USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=22 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= -2.93 K(o=-5.4,f=-9.6!) USER MOD Set 1.2: B 16 HIS : no HD1:sc= -1.3 K(o=-5.4,f=-6.7!) USER MOD Set 1.3: B 40 CYS SG : rot 162:sc= 0.904 USER MOD Set 1.4: B 43 CYS SG : rot 78:sc= -2.04 USER MOD Set 2.1: A 12 HIS : no HE2:sc= -2.69 K(o=-5.3,f=-10!) USER MOD Set 2.2: A 16 HIS : no HD1:sc= -1.4 K(o=-5.3,f=-6.6!) USER MOD Set 2.3: A 40 CYS SG : rot 162:sc= 0.9 USER MOD Set 2.4: A 43 CYS SG : rot 77:sc= -2.13 USER MOD Single : A 1 PHE N :NH3+ 158:sc= 1.05 (180deg=0.379) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -78:sc= 0.875 USER MOD Single : A 18 ASN : amide:sc= -0.0713 K(o=-0.071,f=-1.9!) USER MOD Single : A 22 MET CE :methyl -157:sc= -0.172 (180deg=-1.27) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0467 K(o=-0.047,f=-1.8!) USER MOD Single : A 34 LYS NZ :NH3+ 153:sc= -0.121 (180deg=-0.843) USER MOD Single : A 39 SER OG : rot 77:sc= 0.702 USER MOD Single : A 42 LYS NZ :NH3+ 152:sc= -0.0862 (180deg=-0.687) USER MOD Single : A 44 GLN : amide:sc= -1.65 K(o=-1.6,f=-2.2) USER MOD Single : B 1 PHE N :NH3+ 158:sc= 1.09 (180deg=0.417) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -83:sc= 0.835 USER MOD Single : B 18 ASN : amide:sc= -0.0215 K(o=-0.021,f=-1.9!) USER MOD Single : B 22 MET CE :methyl -152:sc= -0.149 (180deg=-1.24) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.0265 K(o=-0.027,f=-1.8!) USER MOD Single : B 34 LYS NZ :NH3+ 153:sc= -0.11 (180deg=-0.769) USER MOD Single : B 39 SER OG : rot 69:sc= 0.784 USER MOD Single : B 42 LYS NZ :NH3+ 123:sc= -0.0933 (180deg=-0.705) USER MOD Single : B 44 GLN : amide:sc= -2.14 X(o=-2.1,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.917 -3.489 24.297 1.00 0.00 N ATOM 2 CA PHE A 1 94.278 -4.080 25.504 1.00 0.00 C ATOM 3 C PHE A 1 93.854 -2.966 26.463 1.00 0.00 C ATOM 4 O PHE A 1 92.694 -2.617 26.557 1.00 0.00 O ATOM 5 CB PHE A 1 95.276 -4.994 26.221 1.00 0.00 C ATOM 6 CG PHE A 1 95.570 -6.211 25.375 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.467 -6.117 24.305 1.00 0.00 C ATOM 8 CD2 PHE A 1 94.957 -7.436 25.667 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.752 -7.246 23.526 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.239 -8.565 24.889 1.00 0.00 C ATOM 11 CZ PHE A 1 96.138 -8.470 23.819 1.00 0.00 C ATOM 0 H1 PHE A 1 95.521 -4.202 23.840 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.181 -3.180 23.630 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.496 -2.672 24.576 1.00 0.00 H new ATOM 0 HA PHE A 1 93.404 -4.654 25.195 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.199 -4.450 26.422 1.00 0.00 H new ATOM 0 HB3 PHE A 1 94.871 -5.301 27.185 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.940 -5.173 24.079 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.266 -7.510 26.494 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.444 -7.172 22.700 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.764 -9.509 25.114 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.358 -9.341 23.220 1.00 0.00 H new ATOM 23 N LEU A 2 94.791 -2.421 27.190 1.00 0.00 N ATOM 24 CA LEU A 2 94.458 -1.346 28.166 1.00 0.00 C ATOM 25 C LEU A 2 93.838 -0.146 27.439 1.00 0.00 C ATOM 26 O LEU A 2 92.912 0.472 27.925 1.00 0.00 O ATOM 27 CB LEU A 2 95.744 -0.894 28.872 1.00 0.00 C ATOM 28 CG LEU A 2 96.388 -2.075 29.616 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.712 -1.617 30.238 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.453 -2.586 30.723 1.00 0.00 C ATOM 0 H LEU A 2 95.778 -2.676 27.149 1.00 0.00 H new ATOM 0 HA LEU A 2 93.744 -1.732 28.893 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.445 -0.490 28.142 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.518 -0.092 29.575 1.00 0.00 H new ATOM 0 HG LEU A 2 96.568 -2.884 28.908 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.173 -2.451 30.767 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.383 -1.271 29.452 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.523 -0.803 30.938 1.00 0.00 H new ATOM 0 HD21 LEU A 2 95.924 -3.422 31.240 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.258 -1.783 31.434 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.513 -2.916 30.281 1.00 0.00 H new ATOM 42 N ASP A 3 94.348 0.196 26.287 1.00 0.00 N ATOM 43 CA ASP A 3 93.793 1.367 25.543 1.00 0.00 C ATOM 44 C ASP A 3 92.315 1.143 25.222 1.00 0.00 C ATOM 45 O ASP A 3 91.480 1.988 25.476 1.00 0.00 O ATOM 46 CB ASP A 3 94.564 1.543 24.236 1.00 0.00 C ATOM 47 CG ASP A 3 94.004 2.740 23.465 1.00 0.00 C ATOM 48 OD1 ASP A 3 93.014 3.296 23.911 1.00 0.00 O ATOM 49 OD2 ASP A 3 94.573 3.079 22.441 1.00 0.00 O ATOM 0 H ASP A 3 95.123 -0.282 25.828 1.00 0.00 H new ATOM 0 HA ASP A 3 93.892 2.258 26.163 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.623 1.696 24.445 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.485 0.639 23.631 1.00 0.00 H new ATOM 54 N GLY A 4 91.984 0.013 24.666 1.00 0.00 N ATOM 55 CA GLY A 4 90.560 -0.264 24.327 1.00 0.00 C ATOM 56 C GLY A 4 89.722 -0.222 25.601 1.00 0.00 C ATOM 57 O GLY A 4 88.614 0.278 25.616 1.00 0.00 O ATOM 0 H GLY A 4 92.639 -0.733 24.431 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.194 0.473 23.613 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.471 -1.241 23.851 1.00 0.00 H new ATOM 61 N ILE A 5 90.244 -0.751 26.669 1.00 0.00 N ATOM 62 CA ILE A 5 89.489 -0.758 27.951 1.00 0.00 C ATOM 63 C ILE A 5 89.275 0.675 28.448 1.00 0.00 C ATOM 64 O ILE A 5 88.222 1.011 28.953 1.00 0.00 O ATOM 65 CB ILE A 5 90.285 -1.558 28.989 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.246 -3.041 28.608 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.686 -1.355 30.385 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.227 -3.826 29.483 1.00 0.00 C ATOM 0 H ILE A 5 91.168 -1.182 26.710 1.00 0.00 H new ATOM 0 HA ILE A 5 88.513 -1.218 27.797 1.00 0.00 H new ATOM 0 HB ILE A 5 91.318 -1.211 29.005 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.237 -3.432 28.736 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.505 -3.163 27.556 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.259 -1.928 31.114 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.721 -0.297 30.646 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.651 -1.695 30.390 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.196 -4.880 29.209 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.236 -3.442 29.333 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.948 -3.716 30.531 1.00 0.00 H new ATOM 80 N ASP A 6 90.256 1.518 28.320 1.00 0.00 N ATOM 81 CA ASP A 6 90.089 2.919 28.799 1.00 0.00 C ATOM 82 C ASP A 6 88.930 3.579 28.055 1.00 0.00 C ATOM 83 O ASP A 6 88.067 4.192 28.650 1.00 0.00 O ATOM 84 CB ASP A 6 91.374 3.706 28.546 1.00 0.00 C ATOM 85 CG ASP A 6 91.196 5.142 29.041 1.00 0.00 C ATOM 86 OD1 ASP A 6 91.322 5.356 30.235 1.00 0.00 O ATOM 87 OD2 ASP A 6 90.942 6.003 28.216 1.00 0.00 O ATOM 0 H ASP A 6 91.163 1.302 27.907 1.00 0.00 H new ATOM 0 HA ASP A 6 89.876 2.911 29.868 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.210 3.233 29.061 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.612 3.703 27.482 1.00 0.00 H new ATOM 92 N LYS A 7 88.898 3.457 26.758 1.00 0.00 N ATOM 93 CA LYS A 7 87.786 4.079 25.988 1.00 0.00 C ATOM 94 C LYS A 7 86.485 3.341 26.308 1.00 0.00 C ATOM 95 O LYS A 7 85.440 3.938 26.467 1.00 0.00 O ATOM 96 CB LYS A 7 88.090 3.966 24.492 1.00 0.00 C ATOM 97 CG LYS A 7 89.256 4.892 24.141 1.00 0.00 C ATOM 98 CD LYS A 7 89.567 4.786 22.647 1.00 0.00 C ATOM 99 CE LYS A 7 90.735 5.714 22.304 1.00 0.00 C ATOM 100 NZ LYS A 7 91.270 5.363 20.958 1.00 0.00 N ATOM 0 H LYS A 7 89.590 2.956 26.200 1.00 0.00 H new ATOM 0 HA LYS A 7 87.684 5.130 26.259 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.339 2.936 24.237 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.209 4.235 23.909 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.006 5.921 24.398 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.136 4.622 24.725 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.818 3.757 22.389 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.689 5.057 22.061 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.404 6.752 22.316 1.00 0.00 H new ATOM 0 HE3 LYS A 7 91.520 5.621 23.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 92.064 5.993 20.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 91.601 4.377 20.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 90.520 5.473 20.247 1.00 0.00 H new ATOM 114 N ALA A 8 86.553 2.044 26.416 1.00 0.00 N ATOM 115 CA ALA A 8 85.334 1.247 26.741 1.00 0.00 C ATOM 116 C ALA A 8 84.917 1.502 28.192 1.00 0.00 C ATOM 117 O ALA A 8 83.749 1.467 28.527 1.00 0.00 O ATOM 118 CB ALA A 8 85.630 -0.240 26.547 1.00 0.00 C ATOM 0 H ALA A 8 87.405 1.497 26.293 1.00 0.00 H new ATOM 0 HA ALA A 8 84.522 1.546 26.078 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.740 -0.822 26.784 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.917 -0.422 25.511 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.445 -0.538 27.207 1.00 0.00 H new ATOM 124 N GLN A 9 85.864 1.737 29.061 1.00 0.00 N ATOM 125 CA GLN A 9 85.523 1.970 30.494 1.00 0.00 C ATOM 126 C GLN A 9 84.632 3.207 30.609 1.00 0.00 C ATOM 127 O GLN A 9 84.953 4.268 30.112 1.00 0.00 O ATOM 128 CB GLN A 9 86.816 2.187 31.289 1.00 0.00 C ATOM 129 CG GLN A 9 86.496 2.347 32.776 1.00 0.00 C ATOM 130 CD GLN A 9 87.802 2.508 33.560 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.874 2.346 33.012 1.00 0.00 O ATOM 132 NE2 GLN A 9 87.759 2.805 34.830 1.00 0.00 N ATOM 0 H GLN A 9 86.859 1.778 28.840 1.00 0.00 H new ATOM 0 HA GLN A 9 84.991 1.106 30.893 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.489 1.342 31.142 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.333 3.074 30.923 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.856 3.216 32.931 1.00 0.00 H new ATOM 0 HG3 GLN A 9 85.946 1.478 33.137 1.00 0.00 H new ATOM 0 HE21 GLN A 9 86.860 2.941 35.292 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.625 2.901 35.361 1.00 0.00 H new ATOM 141 N GLU A 10 83.507 3.072 31.258 1.00 0.00 N ATOM 142 CA GLU A 10 82.571 4.226 31.411 1.00 0.00 C ATOM 143 C GLU A 10 81.813 4.086 32.731 1.00 0.00 C ATOM 144 O GLU A 10 82.192 3.327 33.600 1.00 0.00 O ATOM 145 CB GLU A 10 81.571 4.243 30.250 1.00 0.00 C ATOM 146 CG GLU A 10 82.273 4.685 28.963 1.00 0.00 C ATOM 147 CD GLU A 10 81.255 4.746 27.823 1.00 0.00 C ATOM 148 OE1 GLU A 10 80.477 3.814 27.702 1.00 0.00 O ATOM 149 OE2 GLU A 10 81.270 5.722 27.091 1.00 0.00 O ATOM 0 H GLU A 10 83.193 2.205 31.693 