USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 12 HIS : no HE2:sc= -1.26 K(o=-2.3,f=-3.4) USER MOD Set 1.2: B 16 HIS : no HD1:sc= -1.25 K(o=-2.3,f=-3.7!) USER MOD Set 1.3: B 40 CYS SG : rot 140:sc= 1.02 USER MOD Set 1.4: B 43 CYS SG : rot 79:sc= -0.771 USER MOD Set 2.1: A 12 HIS : no HE2:sc= -1.3 K(o=-2.5,f=-3.4) USER MOD Set 2.2: A 16 HIS : no HD1:sc= -1.29 K(o=-2.5,f=-3.8!) USER MOD Set 2.3: A 40 CYS SG : rot 140:sc= 0.991 USER MOD Set 2.4: A 43 CYS SG : rot 75:sc= -0.914 USER MOD Single : A 1 PHE N :NH3+ 152:sc= 0.349 (180deg=0.0904) USER MOD Single : A 7 LYS NZ :NH3+ 166:sc=-0.00342 (180deg=-0.199) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 14 LYS NZ :NH3+ 157:sc= -0.104 (180deg=-0.812) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -72:sc= 0.677 USER MOD Single : A 18 ASN : amide:sc= -0.0103 K(o=-0.01,f=-1.5!) USER MOD Single : A 22 MET CE :methyl 162:sc= -0.245 (180deg=-1.32) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 138:sc= 1.13 USER MOD Single : A 42 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.129) USER MOD Single : A 44 GLN : amide:sc= -0.566 K(o=-0.57,f=-2.3!) USER MOD Single : B 1 PHE N :NH3+ 151:sc= 0.368 (180deg=0.0924) USER MOD Single : B 7 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.22) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 14 LYS NZ :NH3+ 158:sc= -0.181 (180deg=-0.798) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -55:sc= 0.608 USER MOD Single : B 18 ASN : amide:sc= -0.0129 K(o=-0.013,f=-1.4!) USER MOD Single : B 22 MET CE :methyl 162:sc= -0.151 (180deg=-1.25) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 126:sc= 1.23 USER MOD Single : B 42 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.113) USER MOD Single : B 44 GLN : amide:sc= -2.4! K(o=-2.4!,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.543 -3.771 24.060 1.00 0.00 N ATOM 2 CA PHE A 1 94.221 -4.425 25.359 1.00 0.00 C ATOM 3 C PHE A 1 93.860 -3.357 26.400 1.00 0.00 C ATOM 4 O PHE A 1 92.717 -2.972 26.541 1.00 0.00 O ATOM 5 CB PHE A 1 95.437 -5.216 25.852 1.00 0.00 C ATOM 6 CG PHE A 1 95.589 -6.486 25.048 1.00 0.00 C ATOM 7 CD1 PHE A 1 94.959 -7.663 25.471 1.00 0.00 C ATOM 8 CD2 PHE A 1 96.367 -6.489 23.883 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.105 -8.842 24.731 1.00 0.00 C ATOM 10 CE2 PHE A 1 96.514 -7.670 23.143 1.00 0.00 C ATOM 11 CZ PHE A 1 95.883 -8.845 23.567 1.00 0.00 C ATOM 0 H1 PHE A 1 95.210 -4.366 23.528 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.671 -3.649 23.507 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.974 -2.841 24.237 1.00 0.00 H new ATOM 0 HA PHE A 1 93.376 -5.100 25.219 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.337 -4.608 25.761 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.320 -5.457 26.909 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.360 -7.661 26.369 1.00 0.00 H new ATOM 0 HD2 PHE A 1 96.853 -5.582 23.555 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.618 -9.749 25.058 1.00 0.00 H new ATOM 0 HE2 PHE A 1 97.114 -7.673 22.245 1.00 0.00 H new ATOM 0 HZ PHE A 1 95.996 -9.755 22.996 1.00 0.00 H new ATOM 23 N LEU A 2 94.832 -2.895 27.138 1.00 0.00 N ATOM 24 CA LEU A 2 94.564 -1.867 28.188 1.00 0.00 C ATOM 25 C LEU A 2 93.990 -0.589 27.571 1.00 0.00 C ATOM 26 O LEU A 2 93.091 0.020 28.115 1.00 0.00 O ATOM 27 CB LEU A 2 95.878 -1.528 28.898 1.00 0.00 C ATOM 28 CG LEU A 2 96.420 -2.765 29.632 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.889 -2.533 29.993 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.622 -3.018 30.923 1.00 0.00 C ATOM 0 H LEU A 2 95.806 -3.186 27.060 1.00 0.00 H new ATOM 0 HA LEU A 2 93.837 -2.271 28.893 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.612 -1.176 28.172 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.717 -0.716 29.608 1.00 0.00 H new ATOM 0 HG LEU A 2 96.323 -3.632 28.978 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.278 -3.408 30.514 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.465 -2.366 29.083 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.971 -1.659 30.640 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.019 -3.897 31.430 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.707 -2.152 31.579 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.573 -3.184 30.676 1.00 0.00 H new ATOM 42 N ASP A 3 94.506 -0.165 26.451 1.00 0.00 N ATOM 43 CA ASP A 3 93.988 1.088 25.828 1.00 0.00 C ATOM 44 C ASP A 3 92.521 0.913 25.441 1.00 0.00 C ATOM 45 O ASP A 3 91.709 1.797 25.627 1.00 0.00 O ATOM 46 CB ASP A 3 94.801 1.405 24.577 1.00 0.00 C ATOM 47 CG ASP A 3 96.194 1.891 24.978 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.278 2.692 25.896 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.153 1.457 24.362 1.00 0.00 O ATOM 0 H ASP A 3 95.259 -0.627 25.942 1.00 0.00 H new ATOM 0 HA ASP A 3 94.076 1.904 26.545 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.882 0.518 23.949 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.295 2.169 23.986 1.00 0.00 H new ATOM 54 N GLY A 4 92.173 -0.224 24.911 1.00 0.00 N ATOM 55 CA GLY A 4 90.755 -0.456 24.520 1.00 0.00 C ATOM 56 C GLY A 4 89.876 -0.376 25.766 1.00 0.00 C ATOM 57 O GLY A 4 88.776 0.139 25.734 1.00 0.00 O ATOM 0 H GLY A 4 92.807 -1.002 24.731 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.440 0.288 23.788 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.650 -1.432 24.047 1.00 0.00 H new ATOM 61 N ILE A 5 90.357 -0.888 26.864 1.00 0.00 N ATOM 62 CA ILE A 5 89.560 -0.854 28.119 1.00 0.00 C ATOM 63 C ILE A 5 89.383 0.591 28.597 1.00 0.00 C ATOM 64 O ILE A 5 88.334 0.965 29.081 1.00 0.00 O ATOM 65 CB ILE A 5 90.276 -1.670 29.204 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.205 -3.160 28.845 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.603 -1.430 30.560 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.089 -3.967 29.802 1.00 0.00 C ATOM 0 H ILE A 5 91.272 -1.330 26.945 1.00 0.00 H new ATOM 0 HA ILE A 5 88.577 -1.284 27.925 1.00 0.00 H new ATOM 0 HB ILE A 5 91.319 -1.360 29.266 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.174 -3.509 28.905 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.533 -3.312 27.817 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.114 -2.011 31.328 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.657 -0.371 30.811 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.559 -1.738 30.507 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.035 -5.024 29.543 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.121 -3.625 29.720 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.741 -3.826 30.825 1.00 0.00 H new ATOM 80 N ASP A 6 90.399 1.399 28.492 1.00 0.00 N ATOM 81 CA ASP A 6 90.269 2.803 28.976 1.00 0.00 C ATOM 82 C ASP A 6 89.149 3.512 28.213 1.00 0.00 C ATOM 83 O ASP A 6 88.309 4.165 28.801 1.00 0.00 O ATOM 84 CB ASP A 6 91.591 3.545 28.761 1.00 0.00 C ATOM 85 CG ASP A 6 91.457 4.987 29.257 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.353 5.376 29.601 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.463 5.677 29.288 1.00 0.00 O ATOM 0 H ASP A 6 91.306 1.153 28.096 1.00 0.00 H new ATOM 0 HA ASP A 6 90.028 2.796 30.039 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.395 3.039 29.296 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.857 3.537 27.704 1.00 0.00 H new ATOM 92 N LYS A 7 89.114 3.390 26.917 1.00 0.00 N ATOM 93 CA LYS A 7 88.027 4.062 26.148 1.00 0.00 C ATOM 94 C LYS A 7 86.698 3.364 26.444 1.00 0.00 C ATOM 95 O LYS A 7 85.668 3.993 26.589 1.00 0.00 O ATOM 96 CB LYS A 7 88.322 3.978 24.649 1.00 0.00 C ATOM 97 CG LYS A 7 89.533 4.853 24.316 1.00 0.00 C ATOM 98 CD LYS A 7 89.828 4.769 22.817 1.00 0.00 C ATOM 99 CE LYS A 7 91.039 5.644 22.488 1.00 0.00 C ATOM 100 NZ LYS A 7 92.272 4.998 23.017 1.00 0.00 N ATOM 0 H LYS A 7 89.783 2.860 26.359 1.00 0.00 H new ATOM 0 HA LYS A 7 87.969 5.110 26.443 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.518 2.944 24.364 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.454 4.308 24.078 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.337 5.887 24.601 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.401 4.523 24.887 1.00 0.00 H new ATOM 0 HD2 LYS A 7 90.024 3.736 22.531 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.961 5.099 22.245 1.00 0.00 H new ATOM 0 HE2 LYS A 7 91.121 5.781 21.410 1.00 0.00 H new ATOM 0 HE3 LYS A 7 90.917 6.634 22.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 93.109 5.453 22.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 92.301 5.101 24.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 92.268 3.988 22.770 1.00 0.00 H new ATOM 114 N ALA A 8 86.720 2.064 26.530 1.00 0.00 N ATOM 115 CA ALA A 8 85.472 1.301 26.815 1.00 0.00 C ATOM 116 C ALA A 8 85.001 1.578 28.245 1.00 0.00 C ATOM 117 O ALA A 8 83.819 1.651 28.519 1.00 0.00 O ATOM 118 CB ALA A 8 85.749 -0.195 26.649 1.00 0.00 C ATOM 0 H ALA A 8 87.556 1.492 26.414 1.00 0.00 H new ATOM 0 HA ALA A 8 84.693 1.613 26.120 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.839 -0.759 26.856 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.074 -0.394 25.628 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.531 -0.500 27.345 1.00 0.00 H new ATOM 124 N GLN A 9 85.917 1.714 29.163 1.00 0.00 N ATOM 125 CA GLN A 9 85.534 1.964 30.583 1.00 0.00 C ATOM 126 C GLN A 9 84.782 3.295 30.702 1.00 0.00 C ATOM 127 O GLN A 9 85.204 4.308 30.181 1.00 0.00 O ATOM 128 CB GLN A 9 86.807 2.015 31.434 1.00 0.00 C ATOM 129 CG GLN A 9 86.448 2.221 32.907 1.00 0.00 C ATOM 130 CD GLN A 9 87.731 2.257 33.740 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.807 2.449 33.208 1.00 0.00 O ATOM 132 NE2 GLN A 9 87.665 2.081 35.030 1.00 0.00 N ATOM 0 H GLN A 9 86.921 1.663 28.991 1.00 0.00 H new ATOM 0 HA GLN A 9 84.882 1.163 30.931 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.370 1.089 31.315 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.450 2.826 31.092 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.894 3.151 33.031 1.00 0.00 H new ATOM 0 HG3 GLN A 9 85.800 1.415 33.251 1.00 0.00 H new ATOM 0 HE21 GLN A 9 86.763 1.920 35.477 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.516 2.104 35.592 1.00 0.00 H new ATOM 141 N GLU A 10 83.673 3.299 31.399 1.00 0.00 N ATOM 142 CA GLU A 10 82.892 4.560 31.572 1.00 0.00 C ATOM 143 C GLU A 10 81.998 4.431 32.816 1.00 0.00 C ATOM 144 O GLU A 10 82.335 3.749 33.763 1.00 0.00 O ATOM 145 CB GLU A 10 82.029 4.815 30.322 1.00 0.00 C ATOM 146 CG GLU A 10 81.769 6.321 30.158 1.00 0.00 C ATOM 147 CD GLU A 10 83.007 6.997 29.567 1.00 0.00 C ATOM 148 OE1 GLU A 10 84.071 