USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 978 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 70 GLN : amide:sc= -1.88 K(o=-1.5,f=-7.3!) USER MOD Set 1.2: A 97 SER OG : rot -63:sc= 0.377 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ 166:sc= -0.0517 (180deg=-0.373) USER MOD Single : A 3 HIS : no HD1:sc= -0.195 X(o=-0.2,f=-0.039) USER MOD Single : A 4 LYS NZ :NH3+ -142:sc= -0.0697 (180deg=-0.904) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0178) USER MOD Single : A 12 ASN : amide:sc= -0.306 K(o=-0.31,f=-5!) USER MOD Single : A 16 HIS : no HD1:sc= -0.0986 X(o=-0.099,f=-0.0016) USER MOD Single : A 21 GLN : amide:sc= -2.04 K(o=-2,f=-3.7) USER MOD Single : A 23 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.5) USER MOD Single : A 24 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.011) USER MOD Single : A 28 LYS NZ :NH3+ 143:sc= -0.55 (180deg=-1.47!) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -3.84 K(o=-3.8,f=-5.1!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -4.78! C(o=-4.8!,f=-7.2!) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 44 ASN : amide:sc=-0.00698 K(o=-0.007,f=-2.5) USER MOD Single : A 46 ASN : amide:sc=-0.000646 K(o=-0.00065,f=-1.4) USER MOD Single : A 47 LYS NZ :NH3+ 156:sc= -0.0643 (180deg=-0.414) USER MOD Single : A 48 SER OG : rot 160:sc= 0.515 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.25 K(o=-0.25,f=-0.89) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot -32:sc= 0.496 USER MOD Single : A 65 MET CE :methyl -154:sc= -1.72 (180deg=-2.18!) USER MOD Single : A 78 LYS NZ :NH3+ -109:sc= 0.336 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.33 X(o=-0.33,f=-0.47) USER MOD Single : A 89 ASN : amide:sc= -1.03 K(o=-1,f=-2.1!) USER MOD Single : A 90 TYR OH : rot 173:sc= -0.659 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 84:sc= 1.18 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 63:sc= -0.131 USER MOD Single : A 109 GLN : amide:sc= -0.318 X(o=-0.32,f=-0.13) USER MOD Single : A 110 LYS NZ :NH3+ -176:sc= -0.063 (180deg=-0.0807) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 116 THR OG1 : rot -150:sc= -0.136 USER MOD Single : A 117 GLN : amide:sc= -0.272 K(o=-0.27,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 3.382 11.537 -20.797 1.00 0.00 N ATOM 2 CA GLN A 1 4.565 12.359 -20.566 1.00 0.00 C ATOM 3 C GLN A 1 4.225 13.842 -20.673 1.00 0.00 C ATOM 4 O GLN A 1 5.055 14.648 -21.090 1.00 0.00 O ATOM 5 CB GLN A 1 5.664 12.001 -21.567 1.00 0.00 C ATOM 6 CG GLN A 1 5.215 12.081 -23.017 1.00 0.00 C ATOM 7 CD GLN A 1 6.354 11.861 -23.993 1.00 0.00 C ATOM 8 OE1 GLN A 1 6.953 12.814 -24.492 1.00 0.00 O ATOM 9 NE2 GLN A 1 6.661 10.599 -24.271 1.00 0.00 N ATOM 0 H1 GLN A 1 3.670 10.550 -20.955 1.00 0.00 H new ATOM 0 H2 GLN A 1 2.757 11.586 -19.967 1.00 0.00 H new ATOM 0 H3 GLN A 1 2.874 11.888 -21.634 1.00 0.00 H new ATOM 0 HA GLN A 1 4.925 12.159 -19.557 1.00 0.00 H new ATOM 0 HB2 GLN A 1 6.511 12.672 -21.420 1.00 0.00 H new ATOM 0 HB3 GLN A 1 6.018 10.991 -21.360 1.00 0.00 H new ATOM 0 HG2 GLN A 1 4.440 11.336 -23.195 1.00 0.00 H new ATOM 0 HG3 GLN A 1 4.767 13.057 -23.201 1.00 0.00 H new ATOM 0 HE21 GLN A 1 6.139 9.839 -23.835 1.00 0.00 H new ATOM 0 HE22 GLN A 1 7.419 10.390 -24.921 1.00 0.00 H new ATOM 18 N GLU A 2 3.001 14.193 -20.293 1.00 0.00 N ATOM 19 CA GLU A 2 2.552 15.580 -20.349 1.00 0.00 C ATOM 20 C GLU A 2 2.419 16.165 -18.946 1.00 0.00 C ATOM 21 O GLU A 2 2.789 17.314 -18.702 1.00 0.00 O ATOM 22 CB GLU A 2 1.214 15.677 -21.083 1.00 0.00 C ATOM 23 CG GLU A 2 1.343 15.621 -22.595 1.00 0.00 C ATOM 24 CD GLU A 2 0.023 15.332 -23.284 1.00 0.00 C ATOM 25 OE1 GLU A 2 -0.932 16.114 -23.090 1.00 0.00 O ATOM 26 OE2 GLU A 2 -0.055 14.324 -24.018 1.00 0.00 O ATOM 0 H GLU A 2 2.303 13.537 -19.943 1.00 0.00 H new ATOM 0 HA GLU A 2 3.300 16.156 -20.895 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.568 14.864 -20.752 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.723 16.609 -20.803 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.737 16.570 -22.957 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.066 14.851 -22.866 1.00 0.00 H new ATOM 33 N HIS A 3 1.888 15.366 -18.026 1.00 0.00 N ATOM 34 CA HIS A 3 1.705 15.804 -16.646 1.00 0.00 C ATOM 35 C HIS A 3 2.686 15.095 -15.717 1.00 0.00 C ATOM 36 O HIS A 3 2.954 13.903 -15.872 1.00 0.00 O ATOM 37 CB HIS A 3 0.271 15.539 -16.191 1.00 0.00 C ATOM 38 CG HIS A 3 -0.174 14.125 -16.404 1.00 0.00 C ATOM 39 ND1 HIS A 3 -1.002 13.745 -17.440 1.00 0.00 N ATOM 40 CD2 HIS A 3 0.098 12.996 -15.709 1.00 0.00 C ATOM 41 CE1 HIS A 3 -1.219 12.444 -17.372 1.00 0.00 C ATOM 42 NE2 HIS A 3 -0.563 11.965 -16.330 1.00 0.00 N ATOM 0 H HIS A 3 1.577 14.412 -18.211 1.00 0.00 H new ATOM 0 HA HIS A 3 1.900 16.876 -16.602 1.00 0.00 H new ATOM 0 HB2 HIS A 3 0.184 15.783 -15.132 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -0.401 16.208 -16.729 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.720 12.920 -14.829 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -1.829 11.869 -18.053 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -0.550 10.989 -16.035 1.00 0.00 H new ATOM 50 N LYS A 4 3.220 15.836 -14.751 1.00 0.00 N ATOM 51 CA LYS A 4 4.170 15.278 -13.796 1.00 0.00 C ATOM 52 C LYS A 4 3.454 14.762 -12.553 1.00 0.00 C ATOM 53 O LYS A 4 2.316 15.134 -12.264 1.00 0.00 O ATOM 54 CB LYS A 4 5.204 16.335 -13.400 1.00 0.00 C ATOM 55 CG LYS A 4 6.414 16.377 -14.319 1.00 0.00 C ATOM 56 CD LYS A 4 6.115 17.136 -15.600 1.00 0.00 C ATOM 57 CE LYS A 4 6.417 18.620 -15.452 1.00 0.00 C ATOM 58 NZ LYS A 4 5.238 19.379 -14.951 1.00 0.00 N ATOM 0 H LYS A 4 3.011 16.824 -14.609 1.00 0.00 H new ATOM 0 HA LYS A 4 4.678 14.440 -14.274 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.727 17.315 -13.397 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.539 16.140 -12.381 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.249 16.850 -13.801 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.724 15.360 -14.561 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.708 16.723 -16.416 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.067 17.002 -15.868 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.253 18.754 -14.766 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.727 19.025 -16.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.193 20.303 -15.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.369 18.844 -15.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.327 19.521 -13.925 1.00 0.00 H new ATOM 72 N PRO A 5 4.132 13.887 -11.797 1.00 0.00 N ATOM 73 CA PRO A 5 3.580 13.303 -10.572 1.00 0.00 C ATOM 74 C PRO A 5 3.456 14.326 -9.448 1.00 0.00 C ATOM 75 O PRO A 5 3.721 15.512 -9.641 1.00 0.00 O ATOM 76 CB PRO A 5 4.600 12.223 -10.202 1.00 0.00 C ATOM 77 CG PRO A 5 5.877 12.682 -10.818 1.00 0.00 C ATOM 78 CD PRO A 5 5.493 13.400 -12.081 1.00 0.00 C ATOM 0 HA PRO A 5 2.570 12.921 -10.722 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.696 12.122 -9.121 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.302 11.248 -10.588 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.420 13.343 -10.143 1.00 0.00 H new ATOM 0 HG3 PRO A 5 6.532 11.838 -11.033 1.00 0.00 H new ATOM 0 HD2 PRO A 5 6.176 14.221 -12.300 1.00 0.00 H new ATOM 0 HD3 PRO A 5 5.509 12.733 -12.943 1.00 0.00 H new ATOM 86 N LYS A 6 3.051 13.858 -8.271 1.00 0.00 N ATOM 87 CA LYS A 6 2.893 14.732 -7.114 1.00 0.00 C ATOM 88 C LYS A 6 4.198 15.453 -6.795 1.00 0.00 C ATOM 89 O LYS A 6 5.239 14.823 -6.606 1.00 0.00 O ATOM 90 CB LYS A 6 2.434 13.924 -5.898 1.00 0.00 C ATOM 91 CG LYS A 6 3.359 12.770 -5.551 1.00 0.00 C ATOM 92 CD LYS A 6 2.606 11.636 -4.874 1.00 0.00 C ATOM 93 CE LYS A 6 1.725 10.885 -5.861 1.00 0.00 C ATOM 94 NZ LYS A 6 2.458 9.767 -6.518 1.00 0.00 N ATOM 0 H LYS A 6 2.826 12.879 -8.094 1.00 0.00 H new ATOM 0 HA LYS A 6 2.135 15.478 -7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.358 14.589 -5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.434 13.533 -6.088 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.837 12.400 -6.458 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.153 13.124 -4.894 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.317 10.945 -4.421 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.992 12.036 -4.067 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.851 10.491 -5.342 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.360 11.576 -6.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.824 9.280 -7.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.277 10.145 -7.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.785 9.094 -5.795 1.00 0.00 H new ATOM 108 N LYS A 7 4.136 16.780 -6.734 1.00 0.00 N ATOM 109 CA LYS A 7 5.311 17.588 -6.434 1.00 0.00 C ATOM 110 C LYS A 7 5.573 17.632 -4.932 1.00 0.00 C ATOM 111 O LYS A 7 4.650 17.502 -4.128 1.00 0.00 O ATOM 112 CB LYS A 7 5.130 19.009 -6.973 1.00 0.00 C ATOM 113 CG LYS A 7 6.439 19.723 -7.260 1.00 0.00 C ATOM 114 CD LYS A 7 6.310 21.224 -7.068 1.00 0.00 C ATOM 115 CE LYS A 7 7.630 21.935 -7.323 1.00 0.00 C ATOM 116 NZ LYS A 7 8.609 21.697 -6.226 1.00 0.00 N ATOM 0 H LYS A 7 3.283 17.318 -6.889 1.00 0.00 H new ATOM 0 HA LYS A 7 6.171 17.128 -6.921 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.540 18.969 -7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.559 19.592 -6.251 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.217 19.337 -6.601 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.753 19.512 -8.282 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.549 21.614 -7.744 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.973 21.434 -6.053 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.052 21.590 -8.267 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.452 23.006 -7.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.470 22.252 -6.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.191 21.986 -5.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.850 20.686 -6.189 1.00 0.00 H new ATOM 130 N ASP A 8 6.835 17.817 -4.562 1.00 0.00 N ATOM 131 CA ASP A 8 7.218 17.882 -3.155 1.00 0.00 C ATOM 132 C ASP A 8 6.467 19.001 -2.439 1.00 0.00 C ATOM 133 O ASP A 8 6.039 18.841 -1.295 1.00 0.00 O ATOM 134 CB ASP A 8 8.726 18.097 -3.024 1.00 0.00 C ATOM 135 CG ASP A 8 9.508 16.804 -3.144 1.00 0.00 C ATOM 136 OD1 ASP A 8 9.191 15.849 -2.405 1.00 0.00 O ATOM 137 OD2 ASP A 8 10.438 16.747 -3.976 1.00 0.00 O ATOM 0 H ASP A 8 7.611 17.925 -5.216 1.00 0.00 H new ATOM 0 HA ASP A 8 6.953 16.934 -2.687 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.059 18.792 -3.794 1.00 0.00 H new ATOM 0 HB3 ASP A 8 8.942 18.561 -2.061 1.00 0.00 H new ATOM 142 N ASP A 9 6.312 20.132 -3.118 1.00 0.00 N ATOM 143 CA ASP A 9 5.614 21.278 -2.546 1.00 0.00 C ATOM 144 C ASP A 9 4.178 20.914 -2.186 1.00 0.00 C ATOM 145 O ASP A 9 3.678 21.291 -1.125 1.00 0.00 O ATOM 146 CB ASP A 9 5.625 22.450 -3.528 1.00 0.00 C ATOM 147 CG ASP A 9 4.996 23.699 -2.944 1.00 0.00 C ATOM 148 OD1 ASP A 9 4.823 23.755 -1.709 1.00 0.00 O ATOM 149 OD2 ASP A 9 4.676 24.623 -3.722 1.00 0.00 O ATOM 0 H ASP A 9 6.660 20.280 -4.065 1.00 0.00 H new ATOM 0 HA ASP A 9 6.135 21.572 -1.635 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.653 22.666 -3.820 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.089 22.166 -4.434 1.00 0.00 H new ATOM 154 N PHE A 10 3.518 20.180 -3.076 1.00 0.00 N ATOM 155 CA PHE A 10 2.137 19.767 -2.852 1.00 0.00 C ATOM 156 C PHE A 10 2.040 18.809 -1.668 1.00 0.00 C ATOM 157 O PHE A 10 2.323 17.618 -1.795 1.00 0.00 O ATOM 158 CB PHE A 10 1.572 19.099 -4.109 1.00 0.00 C ATOM 159 CG PHE A 10 0.072 19.050 -4.138 1.00 0.00 C ATOM 160 CD1 PHE A 10 -0.625 18.238 -3.257 1.00 0.00 C ATOM 161 CD2 PHE A 10 -0.643 19.813 -5.047 1.00 0.00 C ATOM 162 CE1 PHE A 10 -2.006 18.190 -3.281 1.00 0.00 C ATOM 163 CE2 PHE A 10 -2.023 19.769 -5.075 1.00 0.00 C ATOM 164 CZ PHE A 10 -2.706 18.955 -4.192 1.00 0.00 C ATOM 0 H PHE A 10 3.917 19.859 -3.958 1.00 0.00 H new ATOM 0 HA PHE A 10 1.551 20.657 -2.626 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.927 19.637 -4.988 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.962 18.084 -4.178 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.082 17.636 -2.543 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.115 20.449 -5.742 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.537 17.555 -2.588 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.568 20.371 -5.787 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.785 18.917 -4.215 1.00 0.00 H new ATOM 174 N ARG A 11 1.640 19.340 -0.517 1.00 0.00 N ATOM 175 CA ARG A 11 1.507 18.535 0.690 1.00 0.00 C ATOM 176 C ARG A 11 0.228 18.890 1.443 1.00 0.00 C ATOM 177 O ARG A 11 0.051 20.024 1.885 1.00 0.00 O ATOM 178 CB ARG A 11 2.720 18.739 1.600 1.00 0.00 C ATOM 179 CG ARG A 11 2.665 17.921 2.881 1.00 0.00 C ATOM 180 CD ARG A 11 4.054 17.699 3.459 1.00 0.00 C ATOM 181 NE ARG A 11 4.066 17.821 4.915 1.00 0.00 N ATOM 182 CZ ARG A 11 3.984 18.982 5.555 1.00 0.00 C ATOM 183 NH1 ARG A 11 3.883 20.114 4.872 1.00 0.00 N ATOM 184 NH2 ARG A 11 4.001 19.012 6.882 1.00 0.00 N ATOM 0 H ARG A 11 1.403 20.325 -0.396 1.00 0.00 H new ATOM 0 HA ARG A 11 1.455 17.487 0.394 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.624 18.477 1.050 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.798 19.796 1.857 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.042 18.433 3.614 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.195 16.958 2.680 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.411 16.709 3.175 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.746 18.423 3.029 1.00 0.00 H new ATOM 0 HE ARG A 11 4.141 16.969 5.470 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.868 20.095 3.852 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.820 21.004 5.366 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.077 18.143 7.411 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.938 19.904 7.373 1.00 0.00 H new ATOM 198 N ASN A 12 -0.660 17.911 1.584 1.00 0.00 N ATOM 199 CA ASN A 12 -1.923 18.120 2.282 1.00 0.00 C ATOM 200 C ASN A 12 -2.056 17.166 3.465 1.00 0.00 C ATOM 201 O ASN A 12 -2.766 16.164 3.390 1.00 0.00 O ATOM 202 CB ASN A 12 -3.099 17.926 1.322 1.00 0.00 C ATOM 203 CG ASN A 12 -4.393 18.495 1.869 1.00 0.00 C ATOM 204 OD1 ASN A 12 -4.585 18.576 3.083 1.00 0.00 O ATOM 205 ND2 ASN A 12 -5.290 18.893 0.975 1.00 0.00 N ATOM 0 H ASN A 12 -0.528 16.966 1.224 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.935 19.143 2.659 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -2.869 18.404 0.370 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.229 16.862 1.122 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -6.180 19.284 1.285 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.090 18.808 -0.021 1.00 0.00 H new ATOM 212 N GLU A 13 -1.367 17.486 4.557 1.00 0.00 N ATOM 213 CA GLU A 13 -1.408 16.657 5.755 1.00 0.00 C ATOM 214 C GLU A 13 -2.693 16.900 6.541 1.00 0.00 C ATOM 215 O GLU A 13 -3.473 15.977 6.779 1.00 0.00 O ATOM 216 CB GLU A 13 -0.194 16.943 6.641 1.00 0.00 C ATOM 217 CG GLU A 13 0.102 15.839 7.643 1.00 0.00 C ATOM 218 CD GLU A 13 1.483 15.963 8.257 1.00 0.00 C ATOM 