1.00 0.00 H new ATOM 0 HA GLU A 10 83.140 5.156 31.407 1.00 0.00 H new ATOM 0 HB2 GLU A 10 81.139 3.251 30.116 1.00 0.00 H new ATOM 0 HB3 GLU A 10 80.748 4.921 30.477 1.00 0.00 H new ATOM 0 HG2 GLU A 10 82.735 5.662 29.105 1.00 0.00 H new ATOM 0 HG3 GLU A 10 83.073 3.987 28.714 1.00 0.00 H new ATOM 156 N GLU A 11 80.746 4.818 32.889 1.00 0.00 N ATOM 157 CA GLU A 11 79.960 4.735 34.151 1.00 0.00 C ATOM 158 C GLU A 11 79.057 3.497 34.113 1.00 0.00 C ATOM 159 O GLU A 11 78.718 2.996 33.058 1.00 0.00 O ATOM 160 CB GLU A 11 79.108 5.998 34.290 1.00 0.00 C ATOM 161 CG GLU A 11 80.019 7.193 34.579 1.00 0.00 C ATOM 162 CD GLU A 11 79.182 8.472 34.640 1.00 0.00 C ATOM 163 OE1 GLU A 11 78.201 8.549 33.919 1.00 0.00 O ATOM 164 OE2 GLU A 11 79.539 9.354 35.404 1.00 0.00 O ATOM 0 H GLU A 11 80.383 5.472 32.196 1.00 0.00 H new ATOM 0 HA GLU A 11 80.634 4.655 35.004 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.541 6.171 33.375 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.384 5.875 35.095 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.543 7.044 35.523 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.779 7.280 33.803 1.00 0.00 H new ATOM 171 N HIS A 12 78.669 2.996 35.256 1.00 0.00 N ATOM 172 CA HIS A 12 77.795 1.785 35.287 1.00 0.00 C ATOM 173 C HIS A 12 76.403 2.148 34.770 1.00 0.00 C ATOM 174 O HIS A 12 75.451 2.227 35.520 1.00 0.00 O ATOM 175 CB HIS A 12 77.688 1.284 36.729 1.00 0.00 C ATOM 176 CG HIS A 12 76.807 0.063 36.792 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.301 -1.224 36.610 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.467 -0.087 37.059 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.271 -2.084 36.777 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.137 -1.438 37.050 1.00 0.00 N ATOM 0 H HIS A 12 78.919 3.373 36.170 1.00 0.00 H new ATOM 0 HA HIS A 12 78.223 1.006 34.656 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.680 1.046 37.113 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.280 2.069 37.365 1.00 0.00 H new ATOM 0 HD1 HIS A 12 78.265 -1.474 36.390 1.00 0.00 H new ATOM 0 HD2 HIS A 12 74.776 0.721 37.247 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.356 -3.158 36.699 1.00 0.00 H new ATOM 188 N GLU A 13 76.285 2.372 33.486 1.00 0.00 N ATOM 189 CA GLU A 13 74.962 2.734 32.892 1.00 0.00 C ATOM 190 C GLU A 13 74.347 1.501 32.224 1.00 0.00 C ATOM 191 O GLU A 13 74.585 0.380 32.626 1.00 0.00 O ATOM 192 CB GLU A 13 75.164 3.838 31.852 1.00 0.00 C ATOM 193 CG GLU A 13 75.805 5.049 32.528 1.00 0.00 C ATOM 194 CD GLU A 13 75.975 6.179 31.511 1.00 0.00 C ATOM 195 OE1 GLU A 13 76.312 5.883 30.376 1.00 0.00 O ATOM 196 OE2 GLU A 13 75.764 7.321 31.884 1.00 0.00 O ATOM 0 H GLU A 13 77.054 2.319 32.818 1.00 0.00 H new ATOM 0 HA GLU A 13 74.292 3.089 33.675 1.00 0.00 H new ATOM 0 HB2 GLU A 13 75.799 3.480 31.042 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.208 4.117 31.409 1.00 0.00 H new ATOM 0 HG2 GLU A 13 75.184 5.385 33.358 1.00 0.00 H new ATOM 0 HG3 GLU A 13 76.774 4.774 32.945 1.00 0.00 H new ATOM 203 N LYS A 14 73.549 1.701 31.211 1.00 0.00 N ATOM 204 CA LYS A 14 72.910 0.546 30.518 1.00 0.00 C ATOM 205 C LYS A 14 73.965 -0.245 29.742 1.00 0.00 C ATOM 206 O LYS A 14 73.850 -1.441 29.565 1.00 0.00 O ATOM 207 CB LYS A 14 71.843 1.060 29.548 1.00 0.00 C ATOM 208 CG LYS A 14 70.729 1.747 30.339 1.00 0.00 C ATOM 209 CD LYS A 14 69.658 2.263 29.377 1.00 0.00 C ATOM 210 CE LYS A 14 68.548 2.949 30.177 1.00 0.00 C ATOM 211 NZ LYS A 14 67.486 3.426 29.248 1.00 0.00 N ATOM 0 H LYS A 14 73.311 2.618 30.832 1.00 0.00 H new ATOM 0 HA LYS A 14 72.448 -0.105 31.260 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.286 1.760 28.839 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.435 0.233 28.967 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.288 1.047 31.048 1.00 0.00 H new ATOM 0 HG3 LYS A 14 71.138 2.573 30.920 1.00 0.00 H new ATOM 0 HD2 LYS A 14 70.097 2.964 28.668 1.00 0.00 H new ATOM 0 HD3 LYS A 14 69.247 1.438 28.796 1.00 0.00 H new ATOM 0 HE2 LYS A 14 68.126 2.254 30.902 1.00 0.00 H new ATOM 0 HE3 LYS A 14 68.957 3.788 30.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 66.732 3.892 29.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 67.894 4.103 28.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 67.089 2.616 28.730 1.00 0.00 H new ATOM 225 N TYR A 15 74.985 0.411 29.264 1.00 0.00 N ATOM 226 CA TYR A 15 76.033 -0.307 28.483 1.00 0.00 C ATOM 227 C TYR A 15 76.673 -1.396 29.352 1.00 0.00 C ATOM 228 O TYR A 15 76.950 -2.482 28.887 1.00 0.00 O ATOM 229 CB TYR A 15 77.110 0.694 28.042 1.00 0.00 C ATOM 230 CG TYR A 15 76.622 1.465 26.839 1.00 0.00 C ATOM 231 CD1 TYR A 15 76.793 0.940 25.552 1.00 0.00 C ATOM 232 CD2 TYR A 15 75.995 2.705 27.012 1.00 0.00 C ATOM 233 CE1 TYR A 15 76.338 1.656 24.439 1.00 0.00 C ATOM 234 CE2 TYR A 15 75.540 3.421 25.899 1.00 0.00 C ATOM 235 CZ TYR A 15 75.711 2.896 24.612 1.00 0.00 C ATOM 236 OH TYR A 15 75.263 3.602 23.515 1.00 0.00 O ATOM 0 H TYR A 15 75.139 1.413 29.380 1.00 0.00 H new ATOM 0 HA TYR A 15 75.579 -0.769 27.606 1.00 0.00 H new ATOM 0 HB2 TYR A 15 77.339 1.380 28.858 1.00 0.00 H new ATOM 0 HB3 TYR A 15 78.033 0.167 27.799 1.00 0.00 H new ATOM 0 HD1 TYR A 15 77.276 -0.017 25.419 1.00 0.00 H new ATOM 0 HD2 TYR A 15 75.862 3.109 28.005 1.00 0.00 H new ATOM 0 HE1 TYR A 15 76.471 1.252 23.446 1.00 0.00 H new ATOM 0 HE2 TYR A 15 75.057 4.378 26.032 1.00 0.00 H new ATOM 0 HH TYR A 15 74.851 4.441 23.811 1.00 0.00 H new ATOM 246 N HIS A 16 76.910 -1.121 30.606 1.00 0.00 N ATOM 247 CA HIS A 16 77.527 -2.157 31.479 1.00 0.00 C ATOM 248 C HIS A 16 76.615 -3.388 31.538 1.00 0.00 C ATOM 249 O HIS A 16 77.078 -4.511 31.510 1.00 0.00 O ATOM 250 CB HIS A 16 77.735 -1.588 32.894 1.00 0.00 C ATOM 251 CG HIS A 16 79.026 -0.812 32.951 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.786 -0.717 34.113 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.718 -0.116 31.991 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.881 0.011 33.820 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.885 0.400 32.543 1.00 0.00 N ATOM 0 H HIS A 16 76.705 -0.231 31.060 1.00 0.00 H new ATOM 0 HA HIS A 16 78.494 -2.448 31.068 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.900 -0.941 33.161 1.00 0.00 H new ATOM 0 HB3 HIS A 16 77.756 -2.399 33.622 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.404 0.011 30.965 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.659 0.250 34.530 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.596 0.959 32.071 1.00 0.00 H new ATOM 263 N SER A 17 75.327 -3.195 31.611 1.00 0.00 N ATOM 264 CA SER A 17 74.413 -4.371 31.663 1.00 0.00 C ATOM 265 C SER A 17 74.581 -5.197 30.385 1.00 0.00 C ATOM 266 O SER A 17 74.692 -6.407 30.427 1.00 0.00 O ATOM 267 CB SER A 17 72.965 -3.894 31.783 1.00 0.00 C ATOM 268 OG SER A 17 72.572 -3.272 30.566 1.00 0.00 O ATOM 0 H SER A 17 74.871 -2.283 31.637 1.00 0.00 H new ATOM 0 HA SER A 17 74.658 -4.986 32.529 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.309 -4.737 32.002 1.00 0.00 H new ATOM 0 HB3 SER A 17 72.869 -3.192 32.611 1.00 0.00 H new ATOM 0 HG SER A 17 72.944 -2.366 30.527 1.00 0.00 H new ATOM 274 N ASN A 18 74.617 -4.550 29.247 1.00 0.00 N ATOM 275 CA ASN A 18 74.797 -5.293 27.961 1.00 0.00 C ATOM 276 C ASN A 18 76.274 -5.273 27.567 1.00 0.00 C ATOM 277 O ASN A 18 76.728 -4.389 26.867 1.00 0.00 O ATOM 278 CB ASN A 18 73.961 -4.626 26.863 1.00 0.00 C ATOM 279 CG ASN A 18 72.476 -4.881 27.127 1.00 0.00 C ATOM 280 OD1 ASN A 18 72.123 -5.816 27.819 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.584 -4.086 26.602 1.00 0.00 N ATOM 0 H ASN A 18 74.529 -3.538 29.152 1.00 0.00 H new ATOM 0 HA ASN A 18 74.469 -6.325 28.086 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.159 -3.554 26.841 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.241 -5.022 25.887 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.592 -4.250 26.773 1.00 0.00 H new ATOM 0 HD22 ASN A 18 71.879 -3.301 26.021 1.00 0.00 H new ATOM 288 N TRP A 19 77.029 -6.244 28.003 1.00 0.00 N ATOM 289 CA TRP A 19 78.475 -6.280 27.644 1.00 0.00 C ATOM 290 C TRP A 19 78.617 -6.601 26.156 1.00 0.00 C ATOM 291 O TRP A 19 79.585 -6.232 25.521 1.00 0.00 O ATOM 292 CB TRP A 19 79.201 -7.338 28.480 1.00 0.00 C ATOM 293 CG TRP A 19 78.692 -8.704 28.145 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.753 -9.375 28.851 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.082 -9.578 27.046 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.543 -10.606 28.257 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.337 -10.777 27.142 1.00 0.00 C ATOM 298 CE3 TRP A 19 79.998 -9.449 25.986 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.497 -11.812 26.221 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.160 -10.489 25.057 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.411 -11.669 25.175 1.00 0.00 C ATOM 0 H TRP A 19 76.708 -7.013 28.591 1.00 0.00 H new ATOM 0 HA TRP A 19 78.922 -5.308 27.851 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.274 -7.286 28.293 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.053 -7.137 29.541 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.250 -9.009 29.734 1.00 0.00 H new ATOM 0 HE1 TRP A 19 76.882 -11.302 28.601 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.580 -8.545 25.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 77.918 -12.718 26.