6.404 29.632 1.00 0.00 O ATOM 149 OE2 GLU A 10 82.870 8.098 29.058 1.00 0.00 O ATOM 0 H GLU A 10 83.274 2.479 31.857 1.00 0.00 H new ATOM 0 HA GLU A 10 83.574 5.400 31.702 1.00 0.00 H new ATOM 0 HB2 GLU A 10 82.533 4.427 29.437 1.00 0.00 H new ATOM 0 HB3 GLU A 10 81.082 4.282 30.409 1.00 0.00 H new ATOM 0 HG2 GLU A 10 80.909 6.483 29.508 1.00 0.00 H new ATOM 0 HG3 GLU A 10 81.526 6.765 31.123 1.00 0.00 H new ATOM 156 N GLU A 11 80.862 5.080 32.822 1.00 0.00 N ATOM 157 CA GLU A 11 79.950 4.994 34.002 1.00 0.00 C ATOM 158 C GLU A 11 79.132 3.702 33.938 1.00 0.00 C ATOM 159 O GLU A 11 78.907 3.149 32.880 1.00 0.00 O ATOM 160 CB GLU A 11 78.998 6.193 34.007 1.00 0.00 C ATOM 161 CG GLU A 11 79.767 7.463 34.376 1.00 0.00 C ATOM 162 CD GLU A 11 78.861 8.680 34.179 1.00 0.00 C ATOM 163 OE1 GLU A 11 78.063 8.657 33.256 1.00 0.00 O ATOM 164 OE2 GLU A 11 78.979 9.613 34.956 1.00 0.00 O ATOM 0 H GLU A 11 80.526 5.667 32.059 1.00 0.00 H new ATOM 0 HA GLU A 11 80.550 4.998 34.912 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.538 6.308 33.026 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.191 6.025 34.720 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.103 7.410 35.411 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.658 7.555 33.756 1.00 0.00 H new ATOM 171 N HIS A 12 78.681 3.223 35.066 1.00 0.00 N ATOM 172 CA HIS A 12 77.870 1.972 35.079 1.00 0.00 C ATOM 173 C HIS A 12 76.481 2.267 34.502 1.00 0.00 C ATOM 174 O HIS A 12 75.518 2.431 35.225 1.00 0.00 O ATOM 175 CB HIS A 12 77.735 1.481 36.523 1.00 0.00 C ATOM 176 CG HIS A 12 76.935 0.207 36.563 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.513 -1.041 36.366 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.606 -0.029 36.807 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.540 -1.966 36.501 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.362 -1.399 36.770 1.00 0.00 N ATOM 0 H HIS A 12 78.840 3.645 35.981 1.00 0.00 H new ATOM 0 HA HIS A 12 78.356 1.205 34.477 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.723 1.313 36.952 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.249 2.244 37.131 1.00 0.00 H new ATOM 0 HD1 HIS A 12 78.494 -1.225 36.157 1.00 0.00 H new ATOM 0 HD2 HIS A 12 74.863 0.731 36.998 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.695 -3.030 36.404 1.00 0.00 H new ATOM 188 N GLU A 13 76.376 2.343 33.200 1.00 0.00 N ATOM 189 CA GLU A 13 75.058 2.638 32.553 1.00 0.00 C ATOM 190 C GLU A 13 74.428 1.339 32.035 1.00 0.00 C ATOM 191 O GLU A 13 74.722 0.259 32.510 1.00 0.00 O ATOM 192 CB GLU A 13 75.276 3.588 31.372 1.00 0.00 C ATOM 193 CG GLU A 13 75.842 4.919 31.868 1.00 0.00 C ATOM 194 CD GLU A 13 76.042 5.855 30.673 1.00 0.00 C ATOM 195 OE1 GLU A 13 77.081 5.765 30.042 1.00 0.00 O ATOM 196 OE2 GLU A 13 75.148 6.642 30.408 1.00 0.00 O ATOM 0 H GLU A 13 77.152 2.213 32.551 1.00 0.00 H new ATOM 0 HA GLU A 13 74.395 3.097 33.287 1.00 0.00 H new ATOM 0 HB2 GLU A 13 75.961 3.137 30.654 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.333 3.756 30.851 1.00 0.00 H new ATOM 0 HG2 GLU A 13 75.162 5.371 32.590 1.00 0.00 H new ATOM 0 HG3 GLU A 13 76.790 4.757 32.381 1.00 0.00 H new ATOM 203 N LYS A 14 73.563 1.442 31.058 1.00 0.00 N ATOM 204 CA LYS A 14 72.904 0.230 30.492 1.00 0.00 C ATOM 205 C LYS A 14 73.939 -0.589 29.721 1.00 0.00 C ATOM 206 O LYS A 14 73.854 -1.797 29.636 1.00 0.00 O ATOM 207 CB LYS A 14 71.796 0.662 29.528 1.00 0.00 C ATOM 208 CG LYS A 14 70.654 1.307 30.310 1.00 0.00 C ATOM 209 CD LYS A 14 69.551 1.737 29.341 1.00 0.00 C ATOM 210 CE LYS A 14 68.413 2.388 30.128 1.00 0.00 C ATOM 211 NZ LYS A 14 68.950 3.552 30.889 1.00 0.00 N ATOM 0 H LYS A 14 73.284 2.323 30.626 1.00 0.00 H new ATOM 0 HA LYS A 14 72.481 -0.368 31.299 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.192 1.367 28.797 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.427 -0.201 28.973 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.256 0.603 31.041 1.00 0.00 H new ATOM 0 HG3 LYS A 14 71.021 2.170 30.866 1.00 0.00 H new ATOM 0 HD2 LYS A 14 69.949 2.438 28.607 1.00 0.00 H new ATOM 0 HD3 LYS A 14 69.179 0.874 28.789 1.00 0.00 H new ATOM 0 HE2 LYS A 14 67.625 2.714 29.449 1.00 0.00 H new ATOM 0 HE3 LYS A 14 67.967 1.665 30.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 68.177 4.215 31.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 69.374 3.219 31.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 69.674 4.035 30.320 1.00 0.00 H new ATOM 225 N TYR A 15 74.910 0.066 29.151 1.00 0.00 N ATOM 226 CA TYR A 15 75.950 -0.666 28.378 1.00 0.00 C ATOM 227 C TYR A 15 76.658 -1.657 29.304 1.00 0.00 C ATOM 228 O TYR A 15 76.957 -2.771 28.921 1.00 0.00 O ATOM 229 CB TYR A 15 76.966 0.336 27.818 1.00 0.00 C ATOM 230 CG TYR A 15 76.380 1.028 26.609 1.00 0.00 C ATOM 231 CD1 TYR A 15 76.468 0.427 25.347 1.00 0.00 C ATOM 232 CD2 TYR A 15 75.746 2.268 26.753 1.00 0.00 C ATOM 233 CE1 TYR A 15 75.921 1.069 24.228 1.00 0.00 C ATOM 234 CE2 TYR A 15 75.200 2.908 25.635 1.00 0.00 C ATOM 235 CZ TYR A 15 75.287 2.309 24.372 1.00 0.00 C ATOM 236 OH TYR A 15 74.749 2.942 23.270 1.00 0.00 O ATOM 0 H TYR A 15 75.029 1.078 29.187 1.00 0.00 H new ATOM 0 HA TYR A 15 75.486 -1.207 27.553 1.00 0.00 H new ATOM 0 HB2 TYR A 15 77.226 1.071 28.580 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.887 -0.179 27.544 1.00 0.00 H new ATOM 0 HD1 TYR A 15 76.957 -0.530 25.236 1.00 0.00 H new ATOM 0 HD2 TYR A 15 75.678 2.730 27.727 1.00 0.00 H new ATOM 0 HE1 TYR A 15 75.988 0.607 23.254 1.00 0.00 H new ATOM 0 HE2 TYR A 15 74.711 3.865 25.746 1.00 0.00 H new ATOM 0 HH TYR A 15 74.346 3.792 23.545 1.00 0.00 H new ATOM 246 N HIS A 16 76.924 -1.266 30.520 1.00 0.00 N ATOM 247 CA HIS A 16 77.607 -2.196 31.460 1.00 0.00 C ATOM 248 C HIS A 16 76.748 -3.451 31.648 1.00 0.00 C ATOM 249 O HIS A 16 77.256 -4.555 31.692 1.00 0.00 O ATOM 250 CB HIS A 16 77.813 -1.499 32.817 1.00 0.00 C ATOM 251 CG HIS A 16 79.082 -0.686 32.796 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.891 -0.553 33.918 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.702 0.027 31.798 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.943 0.212 33.570 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.873 0.589 32.292 1.00 0.00 N ATOM 0 H HIS A 16 76.699 -0.347 30.901 1.00 0.00 H new ATOM 0 HA HIS A 16 78.577 -2.479 31.052 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.962 -0.854 33.036 1.00 0.00 H new ATOM 0 HB3 HIS A 16 77.862 -2.243 33.613 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.336 0.134 30.787 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.743 0.486 34.241 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.540 1.169 31.783 1.00 0.00 H new ATOM 263 N SER A 17 75.456 -3.302 31.756 1.00 0.00 N ATOM 264 CA SER A 17 74.599 -4.507 31.934 1.00 0.00 C ATOM 265 C SER A 17 74.779 -5.425 30.724 1.00 0.00 C ATOM 266 O SER A 17 75.016 -6.608 30.861 1.00 0.00 O ATOM 267 CB SER A 17 73.133 -4.089 32.054 1.00 0.00 C ATOM 268 OG SER A 17 72.713 -3.482 30.839 1.00 0.00 O ATOM 0 H SER A 17 74.962 -2.410 31.729 1.00 0.00 H new ATOM 0 HA SER A 17 74.889 -5.034 32.843 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.513 -4.958 32.272 1.00 0.00 H new ATOM 0 HB3 SER A 17 73.009 -3.392 32.883 1.00 0.00 H new ATOM 0 HG SER A 17 73.125 -2.597 30.756 1.00 0.00 H new ATOM 274 N ASN A 18 74.684 -4.883 29.537 1.00 0.00 N ATOM 275 CA ASN A 18 74.866 -5.719 28.311 1.00 0.00 C ATOM 276 C ASN A 18 76.319 -5.603 27.844 1.00 0.00 C ATOM 277 O ASN A 18 76.666 -4.724 27.080 1.00 0.00 O ATOM 278 CB ASN A 18 73.941 -5.208 27.204 1.00 0.00 C ATOM 279 CG ASN A 18 72.484 -5.470 27.591 1.00 0.00 C ATOM 280 OD1 ASN A 18 72.196 -6.377 28.346 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.545 -4.705 27.102 1.00 0.00 N ATOM 0 H ASN A 18 74.488 -3.897 29.363 1.00 0.00 H new ATOM 0 HA ASN A 18 74.627 -6.759 28.535 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.100 -4.141 27.047 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.173 -5.707 26.263 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.570 -4.869 27.354 1.00 0.00 H new ATOM 0 HD22 ASN A 18 71.786 -3.943 26.468 1.00 0.00 H new ATOM 288 N TRP A 19 77.173 -6.480 28.293 1.00 0.00 N ATOM 289 CA TRP A 19 78.599 -6.412 27.867 1.00 0.00 C ATOM 290 C TRP A 19 78.724 -6.800 26.390 1.00 0.00 C ATOM 291 O TRP A 19 79.638 -6.383 25.706 1.00 0.00 O ATOM 292 CB TRP A 19 79.454 -7.340 28.737 1.00 0.00 C ATOM 293 CG TRP A 19 79.077 -8.766 28.507 1.00 0.00 C ATOM 294 CD1 TRP A 19 78.258 -9.489 29.304 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.495 -9.656 27.433 1.00 0.00 C ATOM 296 NE1 TRP A 19 78.151 -10.769 28.791 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.894 -10.921 27.637 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.331 -9.494 26.311 1.00 0.00 C ATOM 299 CZ2 TRP A 19 79.114 -11.985 26.764 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.549 -10.562 25.430 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.944 -11.805 25.655 1.00 0.00 C ATOM 0 H TRP A 19 76.946 -7.239 28.935 1.00 0.00 H new ATOM 0 HA TRP A 19 78.958 -5.390 27.992 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.509 -7.195 28.506 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.320 -7.087 29.789 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.768 -9.126 30.195 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.592 -11.510 29.213 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.807 -8.542 26.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.646 -12.942 26.