219 OE1 GLU A 13 2.460 15.535 7.609 1.00 0.00 O ATOM 220 OE2 GLU A 13 1.585 16.487 9.386 1.00 0.00 O ATOM 0 H GLU A 13 -0.775 18.313 4.636 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.385 15.613 5.444 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.681 17.091 6.008 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.360 17.876 7.180 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.647 15.862 8.435 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.014 14.872 7.149 1.00 0.00 H new ATOM 227 N PHE A 14 -2.908 18.148 6.943 1.00 0.00 N ATOM 228 CA PHE A 14 -4.096 18.514 7.703 1.00 0.00 C ATOM 229 C PHE A 14 -5.298 18.695 6.780 1.00 0.00 C ATOM 230 O PHE A 14 -5.889 19.774 6.717 1.00 0.00 O ATOM 231 CB PHE A 14 -3.847 19.800 8.494 1.00 0.00 C ATOM 232 CG PHE A 14 -2.853 19.635 9.608 1.00 0.00 C ATOM 233 CD1 PHE A 14 -3.233 19.072 10.815 1.00 0.00 C ATOM 234 CD2 PHE A 14 -1.540 20.045 9.447 1.00 0.00 C ATOM 235 CE1 PHE A 14 -2.320 18.919 11.842 1.00 0.00 C ATOM 236 CE2 PHE A 14 -0.622 19.895 10.470 1.00 0.00 C ATOM 237 CZ PHE A 14 -1.013 19.332 11.669 1.00 0.00 C ATOM 0 H PHE A 14 -2.273 18.924 6.754 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.314 17.705 8.400 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.492 20.573 7.813 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.792 20.150 8.910 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.254 18.749 10.956 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.230 20.487 8.512 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.628 18.477 12.778 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.399 20.218 10.332 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.298 19.215 12.470 1.00 0.00 H new ATOM 247 N ASP A 15 -5.653 17.633 6.066 1.00 0.00 N ATOM 248 CA ASP A 15 -6.785 17.674 5.146 1.00 0.00 C ATOM 249 C ASP A 15 -8.095 17.861 5.905 1.00 0.00 C ATOM 250 O ASP A 15 -8.873 18.769 5.608 1.00 0.00 O ATOM 251 CB ASP A 15 -6.841 16.391 4.315 1.00 0.00 C ATOM 252 CG ASP A 15 -6.657 15.146 5.160 1.00 0.00 C ATOM 253 OD1 ASP A 15 -7.672 14.609 5.651 1.00 0.00 O ATOM 254 OD2 ASP A 15 -5.501 14.709 5.331 1.00 0.00 O ATOM 0 H ASP A 15 -5.174 16.733 6.106 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.648 18.524 4.478 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.799 16.338 3.798 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.067 16.424 3.548 1.00 0.00 H new ATOM 259 N HIS A 16 -8.335 16.995 6.884 1.00 0.00 N ATOM 260 CA HIS A 16 -9.552 17.065 7.685 1.00 0.00 C ATOM 261 C HIS A 16 -10.788 17.101 6.793 1.00 0.00 C ATOM 262 O HIS A 16 -11.591 18.033 6.864 1.00 0.00 O ATOM 263 CB HIS A 16 -9.523 18.298 8.589 1.00 0.00 C ATOM 264 CG HIS A 16 -10.439 18.197 9.770 1.00 0.00 C ATOM 265 ND1 HIS A 16 -11.151 19.269 10.264 1.00 0.00 N ATOM 266 CD2 HIS A 16 -10.756 17.142 10.555 1.00 0.00 C ATOM 267 CE1 HIS A 16 -11.866 18.877 11.303 1.00 0.00 C ATOM 268 NE2 HIS A 16 -11.645 17.591 11.501 1.00 0.00 N ATOM 0 H HIS A 16 -7.703 16.237 7.142 1.00 0.00 H new ATOM 0 HA HIS A 16 -9.601 16.171 8.306 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.504 18.455 8.942 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -9.796 19.175 8.002 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.380 16.134 10.456 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.521 19.503 11.891 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -12.066 17.023 12.237 1.00 0.00 H new ATOM 276 N LEU A 17 -10.936 16.083 5.953 1.00 0.00 N ATOM 277 CA LEU A 17 -12.074 15.999 5.044 1.00 0.00 C ATOM 278 C LEU A 17 -12.470 14.546 4.799 1.00 0.00 C ATOM 279 O LEU A 17 -11.618 13.656 4.773 1.00 0.00 O ATOM 280 CB LEU A 17 -11.744 16.681 3.716 1.00 0.00 C ATOM 281 CG LEU A 17 -12.191 18.137 3.579 1.00 0.00 C ATOM 282 CD1 LEU A 17 -11.746 18.709 2.243 1.00 0.00 C ATOM 283 CD2 LEU A 17 -13.701 18.248 3.734 1.00 0.00 C ATOM 0 H LEU A 17 -10.282 15.304 5.882 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.916 16.512 5.508 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.665 16.638 3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.201 16.105 2.911 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.721 18.718 4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.073 19.746 2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.659 18.665 2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -12.186 18.127 1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -14.001 19.291 3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -14.191 17.654 2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -13.994 17.879 4.717 1.00 0.00 H new ATOM 295 N LEU A 18 -13.764 14.313 4.618 1.00 0.00 N ATOM 296 CA LEU A 18 -14.273 12.968 4.371 1.00 0.00 C ATOM 297 C LEU A 18 -13.583 12.338 3.165 1.00 0.00 C ATOM 298 O LEU A 18 -12.813 11.387 3.305 1.00 0.00 O ATOM 299 CB LEU A 18 -15.785 13.006 4.147 1.00 0.00 C ATOM 300 CG LEU A 18 -16.651 12.997 5.407 1.00 0.00 C ATOM 301 CD1 LEU A 18 -16.421 14.260 6.221 1.00 0.00 C ATOM 302 CD2 LEU A 18 -18.121 12.857 5.042 1.00 0.00 C ATOM 0 H LEU A 18 -14.481 15.038 4.637 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.058 12.358 5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -16.025 13.901 3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -16.063 12.149 3.533 1.00 0.00 H new ATOM 0 HG LEU A 18 -16.365 12.139 6.016 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -17.046 14.236 7.114 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -15.372 14.319 6.513 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -16.680 15.132 5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -18.723 12.852 5.951 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -18.421 13.695 4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -18.274 11.923 4.501 1.00 0.00 H new ATOM 314 N ILE A 19 -13.864 12.875 1.983 1.00 0.00 N ATOM 315 CA ILE A 19 -13.268 12.366 0.753 1.00 0.00 C ATOM 316 C ILE A 19 -11.752 12.271 0.876 1.00 0.00 C ATOM 317 O ILE A 19 -11.146 11.287 0.453 1.00 0.00 O ATOM 318 CB ILE A 19 -13.620 13.258 -0.452 1.00 0.00 C ATOM 319 CG1 ILE A 19 -15.108 13.136 -0.788 1.00 0.00 C ATOM 320 CG2 ILE A 19 -12.768 12.882 -1.656 1.00 0.00 C ATOM 321 CD1 ILE A 19 -15.513 11.753 -1.245 1.00 0.00 C ATOM 0 H ILE A 19 -14.500 13.662 1.850 1.00 0.00 H new ATOM 0 HA ILE A 19 -13.679 11.370 0.590 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.409 14.295 -0.191 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -15.694 13.405 0.091 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -15.356 13.855 -1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.028 13.521 -2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.714 13.015 -1.412 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -12.951 11.840 -1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -16.580 11.741 -1.466 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -14.954 11.488 -2.142 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -15.297 11.032 -0.457 1.00 0.00 H new ATOM 333 N GLU A 20 -11.144 13.301 1.457 1.00 0.00 N ATOM 334 CA GLU A 20 -9.697 13.332 1.636 1.00 0.00 C ATOM 335 C GLU A 20 -9.206 12.059 2.320 1.00 0.00 C ATOM 336 O GLU A 20 -8.315 11.377 1.816 1.00 0.00 O ATOM 337 CB GLU A 20 -9.289 14.556 2.458 1.00 0.00 C ATOM 338 CG GLU A 20 -9.096 15.812 1.626 1.00 0.00 C ATOM 339 CD GLU A 20 -7.807 15.790 0.826 1.00 0.00 C ATOM 340 OE1 GLU A 20 -7.112 14.752 0.851 1.00 0.00 O ATOM 341 OE2 GLU A 20 -7.493 16.809 0.177 1.00 0.00 O ATOM 0 H GLU A 20 -11.631 14.124 1.811 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.236 13.395 0.650 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.051 14.745 3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.362 14.335 2.987 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.940 15.926 0.945 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.097 16.682 2.283 1.00 0.00 H new ATOM 348 N GLN A 21 -9.795 11.747 3.470 1.00 0.00 N ATOM 349 CA GLN A 21 -9.417 10.557 4.223 1.00 0.00 C ATOM 350 C GLN A 21 -9.662 9.294 3.405 1.00 0.00 C ATOM 351 O GLN A 21 -8.834 8.383 3.387 1.00 0.00 O ATOM 352 CB GLN A 21 -10.199 10.490 5.536 1.00 0.00 C ATOM 353 CG GLN A 21 -9.427 9.835 6.671 1.00 0.00 C ATOM 354 CD GLN A 21 -8.660 8.607 6.222 1.00 0.00 C ATOM 355 OE1 GLN A 21 -7.580 8.712 5.641 1.00 0.00 O ATOM 356 NE2 GLN A 21 -9.216 7.431 6.492 1.00 0.00 N ATOM 0 H GLN A 21 -10.535 12.301 3.900 1.00 0.00 H new ATOM 0 HA GLN A 21 -8.352 10.621 4.446 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.480 11.500 5.834 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.124 9.938 5.371 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.731 10.558 7.097 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.121 9.556 7.464 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.113 7.390 6.976 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -8.746 6.569 6.216 1.00 0.00 H new ATOM 365 N ALA A 22 -10.806 9.245 2.729 1.00 0.00 N ATOM 366 CA ALA A 22 -11.159 8.095 1.908 1.00 0.00 C ATOM 367 C ALA A 22 -10.133 7.873 0.802 1.00 0.00 C ATOM 368 O ALA A 22 -9.720 6.744 0.542 1.00 0.00 O ATOM 369 CB ALA A 22 -12.548 8.277 1.313 1.00 0.00 C ATOM 0 H ALA A 22 -11.503 9.989 2.735 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.162 7.212 2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.798 7.410 0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.278 8.378 2.116 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.564 9.174 0.694 1.00 0.00 H new ATOM 375 N ASN A 23 -9.725 8.959 0.153 1.00 0.00 N ATOM 376 CA ASN A 23 -8.748 8.883 -0.927 1.00 0.00 C ATOM 377 C ASN A 23 -7.401 8.387 -0.407 1.00 0.00 C ATOM 378 O ASN A 23 -6.735 7.577 -1.053 1.00 0.00 O ATOM 379 CB ASN A 23 -8.578 10.253 -1.588 1.00 0.00 C ATOM 380 CG ASN A 23 -9.427 10.400 -2.836 1.00 0.00 C ATOM 381 OD1 ASN A 23 -9.326 9.600 -3.766 1.00 0.00 O ATOM 382 ND2 ASN A 23 -10.268 11.427 -2.861 1.00 0.00 N ATOM 0 H ASN A 23 -10.056 9.902 0.356 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.117 8.173 -1.668 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.846 11.033 -0.875 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.529 10.402 -1.845 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.864 11.578 -3.675 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.318 12.065 -2.067 1.00 0.00 H new ATOM 389 N HIS A 24 -7.007 8.879 0.764 1.00 0.00 N ATOM 390 CA HIS A 24 -5.740 8.485 1.371 1.00 0.00 C ATOM 391 C HIS A 24 -5.747 7.001 1.726 1.00 0.00 C ATOM 392 O HIS A 24 -4.749 6.304 1.542 1.00 0.00 O ATOM 393 CB HIS A 24 -5.470 9.320 2.623 1.00 0.00 C ATOM 394 CG HIS A 24 -4.031 9.327 3.038 1.00 0.00 C ATOM 395 ND1 HIS A 24 -3.620 9.616 4.322 1.00 0.00 N ATOM 396 CD2 HIS A 24 -2.905 9.076 2.331 1.00 0.00 C ATOM 397 CE1 HIS A 24 -2.302 9.544 4.386 1.00 0.00 C ATOM 398 NE2 HIS A 24 -1.843 9.219 3.191 1.00 0.00 N ATOM 0 H HIS A 24 -7.546 9.550 1.311 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.946 8.663 0.646 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.793 10.345 2.443 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -6.075 8.935 3.444 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -2.851 8.812 1.285 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.702 9.721 5.266 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -0.861 9.094 2.946 1.00 0.00 H new ATOM 406 N ALA A 25 -6.878 6.524 2.237 1.00 0.00 N ATOM 407 CA ALA A 25 -7.013 5.124 2.617 1.00 0.00 C ATOM 408 C ALA A 25 -6.924 4.213 1.398 1.00 0.00 C ATOM 409 O ALA A 25 -6.147 3.258 1.379 1.00 0.00 O ATOM 410 CB ALA A 25 -8.328 4.901 3.349 1.00 0.00 C ATOM 0 H ALA A 25 -7.713 7.087 2.397 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.190 4.874 3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.416 3.851 3.627 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.353 5.518 4.247 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.158 5.175 2.698 1.00 0.00 H new ATOM 416 N ILE A 26 -7.724 4.514 0.380 1.00 0.00 N ATOM 417 CA ILE A 26 -7.734 3.722 -0.844 1.00 0.00 C ATOM 418 C ILE A 26 -6.388 3.794 -1.556 1.00 0.00 C ATOM 419 O ILE A 26 -5.966 2.836 -2.203 1.00 0.00 O ATOM 420 CB ILE A 26 -8.840 4.192 -1.809 1.00 0.00 C ATOM 421 CG1 ILE A 26 -8.583 5.633 -2.250 1.00 0.00 C ATOM 422 CG2 ILE A 26 -10.205 4.067 -1.151 1.00 0.00 C ATOM 423 CD1 ILE A 26 -9.627 6.168 -3.206 1.00 0.00 C ATOM 0 H ILE A 26 -8.373 5.301 0.379 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.932 2.691 -0.552 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.826 3.555 -2.693 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.547 6.273 -1.369 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.604 5.690 -2.725 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.976 4.403 -1.845 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.386 3.026 -0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.233 4.683 -0.252 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.381 7.195 -3.476 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.648 5.551 -4.104 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.606 6.144 -2.727 1.00 0.00 H new ATOM 435 N GLU A 27 -5.719 4.935 -1.431 1.00 0.00 N ATOM 436 CA GLU A 27 -4.420 5.131 -2.063 1.00 0.00 C ATOM 437 C GLU A 27 -3.367 4.224 -1.435 1.00 0.00 C ATOM 438 O GLU A 27 -2.673 3.482 -2.131 1.00 0.00 O ATOM 439 CB GLU A 27 -3.985 6.594 -1.944 1.00 0.00 C ATOM 440 CG GLU A 27 -2.763 6.936 -2.781 1.00 0.00 C ATOM 441 CD GLU A 27 -3.042 6.884 -4.270 1.00 0.00 C ATOM 442 OE1 GLU A 27 -4.013 7.532 -4.714 1.00 0.00 O ATOM 443 OE2 GLU A 27 -2.290 6.195 -4.992 1.00 0.00 O ATOM 0 H GLU A 27 -6.055 5.737 -0.898 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.515 4.872 -3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.813 7.236 -2.245 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.773 6.817 -0.898 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.413 7.934 -2.515 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.958 6.242 -2.542 1.00 0.00 H new ATOM 450 N LYS A 28 -3.252 4.288 -0.113 1.00 0.00 N ATOM 451 CA LYS A 28 -2.285 3.473 0.613 1.00 0.00 C ATOM 452 C LYS A 28 -2.546 1.988 0.386 1.00 0.00 C ATOM 453 O LYS A 28 -1.621 1.215 0.143 1.00 0.00 O ATOM 454 CB LYS A 28 -2.341 3.790 2.109 1.00 0.00 C ATOM 455 CG LYS A 28 -1.495 2.857 2.960 1.00 0.00 C ATOM 456 CD LYS A 28 -1.662 3.150 4.442 1.00 0.00 C ATOM 457 CE LYS A 28 -3.091 2.902 4.902 1.00 0.00 C ATOM 458 NZ LYS A 28 -3.910 4.144 4.860 1.00 0.00 N ATOM 0 H LYS A 28 -3.817 4.897 0.478 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.291 3.710 0.235 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.007 4.816 2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.377 3.736 2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.776 1.823 2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.446 2.961 2.683 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.980 2.524 5.017 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.389 4.186 4.642 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.550 2.143 4.269 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.082 2.507 5.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.878 3.912 4.