USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 816 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 Single : A 1 PHE N :NH3+ -103:sc= 1.03 (180deg=0.398) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 145:sc= -0.118 (180deg=-0.754) USER MOD Single : A 15 TYR OH : rot -11:sc= 0.195 USER MOD Single : A 16 HIS : no HE2:sc= -1.94 K(o=-1.9,f=-3.6!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0515 K(o=-0.051,f=-1.8!) USER MOD Single : A 22 MET CE :methyl 159:sc= -0.337 (180deg=-1.61!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.261 F(o=-1.1,f=-0.26) USER MOD Single : A 34 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.00966) USER MOD Single : A 39 SER OG : rot -170:sc= 0.164 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -3.73! C(o=-3.7!,f=-4.8!) USER MOD Single : A 46 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.00416) USER MOD Single : A 50 MET CE :methyl -163:sc=-0.00706 (180deg=-0.308) USER MOD Single : A 51 HIS :FLIP no HD1:sc= 0.345 F(o=-2.5!,f=0.35) USER MOD Single : A 53 GLN :FLIP amide:sc= -4.83! C(o=-7.9!,f=-4.8!) USER MOD Single : B 1 PHE N :NH3+ -112:sc= 0.999 (180deg=0.427) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : B 14 LYS NZ :NH3+ 146:sc= -0.0848 (180deg=-0.784) USER MOD Single : B 15 TYR OH : rot -9:sc= 0.201 USER MOD Single : B 16 HIS : no HE2:sc= -1.91 K(o=-1.9,f=-3.6!) USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 ASN : amide:sc= -0.0425 K(o=-0.043,f=-1.7!) USER MOD Single : B 22 MET CE :methyl 159:sc= -0.259 (180deg=-1.61!) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN :FLIP amide:sc= -0.22 F(o=-1.1,f=-0.22) USER MOD Single : B 34 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.00881) USER MOD Single : B 39 SER OG : rot -165:sc= -0.0408 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 GLN :FLIP amide:sc= -1.45 F(o=-2.9!,f=-1.5) USER MOD Single : B 46 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.00187) USER MOD Single : B 50 MET CE :methyl -161:sc=-0.00578 (180deg=-0.294) USER MOD Single : B 51 HIS :FLIP no HD1:sc= 0.416 F(o=-2.1!,f=0.42) USER MOD Single : B 53 GLN :FLIP amide:sc= -4.82! C(o=-7.8!,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.398 -4.472 24.173 1.00 0.00 N ATOM 2 CA PHE A 1 95.099 -3.742 25.436 1.00 0.00 C ATOM 3 C PHE A 1 95.233 -2.241 25.187 1.00 0.00 C ATOM 4 O PHE A 1 96.322 -1.713 25.074 1.00 0.00 O ATOM 5 CB PHE A 1 96.080 -4.191 26.522 1.00 0.00 C ATOM 6 CG PHE A 1 96.306 -5.684 26.401 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.285 -6.578 26.746 1.00 0.00 C ATOM 8 CD2 PHE A 1 97.537 -6.173 25.939 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.493 -7.960 26.629 1.00 0.00 C ATOM 10 CE2 PHE A 1 97.742 -7.555 25.821 1.00 0.00 C ATOM 11 CZ PHE A 1 96.721 -8.446 26.167 1.00 0.00 C ATOM 0 H1 PHE A 1 94.509 -4.792 23.738 1.00 0.00 H new ATOM 0 H2 PHE A 1 95.897 -3.839 23.516 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.997 -5.296 24.382 1.00 0.00 H new ATOM 0 HA PHE A 1 94.083 -3.960 25.766 1.00 0.00 H new ATOM 0 HB2 PHE A 1 97.025 -3.658 26.418 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.685 -3.949 27.509 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.337 -6.203 27.102 1.00 0.00 H new ATOM 0 HD2 PHE A 1 98.326 -5.485 25.674 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.705 -8.649 26.896 1.00 0.00 H new ATOM 0 HE2 PHE A 1 98.689 -7.932 25.463 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.881 -9.510 26.077 1.00 0.00 H new ATOM 23 N LEU A 2 94.125 -1.557 25.075 1.00 0.00 N ATOM 24 CA LEU A 2 94.156 -0.087 24.802 1.00 0.00 C ATOM 25 C LEU A 2 93.887 0.716 26.067 1.00 0.00 C ATOM 26 O LEU A 2 93.072 0.357 26.885 1.00 0.00 O ATOM 27 CB LEU A 2 93.088 0.257 23.761 1.00 0.00 C ATOM 28 CG LEU A 2 93.358 -0.503 22.457 1.00 0.00 C ATOM 29 CD1 LEU A 2 92.209 -0.241 21.478 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.687 -0.037 21.836 1.00 0.00 C ATOM 0 H LEU A 2 93.190 -1.956 25.162 1.00 0.00 H new ATOM 0 HA LEU A 2 95.149 0.169 24.432 1.00 0.00 H new ATOM 0 HB2 LEU A 2 92.100 -0.001 24.143 1.00 0.00 H new ATOM 0 HB3 LEU A 2 93.086 1.330 23.572 1.00 0.00 H new ATOM 0 HG LEU A 2 93.427 -1.570 22.668 1.00 0.00 H new ATOM 0 HD11 LEU A 2 92.394 -0.778 20.548 1.00 0.00 H new ATOM 0 HD12 LEU A 2 91.272 -0.585 21.916 1.00 0.00 H new ATOM 0 HD13 LEU A 2 92.142 0.827 21.273 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.868 -0.584 20.911 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.634 1.031 21.622 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.502 -0.227 22.535 1.00 0.00 H new ATOM 42 N ASP A 3 94.556 1.825 26.206 1.00 0.00 N ATOM 43 CA ASP A 3 94.332 2.693 27.392 1.00 0.00 C ATOM 44 C ASP A 3 92.868 3.119 27.393 1.00 0.00 C ATOM 45 O ASP A 3 92.230 3.189 28.424 1.00 0.00 O ATOM 46 CB ASP A 3 95.231 3.930 27.310 1.00 0.00 C ATOM 47 CG ASP A 3 96.689 3.519 27.522 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.909 2.469 28.106 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.561 4.262 27.104 1.00 0.00 O ATOM 0 H ASP A 3 95.252 2.169 25.545 1.00 0.00 H new ATOM 0 HA ASP A 3 94.571 2.151 28.307 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.116 4.412 26.339 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.934 4.658 28.065 1.00 0.00 H new ATOM 54 N GLY A 4 92.324 3.389 26.235 1.00 0.00 N ATOM 55 CA GLY A 4 90.890 3.791 26.153 1.00 0.00 C ATOM 56 C GLY A 4 90.050 2.825 26.992 1.00 0.00 C ATOM 57 O GLY A 4 88.906 3.088 27.307 1.00 0.00 O ATOM 0 H GLY A 4 92.813 3.348 25.341 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.764 4.811 26.516 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.555 3.778 25.116 1.00 0.00 H new ATOM 61 N ILE A 5 90.624 1.716 27.375 1.00 0.00 N ATOM 62 CA ILE A 5 89.886 0.736 28.214 1.00 0.00 C ATOM 63 C ILE A 5 89.479 1.419 29.521 1.00 0.00 C ATOM 64 O ILE A 5 88.401 1.203 30.038 1.00 0.00 O ATOM 65 CB ILE A 5 90.791 -0.479 28.486 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.846 -1.353 27.228 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.251 -1.299 29.667 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.959 -2.395 27.373 1.00 0.00 C ATOM 0 H ILE A 5 91.579 1.448 27.139 1.00 0.00 H new ATOM 0 HA ILE A 5 88.988 0.389 27.702 1.00 0.00 H new ATOM 0 HB ILE A 5 91.792 -0.130 28.739 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.887 -1.849 27.076 1.00 0.00 H new ATOM 0 HG13 ILE A 5 91.027 -0.733 26.350 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.903 -2.154 29.845 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.220 -0.674 30.560 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.246 -1.652 29.436 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.996 -3.015 26.477 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.916 -1.890 27.504 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.759 -3.023 28.241 1.00 0.00 H new ATOM 80 N ASP A 6 90.328 2.253 30.051 1.00 0.00 N ATOM 81 CA ASP A 6 89.987 2.964 31.314 1.00 0.00 C ATOM 82 C ASP A 6 88.727 3.804 31.093 1.00 0.00 C ATOM 83 O ASP A 6 87.868 3.892 31.946 1.00 0.00 O ATOM 84 CB ASP A 6 91.147 3.872 31.724 1.00 0.00 C ATOM 85 CG ASP A 6 92.327 3.016 32.185 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.096 1.879 32.565 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.442 3.510 32.152 1.00 0.00 O ATOM 0 H ASP A 6 91.245 2.474 29.663 1.00 0.00 H new ATOM 0 HA ASP A 6 89.807 2.237 32.106 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.446 4.500 30.884 1.00 0.00 H new ATOM 0 HB3 ASP A 6 90.834 4.540 32.526 1.00 0.00 H new ATOM 92 N LYS A 7 88.612 4.417 29.949 1.00 0.00 N ATOM 93 CA LYS A 7 87.411 5.250 29.661 1.00 0.00 C ATOM 94 C LYS A 7 86.161 4.367 29.732 1.00 0.00 C ATOM 95 O LYS A 7 85.114 4.791 30.181 1.00 0.00 O ATOM 96 CB LYS A 7 87.543 5.859 28.260 1.00 0.00 C ATOM 97 CG LYS A 7 86.325 6.736 27.953 1.00 0.00 C ATOM 98 CD LYS A 7 86.482 7.358 26.564 1.00 0.00 C ATOM 99 CE LYS A 7 85.271 8.240 26.258 1.00 0.00 C ATOM 100 NZ LYS A 7 85.513 8.993 24.995 1.00 0.00 N ATOM 0 H LYS A 7 89.301 4.377 29.198 1.00 0.00 H new ATOM 0 HA LYS A 7 87.328 6.053 30.394 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.455 6.453 28.197 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.627 5.066 27.516 1.00 0.00 H new ATOM 0 HG2 LYS A 7 85.414 6.139 27.995 1.00 0.00 H new ATOM 0 HG3 LYS A 7 86.228 7.519 28.705 1.00 0.00 H new ATOM 0 HD2 LYS A 7 87.396 7.950 26.521 1.00 0.00 H new ATOM 0 HD3 LYS A 7 86.574 6.575 25.812 1.00 0.00 H new ATOM 0 HE2 LYS A 7 84.375 7.626 26.162 1.00 0.00 H new ATOM 0 HE3 LYS A 7 85.096 8.934 27.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 84.690 9.593 24.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 86.358 9.589 25.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 85.660 8.322 24.214 1.00 0.00 H new ATOM 114 N ALA A 8 86.263 3.145 29.288 1.00 0.00 N ATOM 115 CA ALA A 8 85.083 2.234 29.324 1.00 0.00 C ATOM 116 C ALA A 8 84.603 2.051 30.769 1.00 0.00 C ATOM 117 O ALA A 8 83.420 1.950 31.025 1.00 0.00 O ATOM 118 CB ALA A 8 85.474 0.873 28.742 1.00 0.00 C ATOM 0 H ALA A 8 87.114 2.737 28.901 1.00 0.00 H new ATOM 0 HA ALA A 8 84.277 2.670 28.733 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.613 0.205 28.767 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.805 1.000 27.711 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.283 0.444 29.333 1.00 0.00 H new ATOM 124 N GLN A 9 85.502 2.002 31.717 1.00 0.00 N ATOM 125 CA GLN A 9 85.064 1.818 33.131 1.00 0.00 C ATOM 126 C GLN A 9 84.149 2.974 33.538 1.00 0.00 C ATOM 127 O GLN A 9 83.147 2.783 34.196 1.00 0.00 O ATOM 128 CB GLN A 9 86.284 1.784 34.058 1.00 0.00 C ATOM 129 CG GLN A 9 87.063 0.486 33.834 1.00 0.00 C ATOM 130 CD GLN A 9 88.241 0.423 34.809 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.368 0.996 34.491 1.00 0.00 O flip ATOM 132 NE2 GLN A 9 88.133 -0.154 35.873 1.00 0.00 N flip ATOM 0 H GLN A 9 86.509 2.080 31.576 1.00 0.00 H new ATOM 0 HA GLN A 9 84.523 0.875 33.216 1.00 0.00 H new ATOM 0 HB2 GLN A 9 86.926 2.643 33.863 1.00 0.00 H new ATOM 0 HB3 GLN A 9 85.965 1.854 35.098 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.409 -0.373 33.981 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.424 0.439 32.807 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.252 -0.603 36.123 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.924 -0.190 36.516 1.00 0.00 H new ATOM 141 N GLU A 10 84.480 4.169 33.142 1.00 0.00 N ATOM 142 CA GLU A 10 83.624 5.335 33.494 1.00 0.00 C ATOM 143 C GLU A 10 82.221 5.136 32.908 1.00 0.00 C ATOM 144 O GLU A 10 81.227 5.468 33.522 1.00 0.00 O ATOM 145 CB GLU A 10 84.248 6.615 32.930 1.00 0.00 C ATOM 146 CG GLU A 10 83.376 7.822 33.289 1.00 0.00 C ATOM 147 CD GLU A 10 84.051 9.103 32.795 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.186 9.018 32.356 1.00 0.00 O ATOM 149 OE2 GLU A 10 83.423 10.146 32.865 1.00 0.00 O ATOM 0 H GLU A 10 85.308 4.390 32.589 1.00 0.00 H new ATOM 0 HA GLU A 10 83.550 5.420 34.578 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.252 6.748 33.332 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.346 6.536 31.847 1.00 0.00 H new ATOM 0 HG2 GLU A 10 82.390 7.720 32.836 1.00 0.00 H new ATOM 0 HG3 GLU A 10 83.228 7.869 34.368 1.00 0.00 H new ATOM 156 N GLU A 11 82.141 4.624 31.706 1.00 0.00 N ATOM 157 CA GLU A 11 80.809 4.429 31.047 1.00 0.00 C ATOM 158 C GLU A 11 80.305 2.991 31.231 1.00 0.00 C ATOM 159 O GLU A 11 79.288 2.615 30.682 1.00 0.00 O ATOM 160 CB GLU A 11 80.955 4.715 29.551 1.00 0.00 C ATOM 161 CG GLU A 11 81.221 6.206 29.335 1.00 0.00 C ATOM 162 CD GLU A 11 79.960 7.007 29.663 1.00 0.00 C ATOM 163 OE1 GLU A 11 78.898 6.410 29.709 1.00 0.00 O ATOM 164 OE2 GLU A 11 80.078 8.205 29.864 1.00 0.00 O ATOM 0 H GLU A 11 82.943 4.331 31.149 1.00 0.00 H new ATOM 0 HA GLU A 11 80.090 5.108 31.505 1.00 0.00 H new ATOM 0 HB2 GLU A 11 81.773 4.126 29.136 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.049 4.417 29.024 1.00 0.00 H new ATOM 0 HG2 GLU A 11 82.046 6.533 29.967 1.00 0.00 H new ATOM 0 HG3 GLU A 11 81.520 6.386 28.302 1.00 0.00 H new ATOM 171 N CYS A 12 80.992 2.178 31.988 1.00 0.00 N ATOM 172 CA CYS A 12 80.520 0.772 32.180 1.00 0.00 C ATOM 173 C CYS A 12 79.035 0.771 32.546 1.00 0.00 C ATOM 174 O CYS A 12 78.267 -0.045 32.074 1.00 0.00 O ATOM 175 CB CYS A 12 81.314 0.109 33.307 1.00 0.00 C ATOM 176 SG CYS A 12 80.737 -1.590 33.531 1.00 0.00 S ATOM 0 H CYS A 12 81.852 2.422 32.479 1.00 0.00 H new ATOM 0 HA CYS A 12 80.669 0.218 31.253 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.378 0.115 33.069 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.191 0.671 34.233 1.00 0.00 H new ATOM 181 N GLU A 13 78.626 1.681 33.382 1.00 0.00 N ATOM 182 CA GLU A 13 77.193 1.744 33.786 1.00 0.00 C ATOM 183 C GLU A 13 76.330 1.971 32.543 1.00 0.00 C ATOM 184 O GLU A 13 75.264 1.409 32.402 1.00 0.00 O ATOM 185 CB GLU A 13 77.003 2.897 34.778 1.00 0.00 C ATOM 186 CG GLU A 13 75.536 2.985 35.213 1.00 0.00 C ATOM 187 CD GLU A 13 75.369 4.140 36.202 1.00 0.00 C ATOM 188 OE1 GLU A 13 75.514 3.901 37.389 1.00 0.00 O ATOM 189 OE2 GLU A 13 75.104 5.244 35.755 1.00 0.00 O ATOM 0 H GLU A 13 79.225 2.389 33.806 1.00 0.00 H new ATOM 0 HA GLU A 13 76.895 0.809 34.261 1.00 0.00 H new ATOM 0 HB2 GLU A 13 77.640 2.745 35.650 1.00 0.00 H new ATOM 0 HB3 GLU A 13 77.311 3.836 34.318 1.00 0.00 H new ATOM 0 HG2 GLU A 13 74.896 3.140 34.344 1.00 0.00 H new ATOM 0 HG3 GLU A 13 75.225 2.048 35.675 1.00 0.00 H new ATOM 196 N LYS A 14 76.783 2.802 31.645 1.00 0.00 N ATOM 197 CA LYS A 14 75.993 3.082 30.412 1.00 0.00 C ATOM 198 C LYS A 14 75.810 1.793 29.602 1.00 0.00 C ATOM 199 O LYS A 14 74.771 1.566 29.016 1.00 0.00 O ATOM 200 CB LYS A 14 76.724 4.127 29.567 1.00 0.00 C ATOM 201 CG LYS A 14 75.885 4.463 28.331 1.00 0.00 C ATOM 202 CD LYS A 14 76.557 5.592 27.548 1.00 0.00 C ATOM 203 CE LYS A 14 75.730 5.908 26.299 1.00 0.00 C ATOM 204 NZ LYS A 14 74.327 6.221 26.695 1.00 0.00 N ATOM 0 H LYS A 14 77.670 3.301 31.712 1.00 0.00 H new ATOM 0 HA LYS A 14 75.011 3.464 30.692 1.00 0.00 H new ATOM 0 HB2 LYS A 14 76.900 5.027 30.156 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.700 3.748 29.265 1.00 0.00 H new ATOM 0 HG2 LYS A 14 75.780 3.581 27.699 1.00 0.00 H new ATOM 0 HG3 LYS A 14 74.881 4.762 28.631 1.00 0.00 H new ATOM 0 HD2 LYS A 14 76.645 6.480 28.173 1.00 0.00 H new ATOM 0 HD3 LYS A 14 77.568 5.300 27.264 1.00 0.00 H new ATOM 0 HE2 LYS A 14 76.166 6.753 25.766 1.00 0.00 H new ATOM 0 HE3 LYS A 14 75.745 5.059 25.