USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 937 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 ASN :FLIP amide:sc= -0.609 F(o=-3.3,f=0.23) USER MOD Set 1.2: A 95 ASN : amide:sc= 0.835 K(o=0.23,f=-4.8!) USER MOD Set 2.1: A 22 SER OG : rot 180:sc= 0.783 USER MOD Set 2.2: A 47 LYS NZ :NH3+ 173:sc= 0.863 (180deg=-0.011) USER MOD Set 3.1: A 33 HIS : no HE2:sc= -4.37! C(o=-14!,f=-17!) USER MOD Set 3.2: A 37 TYR OH : rot -175:sc= -1.07 USER MOD Set 3.3: A 45 SER OG : rot -94:sc= 0.182 USER MOD Set 3.4: A 49 ASN : amide:sc= -8.24! C(o=-14!,f=-16!) USER MOD Set 4.1: A 12 CYS SG : rot 180:sc= 0 USER MOD Set 4.2: A 18 HIS :FLIP no HD1:sc= -0.795 F(o=-1.8,f=-0.8) USER MOD Single : A 5 GLN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -118:sc= -0.351 (180deg=-2.98!) USER MOD Single : A 9 GLN : amide:sc= -5.9! C(o=-5.9!,f=-6.9!) USER MOD Single : A 10 LYS NZ :NH3+ -160:sc= 1.24 (180deg=1.15) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -169:sc= -0.24 (180deg=-0.337) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 1.01 (180deg=1.01) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 31 ASN :FLIP amide:sc= -4.84 F(o=-6.6!,f=-4.8) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.168 F(o=-1.9,f=-0.17) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.035 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -8.04! C(o=-8!,f=-7.8!) USER MOD Single : A 54 SER OG : rot -57:sc= 1.05 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 51:sc= 0.199 USER MOD Single : A 64 GLN :FLIP amide:sc= 0.85 F(o=0,f=0.85) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.00953) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 144:sc= -0.964 (180deg=-3.41!) USER MOD Single : A 81 LYS NZ :NH3+ 129:sc= 0.452 (180deg=-0.119) USER MOD Single : A 82 SER OG : rot 180:sc= -0.0636 USER MOD Single : A 84 CYS SG : rot -160:sc= -5.83! USER MOD Single : A 92 SER OG : rot 150:sc= -1.65! USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.412 X(o=-0.41,f=-0.13) USER MOD Single : A 107 MET CE :methyl -114:sc= -7.69! (180deg=-15!) USER MOD Single : A 108 HIS : no HE2:sc= -8.26! C(o=-8.3!,f=-10!) USER MOD Single : A 110 LYS NZ :NH3+ 159:sc= -0.222 (180deg=-0.667) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 9.571 -8.618 -0.243 1.00 0.00 N ATOM 38 CA ILE A 3 8.561 -7.540 -0.441 1.00 0.00 C ATOM 39 C ILE A 3 8.952 -6.294 0.361 1.00 0.00 C ATOM 40 O ILE A 3 8.996 -5.198 -0.160 1.00 0.00 O ATOM 41 CB ILE A 3 7.249 -8.135 0.077 1.00 0.00 C ATOM 42 CG1 ILE A 3 6.656 -9.060 -0.989 1.00 0.00 C ATOM 43 CG2 ILE A 3 6.255 -7.012 0.380 1.00 0.00 C ATOM 44 CD1 ILE A 3 5.325 -9.629 -0.491 1.00 0.00 C ATOM 0 HA ILE A 3 8.482 -7.227 -1.482 1.00 0.00 H new ATOM 0 HB ILE A 3 7.445 -8.700 0.988 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.504 -8.510 -1.918 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.350 -9.871 -1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 3 5.323 -7.441 0.748 1.00 0.00 H new ATOM 0 HG22 ILE A 3 6.674 -6.350 1.137 1.00 0.00 H new ATOM 0 HG23 ILE A 3 6.059 -6.444 -0.530 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.904 -10.287 -1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.491 -10.193 0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.631 -8.812 -0.294 1.00 0.00 H new ATOM 56 N ALA A 4 9.238 -6.454 1.625 1.00 0.00 N ATOM 57 CA ALA A 4 9.627 -5.275 2.454 1.00 0.00 C ATOM 58 C ALA A 4 10.408 -5.727 3.690 1.00 0.00 C ATOM 59 O ALA A 4 9.978 -6.593 4.426 1.00 0.00 O ATOM 60 CB ALA A 4 8.304 -4.624 2.864 1.00 0.00 C ATOM 0 H ALA A 4 9.220 -7.346 2.119 1.00 0.00 H new ATOM 0 HA ALA A 4 10.271 -4.584 1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.505 -3.746 3.478 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.754 -4.324 1.972 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.709 -5.337 3.434 1.00 0.00 H new ATOM 66 N GLN A 5 11.553 -5.145 3.926 1.00 0.00 N ATOM 67 CA GLN A 5 12.359 -5.541 5.115 1.00 0.00 C ATOM 68 C GLN A 5 12.984 -4.304 5.763 1.00 0.00 C ATOM 69 O GLN A 5 13.982 -4.385 6.451 1.00 0.00 O ATOM 70 CB GLN A 5 13.444 -6.469 4.570 1.00 0.00 C ATOM 71 CG GLN A 5 12.869 -7.878 4.414 1.00 0.00 C ATOM 72 CD GLN A 5 13.166 -8.398 3.008 1.00 0.00 C ATOM 73 OE1 GLN A 5 13.803 -9.421 2.848 1.00 0.00 O ATOM 74 NE2 GLN A 5 12.729 -7.733 1.974 1.00 0.00 N ATOM 0 H GLN A 5 11.964 -4.413 3.347 1.00 0.00 H new ATOM 0 HA GLN A 5 11.755 -6.029 5.880 1.00 0.00 H new ATOM 0 HB2 GLN A 5 13.804 -6.102 3.609 1.00 0.00 H new ATOM 0 HB3 GLN A 5 14.299 -6.485 5.246 1.00 0.00 H new ATOM 0 HG2 GLN A 5 13.304 -8.544 5.159 1.00 0.00 H new ATOM 0 HG3 GLN A 5 11.793 -7.864 4.588 1.00 0.00 H new ATOM 0 HE21 GLN A 5 12.195 -6.875 2.108 1.00 0.00 H new ATOM 0 HE22 GLN A 5 12.922 -8.071 1.031 1.00 0.00 H new ATOM 83 N GLY A 6 12.399 -3.160 5.547 1.00 0.00 N ATOM 84 CA GLY A 6 12.952 -1.915 6.150 1.00 0.00 C ATOM 85 C GLY A 6 11.802 -1.001 6.576 1.00 0.00 C ATOM 86 O GLY A 6 12.000 0.152 6.906 1.00 0.00 O ATOM 0 H GLY A 6 11.562 -3.032 4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 6 13.574 -2.160 7.011 1.00 0.00 H new ATOM 0 HA3 GLY A 6 13.591 -1.402 5.431 1.00 0.00 H new ATOM 90 N LYS A 7 10.598 -1.508 6.571 1.00 0.00 N ATOM 91 CA LYS A 7 9.434 -0.671 6.977 1.00 0.00 C ATOM 92 C LYS A 7 9.016 -1.003 8.409 1.00 0.00 C ATOM 93 O LYS A 7 8.961 -2.151 8.803 1.00 0.00 O ATOM 94 CB LYS A 7 8.320 -1.039 5.997 1.00 0.00 C ATOM 95 CG LYS A 7 8.689 -0.543 4.599 1.00 0.00 C ATOM 96 CD LYS A 7 8.591 0.983 4.555 1.00 0.00 C ATOM 97 CE LYS A 7 9.985 1.589 4.732 1.00 0.00 C ATOM 98 NZ LYS A 7 10.033 2.729 3.775 1.00 0.00 N ATOM 0 H LYS A 7 10.371 -2.466 6.303 1.00 0.00 H new ATOM 0 HA LYS A 7 9.665 0.394 6.952 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.174 -2.119 5.985 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.378 -0.593 6.316 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.700 -0.860 4.344 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.021 -0.982 3.858 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.161 1.303 3.606 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.926 1.338 5.342 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.142 1.927 5.756 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.764 0.858 4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 10.781 2.561 3.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.117 2.815 3.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.234 3.608 4.292 1.00 0.00 H new ATOM 112 N GLY A 8 8.722 -0.004 9.190 1.00 0.00 N ATOM 113 CA GLY A 8 8.306 -0.256 10.598 1.00 0.00 C ATOM 114 C GLY A 8 7.267 -1.377 10.633 1.00 0.00 C ATOM 115 O GLY A 8 7.347 -2.287 11.433 1.00 0.00 O ATOM 0 H GLY A 8 8.751 0.978 8.915 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.172 -0.530 11.200 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.890 0.653 11.033 1.00 0.00 H new ATOM 119 N GLN A 9 6.288 -1.321 9.770 1.00 0.00 N ATOM 120 CA GLN A 9 5.245 -2.387 9.758 1.00 0.00 C ATOM 121 C GLN A 9 4.654 -2.541 8.354 1.00 0.00 C ATOM 122 O GLN A 9 3.598 -3.113 8.183 1.00 0.00 O ATOM 123 CB GLN A 9 4.175 -1.913 10.744 1.00 0.00 C ATOM 124 CG GLN A 9 3.907 -0.422 10.537 1.00 0.00 C ATOM 125 CD GLN A 9 4.326 0.349 11.790 1.00 0.00 C ATOM 126 OE1 GLN A 9 5.174 1.216 11.728 1.00 0.00 O ATOM 127 NE2 GLN A 9 3.761 0.068 12.932 1.00 0.00 N ATOM 0 H GLN A 9 6.166 -0.585 9.074 1.00 0.00 H new ATOM 0 HA GLN A 9 5.651 -3.359 10.037 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.256 -2.481 10.599 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.504 -2.095 11.767 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.461 -0.059 9.671 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.849 -0.257 10.332 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.049 -0.660 12.983 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.031 0.577 13.774 1.00 0.00 H new ATOM 136 N LYS A 10 5.340 -2.037 7.356 1.00 0.00 N ATOM 137 CA LYS A 10 4.849 -2.144 5.943 1.00 0.00 C ATOM 138 C LYS A 10 3.314 -2.194 5.884 1.00 0.00 C ATOM 139 O LYS A 10 2.636 -1.391 6.494 1.00 0.00 O ATOM 140 CB LYS A 10 5.462 -3.443 5.414 1.00 0.00 C ATOM 141 CG LYS A 10 4.912 -4.633 6.204 1.00 0.00 C ATOM 142 CD LYS A 10 5.846 -4.947 7.376 1.00 0.00 C ATOM 143 CE LYS A 10 6.843 -6.032 6.961 1.00 0.00 C ATOM 144 NZ LYS A 10 7.947 -5.941 7.957 1.00 0.00 N ATOM 0 H LYS A 10 6.230 -1.550 7.461 1.00 0.00 H new ATOM 0 HA LYS A 10 5.138 -1.279 5.347 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.232 -3.560 4.355 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.548 -3.406 5.502 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.912 -4.406 6.573 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.822 -5.504 5.554 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.379 -4.046 7.681 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.267 -5.281 8.237 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.380 -7.019 6.973 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.210 -5.865 5.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.802 -6.390 7.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.145 -4.942 8.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.666 -6.428 8.832 1.00 0.00 H new ATOM 158 N LEU A 11 2.758 -3.126 5.154 1.00 0.00 N ATOM 159 CA LEU A 11 1.272 -3.210 5.062 1.00 0.00 C ATOM 160 C LEU A 11 0.762 -4.488 5.739 1.00 0.00 C ATOM 161 O LEU A 11 -0.411 -4.621 6.028 1.00 0.00 O ATOM 162 CB LEU A 11 0.973 -3.243 3.563 1.00 0.00 C ATOM 163 CG LEU A 11 0.611 -1.838 3.079 1.00 0.00 C ATOM 164 CD1 LEU A 11 0.170 -1.902 1.615 1.00 0.00 C ATOM 165 CD2 LEU A 11 -0.533 -1.283 3.930 1.00 0.00 C ATOM 0 H LEU A 11 3.268 -3.830 4.620 1.00 0.00 H new ATOM 0 HA LEU A 11 0.782 -2.374 5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.841 -3.614 3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.152 -3.931 3.361 1.00 0.00 H new ATOM 0 HG LEU A 11 1.481 -1.187 3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.088 -0.901 1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.984 -2.298 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.700 -2.553 1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.791 -0.282 3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.403 -1.933 3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.221 -1.238 4.974 1.00 0.00 H new ATOM 177 N CYS A 12 1.629 -5.431 5.988 1.00 0.00 N ATOM 178 CA CYS A 12 1.184 -6.698 6.639 1.00 0.00 C ATOM 179 C CYS A 12 1.240 -6.563 8.164 1.00 0.00 C ATOM 180 O CYS A 12 0.278 -6.837 8.855 1.00 0.00 O ATOM 181 CB CYS A 12 2.172 -7.763 6.157 1.00 0.00 C ATOM 182 SG CYS A 12 1.974 -9.264 7.147 1.00 0.00 S ATOM 0 H CYS A 12 2.624 -5.380 5.770 1.00 0.00 H new ATOM 0 HA CYS A 12 0.155 -6.951 6.383 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.999 -7.984 5.104 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.193 -7.391 6.241 1.00 0.00 H new ATOM 0 HG CYS A 12 2.812 -10.169 6.736 1.00 0.00 H new ATOM 188 N GLU A 13 2.357 -6.145 8.697 1.00 0.00 N ATOM 189 CA GLU A 13 2.465 -5.996 10.178 1.00 0.00 C ATOM 190 C GLU A 13 1.197 -5.345 10.735 1.00 0.00 C ATOM 191 O GLU A 13 0.467 -5.942 11.502 1.00 0.00 O ATOM 192 CB GLU A 13 3.678 -5.092 10.401 1.00 0.00 C ATOM 193 CG GLU A 13 4.803 -5.899 11.050 1.00 0.00 C ATOM 194 CD GLU A 13 5.341 -6.920 10.046 1.00 0.00 C ATOM 195 OE1 GLU A 13 4.533 -7.553 9.387 1.00 0.00 O ATOM 196 OE2 GLU A 13 6.551 -7.048 9.950 1.00 0.00 O ATOM 0 H GLU A 13 3.197 -5.901 8.173 1.00 0.00 H new ATOM 0 HA GLU A 13 2.578 -6.955 10.683 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.015 -4.677 9.451 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.406 -4.250 11.038 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.604 -5.233 11.373 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.433 -6.408 11.940 1.00 0.00 H new ATOM 203 N ILE A 14 0.926 -4.124 10.354 1.00 0.00 N ATOM 204 CA ILE A 14 -0.299 -3.441 10.860 1.00 0.00 C ATOM 205 C ILE A 14 -1.484 -4.411 10.833 1.00 0.00 C ATOM 206 O ILE A 14 -2.079 -4.653 9.802 1.00 0.00 O ATOM 207 CB ILE A 14 -0.531 -2.272 9.900 1.00 0.00 C ATOM 208 CG1 ILE A 14 -0.501 -2.777 8.455 1.00 0.00 C ATOM 209 CG2 ILE A 14 0.571 -1.227 10.093 1.00 0.00 C ATOM 210 CD1 ILE A 14 -0.563 -1.585 7.498 1.00 0.00 C ATOM 0 H ILE A 14 1.499 -3.572 9.716 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.191 -3.099 11.889 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.503 -1.824 10.108 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.408 -3.352 8.278 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.342 -3.446 8.275 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.406 -0.394 9.409 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.551 -0.863 11.120 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.541 -1.679 9.887 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.542 -1.943 6.469 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.484 -1.028 7.669 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.293 -0.933 7.673 1.00 0.00 H new ATOM 222 N GLU A 15 -1.821 -4.978 11.959 1.00 0.00 N ATOM 223 CA GLU A 15 -2.958 -5.943 12.002 1.00 0.00 C ATOM 224 C GLU A 15 -4.272 -5.254 11.625 1.00 0.00 C ATOM 225 O GLU A 15 -5.092 -5.808 10.918 1.00 0.00 O ATOM 226 CB GLU A 15 -3.006 -6.427 13.451 1.00 0.00 C ATOM 227 CG GLU A 15 -2.374 -7.818 13.545 1.00 0.00 C ATOM 228 CD GLU A 15 -3.433 -8.831 13.983 1.00 0.00 C ATOM 229 OE1 GLU A 15 -4.088 -8.579 14.980 1.00 0.00 O ATOM 230 OE2 GLU A 15 -3.572 -9.840 13.311 1.00 0.00 O ATOM 0 H GLU A 15 -1.358 -4.815 12.853 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.824 -6.762 11.296 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.473 -5.729 14.097 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.038 -6.460 13.801 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.957 -8.106 12.580 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.549 -7.807 14.258 1.00 0.00 H new ATOM 237 N ARG A 16 -4.484 -4.055 12.091 1.00 0.00 N ATOM 238 CA ARG A 16 -5.751 -3.341 11.759 1.00 0.00 C ATOM 239 C ARG A 16 -5.837 -3.087 10.252 1.00 0.00 C ATOM 240 O ARG A 16 -6.769 -3.506 9.592 1.00 0.00 O ATOM 241 CB ARG A 16 -5.671 -2.018 12.522 1.00 0.00 C ATOM 242 CG ARG A 16 -6.977 -1.790 13.284 1.00 0.00 C ATOM 243 CD ARG A 16 -7.404 -0.328 13.142 1.00 0.00 C ATOM 244 NE ARG A 16 -6.741 0.376 14.274 1.00 0.00 N ATOM 245 CZ ARG A 16 -6.963 1.646 14.472 1.00 0.00 C ATOM 246 NH1 ARG A 16 -8.116 2.166 14.148 1.00 0.00 N ATOM 247 NH2 ARG A 16 -6.034 2.397 14.995 1.00 0.00 N ATOM 0 H ARG A 16 -3.837 -3.538 12.686 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.634 -3.918 12.034 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.831 -2.036 13.216 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.494 -1.196 11.829 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -7.756 -2.446 12.896 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.844 -2.040 14.337 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.091 0.084 12.183 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.488 -0.226 13.194 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.113 -0.135 14.895 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.844 1.579 13.740 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.289 3.159 14.303 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.133 1.991 15.249 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.208 3.390 15.150 1.00 0.00 H new ATOM 261 N ILE A 17 -4.871 -2.405 9.706 1.00 0.00 N ATOM 262 CA ILE A 17 -4.888 -2.119 8.244 1.00 0.00 C ATOM 263 C ILE A 17 -4.849 -3.427 7.447 1.00 0.00 C ATOM 264 O ILE A 17 -5.718 -3.703 6.640 1.00 0.00 O ATOM 265 CB ILE A 17 -3.624 -1.292 8.000 1.00 0.00 C ATOM 266 CG1 ILE A 17 -3.774 0.068 8.683 1.00 0.00 C ATOM 267 CG2 ILE A 17 -3.420 -1.086 6.498 1.00 0.00 C ATOM 268 CD1 ILE A 17 -2.760 0.185 9.824 1.00 0.00 C ATOM 0 H ILE A 17 -4.067 -2.032 10.210 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.789 -1.592 7.929 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.762 -1.819 8.410 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.617 0.868 7.960 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.787 0.182 9.070 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.519 -0.497 6.331 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.316 -2.054 6.009 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.280 -0.560 6.083 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.869 1.155 10.309 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.938 -0.607 10.552 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.750 0.090 9.425 1.00 0.00 H new ATOM 280 N HIS A 18 -3.851 -4.235 7.671 1.00 0.00 N ATOM 281 CA HIS A 18 -3.755 -5.527 6.930 1.00 0.00 C ATOM 282 C HIS A 18 -5.037 -6.344 7.117 1.00 0.00 C ATOM 283 O HIS A 18 -5.473 -7.042 6.225 1.00 0.00 O ATOM 284 CB HIS A 18 -2.565 -6.254 7.558 1.00 0.00 C ATOM 285 CG HIS A 18 -2.360 -7.572 6.863 1.00 0.00 C ATOM 286 ND1 HIS A 18 -2.537 -7.957 5.557 1.00 0.00 N flip ATOM 287 CD2 HIS A 18 -1.915 -8.700 7.533 1.00 0.00 C flip ATOM 288 CE1 HIS A 18 -2.207 -9.302 5.417 1.00 0.00 C flip ATOM 289 NE2 HIS A 18 -1.839 -9.701 6.637 1.00 0.00 N flip ATOM 0 H HIS A 18 -3.097 -4.058 8.335 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.627 -5.378 5.858 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -1.666 -5.643 7.474 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -2.743 -6.415 8.621 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -1.673 -8.764 8.584 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.241 -9.895 4.515 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -1.537 -10.649 6.862 1.00 0.00 H new ATOM 297 N PHE A 19 -5.643 -6.262 8.271 1.00 0.00 N ATOM 298 CA PHE A 19 -6.892 -7.035 8.513 1.00 0.00 C ATOM 299 C PHE A 19 -7.958 -6.655 7.478 1.00 0.00 C ATOM 300 O PHE A 19 -8.247 -7.404 6.568 1.00 0.00 O ATOM 301 CB PHE A 19 -7.330 -6.636 9.926 1.00 0.00 C ATOM 302 CG PHE A 19 -8.819 -6.835 10.073 1.00 0.00 C ATOM 303 CD1 PHE A 19 -9.410 -8.022 9.630 1.00 0.00 C ATOM 304 CD2 PHE A 19 -9.608 -5.826 10.636 1.00 0.00 C ATOM 305 CE1 PHE A 19 -10.791 -8.204 9.752 1.00 0.00 C ATOM 306 CE2 PHE A 19 -10.989 -6.006 10.758 1.00 0.00 C ATOM 307 CZ PHE A 19 -11.582 -7.195 10.317 1.00 0.00 C ATOM 0 H PHE A 19 -5.326 -5.693 9.056 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.743 -8.111 8.424 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.799 -7.236 10.665 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.072 -5.594 10.116 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.800 -8.799 9.193 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.150 -4.909 10.976 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.247 -9.121 9.411 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.599 -5.228 11.193 1.00 0.00 H new ATOM 0 HZ PHE A 19 -12.649 -7.334 10.412 1.00 0.00 H new ATOM 317 N PHE A 20 -8.549 -5.497 7.623 1.00 0.00 N ATOM 318 CA PHE A 20 -9.604 -5.065 6.657 1.00 0.00 C ATOM 319 C PHE A 20 -9.211 -5.450 5.228 1.00 0.00 C ATOM 320 O PHE A 20 -10.053 -5.648 4.376 1.00 0.00 O ATOM 321 CB PHE A 20 -9.673 -3.544 6.802 1.00 0.00 C ATOM 322 CG PHE A 20 -11.076 -3.137 7.190 1.00 0.00 C ATOM 323 CD1 PHE A 20 -12.097 -3.142 6.231 1.00 0.00 C ATOM 324 CD2 PHE A 20 -11.357 -2.754 8.507 1.00 0.00 C ATOM 325 CE1 PHE A 20 -13.397 -2.765 6.589 1.00 0.00 C ATOM 326 CE2 PHE A 20 -12.656 -2.376 8.866 1.00 0.00 C ATOM 327 CZ PHE A 20 -13.677 -2.381 7.907 1.00 0.00 C ATOM 0 H PHE A 20 -8.347 -4.831 8.369 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.564 -5.540 6.858 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.963 -3.208 7.558 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.390 -3.066 5.864 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -11.881 -3.437 5.215 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -10.570 -2.750 9.247 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -14.184 -2.770 5.849 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -12.871 -2.081 9.882 1.00 0.00 H new ATOM 0 HZ PHE A 20 -14.679 -2.089 8.183 1.00 0.00 H new ATOM 337 N LEU A 21 -7.938 -5.556 4.957 1.00 0.00 N ATOM 338 CA LEU A 21 -7.501 -5.926 3.579 1.00 0.00 C ATOM 339 C LEU A 21 -7.613 -7.439 3.366 1.00 0.00 C ATOM 340 O LEU A 21 -7.820 -7.906 2.264 1.00 0.00 O ATOM 341 CB LEU A 21 -6.041 -5.479 3.493 1.00 0.00 C ATOM 342 CG LEU A 21 -5.969 -4.071 2.901 1.00 0.00 C ATOM 343 CD1 LEU A 21 -6.715 -4.035 1.566 1.00 0.00 C ATOM 344 CD2 LEU A 21 -6.613 -3.079 3.872 1.00 0.00 C ATOM 0 H LEU A 21 -7.184 -5.403 5.627 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.119 -5.456 2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.588 -5.491 4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.473 -6.174 2.874 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.926 -3.799 2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.662 -3.030 1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.257 -4.742 0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.758 -4.307 1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.563 -2.074 3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.655 -3.353 4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.080 -3.102 4.822 1.00 0.00 H new ATOM 356 N SER A 22 -7.479 -8.210 4.410 1.00 0.00 N ATOM 357 CA SER A 22 -7.576 -9.692 4.263 1.00 0.00 C ATOM 358 C SER A 22 -8.895 -10.078 3.587 1.00 0.00 C ATOM 359 O SER A 22 -9.050 -11.178 3.095 1.00 0.00 O ATOM 360 CB SER A 22 -7.530 -10.234 5.691 1.00 0.00 C ATOM 361 OG SER A 22 -6.226 -10.726 5.965 1.00 0.00 O ATOM 0 H SER A 22 -7.306 -7.879 5.359 1.00 0.00 H new ATOM 0 HA SER A 22 -6.775 -10.096 3.644 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.791 -9.447 6.399 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.265 -11.030 5.814 1.00 0.00 H new ATOM 0 HG SER A 22 -6.193 -11.073 6.881 1.00 0.00 H new ATOM 367 N LYS A 23 -9.847 -9.187 3.562 1.00 0.00 N ATOM 368 CA LYS A 23 -11.156 -9.508 2.921 1.00 0.00 C ATOM 369 C LYS A 23 -10.960 -9.866 1.444 1.00 0.00 C ATOM 370 O LYS A 23 -11.677 -10.679 0.897 1.00 0.00 O ATOM 371 CB LYS A 23 -11.985 -8.232 3.057 1.00 0.00 C ATOM 372 CG LYS A 23 -12.727 -8.248 4.396 1.00 0.00 C ATOM 373 CD LYS A 23 -13.738 -7.102 4.435 1.00 0.00 C ATOM 374 CE LYS A 23 -13.998 -6.700 5.888 1.00 0.00 C ATOM 375 NZ LYS A 23 -15.451 -6.379 5.944 1.00 0.00 N ATOM 0 H LYS A 23 -9.776 -8.249 3.958 1.00 0.00 H new ATOM 0 HA LYS A 23 -11.641 -10.365 3.388 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.338 -7.357 2.998 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.697 -8.158 2.235 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.238 -9.202 4.529 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.018 -8.149 5.218 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.358 -6.249 3.873 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.670 -7.408 3.959 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.746 -7.510 6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.392 -5.840 6.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.707 -6.094 6.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.660 -5.600 5.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.003 -7.218 5.673 1.00 0.00 H new ATOM 389 N LYS A 24 -9.997 -9.270 0.794 1.00 0.00 N ATOM 390 CA LYS A 24 -9.765 -9.584 -0.645 1.00 0.00 C ATOM 391 C LYS A 24 -10.958 -9.127 -1.490 1.00 0.00 C ATOM 392 O LYS A 24 -11.962 -9.804 -1.581 1.00 0.00 O ATOM 393 CB LYS A 24 -9.624 -11.107 -0.700 1.00 0.00 C ATOM 394 CG LYS A 24 -8.909 -11.507 -1.992 1.00 0.00 C ATOM 395 CD LYS A 24 -7.414 -11.678 -1.716 1.00 0.00 C ATOM 396 CE LYS A 24 -7.205 -12.836 -0.738 1.00 0.00 C ATOM 397 NZ LYS A 24 -5.895 -13.431 -1.122 1.00 0.00 N ATOM 0 H LYS A 24 -9.362 -8.581 1.196 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.885 -9.076 -1.039 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.062 -11.462 0.164 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.607 -11.576 -0.656 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.327 -12.437 -2.379 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.064 -10.746 -2.757 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.882 -11.873 -2.647 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.002 -10.758 -1.300 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.192 -12.484 0.294 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.009 -13.568 -0.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.767 -14.337 -0.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.875 -13.592 -2.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.128 -12.781 -0.858 1.00 0.00 H new ATOM 411 N LYS A 25 -10.854 -7.984 -2.112 1.00 0.00 N ATOM 412 CA LYS A 25 -11.979 -7.485 -2.954 1.00 0.00 C ATOM 413 C LYS A 25 -11.549 -7.423 -4.423 1.00 0.00 C ATOM 414 O LYS A 25 -10.616 -6.731 -4.776 1.00 0.00 O ATOM 415 CB LYS A 25 -12.284 -6.085 -2.425 1.00 0.00 C ATOM 416 CG LYS A 25 -13.396 -5.452 -3.266 1.00 0.00 C ATOM 417 CD LYS A 25 -14.573 -5.081 -2.363 1.00 0.00 C ATOM 418 CE LYS A 25 -15.824 -5.837 -2.818 1.00 0.00 C ATOM 419 NZ LYS A 25 -16.780 -4.777 -3.245 1.00 0.00 N ATOM 0 H LYS A 25 -10.038 -7.374 -2.073 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.852 -8.136 -2.904 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.589 -6.138 -1.380 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.387 -5.467 -2.464 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.021 -4.564 -3.775 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.723 -6.148 -4.039 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.342 -5.329 -1.327 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.750 -4.006 -2.402 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.597 -6.518 -3.638 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.238 -6.439 -2.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -17.664 -5.218 -3.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.982 -4.148 -2.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.362 -4.225 -4.021 1.00 0.00 H new ATOM 433 N THR A 26 -12.219 -8.145 -5.278 1.00 0.00 N ATOM 434 CA THR A 26 -11.845 -8.134 -6.723 1.00 0.00 C ATOM 435 C THR A 26 -11.666 -6.697 -7.221 1.00 0.00 C ATOM 436 O THR A 26 -10.595 -6.307 -7.642 1.00 0.00 O ATOM 437 CB THR A 26 -13.017 -8.806 -7.438 1.00 0.00 C ATOM 438 OG1 THR A 26 -14.169 -7.982 -7.330 1.00 0.00 O ATOM 439 CG2 THR A 26 -13.296 -10.166 -6.796 1.00 0.00 C ATOM 0 H THR A 26 -13.010 -8.743 -5.040 1.00 0.00 H new ATOM 0 HA THR A 26 -10.902 -8.649 -6.906 1.00 0.00 H new ATOM 0 HB THR A 26 -12.770 -8.949 -8.490 1.00 0.00 H new ATOM 0 HG1 THR A 26 -14.922 -8.410 -7.789 1.00 0.00 H new ATOM 0 HG21 THR A 26 -14.132 -10.645 -7.306 1.00 0.00 H new ATOM 0 HG22 THR A 26 -12.411 -10.796 -6.880 1.00 0.00 H new ATOM 0 HG23 THR A 26 -13.545 -10.028 -5.744 1.00 0.00 H new ATOM 447 N ASP A 27 -12.702 -5.905 -7.180 1.00 0.00 N ATOM 448 CA ASP A 27 -12.576 -4.497 -7.654 1.00 0.00 C ATOM 449 C ASP A 27 -11.314 -3.867 -7.065 1.00 0.00 C ATOM 450 O ASP A 27 -10.459 -3.375 -7.776 1.00 0.00 O ATOM 451 CB ASP A 27 -13.826 -3.787 -7.129 1.00 0.00 C ATOM 452 CG ASP A 27 -15.031 -4.174 -7.988 1.00 0.00 C ATOM 453 OD1 ASP A 27 -14.976 -3.952 -9.186 1.00 0.00 O ATOM 454 OD2 ASP A 27 -15.990 -4.685 -7.432 1.00 0.00 O ATOM 0 H ASP A 27 -13.627 -6.170 -6.840 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.498 -4.426 -8.739 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.004 -4.062 -6.089 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.681 -2.707 -7.153 1.00 0.00 H new ATOM 459 N GLU A 28 -11.193 -3.883 -5.768 1.00 0.00 N ATOM 460 CA GLU A 28 -9.990 -3.292 -5.120 1.00 0.00 C ATOM 461 C GLU A 28 -8.725 -4.005 -5.605 1.00 0.00 C ATOM 462 O GLU A 28 -7.778 -3.384 -6.044 1.00 0.00 O ATOM 463 CB GLU A 28 -10.200 -3.528 -3.625 1.00 0.00 C ATOM 464 CG GLU A 28 -9.960 -2.226 -2.860 1.00 0.00 C ATOM 465 CD GLU A 28 -10.100 -2.485 -1.360 1.00 0.00 C ATOM 466 OE1 GLU A 28 -9.292 -3.228 -0.829 1.00 0.00 O ATOM 467 OE2 GLU A 28 -11.014 -1.937 -0.767 1.00 0.00 O ATOM 0 H GLU A 28 -11.878 -4.282 -5.126 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.866 -2.235 -5.355 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.213 -3.887 -3.442 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.519 -4.301 -3.270 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.966 -1.839 -3.082 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.676 -1.468 -3.178 1.00 0.00 H new ATOM 474 N LEU A 29 -8.704 -5.308 -5.527 1.00 0.00 N ATOM 475 CA LEU A 29 -7.503 -6.067 -5.981 1.00 0.00 C ATOM 476 C LEU A 29 -7.129 -5.669 -7.411 1.00 0.00 C ATOM 477 O LEU A 29 -5.969 -5.623 -7.769 1.00 0.00 O ATOM 478 CB LEU A 29 -7.927 -7.535 -5.930 1.00 0.00 C ATOM 479 CG LEU A 29 -6.806 -8.377 -5.317 1.00 0.00 C ATOM 480 CD1 LEU A 29 -5.479 -8.051 -6.005 1.00 0.00 C ATOM 481 CD2 LEU A 29 -6.697 -8.070 -3.820 1.00 0.00 C ATOM 0 H LEU A 29 -9.468 -5.881 -5.168 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.630 -5.868 -5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.837 -7.640 -5.340 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.155 -7.892 -6.934 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.032 -9.434 -5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.684 -8.653 -5.565 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.557 -8.274 -7.069 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.250 -6.994 -5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.899 -8.670 -3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.474 -7.012 -3.681 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.641 -8.310 -3.330 1.00 0.00 H new ATOM 493 N ARG A 30 -8.103 -5.390 -8.234 1.00 0.00 N ATOM 494 CA ARG A 30 -7.803 -5.005 -9.643 1.00 0.00 C ATOM 495 C ARG A 30 -7.031 -3.682 -9.694 1.00 0.00 C ATOM 496 O ARG A 30 -5.855 -3.652 -9.994 1.00 0.00 O ATOM 497 CB ARG A 30 -9.170 -4.851 -10.312 1.00 0.00 C ATOM 498 CG ARG A 30 -9.608 -6.194 -10.903 1.00 0.00 C ATOM 499 CD ARG A 30 -8.533 -6.703 -11.864 1.00 0.00 C ATOM 500 NE ARG A 30 -9.283 -7.178 -13.061 1.00 0.00 N ATOM 501 CZ ARG A 30 -9.328 -6.443 -14.138 1.00 0.00 C ATOM 502 NH1 ARG A 30 -8.222 -6.021 -14.686 1.00 0.00 N ATOM 503 NH2 ARG A 30 -10.478 -6.131 -14.669 1.00 0.00 N ATOM 0 H ARG A 30 -9.094 -5.412 -7.992 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.181 -5.748 -10.142 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.905 -4.505 -9.585 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.119 -4.096 -11.097 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.770 -6.919 -10.105 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.556 -6.080 -11.428 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.831 -5.912 -12.126 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.952 -7.509 -11.416 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.762 -8.078 -13.038 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.322 -6.266 -14.273 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.257 -5.446 -15.528 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.343 -6.462 -14.242 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.512 -5.556 -15.511 1.00 0.00 H new ATOM 517 N ASN A 31 -7.686 -2.588 -9.414 1.00 0.00 N ATOM 518 CA ASN A 31 -6.989 -1.269 -9.461 1.00 0.00 C ATOM 519 C ASN A 31 -5.721 -1.294 -8.599 1.00 0.00 C ATOM 520 O ASN A 31 -4.718 -0.695 -8.936 1.00 0.00 O ATOM 521 CB ASN A 31 -8.007 -0.258 -8.916 1.00 0.00 C ATOM 522 CG ASN A 31 -7.956 -0.225 -7.386 1.00 0.00 C ATOM 523 OD1 ASN A 31 -8.536 -1.172 -6.703 1.00 0.00 O flip ATOM 524 ND2 ASN A 31 -7.377 0.672 -6.806 1.00 0.00 N flip ATOM 0 H ASN A 31 -8.672 -2.550 -9.155 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.666 -1.012 -10.470 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.794 0.734 -9.315 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -9.010 -0.527 -9.248 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.923 1.414 -7.339 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.345 0.683 -5.787 1.00 0.00 H new ATOM 531 N LEU A 32 -5.758 -1.975 -7.488 1.00 0.00 N ATOM 532 CA LEU A 32 -4.558 -2.028 -6.604 1.00 0.00 C ATOM 533 C LEU A 32 -3.441 -2.843 -7.263 1.00 0.00 C ATOM 534 O LEU A 32 -2.402 -2.322 -7.613 1.00 0.00 O ATOM 535 CB LEU A 32 -5.037 -2.715 -5.325 1.00 0.00 C ATOM 536 CG LEU A 32 -5.766 -1.702 -4.442 1.00 0.00 C ATOM 537 CD1 LEU A 32 -6.428 -2.430 -3.271 1.00 0.00 C ATOM 538 CD2 LEU A 32 -4.763 -0.680 -3.905 1.00 0.00 C ATOM 0 H LEU A 32 -6.567 -2.498 -7.153 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.150 -1.036 -6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.702 -3.543 -5.572 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.188 -3.137 -4.787 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.528 -1.190 -5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.948 -1.708 -2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.142 -3.159 -3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.666 -2.942 -2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.282 0.043 -3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.001 -1.192 -3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.290 -0.161 -4.739 1.00 0.00 H new ATOM 550 N HIS A 33 -3.643 -4.120 -7.426 1.00 0.00 N ATOM 551 CA HIS A 33 -2.590 -4.970 -8.053 1.00 0.00 C ATOM 552 C HIS A 33 -2.289 -4.494 -9.476 1.00 0.00 C ATOM 553 O HIS A 33 -1.226 -4.744 -10.010 1.00 0.00 O ATOM 554 CB HIS A 33 -3.180 -6.379 -8.078 1.00 0.00 C ATOM 555 CG HIS A 33 -2.152 -7.361 -7.586 1.00 0.00 C ATOM 556 ND1 HIS A 33 -0.995 -7.635 -8.297 1.00 0.00 N ATOM 557 CD2 HIS A 33 -2.093 -8.140 -6.457 1.00 0.00 C ATOM 558 CE1 HIS A 33 -0.294 -8.545 -7.596 1.00 0.00 C ATOM 559 NE2 HIS A 33 -0.918 -8.887 -6.465 1.00 0.00 N ATOM 0 H HIS A 33 -4.492 -4.614 -7.152 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.651 -4.927 -7.502 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.070 -6.423 -7.451 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.490 -6.637 -9.091 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -0.724 -7.222 -9.189 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.844 -8.169 -5.681 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.657 -8.950 -7.909 1.00 0.00 H new ATOM 567 N LYS A 34 -3.214 -3.820 -10.100 1.00 0.00 N ATOM 568 CA LYS A 34 -2.972 -3.346 -11.492 1.00 0.00 C ATOM 569 C LYS A 34 -1.963 -2.195 -11.506 1.00 0.00 C ATOM 570 O LYS A 34 -1.121 -2.109 -12.378 1.00 0.00 O ATOM 571 CB LYS A 34 -4.336 -2.872 -11.997 1.00 0.00 C ATOM 572 CG LYS A 34 -4.150 -2.028 -13.259 1.00 0.00 C ATOM 573 CD LYS A 34 -4.414 -0.558 -12.931 1.00 0.00 C ATOM 574 CE LYS A 34 -5.902 -0.252 -13.114 1.00 0.00 C ATOM 575 NZ LYS A 34 -5.946 1.138 -13.644 1.00 0.00 N ATOM 0 H LYS A 34 -4.124 -3.577 -9.709 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.555 -4.132 -12.121 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.974 -3.729 -12.211 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.837 -2.287 -11.226 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.138 -2.150 -13.645 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.832 -2.366 -14.039 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.111 -0.343 -11.906 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.818 0.083 -13.580 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.367 -0.954 -13.807 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.441 -0.332 -12.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.935 1.421 -13.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.502 1.784 -12.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.431 1.182 -14.547 1.00 0.00 H new ATOM 589 N LEU A 35 -2.037 -1.313 -10.553 1.00 0.00 N ATOM 590 CA LEU A 35 -1.075 -0.176 -10.521 1.00 0.00 C ATOM 591 C LEU A 35 -0.117 -0.340 -9.341 1.00 0.00 C ATOM 592 O LEU A 35 1.080 -0.178 -9.469 1.00 0.00 O ATOM 593 CB LEU A 35 -1.935 1.074 -10.343 1.00 0.00 C ATOM 594 CG LEU A 35 -1.027 2.286 -10.143 1.00 0.00 C ATOM 595 CD1 LEU A 35 -1.330 3.334 -11.217 1.00 0.00 C ATOM 596 CD2 LEU A 35 -1.277 2.887 -8.758 1.00 0.00 C ATOM 0 H LEU A 35 -2.720 -1.328 -9.795 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.468 -0.121 -11.425 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.569 1.221 -11.217 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.597 0.955 -9.485 1.00 0.00 H new ATOM 0 HG LEU A 35 0.015 1.976 -10.222 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.682 4.199 -11.074 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.152 2.906 -12.204 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.372 3.644 -11.139 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.629 3.752 -8.614 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.319 3.197 -8.678 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.061 2.141 -7.993 1.00 0.00 H new ATOM 608 N LEU A 36 -0.640 -0.666 -8.195 1.00 0.00 N ATOM 609 CA LEU A 36 0.228 -0.849 -7.000 1.00 0.00 C ATOM 610 C LEU A 36 1.324 -1.878 -7.295 1.00 0.00 C ATOM 611 O LEU A 36 2.498 -1.608 -7.142 1.00 0.00 O ATOM 612 CB LEU A 36 -0.708 -1.358 -5.904 1.00 0.00 C ATOM 613 CG LEU A 36 -0.043 -1.172 -4.539 1.00 0.00 C ATOM 614 CD1 LEU A 36 -0.058 0.310 -4.160 1.00 0.00 C ATOM 615 CD2 LEU A 36 -0.810 -1.973 -3.485 1.00 0.00 C ATOM 0 H LEU A 36 -1.636 -0.815 -8.033 1.00 0.00 H new ATOM 0 HA LEU A 36 0.730 0.073 -6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.653 -0.816 -5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.939 -2.411 -6.068 1.00 0.00 H new ATOM 0 HG LEU A 36 0.987 -1.525 -4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.416 0.442 -3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.487 0.883 -4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.088 0.663 -4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.337 -1.841 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.840 -1.620 -3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.800 -3.030 -3.753 1.00 0.00 H new ATOM 627 N TYR A 37 0.950 -3.061 -7.708 1.00 0.00 N ATOM 628 CA TYR A 37 1.977 -4.104 -8.001 1.00 0.00 C ATOM 629 C TYR A 37 2.122 -4.304 -9.510 1.00 0.00 C ATOM 630 O TYR A 37 2.939 -5.079 -9.967 1.00 0.00 O ATOM 631 CB TYR A 37 1.445 -5.374 -7.338 1.00 0.00 C ATOM 632 CG TYR A 37 2.146 -5.587 -6.017 1.00 0.00 C ATOM 633 CD1 TYR A 37 3.415 -6.179 -5.982 1.00 0.00 C ATOM 634 CD2 TYR A 37 1.526 -5.193 -4.824 1.00 0.00 C ATOM 635 CE1 TYR A 37 4.062 -6.376 -4.756 1.00 0.00 C ATOM 636 CE2 TYR A 37 2.173 -5.390 -3.599 1.00 0.00 C ATOM 637 CZ TYR A 37 3.442 -5.982 -3.565 1.00 0.00 C ATOM 638 OH TYR A 37 4.080 -6.176 -2.357 1.00 0.00 O ATOM 0 H TYR A 37 -0.017 -3.349 -7.854 1.00 0.00 H new ATOM 0 HA TYR A 37 2.963 -3.828 -7.627 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.369 -5.292 -7.181 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.607 -6.232 -7.990 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.894 -6.483 -6.901 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.547 -4.737 -4.850 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.040 -6.832 -4.730 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.694 -5.086 -2.680 1.00 0.00 H new ATOM 0 HH TYR A 37 3.480 -5.920 -1.625 1.00 0.00 H new ATOM 648 N ASN A 38 1.337 -3.612 -10.290 1.00 0.00 N ATOM 649 CA ASN A 38 1.436 -3.769 -11.770 1.00 0.00 C ATOM 650 C ASN A 38 1.349 -5.250 -12.155 1.00 0.00 C ATOM 651 O ASN A 38 2.023 -5.707 -13.057 1.00 0.00 O ATOM 652 CB ASN A 38 2.809 -3.203 -12.138 1.00 0.00 C ATOM 653 CG ASN A 38 2.974 -1.814 -11.518 1.00 0.00 C ATOM 654 OD1 ASN A 38 3.400 -1.708 -10.290 1.00 0.00 O flip ATOM 655 ND2 ASN A 38 2.712 -0.815 -12.160 1.00 0.00 N flip ATOM 0 H ASN A 38 0.634 -2.947 -9.969 1.00 0.00 H new ATOM 0 HA ASN A 38 0.628 -3.257 -12.292 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.595 -3.868 -11.780 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.910 -3.143 -13.222 1.00 0.00 H new ATOM 0 HD21 ASN A 38 2.379 -0.899 -13.120 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.825 0.107 -11.738 1.00 0.00 H new ATOM 662 N ARG A 39 0.524 -6.004 -11.479 1.00 0.00 N ATOM 663 CA ARG A 39 0.398 -7.453 -11.810 1.00 0.00 C ATOM 664 C ARG A 39 -1.072 -7.884 -11.762 1.00 0.00 C ATOM 665 O ARG A 39 -1.931 -7.117 -11.374 1.00 0.00 O ATOM 666 CB ARG A 39 1.207 -8.175 -10.733 1.00 0.00 C ATOM 667 CG ARG A 39 2.341 -8.964 -11.390 1.00 0.00 C ATOM 668 CD ARG A 39 3.683 -8.496 -10.824 1.00 0.00 C ATOM 669 NE ARG A 39 4.402 -7.904 -11.987 1.00 0.00 N ATOM 670 CZ ARG A 39 5.563 -8.379 -12.348 1.00 0.00 C ATOM 671 NH1 ARG A 39 5.628 -9.432 -13.118 1.00 0.00 N ATOM 672 NH2 ARG A 39 6.660 -7.802 -11.940 1.00 0.00 N ATOM 0 H ARG A 39 -0.067 -5.680 -10.713 1.00 0.00 H new ATOM 0 HA ARG A 39 0.759 -7.681 -12.813 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.614 -7.454 -10.024 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.562 -8.847 -10.168 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.209 -10.031 -11.208 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.320 -8.820 -12.470 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.543 -7.762 -10.030 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.242 -9.327 -10.395 1.00 0.00 H new ATOM 0 HE ARG A 39 3.987 -7.127 -12.501 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.771 -9.884 -13.438 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.536 -9.803 -13.400 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.610 -6.980 -11.339 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.567 -8.173 -12.222 1.00 0.00 H new ATOM 686 N PRO A 40 -1.311 -9.104 -12.164 1.00 0.00 N ATOM 687 CA PRO A 40 -2.691 -9.651 -12.173 1.00 0.00 C ATOM 688 C PRO A 40 -3.172 -9.934 -10.746 1.00 0.00 C ATOM 689 O PRO A 40 -4.263 -9.557 -10.364 1.00 0.00 O ATOM 690 CB PRO A 40 -2.559 -10.945 -12.971 1.00 0.00 C ATOM 691 CG PRO A 40 -1.125 -11.346 -12.826 1.00 0.00 C ATOM 692 CD PRO A 40 -0.326 -10.081 -12.644 1.00 0.00 C ATOM 0 HA PRO A 40 -3.419 -8.963 -12.603 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.225 -11.716 -12.585 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.822 -10.792 -14.018 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.995 -12.010 -11.971 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.787 -11.892 -13.707 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.482 -10.219 -11.925 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.131 -9.760 -13.580 1.00 0.00 H new ATOM 700 N GLY A 41 -2.371 -10.592 -9.954 1.00 0.00 N ATOM 701 CA GLY A 41 -2.789 -10.893 -8.556 1.00 0.00 C ATOM 702 C GLY A 41 -2.773 -12.407 -8.324 1.00 0.00 C ATOM 703 O GLY A 41 -3.420 -13.159 -9.024 1.00 0.00 O ATOM 0 H GLY A 41 -1.446 -10.934 -10.214 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.118 -10.401 -7.852 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.788 -10.498 -8.373 1.00 0.00 H new ATOM 707 N THR A 42 -2.041 -12.856 -7.339 1.00 0.00 N ATOM 708 CA THR A 42 -1.985 -14.319 -7.051 1.00 0.00 C ATOM 709 C THR A 42 -2.213 -14.563 -5.557 1.00 0.00 C ATOM 710 O THR A 42 -1.895 -13.732 -4.732 1.00 0.00 O ATOM 711 CB THR A 42 -0.575 -14.751 -7.459 1.00 0.00 C ATOM 712 OG1 THR A 42 -0.073 -13.857 -8.441 1.00 0.00 O ATOM 713 CG2 THR A 42 -0.620 -16.170 -8.033 1.00 0.00 C ATOM 0 H THR A 42 -1.479 -12.272 -6.721 1.00 0.00 H new ATOM 0 HA THR A 42 -2.750 -14.880 -7.588 1.00 0.00 H new ATOM 0 HB THR A 42 0.077 -14.735 -6.586 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.831 -14.132 -8.702 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.385 -16.477 -8.323 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.005 -16.856 -7.278 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.272 -16.189 -8.906 1.00 0.00 H new ATOM 721 N VAL A 43 -2.765 -15.691 -5.201 1.00 0.00 N ATOM 722 CA VAL A 43 -3.015 -15.981 -3.757 1.00 0.00 C ATOM 723 C VAL A 43 -1.832 -15.511 -2.901 1.00 0.00 C ATOM 724 O VAL A 43 -2.007 -14.867 -1.884 1.00 0.00 O ATOM 725 CB VAL A 43 -3.168 -17.500 -3.678 1.00 0.00 C ATOM 726 CG1 VAL A 43 -3.595 -17.898 -2.264 1.00 0.00 C ATOM 727 CG2 VAL A 43 -4.235 -17.956 -4.677 1.00 0.00 C ATOM 0 H VAL A 43 -3.054 -16.426 -5.847 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.897 -15.462 -3.382 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.216 -17.974 -3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.704 -18.981 -2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.838 -17.572 -1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.547 -17.425 -2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.346 -19.039 -4.622 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.186 -17.481 -4.435 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.934 -17.673 -5.686 1.00 0.00 H new ATOM 737 N SER A 44 -0.630 -15.824 -3.305 1.00 0.00 N ATOM 738 CA SER A 44 0.562 -15.394 -2.515 1.00 0.00 C ATOM 739 C SER A 44 0.722 -13.872 -2.582 1.00 0.00 C ATOM 740 O SER A 44 1.091 -13.233 -1.615 1.00 0.00 O ATOM 741 CB SER A 44 1.747 -16.095 -3.179 1.00 0.00 C ATOM 742 OG SER A 44 2.509 -15.144 -3.912 1.00 0.00 O ATOM 0 H SER A 44 -0.421 -16.359 -4.148 1.00 0.00 H new ATOM 0 HA SER A 44 0.477 -15.653 -1.460 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.371 -16.573 -2.424 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.392 -16.883 -3.844 1.00 0.00 H new ATOM 0 HG SER A 44 3.270 -15.592 -4.337 1.00 0.00 H new ATOM 748 N SER A 45 0.438 -13.286 -3.712 1.00 0.00 N ATOM 749 CA SER A 45 0.565 -11.805 -3.836 1.00 0.00 C ATOM 750 C SER A 45 -0.707 -11.145 -3.309 1.00 0.00 C ATOM 751 O SER A 45 -0.675 -10.368 -2.376 1.00 0.00 O ATOM 752 CB SER A 45 0.729 -11.541 -5.333 1.00 0.00 C ATOM 753 OG SER A 45 2.113 -11.460 -5.647 1.00 0.00 O ATOM 0 H SER A 45 0.124 -13.767 -4.555 1.00 0.00 H new ATOM 0 HA SER A 45 1.403 -11.404 -3.267 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.260 -12.339 -5.908 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.227 -10.613 -5.607 1.00 0.00 H new ATOM 0 HG SER A 45 2.400 -10.523 -5.620 1.00 0.00 H new ATOM 759 N LEU A 46 -1.821 -11.468 -3.905 1.00 0.00 N ATOM 760 CA LEU A 46 -3.125 -10.894 -3.464 1.00 0.00 C ATOM 761 C LEU A 46 -3.140 -10.685 -1.948 1.00 0.00 C ATOM 762 O LEU A 46 -3.387 -9.600 -1.462 1.00 0.00 O ATOM 763 CB LEU A 46 -4.150 -11.956 -3.861 1.00 0.00 C ATOM 764 CG LEU A 46 -4.292 -11.988 -5.382 1.00 0.00 C ATOM 765 CD1 LEU A 46 -4.876 -13.333 -5.814 1.00 0.00 C ATOM 766 CD2 LEU A 46 -5.227 -10.863 -5.823 1.00 0.00 C ATOM 0 H LEU A 46 -1.885 -12.115 -4.691 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.325 -9.921 -3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.837 -12.933 -3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.113 -11.737 -3.400 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.313 -11.855 -5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.977 -13.354 -6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.213 -14.137 -5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.856 -13.468 -5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.332 -10.881 -6.908 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.205 -11.001 -5.362 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.812 -9.903 -5.515 1.00 0.00 H new ATOM 778 N LYS A 47 -2.878 -11.719 -1.199 1.00 0.00 N ATOM 779 CA LYS A 47 -2.878 -11.586 0.285 1.00 0.00 C ATOM 780 C LYS A 47 -1.698 -10.724 0.749 1.00 0.00 C ATOM 781 O LYS A 47 -1.865 -9.764 1.475 1.00 0.00 O ATOM 782 CB LYS A 47 -2.730 -13.017 0.806 1.00 0.00 C ATOM 783 CG LYS A 47 -3.189 -13.082 2.262 1.00 0.00 C ATOM 784 CD LYS A 47 -4.648 -13.536 2.316 1.00 0.00 C ATOM 785 CE LYS A 47 -5.445 -12.589 3.215 1.00 0.00 C ATOM 786 NZ LYS A 47 -5.101 -12.999 4.605 1.00 0.00 N ATOM 0 H LYS A 47 -2.663 -12.652 -1.551 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.783 -11.103 0.654 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.322 -13.700 0.197 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.691 -13.338 0.727 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.560 -13.774 2.822 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.083 -12.104 2.732 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.074 -13.546 1.313 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.709 -14.555 2.699 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.174 -11.549 3.032 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.516 -12.677 3.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.514 -12.323 5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.481 -13.949 4.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.067 -13.012 4.717 1.00 0.00 H new ATOM 800 N LYS A 48 -0.505 -11.066 0.343 1.00 0.00 N ATOM 801 CA LYS A 48 0.686 -10.275 0.769 1.00 0.00 C ATOM 802 C LYS A 48 0.692 -8.892 0.107 1.00 0.00 C ATOM 803 O LYS A 48 0.527 -7.882 0.762 1.00 0.00 O ATOM 804 CB LYS A 48 1.889 -11.094 0.300 1.00 0.00 C ATOM 805 CG LYS A 48 1.878 -12.456 0.994 1.00 0.00 C ATOM 806 CD LYS A 48 2.504 -12.327 2.384 1.00 0.00 C ATOM 807 CE LYS A 48 2.104 -13.532 3.238 1.00 0.00 C ATOM 808 NZ LYS A 48 3.056 -13.525 4.386 1.00 0.00 N ATOM 0 H LYS A 48 -0.303 -11.859 -0.266 1.00 0.00 H new ATOM 0 HA LYS A 48 0.694 -10.103 1.845 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.855 -11.224 -0.782 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.814 -10.565 0.528 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.856 -12.825 1.077 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.432 -13.183 0.400 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.589 -12.270 2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.172 -11.404 2.860 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.073 -13.448 3.580 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.177 -14.460 2.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.844 -14.324 5.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.029 -13.613 4.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.959 -12.633 4.912 1.00 0.00 H new ATOM 822 N ASN A 49 0.891 -8.844 -1.183 1.00 0.00 N ATOM 823 CA ASN A 49 0.923 -7.530 -1.895 1.00 0.00 C ATOM 824 C ASN A 49 -0.130 -6.580 -1.324 1.00 0.00 C ATOM 825 O ASN A 49 0.177 -5.486 -0.891 1.00 0.00 O ATOM 826 CB ASN A 49 0.609 -7.864 -3.354 1.00 0.00 C ATOM 827 CG ASN A 49 1.858 -8.430 -4.034 1.00 0.00 C ATOM 828 OD1 ASN A 49 1.952 -8.434 -5.246 1.00 0.00 O ATOM 829 ND2 ASN A 49 2.828 -8.914 -3.305 1.00 0.00 N ATOM 0 H ASN A 49 1.033 -9.660 -1.778 1.00 0.00 H new ATOM 0 HA ASN A 49 1.885 -7.030 -1.785 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.204 -8.588 -3.404 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.272 -6.969 -3.878 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.662 -9.294 -3.753 1.00 0.00 H new ATOM 0 HD22 ASN A 49 2.752 -8.912 -2.288 1.00 0.00 H new ATOM 836 N VAL A 50 -1.369 -6.984 -1.315 1.00 0.00 N ATOM 837 CA VAL A 50 -2.436 -6.098 -0.769 1.00 0.00 C ATOM 838 C VAL A 50 -2.046 -5.601 0.626 1.00 0.00 C ATOM 839 O VAL A 50 -2.227 -4.446 0.955 1.00 0.00 O ATOM 840 CB VAL A 50 -3.684 -6.978 -0.703 1.00 0.00 C ATOM 841 CG1 VAL A 50 -4.780 -6.263 0.092 1.00 0.00 C ATOM 842 CG2 VAL A 50 -4.187 -7.251 -2.123 1.00 0.00 C ATOM 0 H VAL A 50 -1.690 -7.888 -1.661 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.597 -5.213 -1.384 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.436 -7.919 -0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.668 -6.894 0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.425 -6.064 1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.029 -5.321 -0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.077 -7.879 -2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.432 -6.307 -2.610 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.410 -7.762 -2.692 1.00 0.00 H new ATOM 852 N GLY A 51 -1.510 -6.463 1.450 1.00 0.00 N ATOM 853 CA GLY A 51 -1.112 -6.032 2.817 1.00 0.00 C ATOM 854 C GLY A 51 0.398 -6.198 2.987 1.00 0.00 C ATOM 855 O GLY A 51 0.871 -6.613 4.024 1.00 0.00 O ATOM 0 H GLY A 51 -1.332 -7.444 1.234 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.394 -4.992 2.978 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.640 -6.625 3.564 1.00 0.00 H new ATOM 859 N GLN A 52 1.159 -5.874 1.979 1.00 0.00 N ATOM 860 CA GLN A 52 2.640 -6.010 2.087 1.00 0.00 C ATOM 861 C GLN A 52 3.309 -5.441 0.835 1.00 0.00 C ATOM 862 O GLN A 52 3.856 -6.166 0.027 1.00 0.00 O ATOM 863 CB GLN A 52 2.900 -7.514 2.204 1.00 0.00 C ATOM 864 CG GLN A 52 3.733 -7.794 3.457 1.00 0.00 C ATOM 865 CD GLN A 52 5.217 -7.837 3.087 1.00 0.00 C ATOM 866 OE1 GLN A 52 5.721 -8.860 2.668 1.00 0.00 O ATOM 867 NE2 GLN A 52 5.943 -6.761 3.222 1.00 0.00 N ATOM 0 H GLN A 52 0.820 -5.521 1.084 1.00 0.00 H new ATOM 0 HA GLN A 52 3.044 -5.466 2.941 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.955 -8.054 2.255 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.424 -7.873 1.318 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.556 -7.020 4.204 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.431 -8.742 3.902 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.521 -5.902 3.574 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.933 -6.779 2.976 1.00 0.00 H new ATOM 876 N PHE A 53 3.270 -4.148 0.666 1.00 0.00 N ATOM 877 CA PHE A 53 3.904 -3.533 -0.534 1.00 0.00 C ATOM 878 C PHE A 53 5.081 -2.648 -0.117 1.00 0.00 C ATOM 879 O PHE A 53 5.832 -2.166 -0.941 1.00 0.00 O ATOM 880 CB PHE A 53 2.801 -2.690 -1.173 1.00 0.00 C ATOM 881 CG PHE A 53 3.396 -1.815 -2.250 1.00 0.00 C ATOM 882 CD1 PHE A 53 3.785 -2.374 -3.474 1.00 0.00 C ATOM 883 CD2 PHE A 53 3.562 -0.443 -2.022 1.00 0.00 C ATOM 884 CE1 PHE A 53 4.337 -1.561 -4.470 1.00 0.00 C ATOM 885 CE2 PHE A 53 4.116 0.369 -3.020 1.00 0.00 C ATOM 886 CZ PHE A 53 4.503 -0.189 -4.243 1.00 0.00 C ATOM 0 H PHE A 53 2.826 -3.491 1.307 1.00 0.00 H new ATOM 0 HA PHE A 53 4.298 -4.281 -1.222 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.034 -3.337 -1.598 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.315 -2.074 -0.416 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.659 -3.432 -3.649 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.263 -0.012 -1.078 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.635 -1.992 -5.414 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.244 1.427 -2.845 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.930 0.438 -5.012 1.00 0.00 H new ATOM 896 N SER A 54 5.247 -2.430 1.160 1.00 0.00 N ATOM 897 CA SER A 54 6.375 -1.576 1.632 1.00 0.00 C ATOM 898 C SER A 54 6.181 -0.133 1.158 1.00 0.00 C ATOM 899 O SER A 54 6.207 0.152 -0.023 1.00 0.00 O ATOM 900 CB SER A 54 7.625 -2.192 0.999 1.00 0.00 C ATOM 901 OG SER A 54 8.233 -1.247 0.128 1.00 0.00 O ATOM 0 H SER A 54 4.650 -2.806 1.897 1.00 0.00 H new ATOM 0 HA SER A 54 6.444 -1.542 2.719 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.329 -2.491 1.776 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.359 -3.093 0.446 1.00 0.00 H new ATOM 0 HG SER A 54 7.584 -0.961 -0.548 1.00 0.00 H new ATOM 907 N GLY A 55 5.986 0.781 2.071 1.00 0.00 N ATOM 908 CA GLY A 55 5.793 2.203 1.670 1.00 0.00 C ATOM 909 C GLY A 55 4.738 2.856 2.566 1.00 0.00 C ATOM 910 O GLY A 55 4.870 3.996 2.962 1.00 0.00 O ATOM 0 H GLY A 55 5.952 0.604 3.075 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.736 2.744 1.749 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.481 2.257 0.627 1.00 0.00 H new ATOM 914 N PHE A 56 3.689 2.148 2.884 1.00 0.00 N ATOM 915 CA PHE A 56 2.628 2.741 3.748 1.00 0.00 C ATOM 916 C PHE A 56 3.243 3.350 5.023 1.00 0.00 C ATOM 917 O PHE A 56 3.318 4.558 5.133 1.00 0.00 O ATOM 918 CB PHE A 56 1.680 1.579 4.058 1.00 0.00 C ATOM 919 CG PHE A 56 0.670 1.442 2.946 1.00 0.00 C ATOM 920 CD1 PHE A 56 1.087 1.052 1.668 1.00 0.00 C ATOM 921 CD2 PHE A 56 -0.684 1.704 3.190 1.00 0.00 C ATOM 922 CE1 PHE A 56 0.152 0.922 0.635 1.00 0.00 C ATOM 923 CE2 PHE A 56 -1.619 1.574 2.158 1.00 0.00 C ATOM 924 CZ PHE A 56 -1.200 1.183 0.879 1.00 0.00 C ATOM 0 H PHE A 56 3.520 1.188 2.584 1.00 0.00 H new ATOM 0 HA PHE A 56 2.099 3.561 3.263 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.246 0.653 4.166 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.171 