USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 922 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 GLN : amide:sc= 0 X(o=-2.1,f=-2.4) USER MOD Set 1.2: A 95 TYR OH : rot 0:sc= -2.1 USER MOD Set 2.1: A 29 ASN : amide:sc= 0.161 X(o=-2.1,f=-2.5) USER MOD Set 2.2: A 31 SER OG : rot -91:sc= 0.172 USER MOD Set 2.3: A 33 GLN : amide:sc= -2.44! C(o=-2.1!,f=-6.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.304 K(o=-0.3,f=-1.6!) USER MOD Single : A 10 MET CE :methyl -126:sc= -6.33! (180deg=-11.7!) USER MOD Single : A 13 MET CE :methyl -110:sc= -1.06 (180deg=-2.31!) USER MOD Single : A 15 CYS SG : rot 180:sc= -0.273 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -165:sc= -1.86 (180deg=-2.23) USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 0.159 (180deg=0.145) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc=-0.00233 X(o=-0.0023,f=-0.47) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 123:sc= -5.92! USER MOD Single : A 43 SER OG : rot -52:sc= 1.28 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS :FLIP no HD1:sc= -0.0708 F(o=-1.7,f=-0.071) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0217 USER MOD Single : A 71 GLN : amide:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 150:sc= 0.68 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS :FLIP no HD1:sc= -0.843 F(o=-1.3,f=-0.84) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.106 K(o=-0.11,f=-1.9!) USER MOD Single : A 93 LYS NZ :NH3+ -103:sc= -0.0285 (180deg=-1.46!) USER MOD Single : A 98 GLN : amide:sc= -1.95 K(o=-2,f=-5.2!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 173:sc= -5.4! (180deg=-5.65!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 1.08 K(o=1.1,f=-0.31) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 43:sc= 0.693 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.194 -22.150 2.661 1.00 0.00 N ATOM 2 CA GLY A 1 4.805 -23.548 2.726 1.00 0.00 C ATOM 3 C GLY A 1 3.320 -23.720 2.396 1.00 0.00 C ATOM 4 O GLY A 1 2.457 -23.314 3.173 1.00 0.00 O ATOM 0 H1 GLY A 1 6.205 -22.060 2.889 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.021 -21.786 1.702 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.635 -21.602 3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.406 -24.129 2.027 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.007 -23.940 3.723 1.00 0.00 H new ATOM 8 N SER A 2 3.069 -24.322 1.243 1.00 0.00 N ATOM 9 CA SER A 2 1.704 -24.552 0.801 1.00 0.00 C ATOM 10 C SER A 2 0.976 -23.217 0.634 1.00 0.00 C ATOM 11 O SER A 2 1.488 -22.172 1.033 1.00 0.00 O ATOM 12 CB SER A 2 0.950 -25.449 1.785 1.00 0.00 C ATOM 13 OG SER A 2 -0.216 -26.022 1.199 1.00 0.00 O ATOM 0 H SER A 2 3.788 -24.657 0.601 1.00 0.00 H new ATOM 0 HA SER A 2 1.738 -25.063 -0.161 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.611 -26.244 2.130 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.667 -24.867 2.662 1.00 0.00 H new ATOM 0 HG SER A 2 -0.668 -26.589 1.858 1.00 0.00 H new ATOM 19 N SER A 3 -0.208 -23.295 0.044 1.00 0.00 N ATOM 20 CA SER A 3 -1.012 -22.105 -0.180 1.00 0.00 C ATOM 21 C SER A 3 -2.478 -22.394 0.151 1.00 0.00 C ATOM 22 O SER A 3 -3.070 -21.726 0.997 1.00 0.00 O ATOM 23 CB SER A 3 -0.880 -21.616 -1.623 1.00 0.00 C ATOM 24 OG SER A 3 0.389 -21.018 -1.871 1.00 0.00 O ATOM 0 H SER A 3 -0.630 -24.163 -0.286 1.00 0.00 H new ATOM 0 HA SER A 3 -0.647 -21.316 0.477 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.025 -22.454 -2.304 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.668 -20.894 -1.834 1.00 0.00 H new ATOM 0 HG SER A 3 0.434 -20.721 -2.804 1.00 0.00 H new ATOM 30 N GLY A 4 -3.020 -23.390 -0.533 1.00 0.00 N ATOM 31 CA GLY A 4 -4.405 -23.776 -0.322 1.00 0.00 C ATOM 32 C GLY A 4 -5.356 -22.833 -1.063 1.00 0.00 C ATOM 33 O GLY A 4 -4.916 -21.876 -1.698 1.00 0.00 O ATOM 0 H GLY A 4 -2.525 -23.942 -1.234 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.558 -24.798 -0.668 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.632 -23.763 0.744 1.00 0.00 H new ATOM 37 N SER A 5 -6.641 -23.135 -0.956 1.00 0.00 N ATOM 38 CA SER A 5 -7.657 -22.326 -1.607 1.00 0.00 C ATOM 39 C SER A 5 -7.815 -20.994 -0.872 1.00 0.00 C ATOM 40 O SER A 5 -7.337 -20.839 0.250 1.00 0.00 O ATOM 41 CB SER A 5 -8.996 -23.064 -1.662 1.00 0.00 C ATOM 42 OG SER A 5 -9.504 -23.349 -0.362 1.00 0.00 O ATOM 0 H SER A 5 -7.002 -23.929 -0.428 1.00 0.00 H new ATOM 0 HA SER A 5 -7.337 -22.133 -2.631 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.720 -22.460 -2.209 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.874 -23.995 -2.215 1.00 0.00 H new ATOM 0 HG SER A 5 -10.360 -23.819 -0.441 1.00 0.00 H new ATOM 48 N SER A 6 -8.489 -20.065 -1.535 1.00 0.00 N ATOM 49 CA SER A 6 -8.716 -18.751 -0.959 1.00 0.00 C ATOM 50 C SER A 6 -7.384 -18.125 -0.543 1.00 0.00 C ATOM 51 O SER A 6 -6.351 -18.793 -0.548 1.00 0.00 O ATOM 52 CB SER A 6 -9.663 -18.832 0.240 1.00 0.00 C ATOM 53 OG SER A 6 -10.897 -19.460 -0.095 1.00 0.00 O ATOM 0 H SER A 6 -8.885 -20.197 -2.466 1.00 0.00 H new ATOM 0 HA SER A 6 -9.185 -18.122 -1.716 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.181 -19.386 1.045 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.858 -17.828 0.616 1.00 0.00 H new ATOM 0 HG SER A 6 -11.473 -19.494 0.697 1.00 0.00 H new ATOM 59 N GLY A 7 -7.451 -16.849 -0.192 1.00 0.00 N ATOM 60 CA GLY A 7 -6.262 -16.125 0.226 1.00 0.00 C ATOM 61 C GLY A 7 -6.632 -14.913 1.085 1.00 0.00 C ATOM 62 O GLY A 7 -7.803 -14.702 1.396 1.00 0.00 O ATOM 0 H GLY A 7 -8.309 -16.298 -0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.607 -16.789 0.790 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.704 -15.797 -0.651 1.00 0.00 H new ATOM 66 N GLU A 8 -5.611 -14.148 1.443 1.00 0.00 N ATOM 67 CA GLU A 8 -5.814 -12.964 2.260 1.00 0.00 C ATOM 68 C GLU A 8 -5.812 -11.709 1.384 1.00 0.00 C ATOM 69 O GLU A 8 -4.753 -11.236 0.973 1.00 0.00 O ATOM 70 CB GLU A 8 -4.755 -12.867 3.359 1.00 0.00 C ATOM 71 CG GLU A 8 -5.227 -13.560 4.638 1.00 0.00 C ATOM 72 CD GLU A 8 -4.049 -14.176 5.395 1.00 0.00 C ATOM 73 OE1 GLU A 8 -3.716 -15.338 5.079 1.00 0.00 O ATOM 74 OE2 GLU A 8 -3.507 -13.470 6.274 1.00 0.00 O ATOM 0 H GLU A 8 -4.641 -14.325 1.182 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.787 -13.044 2.746 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.827 -13.323 3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.537 -11.820 3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.739 -12.841 5.278 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.950 -14.337 4.389 1.00 0.00 H new ATOM 81 N GLN A 9 -7.010 -11.206 1.124 1.00 0.00 N ATOM 82 CA GLN A 9 -7.159 -10.015 0.304 1.00 0.00 C ATOM 83 C GLN A 9 -7.311 -8.777 1.190 1.00 0.00 C ATOM 84 O GLN A 9 -7.839 -8.862 2.297 1.00 0.00 O ATOM 85 CB GLN A 9 -8.345 -10.153 -0.652 1.00 0.00 C ATOM 86 CG GLN A 9 -8.220 -11.419 -1.502 1.00 0.00 C ATOM 87 CD GLN A 9 -9.463 -12.300 -1.360 1.00 0.00 C ATOM 88 OE1 GLN A 9 -10.170 -12.266 -0.366 1.00 0.00 O ATOM 89 NE2 GLN A 9 -9.689 -13.090 -2.406 1.00 0.00 N ATOM 0 H GLN A 9 -7.886 -11.601 1.466 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.259 -9.898 -0.300 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.274 -10.183 -0.083 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -8.397 -9.279 -1.301 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.081 -11.147 -2.548 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.336 -11.980 -1.198 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.057 -13.069 -3.207 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.494 -13.717 -2.407 1.00 0.00 H new ATOM 98 N MET A 10 -6.837 -7.654 0.669 1.00 0.00 N ATOM 99 CA MET A 10 -6.913 -6.400 1.398 1.00 0.00 C ATOM 100 C MET A 10 -6.950 -5.209 0.439 1.00 0.00 C ATOM 101 O MET A 10 -6.146 -5.130 -0.490 1.00 0.00 O ATOM 102 CB MET A 10 -5.701 -6.273 2.324 1.00 0.00 C ATOM 103 CG MET A 10 -5.680 -4.909 3.016 1.00 0.00 C ATOM 104 SD MET A 10 -5.227 -5.101 4.732 1.00 0.00 S ATOM 105 CE MET A 10 -5.399 -3.414 5.289 1.00 0.00 C ATOM 0 H MET A 10 -6.399 -7.587 -0.250 1.00 0.00 H new ATOM 0 HA MET A 10 -7.832 -6.398 1.985 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.727 -7.064 3.073 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.784 -6.407 1.750 1.00 0.00 H new ATOM 0 HG2 MET A 10 -4.971 -4.249 2.516 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.660 -4.439 2.941 1.00 0.00 H new ATOM 0 HE1 MET A 10 -4.473 -3.092 5.765 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.612 -2.769 4.436 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.217 -3.349 6.006 1.00 0.00 H new ATOM 115 N GLU A 11 -7.890 -4.312 0.696 1.00 0.00 N ATOM 116 CA GLU A 11 -8.042 -3.128 -0.133 1.00 0.00 C ATOM 117 C GLU A 11 -8.552 -1.955 0.705 1.00 0.00 C ATOM 118 O GLU A 11 -9.533 -2.089 1.435 1.00 0.00 O ATOM 119 CB GLU A 11 -8.972 -3.403 -1.316 1.00 0.00 C ATOM 120 CG GLU A 11 -10.230 -4.148 -0.863 1.00 0.00 C ATOM 121 CD GLU A 11 -9.927 -5.624 -0.597 1.00 0.00 C ATOM 122 OE1 GLU A 11 -9.162 -6.200 -1.401 1.00 0.00 O ATOM 123 OE2 GLU A 11 -10.466 -6.143 0.404 1.00 0.00 O ATOM 0 H GLU A 11 -8.554 -4.381 1.467 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.065 -2.862 -0.536 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.253 -2.462 -1.789 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.446 -3.993 -2.067 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.625 -3.685 0.041 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.002 -4.064 -1.628 1.00 0.00 H new ATOM 130 N GLY A 12 -7.865 -0.830 0.571 1.00 0.00 N ATOM 131 CA GLY A 12 -8.236 0.366 1.307 1.00 0.00 C ATOM 132 C GLY A 12 -7.414 1.572 0.846 1.00 0.00 C ATOM 133 O GLY A 12 -6.356 1.410 0.240 1.00 0.00 O ATOM 0 H GLY A 12 -7.053 -0.722 -0.037 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.297 0.570 1.165 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.082 0.203 2.374 1.00 0.00 H new ATOM 137 N MET A 13 -7.932 2.752 1.151 1.00 0.00 N ATOM 138 CA MET A 13 -7.259 3.984 0.775 1.00 0.00 C ATOM 139 C MET A 13 -5.878 4.075 1.426 1.00 0.00 C ATOM 140 O MET A 13 -5.758 4.015 2.649 1.00 0.00 O ATOM 141 CB MET A 13 -8.107 5.182 1.208 1.00 0.00 C ATOM 142 CG MET A 13 -9.128 5.550 0.129 1.00 0.00 C ATOM 143 SD MET A 13 -8.544 6.950 -0.811 1.00 0.00 S ATOM 144 CE MET A 13 -8.062 6.130 -2.321 1.00 0.00 C ATOM 0 H MET A 13 -8.810 2.882 1.654 1.00 0.00 H new ATOM 0 HA MET A 13 -7.131 3.990 -0.307 1.00 0.00 H new ATOM 0 HB2 MET A 13 -8.624 4.949 2.139 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.460 6.036 1.408 1.00 0.00 H new ATOM 0 HG2 MET A 13 -9.292 4.700 -0.533 1.00 0.00 H new ATOM 0 HG3 MET A 13 -10.087 5.785 0.590 1.00 0.00 H new ATOM 0 HE1 MET A 13 -6.976 6.139 -2.409 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.416 5.099 -2.304 1.00 0.00 H new ATOM 0 HE3 MET A 13 -8.500 6.650 -3.173 1.00 0.00 H new ATOM 154 N LEU A 14 -4.868 4.217 0.579 1.00 0.00 N ATOM 155 CA LEU A 14 -3.499 4.317 1.057 1.00 0.00 C ATOM 156 C LEU A 14 -2.734 5.321 0.193 1.00 0.00 C ATOM 157 O LEU A 14 -3.083 5.542 -0.965 1.00 0.00 O ATOM 158 CB LEU A 14 -2.849 2.933 1.112 1.00 0.00 C ATOM 159 CG LEU A 14 -2.548 2.388 2.510 1.00 0.00 C ATOM 160 CD1 LEU A 14 -3.812 2.365 3.373 1.00 0.00 C ATOM 161 CD2 LEU A 14 -1.883 1.013 2.431 1.00 0.00 C ATOM 0 H LEU A 14 -4.971 4.265 -0.435 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.479 4.695 2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.503 2.226 0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.916 2.969 0.549 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.840 3.061 2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.571 1.974 4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.205 3.377 3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.562 1.728 2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.680 0.649 3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.548 0.316 1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.947 1.093 1.878 1.00 0.00 H new ATOM 173 N CYS A 15 -1.705 5.904 0.791 1.00 0.00 N ATOM 174 CA CYS A 15 -0.888 6.880 0.091 1.00 0.00 C ATOM 175 C CYS A 15 0.318 6.154 -0.510 1.00 0.00 C ATOM 176 O CYS A 15 1.322 5.943 0.169 1.00 0.00 O ATOM 177 CB CYS A 15 -0.464 8.027 1.011 1.00 0.00 C ATOM 178 SG CYS A 15 -0.794 9.634 0.200 1.00 0.00 S ATOM 0 H CYS A 15 -1.419 5.719 1.752 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.470 7.339 -0.708 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.007 7.968 1.954 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.596 7.941 1.248 1.00 0.00 H new ATOM 0 HG CYS A 15 -0.432 10.601 0.990 1.00 0.00 H new ATOM 184 N ARG A 16 0.180 5.793 -1.777 1.00 0.00 N ATOM 185 CA ARG A 16 1.245 5.096 -2.477 1.00 0.00 C ATOM 186 C ARG A 16 2.188 6.099 -3.144 1.00 0.00 C ATOM 187 O ARG A 16 1.767 6.881 -3.995 1.00 0.00 O ATOM 188 CB ARG A 16 0.680 4.153 -3.541 1.00 0.00 C ATOM 189 CG ARG A 16 1.805 3.463 -4.316 1.00 0.00 C ATOM 190 CD ARG A 16 1.485 3.402 -5.811 1.00 0.00 C ATOM 191 NE ARG A 16 1.749 4.716 -6.438 1.00 0.00 N ATOM 192 CZ ARG A 16 1.732 4.934 -7.760 1.00 0.00 C ATOM 193 NH1 ARG A 16 1.462 3.927 -8.602 1.00 0.00 N ATOM 194 NH2 ARG A 16 1.984 6.159 -8.241 1.00 0.00 N ATOM 0 H ARG A 16 -0.654 5.970 -2.337 1.00 0.00 H new ATOM 0 HA ARG A 16 1.795 4.509 -1.742 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.047 3.403 -3.068 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.049 4.714 -4.231 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.740 4.001 -4.163 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.951 2.454 -3.930 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.091 2.633 -6.290 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.441 3.123 -5.957 1.00 0.00 H new ATOM 0 HE ARG A 16 1.957 5.505 -5.826 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.269 2.994 -8.237 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.449 4.093 -9.608 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.189 6.926 -7.601 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.971 6.324 -9.247 1.00 0.00 H new ATOM 208 N LYS A 17 3.446 6.045 -2.731 1.00 0.00 N ATOM 209 CA LYS A 17 4.452 6.940 -3.278 1.00 0.00 C ATOM 210 C LYS A 17 5.614 6.114 -3.834 1.00 0.00 C ATOM 211 O LYS A 17 6.384 5.528 -3.074 1.00 0.00 O ATOM 212 CB LYS A 17 4.876 7.972 -2.232 1.00 0.00 C ATOM 213 CG LYS A 17 5.886 8.962 -2.816 1.00 0.00 C ATOM 214 CD LYS A 17 6.999 9.267 -1.812 1.00 0.00 C ATOM 215 CE LYS A 17 8.338 9.472 -2.523 1.00 0.00 C ATOM 216 NZ LYS A 17 9.312 10.121 -1.618 1.00 0.00 N ATOM 0 H LYS A 17 3.791 5.396 -2.024 1.00 0.00 H new ATOM 0 HA LYS A 17 4.041 7.513 -4.109 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.000 8.511 -1.872 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.314 7.465 -1.372 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.317 8.551 -3.729 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.377 9.886 -3.092 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.745 10.161 -1.243 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.084 8.448 -1.098 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.729 8.511 -2.859 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.194 10.086 -3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.215 10.253 -2.