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.866 -10.380 24.247 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.541 -12.466 24.458 1.00 0.00 H new ATOM 312 N ARG A 20 77.663 -7.293 25.596 1.00 0.00 N ATOM 313 CA ARG A 20 77.747 -7.646 24.150 1.00 0.00 C ATOM 314 C ARG A 20 77.799 -6.374 23.302 1.00 0.00 C ATOM 315 O ARG A 20 78.524 -6.297 22.330 1.00 0.00 O ATOM 316 CB ARG A 20 76.514 -8.456 23.750 1.00 0.00 C ATOM 317 CG ARG A 20 76.572 -9.842 24.390 1.00 0.00 C ATOM 318 CD ARG A 20 75.333 -10.640 23.980 1.00 0.00 C ATOM 319 NE ARG A 20 75.293 -10.763 22.495 1.00 0.00 N ATOM 320 CZ ARG A 20 74.510 -11.641 21.935 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.777 -12.425 22.674 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.460 -11.738 20.635 1.00 0.00 N ATOM 0 H ARG A 20 76.829 -7.629 26.077 1.00 0.00 H new ATOM 0 HA ARG A 20 78.650 -8.233 23.982 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.609 -7.937 24.067 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.465 -8.549 22.665 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.476 -10.364 24.074 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.618 -9.752 25.475 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.356 -11.629 24.437 1.00 0.00 H new ATOM 0 HD3 ARG A 20 74.432 -10.144 24.339 1.00 0.00 H new ATOM 0 HE ARG A 20 75.879 -10.160 21.917 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.816 -12.351 23.691 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.164 -13.112 22.236 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.034 -11.126 20.055 1.00 0.00 H new ATOM 0 HH22 ARG A 20 73.847 -12.426 20.198 1.00 0.00 H new ATOM 336 N ALA A 21 77.040 -5.375 23.654 1.00 0.00 N ATOM 337 CA ALA A 21 77.061 -4.119 22.854 1.00 0.00 C ATOM 338 C ALA A 21 78.478 -3.550 22.867 1.00 0.00 C ATOM 339 O ALA A 21 78.974 -3.063 21.871 1.00 0.00 O ATOM 340 CB ALA A 21 76.094 -3.101 23.463 1.00 0.00 C ATOM 0 H ALA A 21 76.410 -5.373 24.456 1.00 0.00 H new ATOM 0 HA ALA A 21 76.755 -4.330 21.829 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.113 -2.184 22.874 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.085 -3.512 23.462 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.395 -2.881 24.487 1.00 0.00 H new ATOM 346 N MET A 22 79.133 -3.615 23.992 1.00 0.00 N ATOM 347 CA MET A 22 80.521 -3.087 24.083 1.00 0.00 C ATOM 348 C MET A 22 81.433 -3.880 23.143 1.00 0.00 C ATOM 349 O MET A 22 82.263 -3.326 22.452 1.00 0.00 O ATOM 350 CB MET A 22 81.017 -3.250 25.521 1.00 0.00 C ATOM 351 CG MET A 22 82.345 -2.515 25.706 1.00 0.00 C ATOM 352 SD MET A 22 83.140 -3.096 27.225 1.00 0.00 S ATOM 353 CE MET A 22 81.769 -2.755 28.354 1.00 0.00 C ATOM 0 H MET A 22 78.764 -4.013 24.856 1.00 0.00 H new ATOM 0 HA MET A 22 80.535 -2.035 23.798 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.275 -2.857 26.216 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.143 -4.308 25.753 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.995 -2.693 24.850 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.175 -1.440 25.759 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.152 -2.647 29.369 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.271 -1.833 28.054 1.00 0.00 H new ATOM 0 HE3 MET A 22 81.056 -3.579 28.320 1.00 0.00 H new ATOM 363 N ALA A 23 81.291 -5.174 23.117 1.00 0.00 N ATOM 364 CA ALA A 23 82.159 -5.999 22.229 1.00 0.00 C ATOM 365 C ALA A 23 81.902 -5.632 20.766 1.00 0.00 C ATOM 366 O ALA A 23 82.818 -5.482 19.982 1.00 0.00 O ATOM 367 CB ALA A 23 81.844 -7.481 22.443 1.00 0.00 C ATOM 0 H ALA A 23 80.613 -5.697 23.671 1.00 0.00 H new ATOM 0 HA ALA A 23 83.205 -5.807 22.470 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.478 -8.085 21.794 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.032 -7.746 23.483 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.797 -7.669 22.204 1.00 0.00 H new ATOM 373 N SER A 24 80.660 -5.492 20.390 1.00 0.00 N ATOM 374 CA SER A 24 80.344 -5.142 18.975 1.00 0.00 C ATOM 375 C SER A 24 80.804 -3.714 18.673 1.00 0.00 C ATOM 376 O SER A 24 81.308 -3.426 17.605 1.00 0.00 O ATOM 377 CB SER A 24 78.836 -5.246 18.747 1.00 0.00 C ATOM 378 OG SER A 24 78.435 -6.604 18.870 1.00 0.00 O ATOM 0 H SER A 24 79.851 -5.605 21.001 1.00 0.00 H new ATOM 0 HA SER A 24 80.865 -5.834 18.314 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.304 -4.631 19.472 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.579 -4.867 17.758 1.00 0.00 H new ATOM 0 HG SER A 24 77.468 -6.674 18.726 1.00 0.00 H new ATOM 384 N ASP A 25 80.617 -2.812 19.598 1.00 0.00 N ATOM 385 CA ASP A 25 81.027 -1.400 19.357 1.00 0.00 C ATOM 386 C ASP A 25 82.534 -1.321 19.092 1.00 0.00 C ATOM 387 O ASP A 25 82.979 -0.595 18.226 1.00 0.00 O ATOM 388 CB ASP A 25 80.686 -0.554 20.585 1.00 0.00 C ATOM 389 CG ASP A 25 81.107 0.896 20.337 1.00 0.00 C ATOM 390 OD1 ASP A 25 80.300 1.645 19.810 1.00 0.00 O ATOM 391 OD2 ASP A 25 82.229 1.231 20.676 1.00 0.00 O ATOM 0 H ASP A 25 80.198 -2.992 20.510 1.00 0.00 H new ATOM 0 HA ASP A 25 80.492 -1.022 18.485 1.00 0.00 H new ATOM 0 HB2 ASP A 25 79.616 -0.604 20.789 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.197 -0.947 21.464 1.00 0.00 H new ATOM 396 N PHE A 26 83.320 -2.055 19.838 1.00 0.00 N ATOM 397 CA PHE A 26 84.807 -2.020 19.644 1.00 0.00 C ATOM 398 C PHE A 26 85.265 -3.262 18.872 1.00 0.00 C ATOM 399 O PHE A 26 86.437 -3.432 18.598 1.00 0.00 O ATOM 400 CB PHE A 26 85.492 -1.980 21.012 1.00 0.00 C ATOM 401 CG PHE A 26 85.224 -0.644 21.668 1.00 0.00 C ATOM 402 CD1 PHE A 26 84.079 -0.463 22.453 1.00 0.00 C ATOM 403 CD2 PHE A 26 86.122 0.417 21.490 1.00 0.00 C ATOM 404 CE1 PHE A 26 83.832 0.773 23.061 1.00 0.00 C ATOM 405 CE2 PHE A 26 85.874 1.655 22.097 1.00 0.00 C ATOM 406 CZ PHE A 26 84.728 1.832 22.882 1.00 0.00 C ATOM 0 H PHE A 26 82.997 -2.680 20.577 1.00 0.00 H new ATOM 0 HA PHE A 26 85.076 -1.132 19.073 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.119 -2.788 21.641 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.565 -2.133 20.898 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.385 -1.279 22.590 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.006 0.280 20.885 1.00 0.00 H new ATOM 0 HE1 PHE A 26 82.949 0.909 23.668 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.566 2.472 21.960 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.536 2.787 23.349 1.00 0.00 H new ATOM 416 N ASN A 27 84.349 -4.122 18.515 1.00 0.00 N ATOM 417 CA ASN A 27 84.713 -5.352 17.747 1.00 0.00 C ATOM 418 C ASN A 27 85.776 -6.166 18.495 1.00 0.00 C ATOM 419 O ASN A 27 86.713 -6.665 17.903 1.00 0.00 O ATOM 420 CB ASN A 27 85.242 -4.962 16.365 1.00 0.00 C ATOM 421 CG ASN A 27 84.091 -4.418 15.517 1.00 0.00 C ATOM 422 OD1 ASN A 27 82.948 -4.776 15.722 1.00 0.00 O ATOM 423 ND2 ASN A 27 84.346 -3.559 14.571 1.00 0.00 N ATOM 0 H ASN A 27 83.355 -4.026 18.724 1.00 0.00 H new ATOM 0 HA ASN A 27 83.819 -5.966 17.637 1.00 0.00 H new ATOM 0 HB2 ASN A 27 86.025 -4.209 16.462 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.691 -5.827 15.877 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.586 -3.187 14.002 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.306 -3.259 14.400 1.00 0.00 H new ATOM 430 N LEU A 28 85.627 -6.317 19.788 1.00 0.00 N ATOM 431 CA LEU A 28 86.613 -7.114 20.591 1.00 0.00 C ATOM 432 C LEU A 28 85.905 -8.378 21.092 1.00 0.00 C ATOM 433 O LEU A 28 84.708 -8.370 21.294 1.00 0.00 O ATOM 434 CB LEU A 28 87.065 -6.280 21.794 1.00 0.00 C ATOM 435 CG LEU A 28 87.730 -4.986 21.311 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.834 -4.005 22.481 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.134 -5.279 20.756 1.00 0.00 C ATOM 0 H LEU A 28 84.859 -5.920 20.328 1.00 0.00 H new ATOM 0 HA LEU A 28 87.479 -7.378 19.984 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.209 -6.045 22.427 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.764 -6.853 22.403 1.00 0.00 H new ATOM 0 HG LEU A 28 87.125 -4.551 20.516 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.306 -3.083 22.142 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.836 -3.783 22.860 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.433 -4.449 23.276 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.593 -4.350 20.417 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.749 -5.723 21.539 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.057 -5.972 19.918 1.00 0.00 H new ATOM 449 N PRO A 29 86.616 -9.463 21.295 1.00 0.00 N ATOM 450 CA PRO A 29 85.990 -10.727 21.777 1.00 0.00 C ATOM 451 C PRO A 29 85.496 -10.588 23.229 1.00 0.00 C ATOM 452 O PRO A 29 86.064 -9.847 24.005 1.00 0.00 O ATOM 453 CB PRO A 29 87.124 -11.761 21.674 1.00 0.00 C ATOM 454 CG PRO A 29 88.379 -10.957 21.770 1.00 0.00 C ATOM 455 CD PRO A 29 88.070 -9.619 21.092 1.00 0.00 C ATOM 0 HA PRO A 29 85.111 -11.007 21.196 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.063 -12.497 22.476 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.076 -12.309 20.733 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.671 -10.810 22.810 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.207 -11.464 21.275 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.629 -8.800 21.544 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.329 -9.635 20.033 1.00 0.00 H new ATOM 463 N PRO A 30 84.447 -11.289 23.599 1.00 0.00 N ATOM 464 CA PRO A 30 83.895 -11.219 24.981 1.00 0.00 C ATOM 465 C PRO A 30 84.997 -11.178 26.050 1.00 0.00 C ATOM 466 O PRO A 30 84.762 -10.810 27.182 1.00 0.00 O ATOM 467 CB PRO A 30 83.075 -12.511 25.106 1.00 0.00 C ATOM 468 CG PRO A 30 82.646 -12.852 23.708 1.00 0.00 C ATOM 469 CD PRO A 30 83.675 -12.220 22.752 1.00 0.00 C ATOM 0 HA PRO A 30 83.312 -10.312 25.139 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.671 -13.314 25.540 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.213 -12.367 25.757 1.00 0.00 H new ATOM 0 HG2 PRO A 30 82.605 -13.932 23.570 1.00 0.00 H new ATOM 0 HG3 PRO A 30 81.646 -12.467 23.507 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.319 -12.978 22.306 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.185 -11.696 21.932 1.00 0.00 H new ATOM 477 N VAL A 31 86.187 -11.579 25.708 1.00 0.00 N ATOM 478 CA VAL A 31 87.284 -11.592 26.716 1.00 0.00 C ATOM 479 C VAL A 31 87.533 -10.186 27.266 1.00 0.00 C ATOM 480 O VAL A 31 87.593 -9.984 28.462 1.00 0.00 O ATOM 481 CB VAL A 31 88.560 -12.120 26.048 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.772 -11.921 26.967 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.393 -13.609 25.747 1.00 0.00 C ATOM 0 H VAL A 31 86.449 -11.898 24.775 1.00 0.00 H new ATOM 0 HA VAL A 31 86.999 -12.237 27.547 1.00 0.00 H new ATOM 0 HB VAL A 31 88.727 -11.568 25.123 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.667 -12.302 26.476 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.898 -10.859 27.179 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.613 -12.461 27.901 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.298 -13.988 25.272 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.217 -14.151 26.676 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.545 -13.752 25.077 1.00 0.00 H new ATOM 493 N VAL A 32 87.685 -9.212 26.418 1.00 0.00 N ATOM 494 CA VAL A 32 87.935 -7.838 26.929 1.00 0.00 C ATOM 495 C VAL A 32 86.675 -7.321 27.621 1.00 0.00 C ATOM 496 O VAL A 32 86.733 -6.729 28.681 1.00 0.00 O ATOM 497 CB VAL A 32 88.315 -6.915 25.767 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.331 -5.460 26.245 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.705 -7.299 25.252 1.00 0.00 C ATOM 0 H VAL A 32 87.648 -9.305 25.403 1.00 0.00 H new ATOM 0 HA VAL A 32 88.757 -7.857 27.645 1.00 0.00 H new ATOM 0 HB VAL A 32 87.584 -7.021 24.966 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.602 -4.807 25.415 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.342 -5.187 