USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 919 hydrogens (12 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 48 LYS NZ :NH3+ -159:sc= -0.087 (180deg=-0.802) USER MOD Set 1.2: A 49 TYR OH : rot -163:sc= 1.07 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= 0.247 (180deg=-0.0886!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.91!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0366) USER MOD Single : A 28 SER OG : rot 138:sc= -0.827! USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -145:sc= -1.72 (180deg=-3.97!) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -108:sc= -0.647 (180deg=-2.18!) USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.0829 F(o=-0.64,f=-0.083) USER MOD Single : A 44 SER OG : rot 146:sc= 0.799 USER MOD Single : A 46 SER OG : rot 94:sc= -0.916 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= -2.62 F(o=-3.2!,f=-2.6) USER MOD Single : A 63 GLN : amide:sc= 0.439 K(o=0.44,f=-1.6!) USER MOD Single : A 67 SER OG : rot 87:sc= 1.1 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.914 USER MOD Single : A 76 THR OG1 : rot -46:sc= -1.99! USER MOD Single : A 78 GLN : amide:sc= -1.22 K(o=-1.2,f=-4.7!) USER MOD Single : A 81 LYS NZ :NH3+ -150:sc= 1 (180deg=0.444) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN :FLIP amide:sc= -1.33 F(o=-5.5!,f=-1.3) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 122:sc= 1.21 USER MOD Single : A 93 ASN :FLIP amide:sc= -2.55 F(o=-3.7!,f=-2.5) USER MOD Single : A 94 LYS NZ :NH3+ 154:sc= -0.299 (180deg=-1.3!) USER MOD Single : A 96 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.118) USER MOD Single : A 100 THR OG1 : rot -130:sc= -0.583 USER MOD Single : A 102 ASN : amide:sc= -0.104 K(o=-0.1,f=-0.72) USER MOD Single : B 1 PHE N :NH3+ -166:sc= 0.595 (180deg=0.28) USER MOD Single : B 5 TYR OH : rot 0:sc= -2.41 USER MOD Single : B 11 SER OG : rot -45:sc= 0.378 USER MOD Single : B 12 HIS : no HD1:sc= -0.356 K(o=-0.36,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.525 -3.191 8.027 1.00 0.73 N ATOM 2 CA MET A 1 -6.583 -2.420 8.886 1.00 0.31 C ATOM 3 C MET A 1 -5.234 -2.290 8.168 1.00 0.24 C ATOM 4 O MET A 1 -5.128 -2.527 6.981 1.00 0.21 O ATOM 5 CB MET A 1 -6.394 -3.148 10.220 1.00 0.70 C ATOM 6 CG MET A 1 -7.676 -3.037 11.053 1.00 1.55 C ATOM 7 SD MET A 1 -9.026 -3.908 10.217 1.00 2.25 S ATOM 8 CE MET A 1 -8.736 -5.539 10.946 1.00 2.89 C ATOM 0 H1 MET A 1 -8.371 -3.442 8.578 1.00 0.73 H new ATOM 0 H2 MET A 1 -7.803 -2.611 7.210 1.00 0.73 H new ATOM 0 H3 MET A 1 -7.059 -4.059 7.693 1.00 0.73 H new ATOM 0 HA MET A 1 -6.989 -1.426 9.076 1.00 0.31 H new ATOM 0 HB2 MET A 1 -6.153 -4.196 10.043 1.00 0.70 H new ATOM 0 HB3 MET A 1 -5.555 -2.716 10.766 1.00 0.70 H new ATOM 0 HG2 MET A 1 -7.515 -3.462 12.044 1.00 1.55 H new ATOM 0 HG3 MET A 1 -7.939 -1.989 11.195 1.00 1.55 H new ATOM 0 HE1 MET A 1 -9.471 -6.246 10.561 1.00 2.89 H new ATOM 0 HE2 MET A 1 -7.734 -5.881 10.687 1.00 2.89 H new ATOM 0 HE3 MET A 1 -8.828 -5.475 12.030 1.00 2.89 H new ATOM 20 N VAL A 2 -4.203 -1.910 8.877 1.00 0.24 N ATOM 21 CA VAL A 2 -2.859 -1.759 8.235 1.00 0.19 C ATOM 22 C VAL A 2 -2.055 -3.050 8.417 1.00 0.22 C ATOM 23 O VAL A 2 -2.363 -3.872 9.256 1.00 0.28 O ATOM 24 CB VAL A 2 -2.116 -0.596 8.900 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.689 -0.513 8.355 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.848 0.714 8.601 1.00 0.30 C ATOM 0 H VAL A 2 -4.232 -1.697 9.874 1.00 0.24 H new ATOM 0 HA VAL A 2 -2.981 -1.559 7.170 1.00 0.19 H new ATOM 0 HB VAL A 2 -2.083 -0.761 9.977 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.165 0.316 8.831 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.164 -1.444 8.567 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.720 -0.351 7.277 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.320 1.542 9.074 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.882 0.874 7.523 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.864 0.661 8.993 1.00 0.30 H new ATOM 36 N LYS A 3 -1.022 -3.233 7.635 1.00 0.18 N ATOM 37 CA LYS A 3 -0.192 -4.467 7.758 1.00 0.22 C ATOM 38 C LYS A 3 1.211 -4.187 7.214 1.00 0.16 C ATOM 39 O LYS A 3 1.379 -3.785 6.081 1.00 0.13 O ATOM 40 CB LYS A 3 -0.835 -5.604 6.956 1.00 0.26 C ATOM 41 CG LYS A 3 -0.215 -6.941 7.369 1.00 0.34 C ATOM 42 CD LYS A 3 -0.986 -8.092 6.712 1.00 0.81 C ATOM 43 CE LYS A 3 -0.303 -9.439 7.019 1.00 1.37 C ATOM 44 NZ LYS A 3 -1.343 -10.494 7.174 1.00 1.97 N ATOM 0 H LYS A 3 -0.717 -2.578 6.915 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.128 -4.759 8.806 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.911 -5.622 7.130 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.688 -5.438 5.889 1.00 0.26 H new ATOM 0 HG2 LYS A 3 0.833 -6.975 7.070 1.00 0.34 H new ATOM 0 HG3 LYS A 3 -0.241 -7.045 8.454 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -2.013 -8.106 7.077 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -1.033 -7.938 5.634 1.00 0.81 H new ATOM 0 HE2 LYS A 3 0.383 -9.704 6.214 1.00 1.37 H new ATOM 0 HE3 LYS A 3 0.290 -9.360 7.930 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 -0.886 -11.405 7.381 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 -1.980 -10.241 7.956 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -1.890 -10.574 6.293 1.00 1.97 H new ATOM 58 N GLN A 4 2.221 -4.395 8.017 1.00 0.18 N ATOM 59 CA GLN A 4 3.617 -4.140 7.553 1.00 0.15 C ATOM 60 C GLN A 4 4.195 -5.416 6.934 1.00 0.13 C ATOM 61 O GLN A 4 4.107 -6.490 7.496 1.00 0.14 O ATOM 62 CB GLN A 4 4.472 -3.710 8.752 1.00 0.20 C ATOM 63 CG GLN A 4 5.957 -3.703 8.363 1.00 0.21 C ATOM 64 CD GLN A 4 6.759 -2.909 9.396 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.301 -2.689 10.500 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.947 -2.470 9.083 1.00 0.98 N ATOM 0 H GLN A 4 2.139 -4.731 8.977 1.00 0.18 H new ATOM 0 HA GLN A 4 3.617 -3.350 6.802 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.171 -2.717 9.087 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.310 -4.391 9.588 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.332 -4.725 8.305 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.081 -3.261 7.374 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.331 -2.655 8.156 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.492 -1.942 9.765 1.00 0.98 H new ATOM 75 N ILE A 5 4.795 -5.293 5.779 1.00 0.10 N ATOM 76 CA ILE A 5 5.407 -6.472 5.090 1.00 0.10 C ATOM 77 C ILE A 5 6.929 -6.292 5.075 1.00 0.10 C ATOM 78 O ILE A 5 7.456 -5.516 4.303 1.00 0.11 O ATOM 79 CB ILE A 5 4.909 -6.528 3.645 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.389 -6.242 3.581 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.255 -7.887 3.022 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.571 -7.222 4.441 1.00 0.19 C ATOM 0 H ILE A 5 4.889 -4.411 5.275 1.00 0.10 H new ATOM 0 HA ILE A 5 5.134 -7.389 5.612 1.00 0.10 H new ATOM 0 HB ILE A 5 5.411 -5.754 3.065 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.199 -5.223 3.917 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.054 -6.304 2.546 1.00 0.12 H new ATOM 0 HG21 ILE A 5 4.896 -7.917 1.993 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.336 -8.028 3.034 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.779 -8.682 3.596 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.511 -6.979 4.362 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.737 -8.240 4.089 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.885 -7.142 5.482 1.00 0.19 H new ATOM 94 N GLU A 6 7.637 -6.990 5.921 1.00 0.11 N ATOM 95 CA GLU A 6 9.126 -6.847 5.952 1.00 0.14 C ATOM 96 C GLU A 6 9.776 -7.996 5.171 1.00 0.14 C ATOM 97 O GLU A 6 10.979 -8.039 5.007 1.00 0.17 O ATOM 98 CB GLU A 6 9.601 -6.899 7.403 1.00 0.18 C ATOM 99 CG GLU A 6 8.689 -6.040 8.271 1.00 0.31 C ATOM 100 CD GLU A 6 9.292 -5.904 9.670 1.00 1.20 C ATOM 101 OE1 GLU A 6 10.222 -5.130 9.823 1.00 1.96 O ATOM 102 OE2 GLU A 6 8.812 -6.580 10.566 1.00 1.97 O ATOM 0 H GLU A 6 7.251 -7.654 6.593 1.00 0.11 H new ATOM 0 HA GLU A 6 9.408 -5.897 5.498 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.596 -7.929 7.761 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.628 -6.542 7.473 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.563 -5.055 7.821 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.699 -6.491 8.333 1.00 0.31 H new ATOM 109 N SER A 7 8.995 -8.933 4.697 1.00 0.13 N ATOM 110 CA SER A 7 9.582 -10.080 3.938 1.00 0.15 C ATOM 111 C SER A 7 8.567 -10.609 2.924 1.00 0.14 C ATOM 112 O SER A 7 7.371 -10.555 3.137 1.00 0.12 O ATOM 113 CB SER A 7 9.955 -11.193 4.916 1.00 0.20 C ATOM 114 OG SER A 7 8.888 -11.390 5.835 1.00 0.23 O ATOM 0 H SER A 7 7.981 -8.954 4.802 1.00 0.13 H new ATOM 0 HA SER A 7 10.472 -9.743 3.407 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.158 -12.116 4.373 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.868 -10.931 5.452 1.00 0.20 H new ATOM 0 HG SER A 7 9.124 -12.105 6.462 1.00 0.23 H new ATOM 120 N LYS A 8 9.037 -11.121 1.819 1.00 0.15 N ATOM 121 CA LYS A 8 8.106 -11.655 0.788 1.00 0.14 C ATOM 122 C LYS A 8 7.139 -12.652 1.437 1.00 0.14 C ATOM 123 O LYS A 8 6.046 -12.876 0.961 1.00 0.13 O ATOM 124 CB LYS A 8 8.910 -12.356 -0.314 1.00 0.17 C ATOM 125 CG LYS A 8 8.039 -12.521 -1.564 1.00 0.21 C ATOM 126 CD LYS A 8 8.777 -13.378 -2.595 1.00 0.22 C ATOM 127 CE LYS A 8 7.957 -13.438 -3.885 1.00 1.06 C ATOM 128 NZ LYS A 8 8.792 -14.011 -4.980 1.00 1.90 N ATOM 0 H LYS A 8 10.028 -11.192 1.587 1.00 0.15 H new ATOM 0 HA LYS A 8 7.537 -10.834 0.352 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.800 -11.775 -0.554 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.250 -13.331 0.035 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.091 -12.989 -1.299 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.805 -11.544 -1.988 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.762 -12.957 -2.796 1.00 0.22 H new ATOM 0 HD3 LYS A 8 8.934 -14.383 -2.204 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.067 -14.049 -3.734 1.00 1.06 H new ATOM 0 HE3 LYS A 8 7.616 -12.439 -4.158 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 8.234 -14.052 -5.857 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 9.628 -13.411 -5.129 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 9.096 -14.970 -4.719 1.00 1.90 H new ATOM 142 N THR A 9 7.533 -13.261 2.519 1.00 0.16 N ATOM 143 CA THR A 9 6.630 -14.241 3.185 1.00 0.18 C ATOM 144 C THR A 9 5.333 -13.539 3.593 1.00 0.16 C ATOM 145 O THR A 9 4.246 -14.013 3.323 1.00 0.17 O ATOM 146 CB THR A 9 7.321 -14.803 4.421 1.00 0.21 C ATOM 147 OG1 THR A 9 8.512 -15.473 4.031 1.00 0.24 O ATOM 148 CG2 THR A 9 6.391 -15.784 5.133 1.00 0.25 C ATOM 0 H THR A 9 8.437 -13.124 2.970 1.00 0.16 H new ATOM 0 HA THR A 9 6.399 -15.055 2.498 1.00 0.18 H new ATOM 0 HB THR A 9 7.567 -13.987 5.100 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.959 -15.834 4.825 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.890 -16.183 6.016 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.479 -15.268 5.434 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.139 -16.602 4.458 1.00 0.25 H new ATOM 156 N ALA A 10 5.440 -12.411 4.236 1.00 0.16 N ATOM 157 CA ALA A 10 4.221 -11.667 4.663 1.00 0.17 C ATOM 158 C ALA A 10 3.523 -11.071 3.437 1.00 0.15 C ATOM 159 O ALA A 10 2.342 -10.791 3.460 1.00 0.17 O ATOM 160 CB ALA A 10 4.622 -10.543 5.621 1.00 0.20 C ATOM 0 H ALA A 10 6.324 -11.969 4.486 1.00 0.16 H new ATOM 0 HA ALA A 10 3.538 -12.350 5.167 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.732 -9.997 5.935 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.114 -10.969 6.496 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.306 -9.861 5.116 1.00 0.20 H new ATOM 166 N PHE A 11 4.247 -10.863 2.370 1.00 0.12 N ATOM 167 CA PHE A 11 3.625 -10.272 1.150 1.00 0.11 C ATOM 168 C PHE A 11 2.469 -11.147 0.671 1.00 0.13 C ATOM 169 O PHE A 11 1.328 -10.740 0.701 1.00 0.16 O ATOM 170 CB PHE A 11 4.674 -10.155 0.040 1.00 0.10 C ATOM 171 CG PHE A 11 4.038 -9.579 -1.205 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.632 -8.232 -1.227 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.857 -10.388 -2.346 1.00 0.14 C ATOM 174 CE1 PHE A 11 3.043 -7.691 -2.386 1.00 0.20 C ATOM 175 CE2 PHE A 11 3.267 -9.848 -3.505 1.00 0.18 C ATOM 176 CZ PHE A 11 2.861 -8.500 -3.526 1.00 0.21 C ATOM 0 H PHE A 11 5.241 -11.077 2.290 1.00 0.12 H new ATOM 0 HA PHE A 11 3.242 -9.281 1.395 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.495 -9.518 0.368 1.00 0.10 H new ATOM 0 HB3 PHE A 11 5.098 -11.135 -0.177 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.772 -7.612 -0.354 1.00 0.16 H new ATOM 0 HD2 PHE A 11 4.171 -11.421 -2.331 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.731 -6.657 -2.402 1.00 0.20 H new ATOM 0 HE2 PHE A 11 3.126 -10.468 -4.378 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.410 -8.086 -4.416 1.00 0.21 H new ATOM 186 N GLN A 12 2.746 -12.340 0.224 1.00 0.15 N ATOM 187 CA GLN A 12 1.645 -13.218 -0.263 1.00 0.19 C ATOM 188 C GLN A 12 0.600 -13.392 0.839 1.00 0.17 C ATOM 189 O GLN A 12 -0.588 -13.315 0.598 1.00 0.16 O ATOM 190 CB GLN A 12 2.210 -14.586 -0.647 1.00 0.24 C ATOM 191 CG GLN A 12 3.395 -14.401 -1.597 1.00 1.21 C ATOM 192 CD GLN A 12 3.890 -15.771 -2.067 1.00 1.77 C ATOM 193 OE1 GLN A 12 3.872 -16.777 -1.237 1.00 2.35 O flip ATOM 194 NE2 GLN A 12 4.296 -15.926 -3.202 1.00 2.47 N flip ATOM 0 H GLN A 12 3.681 -12.744 0.175 1.00 0.15 H new ATOM 0 HA GLN A 12 1.180 -12.759 -1.135 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.527 -15.124 0.246 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.438 -15.189 -1.125 1.00 0.24 H new ATOM 0 HG2 GLN A 12 3.097 -13.796 -2.454 1.00 1.21 H new ATOM 0 HG3 GLN A 12 4.199 -13.865 -1.093 1.00 1.21 H new ATOM 0 HE21 GLN A 12 4.310 -15.139 -3.851 1.00 2.47 H new ATOM 0 HE22 GLN A 12 4.623 -16.843 -3.506 1.00 2.47 H new ATOM 203 N GLU A 13 1.030 -13.631 2.045 1.00 0.19 N ATOM 204 CA GLU A 13 0.058 -13.813 3.155 1.00 0.20 C ATOM 205 C GLU A 13 -0.809 -12.561 3.295 1.00 0.18 C ATOM 206 O GLU A 13 -1.975 -12.644 3.615 1.00 0.19 O ATOM 207 CB GLU A 13 0.825 -14.066 4.459 1.00 0.25 C ATOM 208 CG GLU A 13 1.285 -15.525 4.523 1.00 0.30 C ATOM 209 CD GLU A 13 2.104 -15.745 5.798 1.00 1.29 C ATOM 210 OE1 GLU A 13 2.028 -14.905 6.680 1.00 2.10 O ATOM 211 OE2 GLU A 13 2.792 -16.750 5.870 1.00 2.03 O ATOM 0 H