USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=26 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 33:sc= -0.676 USER MOD Set 1.2: A 136 GLN :FLIP amide:sc= -0.0835 F(o=-4.3!,f=-0.76) USER MOD Set 2.1: A 68 LYS NZ :NH3+ 137:sc= -2.89 (180deg=-3.46!) USER MOD Set 2.2: A 105 GLN :FLIP amide:sc= -4.94! C(o=-13!,f=-7.8!) USER MOD Set 3.1: A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.00038) USER MOD Set 3.2: A 61 SER OG : rot 180:sc= 0 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 -162:sc= 2.03 USER MOD Single : A 43 THR OG1 : rot 46:sc= -0.799! USER MOD Single : A 47 CYS SG : rot -14:sc= -0.0204 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0.522 K(o=0.52,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot -68:sc= 0.833 USER MOD Single : A 76 SER OG : rot -20:sc= 0.197 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN :FLIP amide:sc= -3.01! C(o=-7.4!,f=-3!) USER MOD Single : A 83 GLN :FLIP amide:sc= -0.326 F(o=-4.4!,f=-0.33) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN :FLIP amide:sc= -9.58! C(o=-17!,f=-9.6!) USER MOD Single : A 87 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0447) USER MOD Single : A 95 ASN :FLIP amide:sc= -2.04 F(o=-5.8!,f=-2) USER MOD Single : A 96 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0236) USER MOD Single : A 99 ASN : amide:sc= 0.343 X(o=0.34,f=0) USER MOD Single : A 100 ASN :FLIP amide:sc= -5.81! C(o=-8.5!,f=-5.8!) USER MOD Single : A 122 SER OG : rot 180:sc= -0.81 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot -21:sc= 1.19 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 5.787 -9.294 1.862 1.00 0.39 N ATOM 30 CA ILE A 34 4.588 -8.636 1.376 1.00 0.25 C ATOM 31 C ILE A 34 3.387 -9.571 1.436 1.00 0.24 C ATOM 32 O ILE A 34 3.099 -10.303 0.488 1.00 0.25 O ATOM 33 CB ILE A 34 4.744 -8.119 -0.070 1.00 0.25 C ATOM 34 CG1 ILE A 34 5.859 -7.079 -0.157 1.00 0.29 C ATOM 35 CG2 ILE A 34 3.427 -7.527 -0.564 1.00 0.32 C ATOM 36 CD1 ILE A 34 5.553 -5.808 0.597 1.00 0.35 C ATOM 0 HA ILE A 34 4.426 -7.781 2.033 1.00 0.25 H new ATOM 0 HB ILE A 34 5.012 -8.961 -0.708 1.00 0.25 H new ATOM 0 HG12 ILE A 34 6.780 -7.511 0.233 1.00 0.29 H new ATOM 0 HG13 ILE A 34 6.039 -6.837 -1.204 1.00 0.29 H new ATOM 0 HG21 ILE A 34 3.551 -7.166 -1.585 1.00 0.32 H new ATOM 0 HG22 ILE A 34 2.652 -8.294 -0.541 1.00 0.32 H new ATOM 0 HG23 ILE A 34 3.136 -6.698 0.081 1.00 0.32 H new ATOM 0 HD11 ILE A 34 6.387 -5.114 0.493 1.00 0.35 H new ATOM 0 HD12 ILE A 34 4.649 -5.353 0.192 1.00 0.35 H new ATOM 0 HD13 ILE A 34 5.402 -6.038 1.652 1.00 0.35 H new ATOM 48 N THR A 35 2.693 -9.534 2.559 1.00 0.25 N ATOM 49 CA THR A 35 1.506 -10.347 2.761 1.00 0.26 C ATOM 50 C THR A 35 0.352 -9.438 3.161 1.00 0.23 C ATOM 51 O THR A 35 0.383 -8.240 2.885 1.00 0.31 O ATOM 52 CB THR A 35 1.724 -11.409 3.857 1.00 0.33 C ATOM 53 OG1 THR A 35 2.070 -10.775 5.093 1.00 0.36 O ATOM 54 CG2 THR A 35 2.823 -12.382 3.457 1.00 0.35 C ATOM 0 H THR A 35 2.934 -8.942 3.354 1.00 0.25 H new ATOM 0 HA THR A 35 1.282 -10.869 1.830 1.00 0.26 H new ATOM 0 HB THR A 35 0.795 -11.965 3.982 1.00 0.33 H new ATOM 0 HG1 THR A 35 2.205 -11.457 5.784 1.00 0.36 H new ATOM 0 HG21 THR A 35 2.959 -13.122 4.246 1.00 0.35 H new ATOM 0 HG22 THR A 35 2.544 -12.885 2.531 1.00 0.35 H new ATOM 0 HG23 THR A 35 3.755 -11.837 3.307 1.00 0.35 H new ATOM 62 N LYS A 36 -0.671 -9.989 3.789 1.00 0.18 N ATOM 63 CA LYS A 36 -1.781 -9.162 4.230 1.00 0.15 C ATOM 64 C LYS A 36 -1.298 -8.220 5.322 1.00 0.12 C ATOM 65 O LYS A 36 -1.741 -7.079 5.421 1.00 0.14 O ATOM 66 CB LYS A 36 -2.941 -10.015 4.737 1.00 0.20 C ATOM 67 CG LYS A 36 -3.590 -9.456 5.995 1.00 0.27 C ATOM 68 CD LYS A 36 -4.634 -10.391 6.590 1.00 0.61 C ATOM 69 CE LYS A 36 -4.056 -11.764 6.903 1.00 0.57 C ATOM 70 NZ LYS A 36 -5.070 -12.668 7.514 1.00 0.99 N ATOM 0 H LYS A 36 -0.758 -10.983 4.002 1.00 0.18 H new ATOM 0 HA LYS A 36 -2.147 -8.584 3.381 1.00 0.15 H new ATOM 0 HB2 LYS A 36 -3.694 -10.096 3.953 1.00 0.20 H new ATOM 0 HB3 LYS A 36 -2.581 -11.024 4.939 1.00 0.20 H new ATOM 0 HG2 LYS A 36 -2.818 -9.261 6.740 1.00 0.27 H new ATOM 0 HG3 LYS A 36 -4.057 -8.499 5.762 1.00 0.27 H new ATOM 0 HD2 LYS A 36 -5.038 -9.951 7.502 1.00 0.61 H new ATOM 0 HD3 LYS A 36 -5.465 -10.498 5.893 1.00 0.61 H new ATOM 0 HE2 LYS A 36 -3.674 -12.214 5.987 1.00 0.57 H new ATOM 0 HE3 LYS A 36 -3.210 -11.656 7.582 1.00 0.57 H new ATOM 0 HZ1 LYS A 36 -4.637 -13.592 7.712 1.00 0.99 H new ATOM 0 HZ2 LYS A 36 -5.417 -12.251 8.401 1.00 0.99 H new ATOM 0 HZ3 LYS A 36 -5.866 -12.792 6.856 1.00 0.99 H new ATOM 84 N GLY A 37 -0.392 -8.731 6.141 1.00 0.13 N ATOM 85 CA GLY A 37 0.175 -7.955 7.230 1.00 0.14 C ATOM 86 C GLY A 37 0.793 -6.648 6.768 1.00 0.14 C ATOM 87 O GLY A 37 0.513 -5.592 7.335 1.00 0.15 O ATOM 0 H GLY A 37 -0.033 -9.683 6.071 1.00 0.13 H new ATOM 0 HA2 GLY A 37 -0.604 -7.743 7.962 1.00 0.14 H new ATOM 0 HA3 GLY A 37 0.935 -8.551 7.736 1.00 0.14 H new ATOM 91 N VAL A 38 1.636 -6.711 5.738 1.00 0.15 N ATOM 92 CA VAL A 38 2.282 -5.511 5.212 1.00 0.16 C ATOM 93 C VAL A 38 1.238 -4.582 4.615 1.00 0.15 C ATOM 94 O VAL A 38 1.321 -3.360 4.736 1.00 0.16 O ATOM 95 CB VAL A 38 3.321 -5.859 4.121 1.00 0.21 C ATOM 96 CG1 VAL A 38 2.636 -6.400 2.878 1.00 1.11 C ATOM 97 CG2 VAL A 38 4.168 -4.651 3.761 1.00 1.28 C ATOM 0 H VAL A 38 1.886 -7.574 5.255 1.00 0.15 H new ATOM 0 HA VAL A 38 2.795 -5.023 6.040 1.00 0.16 H new ATOM 0 HB VAL A 38 3.977 -6.630 4.527 1.00 0.21 H new ATOM 0 HG11 VAL A 38 3.386 -6.638 2.124 1.00 1.11 H new ATOM 0 HG12 VAL A 38 2.079 -7.301 3.133 1.00 1.11 H new ATOM 0 HG13 VAL A 38 1.951 -5.649 2.484 1.00 1.11 H new ATOM 0 HG21 VAL A 38 4.889 -4.928 2.992 1.00 1.28 H new ATOM 0 HG22 VAL A 38 3.525 -3.855 3.386 1.00 1.28 H new ATOM 0 HG23 VAL A 38 4.699 -4.302 4.647 1.00 1.28 H new ATOM 107 N VAL A 39 0.257 -5.194 3.973 1.00 0.14 N ATOM 108 CA VAL A 39 -0.822 -4.468 3.337 1.00 0.15 C ATOM 109 C VAL A 39 -1.669 -3.728 4.369 1.00 0.14 C ATOM 110 O VAL A 39 -2.147 -2.628 4.112 1.00 0.17 O ATOM 111 CB VAL A 39 -1.670 -5.427 2.471 1.00 0.15 C ATOM 112 CG1 VAL A 39 -3.158 -5.125 2.544 1.00 0.15 C ATOM 113 CG2 VAL A 39 -1.183 -5.370 1.033 1.00 0.17 C ATOM 0 H VAL A 39 0.189 -6.207 3.880 1.00 0.14 H new ATOM 0 HA VAL A 39 -0.397 -3.711 2.678 1.00 0.15 H new ATOM 0 HB VAL A 39 -1.541 -6.434 2.868 1.00 0.15 H new ATOM 0 HG11 VAL A 39 -3.704 -5.830 1.916 1.00 0.15 H new ATOM 0 HG12 VAL A 39 -3.498 -5.219 3.575 1.00 0.15 H new ATOM 0 HG13 VAL A 39 -3.341 -4.109 2.193 1.00 0.15 H new ATOM 0 HG21 VAL A 39 -1.779 -6.046 0.420 1.00 0.17 H new ATOM 0 HG22 VAL A 39 -1.283 -4.353 0.655 1.00 0.17 H new ATOM 0 HG23 VAL A 39 -0.136 -5.671 0.991 1.00 0.17 H new ATOM 123 N LEU A 40 -1.859 -4.332 5.534 1.00 0.13 N ATOM 124 CA LEU A 40 -2.622 -3.690 6.593 1.00 0.14 C ATOM 125 C LEU A 40 -1.839 -2.527 7.186 1.00 0.14 C ATOM 126 O LEU A 40 -2.358 -1.418 7.301 1.00 0.15 O ATOM 127 CB LEU A 40 -2.984 -4.702 7.673 1.00 0.15 C ATOM 128 CG LEU A 40 -4.101 -5.668 7.286 1.00 0.16 C ATOM 129 CD1 LEU A 40 -4.049 -6.913 8.149 1.00 0.17 C ATOM 130 CD2 LEU A 40 -5.454 -4.987 7.416 1.00 0.21 C ATOM 0 H LEU A 40 -1.499 -5.257 5.768 1.00 0.13 H new ATOM 0 HA LEU A 40 -3.545 -3.297 6.167 1.00 0.14 H new ATOM 0 HB2 LEU A 40 -2.094 -5.278 7.926 1.00 0.15 H new ATOM 0 HB3 LEU A 40 -3.282 -4.164 8.573 1.00 0.15 H new ATOM 0 HG LEU A 40 -3.959 -5.965 6.247 1.00 0.16 H new ATOM 0 HD11 LEU A 40 -4.852 -7.590 7.859 1.00 0.17 H new ATOM 0 HD12 LEU A 40 -3.089 -7.410 8.013 1.00 0.17 H new ATOM 0 HD13 LEU A 40 -4.169 -6.635 9.196 1.00 0.17 H new ATOM 0 HD21 LEU A 40 -6.242 -5.687 7.137 1.00 0.21 H new ATOM 0 HD22 LEU A 40 -5.602 -4.666 8.447 1.00 0.21 H new ATOM 0 HD23 LEU A 40 -5.489 -4.119 6.757 1.00 0.21 H new ATOM 142 N ASP A 41 -0.595 -2.787 7.574 1.00 0.16 N ATOM 143 CA ASP A 41 0.260 -1.740 8.126 1.00 0.18 C ATOM 144 C ASP A 41 0.324 -0.563 7.160 1.00 0.18 C ATOM 145 O ASP A 41 0.410 0.595 7.571 1.00 0.20 O ATOM 146 CB ASP A 41 1.666 -2.283 8.391 1.00 0.18 C ATOM 147 CG ASP A 41 2.595 -1.227 8.958 1.00 0.20 C ATOM 148 OD1 ASP A 41 2.636 -1.076 10.197 1.00 0.24 O ATOM 149 OD2 ASP A 41 3.283 -0.554 8.163 1.00 0.21 O ATOM 0 H ASP A 41 -0.158 -3.707 7.518 1.00 0.16 H new ATOM 0 HA ASP A 41 -0.163 -1.402 9.072 1.00 0.18 H new ATOM 0 HB2 ASP A 41 1.604 -3.120 9.086 1.00 0.18 H new ATOM 0 HB3 ASP A 41 2.084 -2.670 7.462 1.00 0.18 H new ATOM 154 N SER A 42 0.280 -0.881 5.870 1.00 0.17 N ATOM 155 CA SER A 42 0.318 0.128 4.819 1.00 0.19 C ATOM 156 C SER A 42 -1.012 0.880 4.726 1.00 0.24 C ATOM 157 O SER A 42 -1.028 2.108 4.614 1.00 0.34 O ATOM 158 CB SER A 42 0.710 -0.525 3.494 1.00 0.21 C ATOM 159 OG SER A 42 2.051 -0.980 3.536 1.00 0.30 O ATOM 0 H SER A 42 0.217 -1.839 5.526 1.00 0.17 H new ATOM 0 HA SER A 42 1.075 0.873 5.064 1.00 0.19 H new ATOM 0 HB2 SER A 42 0.044 -1.362 3.284 1.00 0.21 H new ATOM 0 HB3 SER A 42 0.589 0.191 2.681 1.00 0.21 H new ATOM 0 HG SER A 42 2.377 -1.121 2.623 1.00 0.30 H new ATOM 165 N THR A 43 -2.125 0.150 4.783 1.00 0.20 N ATOM 166 CA THR A 43 -3.445 0.774 4.733 1.00 0.25 C ATOM 167 C THR A 43 -3.664 1.663 5.953 1.00 0.26 C ATOM 168 O THR A 43 -4.365 2.672 5.884 1.00 0.28 O ATOM 169 CB THR A 43 -4.579 -0.269 4.687 1.00 0.33 C ATOM 170 OG1 THR A 43 -4.180 -1.460 5.369 1.00 0.42 O