USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 659 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 132 SER OG : rot -82:sc= 0.0112 USER MOD Set 1.2: A 136 GLN :FLIP amide:sc= 0.682 F(o=-2.1,f=0.69) USER MOD Set 2.1: A 68 LYS NZ :NH3+ 152:sc= -2.69 (180deg=-2.84) USER MOD Set 2.2: A 105 GLN :FLIP amide:sc= -4.07! C(o=-14!,f=-6.8!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -176:sc= 2.07 USER MOD Single : A 43 THR OG1 : rot -76:sc= -0.734! USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : +bothHN:sc= -1.81 K(o=-1.8,f=-6!) USER MOD Single : A 61 SER OG : rot -29:sc= 0.574 USER MOD Single : A 69 ASN : amide:sc= 0.739 K(o=0.74,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 81:sc= 1.17 USER MOD Single : A 74 CYS SG : rot -78:sc= -0.281 USER MOD Single : A 76 SER OG : rot -21:sc= 0.378 USER MOD Single : A 77 TYR OH : rot 30:sc= -0.0279 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN :FLIP amide:sc= -4.68 F(o=-9.9!,f=-4.7) USER MOD Single : A 83 GLN :FLIP amide:sc= -0.665 F(o=-3.9,f=-0.66) USER MOD Single : A 84 MET CE :methyl -152:sc= -0.249 (180deg=-1.02) USER MOD Single : A 86 ASN :FLIP amide:sc= -4.24! C(o=-10!,f=-4.2!) USER MOD Single : A 87 LYS NZ :NH3+ 157:sc= -0.0878 (180deg=-0.431) USER MOD Single : A 95 ASN :FLIP amide:sc= -2.12 F(o=-6.1!,f=-2.1) USER MOD Single : A 96 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0426) USER MOD Single : A 99 ASN : amide:sc= 0.172 K(o=0.17,f=-0.68) USER MOD Single : A 100 ASN :FLIP amide:sc= -5.1! C(o=-9.2!,f=-5.1!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot -52:sc= 1.17 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N ILE A 34 5.935 -9.310 1.238 1.00 0.39 N ATOM 30 CA ILE A 34 4.658 -8.629 1.115 1.00 0.25 C ATOM 31 C ILE A 34 3.483 -9.581 1.290 1.00 0.24 C ATOM 32 O ILE A 34 3.228 -10.445 0.451 1.00 0.25 O ATOM 33 CB ILE A 34 4.524 -7.907 -0.240 1.00 0.25 C ATOM 34 CG1 ILE A 34 5.604 -6.835 -0.386 1.00 0.29 C ATOM 35 CG2 ILE A 34 3.137 -7.298 -0.393 1.00 0.32 C ATOM 36 CD1 ILE A 34 5.520 -5.753 0.665 1.00 0.35 C ATOM 0 HA ILE A 34 4.634 -7.891 1.917 1.00 0.25 H new ATOM 0 HB ILE A 34 4.661 -8.642 -1.033 1.00 0.25 H new ATOM 0 HG12 ILE A 34 6.585 -7.308 -0.333 1.00 0.29 H new ATOM 0 HG13 ILE A 34 5.523 -6.380 -1.373 1.00 0.29 H new ATOM 0 HG21 ILE A 34 3.065 -6.794 -1.357 1.00 0.32 H new ATOM 0 HG22 ILE A 34 2.386 -8.086 -0.339 1.00 0.32 H new ATOM 0 HG23 ILE A 34 2.966 -6.578 0.407 1.00 0.32 H new ATOM 0 HD11 ILE A 34 6.315 -5.025 0.503 1.00 0.35 H new ATOM 0 HD12 ILE A 34 4.553 -5.255 0.598 1.00 0.35 H new ATOM 0 HD13 ILE A 34 5.631 -6.197 1.654 1.00 0.35 H new ATOM 48 N THR A 35 2.773 -9.406 2.393 1.00 0.25 N ATOM 49 CA THR A 35 1.603 -10.208 2.698 1.00 0.26 C ATOM 50 C THR A 35 0.438 -9.292 3.057 1.00 0.23 C ATOM 51 O THR A 35 0.433 -8.115 2.692 1.00 0.31 O ATOM 52 CB THR A 35 1.868 -11.177 3.865 1.00 0.33 C ATOM 53 OG1 THR A 35 2.256 -10.445 5.034 1.00 0.36 O ATOM 54 CG2 THR A 35 2.956 -12.176 3.503 1.00 0.35 C ATOM 0 H THR A 35 2.993 -8.704 3.100 1.00 0.25 H new ATOM 0 HA THR A 35 1.361 -10.799 1.815 1.00 0.26 H new ATOM 0 HB THR A 35 0.947 -11.724 4.069 1.00 0.33 H new ATOM 0 HG1 THR A 35 2.421 -11.069 5.771 1.00 0.36 H new ATOM 0 HG21 THR A 35 3.125 -12.850 4.343 1.00 0.35 H new ATOM 0 HG22 THR A 35 2.645 -12.753 2.632 1.00 0.35 H new ATOM 0 HG23 THR A 35 3.878 -11.642 3.274 1.00 0.35 H new ATOM 62 N LYS A 36 -0.555 -9.820 3.750 1.00 0.18 N ATOM 63 CA LYS A 36 -1.685 -9.000 4.158 1.00 0.15 C ATOM 64 C LYS A 36 -1.278 -8.106 5.320 1.00 0.12 C ATOM 65 O LYS A 36 -1.796 -7.007 5.483 1.00 0.14 O ATOM 66 CB LYS A 36 -2.886 -9.870 4.523 1.00 0.20 C ATOM 67 CG LYS A 36 -3.704 -9.358 5.703 1.00 0.27 C ATOM 68 CD LYS A 36 -3.173 -9.879 7.034 1.00 0.61 C ATOM 69 CE LYS A 36 -3.370 -11.380 7.167 1.00 0.57 C ATOM 70 NZ LYS A 36 -2.893 -11.888 8.484 1.00 0.99 N ATOM 0 H LYS A 36 -0.604 -10.797 4.039 1.00 0.18 H new ATOM 0 HA LYS A 36 -1.984 -8.368 3.322 1.00 0.15 H new ATOM 0 HB2 LYS A 36 -3.538 -9.950 3.653 1.00 0.20 H new ATOM 0 HB3 LYS A 36 -2.534 -10.876 4.751 1.00 0.20 H new ATOM 0 HG2 LYS A 36 -3.690 -8.268 5.708 1.00 0.27 H new ATOM 0 HG3 LYS A 36 -4.744 -9.663 5.583 1.00 0.27 H new ATOM 0 HD2 LYS A 36 -2.113 -9.642 7.121 1.00 0.61 H new ATOM 0 HD3 LYS A 36 -3.682 -9.371 7.853 1.00 0.61 H new ATOM 0 HE2 LYS A 36 -4.426 -11.620 7.046 1.00 0.57 H new ATOM 0 HE3 LYS A 36 -2.834 -11.889 6.366 1.00 0.57 H new ATOM 0 HZ1 LYS A 36 -3.045 -12.916 8.535 1.00 0.99 H new ATOM 0 HZ2 LYS A 36 -1.879 -11.682 8.589 1.00 0.99 H new ATOM 0 HZ3 LYS A 36 -3.422 -11.421 9.248 1.00 0.99 H new ATOM 84 N GLY A 37 -0.353 -8.604 6.127 1.00 0.13 N ATOM 85 CA GLY A 37 0.141 -7.840 7.259 1.00 0.14 C ATOM 86 C GLY A 37 0.796 -6.540 6.827 1.00 0.14 C ATOM 87 O GLY A 37 0.534 -5.484 7.403 1.00 0.15 O ATOM 0 H GLY A 37 0.067 -9.527 6.019 1.00 0.13 H new ATOM 0 HA2 GLY A 37 -0.684 -7.622 7.937 1.00 0.14 H new ATOM 0 HA3 GLY A 37 0.860 -8.441 7.815 1.00 0.14 H new ATOM 91 N VAL A 38 1.651 -6.618 5.808 1.00 0.15 N ATOM 92 CA VAL A 38 2.335 -5.438 5.286 1.00 0.16 C ATOM 93 C VAL A 38 1.322 -4.509 4.638 1.00 0.15 C ATOM 94 O VAL A 38 1.399 -3.287 4.761 1.00 0.16 O ATOM 95 CB VAL A 38 3.405 -5.823 4.239 1.00 0.21 C ATOM 96 CG1 VAL A 38 2.754 -6.388 2.991 1.00 1.11 C ATOM 97 CG2 VAL A 38 4.276 -4.634 3.873 1.00 1.28 C ATOM 0 H VAL A 38 1.886 -7.487 5.328 1.00 0.15 H new ATOM 0 HA VAL A 38 2.830 -4.940 6.120 1.00 0.16 H new ATOM 0 HB VAL A 38 4.040 -6.587 4.687 1.00 0.21 H new ATOM 0 HG11 VAL A 38 3.524 -6.653 2.267 1.00 1.11 H new ATOM 0 HG12 VAL A 38 2.180 -7.277 3.251 1.00 1.11 H new ATOM 0 HG13 VAL A 38 2.090 -5.641 2.557 1.00 1.11 H new ATOM 0 HG21 VAL A 38 5.018 -4.940 3.135 1.00 1.28 H new ATOM 0 HG22 VAL A 38 3.654 -3.842 3.456 1.00 1.28 H new ATOM 0 HG23 VAL A 38 4.783 -4.266 4.765 1.00 1.28 H new ATOM 107 N VAL A 39 0.369 -5.120 3.945 1.00 0.14 N ATOM 108 CA VAL A 39 -0.682 -4.390 3.266 1.00 0.15 C ATOM 109 C VAL A 39 -1.547 -3.625 4.266 1.00 0.14 C ATOM 110 O VAL A 39 -1.887 -2.472 4.042 1.00 0.17 O ATOM 111 CB VAL A 39 -1.530 -5.352 2.401 1.00 0.15 C ATOM 112 CG1 VAL A 39 -3.014 -5.028 2.460 1.00 0.15 C ATOM 113 CG2 VAL A 39 -1.033 -5.322 0.966 1.00 0.17 C ATOM 0 H VAL A 39 0.307 -6.133 3.841 1.00 0.14 H new ATOM 0 HA VAL A 39 -0.225 -3.655 2.603 1.00 0.15 H new ATOM 0 HB VAL A 39 -1.412 -6.356 2.808 1.00 0.15 H new ATOM 0 HG11 VAL A 39 -3.565 -5.732 1.836 1.00 0.15 H new ATOM 0 HG12 VAL A 39 -3.363 -5.106 3.490 1.00 0.15 H new ATOM 0 HG13 VAL A 39 -3.180 -4.014 2.096 1.00 0.15 H new ATOM 0 HG21 VAL A 39 -1.632 -6.001 0.359 1.00 0.17 H new ATOM 0 HG22 VAL A 39 -1.120 -4.310 0.572 1.00 0.17 H new ATOM 0 HG23 VAL A 39 0.011 -5.634 0.936 1.00 0.17 H new ATOM 123 N LEU A 40 -1.896 -4.265 5.371 1.00 0.13 N ATOM 124 CA LEU A 40 -2.700 -3.613 6.392 1.00 0.14 C ATOM 125 C LEU A 40 -1.952 -2.426 6.983 1.00 0.14 C ATOM 126 O LEU A 40 -2.514 -1.343 7.137 1.00 0.15 O ATOM 127 CB LEU A 40 -3.088 -4.614 7.474 1.00 0.15 C ATOM 128 CG LEU A 40 -4.199 -5.576 7.060 1.00 0.16 C ATOM 129 CD1 LEU A 40 -4.236 -6.780 7.979 1.00 0.17 C ATOM 130 CD2 LEU A 40 -5.537 -4.861 7.058 1.00 0.21 C ATOM 0 H LEU A 40 -1.637 -5.229 5.583 1.00 0.13 H new ATOM 0 HA LEU A 40 -3.614 -3.236 5.934 1.00 0.14 H new ATOM 0 HB2 LEU A 40 -2.207 -5.191 7.753 1.00 0.15 H new ATOM 0 HB3 LEU A 40 -3.406 -4.068 8.362 1.00 0.15 H new ATOM 0 HG LEU A 40 -3.993 -5.930 6.050 1.00 0.16 H new ATOM 0 HD11 LEU A 40 -5.035 -7.452 7.666 1.00 0.17 H new ATOM 0 HD12 LEU A 40 -3.281 -7.304 7.931 1.00 0.17 H new ATOM 0 HD13 LEU A 40 -4.419 -6.451 9.002 1.00 0.17 H new ATOM 0 HD21 LEU A 40 -6.321 -5.557 6.761 1.00 0.21 H new ATOM 0 HD22 LEU A 40 -5.748 -4.481 8.058 1.00 0.21 H new ATOM 0 HD23 LEU A 40 -5.504 -4.030 6.354 1.00 0.21 H new ATOM 142 N ASP A 41 -0.685 -2.638 7.324 1.00 0.16 N ATOM 143 CA ASP A 41 0.144 -1.569 7.870 1.00 0.18 C ATOM 144 C ASP A 41 0.210 -0.399 6.890 1.00 0.18 C ATOM 145 O ASP A 41 0.307 0.760 7.293 1.00 0.20 O ATOM 146 CB ASP A 41 1.553 -2.086 8.167 1.00 0.18 C ATOM 147 CG ASP A 41 2.444 -1.020 8.775 1.00 0.20 C ATOM 148 OD1 ASP A 41 2.424 -0.865 10.015 1.00 0.24 O ATOM 149 OD2 ASP A 41 3.162 -0.340 8.012 1.00 0.21 O ATOM 0 H ASP A 41 -0.211 -3.537 7.232 1.00 0.16 H new ATOM 0 HA ASP A 41 -0.305 -1.224 8.801 1.00 0.18 H new ATOM 0 HB2 ASP A 41 1.490 -2.935 8.848 1.00 0.18 H new ATOM 0 HB3 ASP A 41 2.005 -2.451 7.245 1.00 0.18 H new ATOM 154 N SER A 42 0.161 -0.722 5.600 1.00 0.17 N ATOM 155 CA SER A 42 0.203 0.286 4.545 1.00 0.19 C ATOM 156 C SER A 42 -1.149 0.983 4.386 1.00 0.24 C ATOM 157 O SER A 42 -1.206 2.187 4.118 1.00 0.34 O ATOM 158 CB SER A 42 0.674 -0.348 3.240 1.00 0.21 C ATOM 159 OG SER A 42 2.054 -0.661 3.301 1.00 0.30 O ATOM 0 H SER A 42 0.092 -1.681 5.259 1.00 0.17 H new ATOM 0 HA SER A 42 0.920 1.058 4.826 1.00 0.19 H new ATOM 0 HB2 SER A 42 0.100 -1.253 3.042 1.00 0.21 H new ATOM 0 HB3 SER A 42 0.488 0.335 2.411 1.00 0.21 H new ATOM 0 HG SER A 42 2.351 -1.003 2.432 1.00 0.30 H new ATOM 165 N THR A 43 -2.233 0.236 4.574 1.00 0.20 N ATOM 166 CA THR A 43 -3.570 0.811 4.477 1.00 0.25 C ATOM 167 C THR A 43 -3.849 1.675 5.696 1.00 0.26 C ATOM 168 O THR A 43 -4.646 2.612 5.644 1.00 0.28 O ATOM 169 CB THR A 43 -4.657 -0.273 4.375 1.00 0.33 C ATOM 170 OG1 THR A 43 -4.181 -1.500 4.931 1.00 0.42 O ATOM 171 CG2 THR A 43 -5.085 -0.493 2.933 1.00 0.38 C ATOM 0 H THR A 43 -2.213 -0.760 4.792 1.00 0.20 H new ATOM 0 HA THR A 43 -3.600 1.412 3.568 1.00 0.25 H new ATOM 0 HB THR A 43 -5.525 0.069 4.939 1.00 0.33 H new ATOM 0 HG1 THR A 43 -3.565 -1.928 4.300 1.00 0.42 H new ATOM 0 HG21 THR A 43 -5.854 -1.265 2.895 1.00 0.38 H new ATOM 0 HG22 THR A 43 -5.483 0.436 2.526 1.00 0.38 H new ATOM 0 HG23 THR A 43 -4.225 -0.808 2.342 1.00 0.38 H new ATOM 179 N GLU A 44 -3.182 1.344 6.797 1.00 0.25 N ATOM 180 CA GLU A 44 -3.331 2.079 8.041 1.00 0.27 C ATOM 181 C GLU A 44 -2.514 3.363 7.993 1.00 0.23 C ATOM 182 O GLU A 44 -3.001 4.431 8.354 1.00 0.21 O ATOM 183 CB GLU A 44 -2.882 1.217 9.217 1.00 0.31 C ATOM 184 CG GLU A 44 -3.681 1.455 10.480 1.00 0.65 C ATOM 185 CD GLU A 44 -3.232 0.577 11.631 1.00 0.79 C ATOM 186 OE1 GLU A 44 -2.313 0.990 12.370 1.00 1.06 O ATOM 187 OE2 GLU A 44 -3.798 -0.525 11.793 1.00 1.52 O ATOM 0 H GLU A 44 -2.528 0.563 6.849 1.00 0.25 H new ATOM 0 HA GLU A 44 -4.382 2.335 8.173 1.00 0.27 H new ATOM 0 HB2 GLU A 44 -2.962 0.166 8.938 1.00 0.31 H new ATOM 0 HB3 GLU A 44 -1.829 1.413 9.420 1.00 0.31 H new ATOM 0 HG2 GLU A 44 -3.591 2.502 10.770 1.00 0.65 H new ATOM 0 HG3 GLU A 44 -4.736 1.270 10.278 1.00 0.65 H new ATOM 194 N ALA A 45 -1.262 3.243 7.560 1.00 0.26 N ATOM 195 CA ALA A 45 -0.374 4.394 7.449 1.00 0.26 C ATOM 196 C ALA A 45 -1.033 5.519 6.659 1.00 0.23 C ATOM 197 O ALA A 45 -1.017 6.677 7.081 1.00 0.23 O ATOM 198 CB ALA A 45 0.937 3.983 6.794 1.00 0.28 C ATOM 0 H ALA A 45 -0.840 2.358 7.280 1.00 0.26 H new ATOM 0 HA ALA A 45 -0.167 4.764 8.453 1.00 0.26 H new ATOM 0 HB1 ALA A 45 1.592 4.850 6.716 1.00 0.28 H new ATOM 0 HB2 ALA A 45 1.421 3.216 7.398 1.00 0.28 H new ATOM 0 HB3 ALA A 45 0.738 3.588 5.798 1.00 0.28 H new ATOM 204 N LEU A 46 -1.621 5.178 5.514 1.00 0.22 N ATOM 205 CA LEU A 46 -2.292 6.178 4.692 1.00 0.21 C ATOM 206 C LEU A 46 -3.564 6.655 5.379 1.00 0.18 C ATOM 207 O LEU A 46 -3.874 7.844 5.368 1.00 0.16 O ATOM 208 CB LEU A 46 -2.604 5.632 3.291 1.00 0.23 C ATOM 209 CG LEU A 46 -3.634 4.503 3.229 1.00 0.23 C ATOM 210 CD1 LEU A 46 -5.048 5.054 3.162 1.00 0.21 C ATOM 211 CD2 LEU A 46 -3.368 3.612 2.040 1.00 0.30 C ATOM 0 H LEU A 46 -1.646 4.230 5.140 1.00 0.22 H new ATOM 0 HA LEU A 46 -1.618 7.026 4.572 1.00 0.21 H new ATOM 0 HB2 LEU A 46 -2.959 6.456 2.672 1.00 0.23 H new ATOM 0 HB3 LEU A 46 -1.675 5.275 2.846 1.00 0.23 H new ATOM 0 HG LEU A 46 -3.540 3.914 4.141 1.00 0.23 H new ATOM 0 HD11 LEU A 46 -5.758 4.229 3.119 1.00 0.21 H new ATOM 0 HD12 LEU A 46 -5.246 5.657 4.048 1.00 0.21 H new ATOM 0 HD13 LEU A 46 -5.156 5.672 2.271 1.00 0.21 H new ATOM 0 HD21 LEU A 46 -4.110 2.814 2.010 1.00 0.30 H new ATOM 0 HD22 LEU A 46 -3.430 4.199 1.124 1.00 0.30 H new ATOM 0 HD23 LEU A 46 -2.372 3.178 2.126 1.00 0.30 H new ATOM 223 N CYS A 47 -4.286 5.717 5.989 1.00 0.17 N ATOM 224 CA CYS A 47 -5.529 6.033 6.685 1.00 0.16 C ATOM 225 C CYS A 47 -5.294 7.078 7.770 1.00 0.16 C ATOM 226 O CYS A 47 -6.094 7.996 7.943 1.00 0.20 O ATOM 227 CB CYS A 47 -6.128 4.767 7.300 1.00 0.19 C ATOM 228 SG CYS A 47 -7.684 5.037 8.181 1.00 0.23 S ATOM 0 H CYS A 47 -4.030 4.730 6.015 1.00 0.17 H new ATOM 0 HA CYS A 47 -6.230 6.443 5.958 1.00 0.16 H new ATOM 0 HB2 CYS A 47 -6.293 4.035 6.509 1.00 0.19 H new ATOM 0 HB3 CYS A 47 -5.403 4.333 7.989 1.00 0.19 H new ATOM 0 HG CYS A 47 -8.111 3.908 8.663 1.00 0.23 H new ATOM 234 N LEU A 48 -4.193 6.929 8.498 1.00 0.17 N ATOM 235 CA LEU A 48 -3.850 7.862 9.560 1.00 0.18 C ATOM 236 C LEU A 48 -3.547 9.230 8.979 1.00 0.18 C ATOM 237 O LEU A 48 -3.923 10.249 9.551 1.00 0.23 O ATOM 238 CB LEU A 48 -2.658 7.344 10.367 1.00 0.21 C ATOM 239 CG LEU A 48 -3.023 6.558 11.631 1.00 0.23 C ATOM 240 CD1 LEU A 48 -4.110 5.534 11.337 1.00 1.20 C ATOM 241 CD2 LEU A 48 -1.790 5.877 12.206 1.00 1.14 C ATOM 0 H LEU A 48 -3.524 6.170 8.371 1.00 0.17 H new ATOM 0 HA LEU A 48 -4.703 7.952 10.232 1.00 0.18 H new ATOM 0 HB2 LEU A 48 -2.052 6.706 9.723 1.00 0.21 H new ATOM 0 HB3 LEU A 48 -2.035 8.192 10.652 1.00 0.21 H new ATOM 0 HG LEU A 48 -3.409 7.260 12.370 1.00 0.23 H new ATOM 0 HD11 LEU A 48 -4.352 4.989 12.249 1.00 1.20 H new ATOM 0 HD12 LEU A 48 -5.001 6.044 10.972 1.00 1.20 H new ATOM 0 HD13 LEU A 48 -3.756 4.835 10.579 1.00 1.20 H new ATOM 0 HD21 LEU A 48 -2.066 5.323 13.103 1.00 1.14 H new ATOM 0 HD22 LEU A 48 -1.376 5.190 11.468 1.00 1.14 H new ATOM 0 HD23 LEU A 48 -1.043 6.630 12.459 1.00 1.14 H new ATOM 253 N ALA A 49 -2.855 9.249 7.842 1.00 0.16 N ATOM 254 CA ALA A 49 -2.536 10.505 7.179 1.00 0.18 C ATOM 255 C ALA A 49 -3.814 11.284 6.910 1.00 0.18 C ATOM 256 O ALA A 49 -3.853 12.505 7.058 1.00 0.28 O ATOM 257 CB ALA A 49 -1.779 10.259 5.888 1.00 0.19 C ATOM 0 H ALA A 49 -2.508 8.416 7.366 1.00 0.16 H new ATOM 0 HA ALA A 49 -1.894 11.093 7.835 1.00 0.18 H new ATOM 0 HB1 ALA A 49 -1.552 11.213 5.412 1.00 0.19 H new ATOM 0 HB2 ALA A 49 -0.850 9.732 6.106 1.00 0.19 H new ATOM 0 HB3 ALA A 49 -2.390 9.655 5.217 1.00 0.19 H new ATOM 263 N ILE A 50 -4.865 10.565 6.514 1.00 0.12 N ATOM 264 CA ILE A 50 -6.153 11.192 6.256 1.00 0.14 C ATOM 265 C ILE A 50 -6.753 11.645 7.576 1.00 0.18 C ATOM 266 O ILE A 50 -7.370 12.707 7.665 1.00 0.21 O ATOM 267 CB ILE A 50 -7.156 10.250 5.553 1.00 0.14 C ATOM 268 CG1 ILE A 50 -6.443 9.238 4.654 1.00 0.15 C ATOM 269 CG2 ILE A 50 -8.125 11.074 4.729 1.00 0.17 C ATOM 270 CD1 ILE A 50 -7.371 8.213 4.036 1.00 0.18 C ATOM 0 H ILE A 50 -4.846 9.556 6.367 1.00 0.12 H new ATOM 0 HA ILE A 50 -5.973 12.033 5.586 1.00 0.14 H new ATOM 0 HB ILE A 50 -7.695 9.693 6.319 1.00 0.14 H new ATOM 0 HG12 ILE A 50 -5.926 9.774 3.858 1.00 0.15 H new ATOM 0 HG13 ILE A 50 -5.681 8.721 5.237 1.00 0.15 H new ATOM 0 HG21 ILE A 50 -8.834 10.412 4.232 1.00 0.17 H new ATOM 0 HG22 ILE A 50 -8.665 11.760 5.381 1.00 0.17 H new ATOM 0 HG23 ILE A 50 -7.574 11.643 3.981 1.00 0.17 H new ATOM 0 HD11 ILE A 50 -6.795 7.530 3.412 1.00 0.18 H new ATOM 0 HD12 ILE A 50 -7.869 7.651 4.826 1.00 0.18 H new ATOM 0 HD13 ILE A 50 -8.118 8.720 3.425 1.00 0.18 H new ATOM 282 N SER A 51 -6.563 10.819 8.601 1.00 0.25 N ATOM 283 CA SER A 51 -7.054 11.125 9.935 1.00 0.31 C ATOM 284 C SER A 51 -6.226 12.258 10.525 1.00 0.35 C ATOM 285 O SER A 51 -6.606 12.873 11.522 1.00 0.40 O ATOM 286 CB SER A 51 -6.962 9.888 10.835 1.00 0.35 C ATOM 287 OG SER A 51 -7.802 10.021 11.969 1.00 0.45 O ATOM 0 H SER A 51 -6.070 9.929 8.529 1.00 0.25 H new ATOM 0 HA SER A 51 -8.099 11.428 9.871 1.00 0.31 H new ATOM 0 HB2 SER A 51 -7.246 9.001 10.270 1.00 0.35 H new ATOM 0 HB3 SER A 51 -5.931 9.744 11.157 1.00 0.35 H new ATOM 0 HG SER A 51 -7.727 9.219 12.527 1.00 0.45 H new ATOM 293 N ARG A 52 -5.088 12.521 9.888 1.00 0.33 N ATOM 294 CA ARG A 52 -4.184 13.571 10.325 1.00 0.40 C ATOM 295 C ARG A 52 -4.492 14.888 9.624 1.00 0.41 C ATOM 296 O ARG A 52 -4.086 15.956 10.082 1.00 0.85 O ATOM 297 CB ARG A 52 -2.739 13.166 10.073 1.00 0.46 C ATOM 298 CG ARG A 52 -2.192 12.233 11.137 1.00 1.01 C ATOM 299 CD ARG A 52 -0.788 11.789 10.797 1.00 1.09 C ATOM 300 NE ARG A 52 0.187 12.859 10.988 1.00 1.61 N ATOM 301 CZ ARG A 52 1.346 12.701 11.620 1.00 1.97 C ATOM 302 NH1 ARG A 52 1.673 11.520 12.128 1.00 1.88 N ATOM 303 NH2 ARG A 52 2.178 13.724 11.746 1.00 2.91 N ATOM 0 H ARG A 52 -4.772 12.014 9.061 1.00 0.33 H new ATOM 0 HA ARG A 52 -4.329 13.715 11.396 1.00 0.40 H new ATOM 0 HB2 ARG A 52 -2.668 12.680 9.100 1.00 0.46 H new ATOM 0 HB3 ARG A 52 -2.119 14.061 10.029 1.00 0.46 H new ATOM 0 HG2 ARG A 52 -2.194 12.737 12.104 1.00 1.01 H new ATOM 0 HG3 ARG A 52 -2.840 11.362 11.230 1.00 1.01 H new ATOM 0 HD2 ARG A 52 -0.517 10.936 11.420 1.00 1.09 H new ATOM 0 HD3 ARG A 52 -0.756 11.450 9.761 1.00 1.09 H new ATOM 0 HE ARG A 52 -0.034 13.782 10.615 1.00 1.61 H new ATOM 0 HH11 ARG A 52 1.035 10.730 12.034 1.00 1.88 H new ATOM 0 HH12 ARG A 52 2.563 11.402 12.612 1.00 1.88 H new ATOM 0 HH21 ARG A 52 1.930 14.634 11.358 1.00 2.91 H new ATOM 0 HH22 ARG A 52 3.067 13.602 12.231 1.00 2.91 H new ATOM 412 N HIS A 60 -2.283 16.171 2.162 1.00 0.54 N ATOM 413 CA HIS A 60 -3.135 15.443 1.228 1.00 0.41 C ATOM 414 C HIS A 60 -2.290 14.504 0.374 1.00 0.37 C ATOM 415 O HIS A 60 -2.759 13.453 -0.066 1.00 0.60 O ATOM 416 CB HIS A 60 -3.878 16.443 0.336 1.00 0.56 C ATOM 417 CG HIS A 60 -4.657 15.815 -0.777 1.00 0.48 C ATOM 418 ND1 HIS A 60 -6.024 15.712 -0.720 1.00 1.10 N ATOM 419 CD2 HIS A 60 -4.222 15.298 -1.951 1.00 0.48 C ATOM 420 CE1 HIS A 60 -6.389 15.139 -1.851 1.00 1.30 C ATOM 421 NE2 HIS A 60 -5.331 14.869 -2.629 1.00 0.80 N ATOM 0 HA HIS A 60 -3.860 14.849 1.785 1.00 0.41 H new ATOM 0 HB2 HIS A 60 -4.558 17.028 0.955 1.00 0.56 H new ATOM 0 HB3 HIS A 60 -3.155 17.139 -0.090 1.00 0.56 H new ATOM 0 HD1 HIS A 60 -6.633 16.016 0.040 1.00 1.10 H new ATOM 0 HD2 HIS A 60 -3.198 15.236 -2.287 1.00 0.48 H new ATOM 0 HE1 HIS A 60 -7.412 14.916 -2.117 1.00 1.30 H new ATOM 0 HE2 HIS A 60 -5.349 14.429 -3.549 1.00 0.80 H new ATOM 429 N SER A 61 -1.040 14.894 0.149 1.00 0.33 N ATOM 430 CA SER A 61 -0.119 14.101 -0.656 1.00 0.40 C ATOM 431 C SER A 61 0.427 12.917 0.137 1.00 0.29 C ATOM 432 O SER A 61 1.149 12.081 -0.407 1.00 0.28 O ATOM 433 CB SER A 61 1.034 14.974 -1.151 1.00 0.58 C ATOM 434 OG SER A 61 1.945 14.222 -1.934 1.00 1.58 O ATOM 0 H SER A 61 -0.640 