USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 833 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 -118:sc= -1.46 USER MOD Set 1.2: A 136 GLN : amide:sc= -0.593 X(o=-2.1,f=-2) USER MOD Set 2.1: A 83 GLN :FLIP amide:sc= -0.96 F(o=-13!,f=-8.7) USER MOD Set 2.2: A 86 ASN :FLIP amide:sc= -7.74! C(o=-12!,f=-8.7!) USER MOD Set 3.1: A 68 LYS NZ :NH3+ -117:sc= -2.77! (180deg=-0.778) USER MOD Set 3.2: A 105 GLN :FLIP amide:sc= -3.21! C(o=-10!,f=-6!) USER MOD Set 4.1: A 60 HIS : no HE2:sc= 0 X(o=0,f=-0.12) USER MOD Set 4.2: A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 31 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 -132:sc= 1.74 USER MOD Single : A 43 THR OG1 : rot 55:sc= -0.371! USER MOD Single : A 47 CYS SG : rot 180:sc= -0.28 USER MOD Single : A 51 SER OG : rot -47:sc= 0.00355 USER MOD Single : A 53 ASN : amide:sc= -1.52 X(o=-1.5,f=-1.1) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN :FLIP amide:sc= -1.38 F(o=-6.4!,f=-1.4) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.28 USER MOD Single : A 69 ASN :FLIP amide:sc= -0.0601 F(o=-1.9!,f=-0.06) 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 64:sc= -0.757 USER MOD Single : A 76 SER OG : rot -27:sc= 0.263 USER MOD Single : A 77 TYR OH : rot 30:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN :FLIP amide:sc= -0.669 F(o=-2.5!,f=-0.67) USER MOD Single : A 84 MET CE :methyl -147:sc= 0 (180deg=-0.344) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN :FLIP amide:sc= -1.65 F(o=-4!,f=-1.7) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0.584 K(o=0.58,f=0) USER MOD Single : A 100 ASN :FLIP amide:sc= -7.09! C(o=-13!,f=-7.1!) USER MOD Single : A 107 CYS SG : rot 80:sc= -1.92! USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot -115:sc= 0.194 USER MOD Single : A 118 THR OG1 : rot 10:sc= 1.59 USER MOD Single : A 119 GLN : amide:sc= 0.416 X(o=0.42,f=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 157:sc= 0.413 (180deg=0.208) USER MOD Single : A 126 SER OG : rot 180:sc= 0 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 1 N SER A 31 9.824 -8.688 5.851 1.00 3.88 N ATOM 2 CA SER A 31 9.105 -8.262 4.657 1.00 3.46 C ATOM 3 C SER A 31 8.050 -9.285 4.264 1.00 2.69 C ATOM 4 O SER A 31 6.956 -8.924 3.827 1.00 2.52 O ATOM 5 CB SER A 31 10.076 -8.047 3.504 1.00 4.00 C ATOM 6 OG SER A 31 9.395 -7.640 2.330 1.00 4.47 O ATOM 0 HA SER A 31 8.605 -7.320 4.882 1.00 3.46 H new ATOM 0 HB2 SER A 31 10.812 -7.292 3.781 1.00 4.00 H new ATOM 0 HB3 SER A 31 10.623 -8.969 3.309 1.00 4.00 H new ATOM 0 HG SER A 31 10.042 -7.508 1.606 1.00 4.47 H new ATOM 12 N GLY A 32 8.380 -10.561 4.428 1.00 2.50 N ATOM 13 CA GLY A 32 7.451 -11.620 4.079 1.00 1.92 C ATOM 14 C GLY A 32 6.938 -11.489 2.658 1.00 1.35 C ATOM 15 O GLY A 32 5.783 -11.807 2.375 1.00 2.24 O ATOM 0 H GLY A 32 9.275 -10.882 4.797 1.00 2.50 H new ATOM 0 HA2 GLY A 32 7.943 -12.586 4.198 1.00 1.92 H new ATOM 0 HA3 GLY A 32 6.608 -11.604 4.770 1.00 1.92 H new ATOM 19 N ALA A 33 7.809 -11.026 1.765 1.00 0.62 N ATOM 20 CA ALA A 33 7.464 -10.836 0.363 1.00 1.21 C ATOM 21 C ALA A 33 6.094 -10.189 0.190 1.00 1.16 C ATOM 22 O ALA A 33 5.370 -10.490 -0.760 1.00 1.95 O ATOM 23 CB ALA A 33 7.535 -12.165 -0.359 1.00 2.01 C ATOM 0 H ALA A 33 8.770 -10.773 1.994 1.00 0.62 H new ATOM 0 HA ALA A 33 8.187 -10.149 -0.075 1.00 1.21 H new ATOM 0 HB1 ALA A 33 7.277 -12.023 -1.408 1.00 2.01 H new ATOM 0 HB2 ALA A 33 8.546 -12.566 -0.285 1.00 2.01 H new ATOM 0 HB3 ALA A 33 6.833 -12.864 0.096 1.00 2.01 H new ATOM 29 N ILE A 34 5.747 -9.303 1.120 1.00 0.39 N ATOM 30 CA ILE A 34 4.478 -8.589 1.077 1.00 0.25 C ATOM 31 C ILE A 34 3.287 -9.530 1.226 1.00 0.24 C ATOM 32 O ILE A 34 2.977 -10.313 0.329 1.00 0.25 O ATOM 33 CB ILE A 34 4.324 -7.785 -0.232 1.00 0.25 C ATOM 34 CG1 ILE A 34 5.421 -6.725 -0.348 1.00 0.29 C ATOM 35 CG2 ILE A 34 2.947 -7.140 -0.313 1.00 0.32 C ATOM 36 CD1 ILE A 34 5.339 -5.656 0.716 1.00 0.35 C ATOM 0 H ILE A 34 6.334 -9.062 1.919 1.00 0.39 H new ATOM 0 HA ILE A 34 4.489 -7.901 1.922 1.00 0.25 H new ATOM 0 HB ILE A 34 4.426 -8.477 -1.068 1.00 0.25 H new ATOM 0 HG12 ILE A 34 6.394 -7.212 -0.288 1.00 0.29 H new ATOM 0 HG13 ILE A 34 5.359 -6.255 -1.330 1.00 0.29 H new ATOM 0 HG21 ILE A 34 2.862 -6.579 -1.244 1.00 0.32 H new ATOM 0 HG22 ILE A 34 2.180 -7.914 -0.285 1.00 0.32 H new ATOM 0 HG23 ILE A 34 2.811 -6.464 0.531 1.00 0.32 H new ATOM 0 HD11 ILE A 34 6.147 -4.938 0.573 1.00 0.35 H new ATOM 0 HD12 ILE A 34 4.380 -5.143 0.643 1.00 0.35 H new ATOM 0 HD13 ILE A 34 5.431 -6.115 1.700 1.00 0.35 H new ATOM 48 N THR A 35 2.626 -9.435 2.371 1.00 0.25 N ATOM 49 CA THR A 35 1.451 -10.241 2.658 1.00 0.26 C ATOM 50 C THR A 35 0.295 -9.333 3.071 1.00 0.23 C ATOM 51 O THR A 35 0.298 -8.141 2.765 1.00 0.31 O ATOM 52 CB THR A 35 1.722 -11.260 3.781 1.00 0.33 C ATOM 53 OG1 THR A 35 2.078 -10.577 4.990 1.00 0.36 O ATOM 54 CG2 THR A 35 2.837 -12.217 3.389 1.00 0.35 C ATOM 0 H THR A 35 2.889 -8.799 3.124 1.00 0.25 H new ATOM 0 HA THR A 35 1.195 -10.791 1.753 1.00 0.26 H new ATOM 0 HB THR A 35 0.811 -11.835 3.943 1.00 0.33 H new ATOM 0 HG1 THR A 35 2.247 -11.233 5.699 1.00 0.36 H new ATOM 0 HG21 THR A 35 3.009 -12.926 4.199 1.00 0.35 H new ATOM 0 HG22 THR A 35 2.552 -12.758 2.487 1.00 0.35 H new ATOM 0 HG23 THR A 35 3.751 -11.653 3.200 1.00 0.35 H new ATOM 62 N LYS A 36 -0.697 -9.886 3.753 1.00 0.18 N ATOM 63 CA LYS A 36 -1.822 -9.084 4.208 1.00 0.15 C ATOM 64 C LYS A 36 -1.395 -8.224 5.393 1.00 0.12 C ATOM 65 O LYS A 36 -1.946 -7.151 5.629 1.00 0.14 O ATOM 66 CB LYS A 36 -3.011 -9.979 4.570 1.00 0.20 C ATOM 67 CG LYS A 36 -3.836 -9.493 5.757 1.00 0.27 C ATOM 68 CD LYS A 36 -3.280 -10.001 7.082 1.00 0.61 C ATOM 69 CE LYS A 36 -3.406 -11.512 7.203 1.00 0.57 C ATOM 70 NZ LYS A 36 -2.860 -12.014 8.493 1.00 0.99 N ATOM 0 H LYS A 36 -0.746 -10.874 4.001 1.00 0.18 H new ATOM 0 HA LYS A 36 -2.141 -8.425 3.401 1.00 0.15 H new ATOM 0 HB2 LYS A 36 -3.664 -10.062 3.701 1.00 0.20 H new ATOM 0 HB3 LYS A 36 -2.641 -10.981 4.788 1.00 0.20 H new ATOM 0 HG2 LYS A 36 -3.854 -8.403 5.765 1.00 0.27 H new ATOM 0 HG3 LYS A 36 -4.867 -9.828 5.644 1.00 0.27 H new ATOM 0 HD2 LYS A 36 -2.232 -9.715 7.170 1.00 0.61 H new ATOM 0 HD3 LYS A 36 -3.811 -9.524 7.906 1.00 0.61 H new ATOM 0 HE2 LYS A 36 -4.455 -11.797 7.118 1.00 0.57 H new ATOM 0 HE3 LYS A 36 -2.878 -11.987 6.376 1.00 0.57 H new ATOM 0 HZ1 LYS A 36 -2.965 -13.048 8.536 1.00 0.99 H new ATOM 0 HZ2 LYS A 36 -1.853 -11.765 8.564 1.00 0.99 H new ATOM 0 HZ3 LYS A 36 -3.380 -11.580 9.282 1.00 0.99 H new ATOM 84 N GLY A 37 -0.407 -8.714 6.132 1.00 0.13 N ATOM 85 CA GLY A 37 0.103 -7.985 7.281 1.00 0.14 C ATOM 86 C GLY A 37 0.730 -6.663 6.883 1.00 0.14 C ATOM 87 O GLY A 37 0.443 -5.625 7.481 1.00 0.15 O ATOM 0 H GLY A 37 0.053 -9.607 5.956 1.00 0.13 H new ATOM 0 HA2 GLY A 37 -0.709 -7.804 7.985 1.00 0.14 H new ATOM 0 HA3 GLY A 37 0.843 -8.596 7.799 1.00 0.14 H new ATOM 91 N VAL A 38 1.589 -6.703 5.868 1.00 0.15 N ATOM 92 CA VAL A 38 2.250 -5.501 5.374 1.00 0.16 C ATOM 93 C VAL A 38 1.217 -4.579 4.748 1.00 0.15 C ATOM 94 O VAL A 38 1.284 -3.356 4.876 1.00 0.16 O ATOM 95 CB VAL A 38 3.320 -5.843 4.311 1.00 0.21 C ATOM 96 CG1 VAL A 38 2.668 -6.419 3.068 1.00 1.11 C ATOM 97 CG2 VAL A 38 4.148 -4.624 3.947 1.00 1.28 C ATOM 0 H VAL A 38 1.843 -7.557 5.372 1.00 0.15 H new ATOM 0 HA VAL A 38 2.740 -5.014 6.218 1.00 0.16 H new ATOM 0 HB VAL A 38 3.987 -6.590 4.742 1.00 0.21 H new ATOM 0 HG11 VAL A 38 3.435 -6.654 2.330 1.00 1.11 H new ATOM 0 HG12 VAL A 38 2.126 -7.328 3.329 1.00 1.11 H new ATOM 0 HG13 VAL A 38 1.974 -5.690 2.650 1.00 1.11 H new ATOM 0 HG21 VAL A 38 4.890 -4.899 3.198 1.00 1.28 H new ATOM 0 HG22 VAL A 38 3.496 -3.848 3.545 1.00 1.28 H new ATOM 0 HG23 VAL A 38 4.653 -4.248 4.837 1.00 1.28 H new ATOM 107 N VAL A 39 0.261 -5.199 4.073 1.00 0.14 N ATOM 108 CA VAL A 39 -0.809 -4.484 3.407 1.00 0.15 C ATOM 109 C VAL A 39 -1.672 -3.730 4.415 1.00 0.14 C ATOM 110 O VAL A 39 -2.069 -2.591 4.173 1.00 0.17 O ATOM 111 CB VAL A 39 -1.647 -5.464 2.558 1.00 0.15 C ATOM 112 CG1 VAL A 39 -3.133 -5.143 2.600 1.00 0.15 C ATOM 113 CG2 VAL A 39 -1.135 -5.463 1.128 1.00 0.17 C ATOM 0 H VAL A 39 0.208 -6.213 3.973 1.00 0.14 H new ATOM 0 HA VAL A 39 -0.375 -3.740 2.738 1.00 0.15 H new ATOM 0 HB VAL A 39 -1.533 -6.460 2.986 1.00 0.15 H new ATOM 0 HG11 VAL A 39 -3.678 -5.861 1.987 1.00 0.15 H new ATOM 0 HG12 VAL A 39 -3.489 -5.200 3.629 1.00 0.15 H new ATOM 0 HG13 VAL A 39 -3.299 -4.137 2.214 1.00 0.15 H new ATOM 0 HG21 VAL A 39 -1.727 -6.155 0.529 1.00 0.17 H new ATOM 0 HG22 VAL A 39 -1.220 -4.459 0.712 1.00 0.17 H new ATOM 0 HG23 VAL A 39 -0.090 -5.774 1.115 1.00 0.17 H new ATOM 123 N LEU A 40 -1.964 -4.368 5.545 1.00 0.13 N ATOM 124 CA LEU A 40 -2.754 -3.730 6.588 1.00 0.14 C ATOM 125 C LEU A 40 -1.998 -2.544 7.172 1.00 0.14 C ATOM 126 O LEU A 40 -2.537 -1.443 7.276 1.00 0.15 O ATOM 127 CB LEU A 40 -3.099 -4.737 7.680 1.00 0.15 C ATOM 128 CG LEU A 40 -4.197 -5.725 7.300 1.00 0.16 C ATOM 129 CD1 LEU A 40 -4.154 -6.943 8.202 1.00 0.17 C ATOM 130 CD2 LEU A 40 -5.558 -5.056 7.375 1.00 0.21 C ATOM 0 H LEU A 40 -1.667 -5.320 5.759 1.00 0.13 H new ATOM 0 HA LEU A 40 -3.683 -3.365 6.150 1.00 0.14 H new ATOM 0 HB2 LEU A 40 -2.199 -5.295 7.941 1.00 0.15 H new ATOM 0 HB3 LEU A 40 -3.408 -4.195 8.573 1.00 0.15 H new ATOM 0 HG LEU A 40 -4.027 -6.052 6.274 1.00 0.16 H new ATOM 0 HD11 LEU A 40 -4.945 -7.636 7.915 1.00 0.17 H new ATOM 0 HD12 LEU A 40 -3.187 -7.435 8.103 1.00 0.17 H new ATOM 0 HD13 LEU A 40 -4.300 -6.634 9.237 1.00 0.17 H new ATOM 0 HD21 LEU A 40 -6.332 -5.773 7.101 1.00 0.21 H new ATOM 0 HD22 LEU A 40 -5.734 -4.702 8.391 1.00 0.21 H new ATOM 0 HD23 LEU A 40 -5.587 -4.211 6.687 1.00 0.21 H new ATOM 142 N ASP A 41 -0.751 -2.782 7.568 1.00 0.16 N ATOM 143 CA ASP A 41 0.084 -1.717 8.110 1.00 0.18 C ATOM 144 C ASP A 41 0.098 -0.533 7.149 1.00 0.18 C ATOM 145 O ASP A 41 0.211 0.621 7.562 1.00 0.20 O ATOM 146 CB ASP A 41 1.508 -2.222 8.348 1.00 0.18 C ATOM 147 CG ASP A 41 2.429 -1.133 8.862 1.00 0.20 C ATOM 148 OD1 ASP A 41 2.469 -0.922 10.093 1.00 0.24 O ATOM 149 OD2 ASP A 41 3.111 -0.492 8.035 1.00 0.21 O ATOM 0 H ASP A 41 -0.300 -3.696 7.524 1.00 0.16 H new ATOM 0 HA ASP A 41 -0.331 -1.396 9.066 1.00 0.18 H new ATOM 0 HB2 ASP A 41 1.484 -3.043 9.065 1.00 0.18 H new ATOM 0 HB3 ASP A 41 1.909 -2.623 7.417 1.00 0.18 H new ATOM 154 N SER A 42 -0.019 -0.842 5.861 1.00 0.17 N ATOM 155 CA SER A 42 -0.033 0.178 4.818 1.00 0.19 C ATOM 156 C SER A 42 -1.355 0.943 4.815 1.00 0.24 C ATOM 157 O SER A 42 -1.370 2.167 4.677 1.00 0.34 O ATOM 158 CB SER A 42 0.219 -0.467 3.454 1.00 0.21 C ATOM 159 OG SER A 42 1.458 -1.153 3.444 1.00 0.30 O ATOM 0 H SER A 42 -0.106 -1.797 5.513 1.00 0.17 H new ATOM 0 HA SER A 42 0.764 0.893 5.024 1.00 0.19 H new ATOM 0 HB2 SER A 42 -0.588 -1.161 3.220 1.00 0.21 H new ATOM 0 HB3 SER A 42 0.216 0.299 2.678 1.00 0.21 H new ATOM 0 HG SER A 42 1.964 -0.903 2.643 1.00 0.30 H new ATOM 165 N THR A 43 -2.462 0.221 4.970 1.00 0.20 N ATOM 166 CA THR A 43 -3.782 0.844 4.996 1.00 0.25 C ATOM 167 C THR A 43 -3.920 1.793 6.181 1.00 0.26 C ATOM 168 O THR A 43 -4.573 2.832 6.084 1.00 0.28 O ATOM 169 CB THR A 43 -4.908 -0.203 5.073 1.00 0.33 C ATOM 170 OG1 THR A 43 -4.406 -1.431 5.605 1.00 0.42 O ATOM 171 CG2 THR A 43 -5.518 -0.450 3.705 1.00 0.38 C ATOM 0 H THR A 43 -2.471 -0.793 5.079 1.00 0.20 H new ATOM 0 HA THR A 43 -3.877 1.401 4.064 1.00 0.25 H new ATOM 0 HB THR A 43 -5.684 0.186 5.733 1.00 0.33 H new ATOM 0 HG1 THR A 43 -3.984 -1.263 6.473 1.00 0.42 H new ATOM 0 HG21 THR A 43 -6.310 -1.194 3.789 1.00 0.38 H new ATOM 0 HG22 THR A 43 -5.933 0.481 3.318 1.00 0.38 H new ATOM 0 HG23 THR A 43 -4.749 -0.815 3.024 1.00 0.38 H new ATOM 179 N GLU A 44 -3.303 1.427 7.300 1.00 0.25 N ATOM 180 CA GLU A 44 -3.361 2.238 8.509 1.00 0.27 C ATOM 181 C GLU A 44 -2.508 3.496 8.380 1.00 0.23 C ATOM 182 O GLU A 44 -2.992 4.603 8.603 1.00 0.21 O ATOM 183 CB GLU A 44 -2.897 