GLU A 13 2.012 -13.708 2.309 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.587 -14.665 2.941 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.687 -13.402 4.518 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.189 -13.839 5.314 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.422 -16.191 4.513 1.00 0.30 H new ATOM 0 HG3 GLU A 13 1.885 -15.767 3.646 1.00 0.30 H new ATOM 218 N ALA A 14 -0.259 -11.402 3.061 1.00 0.18 N ATOM 219 CA ALA A 14 -1.079 -10.164 3.184 1.00 0.18 C ATOM 220 C ALA A 14 -2.239 -10.236 2.186 1.00 0.18 C ATOM 221 O ALA A 14 -3.384 -10.009 2.522 1.00 0.19 O ATOM 222 CB ALA A 14 -0.211 -8.946 2.877 1.00 0.20 C ATOM 0 H ALA A 14 0.714 -11.258 2.792 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.471 -10.077 4.197 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.810 -8.040 2.967 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.619 -8.903 3.582 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.179 -9.024 1.862 1.00 0.20 H new ATOM 228 N LEU A 15 -1.939 -10.562 0.959 1.00 0.17 N ATOM 229 CA LEU A 15 -3.004 -10.668 -0.083 1.00 0.18 C ATOM 230 C LEU A 15 -3.961 -11.804 0.285 1.00 0.18 C ATOM 231 O LEU A 15 -5.164 -11.673 0.185 1.00 0.18 O ATOM 232 CB LEU A 15 -2.353 -10.958 -1.444 1.00 0.19 C ATOM 233 CG LEU A 15 -1.079 -10.119 -1.597 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.501 -10.324 -3.000 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.408 -8.636 -1.389 1.00 0.62 C ATOM 0 H LEU A 15 -0.995 -10.761 0.629 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.560 -9.732 -0.140 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.114 -12.018 -1.525 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.051 -10.727 -2.249 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.348 -10.432 -0.852 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.405 -9.728 -3.111 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.262 -11.378 -3.145 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.234 -10.012 -3.744 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.500 -8.043 -1.499 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.141 -8.318 -2.131 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.818 -8.491 -0.389 1.00 0.62 H new ATOM 247 N ASP A 16 -3.433 -12.918 0.711 1.00 0.19 N ATOM 248 CA ASP A 16 -4.308 -14.065 1.086 1.00 0.21 C ATOM 249 C ASP A 16 -5.164 -13.686 2.297 1.00 0.20 C ATOM 250 O ASP A 16 -6.318 -14.055 2.394 1.00 0.20 O ATOM 251 CB ASP A 16 -3.437 -15.274 1.436 1.00 0.24 C ATOM 252 CG ASP A 16 -4.331 -16.468 1.769 1.00 0.28 C ATOM 253 OD1 ASP A 16 -4.743 -16.574 2.913 1.00 1.09 O ATOM 254 OD2 ASP A 16 -4.590 -17.257 0.876 1.00 1.07 O ATOM 0 H ASP A 16 -2.432 -13.084 0.816 1.00 0.19 H new ATOM 0 HA ASP A 16 -4.959 -14.313 0.248 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.783 -15.518 0.599 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.795 -15.039 2.285 1.00 0.24 H new ATOM 259 N ALA A 17 -4.606 -12.959 3.226 1.00 0.22 N ATOM 260 CA ALA A 17 -5.382 -12.560 4.435 1.00 0.24 C ATOM 261 C ALA A 17 -6.277 -11.364 4.108 1.00 0.21 C ATOM 262 O ALA A 17 -7.192 -11.044 4.839 1.00 0.22 O ATOM 263 CB ALA A 17 -4.413 -12.177 5.556 1.00 0.30 C ATOM 0 H ALA A 17 -3.643 -12.623 3.200 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.004 -13.396 4.755 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -4.978 -11.885 6.441 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.778 -13.030 5.796 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.792 -11.343 5.231 1.00 0.30 H new ATOM 269 N ALA A 18 -6.016 -10.693 3.020 1.00 0.21 N ATOM 270 CA ALA A 18 -6.851 -9.514 2.656 1.00 0.22 C ATOM 271 C ALA A 18 -8.257 -9.973 2.264 1.00 0.21 C ATOM 272 O ALA A 18 -9.153 -9.172 2.090 1.00 0.24 O ATOM 273 CB ALA A 18 -6.205 -8.777 1.481 1.00 0.23 C ATOM 0 H ALA A 18 -5.262 -10.910 2.368 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.921 -8.844 3.513 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.815 -7.914 1.213 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.207 -8.442 1.766 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.132 -9.449 0.626 1.00 0.23 H new ATOM 279 N GLY A 19 -8.462 -11.254 2.121 1.00 0.22 N ATOM 280 CA GLY A 19 -9.814 -11.751 1.736 1.00 0.24 C ATOM 281 C GLY A 19 -10.105 -11.355 0.286 1.00 0.20 C ATOM 282 O GLY A 19 -9.471 -11.834 -0.633 1.00 0.28 O ATOM 0 H GLY A 19 -7.754 -11.976 2.254 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.860 -12.834 1.845 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.571 -11.331 2.399 1.00 0.24 H new ATOM 286 N ASP A 20 -11.059 -10.481 0.076 1.00 0.13 N ATOM 287 CA ASP A 20 -11.403 -10.041 -1.314 1.00 0.18 C ATOM 288 C ASP A 20 -11.558 -8.519 -1.339 1.00 0.15 C ATOM 289 O ASP A 20 -11.870 -7.936 -2.359 1.00 0.22 O ATOM 290 CB ASP A 20 -12.721 -10.696 -1.741 1.00 0.26 C ATOM 291 CG ASP A 20 -13.124 -10.185 -3.126 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.277 -10.180 -4.003 1.00 2.19 O ATOM 293 OD2 ASP A 20 -14.274 -9.811 -3.285 1.00 2.21 O ATOM 0 H ASP A 20 -11.618 -10.050 0.812 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.610 -10.338 -2.000 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -12.610 -11.780 -1.760 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -13.503 -10.468 -1.017 1.00 0.26 H new ATOM 298 N LYS A 21 -11.330 -7.864 -0.231 1.00 0.12 N ATOM 299 CA LYS A 21 -11.451 -6.382 -0.206 1.00 0.19 C ATOM 300 C LYS A 21 -10.299 -5.784 -1.007 1.00 0.15 C ATOM 301 O LYS A 21 -9.353 -6.465 -1.349 1.00 0.15 O ATOM 302 CB LYS A 21 -11.385 -5.893 1.242 1.00 0.27 C ATOM 303 CG LYS A 21 -12.749 -6.078 1.908 1.00 0.29 C ATOM 304 CD LYS A 21 -12.606 -5.878 3.416 1.00 0.30 C ATOM 305 CE LYS A 21 -13.986 -5.669 4.038 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.844 -5.450 5.506 1.00 1.90 N ATOM 0 H LYS A 21 -11.066 -8.293 0.656 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.401 -6.074 -0.643 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.623 -6.448 1.790 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.095 -4.843 1.269 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.465 -5.364 1.501 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.137 -7.074 1.697 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -12.122 -6.746 3.864 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.970 -5.017 3.620 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.478 -4.812 3.578 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.617 -6.538 3.849 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.773 -5.224 5.915 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.470 -6.312 5.951 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.189 -4.660 5.677 1.00 1.90 H new ATOM 320 N LEU A 22 -10.368 -4.524 -1.324 1.00 0.13 N ATOM 321 CA LEU A 22 -9.273 -3.915 -2.116 1.00 0.11 C ATOM 322 C LEU A 22 -7.973 -3.974 -1.294 1.00 0.10 C ATOM 323 O LEU A 22 -7.999 -4.180 -0.095 1.00 0.11 O ATOM 324 CB LEU A 22 -9.646 -2.450 -2.445 1.00 0.12 C ATOM 325 CG LEU A 22 -9.335 -2.091 -3.914 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.644 -0.590 -4.146 1.00 0.17 C ATOM 327 CD2 LEU A 22 -7.856 -2.382 -4.242 1.00 0.11 C ATOM 0 H LEU A 22 -11.130 -3.895 -1.070 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.125 -4.458 -3.050 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.707 -2.293 -2.250 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.098 -1.779 -1.784 1.00 0.12 H new ATOM 0 HG LEU A 22 -9.956 -2.700 -4.570 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.426 -0.330 -5.182 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.697 -0.399 -3.937 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.027 0.015 -3.482 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.656 -2.123 -5.282 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.215 -1.788 -3.590 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.650 -3.441 -4.086 1.00 0.11 H new ATOM 339 N VAL A 23 -6.841 -3.798 -1.925 1.00 0.08 N ATOM 340 CA VAL A 23 -5.548 -3.844 -1.181 1.00 0.09 C ATOM 341 C VAL A 23 -4.573 -2.830 -1.791 1.00 0.08 C ATOM 342 O VAL A 23 -4.044 -3.043 -2.861 1.00 0.09 O ATOM 343 CB VAL A 23 -4.955 -5.252 -1.297 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.891 -5.458 -0.216 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.072 -6.285 -1.119 1.00 0.10 C ATOM 0 H VAL A 23 -6.757 -3.624 -2.926 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.717 -3.599 -0.132 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.495 -5.372 -2.278 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.473 -6.461 -0.303 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.097 -4.722 -0.342 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.344 -5.338 0.768 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.656 -7.289 -1.201 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.530 -6.161 -0.138 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.827 -6.141 -1.892 1.00 0.10 H new ATOM 355 N VAL A 24 -4.321 -1.739 -1.108 1.00 0.08 N ATOM 356 CA VAL A 24 -3.365 -0.713 -1.635 1.00 0.08 C ATOM 357 C VAL A 24 -2.035 -0.863 -0.897 1.00 0.08 C ATOM 358 O VAL A 24 -1.997 -1.034 0.305 1.00 0.08 O ATOM 359 CB VAL A 24 -3.935 0.690 -1.403 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.215 1.699 -2.302 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.428 0.693 -1.730 1.00 0.09 C ATOM 0 H VAL A 24 -4.738 -1.514 -0.205 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.213 -0.857 -2.705 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.788 0.969 -0.360 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.625 2.695 -2.132 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.150 1.700 -2.068 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.357 1.421 -3.347 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.835 1.691 -1.565 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.573 0.410 -2.773 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -5.943 -0.020 -1.086 1.00 0.09 H new ATOM 371 N VAL A 25 -0.945 -0.823 -1.619 1.00 0.09 N ATOM 372 CA VAL A 25 0.405 -0.986 -0.994 1.00 0.09 C ATOM 373 C VAL A 25 1.177 0.324 -1.079 1.00 0.10 C ATOM 374 O VAL A 25 1.241 0.948 -2.115 1.00 0.17 O ATOM 375 CB VAL A 25 1.186 -2.065 -1.753 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.377 -2.528 -0.910 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.275 -3.258 -2.041 1.00 0.09 C ATOM 0 H VAL A 25 -0.932 -0.682 -2.629 1.00 0.09 H new ATOM 0 HA VAL A 25 0.282 -1.272 0.051 1.00 0.09 H new ATOM 0 HB VAL A 25 1.545 -1.649 -2.694 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.930 -3.295 -1.452 1.00 0.12 H new ATOM 0 HG12 VAL A 25 3.033 -1.681 -0.710 1.00 0.12 H new ATOM 0 HG13 VAL A 25 2.017 -2.939 0.033 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.835 -4.022 -2.581 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.090 -3.672 -1.101 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.570 -2.932 -2.647 1.00 0.09 H new ATOM 387 N ASP A 26 1.782 0.730 0.005 1.00 0.08 N ATOM 388 CA ASP A 26 2.576 1.993 0.008 1.00 0.08 C ATOM 389 C ASP A 26 4.067 1.644 0.038 1.00 0.08 C ATOM 390 O ASP A 26 4.612 1.299 1.067 1.00 0.09 O ATOM 391 CB ASP A 26 2.215 2.815 1.251 1.00 0.09 C ATOM 392 CG ASP A 26 3.186 3.990 1.398 1.00 0.09 C ATOM 393 OD1 ASP A 26 2.930 5.023 0.803 1.00 0.93 O ATOM 394 OD2 ASP A 26 4.171 3.832 2.101 1.00 0.96 O ATOM 0 H ASP A 26 1.760 0.236 0.897 1.00 0.08 H new ATOM 0 HA ASP A 26 2.354 2.575 -0.887 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.193 3.185 1.169 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.256 2.185 2.139 1.00 0.09 H new ATOM 399 N PHE A 27 4.733 1.749 -1.078 1.00 0.08 N ATOM 400 CA PHE A 27 6.191 1.443 -1.108 1.00 0.09 C ATOM 401 C PHE A 27 6.940 2.730 -0.770 1.00 0.11 C ATOM 402 O PHE A 27 7.428 3.419 -1.647 1.00 0.13 O ATOM 403 CB PHE A 27 6.588 1.002 -2.515 1.00 0.10 C ATOM 404 CG PHE A 27 6.180 -0.436 -2.765 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.865 -0.750 -3.162 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.130 -1.464 -2.620 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.502 -2.090 -3.410 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.767 -2.802 -2.870 1.00 0.21 C ATOM 409 CZ PHE A 27 5.454 -3.114 -3.264 1.00 0.23 C ATOM 0 H PHE A 27 4.331 2.034 -1.971 1.00 0.08 H new ATOM 0 HA PHE A 27 6.429 0.651 -0.398 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.115 1.652 -3.251 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.665 1.106 -2.643 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.134 0.037 -3.277 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.139 -1.227 -2.317 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.493 -2.329 -3.712 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.498 -3.589 -2.759 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.177 -4.140 -3.454 1.00 0.23 H new ATOM 419 N SER A 28 7.013 3.065 0.493 1.00 0.11 N ATOM 420 CA SER A 28 7.712 4.318 0.920 1.00 0.12 C ATOM 421 C SER A 28 8.962 3.960 1.722 1.00 0.10 C ATOM 422 O SER A 28 9.008 2.953 2.401 1.00 0.11 O ATOM 423 CB SER A 28 6.771 5.146 1.795 1.00 0.17 C ATOM 424 OG SER A 28 5.626 5.509 1.036 1.00 1.03 O ATOM 0 H SER A 28 6.614 2.518 1.256 1.00 0.11 H new ATOM 0 HA SER A 28 7.999 4.893 0.039 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.473 4.573 2.673 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.282 6.039 2.155 1.00 0.17 H new ATOM 0 HG SER A 28 4.823 5.413 1.589 1.00 1.03 H new ATOM 430 N ALA A 29 9.975 4.779 1.654 1.00 0.10 N ATOM 431 CA ALA A 29 11.226 4.496 2.418 1.00 0.15 C ATOM 432 C ALA A 29 11.143 5.181 3.787 1.00 0.18 C ATOM 433 O ALA A 29 10.838 6.352 3.889 1.00 0.26 O ATOM 434 CB ALA A 29 12.426 5.030 1.622 1.00 0.19 C ATOM 0 H ALA A 29 9.992 5.636 1.101 1.00 0.10 H new ATOM 0 HA ALA A 29 11.347 3.423 2.567 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.346 4.829 2.171 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.467 4.536 0.651 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.318 6.105 1.478 1.00 0.19 H new ATOM 440 N THR A 30 11.403 4.452 4.837 1.00 0.18 N ATOM 441 CA THR A 30 11.333 5.052 6.201 1.00 0.23 C ATOM 442 C THR A 30 12.447 6.086 6.379 1.00 0.26 C ATOM 443 O THR A 30 12.352 6.976 7.202 1.00 0.31 O ATOM 444 CB THR A 30 11.494 3.946 7.248 1.00 0.26 C ATOM 445 OG1 THR A 30 11.527 