15.758 0.515 1.00 0.33 H new ATOM 0 HA SER A 61 -0.669 13.712 -1.513 1.00 0.40 H new ATOM 0 HB2 SER A 61 0.640 15.802 -1.741 1.00 0.58 H new ATOM 0 HB3 SER A 61 1.556 15.410 -0.299 1.00 0.58 H new ATOM 0 HG SER A 61 1.935 13.287 -1.640 1.00 1.58 H new ATOM 440 N ALA A 62 0.084 12.848 1.419 1.00 0.26 N ATOM 441 CA ALA A 62 0.546 11.757 2.271 1.00 0.24 C ATOM 442 C ALA A 62 -0.329 10.525 2.082 1.00 0.19 C ATOM 443 O ALA A 62 0.170 9.419 1.882 1.00 0.21 O ATOM 444 CB ALA A 62 0.553 12.186 3.731 1.00 0.33 C ATOM 0 H ALA A 62 -0.510 13.531 1.890 1.00 0.26 H new ATOM 0 HA ALA A 62 1.566 11.503 1.982 1.00 0.24 H new ATOM 0 HB1 ALA A 62 0.900 11.360 4.351 1.00 0.33 H new ATOM 0 HB2 ALA A 62 1.220 13.039 3.856 1.00 0.33 H new ATOM 0 HB3 ALA A 62 -0.456 12.467 4.033 1.00 0.33 H new ATOM 450 N VAL A 63 -1.640 10.731 2.145 1.00 0.18 N ATOM 451 CA VAL A 63 -2.599 9.646 1.968 1.00 0.16 C ATOM 452 C VAL A 63 -2.569 9.145 0.530 1.00 0.15 C ATOM 453 O VAL A 63 -2.661 7.944 0.272 1.00 0.18 O ATOM 454 CB VAL A 63 -4.040 10.091 2.330 1.00 0.17 C ATOM 455 CG1 VAL A 63 -4.226 11.585 2.108 1.00 0.21 C ATOM 456 CG2 VAL A 63 -5.078 9.309 1.534 1.00 0.19 C ATOM 0 H VAL A 63 -2.064 11.642 2.318 1.00 0.18 H new ATOM 0 HA VAL A 63 -2.310 8.841 2.644 1.00 0.16 H new ATOM 0 HB VAL A 63 -4.188 9.878 3.389 1.00 0.17 H new ATOM 0 HG11 VAL A 63 -5.246 11.868 2.370 1.00 0.21 H new ATOM 0 HG12 VAL A 63 -3.524 12.136 2.734 1.00 0.21 H new ATOM 0 HG13 VAL A 63 -4.042 11.823 1.060 1.00 0.21 H new ATOM 0 HG21 VAL A 63 -6.077 9.645 1.811 1.00 0.19 H new ATOM 0 HG22 VAL A 63 -4.921 9.477 0.468 1.00 0.19 H new ATOM 0 HG23 VAL A 63 -4.979 8.246 1.753 1.00 0.19 H new ATOM 466 N LEU A 64 -2.441 10.083 -0.397 1.00 0.16 N ATOM 467 CA LEU A 64 -2.395 9.761 -1.819 1.00 0.18 C ATOM 468 C LEU A 64 -1.147 8.943 -2.162 1.00 0.20 C ATOM 469 O LEU A 64 -1.246 7.849 -2.717 1.00 0.24 O ATOM 470 CB LEU A 64 -2.436 11.056 -2.644 1.00 0.17 C ATOM 471 CG LEU A 64 -2.929 10.927 -4.095 1.00 0.17 C ATOM 472 CD1 LEU A 64 -1.779 10.608 -5.037 1.00 0.23 C ATOM 473 CD2 LEU A 64 -4.022 9.873 -4.211 1.00 0.24 C ATOM 0 H LEU A 64 -2.367 11.079 -0.190 1.00 0.16 H new ATOM 0 HA LEU A 64 -3.265 9.152 -2.065 1.00 0.18 H new ATOM 0 HB2 LEU A 64 -3.077 11.770 -2.127 1.00 0.17 H new ATOM 0 HB3 LEU A 64 -1.433 11.482 -2.661 1.00 0.17 H new ATOM 0 HG LEU A 64 -3.351 11.889 -4.386 1.00 0.17 H new ATOM 0 HD11 LEU A 64 -2.156 10.522 -6.056 1.00 0.23 H new ATOM 0 HD12 LEU A 64 -1.038 11.406 -4.990 1.00 0.23 H new ATOM 0 HD13 LEU A 64 -1.317 9.666 -4.741 1.00 0.23 H new ATOM 0 HD21 LEU A 64 -4.352 9.803 -5.248 1.00 0.24 H new ATOM 0 HD22 LEU A 64 -3.632 8.908 -3.888 1.00 0.24 H new ATOM 0 HD23 LEU A 64 -4.866 10.153 -3.580 1.00 0.24 H new ATOM 485 N GLU A 65 0.023 9.483 -1.829 1.00 0.19 N ATOM 486 CA GLU A 65 1.295 8.808 -2.098 1.00 0.22 C ATOM 487 C GLU A 65 1.375 7.453 -1.389 1.00 0.20 C ATOM 488 O GLU A 65 1.798 6.457 -1.977 1.00 0.21 O ATOM 489 CB GLU A 65 2.460 9.695 -1.653 1.00 0.23 C ATOM 490 CG GLU A 65 3.828 9.074 -1.886 1.00 0.32 C ATOM 491 CD GLU A 65 4.138 8.882 -3.359 1.00 1.32 C ATOM 492 OE1 GLU A 65 3.742 7.837 -3.917 1.00 2.32 O ATOM 493 OE2 GLU A 65 4.776 9.776 -3.952 1.00 1.65 O ATOM 0 H GLU A 65 0.119 10.389 -1.371 1.00 0.19 H new ATOM 0 HA GLU A 65 1.358 8.630 -3.172 1.00 0.22 H new ATOM 0 HB2 GLU A 65 2.406 10.644 -2.187 1.00 0.23 H new ATOM 0 HB3 GLU A 65 2.349 9.919 -0.592 1.00 0.23 H new ATOM 0 HG2 GLU A 65 4.592 9.709 -1.437 1.00 0.32 H new ATOM 0 HG3 GLU A 65 3.876 8.110 -1.380 1.00 0.32 H new ATOM 500 N ALA A 66 0.958 7.429 -0.130 1.00 0.18 N ATOM 501 CA ALA A 66 0.992 6.203 0.667 1.00 0.16 C ATOM 502 C ALA A 66 0.055 5.153 0.094 1.00 0.22 C ATOM 503 O ALA A 66 0.423 3.985 -0.033 1.00 0.29 O ATOM 504 CB ALA A 66 0.627 6.495 2.114 1.00 0.16 C ATOM 0 H ALA A 66 0.592 8.243 0.364 1.00 0.18 H new ATOM 0 HA ALA A 66 2.009 5.811 0.633 1.00 0.16 H new ATOM 0 HB1 ALA A 66 0.658 5.571 2.691 1.00 0.16 H new ATOM 0 HB2 ALA A 66 1.338 7.207 2.532 1.00 0.16 H new ATOM 0 HB3 ALA A 66 -0.377 6.917 2.158 1.00 0.16 H new ATOM 510 N GLY A 67 -1.158 5.571 -0.247 1.00 0.29 N ATOM 511 CA GLY A 67 -2.123 4.643 -0.800 1.00 0.40 C ATOM 512 C GLY A 67 -1.674 4.056 -2.119 1.00 0.26 C ATOM 513 O GLY A 67 -2.018 2.919 -2.438 1.00 0.25 O ATOM 0 H GLY A 67 -1.489 6.531 -0.151 1.00 0.29 H new ATOM 0 HA2 GLY A 67 -2.296 3.836 -0.087 1.00 0.40 H new ATOM 0 HA3 GLY A 67 -3.075 5.155 -0.939 1.00 0.40 H new ATOM 517 N LYS A 68 -0.914 4.822 -2.896 1.00 0.21 N ATOM 518 CA LYS A 68 -0.392 4.320 -4.157 1.00 0.15 C ATOM 519 C LYS A 68 0.537 3.152 -3.863 1.00 0.16 C ATOM 520 O LYS A 68 0.492 2.110 -4.517 1.00 0.21 O ATOM 521 CB LYS A 68 0.371 5.418 -4.901 1.00 0.18 C ATOM 522 CG LYS A 68 0.040 5.484 -6.381 1.00 0.66 C ATOM 523 CD LYS A 68 -1.385 5.955 -6.599 1.00 0.65 C ATOM 524 CE LYS A 68 -1.483 7.464 -6.486 1.00 0.73 C ATOM 525 NZ LYS A 68 -2.863 7.955 -6.755 1.00 0.83 N ATOM 0 H LYS A 68 -0.650 5.782 -2.676 1.00 0.21 H new ATOM 0 HA LYS A 68 -1.218 3.995 -4.789 1.00 0.15 H new ATOM 0 HB2 LYS A 68 0.146 6.381 -4.443 1.00 0.18 H new ATOM 0 HB3 LYS A 68 1.442 5.251 -4.783 1.00 0.18 H new ATOM 0 HG2 LYS A 68 0.731 6.162 -6.882 1.00 0.66 H new ATOM 0 HG3 LYS A 68 0.175 4.501 -6.832 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -1.730 5.637 -7.583 1.00 0.65 H new ATOM 0 HD3 LYS A 68 -2.042 5.489 -5.865 1.00 0.65 H new ATOM 0 HE2 LYS A 68 -1.176 7.773 -5.487 1.00 0.73 H new ATOM 0 HE3 LYS A 68 -0.790 7.926 -7.189 1.00 0.73 H new ATOM 0 HZ1 LYS A 68 -3.022 8.843 -6.238 1.00 0.83 H new ATOM 0 HZ2 LYS A 68 -2.979 8.123 -7.775 1.00 0.83 H new ATOM 0 HZ3 LYS A 68 -3.552 7.243 -6.440 1.00 0.83 H new ATOM 539 N ASN A 69 1.376 3.353 -2.852 1.00 0.16 N ATOM 540 CA ASN A 69 2.321 2.341 -2.406 1.00 0.19 C ATOM 541 C ASN A 69 1.578 1.109 -1.897 1.00 0.20 C ATOM 542 O ASN A 69 1.992 -0.025 -2.131 1.00 0.23 O ATOM 543 CB ASN A 69 3.206 2.920 -1.298 1.00 0.21 C ATOM 544 CG ASN A 69 4.423 3.641 -1.842 1.00 0.25 C ATOM 545 OD1 ASN A 69 5.468 3.032 -2.076 1.00 0.53 O ATOM 546 ND2 ASN A 69 4.296 4.947 -2.043 1.00 0.30 N ATOM 0 H ASN A 69 1.418 4.222 -2.320 1.00 0.16 H new ATOM 0 HA ASN A 69 2.947 2.042 -3.247 1.00 0.19 H new ATOM 0 HB2 ASN A 69 2.619 3.611 -0.693 1.00 0.21 H new ATOM 0 HB3 ASN A 69 3.530 2.115 -0.639 1.00 0.21 H new ATOM 0 HD21 ASN A 69 5.083 5.486 -2.405 1.00 0.30 H new ATOM 0 HD22 ASN A 69 3.412 5.411 -1.836 1.00 0.30 H new ATOM 553 N LEU A 70 0.468 1.355 -1.207 1.00 0.20 N ATOM 554 CA LEU A 70 -0.361 0.292 -0.646 1.00 0.21 C ATOM 555 C LEU A 70 -0.995 -0.545 -1.746 1.00 0.19 C ATOM 556 O LEU A 70 -0.926 -1.774 -1.719 1.00 0.21 O ATOM 557 CB LEU A 70 -1.455 0.928 0.207 1.00 0.24 C ATOM 558 CG LEU A 70 -2.480 -0.013 0.865 1.00 0.28 C ATOM 559 CD1 LEU A 70 -3.413 -0.612 -0.148 1.00 1.00 C ATOM 560 CD2 LEU A 70 -1.810 -1.125 1.634 1.00 1.41 C ATOM 0 H LEU A 70 0.118 2.295 -1.021 1.00 0.20 H new ATOM 0 HA LEU A 70 0.264 -0.364 -0.040 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -0.973 1.505 0.996 1.00 0.24 H new ATOM 0 HB3 LEU A 70 -2.000 1.635 -0.418 1.00 0.24 H new ATOM 0 HG LEU A 70 -3.053 0.602 1.559 1.00 0.28 H new ATOM 0 HD11 LEU A 70 -4.122 -1.270 0.355 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -3.956 0.184 -0.658 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -2.840 -1.185 -0.877 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -2.569 -1.766 2.082 1.00 1.41 H new ATOM 0 HD22 LEU A 70 -1.191 -1.714 0.957 1.00 1.41 H new ATOM 0 HD23 LEU A 70 -1.185 -0.699 2.419 1.00 1.41 H new ATOM 572 N TYR A 71 -1.620 0.129 -2.711 1.00 0.15 N ATOM 573 CA TYR A 71 -2.264 -0.564 -3.818 1.00 0.14 C ATOM 574 C TYR A 71 -1.256 -1.495 -4.462 1.00 0.14 C ATOM 575 O TYR A 71 -1.592 -2.590 -4.917 1.00 0.16 O ATOM 576 CB TYR A 71 -2.812 0.436 -4.852 1.00 0.14 C ATOM 577 CG TYR A 71 -2.954 -0.143 -6.244 1.00 0.13 C ATOM 578 CD1 TYR A 71 -4.126 -0.777 -6.641 1.00 0.75 C ATOM 579 CD2 TYR A 71 -1.918 -0.048 -7.165 1.00 0.71 C ATOM 580 CE1 TYR A 71 -4.260 -1.301 -7.913 1.00 0.75 C ATOM 581 CE2 TYR A 71 -2.045 -0.567 -8.440 1.00 0.72 C ATOM 582 CZ TYR A 71 -3.209 -1.221 -8.797 1.00 0.16 C ATOM 583 OH TYR A 71 -3.347 -1.711 -10.076 1.00 0.19 O ATOM 0 H TYR A 71 -1.692 1.146 -2.746 1.00 0.15 H new ATOM 0 HA TYR A 71 -3.109 -1.139 -3.440 1.00 0.14 H new ATOM 0 HB2 TYR A 71 -3.785 0.795 -4.517 1.00 0.14 H new ATOM 0 HB3 TYR A 71 -2.150 1.301 -4.894 1.00 0.14 H new ATOM 0 HD1 TYR A 71 -4.946 -0.862 -5.943 1.00 0.75 H new ATOM 0 HD2 TYR A 71 -0.998 0.440 -6.880 1.00 0.71 H new ATOM 0 HE1 TYR A 71 -5.185 -1.771 -8.211 1.00 0.75 H new ATOM 0 HE2 TYR A 71 -1.240 -0.462 -9.152 1.00 0.72 H new ATOM 0 HH TYR A 71 -2.512 -1.575 -10.570 1.00 0.19 H new ATOM 593 N SER A 72 -0.009 -1.047 -4.478 1.00 0.14 N ATOM 594 CA SER A 72 1.062 -1.826 -5.057 1.00 0.17 C ATOM 595 C SER A 72 1.355 -3.071 -4.230 1.00 0.13 C ATOM 596 O SER A 72 1.441 -4.163 -4.788 1.00 0.32 O ATOM 597 CB SER A 72 2.325 -0.987 -5.213 1.00 0.29 C ATOM 598 OG SER A 72 2.026 0.298 -5.730 1.00 1.13 O ATOM 0 H SER A 72 0.280 -0.147 -4.095 1.00 0.14 H new ATOM 0 HA SER A 72 0.733 -2.146 -6.046 1.00 0.17 H new ATOM 0 HB2 SER A 72 2.820 -0.887 -4.247 1.00 0.29 H new ATOM 0 HB3 SER A 72 3.023 -1.496 -5.878 1.00 0.29 H new ATOM 0 HG SER A 72 1.713 0.878 -5.004 1.00 1.13 H