1.754 5.006 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.131 0.851 1.479 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.006 2.007 4.175 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.474 0.620 -0.351 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.663 1.775 2.347 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.922 1.083 0.082 1.00 0.00 H new ATOM 934 N PRO A 57 3.671 2.520 5.949 1.00 0.00 N ATOM 935 CA PRO A 57 4.278 3.047 7.205 1.00 0.00 C ATOM 936 C PRO A 57 5.699 3.580 6.956 1.00 0.00 C ATOM 937 O PRO A 57 6.612 3.289 7.705 1.00 0.00 O ATOM 938 CB PRO A 57 4.329 1.825 8.115 1.00 0.00 C ATOM 939 CG PRO A 57 4.373 0.655 7.187 1.00 0.00 C ATOM 940 CD PRO A 57 3.629 1.051 5.940 1.00 0.00 C ATOM 0 HA PRO A 57 3.712 3.879 7.624 1.00 0.00 H new ATOM 0 HB2 PRO A 57 5.207 1.850 8.761 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.456 1.780 8.766 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.403 0.388 6.952 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.914 -0.220 7.648 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.103 0.644 5.047 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.604 0.681 5.953 1.00 0.00 H new ATOM 948 N PHE A 58 5.901 4.352 5.922 1.00 0.00 N ATOM 949 CA PHE A 58 7.272 4.887 5.651 1.00 0.00 C ATOM 950 C PHE A 58 7.391 6.348 6.107 1.00 0.00 C ATOM 951 O PHE A 58 6.899 6.718 7.155 1.00 0.00 O ATOM 952 CB PHE A 58 7.467 4.750 4.134 1.00 0.00 C ATOM 953 CG PHE A 58 6.686 5.805 3.371 1.00 0.00 C ATOM 954 CD1 PHE A 58 5.634 6.510 3.973 1.00 0.00 C ATOM 955 CD2 PHE A 58 7.022 6.069 2.036 1.00 0.00 C ATOM 956 CE1 PHE A 58 4.925 7.472 3.244 1.00 0.00 C ATOM 957 CE2 PHE A 58 6.314 7.032 1.308 1.00 0.00 C ATOM 958 CZ PHE A 58 5.265 7.733 1.913 1.00 0.00 C ATOM 0 H PHE A 58 5.183 4.635 5.256 1.00 0.00 H new ATOM 0 HA PHE A 58 8.040 4.342 6.201 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.527 4.837 3.894 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.148 3.758 3.814 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.370 6.310 5.001 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.830 5.527 1.567 1.00 0.00 H new ATOM 0 HE1 PHE A 58 4.115 8.013 3.710 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.577 7.234 0.280 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.718 8.476 1.352 1.00 0.00 H new ATOM 968 N GLU A 59 8.036 7.181 5.334 1.00 0.00 N ATOM 969 CA GLU A 59 8.177 8.611 5.737 1.00 0.00 C ATOM 970 C GLU A 59 7.404 9.517 4.773 1.00 0.00 C ATOM 971 O GLU A 59 6.869 9.069 3.778 1.00 0.00 O ATOM 972 CB GLU A 59 9.675 8.908 5.657 1.00 0.00 C ATOM 973 CG GLU A 59 10.186 9.318 7.041 1.00 0.00 C ATOM 974 CD GLU A 59 10.809 8.106 7.734 1.00 0.00 C ATOM 975 OE1 GLU A 59 11.773 7.577 7.206 1.00 0.00 O ATOM 976 OE2 GLU A 59 10.312 7.729 8.782 1.00 0.00 O ATOM 0 H GLU A 59 8.470 6.935 4.444 1.00 0.00 H new ATOM 0 HA GLU A 59 7.778 8.792 6.735 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.213 8.028 5.304 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.861 9.705 4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.923 10.115 6.947 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.366 9.712 7.641 1.00 0.00 H new ATOM 983 N LYS A 60 7.343 10.787 5.062 1.00 0.00 N ATOM 984 CA LYS A 60 6.604 11.724 4.167 1.00 0.00 C ATOM 985 C LYS A 60 7.449 12.972 3.894 1.00 0.00 C ATOM 986 O LYS A 60 6.946 13.988 3.457 1.00 0.00 O ATOM 987 CB LYS A 60 5.340 12.093 4.942 1.00 0.00 C ATOM 988 CG LYS A 60 5.725 12.652 6.315 1.00 0.00 C ATOM 989 CD LYS A 60 5.051 11.822 7.410 1.00 0.00 C ATOM 990 CE LYS A 60 6.003 11.672 8.598 1.00 0.00 C ATOM 991 NZ LYS A 60 5.729 10.312 9.142 1.00 0.00 N ATOM 0 H LYS A 60 7.773 11.218 5.880 1.00 0.00 H new ATOM 0 HA LYS A 60 6.375 11.278 3.199 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.763 12.832 4.386 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.704 11.215 5.060 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.808 12.627 6.439 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.419 13.695 6.394 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.127 12.304 7.730 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.780 10.840 7.022 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.043 11.770 8.286 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.822 12.441 9.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.345 10.135 9.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.734 10.250 9.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.917 9.600 8.408 1.00 0.00 H new ATOM 1005 N GLY A 61 8.726 12.903 4.149 1.00 0.00 N ATOM 1006 CA GLY A 61 9.601 14.085 3.905 1.00 0.00 C ATOM 1007 C GLY A 61 10.599 13.762 2.792 1.00 0.00 C ATOM 1008 O GLY A 61 11.797 13.779 2.997 1.00 0.00 O ATOM 0 H GLY A 61 9.202 12.079 4.516 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.995 14.947 3.626 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.133 14.351 4.818 1.00 0.00 H new ATOM 1012 N SER A 62 10.117 13.468 1.617 1.00 0.00 N ATOM 1013 CA SER A 62 11.043 13.145 0.494 1.00 0.00 C ATOM 1014 C SER A 62 10.313 13.263 -0.846 1.00 0.00 C ATOM 1015 O SER A 62 9.107 13.382 -0.900 1.00 0.00 O ATOM 1016 CB SER A 62 11.478 11.701 0.743 1.00 0.00 C ATOM 1017 OG SER A 62 12.835 11.688 1.166 1.00 0.00 O ATOM 0 H SER A 62 9.124 13.437 1.385 1.00 0.00 H new ATOM 0 HA SER A 62 11.893 13.826 0.452 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.844 11.243 1.502 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.362 11.112 -0.167 1.00 0.00 H new ATOM 0 HG SER A 62 12.953 12.321 1.905 1.00 0.00 H new ATOM 1023 N VAL A 63 11.037 13.230 -1.929 1.00 0.00 N ATOM 1024 CA VAL A 63 10.384 13.337 -3.263 1.00 0.00 C ATOM 1025 C VAL A 63 9.190 12.380 -3.342 1.00 0.00 C ATOM 1026 O VAL A 63 8.125 12.736 -3.804 1.00 0.00 O ATOM 1027 CB VAL A 63 11.465 12.933 -4.265 1.00 0.00 C ATOM 1028 CG1 VAL A 63 10.869 12.888 -5.674 1.00 0.00 C ATOM 1029 CG2 VAL A 63 12.603 13.956 -4.227 1.00 0.00 C ATOM 0 H VAL A 63 12.052 13.134 -1.948 1.00 0.00 H new ATOM 0 HA VAL A 63 10.002 14.339 -3.460 1.00 0.00 H new ATOM 0 HB VAL A 63 11.850 11.948 -4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.642 12.600 -6.387 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.058 12.160 -5.703 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.482 13.872 -5.937 1.00 0.00 H new ATOM 0 HG21 VAL A 63 13.375 13.669 -4.941 1.00 0.00 H new ATOM 0 HG22 VAL A 63 12.216 14.941 -4.488 1.00 0.00 H new ATOM 0 HG23 VAL A 63 13.030 13.988 -3.225 1.00 0.00 H new ATOM 1039 N GLN A 64 9.366 11.166 -2.897 1.00 0.00 N ATOM 1040 CA GLN A 64 8.248 10.180 -2.947 1.00 0.00 C ATOM 1041 C GLN A 64 7.000 10.752 -2.269 1.00 0.00 C ATOM 1042 O GLN A 64 5.904 10.655 -2.784 1.00 0.00 O ATOM 1043 CB GLN A 64 8.761 8.960 -2.181 1.00 0.00 C ATOM 1044 CG GLN A 64 9.174 9.378 -0.769 1.00 0.00 C ATOM 1045 CD GLN A 64 10.043 8.287 -0.143 1.00 0.00 C ATOM 1046 OE1 GLN A 64 11.324 8.264 -0.395 1.00 0.00 O flip ATOM 1047 NE2 GLN A 64 9.554 7.445 0.582 1.00 0.00 N flip ATOM 0 H GLN A 64 10.237 10.813 -2.500 1.00 0.00 H new ATOM 0 HA GLN A 64 7.965 9.932 -3.970 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.985 8.196 -2.133 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.610 8.520 -2.704 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.723 10.319 -0.804 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.289 9.548 -0.156 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.554 7.461 0.780 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.144 6.721 0.993 1.00 0.00 H new ATOM 1056 N TYR A 65 7.156 11.351 -1.119 1.00 0.00 N ATOM 1057 CA TYR A 65 5.977 11.927 -0.416 1.00 0.00 C ATOM 1058 C TYR A 65 5.171 12.798 -1.387 1.00 0.00 C ATOM 1059 O TYR A 65 4.069 12.458 -1.769 1.00 0.00 O ATOM 1060 CB TYR A 65 6.575 12.749 0.735 1.00 0.00 C ATOM 1061 CG TYR A 65 5.678 13.916 1.078 1.00 0.00 C ATOM 1062 CD1 TYR A 65 4.356 13.691 1.476 1.00 0.00 C ATOM 1063 CD2 TYR A 65 6.175 15.221 1.001 1.00 0.00 C ATOM 1064 CE1 TYR A 65 3.527 14.773 1.795 1.00 0.00 C ATOM 1065 CE2 TYR A 65 5.348 16.303 1.320 1.00 0.00 C ATOM 1066 CZ TYR A 65 4.025 16.081 1.717 1.00 0.00 C ATOM 1067 OH TYR A 65 3.209 17.148 2.033 1.00 0.00 O ATOM 0 H TYR A 65 8.048 11.466 -0.638 1.00 0.00 H new ATOM 0 HA TYR A 65 5.286 11.172 -0.041 1.00 0.00 H new ATOM 0 HB2 TYR A 65 6.707 12.115 1.612 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.563 13.113 0.454 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.975 12.682 1.537 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.196 15.393 0.695 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.506 14.600 2.101 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.731 17.311 1.260 1.00 0.00 H new ATOM 0 HH TYR A 65 3.709 17.984 1.928 1.00 0.00 H new ATOM 1077 N LYS A 66 5.712 13.913 -1.800 1.00 0.00 N ATOM 1078 CA LYS A 66 4.964 14.780 -2.757 1.00 0.00 C ATOM 1079 C LYS A 66 4.383 13.907 -3.870 1.00 0.00 C ATOM 1080 O LYS A 66 3.220 14.008 -4.221 1.00 0.00 O ATOM 1081 CB LYS A 66 6.005 15.751 -3.315 1.00 0.00 C ATOM 1082 CG LYS A 66 6.246 16.876 -2.307 1.00 0.00 C ATOM 1083 CD LYS A 66 7.737 16.954 -1.976 1.00 0.00 C ATOM 1084 CE LYS A 66 8.244 18.375 -2.231 1.00 0.00 C ATOM 1085 NZ LYS A 66 9.658 18.213 -2.674 1.00 0.00 N ATOM 0 H LYS A 66 6.630 14.259 -1.520 1.00 0.00 H new ATOM 0 HA LYS A 66 4.136 15.314 -2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.937 15.224 -3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.660 16.165 -4.263 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.904 17.826 -2.718 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.670 16.695 -1.399 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.904 16.679 -0.935 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.293 16.243 -2.587 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.647 18.875 -2.994 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.181 18.983 -1.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.071 19.148 -2.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.204 17.741 -1.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.687 17.637 -3.539 1.00 0.00 H new ATOM 1099 N LYS A 67 5.185 13.031 -4.412 1.00 0.00 N ATOM 1100 CA LYS A 67 4.686 12.130 -5.483 1.00 0.00 C ATOM 1101 C LYS A 67 3.331 11.562 -5.066 1.00 0.00 C ATOM 1102 O LYS A 67 2.331 11.762 -5.727 1.00 0.00 O ATOM 1103 CB LYS A 67 5.729 11.015 -5.586 1.00 0.00 C ATOM 1104 CG LYS A 67 5.814 10.527 -7.034 1.00 0.00 C ATOM 1105 CD LYS A 67 6.560 11.561 -7.879 1.00 0.00 C ATOM 1106 CE LYS A 67 7.218 10.869 -9.075 1.00 0.00 C ATOM 1107 NZ LYS A 67 8.232 11.841 -9.571 1.00 0.00 N ATOM 0 H LYS A 67 6.164 12.902 -4.157 1.00 0.00 H new ATOM 0 HA LYS A 67 4.552 12.639 -6.437 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.702 11.381 -5.257 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.460 10.189 -4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.330 9.568 -7.076 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.813 10.368 -7.435 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.869 12.329 -8.226 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.316 12.062 -7.275 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.684 9.929 -8.780 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.486 10.634 -9.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.726 11.438 -10.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.759 12.724 -9.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.920 12.041 -8.817 1.00 0.00 H new ATOM 1121 N LYS A 68 3.294 10.859 -3.968 1.00 0.00 N ATOM 1122 CA LYS A 68 2.009 10.281 -3.497 1.00 0.00 C ATOM 1123 C LYS A 68 0.885 11.306 -3.654 1.00 0.00 C ATOM 1124 O LYS A 68 -0.078 11.069 -4.341 1.00 0.00 O ATOM 1125 CB LYS A 68 2.238 9.956 -2.019 1.00 0.00 C ATOM 1126 CG LYS A 68 2.540 8.465 -1.865 1.00 0.00 C ATOM 1127 CD LYS A 68 4.044 8.232 -2.019 1.00 0.00 C ATOM 1128 CE LYS A 68 4.378 6.781 -1.666 1.00 0.00 C ATOM 1129 NZ LYS A 68 4.242 6.033 -2.947 1.00 0.00 N ATOM 0 H LYS A 68 4.101 10.661 -3.377 1.00 0.00 H new ATOM 0 HA LYS A 68 1.718 9.398 -4.066 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.067 10.548 -1.630 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.356 10.221 -1.437 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.205 8.114 -0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.994 7.893 -2.615 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.353 8.448 -3.042 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.596 8.911 -1.369 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.387 6.695 -1.264 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.698 6.392 -0.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.456 5.028 -2.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.269 6.128 -3.