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 73.943 6.954 26.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 73.746 5.362 26.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 74.312 6.566 27.676 1.00 0.00 H new ATOM 218 N TYR A 15 76.808 0.948 29.553 1.00 0.00 N ATOM 219 CA TYR A 15 76.672 -0.317 28.769 1.00 0.00 C ATOM 220 C TYR A 15 76.003 -1.387 29.636 1.00 0.00 C ATOM 221 O TYR A 15 75.457 -2.349 29.135 1.00 0.00 O ATOM 222 CB TYR A 15 78.057 -0.808 28.338 1.00 0.00 C ATOM 223 CG TYR A 15 78.652 0.167 27.350 1.00 0.00 C ATOM 224 CD1 TYR A 15 78.324 0.074 25.992 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.528 1.166 27.791 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.873 0.978 25.076 1.00 0.00 C ATOM 227 CE2 TYR A 15 80.077 2.071 26.874 1.00 0.00 C ATOM 228 CZ TYR A 15 79.750 1.977 25.516 1.00 0.00 C ATOM 229 OH TYR A 15 80.291 2.869 24.613 1.00 0.00 O ATOM 0 H TYR A 15 77.706 1.078 30.019 1.00 0.00 H new ATOM 0 HA TYR A 15 76.062 -0.128 27.885 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.707 -0.904 29.207 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.980 -1.797 27.887 1.00 0.00 H new ATOM 0 HD1 TYR A 15 77.647 -0.696 25.652 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.780 1.239 28.839 1.00 0.00 H new ATOM 0 HE1 TYR A 15 78.620 0.905 24.029 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.753 2.842 27.215 1.00 0.00 H new ATOM 0 HH TYR A 15 80.108 2.562 23.700 1.00 0.00 H new ATOM 239 N HIS A 16 76.033 -1.217 30.932 1.00 0.00 N ATOM 240 CA HIS A 16 75.387 -2.207 31.844 1.00 0.00 C ATOM 241 C HIS A 16 75.987 -3.598 31.630 1.00 0.00 C ATOM 242 O HIS A 16 77.183 -3.760 31.490 1.00 0.00 O ATOM 243 CB HIS A 16 73.878 -2.251 31.581 1.00 0.00 C ATOM 244 CG HIS A 16 73.318 -0.859 31.669 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.286 -0.005 30.576 1.00 0.00 N ATOM 246 CD2 HIS A 16 72.769 -0.154 32.712 1.00 0.00 C ATOM 247 CE1 HIS A 16 72.735 1.154 30.982 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.404 1.113 32.274 1.00 0.00 N ATOM 0 H HIS A 16 76.480 -0.429 31.401 1.00 0.00 H new ATOM 0 HA HIS A 16 75.566 -1.900 32.874 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.681 -2.673 30.595 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.389 -2.899 32.309 1.00 0.00 H new ATOM 0 HD1 HIS A 16 73.619 -0.217 29.636 1.00 0.00 H new ATOM 0 HD2 HIS A 16 72.641 -0.527 33.717 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.580 2.010 30.342 1.00 0.00 H new ATOM 257 N SER A 17 75.157 -4.608 31.618 1.00 0.00 N ATOM 258 CA SER A 17 75.659 -5.998 31.432 1.00 0.00 C ATOM 259 C SER A 17 75.832 -6.292 29.940 1.00 0.00 C ATOM 260 O SER A 17 76.253 -7.366 29.558 1.00 0.00 O ATOM 261 CB SER A 17 74.651 -6.979 32.031 1.00 0.00 C ATOM 262 OG SER A 17 74.500 -6.705 33.419 1.00 0.00 O ATOM 0 H SER A 17 74.146 -4.527 31.730 1.00 0.00 H new ATOM 0 HA SER A 17 76.622 -6.106 31.931 1.00 0.00 H new ATOM 0 HB2 SER A 17 73.691 -6.888 31.523 1.00 0.00 H new ATOM 0 HB3 SER A 17 74.992 -8.004 31.885 1.00 0.00 H new ATOM 0 HG SER A 17 73.853 -7.330 33.807 1.00 0.00 H new ATOM 268 N ASN A 18 75.518 -5.351 29.091 1.00 0.00 N ATOM 269 CA ASN A 18 75.675 -5.592 27.627 1.00 0.00 C ATOM 270 C ASN A 18 77.135 -5.364 27.240 1.00 0.00 C ATOM 271 O ASN A 18 77.485 -4.347 26.674 1.00 0.00 O ATOM 272 CB ASN A 18 74.792 -4.619 26.845 1.00 0.00 C ATOM 273 CG ASN A 18 73.320 -4.984 27.039 1.00 0.00 C ATOM 274 OD1 ASN A 18 72.999 -6.096 27.407 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.405 -4.085 26.801 1.00 0.00 N ATOM 0 H ASN A 18 75.161 -4.430 29.346 1.00 0.00 H new ATOM 0 HA ASN A 18 75.380 -6.615 27.393 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.971 -3.599 27.184 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.048 -4.652 25.786 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.419 -4.316 26.924 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.676 -3.151 26.492 1.00 0.00 H new ATOM 282 N TRP A 19 77.993 -6.300 27.541 1.00 0.00 N ATOM 283 CA TRP A 19 79.428 -6.125 27.189 1.00 0.00 C ATOM 284 C TRP A 19 79.600 -6.215 25.670 1.00 0.00 C ATOM 285 O TRP A 19 80.525 -5.665 25.107 1.00 0.00 O ATOM 286 CB TRP A 19 80.265 -7.210 27.875 1.00 0.00 C ATOM 287 CG TRP A 19 79.819 -8.568 27.431 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.906 -9.335 28.069 1.00 0.00 C ATOM 289 CD2 TRP A 19 80.252 -9.329 26.267 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.756 -10.522 27.374 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.562 -10.565 26.254 1.00 0.00 C ATOM 292 CE3 TRP A 19 81.169 -9.071 25.230 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.774 -11.511 25.250 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.382 -10.021 24.218 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.686 -11.238 24.228 1.00 0.00 C ATOM 0 H TRP A 19 77.763 -7.174 28.013 1.00 0.00 H new ATOM 0 HA TRP A 19 79.767 -5.146 27.529 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.319 -7.070 27.637 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.168 -7.124 28.957 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.380 -9.065 28.973 1.00 0.00 H new ATOM 0 HE1 TRP A 19 78.127 -11.274 27.655 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.712 -8.137 25.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 79.237 -12.448 25.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 82.087 -9.813 23.427 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.855 -11.964 23.446 1.00 0.00 H new ATOM 306 N ARG A 20 78.718 -6.909 25.001 1.00 0.00 N ATOM 307 CA ARG A 20 78.834 -7.040 23.518 1.00 0.00 C ATOM 308 C ARG A 20 78.763 -5.662 22.854 1.00 0.00 C ATOM 309 O ARG A 20 79.500 -5.369 21.934 1.00 0.00 O ATOM 310 CB ARG A 20 77.684 -7.903 22.998 1.00 0.00 C ATOM 311 CG ARG A 20 77.891 -9.351 23.440 1.00 0.00 C ATOM 312 CD ARG A 20 76.739 -10.208 22.917 1.00 0.00 C ATOM 313 NE ARG A 20 76.921 -11.620 23.351 1.00 0.00 N ATOM 314 CZ ARG A 20 75.910 -12.443 23.320 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.741 -12.022 22.922 1.00 0.00 N ATOM 316 NH2 ARG A 20 76.064 -13.685 23.690 1.00 0.00 N ATOM 0 H ARG A 20 77.921 -7.391 25.417 1.00 0.00 H new ATOM 0 HA ARG A 20 79.791 -7.502 23.278 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.734 -7.528 23.378 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.637 -7.847 21.910 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.841 -9.727 23.060 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.938 -9.408 24.527 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.790 -9.823 23.290 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.699 -10.155 21.829 1.00 0.00 H new ATOM 0 HE ARG A 20 77.834 -11.943 23.672 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.619 -11.051 22.636 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.949 -12.664 22.897 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.977 -14.014 24.004 1.00 0.00 H new ATOM 0 HH22 ARG A 20 75.272 -14.327 23.665 1.00 0.00 H new ATOM 330 N ALA A 21 77.879 -4.814 23.304 1.00 0.00 N ATOM 331 CA ALA A 21 77.769 -3.462 22.685 1.00 0.00 C ATOM 332 C ALA A 21 79.066 -2.693 22.929 1.00 0.00 C ATOM 333 O ALA A 21 79.632 -2.104 22.029 1.00 0.00 O ATOM 334 CB ALA A 21 76.597 -2.703 23.315 1.00 0.00 C ATOM 0 H ALA A 21 77.231 -4.997 24.070 1.00 0.00 H new ATOM 0 HA ALA A 21 77.597 -3.562 21.613 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.518 -1.715 22.862 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.673 -3.255 23.146 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.766 -2.598 24.387 1.00 0.00 H new ATOM 340 N MET A 22 79.543 -2.701 24.140 1.00 0.00 N ATOM 341 CA MET A 22 80.807 -1.982 24.453 1.00 0.00 C ATOM 342 C MET A 22 81.949 -2.575 23.619 1.00 0.00 C ATOM 343 O MET A 22 82.755 -1.863 23.060 1.00 0.00 O ATOM 344 CB MET A 22 81.108 -2.140 25.946 1.00 0.00 C ATOM 345 CG MET A 22 82.405 -1.410 26.303 1.00 0.00 C ATOM 346 SD MET A 22 82.722 -1.579 28.079 1.00 0.00 S ATOM 347 CE MET A 22 82.927 -3.376 28.114 1.00 0.00 C ATOM 0 H MET A 22 79.110 -3.177 24.931 1.00 0.00 H new ATOM 0 HA MET A 22 80.707 -0.923 24.213 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.283 -1.740 26.535 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.196 -3.197 26.197 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.237 -1.824 25.733 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.328 -0.356 26.035 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.484 -3.661 29.006 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.947 -3.854 28.130 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.473 -3.697 27.227 1.00 0.00 H new ATOM 357 N ALA A 23 82.021 -3.873 23.524 1.00 0.00 N ATOM 358 CA ALA A 23 83.112 -4.499 22.723 1.00 0.00 C ATOM 359 C ALA A 23 83.041 -3.994 21.278 1.00 0.00 C ATOM 360 O ALA A 23 84.049 -3.740 20.649 1.00 0.00 O ATOM 361 CB ALA A 23 82.955 -6.022 22.744 1.00 0.00 C ATOM 0 H ALA A 23 81.374 -4.527 23.965 1.00 0.00 H new ATOM 0 HA ALA A 23 84.077 -4.230 23.153 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.753 -6.478 22.158 1.00 0.00 H new ATOM 0 HB2 ALA A 23 83.010 -6.379 23.772 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.990 -6.294 22.316 1.00 0.00 H new ATOM 367 N SER A 24 81.858 -3.855 20.745 1.00 0.00 N ATOM 368 CA SER A 24 81.723 -3.375 19.340 1.00 0.00 C ATOM 369 C SER A 24 82.189 -1.920 19.233 1.00 0.00 C ATOM 370 O SER A 24 82.804 -1.529 18.261 1.00 0.00 O ATOM 371 CB SER A 24 80.263 -3.477 18.898 1.00 0.00 C ATOM 372 OG SER A 24 80.148 -3.025 17.554 1.00 0.00 O ATOM 0 H SER A 24 80.978 -4.053 21.222 1.00 0.00 H new ATOM 0 HA SER A 24 82.343 -3.996 18.694 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.917 -4.508 18.978 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.630 -2.877 19.552 1.00 0.00 H new ATOM 0 HG SER A 24 79.214 -3.090 17.266 1.00 0.00 H new ATOM 378 N ASP A 25 81.896 -1.111 20.215 1.00 0.00 N ATOM 379 CA ASP A 25 82.323 0.318 20.142 1.00 0.00 C ATOM 380 C ASP A 25 83.843 0.416 20.275 1.00 0.00 C ATOM 381 O ASP A 25 84.482 1.190 19.589 1.00 0.00 O ATOM 382 CB ASP A 25 81.665 1.112 21.272 1.00 0.00 C ATOM 383 CG ASP A 25 80.168 1.257 20.991 1.00 0.00 C ATOM 384 OD1 ASP A 25 79.780 1.070 19.849 1.00 0.00 O ATOM 385 OD2 ASP A 25 79.437 1.552 21.920 1.00 0.00 O ATOM 0 H ASP A 25 81.384 -1.373 21.058 1.00 0.00 H new ATOM 0 HA ASP A 25 82.017 0.729 19.180 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.819 0.605 22.224 1.00 0.00 H new ATOM 0 HB3 ASP A 25 82.127 2.096 21.356 1.00 0.00 H new ATOM 390 N PHE A 26 84.433 -0.367 21.137 1.00 0.00 N ATOM 391 CA PHE A 26 85.921 -0.323 21.295 1.00 0.00 C ATOM 392 C PHE A 26 86.551 -1.407 20.412 1.00 0.00 C ATOM 393 O PHE A 26 87.755 -1.491 20.279 1.00 0.00 O ATOM 394 CB PHE A 26 86.299 -0.564 22.761 1.00 0.00 C ATOM 395 CG PHE A 26 85.890 0.628 23.600 1.00 0.00 C ATOM 396 CD1 PHE A 26 86.781 