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.189 -10.425 24.571 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.119 -12.623 24.972 1.00 0.00 H new ATOM 312 N ARG A 20 77.823 -7.606 25.894 1.00 0.00 N ATOM 313 CA ARG A 20 77.906 -8.029 24.464 1.00 0.00 C ATOM 314 C ARG A 20 77.829 -6.806 23.547 1.00 0.00 C ATOM 315 O ARG A 20 78.525 -6.720 22.555 1.00 0.00 O ATOM 316 CB ARG A 20 76.734 -8.961 24.143 1.00 0.00 C ATOM 317 CG ARG A 20 76.924 -10.301 24.855 1.00 0.00 C ATOM 318 CD ARG A 20 75.744 -11.224 24.538 1.00 0.00 C ATOM 319 NE ARG A 20 75.713 -11.526 23.079 1.00 0.00 N ATOM 320 CZ ARG A 20 75.012 -12.535 22.636 1.00 0.00 C ATOM 321 NH1 ARG A 20 74.341 -13.282 23.472 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.981 -12.800 21.358 1.00 0.00 N ATOM 0 H ARG A 20 77.035 -7.989 26.415 1.00 0.00 H new ATOM 0 HA ARG A 20 78.853 -8.544 24.302 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.797 -8.502 24.457 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.667 -9.118 23.066 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.857 -10.765 24.536 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.998 -10.145 25.931 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.832 -12.149 25.108 1.00 0.00 H new ATOM 0 HD3 ARG A 20 74.810 -10.751 24.840 1.00 0.00 H new ATOM 0 HE ARG A 20 76.239 -10.945 22.426 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.365 -13.077 24.471 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.794 -14.070 23.126 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.505 -12.219 20.704 1.00 0.00 H new ATOM 0 HH22 ARG A 20 74.433 -13.588 21.014 1.00 0.00 H new ATOM 336 N ALA A 21 76.992 -5.859 23.866 1.00 0.00 N ATOM 337 CA ALA A 21 76.878 -4.647 23.005 1.00 0.00 C ATOM 338 C ALA A 21 78.232 -3.936 22.939 1.00 0.00 C ATOM 339 O ALA A 21 78.681 -3.526 21.887 1.00 0.00 O ATOM 340 CB ALA A 21 75.831 -3.699 23.593 1.00 0.00 C ATOM 0 H ALA A 21 76.383 -5.871 24.684 1.00 0.00 H new ATOM 0 HA ALA A 21 76.576 -4.944 22.001 1.00 0.00 H new ATOM 0 HB1 ALA A 21 75.748 -2.813 22.963 1.00 0.00 H new ATOM 0 HB2 ALA A 21 74.866 -4.205 23.637 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.132 -3.403 24.598 1.00 0.00 H new ATOM 346 N MET A 22 78.882 -3.787 24.060 1.00 0.00 N ATOM 347 CA MET A 22 80.206 -3.101 24.077 1.00 0.00 C ATOM 348 C MET A 22 81.202 -3.865 23.207 1.00 0.00 C ATOM 349 O MET A 22 81.963 -3.282 22.461 1.00 0.00 O ATOM 350 CB MET A 22 80.716 -3.053 25.518 1.00 0.00 C ATOM 351 CG MET A 22 82.082 -2.369 25.564 1.00 0.00 C ATOM 352 SD MET A 22 82.456 -1.879 27.266 1.00 0.00 S ATOM 353 CE MET A 22 82.157 -3.482 28.053 1.00 0.00 C ATOM 0 H MET A 22 78.552 -4.112 24.969 1.00 0.00 H new ATOM 0 HA MET A 22 80.100 -2.090 23.684 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.008 -2.512 26.146 1.00 0.00 H new ATOM 0 HB3 MET A 22 80.792 -4.063 25.920 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.852 -3.045 25.192 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.084 -1.494 24.914 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.627 -3.498 29.036 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.084 -3.640 28.161 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.580 -4.275 27.436 1.00 0.00 H new ATOM 363 N ALA A 23 81.205 -5.164 23.291 1.00 0.00 N ATOM 364 CA ALA A 23 82.156 -5.955 22.464 1.00 0.00 C ATOM 365 C ALA A 23 81.870 -5.699 20.983 1.00 0.00 C ATOM 366 O ALA A 23 82.771 -5.560 20.181 1.00 0.00 O ATOM 367 CB ALA A 23 81.976 -7.442 22.772 1.00 0.00 C ATOM 0 H ALA A 23 80.592 -5.712 23.895 1.00 0.00 H new ATOM 0 HA ALA A 23 83.180 -5.658 22.693 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.671 -8.025 22.168 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.175 -7.621 23.829 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.954 -7.741 22.539 1.00 0.00 H new ATOM 373 N SER A 24 80.619 -5.632 20.618 1.00 0.00 N ATOM 374 CA SER A 24 80.270 -5.382 19.190 1.00 0.00 C ATOM 375 C SER A 24 80.630 -3.943 18.814 1.00 0.00 C ATOM 376 O SER A 24 81.114 -3.674 17.732 1.00 0.00 O ATOM 377 CB SER A 24 78.768 -5.593 18.992 1.00 0.00 C ATOM 378 OG SER A 24 78.453 -5.459 17.613 1.00 0.00 O ATOM 0 H SER A 24 79.823 -5.740 21.247 1.00 0.00 H new ATOM 0 HA SER A 24 80.827 -6.072 18.557 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.478 -6.581 19.349 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.206 -4.865 19.578 1.00 0.00 H new ATOM 0 HG SER A 24 77.491 -5.595 17.482 1.00 0.00 H new ATOM 384 N ASP A 25 80.387 -3.015 19.697 1.00 0.00 N ATOM 385 CA ASP A 25 80.701 -1.590 19.392 1.00 0.00 C ATOM 386 C ASP A 25 82.200 -1.430 19.127 1.00 0.00 C ATOM 387 O ASP A 25 82.610 -0.700 18.247 1.00 0.00 O ATOM 388 CB ASP A 25 80.296 -0.718 20.583 1.00 0.00 C ATOM 389 CG ASP A 25 80.611 0.747 20.276 1.00 0.00 C ATOM 390 OD1 ASP A 25 81.749 1.141 20.468 1.00 0.00 O ATOM 391 OD2 ASP A 25 79.708 1.449 19.852 1.00 0.00 O ATOM 0 H ASP A 25 79.984 -3.182 20.619 1.00 0.00 H new ATOM 0 HA ASP A 25 80.148 -1.281 18.505 1.00 0.00 H new ATOM 0 HB2 ASP A 25 79.232 -0.837 20.788 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.831 -1.036 21.478 1.00 0.00 H new ATOM 396 N PHE A 26 83.022 -2.108 19.886 1.00 0.00 N ATOM 397 CA PHE A 26 84.502 -2.002 19.691 1.00 0.00 C ATOM 398 C PHE A 26 84.999 -3.198 18.877 1.00 0.00 C ATOM 399 O PHE A 26 86.175 -3.328 18.603 1.00 0.00 O ATOM 400 CB PHE A 26 85.192 -1.994 21.057 1.00 0.00 C ATOM 401 CG PHE A 26 84.938 -0.673 21.742 1.00 0.00 C ATOM 402 CD1 PHE A 26 85.718 0.444 21.419 1.00 0.00 C ATOM 403 CD2 PHE A 26 83.923 -0.564 22.703 1.00 0.00 C ATOM 404 CE1 PHE A 26 85.485 1.668 22.055 1.00 0.00 C ATOM 405 CE2 PHE A 26 83.691 0.662 23.338 1.00 0.00 C ATOM 406 CZ PHE A 26 84.472 1.778 23.015 1.00 0.00 C ATOM 0 H PHE A 26 82.731 -2.734 20.637 1.00 0.00 H new ATOM 0 HA PHE A 26 84.734 -1.080 19.157 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.816 -2.812 21.671 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.264 -2.153 20.936 1.00 0.00 H new ATOM 0 HD1 PHE A 26 86.500 0.361 20.679 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.321 -1.425 22.953 1.00 0.00 H new ATOM 0 HE1 PHE A 26 86.087 2.529 21.805 1.00 0.00 H new ATOM 0 HE2 PHE A 26 82.909 0.747 24.078 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.293 2.723 23.506 1.00 0.00 H new ATOM 416 N ASN A 27 84.111 -4.069 18.490 1.00 0.00 N ATOM 417 CA ASN A 27 84.526 -5.257 17.692 1.00 0.00 C ATOM 418 C ASN A 27 85.651 -6.007 18.410 1.00 0.00 C ATOM 419 O ASN A 27 86.621 -6.411 17.800 1.00 0.00 O ATOM 420 CB ASN A 27 85.011 -4.813 16.308 1.00 0.00 C ATOM 421 CG ASN A 27 83.873 -4.111 15.564 1.00 0.00 C ATOM 422 OD1 ASN A 27 82.756 -4.587 15.551 1.00 0.00 O ATOM 423 ND2 ASN A 27 84.116 -2.997 14.929 1.00 0.00 N ATOM 0 H ASN A 27 83.113 -4.010 18.692 1.00 0.00 H new ATOM 0 HA ASN A 27 83.668 -5.920 17.580 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.862 -4.140 16.409 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.353 -5.676 15.738 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.367 -2.526 14.421 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.055 -2.598 14.940 1.00 0.00 H new ATOM 430 N LEU A 28 85.523 -6.210 19.700 1.00 0.00 N ATOM 431 CA LEU A 28 86.574 -6.953 20.469 1.00 0.00 C ATOM 432 C LEU A 28 85.960 -8.270 20.950 1.00 0.00 C ATOM 433 O LEU A 28 84.769 -8.345 21.169 1.00 0.00 O ATOM 434 CB LEU A 28 86.994 -6.128 21.695 1.00 0.00 C ATOM 435 CG LEU A 28 87.766 -4.872 21.261 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.761 -3.852 22.404 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.222 -5.224 20.919 1.00 0.00 C ATOM 0 H LEU A 28 84.730 -5.891 20.257 1.00 0.00 H new ATOM 0 HA LEU A 28 87.445 -7.134 19.839 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.112 -5.840 22.266 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.616 -6.735 22.353 1.00 0.00 H new ATOM 0 HG LEU A 28 87.282 -4.455 20.378 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.308 -2.960 22.098 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.733 -3.582 22.646 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.238 -4.287 23.282 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.752 -4.322 20.614 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.708 -5.652 21.796 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.240 -5.948 20.105 1.00 0.00 H new ATOM 449 N PRO A 29 86.742 -9.306 21.117 1.00 0.00 N ATOM 450 CA PRO A 29 86.204 -10.614 21.586 1.00 0.00 C ATOM 451 C PRO A 29 85.723 -10.516 23.050 1.00 0.00 C ATOM 452 O PRO A 29 86.299 -9.792 23.836 1.00 0.00 O ATOM 453 CB PRO A 29 87.395 -11.578 21.442 1.00 0.00 C ATOM 454 CG PRO A 29 88.610 -10.705 21.493 1.00 0.00 C ATOM 455 CD PRO A 29 88.198 -9.361 20.885 1.00 0.00 C ATOM 0 HA PRO A 29 85.336 -10.946 21.017 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.405 -12.315 22.245 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.345 -12.130 20.503 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.955 -10.578 22.519 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.432 -11.150 20.933 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.712 -8.529 21.366 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.437 -9.312 19.823 1.00 0.00 H new ATOM 463 N PRO A 30 84.673 -11.220 23.417 1.00 0.00 N ATOM 464 CA PRO A 30 84.127 -11.174 24.806 1.00 0.00 C ATOM 465 C PRO A 30 85.219 -11.143 25.880 1.00 0.00 C ATOM 466 O PRO A 30 84.971 -10.810 27.018 1.00 0.00 O ATOM 467 CB PRO A 30 83.323 -12.474 24.909 1.00 0.00 C ATOM 468 CG PRO A 30 82.847 -12.751 23.517 1.00 0.00 C ATOM 469 CD PRO A 30 83.889 -12.139 22.564 1.00 0.00 C ATOM 0 HA PRO A 30 83.544 -10.269 24.977 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.940 -13.290 25.284 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.485 -12.366 25.598 1.00 0.00 H new ATOM 0 HG2 PRO A 30 82.750 -13.823 23.347 1.00 0.00 H new ATOM 0 HG3 PRO A 30 81.864 -12.311 23.349 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.522 -12.908 22.121 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.411 -11.607 21.741 1.00 0.00 H new ATOM 477 N VAL A 31 86.414 -11.514 25.539 1.00 0.00 N ATOM 478 CA VAL A 31 87.494 -11.538 26.559 1.00 0.00 C ATOM 479 C VAL A 31 87.710 -10.143 27.151 1.00 0.00 C ATOM 480 O VAL A 31 87.751 -9.977 28.354 1.00 0.00 O ATOM 481 CB VAL A 31 88.783 -12.044 25.903 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.969 -11.859 26.852 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.625 -13.526 25.564 1.00 0.00 C ATOM 0 H VAL A 31 86.692 -11.802 24.601 1.00 0.00 H new ATOM 0 HA VAL A 31 87.209 -12.205 27.372 1.00 0.00 H new ATOM 0 HB VAL A 31 88.970 -11.473 24.993 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.878 -12.223 26.373 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.083 -10.802 27.091 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.792 -12.421 27.769 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.539 -13.892 25.097 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.433 -14.090 26.477 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.789 -13.655 24.876 1.00 0.00 H new ATOM 493 N VAL A 32 87.858 -9.141 26.335 1.00 0.00 N ATOM 494 CA VAL A 32 88.077 -7.777 26.893 1.00 0.00 C ATOM 495 C VAL A 32 86.806 -7.304 27.607 1.00 0.00 C ATOM 496 O VAL A 32 86.859 -6.717 28.669 1.00 0.00 O ATOM 497 CB VAL A 32 88.423 -6.807 25.761 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.431 -5.370 26.295 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.806 -7.150 25.203 1.00 0.00 C ATOM 0 H VAL A 32 87.838 -9.203 25.317 1.00 0.00 H new ATOM 0 HA VAL A 32 88.901 -7.807 27.605 1.00 0.00 H new ATOM 0 HB VAL A 32 87.677 -6.894 24.971 