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= -3.93! C(o=-5.6!,f=-8.2!) USER MOD Set 1.2: B 16 HIS : no HE2:sc= -1.36 K(o=-5.6,f=-7.4!) USER MOD Set 1.3: B 40 CYS SG : rot -130:sc= 1.53 USER MOD Set 1.4: B 43 CYS SG : rot 159:sc= -1.88 USER MOD Set 2.1: A 12 HIS : no HE2:sc= -4.27! C(o=-6.1!,f=-6.8!) USER MOD Set 2.2: A 16 HIS : no HE2:sc= -1.16 K(o=-6.1,f=-8!) USER MOD Set 2.3: A 40 CYS SG : rot -138:sc= 1.34 USER MOD Set 2.4: A 43 CYS SG : rot 150:sc= -2 USER MOD Single : A 1 PHE N :NH3+ 162:sc= 0.444 (180deg=0.362) 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=-1.6!) 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 -80:sc= 0.977 USER MOD Single : A 18 ASN : amide:sc= -0.0319 X(o=-0.032,f=0) USER MOD Single : A 22 MET CE :methyl -157:sc= -0.183 (180deg=-1.4) USER MOD Single : A 24 SER OG : rot 82:sc=0.000467 USER MOD Single : A 27 ASN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0662) USER MOD Single : A 39 SER OG : rot 69:sc= 0.236 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.0198 X(o=-0.02,f=0.11) USER MOD Single : B 1 PHE N :NH3+ 171:sc= 0.515 (180deg=0.344) 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=-1.7!) 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 -81:sc= 0.807 USER MOD Single : B 18 ASN : amide:sc= -0.0931 X(o=-0.093,f=0) USER MOD Single : B 22 MET CE :methyl -153:sc= -0.228 (180deg=-1.35) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : B 34 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0457) USER MOD Single : B 39 SER OG : rot 69:sc= 0.198 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 GLN : amide:sc= 0.176 X(o=0.18,f=-0.065) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.645 -3.463 24.042 1.00 0.00 N ATOM 2 CA PHE A 1 94.362 -4.157 25.334 1.00 0.00 C ATOM 3 C PHE A 1 93.992 -3.132 26.407 1.00 0.00 C ATOM 4 O PHE A 1 92.838 -2.816 26.615 1.00 0.00 O ATOM 5 CB PHE A 1 95.611 -4.919 25.795 1.00 0.00 C ATOM 6 CG PHE A 1 95.777 -6.180 24.984 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.266 -6.107 23.676 1.00 0.00 C ATOM 8 CD2 PHE A 1 95.459 -7.424 25.547 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.440 -7.277 22.928 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.631 -8.593 24.797 1.00 0.00 C ATOM 11 CZ PHE A 1 96.122 -8.520 23.489 1.00 0.00 C ATOM 0 H1 PHE A 1 95.179 -4.099 23.416 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.748 -3.200 23.586 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.206 -2.606 24.224 1.00 0.00 H new ATOM 0 HA PHE A 1 93.534 -4.850 25.185 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.493 -4.288 25.685 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.526 -5.166 26.853 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.509 -5.148 23.243 1.00 0.00 H new ATOM 0 HD2 PHE A 1 95.082 -7.480 26.558 1.00 0.00 H new ATOM 0 HE1 PHE A 1 96.819 -7.221 21.918 1.00 0.00 H new ATOM 0 HE2 PHE A 1 95.385 -9.552 25.228 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.256 -9.423 22.912 1.00 0.00 H new ATOM 23 N LEU A 2 94.972 -2.625 27.098 1.00 0.00 N ATOM 24 CA LEU A 2 94.700 -1.640 28.180 1.00 0.00 C ATOM 25 C LEU A 2 94.011 -0.402 27.598 1.00 0.00 C ATOM 26 O LEU A 2 93.110 0.153 28.197 1.00 0.00 O ATOM 27 CB LEU A 2 96.038 -1.219 28.792 1.00 0.00 C ATOM 28 CG LEU A 2 96.755 -2.438 29.385 1.00 0.00 C ATOM 29 CD1 LEU A 2 98.169 -2.030 29.807 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.983 -2.971 30.606 1.00 0.00 C ATOM 0 H LEU A 2 95.957 -2.852 26.959 1.00 0.00 H new ATOM 0 HA LEU A 2 94.053 -2.089 28.933 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.664 -0.754 28.031 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.872 -0.472 29.568 1.00 0.00 H new ATOM 0 HG LEU A 2 96.805 -3.226 28.634 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.685 -2.892 30.230 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.718 -1.669 28.938 1.00 0.00 H new ATOM 0 HD13 LEU A 2 98.112 -1.239 30.555 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.504 -3.836 31.016 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.920 -2.192 31.365 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.978 -3.263 30.302 1.00 0.00 H new ATOM 42 N ASP A 3 94.426 0.040 26.446 1.00 0.00 N ATOM 43 CA ASP A 3 93.796 1.251 25.843 1.00 0.00 C ATOM 44 C ASP A 3 92.321 0.984 25.543 1.00 0.00 C ATOM 45 O ASP A 3 91.469 1.829 25.752 1.00 0.00 O ATOM 46 CB ASP A 3 94.506 1.575 24.533 1.00 0.00 C ATOM 47 CG ASP A 3 95.917 2.078 24.832 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.036 3.085 25.508 1.00 0.00 O ATOM 49 OD2 ASP A 3 96.856 1.444 24.379 1.00 0.00 O ATOM 0 H ASP A 3 95.173 -0.382 25.894 1.00 0.00 H new ATOM 0 HA ASP A 3 93.879 2.082 26.543 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.550 0.688 23.902 1.00 0.00 H new ATOM 0 HB3 ASP A 3 93.948 2.331 23.981 1.00 0.00 H new ATOM 54 N GLY A 4 92.019 -0.183 25.054 1.00 0.00 N ATOM 55 CA GLY A 4 90.604 -0.523 24.727 1.00 0.00 C ATOM 56 C GLY A 4 89.756 -0.453 25.992 1.00 0.00 C ATOM 57 O GLY A 4 88.609 -0.054 25.966 1.00 0.00 O ATOM 0 H GLY A 4 92.695 -0.923 24.864 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.217 0.169 23.979 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.550 -1.523 24.296 1.00 0.00 H new ATOM 61 N ILE A 5 90.311 -0.852 27.100 1.00 0.00 N ATOM 62 CA ILE A 5 89.543 -0.826 28.374 1.00 0.00 C ATOM 63 C ILE A 5 89.255 0.620 28.795 1.00 0.00 C ATOM 64 O ILE A 5 88.181 0.932 29.271 1.00 0.00 O ATOM 65 CB ILE A 5 90.368 -1.525 29.459 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.366 -3.034 29.191 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.769 -1.237 30.840 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.417 -3.726 30.064 1.00 0.00 C ATOM 0 H ILE A 5 91.268 -1.197 27.179 1.00 0.00 H new ATOM 0 HA ILE A 5 88.592 -1.341 28.235 1.00 0.00 H new ATOM 0 HB ILE A 5 91.392 -1.151 29.439 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.379 -3.447 29.400 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.574 -3.224 28.138 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.362 -1.738 31.605 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.775 -0.162 31.022 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.744 -1.606 30.876 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.407 -4.798 29.865 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.403 -3.324 29.834 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.190 -3.550 31.115 1.00 0.00 H new ATOM 80 N ASP A 6 90.201 1.500 28.640 1.00 0.00 N ATOM 81 CA ASP A 6 89.968 2.912 29.058 1.00 0.00 C ATOM 82 C ASP A 6 88.799 3.495 28.283 1.00 0.00 C ATOM 83 O ASP A 6 87.866 4.034 28.846 1.00 0.00 O ATOM 84 CB ASP A 6 91.216 3.740 28.743 1.00 0.00 C ATOM 85 CG ASP A 6 91.107 5.113 29.410 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.179 5.834 29.085 1.00 0.00 O ATOM 87 OD2 ASP A 6 91.952 5.421 30.235 1.00 0.00 O ATOM 0 H ASP A 6 91.121 1.307 28.245 1.00 0.00 H new ATOM 0 HA ASP A 6 89.751 2.936 30.126 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.107 3.222 29.099 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.324 3.857 27.665 1.00 0.00 H new ATOM 92 N LYS A 7 88.849 3.396 26.995 1.00 0.00 N ATOM 93 CA LYS A 7 87.752 3.947 26.172 1.00 0.00 C ATOM 94 C LYS A 7 86.492 3.103 26.369 1.00 0.00 C ATOM 95 O LYS A 7 85.395 3.617 26.459 1.00 0.00 O ATOM 96 CB LYS A 7 88.202 3.924 24.712 1.00 0.00 C ATOM 97 CG LYS A 7 87.116 4.480 23.795 1.00 0.00 C ATOM 98 CD LYS A 7 86.852 5.960 24.092 1.00 0.00 C ATOM 99 CE LYS A 7 86.124 6.584 22.901 1.00 0.00 C ATOM 100 NZ LYS A 7 85.756 7.985 23.227 1.00 0.00 N ATOM 0 H LYS A 7 89.606 2.955 26.473 1.00 0.00 H new ATOM 0 HA LYS A 7 87.520 4.971 26.466 1.00 0.00 H new ATOM 0 HB2 LYS A 7 89.113 4.511 24.600 1.00 0.00 H new ATOM 0 HB3 LYS A 7 88.443 2.902 24.418 1.00 0.00 H new ATOM 0 HG2 LYS A 7 87.418 4.362 22.754 1.00 0.00 H new ATOM 0 HG3 LYS A 7 86.197 3.909 23.926 1.00 0.00 H new ATOM 0 HD2 LYS A 7 86.251 6.061 24.996 1.00 0.00 H new ATOM 0 HD3 LYS A 7 87.792 6.481 24.274 1.00 0.00 H new ATOM 0 HE2 LYS A 7 86.762 6.560 22.018 1.00 0.00 H new ATOM 0 HE3 LYS A 7 85.230 6.007 22.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 85.261 8.411 22.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 85.132 7.995 24.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 86.617 8.531 23.433 1.00 0.00 H new ATOM 114 N ALA A 8 86.639 1.814 26.445 1.00 0.00 N ATOM 115 CA ALA A 8 85.450 0.943 26.646 1.00 0.00 C ATOM 116 C ALA A 8 84.894 1.145 28.064 1.00 0.00 C ATOM 117 O ALA A 8 83.698 1.117 28.276 1.00 0.00 O ATOM 118 CB ALA A 8 85.849 -0.517 26.445 1.00 0.00 C ATOM 0 H ALA A 8 87.531 1.324 26.377 1.00 0.00 H new ATOM 0 HA ALA A 8 84.679 1.207 25.922 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.978 -1.156 26.592 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.232 -0.654 25.434 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.622 -0.785 27.165 1.00 0.00 H new ATOM 124 N GLN A 9 85.750 1.347 29.041 1.00 0.00 N ATOM 125 CA GLN A 9 85.257 1.543 30.439 1.00 0.00 C ATOM 126 C GLN A 9 84.402 2.811 30.495 1.00 0.00 C ATOM 127 O GLN A 9 84.770 3.840 29.961 1.00 0.00 O ATOM 128 CB GLN A 9 86.458 1.692 31.383 1.00 0.00 C ATOM 129 CG GLN A 9 85.980 1.887 32.823 1.00 0.00 C ATOM 130 CD GLN A 9 87.194 1.972 33.749 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.309 1.720 33.333 1.00 0.00 O ATOM 132 NE2 GLN A 9 87.021 2.301 34.998 1.00 0.00 N ATOM 0 H GLN A 9 86.763 1.384 28.929 1.00 0.00 H new ATOM 0 HA GLN A 9 84.659 0.685 30.745 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.091 0.807 31.319 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.067 2.542 31.076 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.384 2.796 32.901 1.00 0.00 H new ATOM 0 HG3 GLN A 9 85.338 1.058 33.121 1.00 0.00 H new ATOM 0 HE21 GLN A 9 86.085 2.512 35.345 1.00 0.00 H new ATOM 0 HE22 GLN A 9 87.821 2.348 35.629 1.00 0.00 H new ATOM 141 N GLU A 10 83.261 2.756 31.135 1.00 0.00 N ATOM 142 CA GLU A 10 82.392 3.974 31.217 1.00 0.00 C ATOM 143 C GLU A 10 81.622 3.961 32.536 1.00 0.00 C ATOM 144 O GLU A 10 81.936 3.214 33.443 1.00 0.00 O ATOM 145 CB GLU A 10 81.388 3.974 30.056 1.00 0.00 C ATOM 146 CG GLU A 10 82.110 4.232 28.729 1.00 0.00 C ATOM 147 CD GLU A 10 81.089 4.248 27.586 1.00 0.00 C ATOM 148 OE1 GLU A 10 80.137 3.486 27.655 1.00 0.00 O ATOM 149 OE2 GLU A 10 81.277 5.021 26.663 1.00 0.00 O ATOM 0 H GLU A 10 82.894 1.927 31.602 1.00 0.00 H new ATOM 0 HA GLU A 10 83.019 4.864 31.160 1.00 0.00 H new ATOM 0 HB2 GLU A 10 80.869 3.016 30.015 1.00 0.00 H new ATOM 0 HB3 GLU