new ATOM 604 N PHE A 73 1.528 -2.939 -2.905 1.00 0.20 N ATOM 605 CA PHE A 73 1.814 -4.116 -2.086 1.00 0.17 C ATOM 606 C PHE A 73 0.720 -5.155 -2.245 1.00 0.13 C ATOM 607 O PHE A 73 0.993 -6.348 -2.381 1.00 0.15 O ATOM 608 CB PHE A 73 1.953 -3.733 -0.610 1.00 0.24 C ATOM 609 CG PHE A 73 2.894 -2.587 -0.364 1.00 0.24 C ATOM 610 CD1 PHE A 73 4.171 -2.604 -0.896 1.00 0.27 C ATOM 611 CD2 PHE A 73 2.505 -1.498 0.401 1.00 0.23 C ATOM 612 CE1 PHE A 73 5.045 -1.558 -0.673 1.00 0.28 C ATOM 613 CE2 PHE A 73 3.375 -0.447 0.628 1.00 0.23 C ATOM 614 CZ PHE A 73 4.619 -0.456 0.094 1.00 0.26 C ATOM 0 H PHE A 73 1.476 -2.057 -2.396 1.00 0.20 H new ATOM 0 HA PHE A 73 2.758 -4.539 -2.428 1.00 0.17 H new ATOM 0 HB2 PHE A 73 0.970 -3.473 -0.218 1.00 0.24 H new ATOM 0 HB3 PHE A 73 2.300 -4.602 -0.050 1.00 0.24 H new ATOM 0 HD1 PHE A 73 4.489 -3.446 -1.493 1.00 0.27 H new ATOM 0 HD2 PHE A 73 1.512 -1.470 0.824 1.00 0.23 H new ATOM 0 HE1 PHE A 73 6.044 -1.585 -1.082 1.00 0.28 H new ATOM 0 HE2 PHE A 73 3.059 0.388 1.236 1.00 0.23 H new ATOM 0 HZ PHE A 73 5.283 0.380 0.256 1.00 0.26 H new ATOM 624 N CYS A 74 -0.520 -4.692 -2.229 1.00 0.15 N ATOM 625 CA CYS A 74 -1.658 -5.570 -2.401 1.00 0.20 C ATOM 626 C CYS A 74 -1.582 -6.256 -3.763 1.00 0.16 C ATOM 627 O CYS A 74 -2.061 -7.376 -3.939 1.00 0.27 O ATOM 628 CB CYS A 74 -2.948 -4.758 -2.297 1.00 0.31 C ATOM 629 SG CYS A 74 -3.957 -5.143 -0.850 1.00 0.90 S ATOM 0 H CYS A 74 -0.760 -3.709 -2.098 1.00 0.15 H new ATOM 0 HA CYS A 74 -1.649 -6.332 -1.621 1.00 0.20 H new ATOM 0 HB2 CYS A 74 -2.695 -3.698 -2.277 1.00 0.31 H new ATOM 0 HB3 CYS A 74 -3.543 -4.927 -3.195 1.00 0.31 H new ATOM 0 HG CYS A 74 -4.608 -6.249 -1.057 1.00 0.90 H new ATOM 635 N VAL A 75 -0.964 -5.565 -4.719 1.00 0.25 N ATOM 636 CA VAL A 75 -0.806 -6.070 -6.078 1.00 0.28 C ATOM 637 C VAL A 75 0.181 -7.241 -6.127 1.00 0.27 C ATOM 638 O VAL A 75 -0.002 -8.187 -6.893 1.00 0.29 O ATOM 639 CB VAL A 75 -0.321 -4.930 -7.011 1.00 0.37 C ATOM 640 CG1 VAL A 75 1.028 -5.247 -7.639 1.00 0.38 C ATOM 641 CG2 VAL A 75 -1.349 -4.624 -8.083 1.00 0.43 C ATOM 0 H VAL A 75 -0.560 -4.640 -4.572 1.00 0.25 H new ATOM 0 HA VAL A 75 -1.776 -6.432 -6.419 1.00 0.28 H new ATOM 0 HB VAL A 75 -0.197 -4.042 -6.391 1.00 0.37 H new ATOM 0 HG11 VAL A 75 1.331 -4.423 -8.285 1.00 0.38 H new ATOM 0 HG12 VAL A 75 1.771 -5.385 -6.854 1.00 0.38 H new ATOM 0 HG13 VAL A 75 0.949 -6.160 -8.229 1.00 0.38 H new ATOM 0 HG21 VAL A 75 -0.981 -3.821 -8.721 1.00 0.43 H new ATOM 0 HG22 VAL A 75 -1.523 -5.516 -8.685 1.00 0.43 H new ATOM 0 HG23 VAL A 75 -2.283 -4.315 -7.614 1.00 0.43 H new ATOM 651 N SER A 76 1.230 -7.161 -5.316 1.00 0.27 N ATOM 652 CA SER A 76 2.244 -8.211 -5.271 1.00 0.28 C ATOM 653 C SER A 76 1.881 -9.277 -4.242 1.00 0.23 C ATOM 654 O SER A 76 2.519 -10.327 -4.169 1.00 0.26 O ATOM 655 CB SER A 76 3.612 -7.614 -4.941 1.00 0.32 C ATOM 656 OG SER A 76 4.611 -8.618 -4.896 1.00 0.90 O ATOM 0 H SER A 76 1.401 -6.381 -4.681 1.00 0.27 H new ATOM 0 HA SER A 76 2.287 -8.681 -6.254 1.00 0.28 H new ATOM 0 HB2 SER A 76 3.876 -6.867 -5.690 1.00 0.32 H new ATOM 0 HB3 SER A 76 3.566 -7.100 -3.981 1.00 0.32 H new ATOM 0 HG SER A 76 4.191 -9.491 -4.751 1.00 0.90 H new ATOM 662 N TYR A 77 0.853 -8.997 -3.453 1.00 0.18 N ATOM 663 CA TYR A 77 0.403 -9.922 -2.421 1.00 0.16 C ATOM 664 C TYR A 77 -0.734 -10.816 -2.922 1.00 0.17 C ATOM 665 O TYR A 77 -0.880 -11.953 -2.471 1.00 0.20 O ATOM 666 CB TYR A 77 -0.021 -9.131 -1.179 1.00 0.16 C ATOM 667 CG TYR A 77 -1.137 -9.759 -0.383 1.00 0.15 C ATOM 668 CD1 TYR A 77 -0.897 -10.875 0.402 1.00 0.17 C ATOM 669 CD2 TYR A 77 -2.426 -9.245 -0.420 1.00 0.20 C ATOM 670 CE1 TYR A 77 -1.907 -11.462 1.130 1.00 0.19 C ATOM 671 CE2 TYR A 77 -3.444 -9.826 0.308 1.00 0.22 C ATOM 672 CZ TYR A 77 -3.201 -10.895 1.084 1.00 0.21 C ATOM 673 OH TYR A 77 -4.190 -11.519 1.810 1.00 0.25 O ATOM 0 H TYR A 77 0.313 -8.133 -3.508 1.00 0.18 H new ATOM 0 HA TYR A 77 1.230 -10.582 -2.159 1.00 0.16 H new ATOM 0 HB2 TYR A 77 0.846 -9.008 -0.530 1.00 0.16 H new ATOM 0 HB3 TYR A 77 -0.331 -8.133 -1.489 1.00 0.16 H new ATOM 0 HD1 TYR A 77 0.099 -11.291 0.443 1.00 0.17 H new ATOM 0 HD2 TYR A 77 -2.635 -8.377 -1.028 1.00 0.20 H new ATOM 0 HE1 TYR A 77 -1.714 -12.341 1.727 1.00 0.19 H new ATOM 0 HE2 TYR A 77 -4.443 -9.419 0.253 1.00 0.22 H new ATOM 0 HH TYR A 77 -3.795 -11.953 2.595 1.00 0.25 H new ATOM 683 N VAL A 78 -1.534 -10.305 -3.856 1.00 0.19 N ATOM 684 CA VAL A 78 -2.643 -11.074 -4.415 1.00 0.25 C ATOM 685 C VAL A 78 -2.139 -12.328 -5.119 1.00 0.27 C ATOM 686 O VAL A 78 -2.916 -13.213 -5.477 1.00 0.25 O ATOM 687 CB VAL A 78 -3.477 -10.237 -5.400 1.00 0.33 C ATOM 688 CG1 VAL A 78 -4.377 -9.283 -4.645 1.00 0.98 C ATOM 689 CG2 VAL A 78 -2.578 -9.485 -6.368 1.00 0.72 C ATOM 0 H VAL A 78 -1.435 -9.365 -4.240 1.00 0.19 H new ATOM 0 HA VAL A 78 -3.280 -11.362 -3.578 1.00 0.25 H new ATOM 0 HB VAL A 78 -4.103 -10.912 -5.984 1.00 0.33 H new ATOM 0 HG11 VAL A 78 -4.962 -8.697 -5.354 1.00 0.98 H new ATOM 0 HG12 VAL A 78 -5.049 -9.850 -4.001 1.00 0.98 H new ATOM 0 HG13 VAL A 78 -3.769 -8.614 -4.036 1.00 0.98 H new ATOM 0 HG21 VAL A 78 -3.191 -8.901 -7.054 1.00 0.72 H new ATOM 0 HG22 VAL A 78 -1.921 -8.818 -5.811 1.00 0.72 H new ATOM 0 HG23 VAL A 78 -1.977 -10.197 -6.934 1.00 0.72 H new ATOM 699 N ASP A 79 -0.830 -12.387 -5.325 1.00 0.36 N ATOM 700 CA ASP A 79 -0.204 -13.535 -5.962 1.00 0.41 C ATOM 701 C ASP A 79 -0.028 -14.659 -4.947 1.00 0.43 C ATOM 702 O ASP A 79 0.620 -15.670 -5.221 1.00 0.51 O ATOM 703 CB ASP A 79 1.151 -13.140 -6.557 1.00 0.48 C ATOM 704 CG ASP A 79 1.767 -14.246 -7.392 1.00 0.68 C ATOM 705 OD1 ASP A 79 1.355 -14.408 -8.560 1.00 0.93 O ATOM 706 OD2 ASP A 79 2.659 -14.953 -6.877 1.00 1.31 O ATOM 0 H ASP A 79 -0.179 -11.648 -5.058 1.00 0.36 H new ATOM 0 HA ASP A 79 -0.847 -13.885 -6.769 1.00 0.41 H new ATOM 0 HB2 ASP A 79 1.027 -12.250 -7.174 1.00 0.48 H new ATOM 0 HB3 ASP A 79 1.835 -12.875 -5.750 1.00 0.48 H new ATOM 711 N SER A 80 -0.618 -14.470 -3.768 1.00 0.41 N ATOM 712 CA SER A 80 -0.532 -15.448 -2.698 1.00 0.46 C ATOM 713 C SER A 80 -1.915 -15.988 -2.349 1.00 0.42 C ATOM 714 O SER A 80 -2.045 -16.942 -1.583 1.00 0.46 O ATOM 715 CB SER A 80 0.109 -14.813 -1.465 1.00 0.52 C ATOM 716 OG SER A 80 1.481 -14.536 -1.686 1.00 1.49 O ATOM 0 H SER A 80 -1.163 -13.640 -3.534 1.00 0.41 H new ATOM 0 HA SER A 80 0.086 -16.280 -3.036 1.00 0.46 H new ATOM 0 HB2 SER A 80 -0.415 -13.891 -1.214 1.00 0.52 H new ATOM 0 HB3 SER A 80 0.003 -15.483 -0.611 1.00 0.52 H new ATOM 0 HG SER A 80 1.866 -14.129 -0.882 1.00 1.49 H new ATOM 722 N ILE A 81 -2.947 -15.367 -2.917 1.00 0.38 N ATOM 723 CA ILE A 81 -4.320 -15.782 -2.677 1.00 0.38 C ATOM 724 C ILE A 81 -4.517 -17.250 -3.047 1.00 0.51 C ATOM 725 O ILE A 81 -4.560 -17.596 -4.228 1.00 1.39 O ATOM 726 CB ILE A 81 -5.297 -14.926 -3.506 1.00 0.29 C ATOM 727 CG1 ILE A 81 -5.008 -13.433 -3.315 1.00 0.33 C ATOM 728 CG2 ILE A 81 -6.737 -15.244 -3.138 1.00 0.40 C ATOM 729 CD1 ILE A 81 -5.102 -12.956 -1.881 1.00 0.56 C ATOM 0 H ILE A 81 -2.853 -14.572 -3.549 1.00 0.38 H new ATOM 0 HA ILE A 81 -4.523 -15.646 -1.615 1.00 0.38 H new ATOM 0 HB ILE A 81 -5.152 -15.170 -4.558 1.00 0.29 H new ATOM 0 HG12 ILE A 81 -4.008 -13.218 -3.692 1.00 0.33 H new ATOM 0 HG13 ILE A 81 -5.708 -12.859 -3.923 1.00 0.33 H new ATOM 0 HG21 ILE A 81 -7.410 -14.628 -3.735 1.00 0.40 H new ATOM 0 HG22 ILE A 81 -6.939 -16.297 -3.334 1.00 0.40 H new ATOM 0 HG23 ILE A 81 -6.897 -15.035 -2.080 1.00 0.40 H new ATOM 0 HD11 ILE A 81 -4.883 -11.889 -1.837 1.00 0.56 H new ATOM 0 HD12 ILE A 81 -6.109 -13.135 -1.503 1.00 0.56 H new ATOM 0 HD13 ILE A 81 -4.382 -13.500 -1.269 1.00 0.56 H new ATOM 741 N GLN A 82 -4.637 -18.114 -2.038 1.00 0.92 N ATOM 742 CA GLN A 82 -4.831 -19.538 -2.291 1.00 0.92 C ATOM 743 C GLN A 82 -6.194 -19.777 -2.911 1.00 0.93 C ATOM 744 O GLN A 82 -6.320 -20.489 -3.907 1.00 1.11 O ATOM 745 CB GLN A 82 -4.697 -20.362 -1.008 1.00 0.98 C ATOM 746 CG GLN A 82 -5.785 -20.068 -0.001 1.00 1.54 C ATOM 747 CD GLN A 82 -6.953 -21.052 -0.048 1.00 1.78 C ATOM 748 OE1 GLN A 82 -7.217 -21.636 -1.219 1.00 2.55 O flip ATOM 749 NE2 GLN A 82 -7.612 -21.287 0.964 1.00 1.43 N flip ATOM 0 H GLN A 82 -4.604 -17.856 -1.052 1.00 0.92 H new ATOM 0 HA GLN A 82 -4.052 -19.859 -2.983 1.00 0.92 H new ATOM 0 HB2 GLN A 82 -4.719 -21.422 -1.260 1.00 0.98 H new ATOM 0 HB3 GLN A 82 -3.726 -20.163 -0.554 1.00 0.98 H new ATOM 0 HG2 GLN A 82 -5.353 -20.079 1.000 1.00 1.54 H new ATOM 0 HG3 GLN A 82 -6.164 -19.061 -0.174 1.00 1.54 H new ATOM 0 HE21 GLN A 82 -7.382 -20.822 1.842 1.00 1.43 H new ATOM 0 HE22 GLN A 82 -8.389 -21.947 0.925 1.00 1.43 H new ATOM 758 N GLN A 83 -7.218 -19.184 -2.303 1.00 0.85 N ATOM 759 CA GLN A 83 -8.570 -19.330 -2.767 1.00 0.93 C ATOM 760 C GLN A 83 -8.684 -18.831 -4.191 1.00 0.96 C ATOM 761 O GLN A 83 -7.687 -18.464 -4.815 1.00 1.85 O ATOM 762 CB GLN A 83 -9.519 -18.578 -1.841 1.00 0.93 C ATOM 763 CG GLN A 83 -9.712 -19.250 -0.492 1.00 1.39 C ATOM 764 CD GLN A 83 -10.627 -18.470 0.433 1.00 2.06 C ATOM 765 OE1 GLN A 83 -11.616 -17.796 -0.139 1.00 2.56 O flip ATOM 766 NE2 GLN A 83 -10.451 -18.483 1.652 1.00 2.55 N flip ATOM 0 H GLN A 83 -7.121 -18.593 -1.478 1.00 0.85 H new ATOM 0 HA GLN A 83 -8.847 -20.384 -2.755 1.00 0.93 H new ATOM 0 HB2 GLN A 83 -9.137 -17.569 -1.684 1.00 