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.678 -4.683 25.486 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.446 -5.124 26.692 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.175 -5.280 27.087 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.054 -6.460 24.396 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.550 -7.064 25.995 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.801 -8.170 24.819 1.00 0.00 H new ATOM 509 N ALA A 33 85.666 -7.550 27.024 1.00 0.00 N ATOM 510 CA ALA A 33 84.390 -7.110 27.658 1.00 0.00 C ATOM 511 C ALA A 33 84.210 -7.792 29.018 1.00 0.00 C ATOM 512 O ALA A 33 83.832 -7.167 29.990 1.00 0.00 O ATOM 513 CB ALA A 33 83.220 -7.472 26.740 1.00 0.00 C ATOM 0 H ALA A 33 85.562 -8.038 26.134 1.00 0.00 H new ATOM 0 HA ALA A 33 84.419 -6.031 27.810 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.285 -7.152 27.199 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.343 -6.971 25.780 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.198 -8.551 26.586 1.00 0.00 H new ATOM 519 N LYS A 34 84.482 -9.067 29.099 1.00 0.00 N ATOM 520 CA LYS A 34 84.332 -9.784 30.398 1.00 0.00 C ATOM 521 C LYS A 34 85.262 -9.171 31.450 1.00 0.00 C ATOM 522 O LYS A 34 84.901 -9.038 32.602 1.00 0.00 O ATOM 523 CB LYS A 34 84.621 -11.275 30.205 1.00 0.00 C ATOM 524 CG LYS A 34 83.443 -11.917 29.461 1.00 0.00 C ATOM 525 CD LYS A 34 83.703 -13.409 29.253 1.00 0.00 C ATOM 526 CE LYS A 34 82.516 -14.036 28.517 1.00 0.00 C ATOM 527 NZ LYS A 34 82.838 -15.449 28.173 1.00 0.00 N ATOM 0 H LYS A 34 84.802 -9.643 28.321 1.00 0.00 H new ATOM 0 HA LYS A 34 83.307 -9.678 30.753 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.543 -11.410 29.639 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.766 -11.759 31.171 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.524 -11.776 30.029 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.301 -11.427 28.498 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.618 -13.553 28.678 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.850 -13.901 30.215 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.624 -13.997 29.142 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.296 -13.471 27.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 82.033 -15.877 27.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 83.679 -15.474 27.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 83.028 -15.984 29.044 1.00 0.00 H new ATOM 541 N GLU A 35 86.455 -8.807 31.072 1.00 0.00 N ATOM 542 CA GLU A 35 87.394 -8.216 32.068 1.00 0.00 C ATOM 543 C GLU A 35 86.783 -6.942 32.656 1.00 0.00 C ATOM 544 O GLU A 35 86.890 -6.686 33.840 1.00 0.00 O ATOM 545 CB GLU A 35 88.719 -7.875 31.375 1.00 0.00 C ATOM 546 CG GLU A 35 89.698 -7.249 32.382 1.00 0.00 C ATOM 547 CD GLU A 35 89.374 -5.762 32.587 1.00 0.00 C ATOM 548 OE1 GLU A 35 88.846 -5.155 31.670 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.663 -5.258 33.659 1.00 0.00 O ATOM 0 H GLU A 35 86.820 -8.892 30.123 1.00 0.00 H new ATOM 0 HA GLU A 35 87.574 -8.933 32.869 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.155 -8.776 30.944 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.540 -7.183 30.552 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.637 -7.776 33.334 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.721 -7.359 32.022 1.00 0.00 H new ATOM 556 N ILE A 36 86.139 -6.139 31.853 1.00 0.00 N ATOM 557 CA ILE A 36 85.527 -4.893 32.394 1.00 0.00 C ATOM 558 C ILE A 36 84.456 -5.274 33.419 1.00 0.00 C ATOM 559 O ILE A 36 84.328 -4.659 34.459 1.00 0.00 O ATOM 560 CB ILE A 36 84.899 -4.095 31.249 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.013 -3.548 30.352 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.078 -2.929 31.816 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.414 -3.049 29.036 1.00 0.00 C ATOM 0 H ILE A 36 86.011 -6.291 30.852 1.00 0.00 H new ATOM 0 HA ILE A 36 86.288 -4.279 32.875 1.00 0.00 H new ATOM 0 HB ILE A 36 84.242 -4.744 30.670 1.00 0.00 H new ATOM 0 HG12 ILE A 36 86.534 -2.735 30.857 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.751 -4.326 30.156 1.00 0.00 H new ATOM 0 HG21 ILE A 36 83.633 -2.365 30.996 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.288 -3.319 32.459 1.00 0.00 H new ATOM 0 HG23 ILE A 36 84.728 -2.275 32.396 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.208 -2.660 28.399 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.913 -3.873 28.529 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.693 -2.257 29.241 1.00 0.00 H new ATOM 575 N VAL A 37 83.701 -6.299 33.138 1.00 0.00 N ATOM 576 CA VAL A 37 82.652 -6.745 34.096 1.00 0.00 C ATOM 577 C VAL A 37 83.326 -7.213 35.386 1.00 0.00 C ATOM 578 O VAL A 37 82.858 -6.957 36.478 1.00 0.00 O ATOM 579 CB VAL A 37 81.860 -7.900 33.470 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.952 -8.551 34.523 1.00 0.00 C ATOM 581 CG2 VAL A 37 81.001 -7.354 32.324 1.00 0.00 C ATOM 0 H VAL A 37 83.766 -6.849 32.282 1.00 0.00 H new ATOM 0 HA VAL A 37 81.972 -5.924 34.321 1.00 0.00 H new ATOM 0 HB VAL A 37 82.555 -8.649 33.091 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.395 -9.369 34.067 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.561 -8.938 35.340 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.254 -7.809 34.911 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.435 -8.169 31.874 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.312 -6.604 32.712 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.645 -6.900 31.571 1.00 0.00 H new ATOM 591 N ALA A 38 84.426 -7.898 35.259 1.00 0.00 N ATOM 592 CA ALA A 38 85.150 -8.391 36.460 1.00 0.00 C ATOM 593 C ALA A 38 85.693 -7.202 37.259 1.00 0.00 C ATOM 594 O ALA A 38 85.693 -7.206 38.474 1.00 0.00 O ATOM 595 CB ALA A 38 86.310 -9.289 36.019 1.00 0.00 C ATOM 0 H ALA A 38 84.858 -8.139 34.367 1.00 0.00 H new ATOM 0 HA ALA A 38 84.466 -8.962 37.088 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.843 -9.652 36.898 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.920 -10.136 35.455 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.993 -8.718 35.390 1.00 0.00 H new ATOM 601 N SER A 39 86.170 -6.190 36.585 1.00 0.00 N ATOM 602 CA SER A 39 86.731 -5.011 37.309 1.00 0.00 C ATOM 603 C SER A 39 85.604 -4.193 37.944 1.00 0.00 C ATOM 604 O SER A 39 85.726 -3.717 39.055 1.00 0.00 O ATOM 605 CB SER A 39 87.501 -4.131 36.324 1.00 0.00 C ATOM 606 OG SER A 39 88.660 -4.823 35.883 1.00 0.00 O ATOM 0 H SER A 39 86.196 -6.128 35.567 1.00 0.00 H new ATOM 0 HA SER A 39 87.400 -5.363 38.094 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.868 -3.878 35.473 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.783 -3.192 36.801 1.00 0.00 H new ATOM 0 HG SER A 39 88.770 -4.694 34.918 1.00 0.00 H new ATOM 612 N CYS A 40 84.506 -4.030 37.261 1.00 0.00 N ATOM 613 CA CYS A 40 83.385 -3.247 37.853 1.00 0.00 C ATOM 614 C CYS A 40 82.683 -4.110 38.903 1.00 0.00 C ATOM 615 O CYS A 40 82.069 -5.112 38.591 1.00 0.00 O ATOM 616 CB CYS A 40 82.396 -2.847 36.755 1.00 0.00 C ATOM 617 SG CYS A 40 81.257 -1.592 37.393 1.00 0.00 S ATOM 0 H CYS A 40 84.336 -4.401 36.326 1.00 0.00 H new ATOM 0 HA CYS A 40 83.771 -2.341 38.321 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.934 -2.459 35.890 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.839 -3.721 36.417 1.00 0.00 H new ATOM 0 HG CYS A 40 81.044 -0.694 36.478 1.00 0.00 H new ATOM 622 N ASP A 41 82.786 -3.735 40.149 1.00 0.00 N ATOM 623 CA ASP A 41 82.147 -4.538 41.231 1.00 0.00 C ATOM 624 C ASP A 41 80.634 -4.617 41.013 1.00 0.00 C ATOM 625 O ASP A 41 80.021 -5.643 41.229 1.00 0.00 O ATOM 626 CB ASP A 41 82.434 -3.878 42.584 1.00 0.00 C ATOM 627 CG ASP A 41 83.883 -4.159 42.993 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.156 -5.277 43.397 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.693 -3.252 42.896 1.00 0.00 O ATOM 0 H ASP A 41 83.287 -2.905 40.465 1.00 0.00 H new ATOM 0 HA ASP A 41 82.557 -5.548 41.215 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.265 -2.803 42.519 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.750 -4.263 43.341 1.00 0.00 H new ATOM 634 N LYS A 42 80.024 -3.544 40.600 1.00 0.00 N ATOM 635 CA LYS A 42 78.550 -3.567 40.386 1.00 0.00 C ATOM 636 C LYS A 42 78.192 -4.604 39.317 1.00 0.00 C ATOM 637 O LYS A 42 77.208 -5.308 39.432 1.00 0.00 O ATOM 638 CB LYS A 42 78.078 -2.184 39.922 1.00 0.00 C ATOM 639 CG LYS A 42 78.343 -1.130 41.010 1.00 0.00 C ATOM 640 CD LYS A 42 77.351 -1.287 42.173 1.00 0.00 C ATOM 641 CE LYS A 42 77.386 -0.029 43.045 1.00 0.00 C ATOM 642 NZ LYS A 42 78.735 0.109 43.664 1.00 0.00 N ATOM 0 H LYS A 42 80.480 -2.653 40.401 1.00 0.00 H new ATOM 0 HA LYS A 42 78.060 -3.830 41.323 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.596 -1.906 39.004 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.013 -2.216 39.690 1.00 0.00 H new ATOM 0 HG2 LYS A 42 79.363 -1.231 41.380 1.00 0.00 H new ATOM 0 HG3 LYS A 42 78.256 -0.131 40.584 1.00 0.00 H new ATOM 0 HD2 LYS A 42 76.344 -1.448 41.787 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.608 -2.163 42.769 1.00 0.00 H new ATOM 0 HE2 LYS A 42 77.159 0.851 42.443 1.00 0.00 H new ATOM 0 HE3 LYS A 42 76.623 -0.090 43.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 78.712 0.859 44.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 79.006 -0.790 44.