USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 849 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 90 LYS NZ :NH3+ 169:sc= 2.15 (180deg=1.23) USER MOD Set 1.2: A 91 ASN :FLIP amide:sc= 0.719 F(o=-1.1,f=2) USER MOD Set 1.3: A 94 ASN :FLIP amide:sc= -0.876 F(o=-1.1,f=2) USER MOD Set 2.1: A 81 GLN : amide:sc= -1.34 K(o=-1.6,f=-4.7!) USER MOD Set 2.2: A 82 SER OG : rot 160:sc= -0.245 USER MOD Set 3.1: A 34 ASN : amide:sc=-0.00808 K(o=-0.81,f=-2) USER MOD Set 3.2: A 35 GLN : amide:sc= -0.799 K(o=-0.81,f=-3.1!) USER MOD Set 4.1: A 24 GLN : amide:sc= 0.109 K(o=0.54,f=-1.5) USER MOD Set 4.2: A 29 SER OG : rot 156:sc= 0.433 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -138:sc= -2.82 (180deg=-4.48!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -3.07 K(o=-3.1,f=-3.6!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.0627 K(o=-0.063,f=-1.9!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -4.3! C(o=-4.3!,f=-4!) USER MOD Single : A 19 GLN : amide:sc= -6.94! C(o=-6.9!,f=-8.5!) USER MOD Single : A 20 GLN : amide:sc= -0.0561 K(o=-0.056,f=-0.95) USER MOD Single : A 25 GLN :FLIP amide:sc= -1.59 F(o=-2.7,f=-1.6) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.89! C(o=-1.9!,f=-2.8!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -1.57 K(o=-1.6,f=-2.9!) USER MOD Single : A 50 ASN : amide:sc= -0.115 X(o=-0.12,f=-0.01) USER MOD Single : A 53 TYR OH : rot -178:sc= -0.175 USER MOD Single : A 54 GLN : amide:sc= -0.934 K(o=-0.93,f=-4.2!) USER MOD Single : A 57 GLN : amide:sc= -3.36! X(o=-3.4!,f=-3.6) USER MOD Single : A 63 THR OG1 : rot -130:sc= 0.00433 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.297 F(o=-3,f=-0.3) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc=-0.00538 USER MOD Single : A 74 GLN : amide:sc= -0.0171 X(o=-0.017,f=-0.32) USER MOD Single : A 76 GLN : amide:sc= -0.0221 K(o=-0.022,f=-0.75) USER MOD Single : A 77 HIS :FLIP no HD1:sc= -1.97 F(o=-3.3,f=-2) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot -82:sc= -0.478 USER MOD Single : A 87 GLN : amide:sc=-0.00205 K(o=-0.002,f=-3.7!) USER MOD Single : A 97 ASN : amide:sc= -0.348 X(o=-0.35,f=-0.0059) USER MOD Single : A 98 MET CE :methyl -131:sc= -3.63 (180deg=-9.83!) USER MOD Single : A 99 LYS NZ :NH3+ -146:sc= -0.12 (180deg=-0.292) USER MOD Single : A 100 GLN : amide:sc= -0.982 X(o=-0.98,f=-1) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.0113 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -6.886 -15.682 -1.304 1.00 0.00 N ATOM 2 CA GLN A 1 -7.719 -15.241 -0.164 1.00 0.00 C ATOM 3 C GLN A 1 -7.278 -15.955 1.113 1.00 0.00 C ATOM 4 O GLN A 1 -8.018 -16.755 1.659 1.00 0.00 O ATOM 5 CB GLN A 1 -9.197 -15.464 -0.508 1.00 0.00 C ATOM 6 CG GLN A 1 -9.751 -14.260 -1.280 1.00 0.00 C ATOM 7 CD GLN A 1 -11.075 -13.819 -0.680 1.00 0.00 C ATOM 8 OE1 GLN A 1 -12.071 -14.504 -0.736 1.00 0.00 O ATOM 9 NE2 GLN A 1 -11.083 -12.675 -0.035 1.00 0.00 N ATOM 0 H1 GLN A 1 -6.638 -14.860 -1.891 1.00 0.00 H new ATOM 0 H2 GLN A 1 -6.017 -16.127 -0.947 1.00 0.00 H new ATOM 0 H3 GLN A 1 -7.417 -16.369 -1.876 1.00 0.00 H new ATOM 0 HA GLN A 1 -7.588 -14.175 0.022 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -9.306 -16.369 -1.105 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -9.772 -15.614 0.406 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -9.036 -13.438 -1.248 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -9.888 -14.523 -2.329 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -10.237 -12.106 0.005 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -11.935 -12.355 0.426 1.00 0.00 H new ATOM 20 N PRO A 2 -6.034 -15.742 1.563 1.00 0.00 N ATOM 21 CA PRO A 2 -5.536 -16.371 2.783 1.00 0.00 C ATOM 22 C PRO A 2 -6.158 -15.764 4.027 1.00 0.00 C ATOM 23 O PRO A 2 -6.971 -14.864 3.924 1.00 0.00 O ATOM 24 CB PRO A 2 -4.021 -16.176 2.740 1.00 0.00 C ATOM 25 CG PRO A 2 -3.773 -15.021 1.766 1.00 0.00 C ATOM 26 CD PRO A 2 -5.059 -14.824 1.020 1.00 0.00 C ATOM 0 HA PRO A 2 -5.801 -17.427 2.831 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -3.629 -15.943 3.730 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -3.520 -17.084 2.405 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -3.489 -14.114 2.300 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -2.958 -15.256 1.082 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -5.405 -13.796 1.122 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -4.914 -15.007 -0.045 1.00 0.00 H new ATOM 34 N GLN A 3 -5.727 -16.198 5.203 1.00 0.00 N ATOM 35 CA GLN A 3 -6.200 -15.646 6.468 1.00 0.00 C ATOM 36 C GLN A 3 -5.046 -15.449 7.435 1.00 0.00 C ATOM 37 O GLN A 3 -4.991 -14.458 8.152 1.00 0.00 O ATOM 38 CB GLN A 3 -7.215 -16.615 7.073 1.00 0.00 C ATOM 39 CG GLN A 3 -8.305 -15.830 7.804 1.00 0.00 C ATOM 40 CD GLN A 3 -9.349 -16.772 8.367 1.00 0.00 C ATOM 41 OE1 GLN A 3 -10.373 -17.039 7.774 1.00 0.00 O ATOM 42 NE2 GLN A 3 -9.095 -17.329 9.530 1.00 0.00 N ATOM 0 H GLN A 3 -5.039 -16.943 5.309 1.00 0.00 H new ATOM 0 HA GLN A 3 -6.662 -14.676 6.286 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.659 -17.228 6.289 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.716 -17.294 7.765 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -7.862 -15.245 8.610 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -8.775 -15.124 7.119 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -8.233 -17.103 10.026 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -9.760 -17.988 9.936 1.00 0.00 H new ATOM 51 N LYS A 4 -4.093 -16.388 7.428 1.00 0.00 N ATOM 52 CA LYS A 4 -2.925 -16.307 8.286 1.00 0.00 C ATOM 53 C LYS A 4 -2.076 -15.145 7.897 1.00 0.00 C ATOM 54 O LYS A 4 -2.009 -14.271 8.730 1.00 0.00 O ATOM 55 CB LYS A 4 -2.105 -17.587 8.262 1.00 0.00 C ATOM 56 CG LYS A 4 -1.700 -17.986 9.689 1.00 0.00 C ATOM 57 CD LYS A 4 -0.182 -18.088 9.803 1.00 0.00 C ATOM 58 CE LYS A 4 0.209 -18.814 11.087 1.00 0.00 C ATOM 59 NZ LYS A 4 1.532 -19.459 10.914 1.00 0.00 N ATOM 0 H LYS A 4 -4.117 -17.214 6.831 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.283 -16.168 9.306 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.683 -18.389 7.803 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.214 -17.445 7.650 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.076 -17.250 10.400 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.155 -18.941 9.949 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.219 -18.621 8.940 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.257 -17.090 9.794 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.243 -18.110 11.918 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.542 -19.564 11.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.795 -19.953 11.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.485 -20.143 10.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.246 -18.734 10.697 1.00 0.00 H new ATOM 73 N CYS A 5 -1.596 -15.078 6.649 1.00 0.00 N ATOM 74 CA CYS A 5 -0.811 -13.946 6.152 1.00 0.00 C ATOM 75 C CYS A 5 -1.487 -12.629 6.493 1.00 0.00 C ATOM 76 O CYS A 5 -0.850 -11.705 6.935 1.00 0.00 O ATOM 77 CB CYS A 5 -0.653 -14.028 4.642 1.00 0.00 C ATOM 78 SG CYS A 5 0.993 -14.552 4.086 1.00 0.00 S ATOM 0 H CYS A 5 -1.743 -15.811 5.955 1.00 0.00 H new ATOM 0 HA CYS A 5 0.167 -13.991 6.631 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.394 -14.724 4.249 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.874 -13.051 4.212 1.00 0.00 H new ATOM 83 N GLN A 6 -2.811 -12.556 6.417 1.00 0.00 N ATOM 84 CA GLN A 6 -3.562 -11.387 6.880 1.00 0.00 C ATOM 85 C GLN A 6 -3.329 -11.030 8.342 1.00 0.00 C ATOM 86 O GLN A 6 -2.945 -9.906 8.675 1.00 0.00 O ATOM 87 CB GLN A 6 -5.053 -11.566 6.634 1.00 0.00 C ATOM 88 CG GLN A 6 -5.333 -11.944 5.182 1.00 0.00 C ATOM 89 CD GLN A 6 -6.761 -11.615 4.770 1.00 0.00 C ATOM 90 OE1 GLN A 6 -7.426 -10.733 5.273 1.00 0.00 O ATOM 91 NE2 GLN A 6 -7.258 -12.251 3.740 1.00 0.00 N ATOM 0 H GLN A 6 -3.395 -13.300 6.035 1.00 0.00 H new ATOM 0 HA GLN A 6 -3.178 -10.554 6.291 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -5.443 -12.340 7.295 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -5.578 -10.643 6.880 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -4.637 -11.416 4.530 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -5.153 -13.010 5.044 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -6.724 -12.997 3.295 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.180 -12.000 3.382 1.00 0.00 H new ATOM 100 N ARG A 7 -3.540 -12.004 9.226 1.00 0.00 N ATOM 101 CA ARG A 7 -3.193 -11.910 10.638 1.00 0.00 C ATOM 102 C ARG A 7 -1.716 -12.070 10.927 1.00 0.00 C ATOM 103 O ARG A 7 -1.408 -12.125 12.099 1.00 0.00 O ATOM 104 CB ARG A 7 -3.985 -12.964 11.428 1.00 0.00 C ATOM 105 CG ARG A 7 -5.217 -12.321 12.060 1.00 0.00 C ATOM 106 CD ARG A 7 -5.334 -12.692 13.549 1.00 0.00 C ATOM 107 NE ARG A 7 -4.822 -11.610 14.414 1.00 0.00 N ATOM 108 CZ ARG A 7 -5.409 -10.444 14.605 1.00 0.00 C ATOM 109 NH1 ARG A 7 -6.540 -10.154 14.024 1.00 0.00 N ATOM 110 NH2 ARG A 7 -4.869 -9.533 15.362 1.00 0.00 N ATOM 0 H ARG A 7 -3.965 -12.896 8.973 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.456 -10.899 10.950 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.287 -13.776 10.767 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.354 -13.401 12.202 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -5.159 -11.238 11.956 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -6.113 -12.645 11.530 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -6.377 -12.894 13.795 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.777 -13.609 13.742 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.943 -11.778 14.904 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.987 -10.834 13.409 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.978 -9.247 14.185 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.976 -9.714 15.820 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.339 -8.638 15.497 1.00 0.00 H new ATOM 124 N GLU A 8 -0.844 -12.131 9.933 1.00 0.00 N ATOM 125 CA GLU A 8 0.606 -12.296 10.060 1.00 0.00 C ATOM 126 C GLU A 8 1.343 -11.066 9.554 1.00 0.00 C ATOM 127 O GLU A 8 2.368 -10.681 10.101 1.00 0.00 O ATOM 128 CB GLU A 8 1.105 -13.550 9.331 1.00 0.00 C ATOM 129 CG GLU A 8 1.639 -14.568 10.339 1.00 0.00 C ATOM 130 CD GLU A 8 2.800 -15.385 9.772 1.00 0.00 C ATOM 131 OE1 GLU A 8 2.592 -15.959 8.679 1.00 0.00 O ATOM 132 OE2 GLU A 8 3.740 -15.666 10.542 1.00 0.00 O ATOM 0 H GLU A 8 -1.140 -12.063 8.959 1.00 0.00 H new ATOM 0 HA GLU A 8 0.819 -12.419 11.122 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.293 -13.991 8.753 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.890 -13.281 8.624 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.968 -14.048 11.239 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.834 -15.240 10.635 1.00 0.00 H new ATOM 139 N PHE A 9 0.717 -10.351 8.627 1.00 0.00 N ATOM 140 CA PHE A 9 1.247 -9.145 8.030 1.00 0.00 C ATOM 141 C PHE A 9 0.998 -8.010 8.999 1.00 0.00 C ATOM 142 O PHE A 9 1.818 -7.140 9.211 1.00 0.00 O ATOM 143 CB PHE A 9 0.491 -8.895 6.723 1.00 0.00 C ATOM 144 CG PHE A 9 0.208 -7.443 6.371 1.00 0.00 C ATOM 145 CD1 PHE A 9 -0.803 -6.711 7.033 1.00 0.00 C ATOM 146 CD2 PHE A 9 0.924 -6.834 5.344 1.00 0.00 C ATOM 147 CE1 PHE A 9 -0.979 -5.340 6.821 1.00 0.00 C ATOM 148 CE2 PHE A 9 0.615 -5.499 5.010 1.00 0.00 C ATOM 149 CZ PHE A 9 -0.250 -4.740 5.801 1.00 0.00 C ATOM 0 H PHE A 9 -0.201 -10.608 8.263 1.00 0.00 H new ATOM 0 HA PHE A 9 2.314 -9.228 7.823 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.063 -9.339 5.908 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.460 -9.426 6.772 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.458 -7.224 7.722 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.698 -7.371 4.816 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.660 -4.765 7.431 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.054 -5.057 4.128 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.353 -3.680 5.619 1.00 0.00 H new ATOM 159 N GLN A 10 -0.183 -7.964 9.622 1.00 0.00 N ATOM 160 CA GLN A 10 -0.523 -6.875 10.530 1.00 0.00 C ATOM 161 C GLN A 10 -0.187 -7.313 11.950 1.00 0.00 C ATOM 162 O GLN A 10 -0.238 -6.495 12.862 1.00 0.00 O ATOM 163 CB GLN A 10 -1.994 -6.473 10.369 1.00 0.00 C ATOM 164 CG GLN A 10 -2.490 -5.660 11.567 1.00 0.00 C ATOM 165 CD GLN A 10 -3.788 -4.955 11.303 1.00 0.00 C ATOM 166 OE1 GLN A 10 -3.840 -3.923 10.667 1.00 0.00 O ATOM 167 NE2 GLN A 10 -4.871 -5.501 11.797 1.00 0.00 N ATOM 0 H GLN A 10 -0.914 -8.667 9.512 1.00 0.00 H new ATOM 0 HA GLN A 10 0.060 -5.985 10.294 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.114 -5.888 9.457 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.606 -7.368 10.257 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.611 -6.323 12.423 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.733 -4.925 11.838 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.807 -6.369 12.329 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.778 -5.058 11.650 1.00 0.00 H new ATOM 176 N GLN A 11 0.143 -8.586 12.151 1.00 0.00 N ATOM 177 CA GLN A 11 0.482 -9.080 