4.528 8.544 1.00 0.32 O ATOM 446 CG2 THR A 30 12.797 3.184 6.995 1.00 0.28 C ATOM 0 H THR A 30 11.661 3.466 4.810 1.00 0.18 H new ATOM 0 HA THR A 30 10.368 5.544 6.326 1.00 0.23 H new ATOM 0 HB THR A 30 10.654 3.254 7.179 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.628 3.823 9.217 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.909 2.398 7.741 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.771 2.739 6.000 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.640 3.872 7.063 1.00 0.28 H new ATOM 454 N TRP A 31 13.511 5.972 5.629 1.00 0.26 N ATOM 455 CA TRP A 31 14.639 6.944 5.769 1.00 0.32 C ATOM 456 C TRP A 31 14.419 8.145 4.845 1.00 0.32 C ATOM 457 O TRP A 31 15.041 9.177 4.996 1.00 0.36 O ATOM 458 CB TRP A 31 15.954 6.247 5.392 1.00 0.34 C ATOM 459 CG TRP A 31 15.963 5.939 3.928 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.629 4.748 3.380 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.313 6.818 2.822 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.753 4.839 2.004 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.165 6.095 1.608 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.740 8.163 2.752 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.427 6.689 0.365 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.004 8.766 1.506 1.00 0.44 C ATOM 467 CH2 TRP A 31 16.848 8.031 0.313 1.00 0.40 C ATOM 0 H TRP A 31 13.649 5.248 4.924 1.00 0.26 H new ATOM 0 HA TRP A 31 14.684 7.294 6.800 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.800 6.886 5.644 1.00 0.34 H new ATOM 0 HB3 TRP A 31 16.067 5.328 5.967 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.317 3.870 3.926 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.563 4.071 1.361 1.00 0.25 H new ATOM 0 HE3 TRP A 31 16.865 8.733 3.661 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.307 6.121 -0.546 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.327 9.796 1.465 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.051 8.497 -0.640 1.00 0.40 H new ATOM 478 N CYS A 32 13.552 8.015 3.880 1.00 0.28 N ATOM 479 CA CYS A 32 13.314 9.138 2.927 1.00 0.30 C ATOM 480 C CYS A 32 12.139 9.999 3.403 1.00 0.31 C ATOM 481 O CYS A 32 11.045 9.519 3.632 1.00 0.29 O ATOM 482 CB CYS A 32 13.021 8.539 1.545 1.00 0.28 C ATOM 483 SG CYS A 32 13.558 9.680 0.244 1.00 0.32 S ATOM 0 H CYS A 32 12.996 7.177 3.709 1.00 0.28 H new ATOM 0 HA CYS A 32 14.194 9.779 2.873 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.536 7.584 1.437 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.954 8.339 1.446 1.00 0.28 H new ATOM 488 N GLY A 33 12.375 11.271 3.553 1.00 0.34 N ATOM 489 CA GLY A 33 11.306 12.197 4.008 1.00 0.36 C ATOM 490 C GLY A 33 10.173 12.281 2.972 1.00 0.35 C ATOM 491 O GLY A 33 9.042 12.017 3.307 1.00 0.33 O ATOM 0 H GLY A 33 13.277 11.713 3.377 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.906 11.856 4.963 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.726 13.189 4.175 1.00 0.36 H new ATOM 495 N PRO A 34 10.495 12.665 1.747 1.00 0.37 N ATOM 496 CA PRO A 34 9.477 12.820 0.682 1.00 0.38 C ATOM 497 C PRO A 34 8.522 11.620 0.643 1.00 0.35 C ATOM 498 O PRO A 34 7.342 11.765 0.389 1.00 0.36 O ATOM 499 CB PRO A 34 10.300 12.953 -0.623 1.00 0.42 C ATOM 500 CG PRO A 34 11.774 13.227 -0.203 1.00 0.44 C ATOM 501 CD PRO A 34 11.880 12.955 1.316 1.00 0.40 C ATOM 0 HA PRO A 34 8.833 13.685 0.843 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.231 12.042 -1.217 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.917 13.766 -1.240 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.457 12.583 -0.757 1.00 0.44 H new ATOM 0 HG3 PRO A 34 12.053 14.256 -0.429 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.542 12.114 1.522 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.286 13.817 1.845 1.00 0.40 H new ATOM 509 N ALA A 35 9.005 10.442 0.896 1.00 0.33 N ATOM 510 CA ALA A 35 8.099 9.264 0.868 1.00 0.32 C ATOM 511 C ALA A 35 7.267 9.244 2.155 1.00 0.39 C ATOM 512 O ALA A 35 6.053 9.313 2.126 1.00 0.81 O ATOM 513 CB ALA A 35 8.936 7.986 0.758 1.00 0.36 C ATOM 0 H ALA A 35 9.980 10.242 1.120 1.00 0.33 H new ATOM 0 HA ALA A 35 7.430 9.324 0.010 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.276 7.119 0.737 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.526 8.015 -0.158 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.603 7.913 1.617 1.00 0.36 H new ATOM 519 N LYS A 36 7.916 9.159 3.279 1.00 0.30 N ATOM 520 CA LYS A 36 7.189 9.142 4.581 1.00 0.28 C ATOM 521 C LYS A 36 6.373 10.428 4.743 1.00 0.24 C ATOM 522 O LYS A 36 5.470 10.505 5.554 1.00 0.25 O ATOM 523 CB LYS A 36 8.214 9.042 5.713 1.00 0.35 C ATOM 524 CG LYS A 36 7.505 9.106 7.069 1.00 0.38 C ATOM 525 CD LYS A 36 8.502 8.757 8.178 1.00 0.49 C ATOM 526 CE LYS A 36 7.856 8.986 9.547 1.00 1.22 C ATOM 527 NZ LYS A 36 6.880 7.894 9.828 1.00 1.92 N ATOM 0 H LYS A 36 8.931 9.100 3.355 1.00 0.30 H new ATOM 0 HA LYS A 36 6.511 8.289 4.611 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.771 8.109 5.629 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.937 9.854 5.633 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.096 10.103 7.232 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.666 8.411 7.087 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.816 7.718 8.083 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.397 9.371 8.081 1.00 0.49 H new ATOM 0 HE2 LYS A 36 8.622 9.011 10.322 1.00 1.22 H new ATOM 0 HE3 LYS A 36 7.352 9.952 9.565 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 6.072 8.278 10.359 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 6.544 7.490 8.931 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 7.342 7.151 10.391 1.00 1.92 H new ATOM 541 N MET A 37 6.694 11.444 3.990 1.00 0.23 N ATOM 542 CA MET A 37 5.952 12.734 4.110 1.00 0.24 C ATOM 543 C MET A 37 4.467 12.518 3.810 1.00 0.20 C ATOM 544 O MET A 37 3.626 13.278 4.249 1.00 0.20 O ATOM 545 CB MET A 37 6.532 13.752 3.116 1.00 0.29 C ATOM 546 CG MET A 37 5.984 15.148 3.412 1.00 1.31 C ATOM 547 SD MET A 37 6.765 15.797 4.910 1.00 2.12 S ATOM 548 CE MET A 37 5.501 17.027 5.310 1.00 3.13 C ATOM 0 H MET A 37 7.440 11.438 3.294 1.00 0.23 H new ATOM 0 HA MET A 37 6.058 13.111 5.127 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.620 13.758 3.184 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.278 13.462 2.097 1.00 0.29 H new ATOM 0 HG2 MET A 37 6.178 15.813 2.570 1.00 1.31 H new ATOM 0 HG3 MET A 37 4.903 15.106 3.542 1.00 1.31 H new ATOM 0 HE1 MET A 37 5.784 17.558 6.219 1.00 3.13 H new ATOM 0 HE2 MET A 37 5.412 17.737 4.488 1.00 3.13 H new ATOM 0 HE3 MET A 37 4.544 16.528 5.464 1.00 3.13 H new ATOM 558 N ILE A 38 4.133 11.501 3.055 1.00 0.18 N ATOM 559 CA ILE A 38 2.695 11.256 2.711 1.00 0.15 C ATOM 560 C ILE A 38 2.070 10.221 3.640 1.00 0.16 C ATOM 561 O ILE A 38 0.943 9.810 3.446 1.00 0.16 O ATOM 562 CB ILE A 38 2.583 10.766 1.268 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.235 11.808 0.344 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.095 10.572 0.898 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.297 11.288 -1.114 1.00 0.28 C ATOM 0 H ILE A 38 4.792 10.829 2.661 1.00 0.18 H new ATOM 0 HA ILE A 38 2.159 12.197 2.830 1.00 0.15 H new ATOM 0 HB ILE A 38 3.093 9.810 1.154 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.667 12.738 0.379 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.241 12.035 0.697 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.019 10.223 -0.132 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.647 9.836 1.565 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.568 11.521 0.999 1.00 0.17 H new ATOM 0 HD11 ILE A 38 3.762 12.042 -1.750 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.885 10.371 -1.149 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.287 11.085 -1.471 1.00 0.28 H new ATOM 577 N LYS A 39 2.764 9.796 4.657 1.00 0.19 N ATOM 578 CA LYS A 39 2.145 8.796 5.558 1.00 0.22 C ATOM 579 C LYS A 39 0.885 9.357 6.251 1.00 0.20 C ATOM 580 O LYS A 39 -0.023 8.595 6.500 1.00 0.21 O ATOM 581 CB LYS A 39 3.159 8.241 6.605 1.00 0.31 C ATOM 582 CG LYS A 39 3.358 9.190 7.816 1.00 0.34 C ATOM 583 CD LYS A 39 3.911 8.425 9.019 1.00 0.45 C ATOM 584 CE LYS A 39 2.840 7.520 9.655 1.00 1.16 C ATOM 585 NZ LYS A 39 3.025 6.136 9.149 1.00 1.62 N ATOM 0 H LYS A 39 3.710 10.091 4.897 1.00 0.19 H new ATOM 0 HA LYS A 39 1.837 7.960 4.931 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.810 7.272 6.963 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.120 8.074 6.119 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.042 9.994 7.545 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.408 9.655 8.080 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.761 7.819 8.706 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.279 9.132 9.763 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.925 7.540 10.741 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.843 7.883 9.407 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.257 5.903 8.488 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.939 6.065 8.657 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.009 5.469 9.947 1.00 1.62 H new ATOM 599 N PRO A 40 0.828 10.646 6.590 1.00 0.20 N ATOM 600 CA PRO A 40 -0.353 11.153 7.305 1.00 0.21 C ATOM 601 C PRO A 40 -1.608 10.996 6.446 1.00 0.17 C ATOM 602 O PRO A 40 -2.703 11.258 6.893 1.00 0.20 O ATOM 603 CB PRO A 40 -0.047 12.633 7.607 1.00 0.24 C ATOM 604 CG PRO A 40 1.381 12.937 7.079 1.00 0.25 C ATOM 605 CD PRO A 40 1.854 11.695 6.299 1.00 0.21 C ATOM 0 HA PRO A 40 -0.548 10.600 8.224 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.779 13.281 7.125 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.108 12.825 8.678 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.374 13.816 6.434 1.00 0.25 H new ATOM 0 HG3 PRO A 40 2.058 13.153 7.905 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.918 11.900 5.230 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.846 11.379 6.623 1.00 0.21 H new ATOM 613 N PHE A 41 -1.455 10.574 5.220 1.00 0.14 N ATOM 614 CA PHE A 41 -2.637 10.391 4.326 1.00 0.14 C ATOM 615 C PHE A 41 -2.857 8.901 4.095 1.00 0.11 C ATOM 616 O PHE A 41 -3.791 8.324 4.597 1.00 0.13 O ATOM 617 CB PHE A 41 -2.374 11.088 2.990 1.00 0.15 C ATOM 618 CG PHE A 41 -2.643 12.566 3.137 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.655 13.411 3.674 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.887 13.092 2.740 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.911 14.791 3.812 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.146 14.468 2.877 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.159 15.320 3.414 1.00 0.27 C ATOM 0 H PHE A 41 -0.556 10.346 4.795 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.524 10.824 4.788 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.343 10.924 2.678 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.013 10.666 2.214 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.703 13.004 3.980 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.643 12.439 2.330 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.154 15.443 4.222 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.100 14.871 2.571 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.357 16.376 3.521 1.00 0.27 H new ATOM 633 N PHE A 42 -1.998 8.278 3.345 1.00 0.10 N ATOM 634 CA PHE A 42 -2.161 6.822 3.071 1.00 0.11 C ATOM 635 C PHE A 42 -2.476 6.059 4.362 1.00 0.11 C ATOM 636 O PHE A 42 -3.486 5.392 4.469 1.00 0.12 O ATOM 637 CB PHE A 42 -0.867 6.285 2.462 1.00 0.13 C ATOM 638 CG PHE A 42 -0.960 4.787 2.315 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.679 4.238 1.242 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.322 3.940 3.245 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.762 2.847 1.093 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.409 2.543 3.097 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.129 1.996 2.020 1.00 0.10 C ATOM 0 H PHE A 42 -1.186 8.713 2.907 1.00 0.10 H new ATOM 0 HA PHE A 42 -2.990 6.681 2.378 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.692 6.746 1.490 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.019 6.546 3.095 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.168 4.887 0.531 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.233 4.363 4.070 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.313 2.426 0.265 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.076 1.892 3.809 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.197 0.924 1.904 1.00 0.10 H new ATOM 653 N HIS A 43 -1.616 6.138 5.333 1.00 0.14 N ATOM 654 CA HIS A 43 -1.862 5.404 6.607 1.00 0.16 C ATOM 655 C HIS A 43 -3.105 5.979 7.305 1.00 0.16 C ATOM 656 O HIS A 43 -3.813 5.275 7.997 1.00 0.18 O ATOM 657 CB HIS A 43 -0.604 5.507 7.500 1.00 0.21 C ATOM 658 CG HIS A 43 -0.967 5.393 8.955 1.00 0.27 C ATOM 659 ND1 HIS A 43 -1.439 6.321 9.847 1.00 0.35 N flip ATOM 660 CD2 HIS A 43 -0.914 4.193 9.644 1.00 0.31 C flip ATOM 661 CE1 HIS A 43 -1.684 5.708 11.073 1.00 0.41 C flip ATOM 662 NE2 HIS A 43 -1.350 4.426 10.895 1.00 0.39 N flip ATOM 0 H HIS A 43 -0.752 6.679 5.303 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.054 4.350 6.407 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.101 4.719 7.234 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.102 6.458 7.320 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -0.583 3.244 9.249 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -2.062 6.169 11.973 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -1.418 3.711 11.620 1.00 0.39 H new ATOM 670 N SER A 44 -3.381 7.240 7.133 1.00 0.20 N ATOM 671 CA SER A 44 -4.583 7.827 7.794 1.00 0.25 C ATOM 672 C SER A 44 -5.851 7.161 7.248 1.00 0.20 C ATOM 673 O SER A 44 -6.775 6.870 7.982 1.00 0.21 O ATOM 674 CB SER A 44 -4.630 9.334 7.529 1.00 0.34 C ATOM 675 OG SER A 44 -3.839 10.002 8.502 1.00 0.97 O ATOM 0 H SER A 44 -2.832 7.888 6.568 1.00 0.20 H new ATOM 0 HA SER A 44 -4.525 7.654 8.869 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.258 9.552 6.528 1.00 0.34 H new ATOM 0 HB3 SER A 44 -5.659 9.691 7.571 1.00 0.34 H new ATOM 0 HG SER A 44 -3.412 10.785 8.095 1.00 0.97 H new ATOM 681 N LEU A 45 -5.910 6.926 5.966 1.00 0.18 N ATOM 682 CA LEU A 45 -7.127 6.290 5.384 1.00 0.18 C ATOM 683 C LEU A 45 -7.457 5.013 6.157 1.00 0.16 C ATOM 684 O LEU A 45 -8.551 4.494 6.071 