26.613 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.061 -5.349 27.047 1.00 0.00 H new ATOM 0 HG21 VAL A 32 89.980 -6.645 24.425 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.433 -7.193 26.056 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.693 -8.333 24.908 1.00 0.00 H new ATOM 509 N ALA A 33 85.534 -7.538 27.029 1.00 0.00 N ATOM 510 CA ALA A 33 84.273 -7.058 27.654 1.00 0.00 C ATOM 511 C ALA A 33 84.030 -7.802 28.970 1.00 0.00 C ATOM 512 O ALA A 33 83.618 -7.217 29.951 1.00 0.00 O ATOM 513 CB ALA A 33 83.101 -7.294 26.698 1.00 0.00 C ATOM 0 H ALA A 33 85.421 -8.026 26.141 1.00 0.00 H new ATOM 0 HA ALA A 33 84.358 -5.991 27.859 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.179 -6.941 27.159 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.274 -6.750 25.769 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.015 -8.359 26.484 1.00 0.00 H new ATOM 519 N LYS A 34 84.285 -9.087 29.008 1.00 0.00 N ATOM 520 CA LYS A 34 84.066 -9.843 30.275 1.00 0.00 C ATOM 521 C LYS A 34 85.003 -9.319 31.366 1.00 0.00 C ATOM 522 O LYS A 34 84.621 -9.194 32.512 1.00 0.00 O ATOM 523 CB LYS A 34 84.322 -11.338 30.044 1.00 0.00 C ATOM 524 CG LYS A 34 83.182 -11.959 29.213 1.00 0.00 C ATOM 525 CD LYS A 34 81.977 -12.285 30.108 1.00 0.00 C ATOM 526 CE LYS A 34 80.964 -13.117 29.317 1.00 0.00 C ATOM 527 NZ LYS A 34 81.567 -14.433 28.966 1.00 0.00 N ATOM 0 H LYS A 34 84.632 -9.639 28.223 1.00 0.00 H new ATOM 0 HA LYS A 34 83.034 -9.703 30.595 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.272 -11.475 29.528 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.403 -11.851 31.002 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.881 -11.268 28.425 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.534 -12.867 28.723 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.304 -12.834 30.991 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.512 -11.364 30.460 1.00 0.00 H new ATOM 0 HE2 LYS A 34 80.060 -13.265 29.907 1.00 0.00 H new ATOM 0 HE3 LYS A 34 80.670 -12.587 28.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.814 -15.142 28.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 82.092 -14.347 28.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.217 -14.730 29.722 1.00 0.00 H new ATOM 541 N GLU A 35 86.230 -9.015 31.031 1.00 0.00 N ATOM 542 CA GLU A 35 87.169 -8.510 32.074 1.00 0.00 C ATOM 543 C GLU A 35 86.624 -7.210 32.668 1.00 0.00 C ATOM 544 O GLU A 35 86.706 -6.981 33.859 1.00 0.00 O ATOM 545 CB GLU A 35 88.547 -8.256 31.452 1.00 0.00 C ATOM 546 CG GLU A 35 89.602 -8.126 32.559 1.00 0.00 C ATOM 547 CD GLU A 35 89.362 -6.842 33.356 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.556 -5.775 32.797 1.00 0.00 O ATOM 549 OE2 GLU A 35 88.986 -6.947 34.512 1.00 0.00 O ATOM 0 H GLU A 35 86.619 -9.094 30.091 1.00 0.00 H new ATOM 0 HA GLU A 35 87.265 -9.256 32.863 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.810 -9.074 30.781 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.523 -7.347 30.852 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.555 -8.990 33.222 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.601 -8.113 32.122 1.00 0.00 H new ATOM 556 N ILE A 36 86.069 -6.353 31.856 1.00 0.00 N ATOM 557 CA ILE A 36 85.527 -5.075 32.391 1.00 0.00 C ATOM 558 C ILE A 36 84.409 -5.395 33.383 1.00 0.00 C ATOM 559 O ILE A 36 84.296 -4.784 34.426 1.00 0.00 O ATOM 560 CB ILE A 36 84.993 -4.216 31.241 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.177 -3.727 30.398 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.234 -3.007 31.803 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.666 -3.158 29.074 1.00 0.00 C ATOM 0 H ILE A 36 85.968 -6.483 30.849 1.00 0.00 H new ATOM 0 HA ILE A 36 86.314 -4.517 32.898 1.00 0.00 H new ATOM 0 HB ILE A 36 84.315 -4.808 30.626 1.00 0.00 H new ATOM 0 HG12 ILE A 36 86.733 -2.964 30.943 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.866 -4.550 30.209 1.00 0.00 H new ATOM 0 HG21 ILE A 36 83.857 -2.400 30.980 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.399 -3.353 32.412 1.00 0.00 H new ATOM 0 HG23 ILE A 36 84.907 -2.408 32.417 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.510 -2.811 28.477 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.129 -3.934 28.528 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.994 -2.323 29.272 1.00 0.00 H new ATOM 575 N VAL A 37 83.595 -6.368 33.075 1.00 0.00 N ATOM 576 CA VAL A 37 82.501 -6.747 34.010 1.00 0.00 C ATOM 577 C VAL A 37 83.129 -7.218 35.324 1.00 0.00 C ATOM 578 O VAL A 37 82.650 -6.922 36.401 1.00 0.00 O ATOM 579 CB VAL A 37 81.671 -7.882 33.397 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.707 -8.446 34.443 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.873 -7.343 32.207 1.00 0.00 C ATOM 0 H VAL A 37 83.641 -6.916 32.216 1.00 0.00 H new ATOM 0 HA VAL A 37 81.850 -5.892 34.193 1.00 0.00 H new ATOM 0 HB VAL A 37 82.340 -8.675 33.062 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.121 -9.252 34.001 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.274 -8.833 35.290 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.038 -7.656 34.785 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.283 -8.148 31.770 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.208 -6.548 32.545 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.559 -6.948 31.458 1.00 0.00 H new ATOM 591 N ALA A 38 84.202 -7.951 35.231 1.00 0.00 N ATOM 592 CA ALA A 38 84.882 -8.457 36.456 1.00 0.00 C ATOM 593 C ALA A 38 85.468 -7.284 37.248 1.00 0.00 C ATOM 594 O ALA A 38 85.514 -7.306 38.462 1.00 0.00 O ATOM 595 CB ALA A 38 86.009 -9.414 36.054 1.00 0.00 C ATOM 0 H ALA A 38 84.641 -8.224 34.352 1.00 0.00 H new ATOM 0 HA ALA A 38 84.158 -8.983 37.078 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.508 -9.785 36.949 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.592 -10.253 35.496 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.730 -8.886 35.430 1.00 0.00 H new ATOM 601 N SER A 39 85.932 -6.268 36.575 1.00 0.00 N ATOM 602 CA SER A 39 86.530 -5.110 37.298 1.00 0.00 C ATOM 603 C SER A 39 85.432 -4.276 37.964 1.00 0.00 C ATOM 604 O SER A 39 85.605 -3.769 39.054 1.00 0.00 O ATOM 605 CB SER A 39 87.310 -4.236 36.314 1.00 0.00 C ATOM 606 OG SER A 39 88.384 -4.989 35.767 1.00 0.00 O ATOM 0 H SER A 39 85.923 -6.189 35.558 1.00 0.00 H new ATOM 0 HA SER A 39 87.205 -5.486 38.067 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.652 -3.888 35.518 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.693 -3.350 36.821 1.00 0.00 H new ATOM 0 HG SER A 39 88.040 -5.600 35.082 1.00 0.00 H new ATOM 612 N CYS A 40 84.304 -4.122 37.326 1.00 0.00 N ATOM 613 CA CYS A 40 83.214 -3.314 37.947 1.00 0.00 C ATOM 614 C CYS A 40 82.560 -4.122 39.070 1.00 0.00 C ATOM 615 O CYS A 40 81.950 -5.146 38.838 1.00 0.00 O ATOM 616 CB CYS A 40 82.162 -2.960 36.895 1.00 0.00 C ATOM 617 SG CYS A 40 81.097 -1.642 37.531 1.00 0.00 S ATOM 0 H CYS A 40 84.090 -4.516 36.410 1.00 0.00 H new ATOM 0 HA CYS A 40 83.636 -2.395 38.353 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.647 -2.638 35.973 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.565 -3.839 36.651 1.00 0.00 H new ATOM 0 HG CYS A 40 80.464 -1.082 36.544 1.00 0.00 H new ATOM 622 N ASP A 41 82.689 -3.672 40.287 1.00 0.00 N ATOM 623 CA ASP A 41 82.082 -4.416 41.424 1.00 0.00 C ATOM 624 C ASP A 41 80.565 -4.516 41.242 1.00 0.00 C ATOM 625 O ASP A 41 79.963 -5.532 41.526 1.00 0.00 O ATOM 626 CB ASP A 41 82.392 -3.685 42.733 1.00 0.00 C ATOM 627 CG ASP A 41 83.881 -3.825 43.054 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.331 -4.949 43.204 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.547 -2.807 43.144 1.00 0.00 O ATOM 0 H ASP A 41 83.189 -2.821 40.543 1.00 0.00 H new ATOM 0 HA ASP A 41 82.501 -5.422 41.455 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.125 -2.632 42.646 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.793 -4.100 43.544 1.00 0.00 H new ATOM 634 N LYS A 42 79.938 -3.470 40.781 1.00 0.00 N ATOM 635 CA LYS A 42 78.459 -3.513 40.600 1.00 0.00 C ATOM 636 C LYS A 42 78.084 -4.605 39.590 1.00 0.00 C ATOM 637 O LYS A 42 77.156 -5.359 39.803 1.00 0.00 O ATOM 638 CB LYS A 42 77.965 -2.154 40.082 1.00 0.00 C ATOM 639 CG LYS A 42 78.133 -1.068 41.161 1.00 0.00 C ATOM 640 CD LYS A 42 77.064 -1.214 42.256 1.00 0.00 C ATOM 641 CE LYS A 42 77.015 0.068 43.090 1.00 0.00 C ATOM 642 NZ LYS A 42 76.473 1.180 42.260 1.00 0.00 N ATOM 0 H LYS A 42 80.383 -2.590 40.522 1.00 0.00 H new ATOM 0 HA LYS A 42 77.991 -3.734 41.559 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.523 -1.875 39.188 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.917 -2.228 39.793 1.00 0.00 H new ATOM 0 HG2 LYS A 42 79.126 -1.141 41.604 1.00 0.00 H new ATOM 0 HG3 LYS A 42 78.059 -0.081 40.704 1.00 0.00 H new ATOM 0 HD2 LYS A 42 76.090 -1.406 41.806 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.294 -2.068 42.894 1.00 0.00 H new ATOM 0 HE2 LYS A 42 76.389 -0.082 43.970 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.013 0.320 43.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 76.002 1.874 42.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 77.251 1.642 41.