USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 730 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 81 LYS NZ :NH3+ -128:sc= 0.259 (180deg=-1.96!) USER MOD Set 1.2: A 85 GLN : amide:sc= 0.664 K(o=0.92,f=-4.7) USER MOD Set 2.1: A 77 ASN : amide:sc= -1.17! C(o=-0.56!,f=-9!) USER MOD Set 2.2: A 78 THR OG1 : rot 9:sc= 0.603 USER MOD Set 3.1: A 26 LYS NZ :NH3+ 143:sc= -1.62 (180deg=-0.306) USER MOD Set 3.2: A 59 HIS : no HE2:sc= -10.9! C(o=-13!,f=-16!) USER MOD Set 4.1: A 21 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 24 LYS NZ :NH3+ -122:sc= -1.25 (180deg=-3.06!) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.114 F(o=-0.69,f=-0.11) USER MOD Single : A 16 MET CE :methyl 167:sc= -0.445 (180deg=-0.49) USER MOD Single : A 27 LYS NZ :NH3+ 149:sc= -0.761 (180deg=-2.27!) USER MOD Single : A 31 SER OG : rot 67:sc= 0.73 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.0476 K(o=-0.048,f=-1.1) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= -1.61! (180deg=-1.61!) USER MOD Single : A 49 HIS : no HE2:sc= 1.15 K(o=1.2,f=-7.5!) USER MOD Single : A 50 LYS NZ :NH3+ -138:sc= 0.869 (180deg=-0.0181) USER MOD Single : A 64 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.24) USER MOD Single : A 69 THR OG1 : rot 79:sc= 0.815 USER MOD Single : A 71 LYS NZ :NH3+ -162:sc= 0.368 (180deg=-0.0616) USER MOD Single : A 72 LYS NZ :NH3+ -160:sc= 0.252 (180deg=-0.241) USER MOD Single : A 74 SER OG : rot -150:sc= -0.414 USER MOD Single : A 86 GLN :FLIP amide:sc= -1.82! C(o=-3.8!,f=-1.8!) USER MOD Single : A 90 GLN : amide:sc= 0.562 K(o=0.56,f=-0.18) USER MOD Single : A 94 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-3.4) USER MOD Single : A 96 LYS NZ :NH3+ 154:sc= 0.396 (180deg=0.232) USER MOD Single : A 99 LYS NZ :NH3+ -134:sc= 0.403 (180deg=-0.893!) USER MOD Single : A 100 GLN : amide:sc= -0.289 K(o=-0.29,f=-3.8!) USER MOD Single : A 107 GLN : amide:sc= -0.0713 K(o=-0.071,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 20.831 -8.347 -14.307 1.00 1.70 N ATOM 2 CA HIS A 10 21.162 -9.518 -15.112 1.00 1.73 C ATOM 3 C HIS A 10 22.307 -10.306 -14.488 1.00 1.58 C ATOM 4 O HIS A 10 22.166 -11.494 -14.197 1.00 1.52 O ATOM 5 CB HIS A 10 21.522 -9.097 -16.543 1.00 2.04 C ATOM 6 CG HIS A 10 21.009 -7.736 -16.909 1.00 2.54 C ATOM 7 ND1 HIS A 10 19.678 -7.449 -17.117 1.00 3.19 N ATOM 8 CD2 HIS A 10 21.675 -6.566 -17.080 1.00 3.29 C ATOM 9 CE1 HIS A 10 19.578 -6.143 -17.400 1.00 4.01 C ATOM 10 NE2 HIS A 10 20.762 -5.560 -17.389 1.00 4.11 N ATOM 0 HA HIS A 10 20.285 -10.165 -15.145 1.00 1.73 H new ATOM 0 HB2 HIS A 10 22.606 -9.111 -16.656 1.00 2.04 H new ATOM 0 HB3 HIS A 10 21.119 -9.830 -17.242 1.00 2.04 H new ATOM 0 HD2 HIS A 10 22.743 -6.435 -16.991 1.00 3.29 H new ATOM 0 HE1 HIS A 10 18.649 -5.634 -17.610 1.00 4.01 H new ATOM 0 HE2 HIS A 10 20.966 -4.577 -17.569 1.00 4.11 H new ATOM 18 N GLN A 11 23.440 -9.642 -14.277 1.00 1.60 N ATOM 19 CA GLN A 11 24.591 -10.297 -13.674 1.00 1.56 C ATOM 20 C GLN A 11 24.235 -10.813 -12.293 1.00 1.29 C ATOM 21 O GLN A 11 24.457 -11.982 -11.980 1.00 1.26 O ATOM 22 CB GLN A 11 25.778 -9.342 -13.565 1.00 1.75 C ATOM 23 CG GLN A 11 26.679 -9.338 -14.791 1.00 2.28 C ATOM 24 CD GLN A 11 25.904 -9.253 -16.093 1.00 3.08 C ATOM 25 OE1 GLN A 11 25.101 -8.208 -16.237 1.00 3.64 O flip ATOM 26 NE2 GLN A 11 26.028 -10.119 -16.959 1.00 3.73 N flip ATOM 0 H GLN A 11 23.583 -8.660 -14.513 1.00 1.60 H new ATOM 0 HA GLN A 11 24.873 -11.130 -14.317 1.00 1.56 H new ATOM 0 HB2 GLN A 11 25.405 -8.332 -13.397 1.00 1.75 H new ATOM 0 HB3 GLN A 11 26.371 -9.613 -12.691 1.00 1.75 H new ATOM 0 HG2 GLN A 11 27.367 -8.495 -14.728 1.00 2.28 H new ATOM 0 HG3 GLN A 11 27.285 -10.244 -14.793 1.00 2.28 H new ATOM 0 HE21 GLN A 11 26.658 -10.907 -16.806 1.00 3.73 H new ATOM 0 HE22 GLN A 11 25.501 -10.049 -17.830 1.00 3.73 H new ATOM 35 N PHE A 12 23.676 -9.938 -11.460 1.00 1.14 N ATOM 36 CA PHE A 12 23.304 -10.334 -10.113 1.00 0.98 C ATOM 37 C PHE A 12 22.478 -11.606 -10.153 1.00 0.94 C ATOM 38 O PHE A 12 22.609 -12.452 -9.282 1.00 0.91 O ATOM 39 CB PHE A 12 22.536 -9.233 -9.386 1.00 0.98 C ATOM 40 CG PHE A 12 22.276 -9.567 -7.942 1.00 0.86 C ATOM 41 CD1 PHE A 12 23.323 -9.712 -7.051 1.00 0.83 C ATOM 42 CD2 PHE A 12 20.980 -9.721 -7.475 1.00 0.86 C ATOM 43 CE1 PHE A 12 23.085 -10.005 -5.724 1.00 0.77 C ATOM 44 CE2 PHE A 12 20.740 -10.014 -6.151 1.00 0.82 C ATOM 45 CZ PHE A 12 21.801 -10.205 -5.286 1.00 0.76 C ATOM 0 H PHE A 12 23.475 -8.966 -11.693 1.00 1.14 H new ATOM 0 HA PHE A 12 24.224 -10.515 -9.558 1.00 0.98 H new ATOM 0 HB2 PHE A 12 23.100 -8.302 -9.444 1.00 0.98 H new ATOM 0 HB3 PHE A 12 21.586 -9.062 -9.893 1.00 0.98 H new ATOM 0 HD1 PHE A 12 24.339 -9.595 -7.398 1.00 0.83 H new ATOM 0 HD2 PHE A 12 20.150 -9.610 -8.157 1.00 0.86 H new ATOM 0 HE1 PHE A 12 23.910 -10.077 -5.030 1.00 0.77 H new ATOM 0 HE2 PHE A 12 19.725 -10.094 -5.790 1.00 0.82 H new ATOM 0 HZ PHE A 12 21.619 -10.511 -4.266 1.00 0.76 H new ATOM 55 N PHE A 13 21.645 -11.757 -11.181 1.00 1.03 N ATOM 56 CA PHE A 13 20.835 -12.959 -11.309 1.00 1.16 C ATOM 57 C PHE A 13 21.733 -14.176 -11.151 1.00 1.12 C ATOM 58 O PHE A 13 21.430 -15.096 -10.388 1.00 1.08 O ATOM 59 CB PHE A 13 20.111 -12.994 -12.659 1.00 1.42 C ATOM 60 CG PHE A 13 18.771 -13.670 -12.592 1.00 1.67 C ATOM 61 CD1 PHE A 13 18.683 -15.039 -12.396 1.00 2.16 C ATOM 62 CD2 PHE A 13 17.601 -12.936 -12.703 1.00 1.91 C ATOM 63 CE1 PHE A 13 17.453 -15.663 -12.313 1.00 2.70 C ATOM 64 CE2 PHE A 13 16.369 -13.556 -12.625 1.00 2.42 C ATOM 65 CZ PHE A 13 16.295 -14.920 -12.428 1.00 2.77 C ATOM 0 H PHE A 13 21.516 -11.071 -11.925 1.00 1.03 H new ATOM 0 HA PHE A 13 20.072 -12.962 -10.530 1.00 1.16 H new ATOM 0 HB2 PHE A 13 19.979 -11.974 -13.020 1.00 1.42 H new ATOM 0 HB3 PHE A 13 20.736 -13.511 -13.387 1.00 1.42 H new ATOM 0 HD1 PHE A 13 19.586 -15.625 -12.307 1.00 2.16 H new ATOM 0 HD2 PHE A 13 17.653 -11.868 -12.852 1.00 1.91 H new ATOM 0 HE1 PHE A 13 17.397 -16.730 -12.158 1.00 2.70 H new ATOM 0 HE2 PHE A 13 15.464 -12.974 -12.718 1.00 2.42 H new ATOM 0 HZ PHE A 13 15.332 -15.406 -12.364 1.00 2.77 H new ATOM 75 N ARG A 14 22.868 -14.151 -11.848 1.00 1.21 N ATOM 76 CA ARG A 14 23.835 -15.233 -11.752 1.00 1.30 C ATOM 77 C ARG A 14 24.337 -15.331 -10.321 1.00 1.14 C ATOM 78 O ARG A 14 24.324 -16.404 -9.730 1.00 1.12 O ATOM 79 CB ARG A 14 25.011 -15.025 -12.716 1.00 1.55 C ATOM 80 CG ARG A 14 25.880 -16.263 -12.895 1.00 1.71 C ATOM 81 CD ARG A 14 25.061 -17.476 -13.323 1.00 2.48 C ATOM 82 NE ARG A 14 24.664 -18.304 -12.184 1.00 2.80 N ATOM 83 CZ ARG A 14 25.524 -18.972 -11.418 1.00 3.53 C ATOM 84 NH1 ARG A 14 26.825 -18.907 -11.665 1.00 3.79 N ATOM 85 NH2 ARG A 14 25.083 -19.705 -10.405 1.00 4.35 N ATOM 0 H ARG A 14 23.136 -13.397 -12.480 1.00 1.21 H new ATOM 0 HA ARG A 14 23.342 -16.163 -12.035 1.00 1.30 H new ATOM 0 HB2 ARG A 14 24.623 -14.720 -13.688 1.00 1.55 H new ATOM 0 HB3 ARG A 14 25.630 -14.207 -12.349 1.00 1.55 H new ATOM 0 HG2 ARG A 14 26.648 -16.062 -13.641 1.00 1.71 H new ATOM 0 HG3 ARG A 14 26.394 -16.484 -11.960 1.00 1.71 H new ATOM 0 HD2 ARG A 14 24.170 -17.142 -13.855 1.00 2.48 H new ATOM 0 HD3 ARG A 14 25.643 -18.077 -14.022 1.00 2.48 H new ATOM 0 HE ARG A 14 23.670 -18.374 -11.964 1.00 2.80 H new ATOM 0 HH11 ARG A 14 27.169 -18.344 -12.443 1.00 3.79 H new ATOM 0 HH12 ARG A 14 27.482 -19.420 -11.077 1.00 3.79 H new ATOM 0 HH21 ARG A 14 24.083 -19.758 -10.211 1.00 4.35 H new ATOM 0 HH22 ARG A 14 25.744 -20.216 -9.820 1.00 4.35 H new ATOM 99 N ASP A 15 24.769 -14.199 -9.763 1.00 1.12 N ATOM 100 CA ASP A 15 25.255 -14.172 -8.381 1.00 1.14 C ATOM 101 C ASP A 15 24.252 -14.856 -7.450 1.00 1.00 C ATOM 102 O ASP A 15 24.610 -15.741 -6.676 1.00 1.05 O ATOM 103 CB ASP A 15 25.489 -12.733 -7.910 1.00 1.29 C ATOM 104 CG ASP A 15 26.458 -11.969 -8.795 1.00 1.49 C ATOM 105 OD1 ASP A 15 26.207 -11.876 -10.013 1.00 1.84 O ATOM 106 OD2 ASP A 15 27.466 -11.458 -8.265 1.00 2.10 O ATOM 0 H ASP A 15 24.793 -13.298 -10.240 1.00 1.12 H new ATOM 0 HA ASP A 15 26.203 -14.710 -8.350 1.00 1.14 H new ATOM 0 HB2 ASP A 15 24.536 -12.205 -7.885 1.00 1.29 H new ATOM 0 HB3 ASP A 15 25.872 -12.748 -6.890 1.00 1.29 H new ATOM 111 N MET A 16 22.990 -14.442 -7.543 1.00 0.93 N ATOM 112 CA MET A 16 21.922 -15.008 -6.725 1.00 0.98 C ATOM 113 C MET A 16 21.935 -16.526 -6.826 1.00 0.88 C ATOM 114 O MET A 16 22.037 -17.230 -5.823 1.00 0.88 O ATOM 115 CB MET A 16 20.561 -14.467 -7.179 1.00 1.15 C ATOM 116 CG MET A 16 20.004 -13.373 -6.282 1.00 1.45 C ATOM 117 SD MET A 16 18.847 -12.294 -7.148 1.00 1.92 S ATOM 118 CE MET A 16 17.662 -11.949 -5.851 1.00 2.23 C ATOM 0 H MET A 16 22.681 -13.710 -8.183 1.00 0.93 H new ATOM 0 HA MET A 16 22.088 -14.719 -5.687 1.00 0.98 H new ATOM 0 HB2 MET A 16 20.655 -14.079 -8.193 1.00 1.15 H new ATOM 0 HB3 MET A 16 19.848 -15.290 -7.217 1.00 1.15 H new ATOM 0 HG2 MET A 16 19.502 -13.828 -5.428 1.00 1.45 H new ATOM 0 HG3 MET A 16 20.827 -12.777 -5.888 1.00 1.45 H new ATOM 0 HE1 MET A 16 17.020 -11.122 -6.155 1.00 2.23 H new ATOM 0 HE2 MET A 16 17.052 -12.834 -5.670 1.00 2.23 H new ATOM 0 HE3 MET A 16 18.191 -11.680 -4.937 1.00 2.23 H new ATOM 128 N ASP A 17 21.837 -17.030 -8.050 1.00 0.91 N ATOM 129 CA ASP A 17 21.850 -18.464 -8.273 1.00 0.97 C ATOM 130 C ASP A 17 23.090 -19.073 -7.642 1.00 0.88 C ATOM 131 O ASP A 17 22.991 -20.027 -6.887 1.00 0.86 O ATOM 132 CB ASP A 17 21.798 -18.776 -9.773 1.00 1.19 C ATOM 133 CG ASP A 17 21.887 -17.530 -10.637 1.00 1.80 C ATOM 134 OD1 ASP A 17 21.021 -16.644 -10.493 1.00 2.46 O ATOM 135 OD2 ASP A 17 22.822 -17.445 -11.459 1.00 2.44 O ATOM 0 H ASP A 17 21.748 -16.468 -8.897 1.00 0.91 H new ATOM 0 HA ASP A 17 20.968 -18.902 -7.806 1.00 0.97 H new ATOM 0 HB2 ASP A 17 22.617 -19.449 -10.028 1.00 1.19 H new ATOM 0 HB3 ASP A 17 20.871 -19.303 -9.998 1.00 1.19 H new ATOM 140 N ASP A 18 24.252 -18.495 -7.928 1.00 0.95 N ATOM 141 CA ASP A 18 25.510 -18.971 -7.361 1.00 1.09 C ATOM 142 C ASP A 18 25.388 -19.127 -5.847 1.00 1.01 C ATOM 143 O ASP A 18 25.827 -20.123 -5.279 1.00 1.05 O ATOM 144 CB ASP A 18 26.650 -17.999 -7.697 1.00 1.33 C ATOM 145 CG ASP A 18 27.523 -18.475 -8.847 1.00 1.90 C ATOM 146 OD1 ASP A 18 27.615 -19.703 -9.062 1.00 2.48 O ATOM 147 OD2 ASP A 18 28.118 -17.618 -9.533 1.00 2.49 O ATOM 0 H ASP A 18 24.349 -17.693 -8.551 1.00 0.95 H new ATOM 0 HA ASP A 18 25.736 -19.944 -7.797 1.00 1.09 H new ATOM 0 HB2 ASP A 18 26.227 -17.026 -7.949 1.00 1.33 H new ATOM 0 HB3 ASP A 18 27.271 -17.857 -6.812 1.00 1.33 H new ATOM 152 N GLU A 19 24.780 -18.130 -5.208 1.00 1.02 N ATOM 153 CA GLU