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 79.430 0.354 42.930 1.00 0.00 H new ATOM 656 N CYS A 43 78.971 -4.706 38.273 1.00 0.00 N ATOM 657 CA CYS A 43 78.651 -5.699 37.206 1.00 0.00 C ATOM 658 C CYS A 43 79.061 -7.106 37.656 1.00 0.00 C ATOM 659 O CYS A 43 78.509 -8.092 37.212 1.00 0.00 O ATOM 660 CB CYS A 43 79.409 -5.358 35.923 1.00 0.00 C ATOM 661 SG CYS A 43 79.128 -3.631 35.477 1.00 0.00 S ATOM 0 H CYS A 43 79.810 -4.148 38.113 1.00 0.00 H new ATOM 0 HA CYS A 43 77.577 -5.667 37.020 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.475 -5.537 36.063 1.00 0.00 H new ATOM 0 HB3 CYS A 43 79.080 -6.009 35.113 1.00 0.00 H new ATOM 0 HG CYS A 43 79.815 -2.861 36.268 1.00 0.00 H new ATOM 666 N GLN A 44 80.045 -7.209 38.509 1.00 0.00 N ATOM 667 CA GLN A 44 80.507 -8.558 38.953 1.00 0.00 C ATOM 668 C GLN A 44 79.529 -9.154 39.966 1.00 0.00 C ATOM 669 O GLN A 44 78.780 -10.060 39.658 1.00 0.00 O ATOM 670 CB GLN A 44 81.892 -8.430 39.597 1.00 0.00 C ATOM 671 CG GLN A 44 82.377 -9.810 40.058 1.00 0.00 C ATOM 672 CD GLN A 44 83.814 -9.710 40.576 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.559 -8.696 40.227 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.268 -10.570 41.307 1.00 0.00 N ATOM 0 H GLN A 44 80.548 -6.421 38.917 1.00 0.00 H new ATOM 0 HA GLN A 44 80.557 -9.217 38.086 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.598 -8.006 38.883 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.847 -7.747 40.446 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.724 -10.191 40.843 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.328 -10.518 39.230 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.689 -11.364 41.582 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.228 -10.497 41.645 1.00 0.00 H new ATOM 844 N PHE B 1 93.895 -14.062 21.959 1.00 0.00 N ATOM 845 CA PHE B 1 92.787 -13.790 22.918 1.00 0.00 C ATOM 846 C PHE B 1 92.177 -15.114 23.390 1.00 0.00 C ATOM 847 O PHE B 1 92.608 -15.699 24.364 1.00 0.00 O ATOM 848 CB PHE B 1 91.703 -12.955 22.227 1.00 0.00 C ATOM 849 CG PHE B 1 92.170 -11.525 22.077 1.00 0.00 C ATOM 850 CD1 PHE B 1 91.902 -10.592 23.087 1.00 0.00 C ATOM 851 CD2 PHE B 1 92.862 -11.130 20.927 1.00 0.00 C ATOM 852 CE1 PHE B 1 92.327 -9.266 22.946 1.00 0.00 C ATOM 853 CE2 PHE B 1 93.287 -9.803 20.785 1.00 0.00 C ATOM 854 CZ PHE B 1 93.019 -8.871 21.795 1.00 0.00 C ATOM 0 H1 PHE B 1 93.979 -13.269 21.291 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.788 -14.171 22.482 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.693 -14.937 21.434 1.00 0.00 H new ATOM 0 HA PHE B 1 93.181 -13.243 23.775 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.476 -13.377 21.248 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.782 -12.986 22.809 1.00 0.00 H new ATOM 0 HD1 PHE B 1 91.367 -10.896 23.975 1.00 0.00 H new ATOM 0 HD2 PHE B 1 93.069 -11.849 20.148 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.121 -8.547 23.725 1.00 0.00 H new ATOM 0 HE2 PHE B 1 93.821 -9.499 19.897 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.346 -7.848 21.686 1.00 0.00 H new ATOM 866 N LEU B 2 91.161 -15.576 22.712 1.00 0.00 N ATOM 867 CA LEU B 2 90.494 -16.849 23.117 1.00 0.00 C ATOM 868 C LEU B 2 91.479 -18.022 23.073 1.00 0.00 C ATOM 869 O LEU B 2 91.480 -18.872 23.942 1.00 0.00 O ATOM 870 CB LEU B 2 89.342 -17.136 22.148 1.00 0.00 C ATOM 871 CG LEU B 2 88.272 -16.038 22.258 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.346 -16.111 21.040 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.435 -16.227 23.533 1.00 0.00 C ATOM 0 H LEU B 2 90.761 -15.124 21.890 1.00 0.00 H new ATOM 0 HA LEU B 2 90.125 -16.739 24.137 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.720 -17.185 21.127 1.00 0.00 H new ATOM 0 HB3 LEU B 2 88.901 -18.107 22.372 1.00 0.00 H new ATOM 0 HG LEU B 2 88.768 -15.068 22.299 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.585 -15.334 21.114 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.929 -15.963 20.131 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.864 -17.088 21.007 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.683 -15.441 23.594 1.00 0.00 H new ATOM 0 HD22 LEU B 2 86.943 -17.199 23.504 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.085 -16.176 24.406 1.00 0.00 H new ATOM 885 N ASP B 3 92.305 -18.091 22.067 1.00 0.00 N ATOM 886 CA ASP B 3 93.267 -19.229 21.978 1.00 0.00 C ATOM 887 C ASP B 3 94.228 -19.198 23.164 1.00 0.00 C ATOM 888 O ASP B 3 94.546 -20.218 23.744 1.00 0.00 O ATOM 889 CB ASP B 3 94.067 -19.115 20.683 1.00 0.00 C ATOM 890 CG ASP B 3 93.170 -19.458 19.493 1.00 0.00 C ATOM 891 OD1 ASP B 3 92.438 -20.430 19.588 1.00 0.00 O ATOM 892 OD2 ASP B 3 93.232 -18.746 18.505 1.00 0.00 O ATOM 0 H ASP B 3 92.357 -17.414 21.306 1.00 0.00 H new ATOM 0 HA ASP B 3 92.711 -20.166 21.991 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.461 -18.104 20.575 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.923 -19.789 20.712 1.00 0.00 H new ATOM 897 N GLY B 4 94.684 -18.038 23.536 1.00 0.00 N ATOM 898 CA GLY B 4 95.619 -17.946 24.691 1.00 0.00 C ATOM 899 C GLY B 4 94.909 -18.450 25.945 1.00 0.00 C ATOM 900 O GLY B 4 95.491 -19.112 26.781 1.00 0.00 O ATOM 0 H GLY B 4 94.451 -17.150 23.092 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.513 -18.540 24.500 1.00 0.00 H new ATOM 0 HA3 GLY B 4 95.945 -16.915 24.831 1.00 0.00 H new ATOM 904 N ILE B 5 93.650 -18.138 26.078 1.00 0.00 N ATOM 905 CA ILE B 5 92.888 -18.587 27.273 1.00 0.00 C ATOM 906 C ILE B 5 92.750 -20.113 27.272 1.00 0.00 C ATOM 907 O ILE B 5 92.832 -20.749 28.303 1.00 0.00 O ATOM 908 CB ILE B 5 91.495 -17.944 27.264 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.628 -16.441 27.544 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.620 -18.595 28.342 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.279 -15.750 27.331 1.00 0.00 C ATOM 0 H ILE B 5 93.115 -17.588 25.406 1.00 0.00 H new ATOM 0 HA ILE B 5 93.426 -18.282 28.171 1.00 0.00 H new ATOM 0 HB ILE B 5 91.031 -18.093 26.289 1.00 0.00 H new ATOM 0 HG12 ILE B 5 91.971 -16.282 28.566 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.378 -16.004 26.885 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.631 -18.137 28.334 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.527 -19.662 28.140 1.00 0.00 H new ATOM 0 HG23 ILE B 5 91.079 -18.450 29.320 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.381 -14.683 27.532 1.00 0.00 H new ATOM 0 HD12 ILE B 5 89.954 -15.896 26.301 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.540 -16.178 28.009 1.00 0.00 H new ATOM 923 N ASP B 6 92.516 -20.706 26.136 1.00 0.00 N ATOM 924 CA ASP B 6 92.347 -22.186 26.106 1.00 0.00 C ATOM 925 C ASP B 6 93.615 -22.863 26.626 1.00 0.00 C ATOM 926 O ASP B 6 93.554 -23.756 27.449 1.00 0.00 O ATOM 927 CB ASP B 6 92.067 -22.642 24.671 1.00 0.00 C ATOM 928 CG ASP B 6 91.893 -24.162 24.639 1.00 0.00 C ATOM 929 OD1 ASP B 6 92.123 -24.787 25.662 1.00 0.00 O ATOM 930 OD2 ASP B 6 91.529 -24.674 23.594 1.00 0.00 O ATOM 0 H ASP B 6 92.435 -20.236 25.234 1.00 0.00 H new ATOM 0 HA ASP B 6 91.508 -22.465 26.743 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.168 -22.155 24.293 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.888 -22.346 24.018 1.00 0.00 H new ATOM 935 N LYS B 7 94.764 -22.452 26.170 1.00 0.00 N ATOM 936 CA LYS B 7 96.018 -23.087 26.666 1.00 0.00 C ATOM 937 C LYS B 7 96.236 -22.692 28.128 1.00 0.00 C ATOM 938 O LYS B 7 96.647 -23.489 28.947 1.00 0.00 O ATOM 939 CB LYS B 7 97.207 -22.612 25.828 1.00 0.00 C ATOM 940 CG LYS B 7 97.096 -23.183 24.413 1.00 0.00 C ATOM 941 CD LYS B 7 98.285 -22.709 23.576 1.00 0.00 C ATOM 942 CE LYS B 7 98.171 -23.280 22.163 1.00 0.00 C ATOM 943 NZ LYS B 7 97.071 -22.584 21.437 1.00 0.00 N ATOM 0 H LYS B 7 94.890 -21.710 25.481 1.00 0.00 H new ATOM 0 HA LYS B 7 95.933 -24.171 26.584 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.227 -21.523 25.791 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.141 -22.933 26.289 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.075 -24.272 24.450 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.162 -22.861 23.952 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.307 -21.620 23.539 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.219 -23.031 24.036 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.113 -23.151 21.629 1.00 0.00 H new ATOM 0 HE3 LYS B 7 97.973 -24.351 22.206 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 97.150 -22.778 20.418 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 96.153 -22.928 21.785 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 97.141 -21.559 21.601 1.00 0.00 H new ATOM 957 N ALA B 8 95.962 -21.460 28.454 1.00 0.00 N ATOM 958 CA ALA B 8 96.146 -20.986 29.856 1.00 0.00 C ATOM 959 C ALA B 8 95.122 -21.660 30.776 1.00 0.00 C ATOM 960 O ALA B 8 95.408 -21.977 31.913 1.00 0.00 O ATOM 961 CB ALA B 8 95.952 -19.470 29.904 1.00 0.00 C ATOM 0 H ALA B 8 95.615 -20.754 27.804 1.00 0.00 H new ATOM 0 HA ALA B 8 97.150 -21.242 30.193 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.085 -19.118 30.927 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.685 -18.989 29.256 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.947 -19.221 29.563 1.00 0.00 H new ATOM 967 N GLN B 9 93.925 -21.863 30.295 1.00 0.00 N ATOM 968 CA GLN B 9 92.870 -22.493 31.140 1.00 0.00 C ATOM 969 C GLN B 9 93.285 -23.918 31.532 1.00 0.00 C ATOM 970 O GLN B 9 93.716 -24.700 30.709 1.00 0.00 O ATOM 971 CB GLN B 9 91.565 -22.541 30.338 1.00 0.00 C ATOM 972 CG GLN B 9 90.443 -23.139 31.190 1.00 0.00 C ATOM 973 CD GLN B 9 89.149 -23.172 30.373 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.180 -23.070 29.163 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.007 -23.315 30.987 1.00 0.00 N ATOM 0 H GLN B 9 93.631 -21.619 29.349 1.00 0.00 H new ATOM 0 HA GLN B 9 92.732 -21.908 32.049 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.291 -21.537 30.015 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.705 -23.138 29.437 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.711 -24.146 31.509 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.301 -22.546 32.093 1.00 0.00 H new ATOM 0 HE21 GLN B 9 87.981 -23.401 32.003 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.140 -23.341 30.451 1.00 0.00 H new ATOM 984 N GLU B 10 93.145 -24.258 32.789 1.00 0.00 N ATOM 985 CA GLU B 10 93.516 -25.632 33.245 1.00 0.00 C ATOM 986 C GLU B 10 92.785 -25.940 34.563 1.00 0.00 C ATOM 987 O GLU B 10 91.698 -25.453 34.806 1.00 0.00 O ATOM 988 CB GLU B 10 95.039 -25.722 33.451 1.00 0.00 C ATOM 989 CG GLU B 10 95.515 -27.171 33.251 1.00 0.00 C ATOM 990 CD GLU B 10 95.595 -27.487 31.755 1.00 0.00 C ATOM 991 OE1 GLU B 10 94.988 -26.762 30.984 1.00 0.00 O ATOM 992 OE2 GLU B 10 96.259 -28.449 31.409 1.00 0.00 O ATOM 0 H GLU B 10 92.789 -23.642 33.520 1.00 0.00 H new ATOM 0 HA GLU B 10 93.223 -26.361 32.489 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.548 -25.063 32.748 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.299 -25.381 34.453 1.00 0.00 H new ATOM 0 HG2 GLU B 10 96.492 -27.310 33.714 1.00 0.00 H new ATOM 0 HG3 GLU B 10 94.828 -27.860 33.742 1.00 0.00 H new ATOM 999 N GLU B 11 93.371 -26.741 35.414 1.00 0.00 N ATOM 1000 CA GLU B 11 92.711 -27.077 36.711 1.00 0.00 C ATOM 1001 C GLU B 11 92.936 -25.949 37.720 1.00 0.00 C ATOM 1002 O GLU B 11 93.892 -25.204 37.634 1.00 0.00 O ATOM 1003 CB GLU B 11 93.298 -28.377 37.269 1.00 0.00 C ATOM 1004 CG GLU B 11 92.821 -29.563 36.429 1.00 0.00 C ATOM 1005 CD GLU B 11 93.567 -30.826 36.862 1.00 0.00 C ATOM 1006 OE1 GLU B 11 94.731 -30.713 37.210 1.00 0.00 O ATOM 1007 OE2 GLU B 11 92.962 -31.885 36.841 1.00 0.00 O ATOM 0 H GLU B 11 94.281 -27.178 35.267 1.00 0.00 H new ATOM 0 HA GLU B 11 91.642 -27.202 36.540 1.00 0.00 H new ATOM 0 HB2 GLU B 11 94.387 -28.328 37.261 1.00 0.00 H new ATOM 0 HB3 