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 75.787 0.801 41.577 1.00 0.00 H new ATOM 656 N CYS A 43 78.788 -4.696 38.491 1.00 0.00 N ATOM 657 CA CYS A 43 78.447 -5.741 37.478 1.00 0.00 C ATOM 658 C CYS A 43 79.017 -7.102 37.898 1.00 0.00 C ATOM 659 O CYS A 43 78.477 -8.141 37.573 1.00 0.00 O ATOM 660 CB CYS A 43 79.055 -5.379 36.116 1.00 0.00 C ATOM 661 SG CYS A 43 78.760 -3.640 35.739 1.00 0.00 S ATOM 0 H CYS A 43 79.578 -4.097 38.252 1.00 0.00 H new ATOM 0 HA CYS A 43 77.360 -5.793 37.408 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.126 -5.579 36.124 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.619 -6.006 35.338 1.00 0.00 H new ATOM 0 HG CYS A 43 79.582 -2.902 36.424 1.00 0.00 H new ATOM 666 N GLN A 44 80.140 -7.097 38.561 1.00 0.00 N ATOM 667 CA GLN A 44 80.797 -8.381 38.944 1.00 0.00 C ATOM 668 C GLN A 44 79.992 -9.147 39.999 1.00 0.00 C ATOM 669 O GLN A 44 79.677 -10.306 39.817 1.00 0.00 O ATOM 670 CB GLN A 44 82.190 -8.061 39.490 1.00 0.00 C ATOM 671 CG GLN A 44 82.943 -9.353 39.809 1.00 0.00 C ATOM 672 CD GLN A 44 84.351 -9.000 40.292 1.00 0.00 C ATOM 673 OE1 GLN A 44 85.385 -9.548 39.714 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.512 -8.210 41.202 1.00 0.00 N ATOM 0 H GLN A 44 80.634 -6.255 38.856 1.00 0.00 H new ATOM 0 HA GLN A 44 80.859 -9.018 38.062 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.749 -7.477 38.759 1.00 0.00 H new ATOM 0 HB3 GLN A 44 82.105 -7.450 40.389 1.00 0.00 H new ATOM 0 HG2 GLN A 44 82.413 -9.919 40.575 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.996 -9.987 38.924 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.704 -7.781 41.654 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.455 -7.976 41.513 1.00 0.00 H new ATOM 844 N PHE B 1 93.556 -14.241 21.674 1.00 0.00 N ATOM 845 CA PHE B 1 92.681 -14.054 22.865 1.00 0.00 C ATOM 846 C PHE B 1 92.164 -15.413 23.344 1.00 0.00 C ATOM 847 O PHE B 1 92.634 -15.963 24.320 1.00 0.00 O ATOM 848 CB PHE B 1 91.483 -13.176 22.492 1.00 0.00 C ATOM 849 CG PHE B 1 91.941 -11.768 22.192 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.512 -11.469 20.950 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.785 -10.760 23.153 1.00 0.00 C ATOM 852 CE1 PHE B 1 92.927 -10.162 20.667 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.202 -9.455 22.871 1.00 0.00 C ATOM 854 CZ PHE B 1 92.772 -9.155 21.629 1.00 0.00 C ATOM 0 H1 PHE B 1 93.603 -13.353 21.135 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.512 -14.508 21.984 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.165 -14.992 21.071 1.00 0.00 H new ATOM 0 HA PHE B 1 93.259 -13.577 23.657 1.00 0.00 H new ATOM 0 HB2 PHE B 1 90.974 -13.593 21.623 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.762 -13.165 23.310 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.633 -12.246 20.210 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.343 -10.991 24.111 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.366 -9.930 19.708 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.084 -8.679 23.612 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.093 -8.147 21.412 1.00 0.00 H new ATOM 866 N LEU B 2 91.181 -15.947 22.670 1.00 0.00 N ATOM 867 CA LEU B 2 90.606 -17.258 23.084 1.00 0.00 C ATOM 868 C LEU B 2 91.688 -18.345 23.046 1.00 0.00 C ATOM 869 O LEU B 2 91.744 -19.205 23.902 1.00 0.00 O ATOM 870 CB LEU B 2 89.478 -17.639 22.115 1.00 0.00 C ATOM 871 CG LEU B 2 88.375 -16.569 22.134 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.306 -16.934 21.098 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.730 -16.487 23.526 1.00 0.00 C ATOM 0 H LEU B 2 90.750 -15.528 21.846 1.00 0.00 H new ATOM 0 HA LEU B 2 90.219 -17.174 24.099 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.876 -17.743 21.106 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.061 -18.606 22.394 1.00 0.00 H new ATOM 0 HG LEU B 2 88.814 -15.601 21.895 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.520 -16.179 21.105 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.759 -16.977 20.107 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.878 -17.906 21.343 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.951 -15.724 23.522 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.292 -17.452 23.781 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.489 -16.226 24.264 1.00 0.00 H new ATOM 885 N ASP B 3 92.536 -18.325 22.053 1.00 0.00 N ATOM 886 CA ASP B 3 93.600 -19.371 21.957 1.00 0.00 C ATOM 887 C ASP B 3 94.501 -19.330 23.192 1.00 0.00 C ATOM 888 O ASP B 3 94.754 -20.339 23.821 1.00 0.00 O ATOM 889 CB ASP B 3 94.446 -19.112 20.713 1.00 0.00 C ATOM 890 CG ASP B 3 95.540 -20.178 20.604 1.00 0.00 C ATOM 891 OD1 ASP B 3 95.660 -20.974 21.521 1.00 0.00 O ATOM 892 OD2 ASP B 3 96.240 -20.179 19.603 1.00 0.00 O ATOM 0 H ASP B 3 92.540 -17.632 21.305 1.00 0.00 H new ATOM 0 HA ASP B 3 93.128 -20.351 21.895 1.00 0.00 H new ATOM 0 HB2 ASP B 3 93.817 -19.130 19.823 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.895 -18.120 20.766 1.00 0.00 H new ATOM 897 N GLY B 4 94.985 -18.174 23.543 1.00 0.00 N ATOM 898 CA GLY B 4 95.871 -18.068 24.737 1.00 0.00 C ATOM 899 C GLY B 4 95.110 -18.539 25.974 1.00 0.00 C ATOM 900 O GLY B 4 95.648 -19.205 26.836 1.00 0.00 O ATOM 0 H GLY B 4 94.806 -17.296 23.056 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.766 -18.673 24.595 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.201 -17.037 24.869 1.00 0.00 H new ATOM 904 N ILE B 5 93.860 -18.188 26.068 1.00 0.00 N ATOM 905 CA ILE B 5 93.053 -18.600 27.247 1.00 0.00 C ATOM 906 C ILE B 5 92.900 -20.122 27.278 1.00 0.00 C ATOM 907 O ILE B 5 92.959 -20.737 28.326 1.00 0.00 O ATOM 908 CB ILE B 5 91.674 -17.936 27.154 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.829 -16.433 27.408 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.721 -18.549 28.187 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.519 -15.718 27.080 1.00 0.00 C ATOM 0 H ILE B 5 93.360 -17.631 25.375 1.00 0.00 H new ATOM 0 HA ILE B 5 93.555 -18.287 28.163 1.00 0.00 H new ATOM 0 HB ILE B 5 91.256 -18.099 26.161 1.00 0.00 H new ATOM 0 HG12 ILE B 5 92.100 -16.256 28.449 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.637 -16.032 26.796 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.745 -18.069 28.111 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.616 -19.617 27.997 1.00 0.00 H new ATOM 0 HG23 ILE B 5 91.123 -18.397 29.189 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.632 -14.649 27.262 1.00 0.00 H new ATOM 0 HD12 ILE B 5 90.267 -15.883 26.033 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.722 -16.111 27.711 1.00 0.00 H new ATOM 923 N ASP B 6 92.698 -20.738 26.150 1.00 0.00 N ATOM 924 CA ASP B 6 92.534 -22.218 26.142 1.00 0.00 C ATOM 925 C ASP B 6 93.793 -22.874 26.706 1.00 0.00 C ATOM 926 O ASP B 6 93.725 -23.741 27.555 1.00 0.00 O ATOM 927 CB ASP B 6 92.303 -22.702 24.711 1.00 0.00 C ATOM 928 CG ASP B 6 92.136 -24.222 24.711 1.00 0.00 C ATOM 929 OD1 ASP B 6 91.050 -24.678 25.027 1.00 0.00 O ATOM 930 OD2 ASP B 6 93.096 -24.905 24.394 1.00 0.00 O ATOM 0 H ASP B 6 92.639 -20.286 25.238 1.00 0.00 H new ATOM 0 HA ASP B 6 91.676 -22.489 26.757 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.415 -22.227 24.293 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.144 -22.417 24.079 1.00 0.00 H new ATOM 935 N LYS B 7 94.943 -22.468 26.248 1.00 0.00 N ATOM 936 CA LYS B 7 96.198 -23.074 26.771 1.00 0.00 C ATOM 937 C LYS B 7 96.382 -22.655 28.230 1.00 0.00 C ATOM 938 O LYS B 7 96.780 -23.439 29.069 1.00 0.00 O ATOM 939 CB LYS B 7 97.380 -22.571 25.938 1.00 0.00 C ATOM 940 CG LYS B 7 97.308 -23.183 24.537 1.00 0.00 C ATOM 941 CD LYS B 7 98.486 -22.687 23.696 1.00 0.00 C ATOM 942 CE LYS B 7 98.407 -23.303 22.296 1.00 0.00 C ATOM 943 NZ LYS B 7 99.321 -22.569 21.377 1.00 0.00 N ATOM 0 H LYS B 7 95.068 -21.747 25.538 1.00 0.00 H new ATOM 0 HA LYS B 7 96.145 -24.161 26.708 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.358 -21.483 25.874 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.320 -22.843 26.418 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.329 -24.271 24.603 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.367 -22.911 24.059 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.466 -21.599 23.628 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.428 -22.960 24.173 1.00 0.00 H new ATOM 0 HE2 LYS B 7 98.683 -24.357 22.335 1.00 0.00 H new ATOM 0 HE3 LYS B 7 97.384 -23.255 21.923 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.267 -22.988 20.426 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.038 -21.569 21.332 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 100.297 -22.637 21.730 1.00 0.00 H new ATOM 957 N ALA B 8 96.079 -21.424 28.536 1.00 0.00 N ATOM 958 CA ALA B 8 96.216 -20.938 29.939 1.00 0.00 C ATOM 959 C ALA B 8 95.144 -21.585 30.821 1.00 0.00 C ATOM 960 O ALA B 8 95.352 -21.824 31.994 1.00 0.00 O ATOM 961 CB ALA B 8 96.057 -19.416 29.971 1.00 0.00 C ATOM 0 H ALA B 8 95.740 -20.729 27.871 1.00 0.00 H new ATOM 0 HA ALA B 8 97.202 -21.209 30.318 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.157 -19.061 30.997 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.827 -18.957 29.351 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.073 -19.145 29.588 1.00 0.00 H new ATOM 967 N GLN B 9 93.990 -21.851 30.269 1.00 0.00 N ATOM 968 CA GLN B 9 92.896 -22.458 31.082 1.00 0.00 C ATOM 969 C GLN B 9 93.352 -23.819 31.610 1.00 0.00 C ATOM 970 O GLN B 9 93.800 -24.669 30.867 1.00 0.00 O ATOM 971 CB GLN B 9 91.654 -22.634 30.201 1.00 0.00 C ATOM 972 CG GLN B 9 90.492 -23.178 31.035 1.00 0.00 C ATOM 973 CD GLN B 9 89.248 -23.291 30.153 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.242 -22.827 29.031 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.179 -23.875 30.620 1.00 0.00 N ATOM 0 H GLN B 9 93.758 -21.674 29.292 1.00 0.00 H new ATOM 0 HA GLN B 9 92.656 -21.808 31.924 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.376 -21.679 29.755 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.874 -23.317 29.380 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.750 -24.154 31.447 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.295 -22.518 31.879 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.182 -24.266 31.562 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.341 -23.941 30.043 1.00 0.00 H new ATOM 984 N GLU B 10 93.247 -24.025 32.896 1.00 0.00 N ATOM 985 CA GLU B 10 93.677 -25.321 33.497 1.00 0.00 C ATOM 986 C GLU B 10 92.816 -25.614 34.728 1.00 0.00 C ATOM 987 O GLU B 10 91.774 -25.021 34.925 1.00 0.00 O ATOM 988 CB GLU B 10 95.150 -25.240 33.916 1.00 0.00 C ATOM 989 CG GLU B 10 96.047 -25.252 32.676 1.00 0.00 C ATOM 990 CD GLU B 10 97.515 -25.223 33.109 1.00 0.00 C ATOM 991 OE1 GLU B 10 97.838 -24.436 33.984 1.00 0.00 O ATOM 992 OE2 GLU B 10 98.289 -25.988 32.559 1.00 0.00 O ATOM 0 H GLU B 10 92.879 -23.345 33.561 1.00 0.00 H new ATOM 0 HA GLU B 10 93.557 -26.117 32.762 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.324 -24.331 34.492 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.399 -26.080 34.564 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.850 -26.143 32.080 1.00 0.00 H new ATOM 0 HG3 GLU B 10 95.826 -24.391 32.045 1.00 0.00 H new ATOM 999 N GLU B 11 93.243 -26.528 35.553 1.00 0.00 N ATOM 1000 CA GLU B 11 92.453 -26.866 36.770 1.00 0.00 C ATOM 1001 C GLU B 11 92.713 -25.820 37.860 1.00 0.00 C ATOM 1002 O GLU B 11 93.728 -25.153 37.865 1.00 0.00 O ATOM 1003 CB GLU B 11 92.870 -28.251 37.269 1.00 0.00 C ATOM 1004 CG GLU B 11 92.376 -29.311 36.284 1.00 0.00 C ATOM 1005 CD GLU B 11 92.867 -30.690 36.727 1.00 0.00 C ATOM 1006 OE1 GLU B 11 93.950 -30.760 37.280 1.00 0.00 O ATOM 1007 OE2 GLU B 11 92.150 -31.652 36.503 1.00 0.00 O ATOM 0 H GLU B 11 94.107 -27.057 35.437 1.00 0.00 H new ATOM 0 HA GLU B 11 91.390 -26.870 36.529 1.00 0.00 H new ATOM 0 HB2 GLU B 11 93.954 -28.304 37.365 1.00 0.00 H new ATOM 0 HB3 GLU B 11 92.452 -28.435 38.259 1.00 0.00 H new ATOM 0 HG2 GLU B 11 91.287 -29.299 36.237 1.00 0.00 H new ATOM 0 HG3 