USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 809 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 93 ASN : amide:sc= -5.4! K(o=-5.4!,f=-0.15) USER MOD Set 1.2: A 96 LYS NZ :NH3+ -166:sc= 0.00241 (180deg=0) USER MOD Set 2.1: A 69 CYS SG : rot -122:sc= -0.472! USER MOD Set 2.2: A 78 GLN : amide:sc= -3.87! C(o=-4.3!,f=-7!) USER MOD Set 3.1: A 30 THR OG1 : rot 180:sc=-0.00763 USER MOD Set 3.2: A 39 LYS NZ :NH3+ -153:sc= -0.441! (180deg=-2.22!) USER MOD Set 4.1: A 32 CYS SG : rot 177:sc= -0.245! USER MOD Set 4.2: A 35 CYS SG : rot 70:sc= -2.36! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -155:sc= -0.0569 (180deg=-0.944) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=7.7e-05) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -159:sc= -0.0672 (180deg=-0.531) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.0019) USER MOD Single : A 21 LYS NZ :NH3+ -164:sc= -0.113 (180deg=-0.18) USER MOD Single : A 28 SER OG : rot 180:sc= 0.214 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -2.35! C(o=-2.4!,f=-6.3!) USER MOD Single : A 44 SER OG : rot 15:sc= 1.01 USER MOD Single : A 46 SER OG : rot 180:sc= -0.225 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -4.21! K(o=-4.2!,f=-1.5) USER MOD Single : A 62 CYS SG : rot -24:sc= -0.381 USER MOD Single : A 63 GLN : amide:sc= 0.268 K(o=0.27,f=-0.99!) USER MOD Single : A 67 SER OG : rot 83:sc= 1.2 USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= -0.299 (180deg=-0.499) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 76 THR OG1 : rot 112:sc= 0.833 USER MOD Single : A 81 LYS NZ :NH3+ 154:sc= 0.153 (180deg=0.0114) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0.274 X(o=0.27,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 149:sc= -0.163 (180deg=-0.821) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 88:sc= 1.04 USER MOD Single : A 102 ASN : amide:sc= -0.0251 X(o=-0.025,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.720 -0.976 8.092 1.00 1.53 N ATOM 2 CA MET A 1 -6.647 -1.229 9.096 1.00 0.82 C ATOM 3 C MET A 1 -5.287 -1.265 8.393 1.00 0.75 C ATOM 4 O MET A 1 -5.055 -2.084 7.527 1.00 1.27 O ATOM 5 CB MET A 1 -6.879 -2.561 9.807 1.00 1.22 C ATOM 6 CG MET A 1 -8.060 -2.416 10.768 1.00 1.54 C ATOM 7 SD MET A 1 -7.681 -2.151 12.517 1.00 0.81 S ATOM 8 CE MET A 1 -8.563 -3.595 13.160 1.00 1.81 C ATOM 0 H1 MET A 1 -8.539 -0.540 8.562 1.00 1.53 H new ATOM 0 H2 MET A 1 -7.362 -0.335 7.355 1.00 1.53 H new ATOM 0 H3 MET A 1 -8.008 -1.876 7.658 1.00 1.53 H new ATOM 0 HA MET A 1 -6.665 -0.427 9.833 1.00 0.82 H new ATOM 0 HB2 MET A 1 -7.081 -3.346 9.078 1.00 1.22 H new ATOM 0 HB3 MET A 1 -5.983 -2.857 10.354 1.00 1.22 H new ATOM 0 HG2 MET A 1 -8.673 -1.582 10.426 1.00 1.54 H new ATOM 0 HG3 MET A 1 -8.672 -3.315 10.688 1.00 1.54 H new ATOM 0 HE1 MET A 1 -8.461 -3.631 14.245 1.00 1.81 H new ATOM 0 HE2 MET A 1 -9.618 -3.523 12.897 1.00 1.81 H new ATOM 0 HE3 MET A 1 -8.142 -4.502 12.726 1.00 1.81 H new ATOM 20 N VAL A 2 -4.417 -0.374 8.782 1.00 0.16 N ATOM 21 CA VAL A 2 -3.068 -0.344 8.144 1.00 0.08 C ATOM 22 C VAL A 2 -2.229 -1.534 8.623 1.00 0.34 C ATOM 23 O VAL A 2 -2.393 -2.006 9.732 1.00 0.70 O ATOM 24 CB VAL A 2 -2.363 0.957 8.517 1.00 0.34 C ATOM 25 CG1 VAL A 2 -1.166 1.156 7.588 1.00 0.21 C ATOM 26 CG2 VAL A 2 -3.332 2.128 8.339 1.00 0.63 C ATOM 0 H VAL A 2 -4.577 0.327 9.505 1.00 0.16 H new ATOM 0 HA VAL A 2 -3.184 -0.406 7.062 1.00 0.08 H new ATOM 0 HB VAL A 2 -2.029 0.911 9.554 1.00 0.34 H new ATOM 0 HG11 VAL A 2 -0.655 2.084 7.846 1.00 0.21 H new ATOM 0 HG12 VAL A 2 -0.477 0.319 7.699 1.00 0.21 H new ATOM 0 HG13 VAL A 2 -1.511 1.208 6.555 1.00 0.21 H new ATOM 0 HG21 VAL A 2 -2.831 3.059 8.605 1.00 0.63 H new ATOM 0 HG22 VAL A 2 -3.658 2.176 7.300 1.00 0.63 H new ATOM 0 HG23 VAL A 2 -4.198 1.985 8.985 1.00 0.63 H new ATOM 36 N LYS A 3 -1.349 -1.995 7.773 1.00 0.25 N ATOM 37 CA LYS A 3 -0.481 -3.153 8.153 1.00 0.46 C ATOM 38 C LYS A 3 0.963 -2.893 7.708 1.00 0.33 C ATOM 39 O LYS A 3 1.215 -2.593 6.559 1.00 0.39 O ATOM 40 CB LYS A 3 -1.008 -4.416 7.474 1.00 0.71 C ATOM 41 CG LYS A 3 -0.390 -5.643 8.147 1.00 0.93 C ATOM 42 CD LYS A 3 -1.400 -6.235 9.133 1.00 0.82 C ATOM 43 CE LYS A 3 -0.740 -7.384 9.897 1.00 0.60 C ATOM 44 NZ LYS A 3 -1.529 -8.638 9.740 1.00 1.20 N ATOM 0 H LYS A 3 -1.193 -1.623 6.836 1.00 0.25 H new ATOM 0 HA LYS A 3 -0.499 -3.281 9.235 1.00 0.46 H new ATOM 0 HB2 LYS A 3 -2.095 -4.456 7.546 1.00 0.71 H new ATOM 0 HB3 LYS A 3 -0.759 -4.404 6.413 1.00 0.71 H new ATOM 0 HG2 LYS A 3 -0.117 -6.386 7.397 1.00 0.93 H new ATOM 0 HG3 LYS A 3 0.526 -5.365 8.668 1.00 0.93 H new ATOM 0 HD2 LYS A 3 -1.740 -5.468 9.828 1.00 0.82 H new ATOM 0 HD3 LYS A 3 -2.280 -6.595 8.599 1.00 0.82 H new ATOM 0 HE2 LYS A 3 0.274 -7.538 9.529 1.00 0.60 H new ATOM 0 HE3 LYS A 3 -0.661 -7.128 10.953 1.00 0.60 H new ATOM 0 HZ1 LYS A 3 -1.066 -9.407 10.265 1.00 1.20 H new ATOM 0 HZ2 LYS A 3 -2.489 -8.493 10.113 1.00 1.20 H new ATOM 0 HZ3 LYS A 3 -1.583 -8.890 8.733 1.00 1.20 H new ATOM 58 N GLN A 4 1.878 -3.015 8.630 1.00 0.19 N ATOM 59 CA GLN A 4 3.309 -2.772 8.278 1.00 0.11 C ATOM 60 C GLN A 4 3.996 -4.085 7.888 1.00 0.07 C ATOM 61 O GLN A 4 3.843 -5.090 8.554 1.00 0.15 O ATOM 62 CB GLN A 4 4.022 -2.161 9.484 1.00 0.27 C ATOM 63 CG GLN A 4 5.502 -1.963 9.147 1.00 0.40 C ATOM 64 CD GLN A 4 6.026 -0.726 9.881 1.00 0.36 C ATOM 65 OE1 GLN A 4 5.709 0.395 9.538 1.00 1.08 O ATOM 66 NE2 GLN A 4 6.831 -0.887 10.895 1.00 1.29 N ATOM 0 H GLN A 4 1.702 -3.269 9.602 1.00 0.19 H new ATOM 0 HA GLN A 4 3.357 -2.089 7.430 1.00 0.11 H new ATOM 0 HB2 GLN A 4 3.566 -1.206 9.746 1.00 0.27 H new ATOM 0 HB3 GLN A 4 3.918 -2.813 10.351 1.00 0.27 H new ATOM 0 HG2 GLN A 4 6.074 -2.843 9.439 1.00 0.40 H new ATOM 0 HG3 GLN A 4 5.629 -1.843 8.071 1.00 0.40 H new ATOM 0 HE21 GLN A 4 7.101 -1.826 11.188 1.00 1.29 H new ATOM 0 HE22 GLN A 4 7.190 -0.074 11.395 1.00 1.29 H new ATOM 75 N ILE A 5 4.740 -4.041 6.812 1.00 0.06 N ATOM 76 CA ILE A 5 5.453 -5.272 6.350 1.00 0.14 C ATOM 77 C ILE A 5 6.946 -5.162 6.681 1.00 0.36 C ATOM 78 O ILE A 5 7.415 -4.118 7.092 1.00 0.54 O ATOM 79 CB ILE A 5 5.277 -5.405 4.831 1.00 0.18 C ATOM 80 CG1 ILE A 5 3.789 -5.220 4.476 1.00 0.23 C ATOM 81 CG2 ILE A 5 5.769 -6.790 4.355 1.00 0.20 C ATOM 82 CD1 ILE A 5 2.931 -6.191 5.298 1.00 0.30 C ATOM 0 H ILE A 5 4.885 -3.212 6.236 1.00 0.06 H new ATOM 0 HA ILE A 5 5.039 -6.146 6.853 1.00 0.14 H new ATOM 0 HB ILE A 5 5.869 -4.639 4.330 1.00 0.18 H new ATOM 0 HG12 ILE A 5 3.484 -4.193 4.676 1.00 0.23 H new ATOM 0 HG13 ILE A 5 3.635 -5.397 3.412 1.00 0.23 H new ATOM 0 HG21 ILE A 5 5.639 -6.871 3.276 1.00 0.20 H new ATOM 0 HG22 ILE A 5 6.824 -6.906 4.603 1.00 0.20 H new ATOM 0 HG23 ILE A 5 5.192 -7.571 4.850 1.00 0.20 H new ATOM 0 HD11 ILE A 5 1.880 -6.055 5.042 1.00 0.30 H new ATOM 0 HD12 ILE A 5 3.228 -7.216 5.077 1.00 0.30 H new ATOM 0 HD13 ILE A 5 3.074 -5.993 6.360 1.00 0.30 H new ATOM 94 N GLU A 6 7.661 -6.238 6.492 1.00 0.37 N ATOM 95 CA GLU A 6 9.125 -6.213 6.793 1.00 0.58 C ATOM 96 C GLU A 6 9.893 -7.025 5.746 1.00 0.61 C ATOM 97 O GLU A 6 10.923 -6.599 5.261 1.00 0.96 O ATOM 98 CB GLU A 6 9.360 -6.816 8.177 1.00 0.68 C ATOM 99 CG GLU A 6 8.514 -6.059 9.203 1.00 1.69 C ATOM 100 CD GLU A 6 9.101 -6.271 10.599 1.00 1.73 C ATOM 101 OE1 GLU A 6 10.026 -5.539 10.914 1.00 2.70 O ATOM 102 OE2 GLU A 6 8.592 -7.150 11.274 1.00 1.22 O ATOM 0 H GLU A 6 7.301 -7.127 6.145 1.00 0.37 H new ATOM 0 HA GLU A 6 9.480 -5.183 6.770 1.00 0.58 H new ATOM 0 HB2 GLU A 6 9.094 -7.873 8.177 1.00 0.68 H new ATOM 0 HB3 GLU A 6 10.416 -6.753 8.440 1.00 0.68 H new ATOM 0 HG2 GLU A 6 8.495 -4.996 8.962 1.00 1.69 H new ATOM 0 HG3 GLU A 6 7.483 -6.412 9.172 1.00 1.69 H new ATOM 109 N SER A 7 9.373 -8.178 5.424 1.00 0.27 N ATOM 110 CA SER A 7 10.053 -9.037 4.409 1.00 0.28 C ATOM 111 C SER A 7 9.012 -9.678 3.487 1.00 0.13 C ATOM 112 O SER A 7 7.830 -9.421 3.609 1.00 0.13 O ATOM 113 CB SER A 7 10.842 -10.131 5.129 1.00 0.36 C ATOM 114 OG SER A 7 9.913 -10.674 6.056 1.00 0.41 O ATOM 0 H SER A 7 8.513 -8.562 5.816 1.00 0.27 H new ATOM 0 HA SER A 7 10.729 -8.427 3.810 1.00 0.28 H new ATOM 0 HB2 SER A 7 11.199 -10.889 4.432 1.00 0.36 H new ATOM 0 HB3 SER A 7 11.718 -9.724 5.634 1.00 0.36 H new ATOM 0 HG SER A 7 10.342 -11.393 6.566 1.00 0.41 H new ATOM 120 N LYS A 8 9.469 -10.499 2.585 1.00 0.24 N ATOM 121 CA LYS A 8 8.512 -11.160 1.651 1.00 0.38 C ATOM 122 C LYS A 8 7.663 -12.183 2.403 1.00 0.42 C ATOM 123 O LYS A 8 6.540 -12.460 2.030 1.00 0.45 O ATOM 124 CB LYS A 8 9.294 -11.860 0.542 1.00 0.56 C ATOM 125 CG LYS A 8 8.308 -12.466 -0.459 1.00 0.75 C ATOM 126 CD LYS A 8 9.084 -13.026 -1.651 1.00 0.58 C ATOM 127 CE LYS A 8 8.117 -13.771 -2.573 1.00 1.57 C ATOM 128 NZ LYS A 8 7.578 -14.981 -1.891 1.00 2.47 N ATOM 0 H LYS A 8 10.451 -10.740 2.453 1.00 0.24 H new ATOM 0 HA LYS A 8 7.854 -10.406 1.219 1.00 0.38 H new ATOM 0 HB2 LYS A 8 9.951 -11.150 0.040 1.00 0.56 H new ATOM 0 HB3 LYS A 8 9.929 -12.639 0.964 1.00 0.56 H new ATOM 0 HG2 LYS A 8 7.728 -13.257 0.017 1.00 0.75 H new ATOM 0 HG3 LYS A 8 7.600 -11.708 -0.794 1.00 0.75 H new ATOM 0 HD2 LYS A 8 9.574 -12.218 -2.194 1.00 0.58 H new ATOM 0 HD3 LYS A 8 9.869 -13.699 -1.306 1.00 0.58 H new ATOM 0 HE2 LYS A 8 7.298 -13.112 -2.860 1.00 1.57 H new ATOM 0 HE3 LYS A 8 8.629 -14.061 -3.490 1.00 1.57 H new ATOM 0 HZ1 LYS A 8 7.225 -15.652 -2.603 1.00 2.47 H new ATOM 0 HZ2 LYS A 8 8.333 -15.431 -1.334 1.00 2.47 H new ATOM 0 HZ3 LYS A 8 6.799 -14.705 -1.259 1.00 2.47 H new ATOM 142 N THR A 9 8.219 -12.720 3.445 1.00 0.67 N ATOM 143 CA THR A 9 7.465 -13.726 4.239 1.00 0.89 C ATOM 144 C THR A 9 6.161 -13.117 4.748 1.00 0.82 C ATOM 145 O THR A 9 5.132 -13.761 4.768 1.00 0.86 O ATOM 146 CB THR A 9 8.320 -14.176 5.428 1.00 1.12 C ATOM 147 OG1 THR A 9 9.437 -14.836 4.842 1.00 1.14 O ATOM 148 CG2 THR A 9 7.609 -15.245 6.254 1.00 1.44 C ATOM 0 H THR A 9 9.158 -12.509 3.783 1.00 0.67 H new ATOM 0 HA THR A 9 7.234 -14.584 3.608 1.00 0.89 H new ATOM 0 HB THR A 9 8.555 -13.322 6.063 1.00 1.12 H new ATOM 0 HG1 THR A 9 10.037 -15.154 5.549 1.00 1.14 H new ATOM 0 HG21 THR A 9 8.244 -15.541 7.089 1.00 1.44 H new ATOM 0 HG22 THR A 9 6.670 -14.845 6.636 1.00 1.44 H new ATOM 0 HG23 THR A 9 7.405 -16.113 5.627 1.00 1.44 H new ATOM 156 N ALA A 10 6.241 -11.887 5.149 1.00 0.76 N ATOM 157 CA ALA A 10 5.030 -11.199 5.658 1.00 0.74 C ATOM 158 C ALA A 10 4.149 -10.750 4.494 1.00 0.57 C ATOM 159 O ALA A 10 2.971 -11.043 4.454 1.00 0.55 O ATOM 160 CB ALA A 10 5.455 -9.981 6.468 1.00 0.80 C ATOM 0 H ALA A 10 7.093 -11.326 5.147 1.00 0.76 H new ATOM 0 HA ALA A 10 4.463 -11.887 6.285 1.00 0.74 H new ATOM 0 HB1 ALA A 10 4.570 -9.469 6.846 1.00 0.80 H new ATOM 0 HB2 ALA A 10 6.076 -10.299 7.305 1.00 0.80 H new ATOM 0 HB3 ALA A 10 6.024 -9.302 5.833 1.00 0.80 H new ATOM 166 N PHE A 11 4.744 -10.042 3.570 1.00 0.47 N ATOM 167 CA PHE A 11 3.963 -9.562 2.395 1.00 0.31 C ATOM 168 C PHE A 11 3.063 -10.684 1.872 1.00 0.31 C ATOM 169 O PHE A 11 2.028 -10.433 1.297 1.00 0.22 O ATOM 170 CB PHE A 11 4.933 -9.132 1.294 1.00 0.21 C ATOM 171 CG PHE A 11 4.147 -8.530 0.126 1.00 0.11 C ATOM 172 CD1 PHE A 11 3.446 -7.346 0.287 1.00 0.13 C ATOM 173 CD2 PHE A 11 4.125 -9.162 -1.105 1.00 0.15 C ATOM 174 CE1 PHE A 11 2.740 -6.804 -0.769 1.00 0.16 C ATOM 175 CE2 PHE A 11 3.418 -8.618 -2.157 1.00 0.17 C ATOM 176 CZ PHE A 11 2.726 -7.441 -1.989 1.00 0.17 C ATOM 0 H PHE A 11 5.729 -9.778 3.578 1.00 0.47 H new ATOM 0 HA PHE A 11 3.341 -8.718 2.693 1.00 0.31 H new ATOM 0 HB2 PHE A 11 5.642 -8.401 1.684 1.00 0.21 H new ATOM 0 HB3 PHE A 11 5.514 -9.988 0.952 1.00 0.21 H new ATOM 0 HD1 PHE A 11 3.452 -6.844 1.243 1.00 0.13 H new ATOM 0 HD2 PHE A 11 4.665 -10.087 -1.243 1.00 0.15 H new ATOM 0 HE1 PHE A 11 2.198 -5.879 -0.637 1.00 0.16 H new ATOM 0 HE2 PHE A 11 3.408 -9.117 -3.115 1.00 0.17 H new ATOM 0 HZ PHE A 11 2.172 -7.017 -2.814 1.00 0.17 H new ATOM 186 N GLN A 12 3.484 -11.898 2.081 1.00 0.44 N ATOM 187 CA GLN A 12 2.664 -13.053 1.601 1.00 0.49 C ATOM 188 C GLN A 12 1.465 -13.280 2.522 1.00 0.54 C ATOM 189 O GLN A 12 0.341 -13.391 2.076 1.00 0.46 O ATOM 190 CB GLN A 12 3.534 -14.308 1.575 1.00 0.66 C ATOM 191 CG GLN A 12 4.329 -14.341 0.269 1.00 0.48 C ATOM 192 CD GLN A 12 3.538 -15.117 -0.786 1.00 0.49 C ATOM 193 OE1 GLN A 12 3.180 -14.591 -1.821 1.00 0.76 O ATOM 194 NE2 GLN A 12 3.247 -16.370 -0.564 1.00 1.88 N ATOM 0 H GLN A 12 4.351 -12.144 2.558 1.00 0.44 H new ATOM 0 HA GLN A 12 2.295 -12.834 0.599 1.00 0.49 H new ATOM 0 HB2 GLN A 12 4.213 -14.313 2.428 1.00 0.66 H new ATOM 0 HB3 GLN A 12 2.911 -15.199 1.658 1.00 0.66 H new ATOM 0 HG2 GLN A 12 4.522 -13.326 -0.078 1.00 0.48 H new ATOM 0 HG3 GLN A 12 5.299 -14.812 0.432 1.00 0.48 H new ATOM 0 HE21 GLN A 12 3.545 -16.817 0.303 1.00 1.88 H new ATOM 0 HE22 GLN A 12 2.722 -16.902 -1.258 1.00 1.88 H new ATOM 203 N GLU A 13 1.739 -13.346 3.786 1.00 0.69 N ATOM 204 CA GLU A 13 0.643 -13.583 4.774 1.00 0.79 C ATOM 205 C GLU A 13 -0.457 -12.520 4.640 1.00 0.68 C ATOM 206 O GLU A 13 -1.625 -12.844 4.549 1.00 0.64 O ATOM 207 CB GLU A 13 1.226 -13.530 6.185 1.00 1.09 C ATOM 208 CG GLU A 13 2.251 -14.654 6.345 1.00 0.76 C ATOM 209 CD GLU A 13 1.561 -15.889 6.930 1.00 0.81 C ATOM 210 OE1 GLU A 13 1.373 -15.884 8.135 1.00 1.29 O ATOM 211 OE2 GLU A 13 1.261 -16.766 6.137 1.00 1.70 O ATOM 0 H GLU A 13 2.672 -13.247 4.186 1.00 0.69 H new ATOM 0 HA GLU A 13 0.203 -14.561 4.580 1.00 0.79 H new ATOM 0 HB2 GLU A 13 1.697 -12.563 6.361 1.00 1.09 H new ATOM 0 HB3 GLU A 13 0.432 -13.637 6.924 1.00 1.09 H new ATOM 0 HG2 GLU A 13 2.697 -14.895 5.380 1.00 0.76 H new ATOM 0 HG3 GLU A 13 3.061 -14.332 6.999 1.00 0.76 H new ATOM 218 N ALA A 14 -0.064 -11.277 4.632 1.00 0.76 N ATOM 219 CA ALA A 14 -1.082 -10.190 4.516 1.00 0.73 C ATOM 220 C ALA A 14 -2.051 -10.488 3.369 1.00 0.52 C ATOM 221 O ALA A 14 -3.253 -10.412 3.531 1.00 0.54 O ATOM 222 CB ALA A 14 -0.371 -8.864 4.251 1.00 0.79 C ATOM 0 H ALA A 14 0.905 -10.967 4.700 1.00 0.76 H new ATOM 0 HA ALA A 14 -1.647 -10.130 5.446 1.00 0.73 H new ATOM 0 HB1 ALA A 14 -1.109 -8.066 4.165 1.00 0.79 H new ATOM 0 HB2 ALA A 14 0.307 -8.644 5.075 1.00 0.79 H new ATOM 0 HB3 ALA A 14 0.197 -8.935 3.323 1.00 0.79 H new ATOM 228 N LEU A 15 -1.508 -10.820 2.233 1.00 0.39 N ATOM 229 CA LEU A 15 -2.384 -11.124 1.067 1.00 0.23 C ATOM 230 C LEU A 15 -3.143 -12.432 1.306 1.00 0.16 C ATOM 231 O LEU A 15 -4.122 -12.718 0.646 1.00 0.19 O ATOM 232 CB LEU A 15 -1.519 -11.252 -0.190 1.00 0.13 C ATOM 233 CG LEU A 15 -0.648 -9.994 -0.340 1.00 0.12 C ATOM 234 CD1 LEU A 15 0.327 -10.196 -1.497 1.00 0.27 C ATOM 235 CD2 LEU A 15 -1.526 -8.773 -0.633 1.00 0.21 C ATOM 0 H LEU A 15 -0.505 -10.894 2.061 1.00 0.39 H new ATOM 0 HA LEU A 15 -3.106 -10.318 0.937 1.00 0.23 H new ATOM 0 HB2 LEU A 15 -0.888 -12.139 -0.122 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.151 -11.377 -1.069 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.102 -9.826 0.588 1.00 0.12 H new ATOM 0 HD11 LEU A 15 0.948 -9.307 -1.609 1.00 0.27 H new ATOM 0 HD12 LEU A 15 0.961 -11.058 -1.292 1.00 0.27 H new ATOM 0 HD13 LEU A 15 -0.231 -10.367 -2.418 1.00 0.27 H new ATOM 0 HD21 LEU A 15 -0.897 -7.889 -0.737 1.00 0.21 H new ATOM 0 HD22 LEU A 15 -2.079 -8.936 -1.558 1.00 0.21 H new ATOM 0 HD23 LEU A 15 -2.228 -8.624 0.188 1.00 0.21 H new ATOM 247 N ASP A 16 -2.672 -13.197 2.248 1.00 0.17 N ATOM 248 CA ASP A 16 -3.352 -14.491 2.554 1.00 0.18 C ATOM 249 C ASP A 16 -4.333 -14.312 3.716 1.00 0.18 C ATOM 250 O ASP A 16 -5.188 -15.145 3.943 1.00 0.24 O ATOM 251 CB ASP A 16 -2.303 -15.536 2.928 1.00 0.28 C ATOM 252 CG ASP A 16 -2.943 -16.926 2.905 1.00 0.46 C ATOM 253 OD1 ASP A 16 -3.089 -17.437 1.806 1.00 0.84 O ATOM 254 OD2 ASP A 16 -3.251 -17.398 3.986 1.00 1.89 O ATOM 0 H ASP A 16 -1.852 -12.988 2.817 1.00 0.17 H new ATOM 0 HA ASP A 16 -3.904 -14.820 1.674 1.00 0.18 H new ATOM 0 HB2 ASP A 16 -1.468 -15.496 2.229 1.00 0.28 H new ATOM 0 HB3 ASP A 16 -1.900 -15.325 3.918 1.00 0.28 H new ATOM 259 N ALA A 17 -4.184 -13.226 4.424 1.00 0.30 N ATOM 260 CA ALA A 17 -5.095 -12.965 5.581 1.00 0.36 C ATOM 261 C ALA A 17 -6.141 -11.913 5.202 1.00 0.40 C ATOM 262 O ALA A 17 -7.061 -11.651 5.949 1.00 0.48 O ATOM 263 CB ALA A 17 -4.269 -12.455 6.761 1.00 0.52 C ATOM 0 H ALA A 17 -3.477 -12.511 4.255 1.00 0.30 H new ATOM 0 HA ALA A 17 -5.605 -13.889 5.853 1.00 0.36 H new ATOM 0 HB1 ALA A 17 -4.926 -12.262 7.609 1.00 0.52 H new ATOM 0 HB2 ALA A 17 -3.529 -13.206 7.039 1.00 0.52 H new ATOM 0 HB3 ALA A 17 -3.762 -11.533 6.478 1.00 0.52 H new ATOM 269 N ALA A 18 -5.974 -11.331 4.046 1.00 0.39 N ATOM 270 CA ALA A 18 -6.949 -10.292 3.602 1.00 0.51 C ATOM 271 C ALA A 18 -8.064 -10.931 2.769 1.00 0.52 C ATOM 272 O ALA A 18 -8.809 -10.247 2.096 1.00 0.75 O ATOM 273 CB ALA A 18 -6.218 -9.250 2.758 1.00 0.49 C ATOM 0 H ALA A 18 -5.213 -11.526 3.395 1.00 0.39 H new ATOM 0 HA ALA A 18 -7.392 -9.819 4.478 1.00 0.51 H new ATOM 0 HB1 ALA A 18 -6.924 -8.487 2.430 1.00 0.49 H new ATOM 0 HB2 ALA A 18 -5.433 -8.785 3.354 1.00 0.49 H new ATOM 0 HB3 ALA A 18 -5.775 -9.733 1.887 1.00 0.49 H new ATOM 279 N GLY A 19 -8.156 -12.232 2.830 1.00 0.39 N ATOM 280 CA GLY A 19 -9.214 -12.926 2.044 1.00 0.49 C ATOM 281 C GLY A 19 -9.062 -12.607 0.557 1.00 0.45 C ATOM 282 O GLY A 19 -8.108 -13.018 -0.073 1.00 0.37 O ATOM 0 H GLY A 19 -7.551 -12.838 3.384 1.00 0.39 H new ATOM 0 HA2 GLY A 19 -9.147 -14.003 2.201 1.00 0.49 H new ATOM 0 HA3 GLY A 19 -10.199 -12.614 2.391 1.00 0.49 H new ATOM 286 N ASP A 20 -10.009 -11.881 0.029 1.00 0.58 N ATOM 287 CA ASP A 20 -9.937 -11.517 -1.419 1.00 0.56 C ATOM 288 C ASP A 20 -10.415 -10.075 -1.629 1.00 0.58 C ATOM 289 O ASP A 20 -10.493 -9.602 -2.744 1.00 0.75 O ATOM 290 CB ASP A 20 -10.826 -12.469 -2.219 1.00 0.73 C ATOM 291 CG ASP A 20 -10.800 -13.854 -1.570 1.00 1.47 C ATOM 292 OD1 ASP A 20 -9.839 -14.557 -1.833 1.00 2.66 O ATOM 293 OD2 ASP A 20 -11.744 -14.130 -0.847 1.00 1.54 O ATOM 0 H ASP A 20 -10.823 -11.526 0.530 1.00 0.58 H new ATOM 0 HA ASP A 20 -8.904 -11.598 -1.757 1.00 0.56 H new ATOM 0 HB2 ASP A 20 -11.847 -12.090 -2.252 1.00 0.73 H new ATOM 0 HB3 ASP A 20 -10.476 -12.531 -3.249 1.00 0.73 H new ATOM 298 N LYS A 21 -10.722 -9.407 -0.550 1.00 0.51 N ATOM 299 CA LYS A 21 -11.193 -7.995 -0.673 1.00 0.51 C ATOM 300 C LYS A 21 -10.104 -7.135 -1.321 1.00 0.48 C ATOM 301 O LYS A 21 -9.042 -7.623 -1.651 1.00 0.77 O ATOM 302 CB LYS A 21 -11.509 -7.452 0.719 1.00 0.52 C ATOM 303 CG LYS A 21 -12.790 -8.121 1.240 1.00 0.54 C ATOM 304 CD LYS A 21 -12.592 -8.566 2.698 1.00 0.62 C ATOM 305 CE LYS A 21 -12.407 -7.333 3.590 1.00 1.66 C ATOM 306 NZ LYS A 21 -11.187 -7.477 4.432 1.00 2.82 N ATOM 0 H LYS A 21 -10.669 -9.771 0.401 1.00 0.51 H new ATOM 0 HA LYS A 21 -12.087 -7.964 -1.296 1.00 0.51 H new ATOM 0 HB2 LYS A 21 -10.679 -7.650 1.397 1.00 0.52 H new ATOM 0 HB3 LYS A 21 -11.638 -6.370 0.680 1.00 0.52 H new ATOM 0 HG2 LYS A 21 -13.627 -7.426 1.173 1.00 0.54 H new ATOM 0 HG3 LYS A 21 -13.040 -8.981 0.619 1.00 0.54 H new ATOM 0 HD2 LYS A 21 -13.453 -9.144 3.033 1.00 0.62 H new ATOM 0 HD3 LYS A 21 -11.722 -9.217 2.775 1.00 0.62 H new ATOM 0 HE2 LYS A 21 -12.326 -6.439 2.972 1.00 1.66 H new ATOM 0 HE3 LYS A 21 -13.282 -7.203 4.227 1.00 1.66 H new ATOM 0 HZ1 LYS A 21 -11.217 -6.785 5.208 1.00 2.82 H new ATOM 0 HZ2 LYS A 21 -11.149 -8.439 4.827 1.00 2.82 H new ATOM 0 HZ3 LYS A 21 -10.342 -7.308 3.850 1.00 2.82 H new ATOM 320 N LEU A 22 -10.391 -5.873 -1.495 1.00 0.22 N ATOM 321 CA LEU A 22 -9.376 -4.972 -2.115 1.00 0.18 C ATOM 322 C LEU A 22 -8.148 -4.877 -1.201 1.00 0.19 C ATOM 323 O LEU A 22 -8.281 -4.723 -0.002 1.00 0.19 O ATOM 324 CB LEU A 22 -10.001 -3.582 -2.308 1.00 0.26 C ATOM 325 CG LEU A 22 -8.942 -2.588 -2.814 1.00 1.21 C ATOM 326 CD1 LEU A 22 -8.313 -3.121 -4.104 1.00 1.56 C ATOM 327 CD2 LEU A 22 -9.618 -1.246 -3.105 1.00 1.84 C ATOM 0 H LEU A 22 -11.273 -5.430 -1.238 1.00 0.22 H new ATOM 0 HA LEU A 22 -9.064 -5.368 -3.081 1.00 0.18 H new ATOM 0 HB2 LEU A 22 -10.824 -3.641 -3.020 1.00 0.26 H new ATOM 0 HB3 LEU A 22 -10.420 -3.230 -1.365 1.00 0.26 H new ATOM 0 HG LEU A 22 -8.168 -2.461 -2.057 1.00 1.21 H new ATOM 0 HD11 LEU A 22 -7.563 -2.416 -4.461 1.00 1.56 H new ATOM 0 HD12 LEU A 22 -7.841 -4.084 -3.908 1.00 1.56 H new ATOM 0 HD13 LEU A 22 -9.086 -3.243 -4.862 1.00 1.56 H new ATOM 0 HD21 LEU A 22 -8.875 -0.534 -3.464 1.00 1.84 H new ATOM 0 HD22 LEU A 22 -10.387 -1.383 -3.866 1.00 1.84 H new ATOM 0 HD23 LEU A 22 -10.075 -0.863 -2.192 1.00 1.84 H new ATOM 339 N VAL A 23 -6.978 -4.975 -1.788 1.00 0.20 N ATOM 340 CA VAL A 23 -5.730 -4.902 -0.968 1.00 0.22 C ATOM 341 C VAL A 23 -4.750 -3.912 -1.601 1.00 0.24 C ATOM 342 O VAL A 23 -4.086 -4.226 -2.568 1.00 0.30 O ATOM 343 CB VAL A 23 -5.103 -6.297 -0.921 1.00 0.26 C ATOM 344 CG1 VAL A 23 -4.163 -6.404 0.283 1.00 0.26 C ATOM 345 CG2 VAL A 23 -6.216 -7.339 -0.790 1.00 0.24 C ATOM 0 H VAL A 23 -6.835 -5.101 -2.790 1.00 0.20 H new ATOM 0 HA VAL A 23 -5.963 -4.562 0.041 1.00 0.22 H new ATOM 0 HB VAL A 23 -4.535 -6.472 -1.835 1.00 0.26 H new ATOM 0 HG11 VAL A 23 -3.720 -7.399 0.311 1.00 0.26 H new ATOM 0 HG12 VAL A 23 -3.374 -5.657 0.196 1.00 0.26 H new ATOM 0 HG13 VAL A 23 -4.726 -6.231 1.200 1.00 0.26 H new ATOM 0 HG21 VAL A 23 -5.778 -8.337 -0.756 1.00 0.24 H new ATOM 0 HG22 VAL A 23 -6.778 -7.158 0.126 1.00 0.24 H new ATOM 0 HG23 VAL A 23 -6.886 -7.266 -1.647 1.00 0.24 H new ATOM 355 N VAL A 24 -4.678 -2.737 -1.034 1.00 0.22 N ATOM 356 CA VAL A 24 -3.757 -1.702 -1.596 1.00 0.24 C ATOM 357 C VAL A 24 -2.481 -1.604 -0.752 1.00 0.29 C ATOM 358 O VAL A 24 -2.505 -1.846 0.438 1.00 0.58 O ATOM 359 CB VAL A 24 -4.476 -0.355 -1.591 1.00 0.22 C ATOM 360 CG1 VAL A 24 -3.550 0.713 -2.168 1.00 0.25 C ATOM 361 CG2 VAL A 24 -5.733 -0.453 -2.457 1.00 0.18 C ATOM 0 H VAL A 24 -5.211 -2.449 -0.213 1.00 0.22 H new ATOM 0 HA VAL A 24 -3.479 -1.980 -2.613 1.00 0.24 H new ATOM 0 HB VAL A 24 -4.751 -0.089 -0.570 1.00 0.22 H new ATOM 0 HG11 VAL A 24 -4.060 1.676 -2.166 1.00 0.25 H new ATOM 0 HG12 VAL A 24 -2.648 0.779 -1.560 1.00 0.25 H new ATOM 0 HG13 VAL A 24 -3.280 0.447 -3.190 1.00 0.25 H new ATOM 0 HG21 VAL A 24 -6.251 0.506 -2.457 1.00 0.18 H new ATOM 0 HG22 VAL A 24 -5.452 -0.714 -3.477 1.00 0.18 H new ATOM 0 HG23 VAL A 24 -6.393 -1.221 -2.055 1.00 0.18 H new ATOM 371 N VAL A 25 -1.389 -1.250 -1.396 1.00 0.09 N ATOM 372 CA VAL A 25 -0.092 -1.124 -0.651 1.00 0.08 C ATOM 373 C VAL A 25 0.507 0.262 -0.853 1.00 0.10 C ATOM 374 O VAL A 25 0.485 0.797 -1.945 1.00 0.28 O ATOM 375 CB VAL A 25 0.906 -2.161 -1.171 1.00 0.07 C ATOM 376 CG1 VAL A 25 2.217 -2.028 -0.391 1.00 0.11 C ATOM 377 CG2 VAL A 25 0.351 -3.568 -0.972 1.00 0.09 C ATOM 0 H VAL A 25 -1.340 -1.045 -2.394 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.290 -1.286 0.408 1.00 0.08 H new ATOM 0 HB VAL A 25 1.079 -1.990 -2.233 1.00 0.07 H new ATOM 0 HG11 VAL A 25 2.934 -2.764 -0.756 1.00 0.11 H new ATOM 0 HG12 VAL A 25 2.623 -1.026 -0.530 1.00 0.11 H new ATOM 0 HG13 VAL A 25 2.029 -2.199 0.669 1.00 0.11 H new ATOM 0 HG21 VAL A 25 1.069 -4.298 -1.345 1.00 