A 10 80.631 4.740 30.221 1.00 0.00 H new ATOM 0 HG2 GLU A 10 82.640 5.183 28.770 1.00 0.00 H new ATOM 0 HG3 GLU A 10 82.857 3.458 28.553 1.00 0.00 H new ATOM 156 N GLU A 11 80.605 4.773 32.650 1.00 0.00 N ATOM 157 CA GLU A 11 79.818 4.796 33.913 1.00 0.00 C ATOM 158 C GLU A 11 78.981 3.520 34.006 1.00 0.00 C ATOM 159 O GLU A 11 78.559 2.968 33.008 1.00 0.00 O ATOM 160 CB GLU A 11 78.899 6.025 33.942 1.00 0.00 C ATOM 161 CG GLU A 11 78.143 6.057 35.274 1.00 0.00 C ATOM 162 CD GLU A 11 77.243 7.291 35.327 1.00 0.00 C ATOM 163 OE1 GLU A 11 77.742 8.352 35.662 1.00 0.00 O ATOM 164 OE2 GLU A 11 76.066 7.151 35.039 1.00 0.00 O ATOM 0 H GLU A 11 80.288 5.418 31.926 1.00 0.00 H new ATOM 0 HA GLU A 11 80.500 4.850 34.762 1.00 0.00 H new ATOM 0 HB2 GLU A 11 79.486 6.936 33.821 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.195 5.987 33.111 1.00 0.00 H new ATOM 0 HG2 GLU A 11 77.544 5.153 35.385 1.00 0.00 H new ATOM 0 HG3 GLU A 11 78.850 6.075 36.104 1.00 0.00 H new ATOM 171 N HIS A 12 78.742 3.042 35.199 1.00 0.00 N ATOM 172 CA HIS A 12 77.934 1.796 35.356 1.00 0.00 C ATOM 173 C HIS A 12 76.498 2.074 34.930 1.00 0.00 C ATOM 174 O HIS A 12 75.596 2.114 35.739 1.00 0.00 O ATOM 175 CB HIS A 12 77.963 1.350 36.825 1.00 0.00 C ATOM 176 CG HIS A 12 77.007 0.200 37.054 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.374 -1.126 36.851 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.709 0.159 37.518 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.321 -1.901 37.197 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.287 -1.166 37.605 1.00 0.00 N ATOM 0 H HIS A 12 79.070 3.459 36.070 1.00 0.00 H new ATOM 0 HA HIS A 12 78.351 1.005 34.733 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.974 1.049 37.099 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.694 2.187 37.470 1.00 0.00 H new ATOM 0 HD1 HIS A 12 78.275 -1.455 36.504 1.00 0.00 H new ATOM 0 HD2 HIS A 12 75.111 1.021 37.774 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.318 -2.980 37.149 1.00 0.00 H new ATOM 188 N GLU A 13 76.282 2.270 33.655 1.00 0.00 N ATOM 189 CA GLU A 13 74.906 2.549 33.147 1.00 0.00 C ATOM 190 C GLU A 13 74.322 1.269 32.542 1.00 0.00 C ATOM 191 O GLU A 13 74.665 0.169 32.926 1.00 0.00 O ATOM 192 CB GLU A 13 74.976 3.661 32.081 1.00 0.00 C ATOM 193 CG GLU A 13 73.670 4.472 32.064 1.00 0.00 C ATOM 194 CD GLU A 13 73.658 5.456 33.237 1.00 0.00 C ATOM 195 OE1 GLU A 13 74.402 6.422 33.183 1.00 0.00 O ATOM 196 OE2 GLU A 13 72.902 5.229 34.168 1.00 0.00 O ATOM 0 H GLU A 13 77.007 2.248 32.938 1.00 0.00 H new ATOM 0 HA GLU A 13 74.265 2.879 33.964 1.00 0.00 H new ATOM 0 HB2 GLU A 13 75.818 4.321 32.290 1.00 0.00 H new ATOM 0 HB3 GLU A 13 75.151 3.221 31.099 1.00 0.00 H new ATOM 0 HG2 GLU A 13 73.579 5.013 31.122 1.00 0.00 H new ATOM 0 HG3 GLU A 13 72.813 3.801 32.131 1.00 0.00 H new ATOM 203 N LYS A 14 73.443 1.416 31.596 1.00 0.00 N ATOM 204 CA LYS A 14 72.824 0.231 30.952 1.00 0.00 C ATOM 205 C LYS A 14 73.860 -0.491 30.086 1.00 0.00 C ATOM 206 O LYS A 14 73.781 -1.686 29.876 1.00 0.00 O ATOM 207 CB LYS A 14 71.662 0.692 30.078 1.00 0.00 C ATOM 208 CG LYS A 14 70.557 1.267 30.963 1.00 0.00 C ATOM 209 CD LYS A 14 69.416 1.782 30.076 1.00 0.00 C ATOM 210 CE LYS A 14 68.684 0.608 29.403 1.00 0.00 C ATOM 211 NZ LYS A 14 67.287 1.021 29.080 1.00 0.00 N ATOM 0 H LYS A 14 73.124 2.316 31.238 1.00 0.00 H new ATOM 0 HA LYS A 14 72.463 -0.454 31.719 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.003 1.445 29.368 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.277 -0.145 29.495 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.186 0.502 31.645 1.00 0.00 H new ATOM 0 HG3 LYS A 14 70.951 2.077 31.576 1.00 0.00 H new ATOM 0 HD2 LYS A 14 68.713 2.360 30.676 1.00 0.00 H new ATOM 0 HD3 LYS A 14 69.814 2.454 29.316 1.00 0.00 H new ATOM 0 HE2 LYS A 14 69.207 0.311 28.494 1.00 0.00 H new ATOM 0 HE3 LYS A 14 68.676 -0.258 30.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 66.788 0.230 28.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 66.792 1.285 29.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 67.306 1.836 28.434 1.00 0.00 H new ATOM 225 N TYR A 15 74.819 0.224 29.568 1.00 0.00 N ATOM 226 CA TYR A 15 75.847 -0.419 28.703 1.00 0.00 C ATOM 227 C TYR A 15 76.586 -1.508 29.478 1.00 0.00 C ATOM 228 O TYR A 15 76.880 -2.559 28.949 1.00 0.00 O ATOM 229 CB TYR A 15 76.839 0.633 28.194 1.00 0.00 C ATOM 230 CG TYR A 15 76.237 1.367 27.020 1.00 0.00 C ATOM 231 CD1 TYR A 15 75.377 2.453 27.223 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.541 0.947 25.723 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.824 3.120 26.118 1.00 0.00 C ATOM 234 CE2 TYR A 15 75.993 1.606 24.622 1.00 0.00 C ATOM 235 CZ TYR A 15 75.134 2.695 24.815 1.00 0.00 C ATOM 236 OH TYR A 15 74.600 3.347 23.720 1.00 0.00 O ATOM 0 H TYR A 15 74.936 1.228 29.707 1.00 0.00 H new ATOM 0 HA TYR A 15 75.349 -0.877 27.848 1.00 0.00 H new ATOM 0 HB2 TYR A 15 77.080 1.336 28.991 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.772 0.155 27.897 1.00 0.00 H new ATOM 0 HD1 TYR A 15 75.140 2.777 28.226 1.00 0.00 H new ATOM 0 HD2 TYR A 15 77.204 0.108 25.572 1.00 0.00 H new ATOM 0 HE1 TYR A 15 74.161 3.959 26.269 1.00 0.00 H new ATOM 0 HE2 TYR A 15 76.231 1.276 23.621 1.00 0.00 H new ATOM 0 HH TYR A 15 74.921 2.922 22.897 1.00 0.00 H new ATOM 246 N HIS A 16 76.887 -1.281 30.718 1.00 0.00 N ATOM 247 CA HIS A 16 77.605 -2.330 31.485 1.00 0.00 C ATOM 248 C HIS A 16 76.742 -3.594 31.503 1.00 0.00 C ATOM 249 O HIS A 16 77.242 -4.693 31.377 1.00 0.00 O ATOM 250 CB HIS A 16 77.844 -1.848 32.922 1.00 0.00 C ATOM 251 CG HIS A 16 79.076 -0.992 32.991 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.783 -0.814 34.172 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.742 -0.261 32.038 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.824 -0.003 33.903 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.844 0.358 32.618 1.00 0.00 N ATOM 0 H HIS A 16 76.671 -0.426 31.231 1.00 0.00 H new ATOM 0 HA HIS A 16 78.568 -2.540 31.019 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.980 -1.282 33.270 1.00 0.00 H new ATOM 0 HB3 HIS A 16 77.952 -2.705 33.586 1.00 0.00 H new ATOM 0 HD1 HIS A 16 79.556 -1.223 35.078 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.455 -0.180 31.000 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.551 0.315 34.635 1.00 0.00 H new ATOM 263 N SER A 17 75.455 -3.457 31.660 1.00 0.00 N ATOM 264 CA SER A 17 74.592 -4.668 31.677 1.00 0.00 C ATOM 265 C SER A 17 74.702 -5.396 30.331 1.00 0.00 C ATOM 266 O SER A 17 74.775 -6.609 30.279 1.00 0.00 O ATOM 267 CB SER A 17 73.145 -4.251 31.926 1.00 0.00 C ATOM 268 OG SER A 17 72.623 -3.636 30.758 1.00 0.00 O ATOM 0 H SER A 17 74.968 -2.568 31.776 1.00 0.00 H new ATOM 0 HA SER A 17 74.916 -5.340 32.472 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.545 -5.121 32.191 1.00 0.00 H new ATOM 0 HB3 SER A 17 73.094 -3.560 32.768 1.00 0.00 H new ATOM 0 HG SER A 17 72.922 -2.704 30.718 1.00 0.00 H new ATOM 274 N ASN A 18 74.728 -4.668 29.241 1.00 0.00 N ATOM 275 CA ASN A 18 74.845 -5.325 27.898 1.00 0.00 C ATOM 276 C ASN A 18 76.310 -5.316 27.449 1.00 0.00 C ATOM 277 O ASN A 18 76.745 -4.438 26.728 1.00 0.00 O ATOM 278 CB ASN A 18 73.990 -4.558 26.887 1.00 0.00 C ATOM 279 CG ASN A 18 72.537 -4.544 27.362 1.00 0.00 C ATOM 280 OD1 ASN A 18 71.943 -3.494 27.511 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.937 -5.676 27.617 1.00 0.00 N ATOM 0 H ASN A 18 74.674 -3.650 29.221 1.00 0.00 H new ATOM 0 HA ASN A 18 74.497 -6.356 27.961 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.360 -3.538 26.780 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.059 -5.026 25.905 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.970 -5.679 27.941 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.436 -6.557 27.492 1.00 0.00 H new ATOM 288 N TRP A 19 77.073 -6.293 27.865 1.00 0.00 N ATOM 289 CA TRP A 19 78.510 -6.347 27.466 1.00 0.00 C ATOM 290 C TRP A 19 78.627 -6.676 25.974 1.00 0.00 C ATOM 291 O TRP A 19 79.598 -6.333 25.333 1.00 0.00 O ATOM 292 CB TRP A 19 79.239 -7.412 28.286 1.00 0.00 C ATOM 293 CG TRP A 19 78.719 -8.765 27.930 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.767 -9.432 28.618 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.096 -9.621 26.812 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.542 -10.650 28.003 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.336 -10.812 26.883 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.013 -9.484 25.755 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.486 -11.832 25.938 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.163 -10.502 24.803 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.403 -11.676 24.894 1.00 0.00 C ATOM 0 H TRP A 19 76.762 -7.057 28.465 1.00 0.00 H new ATOM 0 HA TRP A 19 78.965 -5.375 27.655 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.311 -7.362 28.094 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.097 -7.226 29.350 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.264 -9.073 29.504 1.00 0.00 H new ATOM 0 HE1 TRP A 19 76.872 -11.344 28.335 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.608 -8.586 25.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 77.897 -12.734 26.