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.906 6.420 -3.647 1.00 0.00 H new ATOM 1143 N GLU A 69 1.005 12.439 -3.022 1.00 0.00 N ATOM 1144 CA GLU A 69 -0.063 13.481 -3.130 1.00 0.00 C ATOM 1145 C GLU A 69 -0.665 13.519 -4.543 1.00 0.00 C ATOM 1146 O GLU A 69 -1.866 13.601 -4.711 1.00 0.00 O ATOM 1147 CB GLU A 69 0.643 14.800 -2.815 1.00 0.00 C ATOM 1148 CG GLU A 69 -0.105 15.523 -1.695 1.00 0.00 C ATOM 1149 CD GLU A 69 -1.123 16.490 -2.302 1.00 0.00 C ATOM 1150 OE1 GLU A 69 -1.400 16.363 -3.484 1.00 0.00 O ATOM 1151 OE2 GLU A 69 -1.610 17.341 -1.577 1.00 0.00 O ATOM 0 H GLU A 69 1.798 12.693 -2.432 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.892 13.279 -2.452 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.674 14.611 -2.515 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.680 15.427 -3.706 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.611 14.800 -1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.599 16.067 -1.066 1.00 0.00 H new ATOM 1158 N GLU A 70 0.155 13.469 -5.557 1.00 0.00 N ATOM 1159 CA GLU A 70 -0.385 13.516 -6.952 1.00 0.00 C ATOM 1160 C GLU A 70 -1.035 12.179 -7.344 1.00 0.00 C ATOM 1161 O GLU A 70 -2.236 12.093 -7.556 1.00 0.00 O ATOM 1162 CB GLU A 70 0.833 13.797 -7.834 1.00 0.00 C ATOM 1163 CG GLU A 70 0.369 14.133 -9.252 1.00 0.00 C ATOM 1164 CD GLU A 70 0.046 12.840 -10.003 1.00 0.00 C ATOM 1165 OE1 GLU A 70 0.969 12.227 -10.512 1.00 0.00 O ATOM 1166 OE2 GLU A 70 -1.120 12.484 -10.054 1.00 0.00 O ATOM 0 H GLU A 70 1.170 13.398 -5.484 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.161 14.274 -7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.410 14.625 -7.423 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.491 12.928 -7.851 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.511 14.775 -9.216 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.146 14.688 -9.778 1.00 0.00 H new ATOM 1173 N MET A 71 -0.253 11.139 -7.449 1.00 0.00 N ATOM 1174 CA MET A 71 -0.821 9.815 -7.835 1.00 0.00 C ATOM 1175 C MET A 71 -1.988 9.465 -6.913 1.00 0.00 C ATOM 1176 O MET A 71 -3.011 8.972 -7.344 1.00 0.00 O ATOM 1177 CB MET A 71 0.326 8.821 -7.647 1.00 0.00 C ATOM 1178 CG MET A 71 1.482 9.192 -8.577 1.00 0.00 C ATOM 1179 SD MET A 71 2.218 7.685 -9.257 1.00 0.00 S ATOM 1180 CE MET A 71 3.018 8.450 -10.689 1.00 0.00 C ATOM 0 H MET A 71 0.754 11.148 -7.284 1.00 0.00 H new ATOM 0 HA MET A 71 -1.202 9.806 -8.856 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.662 8.830 -6.610 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.017 7.809 -7.862 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.123 9.830 -9.384 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.234 9.762 -8.031 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.543 7.687 -11.264 1.00 0.00 H new ATOM 0 HE2 MET A 71 2.264 8.923 -11.318 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.730 9.202 -10.349 1.00 0.00 H new ATOM 1190 N LEU A 72 -1.843 9.731 -5.647 1.00 0.00 N ATOM 1191 CA LEU A 72 -2.942 9.432 -4.691 1.00 0.00 C ATOM 1192 C LEU A 72 -4.137 10.330 -4.988 1.00 0.00 C ATOM 1193 O LEU A 72 -5.244 10.021 -4.632 1.00 0.00 O ATOM 1194 CB LEU A 72 -2.386 9.726 -3.296 1.00 0.00 C ATOM 1195 CG LEU A 72 -1.505 8.564 -2.822 1.00 0.00 C ATOM 1196 CD1 LEU A 72 -2.392 7.398 -2.381 1.00 0.00 C ATOM 1197 CD2 LEU A 72 -0.592 8.102 -3.962 1.00 0.00 C ATOM 0 H LEU A 72 -1.008 10.144 -5.232 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.277 8.398 -4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.805 10.648 -3.315 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.206 9.880 -2.595 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.894 8.899 -1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.766 6.572 -2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.038 7.721 -1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.005 7.070 -3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.031 7.276 -3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.200 7.771 -4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.044 8.929 -4.277 1.00 0.00 H new ATOM 1209 N LYS A 73 -3.923 11.446 -5.633 1.00 0.00 N ATOM 1210 CA LYS A 73 -5.069 12.351 -5.946 1.00 0.00 C ATOM 1211 C LYS A 73 -6.017 11.662 -6.938 1.00 0.00 C ATOM 1212 O LYS A 73 -7.202 11.509 -6.689 1.00 0.00 O ATOM 1213 CB LYS A 73 -4.440 13.592 -6.578 1.00 0.00 C ATOM 1214 CG LYS A 73 -5.498 14.689 -6.702 1.00 0.00 C ATOM 1215 CD LYS A 73 -6.413 14.381 -7.889 1.00 0.00 C ATOM 1216 CE LYS A 73 -6.904 15.690 -8.509 1.00 0.00 C ATOM 1217 NZ LYS A 73 -7.977 16.169 -7.596 1.00 0.00 N ATOM 0 H LYS A 73 -3.011 11.769 -5.955 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.653 12.604 -5.061 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.607 13.942 -5.968 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.036 13.348 -7.560 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.083 14.751 -5.784 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.018 15.658 -6.840 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.875 13.793 -8.633 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.262 13.781 -7.561 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.096 16.418 -8.585 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.286 15.530 -9.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.876 16.227 -8.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.079 15.505 -6.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.728 17.110 -7.231 1.00 0.00 H new ATOM 1231 N LYS A 74 -5.510 11.232 -8.060 1.00 0.00 N ATOM 1232 CA LYS A 74 -6.399 10.543 -9.040 1.00 0.00 C ATOM 1233 C LYS A 74 -7.032 9.321 -8.368 1.00 0.00 C ATOM 1234 O LYS A 74 -8.241 9.152 -8.347 1.00 0.00 O ATOM 1235 CB LYS A 74 -5.478 10.113 -10.183 1.00 0.00 C ATOM 1236 CG LYS A 74 -6.214 10.266 -11.515 1.00 0.00 C ATOM 1237 CD LYS A 74 -5.351 11.074 -12.486 1.00 0.00 C ATOM 1238 CE LYS A 74 -6.258 11.914 -13.389 1.00 0.00 C ATOM 1239 NZ LYS A 74 -5.347 12.885 -14.057 1.00 0.00 N ATOM 0 H LYS A 74 -4.533 11.325 -8.339 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.208 11.179 -9.399 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.573 10.721 -10.183 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.167 9.078 -10.044 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.433 9.285 -11.936 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.170 10.766 -11.359 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.669 11.720 -11.933 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.737 10.405 -13.089 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.774 11.291 -14.119 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.025 12.427 -12.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.898 13.496 -14.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.875 13.469 -13.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.632 12.368 -14.607 1.00 0.00 H new ATOM 1253 N PHE A 75 -6.217 8.473 -7.805 1.00 0.00 N ATOM 1254 CA PHE A 75 -6.754 7.268 -7.120 1.00 0.00 C ATOM 1255 C PHE A 75 -7.557 7.688 -5.889 1.00 0.00 C ATOM 1256 O PHE A 75 -8.486 7.024 -5.486 1.00 0.00 O ATOM 1257 CB PHE A 75 -5.520 6.466 -6.711 1.00 0.00 C ATOM 1258 CG PHE A 75 -5.204 5.453 -7.786 1.00 0.00 C ATOM 1259 CD1 PHE A 75 -4.945 5.882 -9.095 1.00 0.00 C ATOM 1260 CD2 PHE A 75 -5.171 4.087 -7.478 1.00 0.00 C ATOM 1261 CE1 PHE A 75 -4.652 4.946 -10.093 1.00 0.00 C ATOM 1262 CE2 PHE A 75 -4.877 3.151 -8.477 1.00 0.00 C ATOM 1263 CZ PHE A 75 -4.618 3.581 -9.784 1.00 0.00 C ATOM 0 H PHE A 75 -5.201 8.564 -7.791 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.422 6.687 -7.755 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -4.671 7.133 -6.563 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.698 5.962 -5.761 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.972 6.935 -9.333 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.372 3.756 -6.470 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.452 5.277 -11.102 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.850 2.098 -8.239 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.392 2.859 -10.555 1.00 0.00 H new ATOM 1273 N ARG A 76 -7.217 8.795 -5.290 1.00 0.00 N ATOM 1274 CA ARG A 76 -7.982 9.242 -4.093 1.00 0.00 C ATOM 1275 C ARG A 76 -9.466 9.139 -4.417 1.00 0.00 C ATOM 1276 O ARG A 76 -10.220 8.514 -3.711 1.00 0.00 O ATOM 1277 CB ARG A 76 -7.537 10.692 -3.829 1.00 0.00 C ATOM 1278 CG ARG A 76 -8.702 11.556 -3.327 1.00 0.00 C ATOM 1279 CD ARG A 76 -9.179 12.463 -4.463 1.00 0.00 C ATOM 1280 NE ARG A 76 -10.101 13.440 -3.818 1.00 0.00 N ATOM 1281 CZ ARG A 76 -10.049 14.700 -4.151 1.00 0.00 C ATOM 1282 NH1 ARG A 76 -10.498 15.086 -5.314 1.00 0.00 N ATOM 1283 NH2 ARG A 76 -9.545 15.573 -3.323 1.00 0.00 N ATOM 0 H ARG A 76 -6.450 9.405 -5.574 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.801 8.638 -3.204 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.734 10.699 -3.092 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -7.132 11.122 -4.745 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.519 10.922 -2.984 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.385 12.157 -2.475 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.341 12.969 -4.942 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -9.690 11.890 -5.237 1.00 0.00 H new ATOM 0 HE ARG A 76 -10.772 13.124 -3.117 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.889 14.402 -5.962 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -10.458 16.071 -5.575 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.192 15.270 -2.415 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -9.504 16.558 -3.583 1.00 0.00 H new ATOM 1297 N ASN A 77 -9.891 9.727 -5.493 1.00 0.00 N ATOM 1298 CA ASN A 77 -11.332 9.624 -5.847 1.00 0.00 C ATOM 1299 C ASN A 77 -11.687 8.161 -6.145 1.00 0.00 C ATOM 1300 O ASN A 77 -12.537 7.568 -5.503 1.00 0.00 O ATOM 1301 CB ASN A 77 -11.499 10.487 -7.098 1.00 0.00 C ATOM 1302 CG ASN A 77 -12.168 11.811 -6.723 1.00 0.00 C ATOM 1303 OD1 ASN A 77 -12.037 12.280 -5.511 1.00 0.00 O flip ATOM 1304 ND2 ASN A 77 -12.819 12.428 -7.543 1.00 0.00 N flip ATOM 0 H ASN A 77 -9.314 10.268 -6.137 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.986 9.957 -5.041 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.527 10.675 -7.554 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -12.102 9.960 -7.838 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -12.923 12.064 -8.490 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -13.261 13.310 -7.284 1.00 0.00 H new ATOM 1311 N ALA A 78 -11.043 7.577 -7.119 1.00 0.00 N ATOM 1312 CA ALA A 78 -11.349 6.157 -7.472 1.00 0.00 C ATOM 1313 C ALA A 78 -10.846 5.188 -6.394 1.00 0.00 C ATOM 1314 O ALA A 78 -11.619 4.596 -5.665 1.00 0.00 O ATOM 1315 CB ALA A 78 -10.608 5.917 -8.786 1.00 0.00 C ATOM 0 H ALA A 78 -10.319 8.019 -7.686 1.00 0.00 H new ATOM 0 HA ALA A 78 -12.422 5.987 -7.555 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.779 4.893 -9.119 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.975 6.611 -9.543 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.540 6.076 -8.636 1.00 0.00 H new ATOM 1321 N MET A 79 -9.555 5.013 -6.304 1.00 0.00 N ATOM 1322 CA MET A 79 -8.983 4.074 -5.293 1.00 0.00 C ATOM 1323 C MET A 79 -9.760 4.124 -3.975 1.00 0.00 C ATOM 1324 O MET A 79 -10.271 3.123 -3.516 1.00 0.00 O ATOM 1325 CB MET A 79 -7.546 4.549 -5.083 1.00 0.00 C ATOM 1326 CG MET A 79 -6.752 3.470 -4.346 1.00 0.00 C ATOM 1327 SD MET A 79 -5.133 4.127 -3.874 1.00 0.00 S ATOM 1328 CE MET A 79 -5.733 5.583 -2.980 1.00 0.00 C ATOM 0 H MET A 79 -8.866 5.483 -6.891 1.00 0.00 H new ATOM 0 HA MET A 79 -9.036 3.040 -5.635 1.00 0.00 H new ATOM 0 HB2 MET A 79 -7.080 4.765 -6.044 1.00 0.00 H new ATOM 0 HB3 MET A 79 -7.539 5.476 -4.509 1.00 0.00 H new ATOM 0 HG2 MET A 79 -7.297 3.145 -3.460 1.00 0.00 H new ATOM 0 HG3 MET A 79 -6.629 2.595 -4.984 1.00 0.00 H new ATOM 0 HE1 MET A 79 -5.088 5.775 -2.122 1.00 0.00 H new ATOM 0 HE2 MET A 79 -5.721 6.448 -3.643 1.00 0.00 H new ATOM 0 HE3 MET A 79 -6.752 5.404 -2.635 1.00 0.00 H new ATOM 1338 N LEU A 80 -9.855 5.266 -3.351 1.00 0.00 N ATOM 1339 CA LEU A 80 -10.599 5.328 -2.059 1.00 0.00 C ATOM 1340 C LEU A 80 -11.962 4.665 -2.214 1.00 0.00 C ATOM 1341 O LEU A 80 -12.354 3.855 -1.400 1.00 0.00 O ATOM 1342 CB LEU A 80 -10.750 6.807 -1.731 1.00 0.00 C ATOM 1343 CG LEU A 80 -9.360 7.426 -1.585 1.00 0.00 C ATOM 1344 CD1 LEU A 80 -9.493 8.898 -1.195 1.00 0.00 C ATOM 1345 CD2 LEU A 80 -8.584 6.679 -0.500 1.00 0.00 C ATOM 0 H LEU A 80 -9.456 6.148 -3.673 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.074 4.803 -1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.307 7.313 -2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -11.317 6.933 -0.809 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.827 7.350 -2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.501 9.338 -1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.047 9.431 -1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.026 8.977 -0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.592 7.119 -0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.118 6.755 0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.488 5.630 -0.779 1.00 0.00 H new ATOM 1357 N LYS A 81 -12.687 4.988 -3.254 1.00 0.00 N ATOM 1358 CA LYS A 81 -14.018 4.342 -3.439 1.00 0.00 C ATOM 1359 C LYS A 81 -13.896 2.843 -3.146 1.00 0.00 C ATOM 1360 O LYS A 81 -14.559 2.311 -2.275 1.00 0.00 O ATOM 1361 CB LYS A 81 -14.382 4.581 -4.903 1.00 0.00 C ATOM 1362 CG LYS A 81 -15.826 5.080 -4.992 1.00 0.00 C ATOM 1363 CD LYS A 81 -15.848 6.475 -5.619 1.00 0.00 C ATOM 1364 CE LYS A 81 -15.292 7.496 -4.622 1.00 0.00 C ATOM 1365 NZ LYS A 81 -14.927 8.679 -5.448 1.00 0.00 N ATOM 0 H LYS A 81 -12.419 5.661 -3.972 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.780 4.745 -2.772 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.705 5.313 -5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -14.268 3.659 -5.473 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -16.423 4.392 -5.590 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.273 5.110 -3.998 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.254 6.483 -6.533 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -16.867 6.743 -5.899 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.034 7.755 -3.867 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.425 7.100 -4.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.350 9.535 -5.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.892 8.781 -5.