USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 780 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 79 LYS NZ :NH3+ -142:sc= -2.39! (180deg=-5.22!) USER MOD Set 1.2: A 80 ASN : amide:sc= -0.127 K(o=-2.5,f=-5.3) USER MOD Set 2.1: A 30 CYS SG : rot 165:sc= -0.226 USER MOD Set 2.2: A 33 CYS SG : rot 74:sc= -1.63 USER MOD Set 3.1: A 4 GLN : amide:sc= 0 X(o=-8.9,f=-9.3) USER MOD Set 3.2: A 26 TYR OH : rot 30:sc= -1.65! USER MOD Set 3.3: A 54 LYS NZ :NH3+ 132:sc= -7.21! (180deg=-10.2!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 146:sc= 0.00418 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -3:sc= -1.82! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 144:sc= -0.0741 (180deg=-0.478) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -23:sc= 0.346 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot -128:sc= -2.4! USER MOD Single : A 49 GLN : amide:sc= -2.41 K(o=-2.4,f=-0.47) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -3.7! C(o=-3.7!,f=-3.9!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 90:sc= -7.33! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -3.25 K(o=-3.3,f=-0.14) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -3.14! C(o=-3.1!,f=-2.5!) USER MOD Single : A 102 ASN : amide:sc= -2.48 K(o=-2.5,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -3.225 9.389 3.526 1.00 0.00 N ATOM 21 CA VAL A 2 -3.601 7.981 3.509 1.00 0.00 C ATOM 22 C VAL A 2 -5.078 7.816 3.165 1.00 0.00 C ATOM 23 O VAL A 2 -5.944 8.421 3.797 1.00 0.00 O ATOM 24 CB VAL A 2 -3.315 7.313 4.866 1.00 0.00 C ATOM 25 CG1 VAL A 2 -3.655 5.832 4.826 1.00 0.00 C ATOM 26 CG2 VAL A 2 -1.863 7.522 5.263 1.00 0.00 C ATOM 0 HA VAL A 2 -2.999 7.494 2.742 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.950 7.781 5.618 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.444 5.384 5.797 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.712 5.708 4.591 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.053 5.341 4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.676 7.044 6.225 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -1.212 7.083 4.507 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -1.658 8.590 5.343 1.00 0.00 H new ATOM 36 N THR A 3 -5.361 7.002 2.151 1.00 0.00 N ATOM 37 CA THR A 3 -6.733 6.772 1.719 1.00 0.00 C ATOM 38 C THR A 3 -6.907 5.373 1.126 1.00 0.00 C ATOM 39 O THR A 3 -5.943 4.745 0.689 1.00 0.00 O ATOM 40 CB THR A 3 -7.139 7.835 0.694 1.00 0.00 C ATOM 41 OG1 THR A 3 -7.183 9.117 1.293 1.00 0.00 O ATOM 42 CG2 THR A 3 -8.487 7.581 0.054 1.00 0.00 C ATOM 0 H THR A 3 -4.658 6.492 1.615 1.00 0.00 H new ATOM 0 HA THR A 3 -7.380 6.844 2.593 1.00 0.00 H new ATOM 0 HB THR A 3 -6.377 7.784 -0.083 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.442 9.783 0.622 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.706 8.375 -0.660 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.469 6.622 -0.464 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.258 7.563 0.824 1.00 0.00 H new ATOM 50 N GLN A 4 -8.152 4.903 1.108 1.00 0.00 N ATOM 51 CA GLN A 4 -8.478 3.589 0.563 1.00 0.00 C ATOM 52 C GLN A 4 -8.797 3.702 -0.923 1.00 0.00 C ATOM 53 O GLN A 4 -9.044 4.797 -1.428 1.00 0.00 O ATOM 54 CB GLN A 4 -9.717 3.019 1.259 1.00 0.00 C ATOM 55 CG GLN A 4 -9.667 3.069 2.776 1.00 0.00 C ATOM 56 CD GLN A 4 -10.978 2.653 3.414 1.00 0.00 C ATOM 57 OE1 GLN A 4 -11.446 1.529 3.222 1.00 0.00 O ATOM 58 NE2 GLN A 4 -11.580 3.557 4.176 1.00 0.00 N ATOM 0 H GLN A 4 -8.956 5.417 1.467 1.00 0.00 H new ATOM 0 HA GLN A 4 -7.618 2.938 0.722 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.594 3.569 0.919 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.849 1.983 0.947 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -8.870 2.416 3.132 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -9.416 4.081 3.095 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -11.157 4.476 4.308 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -12.466 3.333 4.630 1.00 0.00 H new ATOM 67 N PHE A 5 -8.836 2.569 -1.612 1.00 0.00 N ATOM 68 CA PHE A 5 -9.178 2.563 -3.027 1.00 0.00 C ATOM 69 C PHE A 5 -10.496 1.833 -3.254 1.00 0.00 C ATOM 70 O PHE A 5 -10.632 0.656 -2.923 1.00 0.00 O ATOM 71 CB PHE A 5 -8.072 1.929 -3.870 1.00 0.00 C ATOM 72 CG PHE A 5 -6.842 2.785 -4.002 1.00 0.00 C ATOM 73 CD1 PHE A 5 -6.933 4.171 -3.970 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.599 2.204 -4.191 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.806 4.957 -4.122 1.00 0.00 C ATOM 76 CE2 PHE A 5 -4.471 2.986 -4.340 1.00 0.00 C ATOM 77 CZ PHE A 5 -4.574 4.361 -4.307 1.00 0.00 C ATOM 0 H PHE A 5 -8.637 1.650 -1.218 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.287 3.600 -3.343 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.792 0.974 -3.426 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.463 1.716 -4.865 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.895 4.640 -3.825 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.511 1.128 -4.222 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.889 6.034 -4.096 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.507 2.521 -4.483 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.691 4.972 -4.426 1.00 0.00 H new ATOM 87 N LYS A 6 -11.466 2.550 -3.812 1.00 0.00 N ATOM 88 CA LYS A 6 -12.782 1.983 -4.079 1.00 0.00 C ATOM 89 C LYS A 6 -12.891 1.528 -5.529 1.00 0.00 C ATOM 90 O LYS A 6 -13.442 0.468 -5.820 1.00 0.00 O ATOM 91 CB LYS A 6 -13.862 3.007 -3.774 1.00 0.00 C ATOM 92 CG LYS A 6 -15.072 2.398 -3.094 1.00 0.00 C ATOM 93 CD LYS A 6 -14.715 1.790 -1.745 1.00 0.00 C ATOM 94 CE LYS A 6 -14.105 2.822 -0.811 1.00 0.00 C ATOM 95 NZ LYS A 6 -13.755 2.237 0.513 1.00 0.00 N ATOM 0 H LYS A 6 -11.365 3.527 -4.088 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.919 1.115 -3.434 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.447 3.788 -3.136 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.175 3.486 -4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -15.836 3.163 -2.957 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -15.502 1.630 -3.737 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -15.610 1.368 -1.287 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.013 0.969 -1.890 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.210 3.242 -1.270 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.807 3.644 -0.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.899 2.699 0.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.542 2.385 1.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.580 1.217 0.407 1.00 0.00 H new ATOM 109 N THR A 7 -12.359 2.341 -6.434 1.00 0.00 N ATOM 110 CA THR A 7 -12.387 2.027 -7.857 1.00 0.00 C ATOM 111 C THR A 7 -10.976 2.008 -8.432 1.00 0.00 C ATOM 112 O THR A 7 -10.146 2.849 -8.088 1.00 0.00 O ATOM 113 CB THR A 7 -13.247 3.045 -8.611 1.00 0.00 C ATOM 114 OG1 THR A 7 -12.731 4.353 -8.449 1.00 0.00 O ATOM 115 CG2 THR A 7 -14.691 3.060 -8.160 1.00 0.00 C ATOM 0 H THR A 7 -11.902 3.224 -6.207 1.00 0.00 H new ATOM 0 HA THR A 7 -12.825 1.036 -7.979 1.00 0.00 H new ATOM 0 HB THR A 7 -13.214 2.734 -9.655 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.293 4.989 -8.939 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.244 3.803 -8.735 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.132 2.076 -8.319 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.739 3.312 -7.100 1.00 0.00 H new ATOM 123 N ALA A 8 -10.708 1.042 -9.305 1.00 0.00 N ATOM 124 CA ALA A 8 -9.392 0.917 -9.921 1.00 0.00 C ATOM 125 C ALA A 8 -8.988 2.200 -10.633 1.00 0.00 C ATOM 126 O ALA A 8 -7.801 2.477 -10.804 1.00 0.00 O ATOM 127 CB ALA A 8 -9.368 -0.259 -10.885 1.00 0.00 C ATOM 0 H ALA A 8 -11.382 0.336 -9.601 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.667 0.735 -9.128 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.379 -0.339 -11.337 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.595 -1.178 -10.344 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.112 -0.104 -11.666 1.00 0.00 H new ATOM 133 N SER A 9 -9.978 2.989 -11.035 1.00 0.00 N ATOM 134 CA SER A 9 -9.712 4.248 -11.714 1.00 0.00 C ATOM 135 C SER A 9 -8.955 5.205 -10.795 1.00 0.00 C ATOM 136 O SER A 9 -8.384 6.195 -11.253 1.00 0.00 O ATOM 137 CB SER A 9 -11.021 4.891 -12.174 1.00 0.00 C ATOM 138 OG SER A 9 -11.724 4.040 -13.064 1.00 0.00 O ATOM 0 H SER A 9 -10.967 2.779 -10.903 1.00 0.00 H new ATOM 0 HA SER A 9 -9.094 4.041 -12.588 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.645 5.112 -11.308 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.810 5.841 -12.665 1.00 0.00 H new ATOM 0 HG SER A 9 -12.558 4.474 -13.342 1.00 0.00 H new ATOM 144 N GLU A 10 -8.954 4.904 -9.497 1.00 0.00 N ATOM 145 CA GLU A 10 -8.270 5.736 -8.521 1.00 0.00 C ATOM 146 C GLU A 10 -6.831 5.281 -8.331 1.00 0.00 C ATOM 147 O GLU A 10 -5.904 6.089 -8.323 1.00 0.00 O ATOM 148 CB GLU A 10 -9.010 5.709 -7.183 1.00 0.00 C ATOM 149 CG GLU A 10 -10.432 6.239 -7.265 1.00 0.00 C ATOM 150 CD GLU A 10 -10.490 7.685 -7.716 1.00 0.00 C ATOM 151 OE1 GLU A 10 -9.908 8.547 -7.025 1.00 0.00 O ATOM 152 OE2 GLU A 10 -11.119 7.955 -8.762 1.00 0.00 O ATOM 0 H GLU A 10 -9.421 4.088 -9.101 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.260 6.758 -8.899 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.033 4.685 -6.811 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.452 6.300 -6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.006 5.623 -7.957 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.907 6.148 -6.288 1.00 0.00 H new ATOM 159 N PHE A 11 -6.662 3.980 -8.175 1.00 0.00 N ATOM 160 CA PHE A 11 -5.348 3.393 -7.980 1.00 0.00 C ATOM 161 C PHE A 11 -4.574 3.357 -9.297 1.00 0.00 C ATOM 162 O PHE A 11 -3.357 3.533 -9.321 1.00 0.00 O ATOM 163 CB PHE A 11 -5.479 1.978 -7.408 1.00 0.00 C ATOM 164 CG PHE A 11 -4.187 1.395 -6.892 1.00 0.00 C ATOM 165 CD1 PHE A 11 -3.014 2.140 -6.890 1.00 0.00 C ATOM 166 CD2 PHE A 11 -4.149 0.099 -6.401 1.00 0.00 C ATOM 167 CE1 PHE A 11 -1.836 1.603 -6.413 1.00 0.00 C ATOM 168 CE2 PHE A 11 -2.970 -0.442 -5.922 1.00 0.00 C ATOM 169 CZ PHE A 11 -1.814 0.311 -5.929 1.00 0.00 C ATOM 0 H PHE A 11 -7.426 3.304 -8.180 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.797 4.011 -7.271 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.207 1.993 -6.597 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.877 1.321 -8.182 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.025 3.152 -7.267 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.051 -0.495 -6.393 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.932 2.193 -6.418 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.954 -1.453 -5.543 1.00 0.00 H new ATOM 0 HZ PHE A 11 -0.892 -0.111 -5.556 1.00 0.00 H new ATOM 179 N ASP A 12 -5.294 3.128 -10.391 1.00 0.00 N ATOM 180 CA ASP A 12 -4.680 3.068 -11.714 1.00 0.00 C ATOM 181 C ASP A 12 -3.832 4.309 -11.982 1.00 0.00 C ATOM 182 O ASP A 12 -2.831 4.249 -12.695 1.00 0.00 O ATOM 183 CB ASP A 12 -5.758 2.932 -12.792 1.00 0.00 C ATOM 184 CG ASP A 12 -5.175 2.824 -14.187 1.00 0.00 C ATOM 185 OD1 ASP A 12 -4.405 1.872 -14.438 1.00 0.00 O ATOM 186 OD2 ASP A 12 -5.488 3.692 -15.030 1.00 0.00 O ATOM 0 H ASP A 12 -6.303 2.981 -10.388 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.029 2.194 -11.744 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.364 2.050 -12.586 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.424 3.794 -12.746 1.00 0.00 H new ATOM 191 N SER A 13 -4.242 5.435 -11.406 1.00 0.00 N ATOM 192 CA SER A 13 -3.522 6.691 -11.581 1.00 0.00 C ATOM 193 C SER A 13 -2.457 6.869 -10.502 1.00 0.00 C ATOM 194 O SER A 13 -1.462 7.564 -10.709 1.00 0.00 O ATOM 195 CB SER A 13 -4.497 7.869 -11.548 1.00 0.00 C ATOM 196 OG SER A 13 -3.816 9.100 -11.715 1.00 0.00 O ATOM 0 H SER A 13 -5.070 5.503 -10.814 1.00 0.00 H new ATOM 0 HA SER A 13 -3.026 6.662 -12.551 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.241 7.752 -12.336 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.035 7.873 -10.600 1.00 0.00 H new ATOM 0 HG SER A 13 -4.462 9.837 -11.692 1.00 0.00 H new ATOM 202 N ALA A 14 -2.675 6.243 -9.349 1.00 0.00 N ATOM 203 CA ALA A 14 -1.734 6.337 -8.237 1.00 0.00 C ATOM 204 C ALA A 14 -0.329 5.915 -8.658 1.00 0.00 C ATOM 205 O ALA A 14 0.639 6.643 -8.443 1.00 0.00 O ATOM 206 CB ALA A 14 -2.212 5.490 -7.069 1.00 0.00 C ATOM 0 H ALA A 14 -3.494 5.666 -9.160 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.689 7.380 -7.924 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.501 5.569 -6.247 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.189 5.843 -6.739 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.290 4.449 -7.382 1.00 0.00 H new ATOM 212 N ILE A 15 -0.225 4.734 -9.261 1.00 0.00 N ATOM 213 CA ILE A 15 1.064 4.219 -9.711 1.00 0.00 C ATOM 214 C ILE A 15 1.550 4.952 -10.955 1.00 0.00 C ATOM 215 O ILE A 15 2.699 5.386 -11.014 1.00 0.00 O ATOM 216 CB ILE A 15 1.004 2.702 -9.990 1.00 0.00 C ATOM 217 CG1 ILE A 15 -0.039 2.378 -11.063 1.00 0.00 C ATOM 218 CG2 ILE A 15 0.699 1.945 -8.704 1.00 0.00 C ATOM 219 CD1 ILE A 15 -0.205 0.895 -11.319 1.00 0.00 C ATOM 0 H ILE A 15 -1.016 4.117 -9.449 1.00 0.00 H new ATOM 0 HA ILE A 15 1.773 4.394 -8.902 1.00 0.00 H new ATOM 0 HB ILE A 15 1.977 2.385 -10.365 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.000 2.796 -10.762 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.245 2.869 -11.994 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.659 0.876 -8.912 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.481 2.143 -7.971 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.262 2.274 -8.307 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.960 0.741 -12.090 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.744 0.475 -11.651 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.519 0.400 -10.400 1.00 0.00 H new ATOM 231 N ALA A 16 0.674 5.082 -11.949 1.00 0.00 N ATOM 232 CA ALA A 16 1.017 5.750 -13.203 1.00 0.00 C ATOM 233 C ALA A 16 1.846 7.013 -12.984 1.00 0.00 C ATOM 234 O ALA A 16 1.304 8.091 -12.740 1.00 0.00 O ATOM 235 CB ALA A 16 -0.247 6.078 -13.984 1.00 0.00 C ATOM 0 H ALA A 16 -0.283 4.732 -11.910 1.00 0.00 H new ATOM 0 HA ALA A 16 1.633 5.059 -13.779 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.020 6.575 -14.916 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.787 5.157 -14.206 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.881 6.736 -13.390 1.00 0.00 H new ATOM 241 N GLN A 17 3.167 6.869 -13.083 1.00 0.00 N ATOM 242 CA GLN A 17 4.085 7.992 -12.908 1.00 0.00 C ATOM 243 C GLN A 17 3.715 8.821 -11.685 1.00 0.00 C ATOM 244 O GLN A 17 2.910 9.748 -11.773 1.00 0.00 O ATOM 245 CB GLN A 17 4.081 8.875 -14.156 1.00 0.00 C ATOM 246 CG GLN A 17 4.508 8.148 -15.420 1.00 0.00 C ATOM 247 CD GLN A 17 4.489 9.044 -16.642 1.00 0.00 C ATOM 248 OE1 GLN A 17 3.449 9.591 -17.010 1.00 0.00 O ATOM 249 NE2 GLN A 17 5.644 9.201 -17.279 1.00 0.00 N ATOM 0 H GLN A 17 3.626 5.981 -13.284 1.00 0.00 H new ATOM 0 HA GLN A 17 5.086 7.588 -12.756 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.079 9.279 -14.301 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.746 9.723 -13.993 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.513 7.748 -15.283 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.846 7.298 -15.587 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.482 8.729 -16.939 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.693 9.794 -18.108 1.00 0.00 H new ATOM 258 N ASP A 18 4.309 8.487 -10.546 1.00 0.00 N ATOM 259 CA ASP A 18 4.037 9.209 -9.314 1.00 0.00 C ATOM 260 C ASP A 18 4.932 8.725 -8.179 1.00 0.00 C ATOM 261 O ASP A 18 4.488 8.604 -7.037 1.00 0.00 O ATOM 262 CB ASP A 18 2.564 9.056 -8.926 1.00 0.00 C ATOM 263 CG ASP A 18 2.199 9.864 -7.696 1.00 0.00 C ATOM 264 OD1 ASP A 18 2.349 11.104 -7.734 1.00 0.00 O ATOM 265 OD2 ASP A 18 1.762 9.258 -6.695 1.00 0.00 O ATOM 0 H ASP A 18 4.979 7.724 -10.452 1.00 0.00 H new ATOM 0 HA ASP A 18 4.254 10.263 -9.488 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.938 9.369 -9.761 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.348 8.004 -8.742 1.00 0.00 H new ATOM 270 N LYS A 19 6.197 8.457 -8.494 1.00 0.00 N ATOM 271 CA LYS A 19 7.146 8.002 -7.490 1.00 0.00 C ATOM 272 C LYS A 19 6.734 6.635 -6.956 1.00 0.00 C ATOM 273 O LYS A 19 6.045 5.876 -7.638 1.00 0.00 O ATOM 274 CB LYS A 19 7.230 9.043 -6.369 1.00 0.00 C ATOM 275 CG LYS A 19 7.741 10.405 -6.822 1.00 0.00 C ATOM 276 CD LYS A 19 6.735 11.128 -7.706 1.00 0.00 C ATOM 277 CE LYS A 19 7.189 12.544 -8.022 1.00 0.00 C ATOM 278 NZ LYS A 19 6.210 13.261 -8.886 1.00 0.00 N ATOM 0 H LYS A 19 6.584 8.548 -9.433 1.00 0.00 H new ATOM 0 HA LYS A 19 8.135 7.893 -7.936 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.241 9.166 -5.927 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.884 8.664 -5.584 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.962 11.018 -5.948 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.677 10.278 -7.367 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.599 10.573 -8.634 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.766 11.158 -7.207 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.327 13.097 -7.093 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.158 12.512 -8.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.556 14.223 -9.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.097 12.747 -9.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.292 13.314 -8.400 1.00 0.00 H new ATOM 292 N LEU A 20 7.166 6.319 -5.747 1.00 0.00 N ATOM 293 CA LEU A 20 6.848 5.035 -5.140 1.00 0.00 C ATOM 294 C LEU A 20 5.665 5.159 -4.188 1.00 0.00 C ATOM 295 O LEU A 20 5.740 5.846 -3.169 1.00 0.00 O ATOM 296 CB LEU A 20 8.056 4.495 -4.376 1.00 0.00 C ATOM 297 CG LEU A 20 7.806 3.182 -3.634 1.00 0.00 C ATOM 298 CD1 LEU A 20 7.488 2.064 -4.614 1.00 0.00 C ATOM 299 CD2 LEU A 20 9.004 2.823 -2.772 1.00 0.00 C ATOM 0 H LEU A 20 7.737 6.932 -5.166 1.00 0.00 H new ATOM 0 HA LEU A 20 6.585 4.344 -5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.877 4.350 -5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.380 5.247 -3.657 1.00 0.00 H new ATOM 0 HG LEU A 20 6.943 3.313 -2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.313 1.138 -4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.595 2.322 -5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.327 1.929 -5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.809 1.886 -2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.886 2.711 -3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.178 3.614 -2.043 1.00 0.00 H new ATOM 311 N VAL A 21 4.576 4.487 -4.532 1.00 0.00 N ATOM 312 CA VAL A 21 3.372 4.509 -3.719 1.00 0.00 C ATOM 313 C VAL A 21 3.258 3.238 -2.886 1.00 0.00 C ATOM 314 O VAL A 21 3.446 2.132 -3.393 1.00 0.00 O ATOM 315 CB VAL A 21 2.110 4.658 -4.589 1.00 0.00 C ATOM 316 CG1 VAL A 21 0.861 4.741 -3.722 1.00 0.00 C ATOM 317 CG2 VAL A 21 2.223 5.879 -5.488 1.00 0.00 C ATOM 0 H VAL A 21 4.503 3.917 -5.375 1.00 0.00 H new ATOM 0 HA VAL A 21 3.447 5.371 -3.057 1.00 0.00 H new ATOM 0 HB VAL A 21 2.025 3.774 -5.220 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.018 4.846 -4.359 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.771 3.833 -3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.934 5.604 -3.060 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.322 5.968 -6.095 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.337 6.773 -4.875 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.091 5.772 -6.139 1.00 0.00 H new ATOM 327 N VAL A 22 2.950 3.401 -1.605 1.00 0.00 N ATOM 328 CA VAL A 22 2.813 2.265 -0.706 1.00 0.00 C ATOM 329 C VAL A 22 1.344 1.911 -0.510 1.00 0.00 C ATOM 330 O VAL A 22 0.677 2.448 0.375 1.00 0.00 O ATOM 331 CB VAL A 22 3.451 2.550 0.666 1.00 0.00 C ATOM 332 CG1 VAL A 22 3.360 1.328 1.568 1.00 0.00 C ATOM 333 CG2 VAL A 22 4.897 2.989 0.497 1.00 0.00 C ATOM 0 H VAL A 22 2.791 4.308 -1.167 1.00 0.00 H new ATOM 0 HA VAL A 22 3.334 1.426 -1.166 1.00 0.00 H new ATOM 0 HB VAL A 22 2.898 3.361 1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.817 1.552 2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.313 1.062 1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.884 0.493 1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.334 3.187 1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.461 2.200 0.000 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.934 3.896 -0.107 1.00 0.00 H new ATOM 343 N VAL A 23 0.846 1.010 -1.348 1.00 0.00 N ATOM 344 CA VAL A 23 -0.544 0.588 -1.271 1.00 0.00 C ATOM 345 C VAL A 23 -0.666 -0.754 -0.561 1.00 0.00 C ATOM 346 O VAL A 23 -0.051 -1.740 -0.965 1.00 0.00 O ATOM 347 CB VAL A 23 -1.175 0.481 -2.670 1.00 0.00 C ATOM 348 CG1 VAL A 23 -2.670 0.219 -2.561 1.00 0.00 C ATOM 349 CG2 VAL A 23 -0.896 1.741 -3.475 1.00 0.00 C ATOM 0 H VAL A 23 1.385 0.559 -2.087 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.079 1.347 -0.701 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.724 -0.361 -3.194 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.100 0.146 -3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.838 -0.715 -2.025 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.144 1.038 -2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.349 1.650 -4.462 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.319 2.603 -2.960 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.181 1.874 -3.581 1.00 0.00 H new ATOM 359 N ASP A 24 -1.457 -0.779 0.503 1.00 0.00 N ATOM 360 CA ASP A 24 -1.653 -1.997 1.277 1.00 0.00 C ATOM 361 C ASP A 24 -2.968 -2.680 0.904 1.00 0.00 C ATOM 362 O ASP A 24 -4.011 -2.034 0.818 1.00 0.00 O ATOM 363 CB ASP A 24 -1.631 -1.675 2.772 1.00 0.00 C ATOM 364 CG ASP A 24 -1.788 -2.911 3.636 1.00 0.00 C ATOM 365 OD1 ASP A 24 -2.828 -3.589 3.514 1.00 0.00 O ATOM 366 OD2 ASP A 24 -0.871 -3.199 4.433 1.00 0.00 O ATOM 0 H ASP A 24 -1.973 0.030 0.850 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.839 -2.684 1.046 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.692 -1.180 3.020 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.432 -0.972 3.001 1.00 0.00 H new ATOM 371 N PHE A 25 -2.908 -3.991 0.689 1.00 0.00 N ATOM 372 CA PHE A 25 -4.076 -4.770 0.331 1.00 0.00 C ATOM 373 C PHE A 25 -4.632 -5.479 1.561 1.00 0.00 C ATOM 374 O PHE A 25 -4.798 -6.699 1.570 1.00 0.00 O ATOM 375 CB PHE A 25 -3.691 -5.792 -0.733 1.00 0.00 C ATOM 376 CG PHE A 25 -3.435 -5.206 -2.090 1.00 0.00 C ATOM 377 CD1 PHE A 25 -2.503 -4.194 -2.276 1.00 0.00 C ATOM 378 CD2 PHE A 25 -4.109 -5.699 -3.189 1.00 0.00 C ATOM 379 CE1 PHE A 25 -2.258 -3.685 -3.537 1.00 0.00 C ATOM 380 CE2 PHE A 25 -3.873 -5.194 -4.448 1.00 0.00 C ATOM 381 CZ PHE A 25 -2.945 -4.186 -4.625 1.00 0.00 C ATOM 0 H PHE A 25 -2.049 -4.536 0.759 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.846 -4.107 -0.064 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.797 -6.321 -0.404 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.487 -6.532 -0.814 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.964 -3.801 -1.427 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.831 -6.492 -3.060 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.531 -2.898 -3.671 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.413 -5.586 -5.297 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.757 -3.791 -5.612 1.00 0.00 H new ATOM 391 N TYR A 26 -4.908 -4.702 2.605 1.00 0.00 N ATOM 392 CA TYR A 26 -5.435 -5.247 3.849 1.00 0.00 C ATOM 393 C TYR A 26 -6.691 -6.074 3.614 1.00 0.00 C ATOM 394 O TYR A 26 -7.485 -5.778 2.726 1.00 0.00 O ATOM 