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.869 -10.381 23.994 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.525 -12.458 24.160 1.00 0.00 H new ATOM 312 N ARG A 20 77.655 -7.351 25.419 1.00 0.00 N ATOM 313 CA ARG A 20 77.742 -7.697 23.972 1.00 0.00 C ATOM 314 C ARG A 20 77.820 -6.412 23.154 1.00 0.00 C ATOM 315 O ARG A 20 78.559 -6.320 22.196 1.00 0.00 O ATOM 316 CB ARG A 20 76.489 -8.476 23.551 1.00 0.00 C ATOM 317 CG ARG A 20 76.511 -9.866 24.186 1.00 0.00 C ATOM 318 CD ARG A 20 75.269 -10.657 23.770 1.00 0.00 C ATOM 319 NE ARG A 20 75.300 -11.992 24.427 1.00 0.00 N ATOM 320 CZ ARG A 20 74.212 -12.704 24.519 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.093 -12.258 24.018 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.247 -13.867 25.111 1.00 0.00 N ATOM 0 H ARG A 20 76.815 -7.674 25.899 1.00 0.00 H new ATOM 0 HA ARG A 20 78.629 -8.307 23.800 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.593 -7.938 23.861 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.450 -8.562 22.465 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.411 -10.400 23.879 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.548 -9.777 25.272 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.366 -10.118 24.057 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.242 -10.772 22.686 1.00 0.00 H new ATOM 0 HE ARG A 20 76.176 -12.351 24.807 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.068 -11.350 23.553 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.243 -12.817 24.091 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.123 -14.215 25.499 1.00 0.00 H new ATOM 0 HH22 ARG A 20 73.398 -14.427 25.185 1.00 0.00 H new ATOM 336 N ALA A 21 77.075 -5.413 23.525 1.00 0.00 N ATOM 337 CA ALA A 21 77.114 -4.131 22.769 1.00 0.00 C ATOM 338 C ALA A 21 78.539 -3.573 22.807 1.00 0.00 C ATOM 339 O ALA A 21 79.037 -3.045 21.836 1.00 0.00 O ATOM 340 CB ALA A 21 76.160 -3.125 23.399 1.00 0.00 C ATOM 0 H ALA A 21 76.438 -5.427 24.322 1.00 0.00 H new ATOM 0 HA ALA A 21 76.811 -4.310 21.737 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.195 -2.190 22.839 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.145 -3.523 23.377 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.456 -2.941 24.432 1.00 0.00 H new ATOM 346 N MET A 22 79.185 -3.665 23.939 1.00 0.00 N ATOM 347 CA MET A 22 80.573 -3.126 24.055 1.00 0.00 C ATOM 348 C MET A 22 81.487 -3.834 23.057 1.00 0.00 C ATOM 349 O MET A 22 82.235 -3.209 22.331 1.00 0.00 O ATOM 350 CB MET A 22 81.095 -3.385 25.471 1.00 0.00 C ATOM 351 CG MET A 22 82.419 -2.643 25.688 1.00 0.00 C ATOM 352 SD MET A 22 83.217 -3.270 27.186 1.00 0.00 S ATOM 353 CE MET A 22 81.865 -2.900 28.322 1.00 0.00 C ATOM 0 H MET A 22 78.812 -4.090 24.788 1.00 0.00 H new ATOM 0 HA MET A 22 80.562 -2.056 23.846 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.359 -3.054 26.204 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.239 -4.455 25.624 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.073 -2.784 24.828 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.238 -1.572 25.779 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.255 -2.816 29.336 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.395 -1.959 28.034 1.00 0.00 H new ATOM 0 HE3 MET A 22 81.127 -3.701 28.282 1.00 0.00 H new ATOM 363 N ALA A 23 81.441 -5.135 23.023 1.00 0.00 N ATOM 364 CA ALA A 23 82.316 -5.889 22.079 1.00 0.00 C ATOM 365 C ALA A 23 81.972 -5.494 20.638 1.00 0.00 C ATOM 366 O ALA A 23 82.840 -5.233 19.829 1.00 0.00 O ATOM 367 CB ALA A 23 82.095 -7.390 22.288 1.00 0.00 C ATOM 0 H ALA A 23 80.836 -5.711 23.608 1.00 0.00 H new ATOM 0 HA ALA A 23 83.363 -5.651 22.266 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.730 -7.950 21.602 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.347 -7.655 23.315 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.050 -7.634 22.096 1.00 0.00 H new ATOM 373 N SER A 24 80.708 -5.437 20.316 1.00 0.00 N ATOM 374 CA SER A 24 80.303 -5.046 18.933 1.00 0.00 C ATOM 375 C SER A 24 80.754 -3.613 18.645 1.00 0.00 C ATOM 376 O SER A 24 81.175 -3.290 17.553 1.00 0.00 O ATOM 377 CB SER A 24 78.782 -5.102 18.817 1.00 0.00 C ATOM 378 OG SER A 24 78.349 -6.451 18.906 1.00 0.00 O ATOM 0 H SER A 24 79.937 -5.644 20.951 1.00 0.00 H new ATOM 0 HA SER A 24 80.765 -5.731 18.222 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.324 -4.509 19.609 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.463 -4.668 17.869 1.00 0.00 H new ATOM 0 HG SER A 24 78.296 -6.716 19.848 1.00 0.00 H new ATOM 384 N ASP A 25 80.630 -2.748 19.614 1.00 0.00 N ATOM 385 CA ASP A 25 81.013 -1.319 19.410 1.00 0.00 C ATOM 386 C ASP A 25 82.501 -1.200 19.095 1.00 0.00 C ATOM 387 O ASP A 25 82.903 -0.426 18.250 1.00 0.00 O ATOM 388 CB ASP A 25 80.707 -0.533 20.684 1.00 0.00 C ATOM 389 CG ASP A 25 81.072 0.943 20.491 1.00 0.00 C ATOM 390 OD1 ASP A 25 81.747 1.245 19.523 1.00 0.00 O ATOM 391 OD2 ASP A 25 80.664 1.746 21.314 1.00 0.00 O ATOM 0 H ASP A 25 80.278 -2.970 20.545 1.00 0.00 H new ATOM 0 HA ASP A 25 80.444 -0.919 18.571 1.00 0.00 H new ATOM 0 HB2 ASP A 25 79.650 -0.625 20.933 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.268 -0.948 21.521 1.00 0.00 H new ATOM 396 N PHE A 26 83.323 -1.937 19.791 1.00 0.00 N ATOM 397 CA PHE A 26 84.799 -1.854 19.561 1.00 0.00 C ATOM 398 C PHE A 26 85.274 -3.061 18.761 1.00 0.00 C ATOM 399 O PHE A 26 86.449 -3.207 18.486 1.00 0.00 O ATOM 400 CB PHE A 26 85.507 -1.820 20.911 1.00 0.00 C ATOM 401 CG PHE A 26 85.144 -0.543 21.626 1.00 0.00 C ATOM 402 CD1 PHE A 26 85.728 0.670 21.236 1.00 0.00 C ATOM 403 CD2 PHE A 26 84.222 -0.569 22.680 1.00 0.00 C ATOM 404 CE1 PHE A 26 85.391 1.855 21.902 1.00 0.00 C ATOM 405 CE2 PHE A 26 83.887 0.614 23.346 1.00 0.00 C ATOM 406 CZ PHE A 26 84.471 1.826 22.958 1.00 0.00 C ATOM 0 H PHE A 26 83.037 -2.598 20.514 1.00 0.00 H new ATOM 0 HA PHE A 26 85.030 -0.950 18.998 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.216 -2.683 21.510 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.586 -1.879 20.771 1.00 0.00 H new ATOM 0 HD1 PHE A 26 86.438 0.691 20.422 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.770 -1.503 22.978 1.00 0.00 H new ATOM 0 HE1 PHE A 26 85.840 2.790 21.602 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.178 0.593 24.160 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.212 2.739 23.473 1.00 0.00 H new ATOM 416 N ASN A 27 84.372 -3.918 18.374 1.00 0.00 N ATOM 417 CA ASN A 27 84.756 -5.114 17.572 1.00 0.00 C ATOM 418 C ASN A 27 85.820 -5.936 18.308 1.00 0.00 C ATOM 419 O ASN A 27 86.760 -6.424 17.713 1.00 0.00 O ATOM 420 CB ASN A 27 85.276 -4.662 16.203 1.00 0.00 C ATOM 421 CG ASN A 27 84.130 -4.002 15.430 1.00 0.00 C ATOM 422 OD1 ASN A 27 84.245 -2.875 14.990 1.00 0.00 O ATOM 423 ND2 ASN A 27 83.017 -4.660 15.255 1.00 0.00 N ATOM 0 H ASN A 27 83.376 -3.841 18.580 1.00 0.00 H new ATOM 0 HA ASN A 27 83.880 -5.747 17.431 1.00 0.00 H new ATOM 0 HB2 ASN A 27 86.101 -3.960 16.326 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.664 -5.515 15.647 1.00 0.00 H new ATOM 0 HD21 ASN A 27 82.244 -4.229 14.749 1.00 0.00 H new ATOM 0 HD22 ASN A 27 82.920 -5.606 15.624 1.00 0.00 H new ATOM 430 N LEU A 28 85.662 -6.108 19.599 1.00 0.00 N ATOM 431 CA LEU A 28 86.640 -6.917 20.397 1.00 0.00 C ATOM 432 C LEU A 28 85.944 -8.195 20.867 1.00 0.00 C ATOM 433 O LEU A 28 84.746 -8.206 21.070 1.00 0.00 O ATOM 434 CB LEU A 28 87.084 -6.110 21.621 1.00 0.00 C ATOM 435 CG LEU A 28 87.914 -4.903 21.173 1.00 0.00 C ATOM 436 CD1 LEU A 28 88.048 -3.913 22.335 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.315 -5.355 20.721 1.00 0.00 C ATOM 0 H LEU A 28 84.890 -5.719 20.140 1.00 0.00 H new ATOM 0 HA LEU A 28 87.509 -7.162 19.787 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.212 -5.775 22.183 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.672 -6.739 22.289 1.00 0.00 H new ATOM 0 HG LEU A 28 87.410 -4.421 20.335 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.639 -3.055 22.015 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.058 -3.578 22.643 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.543 -4.402 23.174 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.893 -4.487 20.405 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.823 -5.848 21.550 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.221 -6.051 19.887 1.00 0.00 H new ATOM 449 N PRO A 29 86.672 -9.274 21.040 1.00 0.00 N ATOM 450 CA PRO A 29 86.068 -10.557 21.491 1.00 0.00 C ATOM 451 C PRO A 29 85.533 -10.447 22.933 1.00 0.00 C ATOM 452 O PRO A 29 86.080 -9.717 23.737 1.00 0.00 O ATOM 453 CB PRO A 29 87.234 -11.563 21.409 1.00 0.00 C ATOM 454 CG PRO A 29 88.469 -10.728 21.507 1.00 0.00 C ATOM 455 CD PRO A 29 88.128 -9.399 20.834 1.00 0.00 C ATOM 0 HA PRO A 29 85.213 -10.852 20.883 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.185 -12.292 22.218 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.208 -12.122 20.474 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.757 -10.577 22.547 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.309 -11.213 21.011 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.670 -8.569 21.286 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.385 -9.408 19.775 1.00 0.00 H new ATOM 463 N PRO A 30 84.479 -11.159 23.264 1.00 0.00 N ATOM 464 CA PRO A 30 83.885 -11.121 24.633 1.00 0.00 C ATOM 465 C PRO A 30 84.949 -11.102 25.744 1.00 0.00 C ATOM 466 O PRO A 30 84.676 -10.731 26.871 1.00 0.00 O ATOM 467 CB PRO A 30 83.072 -12.421 24.702 1.00 0.00 C ATOM 468 CG PRO A 30 82.674 -12.724 23.287 1.00 0.00 C ATOM 469 CD PRO A 30 83.730 -12.075 22.377 1.00 0.00 C ATOM 0 HA PRO A 30 83.297 -10.217 24.791 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.665 -13.232 25.125 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.195 -12.302 25.339 1.00 0.00 H new ATOM 0 HG2 PRO A 30 82.630 -13.800 23.120 1.00 0.00 H new ATOM 0 HG3 PRO A 30 81.682 -12.327 23.071 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.387 -12.825 21.936 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.264 -11.535 21.553 1.00 0.00 H new ATOM 477 N VAL A 31 86.146 -11.526 25.446 1.00 0.00 N ATOM 478 CA VAL A 31 87.200 -11.567 26.502 1.00 0.00 C ATOM 479 C VAL A 31 87.441 -10.168 27.071 1.00 0.00 C ATOM 480 O VAL A 31 87.443 -9.975 28.268 1.00 0.00 O ATOM 481 CB VAL A 31 88.501 -12.094 25.877 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.661 -12.010 26.878 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.315 -13.551 25.450 1.00 0.00 C ATOM 0 H VAL A 31 86.440 -11.844 24.523 1.00 0.00 H new ATOM 0 HA VAL A 31 86.875 -12.221 27.311 1.00 0.00 H new ATOM 0 HB VAL A 31 88.737 -11.477 25.010 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.571 -12.389 26.413 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.810 -10.972 27.176 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.427 -12.610 27.758 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.240 -13.921 25.007 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.062 -14.156 26.321 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.511 -13.616 24.717 1.00 0.00 H new ATOM 493 N VAL A 32 87.646 -9.193 26.238 1.00 0.00 N ATOM 494 CA VAL A 32 87.893 -7.826 26.771 1.00 0.00 C ATOM 495 C VAL A 32 86.610 -7.300 27.413 1.00 0.00 C ATOM 496 O VAL A 32 86.630 -6.703 28.475 1.00 0.00 O ATOM 497 CB VAL A 32 88.336 -6.896 25.637 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.349 -5.446 26.136 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.745 -7.288 25.182 1.00 0.00 C ATOM 0 H VAL A 32 87.654 -9.278 25.222 1.00 0.00 H new ATOM 0 HA VAL A 32 88.684 -7.862 27.520 1.00 0.00 H new ATOM 0 HB VAL A 32 87.641 -6.986 24.802 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.664 -4.786 25.328 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.348 -5.165 26.464 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.044 -5.355 26.971 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.063 -6.628 24.375 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.436 -7.197 26.020 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.739 -8.319 24.827 1.00 0.00 H new ATOM 509 N ALA A 33 85.492 -7.523 26.781 1.00 0.00 N ATOM 510 CA ALA A 33 84.214 -7.044 27.363 1.00 0.00 C ATOM 511 C ALA A 33 83.964 -7.748 28.700 1.00 0.00 C ATOM 512 O ALA A 33 83.673 -7.111 29.691 1.00 0.00 O ATOM 513 CB ALA A 33 83.057 -7.328 26.398 1.00 0.00 C ATOM 0 H ALA A 33 85.411 -8.014 25.891 1.00 0.00 H new ATOM 0 HA ALA A 33 84.277 -5.968 27.528 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.124 -6.973 26.835 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.236 -6.813 25.454 1.00 0.00 H new ATOM 0 HB3 ALA A 33 82.988 -8.401 26.218 1.00 0.00 H new ATOM 519 N LYS A 34 84.076 -9.052 28.745 1.00 0.00 N ATOM 520 CA LYS A 34 83.841 -9.765 30.035 1.00 0.00 C ATOM 521 C LYS A 34 84.872 -9.330 31.080 1.00 0.00 C ATOM 522 O LYS A 34 84.554 -9.158 32.240 1.00 0.00 O ATOM 523 CB LYS A 34 83.898 -11.284 29.826 1.00 0.00 C ATOM 524 CG LYS A 34 82.658 -11.731 29.044 1.00 0.00 C ATOM 525 CD LYS A 34 82.703 -13.246 28.831 1.00 0.00 C ATOM 526 CE LYS A 34 81.404 -13.710 28.157 1.00 0.00 C ATOM 527 NZ LYS A 34 80.306 -13.747 29.164 1.00 0.00 N ATOM 0 H LYS A 34 84.317 -9.647 27.953 1.00 0.00 H new ATOM 0 HA LYS A 34 82.847 -9.504 30.399 1.00 0.00 H new ATOM 0 HB2 LYS A 34 84.803 -11.555 29.282 1.00 0.00 H new ATOM 0 HB3 LYS A 34 83.940 -11.794 30.788 1.00 0.00 H new ATOM 0 HG2 LYS A 34 81.754 -11.457 29.588 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.618 -11.220 28.082 1.00 0.00 H new ATOM 0 HD2 LYS A 34 83.560 -13.511 28.212 1.00 0.00 H new ATOM 0 HD3 LYS A 34 82.830 -13.754 29.787 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.143 -13.034 27.343 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.543 -14.698 27.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 79.480 -14.234 28.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 80.629 -14.258 30.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 80.042 -12.776 29.425 1.00 0.00 H new ATOM 541 N GLU A 35 86.103 -9.154 30.692 1.00 0.00 N ATOM 542 CA GLU A 35 87.136 -8.738 31.681 1.00 0.00 C ATOM 543 C GLU A 35 86.754 -7.382 32.283 1.00 0.00 C ATOM 544 O GLU A 35 86.870 -7.166 33.473 1.00 0.00 O ATOM 545 CB GLU A 35 88.486 -8.630 30.972 1.00 0.00 C ATOM 546 CG GLU A 35 89.615 -8.582 32.008 1.00 0.00 C ATOM 547 CD GLU A 35 89.622 -7.209 32.677 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.506 -6.226 31.962 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.742 -7.161 33.891 1.00 0.00 O ATOM 0 H GLU A 35 86.438 -9.279 29.737 1.00 0.00 H new ATOM 0 HA GLU A 35 87.201 -9.475 32.482 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.627 -9.482 30.307 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.511 -7.734 30.352 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.473 -9.363 32.755 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.575 -8.771 31.527 1.00 0.00 H new ATOM 556 N ILE A 36 86.278 -6.470 31.476 1.00 0.00 N ATOM 557 CA ILE A 36 85.875 -5.140 32.014 1.00 0.00 C ATOM 558 C ILE A 36 84.724 -5.344 33.006 1.00 0.00 C ATOM 559 O ILE A 36 84.665 -4.718 34.045 1.00 0.00 O ATOM 560 CB ILE A 36 85.418 -4.248 30.860 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.621 -3.914 29.970 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.822 -2.955 31.420 1.00 0.00 C ATOM 563 CD1 ILE A 36 86.130 -3.371 28.629 1.00 0.00 C ATOM 0 H ILE A 36 86.152 -6.589 30.471 1.00 0.00 H new ATOM 0 HA ILE A 36 86.715 -4.664 32.520 1.00 0.00 H new ATOM 0 HB ILE A 36 84.663 -4.770 30.272 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.257 -3.177 30.461 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.229 -4.805 29.813 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.496 -2.319 30.597 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.969 -3.193 32.055 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.576 -2.431 32.007 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.986 -3.134 27.997 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.512 -4.122 28.137 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.541 -2.469 28.795 1.00 0.00 H new ATOM 575 N VAL A 37 83.811 -6.225 32.682 1.00 0.00 N ATOM 576 CA VAL A 37 82.656 -6.492 33.590 1.00 0.00 C ATOM 577 C VAL A 37 83.177 -7.016 34.928 1.00 0.00 C ATOM 578 O VAL A 37 82.675 -6.671 35.979 1.00 0.00 O ATOM 579 CB VAL A 37 81.748 -7.557 32.959 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.693 -8.012 33.976 1.00 0.00 C ATOM 581 CG2 VAL A 37 81.053 -6.971 31.730 1.00 0.00 C ATOM 0 H VAL A 37 83.817 -6.774 31.822 1.00 0.00 H new ATOM 0 HA VAL A 37 82.094 -5.571 33.744 1.00 0.00 H new ATOM 0 HB VAL A 37 82.353 -8.414 32.663 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.052 -8.768 33.522 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.189 -8.434 34.850 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.088 -7.158 34.279 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.408 -7.727 31.282 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.452 -6.111 32.027 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.802 -6.656 31.004 1.00 0.00 H new ATOM 591 N ALA A 38 84.176 -7.851 34.897 1.00 0.00 N ATOM 592 CA ALA A 38 84.720 -8.406 36.166 1.00 0.00 C ATOM 593 C ALA A 38 85.421 -7.300 36.951 1.00 0.00 C ATOM 594 O ALA A 38 85.474 -7.326 38.164 1.00 0.00 O ATOM 595 CB ALA A 38 85.716 -9.526 35.867 1.00 0.00 C ATOM 0 H ALA A 38 84.640 -8.173 34.048 1.00 0.00 H new ATOM 0 HA ALA A 38 83.897 -8.809 36.756 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.107 -9.924 36.803 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.214 -10.321 35.316 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.538 -9.132 35.269 1.00 0.00 H new ATOM 601 N SER A 39 85.964 -6.331 36.274 1.00 0.00 N ATOM 602 CA SER A 39 86.668 -5.235 36.993 1.00 0.00 C ATOM 603 C SER A 39 85.650 -4.373 37.745 1.00 0.00 C ATOM 604 O SER A 39 85.908 -3.911 38.842 1.00 0.00 O ATOM 605 CB SER A 39 87.417 -4.361 35.986 1.00 0.00 C ATOM 606 OG SER A 39 88.382 -5.148 35.299 1.00 0.00 O ATOM 0 H SER A 39 85.952 -6.249 35.257 1.00 0.00 H new ATOM 0 HA SER A 39 87.374 -5.668 37.702 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.716 -3.924 35.275 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.906 -3.534 36.500 1.00 0.00 H new ATOM 0 HG SER A 39 87.925 -5.792 34.719 1.00 0.00 H new ATOM 612 N CYS A 40 84.498 -4.152 37.173 1.00 0.00 N ATOM 613 CA CYS A 40 83.477 -3.318 37.870 1.00 0.00 C ATOM 614 C CYS A 40 82.864 -4.117 39.027 1.00 0.00 C ATOM 615 O CYS A 40 82.166 -5.091 38.826 1.00 0.00 O ATOM 616 CB CYS A 40 82.387 -2.921 36.868 1.00 0.00 C ATOM 617 SG CYS A 40 81.009 -2.127 37.734 1.00 0.00 S ATOM 0 H CYS A 40 84.220 -4.510 36.259 1.00 0.00 H new ATOM 0 HA CYS A 40 83.944 -2.419 38.272 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.798 -2.241 36.121 1.00 0.00 H new ATOM 0 HB3 CYS A 40 82.032 -3.803 36.335 1.00 0.00 H new ATOM 0 HG CYS A 40 79.884 -2.559 37.247 1.00 0.00 H new ATOM 622 N ASP A 41 83.149 -3.724 40.239 1.00 0.00 N ATOM 623 CA ASP A 41 82.614 -4.460 41.423 1.00 0.00 C ATOM 624 C ASP A 41 81.082 -4.461 41.418 1.00 0.00 C ATOM 625 O ASP A 41 80.452 -5.447 41.749 1.00 0.00 O ATOM 626 CB ASP A 41 83.116 -3.797 42.705 1.00 0.00 C ATOM 627 CG ASP A 41 84.628 -4.005 42.832 1.00 0.00 C ATOM 628 OD1 ASP A 41 85.187 -4.692 41.996 1.00 0.00 O ATOM 629 OD2 ASP A 41 85.205 -3.466 43.763 1.00 0.00 O ATOM 0 H ASP A 41 83.734 -2.919 40.462 1.00 0.00 H new ATOM 0 HA ASP A 41 82.963 -5.492 41.375 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.885 -2.732 42.690 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.606 -4.222 43.570 1.00 0.00 H new ATOM 634 N LYS A 42 80.475 -3.361 41.060 1.00 0.00 N ATOM 635 CA LYS A 42 78.981 -3.295 41.058 1.00 0.00 C ATOM 636 C LYS A 42 78.417 -4.346 40.094 1.00 0.00 C ATOM 637 O LYS A 42 77.422 -4.984 40.376 1.00 0.00 O ATOM 638 CB LYS A 42 78.538 -1.902 40.587 1.00 0.00 C ATOM 639 CG LYS A 42 78.871 -0.856 41.654 1.00 0.00 C ATOM 640 CD LYS A 42 78.641 0.545 41.080 1.00 0.00 C ATOM 641 CE LYS A 42 77.153 0.750 40.782 1.00 0.00 C ATOM 642 NZ LYS A 42 76.858 2.210 40.737 1.00 0.00 N ATOM 0 H LYS A 42 80.947 -2.505 40.769 1.00 0.00 H new ATOM 0 HA LYS A 42 78.611 -3.487 42.065 1.00 0.00 H new ATOM 0 HB2 LYS A 42 79.037 -1.650 39.651 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.466 -1.901 40.387 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.247 -1.007 42.535 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.907 -0.964 41.975 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.986 1.298 41.788 1.00 0.00 H new ATOM 0 HD3 LYS A 42 79.224 0.674 40.168 1.00 0.00 H new ATOM 0 HE2 LYS A 42 76.893 0.285 39.831 1.00 0.00 H new ATOM 0 HE3 LYS A 42 76.547 0.268 41.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 75.848 2.354 40.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 77.092 2.640 41.