USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 680 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 GLN : amide:sc= -0.157 X(o=-0.24,f=-0.49) USER MOD Set 1.2: B 44 GLN : amide:sc= -0.0876 X(o=-0.24,f=-0.49) USER MOD Set 2.1: B 12 CYS SG : rot 170:sc= 0 USER MOD Set 2.2: B 40 CYS SG : rot 180:sc= 0 USER MOD Set 2.3: B 43 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 12 CYS SG : rot 160:sc= 0 USER MOD Set 3.2: A 40 CYS SG : rot 180:sc= 0 USER MOD Set 3.3: A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 PHE N :NH3+ 137:sc= 0.923 (180deg=0.306) USER MOD Single : A 7 LYS NZ :NH3+ -123:sc= 0.0592 (180deg=-1.8!) USER MOD Single : A 9 GLN : amide:sc= -0.0015 K(o=-0.0015,f=-1.1) USER MOD Single : A 14 LYS NZ :NH3+ -125:sc= -1.16 (180deg=-3.63!) USER MOD Single : A 15 TYR OH : rot -68:sc= 0.783 USER MOD Single : A 16 HIS : no HD1:sc= -0.0448 K(o=-0.045,f=-0.63) USER MOD Single : A 17 SER OG : rot 1:sc= 1.11 USER MOD Single : A 18 ASN : amide:sc=-0.00376 K(o=-0.0038,f=-1.7!) USER MOD Single : A 22 MET CE :methyl 161:sc= -0.123 (180deg=-1.37) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.428 X(o=-0.43,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 112:sc= 0.00104 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 PHE N :NH3+ 141:sc= 0.946 (180deg=0.367) USER MOD Single : B 7 LYS NZ :NH3+ -124:sc= -0.11 (180deg=-1.87!) USER MOD Single : B 9 GLN : amide:sc= -0.0074 K(o=-0.0074,f=-1) USER MOD Single : B 14 LYS NZ :NH3+ -127:sc= -1.23 (180deg=-3.65!) USER MOD Single : B 15 TYR OH : rot -80:sc= 0.737 USER MOD Single : B 16 HIS : no HD1:sc= -0.0421 K(o=-0.042,f=-0.6) USER MOD Single : B 17 SER OG : rot 2:sc= 0.941 USER MOD Single : B 18 ASN : amide:sc= -0.0153 K(o=-0.015,f=-1.7!) USER MOD Single : B 22 MET CE :methyl 162:sc= -0.147 (180deg=-1.43) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.457 -4.938 23.830 1.00 0.00 N ATOM 2 CA PHE A 1 95.192 -4.278 25.140 1.00 0.00 C ATOM 3 C PHE A 1 95.402 -2.774 24.989 1.00 0.00 C ATOM 4 O PHE A 1 96.514 -2.297 24.886 1.00 0.00 O ATOM 5 CB PHE A 1 96.150 -4.837 26.190 1.00 0.00 C ATOM 6 CG PHE A 1 96.210 -6.344 26.057 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.099 -7.122 26.403 1.00 0.00 C ATOM 8 CD2 PHE A 1 97.375 -6.962 25.583 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.152 -8.516 26.278 1.00 0.00 C ATOM 10 CE2 PHE A 1 97.428 -8.356 25.459 1.00 0.00 C ATOM 11 CZ PHE A 1 96.317 -9.133 25.807 1.00 0.00 C ATOM 0 H1 PHE A 1 96.014 -5.803 23.983 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.554 -5.184 23.376 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.988 -4.289 23.215 1.00 0.00 H new ATOM 0 HA PHE A 1 94.167 -4.470 25.456 1.00 0.00 H new ATOM 0 HB2 PHE A 1 97.143 -4.408 26.058 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.814 -4.561 27.190 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.200 -6.647 26.767 1.00 0.00 H new ATOM 0 HD2 PHE A 1 98.232 -6.363 25.313 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.294 -9.115 26.545 1.00 0.00 H new ATOM 0 HE2 PHE A 1 98.327 -8.832 25.095 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.359 -10.208 25.712 1.00 0.00 H new ATOM 23 N LEU A 2 94.329 -2.025 24.951 1.00 0.00 N ATOM 24 CA LEU A 2 94.440 -0.544 24.776 1.00 0.00 C ATOM 25 C LEU A 2 94.267 0.183 26.102 1.00 0.00 C ATOM 26 O LEU A 2 93.425 -0.151 26.903 1.00 0.00 O ATOM 27 CB LEU A 2 93.360 -0.066 23.804 1.00 0.00 C ATOM 28 CG LEU A 2 93.434 -0.871 22.504 1.00 0.00 C ATOM 29 CD1 LEU A 2 92.366 -0.357 21.534 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.825 -0.721 21.868 1.00 0.00 C ATOM 0 H LEU A 2 93.375 -2.377 25.034 1.00 0.00 H new ATOM 0 HA LEU A 2 95.433 -0.322 24.384 1.00 0.00 H new ATOM 0 HB2 LEU A 2 92.375 -0.180 24.257 1.00 0.00 H new ATOM 0 HB3 LEU A 2 93.493 0.995 23.593 1.00 0.00 H new ATOM 0 HG LEU A 2 93.259 -1.925 22.721 1.00 0.00 H new ATOM 0 HD11 LEU A 2 92.413 -0.926 20.606 1.00 0.00 H new ATOM 0 HD12 LEU A 2 91.380 -0.476 21.983 1.00 0.00 H new ATOM 0 HD13 LEU A 2 92.544 0.697 21.322 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.867 -1.298 20.944 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.013 0.330 21.649 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.583 -1.089 22.560 1.00 0.00 H new ATOM 42 N ASP A 3 95.049 1.205 26.315 1.00 0.00 N ATOM 43 CA ASP A 3 94.926 1.995 27.567 1.00 0.00 C ATOM 44 C ASP A 3 93.514 2.571 27.628 1.00 0.00 C ATOM 45 O ASP A 3 92.890 2.607 28.671 1.00 0.00 O ATOM 46 CB ASP A 3 95.949 3.134 27.565 1.00 0.00 C ATOM 47 CG ASP A 3 97.355 2.560 27.760 1.00 0.00 C ATOM 48 OD1 ASP A 3 97.455 1.446 28.248 1.00 0.00 O ATOM 49 OD2 ASP A 3 98.306 3.245 27.420 1.00 0.00 O ATOM 0 H ASP A 3 95.771 1.527 25.671 1.00 0.00 H new ATOM 0 HA ASP A 3 95.114 1.360 28.433 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.896 3.683 26.625 1.00 0.00 H new ATOM 0 HB3 ASP A 3 95.721 3.843 28.361 1.00 0.00 H new ATOM 54 N GLY A 4 92.999 3.013 26.510 1.00 0.00 N ATOM 55 CA GLY A 4 91.616 3.574 26.491 1.00 0.00 C ATOM 56 C GLY A 4 90.671 2.620 27.229 1.00 0.00 C ATOM 57 O GLY A 4 89.553 2.966 27.555 1.00 0.00 O ATOM 0 H GLY A 4 93.477 3.009 25.609 1.00 0.00 H new ATOM 0 HA2 GLY A 4 91.603 4.556 26.965 1.00 0.00 H new ATOM 0 HA3 GLY A 4 91.282 3.712 25.463 1.00 0.00 H new ATOM 61 N ILE A 5 91.124 1.427 27.512 1.00 0.00 N ATOM 62 CA ILE A 5 90.271 0.455 28.247 1.00 0.00 C ATOM 63 C ILE A 5 89.910 1.062 29.604 1.00 0.00 C ATOM 64 O ILE A 5 88.830 0.855 30.123 1.00 0.00 O ATOM 65 CB ILE A 5 91.046 -0.864 28.420 1.00 0.00 C ATOM 66 CG1 ILE A 5 91.021 -1.639 27.100 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.414 -1.719 29.523 1.00 0.00 C ATOM 68 CD1 ILE A 5 92.031 -2.789 27.158 1.00 0.00 C ATOM 0 H ILE A 5 92.052 1.085 27.263 1.00 0.00 H new ATOM 0 HA ILE A 5 89.354 0.244 27.696 1.00 0.00 H new ATOM 0 HB ILE A 5 92.074 -0.635 28.701 1.00 0.00 H new ATOM 0 HG12 ILE A 5 90.020 -2.030 26.915 1.00 0.00 H new ATOM 0 HG13 ILE A 5 91.261 -0.973 26.271 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.975 -2.647 29.631 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.435 -1.171 30.465 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.382 -1.948 29.259 1.00 0.00 H new ATOM 0 HD11 ILE A 5 92.011 -3.339 26.217 1.00 0.00 H new ATOM 0 HD12 ILE A 5 93.031 -2.387 27.322 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.771 -3.461 27.976 1.00 0.00 H new ATOM 80 N ASP A 6 90.796 1.831 30.169 1.00 0.00 N ATOM 81 CA ASP A 6 90.497 2.478 31.476 1.00 0.00 C ATOM 82 C ASP A 6 89.267 3.368 31.304 1.00 0.00 C ATOM 83 O ASP A 6 88.414 3.450 32.165 1.00 0.00 O ATOM 84 CB ASP A 6 91.692 3.328 31.911 1.00 0.00 C ATOM 85 CG ASP A 6 92.855 2.414 32.297 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.609 1.243 32.529 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.973 2.900 32.350 1.00 0.00 O ATOM 0 H ASP A 6 91.716 2.040 29.782 1.00 0.00 H new ATOM 0 HA ASP A 6 90.306 1.721 32.236 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.992 3.994 31.102 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.415 3.958 32.756 1.00 0.00 H new ATOM 92 N LYS A 7 89.173 4.034 30.188 1.00 0.00 N ATOM 93 CA LYS A 7 88.005 4.922 29.935 1.00 0.00 C ATOM 94 C LYS A 7 86.724 4.084 29.921 1.00 0.00 C ATOM 95 O LYS A 7 85.694 4.498 30.417 1.00 0.00 O ATOM 96 CB LYS A 7 88.183 5.612 28.581 1.00 0.00 C ATOM 97 CG LYS A 7 87.056 6.623 28.369 1.00 0.00 C ATOM 98 CD LYS A 7 87.238 7.309 27.015 1.00 0.00 C ATOM 99 CE LYS A 7 86.113 8.324 26.802 1.00 0.00 C ATOM 100 NZ LYS A 7 84.816 7.605 26.657 1.00 0.00 N ATOM 0 H LYS A 7 89.860 4.001 29.435 1.00 0.00 H new ATOM 0 HA LYS A 7 87.936 5.674 30.721 1.00 0.00 H new ATOM 0 HB2 LYS A 7 89.149 6.115 28.542 1.00 0.00 H new ATOM 0 HB3 LYS A 7 88.177 4.872 27.781 1.00 0.00 H new ATOM 0 HG2 LYS A 7 86.090 6.120 28.408 1.00 0.00 H new ATOM 0 HG3 LYS A 7 87.062 7.364 29.168 1.00 0.00 H new ATOM 0 HD2 LYS A 7 88.206 7.809 26.976 1.00 0.00 H new ATOM 0 HD3 LYS A 7 87.230 6.568 26.216 1.00 0.00 H new ATOM 0 HE2 LYS A 7 86.066 9.014 27.645 1.00 0.00 H new ATOM 0 HE3 LYS A 7 86.311 8.921 25.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 84.377 7.861 25.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 84.983 6.579 26.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 84.182 7.873 27.436 1.00 0.00 H new ATOM 114 N ALA A 8 86.777 2.911 29.350 1.00 0.00 N ATOM 115 CA ALA A 8 85.561 2.050 29.295 1.00 0.00 C ATOM 116 C ALA A 8 85.057 1.773 30.717 1.00 0.00 C ATOM 117 O ALA A 8 83.870 1.674 30.953 1.00 0.00 O ATOM 118 CB ALA A 8 85.903 0.728 28.604 1.00 0.00 C ATOM 0 H ALA A 8 87.611 2.512 28.919 1.00 0.00 H new ATOM 0 HA ALA A 8 84.781 2.563 28.732 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.014 0.098 28.564 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.253 0.927 27.591 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.685 0.216 29.165 1.00 0.00 H new ATOM 124 N GLN A 9 85.944 1.652 31.669 1.00 0.00 N ATOM 125 CA GLN A 9 85.496 1.390 33.067 1.00 0.00 C ATOM 126 C GLN A 9 84.601 2.539 33.535 1.00 0.00 C ATOM 127 O GLN A 9 83.596 2.335 34.189 1.00 0.00 O ATOM 128 CB GLN A 9 86.715 1.300 33.989 1.00 0.00 C ATOM 129 CG GLN A 9 87.495 0.020 33.691 1.00 0.00 C ATOM 130 CD GLN A 9 88.759 -0.021 34.552 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.355 1.002 34.826 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.194 -1.167 34.995 1.00 0.00 N ATOM 0 H GLN A 9 86.953 1.723 31.540 1.00 0.00 H new ATOM 0 HA GLN A 9 84.943 0.451 33.099 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.356 2.170 33.845 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.396 1.308 35.031 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.874 -0.852 33.896 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.761 -0.019 32.635 1.00 0.00 H new ATOM 0 HE21 GLN A 9 88.694 -2.026 34.765 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.035 -1.205 35.572 1.00 0.00 H new ATOM 141 N GLU A 10 84.962 3.747 33.202 1.00 0.00 N ATOM 142 CA GLU A 10 84.146 4.920 33.622 1.00 0.00 C ATOM 143 C GLU A 10 82.737 4.813 33.032 1.00 0.00 C ATOM 144 O GLU A 10 81.758 5.142 33.671 1.00 0.00 O ATOM 145 CB GLU A 10 84.812 6.204 33.121 1.00 0.00 C ATOM 146 CG GLU A 10 86.113 6.438 33.893 1.00 0.00 C ATOM 147 CD GLU A 10 85.792 6.808 35.341 1.00 0.00 C ATOM 148 OE1 GLU A 10 84.747 7.397 35.564 1.00 0.00 O ATOM 149 OE2 GLU A 10 86.596 6.496 36.204 1.00 0.00 O ATOM 0 H GLU A 10 85.792 3.973 32.654 1.00 0.00 H new ATOM 0 HA GLU A 10 84.077 4.940 34.710 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.019 6.127 32.054 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.140 7.051 33.255 1.00 0.00 H new ATOM 0 HG2 GLU A 10 86.731 5.540 33.865 1.00 0.00 H new ATOM 0 HG3 GLU A 10 86.688 7.235 33.422 1.00 