1.422 9.711 1.00 0.31 C ATOM 184 CG GLU A 44 -3.578 1.816 11.004 1.00 0.65 C ATOM 185 CD GLU A 44 -3.058 1.040 12.198 1.00 0.79 C ATOM 186 OE1 GLU A 44 -3.591 -0.057 12.470 1.00 1.52 O ATOM 187 OE2 GLU A 44 -2.117 1.526 12.859 1.00 1.06 O ATOM 0 H GLU A 44 -2.756 0.571 7.394 1.00 0.25 H new ATOM 0 HA GLU A 44 -4.397 2.544 8.654 1.00 0.27 H new ATOM 0 HB2 GLU A 44 -3.084 0.366 9.518 1.00 0.31 H new ATOM 0 HB3 GLU A 44 -1.819 1.539 9.826 1.00 0.31 H new ATOM 0 HG2 GLU A 44 -3.432 2.882 11.177 1.00 0.65 H new ATOM 0 HG3 GLU A 44 -4.652 1.653 10.909 1.00 0.65 H new ATOM 194 N ALA A 45 -1.235 3.314 8.034 1.00 0.26 N ATOM 195 CA ALA A 45 -0.310 4.435 7.886 1.00 0.26 C ATOM 196 C ALA A 45 -0.916 5.560 7.051 1.00 0.23 C ATOM 197 O ALA A 45 -0.874 6.729 7.441 1.00 0.23 O ATOM 198 CB ALA A 45 0.992 3.955 7.259 1.00 0.28 C ATOM 0 H ALA A 45 -0.821 2.400 7.851 1.00 0.26 H new ATOM 0 HA ALA A 45 -0.107 4.835 8.879 1.00 0.26 H new ATOM 0 HB1 ALA A 45 1.676 4.797 7.152 1.00 0.28 H new ATOM 0 HB2 ALA A 45 1.446 3.197 7.898 1.00 0.28 H new ATOM 0 HB3 ALA A 45 0.787 3.527 6.278 1.00 0.28 H new ATOM 204 N LEU A 46 -1.493 5.205 5.909 1.00 0.22 N ATOM 205 CA LEU A 46 -2.110 6.198 5.042 1.00 0.21 C ATOM 206 C LEU A 46 -3.384 6.730 5.678 1.00 0.18 C ATOM 207 O LEU A 46 -3.670 7.924 5.606 1.00 0.16 O ATOM 208 CB LEU A 46 -2.394 5.614 3.655 1.00 0.23 C ATOM 209 CG LEU A 46 -3.460 4.522 3.604 1.00 0.23 C ATOM 210 CD1 LEU A 46 -4.837 5.132 3.399 1.00 0.21 C ATOM 211 CD2 LEU A 46 -3.142 3.535 2.497 1.00 0.30 C ATOM 0 H LEU A 46 -1.546 4.246 5.565 1.00 0.22 H new ATOM 0 HA LEU A 46 -1.413 7.027 4.916 1.00 0.21 H new ATOM 0 HB2 LEU A 46 -2.699 6.426 2.994 1.00 0.23 H new ATOM 0 HB3 LEU A 46 -1.465 5.209 3.254 1.00 0.23 H new ATOM 0 HG LEU A 46 -3.462 3.989 4.555 1.00 0.23 H new ATOM 0 HD11 LEU A 46 -5.585 4.340 3.365 1.00 0.21 H new ATOM 0 HD12 LEU A 46 -5.062 5.808 4.224 1.00 0.21 H new ATOM 0 HD13 LEU A 46 -4.853 5.687 2.461 1.00 0.21 H new ATOM 0 HD21 LEU A 46 -3.908 2.760 2.469 1.00 0.30 H new ATOM 0 HD22 LEU A 46 -3.118 4.057 1.540 1.00 0.30 H new ATOM 0 HD23 LEU A 46 -2.171 3.078 2.685 1.00 0.30 H new ATOM 223 N CYS A 47 -4.144 5.835 6.305 1.00 0.17 N ATOM 224 CA CYS A 47 -5.383 6.217 6.970 1.00 0.16 C ATOM 225 C CYS A 47 -5.110 7.322 7.981 1.00 0.16 C ATOM 226 O CYS A 47 -5.908 8.244 8.146 1.00 0.20 O ATOM 227 CB CYS A 47 -6.012 5.011 7.668 1.00 0.19 C ATOM 228 SG CYS A 47 -7.546 5.384 8.550 1.00 0.23 S ATOM 0 H CYS A 47 -3.922 4.841 6.365 1.00 0.17 H new ATOM 0 HA CYS A 47 -6.082 6.585 6.219 1.00 0.16 H new ATOM 0 HB2 CYS A 47 -6.211 4.238 6.925 1.00 0.19 H new ATOM 0 HB3 CYS A 47 -5.292 4.597 8.373 1.00 0.19 H new ATOM 0 HG CYS A 47 -8.002 4.300 9.105 1.00 0.23 H new ATOM 234 N LEU A 48 -3.968 7.218 8.653 1.00 0.17 N ATOM 235 CA LEU A 48 -3.571 8.211 9.636 1.00 0.18 C ATOM 236 C LEU A 48 -3.245 9.520 8.939 1.00 0.18 C ATOM 237 O LEU A 48 -3.520 10.597 9.465 1.00 0.23 O ATOM 238 CB LEU A 48 -2.372 7.717 10.447 1.00 0.21 C ATOM 239 CG LEU A 48 -2.724 7.068 11.789 1.00 0.23 C ATOM 240 CD1 LEU A 48 -3.864 6.072 11.626 1.00 1.20 C ATOM 241 CD2 LEU A 48 -1.501 6.386 12.385 1.00 1.14 C ATOM 0 H LEU A 48 -3.303 6.454 8.532 1.00 0.17 H new ATOM 0 HA LEU A 48 -4.398 8.376 10.327 1.00 0.18 H new ATOM 0 HB2 LEU A 48 -1.817 6.996 9.846 1.00 0.21 H new ATOM 0 HB3 LEU A 48 -1.705 8.559 10.631 1.00 0.21 H new ATOM 0 HG LEU A 48 -3.053 7.851 12.472 1.00 0.23 H new ATOM 0 HD11 LEU A 48 -4.096 5.624 12.592 1.00 1.20 H new ATOM 0 HD12 LEU A 48 -4.745 6.587 11.243 1.00 1.20 H new ATOM 0 HD13 LEU A 48 -3.568 5.291 10.926 1.00 1.20 H new ATOM 0 HD21 LEU A 48 -1.767 5.930 13.338 1.00 1.14 H new ATOM 0 HD22 LEU A 48 -1.144 5.616 11.701 1.00 1.14 H new ATOM 0 HD23 LEU A 48 -0.714 7.123 12.543 1.00 1.14 H new ATOM 253 N ALA A 49 -2.651 9.422 7.751 1.00 0.16 N ATOM 254 CA ALA A 49 -2.326 10.609 6.976 1.00 0.18 C ATOM 255 C ALA A 49 -3.598 11.383 6.671 1.00 0.18 C ATOM 256 O ALA A 49 -3.602 12.614 6.660 1.00 0.28 O ATOM 257 CB ALA A 49 -1.607 10.240 5.691 1.00 0.19 C ATOM 0 H ALA A 49 -2.389 8.540 7.311 1.00 0.16 H new ATOM 0 HA ALA A 49 -1.656 11.237 7.563 1.00 0.18 H new ATOM 0 HB1 ALA A 49 -1.376 11.146 5.131 1.00 0.19 H new ATOM 0 HB2 ALA A 49 -0.682 9.715 5.929 1.00 0.19 H new ATOM 0 HB3 ALA A 49 -2.246 9.594 5.089 1.00 0.19 H new ATOM 263 N ILE A 50 -4.683 10.649 6.422 1.00 0.12 N ATOM 264 CA ILE A 50 -5.971 11.270 6.144 1.00 0.14 C ATOM 265 C ILE A 50 -6.515 11.866 7.432 1.00 0.18 C ATOM 266 O ILE A 50 -7.282 12.830 7.417 1.00 0.21 O ATOM 267 CB ILE A 50 -7.009 10.274 5.573 1.00 0.14 C ATOM 268 CG1 ILE A 50 -6.327 9.112 4.844 1.00 0.15 C ATOM 269 CG2 ILE A 50 -7.947 11.000 4.623 1.00 0.17 C ATOM 270 CD1 ILE A 50 -7.294 8.083 4.294 1.00 0.18 C ATOM 0 H ILE A 50 -4.692 9.629 6.408 1.00 0.12 H new ATOM 0 HA ILE A 50 -5.808 12.037 5.387 1.00 0.14 H new ATOM 0 HB ILE A 50 -7.577 9.861 6.407 1.00 0.14 H new ATOM 0 HG12 ILE A 50 -5.730 9.510 4.024 1.00 0.15 H new ATOM 0 HG13 ILE A 50 -5.638 8.619 5.530 1.00 0.15 H new ATOM 0 HG21 ILE A 50 -8.676 10.296 4.223 1.00 0.17 H new ATOM 0 HG22 ILE A 50 -8.466 11.794 5.160 1.00 0.17 H new ATOM 0 HG23 ILE A 50 -7.372 11.432 3.804 1.00 0.17 H new ATOM 0 HD11 ILE A 50 -6.737 7.292 3.792 1.00 0.18 H new ATOM 0 HD12 ILE A 50 -7.874 7.655 5.112 1.00 0.18 H new ATOM 0 HD13 ILE A 50 -7.967 8.560 3.582 1.00 0.18 H new ATOM 282 N SER A 51 -6.104 11.271 8.549 1.00 0.25 N ATOM 283 CA SER A 51 -6.513 11.730 9.866 1.00 0.31 C ATOM 284 C SER A 51 -5.613 12.876 10.313 1.00 0.35 C ATOM 285 O SER A 51 -5.925 13.599 11.260 1.00 0.40 O ATOM 286 CB SER A 51 -6.432 10.582 10.879 1.00 0.35 C ATOM 287 OG SER A 51 -7.188 10.875 12.042 1.00 0.45 O ATOM 0 H SER A 51 -5.482 10.463 8.563 1.00 0.25 H new ATOM 0 HA SER A 51 -7.544 12.079 9.813 1.00 0.31 H new ATOM 0 HB2 SER A 51 -6.801 9.663 10.423 1.00 0.35 H new ATOM 0 HB3 SER A 51 -5.392 10.406 11.152 1.00 0.35 H new ATOM 0 HG SER A 51 -6.985 11.785 12.343 1.00 0.45 H new ATOM 293 N ARG A 52 -4.489 13.030 9.616 1.00 0.33 N ATOM 294 CA ARG A 52 -3.525 14.078 9.923 1.00 0.40 C ATOM 295 C ARG A 52 -3.819 15.349 9.136 1.00 0.41 C ATOM 296 O ARG A 52 -3.348 16.430 9.486 1.00 0.85 O ATOM 297 CB ARG A 52 -2.110 13.603 9.632 1.00 0.46 C ATOM 298 CG ARG A 52 -1.525 12.768 10.754 1.00 1.01 C ATOM 299 CD ARG A 52 -0.018 12.702 10.648 1.00 1.09 C ATOM 300 NE ARG A 52 0.612 13.968 11.016 1.00 1.61 N ATOM 301 CZ ARG A 52 1.928 14.156 11.052 1.00 1.97 C ATOM 302 NH1 ARG A 52 2.752 13.161 10.752 1.00 1.88 N ATOM 303 NH2 ARG A 52 2.421 15.340 11.388 1.00 2.91 N ATOM 0 H ARG A 52 -4.225 12.436 8.830 1.00 0.33 H new ATOM 0 HA ARG A 52 -3.613 14.306 10.985 1.00 0.40 H new ATOM 0 HB2 ARG A 52 -2.111 13.017 8.713 1.00 0.46 H new ATOM 0 HB3 ARG A 52 -1.470 14.468 9.458 1.00 0.46 H new ATOM 0 HG2 ARG A 52 -1.808 13.195 11.716 1.00 1.01 H new ATOM 0 HG3 ARG A 52 -1.941 11.761 10.718 1.00 1.01 H new ATOM 0 HD2 ARG A 52 0.357 11.909 11.295 1.00 1.09 H new ATOM 0 HD3 ARG A 52 0.263 12.440 9.628 1.00 1.09 H new ATOM 0 HE ARG A 52 0.008 14.753 11.259 1.00 1.61 H new ATOM 0 HH11 ARG A 52 2.377 12.249 10.493 1.00 1.88 H new ATOM 0 HH12 ARG A 52 3.761 13.308 10.780 1.00 1.88 H new ATOM 0 HH21 ARG A 52 1.791 16.108 11.619 1.00 2.91 H new ATOM 0 HH22 ARG A 52 3.431 15.483 11.415 1.00 2.91 H new ATOM 317 N ASN A 53 -4.601 15.211 8.070 1.00 0.47 N ATOM 318 CA ASN A 53 -4.957 16.349 7.232 1.00 0.59 C ATOM 319 C ASN A 53 -6.145 17.099 7.826 1.00 0.83 C ATOM 320 O ASN A 53 -6.713 17.989 7.193 1.00 0.89 O ATOM 321 CB ASN A 53 -5.281 15.876 5.812 1.00 0.48 C ATOM 322 CG ASN A 53 -5.448 17.025 4.837 1.00 1.16 C ATOM 323 OD1 ASN A 53 -6.557 17.508 4.612 1.00 1.88 O ATOM 324 ND2 ASN A 53 -4.342 17.469 4.251 1.00 1.29 N ATOM 0 H ASN A 53 -5.000 14.323 7.767 1.00 0.47 H new ATOM 0 HA ASN A 53 -4.107 17.030 7.190 1.00 0.59 H new ATOM 0 HB2 ASN A 53 -4.484 15.220 5.461 1.00 0.48 H new ATOM 0 HB3 ASN A 53 -6.196 15.284 5.830 1.00 0.48 H new ATOM 0 HD21 ASN A 53 -4.392 18.240 3.585 1.00 1.29 H new ATOM 0 HD22 ASN A 53 -3.443 17.039 4.467 1.00 1.29 H new ATOM 331 N SER A 54 -6.511 16.736 9.052 1.00 1.05 N ATOM 332 CA SER A 54 -7.631 17.370 9.737 1.00 1.41 C ATOM 333 C SER A 54 -7.233 17.803 11.144 1.00 1.56 C ATOM 334 O SER A 54 -7.823 18.722 11.712 1.00 1.78 O ATOM 335 CB SER A 54 -8.825 16.414 9.803 1.00 1.56 C ATOM 336 OG SER A 54 -8.491 15.229 10.506 1.00 2.20 O ATOM 0 H SER A 54 -6.047 16.005 9.591 1.00 1.05 H new ATOM 0 HA SER A 54 -7.916 18.256 9.170 1.00 1.41 H new ATOM 0 HB2 SER A 54 -9.664 16.908 10.294 1.00 1.56 H new ATOM 0 HB3 SER A 54 -9.150 16.162 8.793 1.00 1.56 H new ATOM 0 HG SER A 54 -9.270 14.636 10.536 1.00 2.20 H new ATOM 342 N GLU A 55 -6.228 17.133 11.701 1.00 1.53 N ATOM 343 CA GLU A 55 -5.746 17.447 13.041 1.00 1.81 C ATOM 344 C GLU A 55 -4.476 18.290 12.985 1.00 1.87 C ATOM 345 O GLU A 55 -4.111 18.943 13.963 1.00 2.03 O ATOM 346 CB GLU A 55 -5.482 16.160 13.825 1.00 2.09 C ATOM 347 CG GLU A 55 -6.730 15.325 14.066 1.00 2.65 C ATOM 348 CD GLU A 55 -7.758 16.046 14.918 1.00 3.05 C ATOM 349 OE1 GLU A 55 -8.614 16.751 14.345 1.00 3.68 O ATOM 350 OE2 GLU A 55 -7.704 15.906 16.157 1.00 3.21 O ATOM 0 H GLU A 55 -5.732 16.368 11.244 1.00 1.53 H new ATOM 0 HA GLU A 55 -6.519 18.024 13.549 1.00 1.81 H new ATOM 0 HB2 GLU A 55 -4.752 15.558 13.284 1.00 2.09 H new ATOM 0 HB3 GLU A 55 -5.035 16.415 14.786 1.00 2.09 H new ATOM 0 HG2 GLU A 55 -7.178 15.062 13.108 1.00 2.65 H new ATOM 0 HG3 GLU A 55 -6.450 14.391 14.554 1.00 2.65 H new ATOM 357 N GLN A 56 -3.807 18.276 11.833 1.00 1.85 N ATOM 358 CA GLN A 56 -2.574 19.039 11.655 1.00 2.05 C ATOM 359 C GLN A 56 -2.449 19.587 10.232 1.00 1.77 C ATOM 360 O GLN A 56 -1.443 20.206 9.887 1.00 2.35 O ATOM 361 CB GLN A 56 -1.352 18.175 11.979 1.00 2.57 C ATOM 362 CG GLN A 56 -1.357 17.608 13.389 1.00 3.12 C ATOM 363 CD GLN A 56 -1.768 16.147 13.434 1.00 3.51 C ATOM 364 OE1 GLN A 56 -2.605 15.734 12.490 1.00 4.31 O flip ATOM 365 NE2 GLN A 56 -1.336 15.398 14.311 1.00 3.12 N flip ATOM 0 H GLN A 56 -4.098 17.746 11.011 1.00 1.85 H new ATOM 0 HA GLN A 56 -2.615 19.882 12.345 1.00 2.05 H new ATOM 0 HB2 GLN A 56 -1.302 17.352 11.267 1.00 2.57 H new ATOM 0 HB3 GLN A 56 -0.450 18.771 11.841 1.00 2.57 H new ATOM 0 HG2 GLN A 56 -0.362 17.714 13.822 1.00 3.12 H new ATOM 0 HG3 GLN A 56 -2.038 18.192 14.008 1.00 3.12 H new ATOM 0 HE21 GLN A 56 -0.694 15.757 15.018 1.00 3.12 H new ATOM 0 HE22 GLN A 56 -1.620 14.419 14.331 1.00 3.12 H new ATOM 374 N MET A 57 -3.477 19.358 9.414 1.00 1.64 N ATOM 375 CA MET A 57 -3.475 19.820 8.028 1.00 1.78 C ATOM 376 C MET A 57 -2.207 19.368 7.309 1.00 1.42 C ATOM 377 O MET A 57 -1.539 20.165 6.648 1.00 1.78 O ATOM 378 CB MET A 57 -3.590 21.346 7.974 1.00 2.45 C ATOM 379 CG MET A 57 -4.827 21.891 8.670 1.00 2.93 C ATOM 380 SD MET A 57 -4.943 23.688 8.571 1.00 3.79 S ATOM 381 CE MET A 57 -6.440 23.983 9.508 1.00 3.85 C ATOM 0 H MET A 57 -4.321 18.855 9.688 1.00 1.64 H new ATOM 0 HA MET A 57 -4.336 19.382 7.523 1.00 1.78 H new ATOM 0 HB2 MET A 57 -2.703 21.785 8.432 1.00 2.45 H new ATOM 0 HB3 MET A 57 -3.601 21.664 6.931 1.00 2.45 H new ATOM 0 HG2 MET A 57 -5.716 21.448 8.222 1.00 2.93 H new ATOM 0 HG3 MET A 57 -4.813 21.589 9.717 1.00 2.93 H new ATOM 0 HE1 MET A 57 -6.646 25.053 9.537 1.00 3.85 H new ATOM 0 HE2 MET A 57 -7.274 23.466 9.034 1.00 3.85 H new ATOM 0 HE3 MET A 57 -6.313 23.610 10.524 1.00 3.85 H new ATOM 391 N ALA A 58 -1.882 18.085 7.443 1.00 1.35 N ATOM 392 CA ALA A 58 -0.688 17.522 6.820 1.00 1.07 C ATOM 393 C ALA A 58 -0.654 17.792 5.317 1.00 1.14 C ATOM 394 O ALA A 58 -0.115 18.807 4.876 1.00 1.92 O ATOM 395 CB ALA A 58 -0.600 16.028 7.095 1.00 0.89 C ATOM 0 H ALA A 58 -2.431 17.414 7.980 1.00 1.35 H new ATOM 0 HA ALA A 58 0.178 18.014 7.262 1.00 1.07 H new ATOM 0 HB1 ALA A 58 0.296 15.623 6.624 1.00 0.89 H new ATOM 0 HB2 ALA A 58 -0.552 15.858 8.171 1.00 0.89 H new ATOM 0 HB3 ALA A 58 -1.480 15.531 6.688 1.00 0.89 H new ATOM 