395 CB TYR A 26 -5.716 -4.124 4.852 1.00 0.00 C ATOM 396 CG TYR A 26 -6.414 -2.917 4.260 1.00 0.00 C ATOM 397 CD1 TYR A 26 -7.612 -3.042 3.568 1.00 0.00 C ATOM 398 CD2 TYR A 26 -5.872 -1.642 4.403 1.00 0.00 C ATOM 399 CE1 TYR A 26 -8.249 -1.938 3.036 1.00 0.00 C ATOM 400 CE2 TYR A 26 -6.501 -0.538 3.878 1.00 0.00 C ATOM 401 CZ TYR A 26 -7.689 -0.687 3.194 1.00 0.00 C ATOM 402 OH TYR A 26 -8.318 0.412 2.664 1.00 0.00 O ATOM 0 H TYR A 26 -4.774 -3.691 2.612 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.675 -5.909 4.264 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.328 -4.521 5.662 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.772 -3.803 5.293 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.053 -4.020 3.444 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.941 -1.518 4.936 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.179 -2.053 2.500 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.066 0.443 4.001 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.286 0.259 2.649 1.00 0.00 H new ATOM 412 N ALA A 27 -6.862 -7.115 4.420 1.00 0.00 N ATOM 413 CA ALA A 27 -8.021 -7.987 4.301 1.00 0.00 C ATOM 414 C ALA A 27 -9.307 -7.224 4.591 1.00 0.00 C ATOM 415 O ALA A 27 -9.328 -6.315 5.422 1.00 0.00 O ATOM 416 CB ALA A 27 -7.885 -9.175 5.240 1.00 0.00 C ATOM 0 H ALA A 27 -6.212 -7.375 5.162 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.069 -8.354 3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.759 -9.819 5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.988 -9.739 4.986 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.811 -8.820 6.268 1.00 0.00 H new ATOM 422 N THR A 28 -10.378 -7.601 3.903 1.00 0.00 N ATOM 423 CA THR A 28 -11.672 -6.952 4.087 1.00 0.00 C ATOM 424 C THR A 28 -12.365 -7.424 5.365 1.00 0.00 C ATOM 425 O THR A 28 -13.465 -6.973 5.681 1.00 0.00 O ATOM 426 CB THR A 28 -12.573 -7.222 2.883 1.00 0.00 C ATOM 427 OG1 THR A 28 -13.894 -6.777 3.137 1.00 0.00 O ATOM 428 CG2 THR A 28 -12.649 -8.686 2.504 1.00 0.00 C ATOM 0 H THR A 28 -10.377 -8.352 3.213 1.00 0.00 H new ATOM 0 HA THR A 28 -11.492 -5.881 4.177 1.00 0.00 H new ATOM 0 HB THR A 28 -12.120 -6.673 2.057 1.00 0.00 H new ATOM 0 HG1 THR A 28 -13.955 -6.442 4.056 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.305 -8.805 1.642 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.652 -9.049 2.254 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.044 -9.259 3.343 1.00 0.00 H new ATOM 436 N TRP A 29 -11.730 -8.341 6.089 1.00 0.00 N ATOM 437 CA TRP A 29 -12.307 -8.874 7.319 1.00 0.00 C ATOM 438 C TRP A 29 -11.360 -8.728 8.510 1.00 0.00 C ATOM 439 O TRP A 29 -11.812 -8.527 9.638 1.00 0.00 O ATOM 440 CB TRP A 29 -12.683 -10.344 7.130 1.00 0.00 C ATOM 441 CG TRP A 29 -11.696 -11.099 6.298 1.00 0.00 C ATOM 442 CD1 TRP A 29 -11.705 -11.242 4.941 1.00 0.00 C ATOM 443 CD2 TRP A 29 -10.530 -11.780 6.766 1.00 0.00 C ATOM 444 NE1 TRP A 29 -10.629 -11.994 4.539 1.00 0.00 N ATOM 445 CE2 TRP A 29 -9.890 -12.331 5.642 1.00 0.00 C ATOM 446 CE3 TRP A 29 -9.971 -11.980 8.028 1.00 0.00 C ATOM 447 CZ2 TRP A 29 -8.716 -13.070 5.743 1.00 0.00 C ATOM 448 CZ3 TRP A 29 -8.806 -12.711 8.130 1.00 0.00 C ATOM 449 CH2 TRP A 29 -8.186 -13.248 6.992 1.00 0.00 C ATOM 0 H TRP A 29 -10.819 -8.730 5.846 1.00 0.00 H new ATOM 0 HA TRP A 29 -13.202 -8.291 7.537 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -12.766 -10.820 8.107 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -13.666 -10.404 6.662 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -12.450 -10.825 4.280 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.415 -12.258 3.577 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.442 -11.570 8.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.240 -13.488 4.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -8.364 -12.873 9.102 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.272 -13.813 7.104 1.00 0.00 H new ATOM 460 N CYS A 30 -10.050 -8.835 8.271 1.00 0.00 N ATOM 461 CA CYS A 30 -9.070 -8.716 9.353 1.00 0.00 C ATOM 462 C CYS A 30 -9.384 -7.500 10.225 1.00 0.00 C ATOM 463 O CYS A 30 -10.087 -6.585 9.793 1.00 0.00 O ATOM 464 CB CYS A 30 -7.647 -8.597 8.798 1.00 0.00 C ATOM 465 SG CYS A 30 -6.359 -8.729 10.063 1.00 0.00 S ATOM 0 H CYS A 30 -9.647 -9.002 7.349 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.132 -9.620 9.959 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.492 -9.376 8.051 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.545 -7.640 8.287 1.00 0.00 H new ATOM 0 HG CYS A 30 -5.210 -8.938 9.492 1.00 0.00 H new ATOM 471 N GLY A 31 -8.875 -7.493 11.453 1.00 0.00 N ATOM 472 CA GLY A 31 -9.133 -6.382 12.353 1.00 0.00 C ATOM 473 C GLY A 31 -7.958 -5.428 12.482 1.00 0.00 C ATOM 474 O GLY A 31 -8.062 -4.259 12.113 1.00 0.00 O ATOM 0 H GLY A 31 -8.290 -8.234 11.841 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.003 -5.830 11.997 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.385 -6.773 13.339 1.00 0.00 H new ATOM 478 N PRO A 32 -6.820 -5.898 13.022 1.00 0.00 N ATOM 479 CA PRO A 32 -5.625 -5.066 13.212 1.00 0.00 C ATOM 480 C PRO A 32 -5.251 -4.253 11.973 1.00 0.00 C ATOM 481 O PRO A 32 -4.588 -3.223 12.078 1.00 0.00 O ATOM 482 CB PRO A 32 -4.537 -6.091 13.527 1.00 0.00 C ATOM 483 CG PRO A 32 -5.264 -7.221 14.170 1.00 0.00 C ATOM 484 CD PRO A 32 -6.614 -7.278 13.504 1.00 0.00 C ATOM 0 HA PRO A 32 -5.777 -4.318 13.990 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.022 -6.414 12.622 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.781 -5.675 14.193 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.724 -8.158 14.038 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.365 -7.060 15.243 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.627 -7.996 12.684 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.394 -7.579 14.203 1.00 0.00 H new ATOM 492 N CYS A 33 -5.669 -4.723 10.801 1.00 0.00 N ATOM 493 CA CYS A 33 -5.362 -4.033 9.552 1.00 0.00 C ATOM 494 C CYS A 33 -5.884 -2.596 9.555 1.00 0.00 C ATOM 495 O CYS A 33 -5.131 -1.655 9.317 1.00 0.00 O ATOM 496 CB CYS A 33 -5.953 -4.791 8.364 1.00 0.00 C ATOM 497 SG CYS A 33 -5.189 -6.400 8.064 1.00 0.00 S ATOM 0 H CYS A 33 -6.219 -5.575 10.690 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.276 -4.000 9.459 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.021 -4.933 8.532 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.850 -4.179 7.468 1.00 0.00 H new ATOM 0 HG CYS A 33 -5.577 -7.241 8.976 1.00 0.00 H new ATOM 503 N LYS A 34 -7.181 -2.431 9.809 1.00 0.00 N ATOM 504 CA LYS A 34 -7.799 -1.106 9.821 1.00 0.00 C ATOM 505 C LYS A 34 -7.039 -0.136 10.721 1.00 0.00 C ATOM 506 O LYS A 34 -7.039 1.073 10.484 1.00 0.00 O ATOM 507 CB LYS A 34 -9.260 -1.199 10.268 1.00 0.00 C ATOM 508 CG LYS A 34 -9.979 0.141 10.279 1.00 0.00 C ATOM 509 CD LYS A 34 -11.434 -0.006 10.694 1.00 0.00 C ATOM 510 CE LYS A 34 -11.563 -0.585 12.094 1.00 0.00 C ATOM 511 NZ LYS A 34 -12.984 -0.734 12.505 1.00 0.00 N ATOM 0 H LYS A 34 -7.824 -3.197 10.009 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.760 -0.720 8.802 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.791 -1.882 9.605 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.299 -1.631 11.268 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.472 0.821 10.964 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.927 0.590 9.287 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.923 0.967 10.656 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.952 -0.651 9.984 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.071 -1.557 12.131 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.046 0.062 12.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.028 -1.132 13.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.448 0.197 12.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.472 -1.371 11.844 1.00 0.00 H new ATOM 525 N MET A 35 -6.378 -0.669 11.745 1.00 0.00 N ATOM 526 CA MET A 35 -5.603 0.161 12.664 1.00 0.00 C ATOM 527 C MET A 35 -4.294 0.614 12.012 1.00 0.00 C ATOM 528 O MET A 35 -3.485 1.304 12.632 1.00 0.00 O ATOM 529 CB MET A 35 -5.312 -0.614 13.952 1.00 0.00 C ATOM 530 CG MET A 35 -4.564 0.194 15.000 1.00 0.00 C ATOM 531 SD MET A 35 -5.421 1.717 15.444 1.00 0.00 S ATOM 532 CE MET A 35 -6.973 1.067 16.059 1.00 0.00 C ATOM 0 H MET A 35 -6.363 -1.666 11.959 1.00 0.00 H new ATOM 0 HA MET A 35 -6.189 1.047 12.907 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.254 -0.959 14.378 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.729 -1.502 13.707 1.00 0.00 H new ATOM 0 HG2 MET A 35 -4.427 -0.415 15.893 1.00 0.00 H new ATOM 0 HG3 MET A 35 -3.570 0.437 14.625 1.00 0.00 H new ATOM 0 HE1 MET A 35 -7.318 1.678 16.893 1.00 0.00 H new ATOM 0 HE2 MET A 35 -7.717 1.087 15.263 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.830 0.040 16.396 1.00 0.00 H new ATOM 542 N ILE A 36 -4.098 0.216 10.758 1.00 0.00 N ATOM 543 CA ILE A 36 -2.902 0.564 10.005 1.00 0.00 C ATOM 544 C ILE A 36 -3.052 1.910 9.296 1.00 0.00 C ATOM 545 O ILE A 36 -2.061 2.531 8.913 1.00 0.00 O ATOM 546 CB ILE A 36 -2.590 -0.535 8.973 1.00 0.00 C ATOM 547 CG1 ILE A 36 -2.279 -1.850 9.689 1.00 0.00 C ATOM 548 CG2 ILE A 36 -1.440 -0.125 8.073 1.00 0.00 C ATOM 549 CD1 ILE A 36 -1.944 -2.981 8.753 1.00 0.00 C ATOM 0 H ILE A 36 -4.764 -0.356 10.238 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.078 0.647 10.714 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.468 -0.679 8.343 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.443 -1.694 10.371 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.138 -2.135 10.297 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.240 -0.919 7.353 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.703 0.789 7.541 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.550 0.050 8.677 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.735 -3.881 9.331 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.788 -3.165 8.088 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.067 -2.717 8.162 1.00 0.00 H new ATOM 561 N ALA A 37 -4.291 2.360 9.132 1.00 0.00 N ATOM 562 CA ALA A 37 -4.561 3.636 8.476 1.00 0.00 C ATOM 563 C ALA A 37 -3.750 4.779 9.093 1.00 0.00 C ATOM 564 O ALA A 37 -3.194 5.603 8.368 1.00 0.00 O ATOM 565 CB ALA A 37 -6.048 3.951 8.532 1.00 0.00 C ATOM 0 H ALA A 37 -5.124 1.861 9.444 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.253 3.543 7.435 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.237 4.905 8.040 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.606 3.164 8.025 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.368 4.010 9.572 1.00 0.00 H new ATOM 571 N PRO A 38 -3.659 4.852 10.437 1.00 0.00 N ATOM 572 CA PRO A 38 -2.899 5.909 11.099 1.00 0.00 C ATOM 573 C PRO A 38 -1.402 5.722 10.914 1.00 0.00 C ATOM 574 O PRO A 38 -0.674 6.688 10.688 1.00 0.00 O ATOM 575 CB PRO A 38 -3.295 5.788 12.571 1.00 0.00 C ATOM 576 CG PRO A 38 -3.758 4.381 12.742 1.00 0.00 C ATOM 577 CD PRO A 38 -4.272 3.917 11.403 1.00 0.00 C ATOM 0 HA PRO A 38 -3.118 6.894 10.687 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.450 6.006 13.224 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.085 6.495 12.825 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.940 3.745 13.082 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.542 4.323 13.497 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.981 2.886 11.200 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.360 3.955 11.359 1.00 0.00 H new ATOM 585 N MET A 39 -0.944 4.474 10.975 1.00 0.00 N ATOM 586 CA MET A 39 0.455 4.181 10.775 1.00 0.00 C ATOM 587 C MET A 39 0.859 4.567 9.363 1.00 0.00 C ATOM 588 O MET A 39 1.760 5.377 9.166 1.00 0.00 O ATOM 589 CB MET A 39 0.716 2.700 11.015 1.00 0.00 C ATOM 590 CG MET A 39 0.914 2.343 12.476 1.00 