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.428 2.656 39.990 1.00 0.00 H new ATOM 656 N CYS A 43 79.044 -4.535 38.968 1.00 0.00 N ATOM 657 CA CYS A 43 78.541 -5.546 37.990 1.00 0.00 C ATOM 658 C CYS A 43 78.945 -6.954 38.435 1.00 0.00 C ATOM 659 O CYS A 43 78.375 -7.940 38.004 1.00 0.00 O ATOM 660 CB CYS A 43 79.155 -5.294 36.614 1.00 0.00 C ATOM 661 SG CYS A 43 78.524 -3.750 35.926 1.00 0.00 S ATOM 0 H CYS A 43 79.884 -4.034 38.680 1.00 0.00 H new ATOM 0 HA CYS A 43 77.455 -5.462 37.942 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.241 -5.248 36.695 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.920 -6.122 35.945 1.00 0.00 H new ATOM 0 HG CYS A 43 79.425 -3.218 35.154 1.00 0.00 H new ATOM 666 N GLN A 44 79.953 -7.063 39.260 1.00 0.00 N ATOM 667 CA GLN A 44 80.422 -8.412 39.693 1.00 0.00 C ATOM 668 C GLN A 44 79.493 -9.010 40.752 1.00 0.00 C ATOM 669 O GLN A 44 78.799 -9.975 40.503 1.00 0.00 O ATOM 670 CB GLN A 44 81.828 -8.288 40.279 1.00 0.00 C ATOM 671 CG GLN A 44 82.377 -9.682 40.594 1.00 0.00 C ATOM 672 CD GLN A 44 83.842 -9.564 41.010 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.700 -9.034 40.181 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.212 -9.959 42.101 1.00 0.00 N ATOM 0 H GLN A 44 80.471 -6.277 39.652 1.00 0.00 H new ATOM 0 HA GLN A 44 80.423 -9.070 38.824 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.484 -7.779 39.573 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.803 -7.682 41.185 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.796 -10.143 41.393 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.286 -10.328 39.721 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.541 -10.373 42.748 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.193 -9.876 42.368 1.00 0.00 H new ATOM 844 N PHE B 1 93.934 -14.433 21.772 1.00 0.00 N ATOM 845 CA PHE B 1 92.794 -14.121 22.688 1.00 0.00 C ATOM 846 C PHE B 1 92.152 -15.418 23.198 1.00 0.00 C ATOM 847 O PHE B 1 92.493 -15.929 24.246 1.00 0.00 O ATOM 848 CB PHE B 1 91.730 -13.317 21.934 1.00 0.00 C ATOM 849 CG PHE B 1 92.180 -11.889 21.764 1.00 0.00 C ATOM 850 CD1 PHE B 1 93.125 -11.575 20.786 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.635 -10.877 22.568 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.531 -10.250 20.607 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.045 -9.551 22.390 1.00 0.00 C ATOM 854 CZ PHE B 1 92.991 -9.237 21.409 1.00 0.00 C ATOM 0 H1 PHE B 1 94.262 -13.558 21.316 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.714 -14.852 22.318 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.620 -15.106 21.044 1.00 0.00 H new ATOM 0 HA PHE B 1 93.176 -13.544 23.530 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.547 -13.767 20.958 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.787 -13.346 22.480 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.542 -12.356 20.168 1.00 0.00 H new ATOM 0 HD2 PHE B 1 90.901 -11.120 23.322 1.00 0.00 H new ATOM 0 HE1 PHE B 1 94.262 -10.007 19.850 1.00 0.00 H new ATOM 0 HE2 PHE B 1 91.631 -8.770 23.010 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.305 -8.213 21.270 1.00 0.00 H new ATOM 866 N LEU B 2 91.203 -15.934 22.460 1.00 0.00 N ATOM 867 CA LEU B 2 90.505 -17.179 22.884 1.00 0.00 C ATOM 868 C LEU B 2 91.516 -18.325 22.986 1.00 0.00 C ATOM 869 O LEU B 2 91.460 -19.138 23.888 1.00 0.00 O ATOM 870 CB LEU B 2 89.443 -17.533 21.834 1.00 0.00 C ATOM 871 CG LEU B 2 88.418 -16.392 21.700 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.481 -16.684 20.518 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.591 -16.257 22.990 1.00 0.00 C ATOM 0 H LEU B 2 90.881 -15.541 21.575 1.00 0.00 H new ATOM 0 HA LEU B 2 90.035 -17.025 23.855 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.921 -17.716 20.872 1.00 0.00 H new ATOM 0 HB3 LEU B 2 88.935 -18.455 22.118 1.00 0.00 H new ATOM 0 HG LEU B 2 88.952 -15.458 21.527 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.755 -15.877 20.422 1.00 0.00 H new ATOM 0 HD12 LEU B 2 88.065 -16.758 19.601 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.958 -17.624 20.692 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.872 -15.446 22.878 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.060 -17.189 23.181 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.255 -16.040 23.827 1.00 0.00 H new ATOM 885 N ASP B 3 92.435 -18.400 22.061 1.00 0.00 N ATOM 886 CA ASP B 3 93.447 -19.497 22.096 1.00 0.00 C ATOM 887 C ASP B 3 94.313 -19.385 23.352 1.00 0.00 C ATOM 888 O ASP B 3 94.623 -20.370 23.994 1.00 0.00 O ATOM 889 CB ASP B 3 94.349 -19.390 20.866 1.00 0.00 C ATOM 890 CG ASP B 3 93.567 -19.792 19.614 1.00 0.00 C ATOM 891 OD1 ASP B 3 93.067 -20.906 19.584 1.00 0.00 O ATOM 892 OD2 ASP B 3 93.485 -18.984 18.706 1.00 0.00 O ATOM 0 H ASP B 3 92.529 -17.749 21.282 1.00 0.00 H new ATOM 0 HA ASP B 3 92.926 -20.454 22.103 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.719 -18.370 20.763 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.220 -20.035 20.985 1.00 0.00 H new ATOM 897 N GLY B 4 94.708 -18.194 23.704 1.00 0.00 N ATOM 898 CA GLY B 4 95.564 -18.007 24.916 1.00 0.00 C ATOM 899 C GLY B 4 94.812 -18.504 26.149 1.00 0.00 C ATOM 900 O GLY B 4 95.389 -19.061 27.061 1.00 0.00 O ATOM 0 H GLY B 4 94.475 -17.336 23.204 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.500 -18.554 24.802 1.00 0.00 H new ATOM 0 HA3 GLY B 4 95.822 -16.955 25.034 1.00 0.00 H new ATOM 904 N ILE B 5 93.527 -18.296 26.185 1.00 0.00 N ATOM 905 CA ILE B 5 92.728 -18.744 27.356 1.00 0.00 C ATOM 906 C ILE B 5 92.709 -20.277 27.434 1.00 0.00 C ATOM 907 O ILE B 5 92.794 -20.851 28.503 1.00 0.00 O ATOM 908 CB ILE B 5 91.294 -18.216 27.210 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.281 -16.704 27.467 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.374 -18.910 28.218 1.00 0.00 C ATOM 911 CD1 ILE B 5 89.931 -16.110 27.048 1.00 0.00 C ATOM 0 H ILE B 5 92.993 -17.832 25.450 1.00 0.00 H new ATOM 0 HA ILE B 5 93.177 -18.356 28.270 1.00 0.00 H new ATOM 0 HB ILE B 5 90.938 -18.423 26.201 1.00 0.00 H new ATOM 0 HG12 ILE B 5 91.462 -16.505 28.523 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.086 -16.226 26.910 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.359 -18.529 28.107 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.380 -19.985 28.036 1.00 0.00 H new ATOM 0 HG23 ILE B 5 90.727 -18.711 29.230 1.00 0.00 H new ATOM 0 HD11 ILE B 5 89.932 -15.036 27.235 1.00 0.00 H new ATOM 0 HD12 ILE B 5 89.767 -16.294 25.986 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.133 -16.577 27.625 1.00 0.00 H new ATOM 923 N ASP B 6 92.574 -20.945 26.323 1.00 0.00 N ATOM 924 CA ASP B 6 92.523 -22.439 26.362 1.00 0.00 C ATOM 925 C ASP B 6 93.808 -22.995 26.956 1.00 0.00 C ATOM 926 O ASP B 6 93.792 -23.792 27.873 1.00 0.00 O ATOM 927 CB ASP B 6 92.372 -22.982 24.942 1.00 0.00 C ATOM 928 CG ASP B 6 92.030 -24.473 24.998 1.00 0.00 C ATOM 929 OD1 ASP B 6 92.847 -25.228 25.499 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.960 -24.833 24.537 1.00 0.00 O ATOM 0 H ASP B 6 92.497 -20.529 25.395 1.00 0.00 H new ATOM 0 HA ASP B 6 91.675 -22.741 26.976 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.588 -22.438 24.415 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.296 -22.831 24.384 1.00 0.00 H new ATOM 935 N LYS B 7 94.923 -22.585 26.439 1.00 0.00 N ATOM 936 CA LYS B 7 96.211 -23.092 26.968 1.00 0.00 C ATOM 937 C LYS B 7 96.433 -22.527 28.375 1.00 0.00 C ATOM 938 O LYS B 7 96.870 -23.214 29.273 1.00 0.00 O ATOM 939 CB LYS B 7 97.325 -22.651 26.016 1.00 0.00 C ATOM 940 CG LYS B 7 98.685 -23.140 26.502 1.00 0.00 C ATOM 941 CD LYS B 7 98.736 -24.673 26.514 1.00 0.00 C ATOM 942 CE LYS B 7 100.194 -25.134 26.488 1.00 0.00 C ATOM 943 NZ LYS B 7 100.237 -26.613 26.630 1.00 0.00 N ATOM 0 H LYS B 7 95.000 -21.919 25.671 1.00 0.00 H new ATOM 0 HA LYS B 7 96.207 -24.180 27.034 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.130 -23.041 25.017 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.332 -21.564 25.938 1.00 0.00 H new ATOM 0 HG2 LYS B 7 99.470 -22.750 25.854 1.00 0.00 H new ATOM 0 HG3 LYS B 7 98.878 -22.757 27.504 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.238 -25.057 27.404 1.00 0.00 H new ATOM 0 HD3 LYS B 7 98.202 -25.072 25.652 1.00 0.00 H new ATOM 0 HE2 LYS B 7 100.668 -24.832 25.554 1.00 0.00 H new ATOM 0 HE3 LYS B 7 100.753 -24.662 27.296 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 101.226 -26.935 26.613 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.799 -26.888 27.532 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 99.717 -27.052 25.844 1.00 0.00 H new ATOM 957 N ALA B 8 96.108 -21.277 28.569 1.00 0.00 N ATOM 958 CA ALA B 8 96.279 -20.654 29.912 1.00 0.00 C ATOM 959 C ALA B 8 95.283 -21.260 30.911 1.00 0.00 C ATOM 960 O ALA B 8 95.594 -21.436 32.070 1.00 0.00 O ATOM 961 CB ALA B 8 96.040 -19.148 29.810 1.00 0.00 C ATOM 0 H ALA B 8 95.730 -20.659 27.851 1.00 0.00 H new ATOM 0 HA ALA B 8 97.294 -20.844 30.262 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.165 -18.692 30.792 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.757 -18.712 29.114 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.027 -18.964 29.451 1.00 0.00 H new ATOM 967 N GLN B 9 94.089 -21.575 30.483 1.00 0.00 N ATOM 968 CA GLN B 9 93.096 -22.158 31.434 1.00 0.00 C ATOM 969 C GLN B 9 93.612 -23.516 31.926 1.00 0.00 C ATOM 970 O GLN B 9 94.049 -24.337 31.146 1.00 0.00 O ATOM 971 CB GLN B 9 91.759 -22.338 30.713 1.00 0.00 C ATOM 972 CG GLN B 9 90.727 -22.931 31.672 1.00 0.00 C ATOM 973 CD GLN B 9 89.379 -23.026 30.961 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.210 -22.497 29.880 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.409 -23.686 31.525 1.00 0.00 N ATOM 0 H GLN B 9 93.760 -21.456 29.525 1.00 0.00 H new ATOM 0 HA GLN B 9 92.958 -21.494 32.287 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.408 -21.378 30.335 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.886 -22.993 29.851 1.00 0.00 H new ATOM 0 HG2 GLN B 9 91.047 -23.919 32.005 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.639 -22.308 32.562 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.554 -24.129 32.432 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.504 -23.760 31.060 1.00 0.00 H new ATOM 984 N GLU B 10 93.572 -23.759 33.214 1.00 0.00 N ATOM 985 CA GLU B 10 94.072 -25.065 33.749 1.00 0.00 C ATOM 986 C GLU B 10 93.224 -25.489 34.950 1.00 0.00 C ATOM 987 O GLU B 10 92.149 -24.970 35.181 1.00 0.00 O ATOM 988 CB GLU B 10 95.531 -24.920 34.193 1.00 0.00 C ATOM 989 CG GLU B 10 96.424 -24.707 32.968 1.00 0.00 C ATOM 990 CD GLU B 10 97.887 -24.622 33.408 1.00 0.00 C ATOM 991 OE1 GLU B 10 98.149 -23.983 34.415 1.00 0.00 O ATOM 992 OE2 GLU B 10 98.721 -25.198 32.730 1.00 0.00 O ATOM 0 H GLU B 10 93.216 -23.111 33.917 1.00 0.00 H new ATOM 0 HA GLU B 10 94.002 -25.819 32.965 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.631 -24.078 34.879 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.847 -25.812 34.735 1.00 0.00 H new ATOM 0 HG2 GLU B 10 96.293 -25.528 32.263 1.00 0.00 H new ATOM 0 HG3 GLU B 10 96.136 -23.792 32.450 1.00 0.00 H new ATOM 999 N GLU B 11 93.698 -26.435 35.718 1.00 0.00 N ATOM 1000 CA GLU B 11 92.919 -26.889 36.905 1.00 0.00 C ATOM 1001 C GLU B 11 92.987 -25.810 37.987 1.00 0.00 C ATOM 1002 O GLU B 11 93.975 -25.119 38.123 1.00 0.00 O ATOM 1003 CB GLU B 11 93.509 -28.195 37.447 1.00 0.00 C ATOM 1004 CG GLU B 11 92.662 -28.683 38.627 1.00 0.00 C ATOM 1005 CD GLU B 11 93.216 -30.011 39.145 1.00 0.00 C ATOM 1006 OE1 GLU B 11 92.812 -31.040 38.629 1.00 0.00 O ATOM 1007 OE2 GLU B 11 94.029 -29.975 40.053 1.00 0.00 O ATOM 0 H GLU B 11 94.589 -26.911 35.574 1.00 0.00 H new ATOM 0 HA GLU B 11 91.882 -27.061 36.617 1.00 0.00 H new ATOM 0 HB2 GLU B 11 93.530 -28.951 36.662 1.00 0.00 H new ATOM 0 HB3 GLU B 11 94.540 -28.037 37.765 1.00 0.00 H new ATOM 0 HG2 GLU B 11 92.669 -27.939 39.424 1.00 0.00 H new ATOM 0 HG3 GLU B 11 91.625 -28.807 38.316 1.00 0.00 H new ATOM 1014 N HIS B 12 91.946 -25.659 38.759 1.00 0.00 N ATOM 