USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=23 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 78 THR OG1 : rot -53:sc= 1.51 USER MOD Set 1.2: A 81 LYS NZ :NH3+ -120:sc= -0.392 (180deg=-2.93!) USER MOD Set 2.1: A 44 ASN : amide:sc= -1.14! C(o=-1.5!,f=-7.2!) USER MOD Set 2.2: A 48 LYS NZ :NH3+ 174:sc= -0.365! (180deg=0.524) USER MOD Set 3.1: A 43 GLN : amide:sc= 0.412 K(o=0.96,f=-1.9) USER MOD Set 3.2: A 47 LYS NZ :NH3+ -135:sc= 0.552 (180deg=-0.442) USER MOD Set 4.1: A 21 SER OG : rot 100:sc= 0.778 USER MOD Set 4.2: A 24 LYS NZ :NH3+ 162:sc= -1.2! (180deg=-2.02!) USER MOD Single : A 10 HIS : no HD1:sc= -1.59! C(o=-1.6!,f=-6.2!) USER MOD Single : A 11 GLN : amide:sc= -1.81! C(o=-1.8!,f=-4.7!) USER MOD Single : A 16 MET CE :methyl -177:sc= 0 (180deg=-0.0154) USER MOD Single : A 26 LYS NZ :NH3+ 158:sc= 0.403 (180deg=-0.0591) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= -0.831 (180deg=-0.837) USER MOD Single : A 31 SER OG : rot 77:sc= 0.421 USER MOD Single : A 32 SER OG : rot 75:sc= 0.231 USER MOD Single : A 49 HIS : no HE2:sc= -0.757 K(o=-0.76,f=-4.6) USER MOD Single : A 50 LYS NZ :NH3+ 178:sc= -0.111 (180deg=-0.111) USER MOD Single : A 59 HIS : no HD1:sc= -8.94! C(o=-8.9!,f=-12!) USER MOD Single : A 64 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.12) USER MOD Single : A 69 THR OG1 : rot 72:sc= 0.968 USER MOD Single : A 71 LYS NZ :NH3+ -120:sc= -1.67 (180deg=-3.55!) USER MOD Single : A 72 LYS NZ :NH3+ -172:sc= 1.14 (180deg=0.9) USER MOD Single : A 74 SER OG : rot 180:sc= -0.665 USER MOD Single : A 77 ASN : amide:sc= 1.71 K(o=1.7,f=-6.2!) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.477 F(o=-2,f=-0.48) USER MOD Single : A 86 GLN :FLIP amide:sc= -0.362 F(o=-1.1,f=-0.36) USER MOD Single : A 90 GLN : amide:sc= -0.653 K(o=-0.65,f=-6.1!) USER MOD Single : A 94 HIS :FLIP no HE2:sc= -0.386 F(o=-1.4,f=-0.39) USER MOD Single : A 96 LYS NZ :NH3+ -129:sc= 0.502 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -173:sc= 0.489 (180deg=0.452) USER MOD Single : A 100 GLN : amide:sc= -0.555 X(o=-0.56,f=-0.42) USER MOD Single : A 107 GLN :FLIP amide:sc= -0.0891 F(o=-0.65,f=-0.089) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 21.697 -9.128 -13.594 1.00 1.70 N ATOM 2 CA HIS A 10 21.532 -10.475 -14.141 1.00 1.73 C ATOM 3 C HIS A 10 22.653 -11.412 -13.691 1.00 1.58 C ATOM 4 O HIS A 10 22.387 -12.480 -13.136 1.00 1.52 O ATOM 5 CB HIS A 10 21.444 -10.439 -15.673 1.00 2.04 C ATOM 6 CG HIS A 10 22.594 -9.745 -16.340 1.00 2.54 C ATOM 7 ND1 HIS A 10 23.868 -10.263 -16.411 1.00 3.19 N ATOM 8 CD2 HIS A 10 22.639 -8.550 -16.984 1.00 3.29 C ATOM 9 CE1 HIS A 10 24.631 -9.389 -17.079 1.00 4.01 C ATOM 10 NE2 HIS A 10 23.934 -8.332 -17.449 1.00 4.11 N ATOM 0 HA HIS A 10 20.594 -10.869 -13.749 1.00 1.73 H new ATOM 0 HB2 HIS A 10 21.386 -11.461 -16.046 1.00 2.04 H new ATOM 0 HB3 HIS A 10 20.518 -9.941 -15.961 1.00 2.04 H new ATOM 0 HD2 HIS A 10 21.805 -7.877 -17.115 1.00 3.29 H new ATOM 0 HE1 HIS A 10 25.681 -9.531 -17.288 1.00 4.01 H new ATOM 0 HE2 HIS A 10 24.273 -7.522 -17.968 1.00 4.11 H new ATOM 18 N GLN A 11 23.900 -11.019 -13.927 1.00 1.60 N ATOM 19 CA GLN A 11 25.039 -11.841 -13.539 1.00 1.56 C ATOM 20 C GLN A 11 25.102 -11.984 -12.024 1.00 1.29 C ATOM 21 O GLN A 11 25.434 -13.045 -11.506 1.00 1.26 O ATOM 22 CB GLN A 11 26.346 -11.240 -14.064 1.00 1.75 C ATOM 23 CG GLN A 11 26.908 -11.969 -15.276 1.00 2.28 C ATOM 24 CD GLN A 11 27.560 -13.292 -14.917 1.00 3.08 C ATOM 25 OE1 GLN A 11 26.884 -14.309 -14.761 1.00 3.64 O ATOM 26 NE2 GLN A 11 28.881 -13.289 -14.789 1.00 3.73 N ATOM 0 H GLN A 11 24.147 -10.141 -14.383 1.00 1.60 H new ATOM 0 HA GLN A 11 24.909 -12.829 -13.981 1.00 1.56 H new ATOM 0 HB2 GLN A 11 26.177 -10.195 -14.325 1.00 1.75 H new ATOM 0 HB3 GLN A 11 27.088 -11.253 -13.266 1.00 1.75 H new ATOM 0 HG2 GLN A 11 26.105 -12.147 -15.991 1.00 2.28 H new ATOM 0 HG3 GLN A 11 27.640 -11.331 -15.771 1.00 2.28 H new ATOM 0 HE21 GLN A 11 29.405 -12.425 -14.927 1.00 3.73 H new ATOM 0 HE22 GLN A 11 29.372 -14.151 -14.553 1.00 3.73 H new ATOM 35 N PHE A 12 24.766 -10.907 -11.318 1.00 1.14 N ATOM 36 CA PHE A 12 24.781 -10.911 -9.863 1.00 0.98 C ATOM 37 C PHE A 12 23.876 -12.016 -9.335 1.00 0.94 C ATOM 38 O PHE A 12 24.257 -12.764 -8.436 1.00 0.91 O ATOM 39 CB PHE A 12 24.334 -9.543 -9.329 1.00 0.98 C ATOM 40 CG PHE A 12 23.891 -9.562 -7.893 1.00 0.86 C ATOM 41 CD1 PHE A 12 24.816 -9.670 -6.869 1.00 0.83 C ATOM 42 CD2 PHE A 12 22.546 -9.480 -7.570 1.00 0.86 C ATOM 43 CE1 PHE A 12 24.409 -9.694 -5.551 1.00 0.77 C ATOM 44 CE2 PHE A 12 22.135 -9.505 -6.255 1.00 0.82 C ATOM 45 CZ PHE A 12 23.065 -9.611 -5.244 1.00 0.76 C ATOM 0 H PHE A 12 24.480 -10.021 -11.734 1.00 1.14 H new ATOM 0 HA PHE A 12 25.797 -11.102 -9.517 1.00 0.98 H new ATOM 0 HB2 PHE A 12 25.157 -8.836 -9.435 1.00 0.98 H new ATOM 0 HB3 PHE A 12 23.515 -9.173 -9.946 1.00 0.98 H new ATOM 0 HD1 PHE A 12 25.868 -9.736 -7.104 1.00 0.83 H new ATOM 0 HD2 PHE A 12 21.812 -9.396 -8.358 1.00 0.86 H new ATOM 0 HE1 PHE A 12 25.140 -9.778 -4.761 1.00 0.77 H new ATOM 0 HE2 PHE A 12 21.084 -9.441 -6.017 1.00 0.82 H new ATOM 0 HZ PHE A 12 22.744 -9.629 -4.213 1.00 0.76 H new ATOM 55 N PHE A 13 22.681 -12.133 -9.915 1.00 1.03 N ATOM 56 CA PHE A 13 21.745 -13.169 -9.498 1.00 1.16 C ATOM 57 C PHE A 13 22.397 -14.539 -9.632 1.00 1.12 C ATOM 58 O PHE A 13 22.426 -15.321 -8.680 1.00 1.08 O ATOM 59 CB PHE A 13 20.456 -13.109 -10.327 1.00 1.42 C ATOM 60 CG PHE A 13 19.223 -13.464 -9.541 1.00 1.67 C ATOM 61 CD1 PHE A 13 19.131 -14.676 -8.876 1.00 2.16 C ATOM 62 CD2 PHE A 13 18.151 -12.586 -9.476 1.00 1.91 C ATOM 63 CE1 PHE A 13 17.996 -15.006 -8.162 1.00 2.70 C ATOM 64 CE2 PHE A 13 17.014 -12.912 -8.762 1.00 2.42 C ATOM 65 CZ PHE A 13 16.954 -14.114 -8.073 1.00 2.77 C ATOM 0 H PHE A 13 22.344 -11.530 -10.665 1.00 1.03 H new ATOM 0 HA PHE A 13 21.482 -12.999 -8.454 1.00 1.16 H new ATOM 0 HB2 PHE A 13 20.341 -12.105 -10.735 1.00 1.42 H new ATOM 0 HB3 PHE A 13 20.546 -13.789 -11.174 1.00 1.42 H new ATOM 0 HD1 PHE A 13 19.957 -15.371 -8.917 1.00 2.16 H new ATOM 0 HD2 PHE A 13 18.206 -11.637 -9.989 1.00 1.91 H new ATOM 0 HE1 PHE A 13 17.927 -15.966 -7.673 1.00 2.70 H new ATOM 0 HE2 PHE A 13 16.175 -12.233 -8.741 1.00 2.42 H new ATOM 0 HZ PHE A 13 16.091 -14.349 -7.468 1.00 2.77 H new ATOM 75 N ARG A 14 22.944 -14.813 -10.815 1.00 1.21 N ATOM 76 CA ARG A 14 23.620 -16.081 -11.062 1.00 1.30 C ATOM 77 C ARG A 14 24.720 -16.286 -10.030 1.00 1.14 C ATOM 78 O ARG A 14 24.810 -17.339 -9.409 1.00 1.12 O ATOM 79 CB ARG A 14 24.207 -16.121 -12.478 1.00 1.55 C ATOM 80 CG ARG A 14 24.748 -17.489 -12.880 1.00 1.71 C ATOM 81 CD ARG A 14 26.207 -17.665 -12.479 1.00 2.48 C ATOM 82 NE ARG A 14 27.002 -16.468 -12.750 1.00 2.80 N ATOM 83 CZ ARG A 14 28.057 -16.098 -12.030 1.00 3.53 C ATOM 84 NH1 ARG A 14 28.469 -16.853 -11.023 1.00 3.79 N ATOM 85 NH2 ARG A 14 28.692 -14.968 -12.306 1.00 4.35 N ATOM 0 H ARG A 14 22.932 -14.177 -11.612 1.00 1.21 H new ATOM 0 HA ARG A 14 22.891 -16.886 -10.976 1.00 1.30 H new ATOM 0 HB2 ARG A 14 23.437 -15.821 -13.189 1.00 1.55 H new ATOM 0 HB3 ARG A 14 25.010 -15.387 -12.550 1.00 1.55 H new ATOM 0 HG2 ARG A 14 24.147 -18.269 -12.412 1.00 1.71 H new ATOM 0 HG3 ARG A 14 24.650 -17.615 -13.958 1.00 1.71 H new ATOM 0 HD2 ARG A 14 26.264 -17.904 -11.417 1.00 2.48 H new ATOM 0 HD3 ARG A 14 26.631 -18.511 -13.020 1.00 2.48 H new ATOM 0 HE ARG A 14 26.731 -15.881 -13.539 1.00 2.80 H new ATOM 0 HH11 ARG A 14 27.977 -17.718 -10.800 1.00 3.79 H new ATOM 0 HH12 ARG A 14 29.278 -16.569 -10.471 1.00 3.79 H new ATOM 0 HH21 ARG A 14 28.372 -14.378 -13.074 1.00 4.35 H new ATOM 0 HH22 ARG A 14 29.501 -14.689 -11.751 1.00 4.35 H new ATOM 99 N ASP A 15 25.547 -15.261 -9.845 1.00 1.12 N ATOM 100 CA ASP A 15 26.635 -15.313 -8.876 1.00 1.14 C ATOM 101 C ASP A 15 26.121 -15.779 -7.517 1.00 1.00 C ATOM 102 O ASP A 15 26.630 -16.746 -6.949 1.00 1.05 O ATOM 103 CB ASP A 15 27.294 -13.933 -8.753 1.00 1.29 C ATOM 104 CG ASP A 15 28.485 -13.773 -9.680 1.00 1.49 C ATOM 105 OD1 ASP A 15 29.428 -14.587 -9.581 1.00 2.10 O ATOM 106 OD2 ASP A 15 28.474 -12.837 -10.507 1.00 1.84 O ATOM 0 H ASP A 15 25.483 -14.381 -10.357 1.00 1.12 H new ATOM 0 HA ASP A 15 27.379 -16.030 -9.224 1.00 1.14 H new ATOM 0 HB2 ASP A 15 26.558 -13.161 -8.976 1.00 1.29 H new ATOM 0 HB3 ASP A 15 27.616 -13.778 -7.723 1.00 1.29 H new ATOM 111 N MET A 16 25.099 -15.096 -7.004 1.00 0.93 N ATOM 112 CA MET A 16 24.516 -15.455 -5.715 1.00 0.98 C ATOM 113 C MET A 16 24.109 -16.925 -5.705 1.00 0.88 C ATOM 114 O MET A 16 24.494 -17.682 -4.811 1.00 0.88 O ATOM 115 CB MET A 16 23.303 -14.570 -5.414 1.00 1.15 C ATOM 116 CG MET A 16 22.727 -14.775 -4.021 1.00 1.45 C ATOM 117 SD MET A 16 21.667 -13.412 -3.499 1.00 1.92 S ATOM 118 CE MET A 16 20.223 -13.695 -4.520 1.00 2.23 C ATOM 0 H MET A 16 24.660 -14.295 -7.459 1.00 0.93 H new ATOM 0 HA MET A 16 25.267 -15.296 -4.941 1.00 0.98 H new ATOM 0 HB2 MET A 16 23.590 -13.525 -5.529 1.00 1.15 H new ATOM 0 HB3 MET A 16 22.526 -14.770 -6.152 1.00 1.15 H new ATOM 0 HG2 MET A 16 22.155 -15.703 -4.002 1.00 1.45 H new ATOM 0 HG3 MET A 16 23.543 -14.889 -3.308 1.00 1.45 H new ATOM 0 HE1 MET A 16 19.496 -12.900 -4.351 1.00 2.23 H new ATOM 0 HE2 MET A 16 20.515 -13.702 -5.570 1.00 2.23 H new ATOM 0 HE3 MET A 16 19.777 -14.655 -4.262 1.00 2.23 H new ATOM 128 N ASP A 17 23.332 -17.324 -6.712 1.00 0.91 N ATOM 129 CA ASP A 17 22.882 -18.705 -6.820 1.00 0.97 C ATOM 130 C ASP A 17 24.068 -19.658 -6.790 1.00 0.88 C ATOM 131 O ASP A 17 24.036 -20.667 -6.102 1.00 0.86 O ATOM 132 CB ASP A 17 22.076 -18.917 -8.106 1.00 1.19 C ATOM 133 CG ASP A 17 21.364 -20.260 -8.129 1.00 1.80 C ATOM 134 OD1 ASP A 17 22.044 -21.299 -7.975 1.00 2.46 O ATOM 135 OD2 ASP A 17 20.127 -20.273 -8.301 1.00 2.44 O ATOM 0 H ASP A 17 23.004 -16.712 -7.459 1.00 0.91 H new ATOM 0 HA ASP A 17 22.238 -18.915 -5.966 1.00 0.97 H new ATOM 0 HB2 ASP A 17 21.342 -18.118 -8.207 1.00 1.19 H new ATOM 0 HB3 ASP A 17 22.743 -18.848 -8.965 1.00 1.19 H new ATOM 140 N ASP A 18 25.113 -19.329 -7.542 1.00 0.95 N ATOM 141 CA ASP A 18 26.311 -20.160 -7.600 1.00 1.09 C ATOM 142 C ASP A 18 26.837 -20.452 -6.201 1.00 1.01 C ATOM 143 O ASP A 18 27.145 -21.598 -5.873 1.00 1.05 O ATOM 144 CB ASP A 18 27.396 -19.474 -8.443 1.00 1.33 C ATOM 145 CG ASP A 18 27.806 -20.297 -9.651 1.00 1.90 C ATOM 146 OD1 ASP A 18 27.983 -21.525 -9.507 1.00 2.48 O ATOM 147 OD2 ASP A 18 27.956 -19.708 -10.743 1.00 2.49 O ATOM 0 H ASP A 18 25.155 -18.491 -8.121 1.00 0.95 H new ATOM 0 HA ASP A 18 26.046 -21.107 -8.070 1.00 1.09 H new ATOM 0 