USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 597 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 34 SER OG : rot -64:sc= 1.23 USER MOD Set 1.2: A 37 GLN : amide:sc= 0.158 K(o=1.4,f=-7.9!) USER MOD Set 2.1: A 23 GLN : amide:sc= -0.569 K(o=-0.7,f=0.049) USER MOD Set 2.2: A 55 GLN : amide:sc= -0.127 K(o=-0.7,f=0) USER MOD Set 3.1: A 8 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 11 GLN : amide:sc= -0.71 K(o=-0.71,f=-0.17) USER MOD Set 4.1: A 3 MET CE :methyl -117:sc= 0 (180deg=-0.00304) USER MOD Set 4.2: A 5 HIS : no HD1:sc= -1.33 X(o=-1.3,f=-0.96) USER MOD Single : A 1 GLY N :NH3+ -137:sc= 1.35 (180deg=0.957) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 10 GLN : amide:sc= -0.161! C(o=-0.16!,f=-4.2!) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0439 USER MOD Single : A 14 HIS : no HD1:sc= -1.85! X(o=-1.8!,f=-1.7) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 52:sc= 0.718 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.778 K(o=-0.78,f=-3.1!) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 40 GLN : amide:sc= -2.93! C(o=-2.9!,f=-1.7!) USER MOD Single : A 44 ASN : amide:sc= 1.22 K(o=1.2,f=-0.19) USER MOD Single : A 45 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0249) USER MOD Single : A 47 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000301) USER MOD Single : A 51 MET CE :methyl 139:sc= -0.0678 (180deg=-0.979) USER MOD Single : A 52 THR OG1 : rot 7:sc= 0.891 USER MOD Single : A 53 SER OG : rot 180:sc= -2.32! USER MOD Single : A 54 SER OG : rot 180:sc= 0.0428 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -135:sc= -0.355 (180deg=-2.61!) USER MOD Single : A 65 LYS NZ :NH3+ -166:sc= -0.0148 (180deg=-0.189) USER MOD Single : A 67 MET CE :methyl -166:sc= -0.539 (180deg=-0.849) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 164:sc= -0.596 (180deg=-1.61!) USER MOD Single : A 70 SER OG : rot 85:sc= 0.872 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.778 -5.222 -1.548 1.00 0.00 N ATOM 2 CA GLY A 1 17.770 -3.797 -1.211 1.00 0.00 C ATOM 3 C GLY A 1 16.633 -3.466 -0.273 1.00 0.00 C ATOM 4 O GLY A 1 15.964 -4.375 0.219 1.00 0.00 O ATOM 0 H1 GLY A 1 18.754 -5.581 -1.517 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.196 -5.744 -0.863 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.390 -5.355 -2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.718 -3.524 -0.748 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.678 -3.205 -2.122 1.00 0.00 H new ATOM 10 N HIS A 2 16.392 -2.183 -0.024 1.00 0.00 N ATOM 11 CA HIS A 2 15.353 -1.788 0.934 1.00 0.00 C ATOM 12 C HIS A 2 14.207 -0.995 0.290 1.00 0.00 C ATOM 13 O HIS A 2 13.260 -0.602 0.980 1.00 0.00 O ATOM 14 CB HIS A 2 15.949 -0.989 2.123 1.00 0.00 C ATOM 15 CG HIS A 2 16.455 0.399 1.796 1.00 0.00 C ATOM 16 ND1 HIS A 2 15.739 1.552 2.046 1.00 0.00 N ATOM 17 CD2 HIS A 2 17.628 0.804 1.256 1.00 0.00 C ATOM 18 CE1 HIS A 2 16.472 2.590 1.662 1.00 0.00 C ATOM 19 NE2 HIS A 2 17.636 2.197 1.172 1.00 0.00 N ATOM 0 H HIS A 2 16.890 -1.407 -0.461 1.00 0.00 H new ATOM 0 HA HIS A 2 14.930 -2.720 1.308 1.00 0.00 H new ATOM 0 HB2 HIS A 2 15.187 -0.904 2.898 1.00 0.00 H new ATOM 0 HB3 HIS A 2 16.772 -1.565 2.547 1.00 0.00 H new ATOM 0 HD2 HIS A 2 18.430 0.153 0.940 1.00 0.00 H new ATOM 0 HE1 HIS A 2 16.159 3.621 1.740 1.00 0.00 H new ATOM 0 HE2 HIS A 2 18.383 2.788 0.809 1.00 0.00 H new ATOM 27 N MET A 3 14.283 -0.759 -1.008 1.00 0.00 N ATOM 28 CA MET A 3 13.246 0.004 -1.685 1.00 0.00 C ATOM 29 C MET A 3 12.003 -0.859 -1.908 1.00 0.00 C ATOM 30 O MET A 3 12.070 -2.074 -1.785 1.00 0.00 O ATOM 31 CB MET A 3 13.759 0.665 -2.975 1.00 0.00 C ATOM 32 CG MET A 3 14.795 1.771 -2.733 1.00 0.00 C ATOM 33 SD MET A 3 15.373 2.598 -4.247 1.00 0.00 S ATOM 34 CE MET A 3 16.417 1.336 -4.983 1.00 0.00 C ATOM 0 H MET A 3 15.042 -1.080 -1.610 1.00 0.00 H new ATOM 0 HA MET A 3 12.953 0.829 -1.035 1.00 0.00 H new ATOM 0 HB2 MET A 3 14.200 -0.100 -3.614 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.913 1.085 -3.519 1.00 0.00 H new ATOM 0 HG2 MET A 3 14.363 2.518 -2.067 1.00 0.00 H new ATOM 0 HG3 MET A 3 15.654 1.342 -2.217 1.00 0.00 H new ATOM 0 HE1 MET A 3 17.444 1.697 -5.032 1.00 0.00 H new ATOM 0 HE2 MET A 3 16.379 0.432 -4.375 1.00 0.00 H new ATOM 0 HE3 MET A 3 16.063 1.112 -5.989 1.00 0.00 H new ATOM 44 N VAL A 4 10.889 -0.241 -2.286 1.00 0.00 N ATOM 45 CA VAL A 4 9.578 -0.925 -2.268 1.00 0.00 C ATOM 46 C VAL A 4 9.484 -2.094 -3.227 1.00 0.00 C ATOM 47 O VAL A 4 8.802 -3.061 -2.956 1.00 0.00 O ATOM 48 CB VAL A 4 8.388 0.041 -2.482 1.00 0.00 C ATOM 49 CG1 VAL A 4 8.551 1.247 -1.623 1.00 0.00 C ATOM 50 CG2 VAL A 4 8.215 0.438 -3.920 1.00 0.00 C ATOM 0 H VAL A 4 10.855 0.726 -2.608 1.00 0.00 H new ATOM 0 HA VAL A 4 9.506 -1.331 -1.259 1.00 0.00 H new ATOM 0 HB VAL A 4 7.482 -0.493 -2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.709 1.922 -1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.585 0.946 -0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.478 1.757 -1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.366 1.116 -4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.118 0.938 -4.271 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.035 -0.451 -4.524 1.00 0.00 H new ATOM 60 N HIS A 5 10.208 -2.023 -4.313 1.00 0.00 N ATOM 61 CA HIS A 5 10.214 -3.088 -5.308 1.00 0.00 C ATOM 62 C HIS A 5 10.942 -4.347 -4.777 1.00 0.00 C ATOM 63 O HIS A 5 10.936 -5.404 -5.413 1.00 0.00 O ATOM 64 CB HIS A 5 10.836 -2.590 -6.624 1.00 0.00 C ATOM 65 CG HIS A 5 12.152 -1.913 -6.448 1.00 0.00 C ATOM 66 ND1 HIS A 5 12.280 -0.559 -6.341 1.00 0.00 N ATOM 67 CD2 HIS A 5 13.390 -2.421 -6.296 1.00 0.00 C ATOM 68 CE1 HIS A 5 13.542 -0.277 -6.121 1.00 0.00 C ATOM 69 NE2 HIS A 5 14.280 -1.377 -6.085 1.00 0.00 N ATOM 0 H HIS A 5 10.811 -1.233 -4.542 1.00 0.00 H new ATOM 0 HA HIS A 5 9.182 -3.374 -5.510 1.00 0.00 H new ATOM 0 HB2 HIS A 5 10.961 -3.436 -7.299 1.00 0.00 H new ATOM 0 HB3 HIS A 5 10.143 -1.899 -7.104 1.00 0.00 H new ATOM 0 HD2 HIS A 5 13.648 -3.469 -6.332 1.00 0.00 H new ATOM 0 HE1 HIS A 5 13.929 0.722 -5.987 1.00 0.00 H new ATOM 0 HE2 HIS A 5 15.287 -1.442 -5.934 1.00 0.00 H new ATOM 77 N GLU A 6 11.578 -4.204 -3.618 1.00 0.00 N ATOM 78 CA GLU A 6 12.266 -5.289 -2.938 1.00 0.00 C ATOM 79 C GLU A 6 11.388 -5.842 -1.829 1.00 0.00 C ATOM 80 O GLU A 6 11.718 -6.850 -1.202 1.00 0.00 O ATOM 81 CB GLU A 6 13.553 -4.776 -2.311 1.00 0.00 C ATOM 82 CG GLU A 6 14.563 -4.231 -3.304 1.00 0.00 C ATOM 83 CD GLU A 6 15.183 -5.321 -4.130 1.00 0.00 C ATOM 84 OE1 GLU A 6 16.207 -5.875 -3.693 1.00 0.00 O ATOM 85 OE2 GLU A 6 14.668 -5.651 -5.216 1.00 0.00 O ATOM 0 H GLU A 6 11.629 -3.316 -3.120 1.00 0.00 H new ATOM 0 HA GLU A 6 12.488 -6.068 -3.668 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.306 -3.992 -1.595 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.016 -5.586 -1.748 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.074 -3.512 -3.961 1.00 0.00 H new ATOM 0 HG3 GLU A 6 15.345 -3.693 -2.768 1.00 0.00 H new ATOM 92 N TRP A 7 10.286 -5.171 -1.573 1.00 0.00 N ATOM 93 CA TRP A 7 9.387 -5.578 -0.521 1.00 0.00 C ATOM 94 C TRP A 7 8.630 -6.782 -0.963 1.00 0.00 C ATOM 95 O TRP A 7 8.130 -6.817 -2.064 1.00 0.00 O ATOM 96 CB TRP A 7 8.430 -4.450 -0.121 1.00 0.00 C ATOM 97 CG TRP A 7 9.115 -3.250 0.476 1.00 0.00 C ATOM 98 CD1 TRP A 7 10.437 -3.128 0.801 1.00 0.00 C ATOM 99 CD2 TRP A 7 8.503 -2.019 0.845 1.00 0.00 C ATOM 100 NE1 TRP A 7 10.686 -1.886 1.298 1.00 0.00 N ATOM 101 CE2 TRP A 7 9.517 -1.187 1.347 1.00 0.00 C ATOM 102 CE3 TRP A 7 7.198 -1.532 0.788 1.00 0.00 C ATOM 103 CZ2 TRP A 7 9.274 0.098 1.786 1.00 0.00 C ATOM 104 CZ3 TRP A 7 6.952 -0.250 1.226 1.00 0.00 C ATOM 105 CH2 TRP A 7 7.991 0.556 1.721 1.00 0.00 C ATOM 0 H TRP A 7 9.992 -4.338 -2.083 1.00 0.00 H new ATOM 0 HA TRP A 7 9.976 -5.821 0.363 1.00 0.00 H new ATOM 0 HB2 TRP A 7 7.868 -4.135 -1.000 1.00 0.00 H new ATOM 0 HB3 TRP A 7 7.707 -4.838 0.597 1.00 0.00 H new ATOM 0 HD1 TRP A 7 11.177 -3.905 0.681 1.00 0.00 H new ATOM 0 HE1 TRP A 7 11.599 -1.535 1.587 1.00 0.00 H new ATOM 0 HE3 TRP A 7 6.396 -2.148 0.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 10.071 0.719 2.