ATOM 171 CG2 THR A 43 -4.971 -0.603 3.255 1.00 0.38 C ATOM 0 H THR A 43 -2.139 -0.867 4.863 1.00 0.20 H new ATOM 0 HA THR A 43 -3.473 1.366 3.818 1.00 0.25 H new ATOM 0 HB THR A 43 -5.447 0.162 5.185 1.00 0.33 H new ATOM 0 HG1 THR A 43 -3.765 -1.224 6.225 1.00 0.42 H new ATOM 0 HG21 THR A 43 -5.773 -1.341 3.260 1.00 0.38 H new ATOM 0 HG22 THR A 43 -5.313 0.301 2.751 1.00 0.38 H new ATOM 0 HG23 THR A 43 -4.108 -1.008 2.727 1.00 0.38 H new ATOM 179 N GLU A 44 -3.058 1.273 7.070 1.00 0.25 N ATOM 180 CA GLU A 44 -3.178 2.015 8.317 1.00 0.27 C ATOM 181 C GLU A 44 -2.388 3.316 8.258 1.00 0.23 C ATOM 182 O GLU A 44 -2.933 4.392 8.502 1.00 0.21 O ATOM 183 CB GLU A 44 -2.687 1.156 9.481 1.00 0.31 C ATOM 184 CG GLU A 44 -3.434 1.419 10.773 1.00 0.65 C ATOM 185 CD GLU A 44 -2.846 2.566 11.575 1.00 0.79 C ATOM 186 OE1 GLU A 44 -1.892 3.207 11.087 1.00 1.52 O ATOM 187 OE2 GLU A 44 -3.342 2.822 12.693 1.00 1.06 O ATOM 0 H GLU A 44 -2.474 0.439 7.135 1.00 0.25 H new ATOM 0 HA GLU A 44 -4.229 2.263 8.469 1.00 0.27 H new ATOM 0 HB2 GLU A 44 -2.791 0.104 9.217 1.00 0.31 H new ATOM 0 HB3 GLU A 44 -1.625 1.342 9.639 1.00 0.31 H new ATOM 0 HG2 GLU A 44 -4.477 1.639 10.545 1.00 0.65 H new ATOM 0 HG3 GLU A 44 -3.425 0.515 11.382 1.00 0.65 H new ATOM 194 N ALA A 45 -1.099 3.205 7.946 1.00 0.26 N ATOM 195 CA ALA A 45 -0.228 4.373 7.854 1.00 0.26 C ATOM 196 C ALA A 45 -0.880 5.491 7.045 1.00 0.23 C ATOM 197 O ALA A 45 -0.902 6.648 7.471 1.00 0.23 O ATOM 198 CB ALA A 45 1.106 3.982 7.236 1.00 0.28 C ATOM 0 H ALA A 45 -0.635 2.318 7.753 1.00 0.26 H new ATOM 0 HA ALA A 45 -0.058 4.748 8.863 1.00 0.26 H new ATOM 0 HB1 ALA A 45 1.749 4.860 7.172 1.00 0.28 H new ATOM 0 HB2 ALA A 45 1.587 3.225 7.856 1.00 0.28 H new ATOM 0 HB3 ALA A 45 0.940 3.580 6.237 1.00 0.28 H new ATOM 204 N LEU A 46 -1.430 5.141 5.886 1.00 0.22 N ATOM 205 CA LEU A 46 -2.084 6.130 5.042 1.00 0.21 C ATOM 206 C LEU A 46 -3.407 6.562 5.660 1.00 0.18 C ATOM 207 O LEU A 46 -3.767 7.737 5.611 1.00 0.16 O ATOM 208 CB LEU A 46 -2.295 5.588 3.625 1.00 0.23 C ATOM 209 CG LEU A 46 -3.278 4.426 3.496 1.00 0.23 C ATOM 210 CD1 LEU A 46 -4.692 4.946 3.298 1.00 0.21 C ATOM 211 CD2 LEU A 46 -2.875 3.527 2.340 1.00 0.30 C ATOM 0 H LEU A 46 -1.435 4.191 5.515 1.00 0.22 H new ATOM 0 HA LEU A 46 -1.435 7.003 4.971 1.00 0.21 H new ATOM 0 HB2 LEU A 46 -2.642 6.405 2.992 1.00 0.23 H new ATOM 0 HB3 LEU A 46 -1.330 5.268 3.232 1.00 0.23 H new ATOM 0 HG LEU A 46 -3.253 3.843 4.417 1.00 0.23 H new ATOM 0 HD11 LEU A 46 -5.380 4.105 3.208 1.00 0.21 H new ATOM 0 HD12 LEU A 46 -4.978 5.558 4.153 1.00 0.21 H new ATOM 0 HD13 LEU A 46 -4.734 5.548 2.390 1.00 0.21 H new ATOM 0 HD21 LEU A 46 -3.582 2.702 2.257 1.00 0.30 H new ATOM 0 HD22 LEU A 46 -2.878 4.102 1.414 1.00 0.30 H new ATOM 0 HD23 LEU A 46 -1.875 3.131 2.518 1.00 0.30 H new ATOM 223 N CYS A 47 -4.123 5.605 6.244 1.00 0.17 N ATOM 224 CA CYS A 47 -5.401 5.890 6.885 1.00 0.16 C ATOM 225 C CYS A 47 -5.233 6.981 7.933 1.00 0.16 C ATOM 226 O CYS A 47 -6.103 7.836 8.102 1.00 0.20 O ATOM 227 CB CYS A 47 -5.973 4.627 7.532 1.00 0.19 C ATOM 228 SG CYS A 47 -7.502 4.902 8.459 1.00 0.23 S ATOM 0 H CYS A 47 -3.839 4.626 6.286 1.00 0.17 H new ATOM 0 HA CYS A 47 -6.098 6.236 6.122 1.00 0.16 H new ATOM 0 HB2 CYS A 47 -6.160 3.886 6.755 1.00 0.19 H new ATOM 0 HB3 CYS A 47 -5.225 4.204 8.203 1.00 0.19 H new ATOM 0 HG CYS A 47 -7.668 6.177 8.654 1.00 0.23 H new ATOM 234 N LEU A 48 -4.105 6.943 8.636 1.00 0.17 N ATOM 235 CA LEU A 48 -3.812 7.935 9.659 1.00 0.18 C ATOM 236 C LEU A 48 -3.535 9.281 9.013 1.00 0.18 C ATOM 237 O LEU A 48 -3.939 10.322 9.534 1.00 0.23 O ATOM 238 CB LEU A 48 -2.624 7.492 10.514 1.00 0.21 C ATOM 239 CG LEU A 48 -2.995 6.752 11.804 1.00 0.23 C ATOM 240 CD1 LEU A 48 -3.519 7.728 12.846 1.00 1.20 C ATOM 241 CD2 LEU A 48 -4.030 5.670 11.526 1.00 1.14 C ATOM 0 H LEU A 48 -3.381 6.235 8.514 1.00 0.17 H new ATOM 0 HA LEU A 48 -4.680 8.033 10.311 1.00 0.18 H new ATOM 0 HB2 LEU A 48 -1.984 6.846 9.913 1.00 0.21 H new ATOM 0 HB3 LEU A 48 -2.035 8.371 10.774 1.00 0.21 H new ATOM 0 HG LEU A 48 -2.095 6.276 12.194 1.00 0.23 H new ATOM 0 HD11 LEU A 48 -3.778 7.185 13.755 1.00 1.20 H new ATOM 0 HD12 LEU A 48 -2.750 8.468 13.071 1.00 1.20 H new ATOM 0 HD13 LEU A 48 -4.405 8.232 12.460 1.00 1.20 H new ATOM 0 HD21 LEU A 48 -4.279 5.157 12.455 1.00 1.14 H new ATOM 0 HD22 LEU A 48 -4.929 6.125 11.110 1.00 1.14 H new ATOM 0 HD23 LEU A 48 -3.624 4.952 10.813 1.00 1.14 H new ATOM 253 N ALA A 49 -2.838 9.262 7.879 1.00 0.16 N ATOM 254 CA ALA A 49 -2.546 10.493 7.161 1.00 0.18 C ATOM 255 C ALA A 49 -3.840 11.232 6.863 1.00 0.18 C ATOM 256 O ALA A 49 -3.939 12.439 7.077 1.00 0.28 O ATOM 257 CB ALA A 49 -1.794 10.211 5.875 1.00 0.19 C ATOM 0 H ALA A 49 -2.470 8.416 7.444 1.00 0.16 H new ATOM 0 HA ALA A 49 -1.911 11.117 7.790 1.00 0.18 H new ATOM 0 HB1 ALA A 49 -1.590 11.150 5.360 1.00 0.19 H new ATOM 0 HB2 ALA A 49 -0.853 9.711 6.106 1.00 0.19 H new ATOM 0 HB3 ALA A 49 -2.398 9.569 5.234 1.00 0.19 H new ATOM 263 N ILE A 50 -4.837 10.495 6.371 1.00 0.12 N ATOM 264 CA ILE A 50 -6.133 11.090 6.076 1.00 0.14 C ATOM 265 C ILE A 50 -6.732 11.621 7.364 1.00 0.18 C ATOM 266 O ILE A 50 -7.341 12.691 7.391 1.00 0.21 O ATOM 267 CB ILE A 50 -7.132 10.100 5.436 1.00 0.14 C ATOM 268 CG1 ILE A 50 -6.417 9.017 4.625 1.00 0.15 C ATOM 269 CG2 ILE A 50 -8.089 10.865 4.540 1.00 0.17 C ATOM 270 CD1 ILE A 50 -7.349 7.968 4.056 1.00 0.18 C ATOM 0 H ILE A 50 -4.770 9.497 6.172 1.00 0.12 H new ATOM 0 HA ILE A 50 -5.961 11.885 5.351 1.00 0.14 H new ATOM 0 HB ILE A 50 -7.680 9.604 6.237 1.00 0.14 H new ATOM 0 HG12 ILE A 50 -5.872 9.488 3.807 1.00 0.15 H new ATOM 0 HG13 ILE A 50 -5.678 8.528 5.260 1.00 0.15 H new ATOM 0 HG21 ILE A 50 -8.796 10.171 4.086 1.00 0.17 H new ATOM 0 HG22 ILE A 50 -8.633 11.601 5.133 1.00 0.17 H new ATOM 0 HG23 ILE A 50 -7.526 11.374 3.757 1.00 0.17 H new ATOM 0 HD11 ILE A 50 -6.771 7.234 3.494 1.00 0.18 H new ATOM 0 HD12 ILE A 50 -7.876 7.469 4.870 1.00 0.18 H new ATOM 0 HD13 ILE A 50 -8.072 8.444 3.394 1.00 0.18 H new ATOM 282 N SER A 51 -6.552 10.853 8.437 1.00 0.25 N ATOM 283 CA SER A 51 -7.035 11.251 9.748 1.00 0.31 C ATOM 284 C SER A 51 -6.345 12.546 10.146 1.00 0.35 C ATOM 285 O SER A 51 -6.786 13.257 11.051 1.00 0.40 O ATOM 286 CB SER A 51 -6.740 10.160 10.782 1.00 0.35 C ATOM 287 OG SER A 51 -7.458 10.387 11.983 1.00 0.45 O ATOM 0 H SER A 51 -6.074 9.952 8.419 1.00 0.25 H new ATOM 0 HA SER A 51 -8.114 11.399 9.710 1.00 0.31 H new ATOM 0 HB2 SER A 51 -7.008 9.186 10.373 1.00 0.35 H new ATOM 0 HB3 SER A 51 -5.671 10.134 10.993 1.00 0.35 H new ATOM 0 HG SER A 51 -7.253 9.676 12.626 1.00 0.45 H new ATOM 293 N ARG A 52 -5.250 12.834 9.447 1.00 0.33 N ATOM 294 CA ARG A 52 -4.471 14.036 9.687 1.00 0.40 C ATOM 295 C ARG A 52 -4.685 15.058 8.569 1.00 0.41 C ATOM 296 O ARG A 52 -5.755 15.660 8.474 1.00 0.85 O ATOM 297 CB ARG A 52 -2.992 13.691 9.824 1.00 0.46 C ATOM 298 CG ARG A 52 -2.686 12.842 11.045 1.00 1.01 C ATOM 299 CD ARG A 52 -1.194 12.668 11.221 1.00 1.09 C ATOM 300 NE ARG A 52 -0.853 11.366 11.791 1.00 1.61 N ATOM 301 CZ ARG A 52 0.362 10.830 11.728 1.00 1.97 C ATOM 302 NH1 ARG A 52 1.345 11.479 11.121 1.00 1.88 N ATOM 303 NH2 ARG A 52 0.594 9.642 12.272 1.00 2.91 N ATOM 0 H ARG A 52 -4.883 12.241 8.703 1.00 0.33 H new ATOM 0 HA ARG A 52 -4.811 14.483 10.621 1.00 0.40 H new ATOM 0 HB2 ARG A 52 -2.665 13.161 8.930 1.00 0.46 H new ATOM 0 HB3 ARG A 52 -2.414 14.614 9.877 1.00 0.46 H new ATOM 0 HG2 ARG A 52 -3.109 13.310 11.934 1.00 1.01 H new ATOM 0 HG3 ARG A 52 -3.160 11.866 10.943 1.00 1.01 H new ATOM 0 HD2 ARG A 52 -0.701 12.780 10.256 1.00 1.09 H new ATOM 0 HD3 ARG A 52 -0.812 13.457 11.868 1.00 1.09 H new ATOM 0 HE ARG A 52 -1.588 10.839 12.263 1.00 1.61 H new ATOM 0 HH11 ARG A 52 1.170 12.392 10.701 1.00 1.88 H new ATOM 0 HH12 ARG A 52 2.276 11.066 11.074 1.00 1.88 H new ATOM 0 HH21 ARG A 52 -0.160 9.139 12.739 1.00 2.91 H new ATOM 0 HH22 ARG A 52 1.527 9.232 12.223 1.00 2.91 H new ATOM 412 N HIS A 60 -2.861 16.237 0.976 1.00 0.54 N ATOM 413 CA HIS A 60 -3.580 15.099 0.419 1.00 0.41 C ATOM 414 C HIS A 60 -2.592 14.150 -0.244 1.00 0.37 C ATOM 415 O HIS A 60 -2.898 12.986 -0.496 1.00 0.60 O ATOM 416 CB HIS A 60 -4.630 15.566 -0.596 1.00 0.56 C ATOM 417 CG HIS A 60 -4.075 15.829 -1.961 1.00 0.48 C ATOM 418 ND1 HIS A 60 -3.196 16.858 -2.193 1.00 1.10 N ATOM 419 CD2 HIS A 60 -4.296 15.166 -3.122 1.00 0.48 C ATOM 420 CE1 HIS A 60 -2.901 16.799 -3.479 1.00 1.30 C ATOM 421 NE2 HIS A 60 -3.545 15.790 -4.085 1.00 0.80 N ATOM 0 HA HIS A 60 -4.096 14.578 1.225 1.00 0.41 H new ATOM 0 HB2 HIS A 60 -5.411 14.809 -0.671 1.00 0.56 H new ATOM 0 HB3 HIS A 60 -5.102 16.476 -0.224 1.00 0.56 H new ATOM 0 HD2 HIS A 60 -4.940 14.310 -3.262 1.00 0.48 H new ATOM 0 HE1 HIS A 60 -2.226 17.478 -3.980 1.00 1.30 H new ATOM 0 HE2 HIS A 60 -3.487 15.536 -5.071 1.00 0.80 H new ATOM 429 N SER A 61 -1.400 14.671 -0.528 1.00 0.33 N ATOM 430 CA SER A 61 -0.345 13.886 -1.151 1.00 0.40 C ATOM 431 C SER A 61 0.206 12.864 -0.166 1.00 0.29 C ATOM 432 O SER A 61 1.002 12.005 -0.531 1.00 0.28 O ATOM 433 CB SER A 61 0.779 14.799 -1.643 1.00 0.58 C ATOM 434 OG SER A 61 0.299 15.731 -2.598 1.00 1.58 O ATOM 0 H SER A 61 -1.143 15.639 -0.334 1.00 0.33 H new ATOM 0 HA SER A 61 -0.767 13.358 -2.006 