1.00 0.23 O ATOM 685 CB LEU A 45 -6.881 5.938 3.910 1.00 0.19 C ATOM 686 CG LEU A 45 -6.483 7.189 3.113 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.302 6.814 1.641 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.566 8.276 3.242 1.00 0.50 C ATOM 0 H LEU A 45 -5.171 7.146 5.298 1.00 0.18 H new ATOM 0 HA LEU A 45 -7.960 6.989 5.454 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.094 5.188 3.836 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.781 5.498 3.481 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.547 7.581 3.511 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -6.019 7.700 1.072 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.520 6.060 1.551 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.238 6.415 1.250 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.268 9.156 2.671 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.511 7.895 2.855 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.686 8.547 4.291 1.00 0.50 H new ATOM 700 N SER A 46 -6.527 4.498 6.910 1.00 0.20 N ATOM 701 CA SER A 46 -6.803 3.253 7.680 1.00 0.25 C ATOM 702 C SER A 46 -8.018 3.461 8.591 1.00 0.17 C ATOM 703 O SER A 46 -8.756 2.539 8.873 1.00 0.15 O ATOM 704 CB SER A 46 -5.585 2.897 8.529 1.00 0.36 C ATOM 705 OG SER A 46 -4.474 2.655 7.676 1.00 0.51 O ATOM 0 H SER A 46 -5.590 4.883 7.026 1.00 0.20 H new ATOM 0 HA SER A 46 -7.012 2.441 6.983 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.358 3.709 9.219 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.794 2.014 9.133 1.00 0.36 H new ATOM 0 HG SER A 46 -3.953 3.479 7.575 1.00 0.51 H new ATOM 711 N GLU A 47 -8.227 4.665 9.064 1.00 0.21 N ATOM 712 CA GLU A 47 -9.392 4.926 9.969 1.00 0.21 C ATOM 713 C GLU A 47 -10.578 5.440 9.155 1.00 0.18 C ATOM 714 O GLU A 47 -11.710 5.400 9.594 1.00 0.18 O ATOM 715 CB GLU A 47 -9.000 5.987 11.010 1.00 0.32 C ATOM 716 CG GLU A 47 -7.554 5.756 11.483 1.00 0.39 C ATOM 717 CD GLU A 47 -6.573 6.484 10.559 1.00 1.24 C ATOM 718 OE1 GLU A 47 -6.818 7.642 10.264 1.00 2.00 O ATOM 719 OE2 GLU A 47 -5.595 5.872 10.164 1.00 1.98 O ATOM 0 H GLU A 47 -7.643 5.477 8.864 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.671 3.999 10.469 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.095 6.983 10.578 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -9.680 5.942 11.860 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.436 6.115 12.506 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.333 4.689 11.492 1.00 0.39 H new ATOM 726 N LYS A 48 -10.326 5.939 7.979 1.00 0.18 N ATOM 727 CA LYS A 48 -11.434 6.476 7.142 1.00 0.17 C ATOM 728 C LYS A 48 -11.988 5.367 6.242 1.00 0.15 C ATOM 729 O LYS A 48 -13.106 5.441 5.772 1.00 0.18 O ATOM 730 CB LYS A 48 -10.886 7.619 6.283 1.00 0.21 C ATOM 731 CG LYS A 48 -12.046 8.481 5.762 1.00 0.26 C ATOM 732 CD LYS A 48 -11.582 9.321 4.568 1.00 1.09 C ATOM 733 CE LYS A 48 -12.778 10.069 3.972 1.00 1.51 C ATOM 734 NZ LYS A 48 -13.805 9.088 3.518 1.00 2.16 N ATOM 0 H LYS A 48 -9.398 5.999 7.560 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.239 6.843 7.779 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.201 8.231 6.870 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.316 7.216 5.446 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.879 7.843 5.466 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.410 9.133 6.556 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -10.817 10.030 4.884 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -11.128 8.679 3.813 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -13.206 10.742 4.715 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -12.453 10.685 3.134 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -14.428 9.537 2.816 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -13.334 8.266 3.088 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -14.371 8.775 4.333 1.00 2.16 H new ATOM 748 N TYR A 49 -11.213 4.339 6.004 1.00 0.13 N ATOM 749 CA TYR A 49 -11.679 3.211 5.136 1.00 0.13 C ATOM 750 C TYR A 49 -11.338 1.882 5.811 1.00 0.11 C ATOM 751 O TYR A 49 -10.513 1.124 5.340 1.00 0.11 O ATOM 752 CB TYR A 49 -10.981 3.297 3.770 1.00 0.15 C ATOM 753 CG TYR A 49 -11.682 4.331 2.919 1.00 0.16 C ATOM 754 CD1 TYR A 49 -12.955 4.048 2.393 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.074 5.578 2.666 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.623 5.006 1.610 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.741 6.539 1.887 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.017 6.254 1.356 1.00 0.21 C ATOM 759 OH TYR A 49 -13.673 7.197 0.592 1.00 0.24 O ATOM 0 H TYR A 49 -10.270 4.231 6.376 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.757 3.276 4.992 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -9.933 3.565 3.900 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.002 2.326 3.275 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.420 3.094 2.591 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.096 5.794 3.071 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.599 4.786 1.203 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.277 7.495 1.695 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.032 7.872 0.284 1.00 0.24 H new ATOM 769 N SER A 50 -11.977 1.593 6.909 1.00 0.12 N ATOM 770 CA SER A 50 -11.703 0.313 7.615 1.00 0.13 C ATOM 771 C SER A 50 -12.205 -0.854 6.761 1.00 0.13 C ATOM 772 O SER A 50 -12.034 -2.007 7.105 1.00 0.14 O ATOM 773 CB SER A 50 -12.430 0.313 8.961 1.00 0.16 C ATOM 774 OG SER A 50 -13.829 0.429 8.740 1.00 0.17 O ATOM 0 H SER A 50 -12.678 2.189 7.348 1.00 0.12 H new ATOM 0 HA SER A 50 -10.631 0.206 7.781 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.211 -0.606 9.505 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.078 1.140 9.577 1.00 0.16 H new ATOM 0 HG SER A 50 -14.297 0.428 9.601 1.00 0.17 H new ATOM 780 N ASN A 51 -12.834 -0.563 5.651 1.00 0.13 N ATOM 781 CA ASN A 51 -13.359 -1.649 4.769 1.00 0.15 C ATOM 782 C ASN A 51 -12.338 -1.963 3.673 1.00 0.13 C ATOM 783 O ASN A 51 -12.570 -2.795 2.819 1.00 0.14 O ATOM 784 CB ASN A 51 -14.665 -1.185 4.127 1.00 0.17 C ATOM 785 CG ASN A 51 -15.257 -2.318 3.286 1.00 0.20 C ATOM 786 OD1 ASN A 51 -14.862 -2.472 2.052 1.00 0.34 O flip ATOM 787 ND2 ASN A 51 -16.086 -3.070 3.757 1.00 0.32 N flip ATOM 0 H ASN A 51 -13.007 0.385 5.316 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.537 -2.546 5.362 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.374 -0.883 4.898 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.484 -0.311 3.501 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -16.394 -2.949 4.722 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -16.474 -3.822 3.188 1.00 0.32 H new ATOM 794 N VAL A 52 -11.207 -1.304 3.702 1.00 0.11 N ATOM 795 CA VAL A 52 -10.139 -1.548 2.680 1.00 0.10 C ATOM 796 C VAL A 52 -8.880 -2.038 3.391 1.00 0.10 C ATOM 797 O VAL A 52 -8.657 -1.740 4.547 1.00 0.11 O ATOM 798 CB VAL A 52 -9.833 -0.242 1.950 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.650 -0.450 1.001 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.067 0.185 1.152 1.00 0.12 C ATOM 0 H VAL A 52 -10.974 -0.597 4.399 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.474 -2.296 1.961 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.578 0.533 2.672 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.433 0.483 0.481 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.775 -0.759 1.573 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.899 -1.222 0.273 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.857 1.117 0.628 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.318 -0.590 0.428 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.907 0.332 1.831 1.00 0.12 H new ATOM 810 N ILE A 53 -8.056 -2.795 2.713 1.00 0.09 N ATOM 811 CA ILE A 53 -6.805 -3.319 3.346 1.00 0.09 C ATOM 812 C ILE A 53 -5.619 -2.454 2.895 1.00 0.09 C ATOM 813 O ILE A 53 -5.423 -2.223 1.719 1.00 0.14 O ATOM 814 CB ILE A 53 -6.586 -4.767 2.896 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.918 -5.548 2.963 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.503 -5.437 3.761 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.635 -5.369 4.317 1.00 0.17 C ATOM 0 H ILE A 53 -8.196 -3.075 1.742 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.890 -3.285 4.432 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.240 -4.772 1.863 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.574 -5.212 2.160 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.724 -6.607 2.794 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.358 -6.465 3.430 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.567 -4.888 3.661 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.817 -5.433 4.805 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.565 -5.937 4.314 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -7.992 -5.730 5.120 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.855 -4.313 4.475 1.00 0.17 H new ATOM 829 N PHE A 54 -4.833 -1.973 3.825 1.00 0.08 N ATOM 830 CA PHE A 54 -3.652 -1.114 3.476 1.00 0.08 C ATOM 831 C PHE A 54 -2.370 -1.847 3.858 1.00 0.08 C ATOM 832 O PHE A 54 -2.256 -2.384 4.942 1.00 0.11 O ATOM 833 CB PHE A 54 -3.731 0.191 4.261 1.00 0.08 C ATOM 834 CG PHE A 54 -4.865 1.026 3.719 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.752 1.608 2.444 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.031 1.219 4.483 1.00 0.09 C ATOM 837 CE1 PHE A 54 -5.806 2.386 1.929 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.087 1.996 3.970 1.00 0.09 C ATOM 839 CZ PHE A 54 -6.974 2.581 2.692 1.00 0.09 C ATOM 0 H PHE A 54 -4.958 -2.139 4.824 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.654 -0.903 2.407 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.889 -0.016 5.319 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.791 0.736 4.180 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -3.856 1.458 1.860 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -6.116 0.771 5.462 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -5.719 2.833 0.950 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.983 2.144 4.555 1.00 0.09 H new ATOM 0 HZ PHE A 54 -7.783 3.179 2.298 1.00 0.09 H new ATOM 849 N LEU A 55 -1.407 -1.879 2.971 1.00 0.08 N ATOM 850 CA LEU A 55 -0.117 -2.586 3.256 1.00 0.09 C ATOM 851 C LEU A 55 1.023 -1.557 3.289 1.00 0.09 C ATOM 852 O LEU A 55 0.857 -0.416 2.911 1.00 0.10 O ATOM 853 CB LEU A 55 0.153 -3.617 2.143 1.00 0.10 C ATOM 854 CG LEU A 55 -0.638 -4.914 2.388 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.130 -4.615 2.612 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.484 -5.823 1.164 1.00 0.12 C ATOM 0 H LEU A 55 -1.459 -1.441 2.051 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.178 -3.096 4.217 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.124 -3.195 1.177 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.219 -3.840 2.100 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.247 -5.402 3.281 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.666 -5.548 2.783 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.245 -3.966 3.480 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.538 -4.118 1.732 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -1.040 -6.747 1.324 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.872 -5.314 0.282 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.570 -6.056 1.014 1.00 0.12 H new ATOM 868 N GLU A 56 2.180 -1.961 3.740 1.00 0.09 N ATOM 869 CA GLU A 56 3.344 -1.027 3.806 1.00 0.09 C ATOM 870 C GLU A 56 4.613 -1.821 3.484 1.00 0.09 C ATOM 871 O GLU A 56 4.745 -2.966 3.870 1.00 0.10 O ATOM 872 CB GLU A 56 3.434 -0.429 5.217 1.00 0.09 C ATOM 873 CG GLU A 56 4.349 0.801 5.213 1.00 0.11 C ATOM 874 CD GLU A 56 4.200 1.553 6.540 1.00 0.53 C ATOM 875 OE1 GLU A 56 4.535 0.980 7.564 1.00 1.31 O ATOM 876 OE2 GLU A 56 3.752 2.688 6.509 1.00 1.24 O ATOM 0 H GLU A 56 2.371 -2.907 4.069 1.00 0.09 H new ATOM 0 HA GLU A 56 3.227 -0.214 3.089 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.440 -0.151 5.566 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.819 -1.175 5.912 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.386 0.496 5.070 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.092 1.456 4.381 1.00 0.11 H new ATOM 883 N VAL A 57 5.535 -1.242 2.753 1.00 0.08 N ATOM 884 CA VAL A 57 6.782 -1.985 2.378 1.00 0.08 C ATOM 885 C VAL A 57 8.003 -1.057 2.457 1.00 0.09 C ATOM 886 O VAL A 57 7.931 0.118 2.148 1.00 0.14 O ATOM 887 CB VAL A 57 6.634 -2.509 0.935 1.00 0.09 C ATOM 888 CG1 VAL A 57 8.004 -2.928 0.381 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.692 -3.721 0.916 1.00 0.09 C ATOM 0 H VAL A 57 5.479 -0.287 2.399 1.00 0.08 H new ATOM 0 HA VAL A 57 6.927 -2.815 3.070 1.00 0.08 H new ATOM 0 HB VAL A 57 6.222 -1.713 0.315 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.887 -3.296 -0.638 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.675 -2.069 0.382 1.00 0.10 H new ATOM 0 HG13 VAL A 57 8.423 -3.717 1.006 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.591 -4.087 -0.106 1.00 0.09 H new ATOM 0 HG22 VAL A 57 6.102 -4.511 1.546 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.713 -3.427 1.295 1.00 0.09 H new ATOM 899 N ASP A 58 9.133 -1.602 2.842 1.00 0.09 N ATOM 900 CA ASP A 58 10.391 -0.799 2.919 1.00 0.09 C ATOM 901 C ASP A 58 11.236 -1.111 1.677 1.00 0.10 C ATOM 902 O ASP A 58 11.880 -2.138 1.594 1.00 0.11 O ATOM 903 CB ASP A 58 11.168 -1.186 4.184 1.00 0.11 C ATOM 904 CG ASP A 58 12.227 -0.123 4.481 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.847 0.992 4.802 1.00 1.06 O ATOM 906 OD2 ASP A 58 13.400 -0.440 4.381 1.00 1.08 O ATOM 0 H ASP A 58 9.236 -2.581 3.109 1.00 0.09 H new ATOM 0 HA ASP A 58 10.160 0.266 2.958 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.485 -1.279 5.028 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.642 -2.158 4.049 1.00 0.11 H new ATOM 911 N VAL A 59 11.214 -0.246 0.702 1.00 0.12 N ATOM 912 CA VAL A 59 11.990 -0.498 -0.551 1.00 0.15 C ATOM 913 C VAL A 59 13.484 -0.657 -0.257 1.00 0.18 C ATOM 914 O VAL A 59 14.264 -0.908 -1.154 1.00 0.27 O ATOM 915 CB VAL A 59 11.800 0.680 -1.508 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.360 0.700 -2.013 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.101 1.992 -0.776 1.00 0.22 C ATOM 0 H VAL A 59 10.691 0.629 0.716 1.00 0.12 H