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.283 8.549 -6.416 1.00 0.00 H new ATOM 1379 N SER A 82 -13.036 2.164 -3.855 1.00 0.00 N ATOM 1380 CA SER A 82 -12.855 0.704 -3.609 1.00 0.00 C ATOM 1381 C SER A 82 -12.040 0.485 -2.328 1.00 0.00 C ATOM 1382 O SER A 82 -12.517 -0.092 -1.370 1.00 0.00 O ATOM 1383 CB SER A 82 -12.089 0.189 -4.827 1.00 0.00 C ATOM 1384 OG SER A 82 -10.932 0.988 -5.027 1.00 0.00 O ATOM 0 H SER A 82 -12.451 2.556 -4.593 1.00 0.00 H new ATOM 0 HA SER A 82 -13.804 0.184 -3.477 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.804 -0.853 -4.678 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.725 0.222 -5.712 1.00 0.00 H new ATOM 0 HG SER A 82 -10.438 0.659 -5.807 1.00 0.00 H new ATOM 1390 N ILE A 83 -10.816 0.944 -2.305 1.00 0.00 N ATOM 1391 CA ILE A 83 -9.967 0.766 -1.088 1.00 0.00 C ATOM 1392 C ILE A 83 -10.797 1.038 0.172 1.00 0.00 C ATOM 1393 O ILE A 83 -11.025 0.156 0.975 1.00 0.00 O ATOM 1394 CB ILE A 83 -8.830 1.788 -1.244 1.00 0.00 C ATOM 1395 CG1 ILE A 83 -7.684 1.157 -2.040 1.00 0.00 C ATOM 1396 CG2 ILE A 83 -8.302 2.211 0.131 1.00 0.00 C ATOM 1397 CD1 ILE A 83 -8.139 0.888 -3.474 1.00 0.00 C ATOM 0 H ILE A 83 -10.366 1.435 -3.077 1.00 0.00 H new ATOM 0 HA ILE A 83 -9.578 -0.247 -0.989 1.00 0.00 H new ATOM 0 HB ILE A 83 -9.216 2.663 -1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.820 1.822 -2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -7.370 0.226 -1.568 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.497 2.935 0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -9.109 2.663 0.708 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.924 1.336 0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.321 0.439 -4.037 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -8.990 0.206 -3.464 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.432 1.826 -3.945 1.00 0.00 H new ATOM 1409 N CYS A 84 -11.253 2.250 0.353 1.00 0.00 N ATOM 1410 CA CYS A 84 -12.067 2.557 1.564 1.00 0.00 C ATOM 1411 C CYS A 84 -13.089 1.444 1.785 1.00 0.00 C ATOM 1412 O CYS A 84 -13.247 0.945 2.882 1.00 0.00 O ATOM 1413 CB CYS A 84 -12.768 3.881 1.261 1.00 0.00 C ATOM 1414 SG CYS A 84 -11.525 5.158 0.947 1.00 0.00 S ATOM 0 H CYS A 84 -11.098 3.034 -0.280 1.00 0.00 H new ATOM 0 HA CYS A 84 -11.460 2.628 2.467 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -13.420 3.771 0.394 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -13.400 4.171 2.100 1.00 0.00 H new ATOM 0 HG CYS A 84 -12.060 6.332 1.106 1.00 0.00 H new ATOM 1420 N GLU A 85 -13.774 1.038 0.751 1.00 0.00 N ATOM 1421 CA GLU A 85 -14.767 -0.057 0.915 1.00 0.00 C ATOM 1422 C GLU A 85 -14.146 -1.184 1.744 1.00 0.00 C ATOM 1423 O GLU A 85 -14.817 -1.856 2.502 1.00 0.00 O ATOM 1424 CB GLU A 85 -15.071 -0.538 -0.505 1.00 0.00 C ATOM 1425 CG GLU A 85 -16.531 -0.985 -0.591 1.00 0.00 C ATOM 1426 CD GLU A 85 -16.756 -1.739 -1.902 1.00 0.00 C ATOM 1427 OE1 GLU A 85 -16.267 -1.276 -2.919 1.00 0.00 O ATOM 1428 OE2 GLU A 85 -17.413 -2.767 -1.867 1.00 0.00 O ATOM 0 H GLU A 85 -13.689 1.415 -0.193 1.00 0.00 H new ATOM 0 HA GLU A 85 -15.672 0.268 1.429 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.882 0.263 -1.220 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.411 -1.364 -0.770 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.777 -1.625 0.256 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -17.191 -0.119 -0.539 1.00 0.00 H new ATOM 1435 N VAL A 86 -12.860 -1.387 1.611 1.00 0.00 N ATOM 1436 CA VAL A 86 -12.187 -2.462 2.397 1.00 0.00 C ATOM 1437 C VAL A 86 -10.768 -2.034 2.768 1.00 0.00 C ATOM 1438 O VAL A 86 -9.796 -2.654 2.385 1.00 0.00 O ATOM 1439 CB VAL A 86 -12.162 -3.682 1.476 1.00 0.00 C ATOM 1440 CG1 VAL A 86 -11.655 -4.896 2.255 1.00 0.00 C ATOM 1441 CG2 VAL A 86 -13.575 -3.961 0.962 1.00 0.00 C ATOM 0 H VAL A 86 -12.248 -0.855 0.992 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.707 -2.675 3.331 1.00 0.00 H new ATOM 0 HB VAL A 86 -11.500 -3.488 0.632 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -11.637 -5.767 1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -10.648 -4.698 2.623 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -12.318 -5.090 3.098 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -13.558 -4.831 0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -14.237 -4.156 1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -13.938 -3.095 0.408 1.00 0.00 H new ATOM 1451 N LEU A 87 -10.649 -0.979 3.520 1.00 0.00 N ATOM 1452 CA LEU A 87 -9.306 -0.496 3.937 1.00 0.00 C ATOM 1453 C LEU A 87 -9.425 0.200 5.292 1.00 0.00 C ATOM 1454 O LEU A 87 -8.808 1.217 5.539 1.00 0.00 O ATOM 1455 CB LEU A 87 -8.892 0.502 2.856 1.00 0.00 C ATOM 1456 CG LEU A 87 -7.436 0.922 3.076 1.00 0.00 C ATOM 1457 CD1 LEU A 87 -6.535 0.214 2.060 1.00 0.00 C ATOM 1458 CD2 LEU A 87 -7.309 2.438 2.898 1.00 0.00 C ATOM 0 H LEU A 87 -11.432 -0.425 3.867 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.577 -1.300 4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.007 0.053 1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.542 1.377 2.886 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.130 0.645 4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.500 0.515 2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.622 -0.865 2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.841 0.487 1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.273 2.737 3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.618 2.713 1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.946 2.944 3.623 1.00 0.00 H new ATOM 1470 N ASP A 88 -10.232 -0.338 6.166 1.00 0.00 N ATOM 1471 CA ASP A 88 -10.413 0.295 7.499 1.00 0.00 C ATOM 1472 C ASP A 88 -11.067 1.666 7.323 1.00 0.00 C ATOM 1473 O ASP A 88 -10.998 2.515 8.188 1.00 0.00 O ATOM 1474 CB ASP A 88 -9.002 0.438 8.071 1.00 0.00 C ATOM 1475 CG ASP A 88 -9.083 0.636 9.586 1.00 0.00 C ATOM 1476 OD1 ASP A 88 -9.099 -0.357 10.294 1.00 0.00 O ATOM 1477 OD2 ASP A 88 -9.130 1.779 10.012 1.00 0.00 O ATOM 0 H ASP A 88 -10.773 -1.189 6.012 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.052 -0.290 8.160 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.413 -0.450 7.841 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.495 1.285 7.609 1.00 0.00 H new ATOM 1482 N LEU A 89 -11.694 1.889 6.200 1.00 0.00 N ATOM 1483 CA LEU A 89 -12.346 3.209 5.959 1.00 0.00 C ATOM 1484 C LEU A 89 -13.834 3.027 5.645 1.00 0.00 C ATOM 1485 O LEU A 89 -14.325 1.923 5.527 1.00 0.00 O ATOM 1486 CB LEU A 89 -11.612 3.787 4.749 1.00 0.00 C ATOM 1487 CG LEU A 89 -10.811 5.018 5.176 1.00 0.00 C ATOM 1488 CD1 LEU A 89 -11.765 6.186 5.432 1.00 0.00 C ATOM 1489 CD2 LEU A 89 -10.033 4.704 6.458 1.00 0.00 C ATOM 0 H LEU A 89 -11.783 1.215 5.439 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.289 3.862 6.830 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.946 3.037 4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -12.327 4.057 3.972 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.112 5.287 4.384 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.193 7.063 5.736 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.317 6.411 4.520 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.465 5.917 6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.462 5.582 6.762 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.731 4.433 7.250 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.351 3.873 6.276 1.00 0.00 H new ATOM 1501 N GLU A 90 -14.552 4.110 5.508 1.00 0.00 N ATOM 1502 CA GLU A 90 -16.009 4.010 5.201 1.00 0.00 C ATOM 1503 C GLU A 90 -16.470 5.252 4.431 1.00 0.00 C ATOM 1504 O GLU A 90 -17.478 5.851 4.747 1.00 0.00 O ATOM 1505 CB GLU A 90 -16.695 3.940 6.566 1.00 0.00 C ATOM 1506 CG GLU A 90 -18.034 3.211 6.429 1.00 0.00 C ATOM 1507 CD GLU A 90 -18.154 2.155 7.530 1.00 0.00 C ATOM 1508 OE1 GLU A 90 -18.457 2.529 8.651 1.00 0.00 O ATOM 1509 OE2 GLU A 90 -17.943 0.991 7.233 1.00 0.00 O ATOM 0 H GLU A 90 -14.192 5.060 5.595 1.00 0.00 H new ATOM 0 HA GLU A 90 -16.245 3.145 4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -16.057 3.419 7.279 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -16.855 4.945 6.956 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -18.857 3.922 6.501 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -18.105 2.740 5.449 1.00 0.00 H new ATOM 1516 N ARG A 91 -15.739 5.642 3.422 1.00 0.00 N ATOM 1517 CA ARG A 91 -16.136 6.845 2.633 1.00 0.00 C ATOM 1518 C ARG A 91 -16.067 8.099 3.510 1.00 0.00 C ATOM 1519 O ARG A 91 -16.081 8.020 4.723 1.00 0.00 O ATOM 1520 CB ARG A 91 -17.577 6.573 2.198 1.00 0.00 C ATOM 1521 CG ARG A 91 -17.682 6.688 0.675 1.00 0.00 C ATOM 1522 CD ARG A 91 -19.031 6.130 0.215 1.00 0.00 C ATOM 1523 NE ARG A 91 -19.082 4.746 0.763 1.00 0.00 N ATOM 1524 CZ ARG A 91 -18.249 3.840 0.328 1.00 0.00 C ATOM 1525 NH1 ARG A 91 -17.835 3.874 -0.909 1.00 0.00 N ATOM 1526 NH2 ARG A 91 -17.830 2.902 1.131 1.00 0.00 N ATOM 0 H ARG A 91 -14.885 5.181 3.110 1.00 0.00 H new ATOM 0 HA ARG A 91 -15.478 7.017 1.781 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -17.883 5.578 2.520 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -18.252 7.284 2.674 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -17.584 7.730 0.370 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -16.868 6.139 0.201 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -19.857 6.734 0.591 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -19.107 6.127 -0.872 1.00 0.00 H new ATOM 0 HE ARG A 91 -19.768 4.506 1.479 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -18.162 4.609 -1.536 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -17.184 3.166 -1.249 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -18.153 2.877 2.098 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -17.179 2.194 0.792 1.00 0.00 H new ATOM 1540 N SER A 92 -15.993 9.255 2.906 1.00 0.00 N ATOM 1541 CA SER A 92 -15.925 10.511 3.708 1.00 0.00 C ATOM 1542 C SER A 92 -17.013 11.489 3.255 1.00 0.00 C ATOM 1543 O SER A 92 -18.125 11.462 3.743 1.00 0.00 O ATOM 1544 CB SER A 92 -14.535 11.083 3.431 1.00 0.00 C ATOM 1545 OG SER A 92 -14.447 11.460 2.063 1.00 0.00 O ATOM 0 H SER A 92 -15.977 9.384 1.894 1.00 0.00 H new ATOM 0 HA SER A 92 -16.086 10.332 4.771 1.00 0.00 H new ATOM 0 HB2 SER A 92 -14.350 11.946 4.071 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.771 10.342 3.666 1.00 0.00 H new ATOM 0 HG SER A 92 -13.827 12.214 1.971 1.00 0.00 H new ATOM 1551 N GLY A 93 -16.705 12.354 2.326 1.00 0.00 N ATOM 1552 CA GLY A 93 -17.727 13.328 1.850 1.00 0.00 C ATOM 1553 C GLY A 93 -17.035 14.511 1.170 1.00 0.00 C ATOM 1554 O GLY A 93 -17.508 15.036 0.182 1.00 0.00 O ATOM 0 H GLY A 93 -15.792 12.428 1.878 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -18.408 12.842 1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -18.327 13.679 2.689 1.00 0.00 H new ATOM 1558 N VAL A 94 -15.917 14.937 1.692 1.00 0.00 N ATOM 1559 CA VAL A 94 -15.197 16.087 1.072 1.00 0.00 C ATOM 1560 C VAL A 94 -13.971 15.587 0.304 1.00 0.00 C ATOM 1561 O VAL A 94 -13.049 15.040 0.875 1.00 0.00 O ATOM 1562 CB VAL A 94 -14.773 16.971 2.244 1.00 0.00 C ATOM 1563 CG1 VAL A 94 -14.320 18.334 1.718 1.00 0.00 C ATOM 1564 CG2 VAL A 94 -15.958 17.161 3.195 1.00 0.00 C ATOM 0 H VAL A 94 -15.471 14.540 2.519 1.00 0.00 H new ATOM 0 HA VAL A 94 -15.820 16.629 0.360 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.950 16.495 2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -14.018 18.964 2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.477 18.201 1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -15.143 18.810 1.184 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -15.656 17.792 4.031 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -16.781 17.636 2.661 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -16.282 16.191 3.571 1.00 0.00 H new ATOM 1574 N ASN A 95 -13.954 15.769 -0.988 1.00 0.00 N ATOM 1575 CA ASN A 95 -12.788 15.301 -1.791 1.00 0.00 C ATOM 1576 C ASN A 95 -11.478 15.703 -1.103 1.00 0.00 C ATOM 1577 O ASN A 95 -10.539 14.933 -1.034 1.00 0.00 O ATOM 1578 CB ASN A 95 -12.929 16.004 -3.141 1.00 0.00 C ATOM 1579 CG ASN A 95 -14.318 15.723 -3.721 1.00 0.00 C ATOM 1580 OD1 ASN A 95 -15.313 16.182 -3.196 1.00 0.00 O ATOM 1581 ND2 ASN A 95 -14.428 14.982 -4.790 1.00 0.00 N ATOM 0 H ASN A 95 -14.696 16.221 -1.522 1.00 0.00 H new ATOM 0 HA ASN A 95 -12.767 14.217 -1.900 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -12.784 17.078 -3.021 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -12.159 15.653 -3.828 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -15.349 14.789 -5.184 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -13.593 14.596 -5.231 1.00 0.00 H new ATOM 1588 N SER A 96 -11.412 16.901 -0.591 1.00 0.00 N ATOM 1589 CA SER A 96 -10.167 17.352 0.095 1.00 0.00 C ATOM 1590 C SER A 96 -9.795 16.367 1.208 1.00 0.00 C ATOM 1591 O SER A 96 -8.638 16.058 1.418 1.00 0.00 O ATOM 1592 CB SER A 96 -10.515 18.720 0.680 1.00 0.00 C ATOM 1593 OG SER A 96 -9.339 19.517 0.743 1.00 0.00 O ATOM 0 H SER A 96 -12.166 17.588 -0.618 1.00 0.00 H new ATOM 0 HA SER A 96 -9.314 17.404 -0.581 1.00 0.00 H new ATOM 0 HB2 SER A 96 -11.268 19.211 0.064 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.944 18.604 1.676 1.00 0.00 H new ATOM 0 HG SER A 96 -9.559 20.396 1.116 1.00 0.00 H new ATOM 1599 N GLU A 97 -10.769 15.873 1.923 1.00 0.00 N ATOM 1600 CA GLU A 97 -10.475 14.909 3.022 1.00 0.00 C ATOM 1601 C GLU A 97 -10.000 13.574 2.442 1.00 0.00 C ATOM 1602 O GLU A 97 -9.321 12.809 3.098 1.00 0.00 O ATOM 1603 CB GLU A 97 -11.802 14.734 3.761 1.00 0.00 C ATOM 1604 CG GLU A 97 -12.210 16.062 4.400 1.00 0.00 C ATOM 1605 CD GLU A 97 -11.202 16.434 5.489 1.00 0.00 C ATOM 1606 OE1 GLU A 97 -10.105 16.841 5.141 1.00 0.00 O ATOM 1607 OE2 GLU A 97 -11.544 16.305 6.653 1.00 0.00 O ATOM 0 H GLU A 97 -11.756 16.095 1.794 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.685 15.265 3.684 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -12.574 14.399 3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -11.705 13.965 4.527 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -12.250 16.845 3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -13.210 15.981 4.827 1.00 0.00 H new ATOM 1614 N LEU A 98 -10.348 13.289 1.217 1.00 0.00 N ATOM 1615 CA LEU A 98 -9.909 12.005 0.600 1.00 0.00 C ATOM 1616 C LEU A 98 -8.398 12.035 0.370 1.00 0.00 C ATOM 1617 O LEU A 98 -7.658 11.248 0.927 1.00 0.00 O ATOM 1618 CB LEU A 98 -10.660 11.921 -0.728 1.00 0.00 C ATOM 1619 CG LEU A 98 -12.147 11.687 -0.459 1.00 0.00 C ATOM 1620 CD1 LEU A 98 -12.873 11.439 -1.782 1.00 0.00 C ATOM 1621 CD2 LEU A 98 -12.312 10.466 0.450 1.00 0.00 C ATOM 0 H LEU A 98 -10.916 13.888 0.618 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.120 11.143 