0.09 H new ATOM 0 HG22 VAL A 25 0.174 -3.743 0.089 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.587 -3.670 -1.518 1.00 0.09 H new ATOM 387 N ASP A 26 1.033 0.814 0.209 1.00 0.10 N ATOM 388 CA ASP A 26 1.664 2.162 0.104 1.00 0.09 C ATOM 389 C ASP A 26 3.191 2.023 0.164 1.00 0.08 C ATOM 390 O ASP A 26 3.777 2.032 1.230 1.00 0.07 O ATOM 391 CB ASP A 26 1.187 3.028 1.267 1.00 0.08 C ATOM 392 CG ASP A 26 2.003 4.323 1.305 1.00 0.14 C ATOM 393 OD1 ASP A 26 1.937 5.034 0.316 1.00 1.00 O ATOM 394 OD2 ASP A 26 2.646 4.528 2.323 1.00 1.38 O ATOM 0 H ASP A 26 1.053 0.393 1.138 1.00 0.10 H new ATOM 0 HA ASP A 26 1.382 2.625 -0.842 1.00 0.09 H new ATOM 0 HB2 ASP A 26 0.127 3.256 1.154 1.00 0.08 H new ATOM 0 HB3 ASP A 26 1.298 2.487 2.207 1.00 0.08 H new ATOM 399 N PHE A 27 3.798 1.885 -0.981 1.00 0.11 N ATOM 400 CA PHE A 27 5.284 1.748 -1.014 1.00 0.11 C ATOM 401 C PHE A 27 5.939 3.119 -0.831 1.00 0.10 C ATOM 402 O PHE A 27 6.094 3.866 -1.777 1.00 0.09 O ATOM 403 CB PHE A 27 5.698 1.159 -2.357 1.00 0.12 C ATOM 404 CG PHE A 27 5.376 -0.335 -2.382 1.00 0.13 C ATOM 405 CD1 PHE A 27 6.259 -1.250 -1.835 1.00 0.13 C ATOM 406 CD2 PHE A 27 4.198 -0.794 -2.953 1.00 0.13 C ATOM 407 CE1 PHE A 27 5.974 -2.598 -1.860 1.00 0.14 C ATOM 408 CE2 PHE A 27 3.922 -2.147 -2.974 1.00 0.14 C ATOM 409 CZ PHE A 27 4.809 -3.045 -2.428 1.00 0.15 C ATOM 0 H PHE A 27 3.336 1.861 -1.890 1.00 0.11 H new ATOM 0 HA PHE A 27 5.607 1.091 -0.206 1.00 0.11 H new ATOM 0 HB2 PHE A 27 5.174 1.668 -3.166 1.00 0.12 H new ATOM 0 HB3 PHE A 27 6.764 1.314 -2.521 1.00 0.12 H new ATOM 0 HD1 PHE A 27 7.178 -0.905 -1.385 1.00 0.13 H new ATOM 0 HD2 PHE A 27 3.497 -0.093 -3.381 1.00 0.13 H new ATOM 0 HE1 PHE A 27 6.670 -3.304 -1.431 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.005 -2.502 -3.421 1.00 0.14 H new ATOM 0 HZ PHE A 27 4.588 -4.102 -2.447 1.00 0.15 H new ATOM 419 N SER A 28 6.312 3.421 0.383 1.00 0.12 N ATOM 420 CA SER A 28 6.953 4.744 0.640 1.00 0.12 C ATOM 421 C SER A 28 7.997 4.626 1.756 1.00 0.15 C ATOM 422 O SER A 28 8.326 3.539 2.188 1.00 0.11 O ATOM 423 CB SER A 28 5.878 5.747 1.052 1.00 0.15 C ATOM 424 OG SER A 28 6.475 7.013 0.816 1.00 1.50 O ATOM 0 H SER A 28 6.203 2.819 1.199 1.00 0.12 H new ATOM 0 HA SER A 28 7.451 5.081 -0.269 1.00 0.12 H new ATOM 0 HB2 SER A 28 4.969 5.620 0.465 1.00 0.15 H new ATOM 0 HB3 SER A 28 5.601 5.626 2.099 1.00 0.15 H new ATOM 0 HG SER A 28 5.843 7.723 1.056 1.00 1.50 H new ATOM 430 N ALA A 29 8.491 5.756 2.197 1.00 0.25 N ATOM 431 CA ALA A 29 9.517 5.744 3.285 1.00 0.30 C ATOM 432 C ALA A 29 8.889 6.195 4.609 1.00 0.34 C ATOM 433 O ALA A 29 8.215 7.204 4.666 1.00 0.34 O ATOM 434 CB ALA A 29 10.649 6.699 2.911 1.00 0.36 C ATOM 0 H ALA A 29 8.231 6.680 1.854 1.00 0.25 H new ATOM 0 HA ALA A 29 9.904 4.732 3.404 1.00 0.30 H new ATOM 0 HB1 ALA A 29 11.402 6.697 3.699 1.00 0.36 H new ATOM 0 HB2 ALA A 29 11.103 6.376 1.974 1.00 0.36 H new ATOM 0 HB3 ALA A 29 10.251 7.707 2.793 1.00 0.36 H new ATOM 440 N THR A 30 9.124 5.436 5.645 1.00 0.37 N ATOM 441 CA THR A 30 8.549 5.811 6.971 1.00 0.42 C ATOM 442 C THR A 30 9.567 6.626 7.772 1.00 0.45 C ATOM 443 O THR A 30 9.208 7.469 8.569 1.00 0.48 O ATOM 444 CB THR A 30 8.187 4.540 7.743 1.00 0.58 C ATOM 445 OG1 THR A 30 7.441 4.997 8.866 1.00 0.61 O ATOM 446 CG2 THR A 30 9.427 3.868 8.328 1.00 0.66 C ATOM 0 H THR A 30 9.682 4.582 5.633 1.00 0.37 H new ATOM 0 HA THR A 30 7.654 6.415 6.817 1.00 0.42 H new ATOM 0 HB THR A 30 7.671 3.840 7.086 1.00 0.58 H new ATOM 0 HG1 THR A 30 7.170 4.230 9.413 1.00 0.61 H new ATOM 0 HG21 THR A 30 9.132 2.969 8.869 1.00 0.66 H new ATOM 0 HG22 THR A 30 10.110 3.599 7.522 1.00 0.66 H new ATOM 0 HG23 THR A 30 9.926 4.556 9.011 1.00 0.66 H new ATOM 454 N TRP A 31 10.816 6.350 7.540 1.00 0.49 N ATOM 455 CA TRP A 31 11.887 7.090 8.268 1.00 0.60 C ATOM 456 C TRP A 31 11.982 8.531 7.752 1.00 0.56 C ATOM 457 O TRP A 31 12.039 9.470 8.522 1.00 0.63 O ATOM 458 CB TRP A 31 13.210 6.382 8.011 1.00 0.69 C ATOM 459 CG TRP A 31 13.390 6.238 6.500 1.00 0.62 C ATOM 460 CD1 TRP A 31 12.907 5.225 5.788 1.00 0.55 C ATOM 461 CD2 TRP A 31 14.006 7.112 5.718 1.00 0.62 C ATOM 462 NE1 TRP A 31 13.260 5.524 4.531 1.00 0.50 N ATOM 463 CE2 TRP A 31 13.956 6.700 4.399 1.00 0.55 C ATOM 464 CE3 TRP A 31 14.633 8.312 6.032 1.00 0.71 C ATOM 465 CZ2 TRP A 31 14.521 7.469 3.408 1.00 0.58 C ATOM 466 CZ3 TRP A 31 15.198 9.078 5.034 1.00 0.74 C ATOM 467 CH2 TRP A 31 15.143 8.656 3.725 1.00 0.68 C ATOM 0 H TRP A 31 11.145 5.646 6.880 1.00 0.49 H new ATOM 0 HA TRP A 31 11.659 7.113 9.334 1.00 0.60 H new ATOM 0 HB2 TRP A 31 14.035 6.951 8.439 1.00 0.69 H new ATOM 0 HB3 TRP A 31 13.216 5.403 8.489 1.00 0.69 H new ATOM 0 HD1 TRP A 31 12.359 4.364 6.140 1.00 0.55 H new ATOM 0 HE1 TRP A 31 13.030 4.927 3.737 1.00 0.50 H new ATOM 0 HE3 TRP A 31 14.678 8.645 7.058 1.00 0.71 H new ATOM 0 HZ2 TRP A 31 14.477 7.141 2.380 1.00 0.58 H new ATOM 0 HZ3 TRP A 31 15.684 10.010 5.280 1.00 0.74 H new ATOM 0 HH2 TRP A 31 15.588 9.257 2.946 1.00 0.68 H new ATOM 478 N CYS A 32 11.996 8.669 6.453 1.00 0.50 N ATOM 479 CA CYS A 32 12.101 10.030 5.854 1.00 0.55 C ATOM 480 C CYS A 32 11.064 10.969 6.472 1.00 0.54 C ATOM 481 O CYS A 32 10.246 10.557 7.270 1.00 0.63 O ATOM 482 CB CYS A 32 11.864 9.933 4.349 1.00 0.52 C ATOM 483 SG CYS A 32 12.307 11.373 3.343 1.00 0.91 S ATOM 0 H CYS A 32 11.940 7.901 5.784 1.00 0.50 H new ATOM 0 HA CYS A 32 13.096 10.429 6.052 1.00 0.55 H new ATOM 0 HB2 CYS A 32 12.422 9.075 3.974 1.00 0.52 H new ATOM 0 HB3 CYS A 32 10.807 9.721 4.187 1.00 0.52 H new ATOM 0 HG CYS A 32 12.103 11.104 2.087 1.00 0.91 H new ATOM 489 N GLY A 33 11.126 12.216 6.086 1.00 0.46 N ATOM 490 CA GLY A 33 10.153 13.208 6.632 1.00 0.46 C ATOM 491 C GLY A 33 9.008 13.465 5.632 1.00 0.46 C ATOM 492 O GLY A 33 7.881 13.077 5.864 1.00 0.47 O ATOM 0 H GLY A 33 11.803 12.589 5.421 1.00 0.46 H new ATOM 0 HA2 GLY A 33 9.743 12.841 7.573 1.00 0.46 H new ATOM 0 HA3 GLY A 33 10.667 14.144 6.851 1.00 0.46 H new ATOM 496 N PRO A 34 9.333 14.119 4.531 1.00 0.45 N ATOM 497 CA PRO A 34 8.338 14.439 3.495 1.00 0.44 C ATOM 498 C PRO A 34 7.548 13.196 3.067 1.00 0.43 C ATOM 499 O PRO A 34 6.343 13.244 2.927 1.00 0.66 O ATOM 500 CB PRO A 34 9.151 14.987 2.317 1.00 0.44 C ATOM 501 CG PRO A 34 10.620 15.165 2.812 1.00 0.45 C ATOM 502 CD PRO A 34 10.701 14.575 4.233 1.00 0.45 C ATOM 0 HA PRO A 34 7.601 15.154 3.861 1.00 0.44 H new ATOM 0 HB2 PRO A 34 9.111 14.302 1.470 1.00 0.44 H new ATOM 0 HB3 PRO A 34 8.742 15.938 1.977 1.00 0.44 H new ATOM 0 HG2 PRO A 34 11.315 14.655 2.144 1.00 0.45 H new ATOM 0 HG3 PRO A 34 10.898 16.219 2.817 1.00 0.45 H new ATOM 0 HD2 PRO A 34 11.412 13.750 4.278 1.00 0.45 H new ATOM 0 HD3 PRO A 34 11.034 15.322 4.953 1.00 0.45 H new ATOM 510 N CYS A 35 8.240 12.111 2.862 1.00 0.31 N ATOM 511 CA CYS A 35 7.529 10.870 2.438 1.00 0.29 C ATOM 512 C CYS A 35 6.455 10.494 3.466 1.00 0.26 C ATOM 513 O CYS A 35 5.423 9.957 3.117 1.00 0.29 O ATOM 514 CB CYS A 35 8.536 9.729 2.313 1.00 0.28 C ATOM 515 SG CYS A 35 10.155 10.122 1.607 1.00 0.79 S ATOM 0 H CYS A 35 9.251 12.027 2.967 1.00 0.31 H new ATOM 0 HA CYS A 35 7.049 11.047 1.476 1.00 0.29 H new ATOM 0 HB2 CYS A 35 8.694 9.309 3.306 1.00 0.28 H new ATOM 0 HB3 CYS A 35 8.084 8.946 1.704 1.00 0.28 H new ATOM 0 HG CYS A 35 10.828 10.853 2.445 1.00 0.79 H new ATOM 521 N LYS A 36 6.717 10.785 4.713 1.00 0.23 N ATOM 522 CA LYS A 36 5.718 10.445 5.760 1.00 0.20 C ATOM 523 C LYS A 36 4.681 11.568 5.880 1.00 0.13 C ATOM 524 O LYS A 36 3.784 11.502 6.694 1.00 0.10 O ATOM 525 CB LYS A 36 6.446 10.260 7.101 1.00 0.31 C ATOM 526 CG LYS A 36 5.528 9.533 8.113 1.00 0.20 C ATOM 527 CD LYS A 36 5.171 10.464 9.282 1.00 1.54 C ATOM 528 CE LYS A 36 6.363 10.570 10.244 1.00 1.30 C ATOM 529 NZ LYS A 36 5.979 11.330 11.466 1.00 2.36 N ATOM 0 H LYS A 36 7.568 11.237 5.046 1.00 0.23 H new ATOM 0 HA LYS A 36 5.203 9.523 5.490 1.00 0.20 H new ATOM 0 HB2 LYS A 36 7.360 9.685 6.950 1.00 0.31 H new ATOM 0 HB3 LYS A 36 6.742 11.231 7.499 1.00 0.31 H new ATOM 0 HG2 LYS A 36 4.618 9.201 7.614 1.00 0.20 H new ATOM 0 HG3 LYS A 36 6.028 8.641 8.491 1.00 0.20 H new ATOM 0 HD2 LYS A 36 4.907 11.452 8.905 1.00 1.54 H new ATOM 0 HD3 LYS A 36 4.298 10.081 9.811 1.00 1.54 H new ATOM 0 HE2 LYS A 36 6.705 9.573 10.521 1.00 1.30 H new ATOM 0 HE3 LYS A 36 7.197 11.066 9.747 1.00 1.30 H new ATOM 0 HZ1 LYS A 36 6.796 11.393 12.107 1.00 2.36 H new ATOM 0 HZ2 LYS A 36 5.675 12.288 11.198 1.00 2.36 H new ATOM 0 HZ3 LYS A 36 5.198 10.841 11.948 1.00 2.36 H new ATOM 543 N MET A 37 4.832 12.582 5.066 1.00 0.26 N ATOM 544 CA MET A 37 3.857 13.714 5.116 1.00 0.41 C ATOM 545 C MET A 37 2.589 13.330 4.353 1.00 0.55 C ATOM 546 O MET A 37 1.505 13.776 4.674 1.00 0.64 O ATOM 547 CB MET A 37 4.484 14.951 4.476 1.00 0.37 C ATOM 548 CG MET A 37 3.734 16.198 4.952 1.00 0.64 C ATOM 549 SD MET A 37 4.047 17.744 4.065 1.00 1.46 S ATOM 550 CE MET A 37 2.505 17.775 3.115 1.00 2.94 C ATOM 0 H MET A 37 5.578 12.675 4.377 1.00 0.26 H new ATOM 0 HA MET A 37 3.603 13.931 6.154 1.00 0.41 H new ATOM 0 HB2 MET A 37 5.538 15.020 4.746 1.00 0.37 H new ATOM 0 HB3 MET A 37 4.437 14.876 3.390 1.00 0.37 H new ATOM 0 HG2 MET A 37 2.665 15.989 4.900 1.00 0.64 H new ATOM 0 HG3 MET A 37 3.977 16.357 6.003 1.00 0.64 H new ATOM 0 HE1 MET A 37 2.484 18.664 2.484 1.00 2.94 H new ATOM 0 HE2 MET A 37 2.445 16.884 2.489 1.00 2.94 H new ATOM 0 HE3 MET A 37 1.657 17.796 3.799 1.00 2.94 H new ATOM 560 N ILE A 38 2.757 12.509 3.357 1.00 0.62 N ATOM 561 CA ILE A 38 1.577 12.058 2.563 1.00 0.79 C ATOM 562 C ILE A 38 0.954 10.827 3.245 1.00 0.79 C ATOM 563 O ILE A 38 -0.118 10.388 2.897 1.00 0.61 O ATOM 564 CB ILE A 38 2.054 11.739 1.122 1.00 0.85 C ATOM 565 CG1 ILE A 38 1.417 12.743 0.156 1.00 1.18 C ATOM 566 CG2 ILE A 38 1.652 10.319 0.691 1.00 1.69 C ATOM 567 CD1 ILE A 38 1.911 14.153 0.493 1.00 0.46 C ATOM 0 H ILE A 38 3.655 12.130 3.057 1.00 0.62 H new ATOM 0 HA ILE A 38 0.812 12.833 2.512 1.00 0.79 H new ATOM 0 HB ILE A 38 3.142 11.808 1.102 1.00 0.85 H new ATOM 0 HG12 ILE A 38 1.676 12.491 -0.872 1.00 1.18 H new ATOM 0 HG13 ILE A 38 0.331 12.698 0.231 1.00 1.18 H new ATOM 0 HG21 ILE A 38 2.004 10.133 -0.324 1.00 1.69 H new ATOM 0 HG22 ILE A 38 2.100 9.592 1.369 1.00 1.69 H new ATOM 0 HG23 ILE A 38 0.567 10.223 0.722 1.00 1.69 H new ATOM 0 HD11 ILE A 38 1.460 14.870 -0.193 1.00 0.46 H new ATOM 0 HD12 ILE A 38 1.629 14.402 1.516 1.00 0.46 H new ATOM 0 HD13 ILE A 38 2.996 14.191 0.396 1.00 0.46 H new ATOM 579 N LYS A 39 1.641 10.316 4.227 1.00 1.02 N ATOM 580 CA LYS A 39 1.118 9.123 4.953 1.00 1.05 C ATOM 581 C LYS A 39 -0.232 9.419 5.662 1.00 0.96 C ATOM 582 O LYS A 39 -1.200 8.731 5.428 1.00 0.98 O ATOM 583 CB LYS A 39 2.149 8.660 5.979 1.00 1.17 C ATOM 584 CG LYS A 39 2.741 7.317 5.531 1.00 2.05 C ATOM 585 CD LYS A 39 3.767 6.846 6.569 1.00 2.21 C ATOM 586 CE LYS A 39 3.859 5.322 6.530 1.00 2.66 C ATOM 587 NZ LYS A 39 4.938 4.845 7.441 1.00 2.82 N ATOM 0 H LYS A 39 2.538 10.670 4.558 1.00 1.02 H new ATOM 0 HA LYS A 39 0.938 8.337 4.219 1.00 1.05 H new ATOM 0 HB2 LYS A 39 2.939 9.404 6.079 1.00 1.17 H new ATOM 0 HB3 LYS A 39 1.683 8.557 6.959 1.00 1.17 H new ATOM 0 HG2 LYS A 39 1.950 6.575 5.422 1.00 2.05 H new ATOM 0 HG3 LYS A 39 3.215 7.423 4.555 1.00 2.05 H new ATOM 0 HD2 LYS A 39 4.742 7.286 6.360 1.00 2.21 H new ATOM 0 HD3 LYS A 39 3.474 7.179 7.565 1.00 2.21 H new ATOM 0 HE2 LYS A 39 2.905 4.886 6.826 1.00 2.66 H new ATOM 0 HE3 LYS A 39 4.060 4.989 5.512 1.00 2.66 H new ATOM 0 HZ1 LYS A 39 