1.00 0.40 H new ATOM 0 HB2 SER A 61 1.215 15.332 -0.798 1.00 0.58 H new ATOM 0 HB3 SER A 61 1.573 14.197 -2.085 1.00 0.58 H new ATOM 0 HG SER A 61 1.036 16.304 -2.895 1.00 1.58 H new ATOM 440 N ALA A 62 -0.221 12.971 1.088 1.00 0.26 N ATOM 441 CA ALA A 62 0.218 12.049 2.126 1.00 0.24 C ATOM 442 C ALA A 62 -0.562 10.745 2.028 1.00 0.19 C ATOM 443 O ALA A 62 0.010 9.657 2.067 1.00 0.21 O ATOM 444 CB ALA A 62 0.041 12.678 3.503 1.00 0.33 C ATOM 0 H ALA A 62 -0.871 13.688 1.409 1.00 0.26 H new ATOM 0 HA ALA A 62 1.277 11.833 1.982 1.00 0.24 H new ATOM 0 HB1 ALA A 62 0.373 11.977 4.269 1.00 0.33 H new ATOM 0 HB2 ALA A 62 0.633 13.591 3.565 1.00 0.33 H new ATOM 0 HB3 ALA A 62 -1.011 12.917 3.662 1.00 0.33 H new ATOM 450 N VAL A 63 -1.876 10.875 1.899 1.00 0.18 N ATOM 451 CA VAL A 63 -2.756 9.720 1.768 1.00 0.16 C ATOM 452 C VAL A 63 -2.689 9.179 0.343 1.00 0.15 C ATOM 453 O VAL A 63 -2.900 7.994 0.098 1.00 0.18 O ATOM 454 CB VAL A 63 -4.218 10.076 2.136 1.00 0.17 C ATOM 455 CG1 VAL A 63 -4.525 11.535 1.812 1.00 0.21 C ATOM 456 CG2 VAL A 63 -5.205 9.150 1.431 1.00 0.19 C ATOM 0 H VAL A 63 -2.358 11.774 1.882 1.00 0.18 H new ATOM 0 HA VAL A 63 -2.416 8.954 2.464 1.00 0.16 H new ATOM 0 HB VAL A 63 -4.331 9.935 3.211 1.00 0.17 H new ATOM 0 HG11 VAL A 63 -5.558 11.758 2.080 1.00 0.21 H new ATOM 0 HG12 VAL A 63 -3.855 12.182 2.378 1.00 0.21 H new ATOM 0 HG13 VAL A 63 -4.382 11.709 0.746 1.00 0.21 H new ATOM 0 HG21 VAL A 63 -6.223 9.424 1.709 1.00 0.19 H new ATOM 0 HG22 VAL A 63 -5.085 9.245 0.352 1.00 0.19 H new ATOM 0 HG23 VAL A 63 -5.013 8.119 1.728 1.00 0.19 H new ATOM 466 N LEU A 64 -2.408 10.079 -0.588 1.00 0.16 N ATOM 467 CA LEU A 64 -2.282 9.741 -2.002 1.00 0.18 C ATOM 468 C LEU A 64 -0.972 8.997 -2.274 1.00 0.20 C ATOM 469 O LEU A 64 -0.975 7.932 -2.889 1.00 0.24 O ATOM 470 CB LEU A 64 -2.356 11.022 -2.850 1.00 0.17 C ATOM 471 CG LEU A 64 -2.858 10.857 -4.293 1.00 0.17 C ATOM 472 CD1 LEU A 64 -1.742 10.379 -5.209 1.00 0.23 C ATOM 473 CD2 LEU A 64 -4.045 9.901 -4.348 1.00 0.24 C ATOM 0 H LEU A 64 -2.260 11.068 -0.386 1.00 0.16 H new ATOM 0 HA LEU A 64 -3.105 9.081 -2.276 1.00 0.18 H new ATOM 0 HB2 LEU A 64 -3.007 11.732 -2.341 1.00 0.17 H new ATOM 0 HB3 LEU A 64 -1.362 11.468 -2.883 1.00 0.17 H new ATOM 0 HG LEU A 64 -3.189 11.834 -4.645 1.00 0.17 H new ATOM 0 HD11 LEU A 64 -2.125 10.271 -6.224 1.00 0.23 H new ATOM 0 HD12 LEU A 64 -0.930 11.106 -5.203 1.00 0.23 H new ATOM 0 HD13 LEU A 64 -1.370 9.417 -4.857 1.00 0.23 H new ATOM 0 HD21 LEU A 64 -4.383 9.800 -5.379 1.00 0.24 H new ATOM 0 HD22 LEU A 64 -3.744 8.925 -3.967 1.00 0.24 H new ATOM 0 HD23 LEU A 64 -4.857 10.294 -3.737 1.00 0.24 H new ATOM 485 N GLU A 65 0.146 9.566 -1.816 1.00 0.19 N ATOM 486 CA GLU A 65 1.454 8.937 -2.004 1.00 0.22 C ATOM 487 C GLU A 65 1.487 7.595 -1.285 1.00 0.20 C ATOM 488 O GLU A 65 1.848 6.568 -1.864 1.00 0.21 O ATOM 489 CB GLU A 65 2.568 9.844 -1.472 1.00 0.23 C ATOM 490 CG GLU A 65 3.947 9.202 -1.500 1.00 0.32 C ATOM 491 CD GLU A 65 5.023 10.107 -0.933 1.00 1.32 C ATOM 492 OE1 GLU A 65 5.228 10.085 0.300 1.00 2.32 O ATOM 493 OE2 GLU A 65 5.660 10.839 -1.720 1.00 1.65 O ATOM 0 H GLU A 65 0.171 10.455 -1.316 1.00 0.19 H new ATOM 0 HA GLU A 65 1.617 8.779 -3.070 1.00 0.22 H new ATOM 0 HB2 GLU A 65 2.592 10.760 -2.063 1.00 0.23 H new ATOM 0 HB3 GLU A 65 2.332 10.131 -0.447 1.00 0.23 H new ATOM 0 HG2 GLU A 65 3.923 8.272 -0.931 1.00 0.32 H new ATOM 0 HG3 GLU A 65 4.201 8.941 -2.527 1.00 0.32 H new ATOM 500 N ALA A 66 1.096 7.622 -0.018 1.00 0.18 N ATOM 501 CA ALA A 66 1.048 6.412 0.783 1.00 0.16 C ATOM 502 C ALA A 66 -0.015 5.499 0.206 1.00 0.22 C ATOM 503 O ALA A 66 0.045 4.277 0.342 1.00 0.29 O ATOM 504 CB ALA A 66 0.746 6.732 2.238 1.00 0.16 C ATOM 0 H ALA A 66 0.809 8.468 0.474 1.00 0.18 H new ATOM 0 HA ALA A 66 2.019 5.918 0.755 1.00 0.16 H new ATOM 0 HB1 ALA A 66 0.716 5.808 2.815 1.00 0.16 H new ATOM 0 HB2 ALA A 66 1.524 7.383 2.636 1.00 0.16 H new ATOM 0 HB3 ALA A 66 -0.219 7.235 2.307 1.00 0.16 H new ATOM 510 N GLY A 67 -0.995 6.122 -0.444 1.00 0.29 N ATOM 511 CA GLY A 67 -2.074 5.391 -1.062 1.00 0.40 C ATOM 512 C GLY A 67 -1.594 4.500 -2.189 1.00 0.26 C ATOM 513 O GLY A 67 -1.974 3.331 -2.276 1.00 0.25 O ATOM 0 H GLY A 67 -1.055 7.135 -0.551 1.00 0.29 H new ATOM 0 HA2 GLY A 67 -2.575 4.783 -0.309 1.00 0.40 H new ATOM 0 HA3 GLY A 67 -2.812 6.094 -1.447 1.00 0.40 H new ATOM 517 N LYS A 68 -0.753 5.059 -3.056 1.00 0.21 N ATOM 518 CA LYS A 68 -0.214 4.326 -4.193 1.00 0.15 C ATOM 519 C LYS A 68 0.637 3.158 -3.724 1.00 0.16 C ATOM 520 O LYS A 68 0.566 2.063 -4.283 1.00 0.21 O ATOM 521 CB LYS A 68 0.622 5.254 -5.075 1.00 0.18 C ATOM 522 CG LYS A 68 0.258 5.181 -6.550 1.00 0.66 C ATOM 523 CD LYS A 68 -1.135 5.730 -6.804 1.00 0.65 C ATOM 524 CE LYS A 68 -1.143 7.248 -6.785 1.00 0.73 C ATOM 525 NZ LYS A 68 -2.513 7.801 -6.975 1.00 0.83 N ATOM 0 H LYS A 68 -0.430 6.024 -2.989 1.00 0.21 H new ATOM 0 HA LYS A 68 -1.050 3.938 -4.775 1.00 0.15 H new ATOM 0 HB2 LYS A 68 0.498 6.280 -4.729 1.00 0.18 H new ATOM 0 HB3 LYS A 68 1.676 5.003 -4.956 1.00 0.18 H new ATOM 0 HG2 LYS A 68 0.985 5.745 -7.134 1.00 0.66 H new ATOM 0 HG3 LYS A 68 0.310 4.146 -6.889 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -1.498 5.375 -7.768 1.00 0.65 H new ATOM 0 HD3 LYS A 68 -1.821 5.351 -6.046 1.00 0.65 H new ATOM 0 HE2 LYS A 68 -0.738 7.601 -5.837 1.00 0.73 H new ATOM 0 HE3 LYS A 68 -0.488 7.624 -7.571 1.00 0.73 H new ATOM 0 HZ1 LYS A 68 -2.665 8.587 -6.311 1.00 0.83 H new ATOM 0 HZ2 LYS A 68 -2.615 8.147 -7.950 1.00 0.83 H new ATOM 0 HZ3 LYS A 68 -3.216 7.056 -6.797 1.00 0.83 H new ATOM 539 N ASN A 69 1.444 3.396 -2.696 1.00 0.16 N ATOM 540 CA ASN A 69 2.306 2.362 -2.146 1.00 0.19 C ATOM 541 C ASN A 69 1.489 1.162 -1.676 1.00 0.20 C ATOM 542 O ASN A 69 1.880 0.015 -1.882 1.00 0.23 O ATOM 543 CB ASN A 69 3.117 2.932 -0.981 1.00 0.21 C ATOM 544 CG ASN A 69 4.402 3.594 -1.437 1.00 0.25 C ATOM 545 OD1 ASN A 69 5.445 2.949 -1.540 1.00 0.53 O ATOM 546 ND2 ASN A 69 4.335 4.892 -1.710 1.00 0.30 N ATOM 0 H ASN A 69 1.518 4.299 -2.227 1.00 0.16 H new ATOM 0 HA ASN A 69 2.984 2.025 -2.930 1.00 0.19 H new ATOM 0 HB2 ASN A 69 2.510 3.658 -0.441 1.00 0.21 H new ATOM 0 HB3 ASN A 69 3.353 2.131 -0.281 1.00 0.21 H new ATOM 0 HD21 ASN A 69 5.169 5.392 -2.018 1.00 0.30 H new ATOM 0 HD22 ASN A 69 3.450 5.389 -1.611 1.00 0.30 H new ATOM 553 N LEU A 70 0.348 1.436 -1.054 1.00 0.20 N ATOM 554 CA LEU A 70 -0.528 0.384 -0.548 1.00 0.21 C ATOM 555 C LEU A 70 -1.098 -0.443 -1.691 1.00 0.19 C ATOM 556 O LEU A 70 -1.035 -1.673 -1.666 1.00 0.21 O ATOM 557 CB LEU A 70 -1.671 1.019 0.233 1.00 0.24 C ATOM 558 CG LEU A 70 -2.615 0.072 0.982 1.00 0.28 C ATOM 559 CD1 LEU A 70 -3.397 -0.805 0.046 1.00 1.00 C ATOM 560 CD2 LEU A 70 -1.853 -0.799 1.938 1.00 1.41 C ATOM 0 H LEU A 70 0.006 2.382 -0.887 1.00 0.20 H new ATOM 0 HA LEU A 70 0.053 -0.273 0.099 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -1.242 1.712 0.957 1.00 0.24 H new ATOM 0 HB3 LEU A 70 -2.267 1.612 -0.461 1.00 0.24 H new ATOM 0 HG LEU A 70 -3.313 0.704 1.531 1.00 0.28 H new ATOM 0 HD11 LEU A 70 -4.052 -1.459 0.622 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -3.997 -0.184 -0.618 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -2.710 -1.410 -0.546 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -2.545 -1.462 2.457 1.00 1.41 H new ATOM 0 HD22 LEU A 70 -1.125 -1.394 1.387 1.00 1.41 H new ATOM 0 HD23 LEU A 70 -1.335 -0.174 2.665 1.00 1.41 H new ATOM 572 N TYR A 71 -1.661 0.232 -2.694 1.00 0.15 N ATOM 573 CA TYR A 71 -2.233 -0.468 -3.835 1.00 0.14 C ATOM 574 C TYR A 71 -1.159 -1.344 -4.445 1.00 0.14 C ATOM 575 O TYR A 71 -1.438 -2.397 -5.015 1.00 0.16 O ATOM 576 CB TYR A 71 -2.784 0.514 -4.883 1.00 0.14 C ATOM 577 CG TYR A 71 -2.954 -0.103 -6.257 1.00 0.13 C ATOM 578 CD1 TYR A 71 -4.138 -0.743 -6.611 1.00 0.71 C ATOM 579 CD2 TYR A 71 -1.938 -0.037 -7.200 1.00 0.75 C ATOM 580 CE1 TYR A 71 -4.301 -1.297 -7.866 1.00 0.72 C ATOM 581 CE2 TYR A 71 -2.094 -0.591 -8.458 1.00 0.75 C ATOM 582 CZ TYR A 71 -3.259 -1.252 -8.772 1.00 0.16 C ATOM 583 OH TYR A 71 -3.435 -1.771 -10.035 1.00 0.19 O ATOM 0 H TYR A 71 -1.731 1.249 -2.737 1.00 0.15 H new ATOM 0 HA TYR A 71 -3.071 -1.077 -3.497 1.00 0.14 H new ATOM 0 HB2 TYR A 71 -3.747 0.894 -4.542 1.00 0.14 H new ATOM 0 HB3 TYR A 71 -2.112 1.369 -4.958 1.00 0.14 H new ATOM 0 HD1 TYR A 71 -4.942 -0.808 -5.893 1.00 0.71 H new ATOM 0 HD2 TYR A 71 -1.010 0.455 -6.948 1.00 0.75 H new ATOM 0 HE1 TYR A 71 -5.237 -1.762 -8.137 1.00 0.72 H new ATOM 0 HE2 TYR A 71 -1.305 -0.505 -9.190 1.00 0.75 H new ATOM 0 HH TYR A 71 -2.610 -1.661 -10.552 1.00 0.19 H new ATOM 593 N SER A 72 0.078 -0.889 -4.307 1.00 0.14 N ATOM 594 CA SER A 72 1.217 -1.614 -4.827 1.00 0.17 C ATOM 595 C SER A 72 1.430 -2.918 -4.069 1.00 0.13 C ATOM 596 O SER A 72 1.509 -3.980 -4.687 1.00 0.32 O ATOM 597 CB SER A 72 2.480 -0.754 -4.763 1.00 0.29 C ATOM 598 OG SER A 72 3.582 -1.422 -5.354 1.00 1.13 O ATOM 0 H SER A 72 0.314 -0.016 -3.836 1.00 0.14 H new ATOM 0 HA SER A 72 1.010 -1.855 -5.870 1.00 0.17 H new ATOM 0 HB2 SER A 72 2.306 0.192 -5.276 1.00 0.29 H new ATOM 0 HB3 SER A 72 2.709 -0.516 -3.724 1.00 0.29 H new ATOM 0 HG SER A 72 4.377 -0.851 -5.302 1.00 1.13 H new ATOM 604 N PHE A 73 1.527 -2.862 -2.733 1.00 0.20 