1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.523 12.842 -1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.257 11.110 -1.335 1.00 0.00 H new ATOM 0 HG LEU A 98 -12.571 12.565 0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -13.933 11.272 -1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -12.754 12.307 -2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.450 10.561 -2.270 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -13.371 10.297 0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.888 9.589 -0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.795 10.642 1.393 1.00 0.00 H new ATOM 1633 N VAL A 99 -7.928 12.946 -0.439 1.00 0.00 N ATOM 1634 CA VAL A 99 -6.460 13.022 -0.681 1.00 0.00 C ATOM 1635 C VAL A 99 -5.732 13.057 0.665 1.00 0.00 C ATOM 1636 O VAL A 99 -4.966 12.172 0.991 1.00 0.00 O ATOM 1637 CB VAL A 99 -6.246 14.323 -1.455 1.00 0.00 C ATOM 1638 CG1 VAL A 99 -4.788 14.771 -1.321 1.00 0.00 C ATOM 1639 CG2 VAL A 99 -6.567 14.090 -2.934 1.00 0.00 C ATOM 0 H VAL A 99 -8.491 13.634 -0.938 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.076 12.167 -1.237 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.901 15.095 -1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.640 15.698 -1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.553 14.934 -0.269 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.132 14.000 -1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.416 15.016 -3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.910 13.317 -3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.605 13.772 -3.035 1.00 0.00 H new ATOM 1649 N LYS A 100 -5.976 14.065 1.458 1.00 0.00 N ATOM 1650 CA LYS A 100 -5.306 14.140 2.787 1.00 0.00 C ATOM 1651 C LYS A 100 -5.342 12.763 3.452 1.00 0.00 C ATOM 1652 O LYS A 100 -4.484 12.417 4.240 1.00 0.00 O ATOM 1653 CB LYS A 100 -6.125 15.151 3.591 1.00 0.00 C ATOM 1654 CG LYS A 100 -5.823 14.988 5.083 1.00 0.00 C ATOM 1655 CD LYS A 100 -6.093 16.308 5.807 1.00 0.00 C ATOM 1656 CE LYS A 100 -6.116 16.066 7.317 1.00 0.00 C ATOM 1657 NZ LYS A 100 -7.458 16.536 7.760 1.00 0.00 N ATOM 0 H LYS A 100 -6.608 14.837 1.244 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.261 14.440 2.716 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.886 16.165 3.270 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.189 15.001 3.407 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.442 14.196 5.505 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.784 14.690 5.224 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.322 17.037 5.556 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.045 16.726 5.480 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.970 15.011 7.550 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.319 16.617 7.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.551 16.403 8.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.566 17.545 7.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.196 15.989 7.272 1.00 0.00 H new ATOM 1671 N ARG A 101 -6.330 11.974 3.130 1.00 0.00 N ATOM 1672 CA ARG A 101 -6.427 10.613 3.731 1.00 0.00 C ATOM 1673 C ARG A 101 -5.231 9.767 3.292 1.00 0.00 C ATOM 1674 O ARG A 101 -4.652 9.043 4.076 1.00 0.00 O ATOM 1675 CB ARG A 101 -7.730 10.027 3.185 1.00 0.00 C ATOM 1676 CG ARG A 101 -8.266 8.974 4.157 1.00 0.00 C ATOM 1677 CD ARG A 101 -8.935 9.668 5.345 1.00 0.00 C ATOM 1678 NE ARG A 101 -9.360 8.564 6.250 1.00 0.00 N ATOM 1679 CZ ARG A 101 -9.728 8.829 7.475 1.00 0.00 C ATOM 1680 NH1 ARG A 101 -10.922 9.300 7.709 1.00 0.00 N ATOM 1681 NH2 ARG A 101 -8.902 8.624 8.464 1.00 0.00 N ATOM 0 H ARG A 101 -7.075 12.213 2.476 1.00 0.00 H new ATOM 0 HA ARG A 101 -6.422 10.637 4.821 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -8.467 10.818 3.048 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -7.557 9.579 2.207 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -8.982 8.327 3.650 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -7.452 8.338 4.505 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -8.243 10.345 5.847 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -9.788 10.265 5.023 1.00 0.00 H new ATOM 0 HE ARG A 101 -9.364 7.601 5.913 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -11.567 9.461 6.936 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -11.210 9.507 8.665 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -7.968 8.257 8.281 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -9.190 8.831 9.420 1.00 0.00 H new ATOM 1695 N ILE A 102 -4.850 9.855 2.045 1.00 0.00 N ATOM 1696 CA ILE A 102 -3.683 9.051 1.576 1.00 0.00 C ATOM 1697 C ILE A 102 -2.412 9.542 2.273 1.00 0.00 C ATOM 1698 O ILE A 102 -1.504 8.778 2.538 1.00 0.00 O ATOM 1699 CB ILE A 102 -3.597 9.268 0.058 1.00 0.00 C ATOM 1700 CG1 ILE A 102 -2.919 10.607 -0.238 1.00 0.00 C ATOM 1701 CG2 ILE A 102 -5.001 9.264 -0.548 1.00 0.00 C ATOM 1702 CD1 ILE A 102 -1.401 10.413 -0.288 1.00 0.00 C ATOM 0 H ILE A 102 -5.291 10.442 1.337 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.794 7.992 1.808 1.00 0.00 H new ATOM 0 HB ILE A 102 -3.011 8.461 -0.382 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.277 11.005 -1.188 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.178 11.335 0.531 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -4.933 9.418 -1.625 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.481 8.306 -0.348 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.592 10.065 -0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.919 11.368 -0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -1.051 10.034 0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -1.151 9.699 -1.073 1.00 0.00 H new ATOM 1714 N LEU A 103 -2.345 10.808 2.584 1.00 0.00 N ATOM 1715 CA LEU A 103 -1.137 11.341 3.275 1.00 0.00 C ATOM 1716 C LEU A 103 -1.167 10.933 4.748 1.00 0.00 C ATOM 1717 O LEU A 103 -0.147 10.847 5.401 1.00 0.00 O ATOM 1718 CB LEU A 103 -1.228 12.860 3.132 1.00 0.00 C ATOM 1719 CG LEU A 103 -1.346 13.225 1.651 1.00 0.00 C ATOM 1720 CD1 LEU A 103 -1.888 14.648 1.516 1.00 0.00 C ATOM 1721 CD2 LEU A 103 0.031 13.133 0.988 1.00 0.00 C ATOM 0 H LEU A 103 -3.073 11.495 2.390 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.209 10.956 2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.091 13.237 3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.345 13.331 3.565 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.029 12.531 1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.972 14.907 0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.871 14.709 1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.209 15.344 2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -0.055 13.393 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.717 13.824 1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.412 12.116 1.081 1.00 0.00 H new ATOM 1733 N ASN A 104 -2.335 10.681 5.273 1.00 0.00 N ATOM 1734 CA ASN A 104 -2.441 10.278 6.705 1.00 0.00 C ATOM 1735 C ASN A 104 -2.558 8.754 6.825 1.00 0.00 C ATOM 1736 O ASN A 104 -2.330 8.188 7.876 1.00 0.00 O ATOM 1737 CB ASN A 104 -3.712 10.957 7.215 1.00 0.00 C ATOM 1738 CG ASN A 104 -3.432 12.439 7.463 1.00 0.00 C ATOM 1739 OD1 ASN A 104 -3.463 12.896 8.588 1.00 0.00 O ATOM 1740 ND2 ASN A 104 -3.155 13.216 6.452 1.00 0.00 N ATOM 0 H ASN A 104 -3.222 10.737 4.772 1.00 0.00 H new ATOM 0 HA ASN A 104 -1.563 10.571 7.280 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -4.515 10.844 6.487 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -4.048 10.480 8.136 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -2.965 14.206 6.607 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -3.129 12.833 5.507 1.00 0.00 H new ATOM 1747 N PHE A 105 -2.910 8.085 5.759 1.00 0.00 N ATOM 1748 CA PHE A 105 -3.039 6.598 5.823 1.00 0.00 C ATOM 1749 C PHE A 105 -2.042 5.935 4.870 1.00 0.00 C ATOM 1750 O PHE A 105 -1.169 5.200 5.284 1.00 0.00 O ATOM 1751 CB PHE A 105 -4.473 6.302 5.383 1.00 0.00 C ATOM 1752 CG PHE A 105 -4.918 4.986 5.976 1.00 0.00 C ATOM 1753 CD1 PHE A 105 -4.095 3.857 5.873 1.00 0.00 C ATOM 1754 CD2 PHE A 105 -6.152 4.896 6.631 1.00 0.00 C ATOM 1755 CE1 PHE A 105 -4.507 2.638 6.428 1.00 0.00 C ATOM 1756 CE2 PHE A 105 -6.563 3.678 7.186 1.00 0.00 C ATOM 1757 CZ PHE A 105 -5.741 2.549 7.084 1.00 0.00 C ATOM 0 H PHE A 105 -3.113 8.501 4.850 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.830 6.212 6.821 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -5.137 7.103 5.707 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.530 6.261 4.295 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -3.144 3.926 5.366 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.787 5.766 6.708 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -3.873 1.767 6.350 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.514 3.609 7.693 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.059 1.609 7.511 1.00 0.00 H new ATOM 1767 N LEU A 106 -2.165 6.189 3.596 1.00 0.00 N ATOM 1768 CA LEU A 106 -1.224 5.573 2.621 1.00 0.00 C ATOM 1769 C LEU A 106 0.207 6.023 2.927 1.00 0.00 C ATOM 1770 O LEU A 106 1.161 5.317 2.670 1.00 0.00 O ATOM 1771 CB LEU A 106 -1.682 6.091 1.258 1.00 0.00 C ATOM 1772 CG LEU A 106 -2.842 5.232 0.741 1.00 0.00 C ATOM 1773 CD1 LEU A 106 -2.295 3.910 0.201 1.00 0.00 C ATOM 1774 CD2 LEU A 106 -3.828 4.947 1.878 1.00 0.00 C ATOM 0 H LEU A 106 -2.876 6.796 3.189 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.227 4.484 2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -1.996 7.131 1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.853 6.063 0.551 1.00 0.00 H new ATOM 0 HG LEU A 106 -3.358 5.769 -0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -3.119 3.298 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.599 4.110 -0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -1.776 3.378 0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.649 4.336 1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.316 4.414 2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.222 5.888 2.263 1.00 0.00 H new ATOM 1786 N MET A 107 0.357 7.190 3.490 1.00 0.00 N ATOM 1787 CA MET A 107 1.721 7.686 3.833 1.00 0.00 C ATOM 1788 C MET A 107 2.217 6.980 5.097 1.00 0.00 C ATOM 1789 O MET A 107 3.399 6.887 5.347 1.00 0.00 O ATOM 1790 CB MET A 107 1.538 9.184 4.091 1.00 0.00 C ATOM 1791 CG MET A 107 2.803 9.938 3.680 1.00 0.00 C ATOM 1792 SD MET A 107 2.475 11.718 3.703 1.00 0.00 S ATOM 1793 CE MET A 107 2.493 11.932 5.500 1.00 0.00 C ATOM 0 H MET A 107 -0.407 7.823 3.728 1.00 0.00 H new ATOM 0 HA MET A 107 2.451 7.496 3.047 1.00 0.00 H new ATOM 0 HB2 MET A 107 0.682 9.557 3.529 1.00 0.00 H new ATOM 0 HB3 MET A 107 1.327 9.358 5.146 1.00 0.00 H new ATOM 0 HG2 MET A 107 3.620 9.699 4.361 1.00 0.00 H new ATOM 0 HG3 MET A 107 3.117 9.628 2.683 1.00 0.00 H new ATOM 0 HE1 MET A 107 1.497 12.213 5.843 1.00 0.00 H new ATOM 0 HE2 MET A 107 2.790 10.997 5.975 1.00 0.00 H new ATOM 0 HE3 MET A 107 3.202 12.716 5.766 1.00 0.00 H new ATOM 1803 N HIS A 108 1.307 6.485 5.891 1.00 0.00 N ATOM 1804 CA HIS A 108 1.691 5.781 7.148 1.00 0.00 C ATOM 1805 C HIS A 108 0.428 5.368 7.903 1.00 0.00 C ATOM 1806 O HIS A 108 -0.112 6.131 8.678 1.00 0.00 O ATOM 1807 CB HIS A 108 2.487 6.802 7.961 1.00 0.00 C ATOM 1808 CG HIS A 108 1.630 8.009 8.220 1.00 0.00 C ATOM 1809 ND1 HIS A 108 1.684 8.709 9.415 1.00 0.00 N ATOM 1810 CD2 HIS A 108 0.694 8.652 7.449 1.00 0.00 C ATOM 1811 CE1 HIS A 108 0.804 9.723 9.329 1.00 0.00 C ATOM 1812 NE2 HIS A 108 0.174 9.734 8.152 1.00 0.00 N ATOM 0 H HIS A 108 0.303 6.539 5.720 1.00 0.00 H new ATOM 0 HA HIS A 108 2.274 4.880 6.959 1.00 0.00 H new ATOM 0 HB2 HIS A 108 2.809 6.361 8.905 1.00 0.00 H new ATOM 0 HB3 HIS A 108 3.388 7.091 7.420 1.00 0.00 H new ATOM 0 HD1 HIS A 108 2.281 8.495 10.213 1.00 0.00 H new ATOM 0 HD2 HIS A 108 0.405 8.362 6.449 1.00 0.00 H new ATOM 0 HE1 HIS A 108 0.629 10.441 10.117 1.00 0.00 H new ATOM 1820 N PRO A 109 -0.007 4.169 7.636 1.00 0.00 N ATOM 1821 CA PRO A 109 -1.232 3.639 8.283 1.00 0.00 C ATOM 1822 C PRO A 109 -0.969 3.345 9.762 1.00 0.00 C ATOM 1823 O PRO A 109 -1.132 4.197 10.612 1.00 0.00 O ATOM 1824 CB PRO A 109 -1.511 2.352 7.511 1.00 0.00 C ATOM 1825 CG PRO A 109 -0.186 1.938 6.962 1.00 0.00 C ATOM 1826 CD PRO A 109 0.597 3.200 6.719 1.00 0.00 C ATOM 0 HA PRO A 109 -2.070 4.336 8.258 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.926 1.583 8.162 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -2.234 2.519 6.713 1.00 0.00 H new ATOM 0 HG2 PRO A 109 0.337 1.288 7.663 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -0.310 1.375 6.037 1.00 0.00 H new ATOM 0 HD2 PRO A 109 1.657 3.059 6.928 1.00 0.00 H new ATOM 0 HD3 PRO A 109 0.517 3.527 5.682 1.00 0.00 H new ATOM 1834 N LYS A 110 -0.562 2.146 10.076 1.00 0.00 N ATOM 1835 CA LYS A 110 -0.289 1.799 11.499 1.00 0.00 C ATOM 1836 C LYS A 110 -1.590 1.817 12.307 1.00 0.00 C ATOM 1837 O LYS A 110 -2.200 2.869 12.385 1.00 0.00 O ATOM 1838 CB LYS A 110 0.666 2.885 11.995 1.00 0.00 C ATOM 1839 CG LYS A 110 1.922 2.236 12.578 1.00 0.00 C ATOM 1840 CD LYS A 110 3.041 3.277 12.663 1.00 0.00 C ATOM 1841 CE LYS A 110 3.610 3.530 11.266 1.00 0.00 C ATOM 1842 NZ LYS A 110 3.385 4.981 11.018 1.00 0.00 N ATOM 0 H LYS A 110 -0.407 1.391 9.408 1.00 0.00 H new ATOM 0 HA LYS A 110 0.137 0.802 11.607 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.935 3.549 11.174 1.00 0.00 H new ATOM 0 HB3 LYS A 110 0.176 3.497 12.752 1.00 0.00 H new ATOM 0 HG2 LYS A 110 1.710 1.833 13.568 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.235 1.399 11.954 1.00 0.00 H new ATOM 0 HD2 LYS A 110 2.657 4.206 13.084 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.829 2.926 13.330 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.670 3.281 11.220 1.00 0.00 H new ATOM 0 HE3 LYS A 110 3.106 2.918 10.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 4.035 5.311 10.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 2.403 5.132 10.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 3.559 5.514 11.894 1.00 0.00 H new