0.00 H new ATOM 156 N GLU A 11 82.632 4.376 31.805 1.00 0.00 N ATOM 157 CA GLU A 11 81.293 4.267 31.150 1.00 0.00 C ATOM 158 C GLU A 11 80.693 2.876 31.378 1.00 0.00 C ATOM 159 O GLU A 11 79.612 2.579 30.915 1.00 0.00 O ATOM 160 CB GLU A 11 81.455 4.501 29.647 1.00 0.00 C ATOM 161 CG GLU A 11 82.030 5.898 29.406 1.00 0.00 C ATOM 162 CD GLU A 11 82.192 6.130 27.903 1.00 0.00 C ATOM 163 OE1 GLU A 11 82.040 5.177 27.158 1.00 0.00 O ATOM 164 OE2 GLU A 11 82.464 7.256 27.523 1.00 0.00 O ATOM 0 H GLU A 11 83.420 4.088 31.224 1.00 0.00 H new ATOM 0 HA GLU A 11 80.626 5.013 31.582 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.115 3.746 29.220 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.492 4.402 29.147 1.00 0.00 H new ATOM 0 HG2 GLU A 11 81.370 6.653 29.832 1.00 0.00 H new ATOM 0 HG3 GLU A 11 82.993 5.998 29.906 1.00 0.00 H new ATOM 171 N CYS A 12 81.377 2.017 32.081 1.00 0.00 N ATOM 172 CA CYS A 12 80.823 0.650 32.316 1.00 0.00 C ATOM 173 C CYS A 12 79.371 0.759 32.795 1.00 0.00 C ATOM 174 O CYS A 12 78.501 0.047 32.333 1.00 0.00 O ATOM 175 CB CYS A 12 81.661 -0.066 33.377 1.00 0.00 C ATOM 176 SG CYS A 12 81.010 -1.733 33.637 1.00 0.00 S ATOM 0 H CYS A 12 82.289 2.198 32.501 1.00 0.00 H new ATOM 0 HA CYS A 12 80.854 0.082 31.386 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.703 -0.116 33.060 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.639 0.494 34.312 1.00 0.00 H new ATOM 0 HG CYS A 12 81.925 -2.475 34.187 1.00 0.00 H new ATOM 181 N GLU A 13 79.103 1.646 33.713 1.00 0.00 N ATOM 182 CA GLU A 13 77.707 1.806 34.217 1.00 0.00 C ATOM 183 C GLU A 13 76.775 2.201 33.067 1.00 0.00 C ATOM 184 O GLU A 13 75.629 1.803 33.020 1.00 0.00 O ATOM 185 CB GLU A 13 77.667 2.888 35.301 1.00 0.00 C ATOM 186 CG GLU A 13 78.368 2.376 36.561 1.00 0.00 C ATOM 187 CD GLU A 13 78.328 3.458 37.642 1.00 0.00 C ATOM 188 OE1 GLU A 13 77.950 4.574 37.324 1.00 0.00 O ATOM 189 OE2 GLU A 13 78.677 3.154 38.771 1.00 0.00 O ATOM 0 H GLU A 13 79.791 2.269 34.137 1.00 0.00 H new ATOM 0 HA GLU A 13 77.374 0.857 34.638 1.00 0.00 H new ATOM 0 HB2 GLU A 13 78.156 3.794 34.943 1.00 0.00 H new ATOM 0 HB3 GLU A 13 76.634 3.152 35.529 1.00 0.00 H new ATOM 0 HG2 GLU A 13 77.879 1.470 36.920 1.00 0.00 H new ATOM 0 HG3 GLU A 13 79.401 2.112 36.334 1.00 0.00 H new ATOM 196 N LYS A 14 77.250 2.998 32.151 1.00 0.00 N ATOM 197 CA LYS A 14 76.385 3.435 31.018 1.00 0.00 C ATOM 198 C LYS A 14 75.997 2.226 30.161 1.00 0.00 C ATOM 199 O LYS A 14 74.889 2.139 29.668 1.00 0.00 O ATOM 200 CB LYS A 14 77.138 4.459 30.168 1.00 0.00 C ATOM 201 CG LYS A 14 77.274 5.760 30.963 1.00 0.00 C ATOM 202 CD LYS A 14 78.089 6.787 30.162 1.00 0.00 C ATOM 203 CE LYS A 14 77.291 7.279 28.945 1.00 0.00 C ATOM 204 NZ LYS A 14 77.485 6.335 27.809 1.00 0.00 N ATOM 0 H LYS A 14 78.201 3.367 32.137 1.00 0.00 H new ATOM 0 HA LYS A 14 75.477 3.892 31.412 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.123 4.076 29.901 1.00 0.00 H new ATOM 0 HB3 LYS A 14 76.603 4.641 29.236 1.00 0.00 H new ATOM 0 HG2 LYS A 14 76.286 6.163 31.187 1.00 0.00 H new ATOM 0 HG3 LYS A 14 77.762 5.562 31.918 1.00 0.00 H new ATOM 0 HD2 LYS A 14 78.347 7.632 30.800 1.00 0.00 H new ATOM 0 HD3 LYS A 14 79.026 6.338 29.832 1.00 0.00 H new ATOM 0 HE2 LYS A 14 76.233 7.351 29.196 1.00 0.00 H new ATOM 0 HE3 LYS A 14 77.620 8.279 28.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 77.830 6.857 26.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 78.181 5.609 28.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 76.580 5.878 27.579 1.00 0.00 H new ATOM 218 N TYR A 15 76.890 1.290 29.976 1.00 0.00 N ATOM 219 CA TYR A 15 76.553 0.092 29.149 1.00 0.00 C ATOM 220 C TYR A 15 75.914 -0.973 30.042 1.00 0.00 C ATOM 221 O TYR A 15 75.355 -1.939 29.567 1.00 0.00 O ATOM 222 CB TYR A 15 77.825 -0.467 28.510 1.00 0.00 C ATOM 223 CG TYR A 15 78.311 0.495 27.452 1.00 0.00 C ATOM 224 CD1 TYR A 15 77.831 0.397 26.141 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.236 1.491 27.786 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.276 1.295 25.163 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.681 2.391 26.808 1.00 0.00 C ATOM 228 CZ TYR A 15 79.201 2.291 25.497 1.00 0.00 C ATOM 229 OH TYR A 15 79.639 3.177 24.535 1.00 0.00 O ATOM 0 H TYR A 15 77.835 1.302 30.360 1.00 0.00 H new ATOM 0 HA TYR A 15 75.854 0.376 28.363 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.594 -0.612 29.268 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.626 -1.443 28.068 1.00 0.00 H new ATOM 0 HD1 TYR A 15 77.117 -0.371 25.884 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.607 1.566 28.798 1.00 0.00 H new ATOM 0 HE1 TYR A 15 77.906 1.219 24.151 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.393 3.161 27.066 1.00 0.00 H new ATOM 0 HH TYR A 15 80.180 2.699 23.872 1.00 0.00 H new ATOM 239 N HIS A 16 75.988 -0.791 31.335 1.00 0.00 N ATOM 240 CA HIS A 16 75.378 -1.772 32.279 1.00 0.00 C ATOM 241 C HIS A 16 75.973 -3.164 32.051 1.00 0.00 C ATOM 242 O HIS A 16 77.164 -3.320 31.862 1.00 0.00 O ATOM 243 CB HIS A 16 73.858 -1.812 32.080 1.00 0.00 C ATOM 244 CG HIS A 16 73.299 -0.426 32.253 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.112 0.435 31.180 1.00 0.00 N ATOM 246 CD2 HIS A 16 72.892 0.268 33.367 1.00 0.00 C ATOM 247 CE1 HIS A 16 72.614 1.587 31.667 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.462 1.535 32.991 1.00 0.00 N ATOM 0 H HIS A 16 76.449 0.002 31.780 1.00 0.00 H new ATOM 0 HA HIS A 16 75.595 -1.461 33.301 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.619 -2.192 31.087 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.403 -2.493 32.799 1.00 0.00 H new ATOM 0 HD2 HIS A 16 72.904 -0.112 34.378 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.368 2.446 31.061 1.00 0.00 H new ATOM 0 HE2 HIS A 16 72.105 2.271 33.600 1.00 0.00 H new ATOM 257 N SER A 17 75.152 -4.179 32.080 1.00 0.00 N ATOM 258 CA SER A 17 75.659 -5.568 31.881 1.00 0.00 C ATOM 259 C SER A 17 75.784 -5.872 30.385 1.00 0.00 C ATOM 260 O SER A 17 76.188 -6.951 29.998 1.00 0.00 O ATOM 261 CB SER A 17 74.682 -6.557 32.518 1.00 0.00 C ATOM 262 OG SER A 17 74.975 -7.870 32.058 1.00 0.00 O ATOM 0 H SER A 17 74.146 -4.106 32.234 1.00 0.00 H new ATOM 0 HA SER A 17 76.640 -5.662 32.348 1.00 0.00 H new ATOM 0 HB2 SER A 17 74.760 -6.514 33.604 1.00 0.00 H new ATOM 0 HB3 SER A 17 73.657 -6.290 32.261 1.00 0.00 H new ATOM 0 HG SER A 17 75.740 -7.839 31.446 1.00 0.00 H new ATOM 268 N ASN A 18 75.435 -4.939 29.539 1.00 0.00 N ATOM 269 CA ASN A 18 75.531 -5.197 28.073 1.00 0.00 C ATOM 270 C ASN A 18 76.978 -5.004 27.612 1.00 0.00 C ATOM 271 O ASN A 18 77.320 -4.007 27.010 1.00 0.00 O ATOM 272 CB ASN A 18 74.635 -4.212 27.321 1.00 0.00 C ATOM 273 CG ASN A 18 73.168 -4.520 27.613 1.00 0.00 C ATOM 274 OD1 ASN A 18 72.833 -5.611 28.033 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.271 -3.596 27.407 1.00 0.00 N ATOM 0 H ASN A 18 75.090 -4.015 29.798 1.00 0.00 H new ATOM 0 HA ASN A 18 75.212 -6.219 27.867 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.869 -3.191 27.622 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.824 -4.279 26.250 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.288 -3.788 27.598 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.553 -2.681 27.055 1.00 0.00 H new ATOM 282 N TRP A 19 77.829 -5.954 27.885 1.00 0.00 N ATOM 283 CA TRP A 19 79.250 -5.827 27.457 1.00 0.00 C ATOM 284 C TRP A 19 79.350 -5.950 25.934 1.00 0.00 C ATOM 285 O TRP A 19 80.257 -5.427 25.318 1.00 0.00 O ATOM 286 CB TRP A 19 80.082 -6.924 28.127 1.00 0.00 C ATOM 287 CG TRP A 19 79.566 -8.271 27.731 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.591 -8.948 28.380 1.00 0.00 C ATOM 289 CD2 TRP A 19 79.984 -9.120 26.621 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.381 -10.156 27.740 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.215 -10.309 26.651 1.00 0.00 C ATOM 292 CE3 TRP A 19 80.942 -8.977 25.603 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.393 -11.318 25.703 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.123 -9.992 24.647 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.350 -11.160 24.698 1.00 0.00 C ATOM 0 H TRP A 19 77.602 -6.813 28.386 1.00 0.00 H new ATOM 0 HA TRP A 19 79.632 -4.851 27.755 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.128 -6.827 27.837 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.040 -6.813 29.211 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.062 -8.601 29.256 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.694 -10.849 28.037 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.543 -8.081 25.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.794 -12.216 25.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.862 -9.871 23.869 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.494 -11.937 23.961 1.00 0.00 H new ATOM 306 N ARG A 20 78.428 -6.640 25.322 1.00 0.00 N ATOM 307 CA ARG A 20 78.473 -6.798 23.841 1.00 0.00 C ATOM 308 C ARG A 20 78.402 -5.427 23.164 1.00 0.00 C ATOM 309 O ARG A 20 79.080 -5.170 22.188 1.00 0.00 O ATOM 310 CB ARG A 20 77.286 -7.652 23.395 1.00 0.00 C ATOM 311 CG ARG A 20 77.500 -9.092 23.861 1.00 0.00 C ATOM 312 CD ARG A 20 76.320 -9.960 23.422 1.00 0.00 C ATOM 313 NE ARG A 20 76.538 -11.357 23.898 1.00 0.00 N ATOM 314 CZ ARG A 20 75.557 -12.217 23.882 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.383 -11.862 23.436 1.00 0.00 N ATOM 316 NH2 ARG A 20 75.751 -13.434 24.311 1.00 0.00 N ATOM 0 H ARG A 20 77.644 -7.102 25.784 1.00 0.00 H new ATOM 0 HA ARG A 20 79.407 -7.283 23.557 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.360 -7.256 23.812 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.186 -7.619 22.310 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.427 -9.485 23.444 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.601 -9.122 24.946 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.390 -9.564 23.830 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.224 -9.943 22.336 1.00 0.00 H new ATOM 0 HE ARG A 20 77.457 -11.641 24.237 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.231 -10.911 23.099 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.617 -12.535 23.424 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.669 -13.712 24.658 1.00 0.00 H new ATOM 0 HH22 ARG A 20 74.985 -14.107 24.299 1.00 0.00 H new ATOM 330 N ALA A 21 77.590 -4.542 23.670 1.00 0.00 N ATOM 331 CA ALA A 21 77.483 -3.192 23.048 1.00 0.00 C ATOM 332 C ALA A 21 78.803 -2.442 23.235 1.00 0.00 C ATOM 333 O ALA A 21 79.292 -1.789 22.334 1.00 0.00 O ATOM 334 CB ALA A 21 76.351 -2.409 23.719 1.00 0.00 C ATOM 0 H ALA A 21 76.997 -4.694 24.486 1.00 0.00 H new ATOM 0 HA ALA A 21 77.270 -3.296 21.984 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.272 -1.421 23.264 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.411 -2.945 23.588 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.563 -2.303 24.783 1.00 0.00 H new ATOM 340 N MET A 22 79.386 -2.536 24.397 1.00 0.00 N ATOM 341 CA MET A 22 80.676 -1.834 24.645 1.00 0.00 C ATOM 342 C MET A 22 81.755 -2.398 23.716 1.00 0.00 C ATOM 343 O MET A 22 82.564 -1.673 23.178 1.00 0.00 O ATOM 344 CB MET A 22 81.084 -2.044 26.105 1.00 0.00 C ATOM 345 CG MET A 22 82.375 -1.282 26.398 1.00 0.00 C ATOM 346 SD MET A 22 82.657 -1.234 28.187 1.00 0.00 S ATOM 347 CE MET A 22 82.858 -3.012 28.454 1.00 0.00 C ATOM 0 H MET A 22 79.024 -3.070 25.187 1.00 0.00 H new ATOM 0 HA MET A 22 80.561 -0.768 24.448 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.290 -1.699 26.767 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.225 -3.106 26.303 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.216 -1.765 25.900 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.309 -0.268 26.002 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.365 -3.182 29.404 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.879 -3.490 28.475 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.452 -3.437 27.644 1.00 0.00 H new ATOM 357 N ALA A 23 81.772 -3.686 23.520 1.00 0.00 N ATOM 358 CA ALA A 23 82.802 -4.286 22.624 1.00 0.00 C ATOM 359 C ALA A 23 82.679 -3.682 21.222 1.00 0.00 C ATOM 360 O ALA A 23 83.664 -3.404 20.568 1.00 0.00 O ATOM 361 CB ALA A 23 82.586 -5.800 22.546 1.00 0.00 C ATOM 0 H ALA A 23 81.120 -4.349 23.939 1.00 0.00 H new ATOM 0 HA ALA A 23 83.795 -4.077 23.022 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.338 -6.242 21.892 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.674 -6.232 23.543 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.592 -6.006 22.148 1.00 0.00 H new ATOM 367 N SER A 24 81.478 -3.478 20.755 1.00 0.00 N ATOM 368 CA SER A 24 81.292 -2.893 19.394 1.00 0.00 C ATOM 369 C SER A 24 81.749 -1.433 19.388 1.00 0.00 C ATOM 370 O SER A 24 82.263 -0.938 18.404 1.00 0.00 O ATOM 371 CB SER A 24 79.814 -2.963 19.004 1.00 0.00 C ATOM 372 OG SER A 24 79.662 -2.507 17.667 1.00 0.00 O ATOM 0 H SER A 24 80.616 -3.691 21.256 1.00 0.00 H new ATOM 0 HA SER A 24 81.887 -3.460 18.678 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.449 -3.986 19.096 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.218 -2.350 19.680 1.00 0.00 H new ATOM 0 HG SER A 24 78.717 -2.551 17.412 1.00 0.00 H new ATOM 378 N ASP A 25 81.556 -0.735 20.472 1.00 0.00 N ATOM 379 CA ASP A 25 81.966 0.698 20.517 1.00 0.00 C ATOM 380 C ASP A 25 83.490 0.795 20.512 1.00 0.00 C ATOM 381 O ASP A 25 84.071 1.610 19.824 1.00 0.00 O ATOM 382 CB ASP A 25 81.438 1.328 21.805 1.00 0.00 C ATOM 383 CG ASP A 25 81.580 2.849 21.729 1.00 0.00 C ATOM 384 OD1 ASP A 25 82.213 3.318 20.797 1.00 0.00 O ATOM 385 OD2 ASP A 25 81.060 3.518 22.606 1.00 0.00 O ATOM 0 H ASP A 25 81.133 -1.093 21.328 1.00 0.00 H new ATOM 0 HA ASP A 25 81.561 1.218 19.649 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.392 1.057 21.952 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.990 0.944 22.663 1.00 0.00 H new ATOM 390 N PHE A 26 84.139 -0.033 21.278 1.00 0.00 N ATOM 391 CA PHE A 26 85.634 -0.003 21.331 1.00 0.00 C ATOM 392 C PHE A 26 86.201 -1.035 20.351 1.00 0.00 C ATOM 393 O PHE A 26 87.398 -1.182 20.213 1.00 0.00 O ATOM 394 CB PHE A 26 86.096 -0.335 22.753 1.00 0.00 C ATOM 395 CG PHE A 26 85.746 0.807 23.682 1.00 0.00 C ATOM 396 CD1 PHE A 26 84.498 0.838 24.318 1.00 0.00 C ATOM 397 CD2 PHE A 26 86.672 1.835 23.913 1.00 0.00 C ATOM 398 CE1 PHE A 26 84.176 1.892 25.180 1.00 0.00 C ATOM 399 CE2 PHE A 26 86.348 2.888 24.776 1.00 0.00 C ATOM 400 CZ PHE A 26 85.100 2.917 25.409 1.00 0.00 C ATOM 0 H PHE A 26 83.701 -0.735 21.875 1.00 0.00 H new ATOM 0 HA PHE A 26 85.991 0.989 21.055 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.620 -1.254 23.095 1.00 0.00 H new ATOM 0 HB3 PHE A 26 87.172 -0.510 22.765 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.784 0.047 24.143 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.635 1.814 23.425 1.00 0.00 H new ATOM 0 HE1 PHE A 26 83.213 1.914 25.669 1.00 0.00 H new ATOM 0 HE2 PHE A 26 87.062 3.679 24.954 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.850 3.731 26.074 1.00 0.00 H new ATOM 410 N ASN A 27 85.347 -1.745 19.664 1.00 0.00 N ATOM 411 CA ASN A 27 85.832 -2.763 18.688 1.00 0.00 C ATOM 412 C ASN A 27 86.846 -3.689 19.363 1.00 0.00 C ATOM 413 O ASN A 27 87.911 -3.941 18.837 1.00 0.00 O ATOM 414 CB ASN A 27 86.493 -2.062 17.499 1.00 0.00 C ATOM 415 CG ASN A 27 85.462 -1.189 16.784 1.00 0.00 C ATOM 416 OD1 ASN A 27 85.730 -0.049 16.463 1.00 0.00 O ATOM 417 ND2 ASN A 27 84.282 -1.680 16.519 1.00 0.00 N ATOM 0 H ASN A 27 84.333 -1.664 19.737 1.00 0.00 H new ATOM 0 HA ASN A 27 84.985 -3.353 18.337 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.328 -1.451 17.842 1.00 0.00 H new ATOM 0 HB3 ASN A 27 86.901 -2.800 16.809 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.586 -1.106 16.043 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.056 -2.637 16.788 1.00 0.00 H new ATOM 424 N LEU A 28 86.516 -4.199 20.526 1.00 0.00 N ATOM 425 CA LEU A 28 87.446 -5.122 21.255 1.00 0.00 C ATOM 426 C LEU A 28 86.795 -6.507 21.365 1.00 0.00 C ATOM 427 O LEU A 28 85.586 -6.619 21.409 1.00 0.00 O ATOM 428 CB LEU A 28 87.688 -4.583 22.667 1.00 0.00 C ATOM 429 CG LEU A 28 88.570 -3.324 22.616 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.431 -2.549 23.932 1.00 0.00 C ATOM 431 CD2 LEU A 28 90.048 -3.708 22.410 1.00 0.00 C ATOM 0 H LEU A 28 85.635 -4.014 21.006 1.00 0.00 H new ATOM 0 HA LEU A 28 88.390 -5.191 20.714 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.735 -4.348 23.142 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.169 -5.347 23.278 1.00 0.00 H new ATOM 0 HG LEU A 28 88.245 -2.704 21.781 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.056 -1.657 23.896 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.390 -2.258 24.075 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.748 -3.181 24.762 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.657 -2.805 22.376 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.379 -4.338 23.236 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.155 -4.253 21.472 1.00 0.00 H new ATOM 443 N PRO A 29 87.580 -7.561 21.413 1.00 0.00 N ATOM 444 CA PRO A 29 87.039 -8.947 21.524 1.00 0.00 C ATOM 445 C PRO A 29 86.491 -9.244 22.937 1.00 0.00 C ATOM 446 O PRO A 29 86.933 -8.660 23.907 1.00 0.00 O ATOM 447 CB PRO A 29 88.254 -9.831 21.215 1.00 0.00 C ATOM 448 CG PRO A 29 89.428 -9.016 21.647 1.00 0.00 C ATOM 449 CD PRO A 29 89.056 -7.559 21.364 1.00 0.00 C ATOM 0 HA PRO A 29 86.198 -9.116 20.852 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.206 -10.776 21.757 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.308 -10.074 20.154 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.639 -9.166 22.706 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.325 -9.303 21.099 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.481 -6.885 22.108 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.424 -7.233 20.391 1.00 0.00 H new ATOM 457 N PRO A 30 85.546 -10.149 23.055 1.00 0.00 N ATOM 458 CA PRO A 30 84.948 -10.522 24.370 1.00 0.00 C ATOM 459 C PRO A 30 85.982 -10.632 25.503 1.00 0.00 C ATOM 460 O PRO A 30 85.659 -10.471 26.663 1.00 0.00 O ATOM 461 CB PRO A 30 84.323 -11.895 24.093 1.00 0.00 C ATOM 462 CG PRO A 30 83.953 -11.876 22.643 1.00 0.00 C ATOM 463 CD PRO A 30 84.933 -10.916 21.948 1.00 0.00 C ATOM 0 HA PRO A 30 84.244 -9.764 24.714 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.027 -12.698 24.309 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.447 -12.062 24.720 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.021 -12.876 22.213 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.924 -11.541 22.511 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.686 -11.461 21.378 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.416 -10.259 21.248 1.00 0.00 H new ATOM 471 N VAL A 31 87.211 -10.932 25.186 1.00 0.00 N ATOM 472 CA VAL A 31 88.238 -11.084 26.260 1.00 0.00 C ATOM 473 C VAL A 31 88.384 -9.780 27.052 1.00 0.00 C ATOM 474 O VAL A 31 88.356 -9.781 28.266 1.00 0.00 O ATOM 475 CB VAL A 31 89.589 -11.452 25.627 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.707 -11.368 26.682 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.510 -12.877 25.071 1.00 0.00 C ATOM 0 H VAL A 31 87.550 -11.078 24.235 1.00 0.00 H new ATOM 0 HA VAL A 31 87.920 -11.874 26.940 1.00 0.00 H new ATOM 0 HB VAL A 31 89.814 -10.753 24.821 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.660 -11.631 26.224 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.761 -10.353 27.075 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.492 -12.061 27.495 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.465 -13.145 24.620 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.283 -13.571 25.880 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.725 -12.930 24.317 1.00 0.00 H new ATOM 487 N VAL A 32 88.550 -8.673 26.386 1.00 0.00 N ATOM 488 CA VAL A 32 88.710 -7.388 27.122 1.00 0.00 C ATOM 489 C VAL A 32 87.358 -6.925 27.666 1.00 0.00 C ATOM 490 O VAL A 32 87.260 -6.432 28.772 1.00 0.00 O ATOM 491 CB VAL A 32 89.264 -6.323 26.179 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.466 -5.016 26.949 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.603 -6.794 25.607 1.00 0.00 C ATOM 0 H VAL A 32 88.582 -8.601 25.369 1.00 0.00 H new ATOM 0 HA VAL A 32 89.400 -7.539 27.952 1.00 0.00 H new ATOM 0 HB VAL A 32 88.561 -6.158 25.363 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.862 -4.255 26.276 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.511 -4.681 27.354 1.00 0.00 H new ATOM 0 HG13 VAL A 32 90.169 -5.180 27.765 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.999 -6.034 24.934 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.308 -6.960 26.421 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.457 -7.724 25.058 1.00 0.00 H new ATOM 503 N ALA A 33 86.315 -7.065 26.895 1.00 0.00 N ATOM 504 CA ALA A 33 84.977 -6.615 27.370 1.00 0.00 C ATOM 505 C ALA A 33 84.603 -7.375 28.642 1.00 0.00 C ATOM 506 O ALA A 33 84.247 -6.788 29.644 1.00 0.00 O ATOM 507 CB ALA A 33 83.940 -6.890 26.280 1.00 0.00 C ATOM 0 H ALA A 33 86.331 -7.470 25.959 1.00 0.00 H new ATOM 0 HA ALA A 33 85.004 -5.547 27.587 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.958 -6.563 26.621 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.210 -6.345 25.375 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.912 -7.958 26.065 1.00 0.00 H new ATOM 513 N LYS A 34 84.695 -8.672 28.616 1.00 0.00 N ATOM 514 CA LYS A 34 84.361 -9.462 29.833 1.00 0.00 C ATOM 515 C LYS A 34 85.282 -9.052 30.983 1.00 0.00 C ATOM 516 O LYS A 34 84.864 -8.948 32.119 1.00 0.00 O ATOM 517 CB LYS A 34 84.529 -10.954 29.537 1.00 0.00 C ATOM 518 CG LYS A 34 83.402 -11.417 28.609 1.00 0.00 C ATOM 519 CD LYS A 34 83.563 -12.909 28.310 1.00 0.00 C ATOM 520 CE LYS A 34 82.373 -13.394 27.479 1.00 0.00 C ATOM 521 NZ LYS A 34 82.566 -14.830 27.127 1.00 0.00 N ATOM 0 H LYS A 34 84.986 -9.220 27.807 1.00 0.00 H new ATOM 0 HA LYS A 34 83.327 -9.267 30.119 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.497 -11.137 29.071 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.509 -11.525 30.465 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.434 -11.232 29.075 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.424 -10.846 27.681 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.493 -13.084 27.769 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.624 -13.473 29.241 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.448 -13.267 28.041 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.280 -12.795 26.