N ATOM 605 CA PHE A 73 1.755 -4.084 -1.956 1.00 0.17 C ATOM 606 C PHE A 73 0.639 -5.096 -2.159 1.00 0.13 C ATOM 607 O PHE A 73 0.898 -6.285 -2.332 1.00 0.15 O ATOM 608 CB PHE A 73 1.881 -3.764 -0.464 1.00 0.24 C ATOM 609 CG PHE A 73 2.790 -2.608 -0.161 1.00 0.24 C ATOM 610 CD1 PHE A 73 4.109 -2.628 -0.580 1.00 0.27 C ATOM 611 CD2 PHE A 73 2.330 -1.505 0.542 1.00 0.23 C ATOM 612 CE1 PHE A 73 4.955 -1.570 -0.307 1.00 0.28 C ATOM 613 CE2 PHE A 73 3.171 -0.444 0.820 1.00 0.23 C ATOM 614 CZ PHE A 73 4.460 -0.459 0.406 1.00 0.26 C ATOM 0 H PHE A 73 1.453 -2.007 -2.182 1.00 0.20 H new ATOM 0 HA PHE A 73 2.688 -4.519 -2.315 1.00 0.17 H new ATOM 0 HB2 PHE A 73 0.890 -3.548 -0.065 1.00 0.24 H new ATOM 0 HB3 PHE A 73 2.249 -4.648 0.057 1.00 0.24 H new ATOM 0 HD1 PHE A 73 4.482 -3.481 -1.127 1.00 0.27 H new ATOM 0 HD2 PHE A 73 1.303 -1.475 0.876 1.00 0.23 H new ATOM 0 HE1 PHE A 73 5.983 -1.594 -0.636 1.00 0.28 H new ATOM 0 HE2 PHE A 73 2.796 0.405 1.373 1.00 0.23 H new ATOM 0 HZ PHE A 73 5.107 0.378 0.621 1.00 0.26 H new ATOM 624 N CYS A 74 -0.598 -4.620 -2.143 1.00 0.15 N ATOM 625 CA CYS A 74 -1.749 -5.484 -2.331 1.00 0.20 C ATOM 626 C CYS A 74 -1.686 -6.190 -3.687 1.00 0.16 C ATOM 627 O CYS A 74 -1.805 -7.413 -3.770 1.00 0.27 O ATOM 628 CB CYS A 74 -3.027 -4.653 -2.237 1.00 0.31 C ATOM 629 SG CYS A 74 -4.118 -5.120 -0.877 1.00 0.90 S ATOM 0 H CYS A 74 -0.828 -3.636 -2.001 1.00 0.15 H new ATOM 0 HA CYS A 74 -1.746 -6.245 -1.551 1.00 0.20 H new ATOM 0 HB2 CYS A 74 -2.756 -3.603 -2.126 1.00 0.31 H new ATOM 0 HB3 CYS A 74 -3.575 -4.744 -3.175 1.00 0.31 H new ATOM 0 HG CYS A 74 -4.617 -6.298 -1.106 1.00 0.90 H new ATOM 635 N VAL A 75 -1.499 -5.402 -4.744 1.00 0.25 N ATOM 636 CA VAL A 75 -1.423 -5.913 -6.101 1.00 0.28 C ATOM 637 C VAL A 75 -0.354 -6.985 -6.271 1.00 0.27 C ATOM 638 O VAL A 75 -0.515 -7.906 -7.070 1.00 0.29 O ATOM 639 CB VAL A 75 -1.154 -4.759 -7.083 1.00 0.37 C ATOM 640 CG1 VAL A 75 0.297 -4.719 -7.547 1.00 0.38 C ATOM 641 CG2 VAL A 75 -2.090 -4.868 -8.252 1.00 0.43 C ATOM 0 H VAL A 75 -1.396 -4.389 -4.678 1.00 0.25 H new ATOM 0 HA VAL A 75 -2.385 -6.378 -6.317 1.00 0.28 H new ATOM 0 HB VAL A 75 -1.335 -3.821 -6.559 1.00 0.37 H new ATOM 0 HG11 VAL A 75 0.435 -3.887 -8.238 1.00 0.38 H new ATOM 0 HG12 VAL A 75 0.951 -4.587 -6.685 1.00 0.38 H new ATOM 0 HG13 VAL A 75 0.544 -5.654 -8.050 1.00 0.38 H new ATOM 0 HG21 VAL A 75 -1.900 -4.051 -8.948 1.00 0.43 H new ATOM 0 HG22 VAL A 75 -1.931 -5.820 -8.758 1.00 0.43 H new ATOM 0 HG23 VAL A 75 -3.120 -4.812 -7.900 1.00 0.43 H new ATOM 651 N SER A 76 0.740 -6.857 -5.541 1.00 0.27 N ATOM 652 CA SER A 76 1.817 -7.828 -5.644 1.00 0.28 C ATOM 653 C SER A 76 1.630 -8.954 -4.631 1.00 0.23 C ATOM 654 O SER A 76 2.284 -9.994 -4.710 1.00 0.26 O ATOM 655 CB SER A 76 3.172 -7.149 -5.435 1.00 0.32 C ATOM 656 OG SER A 76 4.234 -8.082 -5.551 1.00 0.90 O ATOM 0 H SER A 76 0.906 -6.100 -4.878 1.00 0.27 H new ATOM 0 HA SER A 76 1.791 -8.258 -6.645 1.00 0.28 H new ATOM 0 HB2 SER A 76 3.301 -6.354 -6.169 1.00 0.32 H new ATOM 0 HB3 SER A 76 3.200 -6.682 -4.451 1.00 0.32 H new ATOM 0 HG SER A 76 3.888 -8.989 -5.420 1.00 0.90 H new ATOM 662 N TYR A 77 0.729 -8.730 -3.681 1.00 0.18 N ATOM 663 CA TYR A 77 0.440 -9.708 -2.638 1.00 0.16 C ATOM 664 C TYR A 77 -0.651 -10.687 -3.078 1.00 0.17 C ATOM 665 O TYR A 77 -0.722 -11.810 -2.579 1.00 0.20 O ATOM 666 CB TYR A 77 0.034 -8.976 -1.353 1.00 0.16 C ATOM 667 CG TYR A 77 -1.060 -9.653 -0.566 1.00 0.15 C ATOM 668 CD1 TYR A 77 -0.779 -10.711 0.285 1.00 0.17 C ATOM 669 CD2 TYR A 77 -2.375 -9.234 -0.682 1.00 0.20 C ATOM 670 CE1 TYR A 77 -1.779 -11.332 1.002 1.00 0.19 C ATOM 671 CE2 TYR A 77 -3.381 -9.847 0.031 1.00 0.22 C ATOM 672 CZ TYR A 77 -3.080 -10.898 0.872 1.00 0.21 C ATOM 673 OH TYR A 77 -4.083 -11.514 1.585 1.00 0.25 O ATOM 0 H TYR A 77 0.182 -7.872 -3.612 1.00 0.18 H new ATOM 0 HA TYR A 77 1.339 -10.294 -2.448 1.00 0.16 H new ATOM 0 HB2 TYR A 77 0.912 -8.873 -0.716 1.00 0.16 H new ATOM 0 HB3 TYR A 77 -0.292 -7.969 -1.611 1.00 0.16 H new ATOM 0 HD1 TYR A 77 0.240 -11.054 0.388 1.00 0.17 H new ATOM 0 HD2 TYR A 77 -2.615 -8.414 -1.342 1.00 0.20 H new ATOM 0 HE1 TYR A 77 -1.544 -12.154 1.662 1.00 0.19 H new ATOM 0 HE2 TYR A 77 -4.401 -9.506 -0.068 1.00 0.22 H new ATOM 0 HH TYR A 77 -4.940 -11.086 1.380 1.00 0.25 H new ATOM 683 N VAL A 78 -1.488 -10.263 -4.020 1.00 0.19 N ATOM 684 CA VAL A 78 -2.572 -11.112 -4.510 1.00 0.25 C ATOM 685 C VAL A 78 -2.036 -12.280 -5.328 1.00 0.27 C ATOM 686 O VAL A 78 -2.763 -13.227 -5.626 1.00 0.25 O ATOM 687 CB VAL A 78 -3.579 -10.321 -5.361 1.00 0.33 C ATOM 688 CG1 VAL A 78 -4.483 -9.494 -4.468 1.00 0.98 C ATOM 689 CG2 VAL A 78 -2.860 -9.438 -6.367 1.00 0.72 C ATOM 0 H VAL A 78 -1.439 -9.343 -4.458 1.00 0.19 H new ATOM 0 HA VAL A 78 -3.084 -11.496 -3.628 1.00 0.25 H new ATOM 0 HB VAL A 78 -4.194 -11.029 -5.917 1.00 0.33 H new ATOM 0 HG11 VAL A 78 -5.192 -8.938 -5.082 1.00 0.98 H new ATOM 0 HG12 VAL A 78 -5.028 -10.153 -3.792 1.00 0.98 H new ATOM 0 HG13 VAL A 78 -3.881 -8.795 -3.887 1.00 0.98 H new ATOM 0 HG21 VAL A 78 -3.593 -8.888 -6.958 1.00 0.72 H new ATOM 0 HG22 VAL A 78 -2.217 -8.734 -5.839 1.00 0.72 H new ATOM 0 HG23 VAL A 78 -2.253 -10.058 -7.027 1.00 0.72 H new ATOM 699 N ASP A 79 -0.760 -12.207 -5.690 1.00 0.36 N ATOM 700 CA ASP A 79 -0.125 -13.263 -6.469 1.00 0.41 C ATOM 701 C ASP A 79 0.012 -14.532 -5.631 1.00 0.43 C ATOM 702 O ASP A 79 0.425 -15.579 -6.129 1.00 0.51 O ATOM 703 CB ASP A 79 1.250 -12.804 -6.962 1.00 0.48 C ATOM 704 CG ASP A 79 1.923 -13.831 -7.851 1.00 0.68 C ATOM 705 OD1 ASP A 79 1.570 -13.904 -9.047 1.00 1.31 O ATOM 706 OD2 ASP A 79 2.805 -14.561 -7.352 1.00 0.93 O ATOM 0 H ASP A 79 -0.145 -11.427 -5.456 1.00 0.36 H new ATOM 0 HA ASP A 79 -0.752 -13.482 -7.333 1.00 0.41 H new ATOM 0 HB2 ASP A 79 1.141 -11.869 -7.511 1.00 0.48 H new ATOM 0 HB3 ASP A 79 1.889 -12.597 -6.104 1.00 0.48 H new ATOM 711 N SER A 80 -0.344 -14.425 -4.354 1.00 0.41 N ATOM 712 CA SER A 80 -0.265 -15.549 -3.435 1.00 0.46 C ATOM 713 C SER A 80 -1.641 -15.917 -2.883 1.00 0.42 C ATOM 714 O SER A 80 -1.756 -16.757 -1.990 1.00 0.46 O ATOM 715 CB SER A 80 0.684 -15.210 -2.287 1.00 0.52 C ATOM 716 OG SER A 80 2.036 -15.258 -2.710 1.00 1.49 O ATOM 0 H SER A 80 -0.692 -13.564 -3.933 1.00 0.41 H new ATOM 0 HA SER A 80 0.116 -16.410 -3.984 1.00 0.46 H new ATOM 0 HB2 SER A 80 0.455 -14.216 -1.904 1.00 0.52 H new ATOM 0 HB3 SER A 80 0.532 -15.911 -1.466 1.00 0.52 H new ATOM 0 HG SER A 80 2.622 -15.035 -1.957 1.00 1.49 H new ATOM 722 N ILE A 81 -2.682 -15.277 -3.416 1.00 0.38 N ATOM 723 CA ILE A 81 -4.057 -15.532 -2.981 1.00 0.38 C ATOM 724 C ILE A 81 -4.372 -17.026 -2.907 1.00 0.51 C ATOM 725 O ILE A 81 -5.228 -17.442 -2.127 1.00 1.39 O ATOM 726 CB ILE A 81 -5.085 -14.845 -3.929 1.00 0.29 C ATOM 727 CG1 ILE A 81 -5.211 -13.330 -3.675 1.00 0.33 C ATOM 728 CG2 ILE A 81 -6.453 -15.498 -3.819 1.00 0.40 C ATOM 729 CD1 ILE A 81 -4.850 -12.879 -2.273 1.00 0.56 C ATOM 0 H ILE A 81 -2.599 -14.576 -4.152 1.00 0.38 H new ATOM 0 HA ILE A 81 -4.142 -15.109 -1.980 1.00 0.38 H new ATOM 0 HB ILE A 81 -4.700 -14.979 -4.940 1.00 0.29 H new ATOM 0 HG12 ILE A 81 -4.572 -12.804 -4.385 1.00 0.33 H new ATOM 0 HG13 ILE A 81 -6.237 -13.027 -3.884 1.00 0.33 H new ATOM 0 HG21 ILE A 81 -7.150 -14.998 -4.492 1.00 0.40 H new ATOM 0 HG22 ILE A 81 -6.377 -16.550 -4.092 1.00 0.40 H new ATOM 0 HG23 ILE A 81 -6.815 -15.414 -2.794 1.00 0.40 H new ATOM 0 HD11 ILE A 81 -4.971 -11.798 -2.196 1.00 0.56 H new ATOM 0 HD12 ILE A 81 -5.505 -13.370 -1.553 1.00 0.56 H new ATOM 0 HD13 ILE A 81 -3.814 -13.144 -2.061 1.00 0.56 H new ATOM 741 N GLN A 82 -3.642 -17.820 -3.682 1.00 0.92 N ATOM 742 CA GLN A 82 -3.851 -19.263 -3.759 1.00 0.92 C ATOM 743 C GLN A 82 -5.216 -19.565 -4.338 1.00 0.93 C ATOM 744 O GLN A 82 -5.337 -20.062 -5.459 1.00 1.11 O ATOM 745 CB GLN A 82 -3.733 -19.920 -2.385 1.00 0.98 C ATOM 746 CG GLN A 82 -3.291 -21.374 -2.449 1.00 1.54 C ATOM 747 CD GLN A 82 -4.235 -22.281 -3.238 1.00 1.78 C ATOM 748 OE1 GLN A 82 -5.519 -21.926 -3.306 1.00 2.55 O flip ATOM 749 NE2 GLN A 82 -3.805 -23.292 -3.792 1.00 1.43 N flip ATOM 0 H GLN A 82 -2.886 -17.481 -4.277 1.00 0.92 H new ATOM 0 HA GLN A 82 -3.075 -19.671 -4.407 1.00 0.92 H new ATOM 0 HB2 GLN A 82 -3.021 -19.357 -1.781 1.00 0.98 H new ATOM 0 HB3 GLN A 82 -4.696 -19.862 -1.878 1.00 0.98 H new ATOM 0 HG2 GLN A 82 -2.299 -21.421 -2.899 1.00 1.54 H new ATOM 0 HG3 GLN A 82 -3.199 -21.759 -1.434 1.00 1.54 H new ATOM 0 HE21 GLN A 82 -2.816 -23.533 -3.718 1.00 1.43 H new ATOM 0 HE22 GLN A 82 -4.437 -23.890 -4.325 1.00 1.43 H new ATOM 758 N GLN A 83 -6.239 -19.274 -3.548 1.00 0.85 N ATOM 759 CA GLN A 83 -7.609 -19.504 -3.941 1.00 0.93 C ATOM 760 C GLN A 83 -7.867 -18.875 -5.294 1.00 0.96 C ATOM 761 O GLN A 83 -7.017 -18.169 -5.837 1.00 1.85 O ATOM 762 CB GLN A 83 -8.567 -18.924 -2.901 1.00 0.93 C ATOM 763 CG GLN A 83 -9.134 -19.935 -1.921 1.00 1.39 C ATOM 764 CD GLN A 83 -9.651 -21.194 -2.594 1.00 2.06 C ATOM 765 OE1 GLN A 83 -10.194 -21.045 -3.796 1.00 2.56 O flip ATOM 766 NE2 GLN A 83 -9.574 -22.287 -2.032 1.00 2.55 N flip ATOM 0 H GLN A 83 -6.136 -18.871 -2.617 1.00 0.85 H new ATOM 0 HA GLN A 83 -7.780 -20.578 -4.008 1.00 0.93 H new ATOM 0 HB2 GLN A 83 -8.045 -18.149 -2.340 1.00 0.93 H new ATOM 0 HB3 GLN A 83 -9.394 -18.440 -3.420 1.00 0.93 H new ATOM 0 HG2 GLN A 83 -8.362 -20.206 -1.201 1.00 1.39 H new ATOM 0 HG3 GLN A 83 -9.945 -19.472 -1.359 1.00 1.39 H new ATOM 0 HE21 GLN A 83 -9.149 -22.356 -1.108 1.00 2.55 H new ATOM 0 HE22 GLN A 83 -9.936 -23.123 -2.491 1.00 2.55 H new ATOM 775 N MET A 84 -9.043 -19.113 -5.832 1.00 0.95 N ATOM 776 CA MET A 84 -9.370 -18.590 -7.137 1.00 0.91 C ATOM 777 C MET A 84 -10.813 -18.100 -7.195 1.00 0.86 C ATOM 778 O MET A 84 -11.177 -17.308 -8.064 1.00 0.93 O ATOM 779 CB MET A 84 -9.096 -19.669 -8.165 1.00 1.14 C ATOM 780 CG MET A 84 -9.446 -21.052 -7.661 1.00 1.34 C ATOM 781 SD MET A 84 -10.135 -22.117 -8.942 1.00 1.97 S ATOM 782 CE MET A 84 -10.362 -23.643 -8.032 1.00 2.71 C ATOM 0 H MET A 84 -9.782 -19.660 -5.390 1.00 0.95 H new ATOM 0 HA MET A 84 -8.748 -17.721 -7.353 1.00 0.91 H new ATOM 0 HB2 MET A 84 -9.669 -19.459 -9.068 1.00 1.14 H new ATOM 0 HB3 MET A 84 -8.042 -19.643 -8.442 1.00 1.14 H new ATOM 0 HG2 MET A 84 -8.551 -21.520 -7.250 1.00 1.34 H new ATOM 0 HG3 MET A 84 -10.163 -20.964 -6.845 1.00 1.34 H new ATOM 0 HE1 MET A 84 -10.783 -24.401 -8.692 1.00 2.71 H new ATOM 0 HE2 MET A 84 -9.400 -23.986 -7.652 1.00 2.71 H new ATOM 0 HE3 MET A 84 -11.042 -23.471 -7.197 1.00 2.71 H new ATOM 792 N ARG A 85 -11.629 -18.583 -6.266 1.00 0.91 N ATOM 793 CA ARG A 85 -13.023 -18.167 -6.181 1.00 0.92 C ATOM 794 C ARG A 85 -13.139 -17.039 -5.164 1.00 0.87 C ATOM 795 O ARG A 85 -14.229 -16.707 -4.695 1.00 1.16 O ATOM 796 CB ARG A 85 -13.913 -19.344 -5.772 1.00 1.03 C ATOM 797 CG ARG A 85 -13.528 -19.962 -4.438 1.00 1.44 C ATOM 798 CD ARG A 85 -14.507 -21.050 -4.022 1.00 1.51 C ATOM 799 NE ARG A 85 -14.563 -22.139 -4.993 1.00 1.72 N ATOM 800 CZ ARG A 85 -15.546 -23.033 -5.041 1.00 1.89 C ATOM 801 NH1 ARG A 85 -16.553 -22.964 -4.180 1.00 1.65 N ATOM 802 NH2 ARG A 85 -15.524 -23.997 -5.951 1.00 2.78 N ATOM 0 H ARG A 85 -11.349 -19.264 -5.560 1.00 0.91 H new ATOM 0 HA ARG A 85 -13.357 -17.817 -7.158 1.00 0.92 H new ATOM 0 HB2 ARG A 85 -14.948 -19.006 -5.721 1.00 1.03 H new ATOM 0 HB3 ARG A 85 -13.866 -20.111 -6.545 1.00 1.03 H new ATOM 0 HG2 ARG A 85 -12.524 -20.382 -4.507 1.00 1.44 H new ATOM 0 HG3 ARG A 85 -13.498 -19.187 -3.672 1.00 1.44 H new ATOM 0 HD2 ARG A 85 -14.216 -21.447 -3.049 1.00 1.51 H new ATOM 0 HD3 ARG A 85 -15.501 -20.618 -3.905 1.00 1.51 H new ATOM 0 HE ARG A 85 -13.806 -22.218 -5.672 1.00 1.72 H new ATOM 0 HH11 ARG A 85 -16.575 -22.224 -3.479 1.00 1.65 H new ATOM 0 HH12 ARG A 85 -17.306 -23.651 -4.219 1.00 1.65 H new ATOM 0 HH21 ARG A 85 -14.752 -24.054 -6.616 1.00 2.78 H new ATOM 0 HH22 ARG A 85 -16.279 -24.682 -5.987 1.00 2.78 H new ATOM 816 N ASN A 86 -11.988 -16.461 -4.837 1.00 0.63 N ATOM 817 CA ASN A 86 -11.897 -15.379 -3.866 1.00 0.62 C ATOM 818 C ASN A 86 -11.118 -14.197 -4.440 1.00 0.53 C ATOM 819 O ASN A 86 -11.366 -13.046 -4.083 1.00 0.53 O ATOM 820 CB ASN A 86 -11.181 -15.880 -2.611 1.00 0.78 C ATOM 821 CG ASN A 86 -9.687 -15.992 -2.828 1.00 1.65 C ATOM 822 OD1 ASN A 86 -9.297 -16.472 -4.006 1.00 2.49 O flip ATOM 823 ND2 ASN A 86 -8.892 -15.667 -1.948 1.00 1.68 N flip ATOM 0 H ASN A 86 -11.090 -16.731 -5.239 1.00 0.63 H new ATOM 0 HA ASN A 86 -12.907 -15.052 -3.621 1.00 0.62 H new ATOM 0 HB2 ASN A 86 -11.379 -15.200 -1.783 1.00 0.78 H new ATOM 0 HB3 ASN A 86 -11.582 -16.853 -2.327 1.00 0.78 H new ATOM 0 HD21 ASN A 86 -9.236 -15.303 -1.059 1.00 1.68 H new ATOM 0 HD22 ASN A 86 -7.889 -15.761 -2.107 1.00 1.68 H new ATOM 830 N LYS A 87 -10.166 -14.501 -5.323 1.00 0.53 N ATOM 831 CA LYS A 87 -9.324 -13.492 -5.943 1.00 0.56 C ATOM 832 C LYS A 87 -10.120 -12.266 -6.358 1.00 0.45 C ATOM 833 O LYS A 87 -9.788 -11.154 -5.978 1.00 0.40 O ATOM 834 CB LYS A 87 -8.624 -14.092 -7.156 1.00 0.71 C ATOM 835 CG LYS A 87 -7.272 -13.482 -7.451 1.00 1.06 C ATOM 836 CD LYS A 87 -6.306 -14.554 -7.909 1.00 1.59 C ATOM 837 CE LYS A 87 -4.866 -14.157 -7.639 1.00 1.84 C ATOM 838 NZ LYS A 87 -4.495 -12.898 -8.344 1.00 2.28 N ATOM 0 H LYS A 87 -9.962 -15.454 -5.624 1.00 0.53 H new ATOM 0 HA LYS A 87 -8.587 -13.170 -5.207 1.00 0.56 H new ATOM 0 HB2 LYS A 87 -8.501 -15.163 -6.998 1.00 0.71 H new ATOM 0 HB3 LYS A 87 -9.265 -13.970 -8.029 1.00 0.71 H new ATOM 0 HG2 LYS A 87 -7.370 -12.717 -8.221 1.00 1.06 H new ATOM 0 HG3 LYS A 87 -6.884 -12.989 -6.559 1.00 1.06 H new ATOM 0 HD2 LYS A 87 -6.529 -15.489 -7.396 1.00 1.59 H new ATOM 0 HD3 LYS A 87 -6.441 -14.735 -8.975 1.00 1.59 H new ATOM 0 HE2 LYS A 87 -4.720 -14.029 -6.566 1.00 1.84 H new ATOM 0 HE3 LYS A 87 -4.202 -14.961 -7.958 1.00 1.84 H new ATOM 0 HZ1 LYS A 87 -3.479 -12.716 -8.217 1.00 2.28 H new ATOM 0 HZ2 LYS A 87 -4.706 -12.993 -9.358 1.00 2.28 H new ATOM 0 HZ3 LYS A 87 -5.041 -12.105 -7.950 1.00 2.28 H new ATOM 852 N PHE A 88 -11.191 -12.482 -7.104 1.00 0.43 N ATOM 853 CA PHE A 88 -12.010 -11.372 -7.575 1.00 0.38 C ATOM 854 C PHE A 88 -12.475 -10.507 -6.407 1.00 0.31 C ATOM 855 O PHE A 88 -12.404 -9.283 -6.474 1.00 0.29 O ATOM 856 CB PHE A 88 -13.214 -11.886 -8.366 1.00 0.41 C ATOM 857 CG PHE A 88 -12.857 -12.416 -9.726 1.00 1.01 C ATOM 858 CD1 PHE A 88 -12.760 -11.564 -10.815 1.00 1.44 C ATOM 859 CD2 PHE A 88 -12.614 -13.767 -9.914 1.00 1.34 C ATOM 860 CE1 PHE A 88 -12.428 -12.050 -12.066 1.00 2.19 C ATOM 861 CE2 PHE A 88 -12.283 -14.259 -11.162 1.00 2.07 C ATOM 862 CZ PHE A 88 -12.202 -13.391 -12.246 1.00 2.49 C ATOM 0 H PHE A 88 -11.513 -13.405 -7.395 1.00 0.43 H new ATOM 0 HA PHE A 88 -11.397 -10.758 -8.236 1.00 0.38 H new ATOM 0 HB2 PHE A 88 -13.704 -12.675 -7.795 1.00 0.41 H new ATOM 0 HB3 PHE A 88 -13.937 -11.078 -8.478 1.00 0.41 H new ATOM 0 HD1 PHE A 88 -12.946 -10.508 -10.685 1.00 1.44 H new ATOM 0 HD2 PHE A 88 -12.684 -14.444 -9.075 1.00 1.34 H new ATOM 0 HE1 PHE A 88 -12.346 -11.373 -12.903 1.00 2.19 H new ATOM 0 HE2 PHE A 88 -12.088 -15.313 -11.295 1.00 2.07 H new ATOM 0 HZ PHE A 88 -11.962 -13.772 -13.227 1.00 2.49 H new ATOM 872 N ALA A 89 -12.954 -11.143 -5.346 1.00 0.31 N ATOM 873 CA ALA A 89 -13.412 -10.423 -4.161 1.00 0.29 C ATOM 874 C ALA A 89 -12.372 -9.410 -3.667 1.00 0.26 C ATOM 875 O ALA A 89 -12.559 -8.197 -3.793 1.00 0.27 O ATOM 876 CB ALA A 89 -13.755 -11.414 -3.056 1.00 0.35 C ATOM 0 H ALA A 89 -13.036 -12.158 -5.280 1.00 0.31 H new ATOM 0 HA ALA A 89 -14.304 -9.861 -4.436 1.00 0.29 H new ATOM 0 HB1 ALA A 89 -14.096 -10.872 -2.174 1.00 0.35 H new ATOM 0 HB2 ALA A 89 -14.545 -12.082 -3.399 1.00 0.35 H new ATOM 0 HB3 ALA A 89 -12.870 -11.998 -2.803 1.00 0.35 H new ATOM 882 N PHE A 90 -11.276 -9.913 -3.108 1.00 0.24 N ATOM 883 CA PHE A 90 -10.210 -9.060 -2.583 1.00 0.24 C ATOM 884 C PHE A 90 -9.576 -8.185 -3.664 1.00 0.21 C ATOM 885 O PHE A 90 -9.383 -6.988 -3.458 1.00 0.22 O ATOM 886 CB PHE A 90 -9.130 -9.926 -1.931 1.00 0.26 C ATOM 887 CG PHE A 90 -8.040 -9.128 -1.273 1.00 0.23 C ATOM 888 CD1 PHE A 90 -8.190 -8.658 0.023 1.00 0.28 C ATOM 889 CD2 PHE A 90 -6.870 -8.843 -1.954 1.00 0.27 C ATOM 890 CE1 PHE A 90 -7.189 -7.917 0.625 1.00 0.27 C ATOM 891 CE2 PHE A 90 -5.868 -8.105 -1.358 1.00 0.28 C ATOM 892 CZ PHE A 90 -6.027 -7.641 -0.068 1.00 0.23 C ATOM 0 H PHE A 90 -11.100 -10.913 -3.006 1.00 0.24 H new ATOM 0 HA PHE A 90 -10.661 -8.396 -1.846 1.00 0.24 H new ATOM 0 HB2 PHE A 90 -9.594 -10.574 -1.188 1.00 0.26 H new ATOM 0 HB3 PHE A 90 -8.689 -10.574 -2.688 1.00 0.26 H new ATOM 0 HD1 PHE A 90 -9.097 -8.873 0.568 1.00 0.28 H new ATOM 0 HD2 PHE A 90 -6.739 -9.202 -2.964 1.00 0.27 H new ATOM 0 HE1 PHE A 90 -7.316 -7.555 1.635 1.00 0.27 H new ATOM 0 HE2 PHE A 90 -4.959 -7.890 -1.901 1.00 0.28 H new ATOM 0 HZ PHE A 90 -5.243 -7.063 0.399 1.00 0.23 H new ATOM 902 N ARG A 91 -9.264 -8.779 -4.812 1.00 0.19 N ATOM 903 CA ARG A 91 -8.614 -8.047 -5.903 1.00 0.21 C ATOM 904 C ARG A 91 -9.435 -6.827 -6.317 1.00 0.20 C ATOM 905 O ARG A 91 -8.939 -5.702 -6.291 1.00 0.19 O ATOM 906 CB ARG A 91 -8.394 -8.958 -7.119 1.00 0.25 C ATOM 907 CG ARG A 91 -7.044 -8.788 -7.797 1.00 0.34 C ATOM 908 CD ARG A 91 -6.756 -7.334 -8.090 1.00 1.15 C ATOM 909 NE ARG A 91 -7.535 -6.836 -9.221 1.00 1.75 N ATOM 910 CZ ARG A 91 -7.061 -5.989 -10.129 1.00 2.52 C ATOM 911 NH1 ARG A 91 -5.809 -5.555 -10.049 1.00 2.91 N ATOM 912 NH2 ARG A 91 -7.837 -5.579 -11.122 1.00 3.34 N ATOM 0 H ARG A 91 -9.448 -9.762 -5.014 1.00 0.19 H new ATOM 0 HA ARG A 91 -7.646 -7.707 -5.535 1.00 0.21 H new ATOM 0 HB2 ARG A 91 -8.500 -9.996 -6.804 1.00 0.25 H new ATOM 0 HB3 ARG A 91 -9.180 -8.765 -7.849 1.00 0.25 H new ATOM 0 HG2 ARG A 91 -6.260 -9.195 -7.158 1.00 0.34 H new ATOM 0 HG3 ARG A 91 -7.027 -9.359 -8.726 1.00 0.34 H new ATOM 0 HD2 ARG A 91 -6.978 -6.736 -7.206 1.00 1.15 H new ATOM 0 HD3 ARG A 91 -5.694 -7.211 -8.300 1.00 1.15 H new ATOM 0 HE ARG A 91 -8.498 -7.157 -9.320 1.00 1.75 H new ATOM 0 HH11 ARG A 91 -5.207 -5.872 -9.289 1.00 2.91 H new ATOM 0 HH12 ARG A 91 -5.449 -4.905 -10.748 1.00 2.91 H new ATOM 0 HH21 ARG A 91 -8.798 -5.913 -11.190 1.00 3.34 H new ATOM 0 HH22 ARG A 91 -7.473 -4.929 -11.819 1.00 3.34 H new ATOM 926 N GLU A 92 -10.684 -7.061 -6.714 1.00 0.25 N ATOM 927 CA GLU A 92 -11.563 -5.967 -7.127 1.00 0.27 C ATOM 928 C GLU A 92 -11.559 -4.863 -6.074 1.00 0.26 C ATOM 929 O GLU A 92 -11.599 -3.680 -6.409 1.00 0.25 O ATOM 930 CB GLU A 92 -12.993 -6.459 -7.388 1.00 0.32 C ATOM 931 CG GLU A 92 -13.813 -6.697 -6.130 1.00 1.17 C ATOM 932 CD GLU A 92 -15.249 -7.079 -6.435 1.00 1.97 C ATOM 933 OE1 GLU A 92 -15.497 -8.267 -6.731 1.00 2.58 O ATOM 934 OE2 GLU A 92 -16.125 -6.191 -6.377 1.00 2.25 O ATOM 0 H GLU A 92 -11.108 -7.988 -6.759 1.00 0.25 H new ATOM 0 HA GLU A 92 -11.179 -5.564 -8.064 1.00 0.27 H new ATOM 0 HB2 GLU A 92 -13.508 -5.727 -8.010 1.00 0.32 H new ATOM 0 HB3 GLU A 92 -12.947 -7.387 -7.958 1.00 0.32 H new ATOM 0 HG2 GLU A 92 -13.348 -7.487 -5.541 1.00 1.17 H new ATOM 0 HG3 GLU A 92 -13.803 -5.795 -5.518 1.00 1.17 H new ATOM 941 N ALA A 93 -11.511 -5.252 -4.799 1.00 0.26 N ATOM 942 CA ALA A 93 -11.469 -4.277 -3.716 1.00 0.26 C ATOM 943 C ALA A 93 -10.228 -3.402 -3.864 1.00 0.23 C ATOM 944 O ALA A 93 -10.275 -2.182 -3.676 1.00 0.22 O ATOM 945 CB ALA A 93 -11.478 -4.975 -2.362 1.00 0.29 C ATOM 0 H ALA A 93 -11.500 -6.226 -4.496 1.00 0.26 H new ATOM 0 HA ALA A 93 -12.356 -3.646 -3.772 1.00 0.26 H new ATOM 0 HB1 ALA A 93 -11.446 -4.229 -1.568 1.00 0.29 H new ATOM 0 HB2 ALA A 93 -12.386 -5.570 -2.265 1.00 0.29 H new ATOM 0 HB3 ALA A 93 -10.608 -5.627 -2.283 1.00 0.29 H new ATOM 951 N ILE A 94 -9.115 -4.043 -4.211 1.00 0.21 N ATOM 952 CA ILE A 94 -7.862 -3.332 -4.419 1.00 0.20 C ATOM 953 C ILE A 94 -8.022 -2.360 -5.571 1.00 0.19 C ATOM 954 O ILE A 94 -7.570 -1.217 -5.513 1.00 0.20 O ATOM 955 CB ILE A 94 -6.710 -4.285 -4.765 1.00 0.20 C ATOM 956 CG1 ILE A 94 -6.707 -5.503 -3.852 1.00 0.23 C ATOM 957 CG2 ILE A 94 -5.389 -3.554 -4.670 1.00 0.22 C ATOM 958 CD1 ILE A 94 -5.683 -6.536 -4.259 1.00 0.24 C ATOM 0 H ILE A 94 -9.058 -5.051 -4.353 1.00 0.21 H new ATOM 0 HA ILE A 94 -7.624 -2.815 -3.489 1.00 0.20 H new ATOM 0 HB ILE A 94 -6.853 -4.635 -5.787 1.00 0.20 H new ATOM 0 HG12 ILE A 94 -6.508 -5.184 -2.829 1.00 0.23 H new ATOM 0 HG13 ILE A 94 -7.697 -5.958 -3.857 1.00 0.23 H new ATOM 0 HG21 ILE A 94 -4.576 -4.237 -4.917 1.00 0.22 H new ATOM 0 HG22 ILE A 94 -5.385 -2.718 -5.369 1.00 0.22 H new ATOM 0 HG23 ILE A 94 -5.252 -3.180 -3.655 1.00 0.22 H new ATOM 0 HD11 ILE A 94 -5.726 -7.382 -3.573 1.00 0.24 H new ATOM 0 HD12 ILE A 94 -5.895 -6.879 -5.272 1.00 0.24 H new ATOM 0 HD13 ILE A 94 -4.687 -6.094 -4.227 1.00 0.24 H new ATOM 970 N ASN A 95 -8.675 -2.843 -6.623 1.00 0.20 N ATOM 971 CA ASN A 95 -8.931 -2.045 -7.806 1.00 0.21 C ATOM 972 C ASN A 95 -9.668 -0.771 -7.407 1.00 0.21 C ATOM 973 O ASN A 95 -9.411 0.304 -7.949 1.00 0.25 O ATOM 974 CB ASN A 95 -9.755 -2.867 -8.804 1.00 0.23 C ATOM 975 CG ASN A 95 -10.895 -2.080 -9.409 1.00 0.26 C ATOM 976 OD1 ASN A 95 -11.913 -1.841 -8.601 1.00 0.33 O flip ATOM 977 ND2 ASN A 95 -10.852 -1.682 -10.573 1.00 0.24 N flip ATOM 0 H ASN A 95 -9.038 -3.795 -6.675 1.00 0.20 H new ATOM 0 HA ASN A 95 -7.991 -1.765 -8.281 1.00 0.21 H new ATOM 0 HB2 ASN A 95 -9.102 -3.224 -9.601 1.00 0.23 H new ATOM 0 HB3 ASN A 95 -10.154 -3.748 -8.301 1.00 0.23 H new ATOM 0 HD21 ASN A 95 -10.042 -1.894 -11.155 1.00 0.24 H new ATOM 0 HD22 ASN A 95 -11.627 -1.140 -10.956 1.00 0.24 H new ATOM 984 N LYS A 96 -10.594 -0.905 -6.455 1.00 0.20 N ATOM 985 CA LYS A 96 -11.347 0.238 -5.965 1.00 0.20 C ATOM 986 C LYS A 96 -10.395 1.299 -5.438 1.00 0.19 C ATOM 987 O LYS A 96 -10.535 2.480 -5.758 1.00 0.20 O ATOM 988 CB LYS A 96 -12.325 -0.185 -4.867 1.00 0.24 C ATOM 989 CG LYS A 96 -13.742 -0.397 -5.370 1.00 0.34 C ATOM 990 CD LYS A 96 -13.906 -1.755 -6.026 1.00 0.76 C ATOM 991 CE LYS A 96 -15.218 -1.847 -6.785 1.00 0.75 C ATOM 992 NZ LYS A 96 -16.394 -1.672 -5.890 1.00 1.64 N ATOM 0 H LYS A 96 -10.835 -1.792 -6.013 1.00 0.20 H new ATOM 0 HA LYS A 96 -11.922 0.653 -6.793 1.00 0.20 H new ATOM 0 HB2 LYS A 96 -11.968 -1.107 -4.409 1.00 0.24 H new ATOM 0 HB3 LYS A 96 -12.335 0.576 -4.086 1.00 0.24 H new ATOM 0 HG2 LYS A 96 -14.441 -0.308 -4.538 1.00 0.34 H new ATOM 0 HG3 LYS A 96 -13.996 0.386 -6.085 1.00 0.34 H new ATOM 0 HD2 LYS A 96 -13.075 -1.934 -6.709 1.00 0.76 H new ATOM 0 HD3 LYS A 96 -13.868 -2.535 -5.266 1.00 0.76 H new ATOM 0 HE2 LYS A 96 -15.240 -1.086 -7.565 1.00 0.75 H new ATOM 0 HE3 LYS A 96 -15.282 -2.815 -7.282 1.00 0.75 H new ATOM 0 HZ1 LYS A 96 -17.267 -1.859 -6.423 1.00 1.64 H new ATOM 0 HZ2 LYS A 96 -16.326 -2.337 -5.093 1.00 1.64 H new ATOM 0 HZ3 LYS A 96 -16.412 -0.698 -5.527 1.00 1.64 H new ATOM 1006 N LEU A 97 -9.423 0.876 -4.628 1.00 0.21 N ATOM 1007 CA LEU A 97 -8.443 1.811 -4.088 1.00 0.22 C ATOM 1008 C LEU A 97 -7.699 2.503 -5.221 1.00 0.21 C ATOM 1009 O LEU A 97 -7.377 3.683 -5.136 1.00 0.25 O ATOM 1010 CB LEU A 97 -7.431 1.115 -3.179 1.00 0.25 C ATOM 1011 CG LEU A 97 -6.329 2.037 -2.648 1.00 0.38 C ATOM 1012 CD1 LEU A 97 -6.892 2.988 -1.611 1.00 0.52 C ATOM 1013 CD2 LEU A 97 -5.176 1.241 -2.063 1.00 0.62 C ATOM 0 H LEU A 97 -9.296 -0.093 -4.337 1.00 0.21 H new ATOM 0 HA LEU A 97 -8.990 2.544 -3.495 1.00 0.22 H new ATOM 0 HB2 LEU A 97 -7.960 0.675 -2.334 1.00 0.25 H new ATOM 0 HB3 LEU A 97 -6.970 0.294 -3.728 1.00 0.25 H new ATOM 0 HG LEU A 97 -5.944 2.616 -3.487 1.00 0.38 H new ATOM 0 HD11 LEU A 97 -6.097 3.637 -1.243 1.00 0.52 H new ATOM 0 HD12 LEU A 97 -7.677 3.595 -2.062 1.00 0.52 H new ATOM 0 HD13 LEU A 97 -7.308 2.417 -0.781 1.00 0.52 H new ATOM 0 HD21 LEU A 97 -4.411 1.925 -1.695 1.00 0.62 H new ATOM 0 HD22 LEU A 97 -5.539 0.626 -1.240 1.00 0.62 H new ATOM 0 HD23 LEU A 97 -4.749 0.600 -2.834 1.00 0.62 H new ATOM 1025 N GLU A 98 -7.449 1.758 -6.289 1.00 0.18 N ATOM 1026 CA GLU A 98 -6.741 2.288 -7.446 1.00 0.19 C ATOM 1027 C GLU A 98 -7.472 3.510 -7.996 1.00 0.17 C ATOM 1028 O GLU A 98 -6.914 4.605 -8.060 1.00 0.20 O ATOM 1029 CB GLU A 98 -6.632 1.207 -8.522 1.00 0.21 C ATOM 1030 CG GLU A 98 -5.522 1.447 -9.529 1.00 0.27 C ATOM 1031 CD GLU A 98 -5.820 2.601 -10.468 1.00 0.88 C ATOM 1032 OE1 GLU A 98 -6.492 2.372 -11.494 1.00 1.87 O ATOM 1033 OE2 GLU A 98 -5.379 3.732 -10.176 1.00 0.96 O ATOM 0 H GLU A 98 -7.727 0.781 -6.378 1.00 0.18 H new ATOM 0 HA GLU A 98 -5.739 2.591 -7.144 1.00 0.19 H new ATOM 0 HB2 GLU A 98 -6.468 0.244 -8.039 1.00 0.21 H new ATOM 0 HB3 GLU A 98 -7.582 1.140 -9.053 1.00 0.21 H new ATOM 0 HG2 GLU A 98 -4.592 1.648 -8.997 1.00 0.27 H new ATOM 0 HG3 GLU A 98 -5.365 0.540 -10.113 1.00 0.27 H new ATOM 1040 N ASN A 99 -8.728 3.309 -8.382 1.00 0.16 N ATOM 1041 CA ASN A 99 -9.556 4.386 -8.920 1.00 0.17 C ATOM 1042 C ASN A 99 -9.949 5.374 -7.825 1.00 0.21 C ATOM 1043 O ASN A 99 -10.470 6.455 -8.112 1.00 0.44 O ATOM 1044 CB ASN A 99 -10.812 3.815 -9.582 1.00 0.22 C ATOM 1045 CG ASN A 99 -10.489 2.848 -10.704 1.00 1.00 C ATOM 1046 OD1 ASN A 99 -10.339 3.248 -11.860 1.00 2.12 O ATOM 1047 ND2 ASN A 99 -10.383 1.567 -10.371 1.00 0.62 N ATOM 0 H ASN A 99 -9.198 2.405 -8.332 1.00 0.16 H new ATOM 0 HA ASN A 99 -8.969 4.917 -9.669 1.00 0.17 H new ATOM 0 HB2 ASN A 99 -11.415 3.306 -8.830 1.00 0.22 H new ATOM 0 HB3 ASN A 99 -11.416 4.633 -9.975 1.00 0.22 H new ATOM 0 HD21 ASN A 99 -10.170 0.870 -11.085 1.00 0.62 H new ATOM 0 HD22 ASN A 99 -10.515 1.280 -9.401 1.00 0.62 H new ATOM 1054 N ASN A 100 -9.678 5.015 -6.570 1.00 0.17 N ATOM 1055 CA ASN A 100 -10.009 5.882 -5.448 1.00 0.16 C ATOM 1056 C ASN A 100 -8.948 6.960 -5.341 1.00 0.16 C ATOM 1057 O ASN A 100 -9.253 8.147 -5.219 1.00 0.21 O ATOM 1058 CB ASN A 100 -10.088 5.077 -4.148 1.00 0.19 C ATOM 1059 CG ASN A 100 -9.511 5.820 -2.960 1.00 0.18 C ATOM 1060 OD1 ASN A 100 -8.214 5.651 -2.734 1.00 0.26 O flip ATOM 1061 ND2 ASN A 100 -10.222 6.537 -2.254 1.00 0.21 N flip ATOM 0 H ASN A 100 -9.233 4.135 -6.310 1.00 0.17 H new ATOM 0 HA ASN A 100 -10.984 6.339 -5.614 1.00 0.16 H new ATOM 0 HB2 ASN A 100 -11.129 4.827 -3.944 1.00 0.19 H new ATOM 0 HB3 ASN A 100 -9.554 4.136 -4.276 1.00 0.19 H new ATOM 0 HD21 ASN A 100 -11.215 6.637 -2.466 1.00 0.21 H new ATOM 0 HD22 ASN A 100 -9.818 7.030 -1.458 1.00 0.21 H new ATOM 1068 N LEU A 101 -7.695 6.525 -5.392 1.00 0.19 N ATOM 1069 CA LEU A 101 -6.569 7.436 -5.343 1.00 0.25 C ATOM 1070 C LEU A 101 -6.608 8.315 -6.585 1.00 0.23 C ATOM 1071 O LEU A 101 -6.237 9.488 -6.553 1.00 0.25 O ATOM 1072 CB LEU A 101 -5.255 6.652 -5.285 1.00 0.32 C ATOM 1073 CG LEU A 101 -5.229 5.503 -4.274 1.00 0.42 C ATOM 1074 CD1 LEU A 101 -4.180 4.474 -4.661 1.00 0.32 C ATOM 1075 CD2 LEU A 101 -4.969 6.021 -2.871 1.00 0.58 C ATOM 0 H LEU A 101 -7.437 5.541 -5.468 1.00 0.19 H new ATOM 0 HA LEU A 101 -6.630 8.056 -4.449 1.00 0.25 H new ATOM 0 HB2 LEU A 101 -5.047 6.248 -6.276 1.00 0.32 H new ATOM 0 HB3 LEU A 101 -4.447 7.344 -5.046 1.00 0.32 H new ATOM 0 HG LEU A 101 -6.207 5.023 -4.285 1.00 0.42 H new ATOM 0 HD11 LEU A 101 -4.177 3.665 -3.930 1.00 0.32 H new ATOM 0 HD12 LEU A 101 -4.412 4.071 -5.647 1.00 0.32 H new ATOM 0 HD13 LEU A 101 -3.198 4.946 -4.684 1.00 0.32 H new ATOM 0 HD21 LEU A 101 -4.955 5.185 -2.171 1.00 0.58 H new ATOM 0 HD22 LEU A 101 -4.007 6.532 -2.844 1.00 0.58 H new ATOM 0 HD23 LEU A 101 -5.758 6.718 -2.588 1.00 0.58 H new ATOM 1087 N ARG A 102 -7.075 7.718 -7.682 1.00 0.22 N ATOM 1088 CA ARG A 102 -7.200 8.414 -8.957 1.00 0.23 C ATOM 1089 C ARG A 102 -8.037 9.680 -8.806 1.00 0.24 C ATOM 1090 O ARG A 102 -7.586 10.772 -9.150 1.00 0.34 O ATOM 1091 CB ARG A 102 -7.843 7.493 -9.998 1.00 0.25 C ATOM 1092 CG ARG A 102 -6.885 6.480 -10.601 1.00 0.29 C ATOM 1093 CD ARG A 102 -7.509 5.766 -11.790 1.00 0.38 C ATOM 1094 NE ARG A 102 -6.549 4.909 -12.483 1.00 0.97 N ATOM 1095 CZ ARG A 102 -6.752 4.407 -13.697 1.00 1.26 C ATOM 1096 NH1 ARG A 102 -7.873 