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.944 11.046 -1.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.462 9.521 -0.782 1.00 0.00 H new ATOM 230 N GLN A 18 5.704 6.095 -5.156 1.00 0.00 N ATOM 231 CA GLN A 18 6.760 5.351 -5.823 1.00 0.00 C ATOM 232 C GLN A 18 8.118 6.003 -5.557 1.00 0.00 C ATOM 233 O GLN A 18 8.393 7.096 -6.050 1.00 0.00 O ATOM 234 CB GLN A 18 6.489 5.241 -7.325 1.00 0.00 C ATOM 235 CG GLN A 18 7.550 4.380 -8.012 1.00 0.00 C ATOM 236 CD GLN A 18 7.098 3.969 -9.415 1.00 0.00 C ATOM 237 OE1 GLN A 18 6.288 4.623 -10.051 1.00 0.00 O ATOM 238 NE2 GLN A 18 7.664 2.851 -9.860 1.00 0.00 N ATOM 0 H GLN A 18 5.064 6.582 -5.783 1.00 0.00 H new ATOM 0 HA GLN A 18 6.778 4.340 -5.416 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.502 4.808 -7.489 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.479 6.236 -7.770 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.487 4.933 -8.075 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.745 3.490 -7.413 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.335 2.352 -9.276 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.427 2.493 -10.785 1.00 0.00 H new ATOM 247 N GLU A 19 8.931 5.305 -4.778 1.00 0.00 N ATOM 248 CA GLU A 19 10.254 5.802 -4.441 1.00 0.00 C ATOM 249 C GLU A 19 11.253 5.444 -5.543 1.00 0.00 C ATOM 250 O GLU A 19 11.858 6.327 -6.149 1.00 0.00 O ATOM 251 CB GLU A 19 10.715 5.260 -3.087 1.00 0.00 C ATOM 252 CG GLU A 19 10.037 6.008 -1.937 1.00 0.00 C ATOM 253 CD GLU A 19 8.596 5.530 -1.746 1.00 0.00 C ATOM 254 OE1 GLU A 19 8.351 4.338 -2.032 1.00 0.00 O ATOM 255 OE2 GLU A 19 7.772 6.367 -1.319 1.00 0.00 O ATOM 0 H GLU A 19 8.699 4.399 -4.370 1.00 0.00 H new ATOM 0 HA GLU A 19 10.203 6.888 -4.363 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.485 4.197 -3.020 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.797 5.358 -3.001 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.600 5.854 -1.016 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.045 7.079 -2.140 1.00 0.00 H new ATOM 262 N MET A 20 11.395 4.146 -5.770 1.00 0.00 N ATOM 263 CA MET A 20 12.310 3.660 -6.789 1.00 0.00 C ATOM 264 C MET A 20 11.576 2.797 -7.818 1.00 0.00 C ATOM 265 O MET A 20 10.584 2.147 -7.494 1.00 0.00 O ATOM 266 CB MET A 20 13.418 2.838 -6.130 1.00 0.00 C ATOM 267 CG MET A 20 14.304 3.720 -5.247 1.00 0.00 C ATOM 268 SD MET A 20 15.393 4.703 -6.264 1.00 0.00 S ATOM 269 CE MET A 20 16.640 3.485 -6.649 1.00 0.00 C ATOM 0 H MET A 20 10.892 3.416 -5.266 1.00 0.00 H new ATOM 0 HA MET A 20 12.741 4.519 -7.304 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.977 2.042 -5.529 1.00 0.00 H new ATOM 0 HB3 MET A 20 14.026 2.359 -6.898 1.00 0.00 H new ATOM 0 HG2 MET A 20 13.684 4.370 -4.630 1.00 0.00 H new ATOM 0 HG3 MET A 20 14.889 3.099 -4.568 1.00 0.00 H new ATOM 0 HE1 MET A 20 17.524 3.983 -7.048 1.00 0.00 H new ATOM 0 HE2 MET A 20 16.908 2.940 -5.744 1.00 0.00 H new ATOM 0 HE3 MET A 20 16.251 2.788 -7.391 1.00 0.00 H new ATOM 279 N GLU A 21 12.093 2.819 -9.038 1.00 0.00 N ATOM 280 CA GLU A 21 11.500 2.047 -10.116 1.00 0.00 C ATOM 281 C GLU A 21 12.333 0.793 -10.391 1.00 0.00 C ATOM 282 O GLU A 21 11.898 -0.098 -11.119 1.00 0.00 O ATOM 283 CB GLU A 21 11.351 2.895 -11.381 1.00 0.00 C ATOM 284 CG GLU A 21 11.005 2.022 -12.589 1.00 0.00 C ATOM 285 CD GLU A 21 10.230 2.821 -13.639 1.00 0.00 C ATOM 286 OE1 GLU A 21 9.325 3.576 -13.223 1.00 0.00 O ATOM 287 OE2 GLU A 21 10.561 2.659 -14.833 1.00 0.00 O ATOM 0 H GLU A 21 12.916 3.360 -9.303 1.00 0.00 H new ATOM 0 HA GLU A 21 10.502 1.736 -9.808 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.571 3.642 -11.233 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.278 3.435 -11.572 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.920 1.626 -13.030 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.411 1.167 -12.266 1.00 0.00 H new ATOM 294 N ALA A 22 13.516 0.765 -9.795 1.00 0.00 N ATOM 295 CA ALA A 22 14.414 -0.365 -9.967 1.00 0.00 C ATOM 296 C ALA A 22 15.760 -0.045 -9.315 1.00 0.00 C ATOM 297 O ALA A 22 16.046 1.112 -9.009 1.00 0.00 O ATOM 298 CB ALA A 22 14.549 -0.687 -11.457 1.00 0.00 C ATOM 0 H ALA A 22 13.874 1.506 -9.193 1.00 0.00 H new ATOM 0 HA ALA A 22 14.013 -1.252 -9.477 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.222 -1.534 -11.587 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.570 -0.936 -11.866 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.951 0.180 -11.982 1.00 0.00 H new ATOM 304 N PHE A 23 16.551 -1.090 -9.121 1.00 0.00 N ATOM 305 CA PHE A 23 17.860 -0.934 -8.511 1.00 0.00 C ATOM 306 C PHE A 23 18.615 0.247 -9.125 1.00 0.00 C ATOM 307 O PHE A 23 19.053 0.179 -10.272 1.00 0.00 O ATOM 308 CB PHE A 23 18.639 -2.222 -8.789 1.00 0.00 C ATOM 309 CG PHE A 23 17.961 -3.486 -8.257 1.00 0.00 C ATOM 310 CD1 PHE A 23 17.680 -3.601 -6.931 1.00 0.00 C ATOM 311 CD2 PHE A 23 17.639 -4.495 -9.110 1.00 0.00 C ATOM 312 CE1 PHE A 23 17.051 -4.774 -6.437 1.00 0.00 C ATOM 313 CE2 PHE A 23 17.010 -5.669 -8.616 1.00 0.00 C ATOM 314 CZ PHE A 23 16.730 -5.783 -7.290 1.00 0.00 C ATOM 0 H PHE A 23 16.310 -2.048 -9.376 1.00 0.00 H new ATOM 0 HA PHE A 23 17.752 -0.745 -7.443 1.00 0.00 H new ATOM 0 HB2 PHE A 23 18.781 -2.324 -9.865 1.00 0.00 H new ATOM 0 HB3 PHE A 23 19.630 -2.139 -8.343 1.00 0.00 H new ATOM 0 HD1 PHE A 23 17.936 -2.800 -6.254 1.00 0.00 H new ATOM 0 HD2 PHE A 23 17.861 -4.404 -10.163 1.00 0.00 H new ATOM 0 HE1 PHE A 23 16.828 -4.865 -5.384 1.00 0.00 H new ATOM 0 HE2 PHE A 23 16.754 -6.471 -9.293 1.00 0.00 H new ATOM 0 HZ PHE A 23 16.252 -6.676 -6.914 1.00 0.00 H new ATOM 324 N GLY A 24 18.743 1.302 -8.333 1.00 0.00 N ATOM 325 CA GLY A 24 19.437 2.496 -8.785 1.00 0.00 C ATOM 326 C GLY A 24 18.475 3.457 -9.486 1.00 0.00 C ATOM 327 O GLY A 24 18.625 4.674 -9.387 1.00 0.00 O ATOM 0 H GLY A 24 18.378 1.355 -7.382 1.00 0.00 H new ATOM 0 HA2 GLY A 24 19.900 2.996 -7.934 1.00 0.00 H new ATOM 0 HA3 GLY A 24 20.240 2.218 -9.467 1.00 0.00 H new ATOM 331 N LYS A 25 17.508 2.874 -10.180 1.00 0.00 N ATOM 332 CA LYS A 25 16.522 3.664 -10.897 1.00 0.00 C ATOM 333 C LYS A 25 15.539 4.277 -9.897 1.00 0.00 C ATOM 334 O LYS A 25 14.970 3.569 -9.067 1.00 0.00 O ATOM 335 CB LYS A 25 15.848 2.822 -11.983 1.00 0.00 C ATOM 336 CG LYS A 25 15.791 3.582 -13.310 1.00 0.00 C ATOM 337 CD LYS A 25 14.366 4.049 -13.613 1.00 0.00 C ATOM 338 CE LYS A 25 14.035 5.332 -12.847 1.00 0.00 C ATOM 339 NZ LYS A 25 13.476 6.352 -13.762 1.00 0.00 N ATOM 0 H LYS A 25 17.387 1.864 -10.261 1.00 0.00 H new ATOM 0 HA LYS A 25 17.004 4.491 -11.419 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.396 1.889 -12.117 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.839 2.556 -11.668 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.459 4.443 -13.269 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.147 2.940 -14.116 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.256 4.222 -14.684 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.658 3.266 -13.342 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.319 5.115 -12.054 1.00 0.00 H new ATOM 0 HE3 LYS A 25 14.934 5.719 -12.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.147 7.170 -13.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.211 6.658 -14.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.676 5.945 -14.288 1.00 0.00 H new ATOM 353 N LYS A 26 15.371 5.586 -10.009 1.00 0.00 N ATOM 354 CA LYS A 26 14.467 6.302 -9.125 1.00 0.00 C ATOM 355 C LYS A 26 13.243 6.763 -9.918 1.00 0.00 C ATOM 356 O LYS A 26 13.370 7.222 -11.052 1.00 0.00 O ATOM 357 CB LYS A 26 15.203 7.440 -8.413 1.00 0.00 C ATOM 358 CG LYS A 26 15.607 8.535 -9.403 1.00 0.00 C ATOM 359 CD LYS A 26 17.115 8.515 -9.657 1.00 0.00 C ATOM 360 CE LYS A 26 17.424 8.737 -11.139 1.00 0.00 C ATOM 361 NZ LYS A 26 18.295 7.656 -11.654 1.00 0.00 N ATOM 0 H LYS A 26 15.845 6.170 -10.698 1.00 0.00 H new ATOM 0 HA LYS A 26 14.106 5.643 -8.335 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.564 7.863 -7.638 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.090 7.049 -7.915 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.074 8.394 -10.344 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.313 9.509 -9.013 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.598 9.289 -9.061 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.529 7.560 -9.335 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.496 8.767 -11.710 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.913 9.702 -11.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.495 7.822 -12.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 19.188 7.646 -11.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.815 6.740 -11.543 1.00 0.00 H new ATOM 375 N ALA A 27 12.084 6.625 -9.290 1.00 0.00 N ATOM 376 CA ALA A 27 10.838 7.022 -9.923 1.00 0.00 C ATOM 377 C ALA A 27 10.937 8.484 -10.363 1.00 0.00 C ATOM 378 O ALA A 27 11.141 9.372 -9.537 1.00 0.00 O ATOM 379 CB ALA A 27 9.676 6.781 -8.958 1.00 0.00 C ATOM 0 H ALA A 27 11.982 6.244 -8.349 1.00 0.00 H new ATOM 0 HA ALA A 27 10.652 6.422 -10.814 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.741 7.079 -9.433 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.631 5.723 -8.700 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.827 7.369 -8.053 1.00 0.00 H new ATOM 385 N ALA A 28 10.789 8.689 -11.664 1.00 0.00 N ATOM 386 CA ALA A 28 10.859 10.028 -12.224 1.00 0.00 C ATOM 387 C ALA A 28 10.132 11.003 -11.295 1.00 0.00 C ATOM 388 O ALA A 28 10.703 12.008 -10.875 1.00 0.00 O ATOM 389 CB ALA A 28 10.273 10.022 -13.637 1.00 0.00 C ATOM 0 H ALA A 28 10.621 7.950 -12.346 1.00 0.00 H new ATOM 0 HA ALA A 28 11.895 10.358 -12.303 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.326 11.026 -14.057 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.843 9.336 -14.264 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.233 9.699 -13.598 1.00 0.00 H new ATOM 395 N ASN A 29 8.883 10.671 -11.003 1.00 0.00 N ATOM 396 CA ASN A 29 8.072 11.505 -10.132 1.00 0.00 C ATOM 397 C ASN A 29 7.917 10.818 -8.774 1.00 0.00 C ATOM 398 O ASN A 29 7.373 9.718 -8.689 1.00 0.00 O ATOM 399 CB ASN A 29 6.674 11.717 -10.717 1.00 0.00 C ATOM 400 CG ASN A 29 6.236 13.176 -10.576 1.00 0.00 C ATOM 401 OD1 ASN A 29 6.426 13.812 -9.553 1.00 0.00 O ATOM 402 ND2 ASN A 29 5.640 13.668 -11.659 1.00 0.00 N ATOM 0 H ASN A 29 8.413 9.836 -11.354 1.00 0.00 H new ATOM 0 HA ASN A 29 8.570 12.469 -10.030 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.669 11.432 -11.769 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.961 11.069 -10.208 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.310 14.633 -11.666 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.513 13.080 -12.483 1.00 0.00 H new ATOM 409 N ARG A 30 8.405 11.495 -7.745 1.00 0.00 N ATOM 410 CA ARG A 30 8.328 10.963 -6.395 1.00 0.00 C ATOM 411 C ARG A 30 7.439 11.852 -5.524 1.00 0.00 C ATOM 412 O ARG A 30 7.934 12.573 -4.658 1.00 0.00 O ATOM 413 CB ARG A 30 9.717 10.865 -5.761 1.00 0.00 C ATOM 414 CG ARG A 30 10.583 9.838 -6.493 1.00 0.00 C ATOM 415 CD ARG A 30 11.746 9.375 -5.614 1.00 0.00 C ATOM 416 NE ARG A 30 12.602 10.528 -5.257 1.00 0.00 N ATOM 417 CZ ARG A 30 13.425 10.555 -4.201 1.00 0.00 C ATOM 418 NH1 ARG A 30 13.510 9.491 -3.391 1.00 0.00 N ATOM 419 NH2 ARG A 30 14.165 11.645 -3.954 1.00 0.00 N ATOM 0 H ARG A 30 8.855 12.407 -7.819 1.00 0.00 H new ATOM 0 HA ARG A 30 7.898 9.963 -6.457 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.203 11.841 -5.788 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.623 10.585 -4.712 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.974 8.980 -6.778 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.970 10.274 -7.414 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.363 8.902 -4.710 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.335 8.624 -6.141 1.00 0.00 H new ATOM 0 HE ARG A 30 12.563 11.355 -5.853 1.00 0.00 H new ATOM 0 HH11 ARG A 30 12.948 8.661 -3.579 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.137 9.511 -2.587 1.00 0.00 H new ATOM 0 HH21 ARG A 30 14.102 12.455 -4.571 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.792 11.664 -3.149 1.00 0.00 H new ATOM 433 N SER A 31 6.142 11.773 -5.783 1.00 0.00 N ATOM 434 CA SER A 31 5.179 12.562 -5.033 1.00 0.00 C ATOM 435 C SER A 31 4.184 11.640 -4.326 1.00 0.00 C ATOM 436 O SER A 31 4.015 10.486 -4.718 1.00 0.00 O ATOM 437 CB SER A 31 4.439 13.541 -5.947 1.00 0.00 C ATOM 438 OG SER A 31 4.463 13.123 -7.308 1.00 0.00 O ATOM 0 H SER A 31 5.735 11.175 -6.502 1.00 0.00 H new ATOM 0 HA SER A 31 5.720 13.142 -4.286 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.405 13.636 -5.615 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.893 14.529 -5.863 1.00 0.00 H new ATOM 0 HG SER A 31 5.239 13.517 -7.758 1.00 0.00 H new ATOM 444 N TRP A 32 3.551 12.184 -3.297 1.00 0.00 N ATOM 445 CA TRP A 32 2.576 11.424 -2.532 1.00 0.00 C ATOM 446 C TRP A 32 1.211 11.597 -3.201 1.00 0.00 C ATOM 447 O TRP A 32 0.809 12.715 -3.519 1.00 0.00 O ATOM 448 CB TRP A 32 2.580 11.850 -1.063 1.00 0.00 C ATOM 449 CG TRP A 32 3.752 11.288 -0.255 1.00 0.00 C ATOM 450 CD1 TRP A 32 4.966 11.826 -0.078 1.00 0.00 C ATOM 451 CD2 TRP A 32 3.770 10.048 0.483 1.00 0.00 C ATOM 452 NE1 TRP A 32 5.763 11.027 0.716 1.00 0.00 N ATOM 453 CE2 TRP A 32 5.012 9.912 1.069 1.00 0.00 C ATOM 454 CE3 TRP A 32 2.770 9.074 0.651 1.00 0.00 C ATOM 455 CZ2 TRP A 32 5.370 8.814 1.861 1.00 0.00 C ATOM 456 CZ3 TRP A 32 3.144 7.983 1.446 1.00 0.00 C ATOM 457 CH2 TRP A 32 4.390 7.831 2.042 1.00 0.00 C ATOM 0 H TRP A 32 3.694 13.141 -2.975 1.00 0.00 H new ATOM 0 HA TRP A 32 2.830 10.364 -2.528 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.605 12.938 -1.011 1.00 0.00 H new ATOM 0 HB3 TRP A 32 1.646 11.530 -0.600 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.281 12.767 -0.503 1.00 0.00 H new ATOM 0 HE1 TRP A 32 6.726 11.219 0.993 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.791 9.160 0.