GLU B 11 92.993 -28.509 38.307 1.00 0.00 H new ATOM 0 HG2 GLU B 11 91.747 -29.702 36.553 1.00 0.00 H new ATOM 0 HG3 GLU B 11 92.998 -29.368 35.371 1.00 0.00 H new ATOM 1014 N HIS B 12 92.064 -25.824 38.684 1.00 0.00 N ATOM 1015 CA HIS B 12 92.225 -24.752 39.706 1.00 0.00 C ATOM 1016 C HIS B 12 93.386 -25.118 40.637 1.00 0.00 C ATOM 1017 O HIS B 12 93.187 -25.595 41.738 1.00 0.00 O ATOM 1018 CB HIS B 12 90.929 -24.639 40.516 1.00 0.00 C ATOM 1019 CG HIS B 12 91.058 -23.553 41.549 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.800 -22.218 41.261 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.387 -23.591 42.881 1.00 0.00 C ATOM 1022 CE1 HIS B 12 90.971 -21.515 42.399 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.328 -22.307 43.413 1.00 0.00 N ATOM 0 H HIS B 12 91.245 -26.420 38.807 1.00 0.00 H new ATOM 0 HA HIS B 12 92.436 -23.799 39.221 1.00 0.00 H new ATOM 0 HB2 HIS B 12 90.093 -24.422 39.851 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.711 -25.590 41.002 1.00 0.00 H new ATOM 0 HD1 HIS B 12 90.530 -21.839 40.353 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.651 -24.482 43.432 1.00 0.00 H new ATOM 0 HE1 HIS B 12 90.836 -20.447 42.480 1.00 0.00 H new ATOM 1031 N GLU B 13 94.599 -24.905 40.195 1.00 0.00 N ATOM 1032 CA GLU B 13 95.791 -25.245 41.036 1.00 0.00 C ATOM 1033 C GLU B 13 96.338 -23.975 41.703 1.00 0.00 C ATOM 1034 O GLU B 13 95.631 -23.006 41.894 1.00 0.00 O ATOM 1035 CB GLU B 13 96.883 -25.846 40.147 1.00 0.00 C ATOM 1036 CG GLU B 13 96.388 -27.150 39.518 1.00 0.00 C ATOM 1037 CD GLU B 13 97.497 -27.740 38.644 1.00 0.00 C ATOM 1038 OE1 GLU B 13 97.591 -27.344 37.493 1.00 0.00 O ATOM 1039 OE2 GLU B 13 98.236 -28.573 39.142 1.00 0.00 O ATOM 0 H GLU B 13 94.818 -24.507 39.282 1.00 0.00 H new ATOM 0 HA GLU B 13 95.495 -25.961 41.802 1.00 0.00 H new ATOM 0 HB2 GLU B 13 97.158 -25.137 39.366 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.780 -26.035 40.736 1.00 0.00 H new ATOM 0 HG2 GLU B 13 96.106 -27.859 40.296 1.00 0.00 H new ATOM 0 HG3 GLU B 13 95.497 -26.963 38.919 1.00 0.00 H new ATOM 1046 N LYS B 14 97.599 -23.980 42.056 1.00 0.00 N ATOM 1047 CA LYS B 14 98.212 -22.790 42.708 1.00 0.00 C ATOM 1048 C LYS B 14 98.326 -21.662 41.683 1.00 0.00 C ATOM 1049 O LYS B 14 98.265 -20.496 42.015 1.00 0.00 O ATOM 1050 CB LYS B 14 99.615 -23.151 43.205 1.00 0.00 C ATOM 1051 CG LYS B 14 99.511 -24.132 44.372 1.00 0.00 C ATOM 1052 CD LYS B 14 100.915 -24.489 44.865 1.00 0.00 C ATOM 1053 CE LYS B 14 100.809 -25.472 46.029 1.00 0.00 C ATOM 1054 NZ LYS B 14 100.067 -26.685 45.578 1.00 0.00 N ATOM 0 H LYS B 14 98.233 -24.767 41.918 1.00 0.00 H new ATOM 0 HA LYS B 14 97.593 -22.472 43.547 1.00 0.00 H new ATOM 0 HB2 LYS B 14 100.195 -23.594 42.396 1.00 0.00 H new ATOM 0 HB3 LYS B 14 100.143 -22.251 43.520 1.00 0.00 H new ATOM 0 HG2 LYS B 14 98.931 -23.690 45.182 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.984 -25.033 44.058 1.00 0.00 H new ATOM 0 HD2 LYS B 14 101.496 -24.929 44.055 1.00 0.00 H new ATOM 0 HD3 LYS B 14 101.441 -23.588 45.182 1.00 0.00 H new ATOM 0 HE2 LYS B 14 101.803 -25.748 46.379 1.00 0.00 H new ATOM 0 HE3 LYS B 14 100.293 -25.006 46.869 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 100.301 -27.486 46.199 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 99.044 -26.502 45.620 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 100.338 -26.914 44.601 1.00 0.00 H new ATOM 1068 N TYR B 15 98.502 -22.005 40.438 1.00 0.00 N ATOM 1069 CA TYR B 15 98.631 -20.961 39.386 1.00 0.00 C ATOM 1070 C TYR B 15 97.357 -20.115 39.365 1.00 0.00 C ATOM 1071 O TYR B 15 97.405 -18.910 39.215 1.00 0.00 O ATOM 1072 CB TYR B 15 98.828 -21.633 38.023 1.00 0.00 C ATOM 1073 CG TYR B 15 100.257 -22.108 37.895 1.00 0.00 C ATOM 1074 CD1 TYR B 15 101.254 -21.227 37.461 1.00 0.00 C ATOM 1075 CD2 TYR B 15 100.583 -23.431 38.217 1.00 0.00 C ATOM 1076 CE1 TYR B 15 102.578 -21.670 37.347 1.00 0.00 C ATOM 1077 CE2 TYR B 15 101.907 -23.873 38.103 1.00 0.00 C ATOM 1078 CZ TYR B 15 102.904 -22.993 37.669 1.00 0.00 C ATOM 1079 OH TYR B 15 104.208 -23.429 37.556 1.00 0.00 O ATOM 0 H TYR B 15 98.562 -22.967 40.103 1.00 0.00 H new ATOM 0 HA TYR B 15 99.489 -20.324 39.599 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.143 -22.475 37.919 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.594 -20.931 37.223 1.00 0.00 H new ATOM 0 HD1 TYR B 15 101.003 -20.206 37.214 1.00 0.00 H new ATOM 0 HD2 TYR B 15 99.814 -24.110 38.553 1.00 0.00 H new ATOM 0 HE1 TYR B 15 103.347 -20.991 37.011 1.00 0.00 H new ATOM 0 HE2 TYR B 15 102.158 -24.894 38.350 1.00 0.00 H new ATOM 0 HH TYR B 15 104.262 -24.371 37.819 1.00 0.00 H new ATOM 1089 N HIS B 16 96.218 -20.731 39.518 1.00 0.00 N ATOM 1090 CA HIS B 16 94.951 -19.948 39.509 1.00 0.00 C ATOM 1091 C HIS B 16 94.978 -18.922 40.646 1.00 0.00 C ATOM 1092 O HIS B 16 94.565 -17.792 40.477 1.00 0.00 O ATOM 1093 CB HIS B 16 93.757 -20.902 39.696 1.00 0.00 C ATOM 1094 CG HIS B 16 93.339 -21.479 38.368 1.00 0.00 C ATOM 1095 ND1 HIS B 16 92.008 -21.743 38.065 1.00 0.00 N ATOM 1096 CD2 HIS B 16 94.057 -21.834 37.252 1.00 0.00 C ATOM 1097 CE1 HIS B 16 91.969 -22.233 36.811 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.189 -22.307 36.275 1.00 0.00 N ATOM 0 H HIS B 16 96.110 -21.737 39.648 1.00 0.00 H new ATOM 0 HA HIS B 16 94.849 -19.427 38.557 1.00 0.00 H new ATOM 0 HB2 HIS B 16 94.028 -21.706 40.381 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.922 -20.367 40.147 1.00 0.00 H new ATOM 0 HD2 HIS B 16 95.129 -21.757 37.150 1.00 0.00 H new ATOM 0 HE1 HIS B 16 91.063 -22.529 36.303 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.433 -22.641 35.343 1.00 0.00 H new ATOM 1106 N SER B 17 95.463 -19.292 41.800 1.00 0.00 N ATOM 1107 CA SER B 17 95.508 -18.311 42.919 1.00 0.00 C ATOM 1108 C SER B 17 96.373 -17.122 42.501 1.00 0.00 C ATOM 1109 O SER B 17 95.979 -15.980 42.628 1.00 0.00 O ATOM 1110 CB SER B 17 96.102 -18.972 44.164 1.00 0.00 C ATOM 1111 OG SER B 17 97.449 -19.340 43.906 1.00 0.00 O ATOM 0 H SER B 17 95.826 -20.221 42.014 1.00 0.00 H new ATOM 0 HA SER B 17 94.499 -17.969 43.150 1.00 0.00 H new ATOM 0 HB2 SER B 17 96.057 -18.286 45.010 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.519 -19.852 44.435 1.00 0.00 H new ATOM 0 HG SER B 17 97.486 -19.906 43.107 1.00 0.00 H new ATOM 1117 N ASN B 18 97.549 -17.380 41.984 1.00 0.00 N ATOM 1118 CA ASN B 18 98.437 -16.266 41.537 1.00 0.00 C ATOM 1119 C ASN B 18 98.235 -16.039 40.037 1.00 0.00 C ATOM 1120 O ASN B 18 98.889 -16.652 39.216 1.00 0.00 O ATOM 1121 CB ASN B 18 99.897 -16.647 41.795 1.00 0.00 C ATOM 1122 CG ASN B 18 100.152 -16.712 43.302 1.00 0.00 C ATOM 1123 OD1 ASN B 18 99.483 -16.054 44.074 1.00 0.00 O ATOM 1124 ND2 ASN B 18 101.101 -17.485 43.756 1.00 0.00 N ATOM 0 H ASN B 18 97.932 -18.316 41.853 1.00 0.00 H new ATOM 0 HA ASN B 18 98.193 -15.357 42.087 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.118 -17.611 41.337 1.00 0.00 H new ATOM 0 HB3 ASN B 18 100.561 -15.915 41.335 1.00 0.00 H new ATOM 0 HD21 ASN B 18 101.281 -17.537 44.759 1.00 0.00 H new ATOM 0 HD22 ASN B 18 101.663 -18.037 43.108 1.00 0.00 H new ATOM 1131 N TRP B 19 97.337 -15.169 39.670 1.00 0.00 N ATOM 1132 CA TRP B 19 97.101 -14.913 38.221 1.00 0.00 C ATOM 1133 C TRP B 19 98.303 -14.177 37.617 1.00 0.00 C ATOM 1134 O TRP B 19 98.570 -14.277 36.436 1.00 0.00 O ATOM 1135 CB TRP B 19 95.822 -14.092 38.034 1.00 0.00 C ATOM 1136 CG TRP B 19 95.985 -12.727 38.619 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.532 -12.346 39.836 1.00 0.00 C ATOM 1138 CD2 TRP B 19 96.630 -11.558 38.036 1.00 0.00 C ATOM 1139 NE1 TRP B 19 95.851 -11.016 40.034 1.00 0.00 N ATOM 1140 CE2 TRP B 19 96.529 -10.486 38.955 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.284 -11.323 36.813 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.057 -9.227 38.670 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 97.818 -10.058 36.526 1.00 0.00 C ATOM 1144 CH2 TRP B 19 97.704 -9.013 37.453 1.00 0.00 C ATOM 0 H TRP B 19 96.757 -14.625 40.308 1.00 0.00 H new ATOM 0 HA TRP B 19 96.980 -15.866 37.706 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.586 -14.013 36.973 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.984 -14.600 38.510 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.007 -12.978 40.537 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.614 -10.490 40.875 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.376 -12.121 36.091 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 96.966 -8.424 39.386 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.320 -9.888 35.585 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.117 -8.042 37.225 1.00 0.00 H new ATOM 1155 N ARG B 20 99.021 -13.430 38.412 1.00 0.00 N ATOM 1156 CA ARG B 20 100.195 -12.679 37.875 1.00 0.00 C ATOM 1157 C ARG B 20 101.217 -13.654 37.287 1.00 0.00 C ATOM 1158 O ARG B 20 101.809 -13.396 36.257 1.00 0.00 O ATOM 1159 CB ARG B 20 100.857 -11.896 39.014 1.00 0.00 C ATOM 1160 CG ARG B 20 99.949 -10.745 39.451 1.00 0.00 C ATOM 1161 CD ARG B 20 100.615 -9.970 40.593 1.00 0.00 C ATOM 1162 NE ARG B 20 101.877 -9.342 40.109 1.00 0.00 N ATOM 1163 CZ ARG B 20 102.430 -8.378 40.798 1.00 0.00 C ATOM 1164 NH1 ARG B 20 101.876 -7.966 41.905 1.00 0.00 N ATOM 1165 NH2 ARG B 20 103.537 -7.828 40.379 1.00 0.00 N ATOM 0 H ARG B 20 98.846 -13.307 39.409 1.00 0.00 H new ATOM 0 HA ARG B 20 99.855 -11.997 37.096 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.051 -12.558 39.858 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.821 -11.506 38.687 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.758 -10.079 38.609 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.984 -11.133 39.776 1.00 0.00 H new ATOM 0 HD2 ARG B 20 99.937 -9.203 40.968 1.00 0.00 H new ATOM 0 HD3 ARG B 20 100.828 -10.642 41.425 1.00 0.00 H new ATOM 0 HE ARG B 20 102.308 -9.663 39.242 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.011 -8.396 42.233 1.00 0.00 H new ATOM 0 HH12 ARG B 20 102.308 -7.214 42.442 1.00 0.00 H new ATOM 0 HH21 ARG B 20 103.971 -8.150 39.514 1.00 0.00 H new ATOM 0 HH22 ARG B 20 103.968 -7.076 40.917 1.00 0.00 H new ATOM 1179 N ALA B 21 101.435 -14.768 37.927 1.00 0.00 N ATOM 1180 CA ALA B 21 102.423 -15.750 37.393 1.00 0.00 C ATOM 1181 C ALA B 21 101.994 -16.204 35.997 1.00 0.00 C ATOM 1182 O ALA B 21 102.792 -16.284 35.084 1.00 0.00 O ATOM 1183 CB ALA B 21 102.494 -16.962 38.325 1.00 0.00 C ATOM 0 H ALA B 21 100.974 -15.042 38.795 1.00 0.00 H new ATOM 0 HA ALA B 21 103.404 -15.279 37.334 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.216 -17.679 37.935 