0.93 H new ATOM 0 HB3 GLN A 83 -10.488 -18.479 -2.330 1.00 0.93 H new ATOM 0 HG2 GLN A 83 -10.124 -20.248 -0.645 1.00 1.39 H new ATOM 0 HG3 GLN A 83 -8.741 -19.376 -0.013 1.00 1.39 H new ATOM 0 HE21 GLN A 83 -9.677 -19.015 2.050 1.00 2.55 H new ATOM 0 HE22 GLN A 83 -11.079 -17.962 2.264 1.00 2.55 H new ATOM 775 N MET A 84 -9.894 -18.803 -4.705 1.00 0.95 N ATOM 776 CA MET A 84 -10.096 -18.389 -6.074 1.00 0.91 C ATOM 777 C MET A 84 -11.480 -17.788 -6.279 1.00 0.86 C ATOM 778 O MET A 84 -11.634 -16.798 -6.994 1.00 0.93 O ATOM 779 CB MET A 84 -9.872 -19.601 -6.967 1.00 1.14 C ATOM 780 CG MET A 84 -10.112 -20.920 -6.243 1.00 1.34 C ATOM 781 SD MET A 84 -10.657 -22.237 -7.346 1.00 1.97 S ATOM 782 CE MET A 84 -12.230 -21.585 -7.900 1.00 2.71 C ATOM 0 H MET A 84 -10.743 -19.059 -4.202 1.00 0.95 H new ATOM 0 HA MET A 84 -9.386 -17.603 -6.332 1.00 0.91 H new ATOM 0 HB2 MET A 84 -10.536 -19.539 -7.829 1.00 1.14 H new ATOM 0 HB3 MET A 84 -8.851 -19.582 -7.349 1.00 1.14 H new ATOM 0 HG2 MET A 84 -9.193 -21.228 -5.745 1.00 1.34 H new ATOM 0 HG3 MET A 84 -10.861 -20.771 -5.466 1.00 1.34 H new ATOM 0 HE1 MET A 84 -12.896 -22.409 -8.154 1.00 2.71 H new ATOM 0 HE2 MET A 84 -12.677 -20.989 -7.104 1.00 2.71 H new ATOM 0 HE3 MET A 84 -12.075 -20.959 -8.779 1.00 2.71 H new ATOM 792 N ARG A 85 -12.484 -18.390 -5.653 1.00 0.91 N ATOM 793 CA ARG A 85 -13.844 -17.881 -5.748 1.00 0.92 C ATOM 794 C ARG A 85 -13.962 -16.616 -4.905 1.00 0.87 C ATOM 795 O ARG A 85 -15.007 -15.968 -4.856 1.00 1.16 O ATOM 796 CB ARG A 85 -14.844 -18.940 -5.274 1.00 1.03 C ATOM 797 CG ARG A 85 -16.296 -18.518 -5.412 1.00 1.44 C ATOM 798 CD ARG A 85 -17.240 -19.672 -5.121 1.00 1.51 C ATOM 799 NE ARG A 85 -17.050 -20.211 -3.778 1.00 1.72 N ATOM 800 CZ ARG A 85 -17.320 -21.469 -3.442 1.00 1.89 C ATOM 801 NH1 ARG A 85 -17.785 -22.317 -4.351 1.00 1.65 N ATOM 802 NH2 ARG A 85 -17.123 -21.882 -2.197 1.00 2.78 N ATOM 0 H ARG A 85 -12.382 -19.226 -5.078 1.00 0.91 H new ATOM 0 HA ARG A 85 -14.073 -17.644 -6.787 1.00 0.92 H new ATOM 0 HB2 ARG A 85 -14.686 -19.856 -5.843 1.00 1.03 H new ATOM 0 HB3 ARG A 85 -14.642 -19.175 -4.229 1.00 1.03 H new ATOM 0 HG2 ARG A 85 -16.504 -17.695 -4.728 1.00 1.44 H new ATOM 0 HG3 ARG A 85 -16.474 -18.146 -6.421 1.00 1.44 H new ATOM 0 HD2 ARG A 85 -18.270 -19.334 -5.233 1.00 1.51 H new ATOM 0 HD3 ARG A 85 -17.082 -20.463 -5.854 1.00 1.51 H new ATOM 0 HE ARG A 85 -16.690 -19.587 -3.056 1.00 1.72 H new ATOM 0 HH11 ARG A 85 -17.936 -22.004 -5.310 1.00 1.65 H new ATOM 0 HH12 ARG A 85 -17.991 -23.281 -4.091 1.00 1.65 H new ATOM 0 HH21 ARG A 85 -16.764 -21.234 -1.496 1.00 2.78 H new ATOM 0 HH22 ARG A 85 -17.331 -22.847 -1.941 1.00 2.78 H new ATOM 816 N ASN A 86 -12.855 -16.273 -4.249 1.00 0.63 N ATOM 817 CA ASN A 86 -12.785 -15.099 -3.394 1.00 0.62 C ATOM 818 C ASN A 86 -11.792 -14.084 -3.955 1.00 0.53 C ATOM 819 O ASN A 86 -11.891 -12.887 -3.684 1.00 0.53 O ATOM 820 CB ASN A 86 -12.349 -15.514 -1.988 1.00 0.78 C ATOM 821 CG ASN A 86 -10.844 -15.487 -1.822 1.00 1.65 C ATOM 822 OD1 ASN A 86 -10.129 -16.037 -2.799 1.00 2.49 O flip ATOM 823 ND2 ASN A 86 -10.331 -14.983 -0.827 1.00 1.68 N flip ATOM 0 H ASN A 86 -11.985 -16.803 -4.298 1.00 0.63 H new ATOM 0 HA ASN A 86 -13.772 -14.638 -3.354 1.00 0.62 H new ATOM 0 HB2 ASN A 86 -12.805 -14.847 -1.257 1.00 0.78 H new ATOM 0 HB3 ASN A 86 -12.718 -16.518 -1.777 1.00 0.78 H new ATOM 0 HD21 ASN A 86 -10.920 -14.572 -0.102 1.00 1.68 H new ATOM 0 HD22 ASN A 86 -9.316 -14.975 -0.725 1.00 1.68 H new ATOM 830 N LYS A 87 -10.825 -14.583 -4.725 1.00 0.53 N ATOM 831 CA LYS A 87 -9.797 -13.748 -5.325 1.00 0.56 C ATOM 832 C LYS A 87 -10.401 -12.499 -5.947 1.00 0.45 C ATOM 833 O LYS A 87 -9.944 -11.390 -5.699 1.00 0.40 O ATOM 834 CB LYS A 87 -9.048 -14.552 -6.383 1.00 0.71 C ATOM 835 CG LYS A 87 -7.548 -14.337 -6.361 1.00 1.06 C ATOM 836 CD LYS A 87 -6.810 -15.602 -6.733 1.00 1.59 C ATOM 837 CE LYS A 87 -6.748 -15.794 -8.240 1.00 1.84 C ATOM 838 NZ LYS A 87 -5.922 -14.747 -8.899 1.00 2.28 N ATOM 0 H LYS A 87 -10.737 -15.575 -4.947 1.00 0.53 H new ATOM 0 HA LYS A 87 -9.104 -13.432 -4.545 1.00 0.56 H new ATOM 0 HB2 LYS A 87 -9.257 -15.612 -6.237 1.00 0.71 H new ATOM 0 HB3 LYS A 87 -9.430 -14.285 -7.368 1.00 0.71 H new ATOM 0 HG2 LYS A 87 -7.282 -13.540 -7.055 1.00 1.06 H new ATOM 0 HG3 LYS A 87 -7.239 -14.011 -5.368 1.00 1.06 H new ATOM 0 HD2 LYS A 87 -5.798 -15.565 -6.329 1.00 1.59 H new ATOM 0 HD3 LYS A 87 -7.305 -16.460 -6.277 1.00 1.59 H new ATOM 0 HE2 LYS A 87 -6.334 -16.777 -8.464 1.00 1.84 H new ATOM 0 HE3 LYS A 87 -7.757 -15.772 -8.651 1.00 1.84 H new ATOM 0 HZ1 LYS A 87 -5.580 -15.100 -9.815 1.00 2.28 H new ATOM 0 HZ2 LYS A 87 -6.498 -13.894 -9.050 1.00 2.28 H new ATOM 0 HZ3 LYS A 87 -5.110 -14.513 -8.293 1.00 2.28 H new ATOM 852 N PHE A 88 -11.442 -12.696 -6.738 1.00 0.43 N ATOM 853 CA PHE A 88 -12.113 -11.584 -7.396 1.00 0.38 C ATOM 854 C PHE A 88 -12.581 -10.552 -6.372 1.00 0.31 C ATOM 855 O PHE A 88 -12.431 -9.352 -6.584 1.00 0.29 O ATOM 856 CB PHE A 88 -13.301 -12.088 -8.218 1.00 0.41 C ATOM 857 CG PHE A 88 -12.908 -12.977 -9.364 1.00 1.01 C ATOM 858 CD1 PHE A 88 -12.648 -14.321 -9.158 1.00 1.34 C ATOM 859 CD2 PHE A 88 -12.800 -12.465 -10.648 1.00 1.44 C ATOM 860 CE1 PHE A 88 -12.286 -15.141 -10.210 1.00 2.07 C ATOM 861 CE2 PHE A 88 -12.440 -13.280 -11.705 1.00 2.19 C ATOM 862 CZ PHE A 88 -12.182 -14.619 -11.485 1.00 2.49 C ATOM 0 H PHE A 88 -11.841 -13.612 -6.941 1.00 0.43 H new ATOM 0 HA PHE A 88 -11.400 -11.105 -8.067 1.00 0.38 H new ATOM 0 HB2 PHE A 88 -13.980 -12.634 -7.563 1.00 0.41 H new ATOM 0 HB3 PHE A 88 -13.852 -11.232 -8.606 1.00 0.41 H new ATOM 0 HD1 PHE A 88 -12.729 -14.734 -8.163 1.00 1.34 H new ATOM 0 HD2 PHE A 88 -12.999 -11.418 -10.824 1.00 1.44 H new ATOM 0 HE1 PHE A 88 -12.085 -16.188 -10.036 1.00 2.07 H new ATOM 0 HE2 PHE A 88 -12.361 -12.870 -12.701 1.00 2.19 H new ATOM 0 HZ PHE A 88 -11.899 -15.257 -12.309 1.00 2.49 H new ATOM 872 N ALA A 89 -13.144 -11.027 -5.266 1.00 0.31 N ATOM 873 CA ALA A 89 -13.631 -10.145 -4.207 1.00 0.29 C ATOM 874 C ALA A 89 -12.544 -9.191 -3.700 1.00 0.26 C ATOM 875 O ALA A 89 -12.684 -7.972 -3.800 1.00 0.27 O ATOM 876 CB ALA A 89 -14.185 -10.974 -3.057 1.00 0.35 C ATOM 0 H ALA A 89 -13.275 -12.021 -5.078 1.00 0.31 H new ATOM 0 HA ALA A 89 -14.425 -9.530 -4.631 1.00 0.29 H new ATOM 0 HB1 ALA A 89 -14.546 -10.311 -2.271 1.00 0.35 H new ATOM 0 HB2 ALA A 89 -15.008 -11.592 -3.417 1.00 0.35 H new ATOM 0 HB3 ALA A 89 -13.398 -11.614 -2.658 1.00 0.35 H new ATOM 882 N PHE A 90 -11.465 -9.749 -3.157 1.00 0.24 N ATOM 883 CA PHE A 90 -10.366 -8.945 -2.620 1.00 0.24 C ATOM 884 C PHE A 90 -9.628 -8.178 -3.710 1.00 0.21 C ATOM 885 O PHE A 90 -9.402 -6.977 -3.584 1.00 0.22 O ATOM 886 CB PHE A 90 -9.365 -9.839 -1.886 1.00 0.26 C ATOM 887 CG PHE A 90 -8.205 -9.081 -1.307 1.00 0.23 C ATOM 888 CD1 PHE A 90 -8.335 -8.393 -0.111 1.00 0.28 C ATOM 889 CD2 PHE A 90 -6.988 -9.049 -1.966 1.00 0.27 C ATOM 890 CE1 PHE A 90 -7.269 -7.687 0.417 1.00 0.27 C ATOM 891 CE2 PHE A 90 -5.921 -8.346 -1.444 1.00 0.28 C ATOM 892 CZ PHE A 90 -6.061 -7.663 -0.253 1.00 0.23 C ATOM 0 H PHE A 90 -11.326 -10.756 -3.076 1.00 0.24 H new ATOM 0 HA PHE A 90 -10.809 -8.225 -1.932 1.00 0.24 H new ATOM 0 HB2 PHE A 90 -9.881 -10.368 -1.085 1.00 0.26 H new ATOM 0 HB3 PHE A 90 -8.989 -10.594 -2.576 1.00 0.26 H new ATOM 0 HD1 PHE A 90 -9.278 -8.408 0.414 1.00 0.28 H new ATOM 0 HD2 PHE A 90 -6.872 -9.580 -2.899 1.00 0.27 H new ATOM 0 HE1 PHE A 90 -7.381 -7.156 1.351 1.00 0.27 H new ATOM 0 HE2 PHE A 90 -4.977 -8.330 -1.968 1.00 0.28 H new ATOM 0 HZ PHE A 90 -5.227 -7.111 0.155 1.00 0.23 H new ATOM 902 N ARG A 91 -9.267 -8.876 -4.780 1.00 0.19 N ATOM 903 CA ARG A 91 -8.516 -8.270 -5.874 1.00 0.21 C ATOM 904 C ARG A 91 -9.233 -7.023 -6.395 1.00 0.20 C ATOM 905 O ARG A 91 -8.653 -5.939 -6.449 1.00 0.19 O ATOM 906 CB ARG A 91 -8.319 -9.290 -7.004 1.00 0.25 C ATOM 907 CG ARG A 91 -6.924 -9.299 -7.609 1.00 0.34 C ATOM 908 CD ARG A 91 -6.476 -7.902 -7.969 1.00 1.15 C ATOM 909 NE ARG A 91 -7.162 -7.393 -9.155 1.00 1.75 N ATOM 910 CZ ARG A 91 -6.615 -6.541 -10.016 1.00 2.52 C ATOM 911 NH1 ARG A 91 -5.380 -6.097 -9.823 1.00 2.91 N ATOM 912 NH2 ARG A 91 -7.304 -6.134 -11.073 1.00 3.34 N ATOM 0 H ARG A 91 -9.482 -9.864 -4.914 1.00 0.19 H new ATOM 0 HA ARG A 91 -7.538 -7.967 -5.500 1.00 0.21 H new ATOM 0 HB2 ARG A 91 -8.541 -10.286 -6.620 1.00 0.25 H new ATOM 0 HB3 ARG A 91 -9.042 -9.083 -7.793 1.00 0.25 H new ATOM 0 HG2 ARG A 91 -6.221 -9.738 -6.902 1.00 0.34 H new ATOM 0 HG3 ARG A 91 -6.915 -9.928 -8.499 1.00 0.34 H new ATOM 0 HD2 ARG A 91 -6.663 -7.234 -7.128 1.00 1.15 H new ATOM 0 HD3 ARG A 91 -5.400 -7.901 -8.144 1.00 1.15 H new ATOM 0 HE ARG A 91 -8.115 -7.710 -9.332 1.00 1.75 H new ATOM 0 HH11 ARG A 91 -4.847 -6.409 -9.012 1.00 2.91 H new ATOM 0 HH12 ARG A 91 -4.964 -5.443 -10.486 1.00 2.91 H new ATOM 0 HH21 ARG A 91 -8.253 -6.475 -11.225 1.00 3.34 H new ATOM 0 HH22 ARG A 91 -6.885 -5.480 -11.734 1.00 3.34 H new ATOM 926 N GLU A 92 -10.495 -7.194 -6.775 1.00 0.25 N ATOM 927 CA GLU A 92 -11.297 -6.081 -7.281 1.00 0.27 C ATOM 928 C GLU A 92 -11.386 -4.966 -6.239 1.00 0.26 C ATOM 929 O GLU A 92 -11.425 -3.788 -6.586 1.00 0.25 O ATOM 930 CB GLU A 92 -12.702 -6.548 -7.683 1.00 0.32 C ATOM 931 CG GLU A 92 -13.666 -6.691 -6.515 