HB2 ASP A 18 27.031 -18.503 -8.777 1.00 1.33 H new ATOM 0 HB3 ASP A 18 28.271 -19.289 -7.820 1.00 1.33 H new ATOM 152 N GLU A 19 26.923 -19.415 -5.372 1.00 1.02 N ATOM 153 CA GLU A 19 27.394 -19.586 -4.003 1.00 1.12 C ATOM 154 C GLU A 19 26.383 -20.427 -3.226 1.00 0.89 C ATOM 155 O GLU A 19 26.708 -21.502 -2.712 1.00 0.88 O ATOM 156 CB GLU A 19 27.603 -18.223 -3.334 1.00 1.38 C ATOM 157 CG GLU A 19 28.418 -18.291 -2.047 1.00 2.04 C ATOM 158 CD GLU A 19 27.604 -17.999 -0.795 1.00 2.53 C ATOM 159 OE1 GLU A 19 26.365 -17.883 -0.896 1.00 3.02 O ATOM 160 OE2 GLU A 19 28.213 -17.896 0.292 1.00 3.07 O ATOM 0 H GLU A 19 26.675 -18.458 -5.622 1.00 1.02 H new ATOM 0 HA GLU A 19 28.354 -20.102 -4.010 1.00 1.12 H new ATOM 0 HB2 GLU A 19 28.104 -17.556 -4.036 1.00 1.38 H new ATOM 0 HB3 GLU A 19 26.630 -17.783 -3.115 1.00 1.38 H new ATOM 0 HG2 GLU A 19 28.861 -19.283 -1.959 1.00 2.04 H new ATOM 0 HG3 GLU A 19 29.241 -17.579 -2.110 1.00 2.04 H new ATOM 167 N GLU A 20 25.142 -19.948 -3.177 1.00 0.84 N ATOM 168 CA GLU A 20 24.072 -20.673 -2.498 1.00 0.84 C ATOM 169 C GLU A 20 24.087 -22.140 -2.927 1.00 0.73 C ATOM 170 O GLU A 20 23.832 -23.037 -2.125 1.00 0.78 O ATOM 171 CB GLU A 20 22.712 -20.044 -2.817 1.00 1.03 C ATOM 172 CG GLU A 20 21.857 -19.768 -1.586 1.00 1.61 C ATOM 173 CD GLU A 20 22.314 -18.545 -0.812 1.00 1.98 C ATOM 174 OE1 GLU A 20 22.405 -17.456 -1.419 1.00 2.49 O ATOM 175 OE2 GLU A 20 22.577 -18.676 0.402 1.00 2.50 O ATOM 0 H GLU A 20 24.854 -19.065 -3.598 1.00 0.84 H new ATOM 0 HA GLU A 20 24.236 -20.614 -1.422 1.00 0.84 H new ATOM 0 HB2 GLU A 20 22.872 -19.109 -3.354 1.00 1.03 H new ATOM 0 HB3 GLU A 20 22.164 -20.707 -3.487 1.00 1.03 H new ATOM 0 HG2 GLU A 20 20.820 -19.631 -1.893 1.00 1.61 H new ATOM 0 HG3 GLU A 20 21.883 -20.638 -0.930 1.00 1.61 H new ATOM 182 N SER A 21 24.409 -22.369 -4.199 1.00 0.75 N ATOM 183 CA SER A 21 24.481 -23.712 -4.749 1.00 0.89 C ATOM 184 C SER A 21 25.617 -24.480 -4.089 1.00 0.84 C ATOM 185 O SER A 21 25.437 -25.618 -3.652 1.00 0.91 O ATOM 186 CB SER A 21 24.672 -23.650 -6.269 1.00 1.14 C ATOM 187 OG SER A 21 23.439 -23.843 -6.944 1.00 1.59 O ATOM 0 H SER A 21 24.625 -21.631 -4.869 1.00 0.75 H new ATOM 0 HA SER A 21 23.547 -24.235 -4.545 1.00 0.89 H new ATOM 0 HB2 SER A 21 25.096 -22.685 -6.547 1.00 1.14 H new ATOM 0 HB3 SER A 21 25.385 -24.413 -6.581 1.00 1.14 H new ATOM 0 HG SER A 21 23.082 -22.975 -7.227 1.00 1.59 H new ATOM 193 N TRP A 22 26.782 -23.836 -3.987 1.00 0.91 N ATOM 194 CA TRP A 22 27.941 -24.458 -3.352 1.00 1.05 C ATOM 195 C TRP A 22 27.558 -24.969 -1.964 1.00 0.87 C ATOM 196 O TRP A 22 27.952 -26.062 -1.566 1.00 0.92 O ATOM 197 CB TRP A 22 29.113 -23.470 -3.247 1.00 1.38 C ATOM 198 CG TRP A 22 30.153 -23.911 -2.263 1.00 1.53 C ATOM 199 CD1 TRP A 22 31.270 -24.651 -2.516 1.00 2.19 C ATOM 200 CD2 TRP A 22 30.152 -23.655 -0.856 1.00 1.39 C ATOM 201 NE1 TRP A 22 31.955 -24.879 -1.349 1.00 2.16 N ATOM 202 CE2 TRP A 22 31.289 -24.274 -0.317 1.00 1.65 C ATOM 203 CE3 TRP A 22 29.297 -22.961 -0.005 1.00 1.73 C ATOM 204 CZ2 TRP A 22 31.591 -24.220 1.041 1.00 1.79 C ATOM 205 CZ3 TRP A 22 29.596 -22.906 1.338 1.00 2.24 C ATOM 206 CH2 TRP A 22 30.733 -23.531 1.852 1.00 2.11 C ATOM 0 H TRP A 22 26.945 -22.891 -4.334 1.00 0.91 H new ATOM 0 HA TRP A 22 28.262 -25.296 -3.971 1.00 1.05 H new ATOM 0 HB2 TRP A 22 29.573 -23.353 -4.228 1.00 1.38 H new ATOM 0 HB3 TRP A 22 28.733 -22.491 -2.954 1.00 1.38 H new ATOM 0 HD1 TRP A 22 31.571 -25.005 -3.491 1.00 2.19 H new ATOM 0 HE1 TRP A 22 32.820 -25.413 -1.264 1.00 2.16 H new ATOM 0 HE3 TRP A 22 28.414 -22.474 -0.391 1.00 1.73 H new ATOM 0 HZ2 TRP A 22 32.470 -24.704 1.439 1.00 1.79 H new ATOM 0 HZ3 TRP A 22 28.939 -22.369 2.006 1.00 2.24 H new ATOM 0 HH2 TRP A 22 30.939 -23.469 2.910 1.00 2.11 H new ATOM 217 N ILE A 23 26.790 -24.165 -1.230 1.00 0.80 N ATOM 218 CA ILE A 23 26.348 -24.550 0.108 1.00 0.90 C ATOM 219 C ILE A 23 25.759 -25.956 0.088 1.00 0.87 C ATOM 220 O ILE A 23 26.208 -26.843 0.816 1.00 0.95 O ATOM 221 CB ILE A 23 25.289 -23.576 0.678 1.00 1.16 C ATOM 222 CG1 ILE A 23 25.800 -22.130 0.647 1.00 1.34 C ATOM 223 CG2 ILE A 23 24.910 -23.977 2.099 1.00 1.46 C ATOM 224 CD1 ILE A 23 24.822 -21.126 1.220 1.00 1.92 C ATOM 0 H ILE A 23 26.463 -23.249 -1.537 1.00 0.80 H new ATOM 0 HA ILE A 23 27.228 -24.516 0.750 1.00 0.90 H new ATOM 0 HB ILE A 23 24.400 -23.634 0.050 1.00 1.16 H new ATOM 0 HG12 ILE A 23 26.735 -22.072 1.205 1.00 1.34 H new ATOM 0 HG13 ILE A 23 26.026 -21.856 -0.383 1.00 1.34 H new ATOM 0 HG21 ILE A 23 24.164 -23.283 2.486 1.00 1.46 H new ATOM 0 HG22 ILE A 23 24.498 -24.986 2.095 1.00 1.46 H new ATOM 0 HG23 ILE A 23 25.796 -23.949 2.733 1.00 1.46 H new ATOM 0 HD11 ILE A 23 25.252 -20.126 1.164 1.00 1.92 H new ATOM 0 HD12 ILE A 23 23.895 -21.154 0.648 1.00 1.92 H new ATOM 0 HD13 ILE A 23 24.614 -21.374 2.261 1.00 1.92 H new ATOM 236 N LYS A 24 24.749 -26.153 -0.754 1.00 0.92 N ATOM 237 CA LYS A 24 24.092 -27.450 -0.875 1.00 1.18 C ATOM 238 C LYS A 24 25.112 -28.569 -1.072 1.00 1.21 C ATOM 239 O LYS A 24 25.096 -29.569 -0.352 1.00 1.38 O ATOM 240 CB LYS A 24 23.095 -27.442 -2.040 1.00 1.40 C ATOM 241 CG LYS A 24 22.216 -26.198 -2.095 1.00 2.00 C ATOM 242 CD LYS A 24 21.105 -26.338 -3.128 1.00 2.68 C ATOM 243 CE LYS A 24 21.594 -26.008 -4.532 1.00 3.24 C ATOM 244 NZ LYS A 24 21.348 -24.583 -4.893 1.00 3.58 N ATOM 0 H LYS A 24 24.367 -25.430 -1.363 1.00 0.92 H new ATOM 0 HA LYS A 24 23.552 -27.636 0.054 1.00 1.18 H new ATOM 0 HB2 LYS A 24 23.646 -27.527 -2.977 1.00 1.40 H new ATOM 0 HB3 LYS A 24 22.457 -28.322 -1.965 1.00 1.40 H new ATOM 0 HG2 LYS A 24 21.779 -26.018 -1.113 1.00 2.00 H new ATOM 0 HG3 LYS A 24 22.829 -25.330 -2.336 1.00 2.00 H new ATOM 0 HD2 LYS A 24 20.716 -27.356 -3.108 1.00 2.68 H new ATOM 0 HD3 LYS A 24 20.279 -25.677 -2.866 1.00 2.68 H new ATOM 0 HE2 LYS A 24 22.661 -26.220 -4.603 1.00 3.24 H new ATOM 0 HE3 LYS A 24 21.092 -26.655 -5.251 1.00 3.24 H new ATOM 0 HZ1 LYS A 24 21.948 -24.321 -5.701 1.00 3.58 H new ATOM 0 HZ2 LYS A 24 20.348 -24.457 -5.149 1.00 3.58 H new ATOM 0 HZ3 LYS A 24 21.576 -23.975 -4.081 1.00 3.58 H new ATOM 258 N GLU A 25 25.995 -28.398 -2.052 1.00 1.18 N ATOM 259 CA GLU A 25 27.014 -29.397 -2.342 1.00 1.40 C ATOM 260 C GLU A 25 27.841 -29.724 -1.101 1.00 1.37 C ATOM 261 O GLU A 25 28.073 -30.895 -0.798 1.00 1.59 O ATOM 262 CB GLU A 25 27.909 -28.924 -3.500 1.00 1.58 C ATOM 263 CG GLU A 25 29.301 -28.447 -3.091 1.00 2.34 C ATOM 264 CD GLU A 25 29.493 -26.947 -3.242 1.00 2.86 C ATOM 265 OE1 GLU A 25 28.571 -26.187 -2.879 1.00 3.45 O ATOM 266 OE2 GLU A 25 30.569 -26.533 -3.724 1.00 3.26 O ATOM 0 H GLU A 25 26.024 -27.577 -2.657 1.00 1.18 H new ATOM 0 HA GLU A 25 26.514 -30.316 -2.648 1.00 1.40 H new ATOM 0 HB2 GLU A 25 28.017 -29.742 -4.212 1.00 1.58 H new ATOM 0 HB3 GLU A 25 27.402 -28.112 -4.022 1.00 1.58 H new ATOM 0 HG2 GLU A 25 29.482 -28.726 -2.053 1.00 2.34 H new ATOM 0 HG3 GLU A 25 30.046 -28.964 -3.695 1.00 2.34 H new ATOM 273 N LYS A 26 28.279 -28.694 -0.380 1.00 1.19 N ATOM 274 CA LYS A 26 29.071 -28.907 0.823 1.00 1.29 C ATOM 275 C LYS A 26 28.262 -29.652 1.874 1.00 1.31 C ATOM 276 O LYS A 26 28.736 -30.631 2.438 1.00 1.49 O ATOM 277 CB LYS A 26 29.587 -27.584 1.381 1.00 1.34 C ATOM 278 CG LYS A 26 30.376 -27.728 2.676 1.00 1.63 C ATOM 279 CD LYS A 26 31.613 -28.600 2.491 1.00 2.01 C ATOM 280 CE LYS A 26 32.664 -27.914 1.625 1.00 2.27 C ATOM 281 NZ LYS A 26 33.062 -28.748 0.457 1.00 2.77 N ATOM 0 H LYS A 26 28.100 -27.716 -0.606 1.00 1.19 H new ATOM 0 HA LYS A 26 29.932 -29.518 0.554 1.00 1.29 H new ATOM 0 HB2 LYS A 26 30.220 -27.107 0.632 1.00 1.34 H new ATOM 0 HB3 LYS A 26 28.741 -26.919 1.554 1.00 1.34 H new ATOM 0 HG2 LYS A 26 30.676 -26.742 3.030 1.00 1.63 H new ATOM 0 HG3 LYS A 26 29.737 -28.162 3.445 1.00 1.63 H new ATOM 0 HD2 LYS A 26 32.041 -28.835 3.465 1.00 2.01 H new ATOM 0 HD3 LYS A 26 31.326 -29.546 2.033 1.00 2.01 H new ATOM 0 HE2 LYS A 26 32.274 -26.959 1.272 1.00 2.27 H new ATOM 0 HE3 LYS A 26 33.544 -27.695 2.230 1.00 2.27 H new ATOM 0 HZ1 LYS A 26 33.466 -28.139 -0.283 1.00 2.77 H new ATOM 0 HZ2 LYS A 26 33.771 -29.447 0.756 1.00 2.77 H new ATOM 0 HZ3 LYS A 26 32.227 -29.241 0.082 1.00 2.77 H new ATOM 295 N LYS A 27 27.032 -29.203 2.121 1.00 1.25 N ATOM 296 CA LYS A 27 26.175 -29.865 3.099 1.00 1.48 C ATOM 297 C LYS A 27 26.145 -31.368 2.832 1.00 1.65 C ATOM 298 O LYS A 27 26.209 -32.179 3.756 1.00 1.84 O ATOM 299 CB LYS A 27 24.757 -29.289 3.048 1.00 1.61 C ATOM 300 CG LYS A 27 24.161 -29.006 4.423 1.00 2.10 C ATOM 301 CD LYS A 27 22.808 -29.679 4.599 1.00 2.50 C ATOM 302 CE LYS A 27 22.391 -29.727 6.062 1.00 3.05 C ATOM 303 NZ LYS A 27 22.346 -28.370 6.674 1.00 3.62 N ATOM 0 H LYS A 27 26.612 -28.394 1.663 1.00 1.25 H new ATOM 0 HA LYS A 27 26.581 -29.690 4.095 1.00 1.48 H new ATOM 0 HB2 LYS A 27 24.770 -28.365 2.470 1.00 1.61 H new ATOM 0 HB3 LYS A 27 24.109 -29.987 2.518 1.00 1.61 H new ATOM 0 HG2 LYS A 27 24.845 -29.357 5.195 1.00 2.10 H new ATOM 0 HG3 LYS A 27 24.053 -27.930 4.558 1.00 2.10 H new ATOM 0 HD2 LYS A 27 22.056 -29.140 4.023 1.00 2.50 H new ATOM 0 HD3 LYS A 27 22.850 -30.692 4.199 1.00 2.50 H new ATOM 0 HE2 LYS A 27 21.410 -30.194 6.144 1.00 3.05 H new ATOM 0 HE3 LYS A 27 23.090 -30.352 6.618 1.00 3.05 H new ATOM 0 HZ1 LYS A 27 22.025 -28.445 7.660 1.00 3.62 H new ATOM 0 HZ2 LYS A 27 23.296 -27.947 6.650 1.00 3.62 H new ATOM 0 HZ3 LYS A 27 21.686 -27.770 6.140 1.00 3.62 H new ATOM 317 N LEU A 28 26.067 -31.729 1.554 1.00 1.65 N ATOM 318 CA LEU A 28 26.049 -33.132 1.157 1.00 1.92 C ATOM 319 C LEU A 28 27.399 -33.779 1.454 1.00 1.96 C ATOM 320 O LEU A 28 27.475 -34.933 1.876 1.00 2.16 O ATOM 321 CB LEU A 28 25.720 -33.251 -0.335 1.00 2.05 C ATOM 322 CG LEU A 28 25.446 -34.671 -0.839 1.00 2.51 C ATOM 323 CD1 LEU A 28 24.047 -35.121 -0.436 1.00 3.19 C ATOM 324 CD2 LEU A 28 25.618 -34.744 -2.350 1.00 2.78 C ATOM 0 H LEU A 28 26.015 -31.070 0.777 1.00 1.65 H new ATOM 0 HA LEU A 28 25.280 -33.651 1.728 1.00 1.92 H new ATOM 0 HB2 LEU A 28 24.847 -32.634 -0.547 1.00 2.05 H new ATOM 0 HB3 LEU A 28 26.550 -32.835 -0.906 1.00 2.05 H new ATOM 0 HG LEU A 28 26.169 -35.345 -0.379 1.00 2.51 H new ATOM 0 HD11 LEU A 28 23.870 -36.132 -0.803 1.00 3.19 H new ATOM 0 HD12 LEU A 28 23.960 -35.109 0.650 1.00 3.19 H new ATOM 0 HD13 LEU A 28 23.309 -34.445 -0.867 1.00 3.19 H new ATOM 0 HD21 LEU A 28 25.419 -35.760 -2.690 1.00 2.78 H new ATOM 0 HD22 LEU A 28 24.920 -34.058 -2.829 1.00 2.78 H new ATOM 0 HD23 LEU A 28 26.638 -34.466 -2.614 1.00 2.78 H new ATOM 336 N LEU A 29 28.465 -33.016 1.229 1.00 1.84 N ATOM 337 