0.00 C ATOM 591 SD MET A 39 -0.577 2.584 13.461 1.00 0.00 S ATOM 592 CE MET A 39 -0.001 2.068 15.078 1.00 0.00 C ATOM 0 H MET A 39 -1.527 3.658 11.161 1.00 0.00 H new ATOM 0 HA MET A 39 1.050 4.757 11.484 1.00 0.00 H new ATOM 0 HB2 MET A 39 -0.121 2.124 10.620 1.00 0.00 H new ATOM 0 HB3 MET A 39 1.601 2.401 10.454 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.230 1.303 12.552 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.719 2.951 12.888 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.813 2.160 15.800 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.329 1.030 15.033 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.832 2.700 15.386 1.00 0.00 H new ATOM 602 N ILE A 40 0.155 4.005 8.380 1.00 0.00 N ATOM 603 CA ILE A 40 0.416 4.309 6.975 1.00 0.00 C ATOM 604 C ILE A 40 0.612 5.812 6.775 1.00 0.00 C ATOM 605 O ILE A 40 1.324 6.244 5.869 1.00 0.00 O ATOM 606 CB ILE A 40 -0.741 3.814 6.074 1.00 0.00 C ATOM 607 CG1 ILE A 40 -0.798 2.286 6.071 1.00 0.00 C ATOM 608 CG2 ILE A 40 -0.587 4.342 4.653 1.00 0.00 C ATOM 609 CD1 ILE A 40 -1.894 1.718 5.189 1.00 0.00 C ATOM 0 H ILE A 40 -0.600 3.337 8.532 1.00 0.00 H new ATOM 0 HA ILE A 40 1.330 3.788 6.690 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.677 4.198 6.480 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.164 1.896 5.737 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.947 1.935 7.092 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.412 3.980 4.039 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.596 5.432 4.667 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.357 3.992 4.235 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.873 0.629 5.238 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.863 2.078 5.535 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.735 2.038 4.159 1.00 0.00 H new ATOM 621 N GLU A 41 -0.025 6.599 7.636 1.00 0.00 N ATOM 622 CA GLU A 41 0.069 8.049 7.574 1.00 0.00 C ATOM 623 C GLU A 41 1.356 8.539 8.234 1.00 0.00 C ATOM 624 O GLU A 41 2.018 9.446 7.728 1.00 0.00 O ATOM 625 CB GLU A 41 -1.144 8.673 8.261 1.00 0.00 C ATOM 626 CG GLU A 41 -1.134 10.193 8.258 1.00 0.00 C ATOM 627 CD GLU A 41 -2.337 10.785 8.969 1.00 0.00 C ATOM 628 OE1 GLU A 41 -2.511 10.503 10.172 1.00 0.00 O ATOM 629 OE2 GLU A 41 -3.100 11.531 8.321 1.00 0.00 O ATOM 0 H GLU A 41 -0.616 6.251 8.391 1.00 0.00 H new ATOM 0 HA GLU A 41 0.087 8.352 6.527 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.050 8.324 7.766 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.188 8.321 9.292 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.222 10.548 8.738 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.112 10.551 7.229 1.00 0.00 H new ATOM 636 N LYS A 42 1.703 7.936 9.368 1.00 0.00 N ATOM 637 CA LYS A 42 2.910 8.311 10.097 1.00 0.00 C ATOM 638 C LYS A 42 4.154 8.128 9.234 1.00 0.00 C ATOM 639 O LYS A 42 5.128 8.869 9.371 1.00 0.00 O ATOM 640 CB LYS A 42 3.039 7.481 11.376 1.00 0.00 C ATOM 641 CG LYS A 42 1.922 7.712 12.370 1.00 0.00 C ATOM 642 CD LYS A 42 2.102 6.849 13.605 1.00 0.00 C ATOM 643 CE LYS A 42 0.976 7.070 14.594 1.00 0.00 C ATOM 644 NZ LYS A 42 1.132 6.232 15.815 1.00 0.00 N ATOM 0 H LYS A 42 1.165 7.186 9.802 1.00 0.00 H new ATOM 0 HA LYS A 42 2.827 9.365 10.360 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.064 6.424 11.111 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.991 7.712 11.854 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.899 8.763 12.657 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.963 7.488 11.903 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.136 5.798 13.316 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.056 7.080 14.078 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.945 8.122 14.878 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.024 6.840 14.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.341 6.414 16.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.136 5.227 15.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.028 6.469 16.286 1.00 0.00 H new ATOM 658 N PHE A 43 4.117 7.142 8.344 1.00 0.00 N ATOM 659 CA PHE A 43 5.248 6.873 7.461 1.00 0.00 C ATOM 660 C PHE A 43 5.347 7.919 6.355 1.00 0.00 C ATOM 661 O PHE A 43 6.390 8.057 5.715 1.00 0.00 O ATOM 662 CB PHE A 43 5.135 5.474 6.848 1.00 0.00 C ATOM 663 CG PHE A 43 5.332 4.360 7.840 1.00 0.00 C ATOM 664 CD1 PHE A 43 4.445 4.175 8.891 1.00 0.00 C ATOM 665 CD2 PHE A 43 6.410 3.496 7.719 1.00 0.00 C ATOM 666 CE1 PHE A 43 4.631 3.152 9.799 1.00 0.00 C ATOM 667 CE2 PHE A 43 6.599 2.471 8.626 1.00 0.00 C ATOM 668 CZ PHE A 43 5.708 2.298 9.667 1.00 0.00 C ATOM 0 H PHE A 43 3.321 6.518 8.215 1.00 0.00 H new ATOM 0 HA PHE A 43 6.155 6.923 8.063 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.153 5.368 6.386 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.874 5.375 6.053 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.600 4.839 9.000 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.110 3.626 6.907 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.934 3.020 10.613 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.443 1.805 8.521 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.853 1.497 10.376 1.00 0.00 H new ATOM 678 N SER A 44 4.265 8.657 6.136 1.00 0.00 N ATOM 679 CA SER A 44 4.243 9.691 5.110 1.00 0.00 C ATOM 680 C SER A 44 5.109 10.884 5.511 1.00 0.00 C ATOM 681 O SER A 44 5.369 11.772 4.699 1.00 0.00 O ATOM 682 CB SER A 44 2.807 10.152 4.853 1.00 0.00 C ATOM 683 OG SER A 44 2.765 11.147 3.843 1.00 0.00 O ATOM 0 H SER A 44 3.392 8.558 6.655 1.00 0.00 H new ATOM 0 HA SER A 44 4.652 9.264 4.194 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.196 9.300 4.555 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.377 10.546 5.774 1.00 0.00 H new ATOM 0 HG SER A 44 3.638 11.588 3.781 1.00 0.00 H new ATOM 689 N GLU A 45 5.553 10.903 6.767 1.00 0.00 N ATOM 690 CA GLU A 45 6.389 11.990 7.265 1.00 0.00 C ATOM 691 C GLU A 45 7.864 11.718 6.985 1.00 0.00 C ATOM 692 O GLU A 45 8.669 12.645 6.902 1.00 0.00 O ATOM 693 CB GLU A 45 6.171 12.189 8.768 1.00 0.00 C ATOM 694 CG GLU A 45 4.830 12.814 9.130 1.00 0.00 C ATOM 695 CD GLU A 45 3.642 11.984 8.681 1.00 0.00 C ATOM 696 OE1 GLU A 45 3.413 11.880 7.458 1.00 0.00 O ATOM 697 OE2 GLU A 45 2.938 11.436 9.556 1.00 0.00 O ATOM 0 H GLU A 45 5.347 10.179 7.456 1.00 0.00 H new ATOM 0 HA GLU A 45 6.100 12.901 6.741 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.255 11.223 9.266 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.970 12.820 9.159 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.781 12.952 10.210 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.764 13.804 8.679 1.00 0.00 H new ATOM 704 N GLN A 46 8.211 10.441 6.841 1.00 0.00 N ATOM 705 CA GLN A 46 9.590 10.050 6.571 1.00 0.00 C ATOM 706 C GLN A 46 9.870 9.979 5.074 1.00 0.00 C ATOM 707 O GLN A 46 10.973 10.291 4.625 1.00 0.00 O ATOM 708 CB GLN A 46 9.892 8.702 7.224 1.00 0.00 C ATOM 709 CG GLN A 46 9.757 8.728 8.735 1.00 0.00 C ATOM 710 CD GLN A 46 10.062 7.387 9.372 1.00 0.00 C ATOM 711 OE1 GLN A 46 11.164 6.854 9.229 1.00 0.00 O ATOM 712 NE2 GLN A 46 9.086 6.833 10.083 1.00 0.00 N ATOM 0 H GLN A 46 7.556 9.661 6.907 1.00 0.00 H new ATOM 0 HA GLN A 46 10.241 10.813 6.998 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.216 7.949 6.818 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.905 8.397 6.961 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.431 9.481 9.143 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.744 9.030 9.000 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.189 7.309 10.175 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.234 5.931 10.537 1.00 0.00 H new ATOM 721 N TYR A 47 8.870 9.563 4.301 1.00 0.00 N ATOM 722 CA TYR A 47 9.021 9.453 2.855 1.00 0.00 C ATOM 723 C TYR A 47 7.976 10.290 2.111 1.00 0.00 C ATOM 724 O TYR A 47 7.389 9.829 1.133 1.00 0.00 O ATOM 725 CB TYR A 47 8.906 7.987 2.437 1.00 0.00 C ATOM 726 CG TYR A 47 9.899 7.085 3.129 1.00 0.00 C ATOM 727 CD1 TYR A 47 11.255 7.148 2.831 1.00 0.00 C ATOM 728 CD2 TYR A 47 9.481 6.174 4.088 1.00 0.00 C ATOM 729 CE1 TYR A 47 12.165 6.323 3.467 1.00 0.00 C ATOM 730 CE2 TYR A 47 10.382 5.346 4.731 1.00 0.00 C ATOM 731 CZ TYR A 47 11.722 5.424 4.415 1.00 0.00 C ATOM 732 OH TYR A 47 12.624 4.603 5.053 1.00 0.00 O ATOM 0 H TYR A 47 7.950 9.298 4.652 1.00 0.00 H new ATOM 0 HA TYR A 47 10.005 9.838 2.589 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.897 7.635 2.650 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.049 7.912 1.359 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.604 7.853 2.091 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.432 6.110 4.337 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.215 6.382 3.223 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.039 4.643 5.476 1.00 0.00 H new ATOM 0 HH TYR A 47 12.321 3.673 4.991 1.00 0.00 H new ATOM 742 N PRO A 48 7.725 11.533 2.569 1.00 0.00 N ATOM 743 CA PRO A 48 6.745 12.429 1.947 1.00 0.00 C ATOM 744 C PRO A 48 6.749 12.359 0.423 1.00 0.00 C ATOM 745 O PRO A 48 5.716 12.534 -0.221 1.00 0.00 O ATOM 746 CB PRO A 48 7.199 13.806 2.418 1.00 0.00 C ATOM 747 CG PRO A 48 7.814 13.567 3.756 1.00 0.00 C ATOM 748 CD PRO A 48 8.365 12.161 3.740 1.00 0.00 C ATOM 0 HA PRO A 48 5.724 12.169 2.227 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.917 14.244 1.725 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.359 14.498 2.486 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.606 14.290 3.952 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.074 13.683 4.548 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.451 12.160 3.648 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.123 11.628 4.659 1.00 0.00 H new ATOM 756 N GLN A 49 7.919 12.100 -0.140 1.00 0.00 N ATOM 757 CA GLN A 49 8.066 12.004 -1.589 1.00 0.00 C ATOM 758 C GLN A 49 7.206 10.879 -2.147 1.00 0.00 C ATOM 759 O GLN A 49 6.631 10.998 -3.229 1.00 0.00 O ATOM 760 CB GLN A 49 9.531 11.769 -1.964 1.00 0.00 C ATOM 761 CG GLN A 49 10.455 12.912 -1.568 1.00 0.00 C ATOM 762 CD GLN A 49 10.160 14.222 -2.287 1.00 0.00 C ATOM 763 OE1 GLN A 49 10.735 15.259 -1.955 1.00 0.00 O ATOM 764 NE2 GLN A 49 9.278 14.193 -3.286 1.00 0.00 N ATOM 0 H GLN A 49 8.783 11.952 0.382 1.00 0.00 H new ATOM 0 HA GLN A 49 7.734 12.947 -2.023 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.876 10.852 -1.486 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.601 11.613 -3.041 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.377 13.073 -0.493 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.485 12.621 -1.772 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.819 13.317 -3.536 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.062 15.047 -3.801 1.00 0.00 H new ATOM 773 N ALA A 50 7.125 9.785 -1.399 1.00 0.00 N ATOM 774 CA ALA A 50 6.338 8.631 -1.812 1.00 0.00 C ATOM 775 C ALA A 50 4.904 8.738 -1.306 1.00 0.00 C ATOM 776 O ALA A 50 4.650 9.314 -0.248 1.00 0.00 O ATOM 777 CB ALA A 50 6.984 7.351 -1.306 1.00 0.00 C ATOM 0 H ALA A 50 7.596 9.673 -0.501 1.00 0.00 H new ATOM 0 HA ALA A 50 6.310 8.607 -2.901 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.388 6.494 -1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.990 7.264 -1.717 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.038 7.376 -0.218 1.00 0.00 H new ATOM 783 N ASP A 51 3.969 8.181 -2.068 1.00 0.00 N ATOM 784 CA ASP A 51 2.561 8.212 -1.694 1.00 0.00 C ATOM 785 C ASP A 51 2.203 6.996 -0.848 1.00 0.00 C ATOM 786 O ASP A 51 2.786 5.925 -1.007 1.00 0.00 O ATOM 787 CB ASP A 51 1.680 8.255 -2.944 1.00 0.00 C ATOM 788 CG ASP A 51 1.958 9.470 -3.806 1.00 0.00 C ATOM 789 OD1 ASP A 51 3.107 9.615 -4.275 1.00 0.00 O ATOM 790 OD2 ASP A 51 1.027 10.277 -4.016 1.00 0.00 O ATOM 0 H ASP A 51 4.161 7.703 -2.948 1.00 