1.694 23.789 1.00 0.00 C ATOM 397 CD2 PHE A 26 84.620 0.670 24.191 1.00 0.00 C ATOM 398 CE1 PHE A 26 86.402 2.795 24.564 1.00 0.00 C ATOM 399 CE2 PHE A 26 84.244 1.772 24.966 1.00 0.00 C ATOM 400 CZ PHE A 26 85.133 2.834 25.153 1.00 0.00 C ATOM 0 H PHE A 26 83.953 -1.035 21.739 1.00 0.00 H new ATOM 0 HA PHE A 26 86.290 0.657 20.993 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.808 -1.465 23.129 1.00 0.00 H new ATOM 0 HB3 PHE A 26 87.373 -0.729 22.847 1.00 0.00 H new ATOM 0 HD1 PHE A 26 87.761 1.665 23.336 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.931 -0.149 24.048 1.00 0.00 H new ATOM 0 HE1 PHE A 26 87.089 3.616 24.708 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.265 1.802 25.421 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.841 3.684 25.752 1.00 0.00 H new ATOM 410 N ASN A 27 85.739 -2.225 19.795 1.00 0.00 N ATOM 411 CA ASN A 27 86.275 -3.296 18.902 1.00 0.00 C ATOM 412 C ASN A 27 87.322 -4.138 19.641 1.00 0.00 C ATOM 413 O ASN A 27 88.356 -4.467 19.094 1.00 0.00 O ATOM 414 CB ASN A 27 86.916 -2.656 17.669 1.00 0.00 C ATOM 415 CG ASN A 27 85.864 -1.840 16.915 1.00 0.00 C ATOM 416 OD1 ASN A 27 84.709 -2.381 16.642 1.00 0.00 O flip ATOM 417 ND2 ASN A 27 86.096 -0.698 16.570 1.00 0.00 N flip ATOM 0 H ASN A 27 84.722 -2.197 19.871 1.00 0.00 H new ATOM 0 HA ASN A 27 85.453 -3.944 18.599 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.744 -2.014 17.968 1.00 0.00 H new ATOM 0 HB3 ASN A 27 87.329 -3.427 17.019 1.00 0.00 H new ATOM 0 HD21 ASN A 27 86.999 -0.274 16.783 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.388 -0.163 16.067 1.00 0.00 H new ATOM 424 N LEU A 28 87.063 -4.492 20.876 1.00 0.00 N ATOM 425 CA LEU A 28 88.042 -5.319 21.659 1.00 0.00 C ATOM 426 C LEU A 28 87.479 -6.742 21.851 1.00 0.00 C ATOM 427 O LEU A 28 86.371 -6.897 22.325 1.00 0.00 O ATOM 428 CB LEU A 28 88.224 -4.698 23.041 1.00 0.00 C ATOM 429 CG LEU A 28 88.945 -3.344 22.930 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.702 -2.536 24.208 1.00 0.00 C ATOM 431 CD2 LEU A 28 90.457 -3.554 22.745 1.00 0.00 C ATOM 0 H LEU A 28 86.212 -4.244 21.380 1.00 0.00 H new ATOM 0 HA LEU A 28 88.990 -5.356 21.122 1.00 0.00 H new ATOM 0 HB2 LEU A 28 87.253 -4.562 23.516 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.798 -5.372 23.677 1.00 0.00 H new ATOM 0 HG LEU A 28 88.554 -2.806 22.066 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.211 -1.575 24.133 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.632 -2.370 24.336 1.00 0.00 H new ATOM 0 HD13 LEU A 28 89.089 -3.086 25.066 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.952 -2.586 22.668 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.856 -4.099 23.601 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.636 -4.126 21.835 1.00 0.00 H new ATOM 443 N PRO A 29 88.218 -7.785 21.515 1.00 0.00 N ATOM 444 CA PRO A 29 87.730 -9.184 21.701 1.00 0.00 C ATOM 445 C PRO A 29 87.063 -9.389 23.080 1.00 0.00 C ATOM 446 O PRO A 29 87.477 -8.799 24.058 1.00 0.00 O ATOM 447 CB PRO A 29 89.006 -10.022 21.596 1.00 0.00 C ATOM 448 CG PRO A 29 89.881 -9.251 20.665 1.00 0.00 C ATOM 449 CD PRO A 29 89.574 -7.769 20.919 1.00 0.00 C ATOM 0 HA PRO A 29 86.967 -9.452 20.970 1.00 0.00 H new ATOM 0 HB2 PRO A 29 89.478 -10.151 22.570 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.796 -11.019 21.209 1.00 0.00 H new ATOM 0 HG2 PRO A 29 90.933 -9.468 20.850 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.678 -9.519 19.628 1.00 0.00 H new ATOM 0 HD2 PRO A 29 90.302 -7.320 21.594 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.598 -7.192 19.995 1.00 0.00 H new ATOM 457 N PRO A 30 86.044 -10.216 23.164 1.00 0.00 N ATOM 458 CA PRO A 30 85.331 -10.487 24.447 1.00 0.00 C ATOM 459 C PRO A 30 86.270 -10.576 25.666 1.00 0.00 C ATOM 460 O PRO A 30 85.839 -10.447 26.795 1.00 0.00 O ATOM 461 CB PRO A 30 84.661 -11.842 24.193 1.00 0.00 C ATOM 462 CG PRO A 30 84.394 -11.882 22.717 1.00 0.00 C ATOM 463 CD PRO A 30 85.450 -10.985 22.050 1.00 0.00 C ATOM 0 HA PRO A 30 84.641 -9.680 24.696 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.309 -12.664 24.498 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.736 -11.936 24.763 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.460 -12.903 22.340 1.00 0.00 H new ATOM 0 HG3 PRO A 30 83.388 -11.525 22.496 1.00 0.00 H new ATOM 0 HD2 PRO A 30 86.203 -11.578 21.532 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.999 -10.325 21.309 1.00 0.00 H new ATOM 471 N VAL A 31 87.537 -10.826 25.456 1.00 0.00 N ATOM 472 CA VAL A 31 88.472 -10.952 26.619 1.00 0.00 C ATOM 473 C VAL A 31 88.494 -9.655 27.435 1.00 0.00 C ATOM 474 O VAL A 31 88.359 -9.670 28.641 1.00 0.00 O ATOM 475 CB VAL A 31 89.889 -11.237 26.100 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.908 -11.132 27.247 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.937 -12.646 25.503 1.00 0.00 C ATOM 0 H VAL A 31 87.964 -10.948 24.538 1.00 0.00 H new ATOM 0 HA VAL A 31 88.130 -11.767 27.256 1.00 0.00 H new ATOM 0 HB VAL A 31 90.141 -10.502 25.335 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.908 -11.336 26.865 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.879 -10.127 27.669 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.660 -11.858 28.021 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.942 -12.851 25.134 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.677 -13.375 26.270 1.00 0.00 H new ATOM 0 HG23 VAL A 31 89.227 -12.717 24.679 1.00 0.00 H new ATOM 487 N VAL A 32 88.684 -8.539 26.796 1.00 0.00 N ATOM 488 CA VAL A 32 88.741 -7.259 27.555 1.00 0.00 C ATOM 489 C VAL A 32 87.343 -6.845 28.008 1.00 0.00 C ATOM 490 O VAL A 32 87.154 -6.392 29.115 1.00 0.00 O ATOM 491 CB VAL A 32 89.323 -6.165 26.669 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.494 -4.883 27.485 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.681 -6.614 26.126 1.00 0.00 C ATOM 0 H VAL A 32 88.802 -8.455 25.786 1.00 0.00 H new ATOM 0 HA VAL A 32 89.372 -7.402 28.432 1.00 0.00 H new ATOM 0 HB VAL A 32 88.646 -5.975 25.836 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.910 -4.101 26.850 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.525 -4.563 27.867 1.00 0.00 H new ATOM 0 HG13 VAL A 32 90.169 -5.071 28.320 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.097 -5.831 25.492 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.360 -6.806 26.957 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.556 -7.525 25.541 1.00 0.00 H new ATOM 503 N ALA A 33 86.362 -6.980 27.162 1.00 0.00 N ATOM 504 CA ALA A 33 84.991 -6.564 27.564 1.00 0.00 C ATOM 505 C ALA A 33 84.552 -7.369 28.785 1.00 0.00 C ATOM 506 O ALA A 33 84.139 -6.818 29.786 1.00 0.00 O ATOM 507 CB ALA A 33 84.029 -6.801 26.397 1.00 0.00 C ATOM 0 H ALA A 33 86.448 -7.357 26.218 1.00 0.00 H new ATOM 0 HA ALA A 33 84.985 -5.505 27.821 1.00 0.00 H new ATOM 0 HB1 ALA A 33 83.023 -6.498 26.687 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.350 -6.215 25.536 1.00 0.00 H new ATOM 0 HB3 ALA A 33 84.028 -7.859 26.136 1.00 0.00 H new ATOM 513 N LYS A 34 84.663 -8.663 28.726 1.00 0.00 N ATOM 514 CA LYS A 34 84.279 -9.489 29.903 1.00 0.00 C ATOM 515 C LYS A 34 85.140 -9.096 31.102 1.00 0.00 C ATOM 516 O LYS A 34 84.674 -9.026 32.221 1.00 0.00 O ATOM 517 CB LYS A 34 84.483 -10.973 29.592 1.00 0.00 C ATOM 518 CG LYS A 34 83.429 -11.437 28.584 1.00 0.00 C ATOM 519 CD LYS A 34 83.637 -12.922 28.275 1.00 0.00 C ATOM 520 CE LYS A 34 82.575 -13.395 27.277 1.00 0.00 C ATOM 521 NZ LYS A 34 81.293 -13.633 27.998 1.00 0.00 N ATOM 0 H LYS A 34 85.002 -9.185 27.918 1.00 0.00 H new ATOM 0 HA LYS A 34 83.228 -9.315 30.133 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.483 -11.136 29.189 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.408 -11.560 30.507 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.429 -11.275 28.987 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.503 -10.850 27.668 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.634 -13.082 27.863 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.574 -13.507 29.193 1.00 0.00 H new ATOM 0 HE2 LYS A 34 82.433 -12.647 26.497 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.904 -14.310 26.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.958 -14.598 27.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.444 -13.521 29.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 80.581 -12.947 27.676 1.00 0.00 H new ATOM 535 N GLU A 35 86.400 -8.851 30.875 1.00 0.00 N ATOM 536 CA GLU A 35 87.308 -8.481 31.997 1.00 0.00 C ATOM 537 C GLU A 35 86.817 -7.201 32.674 1.00 0.00 C ATOM 538 O GLU A 35 86.797 -7.103 33.885 1.00 0.00 O ATOM 539 CB GLU A 35 88.717 -8.254 31.443 1.00 0.00 C ATOM 540 CG GLU A 35 89.706 -8.022 32.595 1.00 0.00 C ATOM 541 CD GLU A 35 89.586 -6.585 33.116 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.004 -5.765 32.425 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.081 -6.329 34.202 1.00 0.00 O ATOM 0 H GLU A 35 86.842 -8.891 29.957 1.00 0.00 H new ATOM 0 HA GLU A 35 87.319 -9.286 32.731 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.028 -9.117 30.854 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.719 -7.394 30.773 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.507 -8.727 33.402 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.724 -8.209 32.253 1.00 0.00 H new ATOM 550 N ILE A 36 86.420 -6.220 31.916 1.00 0.00 N ATOM 551 CA ILE A 36 85.933 -4.962 32.547 1.00 0.00 C ATOM 552 C ILE A 36 84.717 -5.292 33.420 1.00 0.00 C ATOM 553 O ILE A 36 84.643 -4.901 34.567 1.00 0.00 O ATOM 554 CB ILE A 36 85.562 -3.953 31.453 1.00 0.00 C ATOM 555 CG1 ILE A 36 86.820 -3.597 30.652 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.004 -2.679 32.089 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.415 -2.878 29.364 1.00 0.00 C ATOM 0 H ILE A 36 86.411 -6.232 30.896 1.00 0.00 H new ATOM 0 HA ILE A 36 86.711 -4.520 33.170 1.00 0.00 H new ATOM 0 HB ILE A 36 84.809 -4.393 30.798 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.475 -2.960 31.247 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.382 -4.501 30.416 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.742 -1.966 31.307 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.115 -2.922 32.671 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.757 -2.239 32.743 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.308 -2.624 28.793 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.777 -3.531 28.768 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.871 -1.966 29.612 1.00 0.00 H new ATOM 569 N VAL A 37 83.777 -6.035 32.895 1.00 0.00 N ATOM 570 CA VAL A 37 82.584 -6.415 33.709 1.00 0.00 C ATOM 571 C VAL A 37 83.028 -7.375 34.818 1.00 0.00 C ATOM 572 O VAL A 37 82.662 -7.228 35.968 1.00 0.00 O ATOM 573 CB VAL A 37 81.555 -7.104 32.806 1.00 0.00 C ATOM 574 CG1 VAL A 37 80.441 -7.720 33.658 1.00 0.00 C ATOM 575 CG2 VAL A 37 80.948 -6.072 31.851 1.00 0.00 C ATOM 0 H VAL A 37 83.784 -6.394 31.940 1.00 0.00 H new ATOM 0 HA VAL A 37 82.133 -5.527 34.153 1.00 0.00 H new ATOM 0 HB VAL A 37 82.049 -7.891 32.236 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.714 -8.208 33.009 1.00 0.00 H new ATOM 0 HG12 VAL A 37 80.869 -8.455 34.340 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.947 -6.936 34.232 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.216 -6.559 31.207 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.459 -5.286 32.427 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.737 -5.635 31.238 1.00 0.00 H new ATOM 585 N ALA A 38 83.821 -8.354 34.476 1.00 0.00 N ATOM 586 CA ALA A 38 84.305 -9.328 35.497 1.00 0.00 C ATOM 587 C ALA A 38 85.141 -8.595 36.550 1.00 0.00 C ATOM 588 O ALA A 38 85.334 -9.082 37.646 1.00 0.00 O ATOM 589 CB ALA A 38 85.144 -10.413 34.815 1.00 0.00 C ATOM 0 H ALA A 38 84.157 -8.522 33.528 1.00 0.00 H new ATOM 0 HA ALA A 38 83.452 -9.797 35.987 1.00 0.00 H new ATOM 0 HB1 ALA A 38 85.497 -11.124 35.562 1.00 0.00 H new ATOM 0 HB2 ALA A 38 84.534 -10.935 34.078 1.00 0.00 H new ATOM 0 HB3 ALA A 38 85.999 -9.954 34.319 1.00 0.00 H new ATOM 595 N SER A 39 85.641 -7.427 36.231 1.00 0.00 N ATOM 596 CA SER A 39 86.466 -6.670 37.222 1.00 0.00 C ATOM 597 C SER A 39 85.580 -5.667 37.960 1.00 0.00 C ATOM 598 O SER A 39 85.794 -5.370 39.119 1.00 0.00 O ATOM 599 CB SER A 39 87.573 -5.915 36.488 1.00 0.00 C ATOM 600 OG SER A 39 88.405 -6.844 35.806 1.00 0.00 O ATOM 0 H SER A 39 85.514 -6.966 35.330 1.00 0.00 H new ATOM 0 HA SER A 39 86.906 -7.366 37.936 1.00 0.00 H new ATOM 0 HB2 SER A 39 87.139 -5.210 35.779 1.00 0.00 H new ATOM 0 HB3 SER A 39 88.163 -5.333 37.196 1.00 0.00 H new ATOM 0 HG SER A 39 89.203 -6.384 35.472 1.00 0.00 H new