5.305 3.934 7.098 1.00 2.82 H new ATOM 0 HZ2 LYS A 39 5.709 5.543 7.462 1.00 2.82 H new ATOM 0 HZ3 LYS A 39 4.554 4.725 8.400 1.00 2.82 H new ATOM 601 N PRO A 40 -0.280 10.445 6.517 1.00 0.94 N ATOM 602 CA PRO A 40 -1.518 10.775 7.241 1.00 0.90 C ATOM 603 C PRO A 40 -2.737 10.793 6.305 1.00 0.74 C ATOM 604 O PRO A 40 -3.863 10.853 6.758 1.00 0.78 O ATOM 605 CB PRO A 40 -1.270 12.154 7.856 1.00 0.96 C ATOM 606 CG PRO A 40 0.250 12.457 7.699 1.00 1.04 C ATOM 607 CD PRO A 40 0.850 11.351 6.808 1.00 1.03 C ATOM 0 HA PRO A 40 -1.746 10.027 8.000 1.00 0.90 H new ATOM 0 HB2 PRO A 40 -1.868 12.914 7.353 1.00 0.96 H new ATOM 0 HB3 PRO A 40 -1.559 12.165 8.907 1.00 0.96 H new ATOM 0 HG2 PRO A 40 0.401 13.438 7.248 1.00 1.04 H new ATOM 0 HG3 PRO A 40 0.741 12.474 8.672 1.00 1.04 H new ATOM 0 HD2 PRO A 40 1.270 11.766 5.892 1.00 1.03 H new ATOM 0 HD3 PRO A 40 1.657 10.826 7.319 1.00 1.03 H new ATOM 615 N PHE A 41 -2.493 10.740 5.024 1.00 0.59 N ATOM 616 CA PHE A 41 -3.640 10.733 4.067 1.00 0.39 C ATOM 617 C PHE A 41 -4.028 9.283 3.745 1.00 0.31 C ATOM 618 O PHE A 41 -5.193 8.942 3.701 1.00 0.26 O ATOM 619 CB PHE A 41 -3.240 11.468 2.787 1.00 0.35 C ATOM 620 CG PHE A 41 -3.233 12.974 3.053 1.00 0.35 C ATOM 621 CD1 PHE A 41 -2.096 13.598 3.540 1.00 0.56 C ATOM 622 CD2 PHE A 41 -4.364 13.736 2.813 1.00 0.16 C ATOM 623 CE1 PHE A 41 -2.092 14.957 3.780 1.00 0.56 C ATOM 624 CE2 PHE A 41 -4.356 15.094 3.054 1.00 0.19 C ATOM 625 CZ PHE A 41 -3.221 15.703 3.536 1.00 0.37 C ATOM 0 H PHE A 41 -1.565 10.702 4.602 1.00 0.59 H new ATOM 0 HA PHE A 41 -4.496 11.239 4.514 1.00 0.39 H new ATOM 0 HB2 PHE A 41 -2.254 11.140 2.458 1.00 0.35 H new ATOM 0 HB3 PHE A 41 -3.939 11.232 1.984 1.00 0.35 H new ATOM 0 HD1 PHE A 41 -1.206 13.017 3.733 1.00 0.56 H new ATOM 0 HD2 PHE A 41 -5.258 13.264 2.435 1.00 0.16 H new ATOM 0 HE1 PHE A 41 -1.201 15.435 4.160 1.00 0.56 H new ATOM 0 HE2 PHE A 41 -5.243 15.680 2.864 1.00 0.19 H new ATOM 0 HZ PHE A 41 -3.216 16.767 3.723 1.00 0.37 H new ATOM 635 N PHE A 42 -3.034 8.462 3.527 1.00 0.32 N ATOM 636 CA PHE A 42 -3.311 7.022 3.229 1.00 0.27 C ATOM 637 C PHE A 42 -3.462 6.253 4.546 1.00 0.24 C ATOM 638 O PHE A 42 -3.932 5.132 4.573 1.00 0.39 O ATOM 639 CB PHE A 42 -2.135 6.448 2.432 1.00 0.35 C ATOM 640 CG PHE A 42 -2.333 4.943 2.221 1.00 0.34 C ATOM 641 CD1 PHE A 42 -3.235 4.481 1.279 1.00 0.32 C ATOM 642 CD2 PHE A 42 -1.611 4.022 2.968 1.00 0.35 C ATOM 643 CE1 PHE A 42 -3.410 3.127 1.085 1.00 0.33 C ATOM 644 CE2 PHE A 42 -1.792 2.669 2.772 1.00 0.35 C ATOM 645 CZ PHE A 42 -2.690 2.222 1.831 1.00 0.35 C ATOM 0 H PHE A 42 -2.048 8.722 3.542 1.00 0.32 H new ATOM 0 HA PHE A 42 -4.230 6.930 2.650 1.00 0.27 H new ATOM 0 HB2 PHE A 42 -2.057 6.952 1.469 1.00 0.35 H new ATOM 0 HB3 PHE A 42 -1.201 6.630 2.964 1.00 0.35 H new ATOM 0 HD1 PHE A 42 -3.806 5.185 0.692 1.00 0.32 H new ATOM 0 HD2 PHE A 42 -0.903 4.367 3.707 1.00 0.35 H new ATOM 0 HE1 PHE A 42 -4.114 2.776 0.345 1.00 0.33 H new ATOM 0 HE2 PHE A 42 -1.228 1.959 3.358 1.00 0.35 H new ATOM 0 HZ PHE A 42 -2.830 1.162 1.678 1.00 0.35 H new ATOM 655 N HIS A 43 -3.053 6.888 5.608 1.00 0.19 N ATOM 656 CA HIS A 43 -3.134 6.245 6.951 1.00 0.17 C ATOM 657 C HIS A 43 -4.520 6.474 7.574 1.00 0.23 C ATOM 658 O HIS A 43 -5.043 5.622 8.264 1.00 0.52 O ATOM 659 CB HIS A 43 -2.064 6.877 7.843 1.00 0.30 C ATOM 660 CG HIS A 43 -1.832 6.013 9.081 1.00 0.35 C ATOM 661 ND1 HIS A 43 -2.597 5.104 9.477 1.00 0.27 N ATOM 662 CD2 HIS A 43 -0.790 6.041 9.991 1.00 0.51 C ATOM 663 CE1 HIS A 43 -2.153 4.557 10.536 1.00 0.38 C ATOM 664 NE2 HIS A 43 -1.001 5.093 10.939 1.00 0.54 N ATOM 0 H HIS A 43 -2.663 7.831 5.605 1.00 0.19 H new ATOM 0 HA HIS A 43 -2.974 5.171 6.856 1.00 0.17 H new ATOM 0 HB2 HIS A 43 -1.133 6.985 7.286 1.00 0.30 H new ATOM 0 HB3 HIS A 43 -2.374 7.878 8.142 1.00 0.30 H new ATOM 0 HD1 HIS A 43 -3.464 4.837 9.011 1.00 0.27 H new ATOM 0 HD2 HIS A 43 0.056 6.711 9.953 1.00 0.51 H new ATOM 0 HE1 HIS A 43 -2.653 3.750 11.050 1.00 0.38 H new ATOM 672 N SER A 44 -5.078 7.626 7.312 1.00 0.12 N ATOM 673 CA SER A 44 -6.421 7.947 7.888 1.00 0.09 C ATOM 674 C SER A 44 -7.506 7.041 7.294 1.00 0.07 C ATOM 675 O SER A 44 -8.658 7.123 7.672 1.00 0.27 O ATOM 676 CB SER A 44 -6.755 9.406 7.577 1.00 0.14 C ATOM 677 OG SER A 44 -8.142 9.512 7.862 1.00 1.46 O ATOM 0 H SER A 44 -4.667 8.355 6.729 1.00 0.12 H new ATOM 0 HA SER A 44 -6.390 7.783 8.965 1.00 0.09 H new ATOM 0 HB2 SER A 44 -6.168 10.089 8.192 1.00 0.14 H new ATOM 0 HB3 SER A 44 -6.542 9.651 6.536 1.00 0.14 H new ATOM 0 HG SER A 44 -8.430 8.731 8.380 1.00 1.46 H new ATOM 683 N LEU A 45 -7.121 6.196 6.380 1.00 0.21 N ATOM 684 CA LEU A 45 -8.130 5.284 5.759 1.00 0.27 C ATOM 685 C LEU A 45 -8.316 4.034 6.624 1.00 0.27 C ATOM 686 O LEU A 45 -9.201 3.237 6.384 1.00 0.31 O ATOM 687 CB LEU A 45 -7.647 4.875 4.369 1.00 0.31 C ATOM 688 CG LEU A 45 -7.247 6.127 3.583 1.00 0.33 C ATOM 689 CD1 LEU A 45 -6.822 5.718 2.171 1.00 0.33 C ATOM 690 CD2 LEU A 45 -8.446 7.073 3.490 1.00 0.27 C ATOM 0 H LEU A 45 -6.166 6.095 6.037 1.00 0.21 H new ATOM 0 HA LEU A 45 -9.085 5.804 5.682 1.00 0.27 H new ATOM 0 HB2 LEU A 45 -6.798 4.197 4.452 1.00 0.31 H new ATOM 0 HB3 LEU A 45 -8.435 4.337 3.842 1.00 0.31 H new ATOM 0 HG LEU A 45 -6.422 6.629 4.089 1.00 0.33 H new ATOM 0 HD11 LEU A 45 -6.536 6.605 1.606 1.00 0.33 H new ATOM 0 HD12 LEU A 45 -5.974 5.036 2.230 1.00 0.33 H new ATOM 0 HD13 LEU A 45 -7.653 5.221 1.670 1.00 0.33 H new ATOM 0 HD21 LEU A 45 -8.163 7.965 2.931 1.00 0.27 H new ATOM 0 HD22 LEU A 45 -9.268 6.570 2.980 1.00 0.27 H new ATOM 0 HD23 LEU A 45 -8.763 7.359 4.493 1.00 0.27 H new ATOM 702 N SER A 46 -7.478 3.891 7.611 1.00 0.24 N ATOM 703 CA SER A 46 -7.588 2.699 8.502 1.00 0.25 C ATOM 704 C SER A 46 -8.978 2.637 9.150 1.00 0.23 C ATOM 705 O SER A 46 -9.618 1.603 9.150 1.00 0.24 O ATOM 706 CB SER A 46 -6.523 2.793 9.591 1.00 0.24 C ATOM 707 OG SER A 46 -7.268 2.850 10.799 1.00 1.23 O ATOM 0 H SER A 46 -6.726 4.541 7.840 1.00 0.24 H new ATOM 0 HA SER A 46 -7.440 1.796 7.909 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.857 1.930 9.573 1.00 0.24 H new ATOM 0 HB3 SER A 46 -5.900 3.679 9.464 1.00 0.24 H new ATOM 0 HG SER A 46 -6.653 2.911 11.560 1.00 1.23 H new ATOM 713 N GLU A 47 -9.414 3.743 9.688 1.00 0.47 N ATOM 714 CA GLU A 47 -10.755 3.759 10.348 1.00 0.46 C ATOM 715 C GLU A 47 -11.857 4.070 9.326 1.00 0.42 C ATOM 716 O GLU A 47 -12.913 3.470 9.349 1.00 0.38 O ATOM 717 CB GLU A 47 -10.761 4.828 11.441 1.00 0.55 C ATOM 718 CG GLU A 47 -9.944 4.331 12.636 1.00 0.67 C ATOM 719 CD GLU A 47 -10.894 3.881 13.747 1.00 1.41 C ATOM 720 OE1 GLU A 47 -11.401 2.780 13.613 1.00 2.56 O ATOM 721 OE2 GLU A 47 -11.061 4.664 14.668 1.00 1.52 O ATOM 0 H GLU A 47 -8.908 4.628 9.701 1.00 0.47 H new ATOM 0 HA GLU A 47 -10.948 2.777 10.780 1.00 0.46 H new ATOM 0 HB2 GLU A 47 -10.340 5.758 11.059 1.00 0.55 H new ATOM 0 HB3 GLU A 47 -11.784 5.044 11.749 1.00 0.55 H new ATOM 0 HG2 GLU A 47 -9.302 3.503 12.333 1.00 0.67 H new ATOM 0 HG3 GLU A 47 -9.291 5.124 13.000 1.00 0.67 H new ATOM 728 N LYS A 48 -11.588 5.002 8.454 1.00 0.46 N ATOM 729 CA LYS A 48 -12.614 5.364 7.433 1.00 0.45 C ATOM 730 C LYS A 48 -13.067 4.118 6.661 1.00 0.39 C ATOM 731 O LYS A 48 -14.200 3.694 6.777 1.00 0.38 O ATOM 732 CB LYS A 48 -12.020 6.383 6.460 1.00 0.50 C ATOM 733 CG LYS A 48 -13.050 7.484 6.203 1.00 0.74 C ATOM 734 CD LYS A 48 -12.514 8.441 5.135 1.00 1.35 C ATOM 735 CE LYS A 48 -13.667 9.294 4.603 1.00 1.18 C ATOM 736 NZ LYS A 48 -13.147 10.407 3.762 1.00 2.29 N ATOM 0 H LYS A 48 -10.713 5.524 8.403 1.00 0.46 H new ATOM 0 HA LYS A 48 -13.479 5.794 7.937 1.00 0.45 H new ATOM 0 HB2 LYS A 48 -11.107 6.811 6.874 1.00 0.50 H new ATOM 0 HB3 LYS A 48 -11.748 5.896 5.524 1.00 0.50 H new ATOM 0 HG2 LYS A 48 -13.993 7.046 5.875 1.00 0.74 H new ATOM 0 HG3 LYS A 48 -13.255 8.028 7.125 1.00 0.74 H new ATOM 0 HD2 LYS A 48 -11.738 9.079 5.557 1.00 1.35 H new ATOM 0 HD3 LYS A 48 -12.056 7.878 4.322 1.00 1.35 H new ATOM 0 HE2 LYS A 48 -14.346 8.674 4.017 1.00 1.18 H new ATOM 0 HE3 LYS A 48 -14.243 9.698 5.436 1.00 1.18 H new ATOM 0 HZ1 LYS A 48 -13.943 10.976 3.409 1.00 2.29 H new ATOM 0 HZ2 LYS A 48 -12.517 11.008 4.332 1.00 2.29 H new ATOM 0 HZ3 LYS A 48 -12.617 10.016 2.957 1.00 2.29 H new ATOM 750 N TYR A 49 -12.175 3.558 5.891 1.00 0.36 N ATOM 751 CA TYR A 49 -12.545 2.343 5.107 1.00 0.31 C ATOM 752 C TYR A 49 -12.245 1.077 5.916 1.00 0.27 C ATOM 753 O TYR A 49 -11.114 0.644 5.998 1.00 0.31 O ATOM 754 CB TYR A 49 -11.739 2.322 3.808 1.00 0.27 C ATOM 755 CG TYR A 49 -12.442 3.188 2.759 1.00 0.27 C ATOM 756 CD1 TYR A 49 -13.494 2.683 2.022 1.00 0.28 C ATOM 757 CD2 TYR A 49 -12.032 4.487 2.535 1.00 0.27 C ATOM 758 CE1 TYR A 49 -14.125 3.464 1.076 1.00 0.30 C ATOM 759 CE2 TYR A 49 -12.664 5.268 1.588 1.00 0.29 C ATOM 760 CZ TYR A 49 -13.716 4.763 0.852 1.00 0.31 C ATOM 761 OH TYR A 49 -14.347 5.543 -0.096 1.00 0.34 O ATOM 0 H TYR A 49 -11.216 3.884 5.770 1.00 0.36 H new ATOM 0 HA TYR A 49 -13.611 2.372 4.883 1.00 0.31 H new ATOM 0 HB2 TYR A 49 -10.731 2.695 3.987 1.00 0.27 H new ATOM 0 HB3 TYR A 49 -11.641 1.299 3.445 1.00 0.27 H new ATOM 0 HD1 TYR A 49 -13.826 1.669 2.187 1.00 0.28 H new ATOM 0 HD2 TYR A 49 -11.211 4.895 3.105 1.00 0.27 H new ATOM 0 HE1 TYR A 49 -14.946 3.055 0.506 1.00 0.30 H new ATOM 0 HE2 TYR A 49 -12.332 6.282 1.422 1.00 0.29 H new ATOM 0 HH TYR A 49 -13.930 6.430 -0.120 1.00 0.34 H new ATOM 771 N SER A 50 -13.269 0.511 6.498 1.00 0.22 N ATOM 772 CA SER A 50 -13.060 -0.728 7.304 1.00 0.21 C ATOM 773 C SER A 50 -13.331 -1.968 6.447 1.00 0.14 C ATOM 774 O SER A 50 -13.108 -3.083 6.875 1.00 0.15 O ATOM 775 CB SER A 50 -14.013 -0.715 8.497 1.00 0.26 C ATOM 776 OG SER A 50 -15.277 -1.041 7.936 1.00 0.45 O ATOM 0 H SER A 50 -14.231 0.848 6.452 1.00 0.22 H new ATOM 0 HA SER A 50 -12.028 -0.760 7.653 1.00 0.21 H new ATOM 0 HB2 SER A 50 -13.714 -1.440 9.254 1.00 0.26 H new ATOM 0 HB3 SER A 50 -14.032 0.261 8.981 1.00 0.26 H new ATOM 0 HG SER A 50 -15.955 -1.056 8.644 1.00 0.45 H new ATOM 782 N ASN A 51 -13.807 -1.743 5.253 1.00 0.09 N ATOM 783 CA ASN A 51 -14.101 -2.896 4.350 1.00 0.04 C ATOM 784 C ASN A 51 -12.939 -3.113 3.374 1.00 0.05 C ATOM 785 O ASN A 51 -13.090 -3.769 2.363 1.00 0.33 O ATOM 786 CB ASN A 51 -15.376 -2.599 3.562 1.00 0.10 C ATOM 787 CG ASN A 51 -15.861 -3.882 2.883 1.00 0.14 C ATOM 788 OD1 ASN A 51 -16.920 -3.922 2.290 1.00 1.31 O ATOM 789 ND2 ASN A 51 -15.115 -4.952 2.944 1.00 1.15 N ATOM 0 H ASN A 51 -14.004 -0.821 4.865 1.00 0.09 H new ATOM 0 HA ASN A 51 -14.233 -3.797 4.949 1.00 0.04 H new ATOM 0 HB2 ASN A 51 -16.147 -2.212 4.228 1.00 0.10 H new ATOM 0 HB3 ASN A 51 -15.185 -1.829 2.815 1.00 0.10 H new ATOM 0 HD21 ASN A 51 -15.423 -5.815 2.495 1.00 1.15 H new ATOM 0 HD22 ASN A 51 -14.224 -4.925 3.440 1.00 1.15 H new ATOM 796 N VAL A 52 -11.804 -2.552 3.699 1.00 0.25 N ATOM 797 CA VAL A 52 -10.620 -2.711 2.801 1.00 0.23 C ATOM 798 C VAL A 52 -9.348 -2.897 3.633 1.00 0.23 C ATOM 799 O VAL A 52 -9.273 -2.450 4.760 1.00 0.30 O ATOM 800 CB VAL A 52 -10.475 -1.456 1.936 1.00 0.22 C ATOM 801 CG1 VAL A 52 -9.317 -1.650 0.948 1.00 0.23 C ATOM 802 CG2 VAL A 52 -11.774 -1.223 1.159 1.00 0.23 C ATOM 0 H VAL A 52 -11.645 -1.996 4.539 1.00 0.25 H new ATOM 0 HA VAL A 52 -10.765 -3.588 2.170 1.00 0.23 H new ATOM 0 HB VAL A 52 -10.271 -0.595 2.572 1.00 0.22 H new ATOM 0 HG11 VAL A 52 -9.212 -0.758 0.331 1.00 0.23 H new ATOM 0 HG12 VAL A 52 -8.393 -1.821 1.500 1.00 0.23 H new ATOM 0 HG13 VAL A 52 -9.523 -2.510 0.310 1.00 