0.00 H new ATOM 0 HA ASP A 51 2.384 9.112 -1.104 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.843 7.351 -3.531 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.631 8.257 -2.646 1.00 0.00 H new ATOM 795 N PHE A 52 1.244 7.168 0.055 1.00 0.00 N ATOM 796 CA PHE A 52 0.815 6.080 0.925 1.00 0.00 C ATOM 797 C PHE A 52 -0.689 5.852 0.831 1.00 0.00 C ATOM 798 O PHE A 52 -1.459 6.380 1.633 1.00 0.00 O ATOM 799 CB PHE A 52 1.211 6.370 2.375 1.00 0.00 C ATOM 800 CG PHE A 52 2.696 6.366 2.604 1.00 0.00 C ATOM 801 CD1 PHE A 52 3.516 7.267 1.946 1.00 0.00 C ATOM 802 CD2 PHE A 52 3.269 5.454 3.475 1.00 0.00 C ATOM 803 CE1 PHE A 52 4.882 7.261 2.154 1.00 0.00 C ATOM 804 CE2 PHE A 52 4.634 5.444 3.688 1.00 0.00 C ATOM 805 CZ PHE A 52 5.442 6.347 3.027 1.00 0.00 C ATOM 0 H PHE A 52 0.750 8.048 0.203 1.00 0.00 H new ATOM 0 HA PHE A 52 1.316 5.171 0.591 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.809 7.341 2.666 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.749 5.627 3.025 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.083 7.982 1.263 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.642 4.743 3.993 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.511 7.969 1.635 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.069 4.730 4.372 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.509 6.340 3.191 1.00 0.00 H new ATOM 815 N TYR A 53 -1.098 5.052 -0.146 1.00 0.00 N ATOM 816 CA TYR A 53 -2.510 4.737 -0.337 1.00 0.00 C ATOM 817 C TYR A 53 -2.842 3.383 0.269 1.00 0.00 C ATOM 818 O TYR A 53 -1.993 2.748 0.896 1.00 0.00 O ATOM 819 CB TYR A 53 -2.869 4.747 -1.824 1.00 0.00 C ATOM 820 CG TYR A 53 -3.023 6.134 -2.405 1.00 0.00 C ATOM 821 CD1 TYR A 53 -4.096 6.941 -2.046 1.00 0.00 C ATOM 822 CD2 TYR A 53 -2.101 6.635 -3.314 1.00 0.00 C ATOM 823 CE1 TYR A 53 -4.244 8.207 -2.575 1.00 0.00 C ATOM 824 CE2 TYR A 53 -2.241 7.902 -3.847 1.00 0.00 C ATOM 825 CZ TYR A 53 -3.314 8.683 -3.475 1.00 0.00 C ATOM 826 OH TYR A 53 -3.457 9.945 -4.004 1.00 0.00 O ATOM 0 H TYR A 53 -0.472 4.609 -0.819 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.099 5.502 0.169 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.096 4.215 -2.378 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.800 4.198 -1.967 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.826 6.571 -1.341 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.261 6.024 -3.609 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.084 8.822 -2.286 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.514 8.278 -4.551 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.717 10.127 -4.620 1.00 0.00 H new ATOM 836 N LYS A 54 -4.080 2.945 0.089 1.00 0.00 N ATOM 837 CA LYS A 54 -4.514 1.669 0.630 1.00 0.00 C ATOM 838 C LYS A 54 -5.535 1.003 -0.286 1.00 0.00 C ATOM 839 O LYS A 54 -6.468 1.646 -0.769 1.00 0.00 O ATOM 840 CB LYS A 54 -5.088 1.878 2.030 1.00 0.00 C ATOM 841 CG LYS A 54 -4.091 2.530 2.975 1.00 0.00 C ATOM 842 CD LYS A 54 -4.653 2.747 4.373 1.00 0.00 C ATOM 843 CE LYS A 54 -5.796 3.751 4.383 1.00 0.00 C ATOM 844 NZ LYS A 54 -7.043 3.191 3.806 1.00 0.00 N ATOM 0 H LYS A 54 -4.798 3.454 -0.426 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.654 1.002 0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.981 2.499 1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.397 0.917 2.440 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.199 1.907 3.040 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.780 3.489 2.561 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.004 1.796 4.774 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.858 3.097 5.032 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.985 4.073 5.407 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.503 4.637 3.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.841 3.395 4.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.220 3.623 2.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.943 2.162 3.696 1.00 0.00 H new ATOM 858 N LEU A 55 -5.336 -0.288 -0.535 1.00 0.00 N ATOM 859 CA LEU A 55 -6.222 -1.047 -1.407 1.00 0.00 C ATOM 860 C LEU A 55 -7.368 -1.668 -0.615 1.00 0.00 C ATOM 861 O LEU A 55 -7.175 -2.161 0.496 1.00 0.00 O ATOM 862 CB LEU A 55 -5.423 -2.129 -2.137 1.00 0.00 C ATOM 863 CG LEU A 55 -6.150 -2.818 -3.294 1.00 0.00 C ATOM 864 CD1 LEU A 55 -7.266 -3.713 -2.776 1.00 0.00 C ATOM 865 CD2 LEU A 55 -6.700 -1.785 -4.265 1.00 0.00 C ATOM 0 H LEU A 55 -4.566 -0.830 -0.143 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.656 -0.368 -2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.507 -1.682 -2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.127 -2.888 -1.413 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.432 -3.444 -3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.768 -4.192 -3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.846 -4.477 -2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.985 -3.113 -2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.214 -2.291 -5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.401 -1.133 -3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.880 -1.190 -4.666 1.00 0.00 H new ATOM 877 N ASP A 56 -8.565 -1.625 -1.193 1.00 0.00 N ATOM 878 CA ASP A 56 -9.750 -2.168 -0.539 1.00 0.00 C ATOM 879 C ASP A 56 -10.030 -3.597 -0.989 1.00 0.00 C ATOM 880 O ASP A 56 -10.587 -3.819 -2.064 1.00 0.00 O ATOM 881 CB ASP A 56 -10.969 -1.292 -0.840 1.00 0.00 C ATOM 882 CG ASP A 56 -12.187 -1.693 -0.031 1.00 0.00 C ATOM 883 OD1 ASP A 56 -12.084 -2.653 0.763 1.00 0.00 O ATOM 884 OD2 ASP A 56 -13.246 -1.049 -0.189 1.00 0.00 O ATOM 0 H ASP A 56 -8.739 -1.220 -2.113 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.559 -2.176 0.534 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.725 -0.251 -0.630 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.205 -1.356 -1.902 1.00 0.00 H new ATOM 889 N VAL A 57 -9.665 -4.566 -0.155 1.00 0.00 N ATOM 890 CA VAL A 57 -9.909 -5.969 -0.471 1.00 0.00 C ATOM 891 C VAL A 57 -11.409 -6.270 -0.446 1.00 0.00 C ATOM 892 O VAL A 57 -11.849 -7.319 -0.914 1.00 0.00 O ATOM 893 CB VAL A 57 -9.163 -6.908 0.505 1.00 0.00 C ATOM 894 CG1 VAL A 57 -9.577 -8.360 0.297 1.00 0.00 C ATOM 895 CG2 VAL A 57 -7.660 -6.756 0.325 1.00 0.00 C ATOM 0 H VAL A 57 -9.202 -4.407 0.740 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.525 -6.152 -1.475 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.432 -6.626 1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.036 -8.996 0.997 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.649 -8.461 0.468 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.343 -8.662 -0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.142 -7.421 1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.388 -7.013 -0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.372 -5.725 0.528 1.00 0.00 H new ATOM 905 N ASP A 58 -12.185 -5.334 0.096 1.00 0.00 N ATOM 906 CA ASP A 58 -13.631 -5.484 0.175 1.00 0.00 C ATOM 907 C ASP A 58 -14.289 -4.985 -1.107 1.00 0.00 C ATOM 908 O ASP A 58 -15.341 -5.480 -1.515 1.00 0.00 O ATOM 909 CB ASP A 58 -14.177 -4.694 1.367 1.00 0.00 C ATOM 910 CG ASP A 58 -15.649 -4.965 1.621 1.00 0.00 C ATOM 911 OD1 ASP A 58 -16.244 -5.768 0.871 1.00 0.00 O ATOM 912 OD2 ASP A 58 -16.205 -4.374 2.569 1.00 0.00 O ATOM 0 H ASP A 58 -11.832 -4.461 0.488 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.860 -6.542 0.305 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.605 -4.948 2.259 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.033 -3.628 1.189 1.00 0.00 H new ATOM 917 N GLU A 59 -13.665 -3.989 -1.729 1.00 0.00 N ATOM 918 CA GLU A 59 -14.184 -3.402 -2.955 1.00 0.00 C ATOM 919 C GLU A 59 -13.407 -3.893 -4.176 1.00 0.00 C ATOM 920 O GLU A 59 -13.997 -4.369 -5.146 1.00 0.00 O ATOM 921 CB GLU A 59 -14.112 -1.876 -2.868 1.00 0.00 C ATOM 922 CG GLU A 59 -14.721 -1.168 -4.068 1.00 0.00 C ATOM 923 CD GLU A 59 -16.211 -1.421 -4.207 1.00 0.00 C ATOM 924 OE1 GLU A 59 -16.777 -2.135 -3.351 1.00 0.00 O ATOM 925 OE2 GLU A 59 -16.814 -0.905 -5.171 1.00 0.00 O ATOM 0 H GLU A 59 -12.795 -3.571 -1.400 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.223 -3.712 -3.069 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.625 -1.547 -1.964 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.069 -1.575 -2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.546 -0.096 -3.979 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.215 -1.499 -4.975 1.00 0.00 H new ATOM 932 N LEU A 60 -12.084 -3.774 -4.122 1.00 0.00 N ATOM 933 CA LEU A 60 -11.233 -4.208 -5.225 1.00 0.00 C ATOM 934 C LEU A 60 -10.748 -5.638 -5.013 1.00 0.00 C ATOM 935 O LEU A 60 -9.551 -5.918 -5.091 1.00 0.00 O ATOM 936 CB LEU A 60 -10.035 -3.268 -5.381 1.00 0.00 C ATOM 937 CG LEU A 60 -10.372 -1.852 -5.853 1.00 0.00 C ATOM 938 CD1 LEU A 60 -11.291 -1.162 -4.858 1.00 0.00 C ATOM 939 CD2 LEU A 60 -9.103 -1.042 -6.058 1.00 0.00 C ATOM 0 H LEU A 60 -11.579 -3.381 -3.328 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.828 -4.178 -6.137 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.520 -3.201 -4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.335 -3.712 -6.089 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.892 -1.923 -6.808 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.520 -0.156 -5.211 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.215 -1.731 -4.761 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.798 -1.103 -3.888 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.362 -0.038 -6.394 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.555 -0.980 -5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.480 -1.526 -6.810 1.00 0.00 H new ATOM 951 N GLY A 61 -11.685 -6.543 -4.750 1.00 0.00 N ATOM 952 CA GLY A 61 -11.330 -7.933 -4.538 1.00 0.00 C ATOM 953 C GLY A 61 -10.620 -8.540 -5.734 1.00 0.00 C ATOM 954 O GLY A 61 -9.941 -9.558 -5.609 1.00 0.00 O ATOM 0 H GLY A 61 -12.682 -6.339 -4.680 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.688 -8.011 -3.660 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.232 -8.507 -4.325 1.00 0.00 H new ATOM 958 N ASP A 62 -10.780 -7.913 -6.898 1.00 0.00 N ATOM 959 CA ASP A 62 -10.151 -8.400 -8.119 1.00 0.00 C ATOM 960 C ASP A 62 -8.653 -8.118 -8.123 1.00 0.00 C ATOM 961 O ASP A 62 -7.877 -8.859 -8.727 1.00 0.00 O ATOM 962 CB ASP A 62 -10.799 -7.761 -9.336 1.00 0.00 C ATOM 963 CG ASP A 62 -12.280 -8.071 -9.439 1.00 0.00 C ATOM 964 OD1 ASP A 62 -13.028 -7.710 -8.505 1.00 0.00 O ATOM 965 OD2 ASP A 62 -12.693 -8.674 -10.452 1.00 0.00 O ATOM 0 H ASP A 62 -11.339 -7.069 -7.019 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.294 -9.480 -8.159 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.660 -6.681 -9.292 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.295 -8.111 -10.237 1.00 0.00 H new ATOM 970 N VAL A 63 -8.248 -7.047 -7.447 1.00 0.00 N ATOM 971 CA VAL A 63 -6.838 -6.681 -7.382 1.00 0.00 C ATOM 972 C VAL A 63 -6.107 -7.560 -6.367 1.00 0.00 C ATOM 973 O VAL A 63 -5.062 -8.132 -6.666 1.00 0.00 O ATOM 974 CB VAL A 63 -6.651 -5.192 -7.021 1.00 0.00 C ATOM 975 CG1 VAL A 63 -5.223 -4.750 -7.301 1.00 0.00 C ATOM 976 CG2 VAL A 63 -7.639 -4.323 -7.786 1.00 0.00 C ATOM 0 H VAL A 63 -8.873 -6.421 -6.939 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.411 -6.842 -8.372 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.846 -5.073 -5.955 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.110 -3.698 -7.040 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.534 -5.347 -6.704 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.000 -4.888 -8.359 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.489 -3.278 -7.516 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.480 -4.448 -8.857 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.657 -4.621 -7.534 