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.350 8.730 2.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.412 7.205 1.607 1.00 0.00 H new ATOM 0 HH2 TRP A 32 4.601 6.958 2.642 1.00 0.00 H new ATOM 468 N GLN A 33 0.536 10.474 -3.395 1.00 0.00 N ATOM 469 CA GLN A 33 -0.776 10.487 -4.020 1.00 0.00 C ATOM 470 C GLN A 33 -1.658 9.388 -3.425 1.00 0.00 C ATOM 471 O GLN A 33 -1.247 8.231 -3.346 1.00 0.00 O ATOM 472 CB GLN A 33 -0.661 10.337 -5.538 1.00 0.00 C ATOM 473 CG GLN A 33 -0.190 11.641 -6.184 1.00 0.00 C ATOM 474 CD GLN A 33 1.217 11.489 -6.765 1.00 0.00 C ATOM 475 OE1 GLN A 33 2.150 11.071 -6.098 1.00 0.00 O ATOM 476 NE2 GLN A 33 1.318 11.851 -8.040 1.00 0.00 N ATOM 0 H GLN A 33 0.873 9.548 -3.130 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.244 11.450 -3.818 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.039 9.536 -5.776 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.627 10.050 -5.953 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.884 11.931 -6.973 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.197 12.441 -5.444 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.497 12.192 -8.540 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.216 11.787 -8.519 1.00 0.00 H new ATOM 485 N ASN A 34 -2.855 9.787 -3.022 1.00 0.00 N ATOM 486 CA ASN A 34 -3.799 8.851 -2.437 1.00 0.00 C ATOM 487 C ASN A 34 -4.233 7.839 -3.500 1.00 0.00 C ATOM 488 O ASN A 34 -5.038 8.158 -4.373 1.00 0.00 O ATOM 489 CB ASN A 34 -5.051 9.572 -1.933 1.00 0.00 C ATOM 490 CG ASN A 34 -4.751 10.365 -0.659 1.00 0.00 C ATOM 491 OD1 ASN A 34 -3.936 11.272 -0.639 1.00 0.00 O ATOM 492 ND2 ASN A 34 -5.453 9.973 0.400 1.00 0.00 N ATOM 0 H ASN A 34 -3.193 10.747 -3.089 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.307 8.356 -1.600 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.423 10.245 -2.705 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.839 8.845 -1.736 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -5.325 10.439 1.298 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.120 9.206 0.314 1.00 0.00 H new ATOM 499 N VAL A 35 -3.679 6.640 -3.391 1.00 0.00 N ATOM 500 CA VAL A 35 -3.998 5.580 -4.332 1.00 0.00 C ATOM 501 C VAL A 35 -4.615 4.402 -3.576 1.00 0.00 C ATOM 502 O VAL A 35 -4.022 3.888 -2.629 1.00 0.00 O ATOM 503 CB VAL A 35 -2.750 5.193 -5.127 1.00 0.00 C ATOM 504 CG1 VAL A 35 -3.084 4.156 -6.201 1.00 0.00 C ATOM 505 CG2 VAL A 35 -2.087 6.427 -5.743 1.00 0.00 C ATOM 0 H VAL A 35 -3.011 6.379 -2.665 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.736 5.922 -5.058 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.039 4.742 -4.435 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.179 3.898 -6.752 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.489 3.261 -5.729 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.822 4.569 -6.889 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.202 6.123 -6.303 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.790 6.920 -6.415 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.796 7.117 -4.951 1.00 0.00 H new ATOM 515 N TYR A 36 -5.799 4.008 -4.023 1.00 0.00 N ATOM 516 CA TYR A 36 -6.503 2.900 -3.400 1.00 0.00 C ATOM 517 C TYR A 36 -5.789 1.574 -3.673 1.00 0.00 C ATOM 518 O TYR A 36 -5.816 1.070 -4.795 1.00 0.00 O ATOM 519 CB TYR A 36 -7.888 2.863 -4.049 1.00 0.00 C ATOM 520 CG TYR A 36 -8.909 2.015 -3.287 1.00 0.00 C ATOM 521 CD1 TYR A 36 -9.147 2.259 -1.950 1.00 0.00 C ATOM 522 CD2 TYR A 36 -9.592 1.008 -3.938 1.00 0.00 C ATOM 523 CE1 TYR A 36 -10.108 1.461 -1.233 1.00 0.00 C ATOM 524 CE2 TYR A 36 -10.553 0.210 -3.221 1.00 0.00 C ATOM 525 CZ TYR A 36 -10.764 0.476 -1.904 1.00 0.00 C ATOM 526 OH TYR A 36 -11.672 -0.277 -1.227 1.00 0.00 O ATOM 0 H TYR A 36 -6.288 4.436 -4.809 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.551 3.034 -2.319 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.267 3.882 -4.132 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.793 2.475 -5.063 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.613 3.048 -1.441 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.406 0.818 -4.985 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.303 1.641 -0.186 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.094 -0.582 -3.718 1.00 0.00 H new ATOM 0 HH TYR A 36 -12.063 -0.941 -1.833 1.00 0.00 H new ATOM 536 N CYS A 37 -5.167 1.048 -2.628 1.00 0.00 N ATOM 537 CA CYS A 37 -4.447 -0.209 -2.741 1.00 0.00 C ATOM 538 C CYS A 37 -5.470 -1.346 -2.785 1.00 0.00 C ATOM 539 O CYS A 37 -6.356 -1.422 -1.936 1.00 0.00 O ATOM 540 CB CYS A 37 -3.442 -0.389 -1.602 1.00 0.00 C ATOM 541 SG CYS A 37 -1.736 -0.214 -2.239 1.00 0.00 S ATOM 0 H CYS A 37 -5.147 1.469 -1.699 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.860 -0.214 -3.660 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.626 0.351 -0.823 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.570 -1.370 -1.145 1.00 0.00 H new ATOM 0 HG CYS A 37 -1.122 0.726 -1.583 1.00 0.00 H new ATOM 547 N VAL A 38 -5.313 -2.202 -3.785 1.00 0.00 N ATOM 548 CA VAL A 38 -6.212 -3.331 -3.951 1.00 0.00 C ATOM 549 C VAL A 38 -5.390 -4.612 -4.111 1.00 0.00 C ATOM 550 O VAL A 38 -4.804 -4.849 -5.166 1.00 0.00 O ATOM 551 CB VAL A 38 -7.159 -3.078 -5.125 1.00 0.00 C ATOM 552 CG1 VAL A 38 -8.055 -4.292 -5.380 1.00 0.00 C ATOM 553 CG2 VAL A 38 -7.996 -1.818 -4.893 1.00 0.00 C ATOM 0 H VAL A 38 -4.577 -2.136 -4.488 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.838 -3.454 -3.067 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.552 -2.918 -6.016 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.718 -4.085 -6.220 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.436 -5.159 -5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.650 -4.498 -4.490 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.661 -1.661 -5.743 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.588 -1.937 -3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.336 -0.957 -4.785 1.00 0.00 H new ATOM 563 N LEU A 39 -5.375 -5.404 -3.049 1.00 0.00 N ATOM 564 CA LEU A 39 -4.635 -6.654 -3.058 1.00 0.00 C ATOM 565 C LEU A 39 -5.583 -7.800 -3.418 1.00 0.00 C ATOM 566 O LEU A 39 -6.701 -7.868 -2.909 1.00 0.00 O ATOM 567 CB LEU A 39 -3.904 -6.854 -1.729 1.00 0.00 C ATOM 568 CG LEU A 39 -3.003 -8.087 -1.638 1.00 0.00 C ATOM 569 CD1 LEU A 39 -1.528 -7.685 -1.590 1.00 0.00 C ATOM 570 CD2 LEU A 39 -3.396 -8.968 -0.451 1.00 0.00 C ATOM 0 H LEU A 39 -5.864 -5.204 -2.176 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.858 -6.631 -3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.297 -5.970 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.647 -6.912 -0.934 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.146 -8.682 -2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.909 -8.580 -1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.272 -7.131 -2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.350 -7.057 -0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.740 -9.837 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.301 -8.397 0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.428 -9.298 -0.569 1.00 0.00 H new ATOM 582 N ARG A 40 -5.102 -8.672 -4.291 1.00 0.00 N ATOM 583 CA ARG A 40 -5.892 -9.811 -4.725 1.00 0.00 C ATOM 584 C ARG A 40 -5.019 -10.799 -5.502 1.00 0.00 C ATOM 585 O ARG A 40 -4.066 -10.398 -6.169 1.00 0.00 O ATOM 586 CB ARG A 40 -7.059 -9.368 -5.609 1.00 0.00 C ATOM 587 CG ARG A 40 -8.370 -10.010 -5.150 1.00 0.00 C ATOM 588 CD ARG A 40 -9.212 -9.020 -4.342 1.00 0.00 C ATOM 589 NE ARG A 40 -10.482 -9.656 -3.928 1.00 0.00 N ATOM 590 CZ ARG A 40 -11.550 -9.790 -4.725 1.00 0.00 C ATOM 591 NH1 ARG A 40 -11.508 -9.332 -5.984 1.00 0.00 N ATOM 592 NH2 ARG A 40 -12.661 -10.381 -4.264 1.00 0.00 N ATOM 0 H ARG A 40 -4.174 -8.613 -4.710 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.290 -10.296 -3.834 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.151 -8.282 -5.578 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.859 -9.642 -6.645 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.935 -10.351 -6.017 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.155 -10.890 -4.544 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.657 -8.691 -3.463 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.418 -8.132 -4.940 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.548 -10.015 -2.976 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.663 -8.882 -6.335 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.321 -9.434 -6.591 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.693 -10.729 -3.306 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.474 -10.483 -4.871 1.00 0.00 H new ATOM 606 N ARG A 41 -5.376 -12.070 -5.390 1.00 0.00 N ATOM 607 CA ARG A 41 -4.636 -13.117 -6.074 1.00 0.00 C ATOM 608 C ARG A 41 -3.131 -12.870 -5.953 1.00 0.00 C ATOM 609 O ARG A 41 -2.364 -13.248 -6.837 1.00 0.00 O ATOM 610 CB ARG A 41 -5.019 -13.185 -7.554 1.00 0.00 C ATOM 611 CG ARG A 41 -5.519 -14.582 -7.927 1.00 0.00 C ATOM 612 CD ARG A 41 -6.062 -14.605 -9.358 1.00 0.00 C ATOM 613 NE ARG A 41 -7.495 -14.233 -9.361 1.00 0.00 N ATOM 614 CZ ARG A 41 -8.357 -14.574 -10.329 1.00 0.00 C ATOM 615 NH1 ARG A 41 -7.937 -15.296 -11.377 1.00 0.00 N ATOM 616 NH2 ARG A 41 -9.639 -14.193 -10.249 1.00 0.00 N ATOM 0 H ARG A 41 -6.167 -12.398 -4.836 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.890 -14.066 -5.601 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.794 -12.449 -7.767 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.157 -12.927 -8.169 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.706 -15.301 -7.831 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.300 -14.890 -7.232 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.497 -13.913 -9.982 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.935 -15.598 -9.788 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.848 -13.683 -8.578 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.961 -15.586 -11.438 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.593 -15.555 -12.113 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.959 -13.643 -9.451 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.295 -14.452 -10.986 1.00 0.00 H new ATOM 630 N GLY A 42 -2.754 -12.237 -4.852 1.00 0.00 N ATOM 631 CA GLY A 42 -1.355 -11.934 -4.605 1.00 0.00 C ATOM 632 C GLY A 42 -0.846 -10.864 -5.573 1.00 0.00 C ATOM 633 O GLY A 42 0.187 -11.045 -6.216 1.00 0.00 O ATOM 0 H GLY A 42 -3.393 -11.926 -4.121 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.230 -11.590 -3.578 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.759 -12.840 -4.713 1.00 0.00 H new ATOM 637 N SER A 43 -1.594 -9.773 -5.646 1.00 0.00 N ATOM 638 CA SER A 43 -1.231 -8.674 -6.524 1.00 0.00 C ATOM 639 C SER A 43 -1.799 -7.361 -5.981 1.00 0.00 C ATOM 640 O SER A 43 -3.001 -7.252 -5.743 1.00 0.00 O ATOM 641 CB SER A 43 -1.732 -8.920 -7.949 1.00 0.00 C ATOM 642 OG SER A 43 -3.144 -8.762 -8.053 1.00 0.00 O ATOM 0 H SER A 43 -2.450 -9.627 -5.111 1.00 0.00 H new ATOM 0 HA SER A 43 -0.144 -8.606 -6.556 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.239 -8.228 -8.631 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.456 -9.927 -8.262 1.00 0.00 H new ATOM 0 HG SER A 43 -3.586 -9.309 -7.370 1.00 0.00 H new ATOM 648 N LEU A 44 -0.907 -6.398 -5.801 1.00 0.00 N ATOM 649 CA LEU A 44 -1.304 -5.097 -5.290 1.00 0.00 C ATOM 650 C LEU A 44 -1.662 -4.181 -6.462 1.00 0.00 C ATOM 651 O LEU A 44 -0.786 -3.759 -7.215 1.00 0.00 O ATOM 652 CB LEU A 44 -0.220 -4.527 -4.374 1.00 0.00 C ATOM 653 CG LEU A 44 -0.588 -3.254 -3.610 1.00 0.00 C ATOM 654 CD1 LEU A 44 -1.860 -3.458 -2.785 1.00 0.00 C ATOM 655 CD2 LEU A 44 0.582 -2.773 -2.749 1.00 0.00 C ATOM 0 H LEU A 44 0.089 -6.493 -6.000 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.197 -5.188 -4.671 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.056 -5.294 -3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.666 -4.323 -4.976 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.797 -2.469 -4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.099 -2.538 -2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.685 -3.719 -3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.703 -4.263 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.294 -1.867 -2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.847 -3.548 -2.029 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.440 -2.562 -3.387 1.00 0.00 H new ATOM 667 N GLY A 45 -2.952 -3.901 -6.580 1.00 0.00 N ATOM 668 CA GLY A 45 -3.437 -3.043 -7.648 1.00 0.00 C ATOM 669 C GLY A 45 -3.677 -1.620 -7.142 1.00 0.00 C ATOM 670 O GLY A 45 -4.047 -1.423 -5.985 1.00 0.00 O ATOM 0 H GLY A 45 -3.676 -4.253 -5.954 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.713 -3.026 -8.463 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.363 -3.450 -8.054 1.00 0.00 H new ATOM 674 N PHE A 46 -3.457 -0.664 -8.033 1.00 0.00 N ATOM 675 CA PHE A 46 -3.645 0.736 -7.690 1.00 0.00 C ATOM 676 C PHE A 46 -4.841 1.328 -8.440 1.00 0.00 C ATOM 677 O PHE A 46 -5.030 1.058 -9.625 1.00 0.00 O ATOM 678 CB PHE A 46 -2.375 1.475 -8.116 1.00 0.00 C ATOM 679 CG PHE A 46 -1.087 0.880 -7.543 1.00 0.00 C ATOM 680 CD1 PHE A 46 -0.902 0.829 -6.196 1.00 0.00 C ATOM 681 CD2 PHE A 46 -0.128 0.401 -8.380 1.00 0.00 C ATOM 682 CE1 PHE A 46 0.293 0.277 -5.665 1.00 0.00 C ATOM 683 CE2 PHE A 46 1.067 -0.151 -7.848 1.00 0.00 