1.00 1.17 C ATOM 932 CD GLU A 92 -15.026 -7.203 -6.942 1.00 1.97 C ATOM 933 OE1 GLU A 92 -15.205 -8.439 -6.996 1.00 2.58 O ATOM 934 OE2 GLU A 92 -15.914 -6.370 -7.223 1.00 2.25 O ATOM 0 H GLU A 92 -10.985 -8.088 -6.743 1.00 0.25 H new ATOM 0 HA GLU A 92 -10.803 -5.690 -8.170 1.00 0.27 H new ATOM 0 HB2 GLU A 92 -13.118 -5.839 -8.399 1.00 0.32 H new ATOM 0 HB3 GLU A 92 -12.622 -7.507 -8.194 1.00 0.32 H new ATOM 0 HG2 GLU A 92 -13.240 -7.372 -5.778 1.00 1.17 H new ATOM 0 HG3 GLU A 92 -13.783 -5.724 -6.025 1.00 1.17 H new ATOM 941 N ALA A 93 -11.419 -5.341 -4.960 1.00 0.26 N ATOM 942 CA ALA A 93 -11.485 -4.356 -3.885 1.00 0.26 C ATOM 943 C ALA A 93 -10.267 -3.442 -3.946 1.00 0.23 C ATOM 944 O ALA A 93 -10.355 -2.233 -3.709 1.00 0.22 O ATOM 945 CB ALA A 93 -11.573 -5.047 -2.531 1.00 0.29 C ATOM 0 H ALA A 93 -11.401 -6.312 -4.647 1.00 0.26 H new ATOM 0 HA ALA A 93 -12.383 -3.752 -4.014 1.00 0.26 H new ATOM 0 HB1 ALA A 93 -11.621 -4.297 -1.742 1.00 0.29 H new ATOM 0 HB2 ALA A 93 -12.468 -5.668 -2.497 1.00 0.29 H new ATOM 0 HB3 ALA A 93 -10.692 -5.672 -2.384 1.00 0.29 H new ATOM 951 N ILE A 94 -9.127 -4.036 -4.278 1.00 0.21 N ATOM 952 CA ILE A 94 -7.888 -3.290 -4.401 1.00 0.20 C ATOM 953 C ILE A 94 -8.000 -2.331 -5.568 1.00 0.19 C ATOM 954 O ILE A 94 -7.485 -1.213 -5.532 1.00 0.20 O ATOM 955 CB ILE A 94 -6.692 -4.217 -4.650 1.00 0.20 C ATOM 956 CG1 ILE A 94 -6.759 -5.439 -3.746 1.00 0.23 C ATOM 957 CG2 ILE A 94 -5.397 -3.465 -4.428 1.00 0.22 C ATOM 958 CD1 ILE A 94 -5.825 -6.539 -4.178 1.00 0.24 C ATOM 0 H ILE A 94 -9.039 -5.035 -4.467 1.00 0.21 H new ATOM 0 HA ILE A 94 -7.725 -2.755 -3.466 1.00 0.20 H new ATOM 0 HB ILE A 94 -6.728 -4.558 -5.685 1.00 0.20 H new ATOM 0 HG12 ILE A 94 -6.517 -5.143 -2.725 1.00 0.23 H new ATOM 0 HG13 ILE A 94 -7.780 -5.820 -3.734 1.00 0.23 H new ATOM 0 HG21 ILE A 94 -4.554 -4.132 -4.607 1.00 0.22 H new ATOM 0 HG22 ILE A 94 -5.344 -2.621 -5.115 1.00 0.22 H new ATOM 0 HG23 ILE A 94 -5.359 -3.100 -3.401 1.00 0.22 H new ATOM 0 HD11 ILE A 94 -5.917 -7.384 -3.495 1.00 0.24 H new ATOM 0 HD12 ILE A 94 -6.082 -6.859 -5.188 1.00 0.24 H new ATOM 0 HD13 ILE A 94 -4.799 -6.172 -4.164 1.00 0.24 H new ATOM 970 N ASN A 95 -8.686 -2.793 -6.606 1.00 0.20 N ATOM 971 CA ASN A 95 -8.907 -2.001 -7.799 1.00 0.21 C ATOM 972 C ASN A 95 -9.702 -0.754 -7.433 1.00 0.21 C ATOM 973 O ASN A 95 -9.543 0.300 -8.044 1.00 0.25 O ATOM 974 CB ASN A 95 -9.652 -2.846 -8.841 1.00 0.23 C ATOM 975 CG ASN A 95 -10.849 -2.132 -9.431 1.00 0.26 C ATOM 976 OD1 ASN A 95 -11.854 -1.915 -8.598 1.00 0.33 O flip ATOM 977 ND2 ASN A 95 -10.861 -1.770 -10.608 1.00 0.24 N flip ATOM 0 H ASN A 95 -9.101 -3.724 -6.640 1.00 0.20 H new ATOM 0 HA ASN A 95 -7.954 -1.690 -8.228 1.00 0.21 H new ATOM 0 HB2 ASN A 95 -8.964 -3.115 -9.643 1.00 0.23 H new ATOM 0 HB3 ASN A 95 -9.982 -3.776 -8.379 1.00 0.23 H new ATOM 0 HD21 ASN A 95 -10.060 -1.962 -11.209 1.00 0.24 H new ATOM 0 HD22 ASN A 95 -11.672 -1.278 -10.982 1.00 0.24 H new ATOM 984 N LYS A 96 -10.572 -0.888 -6.429 1.00 0.20 N ATOM 985 CA LYS A 96 -11.370 0.236 -5.963 1.00 0.20 C ATOM 986 C LYS A 96 -10.456 1.305 -5.392 1.00 0.19 C ATOM 987 O LYS A 96 -10.581 2.484 -5.725 1.00 0.20 O ATOM 988 CB LYS A 96 -12.383 -0.208 -4.905 1.00 0.24 C ATOM 989 CG LYS A 96 -13.749 -0.541 -5.476 1.00 0.34 C ATOM 990 CD LYS A 96 -13.785 -1.942 -6.057 1.00 0.76 C ATOM 991 CE LYS A 96 -15.010 -2.148 -6.929 1.00 0.75 C ATOM 992 NZ LYS A 96 -16.275 -1.949 -6.169 1.00 1.64 N ATOM 0 H LYS A 96 -10.738 -1.761 -5.929 1.00 0.20 H new ATOM 0 HA LYS A 96 -11.924 0.642 -6.810 1.00 0.20 H new ATOM 0 HB2 LYS A 96 -11.993 -1.082 -4.384 1.00 0.24 H new ATOM 0 HB3 LYS A 96 -12.491 0.583 -4.163 1.00 0.24 H new ATOM 0 HG2 LYS A 96 -14.503 -0.451 -4.694 1.00 0.34 H new ATOM 0 HG3 LYS A 96 -14.006 0.181 -6.251 1.00 0.34 H new ATOM 0 HD2 LYS A 96 -12.884 -2.117 -6.645 1.00 0.76 H new ATOM 0 HD3 LYS A 96 -13.785 -2.673 -5.249 1.00 0.76 H new ATOM 0 HE2 LYS A 96 -14.978 -1.454 -7.769 1.00 0.75 H new ATOM 0 HE3 LYS A 96 -14.993 -3.155 -7.347 1.00 0.75 H new ATOM 0 HZ1 LYS A 96 -17.083 -2.230 -6.760 1.00 1.64 H new ATOM 0 HZ2 LYS A 96 -16.258 -2.531 -5.308 1.00 1.64 H new ATOM 0 HZ3 LYS A 96 -16.369 -0.947 -5.907 1.00 1.64 H new ATOM 1006 N LEU A 97 -9.535 0.888 -4.522 1.00 0.21 N ATOM 1007 CA LEU A 97 -8.585 1.823 -3.932 1.00 0.22 C ATOM 1008 C LEU A 97 -7.789 2.515 -5.028 1.00 0.21 C ATOM 1009 O LEU A 97 -7.430 3.681 -4.908 1.00 0.25 O ATOM 1010 CB LEU A 97 -7.621 1.119 -2.978 1.00 0.25 C ATOM 1011 CG LEU A 97 -6.529 2.029 -2.409 1.00 0.38 C ATOM 1012 CD1 LEU A 97 -7.107 2.945 -1.352 1.00 0.52 C ATOM 1013 CD2 LEU A 97 -5.382 1.221 -1.836 1.00 0.62 C ATOM 0 H LEU A 97 -9.429 -0.079 -4.215 1.00 0.21 H new ATOM 0 HA LEU A 97 -9.155 2.558 -3.363 1.00 0.22 H new ATOM 0 HB2 LEU A 97 -8.191 0.693 -2.152 1.00 0.25 H new ATOM 0 HB3 LEU A 97 -7.150 0.288 -3.503 1.00 0.25 H new ATOM 0 HG LEU A 97 -6.137 2.634 -3.226 1.00 0.38 H new ATOM 0 HD11 LEU A 97 -6.319 3.586 -0.956 1.00 0.52 H new ATOM 0 HD12 LEU A 97 -7.890 3.562 -1.794 1.00 0.52 H new ATOM 0 HD13 LEU A 97 -7.529 2.347 -0.544 1.00 0.52 H new ATOM 0 HD21 LEU A 97 -4.623 1.896 -1.440 1.00 0.62 H new ATOM 0 HD22 LEU A 97 -5.752 0.581 -1.035 1.00 0.62 H new ATOM 0 HD23 LEU A 97 -4.944 0.604 -2.620 1.00 0.62 H new ATOM 1025 N GLU A 98 -7.532 1.785 -6.107 1.00 0.18 N ATOM 1026 CA GLU A 98 -6.778 2.319 -7.232 1.00 0.19 C ATOM 1027 C GLU A 98 -7.459 3.566 -7.785 1.00 0.17 C ATOM 1028 O GLU A 98 -6.874 4.647 -7.801 1.00 0.20 O ATOM 1029 CB GLU A 98 -6.652 1.259 -8.323 1.00 0.21 C ATOM 1030 CG GLU A 98 -5.905 1.732 -9.554 1.00 0.27 C ATOM 1031 CD GLU A 98 -4.645 2.510 -9.219 1.00 0.88 C ATOM 1032 OE1 GLU A 98 -3.583 1.877 -9.048 1.00 1.87 O ATOM 1033 OE2 GLU A 98 -4.722 3.752 -9.127 1.00 0.96 O ATOM 0 H GLU A 98 -7.836 0.819 -6.225 1.00 0.18 H new ATOM 0 HA GLU A 98 -5.781 2.594 -6.888 1.00 0.19 H new ATOM 0 HB2 GLU A 98 -6.142 0.388 -7.912 1.00 0.21 H new ATOM 0 HB3 GLU A 98 -7.650 0.934 -8.618 1.00 0.21 H new ATOM 0 HG2 GLU A 98 -5.641 0.870 -10.166 1.00 0.27 H new ATOM 0 HG3 GLU A 98 -6.564 2.359 -10.154 1.00 0.27 H new ATOM 1040 N ASN A 99 -8.705 3.408 -8.219 1.00 0.16 N ATOM 1041 CA ASN A 99 -9.474 4.518 -8.774 1.00 0.17 C ATOM 1042 C ASN A 99 -9.906 5.490 -7.681 1.00 0.21 C ATOM 1043 O ASN A 99 -10.387 6.587 -7.970 1.00 0.44 O ATOM 1044 CB ASN A 99 -10.705 3.998 -9.519 1.00 0.22 C ATOM 1045 CG ASN A 99 -10.350 2.982 -10.587 1.00 1.00 C ATOM 1046 OD1 ASN A 99 -10.057 3.340 -11.728 1.00 2.12 O ATOM 1047 ND2 ASN A 99 -10.381 1.707 -10.221 1.00 0.62 N ATOM 0 H ASN A 99 -9.206 2.520 -8.197 1.00 0.16 H new ATOM 0 HA ASN A 99 -8.830 5.049 -9.474 1.00 0.17 H new ATOM 0 HB2 ASN A 99 -11.393 3.545 -8.805 1.00 0.22 H new ATOM 0 HB3 ASN A 99 -11.229 4.836 -9.979 1.00 0.22 H new ATOM 0 HD21 ASN A 99 -10.156 0.977 -10.897 1.00 0.62 H new ATOM 0 HD22 ASN A 99 -10.630 1.457 -9.264 1.00 0.62 H new ATOM 1054 N ASN A 100 -9.715 5.098 -6.422 1.00 0.17 N ATOM 1055 CA ASN A 100 -10.093 5.946 -5.303 1.00 0.16 C ATOM 1056 C ASN A 100 -9.033 7.017 -5.125 1.00 0.16 C ATOM 1057 O ASN A 100 -9.339 8.203 -4.993 1.00 0.21 O ATOM 1058 CB ASN A 100 -10.237 5.110 -4.031 1.00 0.19 C ATOM 1059 CG ASN A 100 -9.729 5.828 -2.798 1.00 0.18 C ATOM 1060 OD1 ASN A 100 -8.442 5.668 -2.516 1.00 0.26 O flip ATOM 1061 ND2 ASN A 100 -10.481 6.518 -2.109 1.00 0.21 N flip ATOM 0 H ASN A 100 -9.303 4.203 -6.157 1.00 0.17 H new ATOM 0 HA ASN A 100 -11.055 6.418 -5.503 1.00 0.16 H new ATOM 0 HB2 ASN A 100 -11.286 4.850 -3.889 1.00 0.19 H new ATOM 0 HB3 ASN A 100 -9.691 4.175 -4.152 1.00 0.19 H new ATOM 0 HD21 ASN A 100 -11.464 6.612 -2.365 1.00 0.21 H new ATOM 0 HD22 ASN A 100 -10.121 6.995 -1.283 1.00 0.21 H new ATOM 1068 N LEU A 101 -7.779 6.579 -5.124 1.00 0.19 N ATOM 1069 CA LEU A 101 -6.656 7.490 -5.005 1.00 0.25 C ATOM 1070 C LEU A 101 -6.622 8.373 -6.246 1.00 0.23 C ATOM 1071 O LEU A 101 -6.272 9.550 -6.186 1.00 0.25 O ATOM 1072 CB LEU A 101 -5.345 6.706 -4.882 1.00 0.32 C ATOM 1073 CG LEU A 101 -5.371 5.533 -3.898 1.00 0.42 C ATOM 1074 CD1 LEU A 101 -4.324 4.498 -4.277 1.00 0.32 C ATOM 1075 CD2 LEU A 101 -5.142 6.016 -2.475 1.00 0.58 C ATOM 0 H LEU A 101 -7.518 5.596 -5.205 1.00 0.19 H new ATOM 0 HA LEU A 101 -6.770 8.103 -4.111 1.00 0.25 H new ATOM 0 HB2 LEU A 101 -5.075 6.326 -5.867 1.00 0.32 H new ATOM 0 HB3 LEU A 101 -4.556 7.395 -4.579 1.00 0.32 H new ATOM 0 HG LEU A 101 -6.356 5.069 -3.949 1.00 0.42 H new ATOM 0 HD11 LEU A 101 -4.356 3.671 -3.567 1.00 0.32 H new ATOM 0 HD12 LEU A 101 -4.529 4.124 -5.280 1.00 0.32 H new ATOM 0 HD13 LEU A 101 -3.335 4.956 -4.256 1.00 0.32 H new ATOM 0 HD21 LEU A 101 -5.165 5.165 -1.794 1.00 0.58 H new ATOM 0 HD22 LEU A 101 -4.171 6.508 -2.409 1.00 0.58 H new ATOM 0 HD23 LEU A 101 -5.926 6.722 -2.200 1.00 0.58 H new ATOM 1087 N ARG A 102 -7.012 7.776 -7.371 1.00 0.22 N ATOM 1088 CA ARG A 102 -7.049 8.471 -8.652 1.00 0.23 C ATOM 1089 C ARG A 102 -7.901 9.732 -8.572 1.00 0.24 C ATOM 1090 O ARG A 102 -7.463 10.805 -8.985 1.00 0.34 O ATOM 1091 CB ARG A 102 -7.594 7.544 -9.743 1.00 0.25 C ATOM 1092 CG ARG A 102 -6.591 6.508 -10.223 1.00 0.29 C ATOM 1093 CD ARG A 102 -7.145 5.679 -11.371 1.00 0.38 C ATOM 1094 NE ARG A 102 -6.219 4.629 -11.786 1.00 0.97 N ATOM 1095 CZ ARG A 102 -6.503 3.716 -12.709 1.00 1.26 C ATOM 1096 