A 19 24.592 -18.131 -3.757 1.00 1.12 C ATOM 154 C GLU A 19 23.995 -19.463 -3.273 1.00 0.89 C ATOM 155 O GLU A 19 24.638 -20.214 -2.532 1.00 0.88 O ATOM 156 CB GLU A 19 23.726 -16.911 -3.365 1.00 1.38 C ATOM 157 CG GLU A 19 22.270 -17.206 -3.025 1.00 2.04 C ATOM 158 CD GLU A 19 21.473 -15.943 -2.763 1.00 2.53 C ATOM 159 OE1 GLU A 19 21.685 -15.316 -1.703 1.00 3.02 O ATOM 160 OE2 GLU A 19 20.636 -15.580 -3.616 1.00 3.07 O ATOM 0 H GLU A 19 24.406 -17.304 -5.676 1.00 1.02 H new ATOM 0 HA GLU A 19 25.557 -18.041 -3.258 1.00 1.12 H new ATOM 0 HB2 GLU A 19 24.187 -16.424 -2.506 1.00 1.38 H new ATOM 0 HB3 GLU A 19 23.749 -16.195 -4.187 1.00 1.38 H new ATOM 0 HG2 GLU A 19 21.812 -17.758 -3.846 1.00 2.04 H new ATOM 0 HG3 GLU A 19 22.228 -17.849 -2.146 1.00 2.04 H new ATOM 167 N GLU A 20 22.796 -19.780 -3.733 1.00 0.84 N ATOM 168 CA GLU A 20 22.156 -21.044 -3.377 1.00 0.84 C ATOM 169 C GLU A 20 22.963 -22.200 -3.945 1.00 0.73 C ATOM 170 O GLU A 20 23.137 -23.235 -3.299 1.00 0.78 O ATOM 171 CB GLU A 20 20.720 -21.092 -3.905 1.00 1.03 C ATOM 172 CG GLU A 20 20.032 -22.436 -3.692 1.00 1.61 C ATOM 173 CD GLU A 20 19.533 -22.626 -2.269 1.00 1.98 C ATOM 174 OE1 GLU A 20 18.435 -22.121 -1.947 1.00 2.49 O ATOM 175 OE2 GLU A 20 20.240 -23.283 -1.477 1.00 2.50 O ATOM 0 H GLU A 20 22.245 -19.185 -4.351 1.00 0.84 H new ATOM 0 HA GLU A 20 22.121 -21.127 -2.291 1.00 0.84 H new ATOM 0 HB2 GLU A 20 20.136 -20.313 -3.414 1.00 1.03 H new ATOM 0 HB3 GLU A 20 20.726 -20.862 -4.970 1.00 1.03 H new ATOM 0 HG2 GLU A 20 19.192 -22.521 -4.381 1.00 1.61 H new ATOM 0 HG3 GLU A 20 20.728 -23.238 -3.938 1.00 1.61 H new ATOM 182 N SER A 21 23.470 -22.005 -5.154 1.00 0.75 N ATOM 183 CA SER A 21 24.278 -23.014 -5.812 1.00 0.89 C ATOM 184 C SER A 21 25.483 -23.358 -4.955 1.00 0.84 C ATOM 185 O SER A 21 25.984 -24.475 -5.013 1.00 0.91 O ATOM 186 CB SER A 21 24.733 -22.536 -7.191 1.00 1.14 C ATOM 187 OG SER A 21 23.954 -23.122 -8.218 1.00 1.59 O ATOM 0 H SER A 21 23.334 -21.153 -5.698 1.00 0.75 H new ATOM 0 HA SER A 21 23.668 -23.907 -5.945 1.00 0.89 H new ATOM 0 HB2 SER A 21 24.655 -21.450 -7.246 1.00 1.14 H new ATOM 0 HB3 SER A 21 25.783 -22.788 -7.338 1.00 1.14 H new ATOM 0 HG SER A 21 24.265 -22.798 -9.089 1.00 1.59 H new ATOM 193 N TRP A 22 25.946 -22.403 -4.141 1.00 0.91 N ATOM 194 CA TRP A 22 27.088 -22.665 -3.285 1.00 1.05 C ATOM 195 C TRP A 22 26.795 -23.852 -2.400 1.00 0.87 C ATOM 196 O TRP A 22 27.528 -24.827 -2.415 1.00 0.92 O ATOM 197 CB TRP A 22 27.460 -21.483 -2.387 1.00 1.38 C ATOM 198 CG TRP A 22 28.527 -21.895 -1.419 1.00 1.53 C ATOM 199 CD1 TRP A 22 28.360 -22.583 -0.255 1.00 2.19 C ATOM 200 CD2 TRP A 22 29.932 -21.700 -1.569 1.00 1.39 C ATOM 201 NE1 TRP A 22 29.579 -22.839 0.318 1.00 2.16 N ATOM 202 CE2 TRP A 22 30.559 -22.299 -0.469 1.00 1.65 C ATOM 203 CE3 TRP A 22 30.715 -21.078 -2.527 1.00 1.73 C ATOM 204 CZ2 TRP A 22 31.940 -22.297 -0.310 1.00 1.79 C ATOM 205 CZ3 TRP A 22 32.085 -21.070 -2.372 1.00 2.24 C ATOM 206 CH2 TRP A 22 32.685 -21.681 -1.269 1.00 2.11 C ATOM 0 H TRP A 22 25.553 -21.465 -4.063 1.00 0.91 H new ATOM 0 HA TRP A 22 27.930 -22.855 -3.950 1.00 1.05 H new ATOM 0 HB2 TRP A 22 27.811 -20.649 -2.995 1.00 1.38 H new ATOM 0 HB3 TRP A 22 26.580 -21.135 -1.846 1.00 1.38 H new ATOM 0 HD1 TRP A 22 27.407 -22.883 0.156 1.00 2.19 H new ATOM 0 HE1 TRP A 22 29.730 -23.349 1.189 1.00 2.16 H new ATOM 0 HE3 TRP A 22 30.259 -20.605 -3.384 1.00 1.73 H new ATOM 0 HZ2 TRP A 22 32.405 -22.767 0.544 1.00 1.79 H new ATOM 0 HZ3 TRP A 22 32.702 -20.585 -3.114 1.00 2.24 H new ATOM 0 HH2 TRP A 22 33.761 -21.665 -1.175 1.00 2.11 H new ATOM 217 N ILE A 23 25.733 -23.752 -1.608 1.00 0.80 N ATOM 218 CA ILE A 23 25.370 -24.837 -0.706 1.00 0.90 C ATOM 219 C ILE A 23 25.463 -26.181 -1.421 1.00 0.87 C ATOM 220 O ILE A 23 26.166 -27.086 -0.978 1.00 0.95 O ATOM 221 CB ILE A 23 23.941 -24.653 -0.139 1.00 1.16 C ATOM 222 CG1 ILE A 23 23.923 -23.555 0.932 1.00 1.34 C ATOM 223 CG2 ILE A 23 23.414 -25.965 0.434 1.00 1.46 C ATOM 224 CD1 ILE A 23 23.278 -22.267 0.466 1.00 1.92 C ATOM 0 H ILE A 23 25.116 -22.941 -1.572 1.00 0.80 H new ATOM 0 HA ILE A 23 26.075 -24.817 0.125 1.00 0.90 H new ATOM 0 HB ILE A 23 23.287 -24.349 -0.957 1.00 1.16 H new ATOM 0 HG12 ILE A 23 23.390 -23.923 1.809 1.00 1.34 H new ATOM 0 HG13 ILE A 23 24.946 -23.347 1.245 1.00 1.34 H new ATOM 0 HG21 ILE A 23 22.409 -25.813 0.827 1.00 1.46 H new ATOM 0 HG22 ILE A 23 23.386 -26.720 -0.352 1.00 1.46 H new ATOM 0 HG23 ILE A 23 24.070 -26.301 1.237 1.00 1.46 H new ATOM 0 HD11 ILE A 23 23.300 -21.536 1.274 1.00 1.92 H new ATOM 0 HD12 ILE A 23 23.825 -21.876 -0.392 1.00 1.92 H new ATOM 0 HD13 ILE A 23 22.244 -22.460 0.180 1.00 1.92 H new ATOM 236 N LYS A 24 24.747 -26.298 -2.528 1.00 0.92 N ATOM 237 CA LYS A 24 24.729 -27.527 -3.315 1.00 1.18 C ATOM 238 C LYS A 24 26.135 -27.974 -3.722 1.00 1.21 C ATOM 239 O LYS A 24 26.521 -29.123 -3.501 1.00 1.38 O ATOM 240 CB LYS A 24 23.867 -27.320 -4.563 1.00 1.40 C ATOM 241 CG LYS A 24 23.594 -28.592 -5.354 1.00 2.00 C ATOM 242 CD LYS A 24 23.334 -28.296 -6.828 1.00 2.68 C ATOM 243 CE LYS A 24 22.268 -27.224 -7.016 1.00 3.24 C ATOM 244 NZ LYS A 24 22.853 -25.857 -7.117 1.00 3.58 N ATOM 0 H LYS A 24 24.165 -25.551 -2.907 1.00 0.92 H new ATOM 0 HA LYS A 24 24.306 -28.315 -2.692 1.00 1.18 H new ATOM 0 HB2 LYS A 24 22.915 -26.881 -4.264 1.00 1.40 H new ATOM 0 HB3 LYS A 24 24.360 -26.599 -5.215 1.00 1.40 H new ATOM 0 HG2 LYS A 24 24.445 -29.267 -5.263 1.00 2.00 H new ATOM 0 HG3 LYS A 24 22.732 -29.107 -4.929 1.00 2.00 H new ATOM 0 HD2 LYS A 24 24.261 -27.972 -7.302 1.00 2.68 H new ATOM 0 HD3 LYS A 24 23.021 -29.211 -7.332 1.00 2.68 H new ATOM 0 HE2 LYS A 24 21.695 -27.439 -7.918 1.00 3.24 H new ATOM 0 HE3 LYS A 24 21.570 -27.257 -6.179 1.00 3.24 H new ATOM 0 HZ1 LYS A 24 22.454 -25.253 -6.371 1.00 3.58 H new ATOM 0 HZ2 LYS A 24 23.885 -25.912 -7.003 1.00 3.58 H new ATOM 0 HZ3 LYS A 24 22.628 -25.451 -8.048 1.00 3.58 H new ATOM 258 N GLU A 25 26.889 -27.066 -4.329 1.00 1.18 N ATOM 259 CA GLU A 25 28.233 -27.362 -4.788 1.00 1.40 C ATOM 260 C GLU A 25 29.186 -27.628 -3.626 1.00 1.37 C ATOM 261 O GLU A 25 30.157 -28.372 -3.767 1.00 1.59 O ATOM 262 CB GLU A 25 28.737 -26.198 -5.640 1.00 1.58 C ATOM 263 CG GLU A 25 28.289 -26.265 -7.095 1.00 2.34 C ATOM 264 CD GLU A 25 26.902 -26.863 -7.257 1.00 2.86 C ATOM 265 OE1 GLU A 25 25.909 -26.115 -7.133 1.00 3.26 O ATOM 266 OE2 GLU A 25 26.807 -28.084 -7.506 1.00 3.45 O ATOM 0 H GLU A 25 26.585 -26.110 -4.514 1.00 1.18 H new ATOM 0 HA GLU A 25 28.201 -28.273 -5.386 1.00 1.40 H new ATOM 0 HB2 GLU A 25 28.387 -25.262 -5.204 1.00 1.58 H new ATOM 0 HB3 GLU A 25 29.826 -26.179 -5.605 1.00 1.58 H new ATOM 0 HG2 GLU A 25 28.299 -25.261 -7.520 1.00 2.34 H new ATOM 0 HG3 GLU A 25 29.004 -26.859 -7.664 1.00 2.34 H new ATOM 273 N LYS A 26 28.898 -27.033 -2.474 1.00 1.19 N ATOM 274 CA LYS A 26 29.727 -27.224 -1.293 1.00 1.29 C ATOM 275 C LYS A 26 29.436 -28.589 -0.679 1.00 1.31 C ATOM 276 O LYS A 26 30.354 -29.320 -0.315 1.00 1.49 O ATOM 277 CB LYS A 26 29.499 -26.091 -0.281 1.00 1.34 C ATOM 278 CG LYS A 26 30.167 -26.320 1.067 1.00 1.63 C ATOM 279 CD LYS A 26 29.142 -26.502 2.178 1.00 2.01 C ATOM 280 CE LYS A 26 29.797 -26.926 3.485 1.00 2.27 C ATOM 281 NZ LYS A 26 31.144 -26.316 3.661 1.00 2.77 N ATOM 0 H LYS A 26 28.098 -26.416 -2.334 1.00 1.19 H new ATOM 0 HA LYS A 26 30.778 -27.193 -1.582 1.00 1.29 H new ATOM 0 HB2 LYS A 26 29.871 -25.159 -0.705 1.00 1.34 H new ATOM 0 HB3 LYS A 26 28.427 -25.966 -0.127 1.00 1.34 H new ATOM 0 HG2 LYS A 26 30.805 -27.202 1.012 1.00 1.63 H new ATOM 0 HG3 LYS A 26 30.813 -25.474 1.302 1.00 1.63 H new ATOM 0 HD2 LYS A 26 28.599 -25.569 2.329 1.00 2.01 H new ATOM 0 HD3 LYS A 26 28.410 -27.252 1.878 1.00 2.01 H new ATOM 0 HE2 LYS A 26 29.158 -26.639 4.320 1.00 2.27 H new ATOM 0 HE3 LYS A 26 29.885 -28.012 3.510 1.00 2.27 H new ATOM 0 HZ1 LYS A 26 31.289 -26.077 4.663 1.00 2.77 H new ATOM 0 HZ2 LYS A 26 31.874 -26.992 3.357 1.00 2.77 H new ATOM 0 HZ3 LYS A 26 31.212 -25.452 3.086 1.00 2.77 H new ATOM 295 N LYS A 27 28.152 -28.948 -0.604 1.00 1.25 N ATOM 296 CA LYS A 27 27.758 -30.245 -0.067 1.00 1.48 C ATOM 297 C LYS A 27 28.475 -31.355 -0.828 1.00 1.65 C ATOM 298 O LYS A 27 28.940 -32.328 -0.238 1.00 1.84 O ATOM 299 CB LYS A 27 26.242 -30.435 -0.172 1.00 1.61 C ATOM 300 CG LYS A 27 25.447 -29.593 0.816 1.00 2.10 C ATOM 301 CD LYS A 27 24.243 -30.349 1.363 1.00 2.50 C ATOM 302 CE LYS A 27 23.237 -30.679 0.268 1.00 3.05 C ATOM 303 NZ LYS A 27 23.606 -31.916 -0.477 1.00 3.62 N ATOM 0 H LYS A 27 27.375 -28.361 -0.907 1.00 1.25 H new ATOM 0 HA LYS A 27 28.039 -30.287 0.985 1.00 1.48 H new ATOM 0 HB2 LYS A 27 25.924 -30.187 -1.185 1.00 1.61 H new ATOM 0 HB3 LYS A 27 26.005 -31.487 -0.012 1.00 1.61 H new ATOM 0 HG2 LYS A 27 26.093 -29.293 1.641 1.00 2.10 H new ATOM 0 HG3 LYS A 27 25.111 -28.679 0.326 1.00 2.10 H new ATOM 0 HD2 LYS A 27 24.578 -31.271 1.839 1.00 2.50 H new ATOM 0 HD3 LYS A 27 23.758 -29.751 2.134 1.00 2.50 H new ATOM 0 HE2 LYS A 27 22.248 -30.804 0.710 1.00 3.05 H new ATOM 0 HE3 LYS A 27 23.172 -29.843 -0.428 1.00 3.05 H new ATOM 0 HZ1 LYS A 27 22.743 -32.395 -0.804 1.00 3.62 H new ATOM 0 HZ2 LYS A 27 24.195 -31.665 -1.297 1.00 3.62 H new ATOM 0 HZ3 LYS A 27 24.139 -32.553 0.150 1.00 3.62 H new ATOM 317 N LEU A 28 28.568 -31.192 -2.147 1.00 1.65 N ATOM 318 CA LEU A 28 29.239 -32.169 -2.995 1.00 1.92 C ATOM 319 C LEU A 28 30.708 -32.286 -2.598 1.00 1.96 C ATOM 320 O LEU A 28 31.239 -33.387 -2.442 1.00 2.16 O ATOM 321 CB LEU A 28 29.117 -31.767 -4.468 1.00 2.05 C ATOM 322 CG LEU A 28 29.854 -32.680 -5.458 1.00 2.51 C ATOM 323 CD1 LEU A 28 28.889 -33.233 -6.498 1.00 3.19 C ATOM 324 CD2 LEU A 28 30.996 -31.931 -6.131 1.00 2.78 C ATOM 0 H LEU A 28 28.186 -30.391 -2.649 1.00 1.65 H new ATOM 0 HA LEU A 28 28.760 -33.139 -2.859 1.00 1.92 H new ATOM 0 HB2 LEU A 28 28.061 -31.745 -4.736 1.00 2.05 H new ATOM 0 HB3 LEU A 28 29.496 -30.752 -4.584 1.00 2.05 H new ATOM 0 HG LEU A 28 30.275 -33.518 -4.902 1.00 2.51 H new ATOM 0 HD11 LEU A 28 29.430 -33.878 -7.190 1.00 3.19 H new ATOM 0 HD12 LEU A 28 28.109 -33.809 -6.000 1.00 3.19 H new ATOM 0 HD13 LEU A 28 28.436 -32.409 -7.049 1.00 3.19 H new ATOM 0 HD21 LEU A 28 31.506 -32.595 -6.829 1.00 2.78 H new ATOM 0 HD22 LEU A 28 30.599 -31.072 -6.672 1.00 2.78 H new ATOM 0 HD23 LEU A 28 31.702 -31.588 -5.375 1.00 2.78 H new ATOM 336 N LEU A 29 31.358 -31.137 -2.425 1.00 1.84 N ATOM 337 CA LEU A 29 32.762 -31.107 -2.030 1.00 2.00 C ATOM 338 C LEU A 29 32.960 -31.898 -0.743 1.00 2.03 C ATOM 339 O LEU A 29 33.878 -32.710 -0.635 1.00 2.24 O ATOM 340 CB LEU A 29 33.231 -29.662 -1.837 1.00 2.00 C ATOM 341 CG LEU A 29 34.744 -29.488 -1.659 1.00 2.43 C ATOM 342 CD1 LEU A 29 35.419 -29.263 -3.004 1.00 3.02 C ATOM 343 CD2 LEU A 29 35.039 -28.335 -0.709 1.00 3.08 C ATOM 0 H LEU A 29 30.935 -30.218 -2.552 1.00 1.84 H new ATOM 0 HA LEU A 29 33.357 -31.563 -2.821 1.00 2.00 H new ATOM 0 HB2 LEU A 29 32.912 -29.075 -2.698 1.00 2.00 H new ATOM 0 HB3 LEU A 29 32.728 -29.247 -0.964 1.00 2.00 H new ATOM 0 HG LEU A 29 35.148 -30.402 -1.224 1.00 2.43 H new ATOM 0 HD11 LEU A 29 36.492 -29.142 -2.857 1.00 3.02 H new ATOM 0 HD12 LEU A 29 35.236 -30.121 -3.651 1.00 3.02 H new ATOM 0 HD13 LEU A 29 35.013 -28.365 -3.469 1.00 3.02 H new ATOM 0 HD21 LEU A 29 36.117 -28.225 -0.594 1.00 3.08 H new ATOM 0 HD22 LEU A 29 34.622 -27.413 -1.115 1.00 3.08 H new ATOM 0 HD23 LEU A 29 34.589 -28.540 0.263 1.00 3.08 H new ATOM 355 N VAL A 30 32.080 -31.660 0.224 1.00 1.90 N ATOM 356 CA VAL A 30 32.139 -32.350 1.508 1.00 2.05 C ATOM 357 C VAL A 30 31.999 -33.857 1.313 1.00 2.27 C ATOM 358 O VAL A 30 32.720 -34.641 1.929 1.00 2.48 O ATOM 359 CB VAL A 30 31.032 -31.854 2.465 1.00 2.03 C ATOM 360 CG1 VAL A 30 31.045 -32.646 3.766 1.00 2.35 C ATOM 361 CG2 VAL A 30 31.185 -30.363 2.737 1.00 2.26 C ATOM 0 H VAL A 30 31.314 -30.991 0.142 1.00 1.90 H new ATOM 0 HA VAL A 30 33.109 -32.129 1.952 1.00 2.05 H new ATOM 0 HB VAL A 30 30.068 -32.015 1.982 1.00 2.03 H new ATOM 0 HG11 VAL A 30 30.257 -32.279 4.423 1.00 2.35 H new ATOM 0 HG12 VAL A 30 30.876 -33.701 3.551 1.00 2.35 H new ATOM 0 HG13 VAL A 30 32.011 -32.526 4.256 1.00 2.35 H new ATOM 0 HG21 VAL A 30 30.396 -30.034 3.413 1.00 2.26 H new ATOM 0 HG22 VAL A 30 32.156 -30.174 3.194 1.00 2.26 H new ATOM 0 HG23 VAL A 30 31.112 -29.813 1.799 1.00 2.26 H new ATOM 371 N SER A 31 31.064 -34.254 0.452 1.00 2.30 N ATOM 372 CA SER A 31 30.832 -35.669 0.172 1.00 2.61 C ATOM 373 C SER A 31 32.132 -36.346 -0.241 1.00 2.74 C ATOM 374 O SER A 31 32.379 -37.503 0.099 1.00 3.01 O ATOM 375 CB SER A 31 29.781 -35.839 -0.927 1.00 2.70 C ATOM 376 OG SER A 31 28.608 -35.098 -0.636 1.00 2.71 O ATOM 0 H SER A 31 30.456 -33.617 -0.063 1.00 2.30 H new ATOM 0 HA SER A 31 30.461 -36.140 1.082 1.00 2.61 H new ATOM 0 HB2 SER A 31 30.193 -35.512 -1.881 1.00 2.70 H new ATOM 0 HB3 SER A 31 29.530 -36.894 -1.033 1.00 2.70 H new ATOM 0 HG SER A 31 28.809 -34.140 -0.673 1.00 2.71 H new ATOM 382 N SER A 32 32.963 -35.608 -0.973 1.00 2.63 N ATOM 383 CA SER A 32 34.248 -36.123 -1.430 1.00 2.85 C ATOM 384 C SER A 32 35.265 -36.096 -0.291 1.00 2.93 C ATOM 385 O SER A 32 35.787 -37.137 0.111 1.00 3.19 O ATOM 386 CB SER A 32 34.754 -35.300 -2.617 1.00 2.84 C ATOM 387 OG SER A 32 33.711 -35.045 -3.543 1.00 3.16 O ATOM 0 H SER A 32 32.767 -34.650 -1.262 1.00 2.63 H new ATOM 0 HA SER A 32 34.117 -37.156 -1.753 1.00 2.85 H new ATOM 0 HB2 SER A 32 35.166 -34.356 -2.260 1.00 2.84 H new ATOM 0 HB3 SER A 32 35.564 -35.834 -3.115 1.00 2.84 H new ATOM 0 HG SER A 32 34.060 -34.516 -4.291 1.00 3.16 H new ATOM 393 N GLU A 33 35.521 -34.895 0.233 1.00 2.79 N ATOM 394 CA GLU A 33 36.460 -34.704 1.338 1.00 2.95 C ATOM 395 C GLU A 33 37.906 -34.858 0.872 1.00 3.13 C ATOM 396 O GLU A 33 38.675 -33.896 0.877 1.00 3.53 O ATOM 397 CB GLU A 33 36.155 -35.684 2.482 1.00 3.57 C ATOM 398 CG GLU A 33 36.332 -35.088 3.872 1.00 3.89 C ATOM 399 CD GLU A 33 35.658 -33.736 4.027 1.00 3.97 C ATOM 400 OE1 GLU A 33 34.415 -33.679 3.942 1.00 4.15 O ATOM 401 OE2 GLU A 33 36.374 -32.734 4.236 1.00 4.37 O ATOM 0 H GLU A 33 35.086 -34.033 -0.095 1.00 2.79 H new ATOM 0 HA GLU A 33 36.335 -33.686 1.708 1.00 2.95 H new ATOM 0 HB2 GLU A 33 35.130 -36.040 2.378 1.00 3.57 H new ATOM 0 HB3 GLU A 33 36.805 -36.553 2.385 1.00 3.57 H new ATOM 0 HG2 GLU A 33 35.925 -35.778 4.612 1.00 3.89 H new ATOM 0 HG3 GLU A 33 37.396 -34.984 4.084 1.00 3.89 H new ATOM 540 N GLN A 43 42.317 -40.184 10.271 1.00 3.28 N ATOM 541 CA GLN A 43 43.170 -39.268 9.522 1.00 3.01 C ATOM 542 C GLN A 43 42.338 -38.440 8.548 1.00 2.82 C ATOM 543 O GLN A 43 42.554 -37.237 8.401 1.00 2.61 O ATOM 544 CB GLN A 43 44.266 -40.033 8.773 1.00 3.07 C ATOM 545 CG GLN A 43 45.676 -39.574 9.115 1.00 3.47 C ATOM 546 CD GLN A 43 45.958 -38.154 8.659 1.00 3.77 C ATOM 547 OE1 GLN A 43 45.546 -37.742 7.575 1.00 4.06 O ATOM 548 NE2 GLN A 43 46.667 -37.396 9.488 1.00 4.24 N ATOM 0 HA GLN A 43 43.649 -38.593 10.231 1.00 3.01 H new ATOM 0 HB2 GLN A 43 44.174 -41.095 8.999 1.00 3.07 H new ATOM 0 HB3 GLN A 43 44.107 -39.921 7.701 1.00 3.07 H new ATOM 0 HG2 GLN A 43 45.824 -39.641 10.193 1.00 3.47 H new ATOM 0 HG3 GLN A 43 46.396 -40.249 8.652 1.00 3.47 H new ATOM 0 HE21 GLN A 43 46.989 -37.777 10.378 1.00 4.24 H new ATOM 0 HE22 GLN A 43 46.889 -36.433 9.235 1.00 4.24 H new ATOM 557 N ASN A 44 41.375 -39.090 7.897 1.00 2.97 N ATOM 558 CA ASN A 44 40.500 -38.409 6.949 1.00 2.93 C ATOM 559 C ASN A 44 39.731 -37.285 7.639 1.00 2.82 C ATOM 560 O ASN A 44 39.665 -36.165 7.136 1.00 2.66 O ATOM 561 CB ASN A 44 39.522 -39.398 6.311 1.00 3.26 C ATOM 562 CG ASN A 44 38.579 -38.732 5.328 1.00 3.37 C ATOM 563 OD1 ASN A 44 37.360 -38.788 5.481 1.00 3.42 O ATOM 564 ND2 ASN A 44 39.141 -38.095 4.306 1.00 3.83 N ATOM 0 H ASN A 44 41.182 -40.085 8.009 1.00 2.97 H new ATOM 0 HA ASN A 44 41.122 -37.977 6.165 1.00 2.93 H new ATOM 0 HB2 ASN A 44 40.083 -40.179 5.798 1.00 3.26 H new ATOM 0 HB3 ASN A 44 38.941 -39.885 7.094 1.00 3.26 H new ATOM 0 HD21 ASN A 44 38.557 -37.629 3.612 1.00 3.83 H new ATOM 0 HD22 ASN A 44 40.157 -38.072 4.216 1.00 3.83 H new ATOM 571 N LEU A 45 39.154 -37.591 8.799 1.00 3.00 N ATOM 572 CA LEU A 45 38.401 -36.601 9.557 1.00 3.01 C ATOM 573 C LEU A 45 39.302 -35.424 9.913 1.00 2.73 C ATOM 574 O LEU A 45 38.944 -34.268 9.697 1.00 2.57 O ATOM 575 CB LEU A 45 37.813 -37.227 10.823 1.00 3.36 C ATOM 576 CG LEU A 45 36.614 -38.154 10.588 1.00 3.84 C ATOM 577 CD1 LEU A 45 36.457 -39.132 11.745 1.00 4.23 C ATOM 578 CD2 LEU A 45 35.340 -37.344 10.390 1.00 4.27 C ATOM 0 H LEU A 45 39.195 -38.514 9.231 1.00 3.00 H new ATOM 0 HA LEU A 45 37.577 -36.240 8.941 1.00 3.01 H new ATOM 0 HB2 LEU A 45 38.596 -37.791 11.329 1.00 3.36 H new ATOM 0 HB3 LEU A 45 37.509 -36.428 11.499 1.00 3.36 H new ATOM 0 HG LEU A 45 36.797 -38.728 9.679 1.00 3.84 H new ATOM 0 HD11 LEU A 45 35.601 -39.781 11.559 1.00 4.23 H new ATOM 0 HD12 LEU A 45 37.359 -39.738 11.834 1.00 4.23 H new ATOM 0 HD13 LEU A 45 36.299 -38.578 12.670 1.00 4.23 H new ATOM 0 HD21 LEU A 45 34.501 -38.020 10.225 1.00 4.27 H new ATOM 0 HD22 LEU A 45 35.151 -36.741 11.278 1.00 4.27 H new ATOM 0 HD23 LEU A 45 35.455 -36.690 9.525 1.00 4.27 H new ATOM 590 N ARG A 46 40.482 -35.728 10.447 1.00 2.73 N ATOM 591 CA ARG A 46 41.441 -34.694 10.813 1.00 2.59 C ATOM 592 C ARG A 46 41.677 -33.758 9.631 1.00 2.28 C ATOM 593 O ARG A 46 41.767 -32.540 9.794 1.00 2.17 O ATOM 594 CB ARG A 46 42.763 -35.326 11.257 1.00 2.76 C ATOM 595 CG ARG A 46 43.683 -34.368 12.002 1.00 2.97 C ATOM 596 CD ARG A 46 43.067 -33.886 13.308 1.00 3.51 C ATOM 597 NE ARG A 46 42.326 -34.942 13.994 1.00 4.06 N ATOM 598 CZ ARG A 46 42.902 -35.943 14.655 1.00 4.80 C ATOM 599 NH1 ARG A 46 44.223 -36.028 14.712 1.00 5.49 N ATOM 600 NH2 ARG A 46 42.157 -36.860 15.259 1.00 5.15 N ATOM 0 H ARG A 46 40.795 -36.680 10.635 1.00 2.73 H new ATOM 0 HA ARG A 46 41.034 -34.119 11.645 1.00 2.59 H new ATOM 0 HB2 ARG A 46 42.549 -36.181 11.898 1.00 2.76 H new ATOM 0 HB3 ARG A 46 43.285 -35.708 10.380 1.00 2.76 H new ATOM 0 HG2 ARG A 46 44.631 -34.864 12.210 1.00 2.97 H new ATOM 0 HG3 ARG A 46 43.904 -33.510 11.367 1.00 2.97 H new ATOM 0 HD2 ARG A 46 43.855 -33.513 13.963 1.00 3.51 H new ATOM 0 HD3 ARG A 46 42.399 -33.049 13.105 1.00 3.51 H new ATOM 0 HE ARG A 46 41.307 -34.910 13.964 1.00 4.06 H new ATOM 0 HH11 ARG A 46 44.800 -35.326 14.249 1.00 5.49 H new ATOM 0 HH12 ARG A 46 44.663 -36.796 15.219 1.00 5.49 H new ATOM 0 HH21 ARG A 46 41.140 -36.799 15.217 1.00 5.15 H new ATOM 0 HH22 ARG A 46 42.602 -37.626 15.765 1.00 5.15 H new ATOM 614 N LYS A 47 41.760 -34.340 8.435 1.00 2.24 N ATOM 615 CA LYS A 47 41.966 -33.559 7.220 1.00 2.12 C ATOM 616 C LYS A 47 40.759 -32.667 6.963 1.00 2.02 C ATOM 617 O LYS A 47 40.904 -31.502 6.597 1.00 1.89 O ATOM 618 CB LYS A 47 42.202 -34.476 6.015 1.00 2.32 C ATOM 619 CG LYS A 47 43.515 -35.244 6.068 1.00 2.70 C ATOM 620 CD LYS A 47 43.406 -36.595 5.369 1.00 3.12 C ATOM 621 CE LYS A 47 44.410 -36.736 4.232 1.00 3.66 C ATOM 622 NZ LYS A 47 43.744 -36.760 2.900 1.00 4.30 N ATOM 0 H LYS A 47 41.688 -35.346 8.284 1.00 2.24 H new ATOM 0 HA LYS A 47 42.851 -32.938 7.359 1.00 2.12 H new ATOM 0 HB2 LYS A 47 41.379 -35.188 5.947 1.00 2.32 H new ATOM 0 HB3 LYS A 47 42.181 -33.876 5.105 1.00 2.32 H new ATOM 0 HG2 LYS A 47 44.301 -34.653 5.598 1.00 2.70 H new ATOM 0 HG3 LYS A 47 43.807 -35.394 7.107 1.00 2.70 H new ATOM 0 HD2 LYS A 47 43.567 -37.392 6.095 1.00 3.12 H new ATOM 0 HD3 LYS A 47 42.396 -36.720 4.978 1.00 3.12 H new ATOM 0 HE2 LYS A 47 45.118 -35.908 4.269 1.00 3.66 H new ATOM 0 HE3 LYS A 47 44.984 -37.653 4.367 1.00 3.66 H new ATOM 0 HZ1 LYS A 47 44.462 -36.857 2.154 1.00 4.30 H new ATOM 0 HZ2 LYS A 47 43.087 -37.565 2.855 1.00 4.30 H new ATOM 0 HZ3 LYS A 47 43.217 -35.875 2.760 1.00 4.30 H new ATOM 636 N LYS A 48 39.565 -33.223 7.165 1.00 2.17 N ATOM 637 CA LYS A 48 38.331 -32.472 6.965 1.00 2.20 C ATOM 638 C LYS A 48 38.332 -31.224 7.835 1.00 2.02 C ATOM 639 O LYS A 48 38.015 -30.132 7.369 1.00 1.90 O ATOM 640 CB LYS A 48 37.109 -33.337 7.289 1.00 2.54 C ATOM 641 CG LYS A 48 35.828 -32.534 7.479 1.00 3.02 C ATOM 642 CD LYS A 48 34.587 -33.355 7.156 1.00 3.19 C ATOM 643 CE LYS A 48 33.441 -32.477 6.672 1.00 3.73 C ATOM 644 NZ LYS A 48 33.865 -31.545 5.589 1.00 4.17 N ATOM 0 H LYS A 48 39.428 -34.188 7.466 1.00 2.17 H new ATOM 0 HA LYS A 48 38.275 -32.177 5.917 1.00 2.20 H new ATOM 0 HB2 LYS A 48 36.961 -34.058 6.485 1.00 2.54 H new ATOM 0 HB3 LYS A 48 37.308 -33.908 8.196 1.00 2.54 H new ATOM 0 HG2 LYS A 48 35.771 -32.181 8.509 1.00 3.02 H new ATOM 0 HG3 LYS A 48 35.855 -31.651 6.840 1.00 3.02 H new ATOM 0 HD2 LYS A 48 34.828 -34.093 6.391 1.00 3.19 H new ATOM 0 HD3 LYS A 48 34.274 -33.906 8.043 1.00 3.19 H new ATOM 0 HE2 LYS A 48 32.630 -33.108 6.309 1.00 3.73 H new ATOM 0 HE3 LYS A 48 33.047 -31.902 7.510 1.00 3.73 H new ATOM 0 HZ1 LYS A 48 33.053 -30.967 5.291 1.00 4.17 H new ATOM 0 HZ2 LYS A 48 34.621 -30.924 5.942 1.00 4.17 H new ATOM 0 HZ3 LYS A 48 34.217 -32.093 4.778 1.00 4.17 H new ATOM 658 N HIS A 49 38.699 -31.394 9.103 1.00 2.10 N ATOM 659 CA HIS A 49 38.750 -30.281 10.046 