C ATOM 684 CZ PHE A 46 1.252 -0.202 -6.502 1.00 0.00 C ATOM 0 H PHE A 46 -3.151 -0.831 -8.991 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.835 0.835 -6.621 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.312 1.471 -9.204 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.452 2.517 -7.805 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.664 1.208 -5.531 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.275 0.441 -9.449 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.441 0.237 -4.596 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.829 -0.530 -8.513 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.161 -0.623 -6.097 1.00 0.00 H new ATOM 694 N TYR A 47 -5.616 2.123 -7.718 1.00 0.00 N ATOM 695 CA TYR A 47 -6.788 2.756 -8.300 1.00 0.00 C ATOM 696 C TYR A 47 -7.036 4.130 -7.675 1.00 0.00 C ATOM 697 O TYR A 47 -6.485 4.446 -6.621 1.00 0.00 O ATOM 698 CB TYR A 47 -7.968 1.839 -7.972 1.00 0.00 C ATOM 699 CG TYR A 47 -7.833 0.424 -8.539 1.00 0.00 C ATOM 700 CD1 TYR A 47 -7.018 -0.496 -7.910 1.00 0.00 C ATOM 701 CD2 TYR A 47 -8.525 0.067 -9.678 1.00 0.00 C ATOM 702 CE1 TYR A 47 -6.890 -1.827 -8.443 1.00 0.00 C ATOM 703 CE2 TYR A 47 -8.398 -1.264 -10.210 1.00 0.00 C ATOM 704 CZ TYR A 47 -7.587 -2.146 -9.567 1.00 0.00 C ATOM 705 OH TYR A 47 -7.466 -3.404 -10.070 1.00 0.00 O ATOM 0 H TYR A 47 -5.456 2.344 -6.735 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.655 2.899 -9.372 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.076 1.777 -6.889 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.883 2.289 -8.359 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.477 -0.217 -7.018 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.162 0.787 -10.170 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.255 -2.556 -7.962 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -8.935 -1.556 -11.100 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.021 -3.490 -10.873 1.00 0.00 H new ATOM 715 N LYS A 48 -7.866 4.911 -8.351 1.00 0.00 N ATOM 716 CA LYS A 48 -8.195 6.244 -7.875 1.00 0.00 C ATOM 717 C LYS A 48 -8.765 6.149 -6.459 1.00 0.00 C ATOM 718 O LYS A 48 -8.201 6.710 -5.520 1.00 0.00 O ATOM 719 CB LYS A 48 -9.121 6.953 -8.865 1.00 0.00 C ATOM 720 CG LYS A 48 -9.528 8.333 -8.344 1.00 0.00 C ATOM 721 CD LYS A 48 -9.250 9.417 -9.388 1.00 0.00 C ATOM 722 CE LYS A 48 -10.401 9.518 -10.392 1.00 0.00 C ATOM 723 NZ LYS A 48 -9.890 9.896 -11.728 1.00 0.00 N ATOM 0 H LYS A 48 -8.321 4.646 -9.225 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.298 6.860 -7.817 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.619 7.057 -9.827 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.011 6.347 -9.034 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.588 8.332 -8.089 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.980 8.556 -7.428 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.110 10.377 -8.892 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.322 9.191 -9.914 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.924 8.563 -10.453 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.126 10.257 -10.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.683 9.960 -12.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.411 10.817 -11.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.216 9.176 -12.058 1.00 0.00 H new ATOM 737 N ASP A 49 -9.876 5.435 -6.349 1.00 0.00 N ATOM 738 CA ASP A 49 -10.529 5.260 -5.063 1.00 0.00 C ATOM 739 C ASP A 49 -11.344 3.966 -5.082 1.00 0.00 C ATOM 740 O ASP A 49 -11.341 3.240 -6.075 1.00 0.00 O ATOM 741 CB ASP A 49 -11.485 6.417 -4.768 1.00 0.00 C ATOM 742 CG ASP A 49 -11.939 7.210 -5.996 1.00 0.00 C ATOM 743 OD1 ASP A 49 -12.237 6.553 -7.017 1.00 0.00 O ATOM 744 OD2 ASP A 49 -11.978 8.454 -5.886 1.00 0.00 O ATOM 0 H ASP A 49 -10.340 4.971 -7.130 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.757 5.226 -4.295 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.366 6.021 -4.264 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.000 7.101 -4.072 1.00 0.00 H new ATOM 749 N ALA A 50 -12.024 3.716 -3.972 1.00 0.00 N ATOM 750 CA ALA A 50 -12.843 2.522 -3.849 1.00 0.00 C ATOM 751 C ALA A 50 -13.962 2.567 -4.891 1.00 0.00 C ATOM 752 O ALA A 50 -14.557 1.539 -5.213 1.00 0.00 O ATOM 753 CB ALA A 50 -13.380 2.416 -2.421 1.00 0.00 C ATOM 0 H ALA A 50 -12.024 4.320 -3.150 1.00 0.00 H new ATOM 0 HA ALA A 50 -12.250 1.628 -4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.994 1.520 -2.329 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -12.546 2.357 -1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.983 3.295 -2.193 1.00 0.00 H new ATOM 759 N LYS A 51 -14.216 3.768 -5.390 1.00 0.00 N ATOM 760 CA LYS A 51 -15.253 3.960 -6.388 1.00 0.00 C ATOM 761 C LYS A 51 -14.684 3.654 -7.775 1.00 0.00 C ATOM 762 O LYS A 51 -15.435 3.432 -8.724 1.00 0.00 O ATOM 763 CB LYS A 51 -15.860 5.359 -6.268 1.00 0.00 C ATOM 764 CG LYS A 51 -16.638 5.509 -4.959 1.00 0.00 C ATOM 765 CD LYS A 51 -15.722 5.983 -3.829 1.00 0.00 C ATOM 766 CE LYS A 51 -16.232 7.292 -3.223 1.00 0.00 C ATOM 767 NZ LYS A 51 -15.652 7.501 -1.877 1.00 0.00 N ATOM 0 H LYS A 51 -13.721 4.618 -5.121 1.00 0.00 H new ATOM 0 HA LYS A 51 -16.076 3.265 -6.220 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.069 6.108 -6.313 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -16.523 5.545 -7.113 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -17.452 6.221 -5.095 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -17.091 4.555 -4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.667 5.217 -3.055 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.711 6.124 -4.211 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.969 8.127 -3.872 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.320 7.270 -3.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.009 8.394 -1.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.924 6.713 -1.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.615 7.544 -1.948 1.00 0.00 H new ATOM 781 N ALA A 52 -13.361 3.651 -7.849 1.00 0.00 N ATOM 782 CA ALA A 52 -12.681 3.376 -9.103 1.00 0.00 C ATOM 783 C ALA A 52 -12.329 1.888 -9.172 1.00 0.00 C ATOM 784 O ALA A 52 -12.362 1.288 -10.245 1.00 0.00 O ATOM 785 CB ALA A 52 -11.448 4.273 -9.224 1.00 0.00 C ATOM 0 H ALA A 52 -12.741 3.835 -7.060 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.331 3.601 -9.949 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.938 4.066 -10.165 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.755 5.319 -9.200 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.771 4.074 -8.393 1.00 0.00 H new ATOM 791 N ALA A 53 -12.000 1.337 -8.013 1.00 0.00 N ATOM 792 CA ALA A 53 -11.642 -0.069 -7.928 1.00 0.00 C ATOM 793 C ALA A 53 -12.863 -0.923 -8.274 1.00 0.00 C ATOM 794 O ALA A 53 -12.742 -1.936 -8.962 1.00 0.00 O ATOM 795 CB ALA A 53 -11.095 -0.373 -6.532 1.00 0.00 C ATOM 0 H ALA A 53 -11.974 1.838 -7.125 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.857 -0.309 -8.645 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.826 -1.427 -6.468 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.212 0.238 -6.346 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.856 -0.147 -5.786 1.00 0.00 H new ATOM 801 N SER A 54 -14.012 -0.484 -7.781 1.00 0.00 N ATOM 802 CA SER A 54 -15.254 -1.196 -8.030 1.00 0.00 C ATOM 803 C SER A 54 -15.628 -1.096 -9.510 1.00 0.00 C ATOM 804 O SER A 54 -16.148 -2.048 -10.089 1.00 0.00 O ATOM 805 CB SER A 54 -16.386 -0.649 -7.158 1.00 0.00 C ATOM 806 OG SER A 54 -17.290 -1.674 -6.753 1.00 0.00 O ATOM 0 H SER A 54 -14.109 0.356 -7.210 1.00 0.00 H new ATOM 0 HA SER A 54 -15.105 -2.244 -7.770 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.964 -0.168 -6.276 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.930 0.118 -7.709 1.00 0.00 H new ATOM 0 HG SER A 54 -17.997 -1.285 -6.197 1.00 0.00 H new ATOM 812 N ALA A 55 -15.348 0.067 -10.080 1.00 0.00 N ATOM 813 CA ALA A 55 -15.648 0.305 -11.482 1.00 0.00 C ATOM 814 C ALA A 55 -14.519 -0.262 -12.344 1.00 0.00 C ATOM 815 O ALA A 55 -14.549 -0.145 -13.569 1.00 0.00 O ATOM 816 CB ALA A 55 -15.862 1.802 -11.712 1.00 0.00 C ATOM 0 H ALA A 55 -14.917 0.855 -9.596 1.00 0.00 H new ATOM 0 HA ALA A 55 -16.569 -0.203 -11.769 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.087 1.980 -12.764 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.694 2.149 -11.099 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.958 2.345 -11.437 1.00 0.00 H new ATOM 822 N GLY A 56 -13.549 -0.865 -11.672 1.00 0.00 N ATOM 823 CA GLY A 56 -12.412 -1.450 -12.361 1.00 0.00 C ATOM 824 C GLY A 56 -11.677 -0.400 -13.196 1.00 0.00 C ATOM 825 O GLY A 56 -11.197 -0.695 -14.289 1.00 0.00 O ATOM 0 H GLY A 56 -13.528 -0.961 -10.657 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.727 -1.886 -11.634 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.751 -2.261 -13.006 1.00 0.00 H new ATOM 829 N VAL A 57 -11.611 0.805 -12.648 1.00 0.00 N ATOM 830 CA VAL A 57 -10.942 1.901 -13.328 1.00 0.00 C ATOM 831 C VAL A 57 -9.551 2.099 -12.722 1.00 0.00 C ATOM 832 O VAL A 57 -9.425 2.435 -11.546 1.00 0.00 O ATOM 833 CB VAL A 57 -11.806 3.162 -13.265 1.00 0.00 C ATOM 834 CG1 VAL A 57 -11.123 4.331 -13.977 1.00 0.00 C ATOM 835 CG2 VAL A 57 -13.197 2.902 -13.847 1.00 0.00 C ATOM 0 H VAL A 57 -12.010 1.046 -11.741 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.807 1.668 -14.384 1.00 0.00 H new ATOM 0 HB VAL A 57 -11.927 3.434 -12.216 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.758 5.215 -13.917 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.166 4.539 -13.499 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.957 4.073 -15.023 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -13.791 3.814 -13.790 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -13.104 2.594 -14.888 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.688 2.113 -13.277 1.00 0.00 H new ATOM 845 N PRO A 58 -8.515 1.876 -13.575 1.00 0.00 N ATOM 846 CA PRO A 58 -7.138 2.026 -13.135 1.00 0.00 C ATOM 847 C PRO A 58 -6.761 3.503 -13.009 1.00 0.00 C ATOM 848 O PRO A 58 -7.032 4.296 -13.910 1.00 0.00 O ATOM 849 CB PRO A 58 -6.311 1.289 -14.176 1.00 0.00 C ATOM 850 CG PRO A 58 -7.204 1.152 -15.398 1.00 0.00 C ATOM 851 CD PRO A 58 -8.627 1.476 -14.974 1.00 0.00 C ATOM 0 HA PRO A 58 -6.966 1.612 -12.142 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -5.403 1.842 -14.416 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.001 0.311 -13.807 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.877 1.829 -16.187 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.147 0.141 -15.801 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.049 2.276 -15.582 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.281 0.611 -15.087 1.00 0.00 H new ATOM 859 N TYR A 59 -6.143 3.829 -11.884 1.00 0.00 N ATOM 860 CA TYR A 59 -5.726 5.197 -11.628 1.00 0.00 C ATOM 861 C TYR A 59 -5.060 5.808 -12.863 1.00 0.00 C ATOM 862 O TYR A 59 -5.571 6.767 -13.438 1.00 0.00 O ATOM 863 CB TYR A 59 -4.700 5.121 -10.495 1.00 0.00 C ATOM 864 CG TYR A 59 -4.327 6.480 -9.901 1.00 0.00 C ATOM 865 CD1 TYR A 59 -5.318 7.356 -9.505 1.00 0.00 C ATOM 866 CD2 TYR A 59 -3.000 6.831 -9.760 1.00 0.00 C ATOM 867 CE1 TYR A 59 -4.967 8.635 -8.945 1.00 0.00 C ATOM 868 CE2 TYR A 59 -2.649 8.111 -9.200 1.00 0.00 C ATOM 869 CZ TYR A 59 -3.649 8.950 -8.821 1.00 0.00 C ATOM 870 OH TYR A 59 -3.318 10.158 -8.292 1.00 0.00 O ATOM 0 H TYR A 59 -5.921 3.169 -11.139 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.585 5.818 -11.373 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.096 4.486 -9.702 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.797 4.639 -10.869 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.357 7.082 -9.615 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.224 6.146 -10.069 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.733 9.329 -8.630 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.614 8.398 -9.084 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.342 10.246 -8.263 1.00 0.00 H new ATOM 880 N HIS A 60 -3.929 5.226 -13.234 1.00 0.00 N ATOM 881 CA HIS A 60 -3.187 5.700 -14.390 1.00 0.00 C ATOM 882 C HIS A 60 -2.966 4.544 -15.367 1.00 0.00 C ATOM 883 O HIS A 60 -1.853 4.339 -15.850 1.00 0.00 O ATOM 884 CB HIS A 60 -1.881 6.372 -13.960 1.00 0.00 C ATOM 885 CG HIS A 60 -2.059 7.772 -13.425 1.00 0.00 C ATOM 886 ND1 HIS A 60 -3.026 8.305 -12.624 1.00 0.00 N flip ATOM 887 CD2 HIS A 60 -1.175 8.800 -13.706 1.00 0.00 C flip ATOM 888 CE1 HIS A 60 -2.747 9.588 -12.426 1.00 0.00 C flip ATOM 889 NE2 HIS A 60 -1.600 9.896 -13.097 1.00 0.00 N flip ATOM 0 H HIS A 60 -3.508 4.430 -12.754 1.00 0.00 H new ATOM 0 HA HIS A 60 -3.766 6.463 -14.910 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.404 5.760 -13.195 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.202 6.403 -14.812 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.289 8.721 -14.318 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -3.332 10.274 -11.832 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -1.149 10.810 -13.125 1.00 0.00 H new ATOM 897 N GLY A 61 -4.043 3.818 -15.630 1.00 0.00 N ATOM 898 CA GLY A 61 -3.980 2.688 -16.541 1.00 0.00 C ATOM 899 C GLY A 61 -2.825 1.754 -16.176 1.00 0.00 C ATOM 900 O GLY A 61 -2.333 1.009 -17.023 1.00 0.00 O ATOM 0 H GLY A 61 -4.964 3.991 -15.228 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.921 2.138 -16.510 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.854 3.046 -17.563 1.00 0.00 H new ATOM 904 N GLU A 62 -2.425 1.823 -14.915 1.00 0.00 N ATOM 905 CA GLU A 62 -1.337 0.992 -14.428 1.00 0.00 C ATOM 906 C GLU A 62 -1.859 -0.392 -14.038 1.00 0.00 C ATOM 907 O GLU A 62 -3.048 -0.558 -13.769 1.00 0.00 O ATOM 908 CB GLU A 62 -0.622 1.660 -13.251 1.00 0.00 C ATOM 909 CG GLU A 62 0.534 2.536 -13.738 1.00 0.00 C ATOM 910 CD GLU A 62 1.699 2.508 -12.746 1.00 0.00 C ATOM 911 OE1 GLU A 62 1.494 3.000 -11.616 1.00 0.00 O ATOM 912 OE2 GLU A 62 2.768 1.994 -13.141 1.00 0.00 O ATOM 0 H GLU A 62 -2.835 2.442 -14.215 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.610 0.871 -15.231 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.331 2.267 -12.687 