GLU B 11 92.741 -29.089 35.281 1.00 0.00 H new ATOM 1014 N HIS B 12 91.799 -25.665 38.782 1.00 0.00 N ATOM 1015 CA HIS B 12 91.990 -24.656 39.866 1.00 0.00 C ATOM 1016 C HIS B 12 93.107 -25.116 40.800 1.00 0.00 C ATOM 1017 O HIS B 12 92.869 -25.516 41.924 1.00 0.00 O ATOM 1018 CB HIS B 12 90.687 -24.520 40.656 1.00 0.00 C ATOM 1019 CG HIS B 12 90.849 -23.510 41.760 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.619 -22.152 41.568 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.177 -23.650 43.088 1.00 0.00 C ATOM 1022 CE1 HIS B 12 90.804 -21.536 42.758 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.145 -22.406 43.709 1.00 0.00 N ATOM 0 H HIS B 12 90.928 -26.194 38.831 1.00 0.00 H new ATOM 0 HA HIS B 12 92.259 -23.694 39.430 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.880 -24.215 39.990 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.406 -25.486 41.076 1.00 0.00 H new ATOM 0 HD1 HIS B 12 90.358 -21.703 40.690 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.422 -24.583 43.574 1.00 0.00 H new ATOM 0 HE1 HIS B 12 90.690 -20.474 42.918 1.00 0.00 H new ATOM 1031 N GLU B 13 94.331 -25.060 40.339 1.00 0.00 N ATOM 1032 CA GLU B 13 95.486 -25.490 41.183 1.00 0.00 C ATOM 1033 C GLU B 13 96.181 -24.256 41.767 1.00 0.00 C ATOM 1034 O GLU B 13 95.566 -23.233 41.990 1.00 0.00 O ATOM 1035 CB GLU B 13 96.473 -26.278 40.320 1.00 0.00 C ATOM 1036 CG GLU B 13 95.757 -27.490 39.724 1.00 0.00 C ATOM 1037 CD GLU B 13 96.742 -28.314 38.893 1.00 0.00 C ATOM 1038 OE1 GLU B 13 97.566 -27.718 38.219 1.00 0.00 O ATOM 1039 OE2 GLU B 13 96.656 -29.530 38.948 1.00 0.00 O ATOM 0 H GLU B 13 94.581 -24.732 39.406 1.00 0.00 H new ATOM 0 HA GLU B 13 95.131 -26.120 41.998 1.00 0.00 H new ATOM 0 HB2 GLU B 13 96.866 -25.645 39.525 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.323 -26.601 40.920 1.00 0.00 H new ATOM 0 HG2 GLU B 13 95.336 -28.104 40.520 1.00 0.00 H new ATOM 0 HG3 GLU B 13 94.925 -27.163 39.100 1.00 0.00 H new ATOM 1046 N LYS B 14 97.458 -24.348 42.020 1.00 0.00 N ATOM 1047 CA LYS B 14 98.194 -23.186 42.596 1.00 0.00 C ATOM 1048 C LYS B 14 98.316 -22.073 41.548 1.00 0.00 C ATOM 1049 O LYS B 14 98.365 -20.905 41.876 1.00 0.00 O ATOM 1050 CB LYS B 14 99.593 -23.632 43.026 1.00 0.00 C ATOM 1051 CG LYS B 14 99.471 -24.658 44.154 1.00 0.00 C ATOM 1052 CD LYS B 14 100.864 -25.112 44.592 1.00 0.00 C ATOM 1053 CE LYS B 14 100.731 -26.138 45.720 1.00 0.00 C ATOM 1054 NZ LYS B 14 102.086 -26.558 46.175 1.00 0.00 N ATOM 0 H LYS B 14 98.025 -25.179 41.852 1.00 0.00 H new ATOM 0 HA LYS B 14 97.646 -22.808 43.459 1.00 0.00 H new ATOM 0 HB2 LYS B 14 100.125 -24.066 42.180 1.00 0.00 H new ATOM 0 HB3 LYS B 14 100.174 -22.773 43.361 1.00 0.00 H new ATOM 0 HG2 LYS B 14 98.938 -24.222 44.999 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.888 -25.515 43.817 1.00 0.00 H new ATOM 0 HD2 LYS B 14 101.398 -25.549 43.749 1.00 0.00 H new ATOM 0 HD3 LYS B 14 101.448 -24.256 44.930 1.00 0.00 H new ATOM 0 HE2 LYS B 14 100.174 -25.708 46.552 1.00 0.00 H new ATOM 0 HE3 LYS B 14 100.168 -27.004 45.373 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 101.994 -27.255 46.941 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 102.603 -26.984 45.379 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 102.608 -25.728 46.522 1.00 0.00 H new ATOM 1068 N TYR B 15 98.382 -22.426 40.294 1.00 0.00 N ATOM 1069 CA TYR B 15 98.519 -21.383 39.235 1.00 0.00 C ATOM 1070 C TYR B 15 97.320 -20.432 39.286 1.00 0.00 C ATOM 1071 O TYR B 15 97.463 -19.236 39.130 1.00 0.00 O ATOM 1072 CB TYR B 15 98.576 -22.064 37.861 1.00 0.00 C ATOM 1073 CG TYR B 15 99.963 -22.612 37.623 1.00 0.00 C ATOM 1074 CD1 TYR B 15 100.962 -21.785 37.092 1.00 0.00 C ATOM 1075 CD2 TYR B 15 100.251 -23.946 37.936 1.00 0.00 C ATOM 1076 CE1 TYR B 15 102.248 -22.293 36.875 1.00 0.00 C ATOM 1077 CE2 TYR B 15 101.536 -24.454 37.718 1.00 0.00 C ATOM 1078 CZ TYR B 15 102.535 -23.629 37.188 1.00 0.00 C ATOM 1079 OH TYR B 15 103.802 -24.134 36.973 1.00 0.00 O ATOM 0 H TYR B 15 98.347 -23.388 39.956 1.00 0.00 H new ATOM 0 HA TYR B 15 99.433 -20.814 39.402 1.00 0.00 H new ATOM 0 HB2 TYR B 15 97.843 -22.869 37.813 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.317 -21.350 37.079 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.740 -20.756 36.850 1.00 0.00 H new ATOM 0 HD2 TYR B 15 99.481 -24.583 38.346 1.00 0.00 H new ATOM 0 HE1 TYR B 15 103.019 -21.656 36.467 1.00 0.00 H new ATOM 0 HE2 TYR B 15 101.757 -25.483 37.959 1.00 0.00 H new ATOM 0 HH TYR B 15 103.830 -25.075 37.245 1.00 0.00 H new ATOM 1089 N HIS B 16 96.141 -20.943 39.507 1.00 0.00 N ATOM 1090 CA HIS B 16 94.954 -20.044 39.565 1.00 0.00 C ATOM 1091 C HIS B 16 95.133 -19.030 40.700 1.00 0.00 C ATOM 1092 O HIS B 16 94.802 -17.869 40.558 1.00 0.00 O ATOM 1093 CB HIS B 16 93.682 -20.878 39.801 1.00 0.00 C ATOM 1094 CG HIS B 16 93.173 -21.421 38.490 1.00 0.00 C ATOM 1095 ND1 HIS B 16 91.823 -21.655 38.255 1.00 0.00 N ATOM 1096 CD2 HIS B 16 93.819 -21.753 37.324 1.00 0.00 C ATOM 1097 CE1 HIS B 16 91.704 -22.105 36.991 1.00 0.00 C ATOM 1098 NE2 HIS B 16 92.890 -22.182 36.384 1.00 0.00 N ATOM 0 H HIS B 16 95.948 -21.935 39.649 1.00 0.00 H new ATOM 0 HA HIS B 16 94.858 -19.510 38.620 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.897 -21.699 40.486 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.915 -20.263 40.272 1.00 0.00 H new ATOM 0 HD2 HIS B 16 94.885 -21.690 37.163 1.00 0.00 H new ATOM 0 HE1 HIS B 16 90.766 -22.370 36.527 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.076 -22.491 35.430 1.00 0.00 H new ATOM 1106 N SER B 17 95.657 -19.447 41.821 1.00 0.00 N ATOM 1107 CA SER B 17 95.851 -18.483 42.940 1.00 0.00 C ATOM 1108 C SER B 17 96.800 -17.372 42.488 1.00 0.00 C ATOM 1109 O SER B 17 96.547 -16.203 42.702 1.00 0.00 O ATOM 1110 CB SER B 17 96.445 -19.210 44.147 1.00 0.00 C ATOM 1111 OG SER B 17 97.784 -19.591 43.856 1.00 0.00 O ATOM 0 H SER B 17 95.956 -20.404 42.009 1.00 0.00 H new ATOM 0 HA SER B 17 94.891 -18.050 43.221 1.00 0.00 H new ATOM 0 HB2 SER B 17 96.422 -18.562 45.023 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.848 -20.090 44.385 1.00 0.00 H new ATOM 0 HG SER B 17 97.783 -20.433 43.355 1.00 0.00 H new ATOM 1117 N ASN B 18 97.887 -17.725 41.847 1.00 0.00 N ATOM 1118 CA ASN B 18 98.847 -16.685 41.363 1.00 0.00 C ATOM 1119 C ASN B 18 98.555 -16.372 39.893 1.00 0.00 C ATOM 1120 O ASN B 18 99.097 -16.989 38.997 1.00 0.00 O ATOM 1121 CB ASN B 18 100.280 -17.207 41.502 1.00 0.00 C ATOM 1122 CG ASN B 18 100.657 -17.273 42.984 1.00 0.00 C ATOM 1123 OD1 ASN B 18 100.065 -16.598 43.804 1.00 0.00 O ATOM 1124 ND2 ASN B 18 101.625 -18.062 43.367 1.00 0.00 N ATOM 0 H ASN B 18 98.151 -18.688 41.638 1.00 0.00 H new ATOM 0 HA ASN B 18 98.735 -15.779 41.958 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.364 -18.195 41.050 1.00 0.00 H new ATOM 0 HB3 ASN B 18 100.970 -16.553 40.969 1.00 0.00 H new ATOM 0 HD21 ASN B 18 101.883 -18.111 44.353 1.00 0.00 H new ATOM 0 HD22 ASN B 18 102.123 -18.629 42.681 1.00 0.00 H new ATOM 1131 N TRP B 19 97.709 -15.413 39.637 1.00 0.00 N ATOM 1132 CA TRP B 19 97.391 -15.057 38.225 1.00 0.00 C ATOM 1133 C TRP B 19 98.609 -14.392 37.586 1.00 0.00 C ATOM 1134 O TRP B 19 98.800 -14.441 36.387 1.00 0.00 O ATOM 1135 CB TRP B 19 96.189 -14.110 38.175 1.00 0.00 C ATOM 1136 CG TRP B 19 96.523 -12.809 38.831 1.00 0.00 C ATOM 1137 CD1 TRP B 19 96.217 -12.485 40.108 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.212 -11.656 38.268 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.669 -11.202 40.363 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.291 -10.651 39.261 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.770 -11.384 37.006 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.900 -9.421 39.011 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.386 -10.148 36.751 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.450 -9.168 37.753 1.00 0.00 C ATOM 0 H TRP B 19 97.224 -14.860 40.344 1.00 0.00 H new ATOM 0 HA TRP B 19 97.140 -15.963 37.673 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.897 -13.938 37.139 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.336 -14.568 38.675 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.704 -13.123 40.813 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.556 -10.722 41.256 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.724 -12.131 36.227 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.946 -8.670 39.785 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.813 -9.951 35.779 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.924 -8.219 37.551 1.00 0.00 H new ATOM 1155 N ARG B 20 99.430 -13.758 38.379 1.00 0.00 N ATOM 1156 CA ARG B 20 100.631 -13.076 37.820 1.00 0.00 C ATOM 1157 C ARG B 20 101.535 -14.093 37.122 1.00 0.00 C ATOM 1158 O ARG B 20 102.090 -13.823 36.076 1.00 0.00 O ATOM 1159 CB ARG B 20 101.418 -12.412 38.951 1.00 0.00 C ATOM 1160 CG ARG B 20 100.635 -11.219 39.495 1.00 0.00 C ATOM 1161 CD ARG B 20 101.433 -10.566 40.625 1.00 0.00 C ATOM 1162 NE ARG B 20 102.755 -10.115 40.103 1.00 0.00 N ATOM 1163 CZ ARG B 20 103.476 -9.275 40.792 1.00 0.00 C ATOM 1164 NH1 ARG B 20 103.033 -8.815 41.928 1.00 0.00 N ATOM 1165 NH2 ARG B 20 104.642 -8.894 40.341 1.00 0.00 N ATOM 0 H ARG B 20 99.320 -13.683 39.390 1.00 0.00 H new ATOM 0 HA ARG B 20 100.304 -12.324 37.102 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.603 -13.131 39.749 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.391 -12.084 38.585 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.450 -10.497 38.700 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.662 -11.545 39.862 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.882 -9.718 41.031 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.575 -11.274 41.441 1.00 0.00 H new ATOM 0 HE ARG B 20 103.095 -10.464 39.207 1.00 0.00 H new ATOM 0 HH11 ARG B 20 102.122 -9.112 42.278 1.00 0.00 H new ATOM 0 HH12 ARG B 20 103.597 -8.158 42.467 1.00 0.00 H new ATOM 0 HH21 ARG B 20 104.987 -9.254 39.451 1.00 0.00 H new ATOM 0 HH22 ARG B 20 105.207 -8.237 40.879 1.00 0.00 H new ATOM 1179 N ALA B 21 101.690 -15.257 37.684 1.00 0.00 N ATOM 1180 CA ALA B 21 102.562 -16.275 37.035 1.00 0.00 C ATOM 1181 C ALA B 21 102.006 -16.587 35.647 1.00 0.00 C ATOM 1182 O ALA B 21 102.740 -16.744 34.692 1.00 0.00 O ATOM 1183 CB ALA B 21 102.580 -17.553 37.880 1.00 0.00 C ATOM 0 H ALA B 21 101.254 -15.548 38.559 1.00 0.00 H new ATOM 0 HA ALA B 21 103.578 -15.890 36.950 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.219 -18.296 37.402 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.967 -17.327 38.874 