1.00 2.10 C ATOM 660 C HIS A 49 39.617 -29.151 9.497 1.00 1.82 C ATOM 661 O HIS A 49 39.167 -28.011 9.376 1.00 1.72 O ATOM 662 CB HIS A 49 39.295 -30.749 11.401 1.00 2.37 C ATOM 663 CG HIS A 49 38.328 -31.586 12.179 1.00 2.66 C ATOM 664 ND1 HIS A 49 37.740 -32.731 11.692 1.00 2.97 N ATOM 665 CD2 HIS A 49 37.837 -31.417 13.433 1.00 3.22 C ATOM 666 CE1 HIS A 49 36.926 -33.211 12.640 1.00 3.47 C ATOM 667 NE2 HIS A 49 36.949 -32.451 13.719 1.00 3.60 N ATOM 0 H HIS A 49 38.966 -32.294 9.501 1.00 2.10 H new ATOM 0 HA HIS A 49 37.736 -29.907 10.186 1.00 2.10 H new ATOM 0 HB2 HIS A 49 40.208 -31.321 11.238 1.00 2.37 H new ATOM 0 HB3 HIS A 49 39.567 -29.876 11.995 1.00 2.37 H new ATOM 0 HD1 HIS A 49 37.897 -33.141 10.771 1.00 2.97 H new ATOM 0 HD2 HIS A 49 38.094 -30.609 14.102 1.00 3.22 H new ATOM 0 HE1 HIS A 49 36.328 -34.104 12.536 1.00 3.47 H new ATOM 675 N LYS A 50 40.863 -29.476 9.161 1.00 1.76 N ATOM 676 CA LYS A 50 41.789 -28.487 8.620 1.00 1.67 C ATOM 677 C LYS A 50 41.226 -27.870 7.343 1.00 1.49 C ATOM 678 O LYS A 50 41.404 -26.679 7.085 1.00 1.46 O ATOM 679 CB LYS A 50 43.153 -29.126 8.340 1.00 1.79 C ATOM 680 CG LYS A 50 44.316 -28.145 8.411 1.00 2.13 C ATOM 681 CD LYS A 50 44.579 -27.481 7.065 1.00 2.64 C ATOM 682 CE LYS A 50 44.983 -26.023 7.226 1.00 3.07 C ATOM 683 NZ LYS A 50 43.841 -25.174 7.666 1.00 3.17 N ATOM 0 H LYS A 50 41.253 -30.414 9.254 1.00 1.76 H new ATOM 0 HA LYS A 50 41.919 -27.698 9.361 1.00 1.67 H new ATOM 0 HB2 LYS A 50 43.322 -29.929 9.058 1.00 1.79 H new ATOM 0 HB3 LYS A 50 43.134 -29.582 7.350 1.00 1.79 H new ATOM 0 HG2 LYS A 50 44.102 -27.380 9.158 1.00 2.13 H new ATOM 0 HG3 LYS A 50 45.214 -28.669 8.740 1.00 2.13 H new ATOM 0 HD2 LYS A 50 45.367 -28.021 6.541 1.00 2.64 H new ATOM 0 HD3 LYS A 50 43.683 -27.544 6.447 1.00 2.64 H new ATOM 0 HE2 LYS A 50 45.791 -25.949 7.953 1.00 3.07 H new ATOM 0 HE3 LYS A 50 45.371 -25.647 6.279 1.00 3.07 H new ATOM 0 HZ1 LYS A 50 43.851 -24.278 7.138 1.00 3.17 H new ATOM 0 HZ2 LYS A 50 42.947 -25.673 7.484 1.00 3.17 H new ATOM 0 HZ3 LYS A 50 43.927 -24.977 8.684 1.00 3.17 H new ATOM 697 N ARG A 51 40.539 -28.689 6.556 1.00 1.50 N ATOM 698 CA ARG A 51 39.938 -28.228 5.312 1.00 1.50 C ATOM 699 C ARG A 51 38.768 -27.301 5.607 1.00 1.38 C ATOM 700 O ARG A 51 38.486 -26.378 4.846 1.00 1.27 O ATOM 701 CB ARG A 51 39.467 -29.419 4.473 1.00 1.77 C ATOM 702 CG ARG A 51 39.564 -29.187 2.971 1.00 2.17 C ATOM 703 CD ARG A 51 38.841 -30.273 2.185 1.00 2.52 C ATOM 704 NE ARG A 51 38.623 -31.478 2.983 1.00 2.87 N ATOM 705 CZ ARG A 51 39.522 -32.449 3.127 1.00 3.47 C ATOM 706 NH1 ARG A 51 40.697 -32.375 2.516 1.00 4.13 N ATOM 707 NH2 ARG A 51 39.242 -33.497 3.886 1.00 3.79 N ATOM 0 H ARG A 51 40.384 -29.677 6.758 1.00 1.50 H new ATOM 0 HA ARG A 51 40.690 -27.678 4.746 1.00 1.50 H new ATOM 0 HB2 ARG A 51 40.061 -30.294 4.735 1.00 1.77 H new ATOM 0 HB3 ARG A 51 38.433 -29.647 4.730 1.00 1.77 H new ATOM 0 HG2 ARG A 51 39.138 -28.215 2.725 1.00 2.17 H new ATOM 0 HG3 ARG A 51 40.612 -29.160 2.674 1.00 2.17 H new ATOM 0 HD2 ARG A 51 37.881 -29.890 1.838 1.00 2.52 H new ATOM 0 HD3 ARG A 51 39.423 -30.526 1.299 1.00 2.52 H new ATOM 0 HE ARG A 51 37.727 -31.581 3.459 1.00 2.87 H new ATOM 0 HH11 ARG A 51 40.917 -31.570 1.930 1.00 4.13 H new ATOM 0 HH12 ARG A 51 41.380 -33.124 2.632 1.00 4.13 H new ATOM 0 HH21 ARG A 51 38.340 -33.558 4.358 1.00 3.79 H new ATOM 0 HH22 ARG A 51 39.928 -34.243 3.999 1.00 3.79 H new ATOM 721 N LEU A 52 38.095 -27.551 6.728 1.00 1.51 N ATOM 722 CA LEU A 52 36.959 -26.737 7.140 1.00 1.55 C ATOM 723 C LEU A 52 37.401 -25.297 7.354 1.00 1.33 C ATOM 724 O LEU A 52 36.802 -24.369 6.816 1.00 1.22 O ATOM 725 CB LEU A 52 36.329 -27.298 8.419 1.00 1.88 C ATOM 726 CG LEU A 52 34.817 -27.550 8.344 1.00 2.21 C ATOM 727 CD1 LEU A 52 34.500 -28.606 7.293 1.00 2.58 C ATOM 728 CD2 LEU A 52 34.278 -27.969 9.703 1.00 2.90 C ATOM 0 H LEU A 52 38.319 -28.313 7.367 1.00 1.51 H new ATOM 0 HA LEU A 52 36.208 -26.762 6.351 1.00 1.55 H new ATOM 0 HB2 LEU A 52 36.826 -28.235 8.669 1.00 1.88 H new ATOM 0 HB3 LEU A 52 36.526 -26.605 9.237 1.00 1.88 H new ATOM 0 HG LEU A 52 34.329 -26.620 8.052 1.00 2.21 H new ATOM 0 HD11 LEU A 52 33.423 -28.770 7.255 1.00 2.58 H new ATOM 0 HD12 LEU A 52 34.849 -28.266 6.318 1.00 2.58 H new ATOM 0 HD13 LEU A 52 35.000 -29.539 7.552 1.00 2.58 H new ATOM 0 HD21 LEU A 52 33.204 -28.143 9.631 1.00 2.90 H new ATOM 0 HD22 LEU A 52 34.774 -28.885 10.024 1.00 2.90 H new ATOM 0 HD23 LEU A 52 34.469 -27.179 10.429 1.00 2.90 H new ATOM 740 N GLU A 53 38.468 -25.119 8.128 1.00 1.38 N ATOM 741 CA GLU A 53 39.000 -23.787 8.392 1.00 1.39 C ATOM 742 C GLU A 53 39.210 -23.041 7.078 1.00 1.16 C ATOM 743 O GLU A 53 38.685 -21.943 6.884 1.00 1.13 O ATOM 744 CB GLU A 53 40.317 -23.886 9.173 1.00 1.66 C ATOM 745 CG GLU A 53 41.147 -22.607 9.164 1.00 2.20 C ATOM 746 CD GLU A 53 40.460 -21.463 9.884 1.00 2.62 C ATOM 747 OE1 GLU A 53 40.496 -21.439 11.133 1.00 3.08 O ATOM 748 OE2 GLU A 53 39.879 -20.594 9.200 1.00 3.17 O ATOM 0 H GLU A 53 38.979 -25.877 8.581 1.00 1.38 H new ATOM 0 HA GLU A 53 38.283 -23.232 8.997 1.00 1.39 H new ATOM 0 HB2 GLU A 53 40.095 -24.154 10.206 1.00 1.66 H new ATOM 0 HB3 GLU A 53 40.914 -24.696 8.755 1.00 1.66 H new ATOM 0 HG2 GLU A 53 42.111 -22.800 9.634 1.00 2.20 H new ATOM 0 HG3 GLU A 53 41.347 -22.315 8.133 1.00 2.20 H new ATOM 755 N ALA A 54 39.963 -23.655 6.169 1.00 1.13 N ATOM 756 CA ALA A 54 40.221 -23.058 4.864 1.00 1.16 C ATOM 757 C ALA A 54 38.908 -22.713 4.168 1.00 0.99 C ATOM 758 O ALA A 54 38.729 -21.603 3.662 1.00 1.03 O ATOM 759 CB ALA A 54 41.049 -24.003 4.004 1.00 1.35 C ATOM 0 H ALA A 54 40.404 -24.564 6.313 1.00 1.13 H new ATOM 0 HA ALA A 54 40.786 -22.137 5.008 1.00 1.16 H new ATOM 0 HB1 ALA A 54 41.234 -23.544 3.033 1.00 1.35 H new ATOM 0 HB2 ALA A 54 42.000 -24.204 4.497 1.00 1.35 H new ATOM 0 HB3 ALA A 54 40.507 -24.938 3.866 1.00 1.35 H new ATOM 765 N GLU A 55 37.987 -23.673 4.159 1.00 0.99 N ATOM 766 CA GLU A 55 36.680 -23.482 3.541 1.00 1.06 C ATOM 767 C GLU A 55 36.011 -22.222 4.082 1.00 0.88 C ATOM 768 O GLU A 55 35.550 -21.381 3.316 1.00 0.90 O ATOM 769 CB GLU A 55 35.784 -24.701 3.795 1.00 1.35 C ATOM 770 CG GLU A 55 35.422 -25.469 2.532 1.00 1.84 C ATOM 771 CD GLU A 55 36.474 -25.340 1.447 1.00 1.93 C ATOM 772 OE1 GLU A 55 36.769 -24.198 1.036 1.00 2.60 O ATOM 773 OE2 GLU A 55 37.010 -26.380 1.013 1.00 2.20 O ATOM 0 H GLU A 55 38.124 -24.594 4.575 1.00 0.99 H new ATOM 0 HA GLU A 55 36.824 -23.368 2.467 1.00 1.06 H new ATOM 0 HB2 GLU A 55 36.290 -25.375 4.487 1.00 1.35 H new ATOM 0 HB3 GLU A 55 34.867 -24.371 4.284 1.00 1.35 H new ATOM 0 HG2 GLU A 55 35.287 -26.522 2.778 1.00 1.84 H new ATOM 0 HG3 GLU A 55 34.467 -25.106 2.152 1.00 1.84 H new ATOM 780 N LEU A 56 35.967 -22.101 5.410 1.00 0.90 N ATOM 781 CA LEU A 56 35.359 -20.943 6.060 1.00 0.98 C ATOM 782 C LEU A 56 35.954 -19.645 5.531 1.00 0.91 C ATOM 783 O LEU A 56 35.239 -18.669 5.300 1.00 0.99 O ATOM 784 CB LEU A 56 35.550 -21.030 7.578 1.00 1.26 C ATOM 785 CG LEU A 56 35.004 -19.839 8.376 1.00 2.02 C ATOM 786 CD1 LEU A 56 34.538 -20.289 9.754 1.00 2.67 C ATOM 787 CD2 LEU A 56 36.056 -18.742 8.496 1.00 2.55 C ATOM 0 H LEU A 56 36.347 -22.793 6.056 1.00 0.90 H new ATOM 0 HA LEU A 56 34.293 -20.946 5.833 1.00 0.98 H new ATOM 0 HB2 LEU A 56 35.067 -21.939 7.937 1.00 1.26 H new ATOM 0 HB3 LEU A 56 36.615 -21.130 7.789 1.00 1.26 H new ATOM 0 HG LEU A 56 34.147 -19.431 7.839 1.00 2.02 H new ATOM 0 HD11 LEU A 56 34.154 -19.431 10.306 1.00 2.67 H new ATOM 0 HD12 LEU A 56 33.750 -21.034 9.646 1.00 2.67 H new ATOM 0 HD13 LEU A 56 35.377 -20.724 10.297 1.00 2.67 H new ATOM 0 HD21 LEU A 56 35.648 -17.907 9.065 1.00 2.55 H new ATOM 0 HD22 LEU A 56 36.935 -19.135 9.007 1.00 2.55 H new ATOM 0 HD23 LEU A 56 36.339 -18.399 7.501 1.00 2.55 H new ATOM 799 N ALA A 57 37.269 -19.642 5.347 1.00 0.92 N ATOM 800 CA ALA A 57 37.968 -18.469 4.845 1.00 1.14 C ATOM 801 C ALA A 57 37.450 -18.074 3.467 1.00 1.08 C ATOM 802 O ALA A 57 37.239 -16.897 3.187 1.00 1.22 O ATOM 803 CB ALA A 57 39.464 -18.734 4.800 1.00 1.37 C ATOM 0 H ALA A 57 37.872 -20.442 5.539 1.00 0.92 H new ATOM 0 HA ALA A 57 37.779 -17.637 5.524 1.00 1.14 H new ATOM 0 HB1 ALA A 57 39.979 -17.850 4.423 1.00 1.37 H new ATOM 0 HB2 ALA A 57 39.823 -18.963 5.803 1.00 1.37 H new ATOM 0 HB3 ALA A 57 39.664 -19.579 4.141 1.00 1.37 H new ATOM 809 N ALA A 58 37.251 -19.072 2.612 1.00 1.03 N ATOM 810 CA ALA A 58 36.758 -18.848 1.255 1.00 1.19 C ATOM 811 C ALA A 58 35.242 -18.654 1.237 1.00 1.03 C ATOM 812 O ALA A 58 34.686 -18.108 0.282 1.00 1.17 O ATOM 813 CB ALA A 58 37.142 -20.020 0.368 1.00 1.43 C ATOM 0 H ALA A 58 37.425 -20.052 2.836 1.00 1.03 H new ATOM 0 HA ALA A 58 37.217 -17.936 0.874 1.00 1.19 H new ATOM 0 HB1 ALA A 58 36.772 -19.848 -0.643 1.00 1.43 H new ATOM 0 HB2 ALA A 58 38.227 -20.119 0.345 1.00 1.43 H new ATOM 0 HB3 ALA A 58 36.703 -20.935 0.764 1.00 1.43 H new ATOM 819 N HIS A 59 34.582 -19.121 2.290 1.00 0.87 N ATOM 820 CA HIS A 59 33.136 -19.026 2.407 1.00 0.90 C ATOM 821 C HIS A 59 32.672 -17.581 2.541 1.00 0.80 C ATOM 822 O HIS A 59 31.656 -17.195 1.969 1.00 0.89 O ATOM 823 CB HIS A 59 32.659 -19.824 3.621 1.00 1.13 C ATOM 824 CG HIS A 59 32.340 -21.255 3.324 1.00 1.46 C ATOM 825 ND1 HIS A 59 32.962 -22.320 3.932 1.00 2.16 N ATOM 826 CD2 HIS A 59 31.430 -21.787 2.475 1.00 1.68 C ATOM 827 CE1 HIS A 59 32.424 -23.443 3.445 1.00 2.61 C ATOM 828 NE2 HIS A 59 31.485 -23.178 2.558 1.00 2.36 N ATOM 0 H HIS A 59 35.035 -19.575 3.084 1.00 0.87 H new ATOM 0 HA HIS A 59 32.705 -19.437 1.494 1.00 0.90 H new ATOM 0 HB2 HIS A 59 33.429 -19.787 4.392 1.00 1.13 H new ATOM 0 HB3 HIS A 59 31.772 -19.343 4.033 1.00 1.13 H new ATOM 0 HD1 HIS A 59 33.703 -22.263 4.631 1.00 2.16 H new ATOM 0 HD2 HIS A 59 30.767 -21.224 1.835 1.00 1.68 H new ATOM 0 HE1 HIS A 59 32.720 -24.439 3.740 1.00 2.61 H new ATOM 836 N GLU A 60 33.393 -16.796 3.331 1.00 0.87 N ATOM 837 CA GLU A 60 33.019 -15.406 3.552 1.00 1.09 C ATOM 838 C GLU A 60 33.072 -14.600 2.254 1.00 1.11 C ATOM 839 O GLU A 60 32.060 -14.052 1.827 1.00 1.12 O ATOM 840 CB GLU A 60 33.902 -14.775 4.633 1.00 1.39 C ATOM 841 CG GLU A 60 33.223 -14.695 5.995 1.00 1.92 C ATOM 842 CD GLU A 60 32.675 -16.035 6.459 1.00 2.39 C ATOM 843 OE1 GLU A 60 33.479 -16.887 6.890 1.00 3.01 O ATOM 844 OE2 GLU A 60 31.441 -16.233 6.392 1.00 2.70 O ATOM 0 H GLU A 60 34.233 -17.095 3.826 1.00 0.87 H new ATOM 0 HA GLU A 60 31.987 -15.388 3.903 1.00 1.09 H new ATOM 0 HB2 GLU A 60 34.820 -15.355 4.726 1.00 1.39 H new ATOM 0 HB3 GLU A 60 34.189 -13.772 4.318 1.00 1.39 H new ATOM 0 HG2 GLU A 60 33.937 -14.325 6.731 1.00 1.92 H new ATOM 0 HG3 GLU A 60 32.409 -13.971 5.948 1.00 1.92 H new ATOM 851 N PRO A 61 34.248 -14.504 1.606 1.00 1.23 N ATOM 852 CA PRO A 61 34.393 -13.753 0.355 1.00 1.42 C ATOM 853 C PRO A 61 33.381 -14.184 -0.704 1.00 1.32 C ATOM 854 O PRO A 61 32.802 -13.350 -1.398 1.00 1.44 O ATOM 855 CB PRO A 61 35.814 -14.089 -0.107 1.00 1.60 C ATOM 856 CG PRO A 61 36.540 -14.462 1.138 1.00 1.59 C ATOM 857 CD PRO A 61 35.524 -15.104 2.040 1.00 1.29 C ATOM 0 HA PRO A 61 34.218 -12.687 0.504 1.00 1.42 H new ATOM 0 HB2 PRO A 61 35.813 -14.909 -0.825 1.00 1.60 H new ATOM 0 HB3 PRO A 61 36.283 -13.236 -0.598 1.00 1.60 H new ATOM 0 HG2 PRO A 61 37.357 -15.150 0.921 1.00 1.59 H new ATOM 0 HG3 PRO A 61 36.980 -13.583 1.610 1.00 1.59 H new ATOM 0 HD2 PRO A 61 35.516 -16.188 1.928 1.00 1.29 H new ATOM 0 HD3 PRO A 61 35.730 -14.894 3.090 1.00 1.29 H new ATOM 865 N ALA A 62 33.183 -15.495 -0.829 1.00 1.18 N ATOM 866 CA ALA A 62 32.251 -16.044 -1.812 1.00 1.22 C ATOM 867 C ALA A 62 30.848 -15.465 -1.650 1.00 1.00 C ATOM 868 O ALA A 62 30.316 -14.830 -2.563 1.00 1.06 O ATOM 869 CB ALA A 62 32.210 -17.563 -1.703 1.00 1.31 C ATOM 0 H ALA A 62 33.656 -16.198 -0.261 1.00 1.18 H new ATOM 0 HA ALA A 62 32.610 -15.762 -2.802 1.00 1.22 H new ATOM 0 HB1 ALA A 62 31.513 -17.962 -2.440 1.00 1.31 H new ATOM 0 HB2 ALA A 62 33.205 -17.968 -1.888 1.00 1.31 H new ATOM 0 HB3 ALA A 62 31.883 -17.847 -0.703 1.00 1.31 H new ATOM 875 N ILE A 63 30.254 -15.686 -0.482 1.00 0.82 N ATOM 876 CA ILE A 63 28.910 -15.195 -0.193 1.00 0.73 C ATOM 877 C ILE A 63 28.867 -13.667 -0.202 1.00 0.73 C ATOM 878 O ILE A 63 27.932 -13.067 -0.738 1.00 0.73 O ATOM 879 CB ILE A 63 28.409 -15.743 1.165 1.00 0.79 C ATOM 880 CG1 ILE A 63 28.058 -17.231 1.034 1.00 1.08 C ATOM 881 CG2 ILE A 63 27.201 -14.956 1.668 1.00 0.96 C ATOM 882 CD1 ILE A 63 29.234 -18.165 1.227 1.00 0.67 C ATOM 0 H ILE A 63 30.684 -16.205 0.284 1.00 0.82 H new ATOM 0 HA ILE A 63 28.246 -15.556 -0.979 1.00 0.73 H new ATOM 0 HB ILE A 63 29.211 -15.628 1.894 1.00 0.79 H new ATOM 0 HG12 ILE A 63 27.289 -17.477 1.766 1.00 1.08 H new ATOM 0 HG13 ILE A 63 27.627 -17.406 0.048 1.00 1.08 H new ATOM 0 HG21 ILE A 63 26.873 -15.365 2.624 1.00 0.96 H new ATOM 0 HG22 ILE A 63 27.477 -13.909 1.797 1.00 0.96 H new ATOM 0 HG23 ILE A 63 26.390 -15.031 0.943 1.00 0.96 H new ATOM 0 HD11 ILE A 63 28.901 -19.197 1.118 1.00 0.67 H new ATOM 0 HD12 ILE A 63 29.997 -17.949 0.479 1.00 0.67 H new ATOM 0 HD13 ILE A 63 29.653 -18.022 2.223 1.00 0.67 H new ATOM 894 N GLN A 64 29.884 -13.040 0.381 1.00 0.83 N ATOM 895 CA GLN A 64 29.960 -11.584 0.426 1.00 0.95 C ATOM 896 C GLN A 64 29.879 -11.002 -0.982 1.00 0.95 C ATOM 897 O GLN A 64 29.154 -10.037 -1.222 1.00 0.92 O ATOM 898 CB GLN A 64 31.255 -11.134 1.107 1.00 1.17 C ATOM 899 CG GLN A 64 31.183 -11.148 2.626 1.00 1.62 C ATOM 900 CD GLN A 64 30.198 -10.135 3.177 1.00 2.58 C ATOM 901 OE1 GLN A 64 30.212 -8.966 2.792 1.00 3.24 O ATOM 902 NE2 GLN A 64 29.335 -10.579 4.083 1.00 3.27 N ATOM 0 H GLN A 64 30.667 -13.517 0.829 1.00 0.83 H new ATOM 0 HA GLN A 64 29.114 -11.216 1.007 1.00 0.95 H new ATOM 0 HB2 GLN A 64 32.069 -11.783 0.785 1.00 1.17 H new ATOM 0 HB3 GLN A 64 31.500 -10.126 0.773 1.00 1.17 H new ATOM 0 HG2 GLN A 64 30.898 -12.145 2.963 1.00 1.62 H new ATOM 0 HG3 GLN A 64 32.173 -10.944 3.034 1.00 1.62 H new ATOM 0 HE21 GLN A 64 29.358 -11.556 4.374 1.00 3.27 H new ATOM 0 HE22 GLN A 64 28.649 -9.943 4.488 1.00 3.27 H new ATOM 911 N GLY A 65 30.628 -11.596 -1.911 1.00 1.05 N ATOM 912 CA GLY A 65 30.622 -11.128 -3.283 1.00 1.14 C ATOM 913 C GLY A 65 29.219 -10.882 -3.795 1.00 0.94 C ATOM 914 O GLY A 65 28.936 -9.833 -4.373 1.00 0.94 O ATOM 0 H GLY A 65 31.238 -12.394 -1.734 1.00 1.05 H new ATOM 0 HA2 GLY A 65 31.200 -10.207 -3.354 1.00 1.14 H new ATOM 0 HA3 GLY A 65 31.116 -11.863 -3.918 1.00 1.14 H new ATOM 918 N VAL A 66 28.327 -11.847 -3.572 1.00 0.83 N ATOM 919 CA VAL A 66 26.944 -11.705 -4.016 1.00 0.72 C ATOM 920 C VAL A 66 26.281 -10.532 -3.304 1.00 0.59 C ATOM 921 O VAL A 66 25.706 -9.651 -3.940 1.00 0.56 O ATOM 922 CB VAL A 66 26.125 -12.993 -3.769 1.00 0.77 C ATOM 923 CG1 VAL A 66 24.703 -12.849 -4.303 1.00 1.22 C ATOM 924 CG2 VAL A 66 26.816 -14.195 -4.399 1.00 1.46 C ATOM 0 H VAL A 66 28.535 -12.723 -3.093 1.00 0.83 H new ATOM 0 HA VAL A 66 26.964 -11.520 -5.090 1.00 0.72 H new ATOM 0 HB VAL A 66 26.065 -13.154 -2.693 1.00 0.77 H new ATOM 0 HG11 VAL A 66 24.149 -13.769 -4.116 1.00 1.22 H new ATOM 0 HG12 VAL A 66 24.208 -12.019 -3.800 1.00 1.22 H new ATOM 0 HG13 VAL A 66 24.735 -12.656 -5.375 1.00 1.22 H new ATOM 0 HG21 VAL A 66 26.225 -15.092 -4.215 1.00 1.46 H new ATOM 0 HG22 VAL A 66 26.912 -14.038 -5.473 1.00 1.46 H new ATOM 0 HG23 VAL A 66 27.806 -14.317 -3.960 1.00 1.46 H new ATOM 934 N LEU A 67 26.385 -10.514 -1.978 1.00 0.58 N ATOM 935 CA LEU A 67 25.806 -9.433 -1.185 1.00 0.62 C ATOM 936 C LEU A 67 26.216 -8.078 -1.759 1.00 0.69 C ATOM 937 O LEU A 67 25.366 -7.248 -2.086 1.00 0.71 O ATOM 938 CB LEU A 67 26.242 -9.553 0.283 1.00 0.74 C ATOM 939 CG LEU A 67 25.983 -8.320 1.164 1.00 1.29 C ATOM 940 CD1 LEU A 67 27.081 -7.280 0.977 1.00 1.90 C ATOM 941 CD2 LEU A 67 24.613 -7.715 0.877 1.00 2.13 C ATOM 0 H LEU A 67 26.862 -11.231 -1.432 1.00 0.58 H new ATOM 0 HA LEU A 67 24.720 -9.512 -1.227 1.00 0.62 H new ATOM 0 HB2 LEU A 67 25.728 -10.406 0.726 1.00 0.74 H new ATOM 0 HB3 LEU A 67 27.309 -9.776 0.308 1.00 0.74 H new ATOM 0 HG LEU A 67 25.994 -8.646 2.204 1.00 1.29 H new ATOM 0 HD11 LEU A 67 26.876 -6.417 1.610 1.00 1.90 H new ATOM 0 HD12 LEU A 67 28.043 -7.713 1.253 1.00 1.90 H new ATOM 0 HD13 LEU A 67 27.111 -6.966 -0.066 1.00 1.90 H new ATOM 0 HD21 LEU A 67 24.459 -6.845 1.515 1.00 2.13 H new ATOM 0 HD22 LEU A 67 24.561 -7.412 -0.169 1.00 2.13 H new ATOM 0 HD23 LEU A 67 23.839 -8.455 1.079 1.00 2.13 H new ATOM 953 N ASP A 68 27.523 -7.868 -1.897 1.00 0.79 N ATOM 954 CA ASP A 68 28.041 -6.619 -2.447 1.00 0.94 C ATOM 955 C ASP A 68 27.348 -6.285 -3.764 1.00 0.86 C ATOM 956 O ASP A 68 26.796 -5.197 -3.919 1.00 0.91 O ATOM 957 CB ASP A 68 29.554 -6.698 -2.660 1.00 1.12 C ATOM 958 CG ASP A 68 30.121 -5.401 -3.212 1.00 1.55 C ATOM 959 OD1 ASP A 68 29.874 -4.337 -2.604 1.00 2.04 O ATOM 960 OD2 ASP A 68 30.805 -5.449 -4.256 1.00 2.24 O ATOM 0 H ASP A 68 28.240 -8.545 -1.636 1.00 0.79 H new ATOM 0 HA ASP A 68 27.834 -5.827 -1.727 1.00 0.94 H new ATOM 0 HB2 ASP A 68 30.041 -6.933 -1.714 1.00 1.12 H new ATOM 0 HB3 ASP A 68 29.781 -7.514 -3.346 1.00 1.12 H new ATOM 965 N THR A 69 27.374 -7.227 -4.707 1.00 0.80 N ATOM 966 CA THR A 69 26.735 -7.020 -6.004 1.00 0.80 C ATOM 967 C THR A 69 25.287 -6.579 -5.815 1.00 0.67 C ATOM 968 O THR A 69 24.833 -5.617 -6.435 1.00 0.73 O ATOM 969 CB THR A 69 26.797 -8.300 -6.843 1.00 0.86 C ATOM 970 OG1 THR A 69 28.123 -8.791 -6.904 1.00 1.02 O ATOM 971 CG2 THR A 69 26.314 -8.109 -8.267 1.00 0.94 C ATOM 0 H THR A 69 27.827 -8.134 -4.597 1.00 0.80 H new ATOM 0 HA THR A 69 27.273 -6.234 -6.534 1.00 0.80 H new ATOM 0 HB THR A 69 26.133 -9.006 -6.344 1.00 0.86 H new ATOM 0 HG1 THR A 69 28.333 -9.269 -6.075 1.00 1.02 H new ATOM 0 HG21 THR A 69 26.385 -9.054 -8.805 1.00 0.94 H new ATOM 0 HG22 THR A 69 25.277 -7.774 -8.258 1.00 0.94 H new ATOM 0 HG23 THR A 69 26.933 -7.362 -8.764 1.00 0.94 H new ATOM 979 N GLY A 70 24.562 -7.285 -4.951 1.00 0.57 N ATOM 980 CA GLY A 70 23.179 -6.930 -4.692 1.00 0.59 C ATOM 981 C GLY A 70 23.035 -5.461 -4.359 1.00 0.69 C ATOM 982 O GLY A 70 22.154 -4.778 -4.882 1.00 0.79 O ATOM 0 H GLY A 70 24.906 -8.091 -4.429 1.00 0.57 H new ATOM 0 HA2 GLY A 70 22.572 -7.167 -5.566 1.00 0.59 H new ATOM 0 HA3 GLY A 70 22.797 -7.530 -3.866 1.00 0.59 H new ATOM 986 N LYS A 71 23.913 -4.972 -3.493 1.00 0.76 N ATOM 987 CA LYS A 71 23.893 -3.570 -3.100 1.00 0.94 C ATOM 988 C LYS A 71 24.136 -2.682 -4.317 1.00 0.99 C ATOM 989 O LYS A 71 23.533 -1.619 -4.449 1.00 1.12 O ATOM 990 CB LYS A 71 24.953 -3.298 -2.028 1.00 1.05 C ATOM 991 CG LYS A 71 24.739 -1.994 -1.273 1.00 1.35 C ATOM 992 CD LYS A 71 25.993 -1.570 -0.522 1.00 1.91 C ATOM 993 CE LYS A 71 25.892 -0.134 -0.027 1.00 2.53 C ATOM 994 NZ LYS A 71 25.742 0.830 -1.152 1.00 3.25 N ATOM 0 H LYS A 71 24.647 -5.525 -3.050 1.00 0.76 H new ATOM 0 HA LYS A 71 22.913 -3.340 -2.683 1.00 0.94 H new ATOM 0 HB2 LYS A 71 24.957 -4.123 -1.316 1.00 1.05 H new ATOM 0 HB3 LYS A 71 25.936 -3.278 -2.498 1.00 1.05 H new ATOM 0 HG2 LYS A 71 24.451 -1.210 -1.974 1.00 1.35 H new ATOM 0 HG3 LYS A 71 23.915 -2.111 -0.569 1.00 1.35 H new ATOM 0 HD2 LYS A 71 26.153 -2.237 0.325 1.00 1.91 H new ATOM 0 HD3 LYS A 71 26.860 -1.670 -1.175 1.00 1.91 H new ATOM 0 HE2 LYS A 71 25.041 -0.041 0.647 1.00 2.53 H new ATOM 0 HE3 LYS A 71 26.783 0.115 0.549 1.00 2.53 H new ATOM 0 HZ1 LYS A 71 25.979 1.788 -0.823 1.00 3.25 H new ATOM 0 HZ2 LYS A 71 26.382 0.562 -1.927 1.00 3.25 H new ATOM 0 HZ3 LYS A 71 24.760 0.815 -1.493 1.00 3.25 H new ATOM 1008 N LYS A 72 25.021 -3.132 -5.207 1.00 0.95 N ATOM 1009 CA LYS A 72 25.339 -2.375 -6.417 1.00 1.08 C ATOM 1010 C LYS A 72 24.070 -2.026 -7.184 1.00 1.06 C ATOM 1011 O LYS A 72 23.896 -0.887 -7.610 1.00 1.26 O ATOM 1012 CB LYS A 72 26.303 -3.150 -7.322 1.00 1.14 C ATOM 1013 CG LYS A 72 27.626 -3.499 -6.656 1.00 1.49 C ATOM 1014 CD LYS A 72 28.444 -2.254 -6.340 1.00 2.07 C ATOM 1015 CE LYS A 72 28.960 -2.266 -4.908 1.00 2.89 C ATOM 1016 NZ LYS A 72 27.855 -2.381 -3.914 1.00 3.71 N ATOM 0 H LYS A 72 25.528 -4.012 -5.113 1.00 0.95 H new ATOM 0 HA LYS A 72 25.829 -1.452 -6.107 1.00 1.08 H new ATOM 0 HB2 LYS A 72 25.818 -4.070 -7.650 1.00 1.14 H new ATOM 0 HB3 LYS A 72 26.502 -2.559 -8.216 1.00 1.14 H new ATOM 0 HG2 LYS A 72 27.436 -4.052 -5.736 1.00 1.49 H new ATOM 0 HG3 LYS A 72 28.200 -4.155 -7.310 1.00 1.49 H new ATOM 0 HD2 LYS A 72 29.286 -2.187 -7.029 1.00 2.07 H new ATOM 0 HD3 LYS A 72 27.831 -1.366 -6.498 1.00 2.07 H new ATOM 0 HE2 LYS A 72 29.651 -3.099 -4.779 1.00 2.89 H new ATOM 0 HE3 LYS A 72 29.524 -1.352 -4.719 1.00 2.89 H new ATOM 0 HZ1 LYS A 72 28.188 -2.052 -2.985 1.00 3.71 H new ATOM 0 HZ2 LYS A 72 27.051 -1.797 -4.220 1.00 3.71 H new ATOM 0 HZ3 LYS A 72 27.554 -3.374 -3.843 1.00 3.71 H new ATOM 1030 N LEU A 73 23.182 -3.006 -7.356 1.00 0.89 N ATOM 1031 CA LEU A 73 21.926 -2.776 -8.070 1.00 0.98 C ATOM 1032 C LEU A 73 21.218 -1.550 -7.502 1.00 1.14 C ATOM 1033 O LEU A 73 20.803 -0.656 -8.238 1.00 1.32 O ATOM 1034 CB LEU A 73 20.984 -3.984 -7.966 1.00 0.97 C ATOM 1035 CG LEU A 73 21.643 -5.368 -7.944 1.00 0.92 C ATOM 1036 CD1 LEU A 73 20.650 -6.407 -7.436 1.00 0.96 C ATOM 1037 CD2 LEU A 73 22.156 -5.748 -9.326 1.00 1.52 C ATOM 0 H LEU A 73 23.307 -3.959 -7.014 1.00 0.89 H new ATOM 0 HA LEU A 73 22.174 -2.617 -9.120 1.00 0.98 H new ATOM 0 HB2 LEU A 73 20.389 -3.875 -7.059 1.00 0.97 H new ATOM 0 HB3 LEU A 73 20.292 -3.950 -8.807 1.00 0.97 H new ATOM 0 HG LEU A 73 22.497 -5.335 -7.268 1.00 0.92 H new ATOM 0 HD11 LEU A 73 21.125 -7.388 -7.423 1.00 0.96 H new ATOM 0 HD12 LEU A 73 20.333 -6.144 -6.427 1.00 0.96 H new ATOM 0 HD13 LEU A 73 19.782 -6.433 -8.094 1.00 0.96 H new ATOM 0 HD21 LEU A 73 22.619 -6.734 -9.284 1.00 1.52 H new ATOM 0 HD22 LEU A 73 21.324 -5.768 -10.030 1.00 1.52 H new ATOM 0 HD23 LEU A 73 22.893 -5.015 -9.655 1.00 1.52 H new ATOM 1049 N SER A 74 21.081 -1.526 -6.180 1.00 1.13 N ATOM 1050 CA SER A 74 20.422 -0.421 -5.494 1.00 1.36 C ATOM 1051 C SER A 74 21.177 0.893 -5.697 1.00 1.52 C ATOM 1052 O SER A 74 20.567 1.941 -5.914 1.00 1.76 O ATOM 1053 CB SER A 74 20.297 -0.730 -4.000 1.00 1.37 C ATOM 1054 OG SER A 74 19.066 -0.256 -3.481 1.00 1.67 O ATOM 0 H SER A 74 21.419 -2.263 -5.561 1.00 1.13 H new ATOM 0 HA SER A 74 19.427 -0.305 -5.923 1.00 1.36 H new ATOM 0 HB2 SER A 74 20.372 -1.806 -3.841 1.00 1.37 H new ATOM 0 HB3 SER A 74 21.124 -0.269 -3.460 1.00 1.37 H new ATOM 0 HG SER A 74 19.178 -0.020 -2.537 1.00 1.67 H new ATOM 1060 N ASP A 75 22.504 0.830 -5.608 1.00 1.47 N ATOM 1061 CA ASP A 75 23.348 2.016 -5.761 1.00 1.71 C ATOM 1062 C ASP A 75 23.368 2.525 -7.202 1.00 1.86 C ATOM 1063 O ASP A 75 23.672 3.692 -7.446 1.00 2.14 O ATOM 1064 CB ASP A 75 24.785 1.714 -5.313 1.00 1.72 C ATOM 1065 CG ASP A 75 24.858 0.827 -4.081 1.00 1.79 C ATOM 1066 OD1 ASP A 75 23.976 0.948 -3.204 1.00 2.15 O ATOM 1067 OD2 ASP A 75 25.803 0.011 -3.992 1.00 2.34 O ATOM 0 H ASP A 75 23.020 -0.032 -5.430 1.00 1.47 H new ATOM 0 HA ASP A 75 22.918 2.794 -5.130 1.00 1.71 H new ATOM 0 HB2 ASP A 75 25.319 1.231 -6.131 1.00 1.72 H new ATOM 0 HB3 ASP A 75 25.299 2.653 -5.107 1.00 1.72 H new ATOM 1072 N ASP A 76 23.074 1.644 -8.153 1.00 1.77 N ATOM 1073 CA ASP A 76 23.091 2.013 -9.568 1.00 2.01 C ATOM 1074 C ASP A 76 21.785 2.695 -9.988 1.00 1.98 C ATOM 1075 O ASP A 76 21.807 3.797 -10.538 1.00 2.28 O ATOM 1076 CB ASP A 76 23.392 0.773 -10.429 1.00 2.20 C ATOM 1077 CG ASP A 76 24.785 0.207 -10.233 1.00 2.36 C ATOM 1078 OD1 ASP A 76 25.748 0.791 -10.775 1.00 2.64 O ATOM 1079 OD2 ASP A 76 24.910 -0.832 -9.553 1.00 2.89 O ATOM 0 H ASP A 76 22.822 0.672 -7.973 1.00 1.77 H new ATOM 0 HA ASP A 76 23.886 2.742 -9.727 1.00 2.01 H new ATOM 0 HB2 ASP A 76 22.661 -0.002 -10.199 1.00 2.20 H new ATOM 0 HB3 ASP A 76 23.261 1.033 -11.479 1.00 2.20 H new ATOM 1084 N ASN A 77 20.656 2.046 -9.712 1.00 1.87 N ATOM 1085 CA ASN A 77 19.341 2.595 -10.053 1.00 2.13 C ATOM 1086 C ASN A 77 18.227 1.644 -9.628 1.00 1.92 C ATOM 1087 O ASN A 77 17.136 2.081 -9.258 1.00 2.30 O ATOM 1088 CB ASN A 77 19.227 2.896 -11.557 1.00 3.00 C ATOM 1089 CG ASN A 77 19.471 1.681 -12.431 1.00 3.68 C ATOM 1090 OD1 ASN A 77 18.987 0.587 -12.148 1.00 3.93 O ATOM 1091 ND2 ASN A 77 20.216 1.874 -13.512 1.00 4.42 N ATOM 0 H ASN A 77 20.623 1.136 -9.252 1.00 1.87 H new ATOM 0 HA ASN A 77 19.232 3.533 -9.508 1.00 2.13 H new ATOM 0 HB2 ASN A 77 18.234 3.293 -11.767 1.00 3.00 H new ATOM 0 HB3 ASN A 77 19.943 3.674 -11.820 1.00 3.00 H new ATOM 0 HD21 ASN A 77 20.406 1.098 -14.146 1.00 4.42 H new ATOM 0 HD22 ASN A 77 20.598 2.799 -13.709 1.00 4.42 H new ATOM 1098 N THR A 78 18.511 0.344 -9.672 1.00 2.42 N ATOM 1099 CA THR A 78 17.533 -0.667 -9.282 1.00 3.13 C ATOM 1100 C THR A 78 17.399 -0.725 -7.760 1.00 3.07 C ATOM 1101 O THR A 78 17.802 -1.703 -7.128 1.00 3.33 O ATOM 1102 CB THR A 78 17.938 -2.043 -9.826 1.00 4.02 C ATOM 1103 OG1 THR A 78 18.323 -1.961 -11.188 1.00 4.29 O ATOM 1104 CG2 THR A 78 16.835 -3.077 -9.724 1.00 4.87 C ATOM 0 H THR A 78 19.410 -0.033 -9.974 1.00 2.42 H new ATOM 0 HA THR A 78 16.568 -0.391 -9.708 1.00 3.13 H new ATOM 0 HB THR A 78 18.773 -2.359 -9.201 1.00 4.02 H new ATOM 0 HG1 THR A 78 18.390 -1.020 -11.453 1.00 4.29 H new ATOM 0 HG21 THR A 78 17.188 -4.027 -10.126 1.00 4.87 H new ATOM 0 HG22 THR A 78 16.554 -3.208 -8.679 1.00 4.87 H new ATOM 0 HG23 THR A 78 15.968 -2.742 -10.293 1.00 4.87 H new ATOM 1112 N ILE A 79 16.837 0.334 -7.177 1.00 3.06 N ATOM 1113 CA ILE A 79 16.654 0.408 -5.730 1.00 3.21 C ATOM 1114 C ILE A 79 15.713 -0.689 -5.236 1.00 2.90 C ATOM 1115 O ILE A 79 14.495 -0.509 -5.198 1.00 3.08 O ATOM 1116 CB ILE A 79 16.105 1.785 -5.294 1.00 3.81 C ATOM 1117 CG1 ILE A 79 16.926 2.914 -5.927 1.00 4.11 C ATOM 1118 CG2 ILE A 79 16.113 1.902 -3.774 1.00 4.49 C ATOM 1119 CD1 ILE A 79 16.469 4.300 -5.526 1.00 4.56 C ATOM 0 H ILE A 79 16.501 1.152 -7.686 1.00 3.06 H new ATOM 0 HA ILE A 79 17.638 0.266 -5.282 1.00 3.21 H new ATOM 0 HB ILE A 79 15.076 1.874 -5.641 1.00 3.81 H new ATOM 0 HG12 ILE A 79 17.972 2.791 -5.647 1.00 4.11 H new ATOM 0 HG13 ILE A 79 16.874 2.824 -7.012 1.00 4.11 H new ATOM 0 HG21 ILE A 79 15.724 2.877 -3.482 1.00 4.49 H new ATOM 0 HG22 ILE A 79 15.488 1.119 -3.345 1.00 4.49 H new ATOM 0 HG23 ILE A 79 17.133 1.794 -3.406 1.00 4.49 H new ATOM 0 HD11 ILE A 79 17.097 5.045 -6.013 1.00 4.56 H new ATOM 0 HD12 ILE A 79 15.432 4.444 -5.831 1.00 4.56 H new ATOM 0 HD13 ILE A 79 16.548 4.410 -4.444 1.00 4.56 H new ATOM 1131 N GLY A 80 16.293 -1.824 -4.855 1.00 2.87 N ATOM 1132 CA GLY A 80 15.507 -2.941 -4.360 1.00 2.77 C ATOM 1133 C GLY A 80 16.165 -3.613 -3.172 1.00 2.49 C ATOM 1134 O GLY A 80 16.018 -4.818 -2.969 1.00 2.38 O ATOM 0 H GLY A 80 17.299 -1.990 -4.881 1.00 2.87 H new ATOM 0 HA2 GLY A 80 14.516 -2.589 -4.075 1.00 2.77 H new ATOM 0 HA3 GLY A 80 15.369 -3.670 -5.159 1.00 2.77 H new ATOM 1138 N LYS A 81 16.896 -2.822 -2.390 1.00 2.47 N ATOM 1139 CA LYS A 81 17.604 -3.323 -1.211 1.00 2.30 C ATOM 1140 C LYS A 81 16.772 -4.335 -0.424 1.00 2.13 C ATOM 1141 O LYS A 81 17.192 -5.473 -0.236 1.00 1.92 O ATOM 1142 CB LYS A 81 18.001 -2.156 -0.304 1.00 2.45 C ATOM 1143 CG LYS A 81 18.906 -2.554 0.854 1.00 2.98 C ATOM 1144 CD LYS A 81 18.965 -1.466 1.920 1.00 3.54 C ATOM 1145 CE LYS A 81 18.400 -1.944 3.249 1.00 4.27 C ATOM 1146 NZ LYS A 81 17.019 -2.487 3.109 1.00 4.40 N ATOM 0 H LYS A 81 17.015 -1.822 -2.553 1.00 2.47 H new ATOM 0 HA LYS A 81 18.498 -3.838 -1.562 1.00 2.30 H new ATOM 0 HB2 LYS A 81 18.506 -1.399 -0.903 1.00 2.45 H new ATOM 0 HB3 LYS A 81 17.097 -1.696 0.096 1.00 2.45 H new ATOM 0 HG2 LYS A 81 18.543 -3.480 1.299 1.00 2.98 H new ATOM 0 HG3 LYS A 81 19.910 -2.752 0.480 1.00 2.98 H new ATOM 0 HD2 LYS A 81 19.999 -1.148 2.058 1.00 3.54 H new ATOM 0 HD3 LYS A 81 18.406 -0.594 1.580 1.00 3.54 H new ATOM 0 HE2 LYS A 81 19.051 -2.714 3.663 1.00 4.27 H new ATOM 0 HE3 LYS A 81 18.393 -1.116 3.958 1.00 4.27 H new ATOM 0 HZ1 LYS A 81 16.393 -2.025 3.799 1.00 4.40 H new ATOM 0 HZ2 LYS A 81 16.670 -2.304 2.147 1.00 4.40 H new ATOM 0 HZ3 LYS A 81 17.030 -3.512 3.284 1.00 4.40 H new ATOM 1160 N GLU A 82 15.604 -3.910 0.043 1.00 2.24 N ATOM 1161 CA GLU A 82 14.726 -4.781 0.820 1.00 2.14 C ATOM 1162 C GLU A 82 14.565 -6.144 0.150 1.00 1.94 C ATOM 1163 O GLU A 82 14.770 -7.184 0.779 1.00 1.76 O ATOM 1164 CB GLU A 82 13.358 -4.119 1.014 1.00 2.37 C ATOM 1165 CG GLU A 82 13.218 -3.376 2.338 1.00 2.74 C ATOM 1166 CD GLU A 82 14.188 -2.213 2.486 1.00 2.68 C ATOM 1167 OE1 GLU A 82 14.879 -1.877 1.501 1.00 3.00 O ATOM 1168 OE2 GLU A 82 14.261 -1.643 3.593 1.00 2.89 O ATOM 0 H GLU A 82 15.242 -2.968 -0.102 1.00 2.24 H new ATOM 0 HA GLU A 82 15.185 -4.938 1.796 1.00 2.14 H new ATOM 0 HB2 GLU A 82 13.183 -3.421 0.196 1.00 2.37 H new ATOM 0 HB3 GLU A 82 12.583 -4.883 0.953 1.00 2.37 H new ATOM 0 HG2 GLU A 82 12.198 -3.002 2.430 1.00 2.74 H new ATOM 0 HG3 GLU A 82 13.376 -4.077 3.158 1.00 2.74 H new ATOM 1175 N GLU A 83 14.197 -6.134 -1.128 1.00 2.03 N ATOM 1176 CA GLU A 83 14.013 -7.370 -1.877 1.00 1.94 C ATOM 1177 C GLU A 83 15.255 -8.250 -1.780 1.00 1.73 C ATOM 1178 O GLU A 83 15.162 -9.436 -1.463 1.00 1.57 O ATOM 1179 CB GLU A 83 13.694 -7.067 -3.345 1.00 2.17 C ATOM 1180 CG GLU A 83 13.090 -8.248 -4.100 1.00 2.39 C ATOM 1181 CD GLU A 83 14.128 -9.130 -4.778 1.00 2.51 C ATOM 1182 OE1 GLU A 83 15.340 -8.896 -4.583 1.00 2.93 O ATOM 1183 OE2 GLU A 83 13.725 -10.061 -5.506 1.00 2.94 O ATOM 0 H GLU A 83 14.021 -5.285 -1.665 1.00 2.03 H new ATOM 0 HA GLU A 83 13.172 -7.909 -1.440 1.00 1.94 H new ATOM 0 HB2 GLU A 83 13.002 -6.226 -3.391 1.00 2.17 H new ATOM 0 HB3 GLU A 83 14.609 -6.755 -3.849 1.00 2.17 H new ATOM 0 HG2 GLU A 83 12.508 -8.854 -3.405 1.00 2.39 H new ATOM 0 HG3 GLU A 83 12.397 -7.872 -4.853 1.00 2.39 H new ATOM 1190 N ILE A 84 16.421 -7.665 -2.046 1.00 1.75 N ATOM 1191 CA ILE A 84 17.671 -8.410 -1.978 1.00 1.60 C ATOM 1192 C ILE A 84 17.858 -8.999 -0.586 1.00 1.38 C ATOM 1193 O ILE A 84 18.218 -10.165 -0.435 1.00 1.22 O ATOM 1194 CB ILE A 84 18.885 -7.523 -2.326 1.00 1.73 C ATOM 1195 CG1 ILE A 84 18.751 -6.963 -3.747 1.00 2.03 C ATOM 1196 CG2 ILE A 84 20.183 -8.310 -2.183 1.00 1.57 C ATOM 1197 CD1 ILE A 84 19.368 -5.593 -3.918 1.00 2.47 C ATOM 0 H ILE A 84 16.524 -6.685 -2.308 1.00 1.75 H new ATOM 0 HA ILE A 84 17.612 -9.212 -2.714 1.00 1.60 H new ATOM 0 HB ILE A 84 18.911 -6.687 -1.627 1.00 1.73 H new ATOM 0 HG12 ILE A 84 19.221 -7.654 -4.447 1.00 2.03 H new ATOM 0 HG13 ILE A 84 17.695 -6.912 -4.010 1.00 2.03 H new ATOM 0 HG21 ILE A 84 21.027 -7.668 -2.433 1.00 1.57 H new ATOM 0 HG22 ILE A 84 20.285 -8.660 -1.156 1.00 1.57 H new ATOM 0 HG23 ILE A 84 20.166 -9.166 -2.858 1.00 1.57 H new ATOM 0 HD11 ILE A 84 19.236 -5.260 -4.947 1.00 2.47 H new ATOM 0 HD12 ILE A 84 18.882 -4.888 -3.243 1.00 2.47 H new ATOM 0 HD13 ILE A 84 20.432 -5.642 -3.687 1.00 2.47 H new ATOM 1209 N GLN A 85 17.596 -8.181 0.427 1.00 1.45 N ATOM 1210 CA GLN A 85 17.721 -8.608 1.814 1.00 1.35 C ATOM 1211 C GLN A 85 16.966 -9.910 2.049 1.00 1.19 C ATOM 1212 O GLN A 85 17.492 -10.837 2.656 1.00 1.05 O ATOM 1213 CB GLN A 85 17.194 -7.517 2.752 1.00 1.56 C ATOM 1214 CG GLN A 85 17.980 -7.391 4.048 1.00 1.77 C ATOM 1215 CD GLN A 85 17.585 -6.166 4.853 1.00 2.36 C ATOM 1216 OE1 GLN A 85 17.224 -5.131 4.293 1.00 2.80 O ATOM 1217 NE2 GLN A 85 17.652 -6.278 6.173 1.00 3.13 N ATOM 0 H GLN A 85 17.294 -7.214 0.312 1.00 1.45 H new ATOM 0 HA GLN A 85 18.776 -8.780 2.026 1.00 1.35 H new ATOM 0 HB2 GLN A 85 17.216 -6.560 2.230 1.00 1.56 H new ATOM 0 HB3 GLN A 85 16.151 -7.727 2.989 1.00 1.56 H new ATOM 0 HG2 GLN A 85 17.823 -8.284 4.652 1.00 1.77 H new ATOM 0 HG3 GLN A 85 19.045 -7.344 3.820 1.00 1.77 H new ATOM 0 HE21 GLN A 85 17.957 -7.155 6.596 1.00 3.13 H new ATOM 0 