13.460 1.00 0.00 C ATOM 178 C GLN A 11 1.568 -8.210 14.047 1.00 0.00 C ATOM 179 O GLN A 11 1.252 -7.378 14.894 1.00 0.00 O ATOM 180 CB GLN A 11 0.888 -10.545 13.372 1.00 0.00 C ATOM 181 CG GLN A 11 0.248 -11.322 14.527 1.00 0.00 C ATOM 182 CD GLN A 11 1.272 -11.936 15.448 1.00 0.00 C ATOM 183 OE1 GLN A 11 2.283 -11.367 15.775 1.00 0.00 O ATOM 184 NE2 GLN A 11 1.023 -13.140 15.894 1.00 0.00 N ATOM 0 H GLN A 11 0.180 -9.289 11.413 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.380 -9.031 14.125 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.571 -10.965 12.417 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.973 -10.636 13.415 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.395 -10.653 15.099 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.390 -12.108 14.122 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.167 -13.620 15.616 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.685 -13.599 16.520 1.00 0.00 H new ATOM 193 N GLU A 12 2.764 -8.271 13.458 1.00 0.00 N ATOM 194 CA GLU A 12 3.959 -7.574 13.927 1.00 0.00 C ATOM 195 C GLU A 12 4.997 -7.432 12.803 1.00 0.00 C ATOM 196 O GLU A 12 6.207 -7.434 13.020 1.00 0.00 O ATOM 197 CB GLU A 12 4.553 -8.284 15.152 1.00 0.00 C ATOM 198 CG GLU A 12 3.606 -8.245 16.352 1.00 0.00 C ATOM 199 CD GLU A 12 4.298 -8.547 17.669 1.00 0.00 C ATOM 200 OE1 GLU A 12 4.833 -7.567 18.235 1.00 0.00 O ATOM 201 OE2 GLU A 12 4.251 -9.707 18.129 1.00 0.00 O ATOM 0 H GLU A 12 2.931 -8.824 12.617 1.00 0.00 H new ATOM 0 HA GLU A 12 3.669 -6.568 14.230 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.774 -9.321 14.898 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.499 -7.813 15.421 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.143 -7.260 16.410 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.803 -8.966 16.197 1.00 0.00 H new ATOM 208 N GLN A 13 4.518 -7.296 11.564 1.00 0.00 N ATOM 209 CA GLN A 13 5.383 -7.179 10.400 1.00 0.00 C ATOM 210 C GLN A 13 4.645 -6.498 9.261 1.00 0.00 C ATOM 211 O GLN A 13 4.496 -7.017 8.173 1.00 0.00 O ATOM 212 CB GLN A 13 5.938 -8.565 10.010 1.00 0.00 C ATOM 213 CG GLN A 13 7.434 -8.441 9.738 1.00 0.00 C ATOM 214 CD GLN A 13 8.052 -9.797 9.455 1.00 0.00 C ATOM 215 OE1 GLN A 13 8.087 -10.309 8.356 1.00 0.00 O ATOM 216 NE2 GLN A 13 8.668 -10.381 10.456 1.00 0.00 N ATOM 0 H GLN A 13 3.522 -7.265 11.346 1.00 0.00 H new ATOM 0 HA GLN A 13 6.239 -6.549 10.641 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.759 -9.282 10.812 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.424 -8.941 9.125 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.599 -7.778 8.888 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.926 -7.986 10.597 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.645 -9.959 11.385 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.169 -11.256 10.305 1.00 0.00 H new ATOM 225 N HIS A 14 4.080 -5.321 9.546 1.00 0.00 N ATOM 226 CA HIS A 14 3.310 -4.569 8.559 1.00 0.00 C ATOM 227 C HIS A 14 4.285 -4.100 7.476 1.00 0.00 C ATOM 228 O HIS A 14 5.431 -4.529 7.362 1.00 0.00 O ATOM 229 CB HIS A 14 2.575 -3.391 9.214 1.00 0.00 C ATOM 230 CG HIS A 14 2.025 -3.598 10.605 1.00 0.00 C ATOM 231 ND1 HIS A 14 1.581 -2.582 11.425 1.00 0.00 N ATOM 232 CD2 HIS A 14 1.910 -4.772 11.294 1.00 0.00 C ATOM 233 CE1 HIS A 14 1.197 -3.136 12.591 1.00 0.00 C ATOM 234 NE2 HIS A 14 1.413 -4.466 12.543 1.00 0.00 N ATOM 0 H HIS A 14 4.144 -4.869 10.458 1.00 0.00 H new ATOM 0 HA HIS A 14 2.539 -5.198 8.114 1.00 0.00 H new ATOM 0 HB2 HIS A 14 3.260 -2.543 9.246 1.00 0.00 H new ATOM 0 HB3 HIS A 14 1.747 -3.108 8.564 1.00 0.00 H new ATOM 0 HD2 HIS A 14 2.162 -5.757 10.928 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.782 -2.600 13.431 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.239 -5.129 13.298 1.00 0.00 H new ATOM 243 N LEU A 15 3.874 -3.099 6.718 1.00 0.00 N ATOM 244 CA LEU A 15 4.664 -2.642 5.595 1.00 0.00 C ATOM 245 C LEU A 15 5.179 -1.254 5.917 1.00 0.00 C ATOM 246 O LEU A 15 4.721 -0.595 6.860 1.00 0.00 O ATOM 247 CB LEU A 15 3.816 -2.715 4.328 1.00 0.00 C ATOM 248 CG LEU A 15 3.658 -4.121 3.706 1.00 0.00 C ATOM 249 CD1 LEU A 15 4.765 -4.466 2.722 1.00 0.00 C ATOM 250 CD2 LEU A 15 3.604 -5.254 4.715 1.00 0.00 C ATOM 0 H LEU A 15 3.001 -2.591 6.861 1.00 0.00 H new ATOM 0 HA LEU A 15 5.534 -3.273 5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.824 -2.325 4.554 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.256 -2.055 3.580 1.00 0.00 H new ATOM 0 HG LEU A 15 2.697 -4.044 3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.597 -5.465 2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.765 -3.743 1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.728 -4.438 3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.492 -6.203 4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.526 -5.267 5.297 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.755 -5.106 5.383 1.00 0.00 H new ATOM 262 N ARG A 16 6.120 -0.786 5.111 1.00 0.00 N ATOM 263 CA ARG A 16 6.735 0.516 5.299 1.00 0.00 C ATOM 264 C ARG A 16 6.719 1.265 4.021 1.00 0.00 C ATOM 265 O ARG A 16 5.748 1.983 3.845 1.00 0.00 O ATOM 266 CB ARG A 16 8.158 0.381 5.790 1.00 0.00 C ATOM 267 CG ARG A 16 8.207 -0.119 7.229 1.00 0.00 C ATOM 268 CD ARG A 16 8.809 0.949 8.144 1.00 0.00 C ATOM 269 NE ARG A 16 9.774 0.359 9.075 1.00 0.00 N ATOM 270 CZ ARG A 16 10.699 1.014 9.742 1.00 0.00 C ATOM 271 NH1 ARG A 16 10.816 2.307 9.641 1.00 0.00 N ATOM 272 NH2 ARG A 16 11.512 0.372 10.531 1.00 0.00 N ATOM 0 H ARG A 16 6.478 -1.301 4.307 1.00 0.00 H new ATOM 0 HA ARG A 16 6.163 1.058 6.052 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.703 -0.309 5.145 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.661 1.346 5.722 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.202 -0.372 7.567 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.801 -1.031 7.284 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.300 1.714 7.542 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.015 1.444 8.703 1.00 0.00 H new ATOM 0 HE ARG A 16 9.724 -0.650 9.219 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.183 2.831 9.036 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.540 2.796 10.167 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.432 -0.640 10.632 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.229 0.881 11.048 1.00 0.00 H new ATOM 286 N ALA A 17 7.720 1.117 3.159 1.00 0.00 N ATOM 287 CA ALA A 17 7.723 1.690 1.836 1.00 0.00 C ATOM 288 C ALA A 17 6.350 1.641 1.168 1.00 0.00 C ATOM 289 O ALA A 17 6.032 2.557 0.437 1.00 0.00 O ATOM 290 CB ALA A 17 8.803 1.037 0.976 1.00 0.00 C ATOM 0 H ALA A 17 8.563 0.584 3.373 1.00 0.00 H new ATOM 0 HA ALA A 17 7.962 2.749 1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.793 1.480 -0.020 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.779 1.197 1.434 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.609 -0.033 0.899 1.00 0.00 H new ATOM 296 N CYS A 18 5.494 0.660 1.462 1.00 0.00 N ATOM 297 CA CYS A 18 4.121 0.584 0.991 1.00 0.00 C ATOM 298 C CYS A 18 3.222 1.583 1.719 1.00 0.00 C ATOM 299 O CYS A 18 2.641 2.486 1.131 1.00 0.00 O ATOM 300 CB CYS A 18 3.588 -0.818 1.147 1.00 0.00 C ATOM 301 SG CYS A 18 4.665 -2.064 0.405 1.00 0.00 S ATOM 0 H CYS A 18 5.753 -0.128 2.056 1.00 0.00 H new ATOM 0 HA CYS A 18 4.118 0.846 -0.067 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.462 -1.038 2.207 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.601 -0.879 0.690 1.00 0.00 H new ATOM 306 N GLN A 19 3.164 1.523 3.043 1.00 0.00 N ATOM 307 CA GLN A 19 2.479 2.522 3.853 1.00 0.00 C ATOM 308 C GLN A 19 3.316 3.762 4.116 1.00 0.00 C ATOM 309 O GLN A 19 3.215 4.325 5.198 1.00 0.00 O ATOM 310 CB GLN A 19 2.093 1.851 5.174 1.00 0.00 C ATOM 311 CG GLN A 19 0.754 1.193 4.978 1.00 0.00 C ATOM 312 CD GLN A 19 -0.362 1.909 5.748 1.00 0.00 C ATOM 313 OE1 GLN A 19 -1.263 1.359 6.345 1.00 0.00 O ATOM 314 NE2 GLN A 19 -0.319 3.207 5.816 1.00 0.00 N ATOM 0 H GLN A 19 3.593 0.776 3.588 1.00 0.00 H new ATOM 0 HA GLN A 19 1.603 2.872 3.306 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.843 1.114 5.462 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.044 2.587 5.977 1.00 0.00 H new ATOM 0 HG2 GLN A 19 0.510 1.180 3.916 1.00 0.00 H new ATOM 0 HG3 GLN A 19 0.810 0.155 5.305 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.419 3.719 5.332 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -1.023 3.713 6.353 1.00 0.00 H new ATOM 323 N GLN A 20 4.148 4.209 3.182 1.00 0.00 N ATOM 324 CA GLN A 20 5.003 5.380 3.369 1.00 0.00 C ATOM 325 C GLN A 20 5.132 6.124 2.057 1.00 0.00 C ATOM 326 O GLN A 20 5.092 7.347 2.040 1.00 0.00 O ATOM 327 CB GLN A 20 6.393 4.992 3.849 1.00 0.00 C ATOM 328 CG GLN A 20 6.429 4.334 5.230 1.00 0.00 C ATOM 329 CD GLN A 20 6.961 5.151 6.361 1.00 0.00 C ATOM 330 OE1 GLN A 20 7.319 6.305 6.276 1.00 0.00 O ATOM 331 NE2 GLN A 20 7.079 4.498 7.492 1.00 0.00 N ATOM 0 H GLN A 20 4.250 3.768 2.268 1.00 0.00 H new ATOM 0 HA GLN A 20 4.540 6.011 4.128 1.00 0.00 H new ATOM 0 HB2 GLN A 20 6.836 4.309 3.124 1.00 0.00 H new ATOM 0 HB3 GLN A 20 7.018 5.885 3.870 1.00 0.00 H new ATOM 0 HG2 GLN A 20 5.415 4.025 5.484 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.029 3.427 5.157 1.00 0.00 H new ATOM 0 HE21 GLN A 20 6.775 3.526 7.554 1.00 0.00 H new ATOM 0 HE22 GLN A 20 7.475 4.962 8.310 1.00 0.00 H new ATOM 340 N TRP A 21 5.178 5.406 0.931 1.00 0.00 N ATOM 341 CA TRP A 21 5.218 6.044 -0.380 1.00 0.00 C ATOM 342 C TRP A 21 3.960 6.874 -0.605 1.00 0.00 C ATOM 343 O TRP A 21 3.996 7.936 -1.211 1.00 0.00 O ATOM 344 CB TRP A 21 5.368 4.989 -1.473 1.00 0.00 C ATOM 345 CG TRP A 21 4.159 4.246 -1.915 1.00 0.00 C ATOM 346 CD1 TRP A 21 3.704 3.071 -1.464 1.00 0.00 C ATOM 347 CD2 TRP A 21 3.182 4.670 -2.879 1.00 0.00 C ATOM 348 NE1 TRP A 21 2.539 2.707 -2.083 1.00 0.00 N ATOM 349 CE2 TRP A 21 2.175 3.668 -2.985 1.00 0.00 C ATOM 350 CE3 TRP A 21 3.045 5.848 -3.627 1.00 0.00 C ATOM 351 CZ2 TRP A 21 1.053 3.848 -3.785 1.00 0.00 C ATOM 352 CZ3 TRP A 21 1.917 6.039 -4.428 1.00 0.00 C ATOM 353 CH2 TRP A 21 0.956 5.021 -4.523 1.00 0.00 C ATOM 0 H TRP A 21 5.188 4.386 0.905 1.00 0.00 H new ATOM 0 HA TRP A 21 6.080 6.711 -0.420 1.00 0.00 H new ATOM 0 HB2 TRP A 21 5.795 5.478 -2.349 1.00 0.00 H new ATOM 0 HB3 TRP A 21 6.099 4.257 -1.129 1.00 0.00 H new ATOM 0 HD1 TRP A 21 4.196 2.482 -0.704 1.00 0.00 H new ATOM 0 HE1 TRP A 21 2.020 1.848 -1.899 1.00 0.00 H new ATOM 0 HE3 TRP A 21 3.812 6.608 -3.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 0.278 3.097 -3.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 1.785 6.964 -4.970 1.00 0.00 H new ATOM 0 HH2 TRP A 21 0.116 5.153 -5.189 1.00 0.00 H new ATOM 364 N ILE A 22 2.848 6.400 -0.042 1.00 0.00 N ATOM 365 CA ILE A 22 1.558 7.071 -0.107 1.00 0.00 C ATOM 366 C ILE A 22 1.504 8.148 0.963 1.00 0.00 C ATOM 367 O ILE A 22 0.726 9.080 0.868 1.00 0.00 O ATOM 368 CB ILE A 22 0.408 6.086 0.160 1.00 0.00 C ATOM 369 CG1 ILE A 22 0.567 4.801 -0.638 1.00 0.00 C ATOM 370 CG2 ILE A 22 -0.928 6.733 -0.240 1.00 0.00 C ATOM 371 CD1 ILE A 22 -0.243 3.612 -0.145 1.00 0.00 C ATOM 0 H ILE A 22 2.823 5.524 0.480 1.00 0.00 H new ATOM 0 HA ILE A 22 1.447 7.496 -1.105 1.00 0.00 H new ATOM 0 HB ILE A 22 0.426 5.846 1.223 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.290 5.001 -1.673 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.621 4.524 -0.638 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.742 6.034 -0.050 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.084 7.639 0.346 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.907 6.986 -1.300 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.053 2.751 -0.787 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.047 3.373 0.878 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.304 3.858 -0.173 1.00 0.00 H new ATOM 383 N ARG A 23 2.318 8.055 2.017 1.00 0.00 N ATOM 384 CA ARG A 23 2.481 9.150 2.977 1.00 0.00 C ATOM 385 C ARG A 23 3.393 10.267 2.484 1.00 0.00 C ATOM 386 O ARG A 23 3.366 11.350 3.042 1.00 0.00 O ATOM 387 CB ARG A 23 3.075 8.623 4.273 1.00 0.00 C ATOM 388 CG ARG A 23 1.989 8.087 5.187 1.00 0.00 C ATOM 389 CD ARG A 23 1.522 6.689 4.785 1.00 0.00 C ATOM 390 NE ARG A 23 1.215 5.892 5.989 1.00 0.00 N ATOM 391 CZ ARG A 23 0.258 6.118 6.861 1.00 0.00 C ATOM 392 NH1 ARG A 23 -0.561 7.101 6.697 1.00 0.00 N ATOM 393 NH2 ARG A 23 0.076 5.352 7.889 1.00 0.00 N ATOM 0 H ARG A 23 2.877 7.228 2.228 1.00 0.00 H new ATOM 0 HA ARG A 23 1.482 9.561 3.120 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.794 7.834 4.054 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.621 9.420 4.778 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.361 8.062 6.211 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.138 8.768 5.173 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.638 6.760 4.151 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.295 6.193 4.198 1.00 0.00 H new ATOM 0 HE ARG A 23 1.808 5.080 6.162 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.469 7.711 5.885 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.300 7.268 7.379 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.684 