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.244 0.897 -12.570 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.874 2.187 -14.713 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.188 3.561 -13.869 1.00 0.00 H new ATOM 919 N VAL A 63 -0.945 -1.351 -14.021 1.00 0.00 N ATOM 920 CA VAL A 63 -1.298 -2.715 -13.669 1.00 0.00 C ATOM 921 C VAL A 63 -0.851 -2.999 -12.233 1.00 0.00 C ATOM 922 O VAL A 63 -0.113 -2.213 -11.642 1.00 0.00 O ATOM 923 CB VAL A 63 -0.699 -3.690 -14.685 1.00 0.00 C ATOM 924 CG1 VAL A 63 -1.748 -4.128 -15.709 1.00 0.00 C ATOM 925 CG2 VAL A 63 0.521 -3.079 -15.377 1.00 0.00 C ATOM 0 H VAL A 63 0.040 -1.210 -14.246 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.379 -2.851 -13.706 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.369 -4.577 -14.144 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.296 -4.820 -16.419 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.573 -4.622 -15.196 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.123 -3.254 -16.242 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.928 -3.792 -16.094 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.226 -2.169 -15.899 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.280 -2.840 -14.632 1.00 0.00 H new ATOM 935 N PRO A 64 -1.331 -4.155 -11.700 1.00 0.00 N ATOM 936 CA PRO A 64 -0.988 -4.552 -10.345 1.00 0.00 C ATOM 937 C PRO A 64 0.448 -5.074 -10.273 1.00 0.00 C ATOM 938 O PRO A 64 0.901 -5.782 -11.171 1.00 0.00 O ATOM 939 CB PRO A 64 -2.021 -5.602 -9.970 1.00 0.00 C ATOM 940 CG PRO A 64 -2.615 -6.090 -11.282 1.00 0.00 C ATOM 941 CD PRO A 64 -2.208 -5.110 -12.371 1.00 0.00 C ATOM 0 HA PRO A 64 -1.013 -3.718 -9.643 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.561 -6.423 -9.420 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.792 -5.179 -9.326 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.254 -7.092 -11.515 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.701 -6.151 -11.210 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.692 -5.616 -13.187 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.077 -4.614 -12.803 1.00 0.00 H new ATOM 949 N VAL A 65 1.125 -4.705 -9.195 1.00 0.00 N ATOM 950 CA VAL A 65 2.500 -5.127 -8.994 1.00 0.00 C ATOM 951 C VAL A 65 2.515 -6.493 -8.305 1.00 0.00 C ATOM 952 O VAL A 65 1.920 -6.662 -7.242 1.00 0.00 O ATOM 953 CB VAL A 65 3.268 -4.057 -8.215 1.00 0.00 C ATOM 954 CG1 VAL A 65 3.620 -2.871 -9.116 1.00 0.00 C ATOM 955 CG2 VAL A 65 2.476 -3.598 -6.989 1.00 0.00 C ATOM 0 H VAL A 65 0.746 -4.118 -8.452 1.00 0.00 H new ATOM 0 HA VAL A 65 3.008 -5.240 -9.952 1.00 0.00 H new ATOM 0 HB VAL A 65 4.200 -4.501 -7.865 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.165 -2.125 -8.538 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.241 -3.214 -9.943 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.705 -2.428 -9.509 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.044 -2.838 -6.453 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.521 -3.180 -7.308 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.298 -4.449 -6.331 1.00 0.00 H new ATOM 965 N SER A 66 3.201 -7.433 -8.939 1.00 0.00 N ATOM 966 CA SER A 66 3.300 -8.779 -8.401 1.00 0.00 C ATOM 967 C SER A 66 4.148 -8.771 -7.127 1.00 0.00 C ATOM 968 O SER A 66 5.265 -8.257 -7.123 1.00 0.00 O ATOM 969 CB SER A 66 3.897 -9.741 -9.429 1.00 0.00 C ATOM 970 OG SER A 66 4.958 -9.141 -10.169 1.00 0.00 O ATOM 0 H SER A 66 3.694 -7.289 -9.820 1.00 0.00 H new ATOM 0 HA SER A 66 2.295 -9.126 -8.160 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.268 -10.631 -8.920 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.116 -10.068 -10.115 1.00 0.00 H new ATOM 0 HG SER A 66 5.314 -9.788 -10.814 1.00 0.00 H new ATOM 976 N LEU A 67 3.584 -9.348 -6.076 1.00 0.00 N ATOM 977 CA LEU A 67 4.274 -9.414 -4.798 1.00 0.00 C ATOM 978 C LEU A 67 5.055 -10.726 -4.713 1.00 0.00 C ATOM 979 O LEU A 67 5.128 -11.341 -3.650 1.00 0.00 O ATOM 980 CB LEU A 67 3.288 -9.208 -3.646 1.00 0.00 C ATOM 981 CG LEU A 67 2.357 -8.000 -3.767 1.00 0.00 C ATOM 982 CD1 LEU A 67 1.036 -8.251 -3.036 1.00 0.00 C ATOM 983 CD2 LEU A 67 3.048 -6.725 -3.280 1.00 0.00 C ATOM 0 H LEU A 67 2.657 -9.774 -6.083 1.00 0.00 H new ATOM 0 HA LEU A 67 5.000 -8.605 -4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.676 -10.105 -3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.856 -9.112 -2.721 1.00 0.00 H new ATOM 0 HG LEU A 67 2.120 -7.855 -4.821 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.392 -7.377 -3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.540 -9.119 -3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.234 -8.435 -1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.365 -5.881 -3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.334 -6.843 -2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.939 -6.541 -3.881 1.00 0.00 H new ATOM 995 N ALA A 68 5.619 -11.117 -5.847 1.00 0.00 N ATOM 996 CA ALA A 68 6.392 -12.345 -5.913 1.00 0.00 C ATOM 997 C ALA A 68 7.840 -12.054 -5.514 1.00 0.00 C ATOM 998 O ALA A 68 8.524 -11.271 -6.172 1.00 0.00 O ATOM 999 CB ALA A 68 6.284 -12.941 -7.318 1.00 0.00 C ATOM 0 H ALA A 68 5.556 -10.605 -6.727 1.00 0.00 H new ATOM 0 HA ALA A 68 5.999 -13.083 -5.214 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.864 -13.863 -7.368 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.239 -13.157 -7.542 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.672 -12.229 -8.046 1.00 0.00 H new ATOM 1005 N ARG A 69 8.265 -12.699 -4.437 1.00 0.00 N ATOM 1006 CA ARG A 69 9.619 -12.519 -3.942 1.00 0.00 C ATOM 1007 C ARG A 69 9.826 -11.076 -3.476 1.00 0.00 C ATOM 1008 O ARG A 69 10.949 -10.574 -3.480 1.00 0.00 O ATOM 1009 CB ARG A 69 10.649 -12.851 -5.023 1.00 0.00 C ATOM 1010 CG ARG A 69 10.271 -14.134 -5.765 1.00 0.00 C ATOM 1011 CD ARG A 69 11.497 -15.023 -5.983 1.00 0.00 C ATOM 1012 NE ARG A 69 11.096 -16.448 -5.982 1.00 0.00 N ATOM 1013 CZ ARG A 69 11.932 -17.464 -5.731 1.00 0.00 C ATOM 1014 NH1 ARG A 69 13.221 -17.219 -5.459 1.00 0.00 N ATOM 1015 NH2 ARG A 69 11.480 -18.725 -5.752 1.00 0.00 N ATOM 0 H ARG A 69 7.695 -13.347 -3.893 1.00 0.00 H new ATOM 0 HA ARG A 69 9.758 -13.200 -3.102 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.718 -12.025 -5.730 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.633 -12.966 -4.569 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.519 -14.679 -5.195 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.823 -13.884 -6.727 1.00 0.00 H new ATOM 0 HD2 ARG A 69 11.975 -14.772 -6.930 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.231 -14.843 -5.198 1.00 0.00 H new ATOM 0 HE ARG A 69 10.121 -16.670 -6.185 1.00 0.00 H new ATOM 0 HH11 ARG A 69 13.565 -16.259 -5.443 1.00 0.00 H new ATOM 0 HH12 ARG A 69 13.858 -17.992 -5.268 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.499 -18.912 -5.959 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.117 -19.498 -5.561 1.00 0.00 H new ATOM 1029 N ALA A 70 8.726 -10.451 -3.085 1.00 0.00 N ATOM 1030 CA ALA A 70 8.772 -9.076 -2.617 1.00 0.00 C ATOM 1031 C ALA A 70 8.914 -9.065 -1.093 1.00 0.00 C ATOM 1032 O ALA A 70 8.779 -10.103 -0.446 1.00 0.00 O ATOM 1033 CB ALA A 70 7.523 -8.332 -3.091 1.00 0.00 C ATOM 0 H ALA A 70 7.797 -10.871 -3.082 1.00 0.00 H new ATOM 0 HA ALA A 70 9.636 -8.558 -3.033 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.558 -7.301 -2.739 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.484 -8.343 -4.180 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.635 -8.821 -2.692 1.00 0.00 H new ATOM 1039 N GLN A 71 9.184 -7.881 -0.564 1.00 0.00 N ATOM 1040 CA GLN A 71 9.346 -7.721 0.871 1.00 0.00 C ATOM 1041 C GLN A 71 8.522 -6.532 1.369 1.00 0.00 C ATOM 1042 O GLN A 71 8.459 -5.496 0.708 1.00 0.00 O ATOM 1043 CB GLN A 71 10.821 -7.560 1.242 1.00 0.00 C ATOM 1044 CG GLN A 71 11.483 -8.921 1.463 1.00 0.00 C ATOM 1045 CD GLN A 71 11.612 -9.233 2.955 1.00 0.00 C ATOM 1046 OE1 GLN A 71 10.668 -9.126 3.721 1.00 0.00 O ATOM 1047 NE2 GLN A 71 12.828 -9.625 3.323 1.00 0.00 N ATOM 0 H GLN A 71 9.295 -7.023 -1.104 1.00 0.00 H new ATOM 0 HA GLN A 71 8.979 -8.623 1.361 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.342 -7.023 0.450 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.908 -6.958 2.146 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.895 -9.699 0.975 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.470 -8.929 1.000 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.573 -9.693 2.630 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.015 -9.858 4.298 1.00 0.00 H new ATOM 1056 N GLY A 72 7.911 -6.721 2.529 1.00 0.00 N ATOM 1057 CA GLY A 72 7.094 -5.676 3.123 1.00 0.00 C ATOM 1058 C GLY A 72 7.475 -5.448 4.588 1.00 0.00 C ATOM 1059 O GLY A 72 7.343 -6.349 5.415 1.00 0.00 O ATOM 0 H GLY A 72 7.965 -7.582 3.074 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.219 -4.749 2.563 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.041 -5.950 3.056 1.00 0.00 H new ATOM 1063 N SER A 73 7.940 -4.239 4.863 1.00 0.00 N ATOM 1064 CA SER A 73 8.341 -3.881 6.213 1.00 0.00 C ATOM 1065 C SER A 73 7.782 -2.504 6.577 1.00 0.00 C ATOM 1066 O SER A 73 7.406 -1.731 5.698 1.00 0.00 O ATOM 1067 CB SER A 73 9.864 -3.890 6.356 1.00 0.00 C ATOM 1068 OG SER A 73 10.274 -3.766 7.715 1.00 0.00 O ATOM 0 H SER A 73 8.048 -3.495 4.174 1.00 0.00 H new ATOM 0 HA SER A 73 7.934 -4.624 6.899 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.262 -4.816 5.941 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.288 -3.072 5.774 1.00 0.00 H new ATOM 0 HG SER A 73 11.253 -3.778 7.764 1.00 0.00 H new ATOM 1074 N VAL A 74 7.746 -2.240 7.875 1.00 0.00 N ATOM 1075 CA VAL A 74 7.239 -0.970 8.366 1.00 0.00 C ATOM 1076 C VAL A 74 8.235 0.139 8.022 1.00 0.00 C ATOM 1077 O VAL A 74 9.411 -0.130 7.781 1.00 0.00 O ATOM 1078 CB VAL A 74 6.948 -1.067 9.865 1.00 0.00 C ATOM 1079 CG1 VAL A 74 6.637 0.311 10.454 1.00 0.00 C ATOM 1080 CG2 VAL A 74 5.809 -2.050 10.140 1.00 0.00 C ATOM 0 H VAL A 74 8.060 -2.884 8.601 1.00 0.00 H new ATOM 0 HA VAL A 74 6.295 -0.722 7.880 1.00 0.00 H new ATOM 0 HB VAL A 74 7.844 -1.447 10.356 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.434 0.213 11.520 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.492 0.971 10.306 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.764 0.731 9.955 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.623 -2.100 11.213 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.906 -1.713 9.630 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.085 -3.039 9.773 1.00 0.00 H new ATOM 1090 N ALA A 75 7.728 1.363 8.008 1.00 0.00 N ATOM 1091 CA ALA A 75 8.558 2.514 7.697 1.00 0.00 C ATOM 1092 C ALA A 75 8.805 3.321 8.973 1.00 0.00 C ATOM 1093 O ALA A 75 8.263 4.413 9.136 1.00 0.00 O ATOM 1094 CB ALA A 75 7.888 3.346 6.601 1.00 0.00 C ATOM 0 H ALA A 75 6.752 1.583 8.207 1.00 0.00 H new ATOM 0 HA ALA A 75 9.528 2.195 7.317 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.511 4.210 6.368 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.763 2.736 5.706 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.912 3.686 6.947 1.00 0.00 H new ATOM 1100 N PHE A 76 9.622 2.751 9.847 1.00 0.00 N ATOM 1101 CA PHE A 76 9.946 3.403 11.104 1.00 0.00 C ATOM 1102 C PHE A 76 10.586 4.772 10.863 1.00 0.00 C ATOM 1103 O PHE A 76 10.240 5.749 11.524 1.00 0.00 O ATOM 1104 CB PHE A 76 10.950 2.504 11.828 1.00 0.00 C ATOM 1105 CG PHE A 76 10.320 1.280 12.496 1.00 0.00 C ATOM 1106 CD1 PHE A 76 10.174 0.124 11.795 1.00 0.00 C ATOM 1107 CD2 PHE A 76 9.908 1.348 13.790 1.00 0.00 C ATOM 1108 CE1 PHE A 76 9.589 -1.013 12.414 1.00 0.00 C ATOM 1109 CE2 PHE A 76 9.323 0.211 14.409 1.00 0.00 C ATOM 1110 CZ PHE A 76 9.176 -0.945 13.708 1.00 0.00 C ATOM 0 H PHE A 76 10.069 1.845 9.709 1.00 0.00 H new ATOM 0 HA PHE A 76 9.039 3.554 11.689 1.00 0.00 H new ATOM 0 HB2 PHE A 76 11.703 2.169 11.114 1.00 0.00 H new ATOM 0 HB3 PHE A 76 11.469 3.092 12.585 1.00 0.00 H new ATOM 0 HD1 PHE A 76 10.503 0.070 10.768 1.00 0.00 H new ATOM 0 HD2 PHE A 76 10.025 2.266 14.347 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.472 -1.931 11.857 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.995 0.265 15.437 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.731 -1.809 14.179 1.00 0.00 H new ATOM 1120 N ASP A 77 11.510 4.798 9.913 1.00 0.00 N ATOM 1121 CA ASP A 77 12.202 6.030 9.576 1.00 0.00 C ATOM 1122 C ASP A 77 11.203 7.189 9.583 1.00 0.00 C ATOM 1123 O ASP A 77 11.332 8.119 10.378 1.00 0.00 O ATOM 1124 CB ASP A 77 12.821 5.950 8.179 1.00 0.00 C ATOM 1125 CG ASP A 77 13.658 7.165 7.772 1.00 0.00 C ATOM 1126 OD1 ASP A 77 13.372 8.256 8.310 1.00 0.00 O ATOM 1127 OD2 ASP A 77 14.564 6.974 6.932 1.00 0.00 O ATOM 0 H ASP A 77 11.795 3.985 9.366 1.00 0.00 H new ATOM 0 HA ASP A 77 12.991 6.186 10.312 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.449 5.061 8.127 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.021 5.818 7.450 1.00 0.00 H new ATOM 1132 N TYR A 78 10.229 7.096 8.690 1.00 0.00 N ATOM 1133 CA TYR A 78 9.209 8.125 8.584 1.00 0.00 C ATOM 1134 C TYR A 78 8.811 8.647 9.966 1.00 0.00 C ATOM 1135 O TYR A 78 8.351 7.883 10.813 1.00 0.00 O ATOM 1136 CB TYR A 78 7.997 7.452 7.937 1.00 0.00 C ATOM 1137 CG TYR A 78 7.221 8.357 6.978 1.00 0.00 C ATOM 1138 CD1 TYR A 78 7.223 9.724 7.165 1.00 0.00 C ATOM 1139 CD2 TYR A 78 6.518 7.806 5.926 1.00 0.00 C ATOM 1140 CE1 TYR A 78 6.493 10.576 6.263 1.00 0.00 C ATOM 1141 CE2 TYR A 78 5.788 8.658 5.023 1.00 0.00 C ATOM 1142 CZ TYR A 78 5.811 10.001 5.236 1.00 0.00 C ATOM 1143 OH TYR A 78 5.121 10.805 4.384 1.00 0.00 O ATOM 0 H TYR A 78 10.125 6.323 8.033 1.00 0.00 H new ATOM 0 HA TYR A 78 9.576 8.971 8.004 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.332 6.568 7.395 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.323 7.109 8.722 1.00 0.00 H new ATOM 0 HD1 TYR A 78 7.773 10.155 7.989 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.515 6.736 5.780 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.487 11.647 6.399 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.235 8.240 4.195 1.00 0.00 H new ATOM 0 HH TYR A 78 5.095 10.394 3.495 1.00 0.00 H new ATOM 1153 N ARG A 79 9.003 9.945 10.151 1.00 