CA LEU A 29 29.820 -33.497 1.468 1.00 2.00 C ATOM 338 C LEU A 29 30.030 -33.830 2.943 1.00 2.03 C ATOM 339 O LEU A 29 30.602 -34.866 3.278 1.00 2.24 O ATOM 340 CB LEU A 29 30.841 -32.445 1.018 1.00 2.00 C ATOM 341 CG LEU A 29 32.101 -33.001 0.344 1.00 2.43 C ATOM 342 CD1 LEU A 29 32.835 -33.955 1.277 1.00 3.08 C ATOM 343 CD2 LEU A 29 31.748 -33.693 -0.966 1.00 3.02 C ATOM 0 H LEU A 29 28.415 -32.059 0.880 1.00 1.84 H new ATOM 0 HA LEU A 29 29.964 -34.408 0.887 1.00 2.00 H new ATOM 0 HB2 LEU A 29 30.351 -31.760 0.326 1.00 2.00 H new ATOM 0 HB3 LEU A 29 31.142 -31.860 1.887 1.00 2.00 H new ATOM 0 HG LEU A 29 32.765 -32.166 0.121 1.00 2.43 H new ATOM 0 HD11 LEU A 29 33.726 -34.338 0.779 1.00 3.08 H new ATOM 0 HD12 LEU A 29 33.126 -33.425 2.184 1.00 3.08 H new ATOM 0 HD13 LEU A 29 32.179 -34.786 1.537 1.00 3.08 H new ATOM 0 HD21 LEU A 29 32.656 -34.081 -1.429 1.00 3.02 H new ATOM 0 HD22 LEU A 29 31.061 -34.516 -0.769 1.00 3.02 H new ATOM 0 HD23 LEU A 29 31.274 -32.978 -1.639 1.00 3.02 H new ATOM 355 N VAL A 30 29.563 -32.945 3.820 1.00 1.90 N ATOM 356 CA VAL A 30 29.705 -33.146 5.258 1.00 2.05 C ATOM 357 C VAL A 30 29.008 -34.432 5.696 1.00 2.27 C ATOM 358 O VAL A 30 29.570 -35.223 6.454 1.00 2.48 O ATOM 359 CB VAL A 30 29.159 -31.934 6.058 1.00 2.03 C ATOM 360 CG1 VAL A 30 27.788 -32.221 6.659 1.00 2.26 C ATOM 361 CG2 VAL A 30 30.145 -31.529 7.146 1.00 2.35 C ATOM 0 H VAL A 30 29.084 -32.083 3.560 1.00 1.90 H new ATOM 0 HA VAL A 30 30.770 -33.236 5.473 1.00 2.05 H new ATOM 0 HB VAL A 30 29.041 -31.105 5.360 1.00 2.03 H new ATOM 0 HG11 VAL A 30 27.442 -31.347 7.211 1.00 2.26 H new ATOM 0 HG12 VAL A 30 27.081 -32.449 5.861 1.00 2.26 H new ATOM 0 HG13 VAL A 30 27.858 -33.073 7.336 1.00 2.26 H new ATOM 0 HG21 VAL A 30 29.748 -30.677 7.698 1.00 2.35 H new ATOM 0 HG22 VAL A 30 30.297 -32.365 7.828 1.00 2.35 H new ATOM 0 HG23 VAL A 30 31.096 -31.254 6.691 1.00 2.35 H new ATOM 371 N SER A 31 27.789 -34.637 5.199 1.00 2.30 N ATOM 372 CA SER A 31 27.018 -35.832 5.527 1.00 2.61 C ATOM 373 C SER A 31 27.833 -37.091 5.248 1.00 2.74 C ATOM 374 O SER A 31 27.719 -38.087 5.961 1.00 3.01 O ATOM 375 CB SER A 31 25.713 -35.857 4.729 1.00 2.70 C ATOM 376 OG SER A 31 24.991 -34.647 4.892 1.00 2.71 O ATOM 0 H SER A 31 27.315 -33.990 4.568 1.00 2.30 H new ATOM 0 HA SER A 31 26.778 -35.806 6.590 1.00 2.61 H new ATOM 0 HB2 SER A 31 25.932 -36.014 3.673 1.00 2.70 H new ATOM 0 HB3 SER A 31 25.100 -36.697 5.055 1.00 2.70 H new ATOM 0 HG SER A 31 25.404 -33.944 4.349 1.00 2.71 H new ATOM 382 N SER A 32 28.656 -37.032 4.206 1.00 2.63 N ATOM 383 CA SER A 32 29.500 -38.159 3.828 1.00 2.85 C ATOM 384 C SER A 32 30.747 -38.218 4.708 1.00 2.93 C ATOM 385 O SER A 32 31.088 -39.271 5.248 1.00 3.19 O ATOM 386 CB SER A 32 29.896 -38.051 2.353 1.00 2.84 C ATOM 387 OG SER A 32 28.778 -37.710 1.548 1.00 3.16 O ATOM 0 H SER A 32 28.756 -36.213 3.607 1.00 2.63 H new ATOM 0 HA SER A 32 28.933 -39.079 3.974 1.00 2.85 H new ATOM 0 HB2 SER A 32 30.675 -37.298 2.237 1.00 2.84 H new ATOM 0 HB3 SER A 32 30.316 -38.999 2.015 1.00 2.84 H new ATOM 0 HG SER A 32 28.559 -36.763 1.676 1.00 3.16 H new ATOM 393 N GLU A 33 31.424 -37.077 4.845 1.00 2.79 N ATOM 394 CA GLU A 33 32.633 -36.988 5.661 1.00 2.95 C ATOM 395 C GLU A 33 32.406 -37.614 7.032 1.00 3.13 C ATOM 396 O GLU A 33 33.224 -38.400 7.510 1.00 3.53 O ATOM 397 CB GLU A 33 33.061 -35.523 5.822 1.00 3.57 C ATOM 398 CG GLU A 33 34.490 -35.245 5.378 1.00 3.89 C ATOM 399 CD GLU A 33 34.926 -36.122 4.218 1.00 3.97 C ATOM 400 OE1 GLU A 33 34.980 -37.357 4.393 1.00 4.37 O ATOM 401 OE2 GLU A 33 35.212 -35.573 3.131 1.00 4.15 O ATOM 0 H GLU A 33 31.154 -36.200 4.400 1.00 2.79 H new ATOM 0 HA GLU A 33 33.426 -37.537 5.154 1.00 2.95 H new ATOM 0 HB2 GLU A 33 32.383 -34.892 5.247 1.00 3.57 H new ATOM 0 HB3 GLU A 33 32.954 -35.236 6.868 1.00 3.57 H new ATOM 0 HG2 GLU A 33 34.579 -34.198 5.089 1.00 3.89 H new ATOM 0 HG3 GLU A 33 35.164 -35.402 6.220 1.00 3.89 H new ATOM 540 N GLN A 43 42.855 -39.993 7.815 1.00 3.28 N ATOM 541 CA GLN A 43 43.653 -39.078 7.004 1.00 3.01 C ATOM 542 C GLN A 43 42.792 -38.303 6.016 1.00 2.82 C ATOM 543 O GLN A 43 43.033 -37.121 5.769 1.00 2.61 O ATOM 544 CB GLN A 43 44.758 -39.838 6.267 1.00 3.07 C ATOM 545 CG GLN A 43 46.084 -39.862 7.013 1.00 3.47 C ATOM 546 CD GLN A 43 46.661 -38.475 7.228 1.00 3.77 C ATOM 547 OE1 GLN A 43 46.815 -37.702 6.282 1.00 4.06 O ATOM 548 NE2 GLN A 43 46.985 -38.153 8.474 1.00 4.24 N ATOM 0 HA GLN A 43 44.111 -38.356 7.680 1.00 3.01 H new ATOM 0 HB2 GLN A 43 44.429 -40.863 6.094 1.00 3.07 H new ATOM 0 HB3 GLN A 43 44.910 -39.383 5.288 1.00 3.07 H new ATOM 0 HG2 GLN A 43 45.944 -40.346 7.979 1.00 3.47 H new ATOM 0 HG3 GLN A 43 46.799 -40.466 6.455 1.00 3.47 H new ATOM 0 HE21 GLN A 43 46.841 -38.824 9.228 1.00 4.24 H new ATOM 0 HE22 GLN A 43 47.378 -37.234 8.677 1.00 4.24 H new ATOM 557 N ASN A 44 41.787 -38.963 5.455 1.00 2.97 N ATOM 558 CA ASN A 44 40.899 -38.309 4.501 1.00 2.93 C ATOM 559 C ASN A 44 40.033 -37.279 5.215 1.00 2.82 C ATOM 560 O ASN A 44 39.693 -36.243 4.649 1.00 2.66 O ATOM 561 CB ASN A 44 40.025 -39.333 3.770 1.00 3.26 C ATOM 562 CG ASN A 44 39.462 -38.799 2.464 1.00 3.37 C ATOM 563 OD1 ASN A 44 39.124 -37.622 2.354 1.00 3.42 O ATOM 564 ND2 ASN A 44 39.359 -39.667 1.464 1.00 3.83 N ATOM 0 H ASN A 44 41.567 -39.941 5.641 1.00 2.97 H new ATOM 0 HA ASN A 44 41.511 -37.800 3.756 1.00 2.93 H new ATOM 0 HB2 ASN A 44 40.613 -40.228 3.568 1.00 3.26 H new ATOM 0 HB3 ASN A 44 39.203 -39.632 4.420 1.00 3.26 H new ATOM 0 HD21 ASN A 44 38.988 -39.365 0.563 1.00 3.83 H new ATOM 0 HD22 ASN A 44 39.651 -40.635 1.597 1.00 3.83 H new ATOM 571 N LEU A 45 39.690 -37.562 6.470 1.00 3.00 N ATOM 572 CA LEU A 45 38.880 -36.649 7.261 1.00 3.01 C ATOM 573 C LEU A 45 39.633 -35.348 7.501 1.00 2.73 C ATOM 574 O LEU A 45 39.152 -34.276 7.147 1.00 2.57 O ATOM 575 CB LEU A 45 38.494 -37.283 8.603 1.00 3.36 C ATOM 576 CG LEU A 45 37.241 -38.164 8.577 1.00 3.84 C ATOM 577 CD1 LEU A 45 37.148 -38.996 9.850 1.00 4.23 C ATOM 578 CD2 LEU A 45 35.991 -37.314 8.402 1.00 4.27 C ATOM 0 H LEU A 45 39.962 -38.416 6.957 1.00 3.00 H new ATOM 0 HA LEU A 45 37.968 -36.436 6.704 1.00 3.01 H new ATOM 0 HB2 LEU A 45 39.332 -37.883 8.956 1.00 3.36 H new ATOM 0 HB3 LEU A 45 38.343 -36.487 9.332 1.00 3.36 H new ATOM 0 HG LEU A 45 37.315 -38.842 7.726 1.00 3.84 H new ATOM 0 HD11 LEU A 45 36.252 -39.616 9.815 1.00 4.23 H new ATOM 0 HD12 LEU A 45 38.028 -39.634 9.933 1.00 4.23 H new ATOM 0 HD13 LEU A 45 37.097 -38.334 10.714 1.00 4.23 H new ATOM 0 HD21 LEU A 45 35.112 -37.958 8.386 1.00 4.27 H new ATOM 0 HD22 LEU A 45 35.910 -36.611 9.231 1.00 4.27 H new ATOM 0 HD23 LEU A 45 36.054 -36.763 7.464 1.00 4.27 H new ATOM 590 N ARG A 46 40.819 -35.444 8.102 1.00 2.73 N ATOM 591 CA ARG A 46 41.616 -34.255 8.381 1.00 2.59 C ATOM 592 C ARG A 46 41.913 -33.478 7.104 1.00 2.28 C ATOM 593 O ARG A 46 41.886 -32.248 7.100 1.00 2.17 O ATOM 594 CB ARG A 46 42.916 -34.619 9.099 1.00 2.76 C ATOM 595 CG ARG A 46 43.057 -33.929 10.447 1.00 2.97 C ATOM 596 CD ARG A 46 43.275 -32.430 10.291 1.00 3.51 C ATOM 597 NE ARG A 46 42.158 -31.656 10.835 1.00 4.06 N ATOM 598 CZ ARG A 46 41.711 -30.513 10.310 1.00 4.80 C ATOM 599 NH1 ARG A 46 42.287 -30.014 9.223 1.00 5.49 N ATOM 600 NH2 ARG A 46 40.694 -29.869 10.864 1.00 5.15 N ATOM 0 H ARG A 46 41.243 -36.322 8.401 1.00 2.73 H new ATOM 0 HA ARG A 46 41.029 -33.615 9.040 1.00 2.59 H new ATOM 0 HB2 ARG A 46 42.957 -35.699 9.243 1.00 2.76 H new ATOM 0 HB3 ARG A 46 43.762 -34.349 8.467 1.00 2.76 H new ATOM 0 HG2 ARG A 46 42.161 -34.107 11.042 1.00 2.97 H new ATOM 0 HG3 ARG A 46 43.894 -34.364 10.993 1.00 2.97 H new ATOM 0 HD2 ARG A 46 44.196 -32.143 10.797 1.00 3.51 H new ATOM 0 HD3 ARG A 46 43.403 -32.190 9.236 1.00 3.51 H new ATOM 0 HE ARG A 46 41.691 -32.013 11.669 1.00 4.06 H new ATOM 0 HH11 ARG A 46 43.070 -30.504 8.790 1.00 5.49 H new ATOM 0 HH12 ARG A 46 41.947 -29.141 8.821 1.00 5.49 H new ATOM 0 HH21 ARG A 46 40.246 -30.246 11.699 1.00 5.15 H new ATOM 0 HH22 ARG A 46 40.360 -28.996 10.455 1.00 5.15 H new ATOM 614 N LYS A 47 42.188 -34.197 6.019 1.00 2.24 N ATOM 615 CA LYS A 47 42.475 -33.558 4.742 1.00 2.12 C ATOM 616 C LYS A 47 41.245 -32.807 4.244 1.00 2.02 C ATOM 617 O LYS A 47 41.330 -31.641 3.855 1.00 1.89 O ATOM 618 CB LYS A 47 42.918 -34.595 3.706 1.00 2.32 C ATOM 619 CG LYS A 47 44.385 -34.980 3.821 1.00 2.70 C ATOM 620 CD LYS A 47 44.865 -35.731 2.585 1.00 3.12 C ATOM 621 CE LYS A 47 46.005 -36.684 2.911 1.00 3.66 C ATOM 622 NZ LYS A 47 46.975 -36.087 3.871 1.00 4.30 N ATOM 0 H LYS A 47 42.218 -35.216 6.000 1.00 2.24 H new ATOM 0 HA LYS A 47 43.289 -32.848 4.886 1.00 2.12 H new ATOM 0 HB2 LYS A 47 42.306 -35.490 3.815 1.00 2.32 H new ATOM 0 HB3 LYS A 47 42.731 -34.201 2.707 1.00 2.32 H new ATOM 0 HG2 LYS A 47 44.988 -34.082 3.959 1.00 2.70 H new ATOM 0 HG3 LYS A 47 44.531 -35.601 4.705 1.00 2.70 H new ATOM 0 HD2 LYS A 47 44.035 -36.291 2.155 1.00 3.12 H new ATOM 0 HD3 LYS A 47 45.193 -35.017 1.830 1.00 3.12 H new ATOM 0 HE2 LYS A 47 45.599 -37.604 3.331 1.00 3.66 H new ATOM 0 HE3 LYS A 47 46.525 -36.955 1.992 1.00 3.66 H new ATOM 0 HZ1 LYS A 47 47.945 -36.272 3.545 1.00 4.30 H new ATOM 0 HZ2 LYS A 47 46.819 -35.060 3.929 1.00 4.30 H new ATOM 0 HZ3 LYS A 47 46.839 -36.511 4.811 1.00 4.30 H new ATOM 636 N LYS A 48 40.096 -33.478 4.279 1.00 2.17 N ATOM 637 CA LYS A 48 38.844 -32.870 3.849 1.00 2.20 C ATOM 638 C LYS A 48 38.516 -31.672 4.728 1.00 2.02 C ATOM 639 O LYS A 48 38.072 -30.637 4.240 1.00 1.90 O ATOM 640 CB LYS A 48 37.707 -33.893 3.897 1.00 2.54 C ATOM 641 CG LYS A 48 37.535 -34.674 2.602 1.00 3.02 C ATOM 642 CD LYS A 48 36.333 -35.606 2.663 1.00 3.19 C ATOM 643 CE LYS A 48 36.392 -36.679 1.583 1.00 3.73 C ATOM 644 NZ LYS A 48 36.480 -38.047 2.164 1.00 4.17 N ATOM 0 H LYS A 48 40.008 -34.442 4.601 1.00 2.17 H new ATOM 0 HA LYS A 48 38.957 -32.530 2.820 1.00 2.20 H new ATOM 0 HB2 LYS A 48 37.893 -34.593 4.712 1.00 2.54 H new ATOM 0 HB3 LYS A 48 36.775 -33.377 4.127 1.00 2.54 H new ATOM 0 HG2 LYS A 48 37.415 -33.979 1.771 1.00 3.02 H new ATOM 0 HG3 LYS A 48 38.436 -35.255 2.404 1.00 3.02 H new ATOM 0 HD2 LYS A 48 36.290 -36.080 3.644 1.00 3.19 H new ATOM 0 HD3 LYS A 48 35.417 -35.026 2.549 1.00 3.19 H new ATOM 0 HE2 LYS A 48 35.506 -36.609 0.953 1.00 3.73 H new ATOM 0 HE3 LYS A 48 37.255 -36.501 0.941 1.00 3.73 H new ATOM 0 HZ1 LYS A 48 36.416 -38.752 1.402 1.00 4.17 H new ATOM 0 HZ2 LYS A 48 37.387 -38.155 2.661 1.00 4.17 H new ATOM 0 HZ3 LYS A 48 35.699 -38.190 2.835 1.00 4.17 H new ATOM 658 N HIS A 49 38.752 -31.818 6.029 