new ATOM 0 HA VAL A 59 11.622 -1.421 -0.998 1.00 0.15 H new ATOM 0 HB VAL A 59 12.481 0.572 -2.352 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.225 1.540 -2.695 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.145 -0.231 -2.537 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.680 0.806 -1.168 1.00 0.19 H new ATOM 0 HG21 VAL A 59 11.965 2.830 -1.460 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.423 2.100 0.070 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.130 1.980 -0.417 1.00 0.22 H new ATOM 927 N ASP A 60 13.897 -0.490 0.974 1.00 0.16 N ATOM 928 CA ASP A 60 15.355 -0.605 1.311 1.00 0.18 C ATOM 929 C ASP A 60 15.637 -1.880 2.108 1.00 0.17 C ATOM 930 O ASP A 60 16.634 -2.540 1.892 1.00 0.18 O ATOM 931 CB ASP A 60 15.768 0.605 2.148 1.00 0.21 C ATOM 932 CG ASP A 60 15.599 1.879 1.318 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.434 2.118 0.462 1.00 1.11 O ATOM 934 OD2 ASP A 60 14.640 2.591 1.553 1.00 1.08 O ATOM 0 H ASP A 60 13.288 -0.278 1.764 1.00 0.16 H new ATOM 0 HA ASP A 60 15.924 -0.644 0.382 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.159 0.662 3.050 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.804 0.502 2.469 1.00 0.21 H new ATOM 939 N ASP A 61 14.789 -2.230 3.040 1.00 0.17 N ATOM 940 CA ASP A 61 15.035 -3.460 3.861 1.00 0.17 C ATOM 941 C ASP A 61 14.262 -4.649 3.272 1.00 0.16 C ATOM 942 O ASP A 61 14.628 -5.789 3.472 1.00 0.18 O ATOM 943 CB ASP A 61 14.586 -3.194 5.305 1.00 0.19 C ATOM 944 CG ASP A 61 14.465 -4.513 6.077 1.00 0.22 C ATOM 945 OD1 ASP A 61 15.459 -5.215 6.172 1.00 1.12 O ATOM 946 OD2 ASP A 61 13.381 -4.799 6.558 1.00 1.07 O ATOM 0 H ASP A 61 13.936 -1.720 3.270 1.00 0.17 H new ATOM 0 HA ASP A 61 16.098 -3.703 3.851 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.302 -2.539 5.801 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.627 -2.676 5.305 1.00 0.19 H new ATOM 951 N ALA A 62 13.210 -4.391 2.533 1.00 0.16 N ATOM 952 CA ALA A 62 12.417 -5.504 1.912 1.00 0.16 C ATOM 953 C ALA A 62 12.667 -5.490 0.405 1.00 0.16 C ATOM 954 O ALA A 62 11.753 -5.571 -0.392 1.00 0.15 O ATOM 955 CB ALA A 62 10.927 -5.292 2.186 1.00 0.17 C ATOM 0 H ALA A 62 12.863 -3.453 2.331 1.00 0.16 H new ATOM 0 HA ALA A 62 12.721 -6.461 2.336 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.355 -6.102 1.734 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.753 -5.282 3.262 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.610 -4.341 1.758 1.00 0.17 H new ATOM 961 N GLN A 63 13.905 -5.377 0.018 1.00 0.20 N ATOM 962 CA GLN A 63 14.242 -5.343 -1.434 1.00 0.22 C ATOM 963 C GLN A 63 13.633 -6.561 -2.140 1.00 0.20 C ATOM 964 O GLN A 63 13.565 -6.611 -3.351 1.00 0.20 O ATOM 965 CB GLN A 63 15.766 -5.355 -1.606 1.00 0.29 C ATOM 966 CG GLN A 63 16.408 -4.453 -0.547 1.00 0.90 C ATOM 967 CD GLN A 63 17.874 -4.204 -0.907 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.366 -4.713 -1.896 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.600 -3.437 -0.140 1.00 2.22 N ATOM 0 H GLN A 63 14.704 -5.306 0.648 1.00 0.20 H new ATOM 0 HA GLN A 63 13.834 -4.434 -1.876 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.145 -6.372 -1.510 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.033 -5.008 -2.604 1.00 0.29 H new ATOM 0 HG2 GLN A 63 15.872 -3.506 -0.487 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.338 -4.921 0.435 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.189 -3.009 0.690 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.579 -3.265 -0.370 1.00 2.22 H new ATOM 978 N ASP A 64 13.193 -7.543 -1.399 1.00 0.19 N ATOM 979 CA ASP A 64 12.597 -8.745 -2.045 1.00 0.20 C ATOM 980 C ASP A 64 11.235 -8.378 -2.638 1.00 0.17 C ATOM 981 O ASP A 64 10.905 -8.764 -3.742 1.00 0.19 O ATOM 982 CB ASP A 64 12.427 -9.855 -1.002 1.00 0.22 C ATOM 983 CG ASP A 64 11.941 -9.251 0.318 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.720 -8.559 0.952 1.00 1.11 O ATOM 985 OD2 ASP A 64 10.799 -9.492 0.672 1.00 1.09 O ATOM 0 H ASP A 64 13.221 -7.564 -0.380 1.00 0.19 H new ATOM 0 HA ASP A 64 13.254 -9.098 -2.840 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.712 -10.597 -1.359 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.374 -10.373 -0.850 1.00 0.22 H new ATOM 990 N VAL A 65 10.443 -7.632 -1.920 1.00 0.15 N ATOM 991 CA VAL A 65 9.112 -7.241 -2.456 1.00 0.16 C ATOM 992 C VAL A 65 9.313 -6.188 -3.548 1.00 0.16 C ATOM 993 O VAL A 65 8.709 -6.247 -4.601 1.00 0.19 O ATOM 994 CB VAL A 65 8.253 -6.665 -1.330 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.800 -6.559 -1.800 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.327 -7.585 -0.105 1.00 0.18 C ATOM 0 H VAL A 65 10.660 -7.278 -0.988 1.00 0.15 H new ATOM 0 HA VAL A 65 8.607 -8.113 -2.873 1.00 0.16 H new ATOM 0 HB VAL A 65 8.623 -5.675 -1.063 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.187 -6.148 -0.998 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.746 -5.904 -2.670 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.431 -7.549 -2.068 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.714 -7.173 0.697 1.00 0.18 H new ATOM 0 HG22 VAL A 65 7.958 -8.576 -0.371 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.361 -7.661 0.231 1.00 0.18 H new ATOM 1006 N ALA A 66 10.176 -5.234 -3.315 1.00 0.16 N ATOM 1007 CA ALA A 66 10.433 -4.194 -4.350 1.00 0.18 C ATOM 1008 C ALA A 66 11.011 -4.877 -5.589 1.00 0.19 C ATOM 1009 O ALA A 66 10.730 -4.499 -6.709 1.00 0.20 O ATOM 1010 CB ALA A 66 11.438 -3.172 -3.812 1.00 0.22 C ATOM 0 H ALA A 66 10.712 -5.132 -2.454 1.00 0.16 H new ATOM 0 HA ALA A 66 9.506 -3.680 -4.603 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.625 -2.412 -4.570 1.00 0.22 H new ATOM 0 HB2 ALA A 66 11.033 -2.700 -2.917 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.372 -3.676 -3.565 1.00 0.22 H new ATOM 1016 N SER A 67 11.809 -5.894 -5.392 1.00 0.21 N ATOM 1017 CA SER A 67 12.396 -6.616 -6.553 1.00 0.26 C ATOM 1018 C SER A 67 11.265 -7.283 -7.341 1.00 0.26 C ATOM 1019 O SER A 67 11.195 -7.188 -8.551 1.00 0.29 O ATOM 1020 CB SER A 67 13.377 -7.681 -6.050 1.00 0.31 C ATOM 1021 OG SER A 67 14.623 -7.064 -5.749 1.00 1.29 O ATOM 0 H SER A 67 12.078 -6.254 -4.476 1.00 0.21 H new ATOM 0 HA SER A 67 12.930 -5.917 -7.196 1.00 0.26 H new ATOM 0 HB2 SER A 67 12.977 -8.171 -5.163 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.513 -8.453 -6.807 1.00 0.31 H new ATOM 0 HG SER A 67 14.608 -6.729 -4.828 1.00 1.29 H new ATOM 1027 N GLU A 68 10.376 -7.953 -6.659 1.00 0.26 N ATOM 1028 CA GLU A 68 9.244 -8.624 -7.354 1.00 0.30 C ATOM 1029 C GLU A 68 8.367 -7.568 -8.031 1.00 0.31 C ATOM 1030 O GLU A 68 7.883 -7.759 -9.129 1.00 0.36 O ATOM 1031 CB GLU A 68 8.412 -9.404 -6.327 1.00 0.31 C ATOM 1032 CG GLU A 68 7.360 -10.262 -7.041 1.00 0.39 C ATOM 1033 CD GLU A 68 6.200 -9.378 -7.508 1.00 1.43 C ATOM 1034 OE1 GLU A 68 5.522 -8.824 -6.658 1.00 2.19 O ATOM 1035 OE2 GLU A 68 6.012 -9.269 -8.709 1.00 2.20 O ATOM 0 H GLU A 68 10.387 -8.064 -5.645 1.00 0.26 H new ATOM 0 HA GLU A 68 9.629 -9.311 -8.108 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.064 -10.039 -5.727 1.00 0.31 H new ATOM 0 HB3 GLU A 68 7.923 -8.711 -5.642 1.00 0.31 H new ATOM 0 HG2 GLU A 68 7.809 -10.769 -7.895 1.00 0.39 H new ATOM 0 HG3 GLU A 68 6.991 -11.036 -6.368 1.00 0.39 H new ATOM 1042 N ALA A 69 8.155 -6.451 -7.383 1.00 0.29 N ATOM 1043 CA ALA A 69 7.306 -5.379 -7.985 1.00 0.31 C ATOM 1044 C ALA A 69 8.177 -4.455 -8.845 1.00 0.29 C ATOM 1045 O ALA A 69 7.689 -3.547 -9.487 1.00 0.33 O ATOM 1046 CB ALA A 69 6.643 -4.571 -6.866 1.00 0.31 C ATOM 0 H ALA A 69 8.534 -6.235 -6.461 1.00 0.29 H new ATOM 0 HA ALA A 69 6.537 -5.830 -8.612 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.023 -3.788 -7.301 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.022 -5.231 -6.260 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.412 -4.119 -6.239 1.00 0.31 H new ATOM 1052 N GLU A 70 9.460 -4.688 -8.868 1.00 0.27 N ATOM 1053 CA GLU A 70 10.364 -3.834 -9.693 1.00 0.29 C ATOM 1054 C GLU A 70 10.057 -2.350 -9.458 1.00 0.25 C ATOM 1055 O GLU A 70 9.841 -1.599 -10.387 1.00 0.26 O ATOM 1056 CB GLU A 70 10.161 -4.166 -11.175 1.00 0.38 C ATOM 1057 CG GLU A 70 10.589 -5.612 -11.442 1.00 1.18 C ATOM 1058 CD GLU A 70 12.117 -5.706 -11.438 1.00 1.61 C ATOM 1059 OE1 GLU A 70 12.738 -4.988 -12.205 1.00 2.06 O ATOM 1060 OE2 GLU A 70 12.640 -6.496 -10.668 1.00 2.34 O ATOM 0 H GLU A 70 9.924 -5.434 -8.350 1.00 0.27 H new ATOM 0 HA GLU A 70 11.397 -4.031 -9.406 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.115 -4.030 -11.448 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.744 -3.484 -11.794 1.00 0.38 H new ATOM 0 HG2 GLU A 70 10.172 -6.271 -10.681 1.00 1.18 H new ATOM 0 HG3 GLU A 70 10.197 -5.946 -12.402 1.00 1.18 H new ATOM 1067 N VAL A 71 10.048 -1.921 -8.224 1.00 0.22 N ATOM 1068 CA VAL A 71 9.769 -0.483 -7.936 1.00 0.19 C ATOM 1069 C VAL A 71 11.038 0.339 -8.174 1.00 0.23 C ATOM 1070 O VAL A 71 12.118 -0.051 -7.776 1.00 0.28 O ATOM 1071 CB VAL A 71 9.333 -0.325 -6.482 1.00 0.18 C ATOM 1072 CG1 VAL A 71 8.938 1.129 -6.241 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.130 -1.229 -6.212 1.00 0.19 C ATOM 0 H VAL A 71 10.221 -2.503 -7.404 1.00 0.22 H new ATOM 0 HA VAL A 71 8.974 -0.132 -8.594 1.00 0.19 H new ATOM 0 HB VAL A 71 10.151 -0.603 -5.817 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.624 1.254 -5.205 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.792 1.776 -6.442 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.115 1.397 -6.904 1.00 0.19 H new ATOM 0 HG21 VAL A 71 7.817 -1.118 -5.174 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.308 -0.948 -6.871 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.406 -2.267 -6.398 1.00 0.19 H new ATOM 1083 N LYS A 72 10.915 1.475 -8.819 1.00 0.24 N ATOM 1084 CA LYS A 72 12.111 2.339 -9.094 1.00 0.29 C ATOM 1085 C LYS A 72 11.815 3.776 -8.656 1.00 0.26 C ATOM 1086 O LYS A 72 12.616 4.670 -8.844 1.00 0.27 O ATOM 1087 CB LYS A 72 12.415 2.316 -10.595 1.00 0.35 C ATOM 1088 CG LYS A 72 12.944 0.930 -10.989 1.00 0.43 C ATOM 1089 CD LYS A 72 12.819 0.737 -12.503 1.00 1.16 C ATOM 1090 CE LYS A 72 13.323 -0.658 -12.880 1.00 1.66 C ATOM 1091 NZ LYS A 72 13.102 -0.891 -14.335 1.00 2.40 N ATOM 0 H LYS A 72 10.031 1.844 -9.170 1.00 0.24 H new ATOM 0 HA LYS A 72 12.970 1.962 -8.540 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.514 2.548 -11.163 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.152 3.081 -10.839 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.986 0.829 -10.685 1.00 0.43 H new ATOM 0 HG3 LYS A 72 12.383 0.155 -10.467 1.00 0.43 H new ATOM 0 HD2 LYS A 72 11.780 0.856 -12.812 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.397 1.499 -13.027 1.00 1.16 H new ATOM 0 HE2 LYS A 72 14.383 -0.749 -12.643 1.00 1.66 H new ATOM 0 HE3 LYS A 72 12.800 -1.415 -12.296 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 13.445 -1.839 -14.591 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 12.086 -0.821 -14.547 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 13.621 -0.176 -14.884 1.00 2.40 H new ATOM 1105 N ALA A 73 10.670 4.007 -8.070 1.00 0.22 N ATOM 1106 CA ALA A 73 10.321 5.390 -7.616 1.00 0.20 C ATOM 1107 C ALA A 73 9.359 5.294 -6.432 1.00 0.18 C ATOM 1108 O ALA A 73 8.429 4.521 -6.458 1.00 0.16 O ATOM 1109 CB ALA A 73 9.649 6.152 -8.772 1.00 0.21 C ATOM 0 H ALA A 73 9.959 3.299 -7.885 1.00 0.22 H new ATOM 0 HA ALA A 73 11.223 5.922 -7.313 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.394 7.160 -8.444 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.334 6.208 -9.618 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.742 5.628 -9.074 1.00 0.21 H new ATOM 1115 N THR A 74 9.569 6.085 -5.401 1.00 0.18 N ATOM 1116 CA THR A 74 8.647 6.046 -4.214 1.00 0.17 C ATOM 1117 C THR A 74 7.985 7.428 -4.049 1.00 0.17 C ATOM 1118 O THR A 74 8.591 8.425 -4.388 1.00 0.19 O ATOM 1119 CB THR A 74 9.452 5.736 -2.936 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.511 6.665 -2.812 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.043 4.319 -2.981 1.00 0.19 C ATOM 0 H THR A 74 10.336 6.754 -5.330 1.00 0.18 H new ATOM 0 HA THR A 74 7.893 5.275 -4.370 1.00 0.17 H new ATOM 0 HB THR A 74 8.776 5.807 -2.084 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.023 6.471 -1.999 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.605 4.130 -2.066 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.236 3.591 -3.068 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.708 4.229 -3.840 1.00 0.19 H new ATOM 1129 N PRO A 75 6.777 7.477 -3.506 1.00 0.17 N ATOM 1130 CA PRO A 75 5.993 6.295 -3.075 1.00 0.16 C ATOM 1131 C PRO A 75 5.367 5.616 -4.295 1.00 0.14 C ATOM 1132 O PRO A 75 4.975 6.270 -5.242 1.00 0.14 O ATOM 1133 CB PRO A 75 4.888 6.877 -2.164 1.00 0.17 C ATOM 1134 CG PRO A 75 4.883 8.418 -2.379 1.00 0.20 C ATOM 1135 CD PRO A 75 6.113 8.767 -3.250 1.00 0.19 C ATOM 0 HA PRO A 75 6.602 5.548 -2.565 1.00 0.16 H new ATOM 0 HB2 PRO A 75 3.917 6.450 -2.415 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.083 6.634 -1.119 1.00 0.17 H new ATOM 0 HG2 PRO A 75 3.963 8.734 -2.870 1.00 0.20 H new ATOM 0 HG3 PRO A 75 4.929 8.939 -1.423 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.814 9.248 -4.181 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.779 9.458 -2.734 1.00 0.19 H new ATOM 1143 N THR A 76 5.251 4.312 -4.264 1.00 0.13 N ATOM 1144 CA THR A 76 4.619 3.580 -5.408 1.00 0.12 C ATOM 1145 C THR A 76 3.337 2.953 -4.896 1.00 0.12 C ATOM 1146 O THR A 76 3.360 2.053 -4.086 1.00 0.18 O ATOM 1147 CB THR A 76 5.547 2.466 -5.929 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.884 2.923 -5.891 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.172 2.109 -7.373 1.00 0.13 C ATOM 0 H THR A 76 5.567 3.721 -3.495 1.00 0.13 H new ATOM 0 HA THR A 76 4.427 4.274 -6.226 1.00 0.12 H new ATOM 0 HB THR A 76 5.439 1.581 -5.302 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.931 3.827 -6.266 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.832 1.321 -7.736 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.139 1.762 -7.405 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.278 2.991 -8.005 1.00 0.13 H new ATOM 1157 N PHE A 77 2.215 3.415 -5.358 1.00 0.09 N ATOM 1158 CA PHE A 77 0.934 2.826 -4.888 1.00 0.09 C ATOM 1159 C PHE A 77 0.530 1.719 -5.841 1.00 0.09 C ATOM 1160 O PHE A 77 0.219 1.956 -6.992 