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 5.946 0.142 1.189 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.769 1.558 2.057 1.00 0.00 H new ATOM 116 N SER A 8 8.562 -7.762 -0.111 1.00 0.00 N ATOM 117 CA SER A 8 7.939 -9.002 -0.447 1.00 0.00 C ATOM 118 C SER A 8 6.463 -8.969 -0.065 1.00 0.00 C ATOM 119 O SER A 8 5.600 -8.811 -0.900 1.00 0.00 O ATOM 120 CB SER A 8 8.677 -10.105 0.296 1.00 0.00 C ATOM 121 OG SER A 8 10.076 -9.878 0.225 1.00 0.00 O ATOM 0 H SER A 8 8.938 -7.721 0.836 1.00 0.00 H new ATOM 0 HA SER A 8 7.990 -9.184 -1.521 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.356 -10.133 1.337 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.434 -11.075 -0.138 1.00 0.00 H new ATOM 0 HG SER A 8 10.548 -10.590 0.706 1.00 0.00 H new ATOM 127 N VAL A 9 6.197 -9.091 1.213 1.00 0.00 N ATOM 128 CA VAL A 9 4.849 -9.060 1.730 1.00 0.00 C ATOM 129 C VAL A 9 4.881 -8.287 3.024 1.00 0.00 C ATOM 130 O VAL A 9 4.391 -7.195 3.108 1.00 0.00 O ATOM 131 CB VAL A 9 4.295 -10.498 2.007 1.00 0.00 C ATOM 132 CG1 VAL A 9 2.901 -10.432 2.578 1.00 0.00 C ATOM 133 CG2 VAL A 9 4.285 -11.339 0.747 1.00 0.00 C ATOM 0 H VAL A 9 6.913 -9.215 1.928 1.00 0.00 H new ATOM 0 HA VAL A 9 4.195 -8.595 0.993 1.00 0.00 H new ATOM 0 HB VAL A 9 4.960 -10.967 2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.535 -11.442 2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.918 -9.875 3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.241 -9.931 1.870 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.895 -12.331 0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.653 -10.864 -0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.300 -11.428 0.361 1.00 0.00 H new ATOM 143 N GLN A 10 5.595 -8.830 3.990 1.00 0.00 N ATOM 144 CA GLN A 10 5.703 -8.257 5.336 1.00 0.00 C ATOM 145 C GLN A 10 6.360 -6.874 5.346 1.00 0.00 C ATOM 146 O GLN A 10 6.205 -6.110 6.293 1.00 0.00 O ATOM 147 CB GLN A 10 6.430 -9.224 6.304 1.00 0.00 C ATOM 148 CG GLN A 10 7.906 -9.555 6.000 1.00 0.00 C ATOM 149 CD GLN A 10 8.138 -10.287 4.682 1.00 0.00 C ATOM 150 OE1 GLN A 10 7.277 -11.019 4.187 1.00 0.00 O ATOM 151 NE2 GLN A 10 9.287 -10.110 4.117 1.00 0.00 N ATOM 0 H GLN A 10 6.127 -9.692 3.871 1.00 0.00 H new ATOM 0 HA GLN A 10 4.682 -8.119 5.691 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.380 -8.799 7.306 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.872 -10.160 6.327 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.477 -8.627 5.990 1.00 0.00 H new ATOM 0 HG3 GLN A 10 8.302 -10.164 6.813 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.979 -9.499 4.550 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.501 -10.582 3.238 1.00 0.00 H new ATOM 160 N GLN A 11 7.067 -6.558 4.276 1.00 0.00 N ATOM 161 CA GLN A 11 7.736 -5.282 4.146 1.00 0.00 C ATOM 162 C GLN A 11 6.764 -4.193 3.667 1.00 0.00 C ATOM 163 O GLN A 11 6.987 -3.013 3.899 1.00 0.00 O ATOM 164 CB GLN A 11 8.942 -5.384 3.207 1.00 0.00 C ATOM 165 CG GLN A 11 10.077 -6.269 3.701 1.00 0.00 C ATOM 166 CD GLN A 11 11.322 -6.180 2.817 1.00 0.00 C ATOM 167 OE1 GLN A 11 12.173 -5.327 3.029 1.00 0.00 O ATOM 168 NE2 GLN A 11 11.464 -7.066 1.853 1.00 0.00 N ATOM 0 H GLN A 11 7.192 -7.179 3.476 1.00 0.00 H new ATOM 0 HA GLN A 11 8.100 -4.998 5.133 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.601 -5.763 2.244 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.333 -4.381 3.035 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.338 -5.983 4.720 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.736 -7.304 3.738 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.741 -7.768 1.695 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.297 -7.050 1.264 1.00 0.00 H new ATOM 177 N VAL A 12 5.657 -4.603 3.048 1.00 0.00 N ATOM 178 CA VAL A 12 4.679 -3.647 2.513 1.00 0.00 C ATOM 179 C VAL A 12 3.852 -3.077 3.687 1.00 0.00 C ATOM 180 O VAL A 12 3.355 -1.942 3.653 1.00 0.00 O ATOM 181 CB VAL A 12 3.723 -4.344 1.465 1.00 0.00 C ATOM 182 CG1 VAL A 12 2.520 -5.036 2.096 1.00 0.00 C ATOM 183 CG2 VAL A 12 3.294 -3.388 0.383 1.00 0.00 C ATOM 0 H VAL A 12 5.413 -5.583 2.904 1.00 0.00 H new ATOM 0 HA VAL A 12 5.206 -2.843 2.000 1.00 0.00 H new ATOM 0 HB VAL A 12 4.319 -5.134 1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.911 -5.491 1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.864 -5.808 2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.924 -4.304 2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.638 -3.903 -0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.761 -2.549 0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.173 -3.019 -0.146 1.00 0.00 H new ATOM 193 N SER A 13 3.766 -3.878 4.737 1.00 0.00 N ATOM 194 CA SER A 13 2.998 -3.593 5.912 1.00 0.00 C ATOM 195 C SER A 13 3.543 -2.401 6.684 1.00 0.00 C ATOM 196 O SER A 13 2.767 -1.626 7.250 1.00 0.00 O ATOM 197 CB SER A 13 3.026 -4.818 6.773 1.00 0.00 C ATOM 198 OG SER A 13 2.879 -5.975 5.965 1.00 0.00 O ATOM 0 H SER A 13 4.251 -4.774 4.784 1.00 0.00 H new ATOM 0 HA SER A 13 1.981 -3.333 5.620 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.965 -4.865 7.325 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.225 -4.774 7.511 1.00 0.00 H new ATOM 0 HG SER A 13 2.900 -6.774 6.532 1.00 0.00 H new ATOM 204 N HIS A 14 4.873 -2.231 6.658 1.00 0.00 N ATOM 205 CA HIS A 14 5.544 -1.144 7.396 1.00 0.00 C ATOM 206 C HIS A 14 5.009 0.186 6.910 1.00 0.00 C ATOM 207 O HIS A 14 4.796 1.129 7.692 1.00 0.00 O ATOM 208 CB HIS A 14 7.070 -1.173 7.182 1.00 0.00 C ATOM 209 CG HIS A 14 7.744 -2.483 7.469 1.00 0.00 C ATOM 210 ND1 HIS A 14 7.550 -3.228 8.606 1.00 0.00 N ATOM 211 CD2 HIS A 14 8.608 -3.190 6.709 1.00 0.00 C ATOM 212 CE1 HIS A 14 8.279 -4.335 8.503 1.00 0.00 C ATOM 213 NE2 HIS A 14 8.945 -4.363 7.365 1.00 0.00 N ATOM 0 H HIS A 14 5.509 -2.832 6.134 1.00 0.00 H new ATOM 0 HA HIS A 14 5.343 -1.280 8.459 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.278 -0.897 6.148 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.521 -0.408 7.813 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.979 -2.888 5.741 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.320 -5.110 9.254 1.00 0.00 H new ATOM 0 HE2 HIS A 14 9.576 -5.094 7.037 1.00 0.00 H new ATOM 221 N TRP A 15 4.769 0.235 5.618 1.00 0.00 N ATOM 222 CA TRP A 15 4.204 1.376 4.981 1.00 0.00 C ATOM 223 C TRP A 15 2.766 1.564 5.433 1.00 0.00 C ATOM 224 O TRP A 15 2.449 2.580 6.029 1.00 0.00 O ATOM 225 CB TRP A 15 4.325 1.228 3.459 1.00 0.00 C ATOM 226 CG TRP A 15 3.519 2.204 2.667 1.00 0.00 C ATOM 227 CD1 TRP A 15 3.737 3.538 2.525 1.00 0.00 C ATOM 228 CD2 TRP A 15 2.362 1.898 1.893 1.00 0.00 C ATOM 229 NE1 TRP A 15 2.769 4.080 1.712 1.00 0.00 N ATOM 230 CE2 TRP A 15 1.919 3.090 1.310 1.00 0.00 C ATOM 231 CE3 TRP A 15 1.658 0.725 1.637 1.00 0.00 C ATOM 232 CZ2 TRP A 15 0.798 3.142 0.490 1.00 0.00 C ATOM 233 CZ3 TRP A 15 0.553 0.785 0.824 1.00 0.00 C ATOM 234 CH2 TRP A 15 0.139 1.978 0.266 1.00 0.00 C ATOM 0 H TRP A 15 4.969 -0.536 4.981 1.00 0.00 H new ATOM 0 HA TRP A 15 4.750 2.274 5.268 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.373 1.334 3.180 1.00 0.00 H new ATOM 0 HB3 TRP A 15 4.022 0.218 3.181 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.547 4.088 2.981 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.698 5.064 1.451 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.974 -0.213 2.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.466 4.070 0.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.003 -0.118 0.617 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.736 1.985 -0.368 1.00 0.00 H new ATOM 245 N LEU A 16 1.922 0.548 5.200 1.00 0.00 N ATOM 246 CA LEU A 16 0.473 0.565 5.552 1.00 0.00 C ATOM 247 C LEU A 16 0.240 1.041 6.977 1.00 0.00 C ATOM 248 O LEU A 16 -0.540 1.954 7.217 1.00 0.00 O ATOM 249 CB LEU A 16 -0.106 -0.840 5.377 1.00 0.00 C ATOM 250 CG LEU A 16 -0.186 -1.352 3.935 1.00 0.00 C ATOM 251 CD1 LEU A 16 -0.347 -2.842 3.910 1.00 0.00 C ATOM 252 CD2 LEU A 16 -1.364 -0.727 3.216 1.00 0.00 C ATOM 0 H LEU A 16 2.218 -0.322 4.758 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.027 1.267 4.885 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.499 -1.537 5.957 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.109 -0.856 5.805 1.00 0.00 H new ATOM 0 HG LEU A 16 0.742 -1.076 3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.402 -3.185 2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.506 -3.308 4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.263 -3.118 4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.406 -1.101 2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.287 -0.986 3.736 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.248 0.357 3.201 1.00 0.00 H new ATOM 264 N VAL A 17 0.951 0.470 7.901 1.00 0.00 N ATOM 265 CA VAL A 17 0.811 0.805 9.306 1.00 0.00 C ATOM 266 C VAL A 17 1.293 2.260 9.590 1.00 0.00 C ATOM 267 O VAL A 17 0.879 2.882 10.570 1.00 0.00 O ATOM 268 CB VAL A 17 1.589 -0.217 10.175 1.00 0.00 C ATOM 269 CG1 VAL A 17 1.521 0.102 11.661 1.00 0.00 C ATOM 270 CG2 VAL A 17 1.095 -1.635 9.920 1.00 0.00 C ATOM 0 H VAL A 17 1.652 -0.247 7.712 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.246 0.754 9.569 1.00 0.00 H new ATOM 0 HB VAL A 17 2.635 -0.142 9.876 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.083 -0.646 12.220 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.950 1.088 11.842 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.481 0.094 11.988 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.656 -2.333 10.541 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.035 -1.701 10.167 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.239 -1.887 8.869 1.00 0.00 H new ATOM 280 N GLY A 18 2.066 2.817 8.675 1.00 0.00 N ATOM 281 CA GLY A 18 2.626 4.128 8.862 1.00 0.00 C ATOM 282 C GLY A 18 1.682 5.199 8.399 1.00 0.00 