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.936 4.575 5.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.489 4.815 4.186 1.00 0.00 H new ATOM 472 N GLY A 29 -3.815 1.595 0.467 1.00 0.00 N ATOM 473 CA GLY A 29 -4.175 0.204 0.265 1.00 0.00 C ATOM 474 C GLY A 29 -3.929 -0.259 -1.156 1.00 0.00 C ATOM 475 O GLY A 29 -3.545 -1.405 -1.385 1.00 0.00 O ATOM 0 H GLY A 29 -4.599 2.216 0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.602 -0.419 0.951 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.228 0.065 0.512 1.00 0.00 H new ATOM 479 N GLU A 30 -4.154 0.634 -2.116 1.00 0.00 N ATOM 480 CA GLU A 30 -3.957 0.308 -3.523 1.00 0.00 C ATOM 481 C GLU A 30 -2.475 0.115 -3.834 1.00 0.00 C ATOM 482 O GLU A 30 -2.101 -0.767 -4.607 1.00 0.00 O ATOM 483 CB GLU A 30 -4.535 1.413 -4.411 1.00 0.00 C ATOM 484 CG GLU A 30 -4.437 1.113 -5.897 1.00 0.00 C ATOM 485 CD GLU A 30 -5.508 1.818 -6.707 1.00 0.00 C ATOM 486 OE1 GLU A 30 -5.344 3.024 -6.986 1.00 0.00 O ATOM 487 OE2 GLU A 30 -6.510 1.162 -7.062 1.00 0.00 O ATOM 0 H GLU A 30 -4.473 1.588 -1.944 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.479 -0.626 -3.730 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.581 1.568 -4.149 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.012 2.346 -4.202 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.455 1.414 -6.261 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.518 0.037 -6.053 1.00 0.00 H new ATOM 494 N HIS A 31 -1.635 0.948 -3.227 1.00 0.00 N ATOM 495 CA HIS A 31 -0.194 0.870 -3.439 1.00 0.00 C ATOM 496 C HIS A 31 0.381 -0.393 -2.802 1.00 0.00 C ATOM 497 O HIS A 31 1.059 -1.177 -3.464 1.00 0.00 O ATOM 498 CB HIS A 31 0.495 2.106 -2.861 1.00 0.00 C ATOM 499 CG HIS A 31 1.991 2.030 -2.899 1.00 0.00 C ATOM 500 ND1 HIS A 31 2.781 2.165 -1.778 1.00 0.00 N ATOM 501 CD2 HIS A 31 2.841 1.831 -3.934 1.00 0.00 C ATOM 502 CE1 HIS A 31 4.051 2.054 -2.120 1.00 0.00 C ATOM 503 NE2 HIS A 31 4.115 1.850 -3.424 1.00 0.00 N ATOM 0 H HIS A 31 -1.927 1.684 -2.585 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.011 0.830 -4.513 1.00 0.00 H new ATOM 0 HB2 HIS A 31 0.170 2.986 -3.416 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.172 2.243 -1.829 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.567 1.685 -4.968 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.894 2.119 -1.448 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.972 1.727 -3.964 1.00 0.00 H new ATOM 511 N GLN A 32 0.104 -0.579 -1.516 1.00 0.00 N ATOM 512 CA GLN A 32 0.596 -1.745 -0.791 1.00 0.00 C ATOM 513 C GLN A 32 0.080 -3.035 -1.420 1.00 0.00 C ATOM 514 O GLN A 32 0.788 -4.042 -1.468 1.00 0.00 O ATOM 515 CB GLN A 32 0.171 -1.675 0.677 1.00 0.00 C ATOM 516 CG GLN A 32 -1.334 -1.739 0.879 1.00 0.00 C ATOM 517 CD GLN A 32 -1.853 -3.162 0.948 1.00 0.00 C ATOM 518 OE1 GLN A 32 -2.797 -3.525 0.245 1.00 0.00 O ATOM 519 NE2 GLN A 32 -1.238 -3.977 1.795 1.00 0.00 N ATOM 0 H GLN A 32 -0.458 0.061 -0.955 1.00 0.00 H new ATOM 0 HA GLN A 32 1.685 -1.744 -0.848 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.637 -2.496 1.221 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.548 -0.750 1.112 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.596 -1.216 1.799 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.829 -1.215 0.062 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.460 -3.634 2.358 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.543 -4.946 1.883 1.00 0.00 H new ATOM 528 N LEU A 33 -1.158 -2.999 -1.902 1.00 0.00 N ATOM 529 CA LEU A 33 -1.770 -4.165 -2.529 1.00 0.00 C ATOM 530 C LEU A 33 -1.075 -4.504 -3.843 1.00 0.00 C ATOM 531 O LEU A 33 -0.661 -5.642 -4.065 1.00 0.00 O ATOM 532 CB LEU A 33 -3.258 -3.914 -2.775 1.00 0.00 C ATOM 533 CG LEU A 33 -4.010 -5.018 -3.519 1.00 0.00 C ATOM 534 CD1 LEU A 33 -3.886 -4.828 -5.023 1.00 0.00 C ATOM 535 CD2 LEU A 33 -3.491 -6.388 -3.108 1.00 0.00 C ATOM 0 H LEU A 33 -1.758 -2.174 -1.870 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.658 -5.012 -1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.744 -3.756 -1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.361 -2.987 -3.340 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.065 -4.956 -3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.427 -5.623 -5.536 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.307 -3.863 -5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.835 -4.862 -5.309 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.038 -7.161 -3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.430 -6.461 -3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.633 -6.524 -2.036 1.00 0.00 H new ATOM 547 N LEU A 34 -0.947 -3.506 -4.712 1.00 0.00 N ATOM 548 CA LEU A 34 -0.300 -3.698 -6.006 1.00 0.00 C ATOM 549 C LEU A 34 1.097 -4.288 -5.835 1.00 0.00 C ATOM 550 O LEU A 34 1.483 -5.212 -6.551 1.00 0.00 O ATOM 551 CB LEU A 34 -0.216 -2.368 -6.757 1.00 0.00 C ATOM 552 CG LEU A 34 -1.498 -1.904 -7.449 1.00 0.00 C ATOM 553 CD1 LEU A 34 -1.320 -0.508 -8.024 1.00 0.00 C ATOM 554 CD2 LEU A 34 -1.899 -2.886 -8.542 1.00 0.00 C ATOM 0 H LEU A 34 -1.282 -2.557 -4.544 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.901 -4.399 -6.585 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.093 -1.595 -6.053 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.570 -2.447 -7.508 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.296 -1.869 -6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.243 -0.195 -8.512 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.081 0.189 -7.221 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.509 -0.515 -8.752 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.813 -2.540 -9.024 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.101 -2.952 -9.282 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.070 -3.869 -8.103 1.00 0.00 H new ATOM 566 N TYR A 35 1.847 -3.750 -4.880 1.00 0.00 N ATOM 567 CA TYR A 35 3.200 -4.222 -4.615 1.00 0.00 C ATOM 568 C TYR A 35 3.177 -5.573 -3.906 1.00 0.00 C ATOM 569 O TYR A 35 4.073 -6.398 -4.086 1.00 0.00 O ATOM 570 CB TYR A 35 3.962 -3.202 -3.766 1.00 0.00 C ATOM 571 CG TYR A 35 5.297 -3.707 -3.267 1.00 0.00 C ATOM 572 CD1 TYR A 35 6.401 -3.757 -4.110 1.00 0.00 C ATOM 573 CD2 TYR A 35 5.455 -4.134 -1.955 1.00 0.00 C ATOM 574 CE1 TYR A 35 7.623 -4.217 -3.659 1.00 0.00 C ATOM 575 CE2 TYR A 35 6.674 -4.593 -1.495 1.00 0.00 C ATOM 576 CZ TYR A 35 7.755 -4.634 -2.351 1.00 0.00 C ATOM 577 OH TYR A 35 8.970 -5.094 -1.897 1.00 0.00 O ATOM 0 H TYR A 35 1.541 -2.987 -4.277 1.00 0.00 H new ATOM 0 HA TYR A 35 3.709 -4.342 -5.571 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.122 -2.299 -4.355 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.347 -2.921 -2.911 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.302 -3.431 -5.135 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.610 -4.107 -1.283 1.00 0.00 H new ATOM 0 HE1 TYR A 35 8.471 -4.250 -4.327 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.780 -4.918 -0.471 1.00 0.00 H new ATOM 0 HH TYR A 35 8.892 -5.347 -0.953 1.00 0.00 H new ATOM 587 N LEU A 36 2.143 -5.792 -3.100 1.00 0.00 N ATOM 588 CA LEU A 36 2.000 -7.043 -2.363 1.00 0.00 C ATOM 589 C LEU A 36 1.708 -8.203 -3.310 1.00 0.00 C ATOM 590 O LEU A 36 2.081 -9.343 -3.043 1.00 0.00 O ATOM 591 CB LEU A 36 0.881 -6.922 -1.327 1.00 0.00 C ATOM 592 CG LEU A 36 0.565 -8.188 -0.529 1.00 0.00 C ATOM 593 CD1 LEU A 36 1.830 -8.756 0.093 1.00 0.00 C ATOM 594 CD2 LEU A 36 -0.475 -7.897 0.542 1.00 0.00 C ATOM 0 H LEU A 36 1.392 -5.120 -2.941 1.00 0.00 H new ATOM 0 HA LEU A 36 2.941 -7.244 -1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.147 -6.131 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.027 -6.603 -1.838 1.00 0.00 H new ATOM 0 HG LEU A 36 0.155 -8.932 -1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.586 -9.656 0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.543 -9.003 -0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.270 -8.017 0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.688 -8.809 1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.093 -7.136 1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.390 -7.537 0.072 1.00 0.00 H new ATOM 606 N GLN A 37 1.038 -7.901 -4.419 1.00 0.00 N ATOM 607 CA GLN A 37 0.698 -8.917 -5.406 1.00 0.00 C ATOM 608 C GLN A 37 1.931 -9.719 -5.809 1.00 0.00 C ATOM 609 O GLN A 37 1.868 -10.939 -5.965 1.00 0.00 O ATOM 610 CB GLN A 37 0.071 -8.269 -6.642 1.00 0.00 C ATOM 611 CG GLN A 37 -1.189 -8.971 -7.123 1.00 0.00 C ATOM 612 CD GLN A 37 -2.225 -9.127 -6.027 1.00 0.00 C ATOM 613 OE1 GLN A 37 -2.345 -10.190 -5.417 1.00 0.00 O ATOM 614 NE2 GLN A 37 -2.981 -8.065 -5.772 1.00 0.00 N ATOM 0 H GLN A 37 0.721 -6.961 -4.655 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.024 -9.597 -4.955 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.166 -7.229 -6.416 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.803 -8.261 -7.449 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.622 -8.407 -7.949 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.926 -9.955 -7.512 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.847 -7.204 -6.302 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.696 -8.110 -5.046 1.00 0.00 H new ATOM 623 N HIS A 38 3.053 -9.026 -5.978 1.00 0.00 N ATOM 624 CA HIS A 38 4.302 -9.674 -6.362 1.00 0.00 C ATOM 625 C HIS A 38 4.703 -10.732 -5.338 1.00 0.00 C ATOM 626 O HIS A 38 4.926 -11.891 -5.686 1.00 0.00 O ATOM 627 CB HIS A 38 5.416 -8.637 -6.505 1.00 0.00 C ATOM 628 CG HIS A 38 6.417 -8.977 -7.567 1.00 0.00 C ATOM 629 ND1 HIS A 38 6.209 -8.724 -8.906 1.00 0.00 N ATOM 630 CD2 HIS A 38 7.640 -9.550 -7.480 1.00 0.00 C ATOM 631 CE1 HIS A 38 7.259 -9.129 -9.597 1.00 0.00 C ATOM 632 NE2 HIS A 38 8.143 -9.633 -8.754 1.00 0.00 N ATOM 0 H HIS A 38 3.123 -8.016 -5.855 1.00 0.00 H new ATOM 0 HA HIS A 38 4.147 -10.165 -7.323 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.972 -7.668 -6.732 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.932 -8.535 -5.550 1.00 0.00 H new ATOM 0 HD2 HIS A 38 8.129 -9.881 -6.576 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.375 -9.060 -10.668 1.00 0.00 H new ATOM 0 HE2 HIS A 38 9.051 -10.021 -9.009 1.00 0.00 H new ATOM 640 N GLN A 39 4.794 -10.323 -4.077 1.00 0.00 N ATOM 641 CA GLN A 39 5.171 -11.235 -3.004 1.00 0.00 C ATOM 642 C GLN A 39 4.247 -12.449 -2.973 1.00 0.00 C ATOM 643 O GLN A 39 4.695 -13.578 -2.766 1.00 0.00 O ATOM 644 CB GLN A 39 5.129 -10.515 -1.655 1.00 0.00 C ATOM 645 CG GLN A 39 6.162 -9.406 -1.526 1.00 0.00 C ATOM 646 CD GLN A 39 7.522 -9.921 -1.100 1.00 0.00 C ATOM 647 OE1 GLN A 39 8.272 -10.469 -1.909 1.00 0.00 O ATOM 648 NE2 GLN A 39 7.848 -9.748 0.175 1.00 0.00 N ATOM 0 H GLN A 39 4.612 -9.366 -3.773 1.00 0.00 H new ATOM 0 HA GLN A 39 6.188 -11.578 -3.194 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.135 -10.093 -1.508 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.287 -11.242 -0.859 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.256 -8.890 -2.481 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.812 -8.672 -0.800 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.196 -9.289 0.810 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.751 -10.074 0.519 1.00 0.00 H new ATOM 657 N LEU A 40 2.957 -12.210 -3.179 1.00 0.00 N ATOM 658 CA LEU A 40 1.970 -13.285 -3.175 1.00 0.00 C ATOM 659 C LEU A 40 2.273 -14.307 -4.265 1.00 0.00 C ATOM 660 O LEU A 40 2.334 -15.509 -4.004 1.00 0.00 O ATOM 661 CB LEU A 40 0.565 -12.713 -3.372 1.00 0.00 C ATOM 662 CG LEU A 40 -0.577 -13.731 -3.390 1.00 0.00 C ATOM 663 CD1 LEU A 40 -0.731 -14.335 -4.778 1.00 0.00 C ATOM 664 CD2 LEU A 40 -0.337 -14.820 -2.356 1.00 0.00 C ATOM 0 H LEU A 40 2.570 -11.282 -3.351 1.00 0.00 H new ATOM 0 HA LEU A 40 2.020 -13.787 -2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.372 -11.994 -2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.548 -12.160 -4.311 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.503 -13.215 -3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.548 -15.057 -4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.950 -13.545 -5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.194 -14.837 -5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.159 -15.535 -2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.598 -15.334 -2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.278 -14.373 -1.364 1.00 0.00 H new ATOM 676 N ASP A 41 2.465 -13.822 -5.487 1.00 0.00 N ATOM 677 CA ASP A 41 2.766 -14.694 -6.617 1.00 0.00 C ATOM 678 C ASP A 41 4.009 -15.532 -6.340 1.00 0.00 C ATOM 679 O ASP A 41 4.035 -16.731 -6.619 1.00 0.00 O ATOM 680 CB ASP A 41 2.966 -13.866 -7.887 1.00 0.00 C ATOM 681 CG ASP A 41 2.736 -14.676 -9.149 1.00 0.00 C ATOM 682 OD1 ASP A 41 1.572 -14.767 -9.592 1.00 0.00 O ATOM 683 OD2 ASP A 41 3.721 -15.221 -9.691 1.00 0.00 O ATOM 0 H ASP A 41 2.418 -12.830 -5.720 1.00 0.00 H new ATOM 0 HA ASP A 41 1.921 -15.367 -6.761 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.283 -13.016 -7.875 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.978 -13.461 -7.898 1.00 0.00 H new ATOM 688 N GLU A 42 5.038 -14.894 -5.792 1.00 0.00 N ATOM 689 CA GLU A 42 6.285 -15.582 -5.481 1.00 0.00 C ATOM 690 C GLU A 42 6.090 -16.568 -4.333 1.00 0.00 C ATOM 691 O GLU A 42 6.708 -17.633 -4.302 1.00 0.00 O ATOM 692 CB GLU A 42 7.375 -14.571 -5.119 1.00 0.00 C ATOM 693 CG GLU A 42 8.588 -15.196 -4.452 1.00 0.00 C ATOM 694 CD GLU A 42 9.212 -16.297 -5.288 1.00 0.00 C ATOM 695 OE1 GLU A 42 8.880 -16.389 -6.488 1.00 0.00 O ATOM 696 OE2 GLU A 42 10.031 -17.065 -4.743 1.00 0.00 O ATOM 0 H GLU A 42 5.033 -13.902 -5.554 1.00 0.00 H new ATOM 0 HA GLU A 42 6.594 -16.137 -6.366 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.695 -14.054 -6.024 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.953 -13.817 -4.454 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.332 -14.423 -4.263 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.296 -15.602 -3.483 1.00 0.00 H new ATOM 703 N LEU A 43 5.228 -16.205 -3.389 1.00 0.00 N ATOM 704 CA LEU A 43 4.951 -17.056 -2.238 1.00 0.00 C ATOM 705 C LEU A 43 4.162 -18.294 -2.652 1.00 0.00 C ATOM 706 O LEU A 43 4.291 -19.357 -2.046 1.00 0.00 O ATOM 707 CB LEU A 43 4.175 -16.275 -1.176 1.00 0.00 C ATOM 708 CG LEU A 43 3.380 -17.113 -0.173 1.00 0.00 C ATOM 709 CD1 LEU A 43 3.354 -16.435 1.187 1.00 0.00 C ATOM 710 CD2 LEU A 43 1.964 -17.349 -0.680 1.00 0.00 C ATOM 0 H LEU A 43 4.709 -15.327 -3.399 1.00 0.00 H new ATOM 0 HA LEU A 43 5.904 -17.379 -1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.880 -15.655 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.485 -15.600 -1.682 1.00 0.00 H new ATOM 0 HG LEU A 43 3.872 -18.079 -0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.784 -17.046 1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.373 -16.317 1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.886 -15.455 1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.413 -17.947 0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.462 -16.391 -0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.002 -17.878 -1.632 1.00 0.00 H new ATOM 722 N ASN A 44 3.346 -18.149 -3.691 1.00 0.00 N ATOM 723 CA ASN A 44 2.537 -19.255 -4.190 1.00 0.00 C ATOM 724 C ASN A 44 3.405 -20.477 -4.479 1.00 0.00 C ATOM 725 O ASN A 44 3.068 -21.595 -4.092 1.00 0.00 O ATOM 726 CB ASN A 44 1.787 -18.837 -5.455 1.00 0.00 C ATOM 727 CG ASN A 44 0.645 -17.883 -5.162 1.00 0.00 C ATOM 728 OD1 ASN A 44 0.397 -17.531 -4.009 1.00 0.00 O ATOM 729 ND2 ASN A 44 -0.056 -17.460 -6.208 1.00 0.00 N ATOM 0 H ASN A 44 3.227 -17.275 -4.204 1.00 0.00 H new ATOM 0 HA ASN A 44 1.814 -19.519 -3.419 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.483 -18.364 -6.147 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.397 -19.725 -5.953 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.836 -16.817 -6.073 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.186 -17.778 -7.146 1.00 0.00 H new ATOM 736 N GLU A 45 4.523 -20.252 -5.163 1.00 0.00 N ATOM 737 CA GLU A 45 5.439 -21.335 -5.504 1.00 0.00 C ATOM 738 C GLU A 45 6.490 -21.523 -4.414 1.00 0.00 C ATOM 739 O GLU A 45 6.750 -22.642 -3.974 1.00 0.00 O ATOM 740 CB GLU A 45 6.122 -21.051 -6.843 1.00 0.00 C ATOM 741 CG GLU A 45 5.305 -21.488 -8.048 1.00 0.00 C ATOM 742 CD GLU A 45 5.269 -22.994 -8.213 1.00 0.00 C ATOM 743 OE1 GLU A 45 6.270 -23.563 -8.693 1.00 0.00 O ATOM 744 OE2 GLU A 45 4.237 -23.604 -7.861 1.00 0.00 O ATOM 0 H GLU A 45 4.816 -19.332 -5.491 1.00 0.00 H new ATOM 0 HA GLU A 45 4.859 -22.254 -5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.323 -19.982 -6.919 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.086 -21.559 -6.865 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.287 -21.113 -7.947 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.723 -21.038 -8.948 1.00 0.00 H new ATOM 751 N ASN A 46 7.090 -20.418 -3.983 1.00 0.00 N ATOM 752 CA ASN A 46 8.115 -20.460 -2.946 1.00 0.00 C ATOM 753 C ASN A 46 7.612 -21.209 -1.716 1.00 0.00 C ATOM 754 O ASN A 46 8.368 -21.928 -1.061 1.00 0.00 O ATOM 755 CB ASN A 46 8.535 -19.042 -2.557 1.00 0.00 C ATOM 756 CG ASN A 46 9.807 -19.021 -1.732 1.00 0.00 C ATOM 757 OD1 ASN A 46 10.476 -20.043 -1.575 1.00 0.00 O ATOM 758 ND2 ASN A 46 10.147 -17.853 -1.197 1.00 0.00 N ATOM 0 H ASN A 46 6.884 -19.483 -4.335 1.00 0.00 H new ATOM 0 HA ASN A 46 8.979 -20.991 -3.345 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.681 -18.449 -3.460 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.731 -18.570 -1.992 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.992 -17.778 -0.630 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.563 -17.031 -1.353 1.00 0.00 H new ATOM 765 N LYS A 47 6.332 -21.037 -1.407 1.00 0.00 N ATOM 766 CA LYS A 47 5.726 -21.698 -0.257 1.00 0.00 C ATOM 767 C LYS A 47 6.570 -21.491 0.997 1.00 0.00 C ATOM 768 O LYS A 47 6.707 -22.395 1.820 1.00 0.00 O ATOM 769 CB LYS A 47 5.559 -23.194 -0.532 1.00 0.00 C ATOM 770 CG LYS A 47 4.727 -23.497 -1.766 1.00 0.00 C ATOM 771 CD LYS A 47 3.248 -23.589 -1.432 1.00 0.00 C ATOM 772 CE LYS A 47 2.519 -24.525 -2.385 1.00 0.00 C ATOM 773 NZ LYS A 47 2.948 -25.939 -2.208 1.00 0.00 N ATOM 0 H LYS A 47 5.693 -20.445 -1.937 1.00 0.00 H new ATOM 0 HA LYS A 47 4.745 -21.254 -0.090 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.544 -23.645 -0.649 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.093 -23.664 0.334 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.885 -22.718 -2.512 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.060 -24.436 -2.209 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.126 -23.943 -0.408 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.800 -22.596 -1.481 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.444 -24.448 -2.219 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.706 -24.215 -3.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.195 -26.574 -2.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.815 -26.110 -2.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.134 -26.122 -1.201 1.00 0.00 H new ATOM 787 N SER A 48 7.132 -20.295 1.135 1.00 0.00 N ATOM 788 CA SER A 48 7.966 -19.971 2.288 1.00 0.00 C ATOM 789 C SER A 48 7.110 -19.744 3.530 1.00 0.00 C ATOM 790 O SER A 48 6.228 -18.885 3.543 1.00 0.00 O ATOM 791 CB SER A 48 8.808 -18.726 2.001 1.00 0.00 C ATOM 792 OG SER A 48 9.173 -18.069 3.202 1.00 0.00 O ATOM 0 H SER A 48 7.026 -19.534 0.464 1.00 0.00 H new ATOM 0 HA SER A 48 8.630 -20.815 2.474 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.705 -19.009 1.451 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.246 -18.042 1.365 1.00 0.00 H new ATOM 0 HG SER A 48 9.947 -17.491 3.037 1.00 0.00 H new ATOM 798 N LYS A 49 7.376 -20.521 4.574 1.00 0.00 N ATOM 799 CA LYS A 49 6.632 -20.407 5.823 1.00 0.00 C ATOM 800 C LYS A 49 6.750 -18.999 6.398 1.00 0.00 C ATOM 801 O LYS A 49 5.750 -18.390 6.778 1.00 0.00 O ATOM 802 CB LYS A 49 7.144 -21.430 6.840 1.00 0.00 C ATOM 803 CG LYS A 49 8.651 -21.403 7.024 1.00 0.00 C ATOM 804 CD LYS A 49 9.223 -22.806 7.142 1.00 0.00 C ATOM 805 CE LYS A 49 10.462 -22.977 6.276 1.00 0.00 C ATOM 806 NZ LYS A 49 10.606 -24.375 5.783 1.00 0.00 N ATOM 0 H LYS A 49 8.102 -21.237 4.580 1.00 0.00 H new ATOM 0 HA LYS A 49 5.582 -20.608 5.612 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.666 -21.244 7.802 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.843 -22.428 6.522 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.113 -20.891 6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.899 -20.831 7.918 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.474 -23.012 8.183 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.468 -23.534 6.846 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.408 -22.296 5.426 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.347 -22.701 6.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.462 -24.450 5.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.683 -25.023 6.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.774 -24.630 5.214 1.00 0.00 H new ATOM 820 N GLU A 50 7.976 -18.490 6.459 1.00 0.00 N ATOM 821 CA GLU A 50 8.221 -17.152 6.987 1.00 0.00 C ATOM 822 C GLU A 50 7.565 -16.091 6.110 1.00 0.00 C ATOM 823 O GLU A 50 6.937 -15.157 6.610 1.00 0.00 O ATOM 824 CB GLU A 50 9.725 -16.888 7.088 1.00 0.00 C ATOM 825 CG GLU A 50 10.472 -17.121 5.786 1.00 0.00 C ATOM 826 CD GLU A 50 11.972 -16.955 5.935 1.00 0.00 C ATOM 827 OE1 GLU A 50 12.447 -15.800 5.904 1.00 0.00 O ATOM 828 OE2 GLU A 50 12.671 -17.979 6.085 1.00 0.00 O ATOM 0 H GLU A 50 8.814 -18.982 6.150 1.00 0.00 H new ATOM 0 HA GLU A 50 7.781 -17.096 7.983 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.884 -15.859 7.409 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.147 -17.532 7.860 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.256 -18.126 5.423 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.106 -16.424 5.032 1.00 0.00 H new ATOM 835 N LEU A 51 7.715 -16.241 4.798 1.00 0.00 N ATOM 836 CA LEU A 51 7.136 -15.296 3.849 1.00 0.00 C ATOM 837 C LEU A 51 5.626 -15.195 4.031 1.00 0.00 C ATOM 838 O LEU A 51 5.051 -14.111 3.938 1.00 0.00 O ATOM 839 CB LEU A 51 7.462 -15.719 2.415 1.00 0.00 C ATOM 840 CG LEU A 51 7.061 -14.733 1.317 1.00 0.00 C ATOM 841 CD1 LEU A 51 7.584 -13.341 1.633 1.00 0.00 C ATOM 842 CD2 LEU A 51 7.575 -15.204 -0.035 1.00 0.00 C ATOM 0 H LEU A 51 8.232 -17.007 4.368 1.00 0.00 H new ATOM 0 HA LEU A 51 7.571 -14.315 4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.536 -15.894 2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.970 -16.671 2.218 1.00 0.00 H new ATOM 0 HG LEU A 51 5.973 -14.688 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.289 -12.653 0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.167 -13.002 2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.671 -13.368 1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.281 -14.491 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.662 -15.278 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.151 -16.181 -0.265 1.00 0.00 H new ATOM 854 N GLN A 52 4.990 -16.332 4.294 1.00 0.00 N ATOM 855 CA GLN A 52 3.546 -16.371 4.491 1.00 0.00 C ATOM 856 C GLN A 52 3.157 -15.697 5.802 1.00 0.00 C ATOM 857 O GLN A 52 2.351 -14.768 5.817 1.00 0.00 O ATOM 858 CB GLN A 52 3.047 -17.818 4.480 1.00 0.00 C ATOM 859 CG GLN A 52 1.536 -17.941 4.582 1.00 0.00 C ATOM 860 CD GLN A 52 1.099 -19.228 5.254 1.00 0.00 C ATOM 861 OE1 GLN A 52 0.697 -20.184 4.590 1.00 0.00 O ATOM 862 NE2 GLN A 52 1.176 -19.259 6.580 1.00 0.00 N ATOM 0 H GLN A 52 5.452 -17.238 4.376 1.00 0.00 H new ATOM 0 HA GLN A 52 3.078 -15.826 3.671 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.381 -18.302 3.562 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.504 -18.357 5.310 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.143 -17.092 5.141 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.103 -17.892 3.583 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.515 -18.444 7.090 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.896 -20.098 7.088 1.00 0.00 H new ATOM 871 N GLU A 53 3.735 -16.172 6.901 1.00 0.00 N ATOM 872 CA GLU A 53 3.447 -15.615 8.216 1.00 0.00 C ATOM 873 C GLU A 53 3.649 -14.101 8.223 1.00 0.00 C ATOM 874 O GLU A 53 2.956 -13.374 8.935 1.00 0.00 O ATOM 875 CB GLU A 53 4.340 -16.263 9.276 1.00 0.00 C ATOM 876 CG GLU A 53 3.814 -17.597 9.781 1.00 0.00 C ATOM 877 CD GLU A 53 2.688 -17.438 10.784 1.00 0.00 C ATOM 878 OE1 GLU A 53 1.556 -17.121 10.361 1.00 0.00 O ATOM 879 OE2 GLU A 53 2.939 -17.632 11.992 1.00 0.00 O ATOM 0 H GLU A 53 4.405 -16.941 6.906 1.00 0.00 H new ATOM 0 HA GLU A 53 2.404 -15.827 8.450 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.337 -16.409 8.860 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.443 -15.580 10.119 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.462 -18.188 8.936 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.630 -18.154 10.242 1.00 0.00 H new ATOM 886 N LYS A 54 4.604 -13.635 7.425 1.00 0.00 N ATOM 887 CA LYS A 54 4.898 -12.210 7.336 1.00 0.00 C ATOM 888 C LYS A 54 3.833 -11.484 6.519 1.00 0.00 C ATOM 889 O LYS A 54 3.266 -10.487 6.967 1.00 0.00 O ATOM 890 CB LYS A 54 6.275 -11.991 6.707 1.00 0.00 C ATOM 891 CG LYS A 54 7.428 -12.396 7.609 1.00 0.00 C ATOM 892 CD LYS A 54 7.864 -11.248 8.506 1.00 0.00 C ATOM 893 CE LYS A 54 7.344 -11.421 9.925 1.00 0.00 C ATOM 894 NZ LYS A 54 8.168 -12.385 10.704 1.00 0.00 N ATOM 0 H LYS A 54 5.187 -14.224 6.831 1.00 0.00 H new ATOM 0 HA LYS A 54 4.897 -11.801 8.346 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.335 -12.558 5.778 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.382 -10.938 6.445 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.130 -13.246 8.223 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.270 -12.723 7.000 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.952 -11.190 8.521 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.500 -10.306 8.096 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.340 -10.455 10.431 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.311 -11.769 9.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.781 -12.475 11.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.151 -13.313 10.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.148 -12.041 10.756 1.00 0.00 H new ATOM 908 N ILE A 55 3.565 -11.991 5.320 1.00 0.00 N ATOM 909 CA ILE A 55 2.567 -11.392 4.443 1.00 0.00 C ATOM 910 C ILE A 55 1.193 -11.377 5.105 1.00 0.00 C ATOM 911 O ILE A 55 0.545 -10.333 5.189 1.00 0.00 O ATOM 912 CB ILE A 55 2.471 -12.144 3.104 1.00 0.00 C ATOM 913 CG1 ILE A 55 3.777 -12.003 2.319 1.00 0.00 C ATOM 914 CG2 ILE A 55 1.298 -11.624 2.287 1.00 0.00 C ATOM 915 CD1 ILE A 55 3.961 -13.063 1.255 1.00 0.00 C ATOM 0 H ILE A 55 4.025 -12.815 4.934 1.00 0.00 H new ATOM 0 HA ILE A 55 2.887 -10.368 4.252 1.00 0.00 H new ATOM 0 HB ILE A 55 2.305 -13.201 3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.805 -11.020 1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.616 -12.048 3.014 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.244 -12.166 1.343 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.373 -11.772 2.844 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.436 -10.561 2.088 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.907 -12.900 0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.966 -14.049 1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.142 -13.005 0.538 1.00 0.00 H new ATOM 927 N ILE A 56 0.756 -12.540 5.575 1.00 0.00 N ATOM 928 CA ILE A 56 -0.540 -12.659 6.232 1.00 0.00 C ATOM 929 C ILE A 56 -0.665 -11.669 7.385 1.00 0.00 C ATOM 930 O ILE A 56 -1.743 -11.133 7.642 1.00 0.00 O ATOM 931 CB ILE A 56 -0.771 -14.085 6.768 1.00 0.00 C ATOM 932 CG1 ILE A 56 -2.176 -14.210 7.359 1.00 0.00 C ATOM 933 CG2 ILE A 56 0.281 -14.436 7.810 1.00 0.00 C ATOM 934 CD1 ILE A 56 -3.278 -13.944 6.357 1.00 0.00 C ATOM 0 H ILE A 56 1.280 -13.413 5.513 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.296 -12.435 5.480 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.682 -14.787 5.939 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.302 -15.213 7.768 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.275 -13.512 8.190 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.105 -15.446 8.179 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.272 -14.382 7.359 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.221 -13.731 8.639 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.247 -14.050 6.845 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.178 -12.931 5.966 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.204 -14.658 5.537 1.00 0.00 H new ATOM 946 N ARG A 57 0.445 -11.429 8.076 1.00 0.00 N ATOM 947 CA ARG A 57 0.461 -10.503 9.201 1.00 0.00 C ATOM 948 C ARG A 57 0.234 -9.069 8.728 1.00 0.00 C ATOM 949 O ARG A 57 -0.658 -8.378 9.219 1.00 0.00 O ATOM 950 CB ARG A 57 1.790 -10.600 9.951 1.00 0.00 C ATOM 951 CG ARG A 57 1.678 -11.286 11.303 1.00 0.00 C ATOM 952 CD ARG A 57 1.122 -12.694 11.168 1.00 0.00 C ATOM 953 NE ARG A 57 1.972 -13.683 11.826 1.00 0.00 N ATOM 954 CZ ARG A 57 1.996 -13.873 13.141 1.00 0.00 C ATOM 955 NH1 ARG A 57 1.221 -13.145 13.933 1.00 0.00 N ATOM 956 NH2 ARG A 57 2.796 -14.793 13.666 1.00 0.00 N ATOM 0 H ARG A 57 1.346 -11.864 7.876 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.349 -10.777 9.876 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.506 -11.144 9.335 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.191 -9.596 10.094 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.660 -11.325 11.775 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.033 -10.700 11.957 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.122 -12.732 11.599 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.024 -12.945 10.112 1.00 0.00 H new ATOM 0 HE ARG A 57 2.580 -14.259 11.244 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.605 -12.437 13.533 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.241 -13.293 14.942 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.393 -15.355 13.060 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.813 -14.938 14.676 1.00 0.00 H new ATOM 970 N GLU A 58 1.048 -8.631 7.773 1.00 0.00 N ATOM 971 CA GLU A 58 0.937 -7.280 7.237 1.00 0.00 C ATOM 972 C GLU A 58 -0.421 -7.069 6.573 1.00 0.00 C ATOM 973 O GLU A 58 -1.057 -6.029 6.752 