HE22 GLN A 85 17.399 -5.487 6.765 1.00 3.13 H new ATOM 1226 N GLN A 86 15.730 -9.972 1.559 1.00 1.26 N ATOM 1227 CA GLN A 86 14.904 -11.165 1.715 1.00 1.18 C ATOM 1228 C GLN A 86 15.626 -12.405 1.193 1.00 1.03 C ATOM 1229 O GLN A 86 15.775 -13.392 1.914 1.00 0.90 O ATOM 1230 CB GLN A 86 13.566 -10.992 0.988 1.00 1.37 C ATOM 1231 CG GLN A 86 12.534 -12.057 1.337 1.00 1.47 C ATOM 1232 CD GLN A 86 12.887 -13.427 0.786 1.00 2.31 C ATOM 1233 OE1 GLN A 86 13.187 -13.488 -0.507 1.00 2.90 O flip ATOM 1234 NE2 GLN A 86 12.891 -14.420 1.514 1.00 3.09 N flip ATOM 0 H GLN A 86 15.280 -9.211 1.051 1.00 1.26 H new ATOM 0 HA GLN A 86 14.713 -11.301 2.779 1.00 1.18 H new ATOM 0 HB2 GLN A 86 13.157 -10.011 1.228 1.00 1.37 H new ATOM 0 HB3 GLN A 86 13.743 -11.009 -0.087 1.00 1.37 H new ATOM 0 HG2 GLN A 86 12.438 -12.121 2.421 1.00 1.47 H new ATOM 0 HG3 GLN A 86 11.562 -11.754 0.948 1.00 1.47 H new ATOM 0 HE21 GLN A 86 12.654 -14.329 2.502 1.00 3.09 H new ATOM 0 HE22 GLN A 86 13.131 -15.334 1.129 1.00 3.09 H new ATOM 1243 N ARG A 87 16.068 -12.351 -0.060 1.00 1.11 N ATOM 1244 CA ARG A 87 16.769 -13.477 -0.674 1.00 1.09 C ATOM 1245 C ARG A 87 18.070 -13.780 0.063 1.00 0.91 C ATOM 1246 O ARG A 87 18.389 -14.939 0.329 1.00 0.87 O ATOM 1247 CB ARG A 87 17.063 -13.189 -2.149 1.00 1.29 C ATOM 1248 CG ARG A 87 15.848 -13.342 -3.056 1.00 1.78 C ATOM 1249 CD ARG A 87 15.360 -12.000 -3.583 1.00 2.22 C ATOM 1250 NE ARG A 87 14.159 -11.540 -2.888 1.00 2.81 N ATOM 1251 CZ ARG A 87 12.922 -11.872 -3.244 1.00 3.73 C ATOM 1252 NH1 ARG A 87 12.721 -12.675 -4.280 1.00 4.21 N ATOM 1253 NH2 ARG A 87 11.883 -11.404 -2.563 1.00 4.43 N ATOM 0 H ARG A 87 15.954 -11.542 -0.670 1.00 1.11 H new ATOM 0 HA ARG A 87 16.120 -14.350 -0.605 1.00 1.09 H new ATOM 0 HB2 ARG A 87 17.450 -12.174 -2.242 1.00 1.29 H new ATOM 0 HB3 ARG A 87 17.849 -13.862 -2.492 1.00 1.29 H new ATOM 0 HG2 ARG A 87 16.100 -13.991 -3.894 1.00 1.78 H new ATOM 0 HG3 ARG A 87 15.044 -13.830 -2.506 1.00 1.78 H new ATOM 0 HD2 ARG A 87 16.150 -11.258 -3.470 1.00 2.22 H new ATOM 0 HD3 ARG A 87 15.151 -12.084 -4.650 1.00 2.22 H new ATOM 0 HE ARG A 87 14.277 -10.927 -2.081 1.00 2.81 H new ATOM 0 HH11 ARG A 87 13.516 -13.039 -4.805 1.00 4.21 H new ATOM 0 HH12 ARG A 87 11.771 -12.929 -4.552 1.00 4.21 H new ATOM 0 HH21 ARG A 87 12.033 -10.788 -1.764 1.00 4.43 H new ATOM 0 HH22 ARG A 87 10.935 -11.661 -2.839 1.00 4.43 H new ATOM 1267 N LEU A 88 18.825 -12.735 0.383 1.00 0.87 N ATOM 1268 CA LEU A 88 20.090 -12.900 1.081 1.00 0.78 C ATOM 1269 C LEU A 88 19.867 -13.469 2.476 1.00 0.71 C ATOM 1270 O LEU A 88 20.727 -14.162 3.015 1.00 0.67 O ATOM 1271 CB LEU A 88 20.833 -11.567 1.173 1.00 0.86 C ATOM 1272 CG LEU A 88 22.325 -11.685 1.497 1.00 1.04 C ATOM 1273 CD1 LEU A 88 23.112 -12.099 0.262 1.00 1.15 C ATOM 1274 CD2 LEU A 88 22.858 -10.374 2.059 1.00 1.90 C ATOM 0 H LEU A 88 18.582 -11.768 0.170 1.00 0.87 H new ATOM 0 HA LEU A 88 20.699 -13.602 0.511 1.00 0.78 H new ATOM 0 HB2 LEU A 88 20.722 -11.039 0.226 1.00 0.86 H new ATOM 0 HB3 LEU A 88 20.357 -10.954 1.938 1.00 0.86 H new ATOM 0 HG LEU A 88 22.449 -12.458 2.256 1.00 1.04 H new ATOM 0 HD11 LEU A 88 24.170 -12.177 0.514 1.00 1.15 H new ATOM 0 HD12 LEU A 88 22.751 -13.064 -0.093 1.00 1.15 H new ATOM 0 HD13 LEU A 88 22.980 -11.352 -0.521 1.00 1.15 H new ATOM 0 HD21 LEU A 88 23.920 -10.479 2.283 1.00 1.90 H new ATOM 0 HD22 LEU A 88 22.718 -9.580 1.325 1.00 1.90 H new ATOM 0 HD23 LEU A 88 22.318 -10.123 2.972 1.00 1.90 H new ATOM 1286 N ALA A 89 18.707 -13.174 3.060 1.00 0.77 N ATOM 1287 CA ALA A 89 18.383 -13.664 4.392 1.00 0.81 C ATOM 1288 C ALA A 89 18.307 -15.183 4.398 1.00 0.74 C ATOM 1289 O ALA A 89 18.628 -15.823 5.398 1.00 0.77 O ATOM 1290 CB ALA A 89 17.072 -13.060 4.879 1.00 0.97 C ATOM 0 H ALA A 89 17.981 -12.600 2.631 1.00 0.77 H new ATOM 0 HA ALA A 89 19.176 -13.358 5.074 1.00 0.81 H new ATOM 0 HB1 ALA A 89 16.846 -13.438 5.876 1.00 0.97 H new ATOM 0 HB2 ALA A 89 17.162 -11.974 4.914 1.00 0.97 H new ATOM 0 HB3 ALA A 89 16.269 -13.335 4.196 1.00 0.97 H new ATOM 1296 N GLN A 90 17.894 -15.752 3.268 1.00 0.73 N ATOM 1297 CA GLN A 90 17.793 -17.202 3.137 1.00 0.79 C ATOM 1298 C GLN A 90 19.185 -17.824 3.153 1.00 0.73 C ATOM 1299 O GLN A 90 19.444 -18.783 3.880 1.00 0.79 O ATOM 1300 CB GLN A 90 17.054 -17.575 1.846 1.00 0.90 C ATOM 1301 CG GLN A 90 15.683 -16.926 1.715 1.00 1.35 C ATOM 1302 CD GLN A 90 14.952 -16.828 3.041 1.00 1.96 C ATOM 1303 OE1 GLN A 90 14.500 -17.833 3.588 1.00 2.38 O ATOM 1304 NE2 GLN A 90 14.831 -15.613 3.563 1.00 2.72 N ATOM 0 H GLN A 90 17.625 -15.232 2.433 1.00 0.73 H new ATOM 0 HA GLN A 90 17.224 -17.592 3.981 1.00 0.79 H new ATOM 0 HB2 GLN A 90 17.666 -17.286 0.991 1.00 0.90 H new ATOM 0 HB3 GLN A 90 16.939 -18.658 1.804 1.00 0.90 H new ATOM 0 HG2 GLN A 90 15.797 -15.927 1.293 1.00 1.35 H new ATOM 0 HG3 GLN A 90 15.079 -17.501 1.013 1.00 1.35 H new ATOM 0 HE21 GLN A 90 15.221 -14.807 3.075 1.00 2.72 H new ATOM 0 HE22 GLN A 90 14.348 -15.486 4.452 1.00 2.72 H new ATOM 1313 N PHE A 91 20.081 -17.261 2.347 1.00 0.66 N ATOM 1314 CA PHE A 91 21.456 -17.747 2.264 1.00 0.67 C ATOM 1315 C PHE A 91 22.108 -17.698 3.633 1.00 0.67 C ATOM 1316 O PHE A 91 22.687 -18.679 4.089 1.00 0.74 O ATOM 1317 CB PHE A 91 22.256 -16.887 1.277 1.00 0.65 C ATOM 1318 CG PHE A 91 23.494 -17.525 0.693 1.00 0.66 C ATOM 1319 CD1 PHE A 91 23.899 -18.811 1.023 1.00 0.93 C ATOM 1320 CD2 PHE A 91 24.235 -16.825 -0.233 1.00 1.03 C ATOM 1321 CE1 PHE A 91 25.014 -19.366 0.435 1.00 0.92 C ATOM 1322 CE2 PHE A 91 25.339 -17.380 -0.828 1.00 1.19 C ATOM 1323 CZ PHE A 91 25.729 -18.649 -0.496 1.00 0.90 C ATOM 0 H PHE A 91 19.879 -16.466 1.741 1.00 0.66 H new ATOM 0 HA PHE A 91 21.445 -18.779 1.912 1.00 0.67 H new ATOM 0 HB2 PHE A 91 21.597 -16.603 0.457 1.00 0.65 H new ATOM 0 HB3 PHE A 91 22.550 -15.967 1.783 1.00 0.65 H new ATOM 0 HD1 PHE A 91 23.335 -19.381 1.747 1.00 0.93 H new ATOM 0 HD2 PHE A 91 23.941 -15.820 -0.496 1.00 1.03 H new ATOM 0 HE1 PHE A 91 25.327 -20.364 0.705 1.00 0.92 H new ATOM 0 HE2 PHE A 91 25.900 -16.816 -1.558 1.00 1.19 H new ATOM 0 HZ PHE A 91 26.598 -19.087 -0.965 1.00 0.90 H new ATOM 1333 N VAL A 92 22.001 -16.547 4.293 1.00 0.64 N ATOM 1334 CA VAL A 92 22.577 -16.383 5.617 1.00 0.72 C ATOM 1335 C VAL A 92 21.959 -17.386 6.582 1.00 0.77 C ATOM 1336 O VAL A 92 22.662 -18.042 7.342 1.00 0.86 O ATOM 1337 CB VAL A 92 22.377 -14.955 6.168 1.00 0.77 C ATOM 1338 CG1 VAL A 92 23.295 -14.714 7.360 1.00 0.86 C ATOM 1339 CG2 VAL A 92 22.621 -13.910 5.087 1.00 1.37 C ATOM 0 H VAL A 92 21.523 -15.721 3.932 1.00 0.64 H new ATOM 0 HA VAL A 92 23.649 -16.560 5.526 1.00 0.72 H new ATOM 0 HB VAL A 92 21.342 -14.861 6.498 1.00 0.77 H new ATOM 0 HG11 VAL A 92 23.143 -13.703 7.738 1.00 0.86 H new ATOM 0 HG12 VAL A 92 23.067 -15.433 8.146 1.00 0.86 H new ATOM 0 HG13 VAL A 92 24.333 -14.833 7.050 1.00 0.86 H new ATOM 0 HG21 VAL A 92 22.473 -12.914 5.504 1.00 1.37 H new ATOM 0 HG22 VAL A 92 23.642 -14.001 4.717 1.00 1.37 H new ATOM 0 HG23 VAL A 92 21.922 -14.067 4.265 1.00 1.37 H new ATOM 1349 N ASP A 93 20.633 -17.514 6.529 1.00 0.77 N ATOM 1350 CA ASP A 93 19.921 -18.453 7.393 1.00 0.86 C ATOM 1351 C ASP A 93 20.551 -19.839 7.311 1.00 0.91 C ATOM 1352 O ASP A 93 20.891 -20.433 8.328 1.00 1.00 O ATOM 1353 CB ASP A 93 18.434 -18.519 7.019 1.00 0.90 C ATOM 1354 CG ASP A 93 17.785 -19.825 7.445 1.00 1.10 C ATOM 1355 OD1 ASP A 93 17.662 -20.056 8.667 1.00 1.71 O ATOM 1356 OD2 ASP A 93 17.408 -20.618 6.558 1.00 1.55 O ATOM 0 H ASP A 93 20.033 -16.981 5.899 1.00 0.77 H new ATOM 0 HA ASP A 93 20.000 -18.096 8.420 1.00 0.86 H new ATOM 0 HB2 ASP A 93 17.908 -17.686 7.486 1.00 0.90 H new ATOM 0 HB3 ASP A 93 18.328 -18.399 5.941 1.00 0.90 H new ATOM 1361 N HIS A 94 20.730 -20.343 6.100 1.00 0.89 N ATOM 1362 CA HIS A 94 21.343 -21.654 5.920 1.00 0.98 C ATOM 1363 C HIS A 94 22.786 -21.608 6.395 1.00 1.00 C ATOM 1364 O HIS A 94 23.248 -22.477 7.130 1.00 1.12 O ATOM 1365 CB HIS A 94 21.308 -22.051 4.447 1.00 1.00 C ATOM 1366 CG HIS A 94 21.179 -23.524 4.216 1.00 1.35 C ATOM 1367 ND1 HIS A 94 21.830 -24.480 4.962 1.00 2.17 N ATOM 1368 CD2 HIS A 94 20.446 -24.203 3.297 1.00 1.73 C ATOM 1369 CE1 HIS A 94 21.482 -25.683 4.484 1.00 2.46 C ATOM 1370 NE2 HIS A 94 20.642 -25.570 3.475 1.00 2.14 N ATOM 0 H HIS A 94 20.464 -19.872 5.235 1.00 0.89 H new ATOM 0 HA HIS A 94 20.787 -22.389 6.502 1.00 0.98 H new ATOM 0 HB2 HIS A 94 20.473 -21.544 3.964 1.00 1.00 H new ATOM 0 HB3 HIS A 94 22.219 -21.696 3.964 1.00 1.00 H new ATOM 0 HD2 HIS A 94 19.812 -23.754 2.547 1.00 1.73 H new ATOM 0 HE1 HIS A 94 21.843 -26.623 4.875 1.00 2.46 H new ATOM 0 HE2 HIS A 94 20.222 -26.327 2.936 1.00 2.14 H new ATOM 1378 N TRP A 95 23.485 -20.572 5.957 1.00 0.93 N ATOM 1379 CA TRP A 95 24.883 -20.365 6.295 1.00 1.00 C ATOM 1380 C TRP A 95 25.117 -20.368 7.803 1.00 1.06 C ATOM 1381 O TRP A 95 26.143 -20.861 8.273 1.00 1.16 O ATOM 1382 CB TRP A 95 25.353 -19.043 5.689 1.00 0.97 C ATOM 1383 CG TRP A 95 26.818 -18.766 5.848 1.00 1.09 C ATOM 1384 CD1 TRP A 95 27.390 -17.559 6.135 1.00 2.01 C ATOM 1385 CD2 TRP A 95 27.899 -19.701 5.723 1.00 1.04 C ATOM 1386 NE1 TRP A 95 28.754 -17.686 6.188 1.00 1.88 N ATOM 1387 CE2 TRP A 95 29.087 -18.988 5.944 1.00 1.04 C ATOM 1388 CE3 TRP A 95 27.982 -21.070 5.448 1.00 2.03 C ATOM 1389 CZ2 TRP A 95 30.332 -19.591 5.899 1.00 1.13 C ATOM 1390 CZ3 TRP A 95 29.222 -21.667 5.408 1.00 2.64 C ATOM 1391 CH2 TRP A 95 30.384 -20.926 5.632 1.00 2.05 C ATOM 0 H TRP A 95 23.095 -19.848 5.354 1.00 0.93 H new ATOM 0 HA TRP A 95 25.459 -21.193 5.882 1.00 1.00 H new ATOM 0 HB2 TRP A 95 25.110 -19.039 4.626 1.00 0.97 H new ATOM 0 HB3 TRP A 95 24.791 -18.229 6.147 1.00 0.97 H new ATOM 0 HD1 TRP A 95 26.847 -16.639 6.296 1.00 2.01 H new ATOM 0 HE1 TRP A 95 29.413 -16.931 6.379 1.00 1.88 H new ATOM 0 HE3 TRP A 95 27.088 -21.649 5.270 1.00 2.03 H new ATOM 0 HZ2 TRP A 95 31.234 -19.021 6.070 1.00 1.13 H new ATOM 0 HZ3 TRP A 95 29.297 -22.724 5.200 1.00 2.64 H new ATOM 0 HH2 TRP A 95 31.343 -21.421 5.593 1.00 2.05 H new ATOM 1402 N LYS A 96 24.174 -19.815 8.561 1.00 1.03 N ATOM 1403 CA LYS A 96 24.317 -19.766 10.012 1.00 1.12 C ATOM 1404 C LYS A 96 24.312 -21.170 10.607 1.00 1.21 C ATOM 1405 O LYS A 96 25.183 -21.509 11.409 1.00 1.32 O ATOM 1406 CB LYS A 96 23.236 -18.880 10.656 1.00 1.12 C ATOM 1407 CG LYS A 96 21.826 -19.449 10.598 1.00 1.49 C ATOM 1408 CD LYS A 96 21.163 -19.473 11.966 1.00 1.83 C ATOM 1409 CE LYS A 96 19.673 -19.772 11.860 1.00 2.36 C ATOM 1410 NZ LYS A 96 19.378 -20.820 10.841 1.00 2.86 N ATOM 0 H LYS A 96 23.315 -19.400 