4.681 -14.353 1.00 1.25 N ATOM 1097 NH2 ARG A 102 -5.834 3.633 -14.259 1.00 2.09 N ATOM 0 H ARG A 102 -7.375 6.744 -7.709 1.00 0.22 H new ATOM 0 HA ARG A 102 -6.201 8.695 -9.289 1.00 0.23 H new ATOM 0 HB2 ARG A 102 -8.674 6.961 -9.534 1.00 0.25 H new ATOM 0 HB3 ARG A 102 -8.262 8.103 -10.798 1.00 0.25 H new ATOM 0 HG2 ARG A 102 -5.971 6.984 -10.916 1.00 0.29 H new ATOM 0 HG3 ARG A 102 -6.602 5.749 -9.844 1.00 0.29 H new ATOM 0 HD2 ARG A 102 -8.352 5.164 -11.449 1.00 0.38 H new ATOM 0 HD3 ARG A 102 -7.906 6.504 -12.488 1.00 0.38 H new ATOM 0 HE ARG A 102 -5.675 4.684 -12.009 1.00 0.97 H new ATOM 0 HH11 ARG A 102 -8.581 5.278 -13.926 1.00 1.25 H new ATOM 0 HH12 ARG A 102 -8.026 4.295 -15.284 1.00 1.25 H new ATOM 0 HH21 ARG A 102 -4.970 3.422 -13.760 1.00 2.09 H new ATOM 0 HH22 ARG A 102 -5.992 3.249 -15.191 1.00 2.09 H new ATOM 1111 N GLU A 103 -9.255 9.532 -8.295 1.00 0.24 N ATOM 1112 CA GLU A 103 -10.136 10.676 -8.095 1.00 0.24 C ATOM 1113 C GLU A 103 -9.658 11.518 -6.915 1.00 0.24 C ATOM 1114 O GLU A 103 -10.011 12.691 -6.788 1.00 0.25 O ATOM 1115 CB GLU A 103 -11.572 10.204 -7.855 1.00 0.26 C ATOM 1116 CG GLU A 103 -12.577 11.338 -7.727 1.00 0.34 C ATOM 1117 CD GLU A 103 -12.627 12.214 -8.964 1.00 1.36 C ATOM 1118 OE1 GLU A 103 -13.198 11.771 -9.982 1.00 2.32 O ATOM 1119 OE2 GLU A 103 -12.097 13.344 -8.913 1.00 1.82 O ATOM 0 H GLU A 103 -9.653 8.636 -8.013 1.00 0.24 H new ATOM 0 HA GLU A 103 -10.112 11.291 -8.995 1.00 0.24 H new ATOM 0 HB2 GLU A 103 -11.873 9.555 -8.677 1.00 0.26 H new ATOM 0 HB3 GLU A 103 -11.600 9.602 -6.947 1.00 0.26 H new ATOM 0 HG2 GLU A 103 -13.567 10.922 -7.540 1.00 0.34 H new ATOM 0 HG3 GLU A 103 -12.320 11.950 -6.863 1.00 0.34 H new ATOM 1126 N LEU A 104 -8.848 10.906 -6.060 1.00 0.24 N ATOM 1127 CA LEU A 104 -8.310 11.575 -4.884 1.00 0.25 C ATOM 1128 C LEU A 104 -7.178 12.528 -5.258 1.00 0.29 C ATOM 1129 O LEU A 104 -6.807 13.400 -4.472 1.00 0.31 O ATOM 1130 CB LEU A 104 -7.804 10.523 -3.902 1.00 0.24 C ATOM 1131 CG LEU A 104 -7.227 11.051 -2.600 1.00 0.24 C ATOM 1132 CD1 LEU A 104 -8.316 11.694 -1.778 1.00 0.29 C ATOM 1133 CD2 LEU A 104 -6.568 9.921 -1.833 1.00 0.24 C ATOM 0 H LEU A 104 -8.547 9.937 -6.162 1.00 0.24 H new ATOM 0 HA LEU A 104 -9.102 12.166 -4.424 1.00 0.25 H new ATOM 0 HB2 LEU A 104 -8.628 9.850 -3.665 1.00 0.24 H new ATOM 0 HB3 LEU A 104 -7.039 9.927 -4.400 1.00 0.24 H new ATOM 0 HG LEU A 104 -6.472 11.806 -2.819 1.00 0.24 H new ATOM 0 HD11 LEU A 104 -7.894 12.070 -0.846 1.00 0.29 H new ATOM 0 HD12 LEU A 104 -8.754 12.520 -2.338 1.00 0.29 H new ATOM 0 HD13 LEU A 104 -9.087 10.957 -1.556 1.00 0.29 H new ATOM 0 HD21 LEU A 104 -6.156 10.306 -0.900 1.00 0.24 H new ATOM 0 HD22 LEU A 104 -7.307 9.151 -1.613 1.00 0.24 H new ATOM 0 HD23 LEU A 104 -5.766 9.492 -2.434 1.00 0.24 H new ATOM 1145 N GLN A 105 -6.632 12.355 -6.460 1.00 0.40 N ATOM 1146 CA GLN A 105 -5.536 13.200 -6.935 1.00 0.51 C ATOM 1147 C GLN A 105 -5.881 14.677 -6.802 1.00 0.45 C ATOM 1148 O GLN A 105 -7.035 15.037 -6.568 1.00 1.00 O ATOM 1149 CB GLN A 105 -5.192 12.878 -8.391 1.00 0.86 C ATOM 1150 CG GLN A 105 -3.712 12.602 -8.620 1.00 0.44 C ATOM 1151 CD GLN A 105 -3.314 11.191 -8.246 1.00 1.31 C ATOM 1152 OE1 GLN A 105 -3.983 10.636 -7.249 1.00 2.04 O flip ATOM 1153 NE2 GLN A 105 -2.407 10.610 -8.842 1.00 1.38 N flip ATOM 0 H GLN A 105 -6.929 11.639 -7.123 1.00 0.40 H new ATOM 0 HA GLN A 105 -4.667 12.989 -6.311 1.00 0.51 H new ATOM 0 HB2 GLN A 105 -5.769 12.009 -8.708 1.00 0.86 H new ATOM 0 HB3 GLN A 105 -5.499 13.712 -9.021 1.00 0.86 H new ATOM 0 HG2 GLN A 105 -3.473 12.776 -9.669 1.00 0.44 H new ATOM 0 HG3 GLN A 105 -3.121 13.308 -8.037 1.00 0.44 H new ATOM 0 HE21 GLN A 105 -1.918 11.077 -9.606 1.00 1.38 H new ATOM 0 HE22 GLN A 105 -2.145 9.662 -8.572 1.00 1.38 H new ATOM 1342 N PHE A 121 -12.133 12.559 2.662 1.00 0.45 N ATOM 1343 CA PHE A 121 -11.839 11.258 2.081 1.00 0.36 C ATOM 1344 C PHE A 121 -12.271 10.114 2.992 1.00 0.31 C ATOM 1345 O PHE A 121 -11.542 9.134 3.152 1.00 0.33 O ATOM 1346 CB PHE A 121 -10.341 11.133 1.776 1.00 0.47 C ATOM 1347 CG PHE A 121 -9.690 12.398 1.273 1.00 0.37 C ATOM 1348 CD1 PHE A 121 -10.402 13.332 0.531 1.00 0.46 C ATOM 1349 CD2 PHE A 121 -8.354 12.648 1.544 1.00 0.27 C ATOM 1350 CE1 PHE A 121 -9.792 14.484 0.072 1.00 0.41 C ATOM 1351 CE2 PHE A 121 -7.740 13.799 1.086 1.00 0.26 C ATOM 1352 CZ PHE A 121 -8.461 14.717 0.350 1.00 0.31 C ATOM 0 HA PHE A 121 -12.409 11.185 1.155 1.00 0.36 H new ATOM 0 HB2 PHE A 121 -9.826 10.811 2.681 1.00 0.47 H new ATOM 0 HB3 PHE A 121 -10.200 10.348 1.033 1.00 0.47 H new ATOM 0 HD1 PHE A 121 -11.444 13.156 0.310 1.00 0.46 H new ATOM 0 HD2 PHE A 121 -7.785 11.934 2.121 1.00 0.27 H new ATOM 0 HE1 PHE A 121 -10.357 15.202 -0.504 1.00 0.41 H new ATOM 0 HE2 PHE A 121 -6.698 13.979 1.304 1.00 0.26 H new ATOM 0 HZ PHE A 121 -7.984 15.617 -0.008 1.00 0.31 H new ATOM 1362 N SER A 122 -13.453 10.231 3.590 1.00 0.32 N ATOM 1363 CA SER A 122 -13.953 9.176 4.460 1.00 0.34 C ATOM 1364 C SER A 122 -14.312 7.946 3.635 1.00 0.29 C ATOM 1365 O SER A 122 -14.465 6.851 4.175 1.00 0.32 O ATOM 1366 CB SER A 122 -15.156 9.643 5.277 1.00 0.42 C ATOM 1367 OG SER A 122 -16.226 10.041 4.442 1.00 1.26 O ATOM 0 H SER A 122 -14.074 11.034 3.489 1.00 0.32 H new ATOM 0 HA SER A 122 -13.162 8.916 5.163 1.00 0.34 H new ATOM 0 HB2 SER A 122 -15.486 8.838 5.934 1.00 0.42 H new ATOM 0 HB3 SER A 122 -14.862 10.476 5.916 1.00 0.42 H new ATOM 0 HG SER A 122 -16.981 10.333 4.994 1.00 1.26 H new ATOM 1373 N LYS A 123 -14.459 8.132 2.321 1.00 0.27 N ATOM 1374 CA LYS A 123 -14.759 7.019 1.435 1.00 0.29 C ATOM 1375 C LYS A 123 -13.560 6.093 1.397 1.00 0.24 C ATOM 1376 O LYS A 123 -13.688 4.877 1.533 1.00 0.27 O ATOM 1377 CB LYS A 123 -15.082 7.517 0.029 1.00 0.37 C ATOM 1378 CG LYS A 123 -16.433 8.190 -0.088 1.00 0.42 C ATOM 1379 CD LYS A 123 -16.352 9.658 0.257 1.00 0.91 C ATOM 1380 CE LYS A 123 -16.870 9.897 1.651 1.00 1.81 C ATOM 1381 NZ LYS A 123 -18.349 10.066 1.680 1.00 2.58 N ATOM 0 H LYS A 123 -14.375 9.036 1.856 1.00 0.27 H new ATOM 0 HA LYS A 123 -15.632 6.485 1.809 1.00 0.29 H new ATOM 0 HB2 LYS A 123 -14.309 8.219 -0.284 1.00 0.37 H new ATOM 0 HB3 LYS A 123 -15.046 6.674 -0.662 1.00 0.37 H new ATOM 0 HG2 LYS A 123 -16.812 8.074 -1.104 1.00 0.42 H new ATOM 0 HG3 LYS A 123 -17.144 7.698 0.575 1.00 0.42 H new ATOM 0 HD2 LYS A 123 -15.320 10.000 0.182 1.00 0.91 H new ATOM 0 HD3 LYS A 123 -16.933 10.239 -0.459 1.00 0.91 H new ATOM 0 HE2 LYS A 123 -16.589 9.060 2.290 1.00 1.81 H new ATOM 0 HE3 LYS A 123 -16.396 10.787 2.065 1.00 1.81 H new ATOM 0 HZ1 LYS A 123 -18.661 10.228 2.659 1.00 2.58 H new ATOM 0 HZ2 LYS A 123 -18.617 10.881 1.092 1.00 2.58 H new ATOM 0 HZ3 LYS A 123 -18.804 9.207 1.309 1.00 2.58 H new ATOM 1395 N LEU A 124 -12.390 6.690 1.199 1.00 0.22 N ATOM 1396 CA LEU A 124 -11.141 5.957 1.184 1.00 0.20 C ATOM 1397 C LEU A 124 -11.015 5.151 2.474 1.00 0.16 C ATOM 1398 O LEU A 124 -10.354 4.114 2.522 1.00 0.16 O ATOM 1399 CB LEU A 124 -9.987 6.960 1.042 1.00 0.25 C ATOM 1400 CG LEU A 124 -8.572 6.382 0.972 1.00 0.24 C ATOM 1401 CD1 LEU A 124 -8.568 5.029 0.300 1.00 0.26 C ATOM 1402 CD2 LEU A 124 -7.661 7.335 0.218 1.00 0.25 C ATOM 0 H LEU A 124 -12.286 7.693 1.045 1.00 0.22 H new ATOM 0 HA LEU A 124 -11.110 5.263 0.344 1.00 0.20 H new ATOM 0 HB2 LEU A 124 -10.158 7.548 0.141 1.00 0.25 H new ATOM 0 HB3 LEU A 124 -10.031 7.649 1.885 1.00 0.25 H new ATOM 0 HG LEU A 124 -8.205 6.257 1.991 1.00 0.24 H new ATOM 0 HD11 LEU A 124 -7.549 4.643 0.265 1.00 0.26 H new ATOM 0 HD12 LEU A 124 -9.197 4.341 0.864 1.00 0.26 H new ATOM 0 HD13 LEU A 124 -8.955 5.125 -0.715 1.00 0.26 H new ATOM 0 HD21 LEU A 124 -6.655 6.917 0.172 1.00 0.25 H new ATOM 0 HD22 LEU A 124 -8.041 7.478 -0.794 1.00 0.25 H new ATOM 0 HD23 LEU A 124 -7.632 8.295 0.734 1.00 0.25 H new ATOM 1414 N LEU A 125 -11.686 5.635 3.515 1.00 0.18 N ATOM 1415 CA LEU A 125 -11.681 4.976 4.812 1.00 0.22 C ATOM 1416 C LEU A 125 -12.482 3.677 4.748 1.00 0.24 C ATOM 1417 O LEU A 125 -12.018 2.624 5.193 1.00 0.26 O ATOM 1418 CB LEU A 125 -12.266 5.913 5.873 1.00 0.28 C ATOM 1419 CG LEU A 125 -11.532 5.919 7.213 1.00 0.32 C ATOM 1420 CD1 LEU A 125 -10.254 6.736 7.108 1.00 1.23 C ATOM 1421 CD2 LEU A 125 -12.431 6.467 8.313 1.00 1.30 C ATOM 0 H LEU A 125 -12.244 6.488 3.482 1.00 0.18 H new ATOM 0 HA LEU A 125 -10.654 4.734 5.084 1.00 0.22 H new ATOM 0 HB2 LEU A 125 -12.271 6.928 5.475 1.00 0.28 H new ATOM 0 HB3 LEU A 125 -13.305 5.634 6.048 1.00 0.28 H new ATOM 0 HG LEU A 125 -11.268 4.893 7.470 1.00 0.32 H new ATOM 0 HD11 LEU A 125 -9.740 6.733 8.069 1.00 1.23 H new ATOM 0 HD12 LEU A 125 -9.605 6.301 6.348 1.00 1.23 H new ATOM 0 HD13 LEU A 125 -10.499 7.761 6.831 1.00 1.23 H new ATOM 0 HD21 LEU A 125 -11.891 6.463 9.260 1.00 1.30 H new ATOM 0 HD22 LEU A 125 -12.726 7.487 8.067 1.00 1.30 H new ATOM 0 HD23 LEU A 125 -13.321 5.843 8.400 1.00 1.30 H new ATOM 1433 N SER A 126 -13.687 3.758 4.186 1.00 0.28 N ATOM 1434 CA SER A 126 -14.552 2.589 4.059 1.00 0.34 C ATOM 1435 C SER A 126 -13.959 1.568 3.088 1.00 0.28 C ATOM 1436 O SER A 126 -14.102 0.360 3.279 1.00 0.29 O ATOM 1437 CB SER A 126 -15.947 3.005 3.587 1.00 0.44 C ATOM 1438 OG SER A 126 -15.894 3.622 2.313 1.00 1.40 O ATOM 0 H SER A 126 -14.085 4.620 3.812 1.00 0.28 H