1.00 0.00 O ATOM 974 CB GLU A 58 2.056 -7.015 6.228 1.00 0.00 C ATOM 975 CG GLU A 58 2.558 -5.580 6.238 1.00 0.00 C ATOM 976 CD GLU A 58 3.051 -5.124 4.879 1.00 0.00 C ATOM 977 OE1 GLU A 58 2.308 -5.298 3.889 1.00 0.00 O ATOM 978 OE2 GLU A 58 4.179 -4.594 4.804 1.00 0.00 O ATOM 0 H GLU A 58 1.791 -9.191 7.355 1.00 0.00 H new ATOM 0 HA GLU A 58 1.031 -6.578 8.066 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.890 -7.684 6.439 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.697 -7.259 5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.755 -4.921 6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.366 -5.487 6.963 1.00 0.00 H new ATOM 985 N LEU A 59 -0.860 -8.061 5.806 1.00 0.00 N ATOM 986 CA LEU A 59 -2.142 -7.985 5.115 1.00 0.00 C ATOM 987 C LEU A 59 -3.296 -7.956 6.111 1.00 0.00 C ATOM 988 O LEU A 59 -4.302 -7.280 5.892 1.00 0.00 O ATOM 989 CB LEU A 59 -2.302 -9.172 4.165 1.00 0.00 C ATOM 990 CG LEU A 59 -3.185 -8.936 2.938 1.00 0.00 C ATOM 991 CD1 LEU A 59 -3.130 -10.133 2.002 1.00 0.00 C ATOM 992 CD2 LEU A 59 -4.619 -8.652 3.360 1.00 0.00 C ATOM 0 H LEU A 59 -0.346 -8.928 5.647 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.162 -7.061 4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.312 -9.474 3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.714 -10.010 4.728 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.805 -8.065 2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.764 -9.947 1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.103 -10.291 1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.483 -11.021 2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.233 -8.487 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.009 -9.503 3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.644 -7.763 3.990 1.00 0.00 H new ATOM 1004 N ASP A 60 -3.145 -8.693 7.206 1.00 0.00 N ATOM 1005 CA ASP A 60 -4.173 -8.750 8.238 1.00 0.00 C ATOM 1006 C ASP A 60 -4.357 -7.386 8.898 1.00 0.00 C ATOM 1007 O ASP A 60 -5.467 -6.856 8.952 1.00 0.00 O ATOM 1008 CB ASP A 60 -3.810 -9.796 9.294 1.00 0.00 C ATOM 1009 CG ASP A 60 -4.812 -9.845 10.429 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -6.027 -9.761 10.153 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -4.382 -9.964 11.596 1.00 0.00 O ATOM 0 H ASP A 60 -2.320 -9.260 7.402 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.112 -9.035 7.764 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.750 -10.777 8.823 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.821 -9.574 9.696 1.00 0.00 H new ATOM 1016 N VAL A 61 -3.263 -6.824 9.399 1.00 0.00 N ATOM 1017 CA VAL A 61 -3.302 -5.523 10.056 1.00 0.00 C ATOM 1018 C VAL A 61 -3.775 -4.438 9.094 1.00 0.00 C ATOM 1019 O VAL A 61 -4.534 -3.546 9.473 1.00 0.00 O ATOM 1020 CB VAL A 61 -1.921 -5.133 10.614 1.00 0.00 C ATOM 1021 CG1 VAL A 61 -1.527 -6.057 11.757 1.00 0.00 C ATOM 1022 CG2 VAL A 61 -0.873 -5.160 9.512 1.00 0.00 C ATOM 0 H VAL A 61 -2.337 -7.250 9.363 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.008 -5.606 10.883 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.980 -4.116 11.003 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.548 -5.766 12.139 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.265 -5.983 12.556 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.485 -7.085 11.396 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.097 -4.882 9.925 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.813 -6.164 9.091 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.150 -4.454 8.729 1.00 0.00 H new ATOM 1032 N VAL A 62 -3.319 -4.519 7.849 1.00 0.00 N ATOM 1033 CA VAL A 62 -3.696 -3.544 6.831 1.00 0.00 C ATOM 1034 C VAL A 62 -5.175 -3.659 6.482 1.00 0.00 C ATOM 1035 O VAL A 62 -5.926 -2.690 6.592 1.00 0.00 O ATOM 1036 CB VAL A 62 -2.861 -3.721 5.548 1.00 0.00 C ATOM 1037 CG1 VAL A 62 -3.444 -2.892 4.415 1.00 0.00 C ATOM 1038 CG2 VAL A 62 -1.409 -3.346 5.803 1.00 0.00 C ATOM 0 H VAL A 62 -2.688 -5.250 7.520 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.500 -2.557 7.249 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.895 -4.770 5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.842 -3.029 3.517 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.467 -3.213 4.219 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.442 -1.839 4.696 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.833 -3.477 4.887 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.353 -2.305 6.122 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.999 -3.987 6.584 1.00 0.00 H new ATOM 1048 N CYS A 63 -5.587 -4.850 6.061 1.00 0.00 N ATOM 1049 CA CYS A 63 -6.979 -5.092 5.695 1.00 0.00 C ATOM 1050 C CYS A 63 -7.909 -4.791 6.865 1.00 0.00 C ATOM 1051 O CYS A 63 -9.075 -4.451 6.672 1.00 0.00 O ATOM 1052 CB CYS A 63 -7.164 -6.540 5.240 1.00 0.00 C ATOM 1053 SG CYS A 63 -7.267 -7.732 6.596 1.00 0.00 S ATOM 0 H CYS A 63 -4.978 -5.663 5.965 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.234 -4.425 4.871 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -8.072 -6.608 4.641 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.332 -6.815 4.591 1.00 0.00 H new ATOM 0 HG CYS A 63 -6.535 -7.323 7.590 1.00 0.00 H new ATOM 1059 N ALA A 64 -7.385 -4.920 8.080 1.00 0.00 N ATOM 1060 CA ALA A 64 -8.169 -4.662 9.282 1.00 0.00 C ATOM 1061 C ALA A 64 -8.417 -3.168 9.464 1.00 0.00 C ATOM 1062 O ALA A 64 -9.562 -2.723 9.527 1.00 0.00 O ATOM 1063 CB ALA A 64 -7.467 -5.236 10.503 1.00 0.00 C ATOM 0 H ALA A 64 -6.421 -5.202 8.258 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.136 -5.153 9.169 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.063 -5.036 11.393 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.347 -6.312 10.381 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.487 -4.771 10.611 1.00 0.00 H new ATOM 1069 N MET A 65 -7.336 -2.399 9.551 1.00 0.00 N ATOM 1070 CA MET A 65 -7.438 -0.956 9.727 1.00 0.00 C ATOM 1071 C MET A 65 -8.147 -0.312 8.540 1.00 0.00 C ATOM 1072 O MET A 65 -8.877 0.667 8.697 1.00 0.00 O ATOM 1073 CB MET A 65 -6.046 -0.342 9.897 1.00 0.00 C ATOM 1074 CG MET A 65 -5.279 -0.202 8.592 1.00 0.00 C ATOM 1075 SD MET A 65 -3.610 0.437 8.833 1.00 0.00 S ATOM 1076 CE MET A 65 -2.794 -1.002 9.521 1.00 0.00 C ATOM 0 H MET A 65 -6.380 -2.752 9.502 1.00 0.00 H new ATOM 0 HA MET A 65 -8.025 -0.766 10.626 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.145 0.641 10.358 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.467 -0.959 10.584 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.225 -1.174 8.101 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.826 0.463 7.923 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.950 -0.684 10.133 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.499 -1.560 10.137 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.435 -1.638 8.712 1.00 0.00 H new ATOM 1086 N ILE A 66 -7.929 -0.869 7.353 1.00 0.00 N ATOM 1087 CA ILE A 66 -8.549 -0.349 6.140 1.00 0.00 C ATOM 1088 C ILE A 66 -10.045 -0.638 6.121 1.00 0.00 C ATOM 1089 O ILE A 66 -10.855 0.250 5.855 1.00 0.00 O ATOM 1090 CB ILE A 66 -7.905 -0.949 4.877 1.00 0.00 C ATOM 1091 CG1 ILE A 66 -6.810 -0.021 4.345 1.00 0.00 C ATOM 1092 CG2 ILE A 66 -8.961 -1.197 3.811 1.00 0.00 C ATOM 1093 CD1 ILE A 66 -5.759 0.327 5.376 1.00 0.00 C ATOM 0 H ILE A 66 -7.328 -1.680 7.206 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.390 0.729 6.141 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.449 -1.904 5.138 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.326 -0.495 3.491 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.269 0.898 3.981 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.490 -1.621 2.924 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.708 -1.893 4.193 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.443 -0.255 3.550 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.016 0.987 4.929 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.230 0.830 6.220 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.273 -0.585 5.722 1.00 0.00 H new ATOM 1105 N GLU A 67 -10.406 -1.885 6.406 1.00 0.00 N ATOM 1106 CA GLU A 67 -11.806 -2.291 6.422 1.00 0.00 C ATOM 1107 C GLU A 67 -12.606 -1.446 7.410 1.00 0.00 C ATOM 1108 O GLU A 67 -13.636 -0.871 7.062 1.00 0.00 O ATOM 1109 CB GLU A 67 -11.928 -3.772 6.784 1.00 0.00 C ATOM 1110 CG GLU A 67 -11.763 -4.705 5.597 1.00 0.00 C ATOM 1111 CD GLU A 67 -13.090 -5.118 4.991 1.00 0.00 C ATOM 1112 OE1 GLU A 67 -13.964 -4.242 4.821 1.00 0.00 O ATOM 1113 OE2 GLU A 67 -13.255 -6.317 4.686 1.00 0.00 O ATOM 0 H GLU A 67 -9.748 -2.632 6.629 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.214 -2.135 5.423 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.177 -4.017 7.535 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.903 -3.947 7.240 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.157 -4.214 4.835 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.219 -5.595 5.912 1.00 0.00 H new ATOM 1120 N GLY A 68 -12.123 -1.379 8.647 1.00 0.00 N ATOM 1121 CA GLY A 68 -12.804 -0.604 9.668 1.00 0.00 C ATOM 1122 C GLY A 68 -12.847 0.875 9.342 1.00 0.00 C ATOM 1123 O GLY A 68 -13.907 1.498 9.393 1.00 0.00 O ATOM 0 H GLY A 68 -11.273 -1.847 8.960 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.822 -0.977 9.784 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.301 -0.747 10.624 1.00 0.00 H new ATOM 1127 N ALA A 69 -11.691 1.439 9.007 1.00 0.00 N ATOM 1128 CA ALA A 69 -11.600 2.854 8.671 1.00 0.00 C ATOM 1129 C ALA A 69 -12.617 3.230 7.598 1.00 0.00 C ATOM 1130 O ALA A 69 -13.434 4.129 7.794 1.00 0.00 O ATOM 1131 CB ALA A 69 -10.191 3.198 8.208 1.00 0.00 C ATOM 0 H ALA A 69 -10.804 0.937 8.961 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.827 3.430 9.568 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.138 4.258 7.960 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.482 2.976 9.005 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.943 2.607 7.326 1.00 0.00 H new ATOM 1137 N GLN A 70 -12.559 2.537 6.466 1.00 0.00 N ATOM 1138 CA GLN A 70 -13.475 2.800 5.362 1.00 0.00 C ATOM 1139 C GLN A 70 -14.916 2.506 5.769 1.00 0.00 C ATOM 1140 O GLN A 70 -15.847 3.162 5.304 1.00 0.00 O ATOM 1141 CB GLN A 70 -13.094 1.957 4.144 1.00 0.00 C ATOM 1142 CG GLN A 70 -13.535 0.505 4.247 1.00 0.00 C ATOM 1143 CD GLN A 70 -13.311 -0.266 2.961 1.00 0.00 C ATOM 1144 OE1 GLN A 70 -12.657 -1.309 2.954 1.00 0.00 O ATOM 1145 NE2 GLN A 70 -13.855 0.246 1.862 1.00 0.00 N ATOM 0 H GLN A 70 -11.888 1.790 6.289 1.00 0.00 H new ATOM 0 HA GLN A 70 -13.398 3.856 5.102 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.537 2.400 3.252 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.012 1.991 4.013 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.989 0.020 5.056 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -14.592 0.468 4.509 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -14.389 1.113 1.914 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.738 -0.228 0.967 1.00 0.00 H new ATOM 1154 N GLY A 71 -15.090 1.517 6.639 1.00 0.00 N ATOM 1155 CA GLY A 71 -16.419 1.154 7.093 1.00 0.00 C ATOM 1156 C GLY A 71 -17.139 2.308 7.762 1.00 0.00 C ATOM 1157 O GLY A 71 -18.271 2.634 7.406 1.00 0.00 O ATOM 0 H GLY A 71 -14.334 0.960 7.038 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -17.007 0.806 6.244 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.346 0.321 7.792 1.00 0.00 H new ATOM 1161 N ALA A 72 -16.482 2.928 8.737 1.00 0.00 N ATOM 1162 CA ALA A 72 -17.066 4.053 9.457 1.00 0.00 C ATOM 1163 C ALA A 72 -17.141 5.292 8.572 1.00 0.00 C ATOM 1164 O ALA A 72 -18.142 6.011 8.578 1.00 0.00 O ATOM 1165 CB ALA A 72 -16.260 4.349 10.715 1.00 0.00 C ATOM 0 H ALA A 72 -15.545 2.670 9.046 1.00 0.00 H new ATOM 0 HA ALA A 72 -18.082 3.781 9.744 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.707 5.191 11.243 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -16.261 3.472 11.363 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.234 4.596 10.440 1.00 0.00 H new ATOM 1171 N LEU A 73 -16.079 5.537 7.812 1.00 0.00 N ATOM 1172 CA LEU A 73 -16.027 6.691 6.921 1.00 0.00 C ATOM 1173 C LEU A 73 -17.140 6.626 5.880 1.00 0.00 C ATOM 1174 O LEU A 73 -17.944 7.550 5.761 1.00 0.00 O ATOM 1175 CB LEU A 73 -14.666 6.759 6.224 1.00 0.00 C ATOM 1176 CG LEU A 73 -13.996 8.134 6.195 1.00 0.00 C ATOM 1177 CD1 LEU A 73 -12.496 8.001 6.404 1.00 0.00 C ATOM 1178 CD2 LEU A 73 -14.293 8.844 4.882 1.00 0.00 C ATOM 0 H LEU A 73 -15.243 4.953 7.795 1.00 0.00 H new ATOM 0 HA LEU A 73 -16.168 7.590 7.521 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.992 6.059 6.717 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.788 6.414 5.197 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.404 8.733 7.009 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.036 8.989 6.380 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.303 7.534 7.370 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.072 7.384 5.612 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -13.809 9.820 4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.914 8.248 4.052 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -15.370 8.973 4.774 1.00 0.00 H new ATOM 1190 N GLU A 74 -17.180 5.529 5.131 1.00 0.00 N ATOM 1191 CA GLU A 74 -18.197 5.345 4.101 1.00 0.00 C ATOM 1192 C GLU A 74 -19.597 5.366 4.709 1.00 0.00 C ATOM 1193 O GLU A 74 -20.486 6.062 4.219 1.00 0.00 O ATOM 1194 CB GLU A 74 -17.971 4.025 3.361 1.00 0.00 C ATOM 1195 CG GLU A 74 -18.378 4.071 1.898 1.00 0.00 C ATOM 1196 CD GLU A 74 -19.736 3.444 1.650 1.00 0.00 C ATOM 1197 OE1 GLU A 74 -20.492 3.258 2.626 1.00 0.00 O ATOM 1198 OE2 GLU A 74 -20.042 3.139 0.478 1.00 0.00 O ATOM 0 H GLU A 74 -16.521 4.755 5.217 1.00 0.00 H new ATOM 0 HA GLU A 74 -18.114 6.170 3.393 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -16.917 3.756 3.428 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -18.533 3.237 3.861 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -18.394 5.108 1.562 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.628 3.553 1.300 1.00 0.00 H new ATOM 1205 N ARG A 75 -19.784 4.600 5.778 1.00 0.00 N ATOM 1206 CA ARG A 75 -21.075 4.528 6.451 1.00 0.00 C ATOM 1207 C ARG A 75 -21.482 5.896 6.991 1.00 0.00 C ATOM 1208 O ARG A 75 -22.668 6.204 7.098 1.00 0.00 O ATOM 1209 CB ARG A 75 -21.023 3.513 7.594 1.00 0.00 C ATOM 1210 CG ARG A 75 -22.389 3.166 8.163 1.00 0.00 C ATOM 1211 CD ARG A 75 -23.110 2.143 7.298 1.00 0.00 C ATOM 1212 NE ARG A 75 -22.736 0.774 7.642 1.00 0.00 N ATOM 1213 CZ ARG A 75 -23.217 0.124 8.695 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -24.089 0.713 9.502 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -22.828 -1.121 8.942 1.00 0.00 N ATOM 0 H ARG A 75 -19.057 4.020 6.197 1.00 0.00 H new ATOM 0 HA ARG A 75 -21.819 4.206 5.722 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -20.545 2.601 7.237 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -20.396 3.910 8.393 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -22.274 2.773 9.173 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -22.993 4.070 8.239 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -24.187 2.265 7.414 