0.00 N ATOM 1154 CA ARG A 79 8.670 10.578 11.416 1.00 0.00 C ATOM 1155 C ARG A 79 7.338 11.322 11.302 1.00 0.00 C ATOM 1156 O ARG A 79 6.477 11.196 12.171 1.00 0.00 O ATOM 1157 CB ARG A 79 9.761 11.561 11.844 1.00 0.00 C ATOM 1158 CG ARG A 79 10.574 11.003 13.014 1.00 0.00 C ATOM 1159 CD ARG A 79 11.935 10.489 12.539 1.00 0.00 C ATOM 1160 NE ARG A 79 12.952 10.701 13.594 1.00 0.00 N ATOM 1161 CZ ARG A 79 13.425 11.904 13.949 1.00 0.00 C ATOM 1162 NH1 ARG A 79 12.977 13.008 13.337 1.00 0.00 N ATOM 1163 NH2 ARG A 79 14.347 12.001 14.917 1.00 0.00 N ATOM 0 H ARG A 79 9.385 10.576 9.446 1.00 0.00 H new ATOM 0 HA ARG A 79 8.589 9.794 12.169 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.422 11.765 11.002 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.308 12.510 12.131 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.716 11.779 13.766 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.022 10.194 13.492 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.868 9.429 12.295 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.231 11.008 11.627 1.00 0.00 H new ATOM 0 HE ARG A 79 13.315 9.881 14.081 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.275 12.934 12.600 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.337 13.923 13.608 1.00 0.00 H new ATOM 0 HH21 ARG A 79 14.688 11.160 15.383 1.00 0.00 H new ATOM 0 HH22 ARG A 79 14.708 12.916 15.188 1.00 0.00 H new ATOM 1177 N LYS A 80 7.212 12.082 10.224 1.00 0.00 N ATOM 1178 CA LYS A 80 5.999 12.846 9.985 1.00 0.00 C ATOM 1179 C LYS A 80 4.792 11.907 10.025 1.00 0.00 C ATOM 1180 O LYS A 80 4.142 11.769 11.061 1.00 0.00 O ATOM 1181 CB LYS A 80 6.115 13.643 8.684 1.00 0.00 C ATOM 1182 CG LYS A 80 7.081 14.818 8.845 1.00 0.00 C ATOM 1183 CD LYS A 80 6.535 16.074 8.163 1.00 0.00 C ATOM 1184 CE LYS A 80 6.161 17.140 9.195 1.00 0.00 C ATOM 1185 NZ LYS A 80 6.311 18.495 8.619 1.00 0.00 N ATOM 0 H LYS A 80 7.930 12.185 9.506 1.00 0.00 H new ATOM 0 HA LYS A 80 5.854 13.585 10.773 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.461 12.990 7.883 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.132 14.013 8.391 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.244 15.017 9.904 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.049 14.559 8.416 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.282 16.473 7.477 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.659 15.817 7.567 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.133 16.990 9.525 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.796 17.041 10.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.053 19.206 9.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.298 18.640 8.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.687 18.592 7.793 1.00 0.00 H new ATOM 1199 N ARG A 81 4.529 11.284 8.886 1.00 0.00 N ATOM 1200 CA ARG A 81 3.412 10.361 8.778 1.00 0.00 C ATOM 1201 C ARG A 81 3.644 9.140 9.670 1.00 0.00 C ATOM 1202 O ARG A 81 4.779 8.699 9.842 1.00 0.00 O ATOM 1203 CB ARG A 81 3.218 9.898 7.333 1.00 0.00 C ATOM 1204 CG ARG A 81 2.713 11.044 6.453 1.00 0.00 C ATOM 1205 CD ARG A 81 2.036 10.508 5.190 1.00 0.00 C ATOM 1206 NE ARG A 81 0.810 11.286 4.904 1.00 0.00 N ATOM 1207 CZ ARG A 81 0.801 12.474 4.284 1.00 0.00 C ATOM 1208 NH1 ARG A 81 1.953 13.027 3.881 1.00 0.00 N ATOM 1209 NH2 ARG A 81 -0.359 13.108 4.067 1.00 0.00 N ATOM 0 H ARG A 81 5.070 11.400 8.029 1.00 0.00 H new ATOM 0 HA ARG A 81 2.515 10.888 9.103 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.161 9.520 6.939 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.507 9.072 7.304 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.008 11.656 7.016 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.547 11.690 6.177 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.722 10.571 4.345 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.786 9.455 5.320 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.084 10.893 5.197 1.00 0.00 H new ATOM 0 HH11 ARG A 81 2.836 12.544 4.046 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.947 13.931 3.409 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.236 12.686 4.374 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.365 14.012 3.595 1.00 0.00 H new ATOM 1223 N LYS A 82 2.550 8.629 10.215 1.00 0.00 N ATOM 1224 CA LYS A 82 2.619 7.468 11.086 1.00 0.00 C ATOM 1225 C LYS A 82 1.968 6.273 10.388 1.00 0.00 C ATOM 1226 O LYS A 82 1.372 6.421 9.322 1.00 0.00 O ATOM 1227 CB LYS A 82 2.013 7.787 12.454 1.00 0.00 C ATOM 1228 CG LYS A 82 2.976 8.624 13.299 1.00 0.00 C ATOM 1229 CD LYS A 82 2.287 9.882 13.831 1.00 0.00 C ATOM 1230 CE LYS A 82 3.240 10.702 14.702 1.00 0.00 C ATOM 1231 NZ LYS A 82 2.768 12.101 14.811 1.00 0.00 N ATOM 0 H LYS A 82 1.610 8.998 10.070 1.00 0.00 H new ATOM 0 HA LYS A 82 3.657 7.198 11.279 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.075 8.327 12.323 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.777 6.860 12.976 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.346 8.028 14.133 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.842 8.905 12.699 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.937 10.490 12.997 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.408 9.602 14.412 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.309 10.257 15.695 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.242 10.682 14.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.426 12.644 15.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.725 12.528 13.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.821 12.115 15.241 1.00 0.00 H new ATOM 1245 N HIS A 83 2.103 5.115 11.017 1.00 0.00 N ATOM 1246 CA HIS A 83 1.534 3.894 10.470 1.00 0.00 C ATOM 1247 C HIS A 83 1.825 3.821 8.969 1.00 0.00 C ATOM 1248 O HIS A 83 0.905 3.839 8.153 1.00 0.00 O ATOM 1249 CB HIS A 83 0.041 3.800 10.789 1.00 0.00 C ATOM 1250 CG HIS A 83 -0.435 4.813 11.803 1.00 0.00 C ATOM 1251 ND1 HIS A 83 -1.147 5.965 11.644 1.00 0.00 N flip ATOM 1252 CD2 HIS A 83 -0.187 4.691 13.159 1.00 0.00 C flip ATOM 1253 CE1 HIS A 83 -1.324 6.517 12.838 1.00 0.00 C flip ATOM 1254 NE2 HIS A 83 -0.729 5.728 13.778 1.00 0.00 N flip ATOM 0 H HIS A 83 2.598 4.996 11.901 1.00 0.00 H new ATOM 0 HA HIS A 83 2.002 3.028 10.939 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -0.526 3.930 9.867 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -0.179 2.799 11.160 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.356 3.886 13.632 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -1.852 7.439 13.033 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -0.706 5.906 14.782 1.00 0.00 H new ATOM 1262 N VAL A 84 3.109 3.740 8.651 1.00 0.00 N ATOM 1263 CA VAL A 84 3.533 3.663 7.264 1.00 0.00 C ATOM 1264 C VAL A 84 4.548 2.529 7.106 1.00 0.00 C ATOM 1265 O VAL A 84 5.426 2.356 7.950 1.00 0.00 O ATOM 1266 CB VAL A 84 4.076 5.019 6.807 1.00 0.00 C ATOM 1267 CG1 VAL A 84 4.562 4.955 5.358 1.00 0.00 C ATOM 1268 CG2 VAL A 84 3.026 6.118 6.984 1.00 0.00 C ATOM 0 H VAL A 84 3.869 3.726 9.331 1.00 0.00 H new ATOM 0 HA VAL A 84 2.686 3.432 6.619 1.00 0.00 H new ATOM 0 HB VAL A 84 4.931 5.267 7.437 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.943 5.931 5.058 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.357 4.214 5.273 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.733 4.674 4.708 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.437 7.071 6.652 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.144 5.877 6.391 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.748 6.190 8.035 1.00 0.00 H new ATOM 1278 N PHE A 85 4.394 1.787 6.020 1.00 0.00 N ATOM 1279 CA PHE A 85 5.286 0.674 5.742 1.00 0.00 C ATOM 1280 C PHE A 85 5.869 0.779 4.331 1.00 0.00 C ATOM 1281 O PHE A 85 5.226 1.312 3.428 1.00 0.00 O ATOM 1282 CB PHE A 85 4.452 -0.604 5.842 1.00 0.00 C ATOM 1283 CG PHE A 85 3.197 -0.599 4.966 1.00 0.00 C ATOM 1284 CD1 PHE A 85 2.159 0.224 5.270 1.00 0.00 C ATOM 1285 CD2 PHE A 85 3.121 -1.419 3.883 1.00 0.00 C ATOM 1286 CE1 PHE A 85 0.995 0.229 4.457 1.00 0.00 C ATOM 1287 CE2 PHE A 85 1.957 -1.414 3.070 1.00 0.00 C ATOM 1288 CZ PHE A 85 0.918 -0.590 3.374 1.00 0.00 C ATOM 0 H PHE A 85 3.665 1.934 5.322 1.00 0.00 H new ATOM 0 HA PHE A 85 6.114 0.675 6.450 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.074 -1.454 5.563 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.157 -0.753 6.881 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.220 0.874 6.130 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.946 -2.073 3.642 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.171 0.883 4.699 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.896 -2.065 2.210 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.033 -0.586 2.756 1.00 0.00 H new ATOM 1298 N LYS A 86 7.080 0.262 4.186 1.00 0.00 N ATOM 1299 CA LYS A 86 7.757 0.290 2.900 1.00 0.00 C ATOM 1300 C LYS A 86 7.602 -1.070 2.217 1.00 0.00 C ATOM 1301 O LYS A 86 7.716 -2.110 2.864 1.00 0.00 O ATOM 1302 CB LYS A 86 9.212 0.731 3.071 1.00 0.00 C ATOM 1303 CG LYS A 86 9.926 0.799 1.719 1.00 0.00 C ATOM 1304 CD LYS A 86 11.358 1.314 1.881 1.00 0.00 C ATOM 1305 CE LYS A 86 11.444 2.807 1.556 1.00 0.00 C ATOM 1306 NZ LYS A 86 12.812 3.313 1.802 1.00 0.00 N ATOM 0 H LYS A 86 7.610 -0.179 4.938 1.00 0.00 H new ATOM 0 HA LYS A 86 7.299 1.030 2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.246 1.708 3.554 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.733 0.033 3.727 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.941 -0.190 1.261 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.374 1.454 1.045 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.697 1.140 2.902 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.025 0.756 1.224 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.170 2.975 0.515 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.730 3.360 2.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.853 4.327 1.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.060 3.170 2.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.486 2.797 1.201 1.00 0.00 H new ATOM 1320 N LEU A 87 7.345 -1.018 0.918 1.00 0.00 N ATOM 1321 CA LEU A 87 7.173 -2.233 0.140 1.00 0.00 C ATOM 1322 C LEU A 87 8.199 -2.256 -0.995 1.00 0.00 C ATOM 1323 O LEU A 87 8.075 -1.509 -1.964 1.00 0.00 O ATOM 1324 CB LEU A 87 5.726 -2.364 -0.337 1.00 0.00 C ATOM 1325 CG LEU A 87 5.432 -3.536 -1.276 1.00 0.00 C ATOM 1326 CD1 LEU A 87 5.530 -4.870 -0.534 1.00 0.00 C ATOM 1327 CD2 LEU A 87 4.077 -3.360 -1.964 1.00 0.00 C ATOM 0 H LEU A 87 7.252 -0.153 0.385 1.00 0.00 H new ATOM 0 HA LEU A 87 7.361 -3.111 0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.083 -2.456 0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.446 -1.440 -0.843 1.00 0.00 H new ATOM 0 HG LEU A 87 6.191 -3.547 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.317 -5.687 -1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.536 -4.989 -0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.808 -4.886 0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.892 -4.206 -2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.290 -3.310 -1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.081 -2.438 -2.546 1.00 0.00 H new ATOM 1339 N GLY A 88 9.190 -3.122 -0.837 1.00 0.00 N ATOM 1340 CA GLY A 88 10.237 -3.252 -1.836 1.00 0.00 C ATOM 1341 C GLY A 88 10.083 -4.554 -2.625 1.00 0.00 C ATOM 1342 O GLY A 88 10.216 -5.641 -2.065 1.00 0.00 O ATOM 0 H GLY A 88 9.290 -3.740 -0.032 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.201 -2.403 -2.518 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.213 -3.230 -1.351 1.00 0.00 H new ATOM 1346 N LEU A 89 9.806 -4.400 -3.911 1.00 0.00 N ATOM 1347 CA LEU A 89 9.633 -5.551 -4.782 1.00 0.00 C ATOM 1348 C LEU A 89 11.004 -6.144 -5.113 1.00 0.00 C ATOM 1349 O LEU A 89 12.033 -5.602 -4.713 1.00 0.00 O ATOM 1350 CB LEU A 89 8.813 -5.170 -6.016 1.00 0.00 C ATOM 1351 CG LEU A 89 7.531 -4.378 -5.751 1.00 0.00 C ATOM 1352 CD1 LEU A 89 6.525 -4.567 -6.888 1.00 0.00 C ATOM 1353 CD2 LEU A 89 6.934 -4.740 -4.390 1.00 0.00 C ATOM 0 H LEU A 89 9.697 -3.496 -4.371 1.00 0.00 H new ATOM 0 HA LEU A 89 9.062 -6.330 -4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.447 -4.585 -6.682 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.549 -6.084 -6.548 1.00 0.00 H new ATOM 0 HG LEU A 89 7.784 -3.318 -5.719 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.623 -3.994 -6.675 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.963 -4.219 -7.823 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.271 -5.623 -6.977 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.024 -4.163 -4.227 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.698 -5.804 -4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.654 -4.511 -3.604 1.00 0.00 H new ATOM 1365 N GLN A 90 10.974 -7.251 -5.842 1.00 0.00 N ATOM 1366 CA GLN A 90 12.201 -7.924 -6.231 1.00 0.00 C ATOM 1367 C GLN A 90 12.819 -7.236 -7.450 1.00 0.00 C ATOM 1368 O GLN A 90 13.989 -7.452 -7.762 1.00 0.00 O ATOM 1369 CB GLN A 90 11.948 -9.407 -6.508 1.00 0.00 C ATOM 1370 CG GLN A 90 10.760 -9.595 -7.453 1.00 0.00 C ATOM 1371 CD GLN A 90 10.927 -10.858 -8.300 1.00 0.00 C ATOM 1372 OE1 GLN A 90 11.850 -11.636 -8.125 1.00 0.00 O ATOM 1373 NE2 GLN A 90 9.985 -11.017 -9.226 1.00 0.00 N ATOM 0 H GLN A 90 10.119 -7.698 -6.173 1.00 0.00 H new ATOM 0 HA GLN A 90 12.908 -7.858 -5.404 1.00 0.00 H new ATOM 0 HB2 GLN A 90 12.840 -9.856 -6.946 1.00 0.00 H new ATOM 0 HB3 GLN A 90 11.757 -9.928 -5.570 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.838 -9.660 -6.875 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.668 -8.726 -8.104 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.240 -10.327 -9.319 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.008 -11.829 -9.843 1.00 0.00 H new ATOM 1382 N ASP A 91 12.006 -6.422 -8.107 1.00 0.00 N ATOM 1383 CA ASP A 91 12.458 -5.702 -9.284 1.00 0.00 C ATOM 1384 C ASP A 91 13.110 -4.386 -8.853 1.00 0.00 C ATOM 1385 O ASP A 91 13.382 -3.522 -9.685 1.00 0.00 O ATOM 1386 CB ASP A 91 11.286 -5.368 -10.210 1.00 0.00 C ATOM 1387 CG ASP A 91 11.252 -6.157 -11.520 1.00 0.00 C ATOM 1388 OD1 ASP A 91 12.307 -6.194 -12.188 1.00 0.00 O ATOM 1389 OD2 ASP A 91 10.170 -6.706 -11.824 1.00 0.00 O ATOM 0 H ASP A 91 11.036 -6.245 -7.846 1.00 0.00 H new ATOM 0 HA ASP A 91 13.168 -6.336 -9.815 1.00 0.00 H new ATOM 0 HB2 ASP A 91 10.355 -5.546 -9.672 1.00 0.00 H new ATOM 0 HB3 ASP A 91 11.320 -4.304 -10.445 1.00 0.00 H new ATOM 1394 N GLY A 92 13.341 -4.276 -7.553 1.00 0.00 N ATOM 1395 CA GLY A 92 13.956 -3.080 -7.002 1.00 0.00 C ATOM 1396 C GLY A 92 12.961 -1.919 -6.966 1.00 0.00 C ATOM 1397 O GLY A 92 13.357 -0.755 -7.018 1.00 0.00 O ATOM 0 H GLY A 92 13.114 -4.995 -6.866 1.00 0.00 H new ATOM 0 HA2 GLY A 92 14.319 -3.284 -5.995 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.822 -2.803 -7.602 1.00 0.00 H new ATOM 1401 N LYS A 93 11.688 -2.275 -6.878 1.00 0.00 N ATOM 1402 CA LYS A 93 10.633 -1.277 -6.834 1.00 0.00 C ATOM 1403 C LYS A 93 10.204 -1.057 -5.382 1.00 0.00 C ATOM 1404 O LYS A 93 9.655 -1.958 -4.750 1.00 0.00 O ATOM 1405 CB LYS A 93 9.482 -1.672 -7.762 1.00 0.00 C ATOM 1406 CG LYS A 93 9.118 -0.523 -8.705 1.00 0.00 C ATOM 1407 CD LYS A 93 8.029 -0.948 -9.692 1.00 0.00 C ATOM 1408 CE LYS A 93 8.622 -1.752 -10.851 1.00 0.00 C ATOM 1409 NZ LYS A 93 8.685 -0.924 -12.076 1.00 0.00 N ATOM 0 H LYS A 93 11.363 -3.241 -6.836 1.00 0.00 H new ATOM 0 HA LYS A 93 10.999 -0.320 -7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.764 -2.549 -8.344 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.611 -1.950 -7.169 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.774 0.333 -8.125 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.004 -0.202 -9.252 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.279 -1.547 -9.176 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.520 -0.065 -10.080 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.621 -2.099 -10.587 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.015 -2.639 -11.