0.23 H new ATOM 0 HG21 VAL A 52 -11.674 -0.330 0.542 1.00 0.23 H new ATOM 0 HG22 VAL A 52 -11.976 -2.084 0.521 1.00 0.23 H new ATOM 0 HG23 VAL A 52 -12.598 -1.089 1.860 1.00 0.23 H new ATOM 812 N ILE A 53 -8.373 -3.553 3.054 1.00 0.16 N ATOM 813 CA ILE A 53 -7.092 -3.776 3.789 1.00 0.18 C ATOM 814 C ILE A 53 -6.014 -2.841 3.231 1.00 0.17 C ATOM 815 O ILE A 53 -5.886 -2.683 2.030 1.00 0.24 O ATOM 816 CB ILE A 53 -6.658 -5.237 3.609 1.00 0.19 C ATOM 817 CG1 ILE A 53 -7.817 -6.174 4.011 1.00 0.27 C ATOM 818 CG2 ILE A 53 -5.421 -5.525 4.477 1.00 0.23 C ATOM 819 CD1 ILE A 53 -8.315 -5.826 5.424 1.00 1.51 C ATOM 0 H ILE A 53 -8.409 -3.941 2.111 1.00 0.16 H new ATOM 0 HA ILE A 53 -7.232 -3.566 4.849 1.00 0.18 H new ATOM 0 HB ILE A 53 -6.403 -5.412 2.564 1.00 0.19 H new ATOM 0 HG12 ILE A 53 -8.634 -6.081 3.296 1.00 0.27 H new ATOM 0 HG13 ILE A 53 -7.483 -7.211 3.980 1.00 0.27 H new ATOM 0 HG21 ILE A 53 -5.118 -6.564 4.345 1.00 0.23 H new ATOM 0 HG22 ILE A 53 -4.605 -4.868 4.177 1.00 0.23 H new ATOM 0 HG23 ILE A 53 -5.663 -5.348 5.525 1.00 0.23 H new ATOM 0 HD11 ILE A 53 -9.132 -6.494 5.696 1.00 1.51 H new ATOM 0 HD12 ILE A 53 -7.498 -5.943 6.137 1.00 1.51 H new ATOM 0 HD13 ILE A 53 -8.668 -4.795 5.442 1.00 1.51 H new ATOM 831 N PHE A 54 -5.265 -2.244 4.122 1.00 0.10 N ATOM 832 CA PHE A 54 -4.195 -1.296 3.688 1.00 0.12 C ATOM 833 C PHE A 54 -2.835 -1.733 4.240 1.00 0.14 C ATOM 834 O PHE A 54 -2.688 -1.953 5.423 1.00 0.21 O ATOM 835 CB PHE A 54 -4.538 0.089 4.223 1.00 0.13 C ATOM 836 CG PHE A 54 -5.911 0.502 3.695 1.00 0.11 C ATOM 837 CD1 PHE A 54 -6.033 1.152 2.481 1.00 0.19 C ATOM 838 CD2 PHE A 54 -7.051 0.228 4.428 1.00 0.17 C ATOM 839 CE1 PHE A 54 -7.274 1.524 2.008 1.00 0.27 C ATOM 840 CE2 PHE A 54 -8.292 0.599 3.953 1.00 0.25 C ATOM 841 CZ PHE A 54 -8.403 1.247 2.745 1.00 0.30 C ATOM 0 H PHE A 54 -5.348 -2.372 5.131 1.00 0.10 H new ATOM 0 HA PHE A 54 -4.137 -1.284 2.600 1.00 0.12 H new ATOM 0 HB2 PHE A 54 -4.541 0.081 5.313 1.00 0.13 H new ATOM 0 HB3 PHE A 54 -3.783 0.810 3.911 1.00 0.13 H new ATOM 0 HD1 PHE A 54 -5.150 1.370 1.899 1.00 0.19 H new ATOM 0 HD2 PHE A 54 -6.969 -0.279 5.378 1.00 0.17 H new ATOM 0 HE1 PHE A 54 -7.360 2.033 1.059 1.00 0.27 H new ATOM 0 HE2 PHE A 54 -9.178 0.380 4.531 1.00 0.25 H new ATOM 0 HZ PHE A 54 -9.375 1.538 2.375 1.00 0.30 H new ATOM 851 N LEU A 55 -1.871 -1.859 3.361 1.00 0.26 N ATOM 852 CA LEU A 55 -0.507 -2.272 3.815 1.00 0.28 C ATOM 853 C LEU A 55 0.436 -1.066 3.787 1.00 0.14 C ATOM 854 O LEU A 55 0.094 -0.009 3.287 1.00 0.20 O ATOM 855 CB LEU A 55 0.053 -3.349 2.883 1.00 0.35 C ATOM 856 CG LEU A 55 -0.693 -4.677 3.078 1.00 0.48 C ATOM 857 CD1 LEU A 55 -2.170 -4.507 2.721 1.00 0.69 C ATOM 858 CD2 LEU A 55 -0.084 -5.725 2.143 1.00 0.62 C ATOM 0 H LEU A 55 -1.968 -1.696 2.359 1.00 0.26 H new ATOM 0 HA LEU A 55 -0.583 -2.664 4.829 1.00 0.28 H new ATOM 0 HB2 LEU A 55 -0.038 -3.024 1.847 1.00 0.35 H new ATOM 0 HB3 LEU A 55 1.116 -3.491 3.080 1.00 0.35 H new ATOM 0 HG LEU A 55 -0.605 -4.989 4.119 1.00 0.48 H new ATOM 0 HD11 LEU A 55 -2.690 -5.454 2.863 1.00 0.69 H new ATOM 0 HD12 LEU A 55 -2.615 -3.749 3.365 1.00 0.69 H new ATOM 0 HD13 LEU A 55 -2.259 -4.196 1.680 1.00 0.69 H new ATOM 0 HD21 LEU A 55 -0.605 -6.674 2.271 1.00 0.62 H new ATOM 0 HD22 LEU A 55 -0.184 -5.393 1.110 1.00 0.62 H new ATOM 0 HD23 LEU A 55 0.972 -5.856 2.381 1.00 0.62 H new ATOM 870 N GLU A 56 1.609 -1.265 4.298 1.00 0.32 N ATOM 871 CA GLU A 56 2.605 -0.154 4.329 1.00 0.23 C ATOM 872 C GLU A 56 4.015 -0.740 4.226 1.00 0.20 C ATOM 873 O GLU A 56 4.486 -1.380 5.146 1.00 0.29 O ATOM 874 CB GLU A 56 2.463 0.604 5.648 1.00 0.37 C ATOM 875 CG GLU A 56 3.254 1.909 5.566 1.00 0.30 C ATOM 876 CD GLU A 56 3.599 2.377 6.981 1.00 0.84 C ATOM 877 OE1 GLU A 56 2.658 2.698 7.690 1.00 1.36 O ATOM 878 OE2 GLU A 56 4.782 2.385 7.275 1.00 1.57 O ATOM 0 H GLU A 56 1.929 -2.147 4.698 1.00 0.32 H new ATOM 0 HA GLU A 56 2.432 0.525 3.495 1.00 0.23 H new ATOM 0 HB2 GLU A 56 1.412 0.814 5.849 1.00 0.37 H new ATOM 0 HB3 GLU A 56 2.830 -0.006 6.473 1.00 0.37 H new ATOM 0 HG2 GLU A 56 4.165 1.760 4.987 1.00 0.30 H new ATOM 0 HG3 GLU A 56 2.669 2.671 5.050 1.00 0.30 H new ATOM 885 N VAL A 57 4.659 -0.508 3.110 1.00 0.10 N ATOM 886 CA VAL A 57 6.033 -1.071 2.925 1.00 0.12 C ATOM 887 C VAL A 57 7.099 0.021 3.047 1.00 0.13 C ATOM 888 O VAL A 57 6.941 1.113 2.534 1.00 0.10 O ATOM 889 CB VAL A 57 6.126 -1.710 1.543 1.00 0.13 C ATOM 890 CG1 VAL A 57 7.574 -2.122 1.284 1.00 0.24 C ATOM 891 CG2 VAL A 57 5.235 -2.951 1.500 1.00 0.16 C ATOM 0 H VAL A 57 4.300 0.039 2.328 1.00 0.10 H new ATOM 0 HA VAL A 57 6.211 -1.813 3.703 1.00 0.12 H new ATOM 0 HB VAL A 57 5.800 -0.999 0.784 1.00 0.13 H new ATOM 0 HG11 VAL A 57 7.651 -2.580 0.298 1.00 0.24 H new ATOM 0 HG12 VAL A 57 8.216 -1.242 1.326 1.00 0.24 H new ATOM 0 HG13 VAL A 57 7.890 -2.838 2.043 1.00 0.24 H new ATOM 0 HG21 VAL A 57 5.299 -3.411 0.514 1.00 0.16 H new ATOM 0 HG22 VAL A 57 5.567 -3.664 2.255 1.00 0.16 H new ATOM 0 HG23 VAL A 57 4.203 -2.665 1.701 1.00 0.16 H new ATOM 901 N ASP A 58 8.168 -0.307 3.727 1.00 0.17 N ATOM 902 CA ASP A 58 9.274 0.680 3.893 1.00 0.19 C ATOM 903 C ASP A 58 10.404 0.357 2.906 1.00 0.21 C ATOM 904 O ASP A 58 11.062 -0.658 3.024 1.00 0.23 O ATOM 905 CB ASP A 58 9.804 0.596 5.325 1.00 0.20 C ATOM 906 CG ASP A 58 10.755 1.768 5.589 1.00 0.21 C ATOM 907 OD1 ASP A 58 10.699 2.701 4.805 1.00 1.39 O ATOM 908 OD2 ASP A 58 11.485 1.663 6.562 1.00 1.00 O ATOM 0 H ASP A 58 8.321 -1.212 4.172 1.00 0.17 H new ATOM 0 HA ASP A 58 8.904 1.686 3.696 1.00 0.19 H new ATOM 0 HB2 ASP A 58 8.975 0.620 6.033 1.00 0.20 H new ATOM 0 HB3 ASP A 58 10.325 -0.350 5.476 1.00 0.20 H new ATOM 913 N VAL A 59 10.601 1.226 1.955 1.00 0.22 N ATOM 914 CA VAL A 59 11.677 0.980 0.948 1.00 0.25 C ATOM 915 C VAL A 59 13.060 1.078 1.601 1.00 0.24 C ATOM 916 O VAL A 59 14.068 1.054 0.923 1.00 0.32 O ATOM 917 CB VAL A 59 11.565 2.023 -0.162 1.00 0.24 C ATOM 918 CG1 VAL A 59 10.279 1.779 -0.954 1.00 0.28 C ATOM 919 CG2 VAL A 59 11.515 3.420 0.462 1.00 0.20 C ATOM 0 H VAL A 59 10.071 2.088 1.829 1.00 0.22 H new ATOM 0 HA VAL A 59 11.557 -0.023 0.537 1.00 0.25 H new ATOM 0 HB VAL A 59 12.426 1.947 -0.826 1.00 0.24 H new ATOM 0 HG11 VAL A 59 10.194 2.521 -1.748 1.00 0.28 H new ATOM 0 HG12 VAL A 59 10.305 0.781 -1.392 1.00 0.28 H new ATOM 0 HG13 VAL A 59 9.420 1.861 -0.288 1.00 0.28 H new ATOM 0 HG21 VAL A 59 11.435 4.168 -0.327 1.00 0.20 H new ATOM 0 HG22 VAL A 59 10.650 3.493 1.121 1.00 0.20 H new ATOM 0 HG23 VAL A 59 12.425 3.595 1.037 1.00 0.20 H new ATOM 929 N ASP A 60 13.077 1.182 2.904 1.00 0.38 N ATOM 930 CA ASP A 60 14.387 1.287 3.619 1.00 0.38 C ATOM 931 C ASP A 60 14.754 -0.052 4.270 1.00 0.36 C ATOM 932 O ASP A 60 15.860 -0.532 4.124 1.00 0.32 O ATOM 933 CB ASP A 60 14.276 2.361 4.700 1.00 0.45 C ATOM 934 CG ASP A 60 15.668 2.919 5.005 1.00 0.80 C ATOM 935 OD1 ASP A 60 16.381 2.233 5.719 1.00 0.30 O ATOM 936 OD2 ASP A 60 15.940 3.999 4.507 1.00 1.66 O ATOM 0 H ASP A 60 12.250 1.199 3.501 1.00 0.38 H new ATOM 0 HA ASP A 60 15.164 1.551 2.902 1.00 0.38 H new ATOM 0 HB2 ASP A 60 13.616 3.162 4.367 1.00 0.45 H new ATOM 0 HB3 ASP A 60 13.835 1.940 5.603 1.00 0.45 H new ATOM 941 N ASP A 61 13.814 -0.626 4.973 1.00 0.39 N ATOM 942 CA ASP A 61 14.096 -1.929 5.649 1.00 0.40 C ATOM 943 C ASP A 61 13.588 -3.103 4.803 1.00 0.34 C ATOM 944 O ASP A 61 14.034 -4.222 4.966 1.00 0.41 O ATOM 945 CB ASP A 61 13.398 -1.943 7.008 1.00 0.48 C ATOM 946 CG ASP A 61 13.224 -3.390 7.474 1.00 0.67 C ATOM 947 OD1 ASP A 61 14.239 -3.978 7.808 1.00 0.72 O ATOM 948 OD2 ASP A 61 12.085 -3.828 7.469 1.00 2.09 O ATOM 0 H ASP A 61 12.873 -0.256 5.108 1.00 0.39 H new ATOM 0 HA ASP A 61 15.173 -2.036 5.775 1.00 0.40 H new ATOM 0 HB2 ASP A 61 13.984 -1.383 7.736 1.00 0.48 H new ATOM 0 HB3 ASP A 61 12.427 -1.453 6.936 1.00 0.48 H new ATOM 953 N CYS A 62 12.666 -2.818 3.914 1.00 0.29 N ATOM 954 CA CYS A 62 12.107 -3.908 3.049 1.00 0.25 C ATOM 955 C CYS A 62 12.511 -3.690 1.586 1.00 0.27 C ATOM 956 O CYS A 62 11.701 -3.824 0.689 1.00 0.33 O ATOM 957 CB CYS A 62 10.585 -3.895 3.162 1.00 0.23 C ATOM 958 SG CYS A 62 9.872 -3.372 4.741 1.00 0.32 S ATOM 0 H CYS A 62 12.279 -1.889 3.750 1.00 0.29 H new ATOM 0 HA CYS A 62 12.502 -4.868 3.381 1.00 0.25 H new ATOM 0 HB2 CYS A 62 10.195 -3.240 2.383 1.00 0.23 H new ATOM 0 HB3 CYS A 62 10.222 -4.900 2.945 1.00 0.23 H new ATOM 0 HG CYS A 62 10.735 -3.569 5.693 1.00 0.32 H new ATOM 964 N GLN A 63 13.755 -3.364 1.377 1.00 0.24 N ATOM 965 CA GLN A 63 14.223 -3.136 -0.016 1.00 0.29 C ATOM 966 C GLN A 63 13.940 -4.371 -0.876 1.00 0.25 C ATOM 967 O GLN A 63 14.109 -4.347 -2.080 1.00 0.39 O ATOM 968 CB GLN A 63 15.725 -2.855 0.000 1.00 0.29 C ATOM 969 CG GLN A 63 15.998 -1.651 0.905 1.00 0.72 C ATOM 970 CD GLN A 63 17.510 -1.450 1.037 1.00 1.01 C ATOM 971 OE1 GLN A 63 18.288 -1.994 0.278 1.00 0.90 O ATOM 972 NE2 GLN A 63 17.967 -0.676 1.986 1.00 1.98 N ATOM 0 H GLN A 63 14.462 -3.247 2.103 1.00 0.24 H new ATOM 0 HA GLN A 63 13.692 -2.284 -0.440 1.00 0.29 H new ATOM 0 HB2 GLN A 63 16.267 -3.728 0.362 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.081 -2.655 -1.010 1.00 0.29 H new ATOM 0 HG2 GLN A 63 15.536 -0.756 0.488 1.00 0.72 H new ATOM 0 HG3 GLN A 63 15.554 -1.812 1.887 1.00 0.72 H new ATOM 0 HE21 GLN A 63 17.319 -0.217 2.626 1.00 1.98 H new ATOM 0 HE22 GLN A 63 18.972 -0.531 2.087 1.00 1.98 H new ATOM 981 N ASP A 64 13.515 -5.427 -0.238 1.00 0.21 N ATOM 982 CA ASP A 64 13.214 -6.669 -0.996 1.00 0.27 C ATOM 983 C ASP A 64 11.822 -6.588 -1.613 1.00 0.32 C ATOM 984 O ASP A 64 11.664 -6.640 -2.818 1.00 0.61 O ATOM 985 CB ASP A 64 13.287 -7.868 -0.052 1.00 0.26 C ATOM 986 CG ASP A 64 12.399 -7.612 1.167 1.00 0.31 C ATOM 987 OD1 ASP A 64 12.691 -6.649 1.857 1.00 1.24 O ATOM 988 OD2 ASP A 64 11.479 -8.393 1.339 1.00 1.58 O ATOM 0 H ASP A 64 13.365 -5.482 0.769 1.00 0.21 H new ATOM 0 HA ASP A 64 13.946 -6.784 -1.795 1.00 0.27 H new ATOM 0 HB2 ASP A 64 12.962 -8.771 -0.568 1.00 0.26 H new ATOM 0 HB3 ASP A 64 14.317 -8.034 0.263 1.00 0.26 H new ATOM 993 N VAL A 65 10.844 -6.463 -0.774 1.00 0.17 N ATOM 994 CA VAL A 65 9.452 -6.371 -1.280 1.00 0.21 C ATOM 995 C VAL A 65 9.353 -5.263 -2.321 1.00 0.21 C ATOM 996 O VAL A 65 8.604 -5.358 -3.273 1.00 0.36 O ATOM 997 CB VAL A 65 8.526 -6.070 -0.121 1.00 0.20 C ATOM 998 CG1 VAL A 65 7.077 -6.316 -0.550 1.00 0.26 C ATOM 999 CG2 VAL A 65 8.871 -6.992 1.050 1.00 0.18 C ATOM 0 H VAL A 65 10.945 -6.420 0.240 1.00 0.17 H new ATOM 0 HA VAL A 65 9.166 -7.316 -1.743 1.00 0.21 H new ATOM 0 HB VAL A 65 8.644 -5.030 0.182 1.00 0.20 H new ATOM 0 HG11 VAL A 65 6.409 -6.100 0.284 1.00 0.26 H new ATOM 0 HG12 VAL A 65 6.831 -5.667 -1.390 1.00 0.26 H new ATOM 0 HG13 VAL A 65 6.958 -7.357 -0.849 1.00 0.26 H new ATOM 0 HG21 VAL A 65 8.207 -6.780 1.888 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.748 -8.031 0.744 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.904 -6.823 1.354 1.00 0.18 H new ATOM 1009 N ALA A 66 10.114 -4.233 -2.112 1.00 0.07 N ATOM 1010 CA ALA A 66 10.101 -3.106 -3.074 1.00 0.06 C ATOM 1011 C ALA A 66 10.833 -3.514 -4.348 1.00 0.09 C ATOM 1012 O ALA A 66 10.396 -3.235 -5.445 1.00 0.14 O ATOM 1013 CB ALA A 66 10.798 -1.900 -2.447 1.00 0.11 C ATOM 0 H ALA A 66 10.744 -4.123 -1.317 1.00 0.07 H new ATOM 0 HA ALA A 66 9.071 -2.846 -3.318 1.00 0.06 H new ATOM 0 HB1 ALA A 66 10.791 -1.068 -3.152 1.00 0.11 H new ATOM 0 HB2 ALA A 66 10.273 -1.609 -1.537 1.00 0.11 H new ATOM 0 HB3 ALA A 66 11.828 -2.161 -2.204 1.00 0.11 H new ATOM 1019 N SER A 67 11.935 -4.172 -4.167 1.00 0.15 N ATOM 1020 CA SER A 67 12.728 -4.620 -5.341 1.00 0.21 C ATOM 1021 C SER A 67 11.960 -5.692 -6.116 1.00 0.21 C ATOM 1022 O SER A 67 12.326 -6.048 -7.219 1.00 0.31 O ATOM 1023 CB SER A 67 14.059 -5.192 -4.857 1.00 0.27 C ATOM 1024 OG SER A 67 14.810 -4.051 -4.472 1.00 1.48 O ATOM 0 H SER A 67 12.324 -4.421 -3.257 1.00 0.15 H new ATOM 0 HA SER A 67 12.908 -3.771 -6.000 1.00 0.21 H new ATOM 0 HB2 SER A 67 13.918 -5.876 -4.020 1.00 0.27 H new ATOM 0 HB3 SER A 67 14.562 -5.752 -5.645 1.00 0.27 H new ATOM 0 HG SER A 67 14.557 -3.784 -3.564 1.00 1.48 H new ATOM 1030 N GLU A 68 10.910 -6.184 -5.521 1.00 0.13 N ATOM 1031 CA GLU A 68 10.108 -7.226 -6.198 1.00 0.19 C ATOM 1032 C GLU A 68 9.118 -6.568 -7.157 1.00 0.19 C ATOM 1033 O GLU A 68 8.826 -7.090 -8.214 1.00 0.26 O ATOM 1034 CB GLU A 68 9.360 -8.043 -5.136 1.00 0.25 C ATOM 1035 CG GLU A 68 8.341 -8.972 -5.805 1.00 0.48 C ATOM 1036 CD GLU A 68 9.026 -9.779 -6.912 1.00 1.49 C ATOM 1037 OE1 GLU A 68 9.906 -10.544 -6.555 1.00 2.20 O ATOM 1038 OE2 GLU A 68 8.630 -9.584 -8.049 1.00 2.29 O ATOM 0 H GLU A 68 10.577 -5.907 -4.597 1.00 0.13 H new ATOM 0 HA GLU A 68 10.759 -7.887 -6.770 1.00 0.19 H new ATOM 0 HB2 GLU A 68 10.069 -8.629 -4.552 1.00 0.25 H new ATOM 0 HB3 GLU A 68 8.852 -7.373 -4.442 1.00 0.25 H new ATOM 0 HG2 GLU A 68 7.908 -9.646 -5.065 1.00 0.48 H new ATOM 0 HG3 GLU A 68 7.521 -8.388 -6.222 1.00 0.48 H new ATOM 1045 N CYS A 69 8.627 -5.435 -6.760 1.00 0.15 N ATOM 1046 CA CYS A 69 7.662 -4.707 -7.632 1.00 0.16 C ATOM 1047 C CYS A 69 8.425 -3.866 -8.655 1.00 0.17 C ATOM 1048 O CYS A 69 7.850 -3.317 -9.574 1.00 0.32 O ATOM 1049 CB CYS A 69 6.794 -3.798 -6.767 1.00 0.15 C ATOM 1050 SG CYS A 69 5.539 -4.591 -5.737 1.00 0.17 S ATOM 0 H CYS A 69 8.848 -4.979 -5.875 1.00 0.15 H new ATOM 0 HA CYS A 69 7.032 -5.424 -8.158 1.00 0.16 H new ATOM 0 HB2 CYS A 69 7.452 -3.223 -6.115 1.00 0.15 H new ATOM 0 HB3 CYS A 69 6.293 -3.086 -7.422 1.00 0.15 H new ATOM 0 HG CYS A 69 4.367 -4.116 -6.038 1.00 0.17 H new ATOM 1056 N GLU A 70 9.712 -3.786 -8.466 1.00 0.07 N ATOM 1057 CA GLU A 70 10.552 -2.995 -9.411 1.00 0.04 C ATOM 1058 C GLU A 70 10.228 -1.503 -9.304 1.00 0.07 C ATOM 1059 O GLU A 70 10.078 -0.828 -10.304 1.00 0.06 O ATOM 1060 CB GLU A 70 10.289 -3.474 -10.838 1.00 0.04 C ATOM 1061 CG GLU A 70 11.564 -3.300 -11.668 1.00 0.89 C ATOM 1062 CD GLU A 70 11.244 -3.532 -13.146 1.00 1.00 C ATOM 1063 OE1 GLU A 70 10.433 -4.410 -13.393 1.00 1.09 O ATOM 1064 OE2 GLU A 70 11.827 -2.817 -13.945 1.00 1.80 O ATOM 0 H GLU A 70 10.219 -4.232 -7.701 1.00 0.07 H new ATOM 0 HA GLU A 70 11.602 -3.140 -9.156 1.00 0.04 H new ATOM 0 HB2 GLU A 70 9.983 -4.520 -10.833 1.00 0.04 H new ATOM 0 HB3 GLU A 70 9.471 -2.905 -11.281 1.00 0.04 H new ATOM 0 HG2 GLU A 70 11.970 -2.299 -11.525 1.00 0.89 H new ATOM 0 HG3 GLU A 70 12.327 -4.004 -11.335 1.00 0.89 H new ATOM 1071 N VAL A 71 10.124 -1.017 -8.099 1.00 0.10 N ATOM 1072 CA VAL A 71 9.824 0.437 -7.931 1.00 0.13 C ATOM 1073 C VAL A 71 11.125 1.241 -7.967 1.00 0.25 C ATOM 1074 O VAL A 71 12.187 0.724 -7.681 1.00 0.33 O ATOM 1075 CB VAL A 71 9.123 0.671 -6.592 1.00 0.10 C ATOM 1076 CG1 VAL A 71 8.079 1.776 -6.756 1.00 0.05 C ATOM 1077 CG2 VAL A 71 8.424 -0.615 -6.149 1.00 0.14 C ATOM 0 H VAL A 71 10.231 -1.550 -7.236 1.00 0.10 H new ATOM 0 HA VAL A 71 9.173 0.761 -8.743 1.00 0.13 H new ATOM 0 HB VAL A 71 9.859 0.964 -5.843 1.00 0.10 H new ATOM 0 HG11 VAL A 71 7.577 1.946 -5.804 1.00 0.05 H new ATOM 0 HG12 VAL A 71 8.569 2.695 -7.077 1.00 0.05 H new ATOM 0 HG13 VAL A 71 7.346 1.476 -7.504 1.00 0.05 H new ATOM 0 HG21 VAL A 71 7.925 -0.448 -5.195 1.00 0.14 H new ATOM 0 HG22 VAL A 71 7.687 -0.905 -6.898 1.00 0.14 H new ATOM 0 HG23 VAL A 71 9.161 -1.410 -6.038 1.00 0.14 H new ATOM 1087 N LYS A 72 11.015 2.490 -8.317 1.00 0.28 N ATOM 1088 CA LYS A 72 12.233 3.344 -8.376 1.00 0.40 C ATOM 1089 C LYS A 72 11.887 4.772 -7.947 1.00 0.35 C ATOM 1090 O LYS A 72 12.597 5.710 -8.254 1.00 0.37 O ATOM 1091 CB LYS A 72 12.768 3.346 -9.810 1.00 0.52 C ATOM 1092 CG LYS A 72 13.915 2.336 -9.920 1.00 0.99 C ATOM 1093 CD LYS A 72 15.188 2.941 -9.319 1.00 2.18 C ATOM 1094 CE LYS A 72 16.113 3.387 -10.453 1.00 1.44 C ATOM 1095 NZ LYS A 72 15.395 4.308 -11.379 1.00 1.17 N ATOM 0 H LYS A 72 10.141 2.955 -8.563 1.00 0.28 H new ATOM 0 HA LYS A 72 12.993 2.950 -7.701 1.00 0.40 H new ATOM 0 HB2 LYS A 72 11.972 3.088 -10.508 1.00 0.52 H new ATOM 0 HB3 LYS A 72 13.118 4.343 -10.079 1.00 0.52 H new ATOM 0 HG2 LYS A 72 13.655 1.416 -9.397 1.00 0.99 H new ATOM 0 HG3 LYS A 72 14.083 2.072 -10.964 1.00 0.99 H new ATOM 0 HD2 LYS A 72 14.937 3.790 -8.683 1.00 2.18 H new ATOM 0 HD3 LYS A 72 15.692 2.208 -8.689 1.00 2.18 H new ATOM 0 HE2 LYS A 72 16.989 3.887 -10.040 1.00 1.44 H new ATOM 0 HE3 LYS A 72 16.472 2.516 -11.002 1.00 1.44 H new ATOM 0 HZ1 LYS A 72 16.075 4.734 -12.041 1.00 1.17 H new ATOM 0 HZ2 LYS A 72 14.679 3.775 -11.913 1.00 1.17 H new ATOM 0 HZ3 LYS A 72 14.930 5.059 -10.830 1.00 1.17 H new ATOM 1109 N CYS A 73 10.800 4.905 -7.238 1.00 0.28 N ATOM 1110 CA CYS A 73 10.385 6.263 -6.783 1.00 0.22 C ATOM 1111 C CYS A 73 9.236 6.163 -5.786 1.00 0.19 C ATOM 1112 O CYS A 73 8.303 5.408 -5.983 1.00 0.26 O ATOM 1113 CB CYS A 73 9.942 7.082 -7.995 1.00 0.20 C ATOM 1114 SG CYS A 73 9.019 6.217 -9.289 1.00 0.25 S ATOM 0 H CYS A 73 10.186 4.141 -6.956 1.00 0.28 H new ATOM 0 HA CYS A 73 11.229 6.749 -6.293 1.00 0.22 H new ATOM 0 HB2 CYS A 73 9.328 7.908 -7.637 1.00 0.20 H new ATOM 0 HB3 CYS A 73 10.831 7.519 -8.450 1.00 0.20 H new ATOM 0 HG CYS A 73 8.719 7.052 -10.239 1.00 0.25 H new ATOM 1120 N THR A 74 9.336 6.932 -4.736 1.00 0.14 N ATOM 1121 CA THR A 74 8.272 6.918 -3.691 1.00 0.12 C ATOM 1122 C THR A 74 7.642 8.323 -3.586 1.00 0.13 C ATOM 1123 O THR A 74 8.276 9.304 -3.919 1.00 0.15 O ATOM 1124 CB THR A 74 8.927 6.546 -2.354 1.00 0.13 C ATOM 1125 OG1 THR A 74 10.180 7.221 -2.369 1.00 0.14 O ATOM 1126 CG2 THR A 74 9.275 5.062 -2.299 1.00 0.20 C ATOM 0 H THR A 74 10.110 7.571 -4.556 1.00 0.14 H new ATOM 0 HA THR A 74 7.494 6.198 -3.945 1.00 0.12 H new ATOM 0 HB THR A 74 8.261 6.796 -1.528 1.00 0.13 H new ATOM 0 HG1 THR A 74 10.663 7.032 -1.538 1.00 0.14 H new ATOM 0 HG21 THR A 74 9.737 4.832 -1.339 1.00 0.20 H new ATOM 0 HG22 THR A 74 8.367 4.471 -2.415 1.00 0.20 H new ATOM 0 HG23 THR A 74 9.970 4.821 -3.103 1.00 0.20 H new ATOM 1134 N PRO A 75 6.399 8.403 -3.124 1.00 0.12 N ATOM 1135 CA PRO A 75 5.573 7.241 -2.724 1.00 0.12 C ATOM 1136 C PRO A 75 4.982 6.531 -3.953 1.00 0.13 C ATOM 1137 O PRO A 75 4.691 7.162 -4.956 1.00 0.16 O ATOM 1138 CB PRO A 75 4.435 7.845 -1.895 1.00 0.12 C ATOM 1139 CG PRO A 75 4.493 9.392 -2.093 1.00 0.13 C ATOM 1140 CD PRO A 75 5.758 9.702 -2.916 1.00 0.14 C ATOM 0 HA PRO A 75 6.160 6.502 -2.179 1.00 0.12 H new ATOM 0 HB2 PRO A 75 3.472 7.451 -2.219 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.547 7.587 -0.842 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.602 9.747 -2.610 1.00 0.13 H new ATOM 0 HG3 PRO A 75 4.527 9.902 -1.130 1.00 0.13 H new ATOM 0 HD2 PRO A 75 5.506 10.175 -3.865 1.00 0.14 H new ATOM 0 HD3 PRO A 75 6.418 10.387 -2.384 1.00 0.14 H new ATOM 1148 N THR A 76 4.818 5.235 -3.845 1.00 0.10 N ATOM 1149 CA THR A 76 4.231 4.462 -4.978 1.00 0.11 C ATOM 1150 C THR A 76 3.089 3.591 -4.453 1.00 0.10 C ATOM 1151 O THR A 76 3.233 2.919 -3.454 1.00 0.24 O ATOM 1152 CB THR A 76 5.313 3.582 -5.611 1.00 0.14 C ATOM 1153 OG1 THR A 76 6.145 4.492 -6.325 1.00 0.21 O ATOM 1154 CG2 THR A 76 4.733 2.649 -6.672 1.00 0.22 C ATOM 0 H THR A 76 5.065 4.683 -3.024 1.00 0.10 H new ATOM 0 HA THR A 76 3.845 5.147 -5.733 1.00 0.11 H new ATOM 0 HB THR A 76 5.807 2.989 -4.841 1.00 0.14 H new ATOM 0 HG1 THR A 76 7.021 4.545 -5.889 1.00 0.21 H new ATOM 0 HG21 THR A 76 5.531 2.041 -7.098 1.00 0.22 H new ATOM 0 HG22 THR A 76 3.986 1.999 -6.216 1.00 0.22 H new ATOM 0 HG23 THR A 76 4.267 3.240 -7.461 1.00 0.22 H new ATOM 1162 N PHE A 77 1.977 3.631 -5.134 1.00 0.13 N ATOM 1163 CA PHE A 77 0.803 2.824 -4.679 1.00 0.16 C ATOM 1164 C PHE A 77 0.568 1.628 -5.595 1.00 0.17 C ATOM 1165 O PHE A 77 0.748 1.715 -6.794 1.00 0.29 O ATOM 1166 CB PHE A 77 -0.429 3.710 -4.697 1.00 0.16 C ATOM 1167 CG PHE A 77 -0.379 4.640 -3.496 1.00 0.17 C ATOM 1168 CD1 PHE A 77 -0.813 4.195 -2.266 1.00 0.22 C ATOM 1169 CD2 PHE A 77 0.097 5.934 -3.619 1.00 0.37 C ATOM 1170 CE1 PHE A 77 -0.774 5.032 -1.170 1.00 0.24 C ATOM 1171 CE2 PHE A 77 0.135 6.768 -2.522 1.00 0.38 C ATOM 1172 CZ PHE A 77 -0.301 6.317 -1.299 1.00 0.21 C ATOM 0 H PHE A 77 1.828 4.182 -5.979 1.00 0.13 H new ATOM 0 HA PHE A 77 1.001 2.452 -3.674 1.00 0.16 H new ATOM 0 HB2 PHE A 77 -0.465 4.288 -5.621 1.00 0.16 H new ATOM 0 HB3 PHE A 77 -1.333 3.101 -4.666 1.00 0.16 H new ATOM 0 HD1 PHE A 77 -1.185 3.187 -2.160 1.00 0.22 H new ATOM 0 HD2 PHE A 77 0.440 6.292 -4.579 1.00 0.37 H new ATOM 0 HE1 PHE A 77 -1.116 4.677 -0.209 1.00 0.24 H new ATOM 0 HE2 PHE A 77 0.508 7.777 -2.624 1.00 0.38 H new ATOM 0 HZ PHE A 77 -0.272 6.971 -0.440 1.00 0.21 H new ATOM 1182 N GLN A 78 0.173 0.534 -5.001 1.00 0.14 N ATOM 1183 CA GLN A 78 -0.106 -0.692 -5.816 1.00 0.16 C ATOM 1184 C GLN A 78 -1.442 -1.318 -5.406 1.00 0.17 C ATOM 1185 O GLN A 78 -1.866 -1.203 -4.274 1.00 0.18 O ATOM 1186 CB GLN A 78 1.011 -1.698 -5.600 1.00 0.18 C ATOM 1187 CG GLN A 78 2.322 -1.109 -6.123 1.00 0.47 C ATOM 1188 CD GLN A 78 3.425 -2.159 -6.011 1.00 0.79 C ATOM 1189 OE1 GLN A 78 3.173 -3.346 -6.069 1.00 1.42 O ATOM 1190 NE2 GLN A 78 4.660 -1.768 -5.848 1.00 0.96 N ATOM 0 H GLN A 78 0.031 0.432 -3.996 1.00 0.14 H new ATOM 0 HA GLN A 78 -0.160 -0.413 -6.868 1.00 0.16 H new ATOM 0 HB2 GLN A 78 1.102 -1.937 -4.540 1.00 0.18 H new ATOM 0 HB3 GLN A 78 0.784 -2.629 -6.118 1.00 0.18 H new ATOM 0 HG2 GLN A 78 2.205 -0.796 -7.161 1.00 0.47 H new ATOM 0 HG3 GLN A 78 2.589 -0.221 -5.550 1.00 0.47 H new ATOM 0 HE21 GLN A 78 4.878 -0.773 -5.799 1.00 0.96 H new ATOM 0 HE22 GLN A 78 5.407 -2.458 -5.770 1.00 0.96 H new ATOM 1199 N PHE A 79 -2.070 -1.974 -6.349 1.00 0.18 N ATOM 1200 CA PHE A 79 -3.387 -2.622 -6.067 1.00 0.20 C ATOM 1201 C PHE A 79 -3.256 -4.145 -6.206 1.00 0.19 C ATOM 1202 O PHE A 79 -2.824 -4.633 -7.232 1.00 0.17 O ATOM 1203 CB PHE A 79 -4.417 -2.117 -7.087 1.00 0.23 C ATOM 1204 CG PHE A 79 -4.828 -0.669 -6.762 1.00 0.24 C ATOM 1205 CD1 PHE A 79 -3.894 0.360 -6.778 1.00 0.19 C ATOM 1206 CD2 PHE A 79 -6.147 -0.370 -6.450 1.00 0.31 C ATOM 1207 CE1 PHE A 79 -4.277 1.655 -6.486 1.00 0.21 C ATOM 1208 CE2 PHE A 79 -6.522 0.927 -6.160 1.00 0.33 C ATOM 1209 CZ PHE A 79 -5.589 1.937 -6.178 1.00 0.28 C ATOM 0 H PHE A 79 -1.727 -2.089 -7.303 1.00 0.18 H new ATOM 0 HA PHE A 79 -3.704 -2.375 -5.054 1.00 0.20 H new ATOM 0 HB2 PHE A 79 -3.997 -2.166 -8.092 1.00 0.23 H new ATOM 0 HB3 PHE A 79 -5.295 -2.762 -7.076 1.00 0.23 H new ATOM 0 HD1 PHE A 79 -2.863 0.146 -7.020 1.00 0.19 H new ATOM 0 HD2 PHE A 79 -6.886 -1.158 -6.434 1.00 0.31 H new ATOM 0 HE1 PHE A 79 -3.545 2.449 -6.499 1.00 0.21 H new ATOM 0 HE2 PHE A 79 -7.551 1.149 -5.918 1.00 0.33 H new ATOM 0 HZ PHE A 79 -5.885 2.950 -5.951 1.00 0.28 H new ATOM 1219 N PHE A 80 -3.627 -4.862 -5.168 1.00 0.21 N ATOM 1220 CA PHE A 80 -3.533 -6.357 -5.230 1.00 0.19 C ATOM 1221 C PHE A 80 -4.903 -6.979 -4.934 1.00 0.21 C ATOM 1222 O PHE A 80 -5.582 -6.578 -4.007 1.00 0.14 O ATOM 1223 CB PHE A 80 -2.522 -6.842 -4.193 1.00 0.18 C ATOM 1224 CG PHE A 80 -1.105 -6.486 -4.648 1.00 0.16 C ATOM 1225 CD1 PHE A 80 -0.444 -7.266 -5.581 1.00 