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.804 -16.639 39.319 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.512 -17.432 38.386 1.00 0.00 H new ATOM 1189 N MET B 22 100.736 -16.505 35.828 1.00 0.00 N ATOM 1190 CA MET B 22 100.243 -16.958 34.497 1.00 0.00 C ATOM 1191 C MET B 22 100.471 -15.867 33.453 1.00 0.00 C ATOM 1192 O MET B 22 100.885 -16.135 32.342 1.00 0.00 O ATOM 1193 CB MET B 22 98.748 -17.259 34.606 1.00 0.00 C ATOM 1194 CG MET B 22 98.208 -17.709 33.247 1.00 0.00 C ATOM 1195 SD MET B 22 96.603 -18.517 33.472 1.00 0.00 S ATOM 1196 CE MET B 22 95.806 -17.212 34.443 1.00 0.00 C ATOM 0 H MET B 22 100.025 -16.456 36.558 1.00 0.00 H new ATOM 0 HA MET B 22 100.785 -17.853 34.191 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.578 -18.037 35.351 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.213 -16.372 34.944 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.105 -16.851 32.582 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.910 -18.396 32.774 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.725 -17.351 34.422 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.158 -17.259 35.474 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.055 -16.239 34.019 1.00 0.00 H new ATOM 1206 N ALA B 23 100.210 -14.640 33.797 1.00 0.00 N ATOM 1207 CA ALA B 23 100.416 -13.539 32.817 1.00 0.00 C ATOM 1208 C ALA B 23 101.892 -13.483 32.424 1.00 0.00 C ATOM 1209 O ALA B 23 102.233 -13.287 31.275 1.00 0.00 O ATOM 1210 CB ALA B 23 100.006 -12.211 33.457 1.00 0.00 C ATOM 0 H ALA B 23 99.864 -14.351 34.712 1.00 0.00 H new ATOM 0 HA ALA B 23 99.810 -13.718 31.929 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.155 -11.401 32.743 1.00 0.00 H new ATOM 0 HB2 ALA B 23 98.955 -12.254 33.742 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.615 -12.030 34.343 1.00 0.00 H new ATOM 1216 N SER B 24 102.770 -13.659 33.372 1.00 0.00 N ATOM 1217 CA SER B 24 104.226 -13.620 33.054 1.00 0.00 C ATOM 1218 C SER B 24 104.610 -14.855 32.237 1.00 0.00 C ATOM 1219 O SER B 24 105.398 -14.783 31.314 1.00 0.00 O ATOM 1220 CB SER B 24 105.028 -13.605 34.355 1.00 0.00 C ATOM 1221 OG SER B 24 106.409 -13.463 34.052 1.00 0.00 O ATOM 0 H SER B 24 102.543 -13.828 34.352 1.00 0.00 H new ATOM 0 HA SER B 24 104.445 -12.722 32.476 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.697 -12.784 34.991 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.859 -14.527 34.911 1.00 0.00 H new ATOM 0 HG SER B 24 106.927 -13.451 34.884 1.00 0.00 H new ATOM 1227 N ASP B 25 104.067 -15.990 32.578 1.00 0.00 N ATOM 1228 CA ASP B 25 104.406 -17.238 31.836 1.00 0.00 C ATOM 1229 C ASP B 25 104.010 -17.094 30.365 1.00 0.00 C ATOM 1230 O ASP B 25 104.718 -17.525 29.476 1.00 0.00 O ATOM 1231 CB ASP B 25 103.651 -18.416 32.456 1.00 0.00 C ATOM 1232 CG ASP B 25 103.995 -19.701 31.701 1.00 0.00 C ATOM 1233 OD1 ASP B 25 103.380 -19.946 30.677 1.00 0.00 O ATOM 1234 OD2 ASP B 25 104.868 -20.419 32.162 1.00 0.00 O ATOM 0 H ASP B 25 103.401 -16.108 33.341 1.00 0.00 H new ATOM 0 HA ASP B 25 105.480 -17.415 31.900 1.00 0.00 H new ATOM 0 HB2 ASP B 25 103.917 -18.518 33.508 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.577 -18.235 32.415 1.00 0.00 H new ATOM 1239 N PHE B 26 102.880 -16.491 30.101 1.00 0.00 N ATOM 1240 CA PHE B 26 102.422 -16.315 28.687 1.00 0.00 C ATOM 1241 C PHE B 26 102.757 -14.899 28.214 1.00 0.00 C ATOM 1242 O PHE B 26 102.469 -14.525 27.094 1.00 0.00 O ATOM 1243 CB PHE B 26 100.909 -16.530 28.614 1.00 0.00 C ATOM 1244 CG PHE B 26 100.599 -17.999 28.792 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.705 -18.870 27.700 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.205 -18.488 30.043 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.418 -20.231 27.861 1.00 0.00 C ATOM 1248 CE2 PHE B 26 99.917 -19.849 30.203 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.023 -20.720 29.112 1.00 0.00 C ATOM 0 H PHE B 26 102.250 -16.110 30.807 1.00 0.00 H new ATOM 0 HA PHE B 26 102.926 -17.040 28.048 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.410 -15.946 29.387 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.527 -16.181 27.655 1.00 0.00 H new ATOM 0 HD1 PHE B 26 101.008 -18.492 26.735 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.123 -17.816 30.884 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.501 -20.904 27.020 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.613 -20.227 31.168 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.800 -21.769 29.235 1.00 0.00 H new ATOM 1259 N ASN B 27 103.362 -14.113 29.057 1.00 0.00 N ATOM 1260 CA ASN B 27 103.719 -12.721 28.659 1.00 0.00 C ATOM 1261 C ASN B 27 102.481 -11.993 28.128 1.00 0.00 C ATOM 1262 O ASN B 27 102.542 -11.311 27.124 1.00 0.00 O ATOM 1263 CB ASN B 27 104.800 -12.748 27.575 1.00 0.00 C ATOM 1264 CG ASN B 27 106.057 -13.430 28.118 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.486 -13.151 29.220 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.678 -14.310 27.381 1.00 0.00 N ATOM 0 H ASN B 27 103.626 -14.373 30.007 1.00 0.00 H new ATOM 0 HA ASN B 27 104.099 -12.193 29.534 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.435 -13.282 26.697 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.034 -11.732 27.256 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.523 -14.763 27.730 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.319 -14.545 26.456 1.00 0.00 H new ATOM 1273 N LEU B 28 101.362 -12.119 28.802 1.00 0.00 N ATOM 1274 CA LEU B 28 100.112 -11.419 28.354 1.00 0.00 C ATOM 1275 C LEU B 28 99.763 -10.364 29.407 1.00 0.00 C ATOM 1276 O LEU B 28 100.073 -10.534 30.567 1.00 0.00 O ATOM 1277 CB LEU B 28 98.959 -12.431 28.266 1.00 0.00 C ATOM 1278 CG LEU B 28 99.194 -13.415 27.108 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.329 -14.662 27.318 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.813 -12.768 25.767 1.00 0.00 C ATOM 0 H LEU B 28 101.259 -12.679 29.648 1.00 0.00 H new ATOM 0 HA LEU B 28 100.265 -10.961 27.377 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.875 -12.978 29.205 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.016 -11.905 28.118 1.00 0.00 H new ATOM 0 HG LEU B 28 100.250 -13.685 27.089 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.494 -15.361 26.498 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.599 -15.138 28.261 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.278 -14.375 27.345 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.986 -13.478 24.958 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.760 -12.487 25.785 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.423 -11.879 25.606 1.00 0.00 H new ATOM 1292 N PRO B 29 99.124 -9.284 29.030 1.00 0.00 N ATOM 1293 CA PRO B 29 98.753 -8.224 30.007 1.00 0.00 C ATOM 1294 C PRO B 29 97.677 -8.736 30.990 1.00 0.00 C ATOM 1295 O PRO B 29 96.832 -9.523 30.617 1.00 0.00 O ATOM 1296 CB PRO B 29 98.220 -7.080 29.128 1.00 0.00 C ATOM 1297 CG PRO B 29 97.773 -7.739 27.860 1.00 0.00 C ATOM 1298 CD PRO B 29 98.691 -8.949 27.661 1.00 0.00 C ATOM 0 HA PRO B 29 99.590 -7.908 30.630 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.395 -6.561 29.615 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.994 -6.338 28.935 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.730 -8.049 27.929 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.846 -7.052 27.017 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.163 -9.780 27.193 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.539 -8.708 27.020 1.00 0.00 H new ATOM 1306 N PRO B 30 97.707 -8.312 32.235 1.00 0.00 N ATOM 1307 CA PRO B 30 96.719 -8.766 33.257 1.00 0.00 C ATOM 1308 C PRO B 30 95.293 -8.875 32.708 1.00 0.00 C ATOM 1309 O PRO B 30 94.437 -9.500 33.299 1.00 0.00 O ATOM 1310 CB PRO B 30 96.789 -7.668 34.325 1.00 0.00 C ATOM 1311 CG PRO B 30 98.194 -7.150 34.261 1.00 0.00 C ATOM 1312 CD PRO B 30 98.676 -7.353 32.815 1.00 0.00 C ATOM 0 HA PRO B 30 96.954 -9.766 33.622 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.067 -6.876 34.124 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.560 -8.065 35.314 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.230 -6.096 34.536 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.836 -7.685 34.961 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.684 -6.413 32.263 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.692 -7.748 32.786 1.00 0.00 H new ATOM 1320 N VAL B 31 95.021 -8.251 31.604 1.00 0.00 N ATOM 1321 CA VAL B 31 93.640 -8.297 31.056 1.00 0.00 C ATOM 1322 C VAL B 31 93.222 -9.740 30.762 1.00 0.00 C ATOM 1323 O VAL B 31 92.159 -10.173 31.161 1.00 0.00 O ATOM 1324 CB VAL B 31 93.588 -7.455 29.776 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.254 -7.669 29.056 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.740 -5.977 30.140 1.00 0.00 C ATOM 0 H VAL B 31 95.691 -7.711 31.056 1.00 0.00 H new ATOM 0 HA VAL B 31 92.945 -7.892 31.792 1.00 0.00 H new ATOM 0 HB VAL B 31 94.399 -7.759 29.114 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.229 -7.066 28.149 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.146 -8.722 28.795 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.435 -7.372 29.711 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.704 -5.373 29.233 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.929 -5.681 30.806 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.696 -5.822 30.641 1.00 0.00 H new ATOM 1336 N VAL B 32 94.027 -10.488 30.069 1.00 0.00 N ATOM 1337 CA VAL B 32 93.633 -11.893 29.767 1.00 0.00 C ATOM 1338 C VAL B 32 93.621 -12.712 31.062 1.00 0.00 C ATOM 1339 O VAL B 32 92.739 -13.516 31.295 1.00 0.00 O ATOM 1340 CB VAL B 32 94.628 -12.507 28.778 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.363 -14.010 28.642 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.468 -11.835 27.414 1.00 0.00 C ATOM 0 H VAL B 32 94.932 -10.195 29.700 1.00 0.00 H new ATOM 0 HA VAL B 32 92.637 -11.901 29.325 1.00 0.00 H new ATOM 0 HB VAL B 32 95.643 -12.353 29.145 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.073 -14.442 27.937 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.479 -14.489 29.614 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.348 -14.169 28.278 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.175 -12.271 26.709 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.452 -11.988 27.050 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.662 -10.767 27.510 1.00 0.00 H new ATOM 1352 N ALA B 33 94.601 -12.519 31.902 1.00 0.00 N ATOM 1353 CA ALA B 33 94.659 -13.291 33.177 1.00 0.00 C ATOM 1354 C ALA B 33 93.431 -12.978 34.042 1.00 0.00 C ATOM 