1.00 2.10 N ATOM 659 CA HIS A 49 38.495 -30.744 6.977 1.00 2.10 C ATOM 660 C HIS A 49 39.334 -29.521 6.628 1.00 1.82 C ATOM 661 O HIS A 49 38.811 -28.416 6.512 1.00 1.72 O ATOM 662 CB HIS A 49 38.790 -31.199 8.410 1.00 2.37 C ATOM 663 CG HIS A 49 37.551 -31.360 9.232 1.00 2.66 C ATOM 664 ND1 HIS A 49 36.887 -30.309 9.820 1.00 2.97 N ATOM 665 CD2 HIS A 49 36.840 -32.474 9.539 1.00 3.22 C ATOM 666 CE1 HIS A 49 35.813 -30.804 10.453 1.00 3.47 C ATOM 667 NE2 HIS A 49 35.739 -32.113 10.312 1.00 3.60 N ATOM 0 H HIS A 49 39.121 -32.671 6.449 1.00 2.10 H new ATOM 0 HA HIS A 49 37.440 -30.478 6.914 1.00 2.10 H new ATOM 0 HB2 HIS A 49 39.328 -32.146 8.382 1.00 2.37 H new ATOM 0 HB3 HIS A 49 39.447 -30.473 8.889 1.00 2.37 H new ATOM 0 HD1 HIS A 49 37.162 -29.328 9.782 1.00 2.97 H new ATOM 0 HD2 HIS A 49 37.088 -33.480 9.233 1.00 3.22 H new ATOM 0 HE1 HIS A 49 35.102 -30.208 11.006 1.00 3.47 H new ATOM 675 N LYS A 50 40.638 -29.727 6.447 1.00 1.76 N ATOM 676 CA LYS A 50 41.537 -28.640 6.097 1.00 1.67 C ATOM 677 C LYS A 50 41.008 -27.885 4.887 1.00 1.49 C ATOM 678 O LYS A 50 41.041 -26.654 4.847 1.00 1.46 O ATOM 679 CB LYS A 50 42.933 -29.193 5.813 1.00 1.79 C ATOM 680 CG LYS A 50 44.042 -28.164 5.941 1.00 2.13 C ATOM 681 CD LYS A 50 44.140 -27.601 7.355 1.00 2.64 C ATOM 682 CE LYS A 50 43.974 -26.089 7.373 1.00 3.07 C ATOM 683 NZ LYS A 50 42.561 -25.681 7.134 1.00 3.17 N ATOM 0 H LYS A 50 41.090 -30.637 6.538 1.00 1.76 H new ATOM 0 HA LYS A 50 41.597 -27.946 6.935 1.00 1.67 H new ATOM 0 HB2 LYS A 50 43.133 -30.016 6.499 1.00 1.79 H new ATOM 0 HB3 LYS A 50 42.950 -29.608 4.805 1.00 1.79 H new ATOM 0 HG2 LYS A 50 44.993 -28.620 5.666 1.00 2.13 H new ATOM 0 HG3 LYS A 50 43.864 -27.350 5.238 1.00 2.13 H new ATOM 0 HD2 LYS A 50 43.375 -28.058 7.982 1.00 2.64 H new ATOM 0 HD3 LYS A 50 45.106 -27.866 7.786 1.00 2.64 H new ATOM 0 HE2 LYS A 50 44.306 -25.699 8.335 1.00 3.07 H new ATOM 0 HE3 LYS A 50 44.614 -25.645 6.611 1.00 3.07 H new ATOM 0 HZ1 LYS A 50 42.485 -24.645 7.188 1.00 3.17 H new ATOM 0 HZ2 LYS A 50 42.262 -26.002 6.191 1.00 3.17 H new ATOM 0 HZ3 LYS A 50 41.949 -26.111 7.856 1.00 3.17 H new ATOM 697 N ARG A 51 40.503 -28.631 3.911 1.00 1.50 N ATOM 698 CA ARG A 51 39.945 -28.034 2.707 1.00 1.50 C ATOM 699 C ARG A 51 38.690 -27.246 3.054 1.00 1.38 C ATOM 700 O ARG A 51 38.487 -26.138 2.567 1.00 1.27 O ATOM 701 CB ARG A 51 39.617 -29.115 1.671 1.00 1.77 C ATOM 702 CG ARG A 51 40.539 -29.107 0.461 1.00 2.17 C ATOM 703 CD ARG A 51 41.796 -29.934 0.700 1.00 2.52 C ATOM 704 NE ARG A 51 43.013 -29.192 0.378 1.00 2.87 N ATOM 705 CZ ARG A 51 43.586 -28.318 1.202 1.00 3.47 C ATOM 706 NH1 ARG A 51 43.054 -28.083 2.394 1.00 3.79 N ATOM 707 NH2 ARG A 51 44.689 -27.681 0.835 1.00 4.13 N ATOM 0 H ARG A 51 40.469 -29.650 3.931 1.00 1.50 H new ATOM 0 HA ARG A 51 40.685 -27.359 2.278 1.00 1.50 H new ATOM 0 HB2 ARG A 51 39.671 -30.092 2.150 1.00 1.77 H new ATOM 0 HB3 ARG A 51 38.589 -28.982 1.334 1.00 1.77 H new ATOM 0 HG2 ARG A 51 40.005 -29.499 -0.405 1.00 2.17 H new ATOM 0 HG3 ARG A 51 40.819 -28.080 0.225 1.00 2.17 H new ATOM 0 HD2 ARG A 51 41.829 -30.249 1.743 1.00 2.52 H new ATOM 0 HD3 ARG A 51 41.754 -30.840 0.095 1.00 2.52 H new ATOM 0 HE ARG A 51 43.448 -29.353 -0.530 1.00 2.87 H new ATOM 0 HH11 ARG A 51 42.206 -28.572 2.679 1.00 3.79 H new ATOM 0 HH12 ARG A 51 43.493 -27.413 3.025 1.00 3.79 H new ATOM 0 HH21 ARG A 51 45.101 -27.860 -0.081 1.00 4.13 H new ATOM 0 HH22 ARG A 51 45.126 -27.012 1.468 1.00 4.13 H new ATOM 721 N LEU A 52 37.860 -27.829 3.912 1.00 1.51 N ATOM 722 CA LEU A 52 36.624 -27.187 4.344 1.00 1.55 C ATOM 723 C LEU A 52 36.922 -25.843 4.995 1.00 1.33 C ATOM 724 O LEU A 52 36.325 -24.828 4.645 1.00 1.22 O ATOM 725 CB LEU A 52 35.865 -28.092 5.321 1.00 1.88 C ATOM 726 CG LEU A 52 34.669 -28.838 4.720 1.00 2.21 C ATOM 727 CD1 LEU A 52 35.113 -29.722 3.563 1.00 2.90 C ATOM 728 CD2 LEU A 52 33.964 -29.667 5.787 1.00 2.58 C ATOM 0 H LEU A 52 38.022 -28.748 4.323 1.00 1.51 H new ATOM 0 HA LEU A 52 35.999 -27.018 3.467 1.00 1.55 H new ATOM 0 HB2 LEU A 52 36.562 -28.824 5.730 1.00 1.88 H new ATOM 0 HB3 LEU A 52 35.513 -27.485 6.155 1.00 1.88 H new ATOM 0 HG LEU A 52 33.964 -28.101 4.336 1.00 2.21 H new ATOM 0 HD11 LEU A 52 34.249 -30.243 3.151 1.00 2.90 H new ATOM 0 HD12 LEU A 52 35.569 -29.106 2.788 1.00 2.90 H new ATOM 0 HD13 LEU A 52 35.840 -30.452 3.921 1.00 2.90 H new ATOM 0 HD21 LEU A 52 33.117 -30.189 5.341 1.00 2.58 H new ATOM 0 HD22 LEU A 52 34.661 -30.394 6.202 1.00 2.58 H new ATOM 0 HD23 LEU A 52 33.608 -29.011 6.581 1.00 2.58 H new ATOM 740 N GLU A 53 37.863 -25.839 5.935 1.00 1.38 N ATOM 741 CA GLU A 53 38.246 -24.614 6.624 1.00 1.39 C ATOM 742 C GLU A 53 38.670 -23.547 5.620 1.00 1.16 C ATOM 743 O GLU A 53 38.175 -22.419 5.656 1.00 1.13 O ATOM 744 CB GLU A 53 39.380 -24.893 7.618 1.00 1.66 C ATOM 745 CG GLU A 53 38.916 -25.555 8.912 1.00 2.20 C ATOM 746 CD GLU A 53 39.405 -26.986 9.062 1.00 2.62 C ATOM 747 OE1 GLU A 53 40.619 -27.224 8.884 1.00 3.17 O ATOM 748 OE2 GLU A 53 38.575 -27.871 9.361 1.00 3.08 O ATOM 0 H GLU A 53 38.373 -26.670 6.236 1.00 1.38 H new ATOM 0 HA GLU A 53 37.383 -24.244 7.177 1.00 1.39 H new ATOM 0 HB2 GLU A 53 40.121 -25.533 7.139 1.00 1.66 H new ATOM 0 HB3 GLU A 53 39.878 -23.954 7.860 1.00 1.66 H new ATOM 0 HG2 GLU A 53 39.268 -24.967 9.760 1.00 2.20 H new ATOM 0 HG3 GLU A 53 37.827 -25.545 8.947 1.00 2.20 H new ATOM 755 N ALA A 54 39.574 -23.911 4.713 1.00 1.13 N ATOM 756 CA ALA A 54 40.040 -22.981 3.693 1.00 1.16 C ATOM 757 C ALA A 54 38.868 -22.503 2.843 1.00 0.99 C ATOM 758 O ALA A 54 38.756 -21.320 2.523 1.00 1.03 O ATOM 759 CB ALA A 54 41.103 -23.633 2.821 1.00 1.35 C ATOM 0 H ALA A 54 39.995 -24.839 4.665 1.00 1.13 H new ATOM 0 HA ALA A 54 40.487 -22.118 4.186 1.00 1.16 H new ATOM 0 HB1 ALA A 54 41.439 -22.923 2.065 1.00 1.35 H new ATOM 0 HB2 ALA A 54 41.949 -23.931 3.440 1.00 1.35 H new ATOM 0 HB3 ALA A 54 40.684 -24.512 2.332 1.00 1.35 H new ATOM 765 N GLU A 55 37.993 -23.439 2.494 1.00 0.99 N ATOM 766 CA GLU A 55 36.813 -23.137 1.699 1.00 1.06 C ATOM 767 C GLU A 55 35.975 -22.055 2.372 1.00 0.88 C ATOM 768 O GLU A 55 35.694 -21.015 1.778 1.00 0.90 O ATOM 769 CB GLU A 55 35.964 -24.401 1.514 1.00 1.35 C ATOM 770 CG GLU A 55 36.250 -25.161 0.231 1.00 1.84 C ATOM 771 CD GLU A 55 35.387 -26.401 0.092 1.00 1.93 C ATOM 772 OE1 GLU A 55 35.692 -27.416 0.754 1.00 2.60 O ATOM 773 OE2 GLU A 55 34.399 -26.353 -0.670 1.00 2.20 O ATOM 0 H GLU A 55 38.082 -24.422 2.753 1.00 0.99 H new ATOM 0 HA GLU A 55 37.141 -22.775 0.725 1.00 1.06 H new ATOM 0 HB2 GLU A 55 36.132 -25.065 2.362 1.00 1.35 H new ATOM 0 HB3 GLU A 55 34.910 -24.123 1.531 1.00 1.35 H new ATOM 0 HG2 GLU A 55 36.080 -24.505 -0.623 1.00 1.84 H new ATOM 0 HG3 GLU A 55 37.301 -25.448 0.208 1.00 1.84 H new ATOM 780 N LEU A 56 35.581 -22.309 3.618 1.00 0.90 N ATOM 781 CA LEU A 56 34.766 -21.365 4.372 1.00 0.98 C ATOM 782 C LEU A 56 35.404 -19.982 4.415 1.00 0.91 C ATOM 783 O LEU A 56 34.714 -18.967 4.306 1.00 0.99 O ATOM 784 CB LEU A 56 34.531 -21.881 5.792 1.00 1.26 C ATOM 785 CG LEU A 56 33.690 -23.160 5.891 1.00 2.02 C ATOM 786 CD1 LEU A 56 34.119 -23.992 7.091 1.00 2.67 C ATOM 787 CD2 LEU A 56 32.206 -22.824 5.972 1.00 2.55 C ATOM 0 H LEU A 56 35.814 -23.162 4.126 1.00 0.90 H new ATOM 0 HA LEU A 56 33.808 -21.275 3.861 1.00 0.98 H new ATOM 0 HB2 LEU A 56 35.498 -22.064 6.260 1.00 1.26 H new ATOM 0 HB3 LEU A 56 34.041 -21.097 6.370 1.00 1.26 H new ATOM 0 HG LEU A 56 33.857 -23.749 4.989 1.00 2.02 H new ATOM 0 HD11 LEU A 56 33.511 -24.895 7.144 1.00 2.67 H new ATOM 0 HD12 LEU A 56 35.169 -24.267 6.986 1.00 2.67 H new ATOM 0 HD13 LEU A 56 33.985 -23.411 8.003 1.00 2.67 H new ATOM 0 HD21 LEU A 56 31.628 -23.745 6.042 1.00 2.55 H new ATOM 0 HD22 LEU A 56 32.019 -22.211 6.854 1.00 2.55 H new ATOM 0 HD23 LEU A 56 31.908 -22.275 5.079 1.00 2.55 H new ATOM 799 N ALA A 57 36.718 -19.950 4.582 1.00 0.92 N ATOM 800 CA ALA A 57 37.446 -18.694 4.644 1.00 1.14 C ATOM 801 C ALA A 57 37.330 -17.924 3.332 1.00 1.08 C ATOM 802 O ALA A 57 37.014 -16.740 3.327 1.00 1.22 O ATOM 803 CB ALA A 57 38.904 -18.957 4.979 1.00 1.37 C ATOM 0 H ALA A 57 37.301 -20.781 4.677 1.00 0.92 H new ATOM 0 HA ALA A 57 37.005 -18.080 5.430 1.00 1.14 H new ATOM 0 HB1 ALA A 57 39.443 -18.011 5.024 1.00 1.37 H new ATOM 0 HB2 ALA A 57 38.971 -19.459 5.944 1.00 1.37 H new ATOM 0 HB3 ALA A 57 39.346 -19.590 4.210 1.00 1.37 H new ATOM 809 N ALA A 58 37.602 -18.610 2.227 1.00 1.03 N ATOM 810 CA ALA A 58 37.548 -17.999 0.899 1.00 1.19 C ATOM 811 C ALA A 58 36.130 -17.614 0.487 1.00 1.03 C ATOM 812 O ALA A 58 35.945 -16.663 -0.274 1.00 1.17 O ATOM 813 CB ALA A 58 38.153 -18.945 -0.123 1.00 1.43 C ATOM 0 H ALA A 58 37.864 -19.596 2.223 1.00 1.03 H new ATOM 0 HA ALA A 58 38.126 -17.076 0.940 1.00 1.19 H new ATOM 0 HB1 ALA A 58 38.112 -18.488 -1.112 1.00 1.43 H new ATOM 0 HB2 ALA A 58 39.191 -19.149 0.139 1.00 1.43 H new ATOM 0 HB3 ALA A 58 37.591 -19.879 -0.132 1.00 1.43 H new ATOM 819 N HIS A 59 35.129 -18.345 0.973 1.00 0.87 N ATOM 820 CA HIS A 59 33.755 -18.049 0.622 1.00 0.90 C ATOM 821 C HIS A 59 33.315 -16.732 1.226 1.00 0.80 C ATOM 822 O HIS A 59 32.750 -15.903 0.527 1.00 0.89 O ATOM 823 CB HIS A 59 32.824 -19.168 1.074 1.00 1.13 C ATOM 824 CG HIS A 59 33.126 -20.480 0.428 1.00 1.46 C ATOM 825 ND1 HIS A 59 33.487 -20.620 -0.893 1.00 2.16 N ATOM 826 CD2 HIS A 59 33.147 -21.722 0.958 1.00 1.68 C ATOM 827 CE1 HIS A 59 33.715 -21.919 -1.119 1.00 2.61 C ATOM 828 NE2 HIS A 59 33.524 -22.632 -0.027 1.00 2.36 N ATOM 0 H HIS A 59 35.248 -19.137 1.604 1.00 0.87 H new ATOM 0 HA HIS A 59 33.701 -17.969 -0.464 1.00 0.90 H new ATOM 0 HB2 HIS A 59 32.897 -19.278 2.156 1.00 1.13 H new ATOM 0 HB3 HIS A 59 31.795 -18.888 0.850 1.00 1.13 H new ATOM 0 HD2 HIS A 59 32.909 -21.970 1.982 1.00 1.68 H new ATOM 0 HE1 HIS A 59 34.016 -22.330 -2.071 1.00 2.61 H new ATOM 0 HE2 HIS A 59 33.630 -23.641 0.076 1.00 2.36 H new ATOM 836 N GLU A 60 33.559 -16.549 2.530 1.00 0.87 N ATOM 837 CA GLU A 60 33.157 -15.317 3.210 1.00 1.09 C ATOM 838 C GLU A 60 33.378 -14.107 2.308 1.00 1.11 C ATOM 839 O GLU A 60 32.423 -13.409 1.984 1.00 1.12 O ATOM 840 CB GLU A 60 33.885 -15.150 4.551 1.00 1.39 C ATOM 841 CG GLU A 60 33.026 -14.504 5.631 1.00 1.92 C ATOM 842 CD GLU A 60 31.873 -15.384 6.077 1.00 2.39 C ATOM 843 OE1 GLU A 60 32.114 -16.330 6.855 1.00 2.70 O ATOM 844 OE2 GLU A 60 30.728 -15.123 5.654 1.00 3.01 O ATOM 0 H GLU A 60 34.027 -17.231 3.127 1.00 0.87 H new ATOM 0 HA GLU A 60 32.091 -15.389 3.427 1.00 1.09 H new ATOM 0 HB2 GLU A 60 34.218 -16.128 4.899 1.00 1.39 H new