C ATOM 283 O GLY A 18 1.625 6.279 8.978 1.00 0.00 O ATOM 0 H GLY A 18 2.317 2.372 7.792 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.860 4.278 9.916 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.564 4.206 8.313 1.00 0.00 H new ATOM 287 N LEU A 19 0.906 4.908 7.365 1.00 0.00 N ATOM 288 CA LEU A 19 -0.051 5.901 6.883 1.00 0.00 C ATOM 289 C LEU A 19 -1.429 5.679 7.492 1.00 0.00 C ATOM 290 O LEU A 19 -2.396 6.294 7.061 1.00 0.00 O ATOM 291 CB LEU A 19 -0.165 6.004 5.324 1.00 0.00 C ATOM 292 CG LEU A 19 -0.658 4.797 4.541 1.00 0.00 C ATOM 293 CD1 LEU A 19 -1.167 5.219 3.206 1.00 0.00 C ATOM 294 CD2 LEU A 19 0.412 3.816 4.319 1.00 0.00 C ATOM 0 H LEU A 19 0.915 4.024 6.856 1.00 0.00 H new ATOM 0 HA LEU A 19 0.355 6.856 7.217 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.829 6.838 5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.820 6.267 4.938 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.451 4.341 5.134 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.516 4.345 2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.992 5.920 3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.366 5.702 2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.018 2.969 3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.221 4.281 3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.792 3.468 5.280 1.00 0.00 H new ATOM 306 N SER A 20 -1.500 4.822 8.523 1.00 0.00 N ATOM 307 CA SER A 20 -2.766 4.475 9.189 1.00 0.00 C ATOM 308 C SER A 20 -3.675 3.712 8.232 1.00 0.00 C ATOM 309 O SER A 20 -4.890 3.898 8.191 1.00 0.00 O ATOM 310 CB SER A 20 -3.439 5.734 9.752 1.00 0.00 C ATOM 311 OG SER A 20 -2.568 6.399 10.685 1.00 0.00 O ATOM 0 H SER A 20 -0.685 4.352 8.917 1.00 0.00 H new ATOM 0 HA SER A 20 -2.559 3.817 10.033 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.694 6.412 8.937 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.372 5.464 10.246 1.00 0.00 H new ATOM 0 HG SER A 20 -3.012 7.200 11.033 1.00 0.00 H new ATOM 317 N LEU A 21 -3.045 2.830 7.486 1.00 0.00 N ATOM 318 CA LEU A 21 -3.675 1.949 6.530 1.00 0.00 C ATOM 319 C LEU A 21 -3.411 0.503 6.926 1.00 0.00 C ATOM 320 O LEU A 21 -3.517 -0.397 6.097 1.00 0.00 O ATOM 321 CB LEU A 21 -3.107 2.208 5.126 1.00 0.00 C ATOM 322 CG LEU A 21 -3.836 3.195 4.183 1.00 0.00 C ATOM 323 CD1 LEU A 21 -4.998 2.522 3.522 1.00 0.00 C ATOM 324 CD2 LEU A 21 -4.319 4.447 4.900 1.00 0.00 C ATOM 0 H LEU A 21 -2.034 2.703 7.533 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.749 2.137 6.521 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.085 2.566 5.247 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.050 1.248 4.614 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.107 3.505 3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.501 3.229 2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.643 1.672 2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.698 2.175 4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.822 5.102 4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.014 4.168 5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.466 4.970 5.334 1.00 0.00 H new ATOM 336 N ASP A 22 -3.057 0.272 8.210 1.00 0.00 N ATOM 337 CA ASP A 22 -2.893 -1.097 8.763 1.00 0.00 C ATOM 338 C ASP A 22 -4.160 -1.957 8.572 1.00 0.00 C ATOM 339 O ASP A 22 -4.141 -3.171 8.732 1.00 0.00 O ATOM 340 CB ASP A 22 -2.533 -1.080 10.252 1.00 0.00 C ATOM 341 CG ASP A 22 -3.621 -0.556 11.155 1.00 0.00 C ATOM 342 OD1 ASP A 22 -3.685 0.671 11.395 1.00 0.00 O ATOM 343 OD2 ASP A 22 -4.402 -1.360 11.685 1.00 0.00 O ATOM 0 H ASP A 22 -2.879 1.015 8.886 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.071 -1.540 8.201 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.278 -2.093 10.562 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.640 -0.470 10.389 1.00 0.00 H new ATOM 348 N GLN A 23 -5.234 -1.311 8.255 1.00 0.00 N ATOM 349 CA GLN A 23 -6.488 -1.943 7.931 1.00 0.00 C ATOM 350 C GLN A 23 -6.359 -2.754 6.615 1.00 0.00 C ATOM 351 O GLN A 23 -7.055 -3.737 6.400 1.00 0.00 O ATOM 352 CB GLN A 23 -7.550 -0.842 7.801 1.00 0.00 C ATOM 353 CG GLN A 23 -7.246 0.153 6.669 1.00 0.00 C ATOM 354 CD GLN A 23 -7.906 1.502 6.842 1.00 0.00 C ATOM 355 OE1 GLN A 23 -9.022 1.723 6.411 1.00 0.00 O ATOM 356 NE2 GLN A 23 -7.183 2.428 7.427 1.00 0.00 N ATOM 0 H GLN A 23 -5.272 -0.293 8.211 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.777 -2.643 8.715 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.522 -1.301 7.622 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.622 -0.300 8.744 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.167 0.294 6.603 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.570 -0.280 5.722 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.251 2.203 7.775 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.553 3.373 7.533 1.00 0.00 H new ATOM 365 N TYR A 24 -5.427 -2.343 5.764 1.00 0.00 N ATOM 366 CA TYR A 24 -5.232 -2.971 4.480 1.00 0.00 C ATOM 367 C TYR A 24 -4.254 -4.110 4.512 1.00 0.00 C ATOM 368 O TYR A 24 -4.340 -5.011 3.681 1.00 0.00 O ATOM 369 CB TYR A 24 -4.864 -1.963 3.400 1.00 0.00 C ATOM 370 CG TYR A 24 -6.055 -1.470 2.625 1.00 0.00 C ATOM 371 CD1 TYR A 24 -6.805 -0.403 3.056 1.00 0.00 C ATOM 372 CD2 TYR A 24 -6.433 -2.106 1.461 1.00 0.00 C ATOM 373 CE1 TYR A 24 -7.913 0.024 2.337 1.00 0.00 C ATOM 374 CE2 TYR A 24 -7.532 -1.695 0.739 1.00 0.00 C ATOM 375 CZ TYR A 24 -8.268 -0.635 1.173 1.00 0.00 C ATOM 376 OH TYR A 24 -9.388 -0.241 0.454 1.00 0.00 O ATOM 0 H TYR A 24 -4.792 -1.567 5.951 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.199 -3.403 4.222 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.360 -1.113 3.861 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.153 -2.420 2.711 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.529 0.110 3.965 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.854 -2.946 1.107 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.494 0.865 2.684 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.809 -2.212 -0.168 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.342 0.722 0.279 1.00 0.00 H new ATOM 386 N VAL A 25 -3.334 -4.106 5.471 1.00 0.00 N ATOM 387 CA VAL A 25 -2.363 -5.202 5.577 1.00 0.00 C ATOM 388 C VAL A 25 -3.019 -6.568 5.786 1.00 0.00 C ATOM 389 O VAL A 25 -2.514 -7.583 5.305 1.00 0.00 O ATOM 390 CB VAL A 25 -1.125 -4.919 6.522 1.00 0.00 C ATOM 391 CG1 VAL A 25 -1.508 -4.244 7.791 1.00 0.00 C ATOM 392 CG2 VAL A 25 -0.320 -6.175 6.809 1.00 0.00 C ATOM 0 H VAL A 25 -3.236 -3.375 6.175 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.903 -5.250 4.590 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.489 -4.230 5.966 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.618 -4.076 8.397 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.979 -3.287 7.566 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.208 -4.873 8.341 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.518 -5.929 7.461 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.957 -6.911 7.299 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.057 -6.587 5.873 1.00 0.00 H new ATOM 402 N SER A 26 -4.206 -6.564 6.371 1.00 0.00 N ATOM 403 CA SER A 26 -4.973 -7.778 6.579 1.00 0.00 C ATOM 404 C SER A 26 -5.286 -8.507 5.233 1.00 0.00 C ATOM 405 O SER A 26 -5.404 -9.730 5.195 1.00 0.00 O ATOM 406 CB SER A 26 -6.250 -7.420 7.324 1.00 0.00 C ATOM 407 OG SER A 26 -5.929 -6.679 8.506 1.00 0.00 O ATOM 0 H SER A 26 -4.663 -5.719 6.714 1.00 0.00 H new ATOM 0 HA SER A 26 -4.383 -8.476 7.173 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.904 -6.831 6.681 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.794 -8.327 7.588 1.00 0.00 H new ATOM 0 HG SER A 26 -6.754 -6.449 8.982 1.00 0.00 H new ATOM 413 N GLU A 27 -5.365 -7.750 4.140 1.00 0.00 N ATOM 414 CA GLU A 27 -5.636 -8.330 2.839 1.00 0.00 C ATOM 415 C GLU A 27 -4.392 -8.207 1.930 1.00 0.00 C ATOM 416 O GLU A 27 -4.129 -9.088 1.125 1.00 0.00 O ATOM 417 CB GLU A 27 -6.851 -7.662 2.206 1.00 0.00 C ATOM 418 CG GLU A 27 -7.339 -8.289 0.898 1.00 0.00 C ATOM 419 CD GLU A 27 -7.929 -9.673 1.042 1.00 0.00 C ATOM 420 OE1 GLU A 27 -8.938 -9.831 1.761 1.00 0.00 O ATOM 421 OE2 GLU A 27 -7.430 -10.613 0.402 1.00 0.00 O ATOM 0 H GLU A 27 -5.245 -6.737 4.136 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.861 -9.390 2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.670 -7.680 2.925 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.613 -6.615 2.020 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.089 -7.634 0.454 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.503 -8.336 0.200 1.00 0.00 H new ATOM 428 N PHE A 28 -3.608 -7.119 2.087 1.00 0.00 N ATOM 429 CA PHE A 28 -2.343 -6.937 1.338 1.00 0.00 C ATOM 430 C PHE A 28 -1.431 -8.140 1.536 1.00 0.00 C ATOM 431 O PHE A 28 -0.842 -8.655 0.582 1.00 0.00 O ATOM 432 CB PHE A 28 -1.599 -5.673 1.798 1.00 0.00 C ATOM 433 CG PHE A 28 -1.843 -4.409 1.006 1.00 0.00 C ATOM 434 CD1 PHE A 28 -3.113 -3.913 0.806 1.00 0.00 C ATOM 