1015 CA HIS B 12 91.959 -24.620 39.829 1.00 0.00 C ATOM 1016 C HIS B 12 93.003 -24.998 40.878 1.00 0.00 C ATOM 1017 O HIS B 12 92.680 -25.374 41.987 1.00 0.00 O ATOM 1018 CB HIS B 12 90.572 -24.533 40.482 1.00 0.00 C ATOM 1019 CG HIS B 12 90.612 -23.635 41.699 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.412 -22.262 41.614 1.00 0.00 N ATOM 1021 CD2 HIS B 12 90.775 -23.906 43.039 1.00 0.00 C ATOM 1022 CE1 HIS B 12 90.452 -21.765 42.870 1.00 0.00 C ATOM 1023 NE2 HIS B 12 90.673 -22.726 43.768 1.00 0.00 N ATOM 0 H HIS B 12 91.089 -26.208 38.696 1.00 0.00 H new ATOM 0 HA HIS B 12 92.209 -23.651 39.398 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.849 -24.148 39.763 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.236 -25.529 40.769 1.00 0.00 H new ATOM 0 HD1 HIS B 12 90.262 -21.727 40.759 1.00 0.00 H new ATOM 0 HD2 HIS B 12 90.954 -24.884 43.459 1.00 0.00 H new ATOM 0 HE1 HIS B 12 90.321 -20.721 43.116 1.00 0.00 H new ATOM 1031 N GLU B 13 94.260 -24.902 40.528 1.00 0.00 N ATOM 1032 CA GLU B 13 95.351 -25.249 41.488 1.00 0.00 C ATOM 1033 C GLU B 13 95.956 -23.962 42.068 1.00 0.00 C ATOM 1034 O GLU B 13 95.302 -22.942 42.169 1.00 0.00 O ATOM 1035 CB GLU B 13 96.431 -26.049 40.737 1.00 0.00 C ATOM 1036 CG GLU B 13 97.141 -27.019 41.694 1.00 0.00 C ATOM 1037 CD GLU B 13 96.244 -28.234 41.943 1.00 0.00 C ATOM 1038 OE1 GLU B 13 96.049 -29.000 41.015 1.00 0.00 O ATOM 1039 OE2 GLU B 13 95.768 -28.376 43.055 1.00 0.00 O ATOM 0 H GLU B 13 94.580 -24.595 39.609 1.00 0.00 H new ATOM 0 HA GLU B 13 94.954 -25.848 42.307 1.00 0.00 H new ATOM 0 HB2 GLU B 13 95.977 -26.605 39.917 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.157 -25.366 40.296 1.00 0.00 H new ATOM 0 HG2 GLU B 13 98.093 -27.337 41.268 1.00 0.00 H new ATOM 0 HG3 GLU B 13 97.365 -26.519 42.636 1.00 0.00 H new ATOM 1046 N LYS B 14 97.208 -24.010 42.440 1.00 0.00 N ATOM 1047 CA LYS B 14 97.875 -22.805 43.011 1.00 0.00 C ATOM 1048 C LYS B 14 98.082 -21.758 41.918 1.00 0.00 C ATOM 1049 O LYS B 14 98.128 -20.572 42.185 1.00 0.00 O ATOM 1050 CB LYS B 14 99.230 -23.197 43.596 1.00 0.00 C ATOM 1051 CG LYS B 14 99.010 -24.113 44.798 1.00 0.00 C ATOM 1052 CD LYS B 14 100.362 -24.573 45.360 1.00 0.00 C ATOM 1053 CE LYS B 14 101.085 -23.392 46.028 1.00 0.00 C ATOM 1054 NZ LYS B 14 102.112 -23.902 46.981 1.00 0.00 N ATOM 0 H LYS B 14 97.800 -24.838 42.372 1.00 0.00 H new ATOM 0 HA LYS B 14 97.244 -22.389 43.796 1.00 0.00 H new ATOM 0 HB2 LYS B 14 99.832 -23.704 42.842 1.00 0.00 H new ATOM 0 HB3 LYS B 14 99.781 -22.306 43.898 1.00 0.00 H new ATOM 0 HG2 LYS B 14 98.446 -23.587 45.568 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.416 -24.978 44.503 1.00 0.00 H new ATOM 0 HD2 LYS B 14 100.210 -25.373 46.084 1.00 0.00 H new ATOM 0 HD3 LYS B 14 100.978 -24.981 44.559 1.00 0.00 H new ATOM 0 HE2 LYS B 14 101.557 -22.767 45.270 1.00 0.00 H new ATOM 0 HE3 LYS B 14 100.366 -22.765 46.555 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 102.598 -23.100 47.430 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.651 -24.480 47.712 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 102.805 -24.482 46.467 1.00 0.00 H new ATOM 1068 N TYR B 15 98.230 -22.181 40.693 1.00 0.00 N ATOM 1069 CA TYR B 15 98.455 -21.199 39.596 1.00 0.00 C ATOM 1070 C TYR B 15 97.275 -20.229 39.507 1.00 0.00 C ATOM 1071 O TYR B 15 97.457 -19.048 39.279 1.00 0.00 O ATOM 1072 CB TYR B 15 98.640 -21.927 38.256 1.00 0.00 C ATOM 1073 CG TYR B 15 100.057 -22.444 38.150 1.00 0.00 C ATOM 1074 CD1 TYR B 15 100.414 -23.663 38.741 1.00 0.00 C ATOM 1075 CD2 TYR B 15 101.016 -21.690 37.465 1.00 0.00 C ATOM 1076 CE1 TYR B 15 101.734 -24.129 38.645 1.00 0.00 C ATOM 1077 CE2 TYR B 15 102.331 -22.153 37.367 1.00 0.00 C ATOM 1078 CZ TYR B 15 102.694 -23.372 37.957 1.00 0.00 C ATOM 1079 OH TYR B 15 103.997 -23.824 37.855 1.00 0.00 O ATOM 0 H TYR B 15 98.205 -23.159 40.405 1.00 0.00 H new ATOM 0 HA TYR B 15 99.361 -20.635 39.815 1.00 0.00 H new ATOM 0 HB2 TYR B 15 97.934 -22.754 38.180 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.427 -21.249 37.430 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.673 -24.244 39.270 1.00 0.00 H new ATOM 0 HD2 TYR B 15 100.740 -20.749 37.012 1.00 0.00 H new ATOM 0 HE1 TYR B 15 102.010 -25.069 39.100 1.00 0.00 H new ATOM 0 HE2 TYR B 15 103.069 -21.571 36.836 1.00 0.00 H new ATOM 0 HH TYR B 15 104.528 -23.178 37.345 1.00 0.00 H new ATOM 1089 N HIS B 16 96.072 -20.697 39.678 1.00 0.00 N ATOM 1090 CA HIS B 16 94.916 -19.766 39.587 1.00 0.00 C ATOM 1091 C HIS B 16 95.078 -18.677 40.652 1.00 0.00 C ATOM 1092 O HIS B 16 94.805 -17.519 40.410 1.00 0.00 O ATOM 1093 CB HIS B 16 93.599 -20.530 39.824 1.00 0.00 C ATOM 1094 CG HIS B 16 93.151 -21.222 38.559 1.00 0.00 C ATOM 1095 ND1 HIS B 16 91.824 -21.582 38.346 1.00 0.00 N ATOM 1096 CD2 HIS B 16 93.830 -21.621 37.434 1.00 0.00 C ATOM 1097 CE1 HIS B 16 91.750 -22.170 37.132 1.00 0.00 C ATOM 1098 NE2 HIS B 16 92.942 -22.216 36.539 1.00 0.00 N ATOM 0 H HIS B 16 95.841 -21.671 39.874 1.00 0.00 H new ATOM 0 HA HIS B 16 94.885 -19.318 38.594 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.736 -21.264 40.618 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.826 -19.838 40.160 1.00 0.00 H new ATOM 0 HD1 HIS B 16 91.048 -21.430 38.990 1.00 0.00 H new ATOM 0 HD2 HIS B 16 94.890 -21.493 37.268 1.00 0.00 H new ATOM 0 HE1 HIS B 16 90.839 -22.554 36.697 1.00 0.00 H new ATOM 1106 N SER B 17 95.523 -19.030 41.824 1.00 0.00 N ATOM 1107 CA SER B 17 95.702 -17.999 42.881 1.00 0.00 C ATOM 1108 C SER B 17 96.732 -16.968 42.409 1.00 0.00 C ATOM 1109 O SER B 17 96.559 -15.780 42.586 1.00 0.00 O ATOM 1110 CB SER B 17 96.200 -18.669 44.159 1.00 0.00 C ATOM 1111 OG SER B 17 97.546 -19.080 43.971 1.00 0.00 O ATOM 0 H SER B 17 95.769 -19.982 42.095 1.00 0.00 H new ATOM 0 HA SER B 17 94.752 -17.502 43.077 1.00 0.00 H new ATOM 0 HB2 SER B 17 96.131 -17.977 44.998 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.575 -19.528 44.402 1.00 0.00 H new ATOM 0 HG SER B 17 97.564 -19.926 43.477 1.00 0.00 H new ATOM 1117 N ASN B 18 97.806 -17.411 41.806 1.00 0.00 N ATOM 1118 CA ASN B 18 98.847 -16.455 41.317 1.00 0.00 C ATOM 1119 C ASN B 18 98.603 -16.138 39.837 1.00 0.00 C ATOM 1120 O ASN B 18 99.177 -16.752 38.958 1.00 0.00 O ATOM 1121 CB ASN B 18 100.228 -17.086 41.489 1.00 0.00 C ATOM 1122 CG ASN B 18 100.462 -17.391 42.972 1.00 0.00 C ATOM 1123 OD1 ASN B 18 100.793 -18.503 43.332 1.00 0.00 O ATOM 1124 ND2 ASN B 18 100.294 -16.444 43.854 1.00 0.00 N ATOM 0 H ASN B 18 98.008 -18.395 41.631 1.00 0.00 H new ATOM 0 HA ASN B 18 98.794 -15.531 41.892 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.298 -18.002 40.902 1.00 0.00 H new ATOM 0 HB3 ASN B 18 100.999 -16.410 41.119 1.00 0.00 H new ATOM 0 HD21 ASN B 18 100.441 -16.638 44.845 1.00 0.00 H new ATOM 0 HD22 ASN B 18 100.016 -15.510 43.553 1.00 0.00 H new ATOM 1131 N TRP B 19 97.761 -15.181 39.556 1.00 0.00 N ATOM 1132 CA TRP B 19 97.476 -14.822 38.135 1.00 0.00 C ATOM 1133 C TRP B 19 98.699 -14.145 37.503 1.00 0.00 C ATOM 1134 O TRP B 19 98.890 -14.193 36.306 1.00 0.00 O ATOM 1135 CB TRP B 19 96.265 -13.885 38.064 1.00 0.00 C ATOM 1136 CG TRP B 19 96.606 -12.567 38.680 1.00 0.00 C ATOM 1137 CD1 TRP B 19 96.294 -12.199 39.943 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.315 -11.437 38.087 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.766 -10.917 40.166 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.402 -10.405 39.050 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.886 -11.212 36.820 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 98.033 -9.191 38.765 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.522 -9.993 36.530 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.595 -8.983 37.499 1.00 0.00 C ATOM 0 H TRP B 19 97.256 -14.630 40.250 1.00 0.00 H new ATOM 0 HA TRP B 19 97.254 -15.734 37.581 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.963 -13.744 37.026 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.418 -14.331 38.584 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.763 -12.806 40.661 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.658 -10.412 41.046 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.835 -11.982 36.065 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 98.087 -8.417 39.517 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.957 -9.833 35.555 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.083 -8.047 37.270 1.00 0.00 H new ATOM 1155 N ARG B 20 99.522 -13.500 38.288 1.00 0.00 N ATOM 1156 CA ARG B 20 100.719 -12.816 37.707 1.00 0.00 C ATOM 1157 C ARG B 20 101.598 -13.850 37.009 1.00 0.00 C ATOM 1158 O ARG B 20 102.141 -13.607 35.954 1.00 0.00 O ATOM 1159 CB ARG B 20 101.526 -12.147 38.822 1.00 0.00 C ATOM 1160 CG ARG B 20 100.736 -10.970 39.388 1.00 0.00 C ATOM 1161 CD ARG B 20 101.536 -10.291 40.502 1.00 0.00 C ATOM 1162 NE ARG B 20 100.735 -9.169 41.064 1.00 0.00 N ATOM 1163 CZ ARG B 20 101.050 -8.638 42.216 1.00 0.00 C ATOM 1164 NH1 ARG B 20 102.091 -9.064 42.880 1.00 0.00 N ATOM 1165 NH2 ARG B 20 100.318 -7.673 42.699 1.00 0.00 N ATOM 0 H ARG B 20 99.420 -13.416 39.299 1.00 0.00 H new ATOM 0 HA ARG B 20 100.391 -12.061 36.993 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.741 -12.867 39.611 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.485 -11.802 38.435 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.518 -10.253 38.596 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.778 -11.317 39.776 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.776 -11.011 41.285 1.00 0.00 H new ATOM 0 HD3 ARG B 20 102.483 -9.918 40.111 1.00 0.00 H new ATOM 0 HE ARG B 20 99.933 -8.811 40.545 1.00 0.00 H new ATOM 0 HH11 ARG B 20 102.665 -9.817 42.500 1.00 0.00 H new ATOM 0 HH12 ARG B 20 102.330 -8.644 43.778 1.00 0.00 H new ATOM 0 HH21 ARG B 20 99.507 -7.338 42.179 1.00 0.00 H new ATOM 0 HH22 ARG B 20 100.556 -7.253 43.597 1.00 0.00 H new ATOM 1179 N ALA B 21 101.749 -15.000 37.592 1.00 0.00 N ATOM 1180 CA ALA B 21 102.595 -16.043 36.958 1.00 0.00 C ATOM 1181 C ALA B 21 102.024 -16.385 35.581 1.00 0.00 C ATOM 1182 O ALA B 21 102.753 -16.583 34.630 1.00 0.00 O ATOM 1183 CB ALA B 21 102.586 -17.298 37.834 1.00 0.00 C ATOM 0 H ALA B 21 101.324 -15.264 38.481 1.00 0.00 H new ATOM 0 HA ALA B 21 103.616 -15.676 36.852 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.206 -18.068 37.374 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.981 -17.056 38.821 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.565 -17.666 37.933 1.00 0.00 H new ATOM 1189 N MET B 22 100.729 -16.462 35.470 1.00 0.00 N ATOM 