1.00 0.00 H new ATOM 986 N ALA A 64 -6.682 -7.699 -5.174 1.00 0.00 N ATOM 987 CA ALA A 64 -6.091 -8.552 -4.144 1.00 0.00 C ATOM 988 C ALA A 64 -5.915 -9.966 -4.691 1.00 0.00 C ATOM 989 O ALA A 64 -5.060 -10.723 -4.233 1.00 0.00 O ATOM 990 CB ALA A 64 -6.968 -8.568 -2.903 1.00 0.00 C ATOM 0 H ALA A 64 -7.548 -7.237 -4.898 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.115 -8.154 -3.867 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.515 -9.207 -2.145 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.064 -7.555 -2.513 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.955 -8.953 -3.160 1.00 0.00 H new ATOM 996 N GLN A 65 -6.734 -10.307 -5.686 1.00 0.00 N ATOM 997 CA GLN A 65 -6.683 -11.619 -6.317 1.00 0.00 C ATOM 998 C GLN A 65 -5.725 -11.618 -7.507 1.00 0.00 C ATOM 999 O GLN A 65 -5.005 -12.590 -7.733 1.00 0.00 O ATOM 1000 CB GLN A 65 -8.080 -12.043 -6.773 1.00 0.00 C ATOM 1001 CG GLN A 65 -8.117 -13.408 -7.443 1.00 0.00 C ATOM 1002 CD GLN A 65 -9.511 -13.798 -7.894 1.00 0.00 C ATOM 1003 OE1 GLN A 65 -10.125 -13.111 -8.709 1.00 0.00 O ATOM 1004 NE2 GLN A 65 -10.017 -14.905 -7.364 1.00 0.00 N ATOM 0 H GLN A 65 -7.444 -9.685 -6.072 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.315 -12.333 -5.580 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.746 -12.053 -5.910 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.468 -11.297 -7.467 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.448 -13.404 -8.304 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.740 -14.160 -6.749 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.472 -15.444 -6.691 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.951 -15.217 -7.630 1.00 0.00 H new ATOM 1013 N LYS A 66 -5.723 -10.525 -8.273 1.00 0.00 N ATOM 1014 CA LYS A 66 -4.850 -10.421 -9.440 1.00 0.00 C ATOM 1015 C LYS A 66 -3.389 -10.518 -9.016 1.00 0.00 C ATOM 1016 O LYS A 66 -2.585 -11.189 -9.664 1.00 0.00 O ATOM 1017 CB LYS A 66 -5.119 -9.119 -10.213 1.00 0.00 C ATOM 1018 CG LYS A 66 -4.465 -7.879 -9.623 1.00 0.00 C ATOM 1019 CD LYS A 66 -3.027 -7.700 -10.097 1.00 0.00 C ATOM 1020 CE LYS A 66 -2.946 -7.524 -11.606 1.00 0.00 C ATOM 1021 NZ LYS A 66 -1.546 -7.304 -12.065 1.00 0.00 N ATOM 0 H LYS A 66 -6.311 -9.708 -8.107 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.067 -11.252 -10.111 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.770 -9.243 -11.238 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.196 -8.957 -10.260 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.047 -6.999 -9.897 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.481 -7.946 -8.535 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.588 -6.831 -9.606 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.436 -8.566 -9.800 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.354 -8.407 -12.097 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.564 -6.678 -11.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.534 -7.189 -13.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.164 -6.447 -11.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.961 -8.123 -11.801 1.00 0.00 H new ATOM 1035 N ASN A 67 -3.055 -9.854 -7.913 1.00 0.00 N ATOM 1036 CA ASN A 67 -1.707 -9.870 -7.385 1.00 0.00 C ATOM 1037 C ASN A 67 -1.491 -11.090 -6.489 1.00 0.00 C ATOM 1038 O ASN A 67 -0.407 -11.281 -5.936 1.00 0.00 O ATOM 1039 CB ASN A 67 -1.464 -8.589 -6.595 1.00 0.00 C ATOM 1040 CG ASN A 67 -1.486 -7.354 -7.472 1.00 0.00 C ATOM 1041 OD1 ASN A 67 -0.692 -7.226 -8.404 1.00 0.00 O ATOM 1042 ND2 ASN A 67 -2.399 -6.436 -7.177 1.00 0.00 N ATOM 0 H ASN A 67 -3.711 -9.295 -7.368 1.00 0.00 H new ATOM 0 HA ASN A 67 -1.001 -9.930 -8.213 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.225 -8.494 -5.820 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.500 -8.655 -6.090 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.462 -5.583 -7.732 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.037 -6.584 -6.395 1.00 0.00 H new ATOM 1049 N GLU A 68 -2.529 -11.914 -6.354 1.00 0.00 N ATOM 1050 CA GLU A 68 -2.459 -13.113 -5.532 1.00 0.00 C ATOM 1051 C GLU A 68 -2.177 -12.773 -4.072 1.00 0.00 C ATOM 1052 O GLU A 68 -1.414 -13.470 -3.402 1.00 0.00 O ATOM 1053 CB GLU A 68 -1.379 -14.054 -6.068 1.00 0.00 C ATOM 1054 CG GLU A 68 -1.618 -14.486 -7.506 1.00 0.00 C ATOM 1055 CD GLU A 68 -2.904 -15.269 -7.674 1.00 0.00 C ATOM 1056 OE1 GLU A 68 -3.040 -16.334 -7.035 1.00 0.00 O ATOM 1057 OE2 GLU A 68 -3.777 -14.819 -8.444 1.00 0.00 O ATOM 0 H GLU A 68 -3.431 -11.769 -6.807 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.428 -13.609 -5.580 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.410 -13.560 -6.001 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.330 -14.939 -5.433 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.648 -13.604 -8.146 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.779 -15.096 -7.842 1.00 0.00 H new ATOM 1064 N VAL A 69 -2.797 -11.703 -3.577 1.00 0.00 N ATOM 1065 CA VAL A 69 -2.601 -11.296 -2.192 1.00 0.00 C ATOM 1066 C VAL A 69 -3.858 -11.544 -1.365 1.00 0.00 C ATOM 1067 O VAL A 69 -4.852 -10.829 -1.497 1.00 0.00 O ATOM 1068 CB VAL A 69 -2.216 -9.810 -2.092 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -1.933 -9.429 -0.648 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -1.016 -9.507 -2.977 1.00 0.00 C ATOM 0 H VAL A 69 -3.432 -11.109 -4.110 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.784 -11.900 -1.796 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.056 -9.211 -2.444 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.662 -8.374 -0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.823 -9.605 -0.044 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.110 -10.034 -0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.759 -8.451 -2.893 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.168 -10.113 -2.660 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.261 -9.739 -4.014 1.00 0.00 H new ATOM 1080 N SER A 70 -3.805 -12.559 -0.508 1.00 0.00 N ATOM 1081 CA SER A 70 -4.937 -12.899 0.346 1.00 0.00 C ATOM 1082 C SER A 70 -4.532 -12.900 1.818 1.00 0.00 C ATOM 1083 O SER A 70 -5.199 -13.510 2.653 1.00 0.00 O ATOM 1084 CB SER A 70 -5.501 -14.269 -0.042 1.00 0.00 C ATOM 1085 OG SER A 70 -4.526 -15.284 0.119 1.00 0.00 O ATOM 0 H SER A 70 -2.990 -13.160 -0.387 1.00 0.00 H new ATOM 0 HA SER A 70 -5.707 -12.141 0.203 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.372 -14.495 0.574 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.840 -14.247 -1.078 1.00 0.00 H new ATOM 0 HG SER A 70 -4.910 -16.150 -0.133 1.00 0.00 H new ATOM 1091 N ALA A 71 -3.437 -12.210 2.131 1.00 0.00 N ATOM 1092 CA ALA A 71 -2.951 -12.133 3.502 1.00 0.00 C ATOM 1093 C ALA A 71 -3.850 -11.229 4.345 1.00 0.00 C ATOM 1094 O ALA A 71 -5.052 -11.146 4.098 1.00 0.00 O ATOM 1095 CB ALA A 71 -1.513 -11.639 3.519 1.00 0.00 C ATOM 0 H ALA A 71 -2.872 -11.698 1.453 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.979 -13.131 3.939 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.159 -11.585 4.548 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.885 -12.328 2.955 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.463 -10.649 3.066 1.00 0.00 H new ATOM 1101 N MET A 72 -3.278 -10.558 5.345 1.00 0.00 N ATOM 1102 CA MET A 72 -4.065 -9.682 6.203 1.00 0.00 C ATOM 1103 C MET A 72 -3.202 -8.934 7.219 1.00 0.00 C ATOM 1104 O MET A 72 -3.063 -9.378 8.358 1.00 0.00 O ATOM 1105 CB MET A 72 -5.118 -10.505 6.950 1.00 0.00 C ATOM 1106 CG MET A 72 -4.533 -11.685 7.713 1.00 0.00 C ATOM 1107 SD MET A 72 -5.729 -12.475 8.806 1.00 0.00 S ATOM 1108 CE MET A 72 -4.721 -13.768 9.528 1.00 0.00 C ATOM 0 H MET A 72 -2.286 -10.605 5.576 1.00 0.00 H new ATOM 0 HA MET A 72 -4.541 -8.941 5.560 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.647 -9.857 7.648 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.855 -10.873 6.236 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.157 -12.421 7.002 1.00 0.00 H new ATOM 0 HG3 MET A 72 -3.680 -11.345 8.301 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.321 -14.348 10.230 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.351 -14.423 8.740 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.878 -13.321 10.054 1.00 0.00 H new ATOM 1118 N PRO A 73 -2.605 -7.787 6.846 1.00 0.00 N ATOM 1119 CA PRO A 73 -2.706 -7.174 5.517 1.00 0.00 C ATOM 1120 C PRO A 73 -1.533 -7.544 4.600 1.00 0.00 C ATOM 1121 O PRO A 73 -0.872 -8.563 4.799 1.00 0.00 O ATOM 1122 CB PRO A 73 -2.626 -5.703 5.891 1.00 0.00 C ATOM 1123 CG PRO A 73 -1.577 -5.690 6.944 1.00 0.00 C ATOM 1124 CD PRO A 73 -1.759 -6.968 7.729 1.00 0.00 C ATOM 0 HA PRO A 73 -3.592 -7.483 4.963 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.351 -5.083 5.038 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.579 -5.328 6.264 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.582 -5.642 6.503 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.682 -4.818 7.589 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.805 -7.453 7.936 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.239 -6.785 8.690 1.00 0.00 H new ATOM 1132 N THR A 74 -1.274 -6.692 3.604 1.00 0.00 N ATOM 1133 CA THR A 74 -0.175 -6.903 2.663 1.00 0.00 C ATOM 1134 C THR A 74 0.348 -5.564 2.148 1.00 0.00 C ATOM 1135 O THR A 74 -0.415 -4.611 1.996 1.00 0.00 O ATOM 1136 CB THR A 74 -0.632 -7.762 1.484 1.00 0.00 C ATOM 1137 OG1 THR A 74 -1.135 -9.006 1.934 1.00 0.00 O ATOM 1138 CG2 THR A 74 0.472 -8.046 0.486 1.00 0.00 C ATOM 0 H THR A 74 -1.815 -5.845 3.430 1.00 0.00 H new ATOM 0 HA THR A 74 0.626 -7.423 3.189 1.00 0.00 H new ATOM 0 HB THR A 74 -1.408 -7.180 0.987 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.097 -8.928 2.102 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.080 -8.660 -0.325 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.847 -7.106 0.081 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.284 -8.577 0.983 1.00 0.00 H new ATOM 1146 N LEU A 75 1.650 -5.492 1.880 1.00 0.00 N ATOM 1147 CA LEU A 75 2.259 -4.263 1.383 1.00 0.00 C ATOM 1148 C LEU A 75 2.740 -4.423 -0.057 1.00 0.00 C ATOM 1149 O LEU A 75 3.566 -5.286 -0.353 1.00 0.00 O ATOM 1150 CB LEU A 75 3.438 -3.855 2.267 1.00 0.00 C ATOM 1151 CG LEU A 75 3.107 -3.645 3.744 1.00 0.00 C ATOM 1152 CD1 LEU A 75 4.344 -3.192 4.498 1.00 0.00 C ATOM 1153 CD2 LEU A 75 1.981 -2.634 3.902 1.00 0.00 C ATOM 0 H LEU A 75 2.301 -6.268 1.999 1.00 0.00 H new ATOM 0 HA LEU A 75 1.495 -3.486 1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.210 -4.621 2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.864 -2.932 1.873 1.00 0.00 H new ATOM 0 HG LEU A 75 2.772 -4.593 4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.096 -3.046 5.549 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.121 -3.951 4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.704 -2.254 4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.760 -2.498 4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.285 -1.681 3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.091 -2.998 3.389 1.00 0.00 H new ATOM 1165 N LEU A 76 2.230 -3.575 -0.944 1.00 0.00 N ATOM 1166 CA LEU A 76 2.618 -3.610 -2.351 1.00 0.00 C ATOM 1167 C LEU A 76 3.221 -2.273 -2.777 1.00 0.00 C ATOM 1168 O LEU A 76 2.626 -1.218 -2.560 1.00 0.00 O ATOM 1169 CB LEU A 76 1.414 -3.953 -3.234 1.00 0.00 C ATOM 1170 CG LEU A 76 0.810 -5.341 -3.001 1.00 0.00 C ATOM 1171 CD1 LEU A 76 -0.183 -5.687 -4.100 1.00 0.00 C ATOM 1172 CD2 LEU A 76 1.904 -6.397 -2.919 1.00 0.00 C ATOM 0 H LEU A 76 1.546 -2.854 -0.714 1.00 0.00 H new ATOM 0 HA LEU A 76 3.373 -4.386 -2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.639 -3.205 -3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.716 -3.876 -4.279 1.00 0.00 H new ATOM 0 HG LEU A 76 0.277 -5.324 -2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.600 -6.677 -3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.987 -4.951 -4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.325 -5.682 -5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.453 -7.376 -2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.467 -6.410 -3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.575 -6.162 -2.093 1.00 0.00 H new ATOM 1184 N LEU A 77 4.408 -2.323 -3.381 1.00 0.00 N ATOM 1185 CA LEU A 77 5.086 -1.114 -3.829 1.00 0.00 C ATOM 1186 C LEU A 77 5.095 -1.035 -5.353 1.00 0.00 C ATOM 1187 O LEU A 77 5.173 -2.058 -6.036 1.00 0.00 O ATOM 1188 CB LEU A 77 6.517 -1.072 -3.285 1.00 0.00 C ATOM 1189 CG LEU A 77 6.636 -1.033 -1.758 1.00 0.00 C ATOM 1190 CD1 LEU A 77 6.056 -2.293 -1.137 1.00 0.00 C ATOM 1191 CD2 LEU A 77 8.088 -0.854 -1.342 1.00 0.00 C ATOM 0 H LEU A 77 4.916 -3.187 -3.570 1.00 0.00 H new ATOM 0 HA LEU A 77 4.541 -0.252 -3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.054 -1.947 -3.653 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.018 -0.195 -3.695 1.00 0.00 H new ATOM 0 HG LEU A 77 6.063 -0.180 -1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.152 -2.242 -0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.003 -2.379 -1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.597 -3.164 -1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.154 -0.828 -0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.681 -1.686 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.471 0.081 -1.751 1.00 0.00 H new ATOM 1203 N PHE A 78 4.995 0.186 -5.880 1.00 0.00 N ATOM 1204 CA PHE A 78 4.967 0.403 -7.326 1.00 0.00 C ATOM 1205 C PHE A 78 5.650 1.720 -7.703 1.00 0.00 C ATOM 1206 O PHE A 78 5.298 2.771 -7.168 1.00 0.00 O ATOM 1207 CB PHE A 78 3.507 0.450 -7.789 1.00 0.00 C ATOM 1208 CG PHE A 78 2.694 -0.738 -7.350 1.00 0.00 C ATOM 1209 CD1 PHE A 78 2.895 -1.987 -7.917 1.00 0.00 C ATOM 1210 CD2 PHE A 78 1.733 -0.603 -6.361 1.00 0.00 C ATOM 1211 CE1 PHE A 78 2.151 -3.077 -7.507 1.00 0.00 C ATOM 1212 CE2 PHE A 78 0.987 -1.688 -5.947 1.00 0.00 C ATOM 1213 CZ PHE A 78 1.194 -2.926 -6.520 1.00 0.00 C ATOM 0 H PHE A 78 4.932 1.040 -5.326 1.00 0.00 H new ATOM 0 HA PHE A 78 5.503 -0.413 -7.810 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.043 1.358 -7.405 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.482 0.514 -8.877 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.641 -2.110 -8.688 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.566 0.363 -5.908 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.317 -4.045 -7.956 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.242 -1.568 -5.175 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.610 -3.776 -6.198 1.00 0.00 H new ATOM 1223 N LYS A 79 6.611 1.681 -8.636 1.00 0.00 N ATOM 1224 CA LYS A 79 7.284 2.918 -9.055 1.00 0.00 C ATOM 1225 C LYS A 79 6.999 3.246 -10.519 1.00 0.00 C ATOM 1226 O LYS A 79 7.049 2.370 -11.383 1.00 0.00 O ATOM 1227 CB LYS A 79 8.798 2.844 -8.830 1.00 0.00 C ATOM 1228 CG LYS A 79 9.203 2.920 -7.364 1.00 0.00 C ATOM 1229 CD LYS A 79 10.713 3.038 -7.187 1.00 0.00 C ATOM 1230 CE LYS A 79 11.246 4.383 -7.663 1.00 0.00 C ATOM 1231 NZ LYS A 79 11.296 4.482 -9.149 1.00 0.00 N ATOM 0 H LYS A 79 6.933 0.833 -9.103 1.00 0.00 H new ATOM 0 HA LYS A 79 6.878 3.716 -8.433 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.174 1.913 -9.254 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.277 3.658 -9.373 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.717 3.777 -6.899 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.847 2.031 -6.844 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.965 2.901 -6.136 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.205 2.238 -7.740 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.615 5.180 -7.270 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.246 4.538 -7.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.151 5.001 -9.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.318 3.527 -9.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.454 4.987 -9.492 1.00 0.00 H new ATOM 1245 N ASN A 80 6.708 4.520 -10.792 1.00 0.00 N ATOM 1246 CA ASN A 80 6.420 4.975 -12.153 1.00 0.00 C ATOM 1247 C ASN A 80 5.401 4.072 -12.845 1.00 0.00 C ATOM 1248 O ASN A 80 5.685 3.484 -13.887 1.00 0.00 O ATOM 1249 CB ASN A 80 7.712 5.028 -12.972 1.00 0.00 C ATOM 1250 CG ASN A 80 8.737 5.972 -12.377 1.00 0.00 C ATOM 1251 OD1 ASN A 80 9.169 5.799 -11.238 1.00 0.00 O ATOM 1252 ND2 ASN A 80 9.130 6.980 -13.145 1.00 0.00 N ATOM 0 H ASN A 80 6.666 5.256 -10.087 1.00 0.00 H new ATOM 0 HA ASN A 80 5.990 5.974 -12.086 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.139 4.027 -13.037 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.481 5.342 -13.990 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.816 7.649 -12.797 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.746 7.086 -14.084 1.00 0.00 H new ATOM 1259 N GLY A 81 4.212 3.975 -12.262 1.00 0.00 N ATOM 1260 CA GLY A 81 3.160 3.150 -12.829 1.00 0.00 C ATOM 1261 C GLY A 81 3.608 1.728 -13.111 1.00 0.00 C ATOM 1262 O GLY A 81 3.013 1.036 -13.938 1.00 0.00 O ATOM 0 H GLY A 81 3.956 4.457 -11.400 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.313 3.129 -12.143 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.809 3.605 -13.755 1.00 0.00 H new ATOM 1266 N LYS A 82 4.647 1.293 -12.415 1.00 0.00 N ATOM 1267 CA LYS A 82 5.171 -0.054 -12.579 1.00 0.00 C ATOM 1268 C LYS A 82 5.252 -0.743 -11.222 1.00 0.00 C ATOM 1269 O LYS A 82 4.562 -0.356 -10.284 1.00 0.00 O ATOM 1270 CB LYS A 82 6.547 -0.009 -13.260 1.00 0.00 C ATOM 1271 CG LYS A 82 6.511 0.572 -14.664 1.00 0.00 C ATOM 1272 CD LYS A 82 7.896 0.607 -15.291 1.00 0.00 C ATOM 1273 CE LYS A 82 8.853 1.471 -14.485 1.00 0.00 C ATOM 1274 NZ LYS A 82 10.204 1.536 -15.106 1.00 0.00 N ATOM 0 H LYS A 82 5.146 1.857 -11.727 1.00 0.00 H new ATOM 0 HA LYS A 82 4.499 -0.628 -13.217 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.227 0.583 -12.648 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.955 -1.019 -13.304 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.844 -0.023 -15.288 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.101 1.581 -14.630 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.290 -0.407 -15.360 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.826 0.992 -16.308 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.446 2.478 -14.397 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.938 1.072 -13.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.825 2.135 -14.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.605 0.578 -15.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.128 1.941 -16.061 1.00 0.00 H new ATOM 1288 N GLU A 83 6.083 -1.761 -11.122 1.00 0.00 N ATOM 1289 CA GLU A 83 6.243 -2.499 -9.878 1.00 0.00 C ATOM 1290 C GLU A 83 7.609 -2.186 -9.273 1.00 0.00 C ATOM 1291 O GLU A 83 8.376 -1.418 -9.853 1.00 0.00 O ATOM 1292 CB GLU A 83 6.092 -4.001 -10.176 1.00 0.00 C ATOM 1293 CG GLU A 83 6.155 -4.910 -8.958 1.00 0.00 C ATOM 1294 CD GLU A 83 5.734 -6.333 -9.272 1.00 0.00 C ATOM 1295 OE1 GLU A 83 5.396 -6.610 -10.443 1.00 0.00 O ATOM 1296 OE2 GLU A 83 5.744 -7.172 -8.346 1.00 0.00 O ATOM 0 H GLU A 83 6.662 -2.100 -11.890 1.00 0.00 H new ATOM 0 HA GLU A 83 5.482 -2.206 -9.155 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.139 -4.161 -10.681 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.876 -4.298 -10.873 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.171 -4.914 -8.564 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.511 -4.508 -8.175 1.00 0.00 H new ATOM 1303 N VAL A 84 7.902 -2.760 -8.107 1.00 0.00 N ATOM 1304 CA VAL A 84 9.179 -2.541 -7.436 1.00 0.00 C ATOM 1305 C VAL A 84 9.415 -3.578 -6.347 1.00 0.00 C ATOM 1306 O VAL A 84 10.493 -4.168 -6.268 1.00 0.00 O ATOM 1307 CB VAL A 84 9.292 -1.138 -6.819 1.00 0.00 C ATOM 1308 CG1 VAL A 84 9.549 -0.099 -7.894 1.00 0.00 C ATOM 1309 CG2 VAL A 84 8.044 -0.799 -6.026 1.00 0.00 C ATOM 0 H VAL A 84 7.268 -3.383 -7.607 1.00 0.00 H new ATOM 0 HA VAL A 84 9.941 -2.637 -8.210 1.00 0.00 H new ATOM 0 HB VAL A 84 10.140 -1.133 -6.134 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.626 0.887 -7.436 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.480 -0.333 -8.411 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.726 -0.104 -8.609 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.145 0.198 -5.598 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.176 -0.825 -6.685 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.913 -1.526 -5.225 1.00 0.00 H new ATOM 1319 N ALA A 85 8.411 -3.805 -5.503 1.00 0.00 N ATOM 1320 CA ALA A 85 8.546 -4.779 -4.428 1.00 0.00 C ATOM 1321 C ALA A 85 7.213 -5.056 -3.743 1.00 0.00 C ATOM 1322 O ALA A 85 6.315 -4.215 -3.739 1.00 0.00 O ATOM 1323 CB ALA A 85 9.571 -4.299 -3.413 1.00 0.00 C ATOM 0 H ALA A 85 7.507 -3.334 -5.543 1.00 0.00 H new ATOM 0 HA ALA A 85 8.888 -5.715 -4.870 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.664 -5.035 -2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 85 10.536 -4.172 -3.903 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.249 -3.346 -2.993 1.00 0.00 H new ATOM 1329 N LYS A 86 7.105 -6.243 -3.157 1.00 0.00 N ATOM 1330 CA LYS A 86 5.896 -6.647 -2.454 1.00 0.00 C ATOM 1331 C LYS A 86 6.250 -7.356 -1.152 1.00 0.00 C ATOM 1332 O LYS A 86 6.834 -8.438 -1.159 1.00 0.00 O ATOM 1333 CB LYS A 86 5.042 -7.561 -3.336 1.00 0.00 C ATOM 1334 CG LYS A 86 5.773 -8.803 -3.819 1.00 0.00 C ATOM 1335 CD LYS A 86 4.893 -9.655 -4.721 1.00 0.00 C ATOM 1336 CE LYS A 86 3.645 -10.132 -3.995 1.00 0.00 C ATOM 1337 NZ LYS A 86 2.787 -10.979 -4.867 1.00 0.00 N ATOM 0 H LYS A 86 7.845 -6.945 -3.156 1.00 0.00 H new ATOM 0 HA LYS A 86 5.320 -5.752 -2.220 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.157 -7.866 -2.778 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.695 -6.995 -4.201 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.673 -8.509 -4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.095 -9.393 -2.961 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.605 -9.078 -5.600 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.460 -10.516 -5.076 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.934 -10.698 -3.109 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.074 -9.270 -3.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.947 -11.284 -4.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.490 -10.431 -5.