ATOM 0 HB3 GLU A 60 34.778 -14.545 4.398 1.00 1.39 H new ATOM 0 HG2 GLU A 60 33.651 -14.269 6.493 1.00 1.92 H new ATOM 0 HG3 GLU A 60 32.631 -13.559 5.257 1.00 1.92 H new ATOM 851 N PRO A 61 34.626 -13.824 1.881 1.00 1.23 N ATOM 852 CA PRO A 61 34.900 -12.695 1.002 1.00 1.42 C ATOM 853 C PRO A 61 33.809 -12.517 -0.052 1.00 1.32 C ATOM 854 O PRO A 61 33.312 -11.412 -0.269 1.00 1.44 O ATOM 855 CB PRO A 61 36.219 -13.101 0.343 1.00 1.60 C ATOM 856 CG PRO A 61 36.927 -13.897 1.382 1.00 1.59 C ATOM 857 CD PRO A 61 35.862 -14.561 2.218 1.00 1.29 C ATOM 0 HA PRO A 61 34.941 -11.745 1.534 1.00 1.42 H new ATOM 0 HB2 PRO A 61 36.047 -13.689 -0.559 1.00 1.60 H new ATOM 0 HB3 PRO A 61 36.800 -12.227 0.048 1.00 1.60 H new ATOM 0 HG2 PRO A 61 37.578 -14.641 0.923 1.00 1.59 H new ATOM 0 HG3 PRO A 61 37.559 -13.256 1.997 1.00 1.59 H new ATOM 0 HD2 PRO A 61 35.771 -15.621 1.980 1.00 1.29 H new ATOM 0 HD3 PRO A 61 36.090 -14.492 3.282 1.00 1.29 H new ATOM 865 N ALA A 62 33.442 -13.621 -0.704 1.00 1.18 N ATOM 866 CA ALA A 62 32.413 -13.600 -1.746 1.00 1.22 C ATOM 867 C ALA A 62 31.002 -13.604 -1.162 1.00 1.00 C ATOM 868 O ALA A 62 30.071 -13.090 -1.776 1.00 1.06 O ATOM 869 CB ALA A 62 32.591 -14.784 -2.688 1.00 1.31 C ATOM 0 H ALA A 62 33.842 -14.543 -0.529 1.00 1.18 H new ATOM 0 HA ALA A 62 32.535 -12.671 -2.302 1.00 1.22 H new ATOM 0 HB1 ALA A 62 31.820 -14.756 -3.457 1.00 1.31 H new ATOM 0 HB2 ALA A 62 33.573 -14.731 -3.157 1.00 1.31 H new ATOM 0 HB3 ALA A 62 32.508 -15.713 -2.124 1.00 1.31 H new ATOM 875 N ILE A 63 30.845 -14.191 0.021 1.00 0.82 N ATOM 876 CA ILE A 63 29.545 -14.264 0.676 1.00 0.73 C ATOM 877 C ILE A 63 29.087 -12.858 1.036 1.00 0.73 C ATOM 878 O ILE A 63 27.957 -12.461 0.745 1.00 0.73 O ATOM 879 CB ILE A 63 29.609 -15.175 1.932 1.00 0.79 C ATOM 880 CG1 ILE A 63 30.153 -16.570 1.548 1.00 1.08 C ATOM 881 CG2 ILE A 63 28.252 -15.284 2.617 1.00 0.96 C ATOM 882 CD1 ILE A 63 29.110 -17.674 1.465 1.00 0.67 C ATOM 0 H ILE A 63 31.605 -14.624 0.546 1.00 0.82 H new ATOM 0 HA ILE A 63 28.821 -14.708 -0.007 1.00 0.73 H new ATOM 0 HB ILE A 63 30.292 -14.719 2.648 1.00 0.79 H new ATOM 0 HG12 ILE A 63 30.655 -16.493 0.583 1.00 1.08 H new ATOM 0 HG13 ILE A 63 30.909 -16.861 2.278 1.00 1.08 H new ATOM 0 HG21 ILE A 63 28.337 -15.929 3.491 1.00 0.96 H new ATOM 0 HG22 ILE A 63 27.921 -14.293 2.928 1.00 0.96 H new ATOM 0 HG23 ILE A 63 27.527 -15.708 1.922 1.00 0.96 H new ATOM 0 HD11 ILE A 63 29.593 -18.611 1.189 1.00 0.67 H new ATOM 0 HD12 ILE A 63 28.623 -17.788 2.433 1.00 0.67 H new ATOM 0 HD13 ILE A 63 28.365 -17.415 0.713 1.00 0.67 H new ATOM 894 N GLN A 64 30.007 -12.085 1.602 1.00 0.83 N ATOM 895 CA GLN A 64 29.739 -10.697 1.937 1.00 0.95 C ATOM 896 C GLN A 64 29.722 -9.891 0.648 1.00 0.95 C ATOM 897 O GLN A 64 28.870 -9.028 0.445 1.00 0.92 O ATOM 898 CB GLN A 64 30.807 -10.156 2.891 1.00 1.17 C ATOM 899 CG GLN A 64 30.843 -10.870 4.234 1.00 1.62 C ATOM 900 CD GLN A 64 29.542 -10.733 5.001 1.00 2.58 C ATOM 901 OE1 GLN A 64 28.728 -11.655 5.035 1.00 3.24 O ATOM 902 NE2 GLN A 64 29.338 -9.577 5.619 1.00 3.27 N ATOM 0 H GLN A 64 30.948 -12.400 1.838 1.00 0.83 H new ATOM 0 HA GLN A 64 28.776 -10.618 2.441 1.00 0.95 H new ATOM 0 HB2 GLN A 64 31.784 -10.244 2.416 1.00 1.17 H new ATOM 0 HB3 GLN A 64 30.628 -9.094 3.058 1.00 1.17 H new ATOM 0 HG2 GLN A 64 31.057 -11.927 4.074 1.00 1.62 H new ATOM 0 HG3 GLN A 64 31.659 -10.467 4.834 1.00 1.62 H new ATOM 0 HE21 GLN A 64 30.040 -8.839 5.565 1.00 3.27 H new ATOM 0 HE22 GLN A 64 28.479 -9.426 6.148 1.00 3.27 H new ATOM 911 N GLY A 65 30.668 -10.211 -0.238 1.00 1.05 N ATOM 912 CA GLY A 65 30.746 -9.543 -1.520 1.00 1.14 C ATOM 913 C GLY A 65 29.404 -9.524 -2.218 1.00 0.94 C ATOM 914 O GLY A 65 29.017 -8.513 -2.798 1.00 0.94 O ATOM 0 H GLY A 65 31.381 -10.924 -0.085 1.00 1.05 H new ATOM 0 HA2 GLY A 65 31.098 -8.521 -1.378 1.00 1.14 H new ATOM 0 HA3 GLY A 65 31.478 -10.048 -2.150 1.00 1.14 H new ATOM 918 N VAL A 66 28.678 -10.643 -2.148 1.00 0.83 N ATOM 919 CA VAL A 66 27.362 -10.723 -2.771 1.00 0.72 C ATOM 920 C VAL A 66 26.454 -9.656 -2.178 1.00 0.59 C ATOM 921 O VAL A 66 25.944 -8.791 -2.890 1.00 0.56 O ATOM 922 CB VAL A 66 26.718 -12.116 -2.576 1.00 0.77 C ATOM 923 CG1 VAL A 66 25.351 -12.189 -3.249 1.00 1.22 C ATOM 924 CG2 VAL A 66 27.635 -13.210 -3.105 1.00 1.46 C ATOM 0 H VAL A 66 28.977 -11.494 -1.672 1.00 0.83 H new ATOM 0 HA VAL A 66 27.488 -10.559 -3.841 1.00 0.72 H new ATOM 0 HB VAL A 66 26.575 -12.273 -1.507 1.00 0.77 H new ATOM 0 HG11 VAL A 66 24.922 -13.179 -3.095 1.00 1.22 H new ATOM 0 HG12 VAL A 66 24.692 -11.437 -2.816 1.00 1.22 H new ATOM 0 HG13 VAL A 66 25.461 -12.003 -4.317 1.00 1.22 H new ATOM 0 HG21 VAL A 66 27.164 -14.182 -2.959 1.00 1.46 H new ATOM 0 HG22 VAL A 66 27.816 -13.051 -4.168 1.00 1.46 H new ATOM 0 HG23 VAL A 66 28.583 -13.182 -2.568 1.00 1.46 H new ATOM 934 N LEU A 67 26.283 -9.705 -0.860 1.00 0.58 N ATOM 935 CA LEU A 67 25.458 -8.723 -0.165 1.00 0.62 C ATOM 936 C LEU A 67 25.877 -7.310 -0.559 1.00 0.69 C ATOM 937 O LEU A 67 25.040 -6.481 -0.910 1.00 0.71 O ATOM 938 CB LEU A 67 25.569 -8.905 1.354 1.00 0.74 C ATOM 939 CG LEU A 67 24.823 -7.859 2.192 1.00 1.29 C ATOM 940 CD1 LEU A 67 24.197 -8.504 3.421 1.00 2.13 C ATOM 941 CD2 LEU A 67 25.759 -6.729 2.600 1.00 1.90 C ATOM 0 H LEU A 67 26.703 -10.411 -0.255 1.00 0.58 H new ATOM 0 HA LEU A 67 24.419 -8.876 -0.456 1.00 0.62 H new ATOM 0 HB2 LEU A 67 25.190 -9.893 1.614 1.00 0.74 H new ATOM 0 HB3 LEU A 67 26.623 -8.885 1.630 1.00 0.74 H new ATOM 0 HG LEU A 67 24.025 -7.438 1.580 1.00 1.29 H new ATOM 0 HD11 LEU A 67 23.672 -7.746 4.002 1.00 2.13 H new ATOM 0 HD12 LEU A 67 23.492 -9.274 3.108 1.00 2.13 H new ATOM 0 HD13 LEU A 67 24.978 -8.955 4.033 1.00 2.13 H new ATOM 0 HD21 LEU A 67 25.210 -5.998 3.194 1.00 1.90 H new ATOM 0 HD22 LEU A 67 26.581 -7.133 3.191 1.00 1.90 H new ATOM 0 HD23 LEU A 67 26.157 -6.246 1.708 1.00 1.90 H new ATOM 953 N ASP A 68 27.181 -7.045 -0.500 1.00 0.79 N ATOM 954 CA ASP A 68 27.711 -5.735 -0.857 1.00 0.94 C ATOM 955 C ASP A 68 27.251 -5.329 -2.255 1.00 0.86 C ATOM 956 O ASP A 68 26.718 -4.236 -2.445 1.00 0.91 O ATOM 957 CB ASP A 68 29.239 -5.727 -0.787 1.00 1.12 C ATOM 958 CG ASP A 68 29.791 -4.324 -0.615 1.00 1.55 C ATOM 959 OD1 ASP A 68 29.878 -3.859 0.540 1.00 2.24 O ATOM 960 OD2 ASP A 68 30.119 -3.685 -1.636 1.00 2.04 O ATOM 0 H ASP A 68 27.887 -7.721 -0.208 1.00 0.79 H new ATOM 0 HA ASP A 68 27.326 -5.012 -0.137 1.00 0.94 H new ATOM 0 HB2 ASP A 68 29.567 -6.351 0.044 1.00 1.12 H new ATOM 0 HB3 ASP A 68 29.646 -6.168 -1.697 1.00 1.12 H new ATOM 965 N THR A 69 27.454 -6.212 -3.231 1.00 0.80 N ATOM 966 CA THR A 69 27.043 -5.929 -4.602 1.00 0.80 C ATOM 967 C THR A 69 25.554 -5.612 -4.634 1.00 0.67 C ATOM 968 O THR A 69 25.137 -4.591 -5.183 1.00 0.73 O ATOM 969 CB THR A 69 27.355 -7.114 -5.520 1.00 0.86 C ATOM 970 OG1 THR A 69 28.715 -7.491 -5.403 1.00 1.02 O ATOM 971 CG2 THR A 69 27.087 -6.826 -6.983 1.00 0.94 C ATOM 0 H THR A 69 27.897 -7.121 -3.099 1.00 0.80 H new ATOM 0 HA THR A 69 27.602 -5.066 -4.964 1.00 0.80 H new ATOM 0 HB THR A 69 26.690 -7.914 -5.195 1.00 0.86 H new ATOM 0 HG1 THR A 69 28.860 -7.928 -4.538 1.00 1.02 H new ATOM 0 HG21 THR A 69 27.329 -7.707 -7.578 1.00 0.94 H new ATOM 0 HG22 THR A 69 26.035 -6.575 -7.118 1.00 0.94 H new ATOM 0 HG23 THR A 69 27.704 -5.988 -7.308 1.00 0.94 H new ATOM 979 N GLY A 70 24.753 -6.486 -4.023 1.00 0.57 N ATOM 980 CA GLY A 70 23.321 -6.263 -3.979 1.00 0.59 C ATOM 981 C GLY A 70 22.998 -4.864 -3.488 1.00 0.69 C ATOM 982 O GLY A 70 22.166 -4.169 -4.067 1.00 0.79 O ATOM 0 H GLY A 70 25.071 -7.338 -3.561 1.00 0.57 H new ATOM 0 HA2 GLY A 70 22.897 -6.409 -4.972 1.00 0.59 H new ATOM 0 HA3 GLY A 70 22.856 -6.998 -3.322 1.00 0.59 H new ATOM 986 N LYS A 71 23.681 -4.447 -2.423 1.00 0.76 N ATOM 987 CA LYS A 71 23.485 -3.115 -1.863 1.00 0.94 C ATOM 988 C LYS A 71 23.787 -2.063 -2.925 1.00 0.99 C ATOM 989 O LYS A 71 23.091 -1.053 -3.034 1.00 1.12 O ATOM 990 CB LYS A 71 24.384 -2.914 -0.633 1.00 1.05 C ATOM 991 CG LYS A 71 24.550 -1.457 -0.213 1.00 1.35 C ATOM 992 CD LYS A 71 25.780 -0.816 -0.848 1.00 1.91 C ATOM 993 CE LYS A 71 27.049 -1.119 -0.061 1.00 2.53 C ATOM 994 NZ LYS A 71 27.720 -2.360 -0.535 1.00 3.25 N ATOM 0 H LYS A 71 24.374 -5.013 -1.933 1.00 0.76 H new ATOM 0 HA LYS A 71 22.447 -3.010 -1.546 1.00 0.94 H new ATOM 0 HB2 LYS A 71 23.968 -3.477 0.203 1.00 1.05 H new ATOM 0 HB3 LYS A 71 25.367 -3.335 -0.843 1.00 1.05 H new ATOM 0 HG2 LYS A 71 23.661 -0.894 -0.497 1.00 1.35 H new ATOM 0 HG3 LYS A 71 24.631 -1.400 0.872 1.00 1.35 H new ATOM 0 HD2 LYS A 71 25.891 -1.178 -1.870 1.00 1.91 H new ATOM 0 HD3 LYS A 71 25.638 0.263 -0.906 1.00 1.91 H new ATOM 0 HE2 LYS A 71 27.738 -0.279 -0.148 1.00 2.53 H new ATOM 0 HE3 LYS A 71 26.804 -1.221 0.996 1.00 2.53 H new ATOM 0 HZ1 LYS A 71 27.774 -3.045 0.246 1.00 3.25 H new ATOM 0 HZ2 LYS A 71 27.175 -2.771 -1.319 1.00 3.25 H new ATOM 0 HZ3 LYS A 71 28.680 -2.132 -0.863 1.00 3.25 H new ATOM 1008 N LYS A 72 24.824 -2.319 -3.721 1.00 0.95 N ATOM 1009 CA LYS A 72 25.208 -1.404 -4.788 1.00 1.08 C ATOM 1010 C LYS A 72 24.044 -1.220 -5.752 1.00 1.06 C ATOM 1011 O LYS A 72 23.671 -0.098 -6.089 1.00 1.26 O ATOM 1012 CB LYS A 72 26.441 -1.926 -5.535 1.00 1.14 C ATOM 1013 CG LYS A 72 27.340 -0.822 -6.072 1.00 1.49 C ATOM 1014 CD LYS A 72 26.976 -0.443 -7.502 1.00 2.07 C ATOM 1015 CE LYS A 72 26.955 1.066 -7.699 1.00 2.89 C ATOM 1016 NZ LYS A 72 25.571 1.613 -7.673 1.00 3.71 N ATOM 0 H LYS A 72 25.410 -3.150 -3.646 1.00 0.95 H new ATOM 0 HA LYS A 72 25.463 -0.440 -4.347 1.00 1.08 H new ATOM 0 HB2 LYS A 72 27.020 -2.561 -4.864 1.00 1.14 H new ATOM 0 HB3 LYS A 72 26.114 -2.553 -6.365 1.00 1.14 H new ATOM 0 HG2 LYS A 72 27.260 0.056 -5.431 1.00 1.49 H new ATOM 0 HG3 LYS A 72 28.379 -1.149 -6.036 1.00 1.49 H new ATOM 0 HD2 LYS A 72 27.694 -0.889 -8.190 1.00 2.07 H new ATOM 0 HD3 LYS A 72 25.998 -0.856 -7.750 1.00 2.07 H new ATOM 0 HE2 LYS A 72 27.547 1.542 -6.918 1.00 2.89 H new ATOM 0 HE3 LYS A 72 27.425 1.314 -8.651 1.00 2.89 H new ATOM 0 HZ1 LYS A 72 25.589 2.617 -7.944 1.00 3.71 H new ATOM 0 HZ2 LYS A 72 24.976 1.084 -8.342 1.00 3.71 H new ATOM 0 HZ3 LYS A 72 25.179 1.521 -6.714 1.00 3.71 H new ATOM 1030 N LEU A 73 23.461 -2.337 -6.177 1.00 0.89 N ATOM 1031 CA LEU A 73 22.322 -2.307 -7.084 1.00 0.98 C ATOM 1032 C LEU A 73 21.240 -1.388 -6.524 1.00 1.14 C ATOM 1033 O LEU A 73 20.642 -0.597 -7.247 1.00 1.32 O ATOM 1034 CB LEU A 73 21.752 -3.719 -7.272 1.00 0.97 C ATOM 1035 CG LEU A 73 22.478 -4.610 -8.291 1.00 0.92 C ATOM 1036 CD1 LEU A 73 23.984 -4.383 -8.255 1.00 