401 N SER A 59 -1.233 16.880 4.537 1.00 0.79 N ATOM 402 CA SER A 59 -1.260 17.023 3.085 1.00 1.11 C ATOM 403 C SER A 59 -2.058 15.898 2.439 1.00 0.72 C ATOM 404 O SER A 59 -2.024 14.756 2.898 1.00 0.72 O ATOM 405 CB SER A 59 0.166 17.031 2.526 1.00 1.84 C ATOM 406 OG SER A 59 0.845 15.828 2.842 1.00 2.28 O ATOM 0 H SER A 59 -1.688 16.037 4.887 1.00 0.79 H new ATOM 0 HA SER A 59 -1.745 17.971 2.850 1.00 1.11 H new ATOM 0 HB2 SER A 59 0.135 17.161 1.444 1.00 1.84 H new ATOM 0 HB3 SER A 59 0.715 17.880 2.934 1.00 1.84 H new ATOM 0 HG SER A 59 1.752 15.858 2.472 1.00 2.28 H new ATOM 412 N HIS A 60 -2.780 16.231 1.372 1.00 0.54 N ATOM 413 CA HIS A 60 -3.580 15.246 0.656 1.00 0.41 C ATOM 414 C HIS A 60 -2.670 14.304 -0.126 1.00 0.37 C ATOM 415 O HIS A 60 -3.073 13.206 -0.509 1.00 0.60 O ATOM 416 CB HIS A 60 -4.570 15.940 -0.290 1.00 0.56 C ATOM 417 CG HIS A 60 -4.076 16.073 -1.699 1.00 0.48 C ATOM 418 ND1 HIS A 60 -3.069 16.945 -2.030 1.00 1.10 N ATOM 419 CD2 HIS A 60 -4.476 15.414 -2.814 1.00 0.48 C ATOM 420 CE1 HIS A 60 -2.879 16.801 -3.329 1.00 1.30 C ATOM 421 NE2 HIS A 60 -3.709 15.884 -3.848 1.00 0.80 N ATOM 0 H HIS A 60 -2.826 17.174 0.986 1.00 0.54 H new ATOM 0 HA HIS A 60 -4.150 14.665 1.381 1.00 0.41 H new ATOM 0 HB2 HIS A 60 -5.505 15.380 -0.295 1.00 0.56 H new ATOM 0 HB3 HIS A 60 -4.795 16.932 0.100 1.00 0.56 H new ATOM 0 HD1 HIS A 60 -2.570 17.575 -1.402 1.00 1.10 H new ATOM 0 HD2 HIS A 60 -5.250 14.663 -2.876 1.00 0.48 H new ATOM 0 HE1 HIS A 60 -2.147 17.352 -3.901 1.00 1.30 H new ATOM 429 N SER A 61 -1.441 14.755 -0.363 1.00 0.33 N ATOM 430 CA SER A 61 -0.460 13.962 -1.091 1.00 0.40 C ATOM 431 C SER A 61 0.145 12.897 -0.185 1.00 0.29 C ATOM 432 O SER A 61 0.875 12.020 -0.642 1.00 0.28 O ATOM 433 CB SER A 61 0.644 14.864 -1.648 1.00 0.58 C ATOM 434 OG SER A 61 0.109 15.843 -2.521 1.00 1.58 O ATOM 0 H SER A 61 -1.102 15.668 -0.060 1.00 0.33 H new ATOM 0 HA SER A 61 -0.965 13.468 -1.921 1.00 0.40 H new ATOM 0 HB2 SER A 61 1.168 15.352 -0.827 1.00 0.58 H new ATOM 0 HB3 SER A 61 1.378 14.259 -2.180 1.00 0.58 H new ATOM 0 HG SER A 61 0.833 16.408 -2.862 1.00 1.58 H new ATOM 440 N ALA A 62 -0.163 12.988 1.104 1.00 0.26 N ATOM 441 CA ALA A 62 0.338 12.031 2.082 1.00 0.24 C ATOM 442 C ALA A 62 -0.453 10.730 2.006 1.00 0.19 C ATOM 443 O ALA A 62 0.118 9.641 2.003 1.00 0.21 O ATOM 444 CB ALA A 62 0.263 12.628 3.480 1.00 0.33 C ATOM 0 H ALA A 62 -0.759 13.717 1.496 1.00 0.26 H new ATOM 0 HA ALA A 62 1.381 11.807 1.856 1.00 0.24 H new ATOM 0 HB1 ALA A 62 0.639 11.906 4.205 1.00 0.33 H new ATOM 0 HB2 ALA A 62 0.868 13.533 3.522 1.00 0.33 H new ATOM 0 HB3 ALA A 62 -0.773 12.873 3.716 1.00 0.33 H new ATOM 450 N VAL A 63 -1.774 10.861 1.945 1.00 0.18 N ATOM 451 CA VAL A 63 -2.659 9.705 1.847 1.00 0.16 C ATOM 452 C VAL A 63 -2.633 9.148 0.428 1.00 0.15 C ATOM 453 O VAL A 63 -2.877 7.966 0.204 1.00 0.18 O ATOM 454 CB VAL A 63 -4.109 10.069 2.236 1.00 0.17 C ATOM 455 CG1 VAL A 63 -4.467 11.461 1.741 1.00 0.21 C ATOM 456 CG2 VAL A 63 -5.096 9.038 1.700 1.00 0.19 C ATOM 0 H VAL A 63 -2.257 11.759 1.962 1.00 0.18 H new ATOM 0 HA VAL A 63 -2.299 8.949 2.545 1.00 0.16 H new ATOM 0 HB VAL A 63 -4.174 10.065 3.324 1.00 0.17 H new ATOM 0 HG11 VAL A 63 -5.492 11.696 2.026 1.00 0.21 H new ATOM 0 HG12 VAL A 63 -3.790 12.191 2.186 1.00 0.21 H new ATOM 0 HG13 VAL A 63 -4.375 11.496 0.655 1.00 0.21 H new ATOM 0 HG21 VAL A 63 -6.109 9.319 1.989 1.00 0.19 H new ATOM 0 HG22 VAL A 63 -5.026 8.998 0.613 1.00 0.19 H new ATOM 0 HG23 VAL A 63 -4.860 8.058 2.115 1.00 0.19 H new ATOM 466 N LEU A 64 -2.359 10.029 -0.522 1.00 0.16 N ATOM 467 CA LEU A 64 -2.271 9.667 -1.931 1.00 0.18 C ATOM 468 C LEU A 64 -0.982 8.901 -2.214 1.00 0.20 C ATOM 469 O LEU A 64 -1.014 7.817 -2.796 1.00 0.24 O ATOM 470 CB LEU A 64 -2.338 10.930 -2.803 1.00 0.17 C ATOM 471 CG LEU A 64 -2.703 10.710 -4.278 1.00 0.17 C ATOM 472 CD1 LEU A 64 -1.550 10.071 -5.039 1.00 0.23 C ATOM 473 CD2 LEU A 64 -3.959 9.858 -4.398 1.00 0.24 C ATOM 0 H LEU A 64 -2.191 11.018 -0.338 1.00 0.16 H new ATOM 0 HA LEU A 64 -3.114 9.020 -2.174 1.00 0.18 H new ATOM 0 HB2 LEU A 64 -3.068 11.611 -2.366 1.00 0.17 H new ATOM 0 HB3 LEU A 64 -1.370 11.430 -2.759 1.00 0.17 H new ATOM 0 HG LEU A 64 -2.901 11.685 -4.723 1.00 0.17 H new ATOM 0 HD11 LEU A 64 -1.837 9.927 -6.081 1.00 0.23 H new ATOM 0 HD12 LEU A 64 -0.677 10.721 -4.990 1.00 0.23 H new ATOM 0 HD13 LEU A 64 -1.310 9.106 -4.592 1.00 0.23 H new ATOM 0 HD21 LEU A 64 -4.201 9.713 -5.451 1.00 0.24 H new ATOM 0 HD22 LEU A 64 -3.788 8.889 -3.929 1.00 0.24 H new ATOM 0 HD23 LEU A 64 -4.788 10.361 -3.901 1.00 0.24 H new ATOM 485 N GLU A 65 0.153 9.470 -1.806 1.00 0.19 N ATOM 486 CA GLU A 65 1.447 8.824 -2.013 1.00 0.22 C ATOM 487 C GLU A 65 1.462 7.479 -1.301 1.00 0.20 C ATOM 488 O GLU A 65 1.815 6.448 -1.879 1.00 0.21 O ATOM 489 CB GLU A 65 2.576 9.714 -1.488 1.00 0.23 C ATOM 490 CG GLU A 65 3.956 9.090 -1.617 1.00 0.32 C ATOM 491 CD GLU A 65 5.057 9.993 -1.096 1.00 1.32 C ATOM 492 OE1 GLU A 65 5.350 9.933 0.117 1.00 2.32 O ATOM 493 OE2 GLU A 65 5.624 10.762 -1.901 1.00 1.65 O ATOM 0 H GLU A 65 0.202 10.372 -1.333 1.00 0.19 H new ATOM 0 HA GLU A 65 1.602 8.667 -3.080 1.00 0.22 H new ATOM 0 HB2 GLU A 65 2.563 10.660 -2.029 1.00 0.23 H new ATOM 0 HB3 GLU A 65 2.388 9.944 -0.439 1.00 0.23 H new ATOM 0 HG2 GLU A 65 3.976 8.147 -1.071 1.00 0.32 H new ATOM 0 HG3 GLU A 65 4.148 8.856 -2.664 1.00 0.32 H new ATOM 500 N ALA A 66 1.057 7.507 -0.040 1.00 0.18 N ATOM 501 CA ALA A 66 0.985 6.297 0.757 1.00 0.16 C ATOM 502 C ALA A 66 -0.103 5.411 0.185 1.00 0.22 C ATOM 503 O ALA A 66 -0.060 4.186 0.300 1.00 0.29 O ATOM 504 CB ALA A 66 0.702 6.619 2.215 1.00 0.16 C ATOM 0 H ALA A 66 0.774 8.355 0.451 1.00 0.18 H new ATOM 0 HA ALA A 66 1.944 5.780 0.721 1.00 0.16 H new ATOM 0 HB1 ALA A 66 0.653 5.694 2.789 1.00 0.16 H new ATOM 0 HB2 ALA A 66 1.499 7.249 2.610 1.00 0.16 H new ATOM 0 HB3 ALA A 66 -0.249 7.145 2.293 1.00 0.16 H new ATOM 510 N GLY A 67 -1.083 6.060 -0.439 1.00 0.29 N ATOM 511 CA GLY A 67 -2.185 5.356 -1.051 1.00 0.40 C ATOM 512 C GLY A 67 -1.733 4.470 -2.193 1.00 0.26 C ATOM 513 O GLY A 67 -2.122 3.305 -2.281 1.00 0.25 O ATOM 0 H GLY A 67 -1.128 7.075 -0.529 1.00 0.29 H new ATOM 0 HA2 GLY A 67 -2.688 4.748 -0.299 1.00 0.40 H new ATOM 0 HA3 GLY A 67 -2.915 6.077 -1.419 1.00 0.40 H new ATOM 517 N LYS A 68 -0.905 5.034 -3.071 1.00 0.21 N ATOM 518 CA LYS A 68 -0.389 4.307 -4.219 1.00 0.15 C ATOM 519 C LYS A 68 0.428 3.115 -3.757 1.00 0.16 C ATOM 520 O LYS A 68 0.384 2.043 -4.360 1.00 0.21 O ATOM 521 CB LYS A 68 0.481 5.223 -5.085 1.00 0.18 C ATOM 522 CG LYS A 68 -0.029 5.385 -6.506 1.00 0.66 C ATOM 523 CD LYS A 68 -1.148 6.407 -6.582 1.00 0.65 C ATOM 524 CE LYS A 68 -2.198 6.005 -7.602 1.00 0.73 C ATOM 525 NZ LYS A 68 -3.141 7.118 -7.900 1.00 0.83 N ATOM 0 H LYS A 68 -0.578 5.998 -3.004 1.00 0.21 H new ATOM 0 HA LYS A 68 -1.233 3.956 -4.813 1.00 0.15 H new ATOM 0 HB2 LYS A 68 0.539 6.205 -4.615 1.00 0.18 H new ATOM 0 HB3 LYS A 68 1.495 4.824 -5.116 1.00 0.18 H new ATOM 0 HG2 LYS A 68 0.791 5.693 -7.155 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -0.386 4.424 -6.877 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -1.613 6.513 -5.602 1.00 0.65 H new ATOM 0 HD3 LYS A 68 -0.736 7.381 -6.846 1.00 0.65 H new ATOM 0 HE2 LYS A 68 -1.707 5.690 -8.523 1.00 0.73 H new ATOM 0 HE3 LYS A 68 -2.757 5.147 -7.228 1.00 0.73 H new ATOM 0 HZ1 LYS A 68 -4.102 6.846 -7.611 1.00 0.83 H new ATOM 0 HZ2 LYS A 68 -2.850 7.969 -7.377 1.00 0.83 H new ATOM 0 HZ3 LYS A 68 -3.130 7.318 -8.920 1.00 0.83 H new ATOM 539 N ASN A 69 1.176 3.314 -2.677 1.00 0.16 N ATOM 540 CA ASN A 69 2.006 2.262 -2.115 1.00 0.19 C ATOM 541 C ASN A 69 1.151 1.074 -1.698 1.00 0.20 C ATOM 542 O ASN A 69 1.471 -0.076 -2.004 1.00 0.23 O ATOM 543 CB ASN A 69 2.768 2.806 -0.906 1.00 0.21 C ATOM 544 CG ASN A 69 3.933 3.706 -1.285 1.00 0.25 C ATOM 545 OD1 ASN A 69 3.812 4.405 -2.408 1.00 0.53 O flip ATOM 546 ND2 ASN A 69 4.933 3.772 -0.571 1.00 0.30 N flip ATOM 0 H ASN A 69 1.222 4.200 -2.173 1.00 0.16 H new ATOM 0 HA ASN A 69 2.715 1.928 -2.872 1.00 0.19 H new ATOM 0 HB2 ASN A 69 2.079 3.363 -0.272 1.00 0.21 H new ATOM 0 HB3 ASN A 69 3.141 1.970 -0.314 1.00 0.21 H new ATOM 0 HD21 ASN A 69 4.987 3.218 0.284 1.00 0.30 H new ATOM 0 HD22 ASN A 69 5.708 4.380 -0.834 1.00 0.30 H new ATOM 553 N LEU A 70 0.052 1.366 -1.015 1.00 0.20 N ATOM 554 CA LEU A 70 -0.855 0.329 -0.545 1.00 0.21 C ATOM 555 C LEU A 70 -1.367 -0.506 -1.710 1.00 0.19 C ATOM 556 O LEU A 70 -1.350 -1.736 -1.660 1.00 0.21 O ATOM 557 CB LEU A 70 -2.032 0.953 0.191 1.00 0.24 C ATOM 558 CG LEU A 70 -3.112 -0.035 0.619 1.00 0.28 C ATOM 559 CD1 LEU A 70 -2.696 -0.768 1.881 1.00 1.00 C ATOM 560 CD2 LEU A 70 -4.436 0.681 0.820 1.00 1.41 C ATOM 0 H LEU A 70 -0.233 2.315 -0.774 1.00 0.20 H new ATOM 0 HA LEU A 70 -0.305 -0.319 0.138 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -1.658 1.468 1.076 1.00 0.24 H new ATOM 0 HB3 LEU A 70 -2.484 1.710 -0.450 1.00 0.24 H new ATOM 0 HG LEU A 70 -3.240 -0.773 -0.173 1.00 0.28 H new ATOM 0 HD11 LEU A 70 -3.480 -1.468 2.170 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -1.771 -1.315 1.696 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -2.538 -0.048 2.684 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -5.196 -0.038 1.125 1.00 1.41 H new ATOM 0 HD22 LEU A 70 -4.325 1.441 1.593 1.00 1.41 H new ATOM 0 HD23 LEU A 70 -4.739 1.155 -0.114 1.00 1.41 H new ATOM 572 N TYR A 71 -1.827 0.170 -2.760 1.00 0.15 N ATOM 573 CA TYR A 71 -2.335 -0.518 -3.938 1.00 0.14 C ATOM 574 C TYR A 71 -1.250 -1.403 -4.534 1.00 0.14 C ATOM 575 O TYR A 71 -1.530 -2.490 -5.037 1.00 0.16 O ATOM 576 CB TYR A 71 -2.828 0.492 -4.987 1.00 0.14 C ATOM 577 CG TYR A 71 -2.984 -0.099 -6.374 1.00 0.13 C ATOM 578 CD1 TYR A 71 -4.156 -0.742 -6.743 1.00 0.75 C ATOM 579 CD2 TYR A 71 -1.958 -0.014 -7.308 1.00 0.71 C ATOM 580 CE1 TYR A 71 -4.305 -1.286 -8.004 1.00 0.75 C ATOM 581 CE2 TYR A 71 -2.099 -0.557 -8.573 1.00 0.72 C ATOM 582 CZ TYR A 71 -3.275 -1.191 -8.916 1.00 0.16 C ATOM 583 OH TYR A 71 -3.420 -1.733 -10.173 1.00 0.19 O ATOM 0 H TYR A 71 -1.857 1.188 -2.817 1.00 0.15 H new ATOM 0 HA TYR A 71 -3.177 -1.141 -3.637 1.00 0.14 H new ATOM 0 HB2 TYR A 71 -3.787 0.899 -4.665 1.00 0.14 H new ATOM 0 HB3 TYR A 71 -2.127 1.326 -5.033 1.00 0.14 H new ATOM 0 HD1 TYR A 71 -4.966 -0.819 -6.033 1.00 0.75 H new ATOM 0 HD2 TYR A 71 -1.037 0.483 -7.042 1.00 0.71 H new ATOM 0 HE1 TYR A 71 -5.224 -1.784 -8.275 1.00 0.75 H new ATOM 0 HE2 TYR A 71 -1.293 -0.485 -9.288 1.00 0.72 H new ATOM 0 HH TYR A 71 -2.603 -1.579 -10.692 1.00 0.19 H new ATOM 593 N SER A 72 -0.009 -0.934 -4.451 1.00 0.14 N ATOM 594 CA SER A 72 1.123 -1.668 -4.997 1.00 0.17 C ATOM 595 C SER A 72 1.526 -2.840 -4.109 1.00 0.13 C ATOM 596 O SER A 72 2.171 -3.782 -4.581 1.00 0.32 O ATOM 597 CB SER A 72 2.310 -0.731 -5.207 1.00 0.29 C ATOM 598 OG SER A 72 3.477 -1.455 -5.558 1.00 1.13 O ATOM 0 H SER A 72 0.237 -0.048 -4.010 1.00 0.14 H new ATOM 0 HA SER A 72 0.813 -2.078 -5.959 1.00 0.17 H new ATOM 0 HB2 SER A 72 2.075 -0.012 -5.992 1.00 0.29 H new ATOM 0 HB3 SER A 72 2.492 -0.161 -4.296 1.00 0.29 H new ATOM 0 HG SER A 72 4.222 -0.832 -5.688 1.00 1.13 H new ATOM 604 N PHE A 73 1.120 -2.825 -2.838 1.00 0.20 N ATOM 605 CA PHE A 73 1.484 -3.926 -1.950 1.00 0.17 C ATOM 606 C PHE A 73 0.479 -5.047 -2.125 1.00 0.13 C ATOM 607 O PHE A 73 0.844 -6.217 -2.239 1.00 0.15 O ATOM 608 CB PHE A 73 1.506 -3.489 -0.485 1.00 0.24 C ATOM 609 CG PHE A 73 2.442 -2.357 -0.190 1.00 0.24 C ATOM 610 CD1 PHE A 73 3.719 -2.359 -0.716 1.00 0.27 C ATOM 611 CD2 PHE A 73 2.050 -1.294 0.609 1.00 0.23 C ATOM 612 CE1 PHE A 73 4.593 -1.324 -0.455 1.00 0.28 C ATOM 613 CE2 PHE A 73 2.920 -0.254 0.875 1.00 0.23 C ATOM 614 CZ PHE A 73 4.160 -0.248 0.372 1.00 0.26 C ATOM 0 H PHE A 73 0.558 -2.088 -2.412 1.00 0.20 H new ATOM 0 HA PHE A 73 2.487 -4.261 -2.212 1.00 0.17 H new ATOM 0 HB2 PHE A 73 0.498 -3.197 -0.191 1.00 0.24 H new ATOM 0 HB3 PHE A 73 1.783 -4.344 0.132 1.00 0.24 H new ATOM 0 HD1 PHE A 73 4.037 -3.181 -1.340 1.00 0.27 H new ATOM 0 HD2 PHE A 73 1.055 -1.279 1.028 1.00 0.23 H new ATOM 0 HE1 PHE A 73 5.590 -1.329 -0.871 1.00 0.28 H new ATOM 0 HE2 PHE A 73 2.594 0.566 1.498 1.00 0.23 H new ATOM 0 HZ PHE A 73 4.830 0.570 0.592 1.00 0.26 H new ATOM 624 N CYS A 74 -0.797 -4.675 -2.164 1.00 0.15 N ATOM 625 CA CYS A 74 -1.855 -5.643 -2.361 1.00 0.20 C ATOM 626 C CYS A 74 -1.785 -6.174 -3.786 1.00 0.16 C ATOM 627 O CYS A 74 -2.316 -7.239 -4.091 1.00 0.27 O ATOM 628 CB CYS A 74 -3.227 -5.011 -2.113 1.00 0.31 C ATOM 629 SG CYS A 74 -3.293 -3.893 -0.694 1.00 0.90 S ATOM 0 H CYS A 74 -1.116 -3.712 -2.061 1.00 0.15 H new ATOM 0 HA CYS A 74 -1.722 -6.459 -1.651 1.00 0.20 H new ATOM 0 HB2 CYS A 74 -3.527 -4.462 -3.006 1.00 0.31 H new ATOM 0 HB3 CYS A 74 -3.958 -5.806 -1.967 1.00 0.31 H new ATOM 0 HG CYS A 74 -2.511 -2.877 -0.906 1.00 0.90 H new ATOM 635 N VAL A 75 -1.124 -5.408 -4.655 1.00 0.25 N ATOM 636 CA VAL A 75 -0.970 -5.783 -6.050 1.00 0.28 C ATOM 637 C VAL A 75 0.031 -6.929 -6.185 1.00 0.27 C ATOM 638 O VAL A 75 -0.218 -7.897 -6.904 1.00 0.29 O ATOM 639 CB VAL A 75 -0.516 -4.568 -6.898 1.00 0.37 C ATOM 640 CG1 VAL A 75 0.800 -4.835 -7.613 1.00 0.38 C ATOM 641 CG2 VAL A 75 -1.595 -4.171 -7.892 1.00 0.43 C ATOM 0 H VAL A 75 -0.686 -4.520 -4.409 1.00 0.25 H new ATOM 0 HA VAL A 75 -1.938 -6.118 -6.423 1.00 0.28 H new ATOM 0 HB VAL A 75 -0.352 -3.737 -6.212 1.00 0.37 H new ATOM 0 HG11 VAL A 75 1.082 -3.958 -8.196 1.00 0.38 H new ATOM 0 HG12 VAL A 75 1.577 -5.047 -6.878 1.00 0.38 H new ATOM 0 HG13 VAL A 75 0.686 -5.691 -8.278 1.00 0.38 H new ATOM 0 HG21 VAL A 75 -1.255 -3.316 -8.476 1.00 0.43 H new ATOM 0 HG22 VAL A 75 -1.801 -5.008 -8.559 1.00 0.43 H new ATOM 0 HG23 VAL A 75 -2.505 -3.904 -7.354 1.00 0.43 H new ATOM 651 N SER A 76 1.163 -6.818 -5.488 1.00 0.27 N ATOM 652 CA SER A 76 2.184 -7.859 -5.533 1.00 0.28 C ATOM 653 C SER A 76 1.819 -9.001 -4.591 1.00 0.23 C ATOM 654 O SER A 76 2.432 -10.068 -4.619 1.00 0.26 O ATOM 655 CB SER A 76 3.550 -7.283 -5.158 1.00 0.32 C ATOM 656 OG SER A 76 4.547 -8.291 -5.157 1.00 0.90 O ATOM 0 H SER A 76 1.392 -6.023 -4.891 1.00 0.27 H new ATOM 0 HA SER A 76 2.236 -8.247 -6.550 1.00 0.28 H new ATOM 0 HB2 SER A 76 3.823 -6.498 -5.863 1.00 0.32 H new ATOM 0 HB3 SER A 76 3.495 -6.821 -4.172 1.00 0.32 H new ATOM 0 HG SER A 76 4.135 -9.159 -4.962 1.00 0.90 H new ATOM 662 N TYR A 77 0.813 -8.760 -3.757 1.00 0.18 N ATOM 663 CA TYR A 77 0.342 -9.754 -2.800 1.00 0.16 C ATOM 664 C TYR A 77 -0.816 -10.557 -3.392 1.00 0.17 C ATOM 665 O TYR A 77 -1.021 -11.722 -3.050 1.00 0.20 O ATOM 666 CB TYR A 77 -0.080 -9.052 -1.502 1.00 0.16 C ATOM 667 CG TYR A 77 -1.221 -9.716 -0.768 1.00 0.15 C ATOM 668 CD1 TYR A 77 -0.991 -10.730 0.153 1.00 0.17 C ATOM 669 CD2 TYR A 77 -2.531 -9.324 -0.999 1.00 0.20 C ATOM 670 CE1 TYR A 77 -2.037 -11.332 0.823 1.00 0.19 C ATOM 671 CE2 TYR A 77 -3.581 -9.921 -0.335 1.00 0.22 C ATOM 672 CZ TYR A 77 -3.331 -10.925 0.576 1.00 0.21 C ATOM 673 OH TYR A 77 -4.375 -11.522 1.243 1.00 0.25 O ATOM 0 H TYR A 77 0.304 -7.876 -3.725 1.00 0.18 H new ATOM 0 HA TYR A 77 1.149 -10.452 -2.575 1.00 0.16 H new ATOM 0 HB2 TYR A 77 0.781 -9.000 -0.836 1.00 0.16 H new ATOM 0 HB3 TYR A 77 -0.364 -8.026 -1.736 1.00 0.16 H new ATOM 0 HD1 TYR A 77 0.021 -11.052 0.348 1.00 0.17 H new ATOM 0 HD2 TYR A 77 -2.732 -8.537 -1.711 1.00 0.20 H new ATOM 0 HE1 TYR A 77 -1.843 -12.118 1.537 1.00 0.19 H new ATOM 0 HE2 TYR A 77 -4.595 -9.604 -0.528 1.00 0.22 H new ATOM 0 HH TYR A 77 -4.071 -11.822 2.125 1.00 0.25 H new ATOM 683 N VAL A 78 -1.569 -9.918 -4.283 1.00 0.19 N ATOM 684 CA VAL A 78 -2.712 -10.547 -4.937 1.00 0.25 C ATOM 685 C VAL A 78 -2.294 -11.755 -5.776 1.00 0.27 C ATOM 686 O VAL A 78 -3.064 -12.699 -5.952 1.00 0.25 O ATOM 687 CB VAL A 78 -3.457 -9.523 -5.824 1.00 0.33 C ATOM 688 CG1 VAL A 78 -3.068 -9.657 -7.291 1.00 0.98 C ATOM 689 CG2 VAL A 78 -4.956 -9.659 -5.646 1.00 0.72 C ATOM 0 H VAL A 78 -1.405 -8.953 -4.571 1.00 0.19 H new ATOM 0 HA VAL A 78 -3.381 -10.900 -4.152 1.00 0.25 H new ATOM 0 HB VAL A 78 -3.158 -8.526 -5.501 1.00 0.33 H new ATOM 0 HG11 VAL A 78 -3.613 -8.920 -7.881 1.00 0.98 H new ATOM 0 HG12 VAL A 78 -1.997 -9.489 -7.400 1.00 0.98 H new ATOM 0 HG13 VAL A 78 -3.316 -10.658 -7.643 1.00 0.98 H new ATOM 0 HG21 VAL A 78 -5.465 -8.931 -6.278 1.00 0.72 H new ATOM 0 HG22 VAL A 78 -5.266 -10.665 -5.929 1.00 0.72 H new ATOM 0 HG23 VAL A 78 -5.216 -9.479 -4.603 1.00 0.72 H new ATOM 699 N ASP A 79 -1.077 -11.716 -6.302 1.00 0.36 N ATOM 700 CA ASP A 79 -0.564 -12.811 -7.117 1.00 0.41 C ATOM 701 C ASP A 79 -0.307 -14.038 -6.252 1.00 0.43 C ATOM 702 O ASP A 79 0.047 -15.106 -6.753 1.00 0.51 O ATOM 703 CB ASP A 79 0.723 -12.389 -7.829 1.00 0.48 C ATOM 704 CG ASP A 79 1.227 -13.446 -8.792 1.00 0.68 C ATOM 705 OD1 ASP A 79 0.785 -13.446 -9.960 1.00 1.31 O ATOM 706 OD2 ASP A 79 2.065 -14.275 -8.378 1.00 0.93 O ATOM 0 H ASP A 79 -0.427 -10.940 -6.180 1.00 0.36 H new ATOM 0 HA ASP A 79 -1.312 -13.062 -7.869 1.00 0.41 H new ATOM 0 HB2 ASP A 79 0.546 -11.461 -8.373 1.00 0.48 H new ATOM 0 HB3 ASP A 79 1.494 -12.181 -7.087 1.00 0.48 H new ATOM 711 N SER A 80 -0.496 -13.873 -4.949 1.00 0.41 N ATOM 712 CA SER A 80 -0.287 -14.951 -4.000 1.00 0.46 C ATOM 713 C SER A 80 -1.613 -15.523 -3.504 1.00 0.42 C ATOM 714 O SER A 80 -1.631 -16.358 -2.599 1.00 0.46 O ATOM 715 CB SER A 80 0.538 -14.449 -2.817 1.00 0.52 C ATOM 716 OG SER A 80 1.832 -14.044 -3.232 1.00 1.49 O ATOM 0 H SER A 80 -0.796 -12.995 -4.526 1.00 0.41 H new ATOM 0 HA SER A 80 0.253 -15.749 -4.510 1.00 0.46 H new ATOM 0 HB2 SER A 80 0.026 -13.612 -2.342 1.00 0.52 H new ATOM 0 HB3 SER A 80 0.623 -15.237 -2.068 1.00 0.52 H new ATOM 0 HG SER A 80 2.339 -13.725 -2.457 1.00 1.49 H new ATOM 722 N ILE A 81 -2.724 -15.080 -4.094 1.00 0.38 N ATOM 723 CA ILE A 81 -4.036 -15.574 -3.687 1.00 0.38 C ATOM 724 C ILE A 81 -4.227 -17.026 -4.110 1.00 0.51 C ATOM 725 O ILE A 81 -4.603 -17.308 -5.247 1.00 1.39 O ATOM 726 CB ILE A 81 -5.206 -14.748 -4.276 1.00 0.29 C ATOM 727 CG1 ILE A 81 -5.158 -13.273 -3.848 1.00 0.33 C ATOM 728 CG2 ILE A 81 -6.543 -15.369 -3.869 1.00 0.40 C ATOM 729 CD1 ILE A 81 -4.663 -13.032 -2.439 1.00 0.56 C ATOM 0 H ILE A 81 -2.741 -14.390 -4.845 1.00 0.38 H new ATOM 0 HA ILE A 81 -4.057 -15.480 -2.601 1.00 0.38 H new ATOM 0 HB ILE A 81 -5.103 -14.772 -5.361 1.00 0.29 H new ATOM 0 HG12 ILE A 81 -4.515 -12.730 -4.541 1.00 0.33 H new ATOM 0 HG13 ILE A 81 -6.158 -12.850 -3.943 1.00 0.33 H new ATOM 0 HG21 ILE A 81 -7.360 -14.781 -4.288 1.00 0.40 H new ATOM 0 HG22 ILE A 81 -6.600 -16.390 -4.247 1.00 0.40 H new ATOM 0 HG23 ILE A 81 -6.624 -15.379 -2.782 1.00 0.40 H new ATOM 0 HD11 ILE A 81 -4.665 -11.962 -2.231 1.00 0.56 H new ATOM 0 HD12 ILE A 81 -5.317 -13.541 -1.731 1.00 0.56 H new ATOM 0 HD13 ILE A 81 -3.649 -13.419 -2.338 1.00 0.56 H new ATOM 741 N GLN A 82 -3.957 -17.942 -3.192 1.00 0.92 N ATOM 742 CA GLN A 82 -4.128 -19.354 -3.454 1.00 0.92 C ATOM 743 C GLN A 82 -5.599 -19.709 -3.284 1.00 0.93 C ATOM 744 O GLN A 82 -6.095 -20.669 -3.856 1.00 1.11 O ATOM 745 CB GLN A 82 -3.256 -20.163 -2.489 1.00 0.98 C ATOM 746 CG GLN A 82 -3.758 -21.571 -2.254 1.00 1.54 C ATOM 747 CD GLN A 82 -4.565 -21.706 -0.976 1.00 1.78 C ATOM 748 OE1 GLN A 82 -5.880 -21.534 -1.082 1.00 2.55 O flip ATOM 749 NE2 GLN A 82 -4.015 -21.966 0.095 1.00 1.43 N flip ATOM 0 H GLN A 82 -3.617 -17.726 -2.255 1.00 0.92 H new ATOM 0 HA GLN A 82 -3.821 -19.591 -4.472 1.00 0.92 H new ATOM 0 HB2 GLN A 82 -2.240 -20.209 -2.882 1.00 0.98 H new ATOM 0 HB3 GLN A 82 -3.205 -19.640 -1.534 1.00 0.98 H new ATOM 0 HG2 GLN A 82 -4.373 -21.878 -3.100 1.00 1.54 H new ATOM 0 HG3 GLN A 82 -2.908 -22.252 -2.214 1.00 1.54 H new ATOM 0 HE21 GLN A 82 -3.003 -22.090 0.132 1.00 1.43 H new ATOM 0 HE22 GLN A 82 -4.571 -22.057 0.945 1.00 1.43 H new ATOM 758 N GLN A 83 -6.260 -18.907 -2.461 1.00 0.85 N ATOM 759 CA GLN A 83 -7.673 -19.044 -2.150 1.00 0.93 C ATOM 760 C GLN A 83 -8.540 -19.474 -3.354 1.00 0.96 C ATOM 761 O GLN A 83 -9.438 -20.300 -3.194 1.00 1.85 O ATOM 762 CB GLN A 83 -8.146 -17.721 -1.559 1.00 0.93 C ATOM 763 CG GLN A 83 -8.098 -17.688 -0.042 1.00 1.39 C ATOM 764 CD GLN A 83 -9.119 -18.608 0.594 1.00 2.06 C ATOM 765 OE1 GLN A 83 -10.321 -18.089 0.815 1.00 2.56 O flip ATOM 766 NE2 GLN A 83 -8.835 -19.771 0.878 1.00 2.55 N flip ATOM 0 H GLN A 83 -5.816 -18.124 -1.980 1.00 0.85 H new ATOM 0 HA GLN A 83 -7.792 -19.855 -1.432 1.00 0.93 H new ATOM 0 HB2 GLN A 83 -7.528 -16.914 -1.952 1.00 0.93 H new ATOM 0 HB3 GLN A 83 -9.168 -17.529 -1.887 1.00 0.93 H new ATOM 0 HG2 GLN A 83 -7.100 -17.972 0.292 1.00 1.39 H new ATOM 0 HG3 GLN A 83 -8.270 -16.668 0.301 1.00 1.39 H new ATOM 0 HE21 GLN A 83 -7.898 -20.128 0.690 1.00 2.55 H new ATOM 0 HE22 GLN A 83 -9.537 -20.379 1.301 1.00 2.55 H new ATOM 775 N MET A 84 -8.277 -18.904 -4.540 1.00 0.95 N ATOM 776 CA MET A 84 -9.011 -19.246 -5.785 1.00 0.91 C ATOM 777 C MET A 84 -10.349 -18.521 -5.933 1.00 0.86 C ATOM 778 O MET A 84 -10.429 -17.467 -6.560 1.00 0.93 O ATOM 779 CB MET A 84 -9.263 -20.747 -5.901 1.00 1.14 C ATOM 780 CG MET A 84 -8.015 -21.570 -5.744 1.00 1.34 C ATOM 781 SD MET A 84 -6.704 -21.081 -6.882 1.00 1.97 S ATOM 782 CE MET A 84 -5.445 -22.290 -6.479 1.00 2.71 C ATOM 0 H MET A 84 -7.555 -18.196 -4.671 1.00 0.95 H new ATOM 0 HA MET A 84 -8.353 -18.910 -6.587 1.00 0.91 H new ATOM 0 HB2 MET A 84 -9.986 -21.047 -5.143 1.00 1.14 H new ATOM 0 HB3 MET A 84 -9.711 -20.960 -6.871 1.00 1.14 H new ATOM 0 HG2 MET A 84 -7.653 -21.480 -4.720 1.00 1.34 H new ATOM 0 HG3 MET A 84 -8.256 -22.621 -5.905 1.00 1.34 H new ATOM 0 HE1 MET A 84 -4.459 -21.842 -6.599 1.00 2.71 H new ATOM 0 HE2 MET A 84 -5.572 -22.617 -5.447 1.00 2.71 H new ATOM 0 HE3 MET A 84 -5.538 -23.148 -7.145 1.00 2.71 H new ATOM 792 N ARG A 85 -11.410 -19.110 -5.386 1.00 0.91 N ATOM 793 CA ARG A 85 -12.747 -18.524 -5.482 1.00 0.92 C ATOM 794 C ARG A 85 -12.872 -17.285 -4.606 1.00 0.87 C ATOM 795 O ARG A 85 -13.953 -16.967 -4.108 1.00 1.16 O ATOM 796 CB ARG A 85 -13.805 -19.554 -5.086 1.00 1.03 C ATOM 797 CG ARG A 85 -13.592 -20.145 -3.703 1.00 1.44 C ATOM 798 CD ARG A 85 -14.604 -21.239 -3.404 1.00 1.51 C ATOM 799 NE ARG A 85 -14.574 -22.298 -4.408 1.00 1.72 N ATOM 800 CZ ARG A 85 -15.253 -23.436 -4.301 1.00 1.89 C ATOM 801 NH1 ARG A 85 -16.011 -23.664 -3.237 1.00 1.65 N ATOM 802 NH2 ARG A 85 -15.175 -24.348 -5.260 1.00 2.78 N ATOM 0 H ARG A 85 -11.371 -19.991 -4.873 1.00 0.91 H new ATOM 0 HA ARG A 85 -12.908 -18.224 -6.518 1.00 0.92 H new ATOM 0 HB2 ARG A 85 -14.788 -19.085 -5.124 1.00 1.03 H new ATOM 0 HB3 ARG A 85 -13.808 -20.360 -5.820 1.00 1.03 H new ATOM 0 HG2 ARG A 85 -12.583 -20.551 -3.631 1.00 1.44 H new ATOM 0 HG3 ARG A 85 -13.673 -19.358 -2.953 1.00 1.44 H new ATOM 0 HD2 ARG A 85 -14.399 -21.664 -2.422 1.00 1.51 H new ATOM 0 HD3 ARG A 85 -15.604 -20.807 -3.362 1.00 1.51 H new ATOM 0 HE ARG A 85 -13.999 -22.157 -5.239 1.00 1.72 H new ATOM 0 HH11 ARG A 85 -16.075 -22.965 -2.497 1.00 1.65 H new ATOM 0 HH12 ARG A 85 -16.530 -24.538 -3.159 1.00 1.65 H new ATOM 0 HH21 ARG A 85 -14.594 -24.177 -6.081 1.00 2.78 H new ATOM 0 HH22 ARG A 85 -15.696 -25.221 -5.177 1.00 2.78 H new ATOM 816 N ASN A 86 -11.757 -16.591 -4.422 1.00 0.63 N ATOM 817 CA ASN A 86 -11.730 -15.388 -3.597 1.00 0.62 C ATOM 818 C ASN A 86 -10.874 -14.308 -4.244 1.00 0.53 C ATOM 819 O ASN A 86 -11.044 -13.121 -3.966 1.00 0.53 O ATOM 820 CB ASN A 86 -11.187 -15.737 -2.216 1.00 0.78 C ATOM 821 CG ASN A 86 -11.465 -17.181 -1.863 1.00 1.65 C ATOM 822 OD1 ASN A 86 -10.809 -18.084 -2.580 1.00 2.49 O flip ATOM 823 ND2 ASN A 86 -12.264 -17.480 -0.977 1.00 1.68 N flip ATOM 0 H ASN A 86 -10.857 -16.840 -4.833 1.00 0.63 H new ATOM 0 HA ASN A 86 -12.744 -15.000 -3.502 1.00 0.62 H new ATOM 0 HB2 ASN A 86 -10.113 -15.554 -2.189 1.00 0.78 H new ATOM 0 HB3 ASN A 86 -11.640 -15.085 -1.470 1.00 0.78 H new ATOM 0 