0.10 C ATOM 1226 CD2 PHE A 80 -0.466 -5.377 -4.128 1.00 0.20 C ATOM 1227 CE1 PHE A 80 0.835 -6.938 -5.984 1.00 0.08 C ATOM 1228 CE2 PHE A 80 0.813 -5.053 -4.532 1.00 0.18 C ATOM 1229 CZ PHE A 80 1.462 -5.833 -5.459 1.00 0.11 C ATOM 0 H PHE A 80 -3.986 -4.482 -4.292 1.00 0.21 H new ATOM 0 HA PHE A 80 -3.212 -6.656 -6.228 1.00 0.19 H new ATOM 0 HB2 PHE A 80 -2.730 -6.383 -3.226 1.00 0.18 H new ATOM 0 HB3 PHE A 80 -2.612 -7.920 -4.060 1.00 0.18 H new ATOM 0 HD1 PHE A 80 -0.931 -8.136 -5.996 1.00 0.10 H new ATOM 0 HD2 PHE A 80 -0.971 -4.759 -3.400 1.00 0.20 H new ATOM 0 HE1 PHE A 80 1.344 -7.551 -6.713 1.00 0.08 H new ATOM 0 HE2 PHE A 80 1.305 -4.185 -4.119 1.00 0.18 H new ATOM 0 HZ PHE A 80 2.463 -5.578 -5.774 1.00 0.11 H new ATOM 1239 N LYS A 81 -5.274 -7.945 -5.737 1.00 0.35 N ATOM 1240 CA LYS A 81 -6.592 -8.623 -5.533 1.00 0.38 C ATOM 1241 C LYS A 81 -6.389 -10.134 -5.447 1.00 0.28 C ATOM 1242 O LYS A 81 -5.950 -10.761 -6.390 1.00 0.37 O ATOM 1243 CB LYS A 81 -7.509 -8.297 -6.711 1.00 0.43 C ATOM 1244 CG LYS A 81 -8.921 -8.799 -6.403 1.00 0.53 C ATOM 1245 CD LYS A 81 -9.851 -7.599 -6.214 1.00 0.60 C ATOM 1246 CE LYS A 81 -11.262 -8.102 -5.903 1.00 0.62 C ATOM 1247 NZ LYS A 81 -11.788 -7.447 -4.671 1.00 2.26 N ATOM 0 H LYS A 81 -4.724 -8.293 -6.522 1.00 0.35 H new ATOM 0 HA LYS A 81 -7.043 -8.271 -4.605 1.00 0.38 H new ATOM 0 HB2 LYS A 81 -7.523 -7.222 -6.890 1.00 0.43 H new ATOM 0 HB3 LYS A 81 -7.134 -8.766 -7.620 1.00 0.43 H new ATOM 0 HG2 LYS A 81 -9.281 -9.429 -7.216 1.00 0.53 H new ATOM 0 HG3 LYS A 81 -8.913 -9.414 -5.503 1.00 0.53 H new ATOM 0 HD2 LYS A 81 -9.490 -6.968 -5.402 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -9.861 -6.985 -7.115 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -11.923 -7.893 -6.744 1.00 0.62 H new ATOM 0 HE3 LYS A 81 -11.248 -9.184 -5.770 1.00 0.62 H new ATOM 0 HZ1 LYS A 81 -12.827 -7.431 -4.703 1.00 2.26 H new ATOM 0 HZ2 LYS A 81 -11.475 -7.980 -3.834 1.00 2.26 H new ATOM 0 HZ3 LYS A 81 -11.429 -6.473 -4.615 1.00 2.26 H new ATOM 1261 N LYS A 82 -6.716 -10.691 -4.318 1.00 0.20 N ATOM 1262 CA LYS A 82 -6.540 -12.159 -4.150 1.00 0.16 C ATOM 1263 C LYS A 82 -5.048 -12.495 -4.091 1.00 0.26 C ATOM 1264 O LYS A 82 -4.674 -13.622 -3.832 1.00 0.58 O ATOM 1265 CB LYS A 82 -7.184 -12.881 -5.331 1.00 0.25 C ATOM 1266 CG LYS A 82 -7.769 -14.209 -4.844 1.00 0.85 C ATOM 1267 CD LYS A 82 -8.032 -15.113 -6.050 1.00 1.53 C ATOM 1268 CE LYS A 82 -8.599 -16.448 -5.561 1.00 2.28 C ATOM 1269 NZ LYS A 82 -8.440 -17.497 -6.607 1.00 3.05 N ATOM 0 H LYS A 82 -7.095 -10.199 -3.509 1.00 0.20 H new ATOM 0 HA LYS A 82 -7.015 -12.480 -3.223 1.00 0.16 H new ATOM 0 HB2 LYS A 82 -7.967 -12.262 -5.769 1.00 0.25 H new ATOM 0 HB3 LYS A 82 -6.445 -13.059 -6.112 1.00 0.25 H new ATOM 0 HG2 LYS A 82 -7.078 -14.694 -4.154 1.00 0.85 H new ATOM 0 HG3 LYS A 82 -8.695 -14.034 -4.297 1.00 0.85 H new ATOM 0 HD2 LYS A 82 -8.734 -14.634 -6.733 1.00 1.53 H new ATOM 0 HD3 LYS A 82 -7.109 -15.277 -6.605 1.00 1.53 H new ATOM 0 HE2 LYS A 82 -8.087 -16.755 -4.649 1.00 2.28 H new ATOM 0 HE3 LYS A 82 -9.654 -16.332 -5.311 1.00 2.28 H new ATOM 0 HZ1 LYS A 82 -8.830 -18.396 -6.259 1.00 3.05 H new ATOM 0 HZ2 LYS A 82 -8.948 -17.209 -7.467 1.00 3.05 H new ATOM 0 HZ3 LYS A 82 -7.431 -17.619 -6.826 1.00 3.05 H new ATOM 1283 N GLY A 83 -4.230 -11.499 -4.336 1.00 0.27 N ATOM 1284 CA GLY A 83 -2.749 -11.722 -4.298 1.00 0.31 C ATOM 1285 C GLY A 83 -2.097 -11.294 -5.619 1.00 0.51 C ATOM 1286 O GLY A 83 -0.896 -11.125 -5.690 1.00 1.17 O ATOM 0 H GLY A 83 -4.521 -10.547 -4.559 1.00 0.27 H new ATOM 0 HA2 GLY A 83 -2.313 -11.158 -3.473 1.00 0.31 H new ATOM 0 HA3 GLY A 83 -2.540 -12.775 -4.109 1.00 0.31 H new ATOM 1290 N GLN A 84 -2.901 -11.129 -6.638 1.00 0.24 N ATOM 1291 CA GLN A 84 -2.333 -10.717 -7.958 1.00 0.32 C ATOM 1292 C GLN A 84 -2.460 -9.202 -8.147 1.00 0.27 C ATOM 1293 O GLN A 84 -3.383 -8.587 -7.653 1.00 0.33 O ATOM 1294 CB GLN A 84 -3.087 -11.441 -9.079 1.00 0.53 C ATOM 1295 CG GLN A 84 -4.441 -10.762 -9.307 1.00 1.60 C ATOM 1296 CD GLN A 84 -5.454 -11.801 -9.788 1.00 1.72 C ATOM 1297 OE1 GLN A 84 -5.268 -12.441 -10.804 1.00 1.27 O ATOM 1298 NE2 GLN A 84 -6.536 -12.001 -9.089 1.00 2.75 N ATOM 0 H GLN A 84 -3.912 -11.259 -6.616 1.00 0.24 H new ATOM 0 HA GLN A 84 -1.277 -10.984 -7.989 1.00 0.32 H new ATOM 0 HB2 GLN A 84 -2.500 -11.422 -9.997 1.00 0.53 H new ATOM 0 HB3 GLN A 84 -3.233 -12.488 -8.815 1.00 0.53 H new ATOM 0 HG2 GLN A 84 -4.789 -10.299 -8.383 1.00 1.60 H new ATOM 0 HG3 GLN A 84 -4.342 -9.966 -10.045 1.00 1.60 H new ATOM 0 HE21 GLN A 84 -6.698 -11.467 -8.235 1.00 2.75 H new ATOM 0 HE22 GLN A 84 -7.221 -12.692 -9.396 1.00 2.75 H new ATOM 1307 N LYS A 85 -1.526 -8.632 -8.858 1.00 0.24 N ATOM 1308 CA LYS A 85 -1.576 -7.165 -9.089 1.00 0.17 C ATOM 1309 C LYS A 85 -2.587 -6.844 -10.195 1.00 0.20 C ATOM 1310 O LYS A 85 -2.700 -7.572 -11.162 1.00 0.18 O ATOM 1311 CB LYS A 85 -0.181 -6.689 -9.511 1.00 0.17 C ATOM 1312 CG LYS A 85 -0.101 -5.158 -9.433 1.00 0.14 C ATOM 1313 CD LYS A 85 1.364 -4.738 -9.285 1.00 0.28 C ATOM 1314 CE LYS A 85 2.145 -5.191 -10.520 1.00 0.39 C ATOM 1315 NZ LYS A 85 1.443 -4.766 -11.765 1.00 1.64 N ATOM 0 H LYS A 85 -0.737 -9.116 -9.285 1.00 0.24 H new ATOM 0 HA LYS A 85 -1.884 -6.657 -8.175 1.00 0.17 H new ATOM 0 HB2 LYS A 85 0.575 -7.134 -8.864 1.00 0.17 H new ATOM 0 HB3 LYS A 85 0.033 -7.021 -10.527 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -0.531 -4.713 -10.331 1.00 0.14 H new ATOM 0 HG3 LYS A 85 -0.684 -4.794 -8.587 1.00 0.14 H new ATOM 0 HD2 LYS A 85 1.435 -3.656 -9.172 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.793 -5.181 -8.386 1.00 0.28 H new ATOM 0 HE2 LYS A 85 3.149 -4.767 -10.499 1.00 0.39 H new ATOM 0 HE3 LYS A 85 2.256 -6.275 -10.510 1.00 0.39 H new ATOM 0 HZ1 LYS A 85 2.142 -4.587 -12.514 1.00 1.64 H new ATOM 0 HZ2 LYS A 85 0.793 -5.518 -12.071 1.00 1.64 H new ATOM 0 HZ3 LYS A 85 0.904 -3.896 -11.580 1.00 1.64 H new ATOM 1329 N VAL A 86 -3.303 -5.761 -10.025 1.00 0.25 N ATOM 1330 CA VAL A 86 -4.316 -5.371 -11.058 1.00 0.29 C ATOM 1331 C VAL A 86 -4.203 -3.877 -11.389 1.00 0.29 C ATOM 1332 O VAL A 86 -4.578 -3.448 -12.462 1.00 0.35 O ATOM 1333 CB VAL A 86 -5.712 -5.670 -10.520 1.00 0.31 C ATOM 1334 CG1 VAL A 86 -6.038 -7.144 -10.762 1.00 0.39 C ATOM 1335 CG2 VAL A 86 -5.746 -5.386 -9.017 1.00 0.29 C ATOM 0 H VAL A 86 -3.233 -5.134 -9.224 1.00 0.25 H new ATOM 0 HA VAL A 86 -4.134 -5.941 -11.969 1.00 0.29 H new ATOM 0 HB VAL A 86 -6.444 -5.042 -11.028 1.00 0.31 H new ATOM 0 HG11 VAL A 86 -7.035 -7.364 -10.379 1.00 0.39 H new ATOM 0 HG12 VAL A 86 -6.005 -7.353 -11.831 1.00 0.39 H new ATOM 0 HG13 VAL A 86 -5.307 -7.768 -10.248 1.00 0.39 H new ATOM 0 HG21 VAL A 86 -6.742 -5.599 -8.629 1.00 0.29 H new ATOM 0 HG22 VAL A 86 -5.017 -6.018 -8.511 1.00 0.29 H new ATOM 0 HG23 VAL A 86 -5.503 -4.338 -8.839 1.00 0.29 H new ATOM 1345 N GLY A 87 -3.693 -3.115 -10.460 1.00 0.21 N ATOM 1346 CA GLY A 87 -3.550 -1.652 -10.709 1.00 0.21 C ATOM 1347 C GLY A 87 -2.290 -1.121 -10.027 1.00 0.18 C ATOM 1348 O GLY A 87 -1.890 -1.615 -8.994 1.00 0.14 O ATOM 0 H GLY A 87 -3.372 -3.438 -9.547 1.00 0.21 H new ATOM 0 HA2 GLY A 87 -3.500 -1.461 -11.781 1.00 0.21 H new ATOM 0 HA3 GLY A 87 -4.426 -1.124 -10.332 1.00 0.21 H new ATOM 1352 N GLU A 88 -1.682 -0.129 -10.621 1.00 0.25 N ATOM 1353 CA GLU A 88 -0.447 0.434 -10.000 1.00 0.23 C ATOM 1354 C GLU A 88 -0.152 1.834 -10.544 1.00 0.22 C ATOM 1355 O GLU A 88 -0.022 2.033 -11.736 1.00 0.23 O ATOM 1356 CB GLU A 88 0.730 -0.494 -10.303 1.00 0.23 C ATOM 1357 CG GLU A 88 2.039 0.291 -10.187 1.00 1.20 C ATOM 1358 CD GLU A 88 3.199 -0.687 -9.987 1.00 1.65 C ATOM 1359 OE1 GLU A 88 3.230 -1.649 -10.738 1.00 1.24 O ATOM 1360 OE2 GLU A 88 3.986 -0.418 -9.095 1.00 2.71 O ATOM 0 H GLU A 88 -1.979 0.309 -11.493 1.00 0.25 H new ATOM 0 HA GLU A 88 -0.597 0.511 -8.923 1.00 0.23 H new ATOM 0 HB2 GLU A 88 0.734 -1.334 -9.608 1.00 0.23 H new ATOM 0 HB3 GLU A 88 0.630 -0.910 -11.305 1.00 0.23 H new ATOM 0 HG2 GLU A 88 2.201 0.886 -11.086 1.00 1.20 H new ATOM 0 HG3 GLU A 88 1.986 0.987 -9.350 1.00 1.20 H new ATOM 1367 N PHE A 89 -0.055 2.773 -9.645 1.00 0.20 N ATOM 1368 CA PHE A 89 0.243 4.166 -10.053 1.00 0.19 C ATOM 1369 C PHE A 89 0.955 4.900 -8.910 1.00 0.09 C ATOM 1370 O PHE A 89 0.574 4.776 -7.761 1.00 0.08 O ATOM 1371 CB PHE A 89 -1.073 4.851 -10.385 1.00 0.25 C ATOM 1372 CG PHE A 89 -1.662 5.503 -9.130 1.00 0.22 C ATOM 1373 CD1 PHE A 89 -1.219 6.743 -8.700 1.00 0.17 C ATOM 1374 CD2 PHE A 89 -2.652 4.857 -8.409 1.00 0.27 C ATOM 1375 CE1 PHE A 89 -1.758 7.324 -7.568 1.00 0.19 C ATOM 1376 CE2 PHE A 89 -3.188 5.440 -7.280 1.00 0.28 C ATOM 1377 CZ PHE A 89 -2.742 6.671 -6.860 1.00 0.26 C ATOM 0 H PHE A 89 -0.171 2.631 -8.642 1.00 0.20 H new ATOM 0 HA PHE A 89 0.898 4.178 -10.925 1.00 0.19 H new ATOM 0 HB2 PHE A 89 -0.914 5.606 -11.155 1.00 0.25 H new ATOM 0 HB3 PHE A 89 -1.777 4.125 -10.791 1.00 0.25 H new ATOM 0 HD1 PHE A 89 -0.448 7.259 -9.253 1.00 0.17 H new ATOM 0 HD2 PHE A 89 -3.007 3.890 -8.733 1.00 0.27 H new ATOM 0 HE1 PHE A 89 -1.407 8.291 -7.238 1.00 0.19 H new ATOM 0 HE2 PHE A 89 -3.960 4.928 -6.724 1.00 0.28 H new ATOM 0 HZ PHE A 89 -3.163 7.125 -5.975 1.00 0.26 H new ATOM 1387 N SER A 90 1.979 5.643 -9.252 1.00 0.10 N ATOM 1388 CA SER A 90 2.739 6.391 -8.201 1.00 0.12 C ATOM 1389 C SER A 90 2.569 7.899 -8.392 1.00 0.07 C ATOM 1390 O SER A 90 1.979 8.340 -9.357 1.00 0.11 O ATOM 1391 CB SER A 90 4.221 6.032 -8.308 1.00 0.29 C ATOM 1392 OG SER A 90 4.652 6.690 -9.489 1.00 0.37 O ATOM 0 H SER A 90 2.320 5.764 -10.206 1.00 0.10 H new ATOM 0 HA SER A 90 2.355 6.116 -7.219 1.00 0.12 H new ATOM 0 HB2 SER A 90 4.778 6.374 -7.435 1.00 0.29 H new ATOM 0 HB3 SER A 90 4.366 4.954 -8.377 1.00 0.29 H new ATOM 0 HG SER A 90 5.605 6.512 -9.634 1.00 0.37 H new ATOM 1398 N GLY A 91 3.096 8.654 -7.459 1.00 0.11 N ATOM 1399 CA GLY A 91 2.985 10.141 -7.551 1.00 0.20 C ATOM 1400 C GLY A 91 2.254 10.695 -6.327 1.00 0.30 C ATOM 1401 O GLY A 91 1.236 10.172 -5.919 1.00 0.48 O ATOM 0 H GLY A 91 3.596 8.305 -6.641 1.00 0.11 H new ATOM 0 HA2 GLY A 91 3.979 10.583 -7.621 1.00 0.20 H new ATOM 0 HA3 GLY A 91 2.449 10.417 -8.459 1.00 0.20 H new ATOM 1405 N ALA A 92 2.790 11.742 -5.764 1.00 0.25 N ATOM 1406 CA ALA A 92 2.139 12.343 -4.564 1.00 0.34 C ATOM 1407 C ALA A 92 0.711 12.788 -4.900 1.00 0.41 C ATOM 1408 O ALA A 92 0.485 13.916 -5.290 1.00 0.96 O ATOM 1409 CB ALA A 92 2.953 13.550 -4.105 1.00 0.42 C ATOM 0 H ALA A 92 3.643 12.205 -6.078 1.00 0.25 H new ATOM 0 HA ALA A 92 2.097 11.598 -3.770 1.00 0.34 H new ATOM 0 HB1 ALA A 92 2.482 13.994 -3.228 1.00 0.42 H new ATOM 0 HB2 ALA A 92 3.964 13.232 -3.852 1.00 0.42 H new ATOM 0 HB3 ALA A 92 2.994 14.287 -4.907 1.00 0.42 H new ATOM 1415 N ASN A 93 -0.221 11.887 -4.741 1.00 0.19 N ATOM 1416 CA ASN A 93 -1.643 12.235 -5.039 1.00 0.11 C ATOM 1417 C ASN A 93 -2.566 11.587 -4.002 1.00 0.26 C ATOM 1418 O ASN A 93 -2.354 10.457 -3.604 1.00 0.63 O ATOM 1419 CB ASN A 93 -2.006 11.733 -6.435 1.00 0.23 C ATOM 1420 CG ASN A 93 -3.061 12.657 -7.045 1.00 0.21 C ATOM 1421 OD1 ASN A 93 -3.198 12.754 -8.248 1.00 0.49 O ATOM 1422 ND2 ASN A 93 -3.827 13.353 -6.250 1.00 0.13 N ATOM 0 H ASN A 93 -0.063 10.932 -4.420 1.00 0.19 H new ATOM 0 HA ASN A 93 -1.766 13.317 -4.998 1.00 0.11 H new ATOM 0 HB2 ASN A 93 -1.118 11.708 -7.067 1.00 0.23 H new ATOM 0 HB3 ASN A 93 -2.387 10.713 -6.380 1.00 0.23 H new ATOM 0 HD21 ASN A 93 -4.536 13.974 -6.640 1.00 0.13 H new ATOM 0 HD22 ASN A 93 -3.717 13.276 -5.239 