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 81.758 -15.161 26.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 83.441 -14.938 26.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.634 -15.395 27.998 1.00 0.00 H new ATOM 535 N GLU A 35 86.534 -8.826 30.699 1.00 0.00 N ATOM 536 CA GLU A 35 87.484 -8.435 31.779 1.00 0.00 C ATOM 537 C GLU A 35 87.035 -7.124 32.428 1.00 0.00 C ATOM 538 O GLU A 35 87.111 -6.964 33.630 1.00 0.00 O ATOM 539 CB GLU A 35 88.880 -8.244 31.183 1.00 0.00 C ATOM 540 CG GLU A 35 89.889 -7.967 32.304 1.00 0.00 C ATOM 541 CD GLU A 35 89.801 -6.503 32.755 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.290 -5.692 31.999 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.243 -6.218 33.857 1.00 0.00 O ATOM 0 H GLU A 35 86.941 -8.895 29.766 1.00 0.00 H new ATOM 0 HA GLU A 35 87.504 -9.221 32.533 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.174 -9.135 30.629 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.873 -7.416 30.475 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.693 -8.627 33.149 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.898 -8.187 31.956 1.00 0.00 H new ATOM 550 N ILE A 36 86.571 -6.184 31.653 1.00 0.00 N ATOM 551 CA ILE A 36 86.128 -4.894 32.254 1.00 0.00 C ATOM 552 C ILE A 36 84.986 -5.182 33.230 1.00 0.00 C ATOM 553 O ILE A 36 84.935 -4.646 34.318 1.00 0.00 O ATOM 554 CB ILE A 36 85.657 -3.951 31.146 1.00 0.00 C ATOM 555 CG1 ILE A 36 86.852 -3.552 30.274 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.055 -2.692 31.767 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.357 -2.820 29.025 1.00 0.00 C ATOM 0 H ILE A 36 86.480 -6.251 30.639 1.00 0.00 H new ATOM 0 HA ILE A 36 86.952 -4.419 32.787 1.00 0.00 H new ATOM 0 HB ILE A 36 84.907 -4.457 30.538 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.529 -2.911 30.839 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.418 -4.439 29.988 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.720 -2.021 30.976 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.207 -2.966 32.395 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.808 -2.190 32.374 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.209 -2.538 28.407 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.698 -3.476 28.456 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.811 -1.924 29.321 1.00 0.00 H new ATOM 569 N VAL A 37 84.088 -6.053 32.859 1.00 0.00 N ATOM 570 CA VAL A 37 82.969 -6.411 33.773 1.00 0.00 C ATOM 571 C VAL A 37 83.549 -7.143 34.983 1.00 0.00 C ATOM 572 O VAL A 37 83.133 -6.938 36.106 1.00 0.00 O ATOM 573 CB VAL A 37 81.974 -7.318 33.036 1.00 0.00 C ATOM 574 CG1 VAL A 37 80.971 -7.920 34.032 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.220 -6.490 31.990 1.00 0.00 C ATOM 0 H VAL A 37 84.082 -6.533 31.959 1.00 0.00 H new ATOM 0 HA VAL A 37 82.446 -5.513 34.101 1.00 0.00 H new ATOM 0 HB VAL A 37 82.517 -8.127 32.548 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.270 -8.562 33.499 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.507 -8.508 34.777 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.424 -7.118 34.527 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.511 -7.128 31.463 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.682 -5.682 32.485 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.930 -6.070 31.277 1.00 0.00 H new ATOM 585 N ALA A 38 84.508 -7.996 34.755 1.00 0.00 N ATOM 586 CA ALA A 38 85.128 -8.752 35.878 1.00 0.00 C ATOM 587 C ALA A 38 85.727 -7.778 36.895 1.00 0.00 C ATOM 588 O ALA A 38 85.947 -8.121 38.040 1.00 0.00 O ATOM 589 CB ALA A 38 86.232 -9.658 35.333 1.00 0.00 C ATOM 0 H ALA A 38 84.891 -8.203 33.833 1.00 0.00 H new ATOM 0 HA ALA A 38 84.364 -9.356 36.367 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.687 -10.212 36.154 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.806 -10.359 34.615 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.991 -9.050 34.841 1.00 0.00 H new ATOM 595 N SER A 39 85.999 -6.563 36.493 1.00 0.00 N ATOM 596 CA SER A 39 86.587 -5.578 37.450 1.00 0.00 C ATOM 597 C SER A 39 85.458 -4.873 38.199 1.00 0.00 C ATOM 598 O SER A 39 85.479 -4.758 39.408 1.00 0.00 O ATOM 599 CB SER A 39 87.410 -4.546 36.677 1.00 0.00 C ATOM 600 OG SER A 39 88.587 -5.165 36.174 1.00 0.00 O ATOM 0 H SER A 39 85.840 -6.212 35.549 1.00 0.00 H new ATOM 0 HA SER A 39 87.232 -6.095 38.161 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.822 -4.136 35.856 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.673 -3.712 37.328 1.00 0.00 H new ATOM 0 HG SER A 39 88.537 -5.218 35.197 1.00 0.00 H new ATOM 606 N CYS A 40 84.461 -4.419 37.495 1.00 0.00 N ATOM 607 CA CYS A 40 83.324 -3.746 38.177 1.00 0.00 C ATOM 608 C CYS A 40 82.697 -4.737 39.163 1.00 0.00 C ATOM 609 O CYS A 40 82.411 -5.867 38.819 1.00 0.00 O ATOM 610 CB CYS A 40 82.290 -3.311 37.133 1.00 0.00 C ATOM 611 SG CYS A 40 81.300 -1.946 37.792 1.00 0.00 S ATOM 0 H CYS A 40 84.384 -4.485 36.480 1.00 0.00 H new ATOM 0 HA CYS A 40 83.670 -2.863 38.714 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.792 -3.000 36.217 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.644 -4.150 36.874 1.00 0.00 H new ATOM 0 HG CYS A 40 80.425 -1.577 36.904 1.00 0.00 H new ATOM 616 N ASP A 41 82.497 -4.337 40.386 1.00 0.00 N ATOM 617 CA ASP A 41 81.910 -5.275 41.384 1.00 0.00 C ATOM 618 C ASP A 41 80.391 -5.369 41.200 1.00 0.00 C ATOM 619 O ASP A 41 79.783 -6.370 41.520 1.00 0.00 O ATOM 620 CB ASP A 41 82.213 -4.762 42.793 1.00 0.00 C ATOM 621 CG ASP A 41 83.707 -4.914 43.084 1.00 0.00 C ATOM 622 OD1 ASP A 41 84.345 -5.703 42.407 1.00 0.00 O ATOM 623 OD2 ASP A 41 84.187 -4.239 43.979 1.00 0.00 O ATOM 0 H ASP A 41 82.713 -3.405 40.738 1.00 0.00 H new ATOM 0 HA ASP A 41 82.346 -6.263 41.240 1.00 0.00 H new ATOM 0 HB2 ASP A 41 81.920 -3.716 42.881 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.631 -5.319 43.527 1.00 0.00 H new ATOM 628 N LYS A 42 79.770 -4.331 40.710 1.00 0.00 N ATOM 629 CA LYS A 42 78.287 -4.367 40.537 1.00 0.00 C ATOM 630 C LYS A 42 77.898 -5.255 39.347 1.00 0.00 C ATOM 631 O LYS A 42 76.987 -6.055 39.436 1.00 0.00 O ATOM 632 CB LYS A 42 77.772 -2.946 40.299 1.00 0.00 C ATOM 633 CG LYS A 42 78.046 -2.085 41.536 1.00 0.00 C ATOM 634 CD LYS A 42 77.529 -0.665 41.295 1.00 0.00 C ATOM 635 CE LYS A 42 77.802 0.199 42.528 1.00 0.00 C ATOM 636 NZ LYS A 42 77.530 1.628 42.203 1.00 0.00 N ATOM 0 H LYS A 42 80.221 -3.463 40.423 1.00 0.00 H new ATOM 0 HA LYS A 42 77.840 -4.782 41.441 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.261 -2.513 39.427 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.703 -2.967 40.088 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.557 -2.518 42.409 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.115 -2.063 41.747 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.017 -0.233 40.421 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.460 -0.688 41.084 1.00 0.00 H new ATOM 0 HE2 LYS A 42 77.172 -0.123 43.357 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.837 0.078 42.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 77.715 2.216 43.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.149 1.931 41.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 76.536 1.736 41.917 1.00 0.00 H new ATOM 650 N CYS A 43 78.567 -5.120 38.232 1.00 0.00 N ATOM 651 CA CYS A 43 78.211 -5.957 37.046 1.00 0.00 C ATOM 652 C CYS A 43 78.755 -7.376 37.226 1.00 0.00 C ATOM 653 O CYS A 43 78.216 -8.329 36.698 1.00 0.00 O ATOM 654 CB CYS A 43 78.794 -5.336 35.777 1.00 0.00 C ATOM 655 SG CYS A 43 78.038 -3.714 35.504 1.00 0.00 S ATOM 0 H CYS A 43 79.341 -4.470 38.090 1.00 0.00 H new ATOM 0 HA CYS A 43 77.126 -6.000 36.956 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.875 -5.235 35.871 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.608 -5.986 34.922 1.00 0.00 H new ATOM 0 HG CYS A 43 78.533 -3.181 34.427 1.00 0.00 H new ATOM 660 N GLN A 44 79.816 -7.527 37.968 1.00 0.00 N ATOM 661 CA GLN A 44 80.385 -8.888 38.182 1.00 0.00 C ATOM 662 C GLN A 44 79.552 -9.612 39.238 1.00 0.00 C ATOM 663 O GLN A 44 78.839 -10.553 38.946 1.00 0.00 O ATOM 664 CB GLN A 44 81.837 -8.774 38.657 1.00 0.00 C ATOM 665 CG GLN A 44 82.447 -10.173 38.787 1.00 0.00 C ATOM 666 CD GLN A 44 83.904 -10.061 39.243 1.00 0.00 C ATOM 667 OE1 GLN A 44 84.783 -10.657 38.655 1.00 0.00 O ATOM 668 NE2 GLN A 44 84.197 -9.313 40.271 1.00 0.00 N ATOM 0 H GLN A 44 80.314 -6.769 38.435 1.00 0.00 H new ATOM 0 HA GLN A 44 80.362 -9.448 37.247 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.415 -8.178 37.951 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.877 -8.258 39.617 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.876 -10.764 39.503 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.394 -10.693 37.831 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.458 -8.812 40.765 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.165 -9.229 40.581 1.00 0.00 H new ATOM 677 N LEU A 45 79.634 -9.178 40.463 1.00 0.00 N ATOM 678 CA LEU A 45 78.846 -9.835 41.542 1.00 0.00 C ATOM 679 C LEU A 45 77.405 -9.328 41.492 1.00 0.00 C ATOM 680 O LEU A 45 77.126 -8.270 40.964 1.00 0.00 O ATOM 681 CB LEU A 45 79.445 -9.480 42.906 1.00 0.00 C ATOM 682 CG LEU A 45 80.905 -9.940 42.985 1.00 0.00 C ATOM 683 CD1 LEU A 45 81.470 -9.561 44.356 1.00 0.00 C ATOM 684 CD2 LEU A 45 80.993 -11.465 42.794 1.00 0.00 C ATOM 0 H LEU A 45 80.214 -8.395 40.765 1.00 0.00 H new ATOM 0 HA LEU A 45 78.870 -10.915 41.399 1.00 0.00 H new ATOM 0 HB2 LEU A 45 79.387 -8.403 43.067 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.865 -9.952 43.699 1.00 0.00 H new