HD21 ASN A 86 -12.743 -16.747 -0.454 1.00 1.68 H new ATOM 0 HD22 ASN A 86 -12.447 -18.461 -0.765 1.00 1.68 H new ATOM 830 N LYS A 87 -9.943 -14.737 -5.097 1.00 0.53 N ATOM 831 CA LYS A 87 -9.060 -13.830 -5.807 1.00 0.56 C ATOM 832 C LYS A 87 -9.804 -12.581 -6.253 1.00 0.45 C ATOM 833 O LYS A 87 -9.416 -11.467 -5.926 1.00 0.40 O ATOM 834 CB LYS A 87 -8.481 -14.529 -7.035 1.00 0.71 C ATOM 835 CG LYS A 87 -8.096 -15.984 -6.816 1.00 1.06 C ATOM 836 CD LYS A 87 -6.656 -16.233 -7.166 1.00 1.59 C ATOM 837 CE LYS A 87 -6.374 -15.984 -8.640 1.00 1.84 C ATOM 838 NZ LYS A 87 -4.954 -16.263 -8.989 1.00 2.28 N ATOM 0 H LYS A 87 -9.785 -15.722 -5.310 1.00 0.53 H new ATOM 0 HA LYS A 87 -8.258 -13.538 -5.128 1.00 0.56 H new ATOM 0 HB2 LYS A 87 -9.211 -14.478 -7.843 1.00 0.71 H new ATOM 0 HB3 LYS A 87 -7.600 -13.980 -7.367 1.00 0.71 H new ATOM 0 HG2 LYS A 87 -8.270 -16.254 -5.775 1.00 1.06 H new ATOM 0 HG3 LYS A 87 -8.735 -16.626 -7.423 1.00 1.06 H new ATOM 0 HD2 LYS A 87 -6.020 -15.587 -6.561 1.00 1.59 H new ATOM 0 HD3 LYS A 87 -6.395 -17.261 -6.916 1.00 1.59 H new ATOM 0 HE2 LYS A 87 -7.027 -16.613 -9.246 1.00 1.84 H new ATOM 0 HE3 LYS A 87 -6.611 -14.949 -8.885 1.00 1.84 H new ATOM 0 HZ1 LYS A 87 -4.803 -16.081 -10.002 1.00 2.28 H new ATOM 0 HZ2 LYS A 87 -4.331 -15.645 -8.430 1.00 2.28 H new ATOM 0 HZ3 LYS A 87 -4.734 -17.258 -8.779 1.00 2.28 H new ATOM 852 N PHE A 88 -10.894 -12.793 -6.975 1.00 0.43 N ATOM 853 CA PHE A 88 -11.704 -11.694 -7.493 1.00 0.38 C ATOM 854 C PHE A 88 -12.153 -10.756 -6.375 1.00 0.31 C ATOM 855 O PHE A 88 -12.017 -9.542 -6.493 1.00 0.29 O ATOM 856 CB PHE A 88 -12.923 -12.242 -8.235 1.00 0.41 C ATOM 857 CG PHE A 88 -12.570 -13.110 -9.409 1.00 1.01 C ATOM 858 CD1 PHE A 88 -12.350 -14.468 -9.241 1.00 1.34 C ATOM 859 CD2 PHE A 88 -12.454 -12.567 -10.678 1.00 1.44 C ATOM 860 CE1 PHE A 88 -12.023 -15.269 -10.319 1.00 2.07 C ATOM 861 CE2 PHE A 88 -12.127 -13.363 -11.760 1.00 2.19 C ATOM 862 CZ PHE A 88 -11.910 -14.716 -11.580 1.00 2.49 C ATOM 0 H PHE A 88 -11.242 -13.721 -7.218 1.00 0.43 H new ATOM 0 HA PHE A 88 -11.086 -11.122 -8.185 1.00 0.38 H new ATOM 0 HB2 PHE A 88 -13.534 -12.817 -7.539 1.00 0.41 H new ATOM 0 HB3 PHE A 88 -13.533 -11.408 -8.581 1.00 0.41 H new ATOM 0 HD1 PHE A 88 -12.435 -14.905 -8.257 1.00 1.34 H new ATOM 0 HD2 PHE A 88 -12.621 -11.510 -10.824 1.00 1.44 H new ATOM 0 HE1 PHE A 88 -11.856 -16.326 -10.176 1.00 2.07 H new ATOM 0 HE2 PHE A 88 -12.041 -12.928 -12.745 1.00 2.19 H new ATOM 0 HZ PHE A 88 -11.653 -15.340 -12.423 1.00 2.49 H new ATOM 872 N ALA A 89 -12.694 -11.320 -5.300 1.00 0.31 N ATOM 873 CA ALA A 89 -13.157 -10.525 -4.164 1.00 0.29 C ATOM 874 C ALA A 89 -12.123 -9.478 -3.740 1.00 0.26 C ATOM 875 O ALA A 89 -12.333 -8.278 -3.915 1.00 0.27 O ATOM 876 CB ALA A 89 -13.497 -11.435 -2.993 1.00 0.35 C ATOM 0 H ALA A 89 -12.823 -12.326 -5.190 1.00 0.31 H new ATOM 0 HA ALA A 89 -14.053 -9.990 -4.478 1.00 0.29 H new ATOM 0 HB1 ALA A 89 -13.841 -10.833 -2.152 1.00 0.35 H new ATOM 0 HB2 ALA A 89 -14.284 -12.129 -3.288 1.00 0.35 H new ATOM 0 HB3 ALA A 89 -12.610 -11.996 -2.699 1.00 0.35 H new ATOM 882 N PHE A 90 -11.012 -9.941 -3.177 1.00 0.24 N ATOM 883 CA PHE A 90 -9.942 -9.056 -2.721 1.00 0.24 C ATOM 884 C PHE A 90 -9.362 -8.217 -3.860 1.00 0.21 C ATOM 885 O PHE A 90 -9.161 -7.016 -3.703 1.00 0.22 O ATOM 886 CB PHE A 90 -8.827 -9.881 -2.075 1.00 0.26 C ATOM 887 CG PHE A 90 -7.787 -9.048 -1.382 1.00 0.23 C ATOM 888 CD1 PHE A 90 -6.772 -8.444 -2.105 1.00 0.27 C ATOM 889 CD2 PHE A 90 -7.826 -8.865 -0.009 1.00 0.28 C ATOM 890 CE1 PHE A 90 -5.816 -7.673 -1.475 1.00 0.28 C ATOM 891 CE2 PHE A 90 -6.871 -8.095 0.627 1.00 0.27 C ATOM 892 CZ PHE A 90 -5.865 -7.498 -0.107 1.00 0.23 C ATOM 0 H PHE A 90 -10.827 -10.932 -3.024 1.00 0.24 H new ATOM 0 HA PHE A 90 -10.374 -8.371 -1.991 1.00 0.24 H new ATOM 0 HB2 PHE A 90 -9.267 -10.570 -1.355 1.00 0.26 H new ATOM 0 HB3 PHE A 90 -8.344 -10.487 -2.842 1.00 0.26 H new ATOM 0 HD1 PHE A 90 -6.728 -8.578 -3.176 1.00 0.27 H new ATOM 0 HD2 PHE A 90 -8.611 -9.329 0.570 1.00 0.28 H new ATOM 0 HE1 PHE A 90 -5.031 -7.207 -2.052 1.00 0.28 H new ATOM 0 HE2 PHE A 90 -6.911 -7.960 1.698 1.00 0.27 H new ATOM 0 HZ PHE A 90 -5.118 -6.895 0.389 1.00 0.23 H new ATOM 902 N ARG A 91 -9.113 -8.850 -5.004 1.00 0.19 N ATOM 903 CA ARG A 91 -8.523 -8.161 -6.157 1.00 0.21 C ATOM 904 C ARG A 91 -9.343 -6.933 -6.552 1.00 0.20 C ATOM 905 O ARG A 91 -8.848 -5.808 -6.504 1.00 0.19 O ATOM 906 CB ARG A 91 -8.408 -9.121 -7.350 1.00 0.25 C ATOM 907 CG ARG A 91 -7.143 -8.978 -8.183 1.00 0.34 C ATOM 908 CD ARG A 91 -6.740 -7.530 -8.360 1.00 1.15 C ATOM 909 NE ARG A 91 -5.427 -7.400 -8.987 1.00 1.75 N ATOM 910 CZ ARG A 91 -4.827 -6.234 -9.212 1.00 2.52 C ATOM 911 NH1 ARG A 91 -5.421 -5.099 -8.869 1.00 2.91 N ATOM 912 NH2 ARG A 91 -3.630 -6.204 -9.782 1.00 3.34 N ATOM 0 H ARG A 91 -9.309 -9.839 -5.161 1.00 0.19 H new ATOM 0 HA ARG A 91 -7.527 -7.825 -5.869 1.00 0.21 H new ATOM 0 HB2 ARG A 91 -8.464 -10.144 -6.978 1.00 0.25 H new ATOM 0 HB3 ARG A 91 -9.270 -8.970 -8.000 1.00 0.25 H new ATOM 0 HG2 ARG A 91 -6.330 -9.524 -7.704 1.00 0.34 H new ATOM 0 HG3 ARG A 91 -7.300 -9.433 -9.161 1.00 0.34 H new ATOM 0 HD2 ARG A 91 -7.485 -7.018 -8.969 1.00 1.15 H new ATOM 0 HD3 ARG A 91 -6.728 -7.036 -7.389 1.00 1.15 H new ATOM 0 HE ARG A 91 -4.942 -8.252 -9.269 1.00 1.75 H new ATOM 0 HH11 ARG A 91 -6.342 -5.117 -8.431 1.00 2.91 H new ATOM 0 HH12 ARG A 91 -4.957 -4.208 -9.044 1.00 2.91 H new ATOM 0 HH21 ARG A 91 -3.170 -7.075 -10.048 1.00 3.34 H new ATOM 0 HH22 ARG A 91 -3.170 -5.310 -9.955 1.00 3.34 H new ATOM 926 N GLU A 92 -10.590 -7.161 -6.956 1.00 0.25 N ATOM 927 CA GLU A 92 -11.474 -6.067 -7.350 1.00 0.27 C ATOM 928 C GLU A 92 -11.490 -4.987 -6.272 1.00 0.26 C ATOM 929 O GLU A 92 -11.561 -3.799 -6.576 1.00 0.25 O ATOM 930 CB GLU A 92 -12.895 -6.579 -7.620 1.00 0.32 C ATOM 931 CG GLU A 92 -13.649 -7.000 -6.369 1.00 1.17 C ATOM 932 CD GLU A 92 -15.038 -7.525 -6.677 1.00 1.97 C ATOM 933 OE1 GLU A 92 -15.986 -6.712 -6.702 1.00 2.25 O ATOM 934 OE2 GLU A 92 -15.177 -8.747 -6.893 1.00 2.58 O ATOM 0 H GLU A 92 -11.010 -8.088 -7.019 1.00 0.25 H new ATOM 0 HA GLU A 92 -11.091 -5.634 -8.274 1.00 0.27 H new ATOM 0 HB2 GLU A 92 -13.461 -5.798 -8.127 1.00 0.32 H new ATOM 0 HB3 GLU A 92 -12.841 -7.428 -8.302 1.00 0.32 H new ATOM 0 HG2 GLU A 92 -13.080 -7.770 -5.848 1.00 1.17 H new ATOM 0 HG3 GLU A 92 -13.728 -6.149 -5.692 1.00 1.17 H new ATOM 941 N ALA A 93 -11.431 -5.405 -5.008 1.00 0.26 N ATOM 942 CA ALA A 93 -11.407 -4.455 -3.903 1.00 0.26 C ATOM 943 C ALA A 93 -10.201 -3.535 -4.039 1.00 0.23 C ATOM 944 O ALA A 93 -10.285 -2.331 -3.782 1.00 0.22 O ATOM 945 CB ALA A 93 -11.377 -5.185 -2.569 1.00 0.29 C ATOM 0 H ALA A 93 -11.399 -6.385 -4.728 1.00 0.26 H new ATOM 0 HA ALA A 93 -12.315 -3.853 -3.937 1.00 0.26 H new ATOM 0 HB1 ALA A 93 -11.359 -4.458 -1.757 1.00 0.29 H new ATOM 0 HB2 ALA A 93 -12.265 -5.811 -2.477 1.00 0.29 H new ATOM 0 HB3 ALA A 93 -10.485 -5.810 -2.516 1.00 0.29 H new ATOM 951 N ILE A 94 -9.078 -4.116 -4.453 1.00 0.21 N ATOM 952 CA ILE A 94 -7.857 -3.351 -4.653 1.00 0.20 C ATOM 953 C ILE A 94 -8.078 -2.327 -5.751 1.00 0.19 C ATOM 954 O ILE A 94 -7.604 -1.193 -5.677 1.00 0.20 O ATOM 955 CB ILE A 94 -6.671 -4.241 -5.066 1.00 0.20 C ATOM 956 CG1 ILE A 94 -6.636 -5.535 -4.256 1.00 0.23 C ATOM 957 CG2 ILE A 94 -5.379 -3.475 -4.889 1.00 0.22 C ATOM 958 CD1 ILE A 94 -5.498 -6.454 -4.648 1.00 0.24 C ATOM 0 H ILE A 94 -8.991 -5.112 -4.655 1.00 0.21 H new ATOM 0 HA ILE A 94 -7.618 -2.873 -3.703 1.00 0.20 H new ATOM 0 HB ILE A 94 -6.793 -4.513 -6.115 1.00 0.20 H new ATOM 0 HG12 ILE A 94 -6.549 -5.291 -3.197 1.00 0.23 H new ATOM 0 HG13 ILE A 94 -7.581 -6.062 -4.385 1.00 0.23 H new ATOM 0 HG21 ILE A 94 -4.539 -4.105 -5.181 1.00 0.22 H new ATOM 0 HG22 ILE A 94 -5.397 -2.582 -5.514 1.00 0.22 H new ATOM 0 HG23 ILE A 94 -5.268 -3.185 -3.844 1.00 0.22 H new ATOM 0 HD11 ILE A 94 -5.530 -7.355 -4.035 1.00 0.24 H new ATOM 0 HD12 ILE A 94 -5.596 -6.726 -5.699 1.00 0.24 H new ATOM 0 HD13 ILE A 94 -4.548 -5.943 -4.493 1.00 0.24 H new ATOM 970 N ASN A 95 -8.809 -2.754 -6.772 1.00 0.20 N ATOM 971 CA ASN A 95 -9.132 -1.908 -7.908 1.00 0.21 C ATOM 972 C ASN A 95 -9.859 -0.652 -7.435 1.00 0.21 C ATOM 973 O ASN A 95 -9.573 0.452 -7.896 1.00 0.25 O ATOM 974 CB ASN A 95 -9.993 -2.705 -8.896 1.00 0.23 C ATOM 975 CG ASN A 95 -11.229 -1.956 -9.341 1.00 0.26 C ATOM 976 OD1 ASN A 95 -12.183 -1.834 -8.431 1.00 0.33 O flip ATOM 977 ND2 ASN A 95 -11.316 -1.480 -10.473 1.00 0.24 N flip ATOM 0 H ASN A 95 -9.194 -3.697 -6.834 1.00 0.20 H new ATOM 0 HA ASN A 95 -8.217 -1.595 -8.411 1.00 0.21 H new ATOM 0 HB2 ASN A 95 -9.393 -2.957 -9.771 1.00 0.23 H new ATOM 0 HB3 ASN A 95 -10.292 -3.645 -8.433 1.00 0.23 H new ATOM 0 HD21 ASN A 95 -10.552 -1.602 -11.138 1.00 0.24 H new ATOM 0 HD22 ASN A 95 -12.152 -0.963 -10.746 1.00 0.24 H new ATOM 984 N LYS A 96 -10.809 -0.829 -6.517 1.00 0.20 N ATOM 985 CA LYS A 96 -11.562 0.290 -5.972 1.00 0.20 C ATOM 986 C LYS A 96 -10.616 1.318 -5.369 1.00 0.19 C ATOM 987 O LYS A 96 -10.701 2.509 -5.670 1.00 0.20 O ATOM 988 CB LYS A 96 -12.541 -0.216 -4.910 1.00 0.24 C ATOM 989 CG LYS A 96 -14.008 0.088 -5.190 1.00 0.34 C ATOM 990 CD LYS A 96 -14.264 0.412 -6.649 1.00 0.76 C ATOM 991 CE LYS A 96 -15.697 0.156 -7.026 1.00 0.75 C ATOM 992 NZ LYS A 96 -16.035 0.724 -8.360 1.00 1.64 N ATOM 0 H LYS A 96 -11.072 -1.739 -6.138 1.00 0.20 H new ATOM 0 HA LYS A 96 -12.123 0.767 -6.776 1.00 0.20 H new ATOM 0 HB2 LYS A 96 -12.421 -1.295 -4.812 1.00 0.24 H new ATOM 0 HB3 LYS A 96 -12.271 0.223 -3.950 1.00 0.24 H new ATOM 0 HG2 LYS A 96 -14.616 -0.769 -4.899 1.00 0.34 H new ATOM 0 HG3 LYS A 96 -14.326 0.928 -4.573 1.00 0.34 H new ATOM 0 HD2 LYS A 96 -14.017 1.456 -6.840 1.00 0.76 H new ATOM 0 HD3 LYS A 96 -13.608 -0.190 -7.277 1.00 0.76 H new ATOM 0 HE2 LYS A 96 -15.884 -0.918 -7.032 1.00 0.75 H new ATOM 0 HE3 LYS A 96 -16.353 0.589 -6.271 1.00 0.75 H new ATOM 0 HZ1 LYS A 96 -17.032 0.525 -8.580 1.00 1.64 H new ATOM 0 HZ2 LYS A 96 -15.882 1.753 -8.348 1.00 1.64 H new ATOM 0 HZ3 LYS A 96 -15.427 0.292 -9.085 1.00 1.64 H new ATOM 1006 N LEU A 97 -9.710 0.843 -4.519 1.00 0.21 N ATOM 1007 CA LEU A 97 -8.726 1.713 -3.890 1.00 0.22 C ATOM 1008 C LEU A 97 -7.958 2.477 -4.956 1.00 0.21 C ATOM 1009 O LEU A 97 -7.730 3.669 -4.829 1.00 0.25 O ATOM 1010 CB LEU A 97 -7.758 0.888 -3.034 1.00 0.25 C ATOM 1011 CG LEU A 97 -6.321 1.420 -2.951 1.00 0.38 C ATOM 1012 CD1 LEU A 97 -6.176 2.420 -1.820 1.00 0.52 C ATOM 1013 CD2 LEU A 97 -5.351 0.269 -2.763 1.00 0.62 C ATOM 0 H LEU A 97 -9.638 -0.139 -4.251 1.00 0.21 H new ATOM 0 HA LEU A 97 -9.243 2.423 -3.245 1.00 0.22 H new ATOM 0 HB2 LEU A 97 -8.161 0.824 -2.023 1.00 0.25 H new ATOM 0 HB3 LEU A 97 -7.727 -0.127 -3.430 1.00 0.25 H new ATOM 0 HG LEU A 97 -6.090 1.931 -3.886 1.00 0.38 H new ATOM 0 HD11 LEU A 97 -5.148 2.781 -1.783 1.00 0.52 H new ATOM 0 HD12 LEU A 97 -6.850 3.260 -1.988 1.00 0.52 H new ATOM 0 HD13 LEU A 97 -6.425 1.938 -0.874 1.00 0.52 H new ATOM 0 HD21 LEU A 97 -4.334 0.656 -2.705 1.00 0.62 H new ATOM 0 HD22 LEU A 97 -5.590 -0.262 -1.841 1.00 0.62 H new ATOM 0 HD23 LEU A 97 -5.431 -0.416 -3.607 1.00 0.62 H new ATOM 1025 N GLU A 98 -7.612 1.771 -6.026 1.00 0.18 N ATOM 1026 CA GLU A 98 -6.857 2.341 -7.136 1.00 0.19 C ATOM 1027 C GLU A 98 -7.580 3.546 -7.722 1.00 0.17 C ATOM 1028 O GLU A 98 -7.050 4.657 -7.730 1.00 0.20 O ATOM 1029 CB GLU A 98 -6.657 1.282 -8.215 1.00 0.21 C ATOM 1030 CG GLU A 98 -5.928 1.785 -9.445 1.00 0.27 C ATOM 1031 CD GLU A 98 -4.690 2.595 -9.113 1.00 0.88 C ATOM 1032 OE1 GLU A 98 -3.604 1.993 -8.985 1.00 1.87 O ATOM 1033 OE2 GLU A 98 -4.805 3.831 -8.983 1.00 0.96 O ATOM 0 H GLU A 98 -7.847 0.786 -6.149 1.00 0.18 H new ATOM 0 HA GLU A 98 -5.888 2.672 -6.763 1.00 0.19 H new ATOM 0 HB2 GLU A 98 -6.099 0.447 -7.791 1.00 0.21 H new ATOM 0 HB3 GLU A 98 -7.631 0.895 -8.515 1.00 0.21 H new ATOM 0 HG2 GLU A 98 -5.643 0.934 -10.064 1.00 0.27 