1.52 C ATOM 1037 CD2 LEU A 73 22.156 -6.076 -8.027 1.00 0.96 C ATOM 0 H LEU A 73 23.760 -3.274 -5.907 1.00 0.89 H new ATOM 0 HA LEU A 73 22.655 -1.929 -8.051 1.00 0.98 H new ATOM 0 HB2 LEU A 73 21.761 -4.224 -6.306 1.00 0.97 H new ATOM 0 HB3 LEU A 73 20.709 -3.630 -7.575 1.00 0.97 H new ATOM 0 HG LEU A 73 22.125 -4.341 -9.287 1.00 0.92 H new ATOM 0 HD11 LEU A 73 24.467 -5.029 -8.988 1.00 1.52 H new ATOM 0 HD12 LEU A 73 24.201 -3.341 -8.491 1.00 1.52 H new ATOM 0 HD13 LEU A 73 24.363 -4.616 -7.260 1.00 1.52 H new ATOM 0 HD21 LEU A 73 22.675 -6.699 -8.755 1.00 0.96 H new ATOM 0 HD22 LEU A 73 22.481 -6.345 -7.022 1.00 0.96 H new ATOM 0 HD23 LEU A 73 21.081 -6.234 -8.115 1.00 0.96 H new ATOM 1049 N SER A 74 21.003 -1.513 -5.223 1.00 1.13 N ATOM 1050 CA SER A 74 19.993 -0.718 -4.526 1.00 1.36 C ATOM 1051 C SER A 74 20.191 0.786 -4.727 1.00 1.52 C ATOM 1052 O SER A 74 19.237 1.506 -5.028 1.00 1.76 O ATOM 1053 CB SER A 74 20.027 -1.035 -3.029 1.00 1.37 C ATOM 1054 OG SER A 74 18.839 -0.606 -2.387 1.00 1.67 O ATOM 0 H SER A 74 21.504 -2.167 -4.621 1.00 1.13 H new ATOM 0 HA SER A 74 19.025 -0.985 -4.951 1.00 1.36 H new ATOM 0 HB2 SER A 74 20.154 -2.108 -2.885 1.00 1.37 H new ATOM 0 HB3 SER A 74 20.887 -0.547 -2.571 1.00 1.37 H new ATOM 0 HG SER A 74 18.887 -0.822 -1.432 1.00 1.67 H new ATOM 1060 N ASP A 75 21.416 1.263 -4.516 1.00 1.47 N ATOM 1061 CA ASP A 75 21.710 2.692 -4.634 1.00 1.71 C ATOM 1062 C ASP A 75 21.483 3.226 -6.051 1.00 1.86 C ATOM 1063 O ASP A 75 20.979 4.338 -6.217 1.00 2.14 O ATOM 1064 CB ASP A 75 23.139 3.003 -4.153 1.00 1.72 C ATOM 1065 CG ASP A 75 23.213 3.468 -2.708 1.00 1.79 C ATOM 1066 OD1 ASP A 75 22.925 2.657 -1.802 1.00 2.34 O ATOM 1067 OD2 ASP A 75 23.584 4.638 -2.480 1.00 2.15 O ATOM 0 H ASP A 75 22.218 0.686 -4.264 1.00 1.47 H new ATOM 0 HA ASP A 75 21.004 3.211 -3.985 1.00 1.71 H new ATOM 0 HB2 ASP A 75 23.754 2.110 -4.269 1.00 1.72 H new ATOM 0 HB3 ASP A 75 23.569 3.772 -4.795 1.00 1.72 H new ATOM 1072 N ASP A 76 21.863 2.453 -7.068 1.00 1.77 N ATOM 1073 CA ASP A 76 21.694 2.903 -8.452 1.00 2.01 C ATOM 1074 C ASP A 76 20.261 2.706 -8.946 1.00 1.98 C ATOM 1075 O ASP A 76 19.799 3.438 -9.822 1.00 2.28 O ATOM 1076 CB ASP A 76 22.681 2.198 -9.389 1.00 2.20 C ATOM 1077 CG ASP A 76 22.652 0.688 -9.260 1.00 2.36 C ATOM 1078 OD1 ASP A 76 21.643 0.077 -9.662 1.00 2.64 O ATOM 1079 OD2 ASP A 76 23.647 0.116 -8.768 1.00 2.89 O ATOM 0 H ASP A 76 22.282 1.529 -6.965 1.00 1.77 H new ATOM 0 HA ASP A 76 21.907 3.972 -8.464 1.00 2.01 H new ATOM 0 HB2 ASP A 76 22.454 2.473 -10.419 1.00 2.20 H new ATOM 0 HB3 ASP A 76 23.689 2.555 -9.179 1.00 2.20 H new ATOM 1084 N ASN A 77 19.561 1.717 -8.392 1.00 1.87 N ATOM 1085 CA ASN A 77 18.180 1.442 -8.795 1.00 2.13 C ATOM 1086 C ASN A 77 17.472 0.541 -7.783 1.00 1.92 C ATOM 1087 O ASN A 77 18.107 -0.254 -7.093 1.00 2.30 O ATOM 1088 CB ASN A 77 18.149 0.794 -10.187 1.00 3.00 C ATOM 1089 CG ASN A 77 18.036 -0.717 -10.127 1.00 3.68 C ATOM 1090 OD1 ASN A 77 16.935 -1.264 -10.100 1.00 3.93 O ATOM 1091 ND2 ASN A 77 19.173 -1.400 -10.090 1.00 4.42 N ATOM 0 H ASN A 77 19.923 1.096 -7.668 1.00 1.87 H new ATOM 0 HA ASN A 77 17.649 2.393 -8.830 1.00 2.13 H new ATOM 0 HB2 ASN A 77 17.307 1.195 -10.751 1.00 3.00 H new ATOM 0 HB3 ASN A 77 19.055 1.065 -10.730 1.00 3.00 H new ATOM 0 HD21 ASN A 77 19.155 -2.418 -10.037 1.00 4.42 H new ATOM 0 HD22 ASN A 77 20.065 -0.907 -10.115 1.00 4.42 H new ATOM 1098 N THR A 78 16.146 0.664 -7.711 1.00 2.42 N ATOM 1099 CA THR A 78 15.346 -0.142 -6.789 1.00 3.13 C ATOM 1100 C THR A 78 14.199 -0.842 -7.519 1.00 3.07 C ATOM 1101 O THR A 78 13.119 -1.030 -6.961 1.00 3.33 O ATOM 1102 CB THR A 78 14.802 0.735 -5.655 1.00 4.02 C ATOM 1103 OG1 THR A 78 14.114 -0.051 -4.693 1.00 4.29 O ATOM 1104 CG2 THR A 78 13.854 1.818 -6.127 1.00 4.87 C ATOM 0 H THR A 78 15.604 1.314 -8.280 1.00 2.42 H new ATOM 0 HA THR A 78 15.991 -0.911 -6.364 1.00 3.13 H new ATOM 0 HB THR A 78 15.680 1.212 -5.220 1.00 4.02 H new ATOM 0 HG1 THR A 78 13.436 -0.598 -5.142 1.00 4.29 H new ATOM 0 HG21 THR A 78 13.510 2.398 -5.271 1.00 4.87 H new ATOM 0 HG22 THR A 78 14.371 2.475 -6.826 1.00 4.87 H new ATOM 0 HG23 THR A 78 12.998 1.361 -6.624 1.00 4.87 H new ATOM 1112 N ILE A 79 14.447 -1.243 -8.762 1.00 3.06 N ATOM 1113 CA ILE A 79 13.440 -1.937 -9.561 1.00 3.21 C ATOM 1114 C ILE A 79 13.577 -3.449 -9.390 1.00 2.90 C ATOM 1115 O ILE A 79 13.811 -4.179 -10.355 1.00 3.08 O ATOM 1116 CB ILE A 79 13.553 -1.573 -11.059 1.00 3.81 C ATOM 1117 CG1 ILE A 79 13.902 -0.090 -11.230 1.00 4.11 C ATOM 1118 CG2 ILE A 79 12.253 -1.904 -11.783 1.00 4.49 C ATOM 1119 CD1 ILE A 79 14.073 0.332 -12.673 1.00 4.56 C ATOM 0 H ILE A 79 15.337 -1.100 -9.239 1.00 3.06 H new ATOM 0 HA ILE A 79 12.461 -1.616 -9.205 1.00 3.21 H new ATOM 0 HB ILE A 79 14.356 -2.165 -11.499 1.00 3.81 H new ATOM 0 HG12 ILE A 79 13.117 0.514 -10.775 1.00 4.11 H new ATOM 0 HG13 ILE A 79 14.823 0.122 -10.687 1.00 4.11 H new ATOM 0 HG21 ILE A 79 12.347 -1.643 -12.837 1.00 4.49 H new ATOM 0 HG22 ILE A 79 12.046 -2.970 -11.691 1.00 4.49 H new ATOM 0 HG23 ILE A 79 11.435 -1.336 -11.340 1.00 4.49 H new ATOM 0 HD11 ILE A 79 14.319 1.393 -12.715 1.00 4.56 H new ATOM 0 HD12 ILE A 79 14.878 -0.245 -13.128 1.00 4.56 H new ATOM 0 HD13 ILE A 79 13.146 0.152 -13.217 1.00 4.56 H new ATOM 1131 N GLY A 80 13.434 -3.908 -8.150 1.00 2.87 N ATOM 1132 CA GLY A 80 13.550 -5.326 -7.854 1.00 2.77 C ATOM 1133 C GLY A 80 14.385 -5.582 -6.616 1.00 2.49 C ATOM 1134 O GLY A 80 14.459 -6.712 -6.130 1.00 2.38 O ATOM 0 H GLY A 80 13.239 -3.319 -7.340 1.00 2.87 H new ATOM 0 HA2 GLY A 80 12.555 -5.749 -7.714 1.00 2.77 H new ATOM 0 HA3 GLY A 80 13.998 -5.838 -8.705 1.00 2.77 H new ATOM 1138 N LYS A 81 15.011 -4.525 -6.103 1.00 2.47 N ATOM 1139 CA LYS A 81 15.849 -4.622 -4.910 1.00 2.30 C ATOM 1140 C LYS A 81 15.144 -5.408 -3.811 1.00 2.13 C ATOM 1141 O LYS A 81 15.642 -6.430 -3.356 1.00 1.92 O ATOM 1142 CB LYS A 81 16.211 -3.225 -4.408 1.00 2.45 C ATOM 1143 CG LYS A 81 17.266 -3.225 -3.312 1.00 2.98 C ATOM 1144 CD LYS A 81 16.679 -2.847 -1.960 1.00 3.54 C ATOM 1145 CE LYS A 81 16.045 -1.464 -1.988 1.00 4.27 C ATOM 1146 NZ LYS A 81 14.572 -1.528 -2.201 1.00 4.40 N ATOM 0 H LYS A 81 14.953 -3.586 -6.498 1.00 2.47 H new ATOM 0 HA LYS A 81 16.763 -5.153 -5.177 1.00 2.30 H new ATOM 0 HB2 LYS A 81 16.571 -2.629 -5.247 1.00 2.45 H new ATOM 0 HB3 LYS A 81 15.311 -2.738 -4.034 1.00 2.45 H new ATOM 0 HG2 LYS A 81 17.722 -4.213 -3.247 1.00 2.98 H new ATOM 0 HG3 LYS A 81 18.060 -2.525 -3.572 1.00 2.98 H new ATOM 0 HD2 LYS A 81 15.931 -3.584 -1.669 1.00 3.54 H new ATOM 0 HD3 LYS A 81 17.463 -2.873 -1.203 1.00 3.54 H new ATOM 0 HE2 LYS A 81 16.253 -0.951 -1.049 1.00 4.27 H new ATOM 0 HE3 LYS A 81 16.501 -0.873 -2.782 1.00 4.27 H new ATOM 0 HZ1 LYS A 81 14.325 -1.016 -3.072 1.00 4.40 H new ATOM 0 HZ2 LYS A 81 14.277 -2.521 -2.288 1.00 4.40 H new ATOM 0 HZ3 LYS A 81 14.085 -1.091 -1.392 1.00 4.40 H new ATOM 1160 N GLU A 82 13.984 -4.919 -3.395 1.00 2.24 N ATOM 1161 CA GLU A 82 13.189 -5.565 -2.354 1.00 2.14 C ATOM 1162 C GLU A 82 13.201 -7.086 -2.508 1.00 1.94 C ATOM 1163 O GLU A 82 13.613 -7.806 -1.597 1.00 1.76 O ATOM 1164 CB GLU A 82 11.744 -5.049 -2.400 1.00 2.37 C ATOM 1165 CG GLU A 82 11.557 -3.792 -3.247 1.00 2.74 C ATOM 1166 CD GLU A 82 11.126 -2.577 -2.433 1.00 2.68 C ATOM 1167 OE1 GLU A 82 11.555 -2.457 -1.267 1.00 3.00 O ATOM 1168 OE2 GLU A 82 10.353 -1.750 -2.965 1.00 2.89 O ATOM 0 H GLU A 82 13.566 -4.066 -3.767 1.00 2.24 H new ATOM 0 HA GLU A 82 13.634 -5.318 -1.390 1.00 2.14 H new ATOM 0 HB2 GLU A 82 11.101 -5.837 -2.792 1.00 2.37 H new ATOM 0 HB3 GLU A 82 11.411 -4.842 -1.383 1.00 2.37 H new ATOM 0 HG2 GLU A 82 12.492 -3.565 -3.759 1.00 2.74 H new ATOM 0 HG3 GLU A 82 10.811 -3.988 -4.017 1.00 2.74 H new ATOM 1175 N GLU A 83 12.738 -7.568 -3.661 1.00 2.03 N ATOM 1176 CA GLU A 83 12.698 -9.004 -3.926 1.00 1.94 C ATOM 1177 C GLU A 83 14.077 -9.621 -3.725 1.00 1.73 C ATOM 1178 O GLU A 83 14.222 -10.650 -3.063 1.00 1.57 O ATOM 1179 CB GLU A 83 12.199 -9.276 -5.351 1.00 2.17 C ATOM 1180 CG GLU A 83 10.891 -8.573 -5.693 1.00 2.39 C ATOM 1181 CD GLU A 83 11.044 -7.539 -6.794 1.00 2.51 C ATOM 1182 OE1 GLU A 83 11.108 -7.936 -7.976 1.00 2.94 O ATOM 1183 OE2 GLU A 83 11.101 -6.332 -6.473 1.00 2.93 O ATOM 0 H GLU A 83 12.387 -6.987 -4.423 1.00 2.03 H new ATOM 0 HA GLU A 83 12.004 -9.463 -3.222 1.00 1.94 H new ATOM 0 HB2 GLU A 83 12.965 -8.961 -6.060 1.00 2.17 H new ATOM 0 HB3 GLU A 83 12.067 -10.350 -5.480 1.00 2.17 H new ATOM 0 HG2 GLU A 83 10.155 -9.316 -6.000 1.00 2.39 H new ATOM 0 HG3 GLU A 83 10.501 -8.088 -4.798 1.00 2.39 H new ATOM 1190 N ILE A 84 15.092 -8.980 -4.297 1.00 1.75 N ATOM 1191 CA ILE A 84 16.463 -9.458 -4.174 1.00 1.60 C ATOM 1192 C ILE A 84 16.851 -9.596 -2.705 1.00 1.38 C ATOM 1193 O ILE A 84 17.439 -10.595 -2.303 1.00 1.22 O ATOM 1194 CB ILE A 84 17.456 -8.510 -4.883 1.00 1.73 C ATOM 1195 CG1 ILE A 84 17.208 -8.511 -6.396 1.00 2.03 C ATOM 1196 CG2 ILE A 84 18.895 -8.904 -4.575 1.00 1.57 C ATOM 1197 CD1 ILE A 84 17.512 -9.836 -7.066 1.00 2.47 C ATOM 0 H ILE A 84 14.990 -8.129 -4.850 1.00 1.75 H new ATOM 0 HA ILE A 84 16.513 -10.435 -4.655 1.00 1.60 H new ATOM 0 HB ILE A 84 17.294 -7.500 -4.506 1.00 1.73 H new ATOM 0 HG12 ILE A 84 16.166 -8.250 -6.584 1.00 2.03 H new ATOM 0 HG13 ILE A 84 17.819 -7.734 -6.855 1.00 2.03 H new ATOM 0 HG21 ILE A 84 19.576 -8.223 -5.085 1.00 1.57 H new ATOM 0 HG22 ILE A 84 19.065 -8.850 -3.500 1.00 1.57 H new ATOM 0 HG23 ILE A 84 19.075 -9.922 -4.920 1.00 1.57 H new ATOM 0 HD11 ILE A 84 17.312 -9.758 -8.135 1.00 2.47 H new ATOM 0 HD12 ILE A 84 18.560 -10.090 -6.911 1.00 2.47 H new ATOM 0 HD13 ILE A 84 16.882 -10.614 -6.635 1.00 2.47 H new ATOM 1209 N GLN A 85 16.508 -8.587 -1.907 1.00 1.45 N ATOM 1210 CA GLN A 85 16.813 -8.595 -0.482 1.00 1.35 C ATOM 1211 C GLN A 85 16.282 -9.862 0.176 1.00 1.19 C ATOM 1212 O GLN A 85 17.009 -10.552 0.889 1.00 1.05 O ATOM 1213 CB GLN A 85 16.220 -7.356 0.199 1.00 1.56 C ATOM 1214 CG GLN A 85 17.245 -6.538 0.972 1.00 1.77 C ATOM 1215 CD GLN A 85 17.961 -5.518 0.103 1.00 2.36 C ATOM 1216 OE1 GLN A 85 18.157 -5.849 -1.169 1.00 2.80 O flip ATOM 1217 NE2 GLN A 85 18.335 -4.444 0.571 1.00 3.13 N flip ATOM 0 H GLN A 85 16.017 -7.752 -2.227 1.00 1.45 H new ATOM 0 HA GLN A 85 17.897 -8.574 -0.365 1.00 1.35 H new ATOM 0 HB2 GLN A 85 15.757 -6.722 -0.557 1.00 1.56 H new ATOM 0 HB3 GLN A 85 15.429 -7.669 0.880 1.00 1.56 H new ATOM 0 HG2 GLN A 85 16.747 -6.023 1.794 1.00 1.77 H new ATOM 0 HG3 GLN A 85 17.980 -7.210 1.416 1.00 1.77 H new ATOM 0 HE21 GLN A 85 18.165 -4.229 1.553 