ATOM 606 N CYS A 40 84.574 -5.154 37.307 1.00 0.00 N ATOM 607 CA CYS A 40 83.670 -4.184 37.985 1.00 0.00 C ATOM 608 C CYS A 40 83.059 -4.865 39.212 1.00 0.00 C ATOM 609 O CYS A 40 82.605 -5.983 39.142 1.00 0.00 O ATOM 610 CB CYS A 40 82.562 -3.764 37.016 1.00 0.00 C ATOM 611 SG CYS A 40 81.788 -2.237 37.604 1.00 0.00 S ATOM 0 H CYS A 40 84.340 -5.364 36.337 1.00 0.00 H new ATOM 0 HA CYS A 40 84.226 -3.299 38.294 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.975 -3.614 36.019 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.816 -4.555 36.936 1.00 0.00 H new ATOM 616 N ASP A 41 83.050 -4.213 40.337 1.00 0.00 N ATOM 617 CA ASP A 41 82.479 -4.856 41.556 1.00 0.00 C ATOM 618 C ASP A 41 80.948 -4.828 41.515 1.00 0.00 C ATOM 619 O ASP A 41 80.292 -5.687 42.070 1.00 0.00 O ATOM 620 CB ASP A 41 82.970 -4.109 42.798 1.00 0.00 C ATOM 621 CG ASP A 41 84.460 -4.391 43.010 1.00 0.00 C ATOM 622 OD1 ASP A 41 84.933 -5.391 42.495 1.00 0.00 O ATOM 623 OD2 ASP A 41 85.103 -3.602 43.683 1.00 0.00 O ATOM 0 H ASP A 41 83.410 -3.268 40.469 1.00 0.00 H new ATOM 0 HA ASP A 41 82.807 -5.895 41.592 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.805 -3.038 42.680 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.402 -4.424 43.673 1.00 0.00 H new ATOM 628 N LYS A 42 80.367 -3.846 40.884 1.00 0.00 N ATOM 629 CA LYS A 42 78.877 -3.772 40.840 1.00 0.00 C ATOM 630 C LYS A 42 78.300 -4.788 39.842 1.00 0.00 C ATOM 631 O LYS A 42 77.346 -5.480 40.136 1.00 0.00 O ATOM 632 CB LYS A 42 78.459 -2.362 40.417 1.00 0.00 C ATOM 633 CG LYS A 42 78.827 -1.368 41.521 1.00 0.00 C ATOM 634 CD LYS A 42 78.409 0.042 41.100 1.00 0.00 C ATOM 635 CE LYS A 42 78.778 1.037 42.204 1.00 0.00 C ATOM 636 NZ LYS A 42 78.595 2.428 41.699 1.00 0.00 N ATOM 0 H LYS A 42 80.855 -3.094 40.398 1.00 0.00 H new ATOM 0 HA LYS A 42 78.490 -4.005 41.832 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.955 -2.088 39.486 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.386 -2.331 40.228 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.331 -1.643 42.452 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.900 -1.399 41.710 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.904 0.316 40.169 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.336 0.073 40.912 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.153 0.872 43.081 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.811 0.885 42.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 78.845 3.105 42.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 79.209 2.581 40.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.602 2.569 41.422 1.00 0.00 H new ATOM 650 N CYS A 43 78.847 -4.865 38.657 1.00 0.00 N ATOM 651 CA CYS A 43 78.299 -5.816 37.638 1.00 0.00 C ATOM 652 C CYS A 43 78.813 -7.243 37.866 1.00 0.00 C ATOM 653 O CYS A 43 78.207 -8.198 37.423 1.00 0.00 O ATOM 654 CB CYS A 43 78.699 -5.349 36.239 1.00 0.00 C ATOM 655 SG CYS A 43 78.009 -3.703 35.936 1.00 0.00 S ATOM 0 H CYS A 43 79.648 -4.313 38.349 1.00 0.00 H new ATOM 0 HA CYS A 43 77.213 -5.827 37.735 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.785 -5.323 36.149 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.334 -6.052 35.490 1.00 0.00 H new ATOM 660 N GLN A 44 79.922 -7.407 38.531 1.00 0.00 N ATOM 661 CA GLN A 44 80.449 -8.787 38.748 1.00 0.00 C ATOM 662 C GLN A 44 79.544 -9.546 39.717 1.00 0.00 C ATOM 663 O GLN A 44 79.009 -10.587 39.391 1.00 0.00 O ATOM 664 CB GLN A 44 81.870 -8.705 39.311 1.00 0.00 C ATOM 665 CG GLN A 44 82.423 -10.110 39.546 1.00 0.00 C ATOM 666 CD GLN A 44 83.868 -10.009 40.032 1.00 0.00 C ATOM 667 OE1 GLN A 44 84.456 -10.994 40.430 1.00 0.00 O ATOM 668 NE2 GLN A 44 84.468 -8.849 40.023 1.00 0.00 N ATOM 0 H GLN A 44 80.483 -6.655 38.931 1.00 0.00 H new ATOM 0 HA GLN A 44 80.468 -9.321 37.798 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.514 -8.164 38.618 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.867 -8.146 40.246 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.815 -10.634 40.283 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.377 -10.690 38.624 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.974 -8.022 39.689 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.431 -8.770 40.350 1.00 0.00 H new ATOM 677 N LEU A 45 79.360 -9.039 40.900 1.00 0.00 N ATOM 678 CA LEU A 45 78.479 -9.739 41.875 1.00 0.00 C ATOM 679 C LEU A 45 77.022 -9.398 41.547 1.00 0.00 C ATOM 680 O LEU A 45 76.734 -8.369 40.971 1.00 0.00 O ATOM 681 CB LEU A 45 78.816 -9.277 43.297 1.00 0.00 C ATOM 682 CG LEU A 45 80.286 -9.598 43.621 1.00 0.00 C ATOM 683 CD1 LEU A 45 80.610 -9.102 45.036 1.00 0.00 C ATOM 684 CD2 LEU A 45 80.534 -11.119 43.535 1.00 0.00 C ATOM 0 H LEU A 45 79.780 -8.172 41.236 1.00 0.00 H new ATOM 0 HA LEU A 45 78.630 -10.817 41.811 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.640 -8.205 43.391 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.161 -9.772 44.014 1.00 0.00 H new ATOM 0 HG LEU A 45 80.929 -9.098 42.897 1.00 0.00 H new ATOM 0 HD11 LEU A 45 81.650 -9.327 45.271 1.00 0.00 H new ATOM 0 HD12 LEU A 45 80.450 -8.025 45.089 1.00 0.00 H new ATOM 0 HD13 LEU A 45 79.960 -9.601 45.754 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.578 -11.331 43.767 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.892 -11.633 44.250 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.308 -11.468 42.528 1.00 0.00 H new ATOM 696 N LYS A 46 76.103 -10.258 41.890 1.00 0.00 N ATOM 697 CA LYS A 46 74.672 -9.977 41.574 1.00 0.00 C ATOM 698 C LYS A 46 74.119 -8.931 42.543 1.00 0.00 C ATOM 699 O LYS A 46 72.923 -8.811 42.721 1.00 0.00 O ATOM 700 CB LYS A 46 73.851 -11.263 41.695 1.00 0.00 C ATOM 701 CG LYS A 46 74.220 -12.214 40.556 1.00 0.00 C ATOM 702 CD LYS A 46 73.397 -13.500 40.678 1.00 0.00 C ATOM 703 CE LYS A 46 73.761 -14.459 39.541 1.00 0.00 C ATOM 704 NZ LYS A 46 75.038 -15.153 39.866 1.00 0.00 N ATOM 0 H LYS A 46 76.278 -11.139 42.373 1.00 0.00 H new ATOM 0 HA LYS A 46 74.605 -9.597 40.555 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.042 -11.739 42.657 1.00 0.00 H new ATOM 0 HB3 LYS A 46 72.786 -11.032 41.659 1.00 0.00 H new ATOM 0 HG2 LYS A 46 74.030 -11.738 39.594 1.00 0.00 H new ATOM 0 HG3 LYS A 46 75.284 -12.446 40.592 1.00 0.00 H new ATOM 0 HD2 LYS A 46 73.587 -13.974 41.641 1.00 0.00 H new ATOM 0 HD3 LYS A 46 72.333 -13.266 40.642 1.00 0.00 H new ATOM 0 HE2 LYS A 46 72.964 -15.189 39.398 1.00 0.00 H new ATOM 0 HE3 LYS A 46 73.862 -13.909 38.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 75.605 -15.260 39.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 75.570 -14.593 40.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 74.832 -16.092 40.263 1.00 0.00 H new ATOM 718 N GLY A 47 74.976 -8.172 43.173 1.00 0.00 N ATOM 719 CA GLY A 47 74.495 -7.130 44.132 1.00 0.00 C ATOM 720 C GLY A 47 74.500 -7.700 45.549 1.00 0.00 C ATOM 721 O GLY A 47 75.496 -7.645 46.245 1.00 0.00 O ATOM 0 H GLY A 47 75.989 -8.227 43.066 1.00 0.00 H new ATOM 0 HA2 GLY A 47 75.136 -6.250 44.081 1.00 0.00 H new ATOM 0 HA3 GLY A 47 73.489 -6.808 43.862 1.00 0.00 H new ATOM 725 N GLU A 48 73.398 -8.247 45.988 1.00 0.00 N ATOM 726 CA GLU A 48 73.350 -8.817 47.364 1.00 0.00 C ATOM 727 C GLU A 48 73.930 -10.233 47.350 1.00 0.00 C ATOM 728 O GLU A 48 73.561 -11.063 46.542 1.00 0.00 O ATOM 729 CB GLU A 48 71.896 -8.845 47.856 1.00 0.00 C ATOM 730 CG GLU A 48 71.064 -9.805 47.000 1.00 0.00 C ATOM 731 CD GLU A 48 69.583 -9.640 47.344 1.00 0.00 C ATOM 732 OE1 GLU A 48 69.296 -9.067 48.382 1.00 0.00 O ATOM 733 OE2 GLU A 48 68.760 -10.088 46.562 1.00 0.00 O ATOM 0 H GLU A 48 72.532 -8.323 45.455 1.00 0.00 H new ATOM 0 HA GLU A 48 73.941 -8.198 48.039 1.00 0.00 H new ATOM 0 HB2 GLU A 48 71.864 -9.157 48.900 1.00 0.00 H new ATOM 0 HB3 GLU A 48 71.470 -7.843 47.810 1.00 0.00 H new ATOM 0 HG2 GLU A 48 71.228 -9.601 45.942 1.00 0.00 H new ATOM 0 HG3 GLU A 48 71.378 -10.834 47.178 1.00 0.00 H new ATOM 740 N ALA A 49 74.843 -10.511 48.235 1.00 0.00 N ATOM 741 CA ALA A 49 75.452 -11.869 48.281 1.00 0.00 C ATOM 742 C ALA A 49 74.491 -12.826 48.988 1.00 0.00 C ATOM 743 O ALA A 49 74.750 -14.004 49.107 1.00 0.00 O ATOM 744 CB ALA A 49 76.770 -11.812 49.056 1.00 0.00 C ATOM 0 H ALA A 49 75.196 -9.855 48.931 1.00 0.00 H new ATOM 0 HA ALA A 49 75.642 -12.219 47.266 1.00 0.00 H new ATOM 0 HB1 ALA A 49 77.216 -12.806 49.090 1.00 0.00 H new ATOM 0 HB2 ALA A 49 77.454 -11.124 48.560 1.00 0.00 H new ATOM 0 HB3 ALA A 49 76.580 -11.465 50.072 1.00 0.00 H new ATOM 750 N MET A 50 73.393 -12.325 49.471 1.00 0.00 N ATOM 751 CA MET A 50 72.432 -13.201 50.197 1.00 0.00 C ATOM 752 C MET A 50 71.751 -14.168 49.226 1.00 0.00 C ATOM 753 O MET A 50 71.476 -13.840 48.087 1.00 0.00 O ATOM 754 CB MET A 50 71.378 -12.330 50.882 1.00 0.00 C ATOM 755 CG MET A 50 72.030 -11.571 52.040 1.00 0.00 C ATOM 756 SD MET A 50 70.773 -10.633 52.950 1.00 0.00 S ATOM 757 CE MET A 50 70.537 -9.298 51.749 1.00 0.00 C ATOM 0 H MET A 50 73.117 -11.346 49.396 1.00 0.00 H new ATOM 0 HA MET A 50 72.973 -13.783 50.943 1.00 0.00 H new ATOM 0 HB2 MET A 50 70.948 -11.628 50.167 1.00 0.00 H new ATOM 0 HB3 MET A 50 70.561 -12.949 51.251 1.00 0.00 H new ATOM 0 HG2 MET A 50 72.529 -12.271 52.710 1.00 0.00 H new ATOM 0 HG3 MET A 50 72.795 -10.895 51.658 1.00 0.00 H new ATOM 0 HE1 MET A 50 70.036 -8.459 52.232 1.00 0.00 H new ATOM 0 HE2 MET A 50 71.506 -8.973 51.371 1.00 0.00 H new ATOM 0 HE3 MET A 50 69.926 -9.657 50.921 1.00 0.00 H new ATOM 767 N HIS A 51 71.484 -15.365 49.680 1.00 0.00 N ATOM 768 CA HIS A 51 70.828 -16.385 48.811 1.00 0.00 C ATOM 769 C HIS A 51 69.309 -16.265 48.942 1.00 0.00 C ATOM 770 O HIS A 51 68.568 -17.117 48.495 1.00 0.00 O ATOM 771 CB HIS A 51 71.274 -17.788 49.238 1.00 0.00 C ATOM 772 CG HIS A 51 70.969 -18.011 50.697 1.00 0.00 C ATOM 773 ND1 HIS A 51 71.503 -17.470 51.843 1.00 0.00 N flip ATOM 774 CD2 HIS A 51 70.004 -18.916 51.121 1.00 0.00 C flip ATOM 775 CE1 HIS A 51 70.882 -18.029 52.953 1.00 0.00 C flip ATOM 776 NE2 HIS A 51 69.989 -18.893 52.467 1.00 0.00 N flip ATOM 0 H HIS A 51 71.695 -15.682 50.626 1.00 0.00 H new ATOM 0 HA HIS A 51 71.116 -16.217 47.773 1.00 0.00 H new ATOM 0 HB2 HIS A 51 70.765 -18.539 48.634 1.00 0.00 H new ATOM 0 HB3 HIS A 51 72.343 -17.907 49.060 1.00 0.00 H new ATOM 0 HD2 HIS A 51 69.379 -19.527 50.486 1.00 0.00 H new ATOM 0 HE1 HIS A 51 71.081 -17.810 53.992 1.00 0.00 H new ATOM 0 HE2 HIS A 51 69.372 -19.465 53.043 1.00 0.00 H new ATOM 785 N GLY A 52 68.838 -15.212 49.549 1.00 0.00 N ATOM 786 CA GLY A 52 67.367 -15.040 49.698 1.00 0.00 C ATOM 787 C GLY A 52 66.762 -14.672 48.342 1.00 0.00 C ATOM 788 O GLY A 52 66.770 -13.526 47.938 1.00 0.00 O ATOM 0 H GLY A 52 69.407 -14.465 49.947 1.00 0.00 H new ATOM 0 HA2 GLY A 52 66.918 -15.960 50.072 1.00 0.00 H new ATOM 0 HA3 GLY A 52 67.152 -14.260 50.429 1.00 0.00 H new ATOM 792 N GLN A 53 66.235 -15.635 47.635 1.00 0.00 N ATOM 793 CA GLN A 53 65.628 -15.338 46.306 1.00 0.00 C ATOM 794 C GLN A 53 64.230 -14.746 46.517 1.00 0.00 C ATOM 795 O GLN A 53 63.555 -15.056 47.478 1.00 0.00 O ATOM 796 CB GLN A 53 65.527 -16.637 45.490 1.00 0.00 C ATOM 797 CG GLN A 53 66.889 -16.982 44.871 1.00 0.00 C ATOM 798 CD GLN A 53 67.872 -17.392 45.970 1.00 0.00 C ATOM 799 OE1 GLN A 53 68.942 -16.671 46.172 1.00 0.00 O flip ATOM 800 NE2 GLN A 53 67.671 -18.383 46.644 1.00 0.00 N flip ATOM 0 H GLN A 53 66.199 -16.614 47.920 1.00 0.00 H new ATOM 0 HA GLN A 53 66.248 -14.623 45.765 1.00 0.00 H new ATOM 0 HB2 GLN A 53 65.194 -17.453 46.131 1.00 0.00 H new ATOM 0 HB3 GLN A 53 64.780 -16.524 44.704 1.00 0.00 H new ATOM 0 HG2 GLN A 53 66.776 -17.793 44.151 1.00 0.00 H new ATOM 0 HG3 GLN A 53 67.278 -16.123 44.325 1.00 0.00 H new ATOM 0 HE21 GLN A 53 66.835 -18.946 46.486 1.00 0.00 H new ATOM 0 HE22 GLN A 53 68.338 -18.652 47.367 1.00 0.00 H new ATOM 809 N VAL A 54 63.791 -13.891 45.629 1.00 0.00 N ATOM 810 CA VAL A 54 62.437 -13.273 45.785 1.00 0.00 C ATOM 811 C VAL A 54 61.399 -14.109 45.035 1.00 0.00 C ATOM 812 O VAL A 54 60.215 -14.020 45.290 1.00 0.00 O ATOM 813 CB VAL A 54 62.453 -11.858 45.203 1.00 0.00 C ATOM 814 CG1 VAL A 54 62.726 -11.929 43.699 1.00 0.00 C ATOM 815 CG2 VAL A 54 61.095 -11.194 45.441 1.00 0.00 C ATOM 0 H VAL A 54 64.310 -13.593 44.803 1.00 0.00 H new ATOM 0 HA VAL A 54 62.180 -13.235 46.844 1.00 0.00 H new ATOM 0 HB VAL A 54 63.235 -11.274 45.689 1.00 0.00 H new ATOM 0 HG11 VAL A 54 62.738 -10.921 43.283 1.00 0.00 H new ATOM 0 HG12 VAL A 54 63.692 -12.404 43.527 1.00 0.00 H new ATOM 0 HG13 VAL A 54 61.943 -12.512 43.214 1.00 0.00 H new ATOM 0 HG21 VAL A 54 61.105 -10.186 45.027 1.00 0.00 H new ATOM 0 HG22 VAL A 54 60.314 -11.778 44.954 1.00 0.00 H new ATOM 0 HG23 VAL A 54 60.897 -11.144 46.512 1.00 0.00 H new