4.547 8.039 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.676 5.553 8.548 1.00 0.00 H new ATOM 407 N GLN A 24 4.163 10.034 1.428 1.00 0.00 N ATOM 408 CA GLN A 24 4.982 11.055 0.792 1.00 0.00 C ATOM 409 C GLN A 24 4.173 11.939 -0.159 1.00 0.00 C ATOM 410 O GLN A 24 4.711 12.812 -0.829 1.00 0.00 O ATOM 411 CB GLN A 24 6.150 10.381 0.059 1.00 0.00 C ATOM 412 CG GLN A 24 7.360 10.272 0.990 1.00 0.00 C ATOM 413 CD GLN A 24 7.965 11.630 1.342 1.00 0.00 C ATOM 414 OE1 GLN A 24 7.580 12.659 0.831 1.00 0.00 O ATOM 415 NE2 GLN A 24 8.951 11.650 2.207 1.00 0.00 N ATOM 0 H GLN A 24 4.236 9.118 0.985 1.00 0.00 H new ATOM 0 HA GLN A 24 5.370 11.715 1.568 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.852 9.389 -0.282 1.00 0.00 H new ATOM 0 HB3 GLN A 24 6.414 10.957 -0.828 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.061 9.764 1.907 1.00 0.00 H new ATOM 0 HG3 GLN A 24 8.122 9.653 0.516 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.272 10.781 2.635 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.397 12.534 2.452 1.00 0.00 H new ATOM 424 N GLN A 25 2.860 11.718 -0.244 1.00 0.00 N ATOM 425 CA GLN A 25 1.971 12.551 -1.058 1.00 0.00 C ATOM 426 C GLN A 25 1.347 13.691 -0.241 1.00 0.00 C ATOM 427 O GLN A 25 0.424 14.364 -0.682 1.00 0.00 O ATOM 428 CB GLN A 25 0.938 11.646 -1.744 1.00 0.00 C ATOM 429 CG GLN A 25 -0.183 11.204 -0.809 1.00 0.00 C ATOM 430 CD GLN A 25 -1.523 11.933 -0.918 1.00 0.00 C ATOM 431 OE1 GLN A 25 -2.494 11.493 -0.165 1.00 0.00 O flip ATOM 432 NE2 GLN A 25 -1.822 12.842 -1.665 1.00 0.00 N flip ATOM 0 H GLN A 25 2.384 10.961 0.246 1.00 0.00 H new ATOM 0 HA GLN A 25 2.545 13.055 -1.836 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.507 12.175 -2.594 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.442 10.764 -2.140 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.363 10.142 -0.978 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.174 11.307 0.216 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.120 13.243 -2.287 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.775 13.205 -1.671 1.00 0.00 H new ATOM 441 N LEU A 26 1.761 13.857 1.008 1.00 0.00 N ATOM 442 CA LEU A 26 1.181 14.818 1.919 1.00 0.00 C ATOM 443 C LEU A 26 2.330 15.716 2.319 1.00 0.00 C ATOM 444 O LEU A 26 3.419 15.231 2.613 1.00 0.00 O ATOM 445 CB LEU A 26 0.471 14.143 3.118 1.00 0.00 C ATOM 446 CG LEU A 26 0.434 12.608 3.160 1.00 0.00 C ATOM 447 CD1 LEU A 26 0.485 12.051 4.569 1.00 0.00 C ATOM 448 CD2 LEU A 26 -0.782 12.075 2.431 1.00 0.00 C ATOM 0 H LEU A 26 2.522 13.316 1.417 1.00 0.00 H new ATOM 0 HA LEU A 26 0.382 15.395 1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.953 14.491 4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.557 14.503 3.144 1.00 0.00 H new ATOM 0 HG LEU A 26 1.336 12.269 2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.456 10.962 4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.407 12.372 5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.371 12.417 5.136 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.784 10.986 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.686 12.459 2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.751 12.396 1.390 1.00 0.00 H new ATOM 460 N ALA A 27 2.049 17.021 2.357 1.00 0.00 N ATOM 461 CA ALA A 27 3.008 18.033 2.781 1.00 0.00 C ATOM 462 C ALA A 27 3.677 17.682 4.112 1.00 0.00 C ATOM 463 O ALA A 27 4.789 18.138 4.351 1.00 0.00 O ATOM 464 CB ALA A 27 2.290 19.372 2.949 1.00 0.00 C ATOM 0 H ALA A 27 1.141 17.403 2.092 1.00 0.00 H new ATOM 0 HA ALA A 27 3.779 18.086 2.012 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.005 20.131 3.266 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.844 19.668 1.999 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.508 19.273 3.702 1.00 0.00 H new ATOM 470 N GLY A 28 3.007 16.882 4.957 1.00 0.00 N ATOM 471 CA GLY A 28 3.554 16.247 6.150 1.00 0.00 C ATOM 472 C GLY A 28 4.669 15.249 5.840 1.00 0.00 C ATOM 473 O GLY A 28 4.540 14.062 6.132 1.00 0.00 O ATOM 0 H GLY A 28 2.023 16.654 4.813 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.939 17.016 6.820 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.752 15.734 6.681 1.00 0.00 H new ATOM 477 N SER A 29 5.764 15.730 5.262 1.00 0.00 N ATOM 478 CA SER A 29 6.932 14.933 4.939 1.00 0.00 C ATOM 479 C SER A 29 8.190 15.796 4.976 1.00 0.00 C ATOM 480 O SER A 29 8.105 17.010 4.841 1.00 0.00 O ATOM 481 CB SER A 29 6.733 14.237 3.591 1.00 0.00 C ATOM 482 OG SER A 29 7.208 15.034 2.531 1.00 0.00 O ATOM 0 H SER A 29 5.862 16.711 5.000 1.00 0.00 H new ATOM 0 HA SER A 29 7.063 14.153 5.689 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.255 13.280 3.592 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.675 14.022 3.442 1.00 0.00 H new ATOM 0 HG SER A 29 7.430 14.463 1.766 1.00 0.00 H new ATOM 488 N PRO A 30 9.350 15.216 5.285 1.00 0.00 N ATOM 489 CA PRO A 30 10.610 15.934 5.267 1.00 0.00 C ATOM 490 C PRO A 30 11.138 16.102 3.848 1.00 0.00 C ATOM 491 O PRO A 30 10.654 15.501 2.894 1.00 0.00 O ATOM 492 CB PRO A 30 11.569 15.081 6.101 1.00 0.00 C ATOM 493 CG PRO A 30 10.946 13.686 6.148 1.00 0.00 C ATOM 494 CD PRO A 30 9.510 13.834 5.663 1.00 0.00 C ATOM 0 HA PRO A 30 10.498 16.942 5.667 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.561 15.052 5.650 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.687 15.491 7.104 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.499 12.993 5.514 1.00 0.00 H new ATOM 0 HG3 PRO A 30 10.973 13.283 7.161 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.316 13.175 4.817 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.805 13.562 6.448 1.00 0.00 H new ATOM 502 N PHE A 31 12.226 16.849 3.720 1.00 0.00 N ATOM 503 CA PHE A 31 12.810 17.160 2.424 1.00 0.00 C ATOM 504 C PHE A 31 14.301 17.391 2.580 1.00 0.00 C ATOM 505 O PHE A 31 14.780 17.600 3.695 1.00 0.00 O ATOM 506 CB PHE A 31 12.178 18.445 1.871 1.00 0.00 C ATOM 507 CG PHE A 31 10.675 18.563 2.051 1.00 0.00 C ATOM 508 CD1 PHE A 31 9.816 17.852 1.191 1.00 0.00 C ATOM 509 CD2 PHE A 31 10.158 19.297 3.137 1.00 0.00 C ATOM 510 CE1 PHE A 31 8.429 17.896 1.399 1.00 0.00 C ATOM 511 CE2 PHE A 31 8.768 19.364 3.326 1.00 0.00 C ATOM 512 CZ PHE A 31 7.910 18.667 2.455 1.00 0.00 C ATOM 0 H PHE A 31 12.727 17.255 4.510 1.00 0.00 H new ATOM 0 HA PHE A 31 12.628 16.328 1.744 1.00 0.00 H new ATOM 0 HB2 PHE A 31 12.653 19.299 2.353 1.00 0.00 H new ATOM 0 HB3 PHE A 31 12.406 18.513 0.807 1.00 0.00 H new ATOM 0 HD1 PHE A 31 10.223 17.275 0.374 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.825 19.804 3.818 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.764 17.342 0.753 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.359 19.948 4.137 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.841 18.725 2.599 1.00 0.00 H new ATOM 522 N SER A 32 15.031 17.398 1.469 1.00 0.00 N ATOM 523 CA SER A 32 16.472 17.651 1.433 1.00 0.00 C ATOM 524 C SER A 32 16.987 17.396 0.033 1.00 0.00 C ATOM 525 O SER A 32 16.579 16.416 -0.587 1.00 0.00 O ATOM 526 CB SER A 32 17.221 16.731 2.416 1.00 0.00 C ATOM 527 OG SER A 32 17.951 17.529 3.321 1.00 0.00 O ATOM 0 H SER A 32 14.631 17.224 0.547 1.00 0.00 H new ATOM 0 HA SER A 32 16.647 18.687 1.723 1.00 0.00 H new ATOM 0 HB2 SER A 32 16.514 16.100 2.955 1.00 0.00 H new ATOM 0 HB3 SER A 32 17.893 16.066 1.873 1.00 0.00 H new ATOM 0 HG SER A 32 18.430 16.953 3.952 1.00 0.00 H new ATOM 533 N GLU A 33 17.884 18.248 -0.454 1.00 0.00 N ATOM 534 CA GLU A 33 18.499 18.107 -1.777 1.00 0.00 C ATOM 535 C GLU A 33 19.507 16.950 -1.792 1.00 0.00 C ATOM 536 O GLU A 33 20.720 17.135 -1.822 1.00 0.00 O ATOM 537 CB GLU A 33 19.168 19.420 -2.192 1.00 0.00 C ATOM 538 CG GLU A 33 18.123 20.475 -2.558 1.00 0.00 C ATOM 539 CD GLU A 33 18.737 21.565 -3.440 1.00 0.00 C ATOM 540 OE1 GLU A 33 19.759 22.146 -3.013 1.00 0.00 O ATOM 541 OE2 GLU A 33 18.169 21.803 -4.531 1.00 0.00 O ATOM 0 H GLU A 33 18.210 19.066 0.061 1.00 0.00 H new ATOM 0 HA GLU A 33 17.716 17.875 -2.499 1.00 0.00 H new ATOM 0 HB2 GLU A 33 19.792 19.788 -1.377 1.00 0.00 H new ATOM 0 HB3 GLU A 33 19.826 19.244 -3.043 1.00 0.00 H new ATOM 0 HG2 GLU A 33 17.291 20.003 -3.081 1.00 0.00 H new ATOM 0 HG3 GLU A 33 17.717 20.921 -1.650 1.00 0.00 H new ATOM 548 N ASN A 34 18.996 15.727 -1.696 1.00 0.00 N ATOM 549 CA ASN A 34 19.799 14.514 -1.713 1.00 0.00 C ATOM 550 C ASN A 34 18.918 13.295 -1.977 1.00 0.00 C ATOM 551 O ASN A 34 19.239 12.421 -2.774 1.00 0.00 O ATOM 552 CB ASN A 34 20.492 14.362 -0.349 1.00 0.00 C ATOM 553 CG ASN A 34 21.680 13.423 -0.426 1.00 0.00 C ATOM 554 OD1 ASN A 34 22.142 12.987 -1.463 1.00 0.00 O ATOM 555 ND2 ASN A 34 22.243 13.104 0.707 1.00 0.00 N ATOM 0 H ASN A 34 17.996 15.550 -1.603 1.00 0.00 H new ATOM 0 HA ASN A 34 20.542 14.583 -2.508 1.00 0.00 H new ATOM 0 HB2 ASN A 34 20.823 15.339 0.002 1.00 0.00 H new ATOM 0 HB3 ASN A 34 19.777 13.985 0.383 1.00 0.00 H new ATOM 0 HD21 ASN A 34 23.061 12.495 0.716 1.00 0.00 H new ATOM 0 HD22 ASN A 34 21.865 13.463 1.583 1.00 0.00 H new ATOM 562 N GLN A 35 17.761 13.251 -1.318 1.00 0.00 N ATOM 563 CA GLN A 35 16.805 12.165 -1.472 1.00 0.00 C ATOM 564 C GLN A 35 15.375 12.675 -1.355 1.00 0.00 C ATOM 565 O GLN A 35 15.128 13.853 -1.136 1.00 0.00 O ATOM 566 CB GLN A 35 17.108 11.070 -0.434 1.00 0.00 C ATOM 567 CG GLN A 35 17.157 11.617 1.008 1.00 0.00 C ATOM 568 CD GLN A 35 18.565 11.882 1.522 1.00 0.00 C ATOM 569 OE1 GLN A 35 19.576 11.486 0.987 1.00 0.00 O ATOM 570 NE2 GLN A 35 18.688 12.568 2.630 1.00 0.00 N ATOM 0 H GLN A 35 17.463 13.972 -0.661 1.00 0.00 H new ATOM 0 HA GLN A 35 16.904 11.735 -2.469 1.00 0.00 H new ATOM 0 HB2 GLN A 35 16.346 10.293 -0.498 1.00 0.00 H new ATOM 0 HB3 GLN A 35 18.063 10.601 -0.674 1.00 0.00 H new ATOM 0 HG2 GLN A 35 16.584 12.543 1.054 1.00 0.00 H new ATOM 0 HG3 GLN A 35 16.667 10.906 1.672 1.00 0.00 H new ATOM 0 HE21 GLN A 35 17.858 12.918 3.108 1.00 0.00 H new ATOM 0 HE22 GLN A 35 19.614 12.753 3.015 1.00 0.00 H new ATOM 579 N TRP A 36 14.414 11.757 -1.385 1.00 0.00 N ATOM 580 CA TRP A 36 13.010 12.093 -1.148 1.00 0.00 C ATOM 581 C TRP A 36 12.649 12.083 0.344 1.00 0.00 C ATOM 582 O TRP A 36 11.494 11.911 0.710 1.00 0.00 O ATOM 583 CB TRP A 36 12.147 11.152 -1.988 1.00 0.00 C ATOM 584 CG TRP A 36 10.799 11.704 -2.313 1.00 0.00 C ATOM 585 CD1 TRP A 36 9.635 11.443 -1.680 1.00 0.00 C ATOM 586 CD2 TRP A 36 10.475 12.679 -3.348 1.00 0.00 C ATOM 587 NE1 TRP A 36 8.615 12.175 -2.259 1.00 0.00 N ATOM 588 CE2 TRP A 36 9.080 12.958 -3.293 1.00 0.00 C ATOM 589 CE3 TRP A 36 11.239 13.352 -4.329 1.00 0.00 C ATOM 590 CZ2 TRP A 36 8.469 13.858 -4.177 1.00 0.00 C ATOM 591 CZ3 TRP A 36 10.637 14.250 -5.228 1.00 0.00 C ATOM 592 CH2 TRP A 36 9.256 14.502 -5.151 1.00 0.00 C ATOM 0 H TRP A 36 14.581 10.768 -1.572 1.00 0.00 H new ATOM 0 HA TRP A 36 12.817 13.119 -1.462 1.00 0.00 H new ATOM 0 HB2 TRP A 36 12.671 10.925 -2.917 1.00 0.00 H new ATOM 0 HB3 TRP A 36 12.025 10.210 -1.453 1.00 0.00 H new ATOM 0 HD1 TRP A 36 9.519 10.765 -0.847 1.00 0.00 H new ATOM 0 HE1 TRP A 36 7.641 12.140 -1.959 1.00 0.00 H new ATOM 0 HE3 TRP A 36 12.302 13.173 -4.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 7.409 14.055 -4.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 11.235 14.746 -5.978 1.00 0.00 H new ATOM 0 HH2 TRP A 36 8.796 15.193 -5.842 1.00 0.00 H new ATOM 603 N GLY A 37 13.648 12.177 1.230 1.00 0.00 N ATOM 604 CA GLY A 37 13.478 12.107 2.681 1.00 0.00 C ATOM 605 C GLY A 37 14.061 10.820 3.241 1.00 0.00 C ATOM 606 O GLY A 37 15.131 10.859 3.848 1.00 0.00 O ATOM 0 H GLY A 37 14.620 12.307 0.948 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.964 12.963 3.149 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.418 12.168 2.929 1.00 0.00 H new ATOM 610 N PRO A 38 13.391 9.670 3.046 1.00 0.00 N ATOM 611 CA PRO A 38 13.869 8.383 3.510 1.00 0.00 C ATOM 612 C PRO A 38 15.057 7.983 2.668 1.00 0.00 C ATOM 613 O PRO A 38 14.888 7.223 1.748 1.00 0.00 O ATOM 614 CB PRO A 38 12.664 7.425 3.406 1.00 0.00 C ATOM 615 CG PRO A 38 11.672 8.092 2.454 1.00 0.00 C ATOM 616 CD PRO A 38 12.168 9.512 2.277 1.00 0.00 C ATOM 0 HA PRO A 38 14.223 8.380 4.541 1.00 0.00 H new ATOM 0 HB2 PRO A 38 12.973 6.451 3.027 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.213 7.258 4.384 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.633 7.569 1.499 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.663 8.078 2.866 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.353 9.720 1.223 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.413 10.222 2.615 1.00 0.00 H new ATOM 624 N GLN A 39 16.263 8.452 2.962 1.00 0.00 N ATOM 625 CA GLN A 39 17.464 8.050 2.210 1.00 0.00 C ATOM 626 C GLN A 39 17.618 6.526 2.140 1.00 0.00 C ATOM 627 O GLN A 39 18.151 5.997 1.174 1.00 0.00 O ATOM 628 CB GLN A 39 18.695 8.668 2.884 1.00 0.00 C ATOM 629 CG GLN A 39 19.078 7.946 4.194 1.00 0.00 C ATOM 630 CD GLN A 39 19.944 6.698 3.984 1.00 0.00 C ATOM 631 OE1 GLN A 39 20.601 6.489 2.987 1.00 0.00 O ATOM 632 NE2 GLN A 39 19.915 5.786 4.921 1.00 0.00 N ATOM 0 H GLN A 39 16.445 9.114 3.717 1.00 0.00 H new ATOM 0 HA GLN A 39 17.365 8.410 1.186 1.00 0.00 H new ATOM 0 HB2 GLN A 39 19.538 8.634 2.194 