1.00 3.13 H new ATOM 0 HE22 GLN A 85 18.815 -3.768 -0.023 1.00 3.13 H new ATOM 1226 N GLN A 86 15.012 -10.171 -0.080 1.00 1.26 N ATOM 1227 CA GLN A 86 14.394 -11.368 0.481 1.00 1.18 C ATOM 1228 C GLN A 86 15.210 -12.604 0.122 1.00 1.03 C ATOM 1229 O GLN A 86 15.571 -13.397 0.991 1.00 0.90 O ATOM 1230 CB GLN A 86 12.956 -11.521 -0.030 1.00 1.37 C ATOM 1231 CG GLN A 86 12.020 -10.417 0.439 1.00 1.47 C ATOM 1232 CD GLN A 86 10.945 -10.091 -0.580 1.00 2.31 C ATOM 1233 OE1 GLN A 86 11.012 -8.894 -1.147 1.00 2.90 O flip ATOM 1234 NE2 GLN A 86 10.064 -10.906 -0.852 1.00 3.09 N flip ATOM 0 H GLN A 86 14.395 -9.612 -0.669 1.00 1.26 H new ATOM 0 HA GLN A 86 14.370 -11.265 1.566 1.00 1.18 H new ATOM 0 HB2 GLN A 86 12.967 -11.538 -1.120 1.00 1.37 H new ATOM 0 HB3 GLN A 86 12.563 -12.483 0.299 1.00 1.37 H new ATOM 0 HG2 GLN A 86 11.549 -10.718 1.375 1.00 1.47 H new ATOM 0 HG3 GLN A 86 12.600 -9.519 0.649 1.00 1.47 H new ATOM 0 HE21 GLN A 86 10.051 -11.816 -0.391 1.00 3.09 H new ATOM 0 HE22 GLN A 86 9.347 -10.672 -1.538 1.00 3.09 H new ATOM 1243 N ARG A 87 15.508 -12.751 -1.167 1.00 1.11 N ATOM 1244 CA ARG A 87 16.292 -13.883 -1.650 1.00 1.09 C ATOM 1245 C ARG A 87 17.661 -13.920 -0.969 1.00 0.91 C ATOM 1246 O ARG A 87 18.094 -14.959 -0.469 1.00 0.87 O ATOM 1247 CB ARG A 87 16.460 -13.799 -3.175 1.00 1.29 C ATOM 1248 CG ARG A 87 15.842 -14.967 -3.939 1.00 1.78 C ATOM 1249 CD ARG A 87 16.170 -16.314 -3.306 1.00 2.22 C ATOM 1250 NE ARG A 87 17.533 -16.362 -2.778 1.00 2.81 N ATOM 1251 CZ ARG A 87 18.083 -17.450 -2.245 1.00 3.73 C ATOM 1252 NH1 ARG A 87 17.391 -18.576 -2.174 1.00 4.21 N ATOM 1253 NH2 ARG A 87 19.326 -17.414 -1.785 1.00 4.43 N ATOM 0 H ARG A 87 15.218 -12.099 -1.896 1.00 1.11 H new ATOM 0 HA ARG A 87 15.760 -14.802 -1.404 1.00 1.09 H new ATOM 0 HB2 ARG A 87 16.011 -12.871 -3.528 1.00 1.29 H new ATOM 0 HB3 ARG A 87 17.523 -13.748 -3.410 1.00 1.29 H new ATOM 0 HG2 ARG A 87 14.760 -14.841 -3.977 1.00 1.78 H new ATOM 0 HG3 ARG A 87 16.201 -14.955 -4.968 1.00 1.78 H new ATOM 0 HD2 ARG A 87 15.464 -16.516 -2.501 1.00 2.22 H new ATOM 0 HD3 ARG A 87 16.042 -17.102 -4.048 1.00 2.22 H new ATOM 0 HE ARG A 87 18.095 -15.512 -2.821 1.00 2.81 H new ATOM 0 HH11 ARG A 87 16.435 -18.610 -2.528 1.00 4.21 H new ATOM 0 HH12 ARG A 87 17.814 -19.409 -1.765 1.00 4.21 H new ATOM 0 HH21 ARG A 87 19.865 -16.550 -1.839 1.00 4.43 H new ATOM 0 HH22 ARG A 87 19.743 -18.251 -1.377 1.00 4.43 H new ATOM 1267 N LEU A 88 18.340 -12.776 -0.958 1.00 0.87 N ATOM 1268 CA LEU A 88 19.655 -12.664 -0.342 1.00 0.78 C ATOM 1269 C LEU A 88 19.605 -13.109 1.116 1.00 0.71 C ATOM 1270 O LEU A 88 20.536 -13.741 1.613 1.00 0.67 O ATOM 1271 CB LEU A 88 20.161 -11.221 -0.435 1.00 0.86 C ATOM 1272 CG LEU A 88 21.510 -10.952 0.242 1.00 1.04 C ATOM 1273 CD1 LEU A 88 22.626 -11.707 -0.466 1.00 1.15 C ATOM 1274 CD2 LEU A 88 21.804 -9.459 0.268 1.00 1.90 C ATOM 0 H LEU A 88 17.997 -11.909 -1.372 1.00 0.87 H new ATOM 0 HA LEU A 88 20.344 -13.316 -0.879 1.00 0.78 H new ATOM 0 HB2 LEU A 88 20.241 -10.949 -1.488 1.00 0.86 H new ATOM 0 HB3 LEU A 88 19.414 -10.563 0.008 1.00 0.86 H new ATOM 0 HG LEU A 88 21.456 -11.310 1.270 1.00 1.04 H new ATOM 0 HD11 LEU A 88 23.575 -11.503 0.030 1.00 1.15 H new ATOM 0 HD12 LEU A 88 22.421 -12.777 -0.430 1.00 1.15 H new ATOM 0 HD13 LEU A 88 22.682 -11.383 -1.505 1.00 1.15 H new ATOM 0 HD21 LEU A 88 22.765 -9.286 0.752 1.00 1.90 H new ATOM 0 HD22 LEU A 88 21.837 -9.077 -0.752 1.00 1.90 H new ATOM 0 HD23 LEU A 88 21.020 -8.943 0.823 1.00 1.90 H new ATOM 1286 N ALA A 89 18.511 -12.774 1.795 1.00 0.77 N ATOM 1287 CA ALA A 89 18.343 -13.143 3.195 1.00 0.81 C ATOM 1288 C ALA A 89 18.408 -14.654 3.362 1.00 0.74 C ATOM 1289 O ALA A 89 18.926 -15.157 4.359 1.00 0.77 O ATOM 1290 CB ALA A 89 17.027 -12.598 3.734 1.00 0.97 C ATOM 0 H ALA A 89 17.731 -12.250 1.399 1.00 0.77 H new ATOM 0 HA ALA A 89 19.158 -12.702 3.769 1.00 0.81 H new ATOM 0 HB1 ALA A 89 16.917 -12.882 4.780 1.00 0.97 H new ATOM 0 HB2 ALA A 89 17.022 -11.511 3.651 1.00 0.97 H new ATOM 0 HB3 ALA A 89 16.199 -13.010 3.157 1.00 0.97 H new ATOM 1296 N GLN A 90 17.894 -15.377 2.368 1.00 0.73 N ATOM 1297 CA GLN A 90 17.911 -16.835 2.402 1.00 0.79 C ATOM 1298 C GLN A 90 19.344 -17.338 2.296 1.00 0.73 C ATOM 1299 O GLN A 90 19.762 -18.222 3.037 1.00 0.79 O ATOM 1300 CB GLN A 90 17.065 -17.417 1.266 1.00 0.90 C ATOM 1301 CG GLN A 90 15.733 -16.710 1.064 1.00 1.35 C ATOM 1302 CD GLN A 90 14.745 -17.548 0.275 1.00 1.96 C ATOM 1303 OE1 GLN A 90 15.089 -18.125 -0.758 1.00 2.38 O ATOM 1304 NE2 GLN A 90 13.510 -17.622 0.759 1.00 2.72 N ATOM 0 H GLN A 90 17.463 -14.978 1.534 1.00 0.73 H new ATOM 0 HA GLN A 90 17.483 -17.163 3.349 1.00 0.79 H new ATOM 0 HB2 GLN A 90 17.636 -17.367 0.339 1.00 0.90 H new ATOM 0 HB3 GLN A 90 16.878 -18.472 1.469 1.00 0.90 H new ATOM 0 HG2 GLN A 90 15.303 -16.466 2.036 1.00 1.35 H new ATOM 0 HG3 GLN A 90 15.901 -15.767 0.544 1.00 1.35 H new ATOM 0 HE21 GLN A 90 13.268 -17.128 1.618 1.00 2.72 H new ATOM 0 HE22 GLN A 90 12.803 -18.173 0.272 1.00 2.72 H new ATOM 1313 N PHE A 91 20.090 -16.759 1.361 1.00 0.66 N ATOM 1314 CA PHE A 91 21.483 -17.136 1.143 1.00 0.67 C ATOM 1315 C PHE A 91 22.280 -16.998 2.438 1.00 0.67 C ATOM 1316 O PHE A 91 22.969 -17.928 2.858 1.00 0.74 O ATOM 1317 CB PHE A 91 22.082 -16.265 0.030 1.00 0.65 C ATOM 1318 CG PHE A 91 23.587 -16.236 -0.015 1.00 0.66 C ATOM 1319 CD1 PHE A 91 24.306 -17.316 -0.500 1.00 0.93 C ATOM 1320 CD2 PHE A 91 24.284 -15.118 0.415 1.00 1.03 C ATOM 1321 CE1 PHE A 91 25.680 -17.282 -0.554 1.00 0.92 C ATOM 1322 CE2 PHE A 91 25.660 -15.079 0.357 1.00 1.19 C ATOM 1323 CZ PHE A 91 26.358 -16.163 -0.128 1.00 0.90 C ATOM 0 H PHE A 91 19.752 -16.024 0.740 1.00 0.66 H new ATOM 0 HA PHE A 91 21.531 -18.180 0.833 1.00 0.67 H new ATOM 0 HB2 PHE A 91 21.712 -16.624 -0.930 1.00 0.65 H new ATOM 0 HB3 PHE A 91 21.717 -15.245 0.152 1.00 0.65 H new ATOM 0 HD1 PHE A 91 23.781 -18.196 -0.840 1.00 0.93 H new ATOM 0 HD2 PHE A 91 23.742 -14.267 0.800 1.00 1.03 H new ATOM 0 HE1 PHE A 91 26.227 -18.134 -0.931 1.00 0.92 H new ATOM 0 HE2 PHE A 91 26.191 -14.200 0.691 1.00 1.19 H new ATOM 0 HZ PHE A 91 27.437 -16.135 -0.174 1.00 0.90 H new ATOM 1333 N VAL A 92 22.162 -15.841 3.082 1.00 0.64 N ATOM 1334 CA VAL A 92 22.860 -15.605 4.337 1.00 0.72 C ATOM 1335 C VAL A 92 22.480 -16.671 5.360 1.00 0.77 C ATOM 1336 O VAL A 92 23.349 -17.310 5.952 1.00 0.86 O ATOM 1337 CB VAL A 92 22.549 -14.207 4.912 1.00 0.77 C ATOM 1338 CG1 VAL A 92 23.341 -13.958 6.189 1.00 0.86 C ATOM 1339 CG2 VAL A 92 22.843 -13.128 3.876 1.00 1.37 C ATOM 0 H VAL A 92 21.594 -15.059 2.757 1.00 0.64 H new ATOM 0 HA VAL A 92 23.929 -15.657 4.129 1.00 0.72 H new ATOM 0 HB VAL A 92 21.488 -14.167 5.160 1.00 0.77 H new ATOM 0 HG11 VAL A 92 23.105 -12.967 6.576 1.00 0.86 H new ATOM 0 HG12 VAL A 92 23.078 -14.710 6.933 1.00 0.86 H new ATOM 0 HG13 VAL A 92 24.408 -14.019 5.973 1.00 0.86 H new ATOM 0 HG21 VAL A 92 22.618 -12.148 4.297 1.00 1.37 H new ATOM 0 HG22 VAL A 92 23.896 -13.170 3.596 1.00 1.37 H new ATOM 0 HG23 VAL A 92 22.226 -13.293 2.993 1.00 1.37 H new ATOM 1349 N ASP A 93 21.176 -16.882 5.540 1.00 0.77 N ATOM 1350 CA ASP A 93 20.691 -17.893 6.479 1.00 0.86 C ATOM 1351 C ASP A 93 21.356 -19.236 6.197 1.00 0.91 C ATOM 1352 O ASP A 93 21.901 -19.870 7.100 1.00 1.00 O ATOM 1353 CB ASP A 93 19.167 -18.033 6.395 1.00 0.90 C ATOM 1354 CG ASP A 93 18.653 -19.241 7.161 1.00 1.10 C ATOM 1355 OD1 ASP A 93 19.103 -19.454 8.309 1.00 1.71 O ATOM 1356 OD2 ASP A 93 17.807 -19.977 6.612 1.00 1.55 O ATOM 0 H ASP A 93 20.441 -16.370 5.052 1.00 0.77 H new ATOM 0 HA ASP A 93 20.950 -17.572 7.488 1.00 0.86 H new ATOM 0 HB2 ASP A 93 18.700 -17.131 6.789 1.00 0.90 H new ATOM 0 HB3 ASP A 93 18.870 -18.116 5.350 1.00 0.90 H new ATOM 1361 N HIS A 94 21.332 -19.651 4.935 1.00 0.89 N ATOM 1362 CA HIS A 94 21.950 -20.910 4.532 1.00 0.98 C ATOM 1363 C HIS A 94 23.392 -20.957 5.016 1.00 1.00 C ATOM 1364 O HIS A 94 23.791 -21.877 5.725 1.00 1.12 O ATOM 1365 CB HIS A 94 21.914 -21.050 3.013 1.00 1.00 C ATOM 1366 CG HIS A 94 20.550 -21.328 2.463 1.00 1.35 C ATOM 1367 ND1 HIS A 94 19.328 -20.945 2.916 1.00 2.17 N flip ATOM 1368 CD2 HIS A 94 20.316 -22.078 1.332 1.00 1.73 C flip ATOM 1369 CE1 HIS A 94 18.346 -21.457 2.072 1.00 2.46 C flip ATOM 1370 NE2 HIS A 94 18.992 -22.129 1.138 1.00 2.14 N flip ATOM 0 H HIS A 94 20.892 -19.135 4.174 1.00 0.89 H new ATOM 0 HA HIS A 94 21.393 -21.734 4.979 1.00 0.98 H new ATOM 0 HB2 HIS A 94 22.296 -20.133 2.564 1.00 1.00 H new ATOM 0 HB3 HIS A 94 22.586 -21.855 2.716 1.00 1.00 H new ATOM 0 HD1 HIS A 94 19.157 -20.373 3.743 1.00 2.17 H new ATOM 0 HD2 HIS A 94 21.068 -22.543 0.711 1.00 1.73 H new ATOM 0 HE1 HIS A 94 17.277 -21.330 2.163 1.00 2.46 H new ATOM 1378 N TRP A 95 24.164 -19.942 4.636 1.00 0.93 N ATOM 1379 CA TRP A 95 25.561 -19.845 5.041 1.00 1.00 C ATOM 1380 C TRP A 95 25.679 -20.009 6.546 1.00 1.06 C ATOM 1381 O TRP A 95 26.490 -20.789 7.038 1.00 1.16 O ATOM 1382 CB TRP A 95 26.128 -18.489 4.620 1.00 0.97 C ATOM 1383 CG TRP A 95 27.531 -18.244 5.088 1.00 1.09 C ATOM 1384 CD1 TRP A 95 27.954 -17.290 5.971 1.00 2.01 C ATOM 1385 CD2 TRP A 95 28.699 -18.966 4.690 1.00 1.04 C ATOM 1386 NE1 TRP A 95 29.317 -17.374 6.138 1.00 1.88 N ATOM 1387 CE2 TRP A 95 29.795 -18.396 5.363 1.00 1.04 C ATOM 1388 CE3 TRP A 95 28.924 -20.038 3.828 1.00 2.03 C ATOM 1389 CZ2 TRP A 95 31.093 -18.869 5.196 1.00 1.13 C ATOM 1390 CZ3 TRP A 95 30.210 -20.502 3.668 1.00 2.64 C ATOM 1391 CH2 TRP A 95 31.279 -19.919 4.349 1.00 2.05 C ATOM 0 H TRP A 95 23.843 -19.174 4.047 1.00 0.93 H new ATOM 0 HA TRP A 95 26.128 -20.638 4.554 1.00 1.00 H new ATOM 0 HB2 TRP A 95 26.101 -18.417 3.533 1.00 0.97 H new ATOM 0 HB3 TRP A 95 25.483 -17.701 5.008 1.00 0.97 H new ATOM 0 HD1 TRP A 95 27.312 -16.575 6.465 1.00 2.01 H new ATOM 0 HE1 TRP A 95 29.879 -16.773 6.741 1.00 1.88 H new ATOM 0 HE3 TRP A 95 28.104 -20.496 3.295 1.00 2.03 H new ATOM 0 HZ2 TRP A 95 31.924 -18.419 5.720 1.00 1.13 H new ATOM 0 HZ3 TRP A 95 30.395 -21.333 3.003 1.00 2.64 H new ATOM 0 HH2 TRP A 95 32.275 -20.309 4.201 1.00 2.05 H new ATOM 1402 N LYS A 96 24.848 -19.269 7.266 1.00 1.03 N ATOM 1403 CA LYS A 96 24.829 -19.318 8.724 1.00 1.12 C ATOM 1404 C LYS A 96 24.696 -20.753 9.226 1.00 1.21 C ATOM 1405 O LYS A 96 25.496 -21.202 10.044 1.00 1.32 O ATOM 1406 CB LYS A 96 23.680 -18.460 9.262 1.00 1.12 C ATOM 1407 CG LYS A 96 23.719 -18.246 10.770 1.00 1.49 C ATOM 1408 CD LYS A 96 22.798 -19.212 11.502 1.00 1.83 C ATOM 1409 CE LYS A 96 21.330 -18.897 11.245 1.00 2.36 C ATOM 1410 NZ LYS A 96 20.554 -20.112 10.876 1.00 