ATOM 825 N ASP A 55 61.831 -14.927 44.110 1.00 0.00 N ATOM 826 CA ASP A 55 60.866 -15.771 43.344 1.00 0.00 C ATOM 827 C ASP A 55 60.715 -17.127 44.037 1.00 0.00 C ATOM 828 O ASP A 55 60.411 -18.090 43.352 1.00 0.00 O ATOM 829 CB ASP A 55 61.391 -15.978 41.921 1.00 0.00 C ATOM 830 CG ASP A 55 62.723 -16.728 41.972 1.00 0.00 C ATOM 831 OD1 ASP A 55 63.642 -16.222 42.594 1.00 0.00 O ATOM 832 OD2 ASP A 55 62.800 -17.798 41.390 1.00 0.00 O ATOM 833 OXT ASP A 55 60.905 -17.178 45.241 1.00 0.00 O ATOM 0 H ASP A 55 62.811 -15.047 43.852 1.00 0.00 H new ATOM 0 HA ASP A 55 59.897 -15.274 43.305 1.00 0.00 H new ATOM 0 HB2 ASP A 55 60.667 -16.542 41.333 1.00 0.00 H new ATOM 0 HB3 ASP A 55 61.522 -15.015 41.427 1.00 0.00 H new TER 838 ASP A 55 ATOM 839 N PHE B 1 95.903 -11.386 22.794 1.00 0.00 N ATOM 840 CA PHE B 1 94.921 -12.473 23.076 1.00 0.00 C ATOM 841 C PHE B 1 95.385 -13.752 22.379 1.00 0.00 C ATOM 842 O PHE B 1 95.279 -13.891 21.177 1.00 0.00 O ATOM 843 CB PHE B 1 93.544 -12.055 22.561 1.00 0.00 C ATOM 844 CG PHE B 1 93.333 -10.583 22.849 1.00 0.00 C ATOM 845 CD1 PHE B 1 93.132 -10.146 24.164 1.00 0.00 C ATOM 846 CD2 PHE B 1 93.341 -9.655 21.798 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.939 -8.784 24.428 1.00 0.00 C ATOM 848 CE2 PHE B 1 93.147 -8.293 22.063 1.00 0.00 C ATOM 849 CZ PHE B 1 92.946 -7.859 23.379 1.00 0.00 C ATOM 0 H1 PHE B 1 96.402 -11.133 23.671 1.00 0.00 H new ATOM 0 H2 PHE B 1 96.591 -11.714 22.086 1.00 0.00 H new ATOM 0 H3 PHE B 1 95.402 -10.552 22.428 1.00 0.00 H new ATOM 0 HA PHE B 1 94.854 -12.654 24.149 1.00 0.00 H new ATOM 0 HB2 PHE B 1 93.470 -12.243 21.490 1.00 0.00 H new ATOM 0 HB3 PHE B 1 92.766 -12.648 23.043 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.126 -10.859 24.975 1.00 0.00 H new ATOM 0 HD2 PHE B 1 93.497 -9.990 20.783 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.785 -8.448 25.443 1.00 0.00 H new ATOM 0 HE2 PHE B 1 93.152 -7.579 21.253 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.796 -6.809 23.584 1.00 0.00 H new ATOM 861 N LEU B 2 95.921 -14.675 23.131 1.00 0.00 N ATOM 862 CA LEU B 2 96.430 -15.949 22.535 1.00 0.00 C ATOM 863 C LEU B 2 95.454 -17.093 22.762 1.00 0.00 C ATOM 864 O LEU B 2 94.849 -17.215 23.802 1.00 0.00 O ATOM 865 CB LEU B 2 97.772 -16.308 23.177 1.00 0.00 C ATOM 866 CG LEU B 2 98.791 -15.189 22.926 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.083 -15.512 23.682 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.089 -15.068 21.419 1.00 0.00 C ATOM 0 H LEU B 2 96.030 -14.602 24.143 1.00 0.00 H new ATOM 0 HA LEU B 2 96.547 -15.799 21.462 1.00 0.00 H new ATOM 0 HB2 LEU B 2 97.643 -16.459 24.249 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.142 -17.247 22.765 1.00 0.00 H new ATOM 0 HG LEU B 2 98.381 -14.242 23.278 1.00 0.00 H new ATOM 0 HD11 LEU B 2 100.813 -14.721 23.509 1.00 0.00 H new ATOM 0 HD12 LEU B 2 99.872 -15.584 24.749 1.00 0.00 H new ATOM 0 HD13 LEU B 2 100.485 -16.461 23.327 1.00 0.00 H new ATOM 0 HD21 LEU B 2 99.813 -14.270 21.254 1.00 0.00 H new ATOM 0 HD22 LEU B 2 99.497 -16.010 21.052 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.168 -14.838 20.883 1.00 0.00 H new ATOM 880 N ASP B 3 95.331 -17.955 21.793 1.00 0.00 N ATOM 881 CA ASP B 3 94.428 -19.126 21.941 1.00 0.00 C ATOM 882 C ASP B 3 94.913 -19.949 23.130 1.00 0.00 C ATOM 883 O ASP B 3 94.132 -20.471 23.900 1.00 0.00 O ATOM 884 CB ASP B 3 94.470 -19.980 20.670 1.00 0.00 C ATOM 885 CG ASP B 3 93.784 -19.233 19.525 1.00 0.00 C ATOM 886 OD1 ASP B 3 92.980 -18.362 19.811 1.00 0.00 O ATOM 887 OD2 ASP B 3 94.072 -19.548 18.382 1.00 0.00 O ATOM 0 H ASP B 3 95.821 -17.897 20.900 1.00 0.00 H new ATOM 0 HA ASP B 3 93.403 -18.793 22.102 1.00 0.00 H new ATOM 0 HB2 ASP B 3 95.503 -20.203 20.404 1.00 0.00 H new ATOM 0 HB3 ASP B 3 93.972 -20.934 20.845 1.00 0.00 H new ATOM 892 N GLY B 4 96.207 -20.053 23.297 1.00 0.00 N ATOM 893 CA GLY B 4 96.756 -20.823 24.451 1.00 0.00 C ATOM 894 C GLY B 4 96.027 -20.398 25.728 1.00 0.00 C ATOM 895 O GLY B 4 96.097 -21.056 26.747 1.00 0.00 O ATOM 0 H GLY B 4 96.907 -19.637 22.683 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.629 -21.893 24.284 1.00 0.00 H new ATOM 0 HA3 GLY B 4 97.826 -20.640 24.550 1.00 0.00 H new ATOM 899 N ILE B 5 95.310 -19.309 25.668 1.00 0.00 N ATOM 900 CA ILE B 5 94.551 -18.839 26.857 1.00 0.00 C ATOM 901 C ILE B 5 93.552 -19.927 27.262 1.00 0.00 C ATOM 902 O ILE B 5 93.332 -20.177 28.430 1.00 0.00 O ATOM 903 CB ILE B 5 93.826 -17.526 26.509 1.00 0.00 C ATOM 904 CG1 ILE B 5 94.845 -16.381 26.503 1.00 0.00 C ATOM 905 CG2 ILE B 5 92.720 -17.233 27.535 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.213 -15.136 25.876 1.00 0.00 C ATOM 0 H ILE B 5 95.218 -18.722 24.839 1.00 0.00 H new ATOM 0 HA ILE B 5 95.224 -18.648 27.693 1.00 0.00 H new ATOM 0 HB ILE B 5 93.366 -17.620 25.525 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.169 -16.164 27.521 1.00 0.00 H new ATOM 0 HG13 ILE B 5 95.732 -16.673 25.941 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.218 -16.301 27.273 1.00 0.00 H new ATOM 0 HG22 ILE B 5 91.996 -18.048 27.533 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.160 -17.142 28.528 1.00 0.00 H new ATOM 0 HD11 ILE B 5 94.938 -14.322 25.872 1.00 0.00 H new ATOM 0 HD12 ILE B 5 93.911 -15.358 24.852 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.339 -14.840 26.456 1.00 0.00 H new ATOM 918 N ASP B 6 92.960 -20.583 26.305 1.00 0.00 N ATOM 919 CA ASP B 6 91.989 -21.665 26.633 1.00 0.00 C ATOM 920 C ASP B 6 92.700 -22.748 27.444 1.00 0.00 C ATOM 921 O ASP B 6 92.154 -23.301 28.377 1.00 0.00 O ATOM 922 CB ASP B 6 91.436 -22.270 25.340 1.00 0.00 C ATOM 923 CG ASP B 6 90.519 -21.257 24.653 1.00 0.00 C ATOM 924 OD1 ASP B 6 90.026 -20.375 25.337 1.00 0.00 O ATOM 925 OD2 ASP B 6 90.324 -21.380 23.455 1.00 0.00 O ATOM 0 H ASP B 6 93.106 -20.418 25.309 1.00 0.00 H new ATOM 0 HA ASP B 6 91.165 -21.253 27.216 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.255 -22.544 24.675 1.00 0.00 H new ATOM 0 HB3 ASP B 6 90.885 -23.184 25.561 1.00 0.00 H new ATOM 930 N LYS B 7 93.919 -23.051 27.098 1.00 0.00 N ATOM 931 CA LYS B 7 94.675 -24.093 27.845 1.00 0.00 C ATOM 932 C LYS B 7 94.802 -23.664 29.310 1.00 0.00 C ATOM 933 O LYS B 7 94.745 -24.475 30.213 1.00 0.00 O ATOM 934 CB LYS B 7 96.068 -24.251 27.223 1.00 0.00 C ATOM 935 CG LYS B 7 96.851 -25.338 27.966 1.00 0.00 C ATOM 936 CD LYS B 7 98.229 -25.505 27.320 1.00 0.00 C ATOM 937 CE LYS B 7 99.012 -26.592 28.058 1.00 0.00 C ATOM 938 NZ LYS B 7 100.271 -26.884 27.316 1.00 0.00 N ATOM 0 H LYS B 7 94.427 -22.619 26.326 1.00 0.00 H new ATOM 0 HA LYS B 7 94.150 -25.047 27.792 1.00 0.00 H new ATOM 0 HB2 LYS B 7 95.977 -24.512 26.169 1.00 0.00 H new ATOM 0 HB3 LYS B 7 96.607 -23.305 27.272 1.00 0.00 H new ATOM 0 HG2 LYS B 7 96.960 -25.069 29.017 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.305 -26.281 27.933 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.119 -25.772 26.269 1.00 0.00 H new ATOM 0 HD3 LYS B 7 98.775 -24.562 27.355 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.242 -26.265 29.072 1.00 0.00 H new ATOM 0 HE3 LYS B 7 98.409 -27.496 28.143 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 100.805 -27.623 27.816 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 100.040 -27.213 26.357 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 100.847 -26.020 27.257 1.00 0.00 H new ATOM 952 N ALA B 8 94.978 -22.394 29.552 1.00 0.00 N ATOM 953 CA ALA B 8 95.113 -21.910 30.954 1.00 0.00 C ATOM 954 C ALA B 8 93.852 -22.255 31.754 1.00 0.00 C ATOM 955 O ALA B 8 93.923 -22.574 32.924 1.00 0.00 O ATOM 956 CB ALA B 8 95.315 -20.392 30.951 1.00 0.00 C ATOM 0 H ALA B 8 95.034 -21.669 28.837 1.00 0.00 H new ATOM 0 HA ALA B 8 95.972 -22.395 31.417 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.414 -20.036 31.976 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.218 -20.146 30.393 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.457 -19.912 30.482 1.00 0.00 H new ATOM 962 N GLN B 9 92.695 -22.192 31.145 1.00 0.00 N ATOM 963 CA GLN B 9 91.452 -22.517 31.902 1.00 0.00 C ATOM 964 C GLN B 9 91.530 -23.955 32.420 1.00 0.00 C ATOM 965 O GLN B 9 91.156 -24.243 33.539 1.00 0.00 O ATOM 966 CB GLN B 9 90.228 -22.371 30.992 1.00 0.00 C ATOM 967 CG GLN B 9 89.993 -20.892 30.680 1.00 0.00 C ATOM 968 CD GLN B 9 88.731 -20.742 29.826 1.00 0.00 C ATOM 969 OE1 GLN B 9 88.813 -20.861 28.531 1.00 0.00 O flip ATOM 970 NE2 GLN B 9 87.657 -20.516 30.346 1.00 0.00 N flip ATOM 0 H GLN B 9 92.559 -21.933 30.168 1.00 0.00 H new ATOM 0 HA GLN B 9 91.358 -21.828 32.741 1.00 0.00 H new ATOM 0 HB2 GLN B 9 90.381 -22.928 30.068 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.349 -22.795 31.478 1.00 0.00 H new ATOM 0 HG2 GLN B 9 89.887 -20.327 31.606 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.853 -20.480 30.152 1.00 0.00 H new ATOM 0 HE21 GLN B 9 87.591 -20.423 31.360 1.00 0.00 H new ATOM 0 HE22 GLN B 9 86.821 -20.420 29.769 1.00 0.00 H new ATOM 979 N GLU B 10 92.023 -24.856 31.618 1.00 0.00 N ATOM 980 CA GLU B 10 92.137 -26.272 32.067 1.00 0.00 C ATOM 981 C GLU B 10 93.049 -26.347 33.296 1.00 0.00 C ATOM 982 O GLU B 10 92.807 -27.102 34.217 1.00 0.00 O ATOM 983 CB GLU B 10 92.722 -27.121 30.931 1.00 0.00 C ATOM 984 CG GLU B 10 92.844 -28.581 31.382 1.00 0.00 C ATOM 985 CD GLU B 10 93.346 -29.432 30.214 1.00 0.00 C ATOM 986 OE1 GLU B 10 93.424 -28.908 29.115 1.00 0.00 O ATOM 987 OE2 GLU B 10 93.640 -30.595 30.438 1.00 0.00 O ATOM 0 H GLU B 10 92.352 -24.673 30.670 1.00 0.00 H new ATOM 0 HA GLU B 10 91.150 -26.654 32.330 1.00 0.00 H new ATOM 0 HB2 GLU B 10 92.084 -27.055 30.050 1.00 0.00 H new ATOM 0 HB3 GLU B 10 93.701 -26.736 30.645 1.00 0.00 H new ATOM 0 HG2 GLU B 10 93.532 -28.657 32.224 1.00 0.00 H new ATOM 0 HG3 GLU B 10 91.877 -28.949 31.726 1.00 0.00 H new ATOM 994 N GLU B 11 94.114 -25.588 33.301 1.00 0.00 N ATOM 995 CA GLU B 11 95.074 -25.626 34.450 1.00 0.00 C ATOM 996 C GLU B 11 94.787 -24.498 35.449 1.00 0.00 C ATOM 997 O GLU B 11 95.524 -24.306 36.396 1.00 0.00 O ATOM 998 CB GLU B 11 96.495 -25.458 33.909 1.00 0.00 C ATOM 999 CG GLU B 11 96.888 -26.695 33.102 1.00 0.00 C ATOM 1000 CD GLU B 11 97.073 -27.885 34.045 1.00 0.00 C ATOM 1001 OE1 GLU B 11 97.227 -27.656 35.233 1.00 0.00 O ATOM 1002 OE2 GLU B 11 97.056 -29.006 33.563 1.00 0.00 O ATOM 0 H GLU B 11 94.363 -24.939 32.555 1.00 0.00 H new ATOM 0 HA GLU B 11 94.963 -26.580 34.965 1.00 0.00 H new ATOM 0 HB2 GLU B 11 96.553 -24.569 33.281 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.193 -25.312 34.733 1.00 0.00 H new ATOM 0 HG2 GLU B 11 96.118 -26.919 32.363 1.00 0.00 H new ATOM 0 HG3 GLU B 11 97.811 -26.506 32.553 1.00 0.00 H new ATOM 1009 N CYS B 12 93.736 -23.746 35.261 1.00 0.00 N ATOM 1010 CA CYS B 12 93.442 -22.639 36.223 1.00 0.00 C ATOM 1011 C CYS B 12 93.514 -23.168 37.657 1.00 0.00 C ATOM 1012 O CYS B 12 94.031 -22.519 38.545 1.00 0.00 O ATOM 1013 CB CYS B 12 92.041 -22.087 35.961 1.00 0.00 C ATOM 1014 SG CYS B 12 91.692 -20.748 37.128 1.00 0.00 S ATOM 0 H CYS B 12 93.073 -23.846 34.492 1.00 0.00 H new ATOM 0 HA CYS B 12 94.178 -21.846 36.089 1.00 0.00 H new ATOM 0 HB2 CYS B 12 91.969 -21.720 34.937 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.300 -22.879 36.068 1.00 0.00 H new ATOM 1019 N GLU B 13 92.999 -24.342 37.885 1.00 0.00 N ATOM 1020 CA GLU B 13 93.032 -24.922 39.257 1.00 0.00 C ATOM 1021 C GLU B 13 94.488 -25.062 39.710 1.00 0.00 C ATOM 1022 O GLU B 13 94.820 -24.820 40.852 1.00 0.00 O ATOM 1023 CB GLU B 13 92.351 -26.296 39.237 1.00 0.00 C ATOM 1024 CG GLU B 13 92.369 -26.912 40.638 1.00 0.00 C ATOM 1025 CD GLU B 13 91.684 -28.279 40.599 1.00 0.00 C ATOM 1026 OE1 GLU B 13 90.481 -28.323 40.794 1.00 0.00 O ATOM 1027 OE2 GLU B 13 92.374 -29.259 40.368 1.00 0.00 O ATOM 0 H GLU B 13 92.555 -24.928 37.178 1.00 0.00 H new ATOM 0 HA GLU B 13 92.504 -24.270 39.953 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.323 -26.196 38.888 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.863 -26.954 38.535 1.00 0.00 H new ATOM 0 HG2 GLU B 13 93.396 -27.017 40.988 1.00 0.00 H new ATOM 0 HG3 GLU B 13 91.857 -26.256 41.343 1.00 0.00 H new ATOM 1034 N LYS B 14 95.354 -25.463 38.823 1.00 0.00 N ATOM 1035 CA LYS B 14 96.787 -25.631 39.194 1.00 0.00 C ATOM 1036 C LYS B 14 97.375 -24.288 39.644 1.00 0.00 C ATOM 1037 O LYS B 14 98.177 -24.231 40.555 1.00 0.00 O ATOM 1038 CB LYS B 14 97.565 -26.162 37.988 1.00 0.00 C ATOM 1039 CG LYS B 14 99.022 -26.402 38.386 1.00 0.00 C ATOM 1040 CD LYS B 14 99.772 -27.038 37.215 1.00 0.00 C ATOM 1041 CE LYS B 14 101.238 -27.249 37.599 1.00 0.00 C ATOM 1042 NZ LYS B 14 101.317 -28.044 38.858 1.00 0.00 N ATOM 0 H LYS B 14 95.130 -25.683 37.852 1.00 0.00 H new