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.567 -17.947 37.966 1.00 0.00 H new ATOM 1189 N MET B 22 100.711 -16.674 35.531 1.00 0.00 N ATOM 1190 CA MET B 22 100.095 -16.968 34.210 1.00 0.00 C ATOM 1191 C MET B 22 100.423 -15.842 33.228 1.00 0.00 C ATOM 1192 O MET B 22 100.750 -16.077 32.082 1.00 0.00 O ATOM 1193 CB MET B 22 98.578 -17.061 34.384 1.00 0.00 C ATOM 1194 CG MET B 22 97.931 -17.586 33.102 1.00 0.00 C ATOM 1195 SD MET B 22 96.155 -17.242 33.147 1.00 0.00 S ATOM 1196 CE MET B 22 95.798 -18.043 34.729 1.00 0.00 C ATOM 0 H MET B 22 100.050 -16.553 36.299 1.00 0.00 H new ATOM 0 HA MET B 22 100.486 -17.909 33.822 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.340 -17.722 35.217 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.172 -16.080 34.630 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.383 -17.111 32.231 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.104 -18.658 33.006 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.766 -18.392 34.735 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.469 -18.891 34.867 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.944 -17.329 35.540 1.00 0.00 H new ATOM 1206 N ALA B 23 100.333 -14.617 33.665 1.00 0.00 N ATOM 1207 CA ALA B 23 100.633 -13.477 32.753 1.00 0.00 C ATOM 1208 C ALA B 23 102.096 -13.539 32.307 1.00 0.00 C ATOM 1209 O ALA B 23 102.413 -13.349 31.148 1.00 0.00 O ATOM 1210 CB ALA B 23 100.380 -12.158 33.485 1.00 0.00 C ATOM 0 H ALA B 23 100.065 -14.355 34.614 1.00 0.00 H new ATOM 0 HA ALA B 23 99.987 -13.539 31.877 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.599 -11.324 32.818 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.337 -12.109 33.796 1.00 0.00 H new ATOM 0 HB3 ALA B 23 101.024 -12.100 34.363 1.00 0.00 H new ATOM 1216 N SER B 24 102.992 -13.796 33.219 1.00 0.00 N ATOM 1217 CA SER B 24 104.437 -13.865 32.851 1.00 0.00 C ATOM 1218 C SER B 24 104.697 -15.089 31.970 1.00 0.00 C ATOM 1219 O SER B 24 105.465 -15.037 31.031 1.00 0.00 O ATOM 1220 CB SER B 24 105.283 -13.965 34.121 1.00 0.00 C ATOM 1221 OG SER B 24 105.165 -12.758 34.862 1.00 0.00 O ATOM 0 H SER B 24 102.787 -13.962 34.204 1.00 0.00 H new ATOM 0 HA SER B 24 104.706 -12.964 32.300 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.953 -14.810 34.726 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.326 -14.146 33.863 1.00 0.00 H new ATOM 0 HG SER B 24 105.705 -12.821 35.677 1.00 0.00 H new ATOM 1227 N ASP B 25 104.077 -16.194 32.277 1.00 0.00 N ATOM 1228 CA ASP B 25 104.304 -17.426 31.468 1.00 0.00 C ATOM 1229 C ASP B 25 103.894 -17.190 30.014 1.00 0.00 C ATOM 1230 O ASP B 25 104.569 -17.614 29.096 1.00 0.00 O ATOM 1231 CB ASP B 25 103.477 -18.575 32.047 1.00 0.00 C ATOM 1232 CG ASP B 25 103.711 -19.837 31.216 1.00 0.00 C ATOM 1233 OD1 ASP B 25 104.637 -20.567 31.532 1.00 0.00 O ATOM 1234 OD2 ASP B 25 102.963 -20.053 30.277 1.00 0.00 O ATOM 0 H ASP B 25 103.423 -16.298 33.053 1.00 0.00 H new ATOM 0 HA ASP B 25 105.364 -17.679 31.501 1.00 0.00 H new ATOM 0 HB2 ASP B 25 103.757 -18.753 33.085 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.419 -18.314 32.043 1.00 0.00 H new ATOM 1239 N PHE B 26 102.788 -16.526 29.795 1.00 0.00 N ATOM 1240 CA PHE B 26 102.316 -16.267 28.396 1.00 0.00 C ATOM 1241 C PHE B 26 102.632 -14.822 27.994 1.00 0.00 C ATOM 1242 O PHE B 26 102.343 -14.400 26.892 1.00 0.00 O ATOM 1243 CB PHE B 26 100.806 -16.503 28.321 1.00 0.00 C ATOM 1244 CG PHE B 26 100.520 -17.980 28.489 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.349 -18.520 29.769 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.428 -18.809 27.363 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.087 -19.886 29.926 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.166 -20.176 27.520 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.995 -20.714 28.801 1.00 0.00 C ATOM 0 H PHE B 26 102.187 -16.149 30.527 1.00 0.00 H new ATOM 0 HA PHE B 26 102.828 -16.944 27.712 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.298 -15.932 29.098 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.419 -16.153 27.364 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.419 -17.881 30.637 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.559 -18.394 26.375 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.956 -20.301 30.914 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.096 -20.815 26.652 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.792 -21.768 28.921 1.00 0.00 H new ATOM 1259 N ASN B 27 103.233 -14.070 28.877 1.00 0.00 N ATOM 1260 CA ASN B 27 103.592 -12.653 28.557 1.00 0.00 C ATOM 1261 C ASN B 27 102.354 -11.864 28.115 1.00 0.00 C ATOM 1262 O ASN B 27 102.404 -11.090 27.179 1.00 0.00 O ATOM 1263 CB ASN B 27 104.645 -12.623 27.444 1.00 0.00 C ATOM 1264 CG ASN B 27 105.974 -13.145 27.991 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.242 -13.040 29.171 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.821 -13.714 27.178 1.00 0.00 N ATOM 0 H ASN B 27 103.494 -14.377 29.814 1.00 0.00 H new ATOM 0 HA ASN B 27 103.997 -12.189 29.457 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.319 -13.235 26.603 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.767 -11.606 27.070 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.708 -14.071 27.533 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.596 -13.802 26.187 1.00 0.00 H new ATOM 1273 N LEU B 28 101.247 -12.043 28.793 1.00 0.00 N ATOM 1274 CA LEU B 28 99.994 -11.297 28.439 1.00 0.00 C ATOM 1275 C LEU B 28 99.688 -10.315 29.575 1.00 0.00 C ATOM 1276 O LEU B 28 100.034 -10.568 30.711 1.00 0.00 O ATOM 1277 CB LEU B 28 98.839 -12.298 28.312 1.00 0.00 C ATOM 1278 CG LEU B 28 99.152 -13.320 27.213 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.199 -14.508 27.345 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.988 -12.680 25.825 1.00 0.00 C ATOM 0 H LEU B 28 101.155 -12.680 29.585 1.00 0.00 H new ATOM 0 HA LEU B 28 100.118 -10.761 27.498 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.683 -12.809 29.262 1.00 0.00 H new ATOM 0 HB3 LEU B 28 97.914 -11.771 28.078 1.00 0.00 H new ATOM 0 HG LEU B 28 100.183 -13.657 27.323 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.417 -15.238 26.566 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.329 -14.972 28.323 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.170 -14.163 27.241 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.214 -13.418 25.055 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.962 -12.331 25.704 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.672 -11.836 25.730 1.00 0.00 H new ATOM 1292 N PRO B 29 99.051 -9.202 29.296 1.00 0.00 N ATOM 1293 CA PRO B 29 98.727 -8.205 30.356 1.00 0.00 C ATOM 1294 C PRO B 29 97.668 -8.748 31.334 1.00 0.00 C ATOM 1295 O PRO B 29 96.828 -9.541 30.954 1.00 0.00 O ATOM 1296 CB PRO B 29 98.187 -6.999 29.569 1.00 0.00 C ATOM 1297 CG PRO B 29 97.657 -7.580 28.301 1.00 0.00 C ATOM 1298 CD PRO B 29 98.572 -8.764 27.970 1.00 0.00 C ATOM 0 HA PRO B 29 99.590 -7.956 30.974 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.405 -6.482 30.125 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.973 -6.270 29.372 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.624 -7.906 28.422 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.667 -6.842 27.499 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.032 -9.558 27.455 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.397 -8.467 27.322 1.00 0.00 H new ATOM 1306 N PRO B 30 97.700 -8.336 32.581 1.00 0.00 N ATOM 1307 CA PRO B 30 96.721 -8.808 33.599 1.00 0.00 C ATOM 1308 C PRO B 30 95.294 -8.907 33.038 1.00 0.00 C ATOM 1309 O PRO B 30 94.441 -9.560 33.601 1.00 0.00 O ATOM 1310 CB PRO B 30 96.794 -7.731 34.693 1.00 0.00 C ATOM 1311 CG PRO B 30 98.180 -7.159 34.602 1.00 0.00 C ATOM 1312 CD PRO B 30 98.666 -7.379 33.158 1.00 0.00 C ATOM 0 HA PRO B 30 96.957 -9.811 33.954 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.040 -6.960 34.535 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.610 -8.159 35.678 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.176 -6.097 34.850 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.846 -7.649 35.312 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.680 -6.444 32.598 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.680 -7.778 33.138 1.00 0.00 H new ATOM 1320 N VAL B 31 95.024 -8.247 31.947 1.00 0.00 N ATOM 1321 CA VAL B 31 93.645 -8.282 31.379 1.00 0.00 C ATOM 1322 C VAL B 31 93.241 -9.715 31.029 1.00 0.00 C ATOM 1323 O VAL B 31 92.178 -10.171 31.402 1.00 0.00 O ATOM 1324 CB VAL B 31 93.613 -7.410 30.116 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.295 -7.609 29.357 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.750 -5.942 30.517 1.00 0.00 C ATOM 0 H VAL B 31 95.696 -7.686 31.424 1.00 0.00 H new ATOM 0 HA VAL B 31 92.940 -7.901 32.118 1.00 0.00 H new ATOM 0 HB VAL B 31 94.438 -7.700 29.465 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.291 -6.983 28.465 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.197 -8.655 29.067 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.460 -7.331 29.999 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.728 -5.317 29.624 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.925 -5.666 31.174 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.695 -5.794 31.040 1.00 0.00 H new ATOM 1336 N VAL B 32 94.060 -10.431 30.320 1.00 0.00 N ATOM 1337 CA VAL B 32 93.681 -11.826 29.963 1.00 0.00 C ATOM 1338 C VAL B 32 93.685 -12.689 31.225 1.00 0.00 C ATOM 1339 O VAL B 32 92.795 -13.485 31.450 1.00 0.00 O ATOM 1340 CB VAL B 32 94.674 -12.386 28.940 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.438 -13.890 28.757 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.477 -11.671 27.601 1.00 0.00 C ATOM 0 H VAL B 32 94.967 -10.118 29.974 1.00 0.00 H new ATOM 0 HA VAL B 32 92.683 -11.833 29.525 1.00 0.00 H new ATOM 0 HB VAL B 32 95.691 -12.224 29.297 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.147 -14.284 28.028 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.578 -14.399 29.711 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.421 -14.058 28.402 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.182 -12.067 26.870 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.459 -11.834 27.248 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.650 -10.603 27.730 1.00 0.00 H new ATOM 1352 N ALA B 33 94.683 -12.537 32.049 1.00 0.00 N ATOM 1353 CA ALA B 33 94.744 -13.349 33.294 1.00 0.00 C ATOM 1354 C ALA B 33 93.578 -12.976 34.215 1.00 0.00 C ATOM 1355 O ALA B 33 92.964 -13.830 34.821 1.00 0.00 O ATOM 1356 CB ALA B 33 96.074 -13.098 