H new ATOM 0 HG3 GLU A 98 -6.608 2.397 -10.038 1.00 0.27 H new ATOM 1040 N ASN A 99 -8.797 3.320 -8.207 1.00 0.16 N ATOM 1041 CA ASN A 99 -9.603 4.386 -8.786 1.00 0.17 C ATOM 1042 C ASN A 99 -9.996 5.389 -7.714 1.00 0.21 C ATOM 1043 O ASN A 99 -10.531 6.456 -8.017 1.00 0.44 O ATOM 1044 CB ASN A 99 -10.852 3.817 -9.461 1.00 0.22 C ATOM 1045 CG ASN A 99 -10.515 2.922 -10.639 1.00 1.00 C ATOM 1046 OD1 ASN A 99 -10.377 3.389 -11.769 1.00 2.12 O ATOM 1047 ND2 ASN A 99 -10.384 1.626 -10.378 1.00 0.62 N ATOM 0 H ASN A 99 -9.247 2.404 -8.210 1.00 0.16 H new ATOM 0 HA ASN A 99 -9.006 4.894 -9.543 1.00 0.17 H new ATOM 0 HB2 ASN A 99 -11.430 3.250 -8.731 1.00 0.22 H new ATOM 0 HB3 ASN A 99 -11.484 4.638 -9.801 1.00 0.22 H new ATOM 0 HD21 ASN A 99 -10.160 0.974 -11.130 1.00 0.62 H new ATOM 0 HD22 ASN A 99 -10.507 1.283 -9.425 1.00 0.62 H new ATOM 1054 N ASN A 100 -9.727 5.045 -6.455 1.00 0.17 N ATOM 1055 CA ASN A 100 -10.034 5.935 -5.356 1.00 0.16 C ATOM 1056 C ASN A 100 -8.866 6.895 -5.205 1.00 0.16 C ATOM 1057 O ASN A 100 -9.049 8.077 -4.917 1.00 0.21 O ATOM 1058 CB ASN A 100 -10.279 5.150 -4.065 1.00 0.19 C ATOM 1059 CG ASN A 100 -9.828 5.908 -2.839 1.00 0.18 C ATOM 1060 OD1 ASN A 100 -8.561 5.754 -2.500 1.00 0.26 O flip ATOM 1061 ND2 ASN A 100 -10.608 6.625 -2.211 1.00 0.21 N flip ATOM 0 H ASN A 100 -9.300 4.160 -6.180 1.00 0.17 H new ATOM 0 HA ASN A 100 -10.950 6.489 -5.561 1.00 0.16 H new ATOM 0 HB2 ASN A 100 -11.341 4.921 -3.978 1.00 0.19 H new ATOM 0 HB3 ASN A 100 -9.751 4.198 -4.116 1.00 0.19 H new ATOM 0 HD21 ASN A 100 -11.578 6.711 -2.514 1.00 0.21 H new ATOM 0 HD22 ASN A 100 -10.284 7.133 -1.388 1.00 0.21 H new ATOM 1068 N LEU A 101 -7.654 6.366 -5.408 1.00 0.19 N ATOM 1069 CA LEU A 101 -6.451 7.176 -5.359 1.00 0.25 C ATOM 1070 C LEU A 101 -6.490 8.121 -6.549 1.00 0.23 C ATOM 1071 O LEU A 101 -6.133 9.293 -6.457 1.00 0.25 O ATOM 1072 CB LEU A 101 -5.184 6.299 -5.429 1.00 0.32 C ATOM 1073 CG LEU A 101 -5.229 4.974 -4.647 1.00 0.42 C ATOM 1074 CD1 LEU A 101 -3.875 4.299 -4.640 1.00 0.32 C ATOM 1075 CD2 LEU A 101 -5.699 5.191 -3.228 1.00 0.58 C ATOM 0 H LEU A 101 -7.490 5.379 -5.607 1.00 0.19 H new ATOM 0 HA LEU A 101 -6.415 7.727 -4.419 1.00 0.25 H new ATOM 0 HB2 LEU A 101 -4.982 6.072 -6.476 1.00 0.32 H new ATOM 0 HB3 LEU A 101 -4.341 6.885 -5.062 1.00 0.32 H new ATOM 0 HG LEU A 101 -5.942 4.324 -5.154 1.00 0.42 H new ATOM 0 HD11 LEU A 101 -3.937 3.366 -4.081 1.00 0.32 H new ATOM 0 HD12 LEU A 101 -3.568 4.088 -5.664 1.00 0.32 H new ATOM 0 HD13 LEU A 101 -3.143 4.956 -4.170 1.00 0.32 H new ATOM 0 HD21 LEU A 101 -5.720 4.237 -2.702 1.00 0.58 H new ATOM 0 HD22 LEU A 101 -5.016 5.871 -2.719 1.00 0.58 H new ATOM 0 HD23 LEU A 101 -6.700 5.622 -3.238 1.00 0.58 H new ATOM 1087 N ARG A 102 -6.947 7.570 -7.671 1.00 0.22 N ATOM 1088 CA ARG A 102 -7.085 8.312 -8.915 1.00 0.23 C ATOM 1089 C ARG A 102 -7.960 9.544 -8.713 1.00 0.24 C ATOM 1090 O ARG A 102 -7.564 10.651 -9.065 1.00 0.34 O ATOM 1091 CB ARG A 102 -7.692 7.401 -9.987 1.00 0.25 C ATOM 1092 CG ARG A 102 -6.764 6.284 -10.435 1.00 0.29 C ATOM 1093 CD ARG A 102 -7.332 5.527 -11.625 1.00 0.38 C ATOM 1094 NE ARG A 102 -6.408 4.510 -12.117 1.00 0.97 N ATOM 1095 CZ ARG A 102 -6.352 4.114 -13.385 1.00 1.26 C ATOM 1096 NH1 ARG A 102 -7.167 4.646 -14.287 1.00 1.25 N ATOM 1097 NH2 ARG A 102 -5.481 3.185 -13.752 1.00 2.09 N ATOM 0 H ARG A 102 -7.232 6.593 -7.740 1.00 0.22 H new ATOM 0 HA ARG A 102 -6.099 8.646 -9.239 1.00 0.23 H new ATOM 0 HB2 ARG A 102 -8.613 6.964 -9.601 1.00 0.25 H new ATOM 0 HB3 ARG A 102 -7.964 8.005 -10.853 1.00 0.25 H new ATOM 0 HG2 ARG A 102 -5.792 6.701 -10.699 1.00 0.29 H new ATOM 0 HG3 ARG A 102 -6.600 5.593 -9.608 1.00 0.29 H new ATOM 0 HD2 ARG A 102 -8.272 5.055 -11.339 1.00 0.38 H new ATOM 0 HD3 ARG A 102 -7.559 6.229 -12.427 1.00 0.38 H new ATOM 0 HE ARG A 102 -5.769 4.078 -11.450 1.00 0.97 H new ATOM 0 HH11 ARG A 102 -7.839 5.361 -14.008 1.00 1.25 H new ATOM 0 HH12 ARG A 102 -7.121 4.340 -15.259 1.00 1.25 H new ATOM 0 HH21 ARG A 102 -4.853 2.773 -13.062 1.00 2.09 H new ATOM 0 HH22 ARG A 102 -5.439 2.882 -14.725 1.00 2.09 H new ATOM 1111 N GLU A 103 -9.160 9.357 -8.175 1.00 0.24 N ATOM 1112 CA GLU A 103 -10.044 10.484 -7.918 1.00 0.24 C ATOM 1113 C GLU A 103 -9.473 11.339 -6.793 1.00 0.24 C ATOM 1114 O GLU A 103 -9.773 12.529 -6.683 1.00 0.25 O ATOM 1115 CB GLU A 103 -11.445 9.992 -7.551 1.00 0.26 C ATOM 1116 CG GLU A 103 -12.469 11.108 -7.429 1.00 0.34 C ATOM 1117 CD GLU A 103 -13.843 10.598 -7.041 1.00 1.36 C ATOM 1118 OE1 GLU A 103 -14.580 10.136 -7.937 1.00 1.82 O ATOM 1119 OE2 GLU A 103 -14.181 10.659 -5.840 1.00 2.32 O ATOM 0 H GLU A 103 -9.538 8.447 -7.912 1.00 0.24 H new ATOM 0 HA GLU A 103 -10.119 11.088 -8.822 1.00 0.24 H new ATOM 0 HB2 GLU A 103 -11.781 9.283 -8.307 1.00 0.26 H new ATOM 0 HB3 GLU A 103 -11.395 9.451 -6.606 1.00 0.26 H new ATOM 0 HG2 GLU A 103 -12.129 11.828 -6.685 1.00 0.34 H new ATOM 0 HG3 GLU A 103 -12.537 11.639 -8.378 1.00 0.34 H new ATOM 1126 N LEU A 104 -8.646 10.714 -5.958 1.00 0.24 N ATOM 1127 CA LEU A 104 -8.011 11.395 -4.840 1.00 0.25 C ATOM 1128 C LEU A 104 -6.864 12.268 -5.334 1.00 0.29 C ATOM 1129 O LEU A 104 -6.395 13.159 -4.625 1.00 0.31 O ATOM 1130 CB LEU A 104 -7.499 10.358 -3.846 1.00 0.24 C ATOM 1131 CG LEU A 104 -6.922 10.909 -2.555 1.00 0.24 C ATOM 1132 CD1 LEU A 104 -8.014 11.548 -1.735 1.00 0.29 C ATOM 1133 CD2 LEU A 104 -6.244 9.797 -1.778 1.00 0.24 C ATOM 0 H LEU A 104 -8.400 9.727 -6.039 1.00 0.24 H new ATOM 0 HA LEU A 104 -8.740 12.038 -4.347 1.00 0.25 H new ATOM 0 HB2 LEU A 104 -8.319 9.685 -3.597 1.00 0.24 H new ATOM 0 HB3 LEU A 104 -6.733 9.758 -4.338 1.00 0.24 H new ATOM 0 HG LEU A 104 -6.178 11.670 -2.788 1.00 0.24 H new ATOM 0 HD11 LEU A 104 -7.592 11.941 -0.810 1.00 0.29 H new ATOM 0 HD12 LEU A 104 -8.466 12.362 -2.302 1.00 0.29 H new ATOM 0 HD13 LEU A 104 -8.775 10.804 -1.499 1.00 0.29 H new ATOM 0 HD21 LEU A 104 -5.832 10.199 -0.852 1.00 0.24 H new ATOM 0 HD22 LEU A 104 -6.972 9.020 -1.544 1.00 0.24 H new ATOM 0 HD23 LEU A 104 -5.440 9.371 -2.378 1.00 0.24 H new ATOM 1145 N GLN A 105 -6.415 11.993 -6.556 1.00 0.40 N ATOM 1146 CA GLN A 105 -5.331 12.750 -7.178 1.00 0.51 C ATOM 1147 C GLN A 105 -5.614 14.243 -7.100 1.00 0.45 C ATOM 1148 O GLN A 105 -6.735 14.650 -6.791 1.00 1.00 O ATOM 1149 CB GLN A 105 -5.164 12.327 -8.642 1.00 0.86 C ATOM 1150 CG GLN A 105 -3.748 11.956 -9.028 1.00 0.44 C ATOM 1151 CD GLN A 105 -3.379 10.541 -8.633 1.00 1.31 C ATOM 1152 OE1 GLN A 105 -3.884 10.096 -7.492 1.00 2.04 O flip ATOM 1153 NE2 GLN A 105 -2.634 9.861 -9.339 1.00 1.38 N flip ATOM 0 H GLN A 105 -6.789 11.245 -7.140 1.00 0.40 H new ATOM 0 HA GLN A 105 -4.407 12.539 -6.639 1.00 0.51 H new ATOM 0 HB2 GLN A 105 -5.816 11.476 -8.838 1.00 0.86 H new ATOM 0 HB3 GLN A 105 -5.501 13.141 -9.284 1.00 0.86 H new ATOM 0 HG2 GLN A 105 -3.629 12.069 -10.106 1.00 0.44 H new ATOM 0 HG3 GLN A 105 -3.054 12.652 -8.556 1.00 0.44 H new ATOM 0 HE21 GLN A 105 -2.268 10.244 -10.211 1.00 1.38 H new ATOM 0 HE22 GLN A 105 -2.383 8.915 -9.052 1.00 1.38 H new ATOM 1162 N ILE A 106 -4.600 15.056 -7.378 1.00 0.92 N ATOM 1163 CA ILE A 106 -4.747 16.503 -7.327 1.00 1.05 C ATOM 1164 C ILE A 106 -6.063 16.951 -7.969 1.00 1.14 C ATOM 1165 O ILE A 106 -6.824 17.710 -7.366 1.00 1.10 O ATOM 1166 CB ILE A 106 -3.540 17.206 -8.002 1.00 1.36 C ATOM 1167 CG1 ILE A 106 -3.514 18.710 -7.677 1.00 1.47 C ATOM 1168 CG2 ILE A 106 -3.531 16.968 -9.508 1.00 1.69 C ATOM 1169 CD1 ILE A 106 -4.499 19.548 -8.467 1.00 1.68 C ATOM 0 H ILE A 106 -3.668 14.736 -7.641 1.00 0.92 H new ATOM 0 HA ILE A 106 -4.770 16.796 -6.277 1.00 1.05 H new ATOM 0 HB ILE A 106 -2.632 16.764 -7.592 1.00 1.36 H new ATOM 0 HG12 ILE A 106 -3.717 18.841 -6.614 1.00 1.47 H new ATOM 0 HG13 ILE A 106 -2.508 19.089 -7.858 1.00 1.47 H new ATOM 0 HG21 ILE A 106 -2.673 17.474 -9.951 1.00 1.69 H new ATOM 0 HG22 ILE A 106 -3.464 15.898 -9.707 1.00 1.69 H new ATOM 0 HG23 ILE A 106 -4.449 17.362 -9.944 1.00 1.69 H new ATOM 0 HD11 ILE A 106 -4.408 20.593 -8.170 1.00 1.68 H new ATOM 0 HD12 ILE A 106 -4.285 19.453 -9.532 1.00 1.68 H new ATOM 0 HD13 ILE A 106 -5.513 19.201 -8.268 1.00 1.68 H new ATOM 1181 N CYS A 107 -6.329 16.466 -9.180 1.00 1.38 N ATOM 1182 CA CYS A 107 -7.545 16.795 -9.904 1.00 1.64 C ATOM 1183 C CYS A 107 -7.649 18.287 -10.210 1.00 1.77 C ATOM 1184 O CYS A 107 -7.366 19.140 -9.368 1.00 1.96 O ATOM 1185 CB CYS A 107 -8.775 16.334 -9.135 1.00 2.06 C ATOM 1186 SG CYS A 107 -10.349 16.860 -9.855 1.00 2.44 S ATOM 0 H CYS A 107 -5.705 15.835 -9.683 1.00 1.38 H new ATOM 0 HA CYS A 107 -7.498 16.264 -10.855 1.00 1.64 H new ATOM 0 HB2 CYS A 107 -8.763 15.246 -9.074 1.00 2.06 H new ATOM 0 HB3 CYS A 107 -8.713 16.711 -8.114 1.00 2.06 H new ATOM 0 HG CYS A 107 -10.656 16.077 -10.847 1.00 2.44 H new ATOM 1192 N PRO A 108 -8.076 18.600 -11.437 1.00 1.98 N ATOM 1193 CA PRO A 108 -8.239 19.973 -11.913 1.00 2.37 C ATOM 1194 C PRO A 108 -9.494 20.641 -11.369 1.00 2.63 C ATOM 1195 O PRO A 108 -9.446 21.418 -10.416 1.00 3.01 O ATOM 1196 CB PRO A 108 -8.361 19.811 -13.428 1.00 2.57 C ATOM 1197 CG PRO A 108 -8.853 18.425 -13.648 1.00 2.52 C ATOM 1198 CD PRO A 108 -8.427 17.607 -12.456 1.00 2.13 C ATOM 0 HA PRO A 108 -7.412 20.606 -11.591 1.00 2.37 H new ATOM 0 HB2 PRO A 108 -9.053 20.543 -13.845 1.00 2.57 H new ATOM 0 HB3 PRO A 108 -7.399 19.967 -13.917 1.00 2.57 H new ATOM 0 HG2 PRO A 108 -9.938 18.414 -13.754 1.00 2.52 H new ATOM 0 HG3 PRO A 108 -8.438 18.011 -14.567 1.00 2.52 H new ATOM 0 HD2 PRO A 108 -9.231 16.955 -12.114 1.00 2.13 H new ATOM 0 HD3 PRO A 108 -7.578 16.967 -12.696 1.00 2.13 H new ATOM 1206 N ALA A 109 -10.612 20.319 -11.999 1.00 2.71 N ATOM 1207 CA ALA A 109 -11.912 20.866 -11.640 1.00 3.21 C ATOM 1208 C ALA A 109 -12.969 20.241 -12.524 1.00 3.80 C ATOM 1209 O ALA A 109 -14.104 20.712 -12.586 1.00 4.42 O ATOM 1210 CB ALA A 109 -11.918 22.365 -11.840 1.00 3.61 C ATOM 0 H ALA A 109 -10.644 19.665 -12.781 1.00 2.71 H new ATOM 0 HA ALA A 109 -12.119 20.646 -10.593 1.00 3.21 H new ATOM 0 HB1 ALA A 109 -12.895 22.764 -11.569 1.00 3.61 H new ATOM 0 HB2 ALA A 109 -11.153 22.819 -11.210 1.00 3.61 H new ATOM 0 HB3 ALA A 109 -11.710 22.593 -12.885 1.00 3.61 H new ATOM 1216 N THR A 110 -12.565 19.159 -13.178 1.00 3.73 N ATOM 1217 CA THR A 110 -13.390 18.436 -14.111 1.00 4.39 C ATOM 1218 C THR A 110 -14.521 19.297 -14.666 1.00 4.73 C ATOM 1219 O THR A 110 -15.671 19.213 -14.232 1.00 5.41 O ATOM 1220 CB THR A 110 -13.912 17.153 -13.452 1.00 4.40 C ATOM 1221 OG1 THR A 110 -12.833 16.223 -13.295 1.00 4.36 O ATOM 1222 CG2 THR A 110 -15.022 16.507 -14.260 1.00 5.18 C ATOM 0 H THR A 110 -11.633 18.759 -13.065 1.00 3.73 H new ATOM 0 HA THR A 110 -12.778 18.159 -14.970 1.00 4.39 H new ATOM 0 HB THR A 110 -14.324 17.425 -12.480 1.00 4.40 H new ATOM 0 HG1 THR A 110 -13.166 15.404 -12.872 1.00 4.36 H new ATOM 0 HG21 THR A 110 -15.360 15.602 -13.755 1.00 5.18 H new ATOM 0 HG22 THR A 110 -15.856 17.203 -14.355 1.00 5.18 H new ATOM 0 HG23 THR A 110 -14.649 16.251 -15.252 1.00 5.18 H new ATOM 1230 N ALA A 111 -14.157 20.160 -15.612 1.00 4.47 N ATOM 1231 CA ALA A 111 -15.116 21.050 -16.263 1.00 5.09 C ATOM 1232 C ALA A 111 -15.780 21.993 -15.264 1.00 5.25 C ATOM 1233 O ALA A 111 -16.674 21.594 -14.516 1.00 5.83 O ATOM 1234 CB ALA A 111 -16.170 20.239 -17.005 1.00 5.21 C ATOM 0 H ALA A 111 -13.199 20.262 -15.946 1.00 4.47 H new ATOM 0 HA ALA A 111 -14.566 21.661 -16.979 1.00 5.09 H new ATOM 0 HB1 ALA A 111 -16.878 20.915 -17.485 1.00 5.21 H new ATOM 0 HB2 ALA A 111 -15.687 19.621 -17.762 1.00 5.21 H new ATOM 0 HB3 ALA A 111 -16.700 19.600 -16.299 1.00 5.21 H new ATOM 1240 N GLY A 112 -15.340 23.247 -15.263 1.00 4.96 N ATOM 1241 CA GLY A 112 -15.902 24.234 -14.359 1.00 5.16 C ATOM 1242 C GLY A 112 -15.680 23.890 -12.900 1.00 4.51 C ATOM 1243 O GLY A 112 -14.561 23.584 -12.492 1.00 4.82 O ATOM 0 H GLY A 112 -14.602 23.598 -15.874 1.00 4.96 H new ATOM 0 HA2 GLY A 112 -15.458 25.207 -14.570 1.00 5.16 H new ATOM 0 HA3 GLY A 112 -16.972 24.325 -14.547 1.00 5.16 H new ATOM 1247 N SER A 113 -16.751 23.941 -12.114 1.00 4.00 N ATOM 1248 CA SER A 113 -16.676 23.638 -10.689 1.00 3.71 C ATOM 1249 C SER A 113 -18.076 23.484 -10.101 1.00 3.99 C ATOM 1250 O SER A 113 -19.063 23.426 -10.835 1.00 4.55 O ATOM 1251 CB SER A 113 -15.919 24.741 -9.960 1.00 3.97 C ATOM 1252 OG SER A 113 -15.611 24.365 -8.628 1.00 4.55 O ATOM 0 H SER A 113 -17.684 24.190 -12.442 1.00 4.00 H new ATOM 0 HA SER A 113 -16.141 22.697 -10.561 1.00 3.71 H new ATOM 0 HB2 SER A 113 -14.998 24.969 -10.497 1.00 3.97 H new ATOM 0 HB3 SER A 113 -16.518 25.652 -9.953 1.00 3.97 H new ATOM 0 HG SER A 113 -16.089 24.950 -8.004 1.00 4.55 H new ATOM 1258 N GLY A 114 -18.158 23.418 -8.774 1.00 3.89 N ATOM 1259 CA GLY A 114 -19.442 23.274 -8.115 1.00 4.42 C ATOM 1260 C GLY A 114 -19.387 23.741 -6.681 1.00 4.31 C ATOM 1261 O GLY A 114 -19.541 24.934 -6.414 1.00 4.31 O ATOM 0 H GLY A 114 -17.357 23.462 -8.145 1.00 3.89 H new ATOM 0 HA2 GLY A 114 -20.195 23.847 -8.656 1.00 4.42 H new ATOM 0 HA3 GLY A 114 -19.752 22.230 -8.146 1.00 4.42 H new ATOM 1265 N PRO A 115 -19.169 22.825 -5.723 1.00 4.52 N ATOM 1266 CA PRO A 115 -19.082 23.191 -4.317 1.00 4.49 C ATOM 1267 C PRO A 115 -17.915 24.137 -4.072 1.00 3.53 C ATOM 1268 O PRO A 115 -18.114 25.313 -3.766 1.00 3.40 O ATOM 1269 CB PRO A 115 -18.861 21.855 -3.593 1.00 5.18 C ATOM 1270 CG PRO A 115 -19.275 20.808 -4.570 1.00 5.57 C ATOM 1271 CD PRO A 115 -18.995 21.377 -5.931 1.00 5.13 C ATOM 0 HA PRO A 115 -19.972 23.714 -3.968 1.00 4.49 H new ATOM 0 HB2 PRO A 115 -17.818 21.732 -3.303 1.00 5.18 H new ATOM 0 HB3 PRO A 115 -19.454 21.799 -2.680 1.00 5.18 H new ATOM 0 HG2 PRO A 115 -18.718 19.884 -4.411 1.00 5.57 H new ATOM 0 HG3 PRO A 115 -20.332 20.566 -4.458 1.00 5.57 H new ATOM 0 HD2 PRO A 115 -17.988 21.136 -6.271 1.00 5.13 H new ATOM 0 HD3 PRO A 115 -19.685 20.990 -6.681 1.00 5.13 H new ATOM 1279 N ALA A 116 -16.699 23.608 -4.232 1.00 3.42 N ATOM 1280 CA ALA A 116 -15.473 24.384 -4.048 1.00 3.13 C ATOM 1281 C ALA A 116 -14.252 23.472 -4.056 1.00 2.42 C ATOM 1282 O ALA A 116 -13.461 23.483 -5.000 1.00 2.54 O ATOM 1283 CB ALA A 116 -15.520 25.176 -2.752 1.00 3.79 C ATOM 0 H ALA A 116 -16.538 22.635 -4.491 1.00 3.42 H new ATOM 0 HA ALA A 116 -15.395 25.084 -4.880 1.00 3.13 H new ATOM 0 HB1 ALA A 116 -14.597 25.744 -2.639 1.00 3.79 H new ATOM 0 HB2 ALA A 116 -16.367 25.861 -2.775 1.00 3.79 H new ATOM 0 HB3 ALA A 116 -15.630 24.491 -1.911 1.00 3.79 H new ATOM 1289 N ALA A 117 -14.107 22.685 -2.995 1.00 2.24 N ATOM 1290 CA ALA A 117 -12.987 21.761 -2.871 1.00 2.23 C ATOM 1291 C ALA A 117 -13.414 20.487 -2.151 1.00 1.90 C ATOM 1292 O ALA A 117 -13.311 19.393 -2.704 1.00 2.32 O ATOM 1293 CB ALA A 117 -11.831 22.426 -2.138 1.00 2.68 C ATOM 0 H ALA A 117 -14.754 22.669 -2.206 1.00 2.24 H new ATOM 0 HA ALA A 117 -12.654 21.490 -3.873 1.00 2.23 H new ATOM 0 HB1 ALA A 117 -11.002 21.724 -2.053 1.00 2.68 H new ATOM 0 HB2 ALA A 117 -11.506 23.306 -2.693 1.00 2.68 H new ATOM 0 HB3 ALA A 117 -12.156 22.726 -1.142 1.00 2.68 H new ATOM 1299 N THR A 118 -13.887 20.647 -0.914 1.00 1.67 N ATOM 1300 CA THR A 118 -14.343 19.526 -0.095 1.00 1.39 C ATOM 1301 C THR A 118 -13.261 18.471 0.060 1.00 1.32 C ATOM 1302 O THR A 118 -12.908 17.771 -0.889 1.00 1.54 O ATOM 1303 CB THR A 118 -15.622 18.874 -0.661 1.00 1.63 C ATOM 1304 OG1 THR A 118 -15.349 18.242 -1.917 1.00 2.42 O ATOM 1305 CG2 THR A 118 -16.720 19.910 -0.838 1.00 1.79 C ATOM 0 H THR A 118 -13.964 21.554 -0.454 1.00 1.67 H new ATOM 0 HA THR A 118 -14.575 19.942 0.885 1.00 1.39 H new ATOM 0 HB THR A 118 -15.960 18.121 0.051 1.00 1.63 H new ATOM 0 HG1 THR A 118 -14.381 18.222 -2.070 1.00 2.42 H new ATOM 0 HG21 THR A 118 -17.613 19.429 -1.238 1.00 1.79 H new ATOM 0 HG22 THR A 118 -16.952 20.362 0.126 1.00 1.79 H new ATOM 0 HG23 THR A 118 -16.383 20.683 -1.529 1.00 1.79 H new ATOM 1313 N GLN A 119 -12.747 18.358 1.274 1.00 1.30 N ATOM 1314 CA GLN A 119 -11.697 17.404 1.572 1.00 1.36 C ATOM 1315 C GLN A 119 -12.104 16.480 2.714 1.00 1.15 C ATOM 1316 O GLN A 119 -11.745 16.701 3.871 1.00 1.41 O ATOM 1317 CB GLN A 119 -10.418 18.156 1.924 1.00 1.83 C ATOM 1318 CG GLN A 119 -9.900 19.019 0.791 1.00 1.69 C ATOM 1319 CD GLN A 119 -9.157 18.215 -0.251 1.00 1.85 C ATOM 1320 OE1 GLN A 119 -7.939 18.057 -0.182 1.00 2.35 O ATOM 1321 NE2 GLN A 119 -9.894 17.696 -1.223 1.00 2.12 N ATOM 0 H GLN A 119 -13.044 18.920 2.072 1.00 1.30 H new ATOM 0 HA GLN A 119 -11.524 16.785 0.692 1.00 1.36 H new ATOM 0 HB2 GLN A 119 -10.602 18.784 2.795 1.00 1.83 H new ATOM 0 HB3 GLN A 119 -9.648 17.438 2.206 1.00 1.83 H new ATOM 0 HG2 GLN A 119 -10.736 19.536 0.320 1.00 1.69 H new ATOM 0 HG3 GLN A 119 -9.238 19.786 1.195 1.00 1.69 H new ATOM 0 HE21 GLN A 119 -10.902 17.854 -1.239 1.00 2.12 H new ATOM 0 HE22 GLN A 119 -9.453 17.139 -1.955 1.00 2.12 H new ATOM 1330 N ASP A 120 -12.857 15.446 2.369 1.00 0.81 N ATOM 1331 CA ASP A 120 -13.311 14.451 3.333 1.00 0.68 C ATOM 1332 C ASP A 120 -13.206 13.070 2.703 1.00 0.54 C ATOM 1333 O ASP A 120 -14.189 12.523 2.202 1.00 0.63 O ATOM 1334 CB ASP A 120 -14.754 14.733 3.763 1.00 0.72 C ATOM 1335 CG ASP A 120 -14.907 16.089 4.424 1.00 1.34 C ATOM 1336 OD1 ASP A 120 -15.115 17.084 3.698 1.00 2.16 O ATOM 1337 OD2 ASP A 120 -14.822 16.155 5.668 1.00 1.54 O ATOM 0 H ASP A 120 -13.171 15.272 1.414 1.00 0.81 H new ATOM 0 HA ASP A 120 -12.682 14.497 4.222 1.00 0.68 H new ATOM 0 HB2 ASP A 120 -15.406 14.681 2.891 1.00 0.72 H new ATOM 0 HB3 ASP A 120 -15.083 13.956 4.454 1.00 0.72 H new ATOM 1342 N PHE A 121 -12.000 12.519 2.733 1.00 0.45 N ATOM 1343 CA PHE A 121 -11.734 11.221 2.130 1.00 0.36 C ATOM 1344 C PHE A 121 -12.190 10.068 3.020 1.00 0.31 C ATOM 1345 O PHE A 121 -11.412 9.161 3.319 1.00 0.33 O ATOM 1346 CB PHE A 121 -10.240 11.074 1.813 1.00 0.47 C ATOM 1347 CG PHE A 121 -9.565 12.340 1.338 1.00 0.37 C ATOM 1348 CD1 PHE A 121 -10.297 13.302 0.661 1.00 0.46 C ATOM 1349 CD2 PHE A 121 -8.213 12.575 1.569 1.00 0.27 C ATOM 1350 CE1 PHE A 121 -9.702 14.468 0.221 1.00 0.41 C ATOM 1351 CE2 PHE A 121 -7.615 13.742 1.131 1.00 0.26 C ATOM 1352 CZ PHE A 121 -8.285 14.654 0.469 1.00 0.31 C ATOM 0 H PHE A 121 -11.188 12.953 3.171 1.00 0.45 H new ATOM 0 HA PHE A 121 -12.309 11.174 1.206 1.00 0.36 H new ATOM 0 HB2 PHE A 121 -9.727 10.719 2.707 1.00 0.47 H new ATOM 0 HB3 PHE A 121 -10.119 10.306 1.049 1.00 0.47 H new ATOM 0 HD1 PHE A 121 -11.348 13.138 0.475 1.00 0.46 H new ATOM 0 HD2 PHE A 121 -7.625 11.838 2.096 1.00 0.27 H new ATOM 0 HE1 PHE A 121 -10.277 15.223 -0.295 1.00 0.41 H new ATOM 0 HE2 PHE A 121 -6.568 13.907 1.340 1.00 0.26 H new ATOM 0 HZ PHE A 121 -7.784 15.541 0.110 1.00 0.31 H new ATOM 1362 N SER A 122 -13.450 10.100 3.442 1.00 0.32 N ATOM 1363 CA SER A 122 -13.991 9.035 4.274 1.00 0.34 C ATOM 1364 C SER A 122 -14.268 7.806 3.420 1.00 0.29 C ATOM 1365 O SER A 122 -14.441 6.702 3.936 1.00 0.32 O ATOM 1366 CB SER A 122 -15.270 9.479 4.980 1.00 0.42 C ATOM 1367 OG SER A 122 -16.285 9.803 4.047 1.00 1.26 O ATOM 0 H SER A 122 -14.110 10.846 3.223 1.00 0.32 H new ATOM 0 HA SER A 122 -13.253 8.790 5.038 1.00 0.34 H new ATOM 0 HB2 SER A 122 -15.619 8.684 5.639 1.00 0.42 H new ATOM 0 HB3 SER A 122 -15.060 10.345 5.608 1.00 0.42 H new ATOM 0 HG SER A 122 -17.093 10.082 4.526 1.00 1.26 H new ATOM 1373 N LYS A 123 -14.315 8.008 2.104 1.00 0.27 N ATOM 1374 CA LYS A 123 -14.548 6.912 1.178 1.00 0.29 C ATOM 1375 C LYS A 123 -13.329 6.011 1.161 1.00 0.24 C ATOM 1376 O LYS A 123 -13.445 4.785 1.147 1.00 0.27 O ATOM 1377 CB LYS A 123 -14.840 7.439 -0.227 1.00 0.37 C ATOM 1378 CG LYS A 123 -16.127 8.246 -0.319 1.00 0.42 C ATOM 1379 CD LYS A 123 -15.901 9.724 -0.037 1.00 0.91 C ATOM 1380 CE LYS A 123 -14.995 10.357 -1.079 1.00 1.81 C ATOM 1381 NZ LYS A 123 -14.632 11.757 -0.727 1.00 2.58 N ATOM 0 H LYS A 123 -14.195 8.919 1.661 1.00 0.27 H new ATOM 0 HA LYS A 123 -15.418 6.345 1.508 1.00 0.29 H new ATOM 0 HB2 LYS A 123 -14.007 8.061 -0.553 1.00 0.37 H new ATOM 0 HB3 LYS A 123 -14.899 6.597 -0.917 1.00 0.37 H new ATOM 0 HG2 LYS A 123 -16.556 8.129 -1.314 1.00 0.42 H new ATOM 0 HG3 LYS A 123 -16.854 7.850 0.390 1.00 0.42 H new ATOM 0 HD2 LYS A 123 -16.859 10.243 -0.023 1.00 0.91 H new ATOM 0 HD3 LYS A 123 -15.459 9.843 0.952 1.00 0.91 H new ATOM 0 HE2 LYS A 123 -14.087 9.762 -1.180 1.00 1.81 H new ATOM 0 HE3 LYS A 123 -15.494 10.345 -2.048 1.00 1.81 H new ATOM 0 HZ1 LYS A 123 -13.748 12.018 -1.209 1.00 2.58 H new ATOM 0 HZ2 LYS A 123 -15.393 12.399 -1.027 1.00 2.58 H new ATOM 0 HZ3 LYS A 123 -14.500 11.833 0.302 1.00 2.58 H new ATOM 1395 N LEU A 124 -12.154 6.634 1.158 1.00 0.22 N ATOM 1396 CA LEU A 124 -10.904 5.905 1.189 1.00 0.20 C ATOM 1397 C LEU A 124 -10.844 5.099 2.481 1.00 0.16 C ATOM 1398 O LEU A 124 -10.178 4.068 2.566 1.00 0.16 O ATOM 1399 CB LEU A 124 -9.735 6.897 1.099 1.00 0.25 C ATOM 1400 CG LEU A 124 -8.326 6.296 1.044 1.00 0.24 C ATOM 1401 CD1 LEU A 124 -8.331 4.936 0.374 1.00 0.26 C ATOM 1402 CD2 LEU A 124 -7.390 7.236 0.302 1.00 0.25 C ATOM 0 H LEU A 124 -12.049 7.648 1.134 1.00 0.22 H new ATOM 0 HA LEU A 124 -10.834 5.221 0.343 1.00 0.20 H new ATOM 0 HB2 LEU A 124 -9.878 7.512 0.210 1.00 0.25 H new ATOM 0 HB3 LEU A 124 -9.787 7.564 1.960 1.00 0.25 H new ATOM 0 HG LEU A 124 -7.975 6.166 2.068 1.00 0.24 H new ATOM 0 HD11 LEU A 124 -7.317 4.538 0.351 1.00 0.26 H new ATOM 0 HD12 LEU A 124 -8.975 4.257 0.933 1.00 0.26 H new ATOM 0 HD13 LEU A 124 -8.705 5.034 -0.645 1.00 0.26 H new ATOM 0 HD21 LEU A 124 -6.391 6.802 0.267 1.00 0.25 H new ATOM 0 HD22 LEU A 124 -7.756 7.387 -0.714 1.00 0.25 H new ATOM 0 HD23 LEU A 124 -7.351 8.194 0.820 1.00 0.25 H new ATOM 1414 N LEU A 125 -11.575 5.585 3.482 1.00 0.18 N ATOM 1415 CA LEU A 125 -11.645 4.930 4.779 1.00 0.22 C ATOM 1416 C LEU A 125 -12.451 3.640 4.667 1.00 0.24 C ATOM 1417 O LEU A 125 -12.023 2.579 5.130 1.00 0.26 O ATOM 1418 CB LEU A 125 -12.297 5.868 5.800 1.00 0.28 C ATOM 1419 CG LEU A 125 -11.641 5.887 7.179 1.00 0.32 C ATOM 1420 CD1 LEU A 125 -10.408 6.777 7.163 1.00 1.23 C ATOM 1421 CD2 LEU A 125 -12.629 6.357 8.234 1.00 1.30 C ATOM 0 H LEU A 125 -12.130 6.438 3.415 1.00 0.18 H new ATOM 0 HA LEU A 125 -10.636 4.689 5.112 1.00 0.22 H new ATOM 0 HB2 LEU A 125 -12.287 6.881 5.397 1.00 0.28 H new ATOM 0 HB3 LEU A 125 -13.342 5.582 5.917 1.00 0.28 H new ATOM 0 HG LEU A 125 -11.332 4.873 7.431 1.00 0.32 H new ATOM 0 HD11 LEU A 125 -9.950 6.782 8.152 1.00 1.23 H new ATOM 0 HD12 LEU A 125 -9.693 6.395 6.434 1.00 1.23 H new ATOM 0 HD13 LEU A 125 -10.696 7.793 6.892 1.00 1.23 H new ATOM 0 HD21 LEU A 125 -12.143 6.364 9.210 1.00 1.30 H new ATOM 0 HD22 LEU A 125 -12.969 7.364 7.991 1.00 1.30 H new ATOM 0 HD23 LEU A 125 -13.484 5.681 8.259 1.00 1.30 H new ATOM 1433 N SER A 126 -13.622 3.742 4.042 1.00 0.28 N ATOM 1434 CA SER A 126 -14.493 2.588 3.854 1.00 0.34 C ATOM 1435 C SER A 126 -13.815 1.545 2.973 1.00 0.28 C ATOM 1436 O SER A 126 -13.980 0.342 3.178 1.00 0.29 O ATOM 1437 CB SER A 126 -15.820 3.020 3.224 1.00 0.44 C ATOM 1438 OG SER A 126 -16.493 3.959 4.044 1.00 1.40 O ATOM 0 H SER A 126 -13.988 4.613 3.658 1.00 0.28 H new ATOM 0 HA SER A 126 -14.692 2.146 4.830 1.00 0.34 H new ATOM 0 HB2 SER A 126 -15.635 3.457 2.243 1.00 0.44 H new ATOM 0 HB3 SER A 126 -16.454 2.147 3.070 1.00 0.44 H new ATOM 0 HG SER A 126 -17.336 4.220 3.618 1.00 1.40 H new ATOM 1444 N SER A 127 -13.052 2.018 1.994 1.00 0.25 N ATOM 1445 CA SER A 127 -12.343 1.132 1.080 1.00 0.25 C ATOM 1446 C SER A 127 -11.300 0.310 1.826 1.00 0.21 C ATOM 1447 O SER A 127 -11.117 -0.872 1.551 1.00 0.23 O ATOM 1448 CB SER A 127 -11.671 1.941 -0.032 1.00 0.31 C ATOM 1449 OG SER A 127 -11.005 1.090 -0.949 1.00 1.09 O ATOM 0 H SER A 127 -12.909 3.012 1.813 1.00 0.25 H new ATOM 0 HA SER A 127 -13.069 0.452 0.635 1.00 0.25 H new ATOM 0 HB2 SER A 127 -12.419 2.534 -0.558 1.00 0.31 H new ATOM 0 HB3 SER A 127 -10.958 2.641 0.403 1.00 0.31 