ATOM 0 HA LYS B 14 96.865 -26.341 40.017 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.117 -27.090 37.632 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.514 -25.448 37.166 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.494 -25.460 38.665 1.00 0.00 H new ATOM 0 HG3 LYS B 14 99.069 -27.053 39.259 1.00 0.00 H new ATOM 0 HD2 LYS B 14 99.314 -27.991 36.951 1.00 0.00 H new ATOM 0 HD3 LYS B 14 99.704 -26.397 36.336 1.00 0.00 H new ATOM 0 HE2 LYS B 14 101.763 -27.767 36.797 1.00 0.00 H new ATOM 0 HE3 LYS B 14 101.731 -26.286 37.734 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 102.157 -28.657 38.830 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.386 -27.400 39.672 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 100.464 -28.631 38.952 1.00 0.00 H new ATOM 1056 N TYR B 15 96.994 -23.208 39.013 1.00 0.00 N ATOM 1057 CA TYR B 15 97.547 -21.878 39.416 1.00 0.00 C ATOM 1058 C TYR B 15 96.728 -21.314 40.579 1.00 0.00 C ATOM 1059 O TYR B 15 97.185 -20.460 41.312 1.00 0.00 O ATOM 1060 CB TYR B 15 97.478 -20.912 38.231 1.00 0.00 C ATOM 1061 CG TYR B 15 98.415 -21.380 37.144 1.00 0.00 C ATOM 1062 CD1 TYR B 15 99.772 -21.038 37.197 1.00 0.00 C ATOM 1063 CD2 TYR B 15 97.932 -22.159 36.085 1.00 0.00 C ATOM 1064 CE1 TYR B 15 100.645 -21.473 36.194 1.00 0.00 C ATOM 1065 CE2 TYR B 15 98.805 -22.594 35.080 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.161 -22.251 35.134 1.00 0.00 C ATOM 1067 OH TYR B 15 101.022 -22.681 34.144 1.00 0.00 O ATOM 0 H TYR B 15 96.328 -23.187 38.241 1.00 0.00 H new ATOM 0 HA TYR B 15 98.585 -21.999 39.726 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.458 -20.860 37.849 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.750 -19.906 38.552 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.145 -20.438 38.013 1.00 0.00 H new ATOM 0 HD2 TYR B 15 96.886 -22.424 36.043 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.691 -21.209 36.237 1.00 0.00 H new ATOM 0 HE2 TYR B 15 98.432 -23.194 34.263 1.00 0.00 H new ATOM 0 HH TYR B 15 101.889 -22.235 34.248 1.00 0.00 H new ATOM 1077 N HIS B 16 95.526 -21.795 40.760 1.00 0.00 N ATOM 1078 CA HIS B 16 94.673 -21.309 41.885 1.00 0.00 C ATOM 1079 C HIS B 16 94.464 -19.796 41.778 1.00 0.00 C ATOM 1080 O HIS B 16 94.241 -19.261 40.710 1.00 0.00 O ATOM 1081 CB HIS B 16 95.337 -21.643 43.225 1.00 0.00 C ATOM 1082 CG HIS B 16 95.655 -23.112 43.270 1.00 0.00 C ATOM 1083 ND1 HIS B 16 96.846 -23.626 42.776 1.00 0.00 N ATOM 1084 CD2 HIS B 16 94.947 -24.190 43.741 1.00 0.00 C ATOM 1085 CE1 HIS B 16 96.819 -24.960 42.959 1.00 0.00 C ATOM 1086 NE2 HIS B 16 95.684 -25.351 43.542 1.00 0.00 N ATOM 0 H HIS B 16 95.095 -22.509 40.172 1.00 0.00 H new ATOM 0 HA HIS B 16 93.704 -21.805 41.828 1.00 0.00 H new ATOM 0 HB2 HIS B 16 96.248 -21.058 43.348 1.00 0.00 H new ATOM 0 HB3 HIS B 16 94.674 -21.377 44.049 1.00 0.00 H new ATOM 0 HD1 HIS B 16 97.604 -23.091 42.352 1.00 0.00 H new ATOM 0 HD2 HIS B 16 93.969 -24.143 44.196 1.00 0.00 H new ATOM 0 HE1 HIS B 16 97.616 -25.629 42.670 1.00 0.00 H new ATOM 1095 N SER B 17 94.523 -19.108 42.887 1.00 0.00 N ATOM 1096 CA SER B 17 94.317 -17.632 42.875 1.00 0.00 C ATOM 1097 C SER B 17 95.625 -16.926 42.510 1.00 0.00 C ATOM 1098 O SER B 17 95.680 -15.715 42.422 1.00 0.00 O ATOM 1099 CB SER B 17 93.860 -17.175 44.260 1.00 0.00 C ATOM 1100 OG SER B 17 92.639 -17.829 44.590 1.00 0.00 O ATOM 0 H SER B 17 94.706 -19.509 43.807 1.00 0.00 H new ATOM 0 HA SER B 17 93.557 -17.380 42.135 1.00 0.00 H new ATOM 0 HB2 SER B 17 94.623 -17.407 45.003 1.00 0.00 H new ATOM 0 HB3 SER B 17 93.722 -16.094 44.272 1.00 0.00 H new ATOM 0 HG SER B 17 92.343 -17.540 45.478 1.00 0.00 H new ATOM 1106 N ASN B 18 96.680 -17.666 42.294 1.00 0.00 N ATOM 1107 CA ASN B 18 97.974 -17.019 41.931 1.00 0.00 C ATOM 1108 C ASN B 18 97.970 -16.702 40.436 1.00 0.00 C ATOM 1109 O ASN B 18 98.584 -17.390 39.646 1.00 0.00 O ATOM 1110 CB ASN B 18 99.132 -17.971 42.238 1.00 0.00 C ATOM 1111 CG ASN B 18 99.300 -18.112 43.751 1.00 0.00 C ATOM 1112 OD1 ASN B 18 98.850 -17.274 44.508 1.00 0.00 O ATOM 1113 ND2 ASN B 18 99.941 -19.145 44.227 1.00 0.00 N ATOM 0 H ASN B 18 96.702 -18.684 42.353 1.00 0.00 H new ATOM 0 HA ASN B 18 98.096 -16.102 42.508 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.941 -18.947 41.792 1.00 0.00 H new ATOM 0 HB3 ASN B 18 100.053 -17.593 41.794 1.00 0.00 H new ATOM 0 HD21 ASN B 18 100.064 -19.249 45.234 1.00 0.00 H new ATOM 0 HD22 ASN B 18 100.318 -19.848 43.592 1.00 0.00 H new ATOM 1120 N TRP B 19 97.282 -15.667 40.041 1.00 0.00 N ATOM 1121 CA TRP B 19 97.242 -15.317 38.596 1.00 0.00 C ATOM 1122 C TRP B 19 98.613 -14.791 38.156 1.00 0.00 C ATOM 1123 O TRP B 19 98.982 -14.887 37.002 1.00 0.00 O ATOM 1124 CB TRP B 19 96.170 -14.250 38.350 1.00 0.00 C ATOM 1125 CG TRP B 19 96.474 -13.016 39.140 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.992 -12.743 40.374 1.00 0.00 C ATOM 1127 CD2 TRP B 19 97.317 -11.887 38.769 1.00 0.00 C ATOM 1128 NE1 TRP B 19 96.480 -11.513 40.781 1.00 0.00 N ATOM 1129 CE2 TRP B 19 97.303 -10.948 39.828 1.00 0.00 C ATOM 1130 CE3 TRP B 19 98.083 -11.589 37.628 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 98.024 -9.756 39.757 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 98.811 -10.390 37.554 1.00 0.00 C ATOM 1133 CH2 TRP B 19 98.782 -9.475 38.617 1.00 0.00 C ATOM 0 H TRP B 19 96.748 -15.051 40.654 1.00 0.00 H new ATOM 0 HA TRP B 19 96.997 -16.207 38.016 1.00 0.00 H new ATOM 0 HB2 TRP B 19 96.125 -14.008 37.288 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.191 -14.637 38.631 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.335 -13.380 40.947 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.258 -11.077 41.676 1.00 0.00 H new ATOM 0 HE3 TRP B 19 98.112 -12.286 36.804 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.997 -9.055 40.578 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.397 -10.171 36.673 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.344 -8.555 38.554 1.00 0.00 H new ATOM 1144 N ARG B 20 99.367 -14.231 39.064 1.00 0.00 N ATOM 1145 CA ARG B 20 100.711 -13.694 38.698 1.00 0.00 C ATOM 1146 C ARG B 20 101.600 -14.812 38.147 1.00 0.00 C ATOM 1147 O ARG B 20 102.317 -14.628 37.183 1.00 0.00 O ATOM 1148 CB ARG B 20 101.370 -13.099 39.940 1.00 0.00 C ATOM 1149 CG ARG B 20 100.641 -11.819 40.347 1.00 0.00 C ATOM 1150 CD ARG B 20 101.308 -11.233 41.591 1.00 0.00 C ATOM 1151 NE ARG B 20 100.599 -9.992 42.007 1.00 0.00 N ATOM 1152 CZ ARG B 20 100.769 -9.523 43.212 1.00 0.00 C ATOM 1153 NH1 ARG B 20 101.551 -10.147 44.049 1.00 0.00 N ATOM 1154 NH2 ARG B 20 100.156 -8.432 43.582 1.00 0.00 N ATOM 0 H ARG B 20 99.110 -14.122 40.045 1.00 0.00 H new ATOM 0 HA ARG B 20 100.588 -12.927 37.933 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.344 -13.819 40.758 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.419 -12.883 39.739 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.668 -11.096 39.531 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.592 -12.033 40.549 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.290 -11.962 42.401 1.00 0.00 H new ATOM 0 HD3 ARG B 20 102.355 -11.012 41.383 1.00 0.00 H new ATOM 0 HE ARG B 20 99.983 -9.510 41.352 1.00 0.00 H new ATOM 0 HH11 ARG B 20 102.029 -11.001 43.761 1.00 0.00 H new ATOM 0 HH12 ARG B 20 101.685 -9.781 44.992 1.00 0.00 H new ATOM 0 HH21 ARG B 20 99.543 -7.945 42.928 1.00 0.00 H new ATOM 0 HH22 ARG B 20 100.290 -8.066 44.525 1.00 0.00 H new ATOM 1168 N ALA B 21 101.568 -15.968 38.750 1.00 0.00 N ATOM 1169 CA ALA B 21 102.423 -17.083 38.252 1.00 0.00 C ATOM 1170 C ALA B 21 101.966 -17.477 36.850 1.00 0.00 C ATOM 1171 O ALA B 21 102.759 -17.625 35.942 1.00 0.00 O ATOM 1172 CB ALA B 21 102.290 -18.285 39.190 1.00 0.00 C ATOM 0 H ALA B 21 100.991 -16.189 39.561 1.00 0.00 H new ATOM 0 HA ALA B 21 103.464 -16.762 38.221 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.915 -19.101 38.827 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.610 -18.001 40.193 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.250 -18.610 39.220 1.00 0.00 H new ATOM 1178 N MET B 22 100.687 -17.640 36.666 1.00 0.00 N ATOM 1179 CA MET B 22 100.166 -18.016 35.325 1.00 0.00 C ATOM 1180 C MET B 22 100.529 -16.923 34.314 1.00 0.00 C ATOM 1181 O MET B 22 100.959 -17.200 33.214 1.00 0.00 O ATOM 1182 CB MET B 22 98.645 -18.169 35.414 1.00 0.00 C ATOM 1183 CG MET B 22 98.072 -18.557 34.048 1.00 0.00 C ATOM 1184 SD MET B 22 96.279 -18.771 34.186 1.00 0.00 S ATOM 1185 CE MET B 22 95.868 -17.066 34.632 1.00 0.00 C ATOM 0 H MET B 22 99.977 -17.528 37.390 1.00 0.00 H new ATOM 0 HA MET B 22 100.607 -18.958 34.999 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.391 -18.930 36.152 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.197 -17.235 35.752 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.302 -17.786 33.313 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.533 -19.480 33.697 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.819 -16.874 34.407 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.044 -16.916 35.697 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.493 -16.380 34.060 1.00 0.00 H new ATOM 1195 N ALA B 23 100.369 -15.683 34.679 1.00 0.00 N ATOM 1196 CA ALA B 23 100.710 -14.581 33.734 1.00 0.00 C ATOM 1197 C ALA B 23 102.182 -14.692 33.326 1.00 0.00 C ATOM 1198 O ALA B 23 102.538 -14.471 32.186 1.00 0.00 O ATOM 1199 CB ALA B 23 100.466 -13.230 34.413 1.00 0.00 C ATOM 0 H ALA B 23 100.018 -15.383 35.589 1.00 0.00 H new ATOM 0 HA ALA B 23 100.082 -14.658 32.846 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.715 -12.425 33.722 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.417 -13.151 34.699 1.00 0.00 H new ATOM 0 HB3 ALA B 23 101.091 -13.151 35.302 1.00 0.00 H new ATOM 1205 N SER B 24 103.040 -15.024 34.250 1.00 0.00 N ATOM 1206 CA SER B 24 104.490 -15.142 33.919 1.00 0.00 C ATOM 1207 C SER B 24 104.718 -16.319 32.966 1.00 0.00 C ATOM 1208 O SER B 24 105.536 -16.249 32.071 1.00 0.00 O ATOM 1209 CB SER B 24 105.293 -15.360 35.202 1.00 0.00 C ATOM 1210 OG SER B 24 106.674 -15.469 34.877 1.00 0.00 O ATOM 0 H SER B 24 102.800 -15.219 35.222 1.00 0.00 H new ATOM 0 HA SER B 24 104.819 -14.223 33.434 1.00 0.00 H new ATOM 0 HB2 SER B 24 105.134 -14.530 35.890 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.954 -16.264 35.708 1.00 0.00 H new ATOM 0 HG SER B 24 107.193 -15.607 35.697 1.00 0.00 H new ATOM 1216 N ASP B 25 104.013 -17.402 33.149 1.00 0.00 N ATOM 1217 CA ASP B 25 104.215 -18.574 32.247 1.00 0.00 C ATOM 1218 C ASP B 25 103.682 -18.254 30.850 1.00 0.00 C ATOM 1219 O ASP B 25 104.286 -18.600 29.855 1.00 0.00 O ATOM 1220 CB ASP B 25 103.475 -19.790 32.807 1.00 0.00 C ATOM 1221 CG ASP B 25 104.183 -20.285 34.069 1.00 0.00 C ATOM 1222 OD1 ASP B 25 105.339 -19.938 34.251 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.560 -21.004 34.831 1.00 0.00 O ATOM 0 H ASP B 25 103.311 -17.527 33.878 1.00 0.00 H new ATOM 0 HA ASP B 25 105.281 -18.794 32.184 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.443 -19.526 33.037 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.443 -20.584 32.061 1.00 0.00 H new ATOM 1228 N PHE B 26 102.564 -17.583 30.762 1.00 0.00 N ATOM 1229 CA PHE B 26 102.005 -17.230 29.420 1.00 0.00 C ATOM 1230 C PHE B 26 102.469 -15.818 29.039 1.00 0.00 C ATOM 1231 O PHE B 26 102.242 -15.353 27.940 1.00 0.00 O ATOM 1232 CB PHE B 26 100.474 -17.280 29.463 1.00 0.00 C ATOM 1233 CG PHE B 26 100.008 -18.715 29.593 1.00 0.00 C ATOM 1234 CD1 PHE B 26 99.767 -19.483 28.446 1.00 0.00 C ATOM 1235 CD2 PHE B 26 99.814 -19.282 30.860 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.335 -20.808 28.565 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.381 -20.607 30.978 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.142 -21.371 29.831 1.00 0.00 C ATOM 0 H PHE B 26 102.013 -17.264 31.559 1.00 0.00 H new ATOM 0 HA PHE B 26 102.359 -17.945 28.677 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.106 -16.692 30.303 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.061 -16.835 28.557 1.00 0.00 H new ATOM 0 HD1 PHE B 26 99.915 -19.051 27.467 1.00 0.00 H new ATOM 0 HD2 PHE B 26 99.999 -18.695 31.747 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.150 -21.397 27.679 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.231 -21.040 31.956 1.00 0.00 H new ATOM 0 HZ PHE B 26 98.809 -22.394 29.923 1.00 0.00 H new ATOM 1248 N ASN B 27 103.134 -15.142 29.940 1.00 0.00 N ATOM 1249 CA ASN B 27 103.637 -13.767 29.637 1.00 0.00 C ATOM 1250 C ASN B 27 102.499 -12.877 29.126 1.00 0.00 C ATOM 1251 O ASN B 27 102.666 -12.131 28.181 1.00 0.00 O ATOM 1252 CB ASN B 27 104.735 -13.849 28.575 1.00 0.00 C ATOM 1253 CG ASN