1.00 0.00 H new ATOM 0 HB3 GLN A 39 18.499 9.719 3.096 1.00 0.00 H new ATOM 0 HG2 GLN A 39 19.613 8.643 4.839 1.00 0.00 H new ATOM 0 HG3 GLN A 39 18.167 7.660 4.720 1.00 0.00 H new ATOM 0 HE21 GLN A 39 19.368 5.942 5.768 1.00 0.00 H new ATOM 0 HE22 GLN A 39 20.439 4.919 4.805 1.00 0.00 H new ATOM 641 N GLN A 40 17.129 5.834 3.183 1.00 0.00 N ATOM 642 CA GLN A 40 17.152 4.390 3.253 1.00 0.00 C ATOM 643 C GLN A 40 16.098 3.820 2.333 1.00 0.00 C ATOM 644 O GLN A 40 16.414 2.872 1.650 1.00 0.00 O ATOM 645 CB GLN A 40 16.914 3.911 4.684 1.00 0.00 C ATOM 646 CG GLN A 40 16.882 2.370 4.763 1.00 0.00 C ATOM 647 CD GLN A 40 18.073 1.832 5.514 1.00 0.00 C ATOM 648 OE1 GLN A 40 19.117 1.516 4.984 1.00 0.00 O ATOM 649 NE2 GLN A 40 17.949 1.755 6.813 1.00 0.00 N ATOM 0 H GLN A 40 16.707 6.278 3.999 1.00 0.00 H new ATOM 0 HA GLN A 40 18.135 4.042 2.937 1.00 0.00 H new ATOM 0 HB2 GLN A 40 17.701 4.294 5.333 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.971 4.316 5.053 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.964 2.049 5.255 1.00 0.00 H new ATOM 0 HG3 GLN A 40 16.866 1.953 3.756 1.00 0.00 H new ATOM 0 HE21 GLN A 40 17.071 2.021 7.258 1.00 0.00 H new ATOM 0 HE22 GLN A 40 18.731 1.429 7.381 1.00 0.00 H new ATOM 658 N GLY A 41 14.894 4.409 2.283 1.00 0.00 N ATOM 659 CA GLY A 41 13.854 4.010 1.332 1.00 0.00 C ATOM 660 C GLY A 41 13.364 5.159 0.477 1.00 0.00 C ATOM 661 O GLY A 41 12.210 5.507 0.640 1.00 0.00 O ATOM 0 H GLY A 41 14.618 5.173 2.900 1.00 0.00 H new ATOM 0 HA2 GLY A 41 14.243 3.223 0.686 1.00 0.00 H new ATOM 0 HA3 GLY A 41 13.012 3.586 1.879 1.00 0.00 H new ATOM 665 N PRO A 42 14.179 5.758 -0.409 1.00 0.00 N ATOM 666 CA PRO A 42 13.792 6.922 -1.203 1.00 0.00 C ATOM 667 C PRO A 42 12.947 6.480 -2.379 1.00 0.00 C ATOM 668 O PRO A 42 12.025 7.174 -2.793 1.00 0.00 O ATOM 669 CB PRO A 42 15.097 7.556 -1.703 1.00 0.00 C ATOM 670 CG PRO A 42 16.182 6.498 -1.511 1.00 0.00 C ATOM 671 CD PRO A 42 15.564 5.410 -0.637 1.00 0.00 C ATOM 0 HA PRO A 42 13.207 7.631 -0.616 1.00 0.00 H new ATOM 0 HB2 PRO A 42 15.014 7.844 -2.751 1.00 0.00 H new ATOM 0 HB3 PRO A 42 15.331 8.461 -1.142 1.00 0.00 H new ATOM 0 HG2 PRO A 42 16.504 6.091 -2.470 1.00 0.00 H new ATOM 0 HG3 PRO A 42 17.064 6.926 -1.034 1.00 0.00 H new ATOM 0 HD2 PRO A 42 15.638 4.439 -1.127 1.00 0.00 H new ATOM 0 HD3 PRO A 42 16.099 5.331 0.310 1.00 0.00 H new ATOM 679 N SER A 43 13.235 5.296 -2.902 1.00 0.00 N ATOM 680 CA SER A 43 12.470 4.721 -3.984 1.00 0.00 C ATOM 681 C SER A 43 11.513 3.731 -3.379 1.00 0.00 C ATOM 682 O SER A 43 11.562 2.578 -3.728 1.00 0.00 O ATOM 683 CB SER A 43 13.402 4.049 -4.990 1.00 0.00 C ATOM 684 OG SER A 43 14.311 5.000 -5.495 1.00 0.00 O ATOM 0 H SER A 43 14.008 4.712 -2.583 1.00 0.00 H new ATOM 0 HA SER A 43 11.917 5.489 -4.525 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.942 3.232 -4.512 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.823 3.615 -5.805 1.00 0.00 H new ATOM 0 HG SER A 43 14.911 4.569 -6.139 1.00 0.00 H new ATOM 690 N LEU A 44 10.613 4.140 -2.486 1.00 0.00 N ATOM 691 CA LEU A 44 9.634 3.276 -1.883 1.00 0.00 C ATOM 692 C LEU A 44 8.833 2.563 -2.928 1.00 0.00 C ATOM 693 O LEU A 44 8.696 1.374 -2.862 1.00 0.00 O ATOM 694 CB LEU A 44 8.647 4.066 -1.068 1.00 0.00 C ATOM 695 CG LEU A 44 9.254 4.923 0.040 1.00 0.00 C ATOM 696 CD1 LEU A 44 9.521 6.335 -0.501 1.00 0.00 C ATOM 697 CD2 LEU A 44 8.345 5.022 1.256 1.00 0.00 C ATOM 0 H LEU A 44 10.554 5.106 -2.163 1.00 0.00 H new ATOM 0 HA LEU A 44 10.187 2.573 -1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.083 4.714 -1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.934 3.374 -0.620 1.00 0.00 H new ATOM 0 HG LEU A 44 10.182 4.445 0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.955 6.951 0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.215 6.278 -1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.584 6.780 -0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.821 5.642 2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.395 5.470 0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.167 4.025 1.659 1.00 0.00 H new ATOM 709 N ARG A 45 8.307 3.195 -3.956 1.00 0.00 N ATOM 710 CA ARG A 45 7.698 2.430 -5.052 1.00 0.00 C ATOM 711 C ARG A 45 8.547 1.325 -5.671 1.00 0.00 C ATOM 712 O ARG A 45 7.980 0.389 -6.193 1.00 0.00 O ATOM 713 CB ARG A 45 7.344 3.403 -6.174 1.00 0.00 C ATOM 714 CG ARG A 45 5.951 3.149 -6.717 1.00 0.00 C ATOM 715 CD ARG A 45 4.904 3.238 -5.593 1.00 0.00 C ATOM 716 NE ARG A 45 3.618 3.703 -6.115 1.00 0.00 N ATOM 717 CZ ARG A 45 3.406 4.878 -6.673 1.00 0.00 C ATOM 718 NH1 ARG A 45 4.329 5.802 -6.705 1.00 0.00 N ATOM 719 NH2 ARG A 45 2.250 5.166 -7.186 1.00 0.00 N ATOM 0 H ARG A 45 8.282 4.209 -4.067 1.00 0.00 H new ATOM 0 HA ARG A 45 6.844 1.929 -4.596 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.409 4.426 -5.803 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.072 3.309 -6.980 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.720 3.877 -7.494 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.910 2.164 -7.181 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.780 2.260 -5.127 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.254 3.919 -4.817 1.00 0.00 H new ATOM 0 HE ARG A 45 2.823 3.068 -6.041 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.244 5.624 -6.291 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.135 6.702 -7.144 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.495 4.480 -7.160 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.096 6.078 -7.616 1.00 0.00 H new ATOM 733 N GLU A 46 9.858 1.421 -5.566 1.00 0.00 N ATOM 734 CA GLU A 46 10.812 0.367 -5.918 1.00 0.00 C ATOM 735 C GLU A 46 11.202 -0.540 -4.737 1.00 0.00 C ATOM 736 O GLU A 46 11.413 -1.735 -4.883 1.00 0.00 O ATOM 737 CB GLU A 46 12.041 1.067 -6.508 1.00 0.00 C ATOM 738 CG GLU A 46 12.498 0.336 -7.762 1.00 0.00 C ATOM 739 CD GLU A 46 13.483 -0.787 -7.432 1.00 0.00 C ATOM 740 OE1 GLU A 46 14.676 -0.456 -7.252 1.00 0.00 O ATOM 741 OE2 GLU A 46 13.036 -1.950 -7.390 1.00 0.00 O ATOM 0 H GLU A 46 10.314 2.265 -5.220 1.00 0.00 H new ATOM 0 HA GLU A 46 10.347 -0.309 -6.635 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.801 2.103 -6.747 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.847 1.088 -5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.632 -0.079 -8.278 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.968 1.043 -8.445 1.00 0.00 H new ATOM 748 N GLN A 47 11.179 -0.021 -3.514 1.00 0.00 N ATOM 749 CA GLN A 47 11.525 -0.743 -2.313 1.00 0.00 C ATOM 750 C GLN A 47 10.345 -1.507 -1.786 1.00 0.00 C ATOM 751 O GLN A 47 10.503 -2.658 -1.479 1.00 0.00 O ATOM 752 CB GLN A 47 12.005 0.207 -1.224 1.00 0.00 C ATOM 753 CG GLN A 47 13.501 -0.011 -1.005 1.00 0.00 C ATOM 754 CD GLN A 47 13.861 0.278 0.426 1.00 0.00 C ATOM 755 OE1 GLN A 47 14.728 1.059 0.705 1.00 0.00 O ATOM 756 NE2 GLN A 47 13.186 -0.297 1.393 1.00 0.00 N ATOM 0 H GLN A 47 10.909 0.946 -3.335 1.00 0.00 H new ATOM 0 HA GLN A 47 12.325 -1.435 -2.576 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.812 1.240 -1.513 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.458 0.027 -0.298 1.00 0.00 H new ATOM 0 HG2 GLN A 47 13.767 -1.038 -1.255 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.072 0.637 -1.670 1.00 0.00 H new ATOM 0 HE21 GLN A 47 12.446 -0.963 1.172 1.00 0.00 H new ATOM 0 HE22 GLN A 47 13.401 -0.078 2.366 1.00 0.00 H new ATOM 765 N CYS A 48 9.162 -0.922 -1.679 1.00 0.00 N ATOM 766 CA CYS A 48 7.892 -1.555 -1.376 1.00 0.00 C ATOM 767 C CYS A 48 7.605 -2.661 -2.356 1.00 0.00 C ATOM 768 O CYS A 48 7.254 -3.744 -1.941 1.00 0.00 O ATOM 769 CB CYS A 48 6.703 -0.594 -1.402 1.00 0.00 C ATOM 770 SG CYS A 48 5.045 -1.362 -1.467 1.00 0.00 S ATOM 0 H CYS A 48 9.059 0.084 -1.812 1.00 0.00 H new ATOM 0 HA CYS A 48 8.000 -1.937 -0.361 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.753 0.037 -0.515 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.811 0.061 -2.266 1.00 0.00 H new ATOM 775 N CYS A 49 7.820 -2.458 -3.651 1.00 0.00 N ATOM 776 CA CYS A 49 7.705 -3.569 -4.599 1.00 0.00 C ATOM 777 C CYS A 49 8.678 -4.723 -4.309 1.00 0.00 C ATOM 778 O CYS A 49 8.467 -5.827 -4.795 1.00 0.00 O ATOM 779 CB CYS A 49 7.901 -3.063 -6.014 1.00 0.00 C ATOM 780 SG CYS A 49 6.444 -2.084 -6.481 1.00 0.00 S ATOM 0 H CYS A 49 8.069 -1.560 -4.065 1.00 0.00 H new ATOM 0 HA CYS A 49 6.701 -3.977 -4.482 1.00 0.00 H new ATOM 0 HB2 CYS A 49 8.803 -2.454 -6.077 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.032 -3.899 -6.701 1.00 0.00 H new ATOM 785 N ASN A 50 9.694 -4.494 -3.477 1.00 0.00 N ATOM 786 CA ASN A 50 10.613 -5.489 -2.945 1.00 0.00 C ATOM 787 C ASN A 50 10.340 -5.871 -1.492 1.00 0.00 C ATOM 788 O ASN A 50 10.748 -6.933 -1.043 1.00 0.00 O ATOM 789 CB ASN A 50 12.036 -4.926 -3.095 1.00 0.00 C ATOM 790 CG ASN A 50 12.836 -5.794 -4.032 1.00 0.00 C ATOM 791 OD1 ASN A 50 13.925 -6.247 -3.732 1.00 0.00 O ATOM 792 ND2 ASN A 50 12.282 -6.088 -5.184 1.00 0.00 N ATOM 0 H ASN A 50 9.906 -3.555 -3.140 1.00 0.00 H new ATOM 0 HA ASN A 50 10.480 -6.412 -3.509 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.994 -3.906 -3.477 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.523 -4.882 -2.121 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.764 -6.703 -5.840 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.369 -5.702 -5.424 1.00 0.00 H new ATOM 799 N GLU A 51 9.610 -5.037 -0.766 1.00 0.00 N ATOM 800 CA GLU A 51 9.303 -5.214 0.642 1.00 0.00 C ATOM 801 C GLU A 51 7.926 -5.859 0.796 1.00 0.00 C ATOM 802 O GLU A 51 7.535 -6.277 1.874 1.00 0.00 O ATOM 803 CB GLU A 51 9.380 -3.873 1.391 1.00 0.00 C ATOM 804 CG GLU A 51 8.003 -3.295 1.704 1.00 0.00 C ATOM 805 CD GLU A 51 8.047 -1.916 2.313 1.00 0.00 C ATOM 806 OE1 GLU A 51 9.126 -1.337 2.570 1.00 0.00 O ATOM 807 OE2 GLU A 51 6.938 -1.403 2.578 1.00 0.00 O ATOM 0 H GLU A 51 9.201 -4.188 -1.157 1.00 0.00 H new ATOM 0 HA GLU A 51 10.045 -5.878 1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.931 -4.012 2.321 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.942 -3.158 0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.417 -3.258 0.786 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.483 -3.967 2.387 1.00 0.00 H new ATOM 814 N LEU A 52 7.129 -5.854 -0.270 1.00 0.00 N ATOM 815 CA LEU A 52 5.802 -6.435 -0.299 1.00 0.00 C ATOM 816 C LEU A 52 5.916 -7.860 -0.856 1.00 0.00 C ATOM 817 O LEU A 52 5.043 -8.694 -0.663 1.00 0.00 O ATOM 818 CB LEU A 52 4.859 -5.484 -1.079 1.00 0.00 C ATOM 819 CG LEU A 52 4.536 -5.837 -2.542 1.00 0.00 C ATOM 820 CD1 LEU A 52 5.716 -6.275 -3.407 1.00 0.00 C ATOM 821 CD2 LEU A 52 3.484 -6.931 -2.513 1.00 0.00 C ATOM 0 H LEU A 52 7.402 -5.433 -1.158 1.00 0.00 H new ATOM 0 HA LEU A 52 5.356 -6.535 0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.918 -5.423 -0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.301 -4.488 -1.064 1.00 0.00 H new ATOM 0 HG LEU A 52 4.194 -4.918 -3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.366 -6.497 -4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.454 -5.474 -3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.171 -7.167 -2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.224 -7.213 -3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.877 -7.800 -1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.594 -6.567 -2.000 1.00 0.00 H new ATOM 833 N TYR A 53 7.015 -8.144 -1.565 1.00 0.00 N ATOM 834 CA TYR A 53 7.262 -9.399 -2.254 1.00 0.00 C ATOM 835 C TYR A 53 8.167 -10.270 -1.396 1.00 0.00 C ATOM 836 O TYR A 53 8.732 -11.245 -1.876 1.00 0.00 O ATOM 837 CB TYR A 53 7.891 -9.110 -3.627 1.00 0.00 C ATOM 838 CG TYR A 53 7.192 -9.784 -4.783 1.00 0.00 C ATOM 839 CD1 TYR A 53 7.097 -11.186 -4.825 1.00 0.00 C ATOM 840 CD2 TYR A 53 6.701 -9.009 -5.847 1.00 0.00 C ATOM 841 CE1 TYR A 53 6.527 -11.812 -5.950 1.00 0.00 C ATOM 842 CE2 TYR A 53 6.113 -9.640 -6.959 1.00 0.00 C ATOM 843 CZ TYR A 53 6.000 -11.046 -7.000 1.00 0.00 C ATOM 844 OH TYR A 53 5.278 -11.659 -7.988 1.00 0.00 O ATOM 0 H TYR A 53 7.779 -7.477 -1.673 1.00 0.00 H new ATOM 0 HA TYR A 53 6.327 -9.936 -2.417 1.00 0.00 H new ATOM 0 HB2 TYR A 53 7.890 -8.033 -3.795 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.933 -9.429 -3.611 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.459 -11.780 -3.999 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.775 -7.932 -5.812 1.00 0.00 H new ATOM 0 HE1 TYR A 53 6.495 -12.890 -6.005 1.00 0.00 H new ATOM 0 HE2 TYR A 53 5.747 -9.046 -7.784 1.00 0.00 H new ATOM 0 HH TYR A 53 5.009 -10.995 -8.657 1.00 0.00 H new ATOM 854 N GLN A 54 8.347 -9.883 -0.136 1.00 0.00 N ATOM 855 CA GLN A 54 9.179 -10.606 0.804 1.00 0.00 C ATOM 856 C GLN A 54 8.342 -11.562 1.632 1.00 0.00 C ATOM 857 O GLN A 54 8.804 -12.652 1.946 1.00 0.00 O ATOM 858 CB GLN A 54 9.922 -9.616 1.697 1.00 0.00 C ATOM 859 CG GLN A 54 8.972 -8.858 2.630 1.00 0.00 C ATOM 860 CD GLN A 54 9.686 -7.816 3.473 1.00 0.00 C ATOM 861 OE1 GLN A 54 10.399 -6.933 3.030 1.00 0.00 O ATOM 862 NE2 GLN A 54 9.593 -7.946 4.770 1.00 0.00 N ATOM 0 H GLN A 54 7.912 -9.049 0.259 1.00 0.00 H new ATOM 0 HA GLN A 54 9.910 -11.197 0.253 1.00 0.00 H new ATOM 0 HB2 GLN A 54 