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -22.880 2.329 6.249 1.00 0.00 H new ATOM 0 HE ARG A 75 -22.069 0.291 7.040 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -24.392 1.669 9.315 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -24.456 0.210 10.310 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -22.159 -1.579 8.323 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -23.198 -1.620 9.751 1.00 0.00 H new ATOM 1229 N GLU A 76 -20.489 6.713 7.331 1.00 0.00 N ATOM 1230 CA GLU A 76 -20.744 8.047 7.861 1.00 0.00 C ATOM 1231 C GLU A 76 -21.117 9.014 6.742 1.00 0.00 C ATOM 1232 O GLU A 76 -22.161 9.667 6.792 1.00 0.00 O ATOM 1233 CB GLU A 76 -19.516 8.566 8.611 1.00 0.00 C ATOM 1234 CG GLU A 76 -19.458 8.124 10.064 1.00 0.00 C ATOM 1235 CD GLU A 76 -20.441 8.874 10.941 1.00 0.00 C ATOM 1236 OE1 GLU A 76 -20.200 10.068 11.216 1.00 0.00 O ATOM 1237 OE2 GLU A 76 -21.451 8.267 11.354 1.00 0.00 O ATOM 0 H GLU A 76 -19.501 6.474 7.249 1.00 0.00 H new ATOM 0 HA GLU A 76 -21.582 7.980 8.555 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -18.617 8.223 8.100 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -19.510 9.655 8.571 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -19.665 7.056 10.123 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -18.448 8.274 10.446 1.00 0.00 H new ATOM 1244 N LEU A 77 -20.257 9.102 5.733 1.00 0.00 N ATOM 1245 CA LEU A 77 -20.496 9.991 4.601 1.00 0.00 C ATOM 1246 C LEU A 77 -21.739 9.566 3.827 1.00 0.00 C ATOM 1247 O LEU A 77 -22.379 10.381 3.161 1.00 0.00 O ATOM 1248 CB LEU A 77 -19.280 9.999 3.670 1.00 0.00 C ATOM 1249 CG LEU A 77 -18.850 8.641 3.116 1.00 0.00 C ATOM 1250 CD1 LEU A 77 -19.555 8.352 1.801 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -17.339 8.594 2.935 1.00 0.00 C ATOM 0 H LEU A 77 -19.389 8.569 5.676 1.00 0.00 H new ATOM 0 HA LEU A 77 -20.658 10.997 4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -19.495 10.660 2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -18.438 10.432 4.209 1.00 0.00 H new ATOM 0 HG LEU A 77 -19.135 7.871 3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -19.236 7.381 1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -20.633 8.343 1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -19.302 9.125 1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -17.050 7.620 2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -17.032 9.374 2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.852 8.754 3.897 1.00 0.00 H new ATOM 1263 N LYS A 78 -22.079 8.284 3.920 1.00 0.00 N ATOM 1264 CA LYS A 78 -23.249 7.751 3.232 1.00 0.00 C ATOM 1265 C LYS A 78 -24.533 8.339 3.808 1.00 0.00 C ATOM 1266 O LYS A 78 -25.604 8.217 3.212 1.00 0.00 O ATOM 1267 CB LYS A 78 -23.280 6.225 3.344 1.00 0.00 C ATOM 1268 CG LYS A 78 -22.606 5.517 2.182 1.00 0.00 C ATOM 1269 CD LYS A 78 -23.467 5.552 0.931 1.00 0.00 C ATOM 1270 CE LYS A 78 -22.686 5.116 -0.298 1.00 0.00 C ATOM 1271 NZ LYS A 78 -22.844 3.660 -0.569 1.00 0.00 N ATOM 0 H LYS A 78 -21.561 7.595 4.465 1.00 0.00 H new ATOM 0 HA LYS A 78 -23.181 8.031 2.181 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -22.793 5.927 4.272 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -24.317 5.895 3.408 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -21.645 5.988 1.976 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -22.402 4.482 2.455 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -24.330 4.900 1.064 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -23.850 6.561 0.780 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -23.024 5.685 -1.164 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -21.630 5.347 -0.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -21.953 3.168 -0.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -23.604 3.276 0.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -23.086 3.518 -1.570 1.00 0.00 H new ATOM 1285 N ARG A 79 -24.419 8.978 4.967 1.00 0.00 N ATOM 1286 CA ARG A 79 -25.572 9.584 5.622 1.00 0.00 C ATOM 1287 C ARG A 79 -26.333 10.486 4.655 1.00 0.00 C ATOM 1288 O ARG A 79 -27.560 10.427 4.568 1.00 0.00 O ATOM 1289 CB ARG A 79 -25.126 10.390 6.844 1.00 0.00 C ATOM 1290 CG ARG A 79 -26.280 10.933 7.670 1.00 0.00 C ATOM 1291 CD ARG A 79 -26.888 9.856 8.556 1.00 0.00 C ATOM 1292 NE ARG A 79 -26.011 9.507 9.670 1.00 0.00 N ATOM 1293 CZ ARG A 79 -26.370 8.699 10.663 1.00 0.00 C ATOM 1294 NH1 ARG A 79 -27.581 8.161 10.678 1.00 0.00 N ATOM 1295 NH2 ARG A 79 -25.516 8.429 11.642 1.00 0.00 N ATOM 0 H ARG A 79 -23.540 9.090 5.472 1.00 0.00 H new ATOM 0 HA ARG A 79 -26.237 8.784 5.946 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -24.503 9.759 7.477 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -24.504 11.222 6.513 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -25.929 11.759 8.289 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -27.046 11.335 7.007 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -27.846 10.203 8.943 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -27.089 8.966 7.960 1.00 0.00 H new ATOM 0 HE ARG A 79 -25.072 9.905 9.687 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -28.240 8.366 9.927 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -27.854 7.541 11.441 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -24.583 8.841 11.633 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -25.792 7.809 12.403 1.00 0.00 H new ATOM 1309 N THR A 80 -25.597 11.324 3.931 1.00 0.00 N ATOM 1310 CA THR A 80 -26.204 12.239 2.972 1.00 0.00 C ATOM 1311 C THR A 80 -25.193 12.678 1.917 1.00 0.00 C ATOM 1312 O THR A 80 -23.990 12.716 2.175 1.00 0.00 O ATOM 1313 CB THR A 80 -26.773 13.487 3.670 1.00 0.00 C ATOM 1314 OG1 THR A 80 -26.008 13.786 4.843 1.00 0.00 O ATOM 1315 CG2 THR A 80 -28.231 13.277 4.051 1.00 0.00 C ATOM 0 H THR A 80 -24.581 11.388 3.991 1.00 0.00 H new ATOM 0 HA THR A 80 -27.018 11.698 2.490 1.00 0.00 H new ATOM 0 HB THR A 80 -26.712 14.323 2.974 1.00 0.00 H new ATOM 0 HG1 THR A 80 -26.376 14.582 5.279 1.00 0.00 H new ATOM 0 HG21 THR A 80 -28.611 14.172 4.543 1.00 0.00 H new ATOM 0 HG22 THR A 80 -28.817 13.080 3.153 1.00 0.00 H new ATOM 0 HG23 THR A 80 -28.311 12.428 4.730 1.00 0.00 H new ATOM 1323 N ASP A 81 -25.690 13.008 0.731 1.00 0.00 N ATOM 1324 CA ASP A 81 -24.831 13.446 -0.363 1.00 0.00 C ATOM 1325 C ASP A 81 -25.655 13.780 -1.603 1.00 0.00 C ATOM 1326 O ASP A 81 -26.448 12.962 -2.073 1.00 0.00 O ATOM 1327 CB ASP A 81 -23.802 12.365 -0.696 1.00 0.00 C ATOM 1328 CG ASP A 81 -23.113 12.609 -2.024 1.00 0.00 C ATOM 1329 OD1 ASP A 81 -22.974 13.789 -2.412 1.00 0.00 O ATOM 1330 OD2 ASP A 81 -22.715 11.622 -2.677 1.00 0.00 O ATOM 0 H ASP A 81 -26.684 12.981 0.502 1.00 0.00 H new ATOM 0 HA ASP A 81 -24.309 14.348 -0.042 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -23.054 12.324 0.096 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -24.295 11.393 -0.719 1.00 0.00 H new ATOM 1335 N LEU A 82 -25.465 14.984 -2.127 1.00 0.00 N ATOM 1336 CA LEU A 82 -26.192 15.428 -3.312 1.00 0.00 C ATOM 1337 C LEU A 82 -25.458 16.569 -4.006 1.00 0.00 C ATOM 1338 O LEU A 82 -25.620 17.735 -3.647 1.00 0.00 O ATOM 1339 CB LEU A 82 -27.605 15.872 -2.930 1.00 0.00 C ATOM 1340 CG LEU A 82 -28.677 15.698 -4.006 1.00 0.00 C ATOM 1341 CD1 LEU A 82 -30.052 15.561 -3.373 1.00 0.00 C ATOM 1342 CD2 LEU A 82 -28.651 16.868 -4.980 1.00 0.00 C ATOM 0 H LEU A 82 -24.813 15.672 -1.750 1.00 0.00 H new ATOM 0 HA LEU A 82 -26.256 14.589 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -27.913 15.314 -2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -27.570 16.924 -2.647 1.00 0.00 H new ATOM 0 HG LEU A 82 -28.462 14.784 -4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -30.802 15.438 -4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -30.065 14.691 -2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -30.276 16.456 -2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -29.421 16.727 -5.739 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -28.840 17.796 -4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -27.674 16.920 -5.460 1.00 0.00 H new ATOM 1354 N ASN A 83 -24.650 16.226 -5.004 1.00 0.00 N ATOM 1355 CA ASN A 83 -23.891 17.222 -5.751 1.00 0.00 C ATOM 1356 C ASN A 83 -23.057 16.564 -6.845 1.00 0.00 C ATOM 1357 O ASN A 83 -22.723 15.381 -6.758 1.00 0.00 O ATOM 1358 CB ASN A 83 -22.982 18.015 -4.808 1.00 0.00 C ATOM 1359 CG ASN A 83 -23.452 19.445 -4.619 1.00 0.00 C ATOM 1360 OD1 ASN A 83 -23.791 19.856 -3.510 1.00 0.00 O ATOM 1361 ND2 ASN A 83 -23.472 20.209 -5.705 1.00 0.00 N ATOM 0 H ASN A 83 -24.504 15.265 -5.314 1.00 0.00 H new ATOM 0 HA ASN A 83 -24.600 17.904 -6.221 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -22.945 17.517 -3.839 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -21.967 18.018 -5.204 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -23.778 21.180 -5.640 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -23.182 19.825 -6.604 1.00 0.00 H new ATOM 1368 N ILE A 84 -22.723 17.337 -7.873 1.00 0.00 N ATOM 1369 CA ILE A 84 -21.926 16.829 -8.982 1.00 0.00 C ATOM 1370 C ILE A 84 -20.556 16.356 -8.505 1.00 0.00 C ATOM 1371 O ILE A 84 -20.179 15.201 -8.712 1.00 0.00 O ATOM 1372 CB ILE A 84 -21.735 17.897 -10.075 1.00 0.00 C ATOM 1373 CG1 ILE A 84 -23.093 18.393 -10.577 1.00 0.00 C ATOM 1374 CG2 ILE A 84 -20.911 17.339 -11.226 1.00 0.00 C ATOM 1375 CD1 ILE A 84 -22.996 19.586 -11.501 1.00 0.00 C ATOM 0 H ILE A 84 -22.992 18.317 -7.961 1.00 0.00 H new ATOM 0 HA ILE A 84 -22.473 15.985 -9.402 1.00 0.00 H new ATOM 0 HB ILE A 84 -21.196 18.741 -9.645 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -23.598 17.580 -11.099 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -23.714 18.656 -9.721 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -20.786 18.107 -11.989 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -19.933 17.031 -10.857 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -21.424 16.479 -11.657 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -23.996 19.883 -11.818 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -22.520 20.415 -10.977 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -22.402 19.321 -12.376 1.00 0.00 H new ATOM 1387 N LEU A 85 -19.818 17.255 -7.864 1.00 0.00 N ATOM 1388 CA LEU A 85 -18.490 16.929 -7.354 1.00 0.00 C ATOM 1389 C LEU A 85 -18.567 15.844 -6.286 1.00 0.00 C ATOM 1390 O LEU A 85 -17.816 14.870 -6.321 1.00 0.00 O ATOM 1391 CB LEU A 85 -17.822 18.180 -6.781 1.00 0.00 C ATOM 1392 CG LEU A 85 -16.313 18.090 -6.550 1.00 0.00 C ATOM 1393 CD1 LEU A 85 -15.699 19.479 -6.484 1.00 0.00 C ATOM 1394 CD2 LEU A 85 -16.013 17.310 -5.277 1.00 0.00 C ATOM 0 H LEU A 85 -20.115 18.214 -7.685 1.00 0.00 H new ATOM 0 HA LEU A 85 -17.891 16.552 -8.183 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -18.017 19.013 -7.456 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -18.301 18.421 -5.832 1.00 0.00 H new ATOM 0 HG LEU A 85 -15.868 17.558 -7.391 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -14.625 19.395 -6.319 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -15.882 20.003 -7.422 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -16.149 20.037 -5.663 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -14.934 17.256 -5.129 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -16.472 17.813 -4.426 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -16.418 16.302 -5.364 1.00 0.00 H new ATOM 1406 N GLU A 86 -19.482 16.020 -5.337 1.00 0.00 N ATOM 1407 CA GLU A 86 -19.657 15.054 -4.258 1.00 0.00 C ATOM 1408 C GLU A 86 -19.972 13.668 -4.815 1.00 0.00 C ATOM 1409 O GLU A 86 -19.455 12.662 -4.331 1.00 0.00 O ATOM 1410 CB GLU A 86 -20.778 15.505 -3.319 1.00 0.00 C ATOM 1411 CG GLU A 86 -20.556 16.885 -2.724 1.00 0.00 C ATOM 1412 CD GLU A 86 -19.375 16.927 -1.774 1.00 0.00 C ATOM 1413 OE1 GLU A 86 -19.412 16.218 -0.748 1.00 0.00 O ATOM 1414 OE2 GLU A 86 -18.412 17.672 -2.059 1.00 0.00 O ATOM 0 H GLU A 86 -20.112 16.821 -5.294 1.00 0.00 H new ATOM 0 HA GLU A 86 -18.723 14.998 -3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -21.721 15.502 -3.865 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -20.876 14.781 -2.510 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -20.396 17.602 -3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -21.456 17.197 -2.194 1.00 0.00 H new ATOM 1421 N ARG A 87 -20.823 13.626 -5.834 1.00 0.00 N ATOM 1422 CA ARG A 87 -21.209 12.364 -6.455 1.00 0.00 C ATOM 1423 C ARG A 87 -20.013 11.706 -7.136 1.00 0.00 C ATOM 1424 O ARG A 87 -19.782 10.506 -6.985 1.00 0.00 O ATOM 1425 CB ARG A 87 -22.327 12.594 -7.475 1.00 0.00 C ATOM 1426 CG ARG A 87 -22.791 11.323 -8.165 1.00 0.00 C ATOM 1427 CD ARG A 87 -24.190 11.481 -8.741 1.00 0.00 C ATOM 1428 NE ARG A 87 -25.203 11.595 -7.695 1.00 0.00 N ATOM 1429 CZ ARG A 87 -26.461 11.949 -7.927 1.00 0.00 C ATOM 1430 NH1 ARG A 87 -26.861 12.220 -9.162 1.00 0.00 N ATOM 1431 NH2 ARG A 87 -27.324 12.032 -6.922 1.00 0.00 N ATOM 0 H ARG A 87 -21.259 14.450 -6.247 1.00 0.00 H new ATOM 0 HA ARG A 87 -21.572 11.698 -5.672 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -23.177 13.056 -6.972 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -21.980 13.301 -8.229 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -22.095 11.066 -8.963 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -22.780 10.497 -7.454 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -24.223 12.367 -9.375 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -24.419 10.625 -9.376 1.00 0.00 H new ATOM 0 HE ARG A 87 -24.929 11.391 -6.734 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -26.201 12.157 -9.937 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -27.829 12.492 -9.337 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -27.021 11.824 -5.971 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -28.291 12.304 -7.101 1.00 0.00 H new ATOM 1445 N PHE A 88 -19.255 12.499 -7.887 1.00 0.00 N ATOM 1446 CA PHE A 88 -18.084 11.994 -8.592 1.00 0.00 C ATOM 1447 C PHE A 88 -17.059 11.431 -7.611 1.00 0.00 C ATOM 1448 O PHE A 88 -16.649 10.275 -7.720 1.00 0.00 O ATOM 1449 CB PHE A 88 -17.447 13.104 -9.430 1.00 0.00 C ATOM 1450 CG PHE A 88 -16.125 12.721 -10.029 1.00 0.00 C ATOM 1451 CD1 PHE A 88 -16.050 11.746 -11.011 1.00 0.00 C ATOM 1452 CD2 PHE A 88 -14.955 13.334 -9.609 1.00 0.00 C ATOM 1453 CE1 PHE A 88 -14.834 11.391 -11.565 1.00 0.00 C ATOM 1454 CE2 PHE A 88 -13.737 12.983 -10.159 1.00 0.00 C ATOM 1455 CZ PHE A 88 -13.676 12.010 -11.138 1.00 0.00 C ATOM 0 H PHE A 88 -19.432 13.494 -8.022 1.00 0.00 H new ATOM 0 HA PHE A 88 -18.409 11.191 -9.253 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -18.132 13.382 -10.231 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -17.311 13.987 -8.805 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -16.952 11.257 -11.348 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -14.996 14.095 -8.843 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -14.790 10.631 -12.331 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.833 13.469 -9.824 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.725 11.734 -11.568 1.00 0.00 H new ATOM 1465 N ASN A 89 -16.648 12.256 -6.654 1.00 0.00 N ATOM 1466 CA ASN A 89 -15.672 11.842 -5.654 1.00 