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.154 3.890 -4.854 1.00 0.10 C ATOM 1162 CG PHE A 77 0.173 4.876 -3.767 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.058 4.528 -2.426 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.711 6.135 -4.094 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.248 5.445 -1.403 1.00 0.09 C ATOM 1166 CE2 PHE A 77 1.017 7.054 -3.074 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.785 6.713 -1.729 1.00 0.12 C ATOM 0 H PHE A 77 2.127 4.171 -6.037 1.00 0.09 H new ATOM 0 HA PHE A 77 1.064 2.428 -3.882 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.218 4.396 -5.817 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.126 3.432 -4.669 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.469 3.560 -2.181 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.889 6.395 -5.127 1.00 0.14 H new ATOM 0 HE1 PHE A 77 0.073 5.181 -0.370 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.430 8.020 -3.323 1.00 0.15 H new ATOM 0 HZ PHE A 77 1.017 7.419 -0.945 1.00 0.12 H new ATOM 1177 N GLN A 78 0.529 0.507 -5.363 1.00 0.07 N ATOM 1178 CA GLN A 78 0.142 -0.653 -6.209 1.00 0.07 C ATOM 1179 C GLN A 78 -1.122 -1.253 -5.610 1.00 0.06 C ATOM 1180 O GLN A 78 -1.264 -1.339 -4.405 1.00 0.07 O ATOM 1181 CB GLN A 78 1.279 -1.682 -6.205 1.00 0.08 C ATOM 1182 CG GLN A 78 2.627 -0.957 -6.295 1.00 0.12 C ATOM 1183 CD GLN A 78 3.708 -1.934 -6.766 1.00 0.14 C ATOM 1184 OE1 GLN A 78 3.977 -2.922 -6.111 1.00 0.81 O ATOM 1185 NE2 GLN A 78 4.339 -1.700 -7.883 1.00 1.03 N ATOM 0 H GLN A 78 0.785 0.268 -4.405 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.041 -0.349 -7.240 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.237 -2.282 -5.296 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.166 -2.367 -7.045 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.554 -0.118 -6.988 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.895 -0.545 -5.322 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.113 -0.871 -8.432 1.00 1.03 H new ATOM 0 HE22 GLN A 78 5.059 -2.346 -8.207 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.054 -1.631 -6.439 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.345 -2.186 -5.935 1.00 0.07 C ATOM 1196 C PHE A 79 -3.423 -3.676 -6.249 1.00 0.07 C ATOM 1197 O PHE A 79 -3.250 -4.095 -7.377 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.501 -1.449 -6.619 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.469 0.005 -6.195 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.437 0.839 -6.650 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.454 0.515 -5.336 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.384 2.188 -6.250 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.405 1.861 -4.925 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.372 2.698 -5.382 1.00 0.11 C ATOM 0 H PHE A 79 -1.977 -1.579 -7.455 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.409 -2.050 -4.855 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.411 -1.529 -7.702 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.453 -1.902 -6.344 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.679 0.444 -7.311 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.251 -0.126 -4.989 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.591 2.829 -6.606 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.161 2.250 -4.259 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.335 3.731 -5.069 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.688 -4.474 -5.246 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.793 -5.950 -5.440 1.00 0.08 C ATOM 1216 C PHE A 80 -5.180 -6.400 -4.995 1.00 0.11 C ATOM 1217 O PHE A 80 -5.840 -5.740 -4.215 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.733 -6.664 -4.595 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.369 -6.500 -5.230 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -0.950 -7.384 -6.246 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.513 -5.473 -4.796 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.327 -7.235 -6.825 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.762 -5.323 -5.375 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.182 -6.204 -6.387 1.00 0.14 C ATOM 0 H PHE A 80 -3.838 -4.159 -4.287 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.634 -6.196 -6.490 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.725 -6.254 -3.585 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.978 -7.723 -4.508 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.606 -8.174 -6.580 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.834 -4.797 -4.017 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.650 -7.910 -7.604 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.417 -4.532 -5.042 1.00 0.11 H new ATOM 0 HZ PHE A 80 2.161 -6.090 -6.829 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.627 -7.516 -5.489 1.00 0.11 N ATOM 1235 CA LYS A 81 -6.972 -8.016 -5.106 1.00 0.14 C ATOM 1236 C LYS A 81 -6.975 -9.528 -5.312 1.00 0.14 C ATOM 1237 O LYS A 81 -6.682 -10.006 -6.389 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.033 -7.347 -5.997 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.411 -7.413 -5.330 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.409 -6.596 -6.153 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.768 -6.586 -5.453 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.422 -7.915 -5.617 1.00 1.48 N ATOM 0 H LYS A 81 -5.116 -8.107 -6.145 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.201 -7.781 -4.066 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.760 -6.308 -6.180 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.068 -7.843 -6.967 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.743 -8.448 -5.257 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.355 -7.024 -4.313 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.045 -5.576 -6.276 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.507 -7.022 -7.152 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -11.642 -6.359 -4.394 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.400 -5.804 -5.874 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.455 -7.795 -5.624 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.117 -8.343 -6.514 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.150 -8.535 -4.828 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.278 -10.279 -4.288 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.277 -11.764 -4.416 1.00 0.20 C ATOM 1258 C LYS A 82 -5.900 -12.246 -4.888 1.00 0.20 C ATOM 1259 O LYS A 82 -5.751 -13.360 -5.352 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.351 -12.203 -5.427 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.731 -12.192 -4.764 1.00 0.24 C ATOM 1262 CD LYS A 82 -10.777 -12.742 -5.744 1.00 0.36 C ATOM 1263 CE LYS A 82 -10.865 -11.842 -6.985 1.00 1.19 C ATOM 1264 NZ LYS A 82 -12.188 -12.035 -7.641 1.00 1.67 N ATOM 0 H LYS A 82 -7.527 -9.926 -3.364 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.498 -12.203 -3.443 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.347 -11.534 -6.288 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.125 -13.202 -5.799 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.715 -12.796 -3.857 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -9.995 -11.177 -4.466 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.511 -13.757 -6.040 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.750 -12.797 -5.256 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -10.736 -10.798 -6.701 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -10.062 -12.084 -7.681 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -12.250 -11.427 -8.482 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -12.293 -13.030 -7.925 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -12.946 -11.783 -6.975 1.00 1.67 H new ATOM 1278 N GLY A 83 -4.890 -11.427 -4.762 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.518 -11.847 -5.190 1.00 0.21 C ATOM 1280 C GLY A 83 -3.229 -11.358 -6.611 1.00 0.19 C ATOM 1281 O GLY A 83 -2.169 -11.609 -7.147 1.00 0.22 O ATOM 0 H GLY A 83 -4.953 -10.483 -4.381 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.776 -11.443 -4.502 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.434 -12.933 -5.148 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.161 -10.672 -7.234 1.00 0.16 N ATOM 1286 CA GLN A 84 -3.932 -10.171 -8.635 1.00 0.17 C ATOM 1287 C GLN A 84 -3.833 -8.645 -8.636 1.00 0.16 C ATOM 1288 O GLN A 84 -4.419 -7.973 -7.812 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.103 -10.584 -9.526 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.355 -12.088 -9.382 1.00 0.23 C ATOM 1291 CD GLN A 84 -4.089 -12.859 -9.760 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -3.224 -13.159 -8.832 1.00 1.86 O flip ATOM 1293 NE2 GLN A 84 -3.887 -13.195 -10.909 1.00 2.08 N flip ATOM 0 H GLN A 84 -5.070 -10.436 -6.836 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.004 -10.600 -9.012 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -5.998 -10.027 -9.248 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -4.885 -10.340 -10.566 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -5.643 -12.322 -8.357 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -6.183 -12.391 -10.023 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -4.564 -12.960 -11.635 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -3.041 -13.712 -11.148 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.097 -8.093 -9.568 1.00 0.17 N ATOM 1303 CA LYS A 85 -2.954 -6.608 -9.642 1.00 0.17 C ATOM 1304 C LYS A 85 -4.113 -6.028 -10.454 1.00 0.16 C ATOM 1305 O LYS A 85 -4.532 -6.601 -11.441 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.621 -6.266 -10.310 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.237 -4.819 -9.965 1.00 0.25 C ATOM 1308 CD LYS A 85 0.129 -4.471 -10.560 1.00 0.30 C ATOM 1309 CE LYS A 85 1.220 -5.390 -9.987 1.00 0.89 C ATOM 1310 NZ LYS A 85 2.536 -4.694 -10.053 1.00 1.70 N ATOM 0 H LYS A 85 -2.587 -8.610 -10.284 1.00 0.17 H new ATOM 0 HA LYS A 85 -2.973 -6.181 -8.639 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.844 -6.951 -9.970 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.701 -6.385 -11.390 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -1.993 -4.134 -10.350 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.212 -4.691 -8.883 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.095 -4.571 -11.645 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.372 -3.431 -10.343 1.00 0.30 H new ATOM 0 HE2 LYS A 85 0.986 -5.652 -8.955 1.00 0.89 H new ATOM 0 HE3 LYS A 85 1.260 -6.322 -10.551 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 3.276 -5.314 -9.666 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 2.759 -4.465 -11.043 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.493 -3.817 -9.496 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.647 -4.904 -10.034 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.803 -4.283 -10.762 1.00 0.16 C ATOM 1326 C VAL A 86 -5.507 -2.813 -11.088 1.00 0.18 C ATOM 1327 O VAL A 86 -6.259 -2.168 -11.790 1.00 0.26 O ATOM 1328 CB VAL A 86 -7.046 -4.372 -9.872 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.560 -5.811 -9.870 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.679 -3.968 -8.442 1.00 0.17 C ATOM 0 H VAL A 86 -4.330 -4.387 -9.214 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.969 -4.816 -11.698 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.817 -3.704 -10.254 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.445 -5.880 -9.238 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.817 -6.107 -10.887 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.785 -6.473 -9.484 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.563 -4.031 -7.808 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.910 -4.640 -8.060 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.302 -2.945 -8.438 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.424 -2.276 -10.597 1.00 0.15 N ATOM 1341 CA GLY A 87 -4.107 -0.846 -10.905 1.00 0.18 C ATOM 1342 C GLY A 87 -2.852 -0.405 -10.146 1.00 0.10 C ATOM 1343 O GLY A 87 -2.382 -1.084 -9.256 1.00 0.08 O ATOM 0 H GLY A 87 -3.749 -2.756 -10.002 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.954 -0.723 -11.977 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.949 -0.212 -10.628 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.304 0.735 -10.494 1.00 0.10 N ATOM 1348 CA GLU A 88 -1.078 1.218 -9.793 1.00 0.10 C ATOM 1349 C GLU A 88 -0.711 2.623 -10.260 1.00 0.10 C ATOM 1350 O GLU A 88 -1.000 3.023 -11.370 1.00 0.11 O ATOM 1351 CB GLU A 88 0.085 0.271 -10.090 1.00 0.17 C ATOM 1352 CG GLU A 88 0.176 0.033 -11.599 1.00 0.25 C ATOM 1353 CD GLU A 88 1.325 -0.930 -11.895 1.00 1.25 C ATOM 1354 OE1 GLU A 88 1.994 -1.329 -10.957 1.00 2.04 O ATOM 1355 OE2 GLU A 88 1.517 -1.253 -13.057 1.00 1.94 O ATOM 0 H GLU A 88 -2.653 1.348 -11.231 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.277 1.242 -8.722 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.018 0.697 -9.721 1.00 0.17 H new ATOM 0 HB3 GLU A 88 -0.061 -0.676 -9.570 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.762 -0.379 -11.970 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.337 0.978 -12.118 1.00 0.25 H new ATOM 1362 N PHE A 89 -0.050 3.364 -9.415 1.00 0.09 N ATOM 1363 CA PHE A 89 0.375 4.740 -9.792 1.00 0.09 C ATOM 1364 C PHE A 89 1.342 5.287 -8.736 1.00 0.09 C ATOM 1365 O PHE A 89 1.098 5.197 -7.553 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.850 5.663 -9.947 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.453 6.012 -8.603 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.809 6.936 -7.751 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.674 5.427 -8.206 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.384 7.268 -6.516 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.245 5.763 -6.968 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.601 6.684 -6.125 1.00 0.11 C ATOM 0 H PHE A 89 0.215 3.073 -8.474 1.00 0.09 H new ATOM 0 HA PHE A 89 0.888 4.704 -10.753 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.556 6.577 -10.464 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.600 5.173 -10.568 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.126 7.387 -8.050 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.170 