1.00 0.13 H new ATOM 1429 N LYS A 94 -3.572 12.319 -3.592 1.00 0.40 N ATOM 1430 CA LYS A 94 -4.526 11.775 -2.573 1.00 0.49 C ATOM 1431 C LYS A 94 -5.928 11.630 -3.174 1.00 0.40 C ATOM 1432 O LYS A 94 -6.487 10.551 -3.194 1.00 0.31 O ATOM 1433 CB LYS A 94 -4.580 12.727 -1.377 1.00 0.73 C ATOM 1434 CG LYS A 94 -3.154 13.213 -1.048 1.00 0.39 C ATOM 1435 CD LYS A 94 -2.754 14.385 -1.965 1.00 1.10 C ATOM 1436 CE LYS A 94 -2.608 15.652 -1.119 1.00 0.82 C ATOM 1437 NZ LYS A 94 -2.178 16.800 -1.966 1.00 1.93 N ATOM 0 H LYS A 94 -3.774 13.265 -3.916 1.00 0.40 H new ATOM 0 HA LYS A 94 -4.180 10.792 -2.253 1.00 0.49 H new ATOM 0 HB2 LYS A 94 -5.223 13.577 -1.603 1.00 0.73 H new ATOM 0 HB3 LYS A 94 -5.012 12.221 -0.514 1.00 0.73 H new ATOM 0 HG2 LYS A 94 -3.103 13.526 -0.005 1.00 0.39 H new ATOM 0 HG3 LYS A 94 -2.447 12.392 -1.169 1.00 0.39 H new ATOM 0 HD2 LYS A 94 -1.816 14.162 -2.474 1.00 1.10 H new ATOM 0 HD3 LYS A 94 -3.508 14.533 -2.738 1.00 1.10 H new ATOM 0 HE2 LYS A 94 -3.557 15.885 -0.636 1.00 0.82 H new ATOM 0 HE3 LYS A 94 -1.879 15.485 -0.326 1.00 0.82 H new ATOM 0 HZ1 LYS A 94 -2.084 17.651 -1.376 1.00 1.93 H new ATOM 0 HZ2 LYS A 94 -1.262 16.582 -2.407 1.00 1.93 H new ATOM 0 HZ3 LYS A 94 -2.888 16.970 -2.707 1.00 1.93 H new ATOM 1451 N GLU A 95 -6.467 12.718 -3.649 1.00 0.47 N ATOM 1452 CA GLU A 95 -7.829 12.659 -4.249 1.00 0.46 C ATOM 1453 C GLU A 95 -7.893 11.546 -5.300 1.00 0.34 C ATOM 1454 O GLU A 95 -8.953 11.195 -5.776 1.00 0.38 O ATOM 1455 CB GLU A 95 -8.145 14.002 -4.907 1.00 0.57 C ATOM 1456 CG GLU A 95 -9.539 14.460 -4.470 1.00 1.47 C ATOM 1457 CD GLU A 95 -9.961 15.666 -5.311 1.00 1.67 C ATOM 1458 OE1 GLU A 95 -9.133 16.552 -5.441 1.00 1.44 O ATOM 1459 OE2 GLU A 95 -11.089 15.633 -5.778 1.00 2.64 O ATOM 0 H GLU A 95 -6.028 13.639 -3.648 1.00 0.47 H new ATOM 0 HA GLU A 95 -8.559 12.449 -3.467 1.00 0.46 H new ATOM 0 HB2 GLU A 95 -7.399 14.744 -4.623 1.00 0.57 H new ATOM 0 HB3 GLU A 95 -8.103 13.908 -5.992 1.00 0.57 H new ATOM 0 HG2 GLU A 95 -10.256 13.648 -4.592 1.00 1.47 H new ATOM 0 HG3 GLU A 95 -9.533 14.724 -3.412 1.00 1.47 H new ATOM 1466 N LYS A 96 -6.750 11.019 -5.639 1.00 0.22 N ATOM 1467 CA LYS A 96 -6.715 9.931 -6.659 1.00 0.10 C ATOM 1468 C LYS A 96 -6.988 8.566 -6.007 1.00 0.08 C ATOM 1469 O LYS A 96 -7.835 7.822 -6.458 1.00 0.08 O ATOM 1470 CB LYS A 96 -5.336 9.918 -7.318 1.00 0.06 C ATOM 1471 CG LYS A 96 -5.295 8.819 -8.385 1.00 0.16 C ATOM 1472 CD LYS A 96 -4.768 9.407 -9.699 1.00 0.29 C ATOM 1473 CE LYS A 96 -5.836 10.320 -10.307 1.00 1.09 C ATOM 1474 NZ LYS A 96 -5.233 11.612 -10.742 1.00 1.69 N ATOM 0 H LYS A 96 -5.844 11.291 -5.258 1.00 0.22 H new ATOM 0 HA LYS A 96 -7.488 10.115 -7.405 1.00 0.10 H new ATOM 0 HB2 LYS A 96 -5.127 10.888 -7.770 1.00 0.06 H new ATOM 0 HB3 LYS A 96 -4.564 9.743 -6.569 1.00 0.06 H new ATOM 0 HG2 LYS A 96 -4.654 8.001 -8.056 1.00 0.16 H new ATOM 0 HG3 LYS A 96 -6.292 8.403 -8.533 1.00 0.16 H new ATOM 0 HD2 LYS A 96 -3.852 9.969 -9.518 1.00 0.29 H new ATOM 0 HD3 LYS A 96 -4.518 8.606 -10.395 1.00 0.29 H new ATOM 0 HE2 LYS A 96 -6.304 9.825 -11.158 1.00 1.09 H new ATOM 0 HE3 LYS A 96 -6.622 10.507 -9.576 1.00 1.09 H new ATOM 0 HZ1 LYS A 96 -5.988 12.302 -10.928 1.00 1.69 H new ATOM 0 HZ2 LYS A 96 -4.610 11.974 -9.992 1.00 1.69 H new ATOM 0 HZ3 LYS A 96 -4.679 11.462 -11.609 1.00 1.69 H new ATOM 1488 N LEU A 97 -6.266 8.267 -4.959 1.00 0.10 N ATOM 1489 CA LEU A 97 -6.472 6.948 -4.278 1.00 0.13 C ATOM 1490 C LEU A 97 -7.958 6.727 -3.986 1.00 0.09 C ATOM 1491 O LEU A 97 -8.474 5.649 -4.191 1.00 0.27 O ATOM 1492 CB LEU A 97 -5.695 6.916 -2.953 1.00 0.32 C ATOM 1493 CG LEU A 97 -4.207 7.229 -3.201 1.00 0.44 C ATOM 1494 CD1 LEU A 97 -3.574 7.749 -1.906 1.00 0.49 C ATOM 1495 CD2 LEU A 97 -3.477 5.949 -3.618 1.00 0.78 C ATOM 0 H LEU A 97 -5.551 8.867 -4.547 1.00 0.10 H new ATOM 0 HA LEU A 97 -6.111 6.160 -4.938 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.116 7.643 -2.258 1.00 0.32 H new ATOM 0 HB3 LEU A 97 -5.795 5.935 -2.488 1.00 0.32 H new ATOM 0 HG LEU A 97 -4.125 7.979 -3.988 1.00 0.44 H new ATOM 0 HD11 LEU A 97 -2.521 7.971 -2.079 1.00 0.49 H new ATOM 0 HD12 LEU A 97 -4.089 8.656 -1.588 1.00 0.49 H new ATOM 0 HD13 LEU A 97 -3.662 6.991 -1.128 1.00 0.49 H new ATOM 0 HD21 LEU A 97 -2.424 6.171 -3.793 1.00 0.78 H new ATOM 0 HD22 LEU A 97 -3.564 5.206 -2.825 1.00 0.78 H new ATOM 0 HD23 LEU A 97 -3.922 5.558 -4.533 1.00 0.78 H new ATOM 1507 N GLU A 98 -8.616 7.748 -3.514 1.00 0.12 N ATOM 1508 CA GLU A 98 -10.069 7.598 -3.200 1.00 0.19 C ATOM 1509 C GLU A 98 -10.823 7.070 -4.418 1.00 0.20 C ATOM 1510 O GLU A 98 -11.376 5.989 -4.393 1.00 0.32 O ATOM 1511 CB GLU A 98 -10.640 8.954 -2.790 1.00 0.26 C ATOM 1512 CG GLU A 98 -12.131 8.797 -2.480 1.00 0.29 C ATOM 1513 CD GLU A 98 -12.560 9.884 -1.492 1.00 0.93 C ATOM 1514 OE1 GLU A 98 -12.404 9.631 -0.308 1.00 1.85 O ATOM 1515 OE2 GLU A 98 -13.022 10.904 -1.975 1.00 1.35 O ATOM 0 H GLU A 98 -8.219 8.670 -3.333 1.00 0.12 H new ATOM 0 HA GLU A 98 -10.185 6.887 -2.382 1.00 0.19 H new ATOM 0 HB2 GLU A 98 -10.112 9.335 -1.916 1.00 0.26 H new ATOM 0 HB3 GLU A 98 -10.497 9.680 -3.590 1.00 0.26 H new ATOM 0 HG2 GLU A 98 -12.715 8.873 -3.397 1.00 0.29 H new ATOM 0 HG3 GLU A 98 -12.325 7.810 -2.059 1.00 0.29 H new ATOM 1522 N ALA A 99 -10.827 7.846 -5.455 1.00 0.14 N ATOM 1523 CA ALA A 99 -11.540 7.414 -6.694 1.00 0.18 C ATOM 1524 C ALA A 99 -11.022 6.047 -7.158 1.00 0.23 C ATOM 1525 O ALA A 99 -11.786 5.121 -7.342 1.00 0.52 O ATOM 1526 CB ALA A 99 -11.302 8.448 -7.796 1.00 0.13 C ATOM 0 H ALA A 99 -10.372 8.758 -5.506 1.00 0.14 H new ATOM 0 HA ALA A 99 -12.606 7.333 -6.482 1.00 0.18 H new ATOM 0 HB1 ALA A 99 -11.820 8.138 -8.704 1.00 0.13 H new ATOM 0 HB2 ALA A 99 -11.682 9.417 -7.474 1.00 0.13 H new ATOM 0 HB3 ALA A 99 -10.234 8.526 -7.997 1.00 0.13 H new ATOM 1532 N THR A 100 -9.732 5.950 -7.337 1.00 0.18 N ATOM 1533 CA THR A 100 -9.151 4.651 -7.792 1.00 0.26 C ATOM 1534 C THR A 100 -9.673 3.502 -6.925 1.00 0.13 C ATOM 1535 O THR A 100 -10.022 2.455 -7.431 1.00 0.21 O ATOM 1536 CB THR A 100 -7.627 4.718 -7.691 1.00 0.40 C ATOM 1537 OG1 THR A 100 -7.277 5.947 -8.321 1.00 0.55 O ATOM 1538 CG2 THR A 100 -6.961 3.630 -8.530 1.00 0.50 C ATOM 0 H THR A 100 -9.061 6.704 -7.190 1.00 0.18 H new ATOM 0 HA THR A 100 -9.446 4.471 -8.826 1.00 0.26 H new ATOM 0 HB THR A 100 -7.317 4.614 -6.651 1.00 0.40 H new ATOM 0 HG1 THR A 100 -7.299 6.671 -7.661 1.00 0.55 H new ATOM 0 HG21 THR A 100 -5.878 3.708 -8.434 1.00 0.50 H new ATOM 0 HG22 THR A 100 -7.286 2.650 -8.180 1.00 0.50 H new ATOM 0 HG23 THR A 100 -7.242 3.754 -9.576 1.00 0.50 H new ATOM 1546 N ILE A 101 -9.709 3.712 -5.636 1.00 0.09 N ATOM 1547 CA ILE A 101 -10.222 2.631 -4.748 1.00 0.20 C ATOM 1548 C ILE A 101 -11.664 2.334 -5.120 1.00 0.33 C ATOM 1549 O ILE A 101 -12.127 1.216 -5.005 1.00 0.58 O ATOM 1550 CB ILE A 101 -10.141 3.080 -3.285 1.00 0.37 C ATOM 1551 CG1 ILE A 101 -8.739 2.768 -2.745 1.00 0.39 C ATOM 1552 CG2 ILE A 101 -11.180 2.311 -2.462 1.00 0.50 C ATOM 1553 CD1 ILE A 101 -8.385 3.761 -1.632 1.00 0.67 C ATOM 0 H ILE A 101 -9.412 4.568 -5.167 1.00 0.09 H new ATOM 0 HA ILE A 101 -9.618 1.732 -4.872 1.00 0.20 H new ATOM 0 HB ILE A 101 -10.337 4.150 -3.215 1.00 0.37 H new ATOM 0 HG12 ILE A 101 -8.704 1.748 -2.361 1.00 0.39 H new ATOM 0 HG13 ILE A 101 -8.006 2.831 -3.549 1.00 0.39 H new ATOM 0 HG21 ILE A 101 -11.126 2.627 -1.420 1.00 0.50 H new ATOM 0 HG22 ILE A 101 -12.177 2.516 -2.852 1.00 0.50 H new ATOM 0 HG23 ILE A 101 -10.977 1.242 -2.527 1.00 0.50 H new ATOM 0 HD11 ILE A 101 -7.389 3.538 -1.249 1.00 0.67 H new ATOM 0 HD12 ILE A 101 -8.402 4.775 -2.030 1.00 0.67 H new ATOM 0 HD13 ILE A 101 -9.112 3.676 -0.824 1.00 0.67 H new ATOM 1565 N ASN A 102 -12.344 3.348 -5.558 1.00 0.22 N ATOM 1566 CA ASN A 102 -13.756 3.155 -5.971 1.00 0.37 C ATOM 1567 C ASN A 102 -13.784 2.293 -7.227 1.00 0.48 C ATOM 1568 O ASN A 102 -14.819 1.806 -7.635 1.00 0.63 O ATOM 1569 CB ASN A 102 -14.386 4.517 -6.266 1.00 0.30 C ATOM 1570 CG ASN A 102 -15.816 4.544 -5.722 1.00 0.99 C ATOM 1571 OD1 ASN A 102 -16.512 3.549 -5.728 1.00 1.02 O ATOM 1572 ND2 ASN A 102 -16.291 5.662 -5.244 1.00 1.60 N ATOM 0 H ASN A 102 -11.987 4.299 -5.648 1.00 0.22 H new ATOM 0 HA ASN A 102 -14.317 2.665 -5.175 1.00 0.37 H new ATOM 0 HB2 ASN A 102 -13.796 5.310 -5.807 1.00 0.30 H new ATOM 0 HB3 ASN A 102 -14.390 4.703 -7.340 1.00 0.30 H new ATOM 0 HD21 ASN A 102 -17.242 5.697 -4.878 1.00 1.60 H new ATOM 0 HD22 ASN A 102 -15.711 6.501 -5.236 1.00 1.60 H new ATOM 1579 N GLU A 103 -12.628 2.125 -7.812 1.00 0.44 N ATOM 1580 CA GLU A 103 -12.541 1.298 -9.045 1.00 0.62 C ATOM 1581 C GLU A 103 -12.587 -0.196 -8.698 1.00 0.72 C ATOM 1582 O GLU A 103 -13.342 -0.943 -9.288 1.00 0.92 O ATOM 1583 CB GLU A 103 -11.228 1.611 -9.760 1.00 0.60 C ATOM 1584 CG GLU A 103 -11.388 1.303 -11.249 1.00 0.85 C ATOM 1585 CD GLU A 103 -11.904 2.550 -11.970 1.00 1.45 C ATOM 1586 OE1 GLU A 103 -11.058 3.318 -12.397 1.00 0.90 O ATOM 1587 OE2 GLU A 103 -13.116 2.663 -12.052 1.00 2.90 O ATOM 0 H GLU A 103 -11.746 2.523 -7.490 1.00 0.44 H new ATOM 0 HA GLU A 103 -13.388 1.532 -9.690 1.00 0.62 H new ATOM 0 HB2 GLU A 103 -10.962 2.659 -9.618 1.00 0.60 H new ATOM 0 HB3 GLU A 103 -10.418 1.017 -9.337 1.00 0.60 H new ATOM 0 HG2 GLU A 103 -10.433 0.993 -11.673 1.00 0.85 H new ATOM 0 HG3 GLU A 103 -12.083 0.475 -11.388 1.00 0.85 H new ATOM 1594 N LEU A 104 -11.776 -0.600 -7.745 1.00 0.59 N ATOM 1595 CA LEU A 104 -11.748 -2.051 -7.361 1.00 0.72 C ATOM 1596 C LEU A 104 -12.404 -2.281 -5.990 1.00 0.92 C ATOM 1597 O LEU A 104 -12.285 -3.349 -5.425 1.00 1.25 O ATOM 1598 CB LEU A 104 -10.294 -2.528 -7.299 1.00 0.46 C ATOM 1599 CG LEU A 104 -9.546 -2.089 -8.562 1.00 0.53 C ATOM 1600 CD1 LEU A 104 -8.150 -2.715 -8.557 1.00 0.52 C ATOM 1601 CD2 LEU A 104 -10.306 -2.571 -9.801 1.00 0.97 C ATOM 0 H LEU A 104 -11.140 0.003 -7.223 1.00 0.59 H new ATOM 0 HA LEU A 104 -12.307 -2.611 -8.111 1.00 0.72 H new ATOM 0 HB2 LEU A 104 -9.805 -2.118 -6.415 1.00 0.46 H new ATOM 0 HB3 LEU A 104 -10.262 -3.614 -7.206 1.00 0.46 H new ATOM 0 HG LEU A 104 -9.468 -1.002 -8.582 1.00 0.53 H new ATOM 0 HD11 LEU A 104 -7.610 -2.408 -9.453 1.00 0.52 H new ATOM 0 HD12 LEU A 104 -7.605 -2.383 -7.673 1.00 0.52 H new ATOM 0 HD13 LEU A 104 -8.238 -3.801 -8.541 1.00 0.52 H new ATOM 0 HD21 LEU A 104 -9.773 -2.258 -10.699 1.00 0.97 H new ATOM 0 HD22 LEU A 104 -10.379 -3.658 -9.783 1.00 0.97 H new ATOM 0 HD23 LEU A 104 -11.307 -2.140 -9.804 1.00 0.97 H new ATOM 1613 N VAL A 105 -13.078 -1.285 -5.477 1.00 0.81 N ATOM 1614 CA VAL A 105 -13.732 -1.471 -4.145 1.00 1.08 C ATOM 1615 C VAL A 105 -14.491 -2.802 -4.111 1.00 1.57 C ATOM 1616 O VAL A 105 -14.880 -3.229 -5.186 1.00 0.85 O ATOM 1617 CB VAL A 105 -14.705 -0.324 -3.893 1.00 0.87 C ATOM 1618 CG1 VAL A 105 -15.952 -0.521 -4.758 1.00 1.15 C ATOM 1619 CG2 VAL A 105 -15.111 -0.318 -2.420 1.00 1.15 C ATOM 1620 OXT VAL A 105 -14.639 -3.315 -3.015 1.00 2.72 O ATOM 0 H VAL A 105 -13.203 -0.370 -5.910 1.00 0.81 H new ATOM 0 HA VAL A 105 -12.965 -1.480 -3.370 1.00 1.08 H new ATOM 0 HB VAL A 105 -14.227 0.623 -4.145 1.00 0.87 H new ATOM 0 HG11 VAL A 105 -16.650 0.297 -4.581 1.00 1.15 H new ATOM 0 HG12 VAL A 105 -15.667 -0.533 -5.810 1.00 1.15 H new ATOM 0 HG13 VAL A 105 -16.428 -1.467 -4.500 1.00 1.15 H new ATOM 0 HG21 VAL A 105 -15.807 0.501 -2.238 1.00 1.15 H new ATOM 0 HG22 VAL A 105 -15.591 -1.264 -2.171 1.00 1.15 H new ATOM 0 HG23 VAL A 105 -14.225 -0.187 -1.799 1.00 1.15 H new TER 1630 VAL A 105