10.664 -10.150 2.291 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.464 -8.904 1.075 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.198 -8.371 2.036 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.470 -9.569 3.287 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.003 -8.677 5.168 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.110 -7.317 5.384 1.00 0.00 H new ATOM 871 N GLU A 55 7.111 -11.166 1.954 1.00 0.00 N ATOM 872 CA GLU A 55 6.208 -11.987 2.740 1.00 0.00 C ATOM 873 C GLU A 55 5.500 -13.026 1.878 1.00 0.00 C ATOM 874 O GLU A 55 4.531 -13.628 2.322 1.00 0.00 O ATOM 875 CB GLU A 55 5.234 -11.090 3.495 1.00 0.00 C ATOM 876 CG GLU A 55 5.911 -10.169 4.500 1.00 0.00 C ATOM 877 CD GLU A 55 5.094 -10.118 5.797 1.00 0.00 C ATOM 878 OE1 GLU A 55 5.038 -11.147 6.509 1.00 0.00 O ATOM 879 OE2 GLU A 55 4.453 -9.069 6.028 1.00 0.00 O ATOM 0 H GLU A 55 6.718 -10.267 1.675 1.00 0.00 H new ATOM 0 HA GLU A 55 6.784 -12.553 3.472 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.678 -10.486 2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.508 -11.714 4.017 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.920 -10.525 4.710 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.007 -9.167 4.081 1.00 0.00 H new ATOM 886 N ASP A 56 5.983 -13.237 0.648 1.00 0.00 N ATOM 887 CA ASP A 56 5.442 -14.151 -0.348 1.00 0.00 C ATOM 888 C ASP A 56 4.249 -13.495 -1.045 1.00 0.00 C ATOM 889 O ASP A 56 3.904 -12.337 -0.818 1.00 0.00 O ATOM 890 CB ASP A 56 5.006 -15.460 0.336 1.00 0.00 C ATOM 891 CG ASP A 56 5.024 -16.677 -0.567 1.00 0.00 C ATOM 892 OD1 ASP A 56 5.743 -16.663 -1.584 1.00 0.00 O ATOM 893 OD2 ASP A 56 4.189 -17.570 -0.322 1.00 0.00 O ATOM 0 H ASP A 56 6.808 -12.744 0.308 1.00 0.00 H new ATOM 0 HA ASP A 56 6.206 -14.379 -1.091 1.00 0.00 H new ATOM 0 HB2 ASP A 56 5.660 -15.646 1.188 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.998 -15.331 0.731 1.00 0.00 H new ATOM 898 N GLN A 57 3.513 -14.256 -1.849 1.00 0.00 N ATOM 899 CA GLN A 57 2.298 -13.780 -2.514 1.00 0.00 C ATOM 900 C GLN A 57 1.068 -13.871 -1.640 1.00 0.00 C ATOM 901 O GLN A 57 0.058 -13.180 -1.822 1.00 0.00 O ATOM 902 CB GLN A 57 2.108 -14.600 -3.785 1.00 0.00 C ATOM 903 CG GLN A 57 2.771 -13.923 -4.978 1.00 0.00 C ATOM 904 CD GLN A 57 4.075 -13.250 -4.590 1.00 0.00 C ATOM 905 OE1 GLN A 57 5.066 -13.905 -4.376 1.00 0.00 O ATOM 906 NE2 GLN A 57 4.092 -11.945 -4.452 1.00 0.00 N ATOM 0 H GLN A 57 3.742 -15.227 -2.061 1.00 0.00 H new ATOM 0 HA GLN A 57 2.423 -12.721 -2.742 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.531 -15.595 -3.646 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.044 -14.730 -3.982 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.961 -14.662 -5.756 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.091 -13.183 -5.400 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.248 -11.402 -4.636 1.00 0.00 H new ATOM 0 HE22 GLN A 57 4.949 -11.474 -4.161 1.00 0.00 H new ATOM 915 N VAL A 58 1.137 -14.749 -0.656 1.00 0.00 N ATOM 916 CA VAL A 58 0.064 -14.949 0.302 1.00 0.00 C ATOM 917 C VAL A 58 -0.021 -13.759 1.235 1.00 0.00 C ATOM 918 O VAL A 58 -1.087 -13.544 1.802 1.00 0.00 O ATOM 919 CB VAL A 58 0.233 -16.294 1.036 1.00 0.00 C ATOM 920 CG1 VAL A 58 -1.114 -16.932 1.297 1.00 0.00 C ATOM 921 CG2 VAL A 58 1.072 -17.290 0.254 1.00 0.00 C ATOM 0 H VAL A 58 1.947 -15.349 -0.498 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.891 -15.010 -0.219 1.00 0.00 H new ATOM 0 HB VAL A 58 0.744 -16.060 1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.973 -17.880 1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.718 -16.267 1.914 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.623 -17.109 0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.157 -18.218 0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.596 -17.492 -0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.066 -16.876 0.086 1.00 0.00 H new ATOM 931 N CYS A 59 1.002 -12.909 1.259 1.00 0.00 N ATOM 932 CA CYS A 59 1.066 -11.701 2.060 1.00 0.00 C ATOM 933 C CYS A 59 1.156 -10.476 1.150 1.00 0.00 C ATOM 934 O CYS A 59 1.511 -9.373 1.550 1.00 0.00 O ATOM 935 CB CYS A 59 2.242 -11.796 2.987 1.00 0.00 C ATOM 936 SG CYS A 59 2.218 -12.948 4.419 1.00 0.00 S ATOM 0 H CYS A 59 1.840 -13.053 0.696 1.00 0.00 H new ATOM 0 HA CYS A 59 0.162 -11.594 2.660 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.109 -12.057 2.380 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.420 -10.796 3.383 1.00 0.00 H new ATOM 941 N VAL A 60 0.658 -10.611 -0.076 1.00 0.00 N ATOM 942 CA VAL A 60 0.537 -9.498 -1.015 1.00 0.00 C ATOM 943 C VAL A 60 -0.849 -8.913 -0.989 1.00 0.00 C ATOM 944 O VAL A 60 -1.094 -7.839 -1.510 1.00 0.00 O ATOM 945 CB VAL A 60 0.889 -9.997 -2.414 1.00 0.00 C ATOM 946 CG1 VAL A 60 0.173 -9.213 -3.513 1.00 0.00 C ATOM 947 CG2 VAL A 60 2.400 -9.979 -2.541 1.00 0.00 C ATOM 0 H VAL A 60 0.325 -11.500 -0.449 1.00 0.00 H new ATOM 0 HA VAL A 60 1.226 -8.705 -0.724 1.00 0.00 H new ATOM 0 HB VAL A 60 0.533 -11.018 -2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.459 -9.609 -4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.905 -9.309 -3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.454 -8.162 -3.452 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.686 -10.331 -3.532 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.765 -8.962 -2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.837 -10.631 -1.784 1.00 0.00 H new ATOM 957 N CYS A 61 -1.813 -9.633 -0.458 1.00 0.00 N ATOM 958 CA CYS A 61 -3.148 -9.129 -0.281 1.00 0.00 C ATOM 959 C CYS A 61 -3.972 -10.142 0.522 1.00 0.00 C ATOM 960 O CYS A 61 -3.534 -11.267 0.747 1.00 0.00 O ATOM 961 CB CYS A 61 -3.759 -8.778 -1.641 1.00 0.00 C ATOM 962 SG CYS A 61 -4.001 -6.990 -1.778 1.00 0.00 S ATOM 0 H CYS A 61 -1.686 -10.592 -0.136 1.00 0.00 H new ATOM 0 HA CYS A 61 -3.139 -8.204 0.295 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.106 -9.126 -2.441 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.713 -9.291 -1.762 1.00 0.00 H new ATOM 967 N PRO A 62 -5.188 -9.744 0.935 1.00 0.00 N ATOM 968 CA PRO A 62 -5.597 -8.354 1.003 1.00 0.00 C ATOM 969 C PRO A 62 -4.819 -7.558 2.047 1.00 0.00 C ATOM 970 O PRO A 62 -5.119 -6.398 2.256 1.00 0.00 O ATOM 971 CB PRO A 62 -7.081 -8.326 1.300 1.00 0.00 C ATOM 972 CG PRO A 62 -7.338 -9.642 1.999 1.00 0.00 C ATOM 973 CD PRO A 62 -6.113 -10.524 1.713 1.00 0.00 C ATOM 0 HA PRO A 62 -5.381 -7.875 0.048 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.346 -7.479 1.933 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.669 -8.237 0.387 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.470 -9.494 3.071 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.250 -10.109 1.627 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.650 -10.850 2.644 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.406 -11.423 1.171 1.00 0.00 H new ATOM 981 N THR A 63 -3.807 -8.130 2.671 1.00 0.00 N ATOM 982 CA THR A 63 -2.823 -7.442 3.496 1.00 0.00 C ATOM 983 C THR A 63 -2.361 -6.082 2.989 1.00 0.00 C ATOM 984 O THR A 63 -2.474 -5.096 3.705 1.00 0.00 O ATOM 985 CB THR A 63 -1.591 -8.331 3.603 1.00 0.00 C ATOM 986 OG1 THR A 63 -1.321 -8.942 2.363 1.00 0.00 O ATOM 987 CG2 THR A 63 -1.847 -9.440 4.593 1.00 0.00 C ATOM 0 H THR A 63 -3.638 -9.134 2.616 1.00 0.00 H new ATOM 0 HA THR A 63 -3.324 -7.255 4.446 1.00 0.00 H new ATOM 0 HB THR A 63 -0.753 -7.708 3.916 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.197 -9.905 2.493 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.963 -10.074 4.666 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.068 -9.011 5.570 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.695 -10.038 4.259 1.00 0.00 H new ATOM 995 N LEU A 64 -1.955 -5.961 1.725 1.00 0.00 N ATOM 996 CA LEU A 64 -1.646 -4.653 1.134 1.00 0.00 C ATOM 997 C LEU A 64 -2.836 -3.694 1.116 1.00 0.00 C ATOM 998 O LEU A 64 -2.698 -2.522 1.454 1.00 0.00 O ATOM 999 CB LEU A 64 -1.184 -4.865 -0.294 1.00 0.00 C ATOM 1000 CG LEU A 64 0.268 -4.449 -0.503 1.00 0.00 C ATOM 1001 CD1 LEU A 64 0.972 -5.514 -1.295 1.00 0.00 C ATOM 1002 CD2 LEU A 64 0.352 -3.108 -1.242 1.00 0.00 C ATOM 0 H LEU A 64 -1.832 -6.749 1.089 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.875 -4.198 1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.300 -5.916 -0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.823 -4.295 -0.968 1.00 0.00 H new ATOM 0 HG LEU A 64 0.746 -4.329 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.012 -5.225 -1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.935 -6.457 -0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.481 -5.633 -2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.398 -2.833 -1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.130 -3.198 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.152 -2.338 -0.658 1.00 0.00 H new ATOM 1014 N LYS A 65 -4.041 -4.212 0.842 1.00 0.00 N ATOM 1015 CA LYS A 65 -5.297 -3.470 1.019 1.00 0.00 C ATOM 1016 C LYS A 65 -5.485 -3.027 2.487 1.00 0.00 C ATOM 1017 O LYS A 65 -6.151 -2.035 2.779 1.00 0.00 O ATOM 1018 CB LYS A 65 -6.468 -4.308 0.433 1.00 0.00 C ATOM 1019 CG LYS A 65 -7.823 -3.976 1.056 1.00 0.00 C ATOM 1020 CD LYS A 65 -8.032 -4.656 2.416 1.00 0.00 C ATOM 1021 CE LYS A 65 -9.422 -5.249 2.571 1.00 0.00 C ATOM 1022 NZ LYS A 65 -10.273 -4.336 3.361 1.00 0.00 N ATOM 0 H LYS A 65 -4.173 -5.160 0.490 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.272 -2.535 0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.521 -4.142 -0.643 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.257 -5.367 0.582 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.908 -2.896 1.177 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.617 -4.283 0.375 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.290 -5.444 2.541 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.861 -3.929 3.210 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.867 -5.417 1.590 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.360 -6.220 3.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.223 -4.748 3.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.853 -4.197 4.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.344 -3.419 2.875 1.00 0.00 H new ATOM 1036 N GLN A 66 -4.944 -3.764 3.457 1.00 0.00 N ATOM 1037 CA GLN A 66 -5.020 -3.406 4.875 1.00 0.00 C ATOM 1038 C GLN A 66 -4.115 -2.239 5.220 1.00 0.00 C ATOM 1039 O GLN A 66 -4.493 -1.404 6.034 1.00 0.00 O ATOM 1040 CB GLN A 66 -4.630 -4.603 5.759 1.00 0.00 C ATOM 1041 CG GLN A 66 -5.738 -4.872 6.779 1.00 0.00 C ATOM 1042 CD GLN A 66 -6.754 -5.865 6.234 1.00 0.00 C ATOM 1043 OE1 GLN A 66 -7.037 -5.824 4.954 1.00 0.00 O flip ATOM 1044 NE2 GLN A 66 -7.336 -6.675 6.919 1.00 0.00 N flip ATOM 0 H GLN A 66 -4.437 -4.632 3.281 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.053 -3.116 5.065 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.468 -5.486 5.141 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.691 -4.397 6.273 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.303 -5.261 7.700 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.238 -3.937 7.033 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -7.139 -6.733 7.918 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -8.023 -7.300 6.497 1.00 0.00 H new ATOM 1053 N ALA A 67 -2.988 -2.128 4.521 1.00 0.00 N ATOM 1054 CA ALA A 67 -2.078 -1.018 4.633 1.00 0.00 C ATOM 1055 C ALA A 67 -2.517 0.163 3.746 1.00 0.00 C ATOM 1056 O ALA A 67 -1.737 1.023 3.359 1.00 0.00 O ATOM 1057 CB ALA A 67 -0.683 -1.544 4.294 1.00 0.00 C ATOM 0 H ALA A 67 -2.685 -2.831 3.847 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.073 -0.615 5.646 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.040 -0.731 4.367 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.412 -2.335 4.994 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.681 -1.941 3.279 1.00 0.00 H new ATOM 1063 N ALA A 68 -3.777 0.203 3.346 1.00 0.00 N ATOM 1064 CA ALA A 68 -4.305 1.273 2.520 1.00 0.00 C ATOM 1065 C ALA A 68 -5.477 1.922 3.227 1.00 0.00 C ATOM 1066 O ALA A 68 -5.661 3.133 3.118 1.00 0.00 O ATOM 1067 CB ALA A 68 -4.697 0.697 1.165 1.00 0.00 C ATOM 0 H ALA A 68 -4.465 -0.510 3.587 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.554 2.046 2.355 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.096 1.491 0.534 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.820 0.260 0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.456 -0.073 1.303 1.00 0.00 H new ATOM 1073 N LYS A 69 -6.254 1.131 3.986 1.00 0.00 N ATOM 1074 CA LYS A 69 -7.411 1.611 4.737 1.00 0.00 C ATOM 1075 C LYS A 69 -7.102 2.905 5.463 1.00 0.00 C ATOM 1076 O LYS A 69 -7.668 3.945 5.131 1.00 0.00 O ATOM 1077 CB LYS A 69 -7.915 0.515 5.687 1.00 0.00 C ATOM 1078 CG LYS A 69 -9.402 0.729 6.006 1.00 0.00 C ATOM 1079 CD LYS A 69 -10.265 0.653 4.737 1.00 0.00 C ATOM 1080 CE LYS A 69 -11.556 -0.122 4.976 1.00 0.00 C ATOM 1081 NZ LYS A 69 -12.335 -0.262 3.716 1.00 0.00 N ATOM 0 H LYS A 69 -6.089 0.130 4.092 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.214 1.838 4.036 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.771 -0.465 5.232 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.333 0.527 6.608 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.735 -0.025 6.720 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.537 1.700 6.482 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.504 1.661 4.399 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.697 0.175 3.939 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.323 -1.109 5.375 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.159 0.391 5.