4.720 -8.855 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.891 7.974 -5.864 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.179 5.314 -6.664 1.00 0.10 H new ATOM 0 HZ PHE A 89 -3.042 6.944 -5.174 1.00 0.11 H new ATOM 1382 N SER A 90 2.451 5.849 -9.157 1.00 0.13 N ATOM 1383 CA SER A 90 3.443 6.414 -8.184 1.00 0.14 C ATOM 1384 C SER A 90 3.335 7.939 -8.185 1.00 0.14 C ATOM 1385 O SER A 90 2.357 8.503 -8.637 1.00 0.17 O ATOM 1386 CB SER A 90 4.860 6.007 -8.601 1.00 0.15 C ATOM 1387 OG SER A 90 5.308 6.866 -9.642 1.00 0.16 O ATOM 0 H SER A 90 2.714 5.941 -10.138 1.00 0.13 H new ATOM 0 HA SER A 90 3.234 6.029 -7.186 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.535 6.069 -7.747 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.868 4.971 -8.940 1.00 0.15 H new ATOM 0 HG SER A 90 6.130 7.320 -9.361 1.00 0.16 H new ATOM 1393 N GLY A 91 4.333 8.614 -7.684 1.00 0.12 N ATOM 1394 CA GLY A 91 4.288 10.105 -7.659 1.00 0.13 C ATOM 1395 C GLY A 91 3.394 10.565 -6.507 1.00 0.13 C ATOM 1396 O GLY A 91 2.338 10.013 -6.272 1.00 0.13 O ATOM 0 H GLY A 91 5.178 8.199 -7.291 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.293 10.509 -7.538 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.904 10.485 -8.606 1.00 0.13 H new ATOM 1400 N ALA A 92 3.810 11.565 -5.780 1.00 0.15 N ATOM 1401 CA ALA A 92 2.980 12.045 -4.637 1.00 0.17 C ATOM 1402 C ALA A 92 1.576 12.426 -5.128 1.00 0.15 C ATOM 1403 O ALA A 92 1.346 13.526 -5.592 1.00 0.16 O ATOM 1404 CB ALA A 92 3.655 13.270 -3.991 1.00 0.20 C ATOM 0 H ALA A 92 4.685 12.069 -5.926 1.00 0.15 H new ATOM 0 HA ALA A 92 2.891 11.247 -3.900 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.049 13.621 -3.156 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.645 12.991 -3.629 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.750 14.065 -4.730 1.00 0.20 H new ATOM 1410 N ASN A 93 0.633 11.528 -5.004 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.770 11.824 -5.431 1.00 0.13 C ATOM 1412 C ASN A 93 -1.716 11.268 -4.358 1.00 0.12 C ATOM 1413 O ASN A 93 -2.446 10.322 -4.580 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.040 11.155 -6.787 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.213 11.844 -7.482 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -2.938 12.701 -6.818 1.00 1.04 O flip ATOM 1417 ND2 ASN A 93 -2.478 11.596 -8.641 1.00 1.15 N flip ATOM 0 H ASN A 93 0.775 10.593 -4.622 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.927 12.897 -5.541 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.150 11.212 -7.414 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.261 10.098 -6.643 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -1.912 10.926 -9.161 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -3.267 12.058 -9.094 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.672 11.844 -3.186 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.525 11.363 -2.054 1.00 0.20 C ATOM 1426 C LYS A 94 -4.016 11.505 -2.382 1.00 0.18 C ATOM 1427 O LYS A 94 -4.811 10.659 -2.029 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.197 12.184 -0.796 1.00 0.29 C ATOM 1429 CG LYS A 94 -1.977 13.653 -1.193 1.00 0.38 C ATOM 1430 CD LYS A 94 -1.938 14.545 0.054 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.589 14.401 0.768 1.00 0.78 C ATOM 1432 NZ LYS A 94 0.518 14.699 -0.184 1.00 1.19 N ATOM 0 H LYS A 94 -1.074 12.638 -2.960 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.314 10.307 -1.885 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.011 12.108 -0.075 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.304 11.788 -0.312 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -1.043 13.751 -1.747 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.777 13.980 -1.857 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -2.098 15.585 -0.229 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -2.747 14.271 0.731 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.543 15.081 1.619 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.481 13.390 1.161 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.350 15.032 0.344 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 0.765 13.837 -0.711 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 0.213 15.437 -0.851 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.416 12.561 -3.029 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.865 12.720 -3.334 1.00 0.20 C ATOM 1448 C GLU A 95 -6.307 11.620 -4.308 1.00 0.17 C ATOM 1449 O GLU A 95 -7.455 11.223 -4.330 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.102 14.098 -3.967 1.00 0.24 C ATOM 1451 CG GLU A 95 -6.149 15.168 -2.872 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.428 16.533 -3.505 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -5.612 16.974 -4.296 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -7.453 17.113 -3.186 1.00 1.86 O ATOM 0 H GLU A 95 -3.811 13.314 -3.357 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.444 12.639 -2.414 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.306 14.325 -4.676 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.037 14.096 -4.527 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.925 14.927 -2.146 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.203 15.192 -2.331 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.404 11.126 -5.108 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.770 10.057 -6.079 1.00 0.14 C ATOM 1463 C LYS A 96 -6.100 8.775 -5.319 1.00 0.12 C ATOM 1464 O LYS A 96 -6.943 8.006 -5.731 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.604 9.816 -7.040 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.914 8.629 -7.955 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.865 8.545 -9.074 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.363 7.614 -10.182 1.00 1.18 C ATOM 1469 NZ LYS A 96 -3.421 7.667 -11.337 1.00 2.05 N ATOM 0 H LYS A 96 -4.427 11.417 -5.132 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.643 10.366 -6.654 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.425 10.709 -7.638 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.692 9.622 -6.476 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.918 7.705 -7.378 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.909 8.740 -8.385 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.672 9.538 -9.480 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -2.921 8.176 -8.673 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -4.439 6.593 -9.807 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -5.362 7.912 -10.500 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -3.629 6.885 -11.990 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -3.533 8.573 -11.835 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -2.444 7.580 -10.992 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.456 8.536 -4.208 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.765 7.299 -3.432 1.00 0.11 C ATOM 1485 C LEU A 97 -7.278 7.222 -3.214 1.00 0.11 C ATOM 1486 O LEU A 97 -7.869 6.159 -3.230 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.071 7.355 -2.060 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.598 6.947 -2.184 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.897 7.255 -0.855 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.483 5.435 -2.523 1.00 0.13 C ATOM 0 H LEU A 97 -4.736 9.137 -3.807 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.411 6.427 -3.982 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.142 8.363 -1.651 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.580 6.691 -1.361 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.123 7.507 -2.990 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.847 6.971 -0.923 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -2.972 8.322 -0.643 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.374 6.691 -0.053 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.432 5.160 -2.608 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.949 4.848 -1.731 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.988 5.235 -3.468 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.902 8.345 -3.000 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.376 8.350 -2.765 1.00 0.14 C ATOM 1504 C GLU A 98 -10.107 7.909 -4.037 1.00 0.13 C ATOM 1505 O GLU A 98 -10.839 6.940 -4.043 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.825 9.765 -2.383 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.239 9.719 -1.795 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.184 9.192 -0.359 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -10.105 8.823 0.074 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -12.221 9.169 0.283 1.00 2.15 O ATOM 0 H GLU A 98 -7.456 9.262 -2.977 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.614 7.658 -1.957 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.133 10.193 -1.657 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.807 10.412 -3.260 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.682 10.715 -1.810 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.876 9.077 -2.404 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.922 8.627 -5.110 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.609 8.273 -6.386 1.00 0.14 C ATOM 1519 C ALA A 99 -10.234 6.854 -6.829 1.00 0.12 C ATOM 1520 O ALA A 99 -11.059 6.121 -7.333 1.00 0.13 O ATOM 1521 CB ALA A 99 -10.196 9.269 -7.471 1.00 0.15 C ATOM 0 H ALA A 99 -9.321 9.449 -5.159 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.687 8.314 -6.228 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.695 9.016 -8.406 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.482 10.276 -7.168 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -9.116 9.226 -7.613 1.00 0.15 H new ATOM 1527 N THR A 100 -8.997 6.469 -6.669 1.00 0.11 N ATOM 1528 CA THR A 100 -8.577 5.104 -7.107 1.00 0.11 C ATOM 1529 C THR A 100 -9.238 4.040 -6.228 1.00 0.10 C ATOM 1530 O THR A 100 -9.749 3.051 -6.715 1.00 0.11 O ATOM 1531 CB THR A 100 -7.056 4.982 -7.005 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.454 6.014 -7.770 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.614 3.622 -7.547 1.00 0.12 C ATOM 0 H THR A 100 -8.259 7.038 -6.255 1.00 0.11 H new ATOM 0 HA THR A 100 -8.888 4.951 -8.140 1.00 0.11 H new ATOM 0 HB THR A 100 -6.751 5.071 -5.962 1.00 0.11 H new ATOM 0 HG1 THR A 100 -5.772 5.629 -8.359 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.530 3.536 -7.474 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.081 2.829 -6.964 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.916 3.531 -8.590 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.236 4.231 -4.939 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.868 3.223 -4.039 1.00 0.11 C ATOM 1543 C ILE A 101 -11.364 3.134 -4.356 1.00 0.13 C ATOM 1544 O ILE A 101 -11.901 2.064 -4.561 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.665 3.640 -2.568 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.191 3.415 -2.182 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.578 2.795 -1.662 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.833 4.205 -0.910 1.00 0.18 C ATOM 0 H ILE A 101 -8.826 5.038 -4.469 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.406 2.249 -4.196 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.918 4.693 -2.443 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.011 2.352 -2.018 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.544 3.725 -3.003 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.434 3.091 -0.623 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.619 2.955 -1.944 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.329 1.740 -1.777 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.787 4.031 -0.656 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -7.992 5.269 -1.086 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.466 3.875 -0.086 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.041 4.247 -4.389 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.501 4.221 -4.681 1.00 0.17 C ATOM 1562 C ASN A 102 -13.737 3.622 -6.068 1.00 0.18 C ATOM 1563 O ASN A 102 -14.834 3.220 -6.403 1.00 0.21 O ATOM 1564 CB ASN A 102 -14.049 5.649 -4.639 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.578 5.611 -4.630 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.198 5.427 -5.658 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.217 5.778 -3.504 1.00 1.03 N ATOM 0 H ASN A 102 -11.647 5.174 -4.226 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.011 3.611 -3.935 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.683 6.164 -3.751 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.694 6.211 -5.503 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.237 5.754 -3.488 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.697 5.933 -2.640 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.718 3.566 -6.877 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.878 3.001 -8.247 1.00 0.18 C ATOM 1576 C GLU A 103 -12.956 1.472 -8.178 1.00 0.19 C ATOM 1577 O GLU A 103 -13.930 0.869 -8.583 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.671 3.407 -9.104 1.00 0.17 C ATOM 1579 CG GLU A 103 -12.007 3.240 -10.589 1.00 0.22 C ATOM 1580 CD GLU A 103 -10.859 3.791 -11.436 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -10.887 4.972 -11.739 1.00 2.02 O ATOM 1582 OE2 GLU A 103 -9.971 3.022 -11.766 1.00 2.01 O ATOM 0 H GLU A 103 -11.777 3.888 -6.649 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.796 3.387 -8.689 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.399 4.442 -8.898 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.808 2.793 -8.846 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -12.171 2.187 -10.820 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.932 3.766 -10.825 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.921 0.844 -7.691 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.901 -0.648 -7.616 1.00 0.19 C ATOM 1591 C LEU A 104 -12.409 -1.121 -6.249 1.00 0.19 C ATOM 1592 O LEU A 104 -12.132 -2.226 -5.827 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.460 -1.128 -7.825 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.958 -0.702 -9.216 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.428 -0.758 -9.245 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.512 -1.642 -10.295 