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.912 -1.194 -12.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.590 0.080 -11.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.598 -1.076 -12.551 1.00 0.00 H new ATOM 1423 N GLU A 94 10.471 0.146 -4.896 1.00 0.00 N ATOM 1424 CA GLU A 94 10.119 0.496 -3.530 1.00 0.00 C ATOM 1425 C GLU A 94 8.927 1.455 -3.517 1.00 0.00 C ATOM 1426 O GLU A 94 8.888 2.413 -4.287 1.00 0.00 O ATOM 1427 CB GLU A 94 11.316 1.100 -2.793 1.00 0.00 C ATOM 1428 CG GLU A 94 11.624 0.320 -1.514 1.00 0.00 C ATOM 1429 CD GLU A 94 13.080 0.518 -1.087 1.00 0.00 C ATOM 1430 OE1 GLU A 94 13.556 1.667 -1.210 1.00 0.00 O ATOM 1431 OE2 GLU A 94 13.683 -0.484 -0.647 1.00 0.00 O ATOM 0 H GLU A 94 10.927 0.891 -5.423 1.00 0.00 H new ATOM 0 HA GLU A 94 9.833 -0.415 -3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.189 1.095 -3.445 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.108 2.141 -2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.959 0.648 -0.715 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.430 -0.740 -1.675 1.00 0.00 H new ATOM 1438 N TYR A 95 7.982 1.162 -2.635 1.00 0.00 N ATOM 1439 CA TYR A 95 6.792 1.986 -2.512 1.00 0.00 C ATOM 1440 C TYR A 95 6.489 2.297 -1.045 1.00 0.00 C ATOM 1441 O TYR A 95 6.854 1.529 -0.156 1.00 0.00 O ATOM 1442 CB TYR A 95 5.644 1.158 -3.093 1.00 0.00 C ATOM 1443 CG TYR A 95 5.713 0.977 -4.611 1.00 0.00 C ATOM 1444 CD1 TYR A 95 5.291 1.991 -5.446 1.00 0.00 C ATOM 1445 CD2 TYR A 95 6.197 -0.200 -5.144 1.00 0.00 C ATOM 1446 CE1 TYR A 95 5.356 1.821 -6.875 1.00 0.00 C ATOM 1447 CE2 TYR A 95 6.262 -0.370 -6.573 1.00 0.00 C ATOM 1448 CZ TYR A 95 5.838 0.649 -7.368 1.00 0.00 C ATOM 1449 OH TYR A 95 5.899 0.489 -8.717 1.00 0.00 O ATOM 0 H TYR A 95 8.017 0.365 -1.999 1.00 0.00 H new ATOM 0 HA TYR A 95 6.927 2.935 -3.031 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.642 0.176 -2.620 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.699 1.637 -2.837 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.912 2.912 -5.028 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.527 -0.994 -4.490 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.029 2.607 -7.540 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.639 -1.286 -7.003 1.00 0.00 H new ATOM 0 HH TYR A 95 5.563 1.297 -9.158 1.00 0.00 H new ATOM 1459 N LEU A 96 5.825 3.425 -0.837 1.00 0.00 N ATOM 1460 CA LEU A 96 5.470 3.846 0.507 1.00 0.00 C ATOM 1461 C LEU A 96 3.948 3.973 0.611 1.00 0.00 C ATOM 1462 O LEU A 96 3.329 4.710 -0.154 1.00 0.00 O ATOM 1463 CB LEU A 96 6.220 5.126 0.883 1.00 0.00 C ATOM 1464 CG LEU A 96 7.692 4.953 1.262 1.00 0.00 C ATOM 1465 CD1 LEU A 96 8.333 6.300 1.601 1.00 0.00 C ATOM 1466 CD2 LEU A 96 7.850 3.941 2.399 1.00 0.00 C ATOM 0 H LEU A 96 5.524 4.060 -1.577 1.00 0.00 H new ATOM 0 HA LEU A 96 5.779 3.096 1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.160 5.819 0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.702 5.594 1.720 1.00 0.00 H new ATOM 0 HG LEU A 96 8.222 4.552 0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.379 6.148 1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.270 6.961 0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.807 6.752 2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.906 3.837 2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.302 4.289 3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.455 2.975 2.084 1.00 0.00 H new ATOM 1478 N PHE A 97 3.390 3.242 1.565 1.00 0.00 N ATOM 1479 CA PHE A 97 1.953 3.262 1.779 1.00 0.00 C ATOM 1480 C PHE A 97 1.618 3.693 3.208 1.00 0.00 C ATOM 1481 O PHE A 97 2.148 3.137 4.169 1.00 0.00 O ATOM 1482 CB PHE A 97 1.447 1.836 1.557 1.00 0.00 C ATOM 1483 CG PHE A 97 1.627 1.327 0.126 1.00 0.00 C ATOM 1484 CD1 PHE A 97 0.715 1.650 -0.830 1.00 0.00 C ATOM 1485 CD2 PHE A 97 2.699 0.552 -0.191 1.00 0.00 C ATOM 1486 CE1 PHE A 97 0.883 1.178 -2.159 1.00 0.00 C ATOM 1487 CE2 PHE A 97 2.866 0.080 -1.519 1.00 0.00 C ATOM 1488 CZ PHE A 97 1.954 0.402 -2.476 1.00 0.00 C ATOM 0 H PHE A 97 3.907 2.632 2.198 1.00 0.00 H new ATOM 0 HA PHE A 97 1.485 3.970 1.095 1.00 0.00 H new ATOM 0 HB2 PHE A 97 1.971 1.166 2.239 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.389 1.792 1.817 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.136 2.265 -0.579 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.423 0.296 0.568 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.160 1.436 -2.919 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.717 -0.535 -1.770 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.080 0.042 -3.486 1.00 0.00 H new ATOM 1498 N GLN A 98 0.740 4.680 3.304 1.00 0.00 N ATOM 1499 CA GLN A 98 0.327 5.192 4.600 1.00 0.00 C ATOM 1500 C GLN A 98 -1.055 4.651 4.970 1.00 0.00 C ATOM 1501 O GLN A 98 -2.053 5.007 4.344 1.00 0.00 O ATOM 1502 CB GLN A 98 0.339 6.722 4.614 1.00 0.00 C ATOM 1503 CG GLN A 98 -0.058 7.261 5.990 1.00 0.00 C ATOM 1504 CD GLN A 98 -0.581 8.695 5.888 1.00 0.00 C ATOM 1505 OE1 GLN A 98 -1.108 9.119 4.873 1.00 0.00 O ATOM 1506 NE2 GLN A 98 -0.408 9.414 6.993 1.00 0.00 N ATOM 0 H GLN A 98 0.303 5.139 2.505 1.00 0.00 H new ATOM 0 HA GLN A 98 1.041 4.849 5.348 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.333 7.084 4.351 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.349 7.102 3.858 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.824 6.621 6.428 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.803 7.231 6.658 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.041 8.996 7.808 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.725 10.383 7.026 1.00 0.00 H new ATOM 1515 N ALA A 99 -1.070 3.799 5.984 1.00 0.00 N ATOM 1516 CA ALA A 99 -2.314 3.205 6.444 1.00 0.00 C ATOM 1517 C ALA A 99 -3.108 4.245 7.237 1.00 0.00 C ATOM 1518 O ALA A 99 -2.641 5.364 7.442 1.00 0.00 O ATOM 1519 CB ALA A 99 -2.008 1.953 7.268 1.00 0.00 C ATOM 0 H ALA A 99 -0.241 3.506 6.500 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.928 2.896 5.598 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.941 1.507 7.613 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.469 1.234 6.651 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.396 2.224 8.128 1.00 0.00 H new ATOM 1525 N LYS A 100 -4.295 3.838 7.662 1.00 0.00 N ATOM 1526 CA LYS A 100 -5.159 4.721 8.428 1.00 0.00 C ATOM 1527 C LYS A 100 -4.726 4.702 9.896 1.00 0.00 C ATOM 1528 O LYS A 100 -4.958 5.664 10.627 1.00 0.00 O ATOM 1529 CB LYS A 100 -6.628 4.350 8.215 1.00 0.00 C ATOM 1530 CG LYS A 100 -6.999 3.098 9.012 1.00 0.00 C ATOM 1531 CD LYS A 100 -8.227 3.350 9.889 1.00 0.00 C ATOM 1532 CE LYS A 100 -8.558 2.119 10.736 1.00 0.00 C ATOM 1533 NZ LYS A 100 -9.702 1.382 10.154 1.00 0.00 N ATOM 0 H LYS A 100 -4.679 2.909 7.491 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.060 5.749 8.079 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.264 5.181 8.519 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.813 4.178 7.155 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.199 2.273 8.328 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.158 2.797 9.636 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.044 4.205 10.540 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -9.081 3.604 9.261 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.688 1.465 10.793 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.795 2.424 11.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.913 0.550 10.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.535 2.004 10.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.462 1.074 9.190 1.00 0.00 H new ATOM 1547 N ASP A 101 -4.105 3.598 10.283 1.00 0.00 N ATOM 1548 CA ASP A 101 -3.638 3.442 11.650 1.00 0.00 C ATOM 1549 C ASP A 101 -2.755 2.196 11.744 1.00 0.00 C ATOM 1550 O ASP A 101 -2.484 1.546 10.735 1.00 0.00 O ATOM 1551 CB ASP A 101 -4.812 3.263 12.616 1.00 0.00 C ATOM 1552 CG ASP A 101 -5.636 4.527 12.872 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -5.272 5.259 13.818 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -6.611 4.731 12.117 1.00 0.00 O ATOM 0 H ASP A 101 -3.914 2.803 9.674 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.081 4.339 11.920 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.472 2.490 12.223 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.427 2.899 13.569 1.00 0.00 H new ATOM 1559 N GLU A 102 -2.331 1.900 12.964 1.00 0.00 N ATOM 1560 CA GLU A 102 -1.485 0.744 13.202 1.00 0.00 C ATOM 1561 C GLU A 102 -2.153 -0.523 12.664 1.00 0.00 C ATOM 1562 O GLU A 102 -1.514 -1.324 11.982 1.00 0.00 O ATOM 1563 CB GLU A 102 -1.157 0.601 14.690 1.00 0.00 C ATOM 1564 CG GLU A 102 -0.077 1.600 15.112 1.00 0.00 C ATOM 1565 CD GLU A 102 0.386 1.333 16.545 1.00 0.00 C ATOM 1566 OE1 GLU A 102 1.050 0.293 16.743 1.00 0.00 O ATOM 1567 OE2 GLU A 102 0.066 2.176 17.411 1.00 0.00 O ATOM 0 H GLU A 102 -2.558 2.441 13.798 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.546 0.890 12.669 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.058 0.762 15.282 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.818 -0.414 14.895 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.773 1.531 14.433 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.466 2.615 15.035 1.00 0.00 H new ATOM 1574 N ALA A 103 -3.429 -0.665 12.990 1.00 0.00 N ATOM 1575 CA ALA A 103 -4.190 -1.821 12.548 1.00 0.00 C ATOM 1576 C ALA A 103 -4.103 -1.931 11.024 1.00 0.00 C ATOM 1577 O ALA A 103 -3.438 -2.823 10.500 1.00 0.00 O ATOM 1578 CB ALA A 103 -5.633 -1.702 13.042 1.00 0.00 C ATOM 0 H ALA A 103 -3.955 0.001 13.555 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.776 -2.737 12.969 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -6.204 -2.569 12.710 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.642 -1.656 14.131 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.083 -0.795 12.637 1.00 0.00 H new ATOM 1584 N GLU A 104 -4.785 -1.012 10.357 1.00 0.00 N ATOM 1585 CA GLU A 104 -4.793 -0.995 8.904 1.00 0.00 C ATOM 1586 C GLU A 104 -3.408 -1.350 8.361 1.00 0.00 C ATOM 1587 O GLU A 104 -3.286 -2.159 7.442 1.00 0.00 O ATOM 1588 CB GLU A 104 -5.258 0.363 8.374 1.00 0.00 C ATOM 1589 CG GLU A 104 -5.388 0.342 6.850 1.00 0.00 C ATOM 1590 CD GLU A 104 -6.856 0.270 6.426 1.00 0.00 C ATOM 1591 OE1 GLU A 104 -7.367 -0.867 6.340 1.00 0.00 O ATOM 1592 OE2 GLU A 104 -7.434 1.355 6.197 1.00 0.00 O ATOM 0 H GLU A 104 -5.336 -0.274 10.796 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.502 -1.746 8.556 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.218 0.622 8.821 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.549 1.136 8.671 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.928 1.236 6.430 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.847 -0.514 6.447 1.00 0.00 H new ATOM 1599 N MET A 105 -2.398 -0.728 8.953 1.00 0.00 N ATOM 1600 CA MET A 105 -1.026 -0.969 8.540 1.00 0.00 C ATOM 1601 C MET A 105 -0.621 -2.421 8.803 1.00 0.00 C ATOM 1602 O MET A 105 -0.410 -3.190 7.867 1.00 0.00 O ATOM 1603 CB MET A 105 -0.091 -0.031 9.305 1.00 0.00 C ATOM 1604 CG MET A 105 1.199 0.218 8.520 1.00 0.00 C ATOM 1605 SD MET A 105 2.448 0.898 9.598 1.00 0.00 S ATOM 1606 CE MET A 105 3.105 -0.607 10.299 1.00 0.00 C ATOM 0 H MET A 105 -2.503 -0.058 9.715 1.00 0.00 H new ATOM 0 HA MET A 105 -0.950 -0.779 7.469 1.00 0.00 H new ATOM 0 HB2 MET A 105 -0.595 0.917 9.493 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.148 -0.463 10.277 1.00 0.00 H new ATOM 0 HG2 MET A 105 1.554 -0.715 8.082 1.00 0.00 H new ATOM 0 HG3 MET A 105 1.006 0.904 7.695 1.00 0.00 H new ATOM 0 HE1 MET A 105 3.981 -0.374 10.904 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.347 -1.078 10.925 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.388 -1.289 9.497 1.00 0.00 H new ATOM 1616 N SER A 106 -0.523 -2.751 10.083 1.00 0.00 N ATOM 1617 CA SER A 106 -0.147 -4.097 10.481 1.00 0.00 C ATOM 1618 C SER A 106 -0.887 -5.124 9.622 1.00 0.00 C ATOM 1619 O SER A 106 -0.285 -6.080 9.136 1.00 0.00 O ATOM 1620 CB SER A 106 -0.441 -4.335 11.964 1.00 0.00 C ATOM 1621 OG SER A 106 0.736 -4.247 12.763 1.00 0.00 O ATOM 0 H SER A 106 -0.697 -2.110 10.857 1.00 0.00 H new ATOM 0 HA SER A 106 0.926 -4.211 10.328 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.170 -3.603 12.311 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.892 -5.319 12.091 1.00 0.00 H new ATOM 0 HG SER A 106 0.506 -4.403 13.703 1.00 0.00 H new ATOM 1627 N SER A 107 -2.181 -4.890 9.460 1.00 0.00 N ATOM 1628 CA SER A 107 -3.009 -5.783 8.668 1.00 0.00 C ATOM 1629 C SER A 107 -2.417 -5.939 7.266 1.00 0.00 C ATOM 1630 O SER A 107 -2.159 -7.056 6.818 1.00 0.00 O ATOM 1631 CB SER A 107 -4.448 -5.269 8.582 1.00 0.00 C ATOM 1632 OG SER A 107 -5.372 -6.164 9.194 1.00 0.00 O ATOM 0 H SER A 107 -2.676 -4.095 9.864 1.00 0.00 H new ATOM 0 HA SER A 107 -3.028 -6.756 9.158 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.514 -4.294 9.065 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.720 -5.126 7.536 1.00 0.00 H new ATOM 0 HG SER A 107 -6.279 -5.799 9.120 1.00 0.00 H new ATOM 1638 N TRP A 108 -2.219 -4.804 6.612 1.00 0.00 N ATOM 1639 CA TRP A 108 -1.662 -4.801 5.270 1.00 0.00 C ATOM 1640 C TRP A 108 -0.481 -5.772 5.246 1.00 0.00 C ATOM 1641 O TRP A 108 -0.522 -6.790 4.555 1.00 0.00 O ATOM 1642 CB TRP A 108 -1.280 -3.384 4.838 1.00 0.00 C ATOM 1643 CG TRP A 108 -2.403 -2.626 4.126 1.00 0.00 C ATOM 1644 CD1 TRP A 108 -3.101 -1.574 4.573 1.00 0.00 C ATOM 1645 CD2 TRP A 108 -2.932 -2.908 2.813 1.00 0.00 C ATOM 1646 NE1 TRP A 108 -4.037 -1.158 3.649 1.00 0.00 N ATOM 1647 CE2 TRP A 108 -3.931 -1.995 2.544 1.00 0.00 C ATOM 1648 CE3 TRP A 108 -2.578 -3.901 1.883 1.00 0.00 C ATOM 1649 CZ2 TRP A 108 -4.659 -1.984 1.348 1.00 0.00 C ATOM 1650 CZ3 TRP A 108 -3.314 -3.877 0.693 1.00 0.00 C ATOM 1651 CH2 TRP A 108 -4.323 -2.965 0.407 1.00 0.00 C ATOM 0 H TRP A 108 -2.434 -3.880 6.986 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.403 -5.136 4.544 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -0.974 -2.817 5.717 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -0.415 -3.438 4.176 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -2.950 -1.110 5.536 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -4.687 -0.380 3.757 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -1.799 -4.625 2.