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.209 -0.793 3.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.575 0.681 3.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.766 -0.772 3.011 1.00 0.00 H new ATOM 1095 N SER A 70 -6.176 2.837 6.416 1.00 0.00 N ATOM 1096 CA SER A 70 -5.661 3.985 7.145 1.00 0.00 C ATOM 1097 C SER A 70 -4.282 4.382 6.628 1.00 0.00 C ATOM 1098 O SER A 70 -3.245 4.189 7.264 1.00 0.00 O ATOM 1099 CB SER A 70 -5.678 3.691 8.644 1.00 0.00 C ATOM 1100 OG SER A 70 -5.044 4.699 9.390 1.00 0.00 O ATOM 0 H SER A 70 -5.754 1.956 6.708 1.00 0.00 H new ATOM 0 HA SER A 70 -6.305 4.848 6.976 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.710 3.587 8.980 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.184 2.738 8.831 1.00 0.00 H new ATOM 0 HG SER A 70 -5.079 4.472 10.343 1.00 0.00 H new ATOM 1106 N VAL A 71 -4.265 5.008 5.453 1.00 0.00 N ATOM 1107 CA VAL A 71 -3.015 5.511 4.865 1.00 0.00 C ATOM 1108 C VAL A 71 -3.017 7.034 4.762 1.00 0.00 C ATOM 1109 O VAL A 71 -1.995 7.664 4.487 1.00 0.00 O ATOM 1110 CB VAL A 71 -2.776 4.842 3.510 1.00 0.00 C ATOM 1111 CG1 VAL A 71 -3.125 5.768 2.371 1.00 0.00 C ATOM 1112 CG2 VAL A 71 -1.335 4.412 3.319 1.00 0.00 C ATOM 0 H VAL A 71 -5.096 5.181 4.888 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.187 5.251 5.524 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.421 3.963 3.505 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.944 5.262 1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.176 6.047 2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.507 6.664 2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.222 3.943 2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.684 5.284 3.381 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.062 3.699 4.097 1.00 0.00 H new ATOM 1122 N ARG A 72 -4.179 7.641 4.998 1.00 0.00 N ATOM 1123 CA ARG A 72 -4.376 9.088 4.988 1.00 0.00 C ATOM 1124 C ARG A 72 -5.266 9.547 6.126 1.00 0.00 C ATOM 1125 O ARG A 72 -5.893 10.601 6.044 1.00 0.00 O ATOM 1126 CB ARG A 72 -4.917 9.497 3.611 1.00 0.00 C ATOM 1127 CG ARG A 72 -3.925 10.383 2.862 1.00 0.00 C ATOM 1128 CD ARG A 72 -4.429 11.827 2.793 1.00 0.00 C ATOM 1129 NE ARG A 72 -4.840 12.191 1.427 1.00 0.00 N ATOM 1130 CZ ARG A 72 -5.061 13.420 0.999 1.00 0.00 C ATOM 1131 NH1 ARG A 72 -4.994 14.442 1.802 1.00 0.00 N ATOM 1132 NH2 ARG A 72 -5.361 13.622 -0.249 1.00 0.00 N ATOM 0 H ARG A 72 -5.033 7.124 5.207 1.00 0.00 H new ATOM 0 HA ARG A 72 -3.422 9.588 5.153 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.127 8.605 3.021 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.861 10.028 3.733 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.957 10.355 3.361 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.775 9.997 1.854 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.272 11.952 3.473 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.644 12.504 3.130 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.964 11.432 0.757 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.766 14.303 2.787 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.169 15.382 1.447 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.425 12.833 -0.892 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.533 14.570 -0.585 1.00 0.00 H new ATOM 1146 N VAL A 73 -5.367 8.730 7.165 1.00 0.00 N ATOM 1147 CA VAL A 73 -6.187 9.017 8.322 1.00 0.00 C ATOM 1148 C VAL A 73 -5.384 8.747 9.576 1.00 0.00 C ATOM 1149 O VAL A 73 -4.714 7.730 9.681 1.00 0.00 O ATOM 1150 CB VAL A 73 -7.498 8.226 8.231 1.00 0.00 C ATOM 1151 CG1 VAL A 73 -7.318 6.717 8.353 1.00 0.00 C ATOM 1152 CG2 VAL A 73 -8.485 8.711 9.292 1.00 0.00 C ATOM 0 H VAL A 73 -4.874 7.839 7.224 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.473 10.068 8.358 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.890 8.414 7.231 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.289 6.228 8.279 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.671 6.362 7.551 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.865 6.481 9.316 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.411 8.141 9.215 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.053 8.570 10.283 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.697 9.769 9.136 1.00 0.00 H new ATOM 1162 N GLN A 74 -5.410 9.699 10.493 1.00 0.00 N ATOM 1163 CA GLN A 74 -4.717 9.577 11.771 1.00 0.00 C ATOM 1164 C GLN A 74 -5.676 9.843 12.933 1.00 0.00 C ATOM 1165 O GLN A 74 -5.289 10.327 13.985 1.00 0.00 O ATOM 1166 CB GLN A 74 -3.463 10.472 11.763 1.00 0.00 C ATOM 1167 CG GLN A 74 -2.180 9.632 11.660 1.00 0.00 C ATOM 1168 CD GLN A 74 -1.073 10.129 12.581 1.00 0.00 C ATOM 1169 OE1 GLN A 74 -0.953 11.292 12.913 1.00 0.00 O ATOM 1170 NE2 GLN A 74 -0.219 9.229 13.017 1.00 0.00 N ATOM 0 H GLN A 74 -5.911 10.580 10.376 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.366 8.556 11.919 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.514 11.166 10.924 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -3.436 11.072 12.673 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.410 8.595 11.903 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.823 9.647 10.630 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.320 8.253 12.738 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.544 9.507 13.634 1.00 0.00 H new ATOM 1179 N GLY A 75 -6.959 9.542 12.727 1.00 0.00 N ATOM 1180 CA GLY A 75 -7.972 9.811 13.742 1.00 0.00 C ATOM 1181 C GLY A 75 -8.482 11.241 13.656 1.00 0.00 C ATOM 1182 O GLY A 75 -8.753 11.869 14.664 1.00 0.00 O ATOM 0 H GLY A 75 -7.317 9.115 11.873 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.805 9.119 13.619 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -7.553 9.632 14.732 1.00 0.00 H new ATOM 1186 N GLN A 76 -8.609 11.762 12.434 1.00 0.00 N ATOM 1187 CA GLN A 76 -9.112 13.112 12.185 1.00 0.00 C ATOM 1188 C GLN A 76 -9.515 13.295 10.710 1.00 0.00 C ATOM 1189 O GLN A 76 -9.393 14.366 10.122 1.00 0.00 O ATOM 1190 CB GLN A 76 -8.035 14.130 12.593 1.00 0.00 C ATOM 1191 CG GLN A 76 -8.706 15.413 13.098 1.00 0.00 C ATOM 1192 CD GLN A 76 -7.950 16.680 12.720 1.00 0.00 C ATOM 1193 OE1 GLN A 76 -6.808 16.688 12.298 1.00 0.00 O ATOM 1194 NE2 GLN A 76 -8.603 17.811 12.824 1.00 0.00 N ATOM 0 H GLN A 76 -8.364 11.254 11.584 1.00 0.00 H new ATOM 0 HA GLN A 76 -10.009 13.275 12.783 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.399 13.709 13.372 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.391 14.355 11.742 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -9.717 15.468 12.695 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.798 15.363 14.183 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.560 17.817 13.176 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.154 18.686 12.553 1.00 0.00 H new ATOM 1203 N HIS A 77 -9.912 12.203 10.047 1.00 0.00 N ATOM 1204 CA HIS A 77 -10.344 12.233 8.652 1.00 0.00 C ATOM 1205 C HIS A 77 -11.777 11.716 8.555 1.00 0.00 C ATOM 1206 O HIS A 77 -12.628 12.056 9.360 1.00 0.00 O ATOM 1207 CB HIS A 77 -9.317 11.486 7.791 1.00 0.00 C ATOM 1208 CG HIS A 77 -9.299 11.948 6.374 1.00 0.00 C ATOM 1209 ND1 HIS A 77 -9.810 11.296 5.291 1.00 0.00 N flip ATOM 1210 CD2 HIS A 77 -8.749 13.135 5.960 1.00 0.00 C flip ATOM 1211 CE1 HIS A 77 -9.565 12.101 4.198 1.00 0.00 C flip ATOM 1212 NE2 HIS A 77 -8.918 13.206 4.627 1.00 0.00 N flip ATOM 0 H HIS A 77 -9.942 11.274 10.467 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.376 13.248 8.256 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -8.325 11.617 8.223 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -9.537 10.419 7.817 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -8.270 13.873 6.586 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -9.842 11.885 3.177 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -8.606 13.974 4.033 1.00 0.00 H new ATOM 1221 N GLY A 78 -12.028 10.871 7.569 1.00 0.00 N ATOM 1222 CA GLY A 78 -13.317 10.273 7.316 1.00 0.00 C ATOM 1223 C GLY A 78 -13.326 9.452 6.028 1.00 0.00 C ATOM 1224 O GLY A 78 -12.277 9.225 5.404 1.00 0.00 O ATOM 0 H GLY A 78 -11.313 10.576 6.904 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.591 9.633 8.155 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.073 11.056 7.252 1.00 0.00 H new ATOM 1228 N PRO A 79 -14.501 8.964 5.635 1.00 0.00 N ATOM 1229 CA PRO A 79 -14.668 8.161 4.435 1.00 0.00 C ATOM 1230 C PRO A 79 -14.582 9.014 3.179 1.00 0.00 C ATOM 1231 O PRO A 79 -15.508 9.752 2.878 1.00 0.00 O ATOM 1232 CB PRO A 79 -16.043 7.512 4.559 1.00 0.00 C ATOM 1233 CG PRO A 79 -16.800 8.327 5.611 1.00 0.00 C ATOM 1234 CD PRO A 79 -15.763 9.198 6.315 1.00 0.00 C ATOM 0 HA PRO A 79 -13.877 7.416 4.347 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -16.568 7.524 3.604 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -15.956 6.468 4.862 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -17.570 8.941 5.145 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -17.302 7.671 6.322 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -16.042 10.251 6.265 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.689 8.937 7.371 1.00 0.00 H new ATOM 1242 N PHE A 80 -13.435 8.952 2.495 1.00 0.00 N ATOM 1243 CA PHE A 80 -13.182 9.751 1.294 1.00 0.00 C ATOM 1244 C PHE A 80 -11.799 9.479 0.718 1.00 0.00 C ATOM 1245 O PHE A 80 -11.611 9.179 -0.455 1.00 0.00 O ATOM 1246 CB PHE A 80 -13.231 11.247 1.667 1.00 0.00 C ATOM 1247 CG PHE A 80 -13.903 12.092 0.620 1.00 0.00 C ATOM 1248 CD1 PHE A 80 -15.307 12.214 0.615 1.00 0.00 C ATOM 1249 CD2 PHE A 80 -13.117 12.765 -0.330 1.00 0.00 C ATOM 1250 CE1 PHE A 80 -15.926 13.027 -0.348 1.00 0.00 C ATOM 1251 CE2 PHE A 80 -13.739 13.578 -1.290 1.00 0.00 C ATOM 1252 CZ PHE A 80 -15.139 13.707 -1.297 1.00 0.00 C ATOM 0 H PHE A 80 -12.657 8.347 2.759 1.00 0.00 H new ATOM 0 HA PHE A 80 -13.940 9.486 0.557 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.759 11.363 2.613 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -12.215 11.611 1.822 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -15.902 11.686 1.346 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -12.042 12.658 -0.322 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -17.001 13.130 -0.361 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -13.143 14.103 -2.022 1.00 0.00 H new ATOM 0 HZ PHE A 80 -15.615 14.333 -2.037 1.00 0.00 H new ATOM 1262 N GLN A 81 -10.787 9.590 1.587 1.00 0.00 N ATOM 1263 CA GLN A 81 -9.408 9.316 1.221 1.00 0.00 C ATOM 1264 C GLN A 81 -9.320 7.942 0.632 1.00 0.00 C ATOM 1265 O GLN A 81 -8.886 7.898 -0.498 1.00 0.00 O ATOM 1266 CB GLN A 81 -8.445 9.491 2.392 1.00 0.00 C ATOM 1267 CG GLN A 81 -8.833 8.660 3.638 1.00 0.00 C ATOM 1268 CD GLN A 81 -8.155 7.307 3.755 1.00 0.00 C ATOM 1269 OE1 GLN A 81 -6.975 7.131 3.553 1.00 0.00 O ATOM 1270 NE2 GLN A 81 -8.915 6.301 4.076 1.00 0.00 N ATOM 0 H GLN A 81 -10.909 9.872 2.560 1.00 0.00 H new ATOM 0 HA GLN A 81 -9.099 10.048 0.475 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -7.442 9.207 2.073 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.406 10.545 2.666 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -8.600 9.243 4.529 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.912 8.507 3.630 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.910 6.448 4.247 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -8.516 5.366 4.157 1.00 0.00 H new ATOM 1279 N SER A 82 -9.783 6.903 1.351 1.00 0.00 N ATOM 1280 CA SER A 82 -9.684 5.483 1.014 1.00 0.00 C ATOM 1281 C SER A 82 -10.060 5.313 -0.408 1.00 0.00 C ATOM 1282 O SER A 82 -9.234 4.779 -1.099 1.00 0.00 O ATOM 1283 CB SER A 82 -10.612 4.590 1.826 1.00 0.00 C ATOM 1284 OG SER A 82 -9.938 3.980 2.903 1.00 0.00 O ATOM 0 H SER A 82 -10.266 7.049 2.238 1.00 0.00 H new ATOM 0 HA SER A 82 -8.658 5.186 1.231 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.445 5.181 2.206 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.035 3.821 1.179 1.00 0.00 H new ATOM 0 HG SER A 82 -10.590 3.687 3.573 1.00 0.00 H new ATOM 1290 N THR A 83 -11.210 5.835 -0.839 1.00 0.00 N ATOM 1291 CA THR A 83 -11.617 5.830 -2.247 1.00 0.00 C ATOM 1292 C THR A 83 -10.433 6.078 -3.189 1.00 0.00 C ATOM 1293 O THR A 83 -9.921 5.173 -3.844 1.00 0.00 O ATOM 1294 CB THR A 83 -12.770 6.832 -2.466 1.00 0.00 C ATOM 1295 OG1 THR A 83 -13.938 6.076 -2.457 1.00 0.00 O ATOM 1296 CG2 THR A 83 -12.718 7.668 -3.752 1.00 0.00 C ATOM 0 H THR A 83 -11.889 6.276 -0.218 1.00 0.00 H new ATOM 0 HA THR A 83 -11.987 4.835 -2.497 1.00 0.00 H new ATOM 0 HB THR A 83 -12.703 7.577 -1.673 1.00 0.00 H new ATOM 0 HG1 THR A 83 -14.710 6.665 -2.591 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.581 