435 CD2 PHE A 28 -0.768 -3.700 0.487 1.00 0.00 C ATOM 436 CE1 PHE A 28 -3.307 -2.738 0.095 1.00 0.00 C ATOM 437 CE2 PHE A 28 -0.960 -2.535 -0.219 1.00 0.00 C ATOM 438 CZ PHE A 28 -2.230 -2.054 -0.415 1.00 0.00 C ATOM 0 H PHE A 28 -3.827 -6.354 2.724 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.601 -6.835 0.284 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.868 -5.480 2.836 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.530 -5.883 1.780 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.964 -4.444 1.206 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.235 -4.069 0.640 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.307 -2.360 -0.058 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.112 -1.999 -0.619 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.383 -1.140 -0.969 1.00 0.00 H new ATOM 448 N SER A 29 -1.388 -8.632 2.770 1.00 0.00 N ATOM 449 CA SER A 29 -0.545 -9.749 3.120 1.00 0.00 C ATOM 450 C SER A 29 -1.111 -11.049 2.527 1.00 0.00 C ATOM 451 O SER A 29 -0.379 -12.000 2.275 1.00 0.00 O ATOM 452 CB SER A 29 -0.408 -9.846 4.659 1.00 0.00 C ATOM 453 OG SER A 29 0.578 -10.791 5.054 1.00 0.00 O ATOM 0 H SER A 29 -1.937 -8.263 3.546 1.00 0.00 H new ATOM 0 HA SER A 29 0.449 -9.595 2.700 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.151 -8.866 5.061 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.369 -10.125 5.090 1.00 0.00 H new ATOM 0 HG SER A 29 0.632 -10.818 6.032 1.00 0.00 H new ATOM 459 N ALA A 30 -2.405 -11.054 2.245 1.00 0.00 N ATOM 460 CA ALA A 30 -3.066 -12.230 1.728 1.00 0.00 C ATOM 461 C ALA A 30 -2.814 -12.373 0.235 1.00 0.00 C ATOM 462 O ALA A 30 -2.604 -13.477 -0.266 1.00 0.00 O ATOM 463 CB ALA A 30 -4.559 -12.181 2.030 1.00 0.00 C ATOM 0 H ALA A 30 -3.017 -10.248 2.369 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.650 -13.107 2.224 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.040 -13.075 1.633 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.711 -12.136 3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.995 -11.297 1.565 1.00 0.00 H new ATOM 469 N GLN A 31 -2.788 -11.259 -0.474 1.00 0.00 N ATOM 470 CA GLN A 31 -2.583 -11.322 -1.927 1.00 0.00 C ATOM 471 C GLN A 31 -1.115 -11.135 -2.287 1.00 0.00 C ATOM 472 O GLN A 31 -0.778 -11.066 -3.469 1.00 0.00 O ATOM 473 CB GLN A 31 -3.430 -10.291 -2.702 1.00 0.00 C ATOM 474 CG GLN A 31 -4.570 -9.658 -1.927 1.00 0.00 C ATOM 475 CD GLN A 31 -5.533 -8.876 -2.815 1.00 0.00 C ATOM 476 OE1 GLN A 31 -5.146 -8.325 -3.852 1.00 0.00 O ATOM 477 NE2 GLN A 31 -6.784 -8.825 -2.429 1.00 0.00 N ATOM 0 H GLN A 31 -2.902 -10.321 -0.091 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.912 -12.317 -2.226 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.770 -9.498 -3.054 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.843 -10.778 -3.586 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.121 -10.437 -1.401 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.160 -8.991 -1.169 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.071 -9.290 -1.568 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.470 -8.320 -2.989 1.00 0.00 H new ATOM 486 N ASN A 32 -0.244 -11.048 -1.258 1.00 0.00 N ATOM 487 CA ASN A 32 1.204 -10.882 -1.443 1.00 0.00 C ATOM 488 C ASN A 32 1.476 -9.589 -2.175 1.00 0.00 C ATOM 489 O ASN A 32 2.369 -9.514 -3.029 1.00 0.00 O ATOM 490 CB ASN A 32 1.831 -12.080 -2.199 1.00 0.00 C ATOM 491 CG ASN A 32 1.614 -13.414 -1.501 1.00 0.00 C ATOM 492 OD1 ASN A 32 2.404 -13.830 -0.645 1.00 0.00 O ATOM 493 ND2 ASN A 32 0.573 -14.112 -1.888 1.00 0.00 N ATOM 0 H ASN A 32 -0.530 -11.091 -0.280 1.00 0.00 H new ATOM 0 HA ASN A 32 1.670 -10.847 -0.458 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.407 -12.130 -3.202 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.901 -11.908 -2.314 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.394 -15.030 -1.480 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.058 -13.737 -2.597 1.00 0.00 H new ATOM 500 N ILE A 33 0.706 -8.565 -1.824 1.00 0.00 N ATOM 501 CA ILE A 33 0.839 -7.271 -2.437 1.00 0.00 C ATOM 502 C ILE A 33 2.188 -6.689 -2.057 1.00 0.00 C ATOM 503 O ILE A 33 2.427 -6.373 -0.902 1.00 0.00 O ATOM 504 CB ILE A 33 -0.293 -6.289 -1.998 1.00 0.00 C ATOM 505 CG1 ILE A 33 -1.687 -6.830 -2.372 1.00 0.00 C ATOM 506 CG2 ILE A 33 -0.087 -4.904 -2.624 1.00 0.00 C ATOM 507 CD1 ILE A 33 -1.920 -7.001 -3.863 1.00 0.00 C ATOM 0 H ILE A 33 -0.020 -8.619 -1.110 1.00 0.00 H new ATOM 0 HA ILE A 33 0.758 -7.398 -3.517 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.240 -6.200 -0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.832 -7.793 -1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.443 -6.153 -1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.888 -4.237 -2.304 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.873 -4.499 -2.303 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.099 -4.990 -3.711 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.926 -7.386 -4.032 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.811 -6.038 -4.361 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.190 -7.703 -4.267 1.00 0.00 H new ATOM 519 N SER A 34 3.067 -6.605 -3.005 1.00 0.00 N ATOM 520 CA SER A 34 4.370 -6.074 -2.755 1.00 0.00 C ATOM 521 C SER A 34 4.470 -4.684 -3.348 1.00 0.00 C ATOM 522 O SER A 34 3.461 -4.130 -3.812 1.00 0.00 O ATOM 523 CB SER A 34 5.429 -6.997 -3.347 1.00 0.00 C ATOM 524 OG SER A 34 5.265 -7.157 -4.745 1.00 0.00 O ATOM 0 H SER A 34 2.904 -6.900 -3.968 1.00 0.00 H new ATOM 0 HA SER A 34 4.540 -6.007 -1.680 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.420 -6.592 -3.141 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.375 -7.971 -2.861 1.00 0.00 H new ATOM 0 HG SER A 34 4.413 -7.607 -4.925 1.00 0.00 H new ATOM 530 N GLY A 35 5.679 -4.149 -3.382 1.00 0.00 N ATOM 531 CA GLY A 35 5.938 -2.828 -3.908 1.00 0.00 C ATOM 532 C GLY A 35 5.511 -2.697 -5.345 1.00 0.00 C ATOM 533 O GLY A 35 5.066 -1.626 -5.765 1.00 0.00 O ATOM 0 H GLY A 35 6.513 -4.627 -3.041 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.411 -2.088 -3.305 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.002 -2.607 -3.825 1.00 0.00 H new ATOM 537 N GLU A 36 5.608 -3.804 -6.076 1.00 0.00 N ATOM 538 CA GLU A 36 5.176 -3.896 -7.456 1.00 0.00 C ATOM 539 C GLU A 36 3.738 -3.439 -7.582 1.00 0.00 C ATOM 540 O GLU A 36 3.412 -2.553 -8.382 1.00 0.00 O ATOM 541 CB GLU A 36 5.288 -5.337 -7.937 1.00 0.00 C ATOM 542 CG GLU A 36 5.001 -5.496 -9.410 1.00 0.00 C ATOM 543 CD GLU A 36 5.929 -4.670 -10.254 1.00 0.00 C ATOM 544 OE1 GLU A 36 7.156 -4.835 -10.131 1.00 0.00 O ATOM 545 OE2 GLU A 36 5.452 -3.821 -11.032 1.00 0.00 O ATOM 0 H GLU A 36 5.997 -4.675 -5.714 1.00 0.00 H new ATOM 0 HA GLU A 36 5.813 -3.256 -8.066 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.292 -5.706 -7.727 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.595 -5.958 -7.369 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.096 -6.546 -9.687 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.970 -5.205 -9.612 1.00 0.00 H new ATOM 552 N GLN A 37 2.893 -3.981 -6.740 1.00 0.00 N ATOM 553 CA GLN A 37 1.502 -3.652 -6.807 1.00 0.00 C ATOM 554 C GLN A 37 1.168 -2.416 -6.006 1.00 0.00 C ATOM 555 O GLN A 37 0.145 -1.804 -6.231 1.00 0.00 O ATOM 556 CB GLN A 37 0.555 -4.838 -6.495 1.00 0.00 C ATOM 557 CG GLN A 37 1.116 -6.010 -5.700 1.00 0.00 C ATOM 558 CD GLN A 37 2.093 -6.914 -6.444 1.00 0.00 C ATOM 559 OE1 GLN A 37 2.947 -7.527 -5.834 1.00 0.00 O ATOM 560 NE2 GLN A 37 2.010 -6.969 -7.737 1.00 0.00 N ATOM 0 H GLN A 37 3.146 -4.645 -6.009 1.00 0.00 H new ATOM 0 HA GLN A 37 1.314 -3.414 -7.854 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.304 -4.445 -5.950 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.181 -5.226 -7.443 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.617 -5.617 -4.815 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.282 -6.619 -5.350 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.283 -6.445 -8.224 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.671 -7.537 -8.267 1.00 0.00 H new ATOM 569 N LEU A 38 2.066 -2.047 -5.114 1.00 0.00 N ATOM 570 CA LEU A 38 1.923 -0.881 -4.249 1.00 0.00 C ATOM 571 C LEU A 38 2.063 0.403 -5.100 1.00 0.00 C ATOM 572 O LEU A 38 1.216 1.283 -5.064 1.00 0.00 O ATOM 573 CB LEU A 38 3.045 -0.933 -3.178 1.00 0.00 C ATOM 574 CG LEU A 38 2.896 -0.122 -1.867 1.00 0.00 C ATOM 575 CD1 LEU A 38 4.148 -0.267 -1.038 1.00 0.00 C ATOM 576 CD2 LEU A 38 2.647 1.339 -2.115 1.00 0.00 C ATOM 0 H LEU A 38 2.936 -2.557 -4.963 1.00 0.00 H new ATOM 0 HA LEU A 38 0.947 -0.878 -3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.181 -1.978 -2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.968 -0.608 -3.658 1.00 0.00 H new ATOM 0 HG LEU A 38 2.030 -0.523 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.042 0.304 -0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.305 -1.318 -0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.003 0.108 -1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.551 1.859 -1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.482 1.760 -2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.728 1.459 -2.688 1.00 0.00 H new ATOM 588 N LEU A 39 3.131 0.473 -5.876 1.00 0.00 N ATOM 589 CA LEU A 39 3.456 1.662 -6.691 1.00 0.00 C ATOM 590 C LEU A 39 2.380 1.976 -7.709 1.00 0.00 C ATOM 591 O LEU A 39 2.102 3.140 -8.011 1.00 0.00 O ATOM 592 CB LEU A 39 4.772 1.436 -7.420 1.00 0.00 C ATOM 593 CG LEU A 39 6.011 1.308 -6.550 1.00 0.00 C ATOM 594 CD1 LEU A 39 7.144 0.684 -7.354 1.00 0.00 C ATOM 595 CD2 LEU A 39 6.416 2.685 -6.021 1.00 0.00 C ATOM 0 H LEU A 39 3.806 -0.286 -5.968 1.00 0.00 H new ATOM 0 HA LEU A 39 3.530 2.509 -6.009 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.680 0.530 -8.019 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.925 2.263 -8.114 1.00 0.00 H new ATOM 0 HG LEU A 39 5.793 0.661 -5.700 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.030 0.595 -6.725 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.843 -0.305 -7.700 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.371 1.315 -8.213 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.305 2.588 -5.398 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.631 3.348 -6.859 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.601 3.101 -5.429 1.00 0.00 H new ATOM 607 N GLN A 40 1.800 0.954 -8.241 1.00 0.00 N ATOM 608 CA GLN A 40 0.790 1.127 -9.259 1.00 0.00 C ATOM 609 C GLN A 40 -0.637 0.929 -8.700 1.00 0.00 C ATOM 610 O GLN A 40 -1.591 0.747 -9.459 1.00 0.00 O ATOM 611 CB GLN A 40 1.119 0.231 -10.482 1.00 0.00 C ATOM 612 CG GLN A 40 1.087 -1.271 -10.229 1.00 0.00 C ATOM 613 CD GLN A 40 -0.280 -1.856 -10.448 1.00 0.00 C ATOM 614 OE1 GLN A 40 -1.036 -1.402 -11.312 1.00 0.00 O ATOM 615 NE2 GLN A 40 -0.626 -2.825 -9.687 1.00 0.00 N ATOM 0 H GLN A 40 2.000 -0.016 -7.996 1.00 0.00 H new ATOM 0 HA GLN A 40 0.805 2.160 -9.607 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.412 0.462 -11.279 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.110 0.498 -10.848 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.801 -1.764 -10.889 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.407 -1.472 -9.206 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.022 -3.177 -8.983 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.550 -3.245 -9.785 1.00 0.00 H new ATOM 624 N LEU A 41 -0.777 0.999 -7.367 1.00 0.00 N ATOM 625 CA LEU A 41 -2.081 0.895 -6.714 1.00 0.00 C ATOM 626 C LEU A 41 -3.076 1.903 -7.257 1.00 0.00 C ATOM 627 O LEU A 41 -2.711 2.978 -7.754 1.00 0.00 O ATOM 628 CB LEU A 41 -1.979 1.073 -5.215 1.00 0.00 C ATOM 629 CG LEU A 41 -1.582 -0.137 -4.410 1.00 0.00 C ATOM 630 CD1 LEU A 41 -1.307 0.294 -3.016 1.00 0.00 C ATOM 631 CD2 LEU A 41 -2.696 -1.172 -4.415 1.00 0.00 C ATOM 0 H LEU A 41 0.003 1.128 -6.723 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.439 -0.111 -6.933 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.257 1.865 -5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.944 1.422 -4.848 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.693 -0.589 -4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.018 -0.570 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.497 1.024 -3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.204 0.745 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.390 -2.038 -3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.597 -0.739 -3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.900 -1.482 -5.440 1.00 0.00 H new ATOM 643 N ASP A 42 -4.319 1.576 -7.132 1.00 0.00 N ATOM 644 CA ASP A 42 -5.379 2.372 -7.674 1.00 0.00 C ATOM 645 C ASP A 42 -6.646 1.957 -6.974 1.00 0.00 C ATOM 646 O ASP A 42 -6.626 0.928 -6.281 1.00 0.00 O ATOM 647 CB ASP A 42 -5.483 2.093 -9.184 1.00 0.00 C ATOM 648 CG ASP A 42 -6.511 2.936 -9.855 1.00 0.00 C ATOM 649 OD1 ASP A 42 -6.229 4.105 -10.120 1.00 0.00 O ATOM 650 OD2 ASP A 42 -7.633 2.444 -10.074 1.00 0.00 O ATOM 0 H ASP A 42 -4.636 0.738 -6.645 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.201 3.438 -7.529 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.513 2.270 -9.650 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.724 1.041 -9.339 1.00 0.00 H new ATOM 655 N GLY A 43 -7.730 2.723 -7.138 1.00 0.00 N ATOM 656 CA GLY A 43 -9.009 2.374 -6.550 1.00 0.00 C ATOM 657 C GLY A 43 -9.436 1.001 -6.957 1.00 0.00 C ATOM 658 O GLY A 43 -9.955 0.268 -6.147 1.00 0.00 O ATOM 0 H GLY A 43 -7.737 3.589 -7.676 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.939 2.429 -5.464 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.763 3.098 -6.858 1.00 0.00 H new ATOM 662 N ASN A 44 -9.165 0.645 -8.215 1.00 0.00 N ATOM 663 CA ASN A 44 -9.445 -0.691 -8.734 1.00 0.00 C ATOM 664 C ASN A 44 -8.864 -1.756 -7.835 1.00 0.00 C ATOM 665 O ASN A 44 -9.556 -2.703 -7.445 1.00 0.00 O ATOM 666 CB ASN A 44 -8.874 -0.867 -10.132 1.00 0.00 C ATOM 667 CG ASN A 44 -9.676 -0.193 -11.226 1.00 0.00 C ATOM 668 OD1 ASN A 44 -10.583 -0.798 -11.802 1.00 0.00 O ATOM 669 ND2 ASN A 44 -9.357 1.036 -11.536 1.00 0.00 N ATOM 0 H ASN A 44 -8.746 1.275 -8.899 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.529 -0.798 -8.770 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.858 -0.473 -10.148 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -8.806 -1.932 -10.352 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.864 1.524 -12.275 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.601 1.507 -11.039 1.00 0.00 H new ATOM 676 N LYS A 45 -7.602 -1.582 -7.475 1.00 0.00 N ATOM 677 CA LYS A 45 -6.935 -2.514 -6.617 1.00 0.00 C ATOM 678 C LYS A 45 -7.483 -2.439 -5.210 1.00 0.00 C ATOM 679 O LYS A 45 -7.782 -3.443 -4.640 1.00 0.00 O ATOM 680 CB LYS A 45 -5.426 -2.299 -6.607 1.00 0.00 C ATOM 681 CG LYS A 45 -4.830 -2.196 -7.985 1.00 0.00 C ATOM 682 CD LYS A 45 -3.378 -2.665 -8.023 1.00 0.00 C ATOM 683 CE LYS A 45 -3.209 -4.155 -7.663 1.00 0.00 C ATOM 684 NZ LYS A 45 -3.935 -5.066 -8.586 1.00 0.00 N ATOM 0 H LYS A 45 -7.026 -0.794 -7.773 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.126 -3.510 -7.017 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.199 -1.389 -6.052 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.952 -3.124 -6.074 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.421 -2.793 -8.680 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.885 -1.162 -8.326 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.973 -2.491 -9.020 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.790 -2.062 -7.331 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.149 -4.407 -7.674 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.565 -4.319 -6.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.728 -6.053 -8.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.958 -4.896 -8.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.628 -4.887 -9.563 1.00 0.00 H new ATOM 698 N LEU A 46 -7.661 -1.227 -4.691 1.00 0.00 N ATOM 699 CA LEU A 46 -8.180 -1.012 -3.319 1.00 0.00 C ATOM 700 C LEU A 46 -9.529 -1.690 -3.141 1.00 0.00 C ATOM 701 O LEU A 46 -9.827 -2.291 -2.096 1.00 0.00 O ATOM 702 CB LEU A 46 -8.311 0.485 -3.038 1.00 0.00 C ATOM 703 CG LEU A 46 -7.008 1.286 -3.100 1.00 0.00 C ATOM 704 CD1 LEU A 46 -7.271 2.764 -2.895 1.00 0.00 C ATOM 705 CD2 LEU A 46 -6.003 0.771 -2.076 1.00 0.00 C ATOM 0 H LEU A 46 -7.455 -0.364 -5.195 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.475 -1.451 -2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.013 0.911 -3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.749 0.614 -2.048 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.580 1.152 -4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.330 3.311 -2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.942 3.126 -3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.731 2.920 -1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.086 1.356 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.424 0.864 -1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.780 -0.276 -2.280 1.00 0.00 H new ATOM 717 N LYS A 47 -10.325 -1.633 -4.179 1.00 0.00 N ATOM 718 CA LYS A 47 -11.606 -2.271 -4.180 1.00 0.00 C ATOM 719 C LYS A 47 -11.437 -3.799 -4.208 1.00 0.00 C ATOM 720 O LYS A 47 -12.156 -4.525 -3.523 1.00 0.00 O ATOM 721 CB LYS A 47 -12.457 -1.765 -5.352 1.00 0.00 C ATOM 722 CG LYS A 47 -12.822 -0.280 -5.249 1.00 0.00 C ATOM 723 CD LYS A 47 -13.227 0.324 -6.602 1.00 0.00 C ATOM 724 CE LYS A 47 -14.447 -0.360 -7.231 1.00 0.00 C ATOM 725 NZ LYS A 47 -15.678 -0.208 -6.422 1.00 0.00 N ATOM 0 H LYS A 47 -10.098 -1.142 -5.044 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.135 -2.015 -3.262 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.915 -1.934 -6.283 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.373 -2.353 -5.405 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.642 -0.160 -4.541 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.972 0.272 -4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.442 1.384 -6.469 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.385 0.254 -7.290 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.618 0.056 -8.224 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.234 -1.421 -7.