34.009 1.00 0.00 C ATOM 0 H ALA B 33 95.457 -11.887 31.914 1.00 0.00 H new ATOM 0 HA ALA B 33 94.670 -14.406 33.037 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.115 -13.694 34.920 1.00 0.00 H new ATOM 0 HB2 ALA B 33 96.898 -13.379 33.354 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.157 -12.041 34.263 1.00 0.00 H new ATOM 1362 N LYS B 34 93.259 -11.710 34.324 1.00 0.00 N ATOM 1363 CA LYS B 34 92.126 -11.310 35.208 1.00 0.00 C ATOM 1364 C LYS B 34 90.816 -11.906 34.684 1.00 0.00 C ATOM 1365 O LYS B 34 89.982 -12.350 35.446 1.00 0.00 O ATOM 1366 CB LYS B 34 92.017 -9.781 35.260 1.00 0.00 C ATOM 1367 CG LYS B 34 93.169 -9.183 36.091 1.00 0.00 C ATOM 1368 CD LYS B 34 92.857 -9.278 37.593 1.00 0.00 C ATOM 1369 CE LYS B 34 93.890 -8.467 38.379 1.00 0.00 C ATOM 1370 NZ LYS B 34 93.764 -7.026 38.026 1.00 0.00 N ATOM 0 H LYS B 34 93.730 -10.944 33.843 1.00 0.00 H new ATOM 0 HA LYS B 34 92.312 -11.689 36.213 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.042 -9.375 34.249 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.060 -9.494 35.696 1.00 0.00 H new ATOM 0 HG2 LYS B 34 94.096 -9.713 35.872 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.324 -8.141 35.811 1.00 0.00 H new ATOM 0 HD2 LYS B 34 91.854 -8.900 37.792 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.875 -10.319 37.914 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.738 -8.605 39.450 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.895 -8.821 38.152 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.092 -6.443 38.823 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.343 -6.822 37.186 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.769 -6.804 37.822 1.00 0.00 H new ATOM 1384 N GLU B 35 90.620 -11.917 33.393 1.00 0.00 N ATOM 1385 CA GLU B 35 89.351 -12.485 32.851 1.00 0.00 C ATOM 1386 C GLU B 35 89.239 -13.960 33.245 1.00 0.00 C ATOM 1387 O GLU B 35 88.176 -14.437 33.588 1.00 0.00 O ATOM 1388 CB GLU B 35 89.336 -12.359 31.322 1.00 0.00 C ATOM 1389 CG GLU B 35 87.908 -12.559 30.795 1.00 0.00 C ATOM 1390 CD GLU B 35 87.475 -14.013 31.008 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.032 -14.878 30.355 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.594 -14.234 31.823 1.00 0.00 O ATOM 0 H GLU B 35 91.275 -11.562 32.697 1.00 0.00 H new ATOM 0 HA GLU B 35 88.506 -11.934 33.265 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.708 -11.378 31.026 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.003 -13.100 30.881 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.223 -11.887 31.311 1.00 0.00 H new ATOM 0 HG3 GLU B 35 87.863 -12.308 29.735 1.00 0.00 H new ATOM 1399 N ILE B 36 90.321 -14.688 33.202 1.00 0.00 N ATOM 1400 CA ILE B 36 90.253 -16.127 33.577 1.00 0.00 C ATOM 1401 C ILE B 36 89.818 -16.231 35.038 1.00 0.00 C ATOM 1402 O ILE B 36 89.022 -17.074 35.402 1.00 0.00 O ATOM 1403 CB ILE B 36 91.627 -16.776 33.378 1.00 0.00 C ATOM 1404 CG1 ILE B 36 91.925 -16.858 31.877 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.621 -18.188 33.974 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.403 -17.185 31.660 1.00 0.00 C ATOM 0 H ILE B 36 91.243 -14.351 32.925 1.00 0.00 H new ATOM 0 HA ILE B 36 89.532 -16.648 32.947 1.00 0.00 H new ATOM 0 HB ILE B 36 92.391 -16.179 33.877 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.302 -17.623 31.414 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.678 -15.912 31.396 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.599 -18.647 33.831 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.398 -18.132 35.040 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.861 -18.790 33.476 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.610 -17.242 30.591 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.018 -16.404 32.107 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.636 -18.142 32.126 1.00 0.00 H new ATOM 1418 N VAL B 37 90.317 -15.364 35.875 1.00 0.00 N ATOM 1419 CA VAL B 37 89.914 -15.395 37.307 1.00 0.00 C ATOM 1420 C VAL B 37 88.408 -15.137 37.389 1.00 0.00 C ATOM 1421 O VAL B 37 87.700 -15.745 38.166 1.00 0.00 O ATOM 1422 CB VAL B 37 90.669 -14.303 38.076 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.085 -14.161 39.484 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.148 -14.681 38.176 1.00 0.00 C ATOM 0 H VAL B 37 90.987 -14.635 35.628 1.00 0.00 H new ATOM 0 HA VAL B 37 90.152 -16.364 37.745 1.00 0.00 H new ATOM 0 HB VAL B 37 90.567 -13.356 37.547 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.625 -13.384 40.025 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.032 -13.890 39.415 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.182 -15.108 40.015 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.686 -13.906 38.722 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.246 -15.630 38.703 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.568 -14.777 37.175 1.00 0.00 H new ATOM 1434 N ALA B 38 87.921 -14.234 36.585 1.00 0.00 N ATOM 1435 CA ALA B 38 86.466 -13.915 36.596 1.00 0.00 C ATOM 1436 C ALA B 38 85.665 -15.124 36.103 1.00 0.00 C ATOM 1437 O ALA B 38 84.563 -15.372 36.550 1.00 0.00 O ATOM 1438 CB ALA B 38 86.203 -12.718 35.677 1.00 0.00 C ATOM 0 H ALA B 38 88.473 -13.699 35.915 1.00 0.00 H new ATOM 0 HA ALA B 38 86.157 -13.672 37.613 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.139 -12.482 35.683 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.768 -11.856 36.032 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.515 -12.963 34.662 1.00 0.00 H new ATOM 1444 N SER B 39 86.199 -15.869 35.175 1.00 0.00 N ATOM 1445 CA SER B 39 85.451 -17.047 34.647 1.00 0.00 C ATOM 1446 C SER B 39 85.452 -18.181 35.677 1.00 0.00 C ATOM 1447 O SER B 39 84.474 -18.886 35.831 1.00 0.00 O ATOM 1448 CB SER B 39 86.107 -17.533 33.354 1.00 0.00 C ATOM 1449 OG SER B 39 86.024 -16.508 32.372 1.00 0.00 O ATOM 0 H SER B 39 87.118 -15.715 34.760 1.00 0.00 H new ATOM 0 HA SER B 39 84.421 -16.750 34.447 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.149 -17.794 33.537 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.610 -18.435 32.997 1.00 0.00 H new ATOM 0 HG SER B 39 86.600 -15.759 32.632 1.00 0.00 H new ATOM 1455 N CYS B 40 86.532 -18.371 36.383 1.00 0.00 N ATOM 1456 CA CYS B 40 86.566 -19.469 37.394 1.00 0.00 C ATOM 1457 C CYS B 40 85.746 -19.056 38.617 1.00 0.00 C ATOM 1458 O CYS B 40 86.082 -18.120 39.316 1.00 0.00 O ATOM 1459 CB CYS B 40 88.011 -19.745 37.817 1.00 0.00 C ATOM 1460 SG CYS B 40 88.085 -21.332 38.686 1.00 0.00 S ATOM 0 H CYS B 40 87.387 -17.820 36.306 1.00 0.00 H new ATOM 0 HA CYS B 40 86.144 -20.374 36.957 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.661 -19.765 36.942 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.372 -18.945 38.464 1.00 0.00 H new ATOM 0 HG CYS B 40 89.315 -21.753 38.717 1.00 0.00 H new ATOM 1465 N ASP B 41 84.667 -19.743 38.876 1.00 0.00 N ATOM 1466 CA ASP B 41 83.820 -19.386 40.048 1.00 0.00 C ATOM 1467 C ASP B 41 84.632 -19.501 41.341 1.00 0.00 C ATOM 1468 O ASP B 41 84.506 -18.689 42.235 1.00 0.00 O ATOM 1469 CB ASP B 41 82.618 -20.333 40.113 1.00 0.00 C ATOM 1470 CG ASP B 41 81.664 -20.020 38.958 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.187 -18.898 38.899 1.00 0.00 O ATOM 1472 OD2 ASP B 41 81.427 -20.906 38.155 1.00 0.00 O ATOM 0 H ASP B 41 84.336 -20.536 38.326 1.00 0.00 H new ATOM 0 HA ASP B 41 83.474 -18.358 39.938 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.953 -21.369 40.053 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.102 -20.220 41.067 1.00 0.00 H new ATOM 1477 N LYS B 42 85.454 -20.507 41.454 1.00 0.00 N ATOM 1478 CA LYS B 42 86.256 -20.668 42.701 1.00 0.00 C ATOM 1479 C LYS B 42 87.170 -19.453 42.901 1.00 0.00 C ATOM 1480 O LYS B 42 87.283 -18.930 43.992 1.00 0.00 O ATOM 1481 CB LYS B 42 87.117 -21.937 42.598 1.00 0.00 C ATOM 1482 CG LYS B 42 86.230 -23.194 42.609 1.00 0.00 C ATOM 1483 CD LYS B 42 85.700 -23.480 44.025 1.00 0.00 C ATOM 1484 CE LYS B 42 85.150 -24.908 44.082 1.00 0.00 C ATOM 1485 NZ LYS B 42 86.274 -25.878 43.949 1.00 0.00 N ATOM 0 H LYS B 42 85.605 -21.221 40.742 1.00 0.00 H new ATOM 0 HA LYS B 42 85.577 -20.750 43.550 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.707 -21.909 41.682 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.821 -21.974 43.430 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.393 -23.059 41.924 1.00 0.00 H new ATOM 0 HG3 LYS B 42 86.801 -24.050 42.250 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.499 -23.356 44.756 1.00 0.00 H new ATOM 0 HD3 LYS B 42 84.918 -22.766 44.284 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.625 -25.070 45.023 1.00 0.00 H new ATOM 0 HE3 LYS B 42 84.425 -25.062 43.282 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 86.284 -26.513 44.773 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 86.148 -26.438 43.082 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 87.175 -25.361 43.900 1.00 0.00 H new ATOM 1499 N CYS B 43 87.827 -19.000 41.865 1.00 0.00 N ATOM 1500 CA CYS B 43 88.736 -17.822 42.020 1.00 0.00 C ATOM 1501 C CYS B 43 87.929 -16.519 42.018 1.00 0.00 C ATOM 1502 O CYS B 43 88.313 -15.536 42.623 1.00 0.00 O ATOM 1503 CB CYS B 43 89.730 -17.760 40.851 1.00 0.00 C ATOM 1504 SG CYS B 43 90.427 -19.393 40.530 1.00 0.00 S ATOM 0 H CYS B 43 87.775 -19.390 40.924 1.00 0.00 H new ATOM 0 HA CYS B 43 89.267 -17.934 42.965 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.227 -17.390 39.957 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.529 -17.056 41.082 1.00 0.00 H new ATOM 0 HG CYS B 43 89.564 -20.112 39.876 1.00 0.00 H new ATOM 1509 N GLN B 44 86.848 -16.489 41.291 1.00 0.00 N ATOM 1510 CA GLN B 44 86.045 -15.235 41.179 1.00 0.00 C ATOM 1511 C GLN B 44 85.356 -14.873 42.499 1.00 0.00 C ATOM 1512 O GLN B 44 85.497 -13.771 42.991 1.00 0.00 O ATOM 1513 CB GLN B 44 84.994 -15.436 40.087 1.00 0.00 C ATOM 1514 CG GLN B 44 84.210 -14.142 39.863 1.00 0.00 C ATOM 1515 CD GLN B 44 83.214 -14.356 38.721 1.00 0.00 C ATOM 1516 OE1 GLN B 44 82.442 -15.294 38.742 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.208 -13.528 37.711 1.00 0.00 N ATOM 0 H GLN B 44 86.482 -17.283 40.765 1.00 0.00 H new ATOM 0 HA GLN B 44 86.716 -14.413 40.930 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.477 -15.742 39.159 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.313 -16.238 40.371 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.683 -13.858 40.774 1.00 0.00 H new ATOM 0 HG3 GLN B 44 84.891 -13.326 39.621 1.00 0.00 H new ATOM 0 HE21 GLN B 44 83.856 -12.741 37.693 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.555 -13.669 36.940 1.00 0.00 H new