0.00 C ATOM 1467 C ASN A 89 -16.151 10.602 -4.907 1.00 0.00 C ATOM 1468 O ASN A 89 -15.378 9.674 -4.663 1.00 0.00 O ATOM 1469 CB ASN A 89 -15.411 12.979 -4.665 1.00 0.00 C ATOM 1470 CG ASN A 89 -14.648 14.129 -5.293 1.00 0.00 C ATOM 1471 OD1 ASN A 89 -14.640 14.290 -6.514 1.00 0.00 O ATOM 1472 ND2 ASN A 89 -14.001 14.936 -4.459 1.00 0.00 N ATOM 0 H ASN A 89 -16.976 13.216 -6.550 1.00 0.00 H new ATOM 0 HA ASN A 89 -14.743 11.597 -6.169 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -16.362 13.346 -4.278 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -14.848 12.595 -3.814 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -13.470 15.727 -4.824 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -14.035 14.765 -3.454 1.00 0.00 H new ATOM 1479 N TYR A 90 -17.429 10.593 -4.545 1.00 0.00 N ATOM 1480 CA TYR A 90 -18.011 9.467 -3.823 1.00 0.00 C ATOM 1481 C TYR A 90 -18.006 8.207 -4.683 1.00 0.00 C ATOM 1482 O TYR A 90 -17.600 7.137 -4.230 1.00 0.00 O ATOM 1483 CB TYR A 90 -19.441 9.797 -3.391 1.00 0.00 C ATOM 1484 CG TYR A 90 -19.521 10.529 -2.070 1.00 0.00 C ATOM 1485 CD1 TYR A 90 -18.638 11.558 -1.769 1.00 0.00 C ATOM 1486 CD2 TYR A 90 -20.480 10.192 -1.124 1.00 0.00 C ATOM 1487 CE1 TYR A 90 -18.706 12.229 -0.563 1.00 0.00 C ATOM 1488 CE2 TYR A 90 -20.558 10.858 0.085 1.00 0.00 C ATOM 1489 CZ TYR A 90 -19.668 11.875 0.360 1.00 0.00 C ATOM 1490 OH TYR A 90 -19.741 12.542 1.561 1.00 0.00 O ATOM 0 H TYR A 90 -18.082 11.352 -4.739 1.00 0.00 H new ATOM 0 HA TYR A 90 -17.403 9.283 -2.937 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -19.914 10.405 -4.163 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -20.013 8.872 -3.319 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -17.885 11.839 -2.490 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -21.177 9.395 -1.337 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -18.010 13.026 -0.344 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -21.311 10.584 0.809 1.00 0.00 H new ATOM 0 HH TYR A 90 -20.539 12.250 2.049 1.00 0.00 H new ATOM 1500 N GLU A 91 -18.458 8.344 -5.925 1.00 0.00 N ATOM 1501 CA GLU A 91 -18.505 7.216 -6.849 1.00 0.00 C ATOM 1502 C GLU A 91 -17.139 6.545 -6.957 1.00 0.00 C ATOM 1503 O GLU A 91 -17.012 5.337 -6.757 1.00 0.00 O ATOM 1504 CB GLU A 91 -18.969 7.680 -8.231 1.00 0.00 C ATOM 1505 CG GLU A 91 -20.480 7.763 -8.370 1.00 0.00 C ATOM 1506 CD GLU A 91 -21.128 6.399 -8.512 1.00 0.00 C ATOM 1507 OE1 GLU A 91 -21.243 5.913 -9.657 1.00 0.00 O ATOM 1508 OE2 GLU A 91 -21.522 5.819 -7.478 1.00 0.00 O ATOM 0 H GLU A 91 -18.797 9.224 -6.315 1.00 0.00 H new ATOM 0 HA GLU A 91 -19.218 6.489 -6.460 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -18.539 8.660 -8.439 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -18.580 6.995 -8.984 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -20.894 8.269 -7.498 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -20.728 8.372 -9.240 1.00 0.00 H new ATOM 1515 N GLU A 92 -16.120 7.337 -7.278 1.00 0.00 N ATOM 1516 CA GLU A 92 -14.764 6.818 -7.415 1.00 0.00 C ATOM 1517 C GLU A 92 -14.264 6.245 -6.091 1.00 0.00 C ATOM 1518 O GLU A 92 -13.587 5.218 -6.063 1.00 0.00 O ATOM 1519 CB GLU A 92 -13.819 7.921 -7.895 1.00 0.00 C ATOM 1520 CG GLU A 92 -12.541 7.395 -8.527 1.00 0.00 C ATOM 1521 CD GLU A 92 -11.691 8.497 -9.128 1.00 0.00 C ATOM 1522 OE1 GLU A 92 -12.124 9.101 -10.133 1.00 0.00 O ATOM 1523 OE2 GLU A 92 -10.592 8.757 -8.593 1.00 0.00 O ATOM 0 H GLU A 92 -16.208 8.339 -7.448 1.00 0.00 H new ATOM 0 HA GLU A 92 -14.782 6.017 -8.154 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -14.342 8.546 -8.619 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -13.561 8.560 -7.050 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.960 6.863 -7.774 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.794 6.673 -9.303 1.00 0.00 H new ATOM 1530 N ALA A 93 -14.603 6.919 -4.997 1.00 0.00 N ATOM 1531 CA ALA A 93 -14.190 6.478 -3.670 1.00 0.00 C ATOM 1532 C ALA A 93 -14.613 5.035 -3.416 1.00 0.00 C ATOM 1533 O ALA A 93 -13.780 4.180 -3.113 1.00 0.00 O ATOM 1534 CB ALA A 93 -14.771 7.394 -2.605 1.00 0.00 C ATOM 0 H ALA A 93 -15.162 7.772 -5.003 1.00 0.00 H new ATOM 0 HA ALA A 93 -13.102 6.526 -3.620 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -14.454 7.053 -1.619 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.417 8.412 -2.768 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.859 7.375 -2.663 1.00 0.00 H new ATOM 1540 N GLN A 94 -15.909 4.771 -3.541 1.00 0.00 N ATOM 1541 CA GLN A 94 -16.441 3.431 -3.323 1.00 0.00 C ATOM 1542 C GLN A 94 -15.894 2.454 -4.357 1.00 0.00 C ATOM 1543 O GLN A 94 -15.617 1.294 -4.047 1.00 0.00 O ATOM 1544 CB GLN A 94 -17.969 3.450 -3.379 1.00 0.00 C ATOM 1545 CG GLN A 94 -18.523 3.981 -4.692 1.00 0.00 C ATOM 1546 CD GLN A 94 -20.037 3.958 -4.738 1.00 0.00 C ATOM 1547 OE1 GLN A 94 -20.705 4.603 -3.930 1.00 0.00 O ATOM 1548 NE2 GLN A 94 -20.590 3.211 -5.688 1.00 0.00 N ATOM 0 H GLN A 94 -16.611 5.467 -3.792 1.00 0.00 H new ATOM 0 HA GLN A 94 -16.126 3.099 -2.334 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -18.343 2.439 -3.219 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -18.347 4.063 -2.560 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -18.174 5.003 -4.842 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -18.129 3.385 -5.516 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -19.999 2.692 -6.337 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -21.605 3.157 -5.768 1.00 0.00 H new ATOM 1557 N THR A 95 -15.740 2.928 -5.590 1.00 0.00 N ATOM 1558 CA THR A 95 -15.228 2.096 -6.671 1.00 0.00 C ATOM 1559 C THR A 95 -13.845 1.550 -6.337 1.00 0.00 C ATOM 1560 O THR A 95 -13.605 0.345 -6.421 1.00 0.00 O ATOM 1561 CB THR A 95 -15.152 2.879 -7.996 1.00 0.00 C ATOM 1562 OG1 THR A 95 -16.456 3.342 -8.366 1.00 0.00 O ATOM 1563 CG2 THR A 95 -14.583 2.011 -9.106 1.00 0.00 C ATOM 0 H THR A 95 -15.963 3.885 -5.864 1.00 0.00 H new ATOM 0 HA THR A 95 -15.925 1.266 -6.788 1.00 0.00 H new ATOM 0 HB THR A 95 -14.491 3.733 -7.850 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.647 4.184 -7.903 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.539 2.586 -10.031 1.00 0.00 H new ATOM 0 HG22 THR A 95 -13.579 1.684 -8.834 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.222 1.140 -9.250 1.00 0.00 H new ATOM 1571 N LEU A 96 -12.938 2.443 -5.957 1.00 0.00 N ATOM 1572 CA LEU A 96 -11.577 2.050 -5.608 1.00 0.00 C ATOM 1573 C LEU A 96 -11.564 1.187 -4.350 1.00 0.00 C ATOM 1574 O LEU A 96 -10.826 0.206 -4.266 1.00 0.00 O ATOM 1575 CB LEU A 96 -10.705 3.289 -5.400 1.00 0.00 C ATOM 1576 CG LEU A 96 -10.422 4.128 -6.647 1.00 0.00 C ATOM 1577 CD1 LEU A 96 -9.608 5.362 -6.288 1.00 0.00 C ATOM 1578 CD2 LEU A 96 -9.698 3.297 -7.697 1.00 0.00 C ATOM 0 H LEU A 96 -13.120 3.444 -5.883 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.172 1.463 -6.432 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.186 3.927 -4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.752 2.971 -4.977 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.375 4.455 -7.064 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.417 5.946 -7.188 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.163 5.969 -5.573 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.660 5.056 -5.846 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.505 3.911 -8.577 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.752 2.939 -7.289 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.317 2.445 -7.977 1.00 0.00 H new ATOM 1590 N SER A 97 -12.387 1.560 -3.375 1.00 0.00 N ATOM 1591 CA SER A 97 -12.469 0.822 -2.120 1.00 0.00 C ATOM 1592 C SER A 97 -12.929 -0.612 -2.363 1.00 0.00 C ATOM 1593 O SER A 97 -12.403 -1.554 -1.770 1.00 0.00 O ATOM 1594 CB SER A 97 -13.430 1.521 -1.156 1.00 0.00 C ATOM 1595 OG SER A 97 -14.723 0.946 -1.217 1.00 0.00 O ATOM 0 H SER A 97 -13.006 2.369 -3.430 1.00 0.00 H new ATOM 0 HA SER A 97 -11.474 0.796 -1.676 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.045 1.450 -0.139 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.488 2.581 -1.401 1.00 0.00 H new ATOM 0 HG SER A 97 -15.095 1.072 -2.115 1.00 0.00 H new ATOM 1601 N LYS A 98 -13.915 -0.770 -3.240 1.00 0.00 N ATOM 1602 CA LYS A 98 -14.446 -2.089 -3.565 1.00 0.00 C ATOM 1603 C LYS A 98 -13.400 -2.937 -4.279 1.00 0.00 C ATOM 1604 O LYS A 98 -13.146 -4.080 -3.897 1.00 0.00 O ATOM 1605 CB LYS A 98 -15.695 -1.957 -4.439 1.00 0.00 C ATOM 1606 CG LYS A 98 -16.866 -1.296 -3.732 1.00 0.00 C ATOM 1607 CD LYS A 98 -18.065 -2.225 -3.652 1.00 0.00 C ATOM 1608 CE LYS A 98 -18.188 -2.860 -2.275 1.00 0.00 C ATOM 1609 NZ LYS A 98 -19.503 -3.534 -2.090 1.00 0.00 N ATOM 0 H LYS A 98 -14.363 -0.001 -3.738 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.713 -2.585 -2.632 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.446 -1.379 -5.329 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.998 -2.948 -4.777 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -16.566 -1.001 -2.727 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -17.145 -0.385 -4.262 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -18.974 -1.668 -3.879 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -17.973 -3.006 -4.407 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -17.386 -3.585 -2.136 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -18.062 -2.094 -1.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -19.547 -3.954 -1.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -20.268 -2.838 -2.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -19.613 -4.282 -2.804 1.00 0.00 H new ATOM 1623 N ILE A 99 -12.793 -2.370 -5.317 1.00 0.00 N ATOM 1624 CA ILE A 99 -11.772 -3.074 -6.083 1.00 0.00 C ATOM 1625 C ILE A 99 -10.628 -3.530 -5.184 1.00 0.00 C ATOM 1626 O ILE A 99 -10.233 -4.697 -5.207 1.00 0.00 O ATOM 1627 CB ILE A 99 -11.204 -2.191 -7.208 1.00 0.00 C ATOM 1628 CG1 ILE A 99 -12.321 -1.759 -8.161 1.00 0.00 C ATOM 1629 CG2 ILE A 99 -10.113 -2.933 -7.965 1.00 0.00 C ATOM 1630 CD1 ILE A 99 -12.014 -0.484 -8.914 1.00 0.00 C ATOM 0 H ILE A 99 -12.991 -1.425 -5.646 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.254 -3.946 -6.525 1.00 0.00 H new ATOM 0 HB ILE A 99 -10.767 -1.298 -6.762 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -12.505 -2.559 -8.878 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -13.241 -1.623 -7.592 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.722 -2.295 -8.757 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -9.308 -3.195 -7.279 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.527 -3.842 -8.402 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.849 -0.239 -9.570 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.859 0.329 -8.205 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.112 -0.622 -9.511 1.00 0.00 H new ATOM 1642 N LEU A 100 -10.101 -2.605 -4.391 1.00 0.00 N ATOM 1643 CA LEU A 100 -9.002 -2.912 -3.481 1.00 0.00 C ATOM 1644 C LEU A 100 -9.409 -3.990 -2.481 1.00 0.00 C ATOM 1645 O LEU A 100 -8.650 -4.922 -2.214 1.00 0.00 O ATOM 1646 CB LEU A 100 -8.561 -1.650 -2.737 1.00 0.00 C ATOM 1647 CG LEU A 100 -7.336 -1.796 -1.834 1.00 0.00 C ATOM 1648 CD1 LEU A 100 -7.728 -2.418 -0.502 1.00 0.00 C ATOM 1649 CD2 LEU A 100 -6.265 -2.631 -2.519 1.00 0.00 C ATOM 0 H LEU A 100 -10.416 -1.636 -4.359 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.167 -3.287 -4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -8.355 -0.872 -3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.396 -1.300 -2.129 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.928 -0.803 -1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.844 -2.515 0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.461 -1.782 -0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.161 -3.404 -0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.401 -2.724 -1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.662 -3.622 -2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.964 -2.146 -3.448 1.00 0.00 H new ATOM 1661 N LEU A 101 -10.610 -3.856 -1.932 1.00 0.00 N ATOM 1662 CA LEU A 101 -11.120 -4.820 -0.961 1.00 0.00 C ATOM 1663 C LEU A 101 -11.105 -6.232 -1.538 1.00 0.00 C ATOM 1664 O LEU A 101 -10.653 -7.175 -0.888 1.00 0.00 O ATOM 1665 CB LEU A 101 -12.541 -4.444 -0.538 1.00 0.00 C ATOM 1666 CG LEU A 101 -12.661 -3.572 0.712 1.00 0.00 C ATOM 1667 CD1 LEU A 101 -14.116 -3.222 0.982 1.00 0.00 C ATOM 1668 CD2 LEU A 101 -12.048 -4.275 1.914 1.00 0.00 C ATOM 0 H LEU A 101 -11.250 -3.090 -2.142 1.00 0.00 H new ATOM 0 HA LEU A 101 -10.470 -4.798 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -13.019 -3.923 -1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -13.104 -5.362 -0.371 1.00 0.00 H new ATOM 0 HG LEU A 101 -12.112 -2.646 0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -14.181 -2.601 1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -14.523 -2.677 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -14.688 -4.137 1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -12.143 -3.639 2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -12.568 -5.217 2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -10.994 -4.473 1.721 1.00 0.00 H new ATOM 1680 N LYS A 102 -11.600 -6.371 -2.763 1.00 0.00 N ATOM 1681 CA LYS A 102 -11.641 -7.666 -3.430 1.00 0.00 C ATOM 1682 C LYS A 102 -10.234 -8.225 -3.622 1.00 0.00 C ATOM 1683 O LYS A 102 -9.936 -9.341 -3.195 1.00 0.00 O ATOM 1684 CB LYS A 102 -12.341 -7.544 -4.786 1.00 0.00 C ATOM 1685 CG LYS A 102 -13.840 -7.324 -4.677 1.00 0.00 C ATOM 1686 CD LYS A 102 -14.501 -7.301 -6.046 1.00 0.00 C ATOM 1687 CE LYS A 102 -14.196 -6.011 -6.792 1.00 0.00 C ATOM 1688 NZ LYS A 102 -14.894 -5.952 -8.106 1.00 0.00 N ATOM 0 H LYS A 102 -11.979 -5.601 -3.315 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.203 -8.353 -2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.900 -6.716 -5.340 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.156 -8.449 -5.364 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -14.282 -8.116 -4.072 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.034 -6.383 -4.162 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -14.155 -8.152 -6.632 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -15.580 -7.410 -5.932 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -14.497 -5.159 -6.182 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.120 -5.927 -6.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.661 -5.058 -8.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -14.588 -6.751 -8.