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -16.471 -0.676 -6.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.536 -0.644 -5.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.893 0.803 -6.303 1.00 0.00 H new ATOM 739 N ALA A 48 -10.432 -4.259 -4.931 1.00 0.00 N ATOM 740 CA ALA A 48 -10.120 -5.692 -5.059 1.00 0.00 C ATOM 741 C ALA A 48 -9.458 -6.239 -3.780 1.00 0.00 C ATOM 742 O ALA A 48 -9.274 -7.448 -3.619 1.00 0.00 O ATOM 743 CB ALA A 48 -9.232 -5.939 -6.268 1.00 0.00 C ATOM 0 H ALA A 48 -9.799 -3.654 -5.454 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.059 -6.226 -5.202 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.012 -7.004 -6.346 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.745 -5.607 -7.170 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.301 -5.383 -6.155 1.00 0.00 H new ATOM 749 N LEU A 49 -9.082 -5.345 -2.897 1.00 0.00 N ATOM 750 CA LEU A 49 -8.569 -5.698 -1.596 1.00 0.00 C ATOM 751 C LEU A 49 -9.739 -5.922 -0.635 1.00 0.00 C ATOM 752 O LEU A 49 -9.556 -6.207 0.538 1.00 0.00 O ATOM 753 CB LEU A 49 -7.630 -4.602 -1.059 1.00 0.00 C ATOM 754 CG LEU A 49 -6.099 -4.697 -1.358 1.00 0.00 C ATOM 755 CD1 LEU A 49 -5.492 -5.931 -0.757 1.00 0.00 C ATOM 756 CD2 LEU A 49 -5.779 -4.647 -2.831 1.00 0.00 C ATOM 0 H LEU A 49 -9.124 -4.340 -3.064 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.990 -6.617 -1.681 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.982 -3.647 -1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.751 -4.567 0.024 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.659 -3.815 -0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.427 -5.961 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.630 -5.915 0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.978 -6.814 -1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.700 -4.717 -2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.266 -5.480 -3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.139 -3.707 -3.250 1.00 0.00 H new ATOM 768 N GLY A 50 -10.947 -5.719 -1.141 1.00 0.00 N ATOM 769 CA GLY A 50 -12.153 -6.009 -0.393 1.00 0.00 C ATOM 770 C GLY A 50 -12.413 -5.065 0.756 1.00 0.00 C ATOM 771 O GLY A 50 -13.336 -5.282 1.544 1.00 0.00 O ATOM 0 H GLY A 50 -11.114 -5.350 -2.077 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.004 -5.979 -1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.091 -7.026 -0.006 1.00 0.00 H new ATOM 775 N MET A 51 -11.630 -4.020 0.875 1.00 0.00 N ATOM 776 CA MET A 51 -11.844 -3.105 1.969 1.00 0.00 C ATOM 777 C MET A 51 -12.797 -2.032 1.538 1.00 0.00 C ATOM 778 O MET A 51 -13.830 -1.833 2.175 1.00 0.00 O ATOM 779 CB MET A 51 -10.549 -2.553 2.517 1.00 0.00 C ATOM 780 CG MET A 51 -10.704 -1.898 3.879 1.00 0.00 C ATOM 781 SD MET A 51 -11.389 -3.038 5.116 1.00 0.00 S ATOM 782 CE MET A 51 -10.119 -4.311 5.166 1.00 0.00 C ATOM 0 H MET A 51 -10.860 -3.786 0.248 1.00 0.00 H new ATOM 0 HA MET A 51 -12.293 -3.649 2.800 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.820 -3.360 2.590 1.00 0.00 H new ATOM 0 HB3 MET A 51 -10.147 -1.823 1.814 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.733 -1.537 4.219 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.355 -1.028 3.790 1.00 0.00 H new ATOM 0 HE1 MET A 51 -9.951 -4.617 6.199 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.443 -5.172 4.581 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.192 -3.917 4.749 1.00 0.00 H new ATOM 792 N THR A 52 -12.468 -1.373 0.426 1.00 0.00 N ATOM 793 CA THR A 52 -13.338 -0.404 -0.259 1.00 0.00 C ATOM 794 C THR A 52 -13.816 0.724 0.669 1.00 0.00 C ATOM 795 O THR A 52 -14.926 1.255 0.507 1.00 0.00 O ATOM 796 CB THR A 52 -14.562 -1.121 -0.915 1.00 0.00 C ATOM 797 OG1 THR A 52 -15.402 -1.771 0.054 1.00 0.00 O ATOM 798 CG2 THR A 52 -14.106 -2.151 -1.910 1.00 0.00 C ATOM 0 H THR A 52 -11.568 -1.498 -0.038 1.00 0.00 H new ATOM 0 HA THR A 52 -12.733 0.057 -1.040 1.00 0.00 H new ATOM 0 HB THR A 52 -15.139 -0.341 -1.411 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.100 -1.539 0.957 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.974 -2.637 -2.354 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.521 -1.667 -2.692 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.491 -2.896 -1.406 1.00 0.00 H new ATOM 806 N SER A 53 -12.975 1.092 1.596 1.00 0.00 N ATOM 807 CA SER A 53 -13.260 2.113 2.563 1.00 0.00 C ATOM 808 C SER A 53 -13.298 3.542 1.943 1.00 0.00 C ATOM 809 O SER A 53 -13.267 3.709 0.716 1.00 0.00 O ATOM 810 CB SER A 53 -12.221 1.986 3.662 1.00 0.00 C ATOM 811 OG SER A 53 -12.319 0.707 4.270 1.00 0.00 O ATOM 0 H SER A 53 -12.049 0.678 1.701 1.00 0.00 H new ATOM 0 HA SER A 53 -14.262 1.971 2.969 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.222 2.127 3.249 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.370 2.766 4.408 1.00 0.00 H new ATOM 0 HG SER A 53 -11.645 0.629 4.978 1.00 0.00 H new ATOM 817 N SER A 54 -13.446 4.550 2.776 1.00 0.00 N ATOM 818 CA SER A 54 -13.471 5.920 2.312 1.00 0.00 C ATOM 819 C SER A 54 -12.143 6.656 2.549 1.00 0.00 C ATOM 820 O SER A 54 -11.669 7.398 1.670 1.00 0.00 O ATOM 821 CB SER A 54 -14.640 6.636 2.966 1.00 0.00 C ATOM 822 OG SER A 54 -14.756 6.229 4.328 1.00 0.00 O ATOM 0 H SER A 54 -13.551 4.445 3.785 1.00 0.00 H new ATOM 0 HA SER A 54 -13.605 5.916 1.230 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.494 7.715 2.911 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.562 6.411 2.430 1.00 0.00 H new ATOM 0 HG SER A 54 -15.510 6.695 4.746 1.00 0.00 H new ATOM 828 N GLN A 55 -11.539 6.434 3.717 1.00 0.00 N ATOM 829 CA GLN A 55 -10.289 7.104 4.098 1.00 0.00 C ATOM 830 C GLN A 55 -9.176 6.770 3.128 1.00 0.00 C ATOM 831 O GLN A 55 -8.449 7.648 2.653 1.00 0.00 O ATOM 832 CB GLN A 55 -9.838 6.668 5.500 1.00 0.00 C ATOM 833 CG GLN A 55 -8.505 7.291 5.918 1.00 0.00 C ATOM 834 CD GLN A 55 -7.933 6.708 7.188 1.00 0.00 C ATOM 835 OE1 GLN A 55 -8.211 7.174 8.273 1.00 0.00 O ATOM 836 NE2 GLN A 55 -7.107 5.692 7.052 1.00 0.00 N ATOM 0 H GLN A 55 -11.897 5.790 4.423 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.487 8.176 4.084 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -10.605 6.943 6.224 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -9.750 5.582 5.526 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.784 7.159 5.111 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.642 8.364 6.051 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.897 5.327 6.123 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.677 5.270 7.875 1.00 0.00 H new ATOM 845 N ASP A 56 -9.080 5.516 2.811 1.00 0.00 N ATOM 846 CA ASP A 56 -7.989 4.985 2.029 1.00 0.00 C ATOM 847 C ASP A 56 -8.018 5.533 0.623 1.00 0.00 C ATOM 848 O ASP A 56 -7.007 6.005 0.143 1.00 0.00 O ATOM 849 CB ASP A 56 -8.050 3.458 1.994 1.00 0.00 C ATOM 850 CG ASP A 56 -9.271 2.959 1.261 1.00 0.00 C ATOM 851 OD1 ASP A 56 -10.368 3.297 1.691 1.00 0.00 O ATOM 852 OD2 ASP A 56 -9.132 2.309 0.218 1.00 0.00 O ATOM 0 H ASP A 56 -9.766 4.814 3.090 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.056 5.292 2.502 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.153 3.070 1.511 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.056 3.072 3.013 1.00 0.00 H new ATOM 857 N ARG A 57 -9.190 5.552 0.014 1.00 0.00 N ATOM 858 CA ARG A 57 -9.369 5.985 -1.374 1.00 0.00 C ATOM 859 C ARG A 57 -8.842 7.397 -1.603 1.00 0.00 C ATOM 860 O ARG A 57 -8.607 7.808 -2.732 1.00 0.00 O ATOM 861 CB ARG A 57 -10.838 5.890 -1.773 1.00 0.00 C ATOM 862 CG ARG A 57 -11.424 4.488 -1.664 1.00 0.00 C ATOM 863 CD ARG A 57 -10.827 3.515 -2.678 1.00 0.00 C ATOM 864 NE ARG A 57 -11.100 3.930 -4.062 1.00 0.00 N ATOM 865 CZ ARG A 57 -12.243 3.705 -4.730 1.00 0.00 C ATOM 866 NH1 ARG A 57 -13.269 3.113 -4.129 1.00 0.00 N ATOM 867 NH2 ARG A 57 -12.361 4.095 -5.995 1.00 0.00 N ATOM 0 H ARG A 57 -10.058 5.266 0.468 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.785 5.315 -2.005 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -11.418 6.564 -1.144 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.948 6.239 -2.800 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.254 4.106 -0.657 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.503 4.538 -1.808 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.750 3.447 -2.525 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.237 2.519 -2.510 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.360 4.430 -4.555 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -13.192 2.826 -3.153 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -14.134 2.946 -4.643 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.583 4.565 -6.458 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.229 3.924 -6.502 1.00 0.00 H new ATOM 881 N ALA A 58 -8.677 