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -5.437 -1.259 1.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -3.082 -4.620 -0.056 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -4.846 -3.013 -0.537 1.00 0.00 H new ATOM 1662 N LEU A 109 0.546 -5.425 6.008 1.00 0.00 N ATOM 1663 CA LEU A 109 1.737 -6.253 6.084 1.00 0.00 C ATOM 1664 C LEU A 109 1.325 -7.723 6.189 1.00 0.00 C ATOM 1665 O LEU A 109 1.799 -8.560 5.423 1.00 0.00 O ATOM 1666 CB LEU A 109 2.644 -5.785 7.224 1.00 0.00 C ATOM 1667 CG LEU A 109 3.539 -4.583 6.919 1.00 0.00 C ATOM 1668 CD1 LEU A 109 4.831 -5.022 6.228 1.00 0.00 C ATOM 1669 CD2 LEU A 109 2.784 -3.530 6.105 1.00 0.00 C ATOM 0 H LEU A 109 0.577 -4.580 6.579 1.00 0.00 H new ATOM 0 HA LEU A 109 2.330 -6.152 5.175 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.018 -5.538 8.082 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.279 -6.619 7.522 1.00 0.00 H new ATOM 0 HG LEU A 109 3.821 -4.119 7.864 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.449 -4.148 6.023 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.376 -5.707 6.877 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.590 -5.524 5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.443 -2.686 5.902 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.453 -3.967 5.163 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.918 -3.186 6.670 1.00 0.00 H new ATOM 1681 N ARG A 110 0.447 -7.991 7.144 1.00 0.00 N ATOM 1682 CA ARG A 110 -0.034 -9.345 7.359 1.00 0.00 C ATOM 1683 C ARG A 110 -0.642 -9.904 6.071 1.00 0.00 C ATOM 1684 O ARG A 110 -0.499 -11.089 5.776 1.00 0.00 O ATOM 1685 CB ARG A 110 -1.085 -9.386 8.470 1.00 0.00 C ATOM 1686 CG ARG A 110 -1.753 -10.761 8.543 1.00 0.00 C ATOM 1687 CD ARG A 110 -2.695 -10.850 9.745 1.00 0.00 C ATOM 1688 NE ARG A 110 -4.045 -10.379 9.366 1.00 0.00 N ATOM 1689 CZ ARG A 110 -4.922 -11.104 8.658 1.00 0.00 C ATOM 1690 NH1 ARG A 110 -4.596 -12.337 8.247 1.00 0.00 N ATOM 1691 NH2 ARG A 110 -6.126 -10.596 8.360 1.00 0.00 N ATOM 0 H ARG A 110 0.056 -7.294 7.778 1.00 0.00 H new ATOM 0 HA ARG A 110 0.818 -9.956 7.657 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.617 -9.154 9.427 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.840 -8.620 8.290 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.310 -10.948 7.625 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.990 -11.536 8.616 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.747 -11.879 10.102 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.308 -10.247 10.566 1.00 0.00 H new ATOM 0 HE ARG A 110 -4.326 -9.444 9.662 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -3.680 -12.724 8.473 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.264 -12.888 7.708 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.375 -9.657 8.672 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -6.793 -11.148 7.821 1.00 0.00 H new ATOM 1705 N VAL A 111 -1.307 -9.023 5.338 1.00 0.00 N ATOM 1706 CA VAL A 111 -1.937 -9.413 4.088 1.00 0.00 C ATOM 1707 C VAL A 111 -0.871 -9.522 2.996 1.00 0.00 C ATOM 1708 O VAL A 111 -0.684 -10.587 2.410 1.00 0.00 O ATOM 1709 CB VAL A 111 -3.055 -8.429 3.736 1.00 0.00 C ATOM 1710 CG1 VAL A 111 -3.887 -8.943 2.559 1.00 0.00 C ATOM 1711 CG2 VAL A 111 -3.940 -8.147 4.951 1.00 0.00 C ATOM 0 H VAL A 111 -1.423 -8.040 5.586 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.403 -10.393 4.185 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.592 -7.490 3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.674 -8.225 2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.245 -9.069 1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.335 -9.901 2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.726 -7.445 4.673 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.390 -9.077 5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.335 -7.717 5.750 1.00 0.00 H new ATOM 1721 N VAL A 112 -0.199 -8.406 2.757 1.00 0.00 N ATOM 1722 CA VAL A 112 0.844 -8.362 1.746 1.00 0.00 C ATOM 1723 C VAL A 112 1.754 -9.581 1.906 1.00 0.00 C ATOM 1724 O VAL A 112 2.199 -10.163 0.917 1.00 0.00 O ATOM 1725 CB VAL A 112 1.601 -7.035 1.831 1.00 0.00 C ATOM 1726 CG1 VAL A 112 2.773 -7.008 0.848 1.00 0.00 C ATOM 1727 CG2 VAL A 112 0.660 -5.851 1.597 1.00 0.00 C ATOM 0 H VAL A 112 -0.356 -7.525 3.246 1.00 0.00 H new ATOM 0 HA VAL A 112 0.410 -8.409 0.747 1.00 0.00 H new ATOM 0 HB VAL A 112 2.008 -6.945 2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 112 3.294 -6.054 0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 112 3.463 -7.819 1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 112 2.399 -7.132 -0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 112 1.223 -4.920 1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 112 0.210 -5.934 0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -0.125 -5.855 2.354 1.00 0.00 H new ATOM 1737 N ASN A 113 2.005 -9.932 3.159 1.00 0.00 N ATOM 1738 CA ASN A 113 2.855 -11.071 3.461 1.00 0.00 C ATOM 1739 C ASN A 113 2.117 -12.362 3.102 1.00 0.00 C ATOM 1740 O ASN A 113 2.727 -13.320 2.631 1.00 0.00 O ATOM 1741 CB ASN A 113 3.198 -11.122 4.951 1.00 0.00 C ATOM 1742 CG ASN A 113 4.512 -10.392 5.237 1.00 0.00 C ATOM 1743 OD1 ASN A 113 5.583 -10.974 5.263 1.00 0.00 O ATOM 1744 ND2 ASN A 113 4.370 -9.086 5.448 1.00 0.00 N ATOM 0 H ASN A 113 1.635 -9.448 3.977 1.00 0.00 H new ATOM 0 HA ASN A 113 3.773 -10.969 2.882 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.393 -10.668 5.529 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.277 -12.160 5.274 1.00 0.00 H new ATOM 0 HD21 ASN A 113 5.188 -8.509 5.646 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.443 -8.661 5.412 1.00 0.00 H new ATOM 1751 N ALA A 114 0.813 -12.346 3.338 1.00 0.00 N ATOM 1752 CA ALA A 114 -0.015 -13.503 3.045 1.00 0.00 C ATOM 1753 C ALA A 114 -0.124 -13.677 1.528 1.00 0.00 C ATOM 1754 O ALA A 114 -0.525 -14.736 1.048 1.00 0.00 O ATOM 1755 CB ALA A 114 -1.382 -13.336 3.711 1.00 0.00 C ATOM 0 H ALA A 114 0.310 -11.550 3.729 1.00 0.00 H new ATOM 0 HA ALA A 114 0.437 -14.409 3.450 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.003 -14.205 3.491 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.253 -13.247 4.790 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -1.866 -12.438 3.328 1.00 0.00 H new ATOM 1761 N ALA A 115 0.241 -12.620 0.816 1.00 0.00 N ATOM 1762 CA ALA A 115 0.190 -12.642 -0.635 1.00 0.00 C ATOM 1763 C ALA A 115 1.552 -13.071 -1.183 1.00 0.00 C ATOM 1764 O ALA A 115 1.631 -13.930 -2.061 1.00 0.00 O ATOM 1765 CB ALA A 115 -0.240 -11.268 -1.152 1.00 0.00 C ATOM 0 H ALA A 115 0.573 -11.743 1.218 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.547 -13.366 -0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.278 -11.285 -2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.226 -11.023 -0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 115 0.478 -10.515 -0.826 1.00 0.00 H new ATOM 1771 N ILE A 116 2.593 -12.453 -0.643 1.00 0.00 N ATOM 1772 CA ILE A 116 3.948 -12.761 -1.067 1.00 0.00 C ATOM 1773 C ILE A 116 4.177 -14.271 -0.974 1.00 0.00 C ATOM 1774 O ILE A 116 4.451 -14.923 -1.980 1.00 0.00 O ATOM 1775 CB ILE A 116 4.959 -11.935 -0.268 1.00 0.00 C ATOM 1776 CG1 ILE A 116 4.970 -10.479 -0.737 1.00 0.00 C ATOM 1777 CG2 ILE A 116 6.351 -12.567 -0.327 1.00 0.00 C ATOM 1778 CD1 ILE A 116 5.538 -9.559 0.346 1.00 0.00 C ATOM 0 H ILE A 116 2.525 -11.741 0.084 1.00 0.00 H new ATOM 0 HA ILE A 116 4.094 -12.480 -2.110 1.00 0.00 H new ATOM 0 HB ILE A 116 4.650 -11.934 0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.567 -10.390 -1.645 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.957 -10.167 -0.990 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.051 -11.961 0.249 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.312 -13.572 0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.683 -12.619 -1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 116 5.535 -8.530 -0.013 1.00 0.00 H new ATOM 0 HD12 ILE A 116 4.925 -9.632 1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.560 -9.859 0.579 1.00 0.00 H new ATOM 1790 N ALA A 117 4.056 -14.782 0.242 1.00 0.00 N ATOM 1791 CA ALA A 117 4.247 -16.202 0.479 1.00 0.00 C ATOM 1792 C ALA A 117 3.468 -16.999 -0.570 1.00 0.00 C ATOM 1793 O ALA A 117 4.059 -17.723 -1.370 1.00 0.00 O ATOM 1794 CB ALA A 117 3.818 -16.544 1.908 1.00 0.00 C ATOM 0 H ALA A 117 3.828 -14.238 1.074 1.00 0.00 H new ATOM 0 HA ALA A 117 5.299 -16.469 0.382 1.00 0.00 H new ATOM 0 HB1 ALA A 117 3.961 -17.610 2.086 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.421 -15.974 2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 117 2.766 -16.292 2.042 1.00 0.00 H new ATOM 1800 N SER A 118 2.153 -16.838 -0.532 1.00 0.00 N ATOM 1801 CA SER A 118 1.288 -17.533 -1.470 1.00 0.00 C ATOM 1802 C SER A 118 1.884 -17.471 -2.878 1.00 0.00 C ATOM 1803 O SER A 118 2.231 -18.500 -3.455 1.00 0.00 O ATOM 1804 CB SER A 118 -0.122 -16.938 -1.463 1.00 0.00 C ATOM 1805 OG SER A 118 -0.901 -17.399 -2.564 1.00 0.00 O ATOM 0 H SER A 118 1.666 -16.237 0.133 1.00 0.00 H new ATOM 0 HA SER A 118 1.215 -18.575 -1.160 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.622 -17.200 -0.530 1.00 0.00 H new ATOM 0 HB3 SER A 118 -0.057 -15.850 -1.495 1.00 0.00 H new ATOM 0 HG SER A 118 -1.794 -16.998 -2.523 1.00 0.00 H new ATOM 1811 N GLY A 119 1.984 -16.253 -3.389 1.00 0.00 N ATOM 1812 CA GLY A 119 2.532 -16.043 -4.719 1.00 0.00 C ATOM 1813 C GLY A 119 1.416 -15.884 -5.753 1.00 0.00 C ATOM 1814 O GLY A 119 0.310 -16.387 -5.561 1.00 0.00 O ATOM 0 H GLY A 119 1.695 -15.402 -2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 119 3.163 -15.154 -4.720 1.00 0.00 H new ATOM 0 HA3 GLY A 119 3.168 -16.885 -4.991 1.00 0.00 H new ATOM 1818 N PRO A 120 1.753 -15.164 -6.856 1.00 0.00 N ATOM 1819 CA PRO A 120 0.792 -14.933 -7.921 1.00 0.00 C ATOM 1820 C PRO A 120 0.592 -16.195 -8.763 1.00 0.00 C ATOM 1821 O PRO A 120 1.246 -16.369 -9.791 1.00 0.00 O ATOM 1822 CB PRO A 120 1.360 -13.770 -8.719 1.00 0.00 C ATOM 1823 CG PRO A 120 2.834 -13.697 -8.355 1.00 0.00 C ATOM 1824 CD PRO A 120 3.052 -14.553 -7.118 1.00 0.00 C ATOM 0 HA PRO A 120 -0.202 -14.692 -7.545 1.00 0.00 H new ATOM 0 HB2 PRO A 120 1.229 -13.930 -9.789 1.00 0.00 H new ATOM 0 HB3 PRO A 120 0.850 -12.839 -8.471 1.00 0.00 H new ATOM 0 HG2 PRO A 120 3.449 -14.055 -9.180 1.00 0.00 H new ATOM 0 HG3 PRO A 120 3.129 -12.666 -8.162 1.00 0.00 H new ATOM 0 HD2 PRO A 120 3.818 -15.309 -7.290 1.00 0.00 H new ATOM 0 HD3 PRO A 120 3.384 -13.950 -6.273 1.00 0.00 H new ATOM 1832 N SER A 121 -0.314 -17.042 -8.297 1.00 0.00 N ATOM 1833 CA SER A 121 -0.607 -18.282 -8.994 1.00 0.00 C ATOM 1834 C SER A 121 -2.068 -18.293 -9.450 1.00 0.00 C ATOM 1835 O SER A 121 -2.931 -17.714 -8.793 1.00 0.00 O ATOM 1836 CB SER A 121 -0.320 -19.495 -8.106 1.00 0.00 C ATOM 1837 OG SER A 121 1.033 -19.928 -8.216 1.00 0.00 O ATOM 0 H SER A 121 -0.855 -16.894 -7.445 1.00 0.00 H new ATOM 0 HA SER A 121 0.041 -18.344 -9.868 1.00 0.00 H new ATOM 0 HB2 SER A 121 -0.537 -19.244 -7.068 1.00 0.00 H new ATOM 0 HB3 SER A 121 -0.986 -20.312 -8.382 1.00 0.00 H new ATOM 0 HG SER A 121 1.177 -20.703 -7.633 1.00 0.00 H new ATOM 1843 N SER A 122 -2.299 -18.958 -10.573 1.00 0.00 N ATOM 1844 CA SER A 122 -3.640 -19.052 -11.124 1.00 0.00 C ATOM 1845 C SER A 122 -4.283 -20.378 -10.714 1.00 0.00 C ATOM 1846 O SER A 122 -4.091 -21.396 -11.376 1.00 0.00 O ATOM 1847 CB SER A 122 -3.619 -18.922 -12.649 1.00 0.00 C ATOM 1848 OG SER A 122 -2.804 -19.920 -13.258 1.00 0.00 O ATOM 0 H SER A 122 -1.580 -19.437 -11.116 1.00 0.00 H new ATOM 0 HA SER A 122 -4.232 -18.229 -10.724 1.00 0.00 H new ATOM 0 HB2 SER A 122 -4.636 -19.000 -13.034 1.00 0.00 H new ATOM 0 HB3 SER A 122 -3.249 -17.934 -12.924 1.00 0.00 H new ATOM 0 HG SER A 122 -2.973 -20.786 -12.831 1.00 0.00 H new ATOM 1854 N GLY A 123 -5.033 -20.322 -9.623 1.00 0.00 N ATOM 1855 CA GLY A 123 -5.706 -21.506 -9.116 1.00 0.00 C ATOM 1856 C GLY A 123 -7.074 -21.151 -8.531 1.00 0.00 C ATOM 1857 O GLY A 123 -7.804 -20.340 -9.099 1.00 0.00 O ATOM 0 H GLY A 123 -5.189 -19.475 -9.076 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -5.828 -22.232 -9.920 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.091 -21.979 -8.350 1.00 0.00 H new TER 1861 GLY A 123