ATOM 0 HG LEU A 45 81.481 -9.455 42.197 1.00 0.00 H new ATOM 0 HD11 LEU A 45 82.509 -9.884 44.423 1.00 0.00 H new ATOM 0 HD12 LEU A 45 81.417 -8.480 44.485 1.00 0.00 H new ATOM 0 HD13 LEU A 45 80.887 -10.049 45.137 1.00 0.00 H new ATOM 0 HD21 LEU A 45 82.035 -11.779 42.852 1.00 0.00 H new ATOM 0 HD22 LEU A 45 80.419 -11.963 43.576 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.587 -11.734 41.819 1.00 0.00 H new ATOM 839 N PHE B 1 95.767 -11.681 22.368 1.00 0.00 N ATOM 840 CA PHE B 1 94.824 -12.782 22.715 1.00 0.00 C ATOM 841 C PHE B 1 95.326 -14.081 22.089 1.00 0.00 C ATOM 842 O PHE B 1 95.241 -14.282 20.893 1.00 0.00 O ATOM 843 CB PHE B 1 93.433 -12.447 22.180 1.00 0.00 C ATOM 844 CG PHE B 1 93.112 -11.001 22.494 1.00 0.00 C ATOM 845 CD1 PHE B 1 92.892 -10.606 23.818 1.00 0.00 C ATOM 846 CD2 PHE B 1 93.042 -10.054 21.462 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.597 -9.269 24.112 1.00 0.00 C ATOM 848 CE2 PHE B 1 92.748 -8.716 21.757 1.00 0.00 C ATOM 849 CZ PHE B 1 92.525 -8.325 23.082 1.00 0.00 C ATOM 0 H1 PHE B 1 95.229 -10.813 22.169 1.00 0.00 H new ATOM 0 H2 PHE B 1 96.413 -11.513 23.166 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.318 -11.948 21.527 1.00 0.00 H new ATOM 0 HA PHE B 1 94.769 -12.899 23.797 1.00 0.00 H new ATOM 0 HB2 PHE B 1 93.394 -12.615 21.104 1.00 0.00 H new ATOM 0 HB3 PHE B 1 92.689 -13.103 22.632 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.950 -11.333 24.614 1.00 0.00 H new ATOM 0 HD2 PHE B 1 93.215 -10.356 20.440 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.425 -8.966 25.134 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.694 -7.987 20.962 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.297 -7.294 23.310 1.00 0.00 H new ATOM 861 N LEU B 2 95.874 -14.955 22.892 1.00 0.00 N ATOM 862 CA LEU B 2 96.421 -16.242 22.362 1.00 0.00 C ATOM 863 C LEU B 2 95.460 -17.396 22.608 1.00 0.00 C ATOM 864 O LEU B 2 94.867 -17.514 23.654 1.00 0.00 O ATOM 865 CB LEU B 2 97.753 -16.549 23.048 1.00 0.00 C ATOM 866 CG LEU B 2 98.697 -15.349 22.920 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.032 -15.688 23.587 1.00 0.00 C ATOM 868 CD2 LEU B 2 98.929 -15.016 21.437 1.00 0.00 C ATOM 0 H LEU B 2 95.967 -14.833 23.900 1.00 0.00 H new ATOM 0 HA LEU B 2 96.562 -16.132 21.287 1.00 0.00 H new ATOM 0 HB2 LEU B 2 97.585 -16.779 24.100 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.209 -17.431 22.597 1.00 0.00 H new ATOM 0 HG LEU B 2 98.250 -14.483 23.409 1.00 0.00 H new ATOM 0 HD11 LEU B 2 100.709 -14.838 23.499 1.00 0.00 H new ATOM 0 HD12 LEU B 2 99.866 -15.912 24.641 1.00 0.00 H new ATOM 0 HD13 LEU B 2 100.474 -16.555 23.097 1.00 0.00 H new ATOM 0 HD21 LEU B 2 99.601 -14.162 21.357 1.00 0.00 H new ATOM 0 HD22 LEU B 2 99.374 -15.876 20.936 1.00 0.00 H new ATOM 0 HD23 LEU B 2 97.977 -14.774 20.965 1.00 0.00 H new ATOM 880 N ASP B 3 95.333 -18.266 21.647 1.00 0.00 N ATOM 881 CA ASP B 3 94.443 -19.445 21.813 1.00 0.00 C ATOM 882 C ASP B 3 94.947 -20.257 23.005 1.00 0.00 C ATOM 883 O ASP B 3 94.176 -20.758 23.800 1.00 0.00 O ATOM 884 CB ASP B 3 94.478 -20.307 20.548 1.00 0.00 C ATOM 885 CG ASP B 3 93.742 -19.585 19.416 1.00 0.00 C ATOM 886 OD1 ASP B 3 92.950 -18.707 19.716 1.00 0.00 O ATOM 887 OD2 ASP B 3 93.983 -19.925 18.269 1.00 0.00 O ATOM 0 H ASP B 3 95.811 -18.210 20.748 1.00 0.00 H new ATOM 0 HA ASP B 3 93.417 -19.120 21.983 1.00 0.00 H new ATOM 0 HB2 ASP B 3 95.510 -20.503 20.258 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.012 -21.273 20.741 1.00 0.00 H new ATOM 892 N GLY B 4 96.240 -20.379 23.142 1.00 0.00 N ATOM 893 CA GLY B 4 96.806 -21.144 24.292 1.00 0.00 C ATOM 894 C GLY B 4 96.129 -20.685 25.587 1.00 0.00 C ATOM 895 O GLY B 4 96.242 -21.318 26.618 1.00 0.00 O ATOM 0 H GLY B 4 96.931 -19.981 22.506 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.649 -22.213 24.145 1.00 0.00 H new ATOM 0 HA3 GLY B 4 97.883 -20.985 24.355 1.00 0.00 H new ATOM 899 N ILE B 5 95.406 -19.598 25.533 1.00 0.00 N ATOM 900 CA ILE B 5 94.700 -19.107 26.746 1.00 0.00 C ATOM 901 C ILE B 5 93.729 -20.195 27.210 1.00 0.00 C ATOM 902 O ILE B 5 93.499 -20.378 28.389 1.00 0.00 O ATOM 903 CB ILE B 5 93.949 -17.808 26.403 1.00 0.00 C ATOM 904 CG1 ILE B 5 94.945 -16.647 26.357 1.00 0.00 C ATOM 905 CG2 ILE B 5 92.874 -17.514 27.456 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.282 -15.423 25.720 1.00 0.00 C ATOM 0 H ILE B 5 95.275 -19.029 24.697 1.00 0.00 H new ATOM 0 HA ILE B 5 95.406 -18.892 27.548 1.00 0.00 H new ATOM 0 HB ILE B 5 93.466 -17.925 25.433 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.284 -16.406 27.365 1.00 0.00 H new ATOM 0 HG13 ILE B 5 95.827 -16.934 25.784 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.353 -16.592 27.197 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.160 -18.337 27.487 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.343 -17.403 28.434 1.00 0.00 H new ATOM 0 HD11 ILE B 5 94.994 -14.598 25.689 1.00 0.00 H new ATOM 0 HD12 ILE B 5 93.965 -15.667 24.706 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.414 -15.131 26.311 1.00 0.00 H new ATOM 918 N ASP B 6 93.177 -20.934 26.290 1.00 0.00 N ATOM 919 CA ASP B 6 92.245 -22.029 26.672 1.00 0.00 C ATOM 920 C ASP B 6 92.998 -23.018 27.561 1.00 0.00 C ATOM 921 O ASP B 6 92.471 -23.540 28.521 1.00 0.00 O ATOM 922 CB ASP B 6 91.747 -22.743 25.412 1.00 0.00 C ATOM 923 CG ASP B 6 90.809 -21.815 24.638 1.00 0.00 C ATOM 924 OD1 ASP B 6 90.330 -20.863 25.228 1.00 0.00 O ATOM 925 OD2 ASP B 6 90.589 -22.073 23.466 1.00 0.00 O ATOM 0 H ASP B 6 93.332 -20.826 25.288 1.00 0.00 H new ATOM 0 HA ASP B 6 91.388 -21.622 27.209 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.592 -23.029 24.785 1.00 0.00 H new ATOM 0 HB3 ASP B 6 91.226 -23.661 25.683 1.00 0.00 H new ATOM 930 N LYS B 7 94.237 -23.272 27.241 1.00 0.00 N ATOM 931 CA LYS B 7 95.050 -24.218 28.054 1.00 0.00 C ATOM 932 C LYS B 7 95.188 -23.675 29.481 1.00 0.00 C ATOM 933 O LYS B 7 95.140 -24.415 30.444 1.00 0.00 O ATOM 934 CB LYS B 7 96.436 -24.360 27.424 1.00 0.00 C ATOM 935 CG LYS B 7 97.234 -25.427 28.175 1.00 0.00 C ATOM 936 CD LYS B 7 98.619 -25.566 27.542 1.00 0.00 C ATOM 937 CE LYS B 7 99.418 -26.636 28.288 1.00 0.00 C ATOM 938 NZ LYS B 7 99.713 -26.163 29.670 1.00 0.00 N ATOM 0 H LYS B 7 94.724 -22.861 26.445 1.00 0.00 H new ATOM 0 HA LYS B 7 94.561 -25.192 28.084 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.343 -24.634 26.373 1.00 0.00 H new ATOM 0 HB3 LYS B 7 96.962 -23.406 27.459 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.328 -25.154 29.226 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.709 -26.381 28.140 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.524 -25.836 26.490 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.145 -24.612 27.580 1.00 0.00 H new ATOM 0 HE2 LYS B 7 98.853 -27.568 28.324 1.00 0.00 H new ATOM 0 HE3 LYS B 7 100.347 -26.847 27.758 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 100.740 -26.187 29.833 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.367 -25.189 29.785 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 99.239 -26.783 30.358 1.00 0.00 H new ATOM 952 N ALA B 8 95.365 -22.390 29.622 1.00 0.00 N ATOM 953 CA ALA B 8 95.515 -21.801 30.982 1.00 0.00 C ATOM 954 C ALA B 8 94.276 -22.121 31.824 1.00 0.00 C ATOM 955 O ALA B 8 94.366 -22.328 33.018 1.00 0.00 O ATOM 956 CB ALA B 8 95.676 -20.283 30.862 1.00 0.00 C ATOM 0 H ALA B 8 95.412 -21.722 28.853 1.00 0.00 H new ATOM 0 HA ALA B 8 96.395 -22.225 31.465 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.786 -19.849 31.856 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.561 -20.057 30.267 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.796 -19.861 30.377 1.00 0.00 H new ATOM 962 N GLN B 9 93.118 -22.168 31.219 1.00 0.00 N ATOM 963 CA GLN B 9 91.888 -22.483 32.001 1.00 0.00 C ATOM 964 C GLN B 9 92.034 -23.867 32.638 1.00 0.00 C ATOM 965 O GLN B 9 91.655 -24.085 33.771 1.00 0.00 O ATOM 966 CB GLN B 9 90.674 -22.488 31.067 1.00 0.00 C ATOM 967 CG GLN B 9 90.367 -21.063 30.606 1.00 0.00 C ATOM 968 CD GLN B 9 89.208 -21.090 29.607 1.00 0.00 C ATOM 969 OE1 GLN B 9 89.078 -22.020 28.836 1.00 0.00 O ATOM 970 NE2 GLN B 9 88.354 -20.103 29.588 1.00 0.00 N ATOM 0 H GLN B 9 92.972 -22.003 30.223 1.00 0.00 H new ATOM 0 HA GLN B 9 91.750 -21.730 32.777 1.00 0.00 H new ATOM 0 HB2 GLN B 9 90.871 -23.124 30.204 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.810 -22.907 31.582 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.109 -20.440 31.462 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.250 -20.620 30.144 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.463 -19.322 30.235 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.578 -20.113 28.926 1.00 0.00 H new ATOM 979 N GLU B 10 92.581 -24.802 31.911 1.00 0.00 N ATOM 980 CA GLU B 10 92.758 -26.177 32.456 1.00 0.00 C ATOM 981 C GLU B 10 93.664 -26.136 33.689 1.00 0.00 C ATOM 982 O GLU B 10 93.447 -26.838 34.657 1.00 0.00 O ATOM 983 CB GLU B 10 93.390 -27.072 31.386 1.00 0.00 C ATOM 984 CG GLU B 10 92.381 -27.312 30.261 1.00 0.00 C ATOM 985 CD GLU B 10 91.247 -28.205 30.766 1.00 0.00 C ATOM 986 OE1 GLU B 10 91.501 -29.015 31.642 1.00 0.00 O ATOM 987 OE2 GLU B 10 90.142 -28.063 30.270 1.00 0.00 O ATOM 0 H GLU B 10 92.915 -24.671 30.956 1.00 0.00 H new ATOM 0 HA GLU B 10 91.785 -26.578 32.740 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.289 -26.602 30.988 1.00 0.00 H new ATOM 0 HB3 GLU B 10 93.694 -28.022 31.825 1.00 0.00 H new ATOM 0 HG2 GLU B 10 91.979 -26.361 29.911 1.00 0.00 H new ATOM 0 HG3 GLU B 10 92.875 -27.782 29.411 1.00 0.00 H new ATOM 994 N GLU B 11 94.695 -25.335 33.649 1.00 0.00 N ATOM 995 CA GLU B 11 95.644 -25.257 34.803 1.00 0.00 C ATOM 996 C GLU B 11 95.210 -24.159 35.781 1.00 0.00 C ATOM 997 O GLU B 11 95.857 -23.923 36.780 1.00 0.00 O ATOM 998 CB GLU B 11 97.041 -24.931 34.274 1.00 0.00 C ATOM 999 CG GLU B 11 97.498 -26.032 33.314 1.00 0.00 C ATOM 1000 CD GLU B 11 98.895 -25.702 32.787 1.00 0.00 C ATOM 1001 OE1 GLU B 11 99.353 -24.598 33.032 1.00 0.00 O ATOM 1002 OE2 GLU B 11 99.485 -26.561 32.152 1.00 0.00 O ATOM 0 H GLU B 11 94.924 -24.727 32.863 1.00 0.00 H new ATOM 0 HA GLU B 11 95.648 -26.213 35.326 1.00 0.00 H new ATOM 0 HB2 GLU B 11 97.031 -23.969 33.761 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.743 -24.843 35.103 1.00 0.00 H new ATOM 0 HG2 GLU B 11 97.509 -26.994 33.826 1.00 0.00 H new ATOM 0 HG3 GLU B 11 96.796 -26.120 32.485 1.00 0.00 H new ATOM 1009 N CYS B 12 94.129 -23.482 35.511 1.00 0.00 N ATOM 1010 CA CYS B 12 93.685 -22.403 36.442 1.00 0.00 C ATOM 1011 C CYS B 12 93.684 -22.932 37.881 1.00 0.00 C ATOM 1012 O CYS B 12 94.150 -22.279 38.792 1.00 0.00 O ATOM 1013 CB CYS B 12 92.275 -21.949 36.061 1.00 0.00 C ATOM 1014 