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -15.922 -6.006 -7.956 1.00 0.00 H new ATOM 1702 N ASP A 103 -9.375 -7.441 -4.263 1.00 0.00 N ATOM 1703 CA ASP A 103 -7.998 -7.857 -4.509 1.00 0.00 C ATOM 1704 C ASP A 103 -7.314 -8.265 -3.207 1.00 0.00 C ATOM 1705 O ASP A 103 -6.659 -9.306 -3.138 1.00 0.00 O ATOM 1706 CB ASP A 103 -7.214 -6.728 -5.180 1.00 0.00 C ATOM 1707 CG ASP A 103 -7.330 -6.763 -6.691 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -8.394 -6.369 -7.215 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -6.357 -7.181 -7.352 1.00 0.00 O ATOM 0 H ASP A 103 -9.607 -6.515 -4.622 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.018 -8.720 -5.175 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.578 -5.768 -4.812 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.164 -6.800 -4.897 1.00 0.00 H new ATOM 1714 N LEU A 104 -7.467 -7.438 -2.180 1.00 0.00 N ATOM 1715 CA LEU A 104 -6.863 -7.712 -0.880 1.00 0.00 C ATOM 1716 C LEU A 104 -7.326 -9.060 -0.338 1.00 0.00 C ATOM 1717 O LEU A 104 -6.511 -9.898 0.048 1.00 0.00 O ATOM 1718 CB LEU A 104 -7.216 -6.601 0.112 1.00 0.00 C ATOM 1719 CG LEU A 104 -6.331 -6.508 1.356 1.00 0.00 C ATOM 1720 CD1 LEU A 104 -4.878 -6.297 0.962 1.00 0.00 C ATOM 1721 CD2 LEU A 104 -6.808 -5.385 2.265 1.00 0.00 C ATOM 0 H LEU A 104 -8.004 -6.572 -2.221 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.781 -7.746 -1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.174 -5.646 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.248 -6.743 0.434 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.404 -7.448 1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.263 -6.233 1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.542 -7.134 0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.786 -5.372 0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.167 -5.333 3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.764 -4.438 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.835 -5.579 2.575 1.00 0.00 H new ATOM 1733 N LYS A 105 -8.639 -9.263 -0.313 1.00 0.00 N ATOM 1734 CA LYS A 105 -9.212 -10.510 0.178 1.00 0.00 C ATOM 1735 C LYS A 105 -8.634 -11.707 -0.571 1.00 0.00 C ATOM 1736 O LYS A 105 -8.372 -12.753 0.021 1.00 0.00 O ATOM 1737 CB LYS A 105 -10.734 -10.490 0.032 1.00 0.00 C ATOM 1738 CG LYS A 105 -11.449 -9.814 1.189 1.00 0.00 C ATOM 1739 CD LYS A 105 -12.812 -9.289 0.773 1.00 0.00 C ATOM 1740 CE LYS A 105 -13.715 -9.068 1.978 1.00 0.00 C ATOM 1741 NZ LYS A 105 -15.003 -8.423 1.595 1.00 0.00 N ATOM 0 H LYS A 105 -9.327 -8.579 -0.628 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.957 -10.606 1.233 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.995 -9.978 -0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.095 -11.514 -0.058 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.566 -10.522 2.009 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.840 -8.991 1.563 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.692 -8.352 0.230 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.282 -9.996 0.089 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.917 -10.024 2.461 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.200 -8.445 2.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.590 -8.289 2.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.812 -7.499 1.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.507 -9.030 0.917 1.00 0.00 H new ATOM 1755 N GLU A 106 -8.437 -11.542 -1.875 1.00 0.00 N ATOM 1756 CA GLU A 106 -7.890 -12.610 -2.705 1.00 0.00 C ATOM 1757 C GLU A 106 -6.453 -12.929 -2.301 1.00 0.00 C ATOM 1758 O GLU A 106 -6.067 -14.095 -2.204 1.00 0.00 O ATOM 1759 CB GLU A 106 -7.941 -12.216 -4.182 1.00 0.00 C ATOM 1760 CG GLU A 106 -9.230 -12.623 -4.876 1.00 0.00 C ATOM 1761 CD GLU A 106 -10.459 -12.345 -4.032 1.00 0.00 C ATOM 1762 OE1 GLU A 106 -10.716 -13.121 -3.088 1.00 0.00 O ATOM 1763 OE2 GLU A 106 -11.163 -11.354 -4.316 1.00 0.00 O ATOM 0 H GLU A 106 -8.647 -10.681 -2.379 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.499 -13.501 -2.554 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -7.818 -11.136 -4.266 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.099 -12.674 -4.701 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -9.314 -12.087 -5.821 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -9.190 -13.686 -5.114 1.00 0.00 H new ATOM 1770 N THR A 107 -5.664 -11.885 -2.069 1.00 0.00 N ATOM 1771 CA THR A 107 -4.269 -12.052 -1.679 1.00 0.00 C ATOM 1772 C THR A 107 -4.154 -12.804 -0.357 1.00 0.00 C ATOM 1773 O THR A 107 -3.453 -13.810 -0.264 1.00 0.00 O ATOM 1774 CB THR A 107 -3.556 -10.694 -1.547 1.00 0.00 C ATOM 1775 OG1 THR A 107 -4.490 -9.629 -1.755 1.00 0.00 O ATOM 1776 CG2 THR A 107 -2.418 -10.582 -2.550 1.00 0.00 C ATOM 0 H THR A 107 -5.967 -10.914 -2.144 1.00 0.00 H new ATOM 0 HA THR A 107 -3.788 -12.631 -2.467 1.00 0.00 H new ATOM 0 HB THR A 107 -3.141 -10.621 -0.542 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.176 -9.654 -1.055 1.00 0.00 H new ATOM 0 HG21 THR A 107 -1.929 -9.614 -2.438 1.00 0.00 H new ATOM 0 HG22 THR A 107 -1.695 -11.377 -2.370 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.814 -10.674 -3.561 1.00 0.00 H new ATOM 1784 N GLU A 108 -4.850 -12.309 0.662 1.00 0.00 N ATOM 1785 CA GLU A 108 -4.825 -12.934 1.979 1.00 0.00 C ATOM 1786 C GLU A 108 -5.316 -14.377 1.905 1.00 0.00 C ATOM 1787 O GLU A 108 -4.740 -15.272 2.523 1.00 0.00 O ATOM 1788 CB GLU A 108 -5.686 -12.140 2.962 1.00 0.00 C ATOM 1789 CG GLU A 108 -7.128 -11.975 2.512 1.00 0.00 C ATOM 1790 CD GLU A 108 -7.931 -11.084 3.440 1.00 0.00 C ATOM 1791 OE1 GLU A 108 -7.579 -9.892 3.568 1.00 0.00 O ATOM 1792 OE2 GLU A 108 -8.910 -11.578 4.039 1.00 0.00 O ATOM 0 H GLU A 108 -5.438 -11.478 0.601 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.794 -12.937 2.332 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.671 -12.640 3.931 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -5.244 -11.154 3.105 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -7.145 -11.555 1.506 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -7.601 -12.955 2.456 1.00 0.00 H new ATOM 1799 N GLN A 109 -6.386 -14.593 1.145 1.00 0.00 N ATOM 1800 CA GLN A 109 -6.955 -15.927 0.991 1.00 0.00 C ATOM 1801 C GLN A 109 -5.920 -16.901 0.442 1.00 0.00 C ATOM 1802 O GLN A 109 -5.706 -17.978 1.001 1.00 0.00 O ATOM 1803 CB GLN A 109 -8.172 -15.881 0.065 1.00 0.00 C ATOM 1804 CG GLN A 109 -9.044 -17.123 0.144 1.00 0.00 C ATOM 1805 CD GLN A 109 -8.652 -18.177 -0.872 1.00 0.00 C ATOM 1806 OE1 GLN A 109 -8.926 -18.038 -2.064 1.00 0.00 O ATOM 1807 NE2 GLN A 109 -8.007 -19.239 -0.405 1.00 0.00 N ATOM 0 H GLN A 109 -6.875 -13.863 0.627 1.00 0.00 H new ATOM 0 HA GLN A 109 -7.268 -16.276 1.975 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.775 -15.008 0.314 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -7.832 -15.751 -0.962 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -8.976 -17.547 1.146 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -10.085 -16.842 -0.013 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -7.801 -19.313 0.591 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -7.718 -19.981 -1.042 1.00 0.00 H new ATOM 1816 N LYS A 110 -5.278 -16.519 -0.656 1.00 0.00 N ATOM 1817 CA LYS A 110 -4.263 -17.357 -1.283 1.00 0.00 C ATOM 1818 C LYS A 110 -3.135 -17.669 -0.305 1.00 0.00 C ATOM 1819 O LYS A 110 -2.733 -18.822 -0.152 1.00 0.00 O ATOM 1820 CB LYS A 110 -3.699 -16.668 -2.527 1.00 0.00 C ATOM 1821 CG LYS A 110 -4.663 -16.645 -3.700 1.00 0.00 C ATOM 1822 CD LYS A 110 -3.981 -16.172 -4.973 1.00 0.00 C ATOM 1823 CE LYS A 110 -4.960 -15.475 -5.905 1.00 0.00 C ATOM 1824 NZ LYS A 110 -5.026 -14.010 -5.644 1.00 0.00 N ATOM 0 H LYS A 110 -5.443 -15.632 -1.131 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.734 -18.295 -1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -3.426 -15.644 -2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.784 -17.176 -2.830 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -5.073 -17.643 -3.855 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -5.502 -15.988 -3.470 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.169 -15.490 -4.720 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.533 -17.024 -5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -4.662 -15.647 -6.939 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.951 -15.911 -5.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -5.753 -13.581 -6.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.269 -13.846 -4.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.103 -13.579 -5.851 1.00 0.00 H new ATOM 1838 N VAL A 111 -2.630 -16.633 0.358 1.00 0.00 N ATOM 1839 CA VAL A 111 -1.550 -16.796 1.323 1.00 0.00 C ATOM 1840 C VAL A 111 -1.923 -17.810 2.399 1.00 0.00 C ATOM 1841 O VAL A 111 -1.104 -18.638 2.799 1.00 0.00 O ATOM 1842 CB VAL A 111 -1.192 -15.458 1.997 1.00 0.00 C ATOM 1843 CG1 VAL A 111 -0.101 -15.659 3.038 1.00 0.00 C ATOM 1844 CG2 VAL A 111 -0.765 -14.435 0.955 1.00 0.00 C ATOM 0 H VAL A 111 -2.952 -15.672 0.244 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.684 -17.159 0.770 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.079 -15.078 2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.139 -14.703 3.503 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.449 -16.356 3.800 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.791 -16.062 2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.516 -13.496 1.448 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.108 -14.806 0.418 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.581 -14.270 0.251 1.00 0.00 H new ATOM 1854 N LYS A 112 -3.165 -17.740 2.865 1.00 0.00 N ATOM 1855 CA LYS A 112 -3.650 -18.652 3.893 1.00 0.00 C ATOM 1856 C LYS A 112 -3.851 -20.054 3.327 1.00 0.00 C ATOM 1857 O LYS A 112 -3.723 -21.047 4.042 1.00 0.00 O ATOM 1858 CB LYS A 112 -4.964 -18.136 4.484 1.00 0.00 C ATOM 1859 CG LYS A 112 -4.818 -16.824 5.236 1.00 0.00 C ATOM 1860 CD LYS A 112 -6.089 -15.994 5.160 1.00 0.00 C ATOM 1861 CE LYS A 112 -7.269 -16.724 5.783 1.00 0.00 C ATOM 1862 NZ LYS A 112 -8.066 -15.832 6.672 1.00 0.00 N ATOM 0 H LYS A 112 -3.855 -17.060 2.546 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.899 -18.702 4.681 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -5.688 -18.006 3.680 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -5.370 -18.889 5.159 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -4.576 -17.026 6.279 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -3.986 -16.256 4.820 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -5.936 -15.044 5.672 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.312 -15.762 4.118 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -7.910 -17.118 4.994 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.907 -17.578 6.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.861 -16.366 7.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.461 -15.476 7.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.433 -15.030 6.120 1.00 0.00 H new ATOM 1876 N ASP A 113 -4.166 -20.126 2.038 1.00 0.00 N ATOM 1877 CA ASP A 113 -4.383 -21.407 1.374 1.00 0.00 C ATOM 1878 C ASP A 113 -3.082 -22.199 1.283 1.00 0.00 C ATOM 1879 O ASP A 113 -3.050 -23.393 1.581 1.00 0.00 O ATOM 1880 CB ASP A 113 -4.960 -21.189 -0.025 1.00 0.00 C ATOM 1881 CG ASP A 113 -5.149 -22.488 -0.782 1.00 0.00 C ATOM 1882 OD1 ASP A 113 -5.569 -23.483 -0.156 1.00 0.00 O ATOM 1883 OD2 ASP A 113 -4.877 -22.511 -2.001 1.00 0.00 O ATOM 0 H ASP A 113 -4.277 -19.313 1.432 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.096 -21.980 1.967 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -5.919 -20.677 0.056 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.296 -20.535 -0.591 1.00 0.00 H new ATOM 1888 N ILE A 114 -2.013 -21.526 0.870 1.00 0.00 N ATOM 1889 CA ILE A 114 -0.711 -22.168 0.741 1.00 0.00 C ATOM 1890 C ILE A 114 -0.273 -22.793 2.060 1.00 0.00 C ATOM 1891 O ILE A 114 -0.280 -22.137 3.101 1.00 0.00 O ATOM 1892 CB ILE A 114 0.366 -21.168 0.277 1.00 0.00 C ATOM 1893 CG1 ILE A 114 0.272 -20.948 -1.234 1.00 0.00 C ATOM 1894 CG2 ILE A 114 1.751 -21.665 0.661 1.00 0.00 C ATOM 1895 CD1 ILE A 114 -0.385 -19.640 -1.615 1.00 0.00 C ATOM 0 H ILE A 114 -2.023 -20.537 0.619 1.00 0.00 H new ATOM 0 HA ILE A 114 -0.818 -22.950 -0.011 1.00 0.00 H new ATOM 0 HB ILE A 114 0.193 -20.214 0.775 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.275 -20.979 -1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -0.289 -21.770 -1.678 1.00 0.00 H new ATOM 0 HG21 ILE A 114 2.501 -20.948 0.326 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.811 -21.774 1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.935 -22.630 0.188 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.417 -19.552 -2.701 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.400 -19.614 -1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.188 -18.811 -1.200 1.00 0.00 H new ATOM 1907 N GLN A 115 0.110 -24.065 2.008 1.00 0.00 N ATOM 1908 CA GLN A 115 0.553 -24.780 3.199 1.00 0.00 C ATOM 1909 C GLN A 115 2.059 -24.641 3.388 1.00 0.00 C ATOM 1910 O GLN A 115 2.831 -24.784 2.438 1.00 0.00 O ATOM 1911 CB GLN A 115 0.173 -26.258 3.103 1.00 0.00 C ATOM 1912 CG GLN A 115 0.666 -26.933 1.834 1.00 0.00 C ATOM 1913 CD GLN A 115 -0.451 -27.601 1.056 1.00 0.00 C ATOM 1914 OE1 GLN A 115 -1.201 -28.413 1.598 1.00 0.00 O ATOM 1915 NE2 GLN A 115 -0.568 -27.260 -0.222 1.00 0.00 N ATOM 0 H GLN A 115 0.122 -24.622 1.153 1.00 0.00 H new ATOM 0 HA GLN A 115 0.055 -24.340 4.063 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.579 -26.785 3.966 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.912 -26.349 3.155 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.153 -26.193 1.199 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.419 -27.677 2.092 1.00 0.00 H new ATOM 0 HE21 GLN A 115 0.076 -26.582 -0.630 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -1.302 -27.676 -0.796 1.00 0.00 H new ATOM 1924 N THR A 116 2.474 -24.362 4.620 1.00 0.00 N ATOM 1925 CA THR A 116 3.888 -24.203 4.933 1.00 0.00 C ATOM 1926 C THR A 116 4.196 -24.684 6.347 1.00 0.00 C ATOM 1927 O THR A 116 3.289 -25.023 7.108 1.00 0.00 O ATOM 1928 CB THR A 116 4.333 -22.734 4.794 1.00 0.00 C ATOM 1929 OG1 THR A 116 3.516 -21.896 5.619 1.00 0.00 O ATOM 1930 CG2 THR A 116 4.241 -22.276 3.347 1.00 0.00 C ATOM 0 H THR A 116 1.850 -24.242 5.418 1.00 0.00 H new ATOM 0 HA THR A 116 4.440 -24.811 4.217 1.00 0.00 H new ATOM 0 HB THR A 116 5.372 -22.659 5.116 1.00 0.00 H new ATOM 0 HG1 THR A 116 3.446 -21.006 5.214 1.00 0.00 H new ATOM 0 HG21 THR A 116 4.560 -21.236 3.273 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.886 -22.898 2.727 1.00 0.00 H new ATOM 0 HG23 THR A 116 3.211 -22.365 3.002 1.00 0.00 H new ATOM 1938 N GLN A 117 5.479 -24.710 6.692 1.00 0.00 N ATOM 1939 CA GLN A 117 5.905 -25.150 8.015 1.00 0.00 C ATOM 1940 C GLN A 117 6.410 -23.972 8.844 1.00 0.00 C ATOM 1941 O GLN A 117 7.375 -24.099 9.598 1.00 0.00 O ATOM 1942 CB GLN A 117 6.999 -26.212 7.896 1.00 0.00 C ATOM 1943 CG GLN A 117 6.491 -27.554 7.395 1.00 0.00 C ATOM 1944 CD GLN A 117 5.833 -28.373 8.487 1.00 0.00 C ATOM 1945 OE1 GLN A 117 4.997 -27.870 9.238 1.00 0.00 O ATOM 1946 NE2 GLN A 117 6.206 -29.645 8.581 1.00 0.00 N ATOM 0 H GLN A 117 6.241 -24.432 6.074 1.00 0.00 H new ATOM 0 HA GLN A 117 5.042 -25.584 8.521 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.773 -25.850 7.219 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.467 -26.351 8.871 1.00 0.00 H new ATOM 0 HG2 GLN A 117 5.776 -27.390 6.589 1.00 0.00 H new ATOM 0 HG3 GLN A 117 7.323 -28.119 6.974 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.902 -30.021 7.938 1.00 0.00 H new ATOM 0 HE22 GLN A 117 5.796 -30.245 9.296 1.00 0.00 H new TER 1955 GLN A 117