1.00 0.35 C ATOM 0 H LEU A 104 -11.081 1.303 -7.339 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.552 -1.060 -8.387 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.814 -0.711 -7.053 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.412 -2.213 -7.729 1.00 0.17 H new ATOM 0 HG LEU A 104 -10.300 0.314 -9.415 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -8.071 -0.456 -10.230 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -8.025 -0.082 -8.491 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.097 -1.775 -9.035 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -10.148 -1.328 -11.273 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.181 -2.661 -10.095 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.601 -1.606 -10.284 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.151 -0.302 -5.554 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.674 -0.727 -4.224 1.00 0.22 C ATOM 1610 C VAL A 105 -14.593 -1.938 -4.402 1.00 0.26 C ATOM 1611 O VAL A 105 -14.619 -2.773 -3.513 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.461 0.422 -3.593 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.592 0.844 -4.533 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.047 -0.037 -2.254 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.253 -2.010 -5.426 1.00 1.18 O ATOM 0 H VAL A 105 -13.417 0.638 -5.847 1.00 0.20 H new ATOM 0 HA VAL A 105 -12.841 -0.995 -3.575 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.797 1.270 -3.426 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.153 1.663 -4.083 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.172 1.172 -5.484 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.258 -0.002 -4.703 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.608 0.781 -1.803 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.711 -0.885 -2.419 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.239 -0.334 -1.586 1.00 0.27 H new TER 1625 VAL A 105 ATOM 1626 N PHE B 1 23.263 0.105 5.614 1.00 0.00 N ATOM 1627 CA PHE B 1 22.612 1.265 4.944 1.00 0.00 C ATOM 1628 C PHE B 1 21.204 0.861 4.486 1.00 0.00 C ATOM 1629 O PHE B 1 20.876 -0.307 4.427 1.00 0.00 O ATOM 1630 CB PHE B 1 23.461 1.696 3.735 1.00 0.00 C ATOM 1631 CG PHE B 1 23.263 0.722 2.594 1.00 0.00 C ATOM 1632 CD1 PHE B 1 23.948 -0.508 2.585 1.00 0.00 C ATOM 1633 CD2 PHE B 1 22.376 1.041 1.550 1.00 0.00 C ATOM 1634 CE1 PHE B 1 23.746 -1.418 1.527 1.00 0.00 C ATOM 1635 CE2 PHE B 1 22.169 0.133 0.496 1.00 0.00 C ATOM 1636 CZ PHE B 1 22.856 -1.097 0.483 1.00 0.00 C ATOM 0 H1 PHE B 1 24.106 0.430 6.130 1.00 0.00 H new ATOM 0 H2 PHE B 1 22.595 -0.330 6.282 1.00 0.00 H new ATOM 0 H3 PHE B 1 23.544 -0.596 4.899 1.00 0.00 H new ATOM 0 HA PHE B 1 22.534 2.101 5.639 1.00 0.00 H new ATOM 0 HB2 PHE B 1 23.178 2.701 3.420 1.00 0.00 H new ATOM 0 HB3 PHE B 1 24.514 1.734 4.014 1.00 0.00 H new ATOM 0 HD1 PHE B 1 24.627 -0.754 3.388 1.00 0.00 H new ATOM 0 HD2 PHE B 1 21.853 1.986 1.558 1.00 0.00 H new ATOM 0 HE1 PHE B 1 24.273 -2.361 1.517 1.00 0.00 H new ATOM 0 HE2 PHE B 1 21.484 0.378 -0.302 1.00 0.00 H new ATOM 0 HZ PHE B 1 22.700 -1.794 -0.327 1.00 0.00 H new ATOM 1648 N ARG B 2 20.370 1.818 4.161 1.00 0.00 N ATOM 1649 CA ARG B 2 18.981 1.488 3.704 1.00 0.00 C ATOM 1650 C ARG B 2 18.567 2.463 2.595 1.00 0.00 C ATOM 1651 O ARG B 2 17.574 3.154 2.702 1.00 0.00 O ATOM 1652 CB ARG B 2 18.012 1.613 4.884 1.00 0.00 C ATOM 1653 CG ARG B 2 18.370 0.577 5.953 1.00 0.00 C ATOM 1654 CD ARG B 2 17.370 0.665 7.108 1.00 0.00 C ATOM 1655 NE ARG B 2 15.981 0.563 6.580 1.00 0.00 N ATOM 1656 CZ ARG B 2 14.997 0.283 7.390 1.00 0.00 C ATOM 1657 NH1 ARG B 2 15.235 0.058 8.653 1.00 0.00 N ATOM 1658 NH2 ARG B 2 13.776 0.223 6.936 1.00 0.00 N ATOM 0 H ARG B 2 20.589 2.814 4.192 1.00 0.00 H new ATOM 0 HA ARG B 2 18.955 0.468 3.321 1.00 0.00 H new ATOM 0 HB2 ARG B 2 18.063 2.617 5.305 1.00 0.00 H new ATOM 0 HB3 ARG B 2 16.987 1.461 4.544 1.00 0.00 H new ATOM 0 HG2 ARG B 2 18.357 -0.424 5.522 1.00 0.00 H new ATOM 0 HG3 ARG B 2 19.381 0.753 6.320 1.00 0.00 H new ATOM 0 HD2 ARG B 2 17.556 -0.135 7.825 1.00 0.00 H new ATOM 0 HD3 ARG B 2 17.498 1.607 7.641 1.00 0.00 H new ATOM 0 HE ARG B 2 15.799 0.712 5.587 1.00 0.00 H new ATOM 0 HH11 ARG B 2 16.190 0.101 9.007 1.00 0.00 H new ATOM 0 HH12 ARG B 2 14.466 -0.161 9.286 1.00 0.00 H new ATOM 0 HH21 ARG B 2 13.590 0.395 5.948 1.00 0.00 H new ATOM 0 HH22 ARG B 2 13.007 0.004 7.569 1.00 0.00 H new ATOM 1672 N PHE B 3 19.326 2.514 1.526 1.00 0.00 N ATOM 1673 CA PHE B 3 19.003 3.434 0.387 1.00 0.00 C ATOM 1674 C PHE B 3 18.753 2.606 -0.869 1.00 0.00 C ATOM 1675 O PHE B 3 19.169 1.469 -0.965 1.00 0.00 O ATOM 1676 CB PHE B 3 20.189 4.364 0.129 1.00 0.00 C ATOM 1677 CG PHE B 3 20.308 5.360 1.259 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.813 4.948 2.508 1.00 0.00 C ATOM 1679 CD2 PHE B 3 19.922 6.699 1.062 1.00 0.00 C ATOM 1680 CE1 PHE B 3 20.931 5.876 3.559 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.039 7.628 2.114 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.545 7.217 3.363 1.00 0.00 C ATOM 0 H PHE B 3 20.166 1.951 1.392 1.00 0.00 H new ATOM 0 HA PHE B 3 18.118 4.020 0.636 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.108 3.783 0.044 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.054 4.887 -0.818 1.00 0.00 H new ATOM 0 HD1 PHE B 3 21.109 3.920 2.659 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.536 7.014 0.104 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.318 5.560 4.517 1.00 0.00 H new ATOM 0 HE2 PHE B 3 19.741 8.655 1.963 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.637 7.929 4.170 1.00 0.00 H new ATOM 1692 N ARG B 4 18.088 3.165 -1.843 1.00 0.00 N ATOM 1693 CA ARG B 4 17.828 2.398 -3.095 1.00 0.00 C ATOM 1694 C ARG B 4 17.734 3.374 -4.283 1.00 0.00 C ATOM 1695 O ARG B 4 18.715 3.622 -4.956 1.00 0.00 O ATOM 1696 CB ARG B 4 16.524 1.578 -2.922 1.00 0.00 C ATOM 1697 CG ARG B 4 16.751 0.087 -3.253 1.00 0.00 C ATOM 1698 CD ARG B 4 17.460 -0.088 -4.625 1.00 0.00 C ATOM 1699 NE ARG B 4 16.673 -1.019 -5.497 1.00 0.00 N ATOM 1700 CZ ARG B 4 16.253 -2.170 -5.046 1.00 0.00 C ATOM 1701 NH1 ARG B 4 16.580 -2.559 -3.844 1.00 0.00 N ATOM 1702 NH2 ARG B 4 15.517 -2.935 -5.803 1.00 0.00 N ATOM 0 H ARG B 4 17.715 4.114 -1.827 1.00 0.00 H new ATOM 0 HA ARG B 4 18.644 1.704 -3.297 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.164 1.675 -1.898 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.748 1.983 -3.572 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.353 -0.374 -2.469 1.00 0.00 H new ATOM 0 HG3 ARG B 4 15.794 -0.434 -3.267 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.565 0.880 -5.115 1.00 0.00 H new ATOM 0 HD3 ARG B 4 18.466 -0.480 -4.476 1.00 0.00 H new ATOM 0 HE ARG B 4 16.462 -0.749 -6.458 1.00 0.00 H new ATOM 0 HH11 ARG B 4 17.164 -1.964 -3.257 1.00 0.00 H new ATOM 0 HH12 ARG B 4 16.252 -3.458 -3.492 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.270 -2.634 -6.746 1.00 0.00 H new ATOM 0 HH22 ARG B 4 15.188 -3.835 -5.452 1.00 0.00 H new ATOM 1716 N TYR B 5 16.570 3.928 -4.543 1.00 0.00 N ATOM 1717 CA TYR B 5 16.409 4.888 -5.686 1.00 0.00 C ATOM 1718 C TYR B 5 15.811 6.213 -5.188 1.00 0.00 C ATOM 1719 O TYR B 5 15.689 6.447 -4.003 1.00 0.00 O ATOM 1720 CB TYR B 5 15.533 4.260 -6.789 1.00 0.00 C ATOM 1721 CG TYR B 5 14.422 3.428 -6.200 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.648 2.077 -5.883 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.157 3.990 -6.004 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.608 1.291 -5.354 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.112 3.209 -5.481 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.339 1.857 -5.149 1.00 0.00 C ATOM 1727 OH TYR B 5 11.319 1.088 -4.623 1.00 0.00 O ATOM 0 H TYR B 5 15.719 3.755 -4.008 1.00 0.00 H new ATOM 0 HA TYR B 5 17.389 5.101 -6.113 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.109 5.048 -7.412 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.151 3.639 -7.437 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.623 1.641 -6.046 1.00 0.00 H new ATOM 0 HD2 TYR B 5 12.982 5.026 -6.255 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.785 0.255 -5.106 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.135 3.644 -5.333 1.00 0.00 H new ATOM 0 HH TYR B 5 11.649 0.182 -4.448 1.00 0.00 H new ATOM 1737 N VAL B 6 15.502 7.101 -6.095 1.00 0.00 N ATOM 1738 CA VAL B 6 14.981 8.448 -5.702 1.00 0.00 C ATOM 1739 C VAL B 6 13.541 8.392 -5.191 1.00 0.00 C ATOM 1740 O VAL B 6 12.734 7.590 -5.623 1.00 0.00 O ATOM 1741 CB VAL B 6 15.027 9.374 -6.922 1.00 0.00 C ATOM 1742 CG1 VAL B 6 15.011 10.835 -6.465 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.298 9.104 -7.718 1.00 0.00 C ATOM 0 H VAL B 6 15.588 6.952 -7.100 1.00 0.00 H new ATOM 0 HA VAL B 6 15.610 8.819 -4.893 1.00 0.00 H new ATOM 0 HB VAL B 6 14.156 9.184 -7.550 1.00 0.00 H new ATOM 0 HG11 VAL B 6 15.044 11.489 -7.336 1.00 0.00 H new ATOM 0 HG12 VAL B 6 14.100 11.029 -5.899 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.878 11.028 -5.833 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.331 9.763 -8.586 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.168 9.290 -7.088 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.306 8.066 -8.050 1.00 0.00 H new ATOM 1753 N CYS B 7 13.211 9.293 -4.297 1.00 0.00 N ATOM 1754 CA CYS B 7 11.823 9.376 -3.760 1.00 0.00 C ATOM 1755 C CYS B 7 11.103 10.531 -4.458 1.00 0.00 C ATOM 1756 O CYS B 7 11.232 11.673 -4.069 1.00 0.00 O ATOM 1757 CB CYS B 7 11.857 9.638 -2.248 1.00 0.00 C ATOM 1758 SG CYS B 7 13.185 8.682 -1.476 1.00 0.00 S ATOM 0 H CYS B 7 13.857 9.983 -3.913 1.00 0.00 H new ATOM 0 HA CYS B 7 11.302 8.436 -3.942 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.008 10.701 -2.059 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.899 9.368 -1.803 1.00 0.00 H new ATOM 1763 N GLU B 8 10.360 10.253 -5.496 1.00 0.00 N ATOM 1764 CA GLU B 8 9.656 11.355 -6.216 1.00 0.00 C ATOM 1765 C GLU B 8 8.332 11.685 -5.521 1.00 0.00 C ATOM 1766 O GLU B 8 7.324 11.943 -6.157 1.00 0.00 O ATOM 1767 CB GLU B 8 9.391 10.944 -7.668 1.00 0.00 C ATOM 1768 CG GLU B 8 8.927 9.483 -7.720 1.00 0.00 C ATOM 1769 CD GLU B 8 8.211 9.219 -9.049 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.702 9.679 -10.066 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.185 8.559 -9.025 1.00 0.00 O ATOM 0 H GLU B 8 10.210 9.318 -5.875 1.00 0.00 H new ATOM 0 HA GLU B 8 10.290 12.241 -6.203 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.631 11.592 -8.106 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.297 11.068 -8.262 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.782 8.815 -7.617 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.257 9.274 -6.886 1.00 0.00 H new ATOM 1778 N GLY B 9 8.330 11.719 -4.224 1.00 0.00 N ATOM 1779 CA GLY B 9 7.081 12.078 -3.506 1.00 0.00 C ATOM 1780 C GLY B 9 6.815 13.572 -3.788 1.00 0.00 C ATOM 1781 O GLY B 9 6.863 13.967 -4.934 1.00 0.00 O ATOM 0 H GLY B 9 9.134 11.515 -3.631 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.248 11.466 -3.851 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.186 11.900 -2.436 1.00 0.00 H new ATOM 1785 N PRO B 10 6.575 14.390 -2.775 1.00 0.00 N ATOM 1786 CA PRO B 10 6.357 15.833 -3.011 1.00 0.00 C ATOM 1787 C PRO B 10 7.664 16.463 -3.523 1.00 0.00 C ATOM 1788 O PRO B 10 7.886 17.652 -3.394 1.00 0.00 O ATOM 1789 CB PRO B 10 5.957 16.409 -1.629 1.00 0.00 C ATOM 1790 CG PRO B 10 6.065 15.251 -0.594 1.00 0.00 C ATOM 1791 CD PRO B 10 6.486 13.977 -1.360 1.00 0.00 C ATOM 0 HA PRO B 10 5.589 16.036 -3.758 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.614 17.234 -1.352 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.942 16.805 -1.657 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.796 15.494 0.177 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.111 15.097 -0.091 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.442 13.598 -0.999 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.756 13.178 -1.228 1.00 0.00 H new ATOM 1799 N SER B 11 8.534 15.665 -4.087 1.00 0.00 N ATOM 1800 CA SER B 11 9.839 16.181 -4.597 1.00 0.00 C ATOM 1801 C SER B 11 9.783 16.337 -6.119 1.00 0.00 C ATOM 1802 O SER B 11 10.792 16.541 -6.764 1.00 0.00 O ATOM 1803 CB SER B 11 10.937 15.179 -4.233 1.00 0.00 C ATOM 1804 OG SER B 11 12.208 15.770 -4.464 1.00 0.00 O ATOM 0 H SER B 11 8.393 14.663 -4.217 1.00 0.00 H new ATOM 0 HA SER B 11 10.048 17.152 -4.149 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.845 14.885 -3.188 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.831 14.273 -4.830 1.00 0.00 H new ATOM 0 HG SER B 11 12.202 16.230 -5.329 1.00 0.00 H new ATOM 1810 N HIS B 12 8.618 16.239 -6.702 1.00 0.00 N ATOM 1811 CA HIS B 12 8.513 16.380 -8.185 1.00 0.00 C ATOM 1812 C HIS B 12 7.104 16.851 -8.554 1.00 0.00 C ATOM 1813 O HIS B 12 6.120 16.230 -8.207 1.00 0.00 O ATOM 1814 CB HIS B 12 8.789 15.028 -8.848 1.00 0.00 C ATOM 1815 CG HIS B 12 8.989 15.220 -10.327 1.00 0.00 C ATOM 1816 ND1 HIS B 12 7.944 15.541 -11.179 1.00 0.00 N ATOM 1817 CD2 HIS B 12 10.107 15.135 -11.119 1.00 0.00 C ATOM 1818 CE1 HIS B 12 8.451 15.638 -12.422 1.00 0.00 C ATOM 1819 NE2 HIS B 12 9.765 15.399 -12.443 1.00 0.00 N ATOM 0 H HIS B 12 7.737 16.068 -6.218 1.00 0.00 H new ATOM 0 HA HIS B 12 9.243 17.110 -8.533 1.00 0.00 H new ATOM 0 HB2 HIS B 12 9.675 14.570 -8.408 1.00 0.00 H new ATOM 0 HB3 HIS B 12 7.956 14.348 -8.669 1.00 0.00 H new ATOM 0 HD2 HIS B 12 11.101 14.899 -10.769 1.00 0.00 H new ATOM 0 HE1 HIS B 12 7.866 15.880 -13.297 1.00 0.00 H new ATOM 0 HE2 HIS B 12 10.384 15.408 -13.254 1.00 0.00 H new ATOM 1827 N GLY B 13 7.002 17.948 -9.256 1.00 0.00 N ATOM 1828 CA GLY B 13 5.657 18.461 -9.646 1.00 0.00 C ATOM 1829 C GLY B 13 4.851 18.788 -8.388 1.00 0.00 C ATOM 1830 O GLY B 13 3.882 18.091 -8.132 1.00 0.00 O ATOM 1831 OXT GLY B 13 5.215 19.729 -7.702 1.00 0.00 O ATOM 0 H GLY B 13 7.791 18.510 -9.576 1.00 0.00 H new ATOM 0 HA2 GLY B 13 5.761 19.352 -10.266 1.00 0.00 H new ATOM 0 HA3 GLY B 13 5.132 17.717 -10.244 1.00 0.00 H new TER 1835 GLY B 13 HETATM 1836 O HOH A 106 -6.951 -10.594 -1.598 1.00 0.24 O HETATM 1839 O HOH A 107 8.907 -3.218 4.871 1.00 0.40 O HETATM 1842 O HOH A 108 12.610 1.394 2.249 1.00 0.32 O HETATM 1845 O HOH A 109 -8.956 -8.723 -0.328 1.00 0.26 O HETATM 1848 O HOH A 110 -7.439 -13.027 0.438 1.00 0.21 O HETATM 1851 O HOH A 111 -12.163 -2.925 0.183 1.00 0.37 O