2.86 N ATOM 0 H LYS A 96 24.172 -18.622 6.861 1.00 1.03 H new ATOM 0 HA LYS A 96 25.775 -18.920 9.090 1.00 1.12 H new ATOM 0 HB2 LYS A 96 23.703 -17.489 8.767 1.00 1.12 H new ATOM 0 HB3 LYS A 96 22.734 -18.931 8.997 1.00 1.12 H new ATOM 0 HG2 LYS A 96 24.740 -18.375 11.129 1.00 1.49 H new ATOM 0 HG3 LYS A 96 23.427 -17.221 10.999 1.00 1.49 H new ATOM 0 HD2 LYS A 96 23.012 -20.232 11.182 1.00 1.83 H new ATOM 0 HD3 LYS A 96 22.998 -19.165 12.572 1.00 1.83 H new ATOM 0 HE2 LYS A 96 20.895 -18.446 12.137 1.00 2.36 H new ATOM 0 HE3 LYS A 96 21.252 -18.161 10.445 1.00 2.36 H new ATOM 0 HZ1 LYS A 96 20.017 -19.930 10.004 1.00 2.86 H new ATOM 0 HZ2 LYS A 96 21.207 -20.907 10.721 1.00 2.86 H new ATOM 0 HZ3 LYS A 96 19.895 -20.350 11.645 1.00 2.86 H new ATOM 1424 N GLU A 97 23.686 -21.471 8.740 1.00 1.20 N ATOM 1425 CA GLU A 97 23.474 -22.852 9.162 1.00 1.32 C ATOM 1426 C GLU A 97 24.716 -23.693 8.874 1.00 1.36 C ATOM 1427 O GLU A 97 25.145 -24.489 9.708 1.00 1.47 O ATOM 1428 CB GLU A 97 22.229 -23.446 8.481 1.00 1.36 C ATOM 1429 CG GLU A 97 22.518 -24.336 7.276 1.00 1.86 C ATOM 1430 CD GLU A 97 22.980 -25.731 7.662 1.00 2.35 C ATOM 1431 OE1 GLU A 97 22.354 -26.343 8.552 1.00 3.03 O ATOM 1432 OE2 GLU A 97 23.968 -26.214 7.069 1.00 2.68 O ATOM 0 H GLU A 97 23.009 -21.124 8.061 1.00 1.20 H new ATOM 0 HA GLU A 97 23.300 -22.863 10.238 1.00 1.32 H new ATOM 0 HB2 GLU A 97 21.672 -24.026 9.217 1.00 1.36 H new ATOM 0 HB3 GLU A 97 21.582 -22.628 8.163 1.00 1.36 H new ATOM 0 HG2 GLU A 97 21.618 -24.414 6.665 1.00 1.86 H new ATOM 0 HG3 GLU A 97 23.283 -23.864 6.659 1.00 1.86 H new ATOM 1439 N LEU A 98 25.300 -23.495 7.696 1.00 1.31 N ATOM 1440 CA LEU A 98 26.501 -24.221 7.300 1.00 1.37 C ATOM 1441 C LEU A 98 27.628 -23.956 8.289 1.00 1.42 C ATOM 1442 O LEU A 98 28.271 -24.881 8.777 1.00 1.54 O ATOM 1443 CB LEU A 98 26.925 -23.808 5.886 1.00 1.31 C ATOM 1444 CG LEU A 98 27.392 -24.950 4.973 1.00 1.61 C ATOM 1445 CD1 LEU A 98 28.612 -25.648 5.559 1.00 2.07 C ATOM 1446 CD2 LEU A 98 26.263 -25.945 4.734 1.00 2.38 C ATOM 0 H LEU A 98 24.959 -22.835 6.997 1.00 1.31 H new ATOM 0 HA LEU A 98 26.282 -25.289 7.302 1.00 1.37 H new ATOM 0 HB2 LEU A 98 26.085 -23.304 5.407 1.00 1.31 H new ATOM 0 HB3 LEU A 98 27.731 -23.078 5.966 1.00 1.31 H new ATOM 0 HG LEU A 98 27.677 -24.521 4.012 1.00 1.61 H new ATOM 0 HD11 LEU A 98 28.925 -26.453 4.894 1.00 2.07 H new ATOM 0 HD12 LEU A 98 29.425 -24.930 5.667 1.00 2.07 H new ATOM 0 HD13 LEU A 98 28.361 -26.061 6.536 1.00 2.07 H new ATOM 0 HD21 LEU A 98 26.616 -26.746 4.084 1.00 2.38 H new ATOM 0 HD22 LEU A 98 25.941 -26.365 5.687 1.00 2.38 H new ATOM 0 HD23 LEU A 98 25.424 -25.436 4.260 1.00 2.38 H new ATOM 1458 N LYS A 99 27.843 -22.682 8.592 1.00 1.38 N ATOM 1459 CA LYS A 99 28.877 -22.280 9.532 1.00 1.47 C ATOM 1460 C LYS A 99 28.653 -22.954 10.883 1.00 1.60 C ATOM 1461 O LYS A 99 29.569 -23.551 11.451 1.00 1.74 O ATOM 1462 CB LYS A 99 28.882 -20.752 9.678 1.00 1.45 C ATOM 1463 CG LYS A 99 30.181 -20.105 9.214 1.00 1.90 C ATOM 1464 CD LYS A 99 30.333 -18.689 9.753 1.00 2.41 C ATOM 1465 CE LYS A 99 31.796 -18.328 9.972 1.00 3.14 C ATOM 1466 NZ LYS A 99 32.617 -18.548 8.749 1.00 4.07 N ATOM 0 H LYS A 99 27.311 -21.907 8.197 1.00 1.38 H new ATOM 0 HA LYS A 99 29.849 -22.595 9.152 1.00 1.47 H new ATOM 0 HB2 LYS A 99 28.053 -20.337 9.105 1.00 1.45 H new ATOM 0 HB3 LYS A 99 28.709 -20.493 10.723 1.00 1.45 H new ATOM 0 HG2 LYS A 99 31.026 -20.711 9.541 1.00 1.90 H new ATOM 0 HG3 LYS A 99 30.207 -20.084 8.125 1.00 1.90 H new ATOM 0 HD2 LYS A 99 29.884 -17.983 9.055 1.00 2.41 H new ATOM 0 HD3 LYS A 99 29.790 -18.597 10.693 1.00 2.41 H new ATOM 0 HE2 LYS A 99 31.870 -17.283 10.274 1.00 3.14 H new ATOM 0 HE3 LYS A 99 32.198 -18.926 10.790 1.00 3.14 H new ATOM 0 HZ1 LYS A 99 33.622 -18.404 8.975 1.00 4.07 H new ATOM 0 HZ2 LYS A 99 32.475 -19.519 8.406 1.00 4.07 H new ATOM 0 HZ3 LYS A 99 32.328 -17.874 8.011 1.00 4.07 H new ATOM 1480 N GLN A 100 27.422 -22.876 11.378 1.00 1.58 N ATOM 1481 CA GLN A 100 27.062 -23.496 12.650 1.00 1.72 C ATOM 1482 C GLN A 100 27.348 -24.995 12.609 1.00 1.81 C ATOM 1483 O GLN A 100 28.027 -25.532 13.486 1.00 1.95 O ATOM 1484 CB GLN A 100 25.583 -23.245 12.966 1.00 1.71 C ATOM 1485 CG GLN A 100 25.347 -22.150 14.001 1.00 1.93 C ATOM 1486 CD GLN A 100 26.281 -20.964 13.841 1.00 2.66 C ATOM 1487 OE1 GLN A 100 26.826 -20.454 14.819 1.00 3.23 O ATOM 1488 NE2 GLN A 100 26.472 -20.518 12.605 1.00 3.33 N ATOM 0 H GLN A 100 26.654 -22.388 10.917 1.00 1.58 H new ATOM 0 HA GLN A 100 27.667 -23.048 13.438 1.00 1.72 H new ATOM 0 HB2 GLN A 100 25.066 -22.977 12.045 1.00 1.71 H new ATOM 0 HB3 GLN A 100 25.136 -24.172 13.325 1.00 1.71 H new ATOM 0 HG2 GLN A 100 24.316 -21.805 13.926 1.00 1.93 H new ATOM 0 HG3 GLN A 100 25.471 -22.570 14.999 1.00 1.93 H new ATOM 0 HE21 GLN A 100 26.001 -20.970 11.821 1.00 3.33 H new ATOM 0 HE22 GLN A 100 27.090 -19.724 12.439 1.00 3.33 H new ATOM 1497 N LEU A 101 26.841 -25.664 11.574 1.00 1.77 N ATOM 1498 CA LEU A 101 27.057 -27.097 11.410 1.00 1.89 C ATOM 1499 C LEU A 101 28.549 -27.406 11.443 1.00 1.96 C ATOM 1500 O LEU A 101 28.988 -28.319 12.142 1.00 2.12 O ATOM 1501 CB LEU A 101 26.445 -27.578 10.089 1.00 1.86 C ATOM 1502 CG LEU A 101 26.116 -29.076 10.026 1.00 2.09 C ATOM 1503 CD1 LEU A 101 25.169 -29.363 8.868 1.00 2.59 C ATOM 1504 CD2 LEU A 101 27.389 -29.904 9.898 1.00 2.56 C ATOM 0 H LEU A 101 26.279 -25.235 10.839 1.00 1.77 H new ATOM 0 HA LEU A 101 26.570 -27.623 12.231 1.00 1.89 H new ATOM 0 HB2 LEU A 101 25.531 -27.014 9.904 1.00 1.86 H new ATOM 0 HB3 LEU A 101 27.135 -27.340 9.280 1.00 1.86 H new ATOM 0 HG LEU A 101 25.621 -29.358 10.955 1.00 2.09 H new ATOM 0 HD11 LEU A 101 24.945 -30.429 8.837 1.00 2.59 H new ATOM 0 HD12 LEU A 101 24.245 -28.802 9.006 1.00 2.59 H new ATOM 0 HD13 LEU A 101 25.639 -29.063 7.931 1.00 2.59 H new ATOM 0 HD21 LEU A 101 27.132 -30.962 9.855 1.00 2.56 H new ATOM 0 HD22 LEU A 101 27.917 -29.622 8.987 1.00 2.56 H new ATOM 0 HD23 LEU A 101 28.030 -29.721 10.760 1.00 2.56 H new ATOM 1516 N ALA A 102 29.326 -26.627 10.693 1.00 1.86 N ATOM 1517 CA ALA A 102 30.772 -26.802 10.645 1.00 1.95 C ATOM 1518 C ALA A 102 31.354 -26.821 12.053 1.00 2.09 C ATOM 1519 O ALA A 102 32.097 -27.731 12.416 1.00 2.24 O ATOM 1520 CB ALA A 102 31.410 -25.696 9.815 1.00 1.85 C ATOM 0 H ALA A 102 28.975 -25.867 10.110 1.00 1.86 H new ATOM 0 HA ALA A 102 30.992 -27.759 10.172 1.00 1.95 H new ATOM 0 HB1 ALA A 102 32.490 -25.839 9.787 1.00 1.85 H new ATOM 0 HB2 ALA A 102 31.014 -25.728 8.800 1.00 1.85 H new ATOM 0 HB3 ALA A 102 31.183 -24.728 10.263 1.00 1.85 H new ATOM 1526 N ALA A 103 30.999 -25.811 12.846 1.00 2.07 N ATOM 1527 CA ALA A 103 31.476 -25.713 14.221 1.00 2.24 C ATOM 1528 C ALA A 103 31.206 -27.010 14.977 1.00 2.38 C ATOM 1529 O ALA A 103 32.104 -27.578 15.599 1.00 2.56 O ATOM 1530 CB ALA A 103 30.819 -24.536 14.928 1.00 2.21 C ATOM 0 H ALA A 103 30.383 -25.050 12.558 1.00 2.07 H new ATOM 0 HA ALA A 103 32.553 -25.547 14.201 1.00 2.24 H new ATOM 0 HB1 ALA A 103 31.185 -24.477 15.953 1.00 2.21 H new ATOM 0 HB2 ALA A 103 31.063 -23.613 14.401 1.00 2.21 H new ATOM 0 HB3 ALA A 103 29.738 -24.674 14.937 1.00 2.21 H new ATOM 1536 N ALA A 104 29.960 -27.474 14.912 1.00 2.34 N ATOM 1537 CA ALA A 104 29.571 -28.711 15.580 1.00 2.50 C ATOM 1538 C ALA A 104 30.440 -29.867 15.097 1.00 2.58 C ATOM 1539 O ALA A 104 30.883 -30.704 15.884 1.00 2.74 O ATOM 1540 CB ALA A 104 28.099 -29.009 15.331 1.00 2.48 C ATOM 0 H ALA A 104 29.205 -27.012 14.405 1.00 2.34 H new ATOM 0 HA ALA A 104 29.720 -28.590 16.653 1.00 2.50 H new ATOM 0 HB1 ALA A 104 27.825 -29.935 15.836 1.00 2.48 H new ATOM 0 HB2 ALA A 104 27.492 -28.191 15.718 1.00 2.48 H new ATOM 0 HB3 ALA A 104 27.925 -29.115 14.260 1.00 2.48 H new ATOM 1546 N ARG A 105 30.685 -29.898 13.791 1.00 2.50 N ATOM 1547 CA ARG A 105 31.508 -30.937 13.187 1.00 2.60 C ATOM 1548 C ARG A 105 32.895 -30.945 13.820 1.00 2.72 C ATOM 1549 O ARG A 105 33.458 -32.005 14.090 1.00 2.88 O ATOM 1550 CB ARG A 105 31.617 -30.714 11.674 1.00 2.49 C ATOM 1551 CG ARG A 105 31.168 -31.909 10.842 1.00 2.62 C ATOM 1552 CD ARG A 105 32.319 -32.513 10.052 1.00 2.76 C ATOM 1553 NE ARG A 105 32.439 -33.950 10.281 1.00 3.19 N ATOM 1554 CZ ARG A 105 33.384 -34.709 9.738 1.00 3.86 C ATOM 1555 NH1 ARG A 105 34.285 -34.173 8.926 1.00 4.39 N ATOM 1556 NH2 ARG A 105 33.426 -36.005 10.005 1.00 4.42 N ATOM 0 H ARG A 105 30.323 -29.212 13.129 1.00 2.50 H new ATOM 0 HA ARG A 105 31.037 -31.904 13.365 1.00 2.60 H new ATOM 0 HB2 ARG A 105 31.017 -29.846 11.400 1.00 2.49 H new ATOM 0 HB3 ARG A 105 32.651 -30.478 11.425 1.00 2.49 H new ATOM 0 HG2 ARG A 105 30.740 -32.667 11.497 1.00 2.62 H new ATOM 0 HG3 ARG A 105 30.380 -31.599 10.156 1.00 2.62 H new ATOM 0 HD2 ARG A 105 32.168 -32.326 8.989 1.00 2.76 H new ATOM 0 HD3 ARG A 105 33.250 -32.021 10.333 1.00 2.76 H new ATOM 0 HE ARG A 105 31.757 -34.397 10.894 1.00 3.19 H new ATOM 0 HH11 ARG A 105 34.254 -33.175 8.717 1.00 4.39 H new ATOM 0 HH12 ARG A 105 35.010 -34.759 8.511 1.00 4.39 H new ATOM 0 HH21 ARG A 105 32.733 -36.420 10.627 1.00 4.42 H new ATOM 0 HH22 ARG A 105 34.152 -36.588 9.588 1.00 4.42 H new ATOM 1570 N GLY A 106 33.434 -29.750 14.058 1.00 2.67 N ATOM 1571 CA GLY A 106 34.749 -29.632 14.665 1.00 2.83 C ATOM 1572 C GLY A 106 34.840 -30.395 15.970 1.00 3.06 C ATOM 1573 O GLY A 106 35.858 -31.025 16.258 1.00 3.27 O ATOM 0 H GLY A 106 32.982 -28.862 13.841 1.00 2.67 H new ATOM 0 HA2 GLY A 106 35.503 -30.006 13.973 1.00 2.83 H new ATOM 0 HA3 GLY A 106 34.973 -28.580 14.843 1.00 2.83 H new ATOM 1577 N GLN A 107 33.766 -30.345 16.756 1.00 3.06 N ATOM 1578 CA GLN A 107 33.718 -31.047 18.033 1.00 3.32 C ATOM 1579 C GLN A 107 33.856 -32.549 17.808 1.00 3.48 C ATOM 1580 O GLN A 107 34.549 -33.240 18.555 1.00 3.75 O ATOM 1581 CB GLN A 107 32.401 -30.749 18.761 1.00 3.32 C ATOM 1582 CG GLN A 107 32.568 -29.909 20.018 1.00 3.59 C ATOM 1583 CD GLN A 107 32.919 -30.736 21.242 1.00 3.56 C ATOM 1584 OE1 GLN A 107 32.210 -31.842 21.442 1.00 3.65 O flip ATOM 1585 NE2 GLN A 107 33.820 -30.382 22.003 1.00 4.07 N flip ATOM 0 H GLN A 107 32.918 -29.825 16.529 1.00 3.06 H new ATOM 0 HA GLN A 107 34.546 -30.699 18.651 1.00 3.32 H new ATOM 0 HB2 GLN A 107 31.728 -30.232 18.077 1.00 3.32 H new ATOM 0 HB3 GLN A 107 31.923 -31.692 19.027 1.00 3.32 H new ATOM 0 HG2 GLN A 107 33.349 -29.167 19.851 1.00 3.59 H new ATOM 0 HG3 GLN A 107 31.644 -29.362 20.208 1.00 3.59 H new ATOM 0 HE21 GLN A 107 34.341 -29.526 21.813 1.00 4.07 H new ATOM 0 HE22 GLN A 107 34.046 -30.945 22.823 1.00 4.07 H new