SG CYS B 12 91.753 -20.618 37.170 1.00 0.00 S ATOM 0 H CYS B 12 93.537 -23.626 34.693 1.00 0.00 H new ATOM 0 HA CYS B 12 94.370 -21.558 36.370 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.259 -21.603 35.027 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.581 -22.787 36.128 1.00 0.00 H new ATOM 0 HG CYS B 12 90.654 -20.086 36.723 1.00 0.00 H new ATOM 1019 N GLU B 13 93.170 -24.113 38.090 1.00 0.00 N ATOM 1020 CA GLU B 13 93.145 -24.690 39.466 1.00 0.00 C ATOM 1021 C GLU B 13 94.574 -24.832 39.999 1.00 0.00 C ATOM 1022 O GLU B 13 94.828 -24.657 41.174 1.00 0.00 O ATOM 1023 CB GLU B 13 92.469 -26.063 39.443 1.00 0.00 C ATOM 1024 CG GLU B 13 90.970 -25.892 39.181 1.00 0.00 C ATOM 1025 CD GLU B 13 90.296 -27.265 39.157 1.00 0.00 C ATOM 1026 OE1 GLU B 13 91.010 -28.253 39.152 1.00 0.00 O ATOM 1027 OE2 GLU B 13 89.077 -27.305 39.153 1.00 0.00 O ATOM 0 H GLU B 13 92.765 -24.706 37.365 1.00 0.00 H new ATOM 0 HA GLU B 13 92.582 -24.022 40.118 1.00 0.00 H new ATOM 0 HB2 GLU B 13 92.915 -26.687 38.668 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.627 -26.573 40.393 1.00 0.00 H new ATOM 0 HG2 GLU B 13 90.523 -25.269 39.956 1.00 0.00 H new ATOM 0 HG3 GLU B 13 90.812 -25.381 38.231 1.00 0.00 H new ATOM 1034 N LYS B 14 95.505 -25.169 39.151 1.00 0.00 N ATOM 1035 CA LYS B 14 96.912 -25.344 39.615 1.00 0.00 C ATOM 1036 C LYS B 14 97.466 -24.009 40.119 1.00 0.00 C ATOM 1037 O LYS B 14 98.209 -23.964 41.081 1.00 0.00 O ATOM 1038 CB LYS B 14 97.769 -25.862 38.459 1.00 0.00 C ATOM 1039 CG LYS B 14 97.366 -27.307 38.152 1.00 0.00 C ATOM 1040 CD LYS B 14 98.161 -27.832 36.949 1.00 0.00 C ATOM 1041 CE LYS B 14 99.642 -28.017 37.317 1.00 0.00 C ATOM 1042 NZ LYS B 14 100.360 -26.724 37.146 1.00 0.00 N ATOM 0 H LYS B 14 95.354 -25.331 38.155 1.00 0.00 H new ATOM 0 HA LYS B 14 96.935 -26.065 40.432 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.630 -25.236 37.577 1.00 0.00 H new ATOM 0 HB3 LYS B 14 98.826 -25.813 38.722 1.00 0.00 H new ATOM 0 HG2 LYS B 14 97.550 -27.937 39.022 1.00 0.00 H new ATOM 0 HG3 LYS B 14 96.298 -27.358 37.942 1.00 0.00 H new ATOM 0 HD2 LYS B 14 97.742 -28.782 36.616 1.00 0.00 H new ATOM 0 HD3 LYS B 14 98.072 -27.135 36.116 1.00 0.00 H new ATOM 0 HE2 LYS B 14 99.732 -28.362 38.347 1.00 0.00 H new ATOM 0 HE3 LYS B 14 100.092 -28.782 36.684 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 101.191 -26.866 36.537 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 99.723 -26.029 36.706 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 100.668 -26.372 38.075 1.00 0.00 H new ATOM 1056 N TYR B 15 97.118 -22.919 39.487 1.00 0.00 N ATOM 1057 CA TYR B 15 97.635 -21.594 39.948 1.00 0.00 C ATOM 1058 C TYR B 15 96.695 -21.034 41.018 1.00 0.00 C ATOM 1059 O TYR B 15 97.017 -20.084 41.702 1.00 0.00 O ATOM 1060 CB TYR B 15 97.706 -20.626 38.766 1.00 0.00 C ATOM 1061 CG TYR B 15 98.810 -21.065 37.833 1.00 0.00 C ATOM 1062 CD1 TYR B 15 100.120 -20.617 38.040 1.00 0.00 C ATOM 1063 CD2 TYR B 15 98.524 -21.930 36.771 1.00 0.00 C ATOM 1064 CE1 TYR B 15 101.144 -21.032 37.182 1.00 0.00 C ATOM 1065 CE2 TYR B 15 99.549 -22.346 35.913 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.859 -21.897 36.118 1.00 0.00 C ATOM 1067 OH TYR B 15 101.869 -22.308 35.273 1.00 0.00 O ATOM 0 H TYR B 15 96.501 -22.887 38.675 1.00 0.00 H new ATOM 0 HA TYR B 15 98.634 -21.717 40.366 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.753 -20.607 38.238 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.894 -19.613 39.121 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.340 -19.951 38.862 1.00 0.00 H new ATOM 0 HD2 TYR B 15 97.513 -22.276 36.613 1.00 0.00 H new ATOM 0 HE1 TYR B 15 102.155 -20.685 37.340 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.329 -23.013 35.093 1.00 0.00 H new ATOM 0 HH TYR B 15 102.058 -21.601 34.621 1.00 0.00 H new ATOM 1077 N HIS B 16 95.540 -21.626 41.166 1.00 0.00 N ATOM 1078 CA HIS B 16 94.569 -21.155 42.199 1.00 0.00 C ATOM 1079 C HIS B 16 94.219 -19.683 41.958 1.00 0.00 C ATOM 1080 O HIS B 16 94.014 -19.256 40.840 1.00 0.00 O ATOM 1081 CB HIS B 16 95.172 -21.329 43.599 1.00 0.00 C ATOM 1082 CG HIS B 16 95.561 -22.769 43.796 1.00 0.00 C ATOM 1083 ND1 HIS B 16 96.840 -23.233 43.522 1.00 0.00 N ATOM 1084 CD2 HIS B 16 94.850 -23.860 44.231 1.00 0.00 C ATOM 1085 CE1 HIS B 16 96.859 -24.552 43.792 1.00 0.00 C ATOM 1086 NE2 HIS B 16 95.673 -24.981 44.226 1.00 0.00 N ATOM 0 H HIS B 16 95.224 -22.422 40.612 1.00 0.00 H new ATOM 0 HA HIS B 16 93.658 -21.750 42.128 1.00 0.00 H new ATOM 0 HB2 HIS B 16 96.044 -20.685 43.715 1.00 0.00 H new ATOM 0 HB3 HIS B 16 94.451 -21.028 44.359 1.00 0.00 H new ATOM 0 HD2 HIS B 16 93.812 -23.849 44.531 1.00 0.00 H new ATOM 0 HE1 HIS B 16 97.727 -25.184 43.672 1.00 0.00 H new ATOM 0 HE2 HIS B 16 95.422 -25.932 44.497 1.00 0.00 H new ATOM 1095 N SER B 17 94.136 -18.908 43.007 1.00 0.00 N ATOM 1096 CA SER B 17 93.783 -17.467 42.854 1.00 0.00 C ATOM 1097 C SER B 17 95.034 -16.654 42.505 1.00 0.00 C ATOM 1098 O SER B 17 94.970 -15.454 42.326 1.00 0.00 O ATOM 1099 CB SER B 17 93.197 -16.950 44.169 1.00 0.00 C ATOM 1100 OG SER B 17 93.165 -15.529 44.142 1.00 0.00 O ATOM 0 H SER B 17 94.298 -19.213 43.967 1.00 0.00 H new ATOM 0 HA SER B 17 93.052 -17.361 42.053 1.00 0.00 H new ATOM 0 HB2 SER B 17 92.191 -17.345 44.313 1.00 0.00 H new ATOM 0 HB3 SER B 17 93.799 -17.296 45.010 1.00 0.00 H new ATOM 0 HG SER B 17 93.503 -15.211 43.279 1.00 0.00 H new ATOM 1106 N ASN B 18 96.171 -17.291 42.413 1.00 0.00 N ATOM 1107 CA ASN B 18 97.416 -16.536 42.084 1.00 0.00 C ATOM 1108 C ASN B 18 97.486 -16.293 40.575 1.00 0.00 C ATOM 1109 O ASN B 18 98.224 -16.947 39.864 1.00 0.00 O ATOM 1110 CB ASN B 18 98.636 -17.354 42.511 1.00 0.00 C ATOM 1111 CG ASN B 18 98.695 -17.438 44.036 1.00 0.00 C ATOM 1112 OD1 ASN B 18 98.097 -16.635 44.726 1.00 0.00 O ATOM 1113 ND2 ASN B 18 99.401 -18.382 44.596 1.00 0.00 N ATOM 0 H ASN B 18 96.292 -18.294 42.550 1.00 0.00 H new ATOM 0 HA ASN B 18 97.406 -15.582 42.611 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.581 -18.356 42.084 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.546 -16.893 42.127 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.451 -18.446 45.613 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.903 -19.055 44.017 1.00 0.00 H new ATOM 1120 N TRP B 19 96.728 -15.354 40.081 1.00 0.00 N ATOM 1121 CA TRP B 19 96.755 -15.066 38.619 1.00 0.00 C ATOM 1122 C TRP B 19 98.090 -14.416 38.241 1.00 0.00 C ATOM 1123 O TRP B 19 98.547 -14.524 37.121 1.00 0.00 O ATOM 1124 CB TRP B 19 95.597 -14.128 38.263 1.00 0.00 C ATOM 1125 CG TRP B 19 95.726 -12.844 39.022 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.216 -12.621 40.255 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.385 -11.607 38.621 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.521 -11.328 40.638 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.241 -10.662 39.665 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.087 -11.216 37.467 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 96.774 -9.376 39.567 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 97.625 -9.923 37.365 1.00 0.00 C ATOM 1133 CH2 TRP B 19 97.469 -9.004 38.413 1.00 0.00 C ATOM 0 H TRP B 19 96.091 -14.773 40.626 1.00 0.00 H new ATOM 0 HA TRP B 19 96.647 -15.998 38.064 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.596 -13.928 37.191 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.646 -14.605 38.499 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.661 -13.336 40.844 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.248 -10.916 41.530 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.213 -11.915 36.653 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 96.650 -8.673 40.377 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.162 -9.634 36.474 1.00 0.00 H new ATOM 0 HH2 TRP B 19 97.885 -8.011 38.328 1.00 0.00 H new ATOM 1144 N ARG B 20 98.716 -13.739 39.164 1.00 0.00 N ATOM 1145 CA ARG B 20 100.018 -13.082 38.855 1.00 0.00 C ATOM 1146 C ARG B 20 101.045 -14.128 38.419 1.00 0.00 C ATOM 1147 O ARG B 20 101.821 -13.909 37.509 1.00 0.00 O ATOM 1148 CB ARG B 20 100.521 -12.361 40.105 1.00 0.00 C ATOM 1149 CG ARG B 20 99.625 -11.151 40.380 1.00 0.00 C ATOM 1150 CD ARG B 20 100.114 -10.416 41.630 1.00 0.00 C ATOM 1151 NE ARG B 20 99.222 -9.251 41.891 1.00 0.00 N ATOM 1152 CZ ARG B 20 99.269 -8.632 43.039 1.00 0.00 C ATOM 1153 NH1 ARG B 20 100.107 -9.025 43.960 1.00 0.00 N ATOM 1154 NH2 ARG B 20 98.480 -7.618 43.268 1.00 0.00 N ATOM 0 H ARG B 20 98.382 -13.612 40.119 1.00 0.00 H new ATOM 0 HA ARG B 20 99.879 -12.367 38.044 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.511 -13.038 40.959 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.553 -12.040 39.964 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.636 -10.477 39.523 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.593 -11.475 40.518 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.113 -11.090 42.487 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.141 -10.079 41.490 1.00 0.00 H new ATOM 0 HE ARG B 20 98.573 -8.936 41.170 1.00 0.00 H new ATOM 0 HH11 ARG B 20 100.726 -9.816 43.783 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.143 -8.541 44.857 1.00 0.00 H new ATOM 0 HH21 ARG B 20 97.826 -7.308 42.549 1.00 0.00 H new ATOM 0 HH22 ARG B 20 98.518 -7.135 44.166 1.00 0.00 H new ATOM 1168 N ALA B 21 101.058 -15.266 39.056 1.00 0.00 N ATOM 1169 CA ALA B 21 102.038 -16.320 38.671 1.00 0.00 C ATOM 1170 C ALA B 21 101.707 -16.834 37.268 1.00 0.00 C ATOM 1171 O ALA B 21 102.580 -17.041 36.449 1.00 0.00 O ATOM 1172 CB ALA B 21 101.960 -17.476 39.673 1.00 0.00 C ATOM 0 H ALA B 21 100.434 -15.511 39.825 1.00 0.00 H new ATOM 0 HA ALA B 21 103.045 -15.903 38.676 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.676 -18.249 39.394 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.194 -17.108 40.672 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.954 -17.895 39.668 1.00 0.00 H new ATOM 1178 N MET B 22 100.450 -17.037 36.985 1.00 0.00 N ATOM 1179 CA MET B 22 100.057 -17.531 35.636 1.00 0.00 C ATOM 1180 C MET B 22 100.446 -16.497 34.576 1.00 0.00 C ATOM 1181 O MET B 22 100.915 -16.833 33.509 1.00 0.00 O ATOM 1182 CB MET B 22 98.545 -17.760 35.612 1.00 0.00 C ATOM 1183 CG MET B 22 98.127 -18.326 34.253 1.00 0.00 C ATOM 1184 SD MET B 22 96.422 -18.929 34.350 1.00 0.00 S ATOM 1185 CE MET B 22 95.619 -17.343 34.687 1.00 0.00 C ATOM 0 H MET B 22 99.677 -16.882 37.632 1.00 0.00 H new ATOM 0 HA MET B 22 100.571 -18.468 35.420 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.260 -18.450 36.406 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.023 -16.822 35.802 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.209 -17.556 33.486 