new ATOM 0 HA SER A 126 -14.631 2.125 5.042 1.00 0.34 H new ATOM 0 HB2 SER A 126 -16.595 2.130 3.543 1.00 0.44 H new ATOM 0 HB3 SER A 126 -16.388 3.692 4.309 1.00 0.44 H new ATOM 0 HG SER A 126 -14.987 3.953 2.148 1.00 1.40 H new ATOM 1444 N SER A 127 -13.296 2.065 2.049 1.00 0.25 N ATOM 1445 CA SER A 127 -12.682 1.204 1.043 1.00 0.25 C ATOM 1446 C SER A 127 -11.591 0.330 1.653 1.00 0.21 C ATOM 1447 O SER A 127 -11.495 -0.859 1.350 1.00 0.23 O ATOM 1448 CB SER A 127 -12.091 2.052 -0.086 1.00 0.31 C ATOM 1449 OG SER A 127 -11.606 1.234 -1.138 1.00 1.09 O ATOM 0 H SER A 127 -13.170 3.063 1.881 1.00 0.25 H new ATOM 0 HA SER A 127 -13.459 0.553 0.642 1.00 0.25 H new ATOM 0 HB2 SER A 127 -12.851 2.732 -0.471 1.00 0.31 H new ATOM 0 HB3 SER A 127 -11.280 2.668 0.303 1.00 0.31 H new ATOM 0 HG SER A 127 -11.235 1.799 -1.847 1.00 1.09 H new ATOM 1455 N VAL A 128 -10.779 0.927 2.517 1.00 0.23 N ATOM 1456 CA VAL A 128 -9.689 0.209 3.168 1.00 0.30 C ATOM 1457 C VAL A 128 -10.226 -0.910 4.045 1.00 0.29 C ATOM 1458 O VAL A 128 -9.780 -2.055 3.953 1.00 0.32 O ATOM 1459 CB VAL A 128 -8.831 1.164 4.022 1.00 0.40 C ATOM 1460 CG1 VAL A 128 -7.899 0.386 4.937 1.00 0.51 C ATOM 1461 CG2 VAL A 128 -8.044 2.110 3.129 1.00 0.48 C ATOM 0 H VAL A 128 -10.855 1.909 2.784 1.00 0.23 H new ATOM 0 HA VAL A 128 -9.066 -0.221 2.384 1.00 0.30 H new ATOM 0 HB VAL A 128 -9.498 1.755 4.649 1.00 0.40 H new ATOM 0 HG11 VAL A 128 -7.305 1.083 5.529 1.00 0.51 H new ATOM 0 HG12 VAL A 128 -8.487 -0.246 5.603 1.00 0.51 H new ATOM 0 HG13 VAL A 128 -7.236 -0.237 4.337 1.00 0.51 H new ATOM 0 HG21 VAL A 128 -7.443 2.778 3.746 1.00 0.48 H new ATOM 0 HG22 VAL A 128 -7.390 1.533 2.475 1.00 0.48 H new ATOM 0 HG23 VAL A 128 -8.734 2.698 2.524 1.00 0.48 H new ATOM 1471 N LYS A 129 -11.181 -0.569 4.898 1.00 0.28 N ATOM 1472 CA LYS A 129 -11.792 -1.543 5.787 1.00 0.32 C ATOM 1473 C LYS A 129 -12.305 -2.742 4.996 1.00 0.27 C ATOM 1474 O LYS A 129 -12.220 -3.884 5.448 1.00 0.27 O ATOM 1475 CB LYS A 129 -12.939 -0.897 6.555 1.00 0.38 C ATOM 1476 CG LYS A 129 -12.485 0.113 7.599 1.00 0.50 C ATOM 1477 CD LYS A 129 -13.626 0.541 8.499 1.00 1.12 C ATOM 1478 CE LYS A 129 -14.752 1.199 7.716 1.00 1.77 C ATOM 1479 NZ LYS A 129 -15.906 1.547 8.590 1.00 2.69 N ATOM 0 H LYS A 129 -11.549 0.377 4.992 1.00 0.28 H new ATOM 0 HA LYS A 129 -11.038 -1.890 6.493 1.00 0.32 H new ATOM 0 HB2 LYS A 129 -13.604 -0.401 5.848 1.00 0.38 H new ATOM 0 HB3 LYS A 129 -13.520 -1.677 7.046 1.00 0.38 H new ATOM 0 HG2 LYS A 129 -11.688 -0.321 8.203 1.00 0.50 H new ATOM 0 HG3 LYS A 129 -12.067 0.988 7.101 1.00 0.50 H new ATOM 0 HD2 LYS A 129 -14.014 -0.328 9.031 1.00 1.12 H new ATOM 0 HD3 LYS A 129 -13.253 1.236 9.252 1.00 1.12 H new ATOM 0 HE2 LYS A 129 -14.378 2.101 7.232 1.00 1.77 H new ATOM 0 HE3 LYS A 129 -15.085 0.527 6.925 1.00 1.77 H new ATOM 0 HZ1 LYS A 129 -16.652 1.993 8.019 1.00 2.69 H new ATOM 0 HZ2 LYS A 129 -16.279 0.683 9.033 1.00 2.69 H new ATOM 0 HZ3 LYS A 129 -15.594 2.208 9.330 1.00 2.69 H new ATOM 1493 N GLU A 130 -12.840 -2.465 3.811 1.00 0.23 N ATOM 1494 CA GLU A 130 -13.380 -3.503 2.941 1.00 0.21 C ATOM 1495 C GLU A 130 -12.324 -4.530 2.539 1.00 0.17 C ATOM 1496 O GLU A 130 -12.499 -5.726 2.771 1.00 0.16 O ATOM 1497 CB GLU A 130 -13.985 -2.872 1.683 1.00 0.21 C ATOM 1498 CG GLU A 130 -14.810 -3.843 0.852 1.00 0.35 C ATOM 1499 CD GLU A 130 -15.374 -3.204 -0.402 1.00 1.20 C ATOM 1500 OE1 GLU A 130 -14.627 -3.088 -1.397 1.00 1.71 O ATOM 1501 OE2 GLU A 130 -16.563 -2.820 -0.391 1.00 2.10 O ATOM 0 H GLU A 130 -12.911 -1.522 3.429 1.00 0.23 H new ATOM 0 HA GLU A 130 -14.152 -4.025 3.506 1.00 0.21 H new ATOM 0 HB2 GLU A 130 -14.614 -2.031 1.975 1.00 0.21 H new ATOM 0 HB3 GLU A 130 -13.182 -2.470 1.066 1.00 0.21 H new ATOM 0 HG2 GLU A 130 -14.190 -4.695 0.574 1.00 0.35 H new ATOM 0 HG3 GLU A 130 -15.629 -4.229 1.458 1.00 0.35 H new ATOM 1508 N ILE A 131 -11.230 -4.063 1.940 1.00 0.18 N ATOM 1509 CA ILE A 131 -10.166 -4.965 1.491 1.00 0.16 C ATOM 1510 C ILE A 131 -9.707 -5.882 2.621 1.00 0.17 C ATOM 1511 O ILE A 131 -9.718 -7.109 2.487 1.00 0.16 O ATOM 1512 CB ILE A 131 -8.935 -4.198 0.954 1.00 0.18 C ATOM 1513 CG1 ILE A 131 -9.272 -2.735 0.665 1.00 0.28 C ATOM 1514 CG2 ILE A 131 -8.413 -4.875 -0.304 1.00 0.29 C ATOM 1515 CD1 ILE A 131 -8.050 -1.852 0.551 1.00 0.27 C ATOM 0 H ILE A 131 -11.056 -3.075 1.755 1.00 0.18 H new ATOM 0 HA ILE A 131 -10.595 -5.556 0.681 1.00 0.16 H new ATOM 0 HB ILE A 131 -8.162 -4.216 1.722 1.00 0.18 H new ATOM 0 HG12 ILE A 131 -9.842 -2.677 -0.262 1.00 0.28 H new ATOM 0 HG13 ILE A 131 -9.915 -2.354 1.458 1.00 0.28 H new ATOM 0 HG21 ILE A 131 -7.546 -4.330 -0.677 1.00 0.29 H new ATOM 0 HG22 ILE A 131 -8.125 -5.900 -0.073 1.00 0.29 H new ATOM 0 HG23 ILE A 131 -9.193 -4.880 -1.065 1.00 0.29 H new ATOM 0 HD11 ILE A 131 -8.359 -0.827 0.345 1.00 0.27 H new ATOM 0 HD12 ILE A 131 -7.491 -1.882 1.486 1.00 0.27 H new ATOM 0 HD13 ILE A 131 -7.417 -2.210 -0.261 1.00 0.27 H new ATOM 1527 N SER A 132 -9.300 -5.275 3.731 1.00 0.20 N ATOM 1528 CA SER A 132 -8.852 -6.025 4.895 1.00 0.23 C ATOM 1529 C SER A 132 -9.902 -7.043 5.339 1.00 0.23 C ATOM 1530 O SER A 132 -9.576 -8.195 5.628 1.00 0.26 O ATOM 1531 CB SER A 132 -8.538 -5.064 6.042 1.00 0.27 C ATOM 1532 OG SER A 132 -8.485 -5.745 7.281 1.00 1.02 O ATOM 0 H SER A 132 -9.272 -4.262 3.847 1.00 0.20 H new ATOM 0 HA SER A 132 -7.950 -6.571 4.620 1.00 0.23 H new ATOM 0 HB2 SER A 132 -7.585 -4.570 5.855 1.00 0.27 H new ATOM 0 HB3 SER A 132 -9.298 -4.284 6.085 1.00 0.27 H new ATOM 0 HG SER A 132 -8.143 -6.653 7.141 1.00 1.02 H new ATOM 1538 N ASP A 133 -11.159 -6.612 5.401 1.00 0.23 N ATOM 1539 CA ASP A 133 -12.248 -7.490 5.817 1.00 0.26 C ATOM 1540 C ASP A 133 -12.382 -8.710 4.910 1.00 0.25 C ATOM 1541 O ASP A 133 -12.878 -9.753 5.337 1.00 0.36 O ATOM 1542 CB ASP A 133 -13.566 -6.718 5.833 1.00 0.28 C ATOM 1543 CG ASP A 133 -14.690 -7.505 6.480 1.00 0.33 C ATOM 1544 OD1 ASP A 133 -15.364 -8.273 5.765 1.00 0.37 O ATOM 1545 OD2 ASP A 133 -14.893 -7.352 7.703 1.00 0.37 O ATOM 0 H ASP A 133 -11.448 -5.662 5.169 1.00 0.23 H new ATOM 0 HA ASP A 133 -12.012 -7.845 6.820 1.00 0.26 H new ATOM 0 HB2 ASP A 133 -13.428 -5.779 6.370 1.00 0.28 H new ATOM 0 HB3 ASP A 133 -13.847 -6.462 4.811 1.00 0.28 H new ATOM 1550 N ILE A 134 -11.944 -8.583 3.660 1.00 0.16 N ATOM 1551 CA ILE A 134 -12.045 -9.690 2.711 1.00 0.16 C ATOM 1552 C ILE A 134 -10.999 -10.770 2.977 1.00 0.16 C ATOM 1553 O ILE A 134 -11.340 -11.942 3.118 1.00 0.26 O ATOM 1554 CB ILE A 134 -11.900 -9.214 1.248 1.00 0.17 C ATOM 1555 CG1 ILE A 134 -13.030 -8.251 0.879 1.00 0.17 C ATOM 1556 CG2 ILE A 134 -11.890 -10.408 0.301 1.00 0.22 C ATOM 1557 CD1 ILE A 134 -12.913 -7.678 -0.518 1.00 0.18 C ATOM 0 H ILE A 134 -11.520 -7.735 3.283 1.00 0.16 H new ATOM 0 HA ILE A 134 -13.040 -10.110 2.856 1.00 0.16 H new ATOM 0 HB ILE A 134 -10.952 -8.684 1.151 1.00 0.17 H new ATOM 0 HG12 ILE A 134 -13.983 -8.772 0.969 1.00 0.17 H new ATOM 0 HG13 ILE A 134 -13.046 -7.432 1.598 1.00 0.17 H new ATOM 0 HG21 ILE A 134 -11.787 -10.057 -0.726 1.00 0.22 H new ATOM 0 HG22 ILE A 134 -11.052 -11.060 0.547 1.00 0.22 H new ATOM 0 HG23 ILE A 134 -12.823 -10.962 0.404 1.00 0.22 H new ATOM 0 HD11 ILE A 134 -13.749 -7.005 -0.706 1.00 0.18 H new ATOM 0 HD12 ILE A 134 -11.977 -7.127 -0.608 1.00 0.18 H new ATOM 0 HD13 ILE A 134 -12.929 -8.489 -1.246 1.00 0.18 H new ATOM 1569 N VAL A 135 -9.734 -10.368 3.061 1.00 0.15 N ATOM 1570 CA VAL A 135 -8.640 -11.317 3.286 1.00 0.17 C ATOM 1571 C VAL A 135 -8.796 -12.090 4.591 1.00 0.19 C ATOM 1572 O VAL A 135 -8.463 -13.273 4.657 1.00 0.25 O ATOM 1573 CB VAL A 135 -7.266 -10.607 3.270 1.00 0.17 C ATOM 1574 CG1 VAL A 135 -7.324 -9.285 4.016 1.00 0.18 C ATOM 1575 CG2 VAL A 135 -6.187 -11.496 3.868 1.00 0.23 C ATOM 0 H VAL A 135 -9.438 -9.395 2.977 1.00 0.15 H new ATOM 0 HA VAL A 135 -8.687 -12.030 2.463 1.00 0.17 H new ATOM 0 HB VAL A 135 -7.014 -10.405 2.229 1.00 0.17 H new ATOM 0 HG11 VAL A 135 -6.344 -8.808 3.988 1.00 0.18 H new ATOM 0 HG12 VAL A 135 -8.058 -8.633 3.544 1.00 0.18 H new ATOM 0 HG13 VAL A 135 -7.611 -9.464 5.052 1.00 0.18 H new ATOM 0 HG21 VAL A 135 -5.231 -10.973 3.845 1.00 0.23 H new ATOM 0 HG22 VAL A 135 -6.444 -11.737 4.900 1.00 0.23 H new ATOM 0 HG23 VAL A 135 -6.112 -12.416 3.289 1.00 0.23 H new ATOM 1585 N GLN A 136 -9.283 -11.433 5.630 1.00 0.22 N ATOM 1586 CA GLN A 136 -9.460 -12.096 6.913 1.00 0.29 C ATOM 1587 C GLN A 136 -10.592 -13.110 6.843 1.00 0.42 C ATOM 1588 O GLN A 136 -10.394 -14.289 7.136 1.00 0.52 O ATOM 1589 CB GLN A 136 -9.715 -11.067 8.008 1.00 0.31 C ATOM 1590 CG GLN A 136 -8.536 -10.134 8.207 1.00 0.37 C ATOM 1591 CD GLN A 136 -8.868 -8.938 9.065 1.00 0.52 C ATOM 1592 OE1 GLN A 136 -8.264 -7.806 8.735 1.00 0.91 O flip ATOM 1593 NE2 GLN A 136 -9.663 -9.023 10.002 1.00 0.54 N flip ATOM 0 H GLN A 136 -9.561 -10.452 5.613 1.00 0.22 H new ATOM 0 HA GLN A 136 -8.544 -12.635 7.156 1.00 0.29 H new ATOM 0 HB2 GLN A 136 -10.600 -10.482 7.755 1.00 0.31 H new ATOM 0 HB3 GLN A 136 -9.930 -11.582 8.944 1.00 0.31 H new ATOM 0 HG2 GLN A 136 -7.716 -10.687 8.666 1.00 0.37 H new ATOM 0 HG3 GLN A 136 -8.184 -9.790 7.234 1.00 0.37 H new ATOM 0 HE21 GLN A 136 -10.103 -9.917 10.218 1.00 0.54 H new ATOM 0 HE22 GLN A 136 -9.881 -8.199 10.562 1.00 0.54 H new