8.131 -0.538 1.00 0.00 N ATOM 882 CA ALA A 58 -8.088 9.420 -0.612 1.00 0.00 C ATOM 883 C ALA A 58 -6.642 9.373 -0.097 1.00 0.00 C ATOM 884 O ALA A 58 -5.725 9.890 -0.733 1.00 0.00 O ATOM 885 CB ALA A 58 -8.910 10.408 0.188 1.00 0.00 C ATOM 0 H ALA A 58 -8.950 7.844 0.402 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.069 9.745 -1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -8.452 11.395 0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.921 10.451 -0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.949 10.090 1.230 1.00 0.00 H new ATOM 891 N LEU A 59 -6.436 8.694 1.011 1.00 0.00 N ATOM 892 CA LEU A 59 -5.146 8.706 1.678 1.00 0.00 C ATOM 893 C LEU A 59 -4.091 7.837 1.019 1.00 0.00 C ATOM 894 O LEU A 59 -3.004 8.327 0.679 1.00 0.00 O ATOM 895 CB LEU A 59 -5.243 8.318 3.126 1.00 0.00 C ATOM 896 CG LEU A 59 -3.947 8.570 3.895 1.00 0.00 C ATOM 897 CD1 LEU A 59 -3.507 10.020 3.766 1.00 0.00 C ATOM 898 CD2 LEU A 59 -4.083 8.197 5.324 1.00 0.00 C ATOM 0 H LEU A 59 -7.145 8.124 1.472 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.827 9.745 1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.052 8.878 3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.503 7.262 3.198 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.179 7.936 3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.582 10.171 4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.340 10.258 2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.282 10.673 4.167 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.143 8.389 5.841 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.876 8.789 5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.330 7.138 5.402 1.00 0.00 H new ATOM 910 N VAL A 60 -4.377 6.545 0.840 1.00 0.00 N ATOM 911 CA VAL A 60 -3.401 5.646 0.245 1.00 0.00 C ATOM 912 C VAL A 60 -3.153 6.055 -1.200 1.00 0.00 C ATOM 913 O VAL A 60 -2.077 5.875 -1.733 1.00 0.00 O ATOM 914 CB VAL A 60 -3.806 4.125 0.345 1.00 0.00 C ATOM 915 CG1 VAL A 60 -5.129 3.844 -0.274 1.00 0.00 C ATOM 916 CG2 VAL A 60 -2.798 3.279 -0.328 1.00 0.00 C ATOM 0 H VAL A 60 -5.263 6.109 1.096 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.479 5.739 0.819 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.862 3.894 1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.358 2.783 -0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.898 4.429 0.230 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.102 4.114 -1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.091 2.232 -0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.730 3.560 -1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.828 3.420 0.149 1.00 0.00 H new ATOM 926 N LYS A 61 -4.121 6.759 -1.734 1.00 0.00 N ATOM 927 CA LYS A 61 -4.128 7.202 -3.114 1.00 0.00 C ATOM 928 C LYS A 61 -3.052 8.251 -3.295 1.00 0.00 C ATOM 929 O LYS A 61 -2.423 8.361 -4.344 1.00 0.00 O ATOM 930 CB LYS A 61 -5.491 7.799 -3.437 1.00 0.00 C ATOM 931 CG LYS A 61 -5.763 8.048 -4.910 1.00 0.00 C ATOM 932 CD LYS A 61 -5.785 6.735 -5.679 1.00 0.00 C ATOM 933 CE LYS A 61 -6.341 6.917 -7.074 1.00 0.00 C ATOM 934 NZ LYS A 61 -5.453 7.703 -7.954 1.00 0.00 N ATOM 0 H LYS A 61 -4.948 7.049 -1.211 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.935 6.363 -3.782 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.261 7.131 -3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.591 8.744 -2.902 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.718 8.561 -5.028 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.996 8.704 -5.321 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.775 6.331 -5.739 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.388 6.006 -5.138 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.512 5.938 -7.521 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.310 7.412 -7.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.888 7.793 -8.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.309 8.649 -7.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.536 7.221 -8.041 1.00 0.00 H new ATOM 948 N LYS A 62 -2.823 8.976 -2.237 1.00 0.00 N ATOM 949 CA LYS A 62 -1.847 10.023 -2.220 1.00 0.00 C ATOM 950 C LYS A 62 -0.493 9.442 -1.876 1.00 0.00 C ATOM 951 O LYS A 62 0.518 9.765 -2.486 1.00 0.00 O ATOM 952 CB LYS A 62 -2.238 11.089 -1.195 1.00 0.00 C ATOM 953 CG LYS A 62 -1.188 12.159 -1.031 1.00 0.00 C ATOM 954 CD LYS A 62 -1.610 13.247 -0.073 1.00 0.00 C ATOM 955 CE LYS A 62 -0.555 14.337 -0.007 1.00 0.00 C ATOM 956 NZ LYS A 62 -0.896 15.386 0.971 1.00 0.00 N ATOM 0 H LYS A 62 -3.316 8.853 -1.352 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.800 10.488 -3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.177 11.552 -1.500 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.416 10.611 -0.232 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.264 11.704 -0.674 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.970 12.601 -2.003 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.561 13.672 -0.393 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.767 12.825 0.919 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.405 13.895 0.258 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.438 14.787 -0.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.147 16.108 0.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.799 15.828 0.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.982 14.964 1.917 1.00 0.00 H new ATOM 970 N LYS A 63 -0.495 8.557 -0.926 1.00 0.00 N ATOM 971 CA LYS A 63 0.724 7.970 -0.446 1.00 0.00 C ATOM 972 C LYS A 63 1.397 7.126 -1.531 1.00 0.00 C ATOM 973 O LYS A 63 2.602 7.185 -1.712 1.00 0.00 O ATOM 974 CB LYS A 63 0.455 7.108 0.759 1.00 0.00 C ATOM 975 CG LYS A 63 1.467 7.312 1.878 1.00 0.00 C ATOM 976 CD LYS A 63 1.329 8.692 2.523 1.00 0.00 C ATOM 977 CE LYS A 63 -0.033 8.886 3.205 1.00 0.00 C ATOM 978 NZ LYS A 63 -0.088 10.179 3.922 1.00 0.00 N ATOM 0 H LYS A 63 -1.338 8.220 -0.461 1.00 0.00 H new ATOM 0 HA LYS A 63 1.394 8.784 -0.169 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.544 7.324 1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.462 6.061 0.458 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.331 6.541 2.636 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.476 7.195 1.482 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.123 8.828 3.258 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.464 9.461 1.762 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.826 8.846 2.459 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.213 8.070 3.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.507 10.036 4.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.874 10.560 4.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.670 10.851 3.382 1.00 0.00 H new ATOM 992 N LEU A 64 0.587 6.381 -2.274 1.00 0.00 N ATOM 993 CA LEU A 64 1.070 5.492 -3.309 1.00 0.00 C ATOM 994 C LEU A 64 1.749 6.269 -4.428 1.00 0.00 C ATOM 995 O LEU A 64 2.711 5.796 -5.024 1.00 0.00 O ATOM 996 CB LEU A 64 -0.078 4.581 -3.844 1.00 0.00 C ATOM 997 CG LEU A 64 -1.183 5.218 -4.733 1.00 0.00 C ATOM 998 CD1 LEU A 64 -0.755 5.303 -6.196 1.00 0.00 C ATOM 999 CD2 LEU A 64 -2.491 4.463 -4.608 1.00 0.00 C ATOM 0 H LEU A 64 -0.428 6.381 -2.170 1.00 0.00 H new ATOM 0 HA LEU A 64 1.824 4.838 -2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.380 3.773 -4.414 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.568 4.126 -2.983 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.336 6.235 -4.370 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.555 5.754 -6.783 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.144 5.914 -6.277 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.548 4.302 -6.573 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.244 4.932 -5.241 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.346 3.429 -4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.825 4.484 -3.571 1.00 0.00 H new ATOM 1011 N LYS A 65 1.277 7.478 -4.687 1.00 0.00 N ATOM 1012 CA LYS A 65 1.845 8.273 -5.770 1.00 0.00 C ATOM 1013 C LYS A 65 3.135 8.968 -5.352 1.00 0.00 C ATOM 1014 O LYS A 65 3.955 9.330 -6.200 1.00 0.00 O ATOM 1015 CB LYS A 65 0.826 9.265 -6.386 1.00 0.00 C ATOM 1016 CG LYS A 65 0.179 10.210 -5.391 1.00 0.00 C ATOM 1017 CD LYS A 65 -0.836 11.147 -6.041 1.00 0.00 C ATOM 1018 CE LYS A 65 -0.173 12.222 -6.891 1.00 0.00 C ATOM 1019 NZ LYS A 65 0.613 13.178 -6.075 1.00 0.00 N ATOM 0 H LYS A 65 0.517 7.926 -4.175 1.00 0.00 H new ATOM 0 HA LYS A 65 2.101 7.569 -6.561 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.331 9.855 -7.151 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.043 8.696 -6.887 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.316 9.629 -4.613 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.953 10.802 -4.903 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.517 10.565 -6.662 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.438 11.621 -5.265 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.481 11.750 -7.625 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.937 12.765 -7.