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.795 -19.137 33.964 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.554 -17.421 34.471 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.758 -17.080 35.736 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.061 -16.570 34.058 1.00 0.00 H new ATOM 1195 N ALA B 23 100.259 -15.238 34.859 1.00 0.00 N ATOM 1196 CA ALA B 23 100.620 -14.190 33.860 1.00 0.00 C ATOM 1197 C ALA B 23 102.111 -14.294 33.522 1.00 0.00 C ATOM 1198 O ALA B 23 102.509 -14.147 32.383 1.00 0.00 O ATOM 1199 CB ALA B 23 100.327 -12.807 34.446 1.00 0.00 C ATOM 0 H ALA B 23 99.873 -14.889 35.736 1.00 0.00 H new ATOM 0 HA ALA B 23 100.032 -14.335 32.954 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.590 -12.040 33.718 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.267 -12.731 34.686 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.915 -12.664 35.352 1.00 0.00 H new ATOM 1205 N SER B 24 102.937 -14.544 34.502 1.00 0.00 N ATOM 1206 CA SER B 24 104.401 -14.653 34.240 1.00 0.00 C ATOM 1207 C SER B 24 104.692 -15.913 33.422 1.00 0.00 C ATOM 1208 O SER B 24 105.591 -15.941 32.606 1.00 0.00 O ATOM 1209 CB SER B 24 105.153 -14.729 35.570 1.00 0.00 C ATOM 1210 OG SER B 24 106.552 -14.723 35.318 1.00 0.00 O ATOM 0 H SER B 24 102.660 -14.678 35.475 1.00 0.00 H new ATOM 0 HA SER B 24 104.730 -13.777 33.681 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.882 -13.884 36.203 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.872 -15.634 36.109 1.00 0.00 H new ATOM 0 HG SER B 24 107.038 -14.770 36.168 1.00 0.00 H new ATOM 1216 N ASP B 25 103.949 -16.960 33.644 1.00 0.00 N ATOM 1217 CA ASP B 25 104.195 -18.223 32.890 1.00 0.00 C ATOM 1218 C ASP B 25 103.800 -18.033 31.429 1.00 0.00 C ATOM 1219 O ASP B 25 104.498 -18.445 30.524 1.00 0.00 O ATOM 1220 CB ASP B 25 103.337 -19.337 33.489 1.00 0.00 C ATOM 1221 CG ASP B 25 103.799 -20.688 32.942 1.00 0.00 C ATOM 1222 OD1 ASP B 25 104.607 -20.690 32.029 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.332 -21.699 33.441 1.00 0.00 O ATOM 0 H ASP B 25 103.181 -16.997 34.315 1.00 0.00 H new ATOM 0 HA ASP B 25 105.252 -18.483 32.955 1.00 0.00 H new ATOM 0 HB2 ASP B 25 103.416 -19.327 34.576 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.287 -19.173 33.244 1.00 0.00 H new ATOM 1228 N PHE B 26 102.680 -17.411 31.196 1.00 0.00 N ATOM 1229 CA PHE B 26 102.218 -17.184 29.793 1.00 0.00 C ATOM 1230 C PHE B 26 102.665 -15.793 29.330 1.00 0.00 C ATOM 1231 O PHE B 26 102.415 -15.391 28.212 1.00 0.00 O ATOM 1232 CB PHE B 26 100.691 -17.277 29.744 1.00 0.00 C ATOM 1233 CG PHE B 26 100.261 -18.712 29.966 1.00 0.00 C ATOM 1234 CD1 PHE B 26 100.039 -19.184 31.265 1.00 0.00 C ATOM 1235 CD2 PHE B 26 100.077 -19.568 28.872 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.635 -20.508 31.471 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.674 -20.891 29.078 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.453 -21.362 30.378 1.00 0.00 C ATOM 0 H PHE B 26 102.059 -17.047 31.918 1.00 0.00 H new ATOM 0 HA PHE B 26 102.649 -17.939 29.136 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.253 -16.634 30.507 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.326 -16.923 28.780 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.180 -18.526 32.109 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.247 -19.206 27.869 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.464 -20.870 32.474 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.533 -21.550 28.234 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.142 -22.384 30.537 1.00 0.00 H new ATOM 1248 N ASN B 27 103.335 -15.060 30.179 1.00 0.00 N ATOM 1249 CA ASN B 27 103.806 -13.701 29.788 1.00 0.00 C ATOM 1250 C ASN B 27 102.641 -12.891 29.219 1.00 0.00 C ATOM 1251 O ASN B 27 102.753 -12.281 28.174 1.00 0.00 O ATOM 1252 CB ASN B 27 104.905 -13.826 28.730 1.00 0.00 C ATOM 1253 CG ASN B 27 106.098 -14.574 29.325 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.534 -14.244 30.509 1.00 0.00 O flip ATOM 1255 ND2 ASN B 27 106.639 -15.468 28.706 1.00 0.00 N flip ATOM 0 H ASN B 27 103.576 -15.345 31.128 1.00 0.00 H new ATOM 0 HA ASN B 27 104.201 -13.192 30.667 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.526 -14.358 27.857 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.214 -12.837 28.391 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.298 -15.726 27.780 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.434 -15.961 29.112 1.00 0.00 H new ATOM 1262 N LEU B 28 101.524 -12.877 29.906 1.00 0.00 N ATOM 1263 CA LEU B 28 100.333 -12.103 29.424 1.00 0.00 C ATOM 1264 C LEU B 28 100.025 -10.982 30.426 1.00 0.00 C ATOM 1265 O LEU B 28 100.291 -11.118 31.604 1.00 0.00 O ATOM 1266 CB LEU B 28 99.123 -13.038 29.346 1.00 0.00 C ATOM 1267 CG LEU B 28 99.279 -14.021 28.174 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.329 -15.206 28.374 1.00 0.00 C ATOM 1269 CD2 LEU B 28 98.943 -13.327 26.841 1.00 0.00 C ATOM 0 H LEU B 28 101.384 -13.372 30.787 1.00 0.00 H new ATOM 0 HA LEU B 28 100.543 -11.681 28.441 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.021 -13.590 30.280 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.212 -12.454 29.220 1.00 0.00 H new ATOM 0 HG LEU B 28 100.312 -14.369 28.144 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.438 -15.904 27.544 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.571 -15.713 29.308 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.301 -14.846 28.412 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.059 -14.037 26.022 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.914 -12.967 26.867 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.618 -12.485 26.689 1.00 0.00 H new ATOM 1281 N PRO B 29 99.462 -9.882 29.975 1.00 0.00 N ATOM 1282 CA PRO B 29 99.122 -8.740 30.873 1.00 0.00 C ATOM 1283 C PRO B 29 97.898 -9.048 31.760 1.00 0.00 C ATOM 1284 O PRO B 29 97.050 -9.836 31.392 1.00 0.00 O ATOM 1285 CB PRO B 29 98.812 -7.598 29.896 1.00 0.00 C ATOM 1286 CG PRO B 29 98.316 -8.282 28.665 1.00 0.00 C ATOM 1287 CD PRO B 29 99.090 -9.599 28.575 1.00 0.00 C ATOM 0 HA PRO B 29 99.928 -8.508 31.570 1.00 0.00 H new ATOM 0 HB2 PRO B 29 98.061 -6.920 30.303 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.700 -7.002 29.688 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.243 -8.463 28.725 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.487 -7.667 27.781 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.477 -10.396 28.155 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.970 -9.504 27.938 1.00 0.00 H new ATOM 1295 N PRO B 30 97.801 -8.428 32.914 1.00 0.00 N ATOM 1296 CA PRO B 30 96.656 -8.641 33.849 1.00 0.00 C ATOM 1297 C PRO B 30 95.297 -8.733 33.138 1.00 0.00 C ATOM 1298 O PRO B 30 94.367 -9.332 33.641 1.00 0.00 O ATOM 1299 CB PRO B 30 96.698 -7.395 34.744 1.00 0.00 C ATOM 1300 CG PRO B 30 98.138 -6.989 34.785 1.00 0.00 C ATOM 1301 CD PRO B 30 98.769 -7.458 33.464 1.00 0.00 C ATOM 0 HA PRO B 30 96.752 -9.586 34.383 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.076 -6.598 34.338 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.322 -7.615 35.743 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.232 -5.909 34.896 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.644 -7.443 35.638 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.926 -6.623 32.781 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.742 -7.920 33.631 1.00 0.00 H new ATOM 1309 N VAL B 31 95.162 -8.123 31.994 1.00 0.00 N ATOM 1310 CA VAL B 31 93.845 -8.160 31.293 1.00 0.00 C ATOM 1311 C VAL B 31 93.441 -9.604 30.978 1.00 0.00 C ATOM 1312 O VAL B 31 92.334 -10.020 31.259 1.00 0.00 O ATOM 1313 CB VAL B 31 93.937 -7.358 29.985 1.00 0.00 C ATOM 1314 CG1 VAL B 31 92.675 -7.589 29.132 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.063 -5.869 30.320 1.00 0.00 C ATOM 0 H VAL B 31 95.899 -7.604 31.516 1.00 0.00 H new ATOM 0 HA VAL B 31 93.091 -7.720 31.945 1.00 0.00 H new ATOM 0 HB VAL B 31 94.809 -7.687 29.420 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.751 -7.016 28.208 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.585 -8.649 28.895 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.795 -7.265 29.688 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.129 -5.293 29.397 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.189 -5.548 30.886 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.961 -5.705 30.915 1.00 0.00 H new ATOM 1325 N VAL B 32 94.316 -10.369 30.391 1.00 0.00 N ATOM 1326 CA VAL B 32 93.956 -11.774 30.054 1.00 0.00 C ATOM 1327 C VAL B 32 93.969 -12.635 31.317 1.00 0.00 C ATOM 1328 O VAL B 32 93.122 -13.484 31.507 1.00 0.00 O ATOM 1329 CB VAL B 32 94.963 -12.337 29.053 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.567 -13.767 28.681 1.00 0.00 C ATOM 1331 CG2 VAL B 32 94.978 -11.465 27.797 1.00 0.00 C ATOM 0 H VAL B 32 95.260 -10.085 30.131 1.00 0.00 H new ATOM 0 HA VAL B 32 92.957 -11.787 29.618 1.00 0.00 H new ATOM 0 HB VAL B 32 95.957 -12.341 29.501 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.285 -14.169 27.967 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.560 -14.387 29.577 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.573 -13.765 28.234 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.697 -11.867 27.083 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.985 -11.458 27.347 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.263 -10.447 28.064 1.00 0.00 H new ATOM 1341 N ALA B 33 94.930 -12.436 32.177 1.00 0.00 N ATOM 1342 CA ALA B 33 94.998 -13.261 33.415 1.00 0.00 C ATOM 1343 C ALA B 33 93.723 -13.062 34.233 1.00 0.00 C ATOM 1344 O ALA B 33 93.070 -14.011 34.624 1.00 0.00 O ATOM 1345 CB ALA B 33 96.212 -12.829 34.239 1.00 0.00 C ATOM 0 H ALA B 33 95.669 -11.740 32.076 1.00 0.00 H new ATOM 0 HA ALA B 33 95.092 -14.314 33.150 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.268 -13.429 35.147 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.120 -12.973 33.653 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.115 -11.776 34.505 1.00 0.00 H new ATOM 1351 N LYS B 34 93.354 -11.841 34.484 1.00 0.00 N ATOM 1352 CA LYS B 34 92.110 -11.584 35.260 1.00 0.00 C ATOM 1353 C LYS B 34 90.910 -12.185 34.523 1.00 0.00 C ATOM 1354 O LYS B 34 90.015 -12.744 35.125 1.00 0.00 O ATOM 1355 CB LYS B 34 91.913 -10.076 35.434 1.00 0.00 C ATOM 1356 CG LYS B 34 92.949 -9.536 36.423 1.00 0.00 C ATOM 1357 CD LYS B 34 92.759 -8.029 36.602 1.00 0.00 C ATOM 1358 CE LYS B 34 93.720 -7.518 37.678 1.00 0.00 C ATOM 1359 NZ LYS B 34 93.585 -6.039 37.806 1.00 0.00 N ATOM 0 H LYS B 34 93.860 -11.007 34.186 1.00 0.00 H new ATOM 0 HA LYS B 34 92.195 -12.048 36.243 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.015 -9.572 34.473 1.00 0.00 H new ATOM 0 HB3 LYS B 34 90.906 -9.870 35.797 1.00 0.00 H new ATOM 0 HG2 LYS B 34 92.846 -10.041 37.383 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.955 -9.744 36.059 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.944 -7.514 35.659 1.00 0.00 H new ATOM 0 HD3 LYS B 34 91.729 -7.813 36.887 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.502 -7.997 38.632 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.746 -7.779 37.417 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.238 -5.693 38.537 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 93.814 -5.590 36.896 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.609 -5.801 38.074 1.00 0.00 H new ATOM 1373 N GLU B 35 90.883 -12.067 33.224 1.00 0.00 N ATOM 1374 CA GLU B 35 89.735 -12.620 32.448 1.00 0.00 C ATOM 1375 C GLU B 35 89.638 -14.132 32.660 1.00 0.00 C ATOM 1376 O GLU B 35 88.559 -14.676 32.796 1.00 0.00 O ATOM 1377 CB GLU B 35 89.942 -12.337 30.956 1.00 0.00 C ATOM 1378 CG GLU B 35 88.707 -12.788 30.163 1.00 0.00 C ATOM 1379 CD GLU B 35 88.732 -14.308 29.958 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.800 -14.889 30.067 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.679 -14.866 29.698 1.00 0.00 O ATOM 0 H GLU B 35 91.605 -11.612 32.666 1.00 0.00 H new ATOM 0 HA GLU B 35 88.815 -12.147 32.792 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.117 -11.273 30.800 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.827 -12.862 30.597 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.800 -12.501 30.695 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.683 -12.284 29.197 1.00 0.00 H new ATOM 1388 N ILE B 36 90.746 -14.821 32.689 1.00 0.00 N ATOM 1389 CA ILE B 36 90.684 -16.296 32.892 1.00 0.00 C ATOM 1390 C ILE B 36 90.030 -16.571 34.247 1.00 0.00 C ATOM 1391 O ILE B 36 89.195 -17.444 34.381 1.00 0.00 O ATOM 1392 CB ILE B 36 92.099 -16.876 32.855 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.671 -16.728 31.442 1.00 0.00 C ATOM 1394 CG2 ILE B 36 92.053 -18.359 33.220 1.00 0.00 C ATOM 1395 CD1 ILE B 36 94.162 -17.071 31.455 1.00 0.00 C ATOM 0 H ILE B 36 91.683 -14.431 32.582 1.00 0.00 H new ATOM 0 HA ILE B 36 90.097 -16.765 32.102 1.00 0.00 H new ATOM 0 HB ILE B 36 92.727 -16.341 33.567 1.00 0.00 H new ATOM 0 HG12 ILE B 36 92.142 -17.387 30.753 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.525 -15.709 31.084 1.00 0.00 H new ATOM 0 HG21 ILE B 36 93.062 -18.772 33.193 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.640 -18.474 34.222 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.425 -18.890 32.505 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.568 -16.965 30.449 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.685 -16.394 32.131 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.296 -18.098 31.795 1.00 0.00 H new ATOM 1407 N VAL B 37 90.380 -15.807 35.246 1.00 0.00 N ATOM 1408 CA VAL B 37 89.753 -15.995 36.585 1.00 0.00 C ATOM 1409 C VAL B 37 88.272 -15.625 36.483 1.00 0.00 C ATOM 1410 O VAL B 37 87.418 -16.271 37.055 1.00 0.00 O ATOM 1411 CB VAL B 37 90.452 -15.088 37.608 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.649 -15.057 38.918 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.857 -15.633 37.886 1.00 0.00 C ATOM 0 H VAL B 37 91.073 -15.061 35.193 1.00 0.00 H new ATOM 0 HA VAL B 37 89.853 -17.031 36.908 1.00 0.00 H new ATOM 0 HB VAL B 37 90.518 -14.077 37.207 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.152 -14.411 39.638 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.648 -14.672 38.722 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.576 -16.066 39.324 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.358 -14.993 38.612 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.783 -16.645 38.285 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.431 -15.650 36.959 1.00 0.00 H new ATOM 1423 N ALA B 38 87.968 -14.585 35.757 1.00 0.00 N ATOM 1424 CA ALA B 38 86.548 -14.155 35.607 1.00 0.00 C ATOM 1425 C ALA B 38 85.721 -15.291 34.998 1.00 0.00 C ATOM 1426 O ALA B 38 84.512 -15.322 35.120 1.00 0.00 O ATOM 1427 CB ALA B 38 86.481 -12.929 34.693 1.00 0.00 C ATOM 0 H ALA B 38 88.647 -14.010 35.258 1.00 0.00 H new ATOM 0 HA ALA B 38 86.144 -13.904 36.588 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.443 -12.614 34.583 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.062 -12.117 35.130 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.889 -13.182 33.715 1.00 0.00 H new ATOM 1433 N SER B 39 86.357 -16.224 34.339 1.00 0.00 N ATOM 1434 CA SER B 39 85.593 -17.349 33.723 1.00 0.00 C ATOM 1435 C SER B 39 85.424 -18.460 34.757 1.00 0.00 C ATOM 1436 O SER B 39 84.342 -18.976 34.956 1.00 0.00 O ATOM 1437 CB SER B 39 86.364 -17.886 32.516 1.00 0.00 C ATOM 1438 OG SER B 39 86.320 -16.926 31.468 1.00 0.00 O ATOM 0 H SER B 39 87.367 -16.256 34.201 1.00 0.00 H new ATOM 0 HA SER B 39 84.614 -16.997 33.398 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.398 -18.093 32.793 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.929 -18.828 32.181 1.00 0.00 H new ATOM 0 HG SER B 39 86.814 -17.265 30.693 1.00 0.00 H new ATOM 1444 N CYS B 40 86.478 -18.819 35.431 1.00 0.00 N ATOM 1445 CA CYS B 40 86.363 -19.880 36.467 1.00 0.00 C ATOM 1446 C CYS B 40 85.356 -19.416 37.525 1.00 0.00 C ATOM 1447 O CYS B 40 85.436 -18.312 38.025 1.00 0.00 O ATOM 1448 CB CYS B 40 87.734 -20.116 37.106 1.00 0.00 C ATOM 1449 SG CYS B 40 87.799 -21.782 37.811 1.00 0.00 S ATOM 0 H CYS B 40 87.411 -18.425 35.310 1.00 0.00 H new ATOM 0 HA CYS B 40 86.021 -20.814 36.021 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.519 -19.995 36.360 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.916 -19.374 37.884 1.00 0.00 H new ATOM 0 HG CYS B 40 88.965 -21.980 38.351 1.00 0.00 H new ATOM 1454 N ASP B 41 84.401 -20.237 37.859 1.00 0.00 N ATOM 1455 CA ASP B 41 83.386 -19.821 38.869 1.00 0.00 C ATOM 1456 C ASP B 41 83.959 -19.950 40.286 1.00 0.00 C ATOM 1457 O ASP B 41 83.557 -19.245 41.190 1.00 0.00 O ATOM 1458 CB ASP B 41 82.155 -20.720 38.740 1.00 0.00 C ATOM 1459 CG ASP B 41 81.426 -20.407 37.430 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.638 -19.330 36.899 1.00 0.00 O ATOM 1461 OD2 ASP B 41 80.672 -21.254 36.980 1.00 0.00 O ATOM 0 H ASP B 41 84.278 -21.175 37.479 1.00 0.00 H new ATOM 0 HA ASP B 41 83.113 -18.781 38.692 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.454 -21.768 38.760 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.487 -20.563 39.587 1.00 0.00 H new ATOM 1466 N LYS B 42 84.875 -20.857 40.496 1.00 0.00 N ATOM 1467 CA LYS B 42 85.442 -21.036 41.866 1.00 0.00 C ATOM 1468 C LYS B 42 86.397 -19.886 42.218 1.00 0.00 C ATOM 1469 O LYS B 42 86.350 -19.348 43.307 1.00 0.00 O ATOM 1470 CB LYS B 42 86.207 -22.361 41.927 1.00 0.00 C ATOM 1471 CG LYS B 42 85.240 -23.526 41.698 1.00 0.00 C ATOM 1472 CD LYS B 42 86.010 -24.848 41.760 1.00 0.00 C ATOM 1473 CE LYS B 42 85.046 -26.014 41.531 1.00 0.00 C ATOM 1474 NZ LYS B 42 85.823 -27.272 41.341 1.00 0.00 N ATOM 0 H LYS B 42 85.254 -21.479 39.783 1.00 0.00 H new ATOM 0 HA LYS B 42 84.621 -21.040 42.583 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.992 -22.374 41.171 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.695 -22.466 42.896 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.455 -23.515 42.454 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.752 -23.422 40.729 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.796 -24.859 41.005 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.498 -24.951 42.729 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.372 -26.115 42.382 1.00 0.00 H new ATOM 0 HE3 LYS B 42 84.427 -25.821 40.655 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 85.168 -28.065 41.185 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 86.448 -27.173 40.516 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 86.396 -27.458 42.189 1.00 0.00 H new ATOM 1488 N CYS B 43 87.267 -19.508 41.319 1.00 0.00 N ATOM 1489 CA CYS B 43 88.220 -18.400 41.630 1.00 0.00 C ATOM 1490 C CYS B 43 87.504 -17.053 41.531 1.00 0.00 C ATOM 1491 O CYS B 43 87.875 -16.095 42.179 1.00 0.00 O ATOM 1492 CB CYS B 43 89.393 -18.435 40.649 1.00 0.00 C ATOM 1493 SG CYS B 43 90.319 -19.975 40.877 1.00 0.00 S ATOM 0 H CYS B 43 87.360 -19.915 40.388 1.00 0.00 H new ATOM 0 HA CYS B 43 88.597 -18.530 42.645 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.027 -18.365 39.625 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.045 -17.577 40.814 1.00 0.00 H new ATOM 0 HG CYS B 43 91.316 -20.010 40.043 1.00 0.00 H new ATOM 1498 N GLN B 44 86.480 -16.970 40.730 1.00 0.00 N ATOM 1499 CA GLN B 44 85.740 -15.684 40.596 1.00 0.00 C ATOM 1500 C GLN B 44 84.801 -15.528 41.790 1.00 0.00 C ATOM 1501 O GLN B 44 85.002 -14.693 42.648 1.00 0.00 O ATOM 1502 CB GLN B 44 84.928 -15.691 39.298 1.00 0.00 C ATOM 1503 CG GLN B 44 84.233 -14.341 39.111 1.00 0.00 C ATOM 1504 CD GLN B 44 83.428 -14.368 37.810 1.00 0.00 C ATOM 1505 OE1 GLN B 44 82.710 -15.313 37.547 1.00 0.00 O ATOM 1506 NE2 GLN B 44 83.517 -13.366 36.978 1.00 0.00 N ATOM 0 H GLN B 44 86.122 -17.738 40.161 1.00 0.00 H new ATOM 0 HA GLN B 44 86.444 -14.853 40.570 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.583 -15.893 38.450 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.187 -16.490 39.326 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.575 -14.136 39.956 1.00 0.00 H new ATOM 0 HG3 GLN B 44 84.971 -13.539 39.080 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.119 -12.573 37.198 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.984 -13.376 36.108 1.00 0.00 H new ATOM 1515 N LEU B 45 83.777 -16.331 41.852 1.00 0.00 N ATOM 1516 CA LEU B 45 82.823 -16.235 42.990 1.00 0.00 C ATOM 1517 C LEU B 45 83.415 -16.950 44.204 1.00 0.00 C ATOM 1518 O LEU B 45 84.274 -17.801 44.079 1.00 0.00 O ATOM 1519 CB LEU B 45 81.504 -16.915 42.616 1.00 0.00 C ATOM 1520 CG LEU B 45 80.891 -16.249 41.379 1.00 0.00 C ATOM 1521 CD1 LEU B 45 79.581 -16.963 41.032 1.00 0.00 C ATOM 1522 CD2 LEU B 45 80.609 -14.762 41.661 1.00 0.00 C ATOM 0 H LEU B 45 83.559 -17.051 41.163 1.00 0.00 H new ATOM 0 HA LEU B 45 82.644 -15.185 43.221 1.00 0.00 H new ATOM 0 HB2 LEU B 45 81.676 -17.973 42.419 1.00 0.00 H new ATOM 0 HB3 LEU B 45 80.807 -16.855 43.452 1.00 0.00 H new ATOM 0 HG LEU B 45 81.589 -16.320 40.545 1.00 0.00 H new ATOM 0 HD11 LEU B 45 79.135 -16.498 40.153 1.00 0.00 H new ATOM 0 HD12 LEU B 45 79.783 -18.014 40.823 1.00 0.00 H new ATOM 0 HD13 LEU B 45 78.891 -16.886 41.872 1.00 0.00 H new ATOM 0 HD21 LEU B 45 80.174 -14.300 40.775 1.00 0.00 H new ATOM 0 HD22 LEU B 45 79.912 -14.676 42.495 1.00 0.00 H new ATOM 0 HD23 LEU B 45 81.541 -14.256 41.913 1.00 0.00 H new