NH1 ARG A 102 -7.682 3.725 -13.316 1.00 1.25 N ATOM 1097 NH2 ARG A 102 -5.608 2.791 -13.029 1.00 2.09 N ATOM 0 H ARG A 102 -7.309 6.801 -7.418 1.00 0.22 H new ATOM 0 HA ARG A 102 -6.029 8.763 -8.903 1.00 0.23 H new ATOM 0 HB2 ARG A 102 -8.478 7.032 -9.364 1.00 0.25 H new ATOM 0 HB3 ARG A 102 -7.915 8.147 -10.593 1.00 0.25 H new ATOM 0 HG2 ARG A 102 -5.677 7.008 -10.543 1.00 0.29 H new ATOM 0 HG3 ARG A 102 -6.322 5.851 -9.396 1.00 0.29 H new ATOM 0 HD2 ARG A 102 -8.091 5.229 -11.070 1.00 0.38 H new ATOM 0 HD3 ARG A 102 -7.358 6.330 -12.219 1.00 0.38 H new ATOM 0 HE ARG A 102 -5.301 4.594 -11.342 1.00 0.97 H new ATOM 0 HH11 ARG A 102 -8.374 4.434 -13.075 1.00 1.25 H new ATOM 0 HH12 ARG A 102 -7.897 3.023 -14.024 1.00 1.25 H new ATOM 0 HH21 ARG A 102 -4.699 2.779 -12.566 1.00 2.09 H new ATOM 0 HH22 ARG A 102 -5.829 2.091 -13.738 1.00 2.09 H new ATOM 1111 N GLU A 103 -9.119 9.611 -8.046 1.00 0.24 N ATOM 1112 CA GLU A 103 -10.002 10.763 -7.924 1.00 0.24 C ATOM 1113 C GLU A 103 -9.585 11.620 -6.735 1.00 0.24 C ATOM 1114 O GLU A 103 -9.896 12.809 -6.668 1.00 0.25 O ATOM 1115 CB GLU A 103 -11.454 10.303 -7.761 1.00 0.26 C ATOM 1116 CG GLU A 103 -12.454 11.446 -7.680 1.00 0.34 C ATOM 1117 CD GLU A 103 -12.488 12.284 -8.942 1.00 1.36 C ATOM 1118 OE1 GLU A 103 -13.249 11.932 -9.867 1.00 2.32 O ATOM 1119 OE2 GLU A 103 -11.754 13.293 -9.005 1.00 1.82 O ATOM 0 H GLU A 103 -9.511 8.735 -7.701 1.00 0.24 H new ATOM 0 HA GLU A 103 -9.925 11.361 -8.832 1.00 0.24 H new ATOM 0 HB2 GLU A 103 -11.718 9.660 -8.601 1.00 0.26 H new ATOM 0 HB3 GLU A 103 -11.534 9.697 -6.858 1.00 0.26 H new ATOM 0 HG2 GLU A 103 -13.448 11.041 -7.491 1.00 0.34 H new ATOM 0 HG3 GLU A 103 -12.203 12.083 -6.832 1.00 0.34 H new ATOM 1126 N LEU A 104 -8.873 11.000 -5.798 1.00 0.24 N ATOM 1127 CA LEU A 104 -8.401 11.690 -4.610 1.00 0.25 C ATOM 1128 C LEU A 104 -7.315 12.700 -4.965 1.00 0.29 C ATOM 1129 O LEU A 104 -7.019 13.597 -4.182 1.00 0.31 O ATOM 1130 CB LEU A 104 -7.872 10.669 -3.600 1.00 0.24 C ATOM 1131 CG LEU A 104 -7.177 11.242 -2.371 1.00 0.24 C ATOM 1132 CD1 LEU A 104 -8.177 11.948 -1.487 1.00 0.29 C ATOM 1133 CD2 LEU A 104 -6.472 10.138 -1.605 1.00 0.24 C ATOM 0 H LEU A 104 -8.611 10.015 -5.843 1.00 0.24 H new ATOM 0 HA LEU A 104 -9.234 12.235 -4.166 1.00 0.25 H new ATOM 0 HB2 LEU A 104 -8.706 10.052 -3.266 1.00 0.24 H new ATOM 0 HB3 LEU A 104 -7.173 10.009 -4.113 1.00 0.24 H new ATOM 0 HG LEU A 104 -6.431 11.968 -2.695 1.00 0.24 H new ATOM 0 HD11 LEU A 104 -7.668 12.353 -0.613 1.00 0.29 H new ATOM 0 HD12 LEU A 104 -8.644 12.761 -2.043 1.00 0.29 H new ATOM 0 HD13 LEU A 104 -8.942 11.241 -1.166 1.00 0.29 H new ATOM 0 HD21 LEU A 104 -5.979 10.560 -0.729 1.00 0.24 H new ATOM 0 HD22 LEU A 104 -7.201 9.393 -1.287 1.00 0.24 H new ATOM 0 HD23 LEU A 104 -5.728 9.667 -2.248 1.00 0.24 H new ATOM 1145 N GLN A 105 -6.729 12.554 -6.155 1.00 0.40 N ATOM 1146 CA GLN A 105 -5.676 13.464 -6.604 1.00 0.51 C ATOM 1147 C GLN A 105 -6.096 14.911 -6.393 1.00 0.45 C ATOM 1148 O GLN A 105 -7.193 15.311 -6.781 1.00 1.00 O ATOM 1149 CB GLN A 105 -5.347 13.224 -8.080 1.00 0.86 C ATOM 1150 CG GLN A 105 -3.884 12.885 -8.331 1.00 0.44 C ATOM 1151 CD GLN A 105 -3.541 11.449 -7.996 1.00 1.31 C ATOM 1152 OE1 GLN A 105 -4.216 10.896 -7.000 1.00 2.04 O flip ATOM 1153 NE2 GLN A 105 -2.675 10.843 -8.626 1.00 1.38 N flip ATOM 0 H GLN A 105 -6.965 11.818 -6.821 1.00 0.40 H new ATOM 0 HA GLN A 105 -4.783 13.267 -6.011 1.00 0.51 H new ATOM 0 HB2 GLN A 105 -5.969 12.411 -8.455 1.00 0.86 H new ATOM 0 HB3 GLN A 105 -5.608 14.115 -8.651 1.00 0.86 H new ATOM 0 HG2 GLN A 105 -3.648 13.074 -9.378 1.00 0.44 H new ATOM 0 HG3 GLN A 105 -3.256 13.550 -7.738 1.00 0.44 H new ATOM 0 HE21 GLN A 105 -2.179 11.307 -9.387 1.00 1.38 H new ATOM 0 HE22 GLN A 105 -2.453 9.876 -8.388 1.00 1.38 H new ATOM 1342 N PHE A 121 -12.508 12.660 2.706 1.00 0.45 N ATOM 1343 CA PHE A 121 -12.043 11.372 2.213 1.00 0.36 C ATOM 1344 C PHE A 121 -12.497 10.217 3.099 1.00 0.31 C ATOM 1345 O PHE A 121 -11.719 9.304 3.378 1.00 0.33 O ATOM 1346 CB PHE A 121 -10.513 11.362 2.108 1.00 0.47 C ATOM 1347 CG PHE A 121 -9.906 12.613 1.522 1.00 0.37 C ATOM 1348 CD1 PHE A 121 -10.629 13.447 0.679 1.00 0.46 C ATOM 1349 CD2 PHE A 121 -8.594 12.950 1.818 1.00 0.27 C ATOM 1350 CE1 PHE A 121 -10.056 14.586 0.148 1.00 0.41 C ATOM 1351 CE2 PHE A 121 -8.018 14.085 1.289 1.00 0.26 C ATOM 1352 CZ PHE A 121 -8.749 14.903 0.454 1.00 0.31 C ATOM 0 HA PHE A 121 -12.484 11.232 1.226 1.00 0.36 H new ATOM 0 HB2 PHE A 121 -10.097 11.206 3.103 1.00 0.47 H new ATOM 0 HB3 PHE A 121 -10.211 10.510 1.499 1.00 0.47 H new ATOM 0 HD1 PHE A 121 -11.652 13.202 0.436 1.00 0.46 H new ATOM 0 HD2 PHE A 121 -8.015 12.314 2.472 1.00 0.27 H new ATOM 0 HE1 PHE A 121 -10.630 15.227 -0.505 1.00 0.41 H new ATOM 0 HE2 PHE A 121 -6.995 14.333 1.528 1.00 0.26 H new ATOM 0 HZ PHE A 121 -8.298 15.792 0.039 1.00 0.31 H new ATOM 1362 N SER A 122 -13.749 10.249 3.541 1.00 0.32 N ATOM 1363 CA SER A 122 -14.268 9.172 4.371 1.00 0.34 C ATOM 1364 C SER A 122 -14.498 7.935 3.520 1.00 0.29 C ATOM 1365 O SER A 122 -14.642 6.828 4.038 1.00 0.32 O ATOM 1366 CB SER A 122 -15.566 9.570 5.069 1.00 0.42 C ATOM 1367 OG SER A 122 -16.598 9.818 4.130 1.00 1.26 O ATOM 0 H SER A 122 -14.413 10.997 3.342 1.00 0.32 H new ATOM 0 HA SER A 122 -13.529 8.958 5.143 1.00 0.34 H new ATOM 0 HB2 SER A 122 -15.874 8.777 5.750 1.00 0.42 H new ATOM 0 HB3 SER A 122 -15.398 10.462 5.673 1.00 0.42 H new ATOM 0 HG SER A 122 -17.418 10.069 4.604 1.00 1.26 H new ATOM 1373 N LYS A 123 -14.545 8.130 2.204 1.00 0.27 N ATOM 1374 CA LYS A 123 -14.725 7.049 1.284 1.00 0.29 C ATOM 1375 C LYS A 123 -13.506 6.155 1.325 1.00 0.24 C ATOM 1376 O LYS A 123 -13.609 4.941 1.496 1.00 0.27 O ATOM 1377 CB LYS A 123 -14.924 7.627 -0.098 1.00 0.37 C ATOM 1378 CG LYS A 123 -16.272 8.292 -0.283 1.00 0.42 C ATOM 1379 CD LYS A 123 -17.408 7.318 -0.039 1.00 0.91 C ATOM 1380 CE LYS A 123 -17.529 6.310 -1.160 1.00 1.81 C ATOM 1381 NZ LYS A 123 -18.801 5.539 -1.085 1.00 2.58 N ATOM 0 H LYS A 123 -14.458 9.046 1.763 1.00 0.27 H new ATOM 0 HA LYS A 123 -15.598 6.453 1.551 1.00 0.29 H new ATOM 0 HB2 LYS A 123 -14.138 8.355 -0.296 1.00 0.37 H new ATOM 0 HB3 LYS A 123 -14.815 6.832 -0.836 1.00 0.37 H new ATOM 0 HG2 LYS A 123 -16.360 9.135 0.402 1.00 0.42 H new ATOM 0 HG3 LYS A 123 -16.346 8.693 -1.294 1.00 0.42 H new ATOM 0 HD2 LYS A 123 -17.244 6.796 0.904 1.00 0.91 H new ATOM 0 HD3 LYS A 123 -18.344 7.868 0.059 1.00 0.91 H new ATOM 0 HE2 LYS A 123 -17.474 6.826 -2.119 1.00 1.81 H new ATOM 0 HE3 LYS A 123 -16.685 5.621 -1.120 1.00 1.81 H new ATOM 0 HZ1 LYS A 123 -18.842 4.860 -1.872 1.00 2.58 H new ATOM 0 HZ2 LYS A 123 -18.843 5.025 -0.182 1.00 2.58 H new ATOM 0 HZ3 LYS A 123 -19.607 6.193 -1.149 1.00 2.58 H new ATOM 1395 N LEU A 124 -12.348 6.778 1.153 1.00 0.22 N ATOM 1396 CA LEU A 124 -11.080 6.078 1.216 1.00 0.20 C ATOM 1397 C LEU A 124 -11.022 5.267 2.509 1.00 0.16 C ATOM 1398 O LEU A 124 -10.357 4.234 2.591 1.00 0.16 O ATOM 1399 CB LEU A 124 -9.941 7.106 1.155 1.00 0.25 C ATOM 1400 CG LEU A 124 -8.513 6.556 1.109 1.00 0.24 C ATOM 1401 CD1 LEU A 124 -8.471 5.182 0.475 1.00 0.26 C ATOM 1402 CD2 LEU A 124 -7.614 7.507 0.339 1.00 0.25 C ATOM 0 H LEU A 124 -12.265 7.777 0.967 1.00 0.22 H new ATOM 0 HA LEU A 124 -10.975 5.393 0.375 1.00 0.20 H new ATOM 0 HB2 LEU A 124 -10.093 7.729 0.274 1.00 0.25 H new ATOM 0 HB3 LEU A 124 -10.026 7.758 2.024 1.00 0.25 H new ATOM 0 HG LEU A 124 -8.155 6.467 2.135 1.00 0.24 H new ATOM 0 HD11 LEU A 124 -7.443 4.820 0.458 1.00 0.26 H new ATOM 0 HD12 LEU A 124 -9.088 4.495 1.054 1.00 0.26 H new ATOM 0 HD13 LEU A 124 -8.852 5.240 -0.545 1.00 0.26 H new ATOM 0 HD21 LEU A 124 -6.600 7.107 0.312 1.00 0.25 H new ATOM 0 HD22 LEU A 124 -7.988 7.618 -0.679 1.00 0.25 H new ATOM 0 HD23 LEU A 124 -7.607 8.480 0.831 1.00 0.25 H new ATOM 1414 N LEU A 125 -11.755 5.744 3.512 1.00 0.18 N ATOM 1415 CA LEU A 125 -11.817 5.080 4.806 1.00 0.22 C ATOM 1416 C LEU A 125 -12.618 3.782 4.696 1.00 0.24 C ATOM 1417 O LEU A 125 -12.169 2.720 5.135 1.00 0.26 O ATOM 1418 CB LEU A 125 -12.467 6.020 5.833 1.00 0.28 C ATOM 1419 CG LEU A 125 -11.756 6.120 7.184 1.00 0.32 C ATOM 1420 CD1 LEU A 125 -11.480 4.737 7.759 1.00 1.23 C ATOM 1421 CD2 LEU A 125 -10.466 6.915 7.043 1.00 1.30 C ATOM 0 H LEU A 125 -12.317 6.593 3.450 1.00 0.18 H new ATOM 0 HA LEU A 125 -10.806 4.835 5.133 1.00 0.22 H new ATOM 0 HB2 LEU A 125 -12.525 7.018 5.399 1.00 0.28 H new ATOM 0 HB3 LEU A 125 -13.491 5.688 6.006 1.00 0.28 H new ATOM 0 HG LEU A 125 -12.412 6.644 7.879 1.00 0.32 H new ATOM 0 HD11 LEU A 125 -10.974 4.837 8.719 1.00 1.23 H new ATOM 0 HD12 LEU A 125 -12.422 4.206 7.898 1.00 1.23 H new ATOM 0 HD13 LEU A 125 -10.846 4.177 7.071 1.00 1.23 H new ATOM 0 HD21 LEU A 125 -9.970 6.979 8.012 1.00 1.30 H new ATOM 0 HD22 LEU A 125 -9.808 6.418 6.330 1.00 1.30 H new ATOM 0 HD23 LEU A 125 -10.695 7.919 6.686 1.00 1.30 H new ATOM 1433 N SER A 126 -13.804 3.879 4.097 1.00 0.28 N ATOM 1434 CA SER A 126 -14.667 2.715 3.916 1.00 0.34 C ATOM 1435 C SER A 126 -14.019 1.688 2.990 1.00 0.28 C ATOM 1436 O SER A 126 -14.195 0.481 3.165 1.00 0.29 O ATOM 1437 CB SER A 126 -16.025 3.139 3.353 1.00 0.44 C ATOM 1438 OG SER A 126 -15.885 3.731 2.073 1.00 1.40 O ATOM 0 H SER A 126 -14.188 4.750 3.730 1.00 