8.332 -3.789 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.803 8.261 -3.764 1.00 0.00 H new ATOM 0 HG23 THR A 83 -12.732 7.006 -4.617 1.00 0.00 H new ATOM 1304 N ARG A 84 -9.908 7.308 -3.192 1.00 0.00 N ATOM 1305 CA ARG A 84 -8.831 7.672 -4.095 1.00 0.00 C ATOM 1306 C ARG A 84 -7.556 6.999 -3.690 1.00 0.00 C ATOM 1307 O ARG A 84 -6.851 6.516 -4.547 1.00 0.00 O ATOM 1308 CB ARG A 84 -8.629 9.173 -4.108 1.00 0.00 C ATOM 1309 CG ARG A 84 -7.863 9.561 -5.378 1.00 0.00 C ATOM 1310 CD ARG A 84 -8.125 11.034 -5.714 1.00 0.00 C ATOM 1311 NE ARG A 84 -6.869 11.749 -5.992 1.00 0.00 N ATOM 1312 CZ ARG A 84 -6.078 12.294 -5.092 1.00 0.00 C ATOM 1313 NH1 ARG A 84 -6.383 12.251 -3.827 1.00 0.00 N ATOM 1314 NH2 ARG A 84 -4.968 12.882 -5.436 1.00 0.00 N ATOM 0 H ARG A 84 -10.216 8.061 -2.577 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.106 7.342 -5.097 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -9.592 9.683 -4.078 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.075 9.486 -3.223 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.795 9.396 -5.234 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.174 8.928 -6.209 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.783 11.100 -6.580 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.643 11.513 -4.883 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.586 11.829 -6.969 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.242 11.792 -3.525 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.763 12.677 -3.138 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.698 12.926 -6.419 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.369 13.298 -4.723 1.00 0.00 H new ATOM 1328 N ILE A 85 -7.229 7.015 -2.408 1.00 0.00 N ATOM 1329 CA ILE A 85 -6.077 6.369 -1.792 1.00 0.00 C ATOM 1330 C ILE A 85 -5.861 4.979 -2.361 1.00 0.00 C ATOM 1331 O ILE A 85 -4.795 4.689 -2.900 1.00 0.00 O ATOM 1332 CB ILE A 85 -6.234 6.329 -0.260 1.00 0.00 C ATOM 1333 CG1 ILE A 85 -5.773 7.673 0.322 1.00 0.00 C ATOM 1334 CG2 ILE A 85 -5.517 5.128 0.357 1.00 0.00 C ATOM 1335 CD1 ILE A 85 -4.264 7.907 0.192 1.00 0.00 C ATOM 0 H ILE A 85 -7.798 7.512 -1.723 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.190 6.959 -2.025 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.284 6.190 -0.005 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -6.303 8.480 -0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.051 7.719 1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.654 5.139 1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.932 4.207 -0.052 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.453 5.181 0.125 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.007 8.875 0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.727 7.120 0.721 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.983 7.893 -0.861 1.00 0.00 H new ATOM 1347 N TYR A 86 -6.896 4.150 -2.274 1.00 0.00 N ATOM 1348 CA TYR A 86 -6.974 2.823 -2.823 1.00 0.00 C ATOM 1349 C TYR A 86 -6.736 2.877 -4.294 1.00 0.00 C ATOM 1350 O TYR A 86 -5.962 2.063 -4.731 1.00 0.00 O ATOM 1351 CB TYR A 86 -8.357 2.215 -2.612 1.00 0.00 C ATOM 1352 CG TYR A 86 -8.475 1.360 -1.380 1.00 0.00 C ATOM 1353 CD1 TYR A 86 -8.211 1.916 -0.119 1.00 0.00 C ATOM 1354 CD2 TYR A 86 -8.844 0.010 -1.508 1.00 0.00 C ATOM 1355 CE1 TYR A 86 -8.321 1.117 1.020 1.00 0.00 C ATOM 1356 CE2 TYR A 86 -8.953 -0.798 -0.365 1.00 0.00 C ATOM 1357 CZ TYR A 86 -8.674 -0.234 0.900 1.00 0.00 C ATOM 1358 OH TYR A 86 -8.869 -0.937 2.048 1.00 0.00 O ATOM 0 H TYR A 86 -7.751 4.415 -1.785 1.00 0.00 H new ATOM 0 HA TYR A 86 -6.223 2.216 -2.317 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.090 3.020 -2.553 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -8.614 1.613 -3.484 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -7.925 2.954 -0.031 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.044 -0.406 -2.485 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.134 1.541 1.996 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -9.245 -1.834 -0.451 1.00 0.00 H new ATOM 0 HH TYR A 86 -8.004 -1.230 2.403 1.00 0.00 H new ATOM 1368 N GLN A 87 -7.287 3.832 -5.041 1.00 0.00 N ATOM 1369 CA GLN A 87 -6.997 4.024 -6.465 1.00 0.00 C ATOM 1370 C GLN A 87 -5.500 4.228 -6.737 1.00 0.00 C ATOM 1371 O GLN A 87 -4.980 3.837 -7.787 1.00 0.00 O ATOM 1372 CB GLN A 87 -7.806 5.212 -7.013 1.00 0.00 C ATOM 1373 CG GLN A 87 -8.906 4.769 -7.973 1.00 0.00 C ATOM 1374 CD GLN A 87 -10.150 5.629 -7.785 1.00 0.00 C ATOM 1375 OE1 GLN A 87 -10.924 5.508 -6.862 1.00 0.00 O ATOM 1376 NE2 GLN A 87 -10.303 6.630 -8.610 1.00 0.00 N ATOM 0 H GLN A 87 -7.958 4.505 -4.671 1.00 0.00 H new ATOM 0 HA GLN A 87 -7.293 3.111 -6.981 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -8.251 5.760 -6.182 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -7.134 5.900 -7.526 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.554 4.847 -9.002 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -9.150 3.721 -7.798 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -9.661 6.748 -9.393 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -11.065 7.294 -8.471 1.00 0.00 H new ATOM 1385 N ILE A 88 -4.770 4.837 -5.817 1.00 0.00 N ATOM 1386 CA ILE A 88 -3.341 5.077 -5.980 1.00 0.00 C ATOM 1387 C ILE A 88 -2.567 3.816 -5.619 1.00 0.00 C ATOM 1388 O ILE A 88 -1.745 3.353 -6.408 1.00 0.00 O ATOM 1389 CB ILE A 88 -2.889 6.265 -5.119 1.00 0.00 C ATOM 1390 CG1 ILE A 88 -3.933 7.390 -5.090 1.00 0.00 C ATOM 1391 CG2 ILE A 88 -1.554 6.799 -5.647 1.00 0.00 C ATOM 1392 CD1 ILE A 88 -3.425 8.710 -4.529 1.00 0.00 C ATOM 0 H ILE A 88 -5.149 5.180 -4.935 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.138 5.327 -7.021 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.770 5.910 -4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.297 7.557 -6.104 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.786 7.062 -4.496 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.232 7.643 -5.036 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.803 6.010 -5.601 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.675 7.125 -6.680 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.229 9.446 -4.547 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -3.089 8.564 -3.502 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.593 9.067 -5.136 1.00 0.00 H new ATOM 1404 N ALA A 89 -2.891 3.195 -4.485 1.00 0.00 N ATOM 1405 CA ALA A 89 -2.347 1.900 -4.090 1.00 0.00 C ATOM 1406 C ALA A 89 -2.950 0.724 -4.874 1.00 0.00 C ATOM 1407 O ALA A 89 -2.627 -0.438 -4.652 1.00 0.00 O ATOM 1408 CB ALA A 89 -2.542 1.737 -2.586 1.00 0.00 C ATOM 0 H ALA A 89 -3.547 3.584 -3.808 1.00 0.00 H new ATOM 0 HA ALA A 89 -1.285 1.882 -4.334 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.142 0.774 -2.269 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.019 2.537 -2.062 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.605 1.783 -2.350 1.00 0.00 H new ATOM 1414 N LYS A 90 -3.832 1.010 -5.826 1.00 0.00 N ATOM 1415 CA LYS A 90 -4.477 0.025 -6.686 1.00 0.00 C ATOM 1416 C LYS A 90 -3.570 -0.238 -7.863 1.00 0.00 C ATOM 1417 O LYS A 90 -3.561 -1.327 -8.412 1.00 0.00 O ATOM 1418 CB LYS A 90 -5.872 0.531 -7.115 1.00 0.00 C ATOM 1419 CG LYS A 90 -6.338 0.006 -8.453 1.00 0.00 C ATOM 1420 CD LYS A 90 -5.797 0.880 -9.589 1.00 0.00 C ATOM 1421 CE LYS A 90 -6.839 1.899 -10.025 1.00 0.00 C ATOM 1422 NZ LYS A 90 -6.268 3.262 -10.037 1.00 0.00 N ATOM 0 H LYS A 90 -4.127 1.966 -6.026 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.636 -0.914 -6.156 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -6.599 0.248 -6.353 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -5.856 1.620 -7.151 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.001 -1.022 -8.585 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.427 -0.009 -8.485 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.893 1.394 -9.261 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -5.517 0.253 -10.436 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.208 1.646 -11.019 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.693 1.864 -9.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.929 3.911 -10.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.110 3.581 -9.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -5.363 3.255 -10.550 1.00 0.00 H new ATOM 1436 N ASN A 91 -2.816 0.780 -8.283 1.00 0.00 N ATOM 1437 CA ASN A 91 -1.860 0.636 -9.366 1.00 0.00 C ATOM 1438 C ASN A 91 -0.537 0.074 -8.855 1.00 0.00 C ATOM 1439 O ASN A 91 0.442 0.028 -9.586 1.00 0.00 O ATOM 1440 CB ASN A 91 -1.677 1.981 -10.068 1.00 0.00 C ATOM 1441 CG ASN A 91 -2.627 2.106 -11.228 1.00 0.00 C ATOM 1442 OD1 ASN A 91 -3.588 2.985 -11.112 1.00 0.00 O flip ATOM 1443 ND2 ASN A 91 -2.573 1.394 -12.207 1.00 0.00 N flip ATOM 0 H ASN A 91 -2.855 1.717 -7.882 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.244 -0.079 -10.093 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -1.849 2.793 -9.361 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.650 2.077 -10.420 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -1.824 0.708 -12.298 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -3.277 1.481 -12.940 1.00 0.00 H new ATOM 1450 N LEU A 92 -0.495 -0.341 -7.592 1.00 0.00 N ATOM 1451 CA LEU A 92 0.693 -0.934 -7.015 1.00 0.00 C ATOM 1452 C LEU A 92 0.871 -2.356 -7.528 1.00 0.00 C ATOM 1453 O LEU A 92 1.840 -2.610 -8.228 1.00 0.00 O ATOM 1454 CB LEU A 92 0.594 -0.892 -5.488 1.00 0.00 C ATOM 1455 CG LEU A 92 1.400 0.218 -4.842 1.00 0.00 C ATOM 1456 CD1 LEU A 92 1.076 0.260 -3.344 1.00 0.00 C ATOM 1457 CD2 LEU A 92 2.885 -0.037 -5.065 1.00 0.00 C ATOM 0 H LEU A 92 -1.283 -0.273 -6.948 1.00 0.00 H new ATOM 0 HA LEU A 92 1.573 -0.365 -7.315 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.453 -0.777 -5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.928 -1.849 -5.087 1.00 0.00 H new ATOM 0 HG LEU A 92 1.144 1.179 -5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.651 1.055 -2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.012 0.450 -3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.335 -0.696 -2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.465 0.761 -4.601 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.161 -0.993 -4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.093 -0.062 -6.135 1.00 0.00 H new ATOM 1469 N PRO A 93 -0.081 -3.280 -7.284 1.00 0.00 N ATOM 1470 CA PRO A 93 -0.008 -4.637 -7.808 1.00 0.00 C ATOM 1471 C PRO A 93 -0.227 -4.708 -9.315 1.00 0.00 C ATOM 1472 O PRO A 93 -0.221 -5.804 -9.854 1.00 0.00 O ATOM 1473 CB PRO A 93 -1.100 -5.426 -7.066 1.00 0.00 C ATOM 1474 CG PRO A 93 -2.079 -4.393 -6.520 1.00 0.00 C ATOM 1475 CD PRO A 93 -1.370 -3.060 -6.650 1.00 0.00 C ATOM 0 HA PRO A 93 0.989 -5.047 -7.647 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.603 -6.120 -7.739 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.670 -6.019 -6.259 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.012 -4.399 -7.084 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -2.333 -4.603 -5.481 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.970 -2.369 -7.242 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -1.236 -2.605 -5.668 1.00 0.00 H new ATOM 1483 N ASN A 94 -0.455 -3.577 -9.977 1.00 0.00 N ATOM 1484 CA ASN A 94 -0.597 -3.516 -11.422 1.00 0.00 C ATOM 1485 C ASN A 94 0.757 -3.364 -12.091 1.00 0.00 C ATOM 1486 O ASN A 94 1.046 -4.016 -13.086 1.00 0.00 O ATOM 1487 CB ASN A 94 -1.454 -2.308 -11.780 1.00 0.00 C ATOM 1488 CG ASN A 94 -2.907 -2.496 -11.413 1.00 0.00 C ATOM 1489 OD1 ASN A 94 -3.655 -1.432 -11.521 1.00 0.00 O flip ATOM 1490 ND2 ASN A 94 -3.389 -3.546 -11.031 1.00 0.00 N flip ATOM 0 H ASN A 94 -0.547 -2.671 -9.518 1.00 0.00 H new ATOM 0 HA ASN A 94 -1.061 -4.440 -11.768 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -1.065 -1.427 -11.269 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -1.375 -2.116 -12.850 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -2.802 -4.376 -10.948 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -4.380 -3.596 -10.794 1.00 0.00 H new ATOM 1497 N VAL A 95 1.596 -2.490 -11.541 1.00 0.00 N ATOM 1498 CA VAL A 95 2.938 -2.234 -12.075 1.00 0.00 C ATOM 1499 C VAL A 95 3.978 -3.075 -11.345 1.00 0.00 C ATOM 1500 O VAL A 95 5.109 -3.213 -11.789 1.00 0.00 O ATOM 1501 CB VAL A 95 3.273 -0.740 -11.988 1.00 0.00 C ATOM 1502 CG1 VAL A 95 4.549 -0.426 -12.783 1.00 0.00 C ATOM 1503 CG2 VAL A 95 2.093 0.117 -12.497 1.00 0.00 C ATOM 0 H VAL A 95 1.369 -1.938 -10.714 1.00 0.00 H new ATOM 0 HA VAL A 95 2.954 -2.523 -13.126 1.00 0.00 H new ATOM 0 HB VAL A 95 3.448 -0.491 -10.941 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.771 0.639 -12.710 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.382 -0.999 -12.375 1.00 0.00 H new ATOM 0 HG13 VAL A 95 4.401 -0.694 -13.829 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.353 1.173 -12.426 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.881 -0.136 -13.536 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.211 -0.081 -11.889 1.00 0.00 H new ATOM 1513 N CYS A 96 3.567 -3.720 -10.258 1.00 0.00 N ATOM 1514 CA CYS A 96 4.401 -4.611 -9.479 1.00 0.00 C ATOM 1515 C CYS A 96 3.658 -5.911 -9.297 1.00 0.00 C ATOM 1516 O CYS A 96 3.597 -6.366 -8.177 1.00 0.00 O ATOM 1517 CB CYS A 96 4.786 -3.951 -8.147 1.00 0.00 C ATOM 1518 SG CYS A 96 5.958 -2.601 -8.385 1.00 0.00 S ATOM 0 H CYS A 96 2.620 -3.631 -9.890 1.00 0.00 H new ATOM 0 HA CYS A 96 5.338 -4.821 -9.995 1.00 0.00 H new ATOM 0 HB2 CYS A 96 3.890 -3.572 -7.656 1.00 0.00 H new ATOM 0 HB3 CYS A 96 5.221 -4.698 -7.483 1.00 0.00 H new ATOM 1523 N ASN A 97 3.050 -6.478 -10.349 1.00 0.00 N ATOM 1524 CA ASN A 97 2.321 -7.753 -10.316 1.00 0.00 C ATOM 1525 C ASN A 97 2.944 -8.717 -9.319 1.00 0.00 C ATOM 1526 O ASN A 97 3.917 -9.397 -9.616 1.00 0.00 O ATOM 1527 CB ASN A 97 2.301 -8.421 -11.691 1.00 0.00 C ATOM 1528 CG ASN A 97 1.149 -7.960 -12.536 1.00 0.00 C ATOM 1529 OD1 ASN A 97 0.143 -8.630 -12.676 1.00 0.00 O ATOM 1530 ND2 ASN A 97 1.275 -6.784 -13.086 1.00 0.00 N ATOM 0 H ASN A 97 3.052 -6.048 -11.274 1.00 0.00 H new ATOM 0 HA ASN A 97 1.300 -7.521 -10.012 1.00 0.00 H new ATOM 0 HB2 ASN A 97 3.236 -8.207 -12.209 1.00 0.00 H new ATOM 0 HB3 ASN A 97 2.246 -9.502 -11.566 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.517 -6.402 -13.652 1.00 0.00 H new ATOM 0 HD22 ASN A 97 2.131 -6.246 -12.950 1.00 0.00 H new ATOM 1537 N MET A 98 2.355 -8.763 -8.130 1.00 0.00 N ATOM 1538 CA MET A 98 2.891 -9.514 -7.015 1.00 0.00 C ATOM 1539 C MET A 98 1.870 -10.523 -6.576 1.00 0.00 C ATOM 1540 O MET A 98 1.848 -10.978 -5.456 1.00 0.00 O ATOM 1541 CB MET A 98 3.408 -8.596 -5.909 1.00 0.00 C ATOM 1542 CG MET A 98 2.284 -7.716 -5.390 1.00 0.00 C ATOM 1543 SD MET A 98 2.580 -5.940 -5.556 1.00 0.00 S ATOM 1544 CE MET A 98 1.214 -5.284 -4.621 1.00 0.00 C ATOM 0 H MET A 98 1.485 -8.274 -7.917 1.00 0.00 H new ATOM 0 HA MET A 98 3.777 -10.071 -7.321 1.00 0.00 H new ATOM 0 HB2 MET A 98 3.819 -9.192 -5.094 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.219 -7.976 -6.291 1.00 0.00 H new ATOM 0 HG2 MET A 98 1.367 -7.969 -5.922 1.00 0.00 H new ATOM 0 HG3 MET A 98 2.116 -7.946 -4.338 1.00 0.00 H new ATOM 0 HE1 MET A 98 0.712 -4.511 -5.203 1.00 0.00 H new ATOM 0 HE2 MET A 98 0.509 -6.084 -4.397 1.00 0.00 H new ATOM 0 HE3 MET A 98 1.583 -4.854 -3.690 1.00 0.00 H new ATOM 1554 N LYS A 99 0.908 -10.844 -7.420 1.00 0.00 N ATOM 1555 CA LYS A 99 -0.129 -11.797 -7.071 1.00 0.00 C ATOM 1556 C LYS A 99 -0.620 -12.323 -8.388 1.00 0.00 C ATOM 1557 O LYS A 99 -1.428 -11.673 -9.039 1.00 0.00 O ATOM 1558 CB LYS A 99 -1.166 -11.097 -6.186 1.00 0.00 C ATOM 1559 CG LYS A 99 -2.566 -11.731 -6.246 1.00 0.00 C ATOM 1560 CD LYS A 99 -3.665 -10.687 -6.412 1.00 0.00 C ATOM 1561 CE LYS A 99 -3.374 -9.674 -7.533 1.00 0.00 C ATOM 1562 NZ LYS A 99 -3.149 -8.326 -6.959 1.00 0.00 N ATOM 0 H LYS A 99 0.823 -10.455 -8.359 1.00 0.00 H new ATOM 0 HA LYS A 99 0.193 -12.647 -6.469 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.816 -11.110 -5.154 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.238 -10.051 -6.485 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.608 -12.436 -7.076 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.744 -12.301 -5.334 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.608 -11.192 -6.623 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.794 -10.151 -5.471 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -2.496 -9.988 -8.098 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.209 -9.645 -8.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.514 -7.605 -7.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.645 -8.249 -6.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -2.130 -8.177 -6.812 1.00 0.00 H new ATOM 1576 N GLN A 100 -0.142 -13.505 -8.740 1.00 0.00 N ATOM 1577 CA GLN A 100 -0.647 -14.227 -9.905 1.00 0.00 C ATOM 1578 C GLN A 100 -1.805 -15.168 -9.537 1.00 0.00 C ATOM 1579 O GLN A 100 -2.099 -16.139 -10.207 1.00 0.00 O ATOM 1580 CB GLN A 100 0.522 -14.952 -10.575 1.00 0.00 C ATOM 1581 CG GLN A 100 0.320 -14.992 -12.097 1.00 0.00 C ATOM 1582 CD GLN A 100 -0.578 -16.130 -12.558 1.00 0.00 C ATOM 1583 OE1 GLN A 100 -1.700 -15.942 -12.991 1.00 0.00 O ATOM 1584 NE2 GLN A 100 -0.084 -17.343 -12.473 1.00 0.00 N ATOM 0 H GLN A 100 0.599 -13.990 -8.235 1.00 0.00 H new ATOM 0 HA GLN A 100 -1.072 -13.522 -10.619 1.00 0.00 H new ATOM 0 HB2 GLN A 100 1.457 -14.445 -10.338 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.602 -15.967 -10.185 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.109 -14.045 -12.424 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.291 -15.086 -12.583 1.00 0.00 H new ATOM 0 HE21 GLN A 100 0.858 -17.486 -12.108 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -0.642 -18.143 -12.772 1.00 0.00 H new ATOM 1593 N ILE A 101 -2.423 -14.961 -8.387 1.00 0.00 N ATOM 1594 CA ILE A 101 -3.512 -15.803 -7.903 1.00 0.00 C ATOM 1595 C ILE A 101 -4.796 -14.991 -8.039 1.00 0.00 C ATOM 1596 O ILE A 101 -5.570 -15.187 -8.962 1.00 0.00 O ATOM 1597 CB ILE A 101 -3.184 -16.358 -6.496 1.00 0.00 C ATOM 1598 CG1 ILE A 101 -4.475 -16.595 -5.679 1.00 0.00 C ATOM 1599 CG2 ILE A 101 -2.190 -15.468 -5.719 1.00 0.00 C ATOM 1600 CD1 ILE A 101 -4.347 -17.742 -4.695 1.00 0.00 C ATOM 0 H ILE A 101 -2.183 -14.198 -7.754 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.653 -16.709 -8.492 1.00 0.00 H new ATOM 0 HB ILE A 101 -2.689 -17.317 -6.646 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -4.728 -15.684 -5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -5.299 -16.799 -6.362 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.997 -15.907 -4.740 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -1.255 -15.396 -6.275 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.615 -14.472 -5.593 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -5.284 -17.861 -4.151 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.122 -18.662 -5.235 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -3.543 -17.529 -3.991 1.00 0.00 H new ATOM 1612 N GLY A 102 -5.022 -14.063 -7.107 1.00 0.00 N ATOM 1613 CA GLY A 102 -6.286 -13.336 -7.026 1.00 0.00 C ATOM 1614 C GLY A 102 -6.773 -13.178 -5.594 1.00 0.00 C ATOM 1615 O GLY A 102 -7.784 -13.722 -5.173 1.00 0.00 O ATOM 0 H GLY A 102 -4.341 -13.798 -6.395 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.165 -12.351 -7.477 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.043 -13.862 -7.608 1.00 0.00 H new ATOM 1619 N THR A 103 -5.998 -12.464 -4.785 1.00 0.00 N ATOM 1620 CA THR A 103 -6.265 -12.282 -3.365 1.00 0.00 C ATOM 1621 C THR A 103 -7.133 -11.062 -3.142 1.00 0.00 C ATOM 1622 O THR A 103 -8.212 -11.195 -2.583 1.00 0.00 O ATOM 1623 CB THR A 103 -4.941 -12.168 -2.611 1.00 0.00 C ATOM 1624 OG1 THR A 103 -3.961 -12.972 -3.214 1.00 0.00 O ATOM 1625 CG2 THR A 103 -5.101 -12.711 -1.224 1.00 0.00 C ATOM 0 H THR A 103 -5.154 -11.988 -5.103 1.00 0.00 H new ATOM 0 HA THR A 103 -6.810 -13.145 -2.983 1.00 0.00 H new ATOM 0 HB THR A 103 -4.654 -11.116 -2.614 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.119 -12.887 -2.720 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.155 -12.628 -0.689 1.00 0.00 H new ATOM 0 HG22 THR A 103 -5.867 -12.142 -0.697 1.00 0.00 H new ATOM 0 HG23 THR A 103 -5.398 -13.758 -1.275 1.00 0.00 H new ATOM 1633 N CYS A 104 -6.691 -9.893 -3.612 1.00 0.00 N ATOM 1634 CA CYS A 104 -7.506 -8.681 -3.657 1.00 0.00 C ATOM 1635 C CYS A 104 -7.624 -8.193 -5.114 1.00 0.00 C ATOM 1636 O CYS A 104 -6.970 -7.237 -5.510 1.00 0.00 O ATOM 1637 CB CYS A 104 -6.889 -7.669 -2.679 1.00 0.00 C ATOM 1638 SG CYS A 104 -5.331 -6.906 -3.262 1.00 0.00 S ATOM 0 H CYS A 104 -5.747 -9.762 -3.975 1.00 0.00 H new ATOM 0 HA CYS A 104 -8.533 -8.851 -3.333 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -7.616 -6.880 -2.486 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -6.701 -8.169 -1.729 1.00 0.00 H new ATOM 1643 N PRO A 105 -8.356 -8.889 -5.993 1.00 0.00 N ATOM 1644 CA PRO A 105 -8.541 -8.458 -7.382 1.00 0.00 C ATOM 1645 C PRO A 105 -9.504 -7.258 -7.473 1.00 0.00 C ATOM 1646 O PRO A 105 -10.498 -7.269 -8.188 1.00 0.00 O ATOM 1647 CB PRO A 105 -9.036 -9.709 -8.116 1.00 0.00 C ATOM 1648 CG PRO A 105 -9.598 -10.635 -7.040 1.00 0.00 C ATOM 1649 CD PRO A 105 -9.091 -10.104 -5.709 1.00 0.00 C ATOM 0 HA PRO A 105 -7.624 -8.088 -7.839 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -9.801 -9.454 -8.849 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -8.222 -10.190 -8.659 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -10.688 -10.643 -7.065 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -9.268 -11.661 -7.200 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -9.921 -9.904 -5.032 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -8.450 -10.837 -5.220 1.00 0.00 H new ATOM 1657 N PHE A 106 -9.238 -6.232 -6.678 1.00 0.00 N ATOM 1658 CA PHE A 106 -10.010 -5.011 -6.641 1.00 0.00 C ATOM 1659 C PHE A 106 -9.408 -4.005 -7.589 1.00 0.00 C ATOM 1660 O PHE A 106 -8.207 -4.075 -7.841 1.00 0.00 O ATOM 1661 CB PHE A 106 -9.929 -4.434 -5.230 1.00 0.00 C ATOM 1662 CG PHE A 106 -8.797 -3.429 -4.999 1.00 0.00 C ATOM 1663 CD1 PHE A 106 -7.459 -3.853 -4.876 1.00 0.00 C ATOM 1664 CD2 PHE A 106 -9.092 -2.059 -5.016 1.00 0.00 C ATOM 1665 CE1 PHE A 106 -6.429 -2.915 -4.698 1.00 0.00 C ATOM 1666 CE2 PHE A 106 -8.073 -1.116 -4.825 1.00 0.00 C ATOM 1667 CZ PHE A 106 -6.751 -1.551 -4.628 1.00 0.00 C ATOM 0 H PHE A 106 -8.455 -6.232 -6.024 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.042 -5.220 -6.923 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -10.877 -3.948 -4.999 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -9.812 -5.257 -4.525 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -7.224 -4.906 -4.919 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.108 -1.729 -5.177 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -5.402 -3.239 -4.616 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -8.302 -0.061 -4.829 1.00 0.00 H new ATOM 0 HZ PHE A 106 -5.976 -0.828 -4.421 1.00 0.00 H new ATOM 1677 N ILE A 107 -10.226 -3.043 -8.022 1.00 0.00 N ATOM 1678 CA ILE A 107 -9.873 -2.013 -9.004 1.00 0.00 C ATOM 1679 C ILE A 107 -11.081 -1.209 -9.447 1.00 0.00 C ATOM 1680 O ILE A 107 -10.937 0.000 -9.587 1.00 0.00 O ATOM 1681 CB ILE A 107 -9.206 -2.604 -10.278 1.00 0.00 C ATOM 1682 CG1 ILE A 107 -9.664 -4.062 -10.575 1.00 0.00 C ATOM 1683 CG2 ILE A 107 -7.673 -2.496 -10.166 1.00 0.00 C ATOM 1684 CD1 ILE A 107 -9.706 -4.359 -12.054 1.00 0.00 C ATOM 0 H ILE A 107 -11.186 -2.956 -7.688 1.00 0.00 H new ATOM 0 HA ILE A 107 -9.163 -1.367 -8.488 1.00 0.00 H new ATOM 0 HB ILE A 107 -9.537 -2.012 -11.132 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -8.985 -4.760 -10.086 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -10.653 -4.224 -10.146 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -7.213 -2.912 -11.062 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -7.388 -1.449 -10.065 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -7.332 -3.051 -9.292 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -10.031 -5.388 -12.209 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -10.405 -3.680 -12.542 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -8.712 -4.224 -12.481 1.00 0.00 H new ATOM 1696 N ALA A 108 -12.232 -1.860 -9.657 1.00 0.00 N ATOM 1697 CA ALA A 108 -13.521 -1.230 -9.961 1.00 0.00 C ATOM 1698 C ALA A 108 -14.120 -0.548 -8.714 1.00 0.00 C ATOM 1699 O ALA A 108 -15.202 -0.895 -8.241 1.00 0.00 O ATOM 1700 CB ALA A 108 -14.461 -2.297 -10.558 1.00 0.00 C ATOM 0 H ALA A 108 -12.292 -2.877 -9.618 1.00 0.00 H new ATOM 0 HA ALA A 108 -13.382 -0.437 -10.695 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -15.425 -1.844 -10.790 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -14.021 -2.700 -11.470 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -14.602 -3.102 -9.837 1.00 0.00 H new ATOM 1706 N ILE A 109 -13.340 0.346 -8.114 1.00 0.00 N ATOM 1707 CA ILE A 109 -13.740 1.150 -6.965 1.00 0.00 C ATOM 1708 C ILE A 109 -14.302 2.518 -7.401 1.00 0.00 C ATOM 1709 O ILE A 109 -14.603 3.300 -6.476 1.00 0.00 O ATOM 1710 CB ILE A 109 -12.567 1.261 -5.986 1.00 0.00 C ATOM 1711 CG1 ILE A 109 -11.370 2.012 -6.606 1.00 0.00 C ATOM 1712 CG2 ILE A 109 -12.124 -0.132 -5.498 1.00 0.00 C ATOM 1713 CD1 ILE A 109 -10.642 2.754 -5.493 1.00 0.00 C ATOM 1714 OXT ILE A 109 -14.364 2.761 -8.632 1.00 0.00 O ATOM 0 H ILE A 109 -12.386 0.536 -8.422 1.00 0.00 H new ATOM 0 HA ILE A 109 -14.558 0.655 -6.442 1.00 0.00 H new ATOM 0 HB ILE A 109 -12.918 1.839 -5.131 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -10.696 1.311 -7.099 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -11.714 2.712 -7.367 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -11.290 -0.026 -4.804 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -12.956 -0.622 -4.993 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -11.812 -0.734 -6.351 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -9.791 3.292 -5.911 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -11.323 3.462 -5.022 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -10.290 2.039 -4.749 1.00 0.00 H new TER 1726 ILE A 109