H new ATOM 0 HG SER A 127 -10.585 1.630 -1.651 1.00 1.09 H new ATOM 1455 N VAL A 128 -10.630 0.943 2.784 1.00 0.23 N ATOM 1456 CA VAL A 128 -9.599 0.278 3.570 1.00 0.30 C ATOM 1457 C VAL A 128 -10.173 -0.905 4.340 1.00 0.29 C ATOM 1458 O VAL A 128 -9.713 -2.040 4.198 1.00 0.32 O ATOM 1459 CB VAL A 128 -8.944 1.262 4.561 1.00 0.40 C ATOM 1460 CG1 VAL A 128 -8.200 0.519 5.662 1.00 0.51 C ATOM 1461 CG2 VAL A 128 -8.010 2.210 3.826 1.00 0.48 C ATOM 0 H VAL A 128 -10.784 1.920 3.035 1.00 0.23 H new ATOM 0 HA VAL A 128 -8.844 -0.086 2.873 1.00 0.30 H new ATOM 0 HB VAL A 128 -9.735 1.847 5.030 1.00 0.40 H new ATOM 0 HG11 VAL A 128 -7.749 1.238 6.345 1.00 0.51 H new ATOM 0 HG12 VAL A 128 -8.898 -0.114 6.210 1.00 0.51 H new ATOM 0 HG13 VAL A 128 -7.420 -0.100 5.220 1.00 0.51 H new ATOM 0 HG21 VAL A 128 -7.555 2.898 4.539 1.00 0.48 H new ATOM 0 HG22 VAL A 128 -7.229 1.637 3.326 1.00 0.48 H new ATOM 0 HG23 VAL A 128 -8.575 2.776 3.085 1.00 0.48 H new ATOM 1471 N LYS A 129 -11.178 -0.623 5.156 1.00 0.28 N ATOM 1472 CA LYS A 129 -11.822 -1.645 5.969 1.00 0.32 C ATOM 1473 C LYS A 129 -12.318 -2.819 5.128 1.00 0.27 C ATOM 1474 O LYS A 129 -12.234 -3.972 5.548 1.00 0.27 O ATOM 1475 CB LYS A 129 -12.979 -1.027 6.737 1.00 0.38 C ATOM 1476 CG LYS A 129 -12.533 -0.277 7.980 1.00 0.50 C ATOM 1477 CD LYS A 129 -13.574 0.732 8.418 1.00 1.12 C ATOM 1478 CE LYS A 129 -14.820 0.054 8.969 1.00 1.77 C ATOM 1479 NZ LYS A 129 -15.840 1.044 9.412 1.00 2.69 N ATOM 0 H LYS A 129 -11.568 0.312 5.273 1.00 0.28 H new ATOM 0 HA LYS A 129 -11.080 -2.036 6.665 1.00 0.32 H new ATOM 0 HB2 LYS A 129 -13.519 -0.344 6.082 1.00 0.38 H new ATOM 0 HB3 LYS A 129 -13.678 -1.813 7.025 1.00 0.38 H new ATOM 0 HG2 LYS A 129 -12.348 -0.985 8.788 1.00 0.50 H new ATOM 0 HG3 LYS A 129 -11.590 0.233 7.781 1.00 0.50 H new ATOM 0 HD2 LYS A 129 -13.149 1.386 9.179 1.00 1.12 H new ATOM 0 HD3 LYS A 129 -13.847 1.363 7.572 1.00 1.12 H new ATOM 0 HE2 LYS A 129 -15.250 -0.593 8.204 1.00 1.77 H new ATOM 0 HE3 LYS A 129 -14.545 -0.584 9.809 1.00 1.77 H new ATOM 0 HZ1 LYS A 129 -16.673 0.543 9.781 1.00 2.69 H new ATOM 0 HZ2 LYS A 129 -15.439 1.645 10.160 1.00 2.69 H new ATOM 0 HZ3 LYS A 129 -16.122 1.637 8.605 1.00 2.69 H new ATOM 1493 N GLU A 130 -12.836 -2.518 3.942 1.00 0.23 N ATOM 1494 CA GLU A 130 -13.362 -3.547 3.048 1.00 0.21 C ATOM 1495 C GLU A 130 -12.297 -4.562 2.635 1.00 0.17 C ATOM 1496 O GLU A 130 -12.473 -5.763 2.838 1.00 0.16 O ATOM 1497 CB GLU A 130 -13.978 -2.904 1.804 1.00 0.21 C ATOM 1498 CG GLU A 130 -14.649 -3.899 0.872 1.00 0.35 C ATOM 1499 CD GLU A 130 -15.282 -3.232 -0.333 1.00 1.20 C ATOM 1500 OE1 GLU A 130 -16.459 -2.828 -0.237 1.00 1.71 O ATOM 1501 OE2 GLU A 130 -14.600 -3.113 -1.372 1.00 2.10 O ATOM 0 H GLU A 130 -12.904 -1.568 3.576 1.00 0.23 H new ATOM 0 HA GLU A 130 -14.130 -4.087 3.601 1.00 0.21 H new ATOM 0 HB2 GLU A 130 -14.711 -2.160 2.115 1.00 0.21 H new ATOM 0 HB3 GLU A 130 -13.199 -2.374 1.256 1.00 0.21 H new ATOM 0 HG2 GLU A 130 -13.913 -4.628 0.534 1.00 0.35 H new ATOM 0 HG3 GLU A 130 -15.413 -4.448 1.422 1.00 0.35 H new ATOM 1508 N ILE A 131 -11.196 -4.084 2.056 1.00 0.18 N ATOM 1509 CA ILE A 131 -10.125 -4.974 1.606 1.00 0.16 C ATOM 1510 C ILE A 131 -9.682 -5.902 2.733 1.00 0.17 C ATOM 1511 O ILE A 131 -9.658 -7.126 2.578 1.00 0.16 O ATOM 1512 CB ILE A 131 -8.897 -4.191 1.100 1.00 0.18 C ATOM 1513 CG1 ILE A 131 -9.315 -2.918 0.372 1.00 0.28 C ATOM 1514 CG2 ILE A 131 -8.067 -5.065 0.178 1.00 0.29 C ATOM 1515 CD1 ILE A 131 -8.358 -1.767 0.589 1.00 0.27 C ATOM 0 H ILE A 131 -11.022 -3.093 1.888 1.00 0.18 H new ATOM 0 HA ILE A 131 -10.533 -5.558 0.781 1.00 0.16 H new ATOM 0 HB ILE A 131 -8.298 -3.906 1.965 1.00 0.18 H new ATOM 0 HG12 ILE A 131 -9.388 -3.125 -0.696 1.00 0.28 H new ATOM 0 HG13 ILE A 131 -10.309 -2.624 0.709 1.00 0.28 H new ATOM 0 HG21 ILE A 131 -7.202 -4.503 -0.174 1.00 0.29 H new ATOM 0 HG22 ILE A 131 -7.730 -5.948 0.720 1.00 0.29 H new ATOM 0 HG23 ILE A 131 -8.672 -5.372 -0.675 1.00 0.29 H new ATOM 0 HD11 ILE A 131 -8.712 -0.892 0.045 1.00 0.27 H new ATOM 0 HD12 ILE A 131 -8.303 -1.535 1.653 1.00 0.27 H new ATOM 0 HD13 ILE A 131 -7.368 -2.044 0.226 1.00 0.27 H new ATOM 1527 N SER A 132 -9.325 -5.305 3.867 1.00 0.20 N ATOM 1528 CA SER A 132 -8.893 -6.067 5.030 1.00 0.23 C ATOM 1529 C SER A 132 -9.922 -7.128 5.407 1.00 0.23 C ATOM 1530 O SER A 132 -9.577 -8.287 5.634 1.00 0.26 O ATOM 1531 CB SER A 132 -8.663 -5.128 6.213 1.00 0.27 C ATOM 1532 OG SER A 132 -8.551 -5.852 7.425 1.00 1.02 O ATOM 0 H SER A 132 -9.327 -4.294 4.003 1.00 0.20 H new ATOM 0 HA SER A 132 -7.960 -6.570 4.777 1.00 0.23 H new ATOM 0 HB2 SER A 132 -7.756 -4.546 6.048 1.00 0.27 H new ATOM 0 HB3 SER A 132 -9.488 -4.419 6.284 1.00 0.27 H new ATOM 0 HG SER A 132 -9.274 -5.588 8.032 1.00 1.02 H new ATOM 1538 N ASP A 133 -11.186 -6.723 5.475 1.00 0.23 N ATOM 1539 CA ASP A 133 -12.265 -7.636 5.832 1.00 0.26 C ATOM 1540 C ASP A 133 -12.338 -8.823 4.874 1.00 0.25 C ATOM 1541 O ASP A 133 -12.821 -9.894 5.243 1.00 0.36 O ATOM 1542 CB ASP A 133 -13.601 -6.893 5.839 1.00 0.28 C ATOM 1543 CG ASP A 133 -14.714 -7.713 6.461 1.00 0.33 C ATOM 1544 OD1 ASP A 133 -14.868 -7.665 7.699 1.00 0.37 O ATOM 1545 OD2 ASP A 133 -15.432 -8.405 5.708 1.00 0.37 O ATOM 0 H ASP A 133 -11.488 -5.767 5.287 1.00 0.23 H new ATOM 0 HA ASP A 133 -12.056 -8.021 6.830 1.00 0.26 H new ATOM 0 HB2 ASP A 133 -13.491 -5.958 6.389 1.00 0.28 H new ATOM 0 HB3 ASP A 133 -13.874 -6.631 4.817 1.00 0.28 H new ATOM 1550 N ILE A 134 -11.860 -8.633 3.647 1.00 0.16 N ATOM 1551 CA ILE A 134 -11.891 -9.698 2.647 1.00 0.16 C ATOM 1552 C ILE A 134 -10.857 -10.785 2.935 1.00 0.16 C ATOM 1553 O ILE A 134 -11.196 -11.965 2.983 1.00 0.26 O ATOM 1554 CB ILE A 134 -11.660 -9.153 1.220 1.00 0.17 C ATOM 1555 CG1 ILE A 134 -12.831 -8.265 0.795 1.00 0.17 C ATOM 1556 CG2 ILE A 134 -11.476 -10.299 0.236 1.00 0.22 C ATOM 1557 CD1 ILE A 134 -12.642 -7.618 -0.560 1.00 0.18 C ATOM 0 H ILE A 134 -11.449 -7.758 3.322 1.00 0.16 H new ATOM 0 HA ILE A 134 -12.888 -10.133 2.707 1.00 0.16 H new ATOM 0 HB ILE A 134 -10.751 -8.551 1.221 1.00 0.17 H new ATOM 0 HG12 ILE A 134 -13.742 -8.863 0.778 1.00 0.17 H new ATOM 0 HG13 ILE A 134 -12.975 -7.486 1.543 1.00 0.17 H new ATOM 0 HG21 ILE A 134 -11.314 -9.897 -0.764 1.00 0.22 H new ATOM 0 HG22 ILE A 134 -10.613 -10.897 0.531 1.00 0.22 H new ATOM 0 HG23 ILE A 134 -12.368 -10.925 0.236 1.00 0.22 H new ATOM 0 HD11 ILE A 134 -13.511 -7.004 -0.794 1.00 0.18 H new ATOM 0 HD12 ILE A 134 -11.750 -6.992 -0.543 1.00 0.18 H new ATOM 0 HD13 ILE A 134 -12.529 -8.391 -1.320 1.00 0.18 H new ATOM 1569 N VAL A 135 -9.603 -10.384 3.133 1.00 0.15 N ATOM 1570 CA VAL A 135 -8.529 -11.347 3.396 1.00 0.17 C ATOM 1571 C VAL A 135 -8.760 -12.137 4.687 1.00 0.19 C ATOM 1572 O VAL A 135 -8.422 -13.319 4.765 1.00 0.25 O ATOM 1573 CB VAL A 135 -7.136 -10.665 3.444 1.00 0.17 C ATOM 1574 CG1 VAL A 135 -7.239 -9.216 3.887 1.00 0.18 C ATOM 1575 CG2 VAL A 135 -6.189 -11.420 4.363 1.00 0.23 C ATOM 0 H VAL A 135 -9.304 -9.409 3.117 1.00 0.15 H new ATOM 0 HA VAL A 135 -8.546 -12.046 2.560 1.00 0.17 H new ATOM 0 HB VAL A 135 -6.735 -10.686 2.431 1.00 0.17 H new ATOM 0 HG11 VAL A 135 -6.244 -8.771 3.909 1.00 0.18 H new ATOM 0 HG12 VAL A 135 -7.868 -8.665 3.187 1.00 0.18 H new ATOM 0 HG13 VAL A 135 -7.679 -9.171 4.883 1.00 0.18 H new ATOM 0 HG21 VAL A 135 -5.221 -10.920 4.378 1.00 0.23 H new ATOM 0 HG22 VAL A 135 -6.601 -11.442 5.372 1.00 0.23 H new ATOM 0 HG23 VAL A 135 -6.065 -12.440 3.999 1.00 0.23 H new ATOM 1585 N GLN A 136 -9.322 -11.491 5.701 1.00 0.22 N ATOM 1586 CA GLN A 136 -9.575 -12.163 6.973 1.00 0.29 C ATOM 1587 C GLN A 136 -10.607 -13.273 6.815 1.00 0.42 C ATOM 1588 O GLN A 136 -10.317 -14.441 7.077 1.00 0.52 O ATOM 1589 CB GLN A 136 -10.031 -11.148 8.016 1.00 0.31 C ATOM 1590 CG GLN A 136 -8.993 -10.072 8.269 1.00 0.37 C ATOM 1591 CD GLN A 136 -9.456 -9.020 9.252 1.00 0.52 C ATOM 1592 OE1 GLN A 136 -10.281 -9.284 10.127 1.00 0.91 O ATOM 1593 NE2 GLN A 136 -8.914 -7.819 9.114 1.00 0.54 N ATOM 0 H GLN A 136 -9.609 -10.513 5.671 1.00 0.22 H new ATOM 0 HA GLN A 136 -8.646 -12.623 7.309 1.00 0.29 H new ATOM 0 HB2 GLN A 136 -10.959 -10.683 7.684 1.00 0.31 H new ATOM 0 HB3 GLN A 136 -10.250 -11.665 8.950 1.00 0.31 H new ATOM 0 HG2 GLN A 136 -8.082 -10.536 8.645 1.00 0.37 H new ATOM 0 HG3 GLN A 136 -8.739 -9.591 7.324 1.00 0.37 H new ATOM 0 HE21 GLN A 136 -8.234 -7.648 8.373 1.00 0.54 H new ATOM 0 HE22 GLN A 136 -9.177 -7.065 9.749 1.00 0.54 H new ATOM 1602 N ARG A 137 -11.809 -12.907 6.386 1.00 0.58 N ATOM 1603 CA ARG A 137 -12.876 -13.879 6.183 1.00 0.76 C ATOM 1604 C ARG A 137 -12.533 -14.799 5.012 1.00 0.86 C ATOM 1605 O ARG A 137 -13.163 -15.839 4.812 1.00 1.34 O ATOM 1606 CB ARG A 137 -14.210 -13.143 5.962 1.00 0.95 C ATOM 1607 CG ARG A 137 -15.032 -13.628 4.773 1.00 1.37 C ATOM 1608 CD ARG A 137 -14.526 -13.045 3.462 1.00 2.12 C ATOM 1609 NE ARG A 137 -14.339 -11.599 3.542 1.00 2.40 N ATOM 1610 CZ ARG A 137 -15.233 -10.716 3.100 1.00 3.46 C ATOM 1611 NH1 ARG A 137 -16.371 -11.133 2.561 1.00 4.05 N ATOM 1612 NH2 ARG A 137 -14.991 -9.417 3.199 1.00 4.06 N ATOM 0 H ARG A 137 -12.069 -11.944 6.172 1.00 0.58 H new ATOM 0 HA ARG A 137 -12.980 -14.504 7.070 1.00 0.76 H new ATOM 0 HB2 ARG A 137 -14.814 -13.241 6.864 1.00 0.95 H new ATOM 0 HB3 ARG A 137 -14.003 -12.081 5.831 1.00 0.95 H new ATOM 0 HG2 ARG A 137 -14.995 -14.716 4.725 1.00 1.37 H new ATOM 0 HG3 ARG A 137 -16.076 -13.350 4.915 1.00 1.37 H new ATOM 0 HD2 ARG A 137 -13.581 -13.518 3.196 1.00 2.12 H new ATOM 0 HD3 ARG A 137 -15.234 -13.275 2.666 1.00 2.12 H new ATOM 0 HE ARG A 137 -13.477 -11.246 3.959 1.00 2.40 H new ATOM 0 HH11 ARG A 137 -16.563 -12.132 2.484 1.00 4.05 H new ATOM 0 HH12 ARG A 137 -17.054 -10.455 2.223 1.00 4.05 H new ATOM 0 HH21 ARG A 137 -14.118 -9.091 3.614 1.00 4.06 H new ATOM 0 HH22 ARG A 137 -15.677 -8.743 2.860 1.00 4.06 H new ATOM 1626 N LEU A 138 -11.511 -14.408 4.256 1.00 0.75 N ATOM 1627 CA LEU A 138 -11.059 -15.170 3.100 1.00 0.82 C ATOM 1628 C LEU A 138 -10.805 -16.628 3.468 1.00 1.08 C ATOM 1629 O LEU A 138 -11.651 -17.494 3.245 1.00 1.38 O ATOM 1630 CB LEU A 138 -9.783 -14.549 2.549 1.00 0.82 C ATOM 1631 CG LEU A 138 -9.665 -14.550 1.032 1.00 0.86 C ATOM 1632 CD1 LEU A 138 -10.706 -13.635 0.411 1.00 1.89 C ATOM 1633 CD2 LEU A 138 -8.270 -14.128 0.625 1.00 1.44 C ATOM 0 H LEU A 138 -10.976 -13.557 4.428 1.00 0.75 H new ATOM 0 HA LEU A 138 -11.841 -15.142 2.342 1.00 0.82 H new ATOM 0 HB2 LEU A 138 -9.717 -13.520 2.902 1.00 0.82 H new ATOM 0 HB3 LEU A 138 -8.929 -15.084 2.964 1.00 0.82 H new ATOM 0 HG LEU A 138 -9.847 -15.561 0.666 1.00 0.86 H new ATOM 0 HD11 LEU A 138 -10.604 -13.651 -0.674 1.00 1.89 H new ATOM 0 HD12 LEU A 138 -11.703 -13.979 0.686 1.00 1.89 H new ATOM 0 HD13 LEU A 138 -10.560 -12.618 0.774 1.00 1.89 H new ATOM 0 HD21 LEU A 138 -8.192 -14.131 -0.462 1.00 1.44 H new ATOM 0 HD22 LEU A 138 -8.069 -13.125 1.001 1.00 1.44 H new ATOM 0 HD23 LEU A 138 -7.543 -14.824 1.043 1.00 1.44 H new ATOM 1645 N GLU A 139 -9.632 -16.886 4.034 1.00 1.21 N ATOM 1646 CA GLU A 139 -9.253 -18.231 4.438 1.00 1.62 C ATOM 1647 C GLU A 139 -9.962 -18.640 5.729 1.00 2.23 C ATOM 1648 O GLU A 139 -9.405 -18.399 6.820 1.00 3.00 O ATOM 1649 CB GLU A 139 -7.734 -18.317 4.605 1.00 2.21 C ATOM 1650 CG GLU A 139 -7.145 -17.214 5.471 1.00 2.94 C ATOM 1651 CD GLU A 139 -5.630 -17.266 5.528 1.00 3.72 C ATOM 1652 OE1 GLU A 139 -5.094 -17.949 6.427 1.00 4.16 O ATOM 1653 OE2 GLU A 139 -4.981 -16.627 4.675 1.00 4.17 O ATOM 1654 OXT GLU A 139 -11.076 -19.199 5.636 1.00 2.56 O ATOM 0 H GLU A 139 -8.925 -16.176 4.224 1.00 1.21 H new ATOM 0 HA GLU A 139 -9.563 -18.925 3.657 1.00 1.62 H new ATOM 0 HB2 GLU A 139 -7.481 -19.283 5.042 1.00 2.21 H new ATOM 0 HB3 GLU A 139 -7.268 -18.280 3.621 1.00 2.21 H new ATOM 0 HG2 GLU A 139 -7.458 -16.245 5.082 1.00 2.94 H new ATOM 0 HG3 GLU A 139 -7.546 -17.296 6.481 1.00 2.94 H new TER 1661 GLU A 139