1355 O ALA B 33 92.824 -13.863 34.614 1.00 0.00 O ATOM 1356 CB ALA B 33 95.934 -12.914 33.936 1.00 0.00 C ATOM 0 H ALA B 33 95.366 -11.859 31.761 1.00 0.00 H new ATOM 0 HA ALA B 33 94.666 -14.357 32.951 1.00 0.00 H new ATOM 0 HB1 ALA B 33 95.981 -13.476 34.869 1.00 0.00 H new ATOM 0 HB2 ALA B 33 96.805 -13.151 33.325 1.00 0.00 H new ATOM 0 HB3 ALA B 33 95.925 -11.846 34.155 1.00 0.00 H new ATOM 1362 N LYS B 34 93.057 -11.731 34.139 1.00 0.00 N ATOM 1363 CA LYS B 34 91.866 -11.371 34.961 1.00 0.00 C ATOM 1364 C LYS B 34 90.614 -12.055 34.407 1.00 0.00 C ATOM 1365 O LYS B 34 89.768 -12.509 35.151 1.00 0.00 O ATOM 1366 CB LYS B 34 91.695 -9.849 34.989 1.00 0.00 C ATOM 1367 CG LYS B 34 92.777 -9.245 35.895 1.00 0.00 C ATOM 1368 CD LYS B 34 92.632 -7.726 35.943 1.00 0.00 C ATOM 1369 CE LYS B 34 93.716 -7.137 36.850 1.00 0.00 C ATOM 1370 NZ LYS B 34 93.670 -5.650 36.772 1.00 0.00 N ATOM 0 H LYS B 34 93.524 -10.946 33.685 1.00 0.00 H new ATOM 0 HA LYS B 34 92.016 -11.720 35.983 1.00 0.00 H new ATOM 0 HB2 LYS B 34 91.776 -9.442 33.981 1.00 0.00 H new ATOM 0 HB3 LYS B 34 90.704 -9.588 35.359 1.00 0.00 H new ATOM 0 HG2 LYS B 34 92.693 -9.658 36.900 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.766 -9.512 35.522 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.718 -7.310 34.939 1.00 0.00 H new ATOM 0 HD3 LYS B 34 91.644 -7.456 36.317 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.562 -7.463 37.879 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.698 -7.498 36.544 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.405 -5.247 37.387 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 93.836 -5.349 35.791 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.736 -5.315 37.084 1.00 0.00 H new ATOM 1384 N GLU B 35 90.479 -12.130 33.113 1.00 0.00 N ATOM 1385 CA GLU B 35 89.269 -12.781 32.535 1.00 0.00 C ATOM 1386 C GLU B 35 89.197 -14.237 33.001 1.00 0.00 C ATOM 1387 O GLU B 35 88.137 -14.740 33.317 1.00 0.00 O ATOM 1388 CB GLU B 35 89.355 -12.740 31.004 1.00 0.00 C ATOM 1389 CG GLU B 35 88.125 -13.422 30.385 1.00 0.00 C ATOM 1390 CD GLU B 35 88.298 -14.946 30.393 1.00 0.00 C ATOM 1391 OE1 GLU B 35 89.430 -15.399 30.338 1.00 0.00 O ATOM 1392 OE2 GLU B 35 87.293 -15.635 30.454 1.00 0.00 O ATOM 0 H GLU B 35 91.149 -11.771 32.433 1.00 0.00 H new ATOM 0 HA GLU B 35 88.377 -12.251 32.867 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.417 -11.706 30.664 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.264 -13.240 30.670 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.230 -13.148 30.944 1.00 0.00 H new ATOM 0 HG3 GLU B 35 87.983 -13.071 29.363 1.00 0.00 H new ATOM 1399 N ILE B 36 90.307 -14.922 33.058 1.00 0.00 N ATOM 1400 CA ILE B 36 90.272 -16.341 33.516 1.00 0.00 C ATOM 1401 C ILE B 36 89.775 -16.382 34.963 1.00 0.00 C ATOM 1402 O ILE B 36 88.996 -17.233 35.341 1.00 0.00 O ATOM 1403 CB ILE B 36 91.679 -16.940 33.426 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.067 -17.080 31.951 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.700 -18.321 34.095 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.567 -17.350 31.840 1.00 0.00 C ATOM 0 H ILE B 36 91.229 -14.565 32.810 1.00 0.00 H new ATOM 0 HA ILE B 36 89.600 -16.922 32.885 1.00 0.00 H new ATOM 0 HB ILE B 36 92.388 -16.287 33.935 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.506 -17.894 31.492 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.810 -16.170 31.409 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.703 -18.742 34.028 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.417 -18.222 35.143 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.995 -18.981 33.590 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.842 -17.449 30.790 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.120 -16.521 32.283 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.811 -18.272 32.368 1.00 0.00 H new ATOM 1418 N VAL B 37 90.208 -15.450 35.768 1.00 0.00 N ATOM 1419 CA VAL B 37 89.751 -15.410 37.186 1.00 0.00 C ATOM 1420 C VAL B 37 88.245 -15.155 37.212 1.00 0.00 C ATOM 1421 O VAL B 37 87.515 -15.728 37.997 1.00 0.00 O ATOM 1422 CB VAL B 37 90.486 -14.281 37.916 1.00 0.00 C ATOM 1423 CG1 VAL B 37 89.854 -14.041 39.294 1.00 0.00 C ATOM 1424 CG2 VAL B 37 91.958 -14.673 38.091 1.00 0.00 C ATOM 0 H VAL B 37 90.861 -14.712 35.503 1.00 0.00 H new ATOM 0 HA VAL B 37 89.966 -16.357 37.681 1.00 0.00 H new ATOM 0 HB VAL B 37 90.411 -13.365 37.330 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.385 -13.237 39.803 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.807 -13.764 39.171 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.920 -14.952 39.888 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.488 -13.874 38.610 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.023 -15.591 38.675 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.411 -14.833 37.112 1.00 0.00 H new ATOM 1434 N ALA B 38 87.780 -14.296 36.352 1.00 0.00 N ATOM 1435 CA ALA B 38 86.324 -13.987 36.305 1.00 0.00 C ATOM 1436 C ALA B 38 85.548 -15.230 35.856 1.00 0.00 C ATOM 1437 O ALA B 38 84.469 -15.507 36.340 1.00 0.00 O ATOM 1438 CB ALA B 38 86.082 -12.843 35.316 1.00 0.00 C ATOM 0 H ALA B 38 88.350 -13.790 35.674 1.00 0.00 H new ATOM 0 HA ALA B 38 85.982 -13.690 37.296 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.017 -12.614 35.279 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.632 -11.960 35.640 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.424 -13.140 34.325 1.00 0.00 H new ATOM 1444 N SER B 39 86.082 -15.970 34.921 1.00 0.00 N ATOM 1445 CA SER B 39 85.363 -17.182 34.430 1.00 0.00 C ATOM 1446 C SER B 39 85.410 -18.290 35.483 1.00 0.00 C ATOM 1447 O SER B 39 84.439 -18.987 35.701 1.00 0.00 O ATOM 1448 CB SER B 39 86.024 -17.676 33.145 1.00 0.00 C ATOM 1449 OG SER B 39 85.807 -16.726 32.110 1.00 0.00 O ATOM 0 H SER B 39 86.982 -15.789 34.477 1.00 0.00 H new ATOM 0 HA SER B 39 84.322 -16.922 34.236 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.093 -17.820 33.304 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.611 -18.643 32.859 1.00 0.00 H new ATOM 0 HG SER B 39 86.667 -16.472 31.714 1.00 0.00 H new ATOM 1455 N CYS B 40 86.519 -18.461 36.143 1.00 0.00 N ATOM 1456 CA CYS B 40 86.598 -19.527 37.180 1.00 0.00 C ATOM 1457 C CYS B 40 85.847 -19.054 38.427 1.00 0.00 C ATOM 1458 O CYS B 40 86.246 -18.116 39.088 1.00 0.00 O ATOM 1459 CB CYS B 40 88.060 -19.810 37.523 1.00 0.00 C ATOM 1460 SG CYS B 40 88.172 -21.339 38.488 1.00 0.00 S ATOM 0 H CYS B 40 87.370 -17.914 36.012 1.00 0.00 H new ATOM 0 HA CYS B 40 86.146 -20.445 36.805 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.648 -19.901 36.609 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.479 -18.979 38.090 1.00 0.00 H new ATOM 0 HG CYS B 40 89.206 -22.023 38.098 1.00 0.00 H new ATOM 1465 N ASP B 41 84.750 -19.687 38.740 1.00 0.00 N ATOM 1466 CA ASP B 41 83.953 -19.271 39.928 1.00 0.00 C ATOM 1467 C ASP B 41 84.796 -19.382 41.201 1.00 0.00 C ATOM 1468 O ASP B 41 84.723 -18.544 42.078 1.00 0.00 O ATOM 1469 CB ASP B 41 82.722 -20.175 40.050 1.00 0.00 C ATOM 1470 CG ASP B 41 81.684 -19.771 38.999 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.051 -18.746 39.186 1.00 0.00 O ATOM 1472 OD2 ASP B 41 81.541 -20.495 38.028 1.00 0.00 O ATOM 0 H ASP B 41 84.370 -20.479 38.221 1.00 0.00 H new ATOM 0 HA ASP B 41 83.642 -18.234 39.803 1.00 0.00 H new ATOM 0 HB2 ASP B 41 83.008 -21.218 39.911 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.294 -20.092 41.049 1.00 0.00 H new ATOM 1477 N LYS B 42 85.585 -20.411 41.318 1.00 0.00 N ATOM 1478 CA LYS B 42 86.414 -20.568 42.547 1.00 0.00 C ATOM 1479 C LYS B 42 87.368 -19.379 42.689 1.00 0.00 C ATOM 1480 O LYS B 42 87.590 -18.882 43.775 1.00 0.00 O ATOM 1481 CB LYS B 42 87.231 -21.862 42.451 1.00 0.00 C ATOM 1482 CG LYS B 42 86.302 -23.086 42.393 1.00 0.00 C ATOM 1483 CD LYS B 42 85.681 -23.363 43.771 1.00 0.00 C ATOM 1484 CE LYS B 42 85.072 -24.767 43.779 1.00 0.00 C ATOM 1485 NZ LYS B 42 83.954 -24.827 42.795 1.00 0.00 N ATOM 0 H LYS B 42 85.693 -21.148 40.621 1.00 0.00 H new ATOM 0 HA LYS B 42 85.758 -20.610 43.416 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.862 -21.835 41.562 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.895 -21.944 43.311 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.513 -22.915 41.661 1.00 0.00 H new ATOM 0 HG3 LYS B 42 86.863 -23.959 42.059 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.441 -23.279 44.548 1.00 0.00 H new ATOM 0 HD3 LYS B 42 84.915 -22.620 43.993 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.832 -25.507 43.528 1.00 0.00 H new ATOM 0 HE3 LYS B 42 84.707 -25.011 44.776 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 83.411 -25.702 42.939 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 83.329 -24.006 42.929 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 84.340 -24.814 41.829 1.00 0.00 H new ATOM 1499 N CYS B 43 87.940 -18.918 41.610 1.00 0.00 N ATOM 1500 CA CYS B 43 88.881 -17.764 41.709 1.00 0.00 C ATOM 1501 C CYS B 43 88.098 -16.456 41.858 1.00 0.00 C ATOM 1502 O CYS B 43 88.589 -15.489 42.407 1.00 0.00 O ATOM 1503 CB CYS B 43 89.740 -17.673 40.446 1.00 0.00 C ATOM 1504 SG CYS B 43 90.506 -19.273 40.100 1.00 0.00 S ATOM 0 H CYS B 43 87.798 -19.287 40.670 1.00 0.00 H new ATOM 0 HA CYS B 43 89.518 -17.918 42.580 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.125 -17.365 39.600 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.510 -16.912 40.574 1.00 0.00 H new ATOM 0 HG CYS B 43 89.634 -20.060 39.542 1.00 0.00 H new ATOM 1509 N GLN B 44 86.896 -16.403 41.350 1.00 0.00 N ATOM 1510 CA GLN B 44 86.107 -15.140 41.441 1.00 0.00 C ATOM 1511 C GLN B 44 85.550 -14.953 42.852 1.00 0.00 C ATOM 1512 O GLN B 44 86.024 -14.130 43.611 1.00 0.00 O ATOM 1513 CB GLN B 44 84.949 -15.193 40.438 1.00 0.00 C ATOM 1514 CG GLN B 44 84.132 -13.899 40.523 1.00 0.00 C ATOM 1515 CD GLN B 44 83.056 -13.893 39.433 1.00 0.00 C ATOM 1516 OE1 GLN B 44 82.086 -13.168 39.530 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.185 -14.672 38.393 1.00 0.00 N ATOM 0 H GLN B 44 86.428 -17.176 40.878 1.00 0.00 H new ATOM 0 HA GLN B 44 86.762 -14.299 41.211 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.336 -15.324 39.428 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.311 -16.052 40.649 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.668 -13.815 41.506 1.00 0.00 H new ATOM 0 HG3 GLN B 44 84.787 -13.036 40.405 1.00 0.00 H new ATOM 0 HE21 GLN B 44 83.999 -15.281 38.310 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.472 -14.671 37.664 1.00 0.00 H new