0.28 H new ATOM 0 HA SER A 126 -14.814 2.254 4.893 1.00 0.34 H new ATOM 0 HB2 SER A 126 -16.681 2.271 3.286 1.00 0.44 H new ATOM 0 HB3 SER A 126 -16.500 3.846 4.034 1.00 0.44 H new ATOM 0 HG SER A 126 -15.210 4.441 2.113 1.00 1.40 H new ATOM 1444 N SER A 127 -13.272 2.176 2.005 1.00 0.25 N ATOM 1445 CA SER A 127 -12.602 1.306 1.044 1.00 0.25 C ATOM 1446 C SER A 127 -11.582 0.399 1.726 1.00 0.21 C ATOM 1447 O SER A 127 -11.548 -0.805 1.478 1.00 0.23 O ATOM 1448 CB SER A 127 -11.912 2.143 -0.034 1.00 0.31 C ATOM 1449 OG SER A 127 -11.300 1.316 -1.008 1.00 1.09 O ATOM 0 H SER A 127 -13.115 3.172 1.851 1.00 0.25 H new ATOM 0 HA SER A 127 -13.362 0.675 0.583 1.00 0.25 H new ATOM 0 HB2 SER A 127 -12.641 2.796 -0.513 1.00 0.31 H new ATOM 0 HB3 SER A 127 -11.161 2.786 0.425 1.00 0.31 H new ATOM 0 HG SER A 127 -10.867 1.875 -1.687 1.00 1.09 H new ATOM 1455 N VAL A 128 -10.759 0.983 2.593 1.00 0.23 N ATOM 1456 CA VAL A 128 -9.729 0.229 3.304 1.00 0.30 C ATOM 1457 C VAL A 128 -10.341 -0.864 4.168 1.00 0.29 C ATOM 1458 O VAL A 128 -9.921 -2.019 4.111 1.00 0.32 O ATOM 1459 CB VAL A 128 -8.877 1.159 4.193 1.00 0.40 C ATOM 1460 CG1 VAL A 128 -7.970 0.353 5.109 1.00 0.51 C ATOM 1461 CG2 VAL A 128 -8.065 2.115 3.334 1.00 0.48 C ATOM 0 H VAL A 128 -10.785 1.977 2.821 1.00 0.23 H new ATOM 0 HA VAL A 128 -9.092 -0.231 2.549 1.00 0.30 H new ATOM 0 HB VAL A 128 -9.550 1.745 4.819 1.00 0.40 H new ATOM 0 HG11 VAL A 128 -7.380 1.031 5.725 1.00 0.51 H new ATOM 0 HG12 VAL A 128 -8.576 -0.286 5.751 1.00 0.51 H new ATOM 0 HG13 VAL A 128 -7.303 -0.265 4.508 1.00 0.51 H new ATOM 0 HG21 VAL A 128 -7.469 2.764 3.976 1.00 0.48 H new ATOM 0 HG22 VAL A 128 -7.404 1.545 2.681 1.00 0.48 H new ATOM 0 HG23 VAL A 128 -8.738 2.722 2.729 1.00 0.48 H new ATOM 1471 N LYS A 129 -11.326 -0.488 4.970 1.00 0.28 N ATOM 1472 CA LYS A 129 -12.000 -1.436 5.845 1.00 0.32 C ATOM 1473 C LYS A 129 -12.453 -2.669 5.067 1.00 0.27 C ATOM 1474 O LYS A 129 -12.292 -3.802 5.521 1.00 0.27 O ATOM 1475 CB LYS A 129 -13.203 -0.760 6.498 1.00 0.38 C ATOM 1476 CG LYS A 129 -12.835 0.207 7.609 1.00 0.50 C ATOM 1477 CD LYS A 129 -12.315 -0.531 8.826 1.00 1.12 C ATOM 1478 CE LYS A 129 -13.450 -1.118 9.648 1.00 1.77 C ATOM 1479 NZ LYS A 129 -12.958 -1.757 10.900 1.00 2.69 N ATOM 0 H LYS A 129 -11.677 0.468 5.033 1.00 0.28 H new ATOM 0 HA LYS A 129 -11.299 -1.759 6.615 1.00 0.32 H new ATOM 0 HB2 LYS A 129 -13.765 -0.224 5.734 1.00 0.38 H new ATOM 0 HB3 LYS A 129 -13.864 -1.527 6.901 1.00 0.38 H new ATOM 0 HG2 LYS A 129 -12.077 0.904 7.252 1.00 0.50 H new ATOM 0 HG3 LYS A 129 -13.708 0.798 7.884 1.00 0.50 H new ATOM 0 HD2 LYS A 129 -11.643 -1.329 8.509 1.00 1.12 H new ATOM 0 HD3 LYS A 129 -11.731 0.151 9.444 1.00 1.12 H new ATOM 0 HE2 LYS A 129 -14.162 -0.331 9.898 1.00 1.77 H new ATOM 0 HE3 LYS A 129 -13.987 -1.855 9.051 1.00 1.77 H new ATOM 0 HZ1 LYS A 129 -13.763 -2.145 11.432 1.00 2.69 H new ATOM 0 HZ2 LYS A 129 -12.298 -2.525 10.662 1.00 2.69 H new ATOM 0 HZ3 LYS A 129 -12.468 -1.048 11.482 1.00 2.69 H new ATOM 1493 N GLU A 130 -13.018 -2.430 3.891 1.00 0.23 N ATOM 1494 CA GLU A 130 -13.513 -3.500 3.030 1.00 0.21 C ATOM 1495 C GLU A 130 -12.420 -4.494 2.632 1.00 0.17 C ATOM 1496 O GLU A 130 -12.564 -5.697 2.862 1.00 0.16 O ATOM 1497 CB GLU A 130 -14.155 -2.906 1.774 1.00 0.21 C ATOM 1498 CG GLU A 130 -14.718 -3.949 0.822 1.00 0.35 C ATOM 1499 CD GLU A 130 -15.765 -4.830 1.474 1.00 1.20 C ATOM 1500 OE1 GLU A 130 -16.944 -4.421 1.512 1.00 1.71 O ATOM 1501 OE2 GLU A 130 -15.406 -5.928 1.947 1.00 2.10 O ATOM 0 H GLU A 130 -13.147 -1.494 3.507 1.00 0.23 H new ATOM 0 HA GLU A 130 -14.256 -4.052 3.605 1.00 0.21 H new ATOM 0 HB2 GLU A 130 -14.956 -2.229 2.072 1.00 0.21 H new ATOM 0 HB3 GLU A 130 -13.412 -2.308 1.246 1.00 0.21 H new ATOM 0 HG2 GLU A 130 -15.156 -3.448 -0.041 1.00 0.35 H new ATOM 0 HG3 GLU A 130 -13.905 -4.572 0.450 1.00 0.35 H new ATOM 1508 N ILE A 131 -11.331 -4.003 2.042 1.00 0.18 N ATOM 1509 CA ILE A 131 -10.249 -4.886 1.598 1.00 0.16 C ATOM 1510 C ILE A 131 -9.802 -5.820 2.717 1.00 0.17 C ATOM 1511 O ILE A 131 -9.787 -7.042 2.552 1.00 0.16 O ATOM 1512 CB ILE A 131 -9.015 -4.110 1.083 1.00 0.18 C ATOM 1513 CG1 ILE A 131 -9.292 -2.609 0.987 1.00 0.28 C ATOM 1514 CG2 ILE A 131 -8.594 -4.655 -0.274 1.00 0.29 C ATOM 1515 CD1 ILE A 131 -8.032 -1.776 0.866 1.00 0.27 C ATOM 0 H ILE A 131 -11.173 -3.012 1.861 1.00 0.18 H new ATOM 0 HA ILE A 131 -10.663 -5.463 0.772 1.00 0.16 H new ATOM 0 HB ILE A 131 -8.205 -4.250 1.799 1.00 0.18 H new ATOM 0 HG12 ILE A 131 -9.930 -2.418 0.124 1.00 0.28 H new ATOM 0 HG13 ILE A 131 -9.847 -2.291 1.870 1.00 0.28 H new ATOM 0 HG21 ILE A 131 -7.724 -4.105 -0.633 1.00 0.29 H new ATOM 0 HG22 ILE A 131 -8.342 -5.711 -0.180 1.00 0.29 H new ATOM 0 HG23 ILE A 131 -9.414 -4.540 -0.983 1.00 0.29 H new ATOM 0 HD11 ILE A 131 -8.298 -0.721 0.802 1.00 0.27 H new ATOM 0 HD12 ILE A 131 -7.403 -1.939 1.741 1.00 0.27 H new ATOM 0 HD13 ILE A 131 -7.488 -2.068 -0.032 1.00 0.27 H new ATOM 1527 N SER A 132 -9.435 -5.238 3.852 1.00 0.20 N ATOM 1528 CA SER A 132 -9.001 -6.013 5.005 1.00 0.23 C ATOM 1529 C SER A 132 -10.040 -7.069 5.379 1.00 0.23 C ATOM 1530 O SER A 132 -9.706 -8.236 5.590 1.00 0.26 O ATOM 1531 CB SER A 132 -8.749 -5.084 6.192 1.00 0.27 C ATOM 1532 OG SER A 132 -8.386 -5.815 7.348 1.00 1.02 O ATOM 0 H SER A 132 -9.430 -4.228 3.998 1.00 0.20 H new ATOM 0 HA SER A 132 -8.075 -6.525 4.744 1.00 0.23 H new ATOM 0 HB2 SER A 132 -7.957 -4.378 5.942 1.00 0.27 H new ATOM 0 HB3 SER A 132 -9.646 -4.499 6.396 1.00 0.27 H new ATOM 0 HG SER A 132 -9.193 -6.163 7.782 1.00 1.02 H new ATOM 1538 N ASP A 133 -11.299 -6.652 5.469 1.00 0.23 N ATOM 1539 CA ASP A 133 -12.389 -7.559 5.824 1.00 0.26 C ATOM 1540 C ASP A 133 -12.418 -8.799 4.933 1.00 0.25 C ATOM 1541 O ASP A 133 -12.842 -9.871 5.365 1.00 0.36 O ATOM 1542 CB ASP A 133 -13.728 -6.828 5.725 1.00 0.28 C ATOM 1543 CG ASP A 133 -14.897 -7.701 6.137 1.00 0.33 C ATOM 1544 OD1 ASP A 133 -15.235 -7.711 7.339 1.00 0.37 O ATOM 1545 OD2 ASP A 133 -15.475 -8.374 5.258 1.00 0.37 O ATOM 0 H ASP A 133 -11.592 -5.690 5.301 1.00 0.23 H new ATOM 0 HA ASP A 133 -12.217 -7.889 6.849 1.00 0.26 H new ATOM 0 HB2 ASP A 133 -13.701 -5.940 6.357 1.00 0.28 H new ATOM 0 HB3 ASP A 133 -13.877 -6.486 4.701 1.00 0.28 H new ATOM 1550 N ILE A 134 -11.965 -8.652 3.693 1.00 0.16 N ATOM 1551 CA ILE A 134 -11.969 -9.765 2.744 1.00 0.16 C ATOM 1552 C ILE A 134 -10.842 -10.772 2.997 1.00 0.16 C ATOM 1553 O ILE A 134 -11.092 -11.973 3.091 1.00 0.26 O ATOM 1554 CB ILE A 134 -11.870 -9.261 1.288 1.00 0.17 C ATOM 1555 CG1 ILE A 134 -13.000 -8.273 0.990 1.00 0.17 C ATOM 1556 CG2 ILE A 134 -11.915 -10.431 0.315 1.00 0.22 C ATOM 1557 CD1 ILE A 134 -12.911 -7.639 -0.383 1.00 0.18 C ATOM 0 H ILE A 134 -11.592 -7.779 3.320 1.00 0.16 H new ATOM 0 HA ILE A 134 -12.920 -10.275 2.897 1.00 0.16 H new ATOM 0 HB ILE A 134 -10.917 -8.746 1.163 1.00 0.17 H new ATOM 0 HG12 ILE A 134 -13.955 -8.790 1.080 1.00 0.17 H new ATOM 0 HG13 ILE A 134 -12.991 -7.486 1.745 1.00 0.17 H new ATOM 0 HG21 ILE A 134 -11.844 -10.058 -0.707 1.00 0.22 H new ATOM 0 HG22 ILE A 134 -11.080 -11.103 0.515 1.00 0.22 H new ATOM 0 HG23 ILE A 134 -12.853 -10.972 0.439 1.00 0.22 H new ATOM 0 HD11 ILE A 134 -13.745 -6.951 -0.521 1.00 0.18 H new ATOM 0 HD12 ILE A 134 -11.972 -7.093 -0.471 1.00 0.18 H new ATOM 0 HD13 ILE A 134 -12.952 -8.416 -1.146 1.00 0.18 H new ATOM 1569 N VAL A 135 -9.607 -10.285 3.107 1.00 0.15 N ATOM 1570 CA VAL A 135 -8.454 -11.170 3.310 1.00 0.17 C ATOM 1571 C VAL A 135 -8.565 -12.041 4.565 1.00 0.19 C ATOM 1572 O VAL A 135 -8.260 -13.231 4.525 1.00 0.25 O ATOM 1573 CB VAL A 135 -7.116 -10.393 3.373 1.00 0.17 C ATOM 1574 CG1 VAL A 135 -7.304 -8.978 3.894 1.00 0.18 C ATOM 1575 CG2 VAL A 135 -6.121 -11.131 4.249 1.00 0.23 C ATOM 0 H VAL A 135 -9.377 -9.292 3.060 1.00 0.15 H new ATOM 0 HA VAL A 135 -8.461 -11.820 2.435 1.00 0.17 H new ATOM 0 HB VAL A 135 -6.732 -10.327 2.355 1.00 0.17 H new ATOM 0 HG11 VAL A 135 -6.340 -8.469 3.922 1.00 0.18 H new ATOM 0 HG12 VAL A 135 -7.982 -8.435 3.236 1.00 0.18 H new ATOM 0 HG13 VAL A 135 -7.725 -9.013 4.899 1.00 0.18 H new ATOM 0 HG21 VAL A 135 -5.185 -10.574 4.285 1.00 0.23 H new ATOM 0 HG22 VAL A 135 -6.525 -11.227 5.257 1.00 0.23 H new ATOM 0 HG23 VAL A 135 -5.938 -12.123 3.836 1.00 0.23 H new ATOM 1585 N GLN A 136 -8.973 -11.446 5.672 1.00 0.22 N ATOM 1586 CA GLN A 136 -9.076 -12.162 6.945 1.00 0.29 C ATOM 1587 C GLN A 136 -9.721 -13.538 6.800 1.00 0.42 C ATOM 1588 O GLN A 136 -9.283 -14.502 7.428 1.00 0.52 O ATOM 1589 CB GLN A 136 -9.839 -11.309 7.949 1.00 0.31 C ATOM 1590 CG GLN A 136 -9.181 -9.963 8.170 1.00 0.37 C ATOM 1591 CD GLN A 136 -10.136 -8.922 8.702 1.00 0.52 C ATOM 1592 OE1 GLN A 136 -9.925 -7.683 8.289 1.00 0.91 O flip ATOM 1593 NE2 GLN A 136 -11.056 -9.228 9.461 1.00 0.54 N flip ATOM 0 H GLN A 136 -9.241 -10.463 5.721 1.00 0.22 H new ATOM 0 HA GLN A 136 -8.063 -12.338 7.307 1.00 0.29 H new ATOM 0 HB2 GLN A 136 -10.859 -11.160 7.596 1.00 0.31 H new ATOM 0 HB3 GLN A 136 -9.905 -11.840 8.899 1.00 0.31 H new ATOM 0 HG2 GLN A 136 -8.353 -10.080 8.869 1.00 0.37 H new ATOM 0 HG3 GLN A 136 -8.757 -9.613 7.229 1.00 0.37 H new ATOM 0 HE21 GLN A 136 -11.177 -10.199 9.751 1.00 0.54 H new ATOM 0 HE22 GLN A 136 -11.697 -8.511 9.800 1.00 0.54 H new