1190 CA MET B 22 100.106 -16.806 34.160 1.00 0.00 C ATOM 1191 C MET B 22 100.494 -15.761 33.120 1.00 0.00 C ATOM 1192 O MET B 22 100.927 -16.079 32.030 1.00 0.00 O ATOM 1193 CB MET B 22 98.583 -16.807 34.312 1.00 0.00 C ATOM 1194 CG MET B 22 97.936 -17.401 33.057 1.00 0.00 C ATOM 1195 SD MET B 22 96.159 -17.058 33.068 1.00 0.00 S ATOM 1196 CE MET B 22 95.790 -17.846 34.651 1.00 0.00 C ATOM 0 H MET B 22 100.071 -16.301 36.232 1.00 0.00 H new ATOM 0 HA MET B 22 100.453 -17.789 33.842 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.296 -17.387 35.189 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.224 -15.790 34.471 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.393 -16.975 32.164 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.109 -18.477 33.021 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.754 -18.184 34.656 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.451 -18.700 34.795 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.942 -17.129 35.458 1.00 0.00 H new ATOM 1206 N ALA B 23 100.330 -14.515 33.446 1.00 0.00 N ATOM 1207 CA ALA B 23 100.681 -13.440 32.480 1.00 0.00 C ATOM 1208 C ALA B 23 102.171 -13.532 32.127 1.00 0.00 C ATOM 1209 O ALA B 23 102.554 -13.438 30.979 1.00 0.00 O ATOM 1210 CB ALA B 23 100.372 -12.086 33.118 1.00 0.00 C ATOM 0 H ALA B 23 99.967 -14.191 34.342 1.00 0.00 H new ATOM 0 HA ALA B 23 100.098 -13.553 31.566 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.625 -11.288 32.419 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.311 -12.032 33.361 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.959 -11.970 34.029 1.00 0.00 H new ATOM 1216 N SER B 24 103.009 -13.721 33.109 1.00 0.00 N ATOM 1217 CA SER B 24 104.474 -13.826 32.837 1.00 0.00 C ATOM 1218 C SER B 24 104.760 -15.067 31.987 1.00 0.00 C ATOM 1219 O SER B 24 105.600 -15.053 31.105 1.00 0.00 O ATOM 1220 CB SER B 24 105.225 -13.950 34.162 1.00 0.00 C ATOM 1221 OG SER B 24 105.145 -12.720 34.867 1.00 0.00 O ATOM 0 H SER B 24 102.744 -13.808 34.090 1.00 0.00 H new ATOM 0 HA SER B 24 104.802 -12.935 32.301 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.797 -14.754 34.761 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.268 -14.210 33.979 1.00 0.00 H new ATOM 0 HG SER B 24 105.625 -12.799 35.718 1.00 0.00 H new ATOM 1227 N ASP B 25 104.092 -16.149 32.279 1.00 0.00 N ATOM 1228 CA ASP B 25 104.322 -17.418 31.528 1.00 0.00 C ATOM 1229 C ASP B 25 103.960 -17.244 30.051 1.00 0.00 C ATOM 1230 O ASP B 25 104.632 -17.752 29.174 1.00 0.00 O ATOM 1231 CB ASP B 25 103.453 -18.520 32.139 1.00 0.00 C ATOM 1232 CG ASP B 25 103.677 -19.840 31.397 1.00 0.00 C ATOM 1233 OD1 ASP B 25 104.237 -19.807 30.311 1.00 0.00 O ATOM 1234 OD2 ASP B 25 103.288 -20.868 31.927 1.00 0.00 O ATOM 0 H ASP B 25 103.388 -16.209 33.015 1.00 0.00 H new ATOM 0 HA ASP B 25 105.376 -17.686 31.597 1.00 0.00 H new ATOM 0 HB2 ASP B 25 103.696 -18.642 33.195 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.402 -18.237 32.084 1.00 0.00 H new ATOM 1239 N PHE B 26 102.887 -16.552 29.772 1.00 0.00 N ATOM 1240 CA PHE B 26 102.454 -16.355 28.354 1.00 0.00 C ATOM 1241 C PHE B 26 102.775 -14.930 27.907 1.00 0.00 C ATOM 1242 O PHE B 26 102.474 -14.541 26.796 1.00 0.00 O ATOM 1243 CB PHE B 26 100.953 -16.608 28.260 1.00 0.00 C ATOM 1244 CG PHE B 26 100.683 -18.064 28.557 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.965 -19.044 27.595 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.151 -18.437 29.798 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.714 -20.394 27.874 1.00 0.00 C ATOM 1248 CE2 PHE B 26 99.899 -19.785 30.077 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.180 -20.764 29.115 1.00 0.00 C ATOM 0 H PHE B 26 102.287 -16.111 30.469 1.00 0.00 H new ATOM 0 HA PHE B 26 102.985 -17.051 27.704 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.419 -15.974 28.967 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.589 -16.352 27.265 1.00 0.00 H new ATOM 0 HD1 PHE B 26 101.376 -18.758 26.638 1.00 0.00 H new ATOM 0 HD2 PHE B 26 99.935 -17.683 30.541 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.932 -21.149 27.133 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.488 -20.071 31.034 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.985 -21.804 29.330 1.00 0.00 H new ATOM 1259 N ASN B 27 103.394 -14.155 28.756 1.00 0.00 N ATOM 1260 CA ASN B 27 103.759 -12.761 28.374 1.00 0.00 C ATOM 1261 C ASN B 27 102.517 -11.993 27.906 1.00 0.00 C ATOM 1262 O ASN B 27 102.560 -11.261 26.938 1.00 0.00 O ATOM 1263 CB ASN B 27 104.805 -12.801 27.253 1.00 0.00 C ATOM 1264 CG ASN B 27 106.095 -13.436 27.783 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.597 -14.384 27.212 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.655 -12.947 28.854 1.00 0.00 N ATOM 0 H ASN B 27 103.663 -14.429 29.701 1.00 0.00 H new ATOM 0 HA ASN B 27 104.174 -12.249 29.242 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.426 -13.374 26.407 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.005 -11.792 26.891 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.515 -13.360 29.214 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.233 -12.151 29.332 1.00 0.00 H new ATOM 1273 N LEU B 28 101.413 -12.148 28.599 1.00 0.00 N ATOM 1274 CA LEU B 28 100.154 -11.425 28.221 1.00 0.00 C ATOM 1275 C LEU B 28 99.845 -10.403 29.320 1.00 0.00 C ATOM 1276 O LEU B 28 100.191 -10.607 30.466 1.00 0.00 O ATOM 1277 CB LEU B 28 98.988 -12.427 28.130 1.00 0.00 C ATOM 1278 CG LEU B 28 99.188 -13.377 26.938 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.236 -14.576 27.064 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.906 -12.639 25.615 1.00 0.00 C ATOM 0 H LEU B 28 101.329 -12.750 29.418 1.00 0.00 H new ATOM 0 HA LEU B 28 100.281 -10.932 27.257 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.921 -13.002 29.054 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.046 -11.889 28.020 1.00 0.00 H new ATOM 0 HG LEU B 28 100.220 -13.727 26.939 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.381 -15.247 26.217 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.445 -15.111 27.990 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.205 -14.222 27.074 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.051 -13.323 24.779 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.878 -12.276 25.613 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.589 -11.795 25.516 1.00 0.00 H new ATOM 1292 N PRO B 29 99.198 -9.309 28.991 1.00 0.00 N ATOM 1293 CA PRO B 29 98.855 -8.268 29.999 1.00 0.00 C ATOM 1294 C PRO B 29 97.835 -8.798 31.024 1.00 0.00 C ATOM 1295 O PRO B 29 96.997 -9.612 30.692 1.00 0.00 O ATOM 1296 CB PRO B 29 98.251 -7.126 29.163 1.00 0.00 C ATOM 1297 CG PRO B 29 97.764 -7.783 27.911 1.00 0.00 C ATOM 1298 CD PRO B 29 98.727 -8.936 27.642 1.00 0.00 C ATOM 0 HA PRO B 29 99.721 -7.952 30.581 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.436 -6.635 29.695 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.995 -6.360 28.944 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.744 -8.147 28.032 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.755 -7.079 27.079 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.228 -9.769 27.146 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.552 -8.629 26.999 1.00 0.00 H new ATOM 1306 N PRO B 30 97.893 -8.343 32.256 1.00 0.00 N ATOM 1307 CA PRO B 30 96.942 -8.789 33.316 1.00 0.00 C ATOM 1308 C PRO B 30 95.497 -8.914 32.801 1.00 0.00 C ATOM 1309 O PRO B 30 94.668 -9.573 33.401 1.00 0.00 O ATOM 1310 CB PRO B 30 97.037 -7.673 34.367 1.00 0.00 C ATOM 1311 CG PRO B 30 98.421 -7.108 34.229 1.00 0.00 C ATOM 1312 CD PRO B 30 98.866 -7.361 32.779 1.00 0.00 C ATOM 0 HA PRO B 30 97.194 -9.780 33.694 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.281 -6.907 34.195 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.871 -8.064 35.371 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.427 -6.041 34.454 1.00 0.00 H new ATOM 0 HG3 PRO B 30 99.104 -7.585 34.931 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.854 -6.441 32.194 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.883 -7.751 32.739 1.00 0.00 H new ATOM 1320 N VAL B 31 95.182 -8.262 31.715 1.00 0.00 N ATOM 1321 CA VAL B 31 93.783 -8.318 31.194 1.00 0.00 C ATOM 1322 C VAL B 31 93.388 -9.762 30.884 1.00 0.00 C ATOM 1323 O VAL B 31 92.360 -10.234 31.323 1.00 0.00 O ATOM 1324 CB VAL B 31 93.698 -7.474 29.910 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.319 -7.623 29.248 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.932 -6.003 30.249 1.00 0.00 C ATOM 0 H VAL B 31 95.829 -7.695 31.167 1.00 0.00 H new ATOM 0 HA VAL B 31 93.101 -7.925 31.948 1.00 0.00 H new ATOM 0 HB VAL B 31 94.462 -7.826 29.216 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.283 -7.017 28.342 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.149 -8.669 28.992 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.545 -7.289 29.939 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.872 -5.406 29.339 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.172 -5.667 30.955 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.919 -5.885 30.696 1.00 0.00 H new ATOM 1336 N VAL B 32 94.179 -10.472 30.136 1.00 0.00 N ATOM 1337 CA VAL B 32 93.804 -11.879 29.818 1.00 0.00 C ATOM 1338 C VAL B 32 93.866 -12.716 31.095 1.00 0.00 C ATOM 1339 O VAL B 32 93.011 -13.537 31.355 1.00 0.00 O ATOM 1340 CB VAL B 32 94.762 -12.452 28.768 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.531 -13.963 28.629 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.500 -11.761 27.425 1.00 0.00 C ATOM 0 H VAL B 32 95.059 -10.148 29.734 1.00 0.00 H new ATOM 0 HA VAL B 32 92.791 -11.904 29.416 1.00 0.00 H new ATOM 0 HB VAL B 32 95.793 -12.278 29.075 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.213 -14.368 27.882 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.713 -14.449 29.588 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.502 -14.147 28.319 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.177 -12.162 26.671 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.469 -11.940 27.119 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.667 -10.689 27.529 1.00 0.00 H new ATOM 1352 N ALA B 33 94.875 -12.512 31.892 1.00 0.00 N ATOM 1353 CA ALA B 33 94.998 -13.291 33.153 1.00 0.00 C ATOM 1354 C ALA B 33 93.824 -12.968 34.081 1.00 0.00 C ATOM 1355 O ALA B 33 93.178 -13.854 34.601 1.00 0.00 O ATOM 1356 CB ALA B 33 96.322 -12.948 33.839 1.00 0.00 C ATOM 0 H ALA B 33 95.622 -11.838 31.724 1.00 0.00 H new ATOM 0 HA ALA B 33 94.980 -14.356 32.923 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.412 -13.519 34.763 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.151 -13.198 33.176 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.348 -11.882 34.067 1.00 0.00 H new ATOM 1362 N LYS B 34 93.531 -11.709 34.287 1.00 0.00 N ATOM 1363 CA LYS B 34 92.387 -11.357 35.174 1.00 0.00 C ATOM 1364 C LYS B 34 91.083 -11.871 34.566 1.00 0.00 C ATOM 1365 O LYS B 34 90.213 -12.354 35.264 1.00 0.00 O ATOM 1366 CB LYS B 34 92.323 -9.839 35.375 1.00 0.00 C ATOM 1367 CG LYS B 34 93.459 -9.414 36.311 1.00 0.00 C ATOM 1368 CD LYS B 34 93.420 -7.901 36.539 1.00 0.00 C ATOM 1369 CE LYS B 34 94.550 -7.503 37.498 1.00 0.00 C ATOM 1370 NZ LYS B 34 94.159 -7.851 38.894 1.00 0.00 N ATOM 0 H LYS B 34 94.031 -10.917 33.882 1.00 0.00 H new ATOM 0 HA LYS B 34 92.531 -11.828 36.146 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.413 -9.328 34.417 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.360 -9.555 35.798 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.368 -9.935 37.264 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.419 -9.700 35.882 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.531 -7.376 35.590 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.455 -7.609 36.954 1.00 0.00 H new ATOM 0 HE2 LYS B 34 95.471 -8.019 37.227 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.749 -6.434 37.420 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.859 -7.462 39.558 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 93.223 -7.449 39.103 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 94.122 -8.885 38.997 1.00 0.00 H new ATOM 1384 N GLU B 35 90.931 -11.773 33.275 1.00 0.00 N ATOM 1385 CA GLU B 35 89.671 -12.260 32.650 1.00 0.00 C ATOM 1386 C GLU B 35 89.509 -13.758 32.916 1.00 0.00 C ATOM 1387 O GLU B 35 88.430 -14.233 33.203 1.00 0.00 O ATOM 1388 CB GLU B 35 89.714 -12.017 31.138 1.00 0.00 C ATOM 1389 CG GLU B 35 88.298 -12.140 30.555 1.00 0.00 C ATOM 1390 CD GLU B 35 87.880 -13.612 30.533 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.655 -14.418 30.045 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.794 -13.909 31.008 1.00 0.00 O ATOM 0 H GLU B 35 91.618 -11.381 32.631 1.00 0.00 H new ATOM 0 HA GLU B 35 88.828 -11.719 33.081 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.119 -11.027 30.930 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.378 -12.739 30.662 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.595 -11.561 31.154 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.272 -11.729 29.546 1.00 0.00 H new ATOM 1399 N ILE B 36 90.573 -14.506 32.827 1.00 0.00 N ATOM 1400 CA ILE B 36 90.465 -15.968 33.078 1.00 0.00 C ATOM 1401 C ILE B 36 90.045 -16.186 34.536 1.00 0.00 C ATOM 1402 O ILE B 36 89.234 -17.035 34.846 1.00 0.00 O ATOM 1403 CB ILE B 36 91.815 -16.626 32.802 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.107 -16.582 31.293 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.779 -18.080 33.267 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.596 -16.842 31.053 1.00 0.00 C ATOM 0 H ILE B 36 91.507 -14.170 32.593 1.00 0.00 H new ATOM 0 HA ILE B 36 89.719 -16.416 32.421 1.00 0.00 H new ATOM 0 HB ILE B 36 92.596 -16.090 33.342 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.508 -17.330 30.774 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.826 -15.611 30.886 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.743 -18.549 33.070 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.571 -18.115 34.336 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.998 -18.615 32.727 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.803 -16.811 29.983 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.185 -16.077 31.559 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.862 -17.823 31.446 1.00 0.00 H new ATOM 1418 N VAL B 37 90.595 -15.413 35.430 1.00 0.00 N ATOM 1419 CA VAL B 37 90.239 -15.541 36.871 1.00 0.00 C ATOM 1420 C VAL B 37 88.741 -15.278 37.050 1.00 0.00 C ATOM 1421 O VAL B 37 88.076 -15.926 37.832 1.00 0.00 O ATOM 1422 CB VAL B 37 91.040 -14.511 37.669 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.533 -14.460 39.111 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.518 -14.900 37.656 1.00 0.00 C ATOM 0 H VAL B 37 91.284 -14.690 35.222 1.00 0.00 H new ATOM 0 HA VAL B 37 90.471 -16.545 37.225 1.00 0.00 H new ATOM 0 HB VAL B 37 90.917 -13.528 37.215 1.00 0.00 H new ATOM 0 HG11 VAL B 37 91.108 -13.724 39.673 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.480 -14.179 39.117 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.649 -15.441 39.572 1.00 0.00 H new ATOM 0 HG21 VAL B 37 93.092 -14.168 38.224 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.639 -15.885 38.107 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.879 -14.925 36.628 1.00 0.00 H new ATOM 1434 N ALA B 38 88.208 -14.327 36.335 1.00 0.00 N ATOM 1435 CA ALA B 38 86.756 -14.017 36.476 1.00 0.00 C ATOM 1436 C ALA B 38 85.929 -15.180 35.925 1.00 0.00 C ATOM 1437 O ALA B 38 84.822 -15.425 36.360 1.00 0.00 O ATOM 1438 CB ALA B 38 86.410 -12.745 35.706 1.00 0.00 C ATOM 0 H ALA B 38 88.713 -13.752 35.661 1.00 0.00 H new ATOM 0 HA ALA B 38 86.529 -13.869 37.532 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.347 -12.530 35.817 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.992 -11.912 36.100 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.644 -12.884 34.650 1.00 0.00 H new ATOM 1444 N SER B 39 86.451 -15.886 34.966 1.00 0.00 N ATOM 1445 CA SER B 39 85.684 -17.020 34.379 1.00 0.00 C ATOM 1446 C SER B 39 85.596 -18.165 35.386 1.00 0.00 C ATOM 1447 O SER B 39 84.585 -18.832 35.490 1.00 0.00 O ATOM 1448 CB SER B 39 86.400 -17.526 33.128 1.00 0.00 C ATOM 1449 OG SER B 39 86.492 -16.477 32.176 1.00 0.00 O ATOM 0 H SER B 39 87.374 -15.729 34.562 1.00 0.00 H new ATOM 0 HA SER B 39 84.682 -16.674 34.125 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.396 -17.885 33.387 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.858 -18.370 32.703 1.00 0.00 H new ATOM 0 HG SER B 39 87.111 -15.791 32.504 1.00 0.00 H new ATOM 1455 N CYS B 40 86.639 -18.406 36.130 1.00 0.00 N ATOM 1456 CA CYS B 40 86.589 -19.521 37.117 1.00 0.00 C ATOM 1457 C CYS B 40 85.684 -19.118 38.289 1.00 0.00 C ATOM 1458 O CYS B 40 86.007 -18.237 39.063 1.00 0.00 O ATOM 1459 CB CYS B 40 88.001 -19.812 37.621 1.00 0.00 C ATOM 1460 SG CYS B 40 87.926 -20.993 38.996 1.00 0.00 S ATOM 0 H CYS B 40 87.516 -17.885 36.099 1.00 0.00 H new ATOM 0 HA CYS B 40 86.186 -20.418 36.646 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.610 -20.218 36.813 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.479 -18.888 37.947 1.00 0.00 H new ATOM 0 HG CYS B 40 88.629 -20.543 39.993 1.00 0.00 H new ATOM 1465 N ASP B 41 84.546 -19.750 38.413 1.00 0.00 N ATOM 1466 CA ASP B 41 83.605 -19.394 39.518 1.00 0.00 C ATOM 1467 C ASP B 41 84.271 -19.610 40.883 1.00 0.00 C ATOM 1468 O ASP B 41 84.089 -18.832 41.797 1.00 0.00 O ATOM 1469 CB ASP B 41 82.356 -20.276 39.424 1.00 0.00 C ATOM 1470 CG ASP B 41 81.512 -19.860 38.215 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.859 -18.879 37.581 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.526 -20.531 37.947 1.00 0.00 O ATOM 0 H ASP B 41 84.227 -20.498 37.797 1.00 0.00 H new ATOM 0 HA ASP B 41 83.332 -18.343 39.420 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.646 -21.323 39.333 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.768 -20.186 40.337 1.00 0.00 H new ATOM 1477 N LYS B 42 85.018 -20.666 41.042 1.00 0.00 N ATOM 1478 CA LYS B 42 85.676 -20.927 42.358 1.00 0.00 C ATOM 1479 C LYS B 42 86.601 -19.758 42.719 1.00 0.00 C ATOM 1480 O LYS B 42 86.675 -19.339 43.855 1.00 0.00 O ATOM 1481 CB LYS B 42 86.494 -22.222 42.273 1.00 0.00 C ATOM 1482 CG LYS B 42 85.557 -23.433 42.164 1.00 0.00 C ATOM 1483 CD LYS B 42 86.369 -24.693 41.827 1.00 0.00 C ATOM 1484 CE LYS B 42 87.332 -25.015 42.977 1.00 0.00 C ATOM 1485 NZ LYS B 42 87.769 -26.438 42.886 1.00 0.00 N ATOM 0 H LYS B 42 85.203 -21.361 40.319 1.00 0.00 H new ATOM 0 HA LYS B 42 84.911 -21.029 43.128 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.157 -22.186 41.408 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.126 -22.320 43.155 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.021 -23.575 43.103 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.807 -23.256 41.393 1.00 0.00 H new ATOM 0 HD2 LYS B 42 85.697 -25.535 41.657 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.929 -24.540 40.904 1.00 0.00 H new ATOM 0 HE2 LYS B 42 88.199 -24.355 42.933 1.00 0.00 H new ATOM 0 HE3 LYS B 42 86.843 -24.836 43.934 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 88.421 -26.651 43.667 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 86.938 -27.061 42.948 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 88.252 -26.595 41.979 1.00 0.00 H new ATOM 1499 N CYS B 43 87.312 -19.232 41.756 1.00 0.00 N ATOM 1500 CA CYS B 43 88.236 -18.096 42.044 1.00 0.00 C ATOM 1501 C CYS B 43 87.445 -16.784 42.156 1.00 0.00 C ATOM 1502 O CYS B 43 87.928 -15.807 42.694 1.00 0.00 O ATOM 1503 CB CYS B 43 89.243 -17.947 40.903 1.00 0.00 C ATOM 1504 SG CYS B 43 90.299 -19.410 40.813 1.00 0.00 S ATOM 0 H CYS B 43 87.293 -19.540 40.784 1.00 0.00 H new ATOM 0 HA CYS B 43 88.751 -18.302 42.982 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.717 -17.810 39.958 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.853 -17.057 41.060 1.00 0.00 H new ATOM 0 HG CYS B 43 90.824 -19.494 39.627 1.00 0.00 H new ATOM 1509 N GLN B 44 86.253 -16.739 41.617 1.00 0.00 N ATOM 1510 CA GLN B 44 85.459 -15.469 41.660 1.00 0.00 C ATOM 1511 C GLN B 44 84.844 -15.261 43.047 1.00 0.00 C ATOM 1512 O GLN B 44 85.227 -14.366 43.777 1.00 0.00 O ATOM 1513 CB GLN B 44 84.342 -15.531 40.611 1.00 0.00 C ATOM 1514 CG GLN B 44 83.612 -14.186 40.553 1.00 0.00 C ATOM 1515 CD GLN B 44 82.632 -14.182 39.377 1.00 0.00 C ATOM 1516 OE1 GLN B 44 81.446 -14.003 39.559 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.083 -14.377 38.166 1.00 0.00 N ATOM 0 H GLN B 44 85.795 -17.522 41.150 1.00 0.00 H new ATOM 0 HA GLN B 44 86.125 -14.634 41.446 1.00 0.00 H new ATOM 0 HB2 GLN B 44 84.761 -15.771 39.634 1.00 0.00 H new ATOM 0 HB3 GLN B 44 83.640 -16.326 40.860 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.076 -14.011 41.486 1.00 0.00 H new ATOM 0 HG3 GLN B 44 84.332 -13.375 40.442 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.080 -14.528 38.011 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.438 -14.379 37.376 1.00 0.00 H new