B 27 105.886 -14.711 29.095 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.374 -14.479 30.284 1.00 0.00 O flip ATOM 1255 ND2 ASN B 27 106.346 -15.608 28.416 1.00 0.00 N flip ATOM 0 H ASN B 27 103.351 -15.484 30.876 1.00 0.00 H new ATOM 0 HA ASN B 27 104.038 -13.332 30.552 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.335 -14.275 27.655 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.096 -12.850 28.332 1.00 0.00 H new ATOM 0 HD21 ASN B 27 105.966 -15.791 27.487 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.112 -16.178 28.775 1.00 0.00 H new ATOM 1262 N LEU B 28 101.344 -12.947 29.743 1.00 0.00 N ATOM 1263 CA LEU B 28 100.186 -12.104 29.298 1.00 0.00 C ATOM 1264 C LEU B 28 99.911 -11.007 30.348 1.00 0.00 C ATOM 1265 O LEU B 28 99.749 -11.312 31.513 1.00 0.00 O ATOM 1266 CB LEU B 28 98.940 -12.981 29.201 1.00 0.00 C ATOM 1267 CG LEU B 28 99.077 -13.983 28.044 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.084 -15.133 28.248 1.00 0.00 C ATOM 1269 CD2 LEU B 28 98.786 -13.291 26.699 1.00 0.00 C ATOM 0 H LEU B 28 101.151 -13.554 30.540 1.00 0.00 H new ATOM 0 HA LEU B 28 100.421 -11.654 28.333 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.791 -13.517 30.138 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.060 -12.357 29.047 1.00 0.00 H new ATOM 0 HG LEU B 28 100.096 -14.370 28.030 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.179 -15.845 27.429 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.297 -15.635 29.192 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.069 -14.737 28.269 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.887 -14.013 25.889 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.771 -12.894 26.706 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.494 -12.476 26.549 1.00 0.00 H new ATOM 1281 N PRO B 29 99.837 -9.744 29.965 1.00 0.00 N ATOM 1282 CA PRO B 29 99.553 -8.647 30.938 1.00 0.00 C ATOM 1283 C PRO B 29 98.403 -9.010 31.904 1.00 0.00 C ATOM 1284 O PRO B 29 97.468 -9.687 31.522 1.00 0.00 O ATOM 1285 CB PRO B 29 99.145 -7.476 30.039 1.00 0.00 C ATOM 1286 CG PRO B 29 99.911 -7.688 28.776 1.00 0.00 C ATOM 1287 CD PRO B 29 100.020 -9.210 28.597 1.00 0.00 C ATOM 0 HA PRO B 29 100.409 -8.433 31.578 1.00 0.00 H new ATOM 0 HB2 PRO B 29 98.071 -7.473 29.855 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.393 -6.519 30.497 1.00 0.00 H new ATOM 0 HG2 PRO B 29 99.400 -7.231 27.928 1.00 0.00 H new ATOM 0 HG3 PRO B 29 100.899 -7.231 28.837 1.00 0.00 H new ATOM 0 HD2 PRO B 29 99.258 -9.588 27.916 1.00 0.00 H new ATOM 0 HD3 PRO B 29 100.987 -9.495 28.183 1.00 0.00 H new ATOM 1295 N PRO B 30 98.462 -8.568 33.141 1.00 0.00 N ATOM 1296 CA PRO B 30 97.403 -8.860 34.152 1.00 0.00 C ATOM 1297 C PRO B 30 95.974 -8.819 33.578 1.00 0.00 C ATOM 1298 O PRO B 30 95.053 -9.357 34.160 1.00 0.00 O ATOM 1299 CB PRO B 30 97.590 -7.741 35.184 1.00 0.00 C ATOM 1300 CG PRO B 30 99.050 -7.403 35.139 1.00 0.00 C ATOM 1301 CD PRO B 30 99.543 -7.744 33.722 1.00 0.00 C ATOM 0 HA PRO B 30 97.505 -9.869 34.552 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.977 -6.873 34.939 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.293 -8.070 36.180 1.00 0.00 H new ATOM 0 HG2 PRO B 30 99.209 -6.348 35.360 1.00 0.00 H new ATOM 0 HG3 PRO B 30 99.602 -7.972 35.887 1.00 0.00 H new ATOM 0 HD2 PRO B 30 99.714 -6.842 33.134 1.00 0.00 H new ATOM 0 HD3 PRO B 30 100.486 -8.290 33.751 1.00 0.00 H new ATOM 1309 N VAL B 31 95.773 -8.166 32.463 1.00 0.00 N ATOM 1310 CA VAL B 31 94.391 -8.077 31.892 1.00 0.00 C ATOM 1311 C VAL B 31 93.842 -9.473 31.589 1.00 0.00 C ATOM 1312 O VAL B 31 92.736 -9.808 31.965 1.00 0.00 O ATOM 1313 CB VAL B 31 94.435 -7.266 30.589 1.00 0.00 C ATOM 1314 CG1 VAL B 31 93.086 -7.363 29.856 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.738 -5.801 30.913 1.00 0.00 C ATOM 0 H VAL B 31 96.499 -7.693 31.925 1.00 0.00 H new ATOM 0 HA VAL B 31 93.742 -7.591 32.621 1.00 0.00 H new ATOM 0 HB VAL B 31 95.216 -7.670 29.945 1.00 0.00 H new ATOM 0 HG11 VAL B 31 93.131 -6.784 28.934 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.875 -8.406 29.620 1.00 0.00 H new ATOM 0 HG13 VAL B 31 92.296 -6.968 30.495 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.770 -5.223 29.989 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.959 -5.403 31.563 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.702 -5.732 31.418 1.00 0.00 H new ATOM 1325 N VAL B 32 94.588 -10.283 30.895 1.00 0.00 N ATOM 1326 CA VAL B 32 94.082 -11.641 30.553 1.00 0.00 C ATOM 1327 C VAL B 32 94.120 -12.548 31.781 1.00 0.00 C ATOM 1328 O VAL B 32 93.208 -13.307 32.025 1.00 0.00 O ATOM 1329 CB VAL B 32 94.950 -12.249 29.459 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.361 -13.591 29.026 1.00 0.00 C ATOM 1331 CG2 VAL B 32 95.005 -11.300 28.259 1.00 0.00 C ATOM 0 H VAL B 32 95.523 -10.066 30.550 1.00 0.00 H new ATOM 0 HA VAL B 32 93.053 -11.552 30.205 1.00 0.00 H new ATOM 0 HB VAL B 32 95.959 -12.404 29.842 1.00 0.00 H new ATOM 0 HG11 VAL B 32 94.983 -14.026 28.243 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.329 -14.267 29.881 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.351 -13.439 28.645 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.627 -11.737 27.478 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.998 -11.141 27.875 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.430 -10.345 28.569 1.00 0.00 H new ATOM 1341 N ALA B 33 95.171 -12.493 32.549 1.00 0.00 N ATOM 1342 CA ALA B 33 95.253 -13.382 33.740 1.00 0.00 C ATOM 1343 C ALA B 33 94.083 -13.086 34.676 1.00 0.00 C ATOM 1344 O ALA B 33 93.354 -13.974 35.071 1.00 0.00 O ATOM 1345 CB ALA B 33 96.583 -13.143 34.460 1.00 0.00 C ATOM 0 H ALA B 33 95.971 -11.876 32.406 1.00 0.00 H new ATOM 0 HA ALA B 33 95.201 -14.425 33.428 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.646 -13.793 35.333 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.408 -13.364 33.783 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.643 -12.102 34.777 1.00 0.00 H new ATOM 1351 N LYS B 34 93.875 -11.846 35.011 1.00 0.00 N ATOM 1352 CA LYS B 34 92.727 -11.502 35.892 1.00 0.00 C ATOM 1353 C LYS B 34 91.422 -11.924 35.217 1.00 0.00 C ATOM 1354 O LYS B 34 90.510 -12.413 35.852 1.00 0.00 O ATOM 1355 CB LYS B 34 92.703 -9.996 36.161 1.00 0.00 C ATOM 1356 CG LYS B 34 93.872 -9.616 37.072 1.00 0.00 C ATOM 1357 CD LYS B 34 93.843 -8.108 37.337 1.00 0.00 C ATOM 1358 CE LYS B 34 94.996 -7.723 38.269 1.00 0.00 C ATOM 1359 NZ LYS B 34 94.632 -8.069 39.673 1.00 0.00 N ATOM 0 H LYS B 34 94.449 -11.057 34.714 1.00 0.00 H new ATOM 0 HA LYS B 34 92.835 -12.029 36.840 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.769 -9.448 35.221 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.759 -9.715 36.628 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.807 -10.163 38.013 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.817 -9.896 36.606 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.926 -7.563 36.397 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.891 -7.827 37.786 1.00 0.00 H new ATOM 0 HE2 LYS B 34 95.905 -8.248 37.977 1.00 0.00 H new ATOM 0 HE3 LYS B 34 95.204 -6.656 38.188 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.882 -7.279 40.301 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 93.609 -8.248 39.732 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 95.151 -8.922 39.966 1.00 0.00 H new ATOM 1373 N GLU B 35 91.326 -11.722 33.934 1.00 0.00 N ATOM 1374 CA GLU B 35 90.077 -12.089 33.206 1.00 0.00 C ATOM 1375 C GLU B 35 89.802 -13.586 33.348 1.00 0.00 C ATOM 1376 O GLU B 35 88.682 -13.996 33.580 1.00 0.00 O ATOM 1377 CB GLU B 35 90.247 -11.745 31.724 1.00 0.00 C ATOM 1378 CG GLU B 35 88.926 -11.967 30.977 1.00 0.00 C ATOM 1379 CD GLU B 35 88.717 -13.459 30.694 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.676 -14.206 30.799 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.599 -13.827 30.375 1.00 0.00 O ATOM 0 H GLU B 35 92.061 -11.317 33.354 1.00 0.00 H new ATOM 0 HA GLU B 35 89.239 -11.534 33.628 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.564 -10.708 31.617 1.00 0.00 H new ATOM 0 HB3 GLU B 35 91.030 -12.364 31.286 1.00 0.00 H new ATOM 0 HG2 GLU B 35 88.096 -11.583 31.570 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.932 -11.410 30.040 1.00 0.00 H new ATOM 1388 N ILE B 36 90.803 -14.411 33.216 1.00 0.00 N ATOM 1389 CA ILE B 36 90.567 -15.873 33.353 1.00 0.00 C ATOM 1390 C ILE B 36 90.025 -16.151 34.759 1.00 0.00 C ATOM 1391 O ILE B 36 89.034 -16.833 34.928 1.00 0.00 O ATOM 1392 CB ILE B 36 91.881 -16.624 33.115 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.345 -16.376 31.675 1.00 0.00 C ATOM 1394 CG2 ILE B 36 91.666 -18.126 33.313 1.00 0.00 C ATOM 1395 CD1 ILE B 36 93.802 -16.817 31.525 1.00 0.00 C ATOM 0 H ILE B 36 91.766 -14.138 33.021 1.00 0.00 H new ATOM 0 HA ILE B 36 89.839 -16.215 32.617 1.00 0.00 H new ATOM 0 HB ILE B 36 92.631 -16.268 33.821 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.714 -16.927 30.978 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.246 -15.319 31.427 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.604 -18.654 33.142 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.324 -18.314 34.331 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.916 -18.482 32.607 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.132 -16.641 30.501 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.427 -16.246 32.211 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.886 -17.879 31.756 1.00 0.00 H new ATOM 1407 N VAL B 37 90.652 -15.604 35.768 1.00 0.00 N ATOM 1408 CA VAL B 37 90.151 -15.812 37.159 1.00 0.00 C ATOM 1409 C VAL B 37 88.811 -15.086 37.316 1.00 0.00 C ATOM 1410 O VAL B 37 87.853 -15.627 37.834 1.00 0.00 O ATOM 1411 CB VAL B 37 91.170 -15.244 38.155 1.00 0.00 C ATOM 1412 CG1 VAL B 37 90.567 -15.223 39.563 1.00 0.00 C ATOM 1413 CG2 VAL B 37 92.422 -16.125 38.154 1.00 0.00 C ATOM 0 H VAL B 37 91.487 -15.024 35.689 1.00 0.00 H new ATOM 0 HA VAL B 37 90.016 -16.876 37.354 1.00 0.00 H new ATOM 0 HB VAL B 37 91.432 -14.227 37.861 1.00 0.00 H new ATOM 0 HG11 VAL B 37 91.296 -14.819 40.265 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.674 -14.598 39.567 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.301 -16.237 39.860 1.00 0.00 H new ATOM 0 HG21 VAL B 37 93.149 -15.725 38.861 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.153 -17.140 38.446 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.857 -16.138 37.155 1.00 0.00 H new ATOM 1423 N ALA B 38 88.740 -13.863 36.865 1.00 0.00 N ATOM 1424 CA ALA B 38 87.469 -13.090 36.975 1.00 0.00 C ATOM 1425 C ALA B 38 86.371 -13.795 36.172 1.00 0.00 C ATOM 1426 O ALA B 38 85.196 -13.581 36.395 1.00 0.00 O ATOM 1427 CB ALA B 38 87.683 -11.669 36.442 1.00 0.00 C ATOM 0 H ALA B 38 89.511 -13.363 36.423 1.00 0.00 H new ATOM 0 HA ALA B 38 87.165 -13.033 38.020 1.00 0.00 H new ATOM 0 HB1 ALA B 38 86.753 -11.106 36.523 1.00 0.00 H new ATOM 0 HB2 ALA B 38 88.459 -11.174 37.026 1.00 0.00 H new ATOM 0 HB3 ALA B 38 87.989 -11.715 35.397 1.00 0.00 H new ATOM 1433 N SER B 39 86.740 -14.638 35.239 1.00 0.00 N ATOM 1434 CA SER B 39 85.707 -15.353 34.426 1.00 0.00 C ATOM 1435 C SER B 39 85.437 -16.728 35.041 1.00 0.00 C ATOM 1436 O SER B 39 84.336 -17.239 34.981 1.00 0.00 O ATOM 1437 CB SER B 39 86.222 -15.536 32.999 1.00 0.00 C ATOM 1438 OG SER B 39 86.467 -14.261 32.421 1.00 0.00 O ATOM 0 H SER B 39 87.707 -14.861 35.006 1.00 0.00 H new ATOM 0 HA SER B 39 84.787 -14.769 34.414 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.137 -16.128 33.004 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.491 -16.084 32.404 1.00 0.00 H new ATOM 0 HG SER B 39 86.559 -14.354 31.450 1.00 0.00 H new ATOM 1444 N CYS B 40 86.426 -17.325 35.647 1.00 0.00 N ATOM 1445 CA CYS B 40 86.210 -18.658 36.275 1.00 0.00 C ATOM 1446 C CYS B 40 85.104 -18.528 37.325 1.00 0.00 C ATOM 1447 O CYS B 40 85.100 -17.613 38.114 1.00 0.00 O ATOM 1448 CB CYS B 40 87.509 -19.119 36.940 1.00 0.00 C ATOM 1449 SG CYS B 40 87.435 -20.901 37.242 1.00 0.00 S ATOM 0 H CYS B 40 87.370 -16.949 35.734 1.00 0.00 H new ATOM 0 HA CYS B 40 85.918 -19.390 35.522 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.360 -18.883 36.301 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.658 -18.586 37.879 1.00 0.00 H new ATOM 1454 N ASP B 41 84.157 -19.421 37.336 1.00 0.00 N ATOM 1455 CA ASP B 41 83.055 -19.309 38.334 1.00 0.00 C ATOM 1456 C ASP B 41 83.527 -19.773 39.716 1.00 0.00 C ATOM 1457 O ASP B 41 83.034 -19.319 40.728 1.00 0.00 O ATOM 1458 CB ASP B 41 81.875 -20.172 37.880 1.00 0.00 C ATOM 1459 CG ASP B 41 81.209 -19.531 36.661 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.385 -18.338 36.472 1.00 0.00 O ATOM 1461 OD2 ASP B 41 80.535 -20.243 35.936 1.00 0.00 O ATOM 0 H ASP B 41 84.096 -20.219 36.703 1.00 0.00 H new ATOM 0 HA ASP B 41 82.749 -18.265 38.405 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.220 -21.176 37.633 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.153 -20.274 38.690 1.00 0.00 H new ATOM 1466 N LYS B 42 84.460 -20.682 39.773 1.00 0.00 N ATOM 1467 CA LYS B 42 84.932 -21.176 41.100 1.00 0.00 C ATOM 1468 C LYS B 42 85.857 -20.152 41.776 1.00 0.00 C ATOM 1469 O LYS B 42 85.726 -19.871 42.951 1.00 0.00 O ATOM 1470 CB LYS B 42 85.696 -22.487 40.903 1.00 0.00 C ATOM 1471 CG LYS B 42 84.727 -23.580 40.447 1.00 0.00 C ATOM 1472 CD LYS B 42 85.489 -24.892 40.249 1.00 0.00 C ATOM 1473 CE LYS B 42 84.520 -25.983 39.793 1.00 0.00 C ATOM 1474 NZ LYS B 42 85.291 -27.188 39.373 1.00 0.00 N ATOM 0 H LYS B 42 84.915 -21.103 38.963 1.00 0.00 H new ATOM 0 HA LYS B 42 84.063 -21.332 41.740 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.484 -22.353 40.162 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.180 -22.781 41.834 1.00 0.00 H new ATOM 0 HG2 LYS B 42 83.939 -23.714 41.188 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.242 -23.285 39.516 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.277 -24.758 39.508 1.00 0.00 H new ATOM 0 HD3 LYS B 42 85.973 -25.187 41.180 1.00 0.00 H new ATOM 0 HE2 LYS B 42 83.837 -26.239 40.603 1.00 0.00 H new ATOM 0 HE3 LYS B 42 83.911 -25.621 38.965 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 84.632 -27.931 39.063 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 85.926 -26.938 38.588 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 85.853 -27.537 40.175 1.00 0.00 H new ATOM 1488 N CYS B 43 86.808 -19.613 41.058 1.00 0.00 N ATOM 1489 CA CYS B 43 87.755 -18.636 41.679 1.00 0.00 C ATOM 1490 C CYS B 43 87.146 -17.230 41.754 1.00 0.00 C ATOM 1491 O CYS B 43 87.567 -16.413 42.548 1.00 0.00 O ATOM 1492 CB CYS B 43 89.045 -18.587 40.860 1.00 0.00 C ATOM 1493 SG CYS B 43 89.815 -20.226 40.858 1.00 0.00 S ATOM 0 H CYS B 43 86.971 -19.806 40.070 1.00 0.00 H new ATOM 0 HA CYS B 43 87.965 -18.969 42.695 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.829 -18.273 39.839 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.730 -17.851 41.282 1.00 0.00 H new ATOM 1498 N GLN B 44 86.175 -16.927 40.938 1.00 0.00 N ATOM 1499 CA GLN B 44 85.577 -15.558 40.981 1.00 0.00 C ATOM 1500 C GLN B 44 84.781 -15.374 42.273 1.00 0.00 C ATOM 1501 O GLN B 44 85.058 -14.489 43.058 1.00 0.00 O ATOM 1502 CB GLN B 44 84.660 -15.367 39.770 1.00 0.00 C ATOM 1503 CG GLN B 44 84.025 -13.977 39.798 1.00 0.00 C ATOM 1504 CD GLN B 44 83.164 -13.800 38.549 1.00 0.00 C ATOM 1505 OE1 GLN B 44 83.294 -12.720 37.833 1.00 0.00 O flip ATOM 1506 NE2 GLN B 44 82.365 -14.655 38.220 1.00 0.00 N flip ATOM 0 H GLN B 44 85.771 -17.560 40.248 1.00 0.00 H new ATOM 0 HA GLN B 44 86.374 -14.815 40.953 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.230 -15.495 38.850 1.00 0.00 H new ATOM 0 HB3 GLN B 44 83.881 -16.130 39.771 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.417 -13.859 40.695 1.00 0.00 H new ATOM 0 HG3 GLN B 44 84.799 -13.210 39.834 1.00 0.00 H new ATOM 0 HE21 GLN B 44 82.263 -15.501 38.781 1.00 0.00 H new ATOM 0 HE22 GLN B 44 81.796 -14.527 37.383 1.00 0.00 H new ATOM 1515 N LEU B 45 83.807 -16.200 42.508 1.00 0.00 N ATOM 1516 CA LEU B 45 83.009 -16.064 43.760 1.00 0.00 C ATOM 1517 C LEU B 45 83.791 -16.717 44.904 1.00 0.00 C ATOM 1518 O LEU B 45 84.598 -17.600 44.688 1.00 0.00 O ATOM 1519 CB LEU B 45 81.657 -16.762 43.585 1.00 0.00 C ATOM 1520 CG LEU B 45 80.881 -16.125 42.420 1.00 0.00 C ATOM 1521 CD1 LEU B 45 79.544 -16.856 42.241 1.00 0.00 C ATOM 1522 CD2 LEU B 45 80.620 -14.632 42.705 1.00 0.00 C ATOM 0 H LEU B 45 83.526 -16.963 41.892 1.00 0.00 H new ATOM 0 HA LEU B 45 82.833 -15.012 43.984 1.00 0.00 H new ATOM 0 HB2 LEU B 45 81.809 -17.824 43.393 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.077 -16.684 44.504 1.00 0.00 H new ATOM 0 HG LEU B 45 81.473 -16.210 41.509 1.00 0.00 H new ATOM 0 HD11 LEU B 45 78.991 -16.407 41.416 1.00 0.00 H new ATOM 0 HD12 LEU B 45 79.731 -17.908 42.023 1.00 0.00 H new ATOM 0 HD13 LEU B 45 78.959 -16.774 43.157 1.00 0.00 H new ATOM 0 HD21 LEU B 45 80.070 -14.193 41.872 1.00 0.00 H new ATOM 0 HD22 LEU B 45 80.034 -14.533 43.619 1.00 0.00 H new ATOM 0 HD23 LEU B 45 81.571 -14.113 42.825 1.00 0.00 H new ATOM 1534 N LYS B 46 83.574 -16.288 46.116 1.00 0.00 N ATOM 1535 CA LYS B 46 84.324 -16.883 47.261 1.00 0.00 C ATOM 1536 C LYS B 46 83.751 -18.261 47.602 1.00 0.00 C ATOM 1537 O LYS B 46 83.945 -18.771 48.687 1.00 0.00 O ATOM 1538 CB LYS B 46 84.213 -15.972 48.485 1.00 0.00 C ATOM 1539 CG LYS B 46 85.017 -14.692 48.245 1.00 0.00 C ATOM 1540 CD LYS B 46 84.905 -13.782 49.469 1.00 0.00 C ATOM 1541 CE LYS B 46 85.707 -12.498 49.238 1.00 0.00 C ATOM 1542 NZ LYS B 46 84.924 -11.571 48.374 1.00 0.00 N ATOM 0 H LYS B 46 82.912 -15.553 46.364 1.00 0.00 H new ATOM 0 HA LYS B 46 85.372 -16.987 46.979 1.00 0.00 H new ATOM 0 HB2 LYS B 46 83.168 -15.727 48.675 1.00 0.00 H new ATOM 0 HB3 LYS B 46 84.586 -16.488 49.370 1.00 0.00 H new ATOM 0 HG2 LYS B 46 86.062 -14.937 48.055 1.00 0.00 H new ATOM 0 HG3 LYS B 46 84.644 -14.176 47.360 1.00 0.00 H new ATOM 0 HD2 LYS B 46 83.859 -13.539 49.658 1.00 0.00 H new ATOM 0 HD3 LYS B 46 85.277 -14.300 50.353 1.00 0.00 H new ATOM 0 HE2 LYS B 46 85.932 -12.021 50.192 1.00 0.00 H new ATOM 0 HE3 LYS B 46 86.661 -12.733 48.766 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 85.564 -11.096 47.705 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 84.209 -12.110 47.845 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 84.452 -10.859 48.967 1.00 0.00 H new ATOM 1556 N GLY B 47 83.046 -18.869 46.686 1.00 0.00 N ATOM 1557 CA GLY B 47 82.461 -20.217 46.959 1.00 0.00 C ATOM 1558 C GLY B 47 81.023 -20.057 47.445 1.00 0.00 C ATOM 1559 O GLY B 47 80.097 -19.991 46.662 1.00 0.00 O ATOM 0 H GLY B 47 82.849 -18.491 45.759 1.00 0.00 H new ATOM 0 HA2 GLY B 47 82.485 -20.826 46.055 1.00 0.00 H new ATOM 0 HA3 GLY B 47 83.055 -20.738 47.710 1.00 0.00 H new ATOM 1563 N GLU B 48 80.821 -19.993 48.735 1.00 0.00 N ATOM 1564 CA GLU B 48 79.436 -19.837 49.260 1.00 0.00 C ATOM 1565 C GLU B 48 79.040 -18.359 49.220 1.00 0.00 C ATOM 1566 O GLU B 48 79.760 -17.494 49.678 1.00 0.00 O ATOM 1567 CB GLU B 48 79.372 -20.362 50.702 1.00 0.00 C ATOM 1568 CG GLU B 48 80.244 -19.499 51.619 1.00 0.00 C ATOM 1569 CD GLU B 48 80.365 -20.174 52.988 1.00 0.00 C ATOM 1570 OE1 GLU B 48 79.566 -21.052 53.267 1.00 0.00 O ATOM 1571 OE2 GLU B 48 81.254 -19.800 53.734 1.00 0.00 O ATOM 0 H GLU B 48 81.553 -20.042 49.444 1.00 0.00 H new ATOM 0 HA GLU B 48 78.743 -20.409 48.643 1.00 0.00 H new ATOM 0 HB2 GLU B 48 78.341 -20.353 51.055 1.00 0.00 H new ATOM 0 HB3 GLU B 48 79.711 -21.397 50.735 1.00 0.00 H new ATOM 0 HG2 GLU B 48 81.232 -19.365 51.179 1.00 0.00 H new ATOM 0 HG3 GLU B 48 79.806 -18.507 51.728 1.00 0.00 H new ATOM 1578 N ALA B 49 77.897 -18.066 48.667 1.00 0.00 N ATOM 1579 CA ALA B 49 77.444 -16.649 48.592 1.00 0.00 C ATOM 1580 C ALA B 49 76.879 -16.231 49.949 1.00 0.00 C ATOM 1581 O ALA B 49 76.490 -15.101 50.149 1.00 0.00 O ATOM 1582 CB ALA B 49 76.352 -16.521 47.528 1.00 0.00 C ATOM 0 H ALA B 49 77.255 -18.748 48.263 1.00 0.00 H new ATOM 0 HA ALA B 49 78.285 -16.008 48.330 1.00 0.00 H new ATOM 0 HB1 ALA B 49 76.019 -15.485 47.471 1.00 0.00 H new ATOM 0 HB2 ALA B 49 76.749 -16.828 46.560 1.00 0.00 H new ATOM 0 HB3 ALA B 49 75.509 -17.159 47.793 1.00 0.00 H new ATOM 1588 N MET B 50 76.815 -17.139 50.879 1.00 0.00 N ATOM 1589 CA MET B 50 76.245 -16.798 52.211 1.00 0.00 C ATOM 1590 C MET B 50 77.183 -15.856 52.968 1.00 0.00 C ATOM 1591 O MET B 50 78.392 -15.937 52.864 1.00 0.00 O ATOM 1592 CB MET B 50 76.050 -18.084 53.014 1.00 0.00 C ATOM 1593 CG MET B 50 74.911 -18.896 52.391 1.00 0.00 C ATOM 1594 SD MET B 50 74.572 -20.362 53.403 1.00 0.00 S ATOM 1595 CE MET B 50 76.009 -21.348 52.907 1.00 0.00 C ATOM 0 H MET B 50 77.132 -18.103 50.775 1.00 0.00 H new ATOM 0 HA MET B 50 75.287 -16.297 52.073 1.00 0.00 H new ATOM 0 HB2 MET B 50 76.970 -18.668 53.017 1.00 0.00 H new ATOM 0 HB3 MET B 50 75.819 -17.847 54.053 1.00 0.00 H new ATOM 0 HG2 MET B 50 74.014 -18.281 52.314 1.00 0.00 H new ATOM 0 HG3 MET B 50 75.179 -19.197 51.378 1.00 0.00 H new ATOM 0 HE1 MET B 50 75.829 -22.397 53.141 1.00 0.00 H new ATOM 0 HE2 MET B 50 76.173 -21.238 51.835 1.00 0.00 H new ATOM 0 HE3 MET B 50 76.891 -21.002 53.446 1.00 0.00 H new ATOM 1605 N HIS B 51 76.619 -14.953 53.729 1.00 0.00 N ATOM 1606 CA HIS B 51 77.443 -13.982 54.503 1.00 0.00 C ATOM 1607 C HIS B 51 77.773 -14.571 55.875 1.00 0.00 C ATOM 1608 O HIS B 51 78.260 -13.889 56.754 1.00 0.00 O ATOM 1609 CB HIS B 51 76.670 -12.668 54.673 1.00 0.00 C ATOM 1610 CG HIS B 51 75.340 -12.929 55.328 1.00 0.00 C ATOM 1611 ND1 HIS B 51 74.205 -13.565 54.886 1.00 0.00 N flip ATOM 1612 CD2 HIS B 51 75.052 -12.489 56.613 1.00 0.00 C flip ATOM 1613 CE1 HIS B 51 73.231 -13.518 55.877 1.00 0.00 C flip ATOM 1614 NE2 HIS B 51 73.789 -12.860 56.896 1.00 0.00 N flip ATOM 0 H HIS B 51 75.611 -14.848 53.847 1.00 0.00 H new ATOM 0 HA HIS B 51 78.370 -13.784 53.965 1.00 0.00 H new ATOM 0 HB2 HIS B 51 77.251 -11.971 55.277 1.00 0.00 H new ATOM 0 HB3 HIS B 51 76.519 -12.198 53.701 1.00 0.00 H new ATOM 0 HD2 HIS B 51 75.720 -11.948 57.267 1.00 0.00 H new ATOM 0 HE1 HIS B 51 72.233 -13.928 55.832 1.00 0.00 H new ATOM 0 HE2 HIS B 51 73.317 -12.663 57.779 1.00 0.00 H new ATOM 1623 N GLY B 52 77.508 -15.832 56.068 1.00 0.00 N ATOM 1624 CA GLY B 52 77.814 -16.459 57.384 1.00 0.00 C ATOM 1625 C GLY B 52 79.330 -16.621 57.525 1.00 0.00 C ATOM 1626 O GLY B 52 79.910 -17.567 57.030 1.00 0.00 O ATOM 0 H GLY B 52 77.094 -16.455 55.374 1.00 0.00 H new ATOM 0 HA2 GLY B 52 77.426 -15.841 58.194 1.00 0.00 H new ATOM 0 HA3 GLY B 52 77.324 -17.430 57.460 1.00 0.00 H new ATOM 1630 N GLN B 53 79.976 -15.708 58.198 1.00 0.00 N ATOM 1631 CA GLN B 53 81.452 -15.814 58.372 1.00 0.00 C ATOM 1632 C GLN B 53 81.751 -16.823 59.487 1.00 0.00 C ATOM 1633 O GLN B 53 80.979 -16.984 60.411 1.00 0.00 O ATOM 1634 CB GLN B 53 82.021 -14.438 58.748 1.00 0.00 C ATOM 1635 CG GLN B 53 82.161 -13.562 57.497 1.00 0.00 C ATOM 1636 CD GLN B 53 80.776 -13.183 56.967 1.00 0.00 C ATOM 1637 OE1 GLN B 53 80.415 -13.587 55.780 1.00 0.00 O flip ATOM 1638 NE2 GLN B 53 80.020 -12.507 57.636 1.00 0.00 N flip ATOM 0 H GLN B 53 79.545 -14.893 58.635 1.00 0.00 H new ATOM 0 HA GLN B 53 81.914 -16.150 57.443 1.00 0.00 H new ATOM 0 HB2 GLN B 53 81.366 -13.951 59.470 1.00 0.00 H new ATOM 0 HB3 GLN B 53 82.992 -14.557 59.228 1.00 0.00 H new ATOM 0 HG2 GLN B 53 82.728 -12.662 57.735 1.00 0.00 H new ATOM 0 HG3 GLN B 53 82.720 -14.097 56.729 1.00 0.00 H new ATOM 0 HE21 GLN B 53 80.303 -12.192 58.564 1.00 0.00 H new ATOM 0 HE22 GLN B 53 79.102 -12.255 57.270 1.00 0.00 H new ATOM 1647 N VAL B 54 82.863 -17.509 59.409 1.00 0.00 N ATOM 1648 CA VAL B 54 83.201 -18.513 60.464 1.00 0.00 C ATOM 1649 C VAL B 54 84.052 -17.852 61.549 1.00 0.00 C ATOM 1650 O VAL B 54 84.156 -18.345 62.655 1.00 0.00 O ATOM 1651 CB VAL B 54 83.994 -19.663 59.838 1.00 0.00 C ATOM 1652 CG1 VAL B 54 85.325 -19.135 59.301 1.00 0.00 C ATOM 1653 CG2 VAL B 54 84.264 -20.731 60.902 1.00 0.00 C ATOM 0 H VAL B 54 83.551 -17.418 58.661 1.00 0.00 H new ATOM 0 HA VAL B 54 82.280 -18.896 60.904 1.00 0.00 H new ATOM 0 HB VAL B 54 83.419 -20.097 59.020 1.00 0.00 H new ATOM 0 HG11 VAL B 54 85.889 -19.955 58.856 1.00 0.00 H new ATOM 0 HG12 VAL B 54 85.136 -18.372 58.546 1.00 0.00 H new ATOM 0 HG13 VAL B 54 85.901 -18.701 60.119 1.00 0.00 H new ATOM 0 HG21 VAL B 54 84.829 -21.551 60.459 1.00 0.00 H new ATOM 0 HG22 VAL B 54 84.839 -20.294 61.718 1.00 0.00 H new ATOM 0 HG23 VAL B 54 83.317 -21.109 61.287 1.00 0.00 H new ATOM 1663 N ASP B 55 84.661 -16.736 61.248 1.00 0.00 N ATOM 1664 CA ASP B 55 85.503 -16.041 62.268 1.00 0.00 C ATOM 1665 C ASP B 55 84.650 -15.016 63.016 1.00 0.00 C ATOM 1666 O ASP B 55 85.209 -14.038 63.483 1.00 0.00 O ATOM 1667 CB ASP B 55 86.663 -15.330 61.569 1.00 0.00 C ATOM 1668 CG ASP B 55 86.111 -14.264 60.621 1.00 0.00 C ATOM 1669 OD1 ASP B 55 85.351 -14.623 59.737 1.00 0.00 O ATOM 1670 OD2 ASP B 55 86.456 -13.107 60.796 1.00 0.00 O ATOM 1671 OXT ASP B 55 83.452 -15.228 63.110 1.00 0.00 O ATOM 0 H ASP B 55 84.612 -16.275 60.340 1.00 0.00 H new ATOM 0 HA ASP B 55 85.898 -16.770 62.976 1.00 0.00 H new ATOM 0 HB2 ASP B 55 87.320 -14.870 62.308 1.00 0.00 H new ATOM 0 HB3 ASP B 55 87.263 -16.050 61.013 1.00 0.00 H new TER 1676 ASP B 55 HETATM 1677 CD CD A 56 79.821 -1.842 35.943 1.00 0.00 CD HETATM 1678 CD CD B 56 89.629 -21.411 38.551 1.00 0.00 CD