8.201 1.00 1.03 H new ATOM 0 HA LYS A 96 25.282 -19.311 10.235 1.00 1.12 H new ATOM 0 HB2 LYS A 96 23.501 -18.709 11.699 1.00 1.12 H new ATOM 0 HB3 LYS A 96 23.241 -17.908 10.162 1.00 1.12 H new ATOM 0 HG2 LYS A 96 21.223 -18.853 9.913 1.00 1.49 H new ATOM 0 HG3 LYS A 96 21.860 -20.461 10.194 1.00 1.49 H new ATOM 0 HD2 LYS A 96 21.643 -20.227 12.591 1.00 1.83 H new ATOM 0 HD3 LYS A 96 21.308 -18.511 12.458 1.00 1.83 H new ATOM 0 HE2 LYS A 96 19.300 -20.097 12.831 1.00 2.36 H new ATOM 0 HE3 LYS A 96 19.138 -18.858 11.603 1.00 2.36 H new ATOM 0 HZ1 LYS A 96 18.489 -21.301 11.085 1.00 2.86 H new ATOM 0 HZ2 LYS A 96 19.286 -20.377 9.904 1.00 2.86 H new ATOM 0 HZ3 LYS A 96 20.153 -21.513 10.822 1.00 2.86 H new ATOM 1424 N GLU A 97 23.354 -21.999 10.198 1.00 1.20 N ATOM 1425 CA GLU A 97 23.288 -23.362 10.700 1.00 1.32 C ATOM 1426 C GLU A 97 24.552 -24.119 10.307 1.00 1.36 C ATOM 1427 O GLU A 97 25.069 -24.929 11.074 1.00 1.47 O ATOM 1428 CB GLU A 97 22.029 -24.070 10.178 1.00 1.36 C ATOM 1429 CG GLU A 97 22.222 -24.819 8.865 1.00 1.86 C ATOM 1430 CD GLU A 97 20.962 -24.866 8.016 1.00 2.35 C ATOM 1431 OE1 GLU A 97 20.129 -23.939 8.124 1.00 2.68 O ATOM 1432 OE2 GLU A 97 20.812 -25.827 7.235 1.00 3.03 O ATOM 0 H GLU A 97 22.624 -21.752 9.530 1.00 1.20 H new ATOM 0 HA GLU A 97 23.225 -23.339 11.788 1.00 1.32 H new ATOM 0 HB2 GLU A 97 21.683 -24.774 10.935 1.00 1.36 H new ATOM 0 HB3 GLU A 97 21.240 -23.330 10.047 1.00 1.36 H new ATOM 0 HG2 GLU A 97 23.020 -24.342 8.295 1.00 1.86 H new ATOM 0 HG3 GLU A 97 22.548 -25.837 9.079 1.00 1.86 H new ATOM 1439 N LEU A 98 25.056 -23.824 9.111 1.00 1.31 N ATOM 1440 CA LEU A 98 26.272 -24.457 8.611 1.00 1.37 C ATOM 1441 C LEU A 98 27.449 -24.133 9.519 1.00 1.42 C ATOM 1442 O LEU A 98 28.108 -25.033 10.037 1.00 1.54 O ATOM 1443 CB LEU A 98 26.569 -23.991 7.182 1.00 1.31 C ATOM 1444 CG LEU A 98 26.242 -25.006 6.082 1.00 1.61 C ATOM 1445 CD1 LEU A 98 24.737 -25.197 5.962 1.00 2.38 C ATOM 1446 CD2 LEU A 98 26.835 -24.564 4.752 1.00 2.07 C ATOM 0 H LEU A 98 24.639 -23.149 8.470 1.00 1.31 H new ATOM 0 HA LEU A 98 26.120 -25.536 8.603 1.00 1.37 H new ATOM 0 HB2 LEU A 98 26.005 -23.078 6.990 1.00 1.31 H new ATOM 0 HB3 LEU A 98 27.626 -23.733 7.114 1.00 1.31 H new ATOM 0 HG LEU A 98 26.688 -25.963 6.354 1.00 1.61 H new ATOM 0 HD11 LEU A 98 24.524 -25.921 5.176 1.00 2.38 H new ATOM 0 HD12 LEU A 98 24.340 -25.562 6.909 1.00 2.38 H new ATOM 0 HD13 LEU A 98 24.268 -24.245 5.715 1.00 2.38 H new ATOM 0 HD21 LEU A 98 26.592 -25.298 3.983 1.00 2.07 H new ATOM 0 HD22 LEU A 98 26.421 -23.595 4.473 1.00 2.07 H new ATOM 0 HD23 LEU A 98 27.918 -24.482 4.846 1.00 2.07 H new ATOM 1458 N LYS A 99 27.704 -22.843 9.716 1.00 1.38 N ATOM 1459 CA LYS A 99 28.797 -22.409 10.573 1.00 1.47 C ATOM 1460 C LYS A 99 28.679 -23.077 11.939 1.00 1.60 C ATOM 1461 O LYS A 99 29.649 -23.627 12.458 1.00 1.74 O ATOM 1462 CB LYS A 99 28.798 -20.882 10.711 1.00 1.45 C ATOM 1463 CG LYS A 99 30.034 -20.220 10.119 1.00 1.90 C ATOM 1464 CD LYS A 99 30.097 -18.735 10.453 1.00 2.41 C ATOM 1465 CE LYS A 99 30.405 -17.894 9.224 1.00 3.14 C ATOM 1466 NZ LYS A 99 31.658 -18.330 8.547 1.00 4.07 N ATOM 0 H LYS A 99 27.169 -22.084 9.294 1.00 1.38 H new ATOM 0 HA LYS A 99 29.743 -22.706 10.120 1.00 1.47 H new ATOM 0 HB2 LYS A 99 27.911 -20.480 10.222 1.00 1.45 H new ATOM 0 HB3 LYS A 99 28.726 -20.620 11.767 1.00 1.45 H new ATOM 0 HG2 LYS A 99 30.928 -20.716 10.497 1.00 1.90 H new ATOM 0 HG3 LYS A 99 30.032 -20.349 9.037 1.00 1.90 H new ATOM 0 HD2 LYS A 99 29.146 -18.418 10.882 1.00 2.41 H new ATOM 0 HD3 LYS A 99 30.861 -18.565 11.211 1.00 2.41 H new ATOM 0 HE2 LYS A 99 29.573 -17.959 8.523 1.00 3.14 H new ATOM 0 HE3 LYS A 99 30.496 -16.847 9.515 1.00 3.14 H new ATOM 0 HZ1 LYS A 99 32.238 -17.497 8.320 1.00 4.07 H new ATOM 0 HZ2 LYS A 99 32.191 -18.962 9.178 1.00 4.07 H new ATOM 0 HZ3 LYS A 99 31.421 -18.836 7.670 1.00 4.07 H new ATOM 1480 N GLN A 100 27.471 -23.055 12.502 1.00 1.58 N ATOM 1481 CA GLN A 100 27.219 -23.682 13.793 1.00 1.72 C ATOM 1482 C GLN A 100 27.640 -25.151 13.762 1.00 1.81 C ATOM 1483 O GLN A 100 28.452 -25.590 14.576 1.00 1.95 O ATOM 1484 CB GLN A 100 25.734 -23.564 14.157 1.00 1.71 C ATOM 1485 CG GLN A 100 25.356 -24.279 15.447 1.00 1.93 C ATOM 1486 CD GLN A 100 25.802 -23.533 16.691 1.00 2.66 C ATOM 1487 OE1 GLN A 100 26.745 -22.741 16.652 1.00 3.23 O ATOM 1488 NE2 GLN A 100 25.126 -23.785 17.805 1.00 3.33 N ATOM 0 H GLN A 100 26.655 -22.610 12.083 1.00 1.58 H new ATOM 0 HA GLN A 100 27.809 -23.167 14.552 1.00 1.72 H new ATOM 0 HB2 GLN A 100 25.475 -22.509 14.249 1.00 1.71 H new ATOM 0 HB3 GLN A 100 25.137 -23.969 13.340 1.00 1.71 H new ATOM 0 HG2 GLN A 100 24.275 -24.413 15.478 1.00 1.93 H new ATOM 0 HG3 GLN A 100 25.800 -25.274 15.448 1.00 1.93 H new ATOM 0 HE21 GLN A 100 24.351 -24.448 17.792 1.00 3.33 H new ATOM 0 HE22 GLN A 100 25.381 -23.315 18.674 1.00 3.33 H new ATOM 1497 N LEU A 101 27.089 -25.906 12.811 1.00 1.77 N ATOM 1498 CA LEU A 101 27.419 -27.321 12.671 1.00 1.89 C ATOM 1499 C LEU A 101 28.932 -27.515 12.631 1.00 1.96 C ATOM 1500 O LEU A 101 29.475 -28.383 13.314 1.00 2.12 O ATOM 1501 CB LEU A 101 26.781 -27.896 11.401 1.00 1.86 C ATOM 1502 CG LEU A 101 26.189 -29.302 11.552 1.00 2.09 C ATOM 1503 CD1 LEU A 101 25.232 -29.607 10.407 1.00 2.59 C ATOM 1504 CD2 LEU A 101 27.298 -30.342 11.615 1.00 2.56 C ATOM 0 H LEU A 101 26.414 -25.561 12.129 1.00 1.77 H new ATOM 0 HA LEU A 101 27.021 -27.853 13.535 1.00 1.89 H new ATOM 0 HB2 LEU A 101 25.992 -27.220 11.071 1.00 1.86 H new ATOM 0 HB3 LEU A 101 27.533 -27.918 10.613 1.00 1.86 H new ATOM 0 HG LEU A 101 25.627 -29.341 12.485 1.00 2.09 H new ATOM 0 HD11 LEU A 101 24.822 -30.609 10.532 1.00 2.59 H new ATOM 0 HD12 LEU A 101 24.420 -28.880 10.408 1.00 2.59 H new ATOM 0 HD13 LEU A 101 25.768 -29.550 9.460 1.00 2.59 H new ATOM 0 HD21 LEU A 101 26.860 -31.335 11.722 1.00 2.56 H new ATOM 0 HD22 LEU A 101 27.887 -30.302 10.699 1.00 2.56 H new ATOM 0 HD23 LEU A 101 27.942 -30.135 12.469 1.00 2.56 H new ATOM 1516 N ALA A 102 29.606 -26.696 11.828 1.00 1.86 N ATOM 1517 CA ALA A 102 31.058 -26.768 11.701 1.00 1.95 C ATOM 1518 C ALA A 102 31.723 -26.651 13.068 1.00 2.09 C ATOM 1519 O ALA A 102 32.559 -27.477 13.436 1.00 2.24 O ATOM 1520 CB ALA A 102 31.561 -25.678 10.766 1.00 1.85 C ATOM 0 H ALA A 102 29.169 -25.974 11.255 1.00 1.86 H new ATOM 0 HA ALA A 102 31.321 -27.737 11.276 1.00 1.95 H new ATOM 0 HB1 ALA A 102 32.646 -25.744 10.681 1.00 1.85 H new ATOM 0 HB2 ALA A 102 31.111 -25.807 9.782 1.00 1.85 H new ATOM 0 HB3 ALA A 102 31.287 -24.701 11.165 1.00 1.85 H new ATOM 1526 N ALA A 103 31.340 -25.620 13.817 1.00 2.07 N ATOM 1527 CA ALA A 103 31.890 -25.393 15.150 1.00 2.24 C ATOM 1528 C ALA A 103 31.730 -26.634 16.021 1.00 2.38 C ATOM 1529 O ALA A 103 32.669 -27.059 16.695 1.00 2.56 O ATOM 1530 CB ALA A 103 31.218 -24.192 15.802 1.00 2.21 C ATOM 0 H ALA A 103 30.650 -24.928 13.523 1.00 2.07 H new ATOM 0 HA ALA A 103 32.955 -25.184 15.050 1.00 2.24 H new ATOM 0 HB1 ALA A 103 31.638 -24.035 16.795 1.00 2.21 H new ATOM 0 HB2 ALA A 103 31.387 -23.305 15.192 1.00 2.21 H new ATOM 0 HB3 ALA A 103 30.147 -24.376 15.886 1.00 2.21 H new ATOM 1536 N ALA A 104 30.530 -27.211 16.003 1.00 2.34 N ATOM 1537 CA ALA A 104 30.244 -28.409 16.785 1.00 2.50 C ATOM 1538 C ALA A 104 31.192 -29.540 16.402 1.00 2.58 C ATOM 1539 O ALA A 104 31.748 -30.220 17.265 1.00 2.74 O ATOM 1540 CB ALA A 104 28.797 -28.836 16.589 1.00 2.48 C ATOM 0 H ALA A 104 29.741 -26.867 15.455 1.00 2.34 H new ATOM 0 HA ALA A 104 30.397 -28.177 17.839 1.00 2.50 H new ATOM 0 HB1 ALA A 104 28.599 -29.731 17.179 1.00 2.48 H new ATOM 0 HB2 ALA A 104 28.134 -28.034 16.913 1.00 2.48 H new ATOM 0 HB3 ALA A 104 28.620 -29.049 15.535 1.00 2.48 H new ATOM 1546 N ARG A 105 31.373 -29.733 15.099 1.00 2.50 N ATOM 1547 CA ARG A 105 32.259 -30.776 14.594 1.00 2.60 C ATOM 1548 C ARG A 105 33.665 -30.603 15.162 1.00 2.72 C ATOM 1549 O ARG A 105 34.294 -31.565 15.604 1.00 2.88 O ATOM 1550 CB ARG A 105 32.297 -30.743 13.061 1.00 2.49 C ATOM 1551 CG ARG A 105 31.602 -31.929 12.403 1.00 2.62 C ATOM 1552 CD ARG A 105 32.594 -33.004 11.981 1.00 2.76 C ATOM 1553 NE ARG A 105 33.690 -33.151 12.938 1.00 3.19 N ATOM 1554 CZ ARG A 105 33.659 -33.964 13.989 1.00 3.86 C ATOM 1555 NH1 ARG A 105 32.594 -34.719 14.227 1.00 4.39 N ATOM 1556 NH2 ARG A 105 34.701 -34.022 14.801 1.00 4.42 N ATOM 0 H ARG A 105 30.917 -29.180 14.373 1.00 2.50 H new ATOM 0 HA ARG A 105 31.873 -31.744 14.914 1.00 2.60 H new ATOM 0 HB2 ARG A 105 31.829 -29.822 12.715 1.00 2.49 H new ATOM 0 HB3 ARG A 105 33.336 -30.715 12.733 1.00 2.49 H new ATOM 0 HG2 ARG A 105 30.877 -32.356 13.096 1.00 2.62 H new ATOM 0 HG3 ARG A 105 31.045 -31.586 11.531 1.00 2.62 H new ATOM 0 HD2 ARG A 105 32.073 -33.956 11.878 1.00 2.76 H new ATOM 0 HD3 ARG A 105 33.001 -32.756 11.001 1.00 2.76 H new ATOM 0 HE ARG A 105 34.532 -32.594 12.789 1.00 3.19 H new ATOM 0 HH11 ARG A 105 31.790 -34.678 13.601 1.00 4.39 H new ATOM 0 HH12 ARG A 105 32.580 -35.340 15.036 1.00 4.39 H new ATOM 0 HH21 ARG A 105 35.522 -33.445 14.619 1.00 4.42 H new ATOM 0 HH22 ARG A 105 34.684 -34.644 15.609 1.00 4.42 H new ATOM 1570 N GLY A 106 34.149 -29.364 15.152 1.00 2.67 N ATOM 1571 CA GLY A 106 35.476 -29.075 15.668 1.00 2.83 C ATOM 1572 C GLY A 106 35.566 -29.251 17.172 1.00 3.06 C ATOM 1573 O GLY A 106 36.620 -29.612 17.697 1.00 3.27 O ATOM 0 H GLY A 106 33.644 -28.553 14.795 1.00 2.67 H new ATOM 0 HA2 GLY A 106 36.201 -29.730 15.185 1.00 2.83 H new ATOM 0 HA3 GLY A 106 35.748 -28.052 15.408 1.00 2.83 H new ATOM 1577 N GLN A 107 34.462 -28.987 17.867 1.00 3.06 N ATOM 1578 CA GLN A 107 34.425 -29.116 19.321 1.00 3.32 C ATOM 1579 C GLN A 107 34.754 -30.544 19.740 1.00 3.48 C ATOM 1580 O GLN A 107 35.609 -30.769 20.598 1.00 3.75 O ATOM 1581 CB GLN A 107 33.048 -28.712 19.857 1.00 3.32 C ATOM 1582 CG GLN A 107 32.953 -28.725 21.376 1.00 3.59 C ATOM 1583 CD GLN A 107 32.156 -29.903 21.904 1.00 3.56 C ATOM 1584 OE1 GLN A 107 32.303 -31.031 21.433 1.00 3.65 O ATOM 1585 NE2 GLN A 107 31.305 -29.648 22.890 1.00 4.07 N ATOM 0 H GLN A 107 33.583 -28.683 17.448 1.00 3.06 H new ATOM 0 HA GLN A 107 35.176 -28.449 19.744 1.00 3.32 H new ATOM 0 HB2 GLN A 107 32.807 -27.712 19.496 1.00 3.32 H new ATOM 0 HB3 GLN A 107 32.297 -29.388 19.449 1.00 3.32 H new ATOM 0 HG2 GLN A 107 33.957 -28.753 21.798 1.00 3.59 H new ATOM 0 HG3 GLN A 107 32.491 -27.798 21.715 1.00 3.59 H new ATOM 0 HE21 GLN A 107 31.213 -28.699 23.252 1.00 4.07 H new ATOM 0 HE22 GLN A 107 30.743 -30.401 23.286 1.00 4.07 H new