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.846 14.014 -6.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.054 13.470 -5.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.491 12.722 -5.755 1.00 0.00 H new ATOM 1033 N GLU A 66 3.353 9.093 -4.058 1.00 0.00 N ATOM 1034 CA GLU A 66 4.548 9.756 -3.550 1.00 0.00 C ATOM 1035 C GLU A 66 5.515 8.749 -2.936 1.00 0.00 C ATOM 1036 O GLU A 66 6.518 9.141 -2.321 1.00 0.00 O ATOM 1037 CB GLU A 66 4.171 10.803 -2.513 1.00 0.00 C ATOM 1038 CG GLU A 66 3.557 10.227 -1.265 1.00 0.00 C ATOM 1039 CD GLU A 66 2.988 11.293 -0.356 1.00 0.00 C ATOM 1040 OE1 GLU A 66 1.989 11.924 -0.706 1.00 0.00 O ATOM 1041 OE2 GLU A 66 3.545 11.543 0.714 1.00 0.00 O ATOM 0 H GLU A 66 2.722 8.746 -3.336 1.00 0.00 H new ATOM 0 HA GLU A 66 5.043 10.243 -4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.062 11.369 -2.241 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.470 11.508 -2.960 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.766 9.529 -1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.311 9.656 -0.723 1.00 0.00 H new ATOM 1048 N MET A 67 5.237 7.456 -3.138 1.00 0.00 N ATOM 1049 CA MET A 67 6.064 6.356 -2.576 1.00 0.00 C ATOM 1050 C MET A 67 7.511 6.532 -2.881 1.00 0.00 C ATOM 1051 O MET A 67 8.351 6.363 -2.033 1.00 0.00 O ATOM 1052 CB MET A 67 5.670 4.999 -3.129 1.00 0.00 C ATOM 1053 CG MET A 67 4.378 4.506 -2.622 1.00 0.00 C ATOM 1054 SD MET A 67 4.354 4.419 -0.838 1.00 0.00 S ATOM 1055 CE MET A 67 5.694 3.276 -0.500 1.00 0.00 C ATOM 0 H MET A 67 4.442 7.133 -3.689 1.00 0.00 H new ATOM 0 HA MET A 67 5.887 6.397 -1.501 1.00 0.00 H new ATOM 0 HB2 MET A 67 5.625 5.059 -4.216 1.00 0.00 H new ATOM 0 HB3 MET A 67 6.447 4.276 -2.882 1.00 0.00 H new ATOM 0 HG2 MET A 67 3.579 5.163 -2.964 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.178 3.518 -3.037 1.00 0.00 H new ATOM 0 HE1 MET A 67 5.633 2.940 0.535 1.00 0.00 H new ATOM 0 HE2 MET A 67 5.616 2.416 -1.166 1.00 0.00 H new ATOM 0 HE3 MET A 67 6.649 3.776 -0.664 1.00 0.00 H new ATOM 1065 N LYS A 68 7.781 6.943 -4.075 1.00 0.00 N ATOM 1066 CA LYS A 68 9.157 7.056 -4.566 1.00 0.00 C ATOM 1067 C LYS A 68 9.989 8.092 -3.808 1.00 0.00 C ATOM 1068 O LYS A 68 11.217 7.996 -3.753 1.00 0.00 O ATOM 1069 CB LYS A 68 9.177 7.274 -6.075 1.00 0.00 C ATOM 1070 CG LYS A 68 8.309 8.430 -6.557 1.00 0.00 C ATOM 1071 CD LYS A 68 8.223 8.493 -8.082 1.00 0.00 C ATOM 1072 CE LYS A 68 7.771 7.160 -8.706 1.00 0.00 C ATOM 1073 NZ LYS A 68 7.702 7.230 -10.178 1.00 0.00 N ATOM 0 H LYS A 68 7.071 7.215 -4.755 1.00 0.00 H new ATOM 0 HA LYS A 68 9.647 6.104 -4.362 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.205 7.452 -6.390 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.847 6.359 -6.566 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.306 8.326 -6.143 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.715 9.368 -6.179 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.526 9.280 -8.371 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.198 8.767 -8.486 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.463 6.370 -8.413 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.792 6.889 -8.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.394 6.311 -10.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.022 7.965 -10.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.641 7.463 -10.559 1.00 0.00 H new ATOM 1087 N MET A 69 9.327 9.035 -3.177 1.00 0.00 N ATOM 1088 CA MET A 69 10.025 10.041 -2.401 1.00 0.00 C ATOM 1089 C MET A 69 9.723 9.855 -0.915 1.00 0.00 C ATOM 1090 O MET A 69 10.097 10.676 -0.081 1.00 0.00 O ATOM 1091 CB MET A 69 9.656 11.461 -2.859 1.00 0.00 C ATOM 1092 CG MET A 69 8.207 11.869 -2.614 1.00 0.00 C ATOM 1093 SD MET A 69 7.865 13.546 -3.177 1.00 0.00 S ATOM 1094 CE MET A 69 6.156 13.737 -2.671 1.00 0.00 C ATOM 0 H MET A 69 8.311 9.129 -3.184 1.00 0.00 H new ATOM 0 HA MET A 69 11.095 9.915 -2.563 1.00 0.00 H new ATOM 0 HB2 MET A 69 10.307 12.170 -2.348 1.00 0.00 H new ATOM 0 HB3 MET A 69 9.865 11.547 -3.925 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.544 11.173 -3.128 1.00 0.00 H new ATOM 0 HG3 MET A 69 7.985 11.793 -1.549 1.00 0.00 H new ATOM 0 HE1 MET A 69 5.888 14.793 -2.687 1.00 0.00 H new ATOM 0 HE2 MET A 69 5.510 13.188 -3.356 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.030 13.346 -1.661 1.00 0.00 H new ATOM 1104 N SER A 70 9.075 8.756 -0.594 1.00 0.00 N ATOM 1105 CA SER A 70 8.696 8.488 0.768 1.00 0.00 C ATOM 1106 C SER A 70 9.265 7.164 1.278 1.00 0.00 C ATOM 1107 O SER A 70 9.636 7.074 2.425 1.00 0.00 O ATOM 1108 CB SER A 70 7.178 8.500 0.892 1.00 0.00 C ATOM 1109 OG SER A 70 6.657 9.745 0.444 1.00 0.00 O ATOM 0 H SER A 70 8.801 8.035 -1.262 1.00 0.00 H new ATOM 0 HA SER A 70 9.119 9.276 1.391 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.752 7.687 0.304 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.889 8.329 1.929 1.00 0.00 H new ATOM 0 HG SER A 70 6.541 9.720 -0.529 1.00 0.00 H new ATOM 1115 N LEU A 71 9.400 6.179 0.392 1.00 0.00 N ATOM 1116 CA LEU A 71 9.813 4.806 0.733 1.00 0.00 C ATOM 1117 C LEU A 71 11.090 4.712 1.562 1.00 0.00 C ATOM 1118 O LEU A 71 11.285 3.767 2.327 1.00 0.00 O ATOM 1119 CB LEU A 71 9.913 3.969 -0.548 1.00 0.00 C ATOM 1120 CG LEU A 71 10.916 4.429 -1.659 1.00 0.00 C ATOM 1121 CD1 LEU A 71 12.352 4.037 -1.358 1.00 0.00 C ATOM 1122 CD2 LEU A 71 10.509 3.913 -3.026 1.00 0.00 C ATOM 0 H LEU A 71 9.223 6.309 -0.604 1.00 0.00 H new ATOM 0 HA LEU A 71 9.038 4.402 1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.179 2.952 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.920 3.925 -0.995 1.00 0.00 H new ATOM 0 HG LEU A 71 10.871 5.518 -1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.000 4.383 -2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 71 12.665 4.494 -0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.423 2.952 -1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.228 4.252 -3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.487 2.823 -3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.519 4.292 -3.278 1.00 0.00 H new ATOM 1134 N GLU A 72 11.958 5.647 1.379 1.00 0.00 N ATOM 1135 CA GLU A 72 13.163 5.659 2.119 1.00 0.00 C ATOM 1136 C GLU A 72 13.077 6.600 3.306 1.00 0.00 C ATOM 1137 O GLU A 72 13.607 6.320 4.392 1.00 0.00 O ATOM 1138 CB GLU A 72 14.326 6.047 1.218 1.00 0.00 C ATOM 1139 CG GLU A 72 15.556 6.508 1.966 1.00 0.00 C ATOM 1140 CD GLU A 72 16.773 6.597 1.108 1.00 0.00 C ATOM 1141 OE1 GLU A 72 17.342 5.551 0.741 1.00 0.00 O ATOM 1142 OE2 GLU A 72 17.219 7.712 0.800 1.00 0.00 O ATOM 0 H GLU A 72 11.850 6.416 0.718 1.00 0.00 H new ATOM 0 HA GLU A 72 13.331 4.654 2.505 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.591 5.192 0.596 1.00 0.00 H new ATOM 0 HB3 GLU A 72 14.002 6.842 0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 72 15.359 7.485 2.407 1.00 0.00 H new ATOM 0 HG3 GLU A 72 15.750 5.820 2.789 1.00 0.00 H new ATOM 1149 N LYS A 73 12.397 7.682 3.108 1.00 0.00 N ATOM 1150 CA LYS A 73 12.417 8.761 4.053 1.00 0.00 C ATOM 1151 C LYS A 73 11.414 8.562 5.183 1.00 0.00 C ATOM 1152 O LYS A 73 11.702 8.879 6.345 1.00 0.00 O ATOM 1153 CB LYS A 73 12.165 10.083 3.331 1.00 0.00 C ATOM 1154 CG LYS A 73 13.132 10.346 2.181 1.00 0.00 C ATOM 1155 CD LYS A 73 12.805 11.636 1.455 1.00 0.00 C ATOM 1156 CE LYS A 73 13.718 11.846 0.264 1.00 0.00 C ATOM 1157 NZ LYS A 73 13.391 13.084 -0.467 1.00 0.00 N ATOM 0 H LYS A 73 11.811 7.847 2.289 1.00 0.00 H new ATOM 0 HA LYS A 73 13.405 8.781 4.513 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.145 10.088 2.945 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.238 10.899 4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 73 14.151 10.394 2.566 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.096 9.514 1.478 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.768 11.615 1.121 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.901 12.477 2.142 1.00 0.00 H new ATOM 0 HE2 LYS A 73 14.753 11.887 0.603 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.637 10.994 -0.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 14.038 13.192 -1.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.411 13.035 -0.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.493 13.900 0.169 1.00 0.00 H new ATOM 1171 N ALA A 74 10.272 8.028 4.851 1.00 0.00 N ATOM 1172 CA ALA A 74 9.204 7.846 5.783 1.00 0.00 C ATOM 1173 C ALA A 74 8.301 6.730 5.292 1.00 0.00 C ATOM 1174 O ALA A 74 7.405 6.987 4.482 1.00 0.00 O ATOM 1175 CB ALA A 74 8.432 9.143 5.936 1.00 0.00 C ATOM 1176 OXT ALA A 74 8.506 5.569 5.702 1.00 0.00 O ATOM 0 H ALA A 74 10.057 7.703 3.908 1.00 0.00 H new ATOM 0 HA ALA A 74 9.602 7.571 6.760 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.618 9.000 6.647 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.100 9.923 6.300 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.022 9.438 4.970 1.00 0.00 H new TER 1182 ALA A 74