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.324 -11.815 -5.176 1.00 0.00 H new ATOM 1351 N VAL A 87 5.901 -6.732 -0.033 1.00 0.00 N ATOM 1352 CA VAL A 87 6.189 -7.300 1.278 1.00 0.00 C ATOM 1353 C VAL A 87 4.910 -7.492 2.085 1.00 0.00 C ATOM 1354 O VAL A 87 4.567 -6.663 2.929 1.00 0.00 O ATOM 1355 CB VAL A 87 7.160 -6.406 2.075 1.00 0.00 C ATOM 1356 CG1 VAL A 87 7.505 -7.044 3.412 1.00 0.00 C ATOM 1357 CG2 VAL A 87 8.418 -6.130 1.265 1.00 0.00 C ATOM 0 H VAL A 87 5.419 -5.834 -0.007 1.00 0.00 H new ATOM 0 HA VAL A 87 6.657 -8.270 1.109 1.00 0.00 H new ATOM 0 HB VAL A 87 6.667 -5.454 2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.191 -6.396 3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.594 -7.182 3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.977 -8.012 3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.092 -5.498 1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.915 -7.072 1.032 1.00 0.00 H new ATOM 0 HG23 VAL A 87 8.150 -5.622 0.338 1.00 0.00 H new ATOM 1367 N VAL A 88 4.210 -8.590 1.823 1.00 0.00 N ATOM 1368 CA VAL A 88 2.968 -8.891 2.528 1.00 0.00 C ATOM 1369 C VAL A 88 3.151 -8.780 4.040 1.00 0.00 C ATOM 1370 O VAL A 88 3.578 -9.730 4.698 1.00 0.00 O ATOM 1371 CB VAL A 88 2.451 -10.300 2.173 1.00 0.00 C ATOM 1372 CG1 VAL A 88 3.498 -11.356 2.496 1.00 0.00 C ATOM 1373 CG2 VAL A 88 1.144 -10.588 2.899 1.00 0.00 C ATOM 0 H VAL A 88 4.480 -9.286 1.128 1.00 0.00 H new ATOM 0 HA VAL A 88 2.231 -8.155 2.207 1.00 0.00 H new ATOM 0 HB VAL A 88 2.259 -10.336 1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.112 -12.342 2.238 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.403 -11.159 1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.730 -11.325 3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.794 -11.586 2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.306 -10.532 3.975 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.395 -9.852 2.606 1.00 0.00 H new ATOM 1383 N GLY A 89 2.831 -7.608 4.581 1.00 0.00 N ATOM 1384 CA GLY A 89 2.968 -7.381 6.006 1.00 0.00 C ATOM 1385 C GLY A 89 3.885 -6.214 6.316 1.00 0.00 C ATOM 1386 O GLY A 89 4.990 -6.124 5.779 1.00 0.00 O ATOM 0 H GLY A 89 2.478 -6.809 4.054 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.985 -7.193 6.438 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.357 -8.282 6.480 1.00 0.00 H new ATOM 1390 N ALA A 90 3.430 -5.316 7.186 1.00 0.00 N ATOM 1391 CA ALA A 90 4.219 -4.150 7.564 1.00 0.00 C ATOM 1392 C ALA A 90 4.992 -4.404 8.851 1.00 0.00 C ATOM 1393 O ALA A 90 5.177 -3.502 9.665 1.00 0.00 O ATOM 1394 CB ALA A 90 3.321 -2.932 7.716 1.00 0.00 C ATOM 0 H ALA A 90 2.519 -5.375 7.642 1.00 0.00 H new ATOM 0 HA ALA A 90 4.941 -3.958 6.770 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.924 -2.069 7.998 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.819 -2.730 6.770 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.576 -3.123 8.489 1.00 0.00 H new ATOM 1400 N ASN A 91 5.454 -5.637 9.016 1.00 0.00 N ATOM 1401 CA ASN A 91 6.225 -6.019 10.192 1.00 0.00 C ATOM 1402 C ASN A 91 7.480 -5.157 10.295 1.00 0.00 C ATOM 1403 O ASN A 91 8.408 -5.320 9.504 1.00 0.00 O ATOM 1404 CB ASN A 91 6.610 -7.502 10.097 1.00 0.00 C ATOM 1405 CG ASN A 91 7.383 -8.024 11.304 1.00 0.00 C ATOM 1406 OD1 ASN A 91 7.875 -9.153 11.286 1.00 0.00 O ATOM 1407 ND2 ASN A 91 7.483 -7.230 12.365 1.00 0.00 N ATOM 0 H ASN A 91 5.307 -6.393 8.347 1.00 0.00 H new ATOM 0 HA ASN A 91 5.619 -5.864 11.085 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.703 -8.095 9.976 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.212 -7.653 9.201 1.00 0.00 H new ATOM 0 HD21 ASN A 91 7.979 -7.550 13.197 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.064 -6.300 12.347 1.00 0.00 H new ATOM 1414 N PRO A 92 7.527 -4.218 11.269 1.00 0.00 N ATOM 1415 CA PRO A 92 8.670 -3.325 11.465 1.00 0.00 C ATOM 1416 C PRO A 92 10.006 -3.975 11.112 1.00 0.00 C ATOM 1417 O PRO A 92 10.650 -4.597 11.956 1.00 0.00 O ATOM 1418 CB PRO A 92 8.583 -3.027 12.955 1.00 0.00 C ATOM 1419 CG PRO A 92 7.117 -2.970 13.221 1.00 0.00 C ATOM 1420 CD PRO A 92 6.465 -3.941 12.261 1.00 0.00 C ATOM 0 HA PRO A 92 8.631 -2.446 10.822 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.067 -3.803 13.547 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.072 -2.085 13.204 1.00 0.00 H new ATOM 0 HG2 PRO A 92 6.900 -3.242 14.254 1.00 0.00 H new ATOM 0 HG3 PRO A 92 6.735 -1.960 13.070 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.143 -4.851 12.768 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.581 -3.508 11.792 1.00 0.00 H new ATOM 1428 N ALA A 93 10.407 -3.827 9.851 1.00 0.00 N ATOM 1429 CA ALA A 93 11.659 -4.400 9.368 1.00 0.00 C ATOM 1430 C ALA A 93 11.794 -4.232 7.856 1.00 0.00 C ATOM 1431 O ALA A 93 12.903 -4.115 7.337 1.00 0.00 O ATOM 1432 CB ALA A 93 11.753 -5.873 9.745 1.00 0.00 C ATOM 0 H ALA A 93 9.880 -3.313 9.144 1.00 0.00 H new ATOM 0 HA ALA A 93 12.479 -3.862 9.845 1.00 0.00 H new ATOM 0 HB1 ALA A 93 12.693 -6.284 9.377 1.00 0.00 H new ATOM 0 HB2 ALA A 93 11.713 -5.974 10.830 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.920 -6.417 9.299 1.00 0.00 H new ATOM 1438 N ALA A 94 10.663 -4.225 7.151 1.00 0.00 N ATOM 1439 CA ALA A 94 10.676 -4.074 5.700 1.00 0.00 C ATOM 1440 C ALA A 94 9.825 -2.898 5.251 1.00 0.00 C ATOM 1441 O ALA A 94 10.248 -2.109 4.407 1.00 0.00 O ATOM 1442 CB ALA A 94 10.217 -5.358 5.026 1.00 0.00 C ATOM 0 H ALA A 94 9.733 -4.322 7.559 1.00 0.00 H new ATOM 0 HA ALA A 94 11.703 -3.869 5.398 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.233 -5.227 3.944 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.886 -6.173 5.303 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.203 -5.595 5.348 1.00 0.00 H new ATOM 1448 N ILE A 95 8.634 -2.764 5.822 1.00 0.00 N ATOM 1449 CA ILE A 95 7.751 -1.657 5.474 1.00 0.00 C ATOM 1450 C ILE A 95 8.494 -0.320 5.525 1.00 0.00 C ATOM 1451 O ILE A 95 8.051 0.669 4.940 1.00 0.00 O ATOM 1452 CB ILE A 95 6.534 -1.610 6.421 1.00 0.00 C ATOM 1453 CG1 ILE A 95 5.660 -0.381 6.144 1.00 0.00 C ATOM 1454 CG2 ILE A 95 6.995 -1.615 7.872 1.00 0.00 C ATOM 1455 CD1 ILE A 95 5.155 -0.292 4.721 1.00 0.00 C ATOM 0 H ILE A 95 8.259 -3.403 6.523 1.00 0.00 H new ATOM 0 HA ILE A 95 7.403 -1.824 4.455 1.00 0.00 H new ATOM 0 HB ILE A 95 5.930 -2.499 6.237 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.806 -0.395 6.821 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.233 0.518 6.372 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.127 -1.582 8.530 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.565 -2.523 8.070 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.624 -0.744 8.057 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.545 0.604 4.607 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.002 -0.244 4.037 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.553 -1.172 4.493 1.00 0.00 H new ATOM 1467 N LYS A 96 9.631 -0.296 6.224 1.00 0.00 N ATOM 1468 CA LYS A 96 10.430 0.918 6.343 1.00 0.00 C ATOM 1469 C LYS A 96 11.477 1.000 5.238 1.00 0.00 C ATOM 1470 O LYS A 96 11.423 1.880 4.377 1.00 0.00 O ATOM 1471 CB LYS A 96 11.110 0.976 7.712 1.00 0.00 C ATOM 1472 CG LYS A 96 10.134 0.970 8.876 1.00 0.00 C ATOM 1473 CD LYS A 96 10.857 1.006 10.213 1.00 0.00 C ATOM 1474 CE LYS A 96 11.707 2.259 10.355 1.00 0.00 C ATOM 1475 NZ LYS A 96 12.410 2.307 11.665 1.00 0.00 N ATOM 0 H LYS A 96 10.016 -1.104 6.714 1.00 0.00 H new ATOM 0 HA LYS A 96 9.759 1.771 6.241 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.784 0.125 7.810 1.00 0.00 H new ATOM 0 HB3 LYS A 96 11.722 1.876 7.767 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.469 1.830 8.798 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.510 0.078 8.823 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.128 0.966 11.023 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.489 0.123 10.309 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.439 2.294 9.548 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.075 3.141 10.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.978 3.176 11.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.711 2.299 12.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 13.033 1.479 11.755 1.00 0.00 H new ATOM 1489 N GLN A 97 12.436 0.079 5.272 1.00 0.00 N ATOM 1490 CA GLN A 97 13.501 0.047 4.279 1.00 0.00 C ATOM 1491 C GLN A 97 12.935 -0.154 2.879 1.00 0.00 C ATOM 1492 O GLN A 97 13.461 0.381 1.904 1.00 0.00 O ATOM 1493 CB GLN A 97 14.506 -1.061 4.602 1.00 0.00 C ATOM 1494 CG GLN A 97 15.307 -0.813 5.873 1.00 0.00 C ATOM 1495 CD GLN A 97 14.458 -0.848 7.127 1.00 0.00 C ATOM 1496 OE1 GLN A 97 13.830 -1.859 7.436 1.00 0.00 O ATOM 1497 NE2 GLN A 97 14.436 0.260 7.858 1.00 0.00 N ATOM 0 H GLN A 97 12.496 -0.655 5.978 1.00 0.00 H new ATOM 0 HA GLN A 97 14.015 1.008 4.309 1.00 0.00 H new ATOM 0 HB2 GLN A 97 13.972 -2.006 4.699 1.00 0.00 H new ATOM 0 HB3 GLN A 97 15.195 -1.169 3.765 1.00 0.00 H new ATOM 0 HG2 GLN A 97 16.093 -1.564 5.952 1.00 0.00 H new ATOM 0 HG3 GLN A 97 15.799 0.157 5.802 1.00 0.00 H new ATOM 0 HE21 GLN A 97 14.973 1.076 7.564 1.00 0.00 H new ATOM 0 HE22 GLN A 97 13.882 0.295 8.714 1.00 0.00 H new ATOM 1506 N ALA A 98 11.858 -0.925 2.787 1.00 0.00 N ATOM 1507 CA ALA A 98 11.221 -1.186 1.502 1.00 0.00 C ATOM 1508 C ALA A 98 10.776 0.116 0.847 1.00 0.00 C ATOM 1509 O ALA A 98 10.758 0.237 -0.378 1.00 0.00 O ATOM 1510 CB ALA A 98 10.036 -2.124 1.678 1.00 0.00 C ATOM 0 H ALA A 98 11.409 -1.378 3.583 1.00 0.00 H new ATOM 0 HA ALA A 98 11.950 -1.666 0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.571 -2.309 0.709 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.379 -3.068 2.102 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.308 -1.668 2.349 1.00 0.00 H new ATOM 1516 N ILE A 99 10.420 1.091 1.678 1.00 0.00 N ATOM 1517 CA ILE A 99 9.977 2.392 1.195 1.00 0.00 C ATOM 1518 C ILE A 99 11.152 3.360 1.043 1.00 0.00 C ATOM 1519 O ILE A 99 11.005 4.438 0.465 1.00 0.00 O ATOM 1520 CB ILE A 99 8.930 3.006 2.151 1.00 0.00 C ATOM 1521 CG1 ILE A 99 7.713 2.082 2.260 1.00 0.00 C ATOM 1522 CG2 ILE A 99 8.511 4.392 1.674 1.00 0.00 C ATOM 1523 CD1 ILE A 99 6.643 2.592 3.203 1.00 0.00 C ATOM 0 H ILE A 99 10.430 1.002 2.694 1.00 0.00 H new ATOM 0 HA ILE A 99 9.523 2.234 0.216 1.00 0.00 H new ATOM 0 HB ILE A 99 9.379 3.111 3.138 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.278 1.950 1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.043 1.099 2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.773 4.806 2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.383 5.045 1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.076 4.318 0.677 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.813 1.885 3.228 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.061 2.697 4.204 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.284 3.561 2.856 1.00 0.00 H new ATOM 1535 N ALA A 100 12.314 2.975 1.563 1.00 0.00 N ATOM 1536 CA ALA A 100 13.503 3.817 1.482 1.00 0.00 C ATOM 1537 C ALA A 100 14.311 3.519 0.224 1.00 0.00 C ATOM 1538 O ALA A 100 14.390 4.345 -0.686 1.00 0.00 O ATOM 1539 CB ALA A 100 14.365 3.629 2.722 1.00 0.00 C ATOM 0 H ALA A 100 12.457 2.087 2.044 1.00 0.00 H new ATOM 0 HA ALA A 100 13.177 4.856 1.430 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.249 4.262 2.650 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.793 3.904 3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 100 14.671 2.586 2.797 1.00 0.00 H new ATOM 1545 N ALA A 101 14.913 2.335 0.182 1.00 0.00 N ATOM 1546 CA ALA A 101 15.723 1.925 -0.960 1.00 0.00 C ATOM 1547 C ALA A 101 14.944 2.046 -2.266 1.00 0.00 C ATOM 1548 O ALA A 101 15.529 2.252 -3.329 1.00 0.00 O ATOM 1549 CB ALA A 101 16.217 0.499 -0.768 1.00 0.00 C ATOM 0 H ALA A 101 14.855 1.641 0.927 1.00 0.00 H new ATOM 0 HA ALA A 101 16.582 2.594 -1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 101 16.820 0.204 -1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.822 0.442 0.137 1.00 0.00 H new ATOM 0 HB3 ALA A 101 15.363 -0.173 -0.677 1.00 0.00 H new ATOM 1555 N ASN A 102 13.625 1.913 -2.180 1.00 0.00 N ATOM 1556 CA ASN A 102 12.774 2.004 -3.350 1.00 0.00 C ATOM 1557 C ASN A 102 12.454 3.458 -3.685 1.00 0.00 C ATOM 1558 O ASN A 102 12.575 3.879 -4.836 1.00 0.00 O ATOM 1559 CB ASN A 102 11.487 1.225 -3.101 1.00 0.00 C ATOM 1560 CG ASN A 102 11.695 -0.283 -3.001 1.00 0.00 C ATOM 1561 OD1 ASN A 102 10.737 -1.030 -2.803 1.00 0.00 O ATOM 1562 ND2 ASN A 102 12.938 -0.747 -3.138 1.00 0.00 N ATOM 0 H ASN A 102 13.125 1.741 -1.307 1.00 0.00 H new ATOM 0 HA ASN A 102 13.303 1.574 -4.201 1.00 0.00 H new ATOM 0 HB2 ASN A 102 11.029 1.582 -2.179 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.784 1.434 -3.908 1.00 0.00 H new ATOM 0 HD21 ASN A 102 13.118 -1.749 -3.080 1.00 0.00 H new ATOM 0 HD22 ASN A 102 13.709 -0.099 -3.301 1.00 0.00 H new ATOM 1569 N ALA A 103 12.047 4.219 -2.676 1.00 0.00 N ATOM 1570 CA ALA A 103 11.711 5.625 -2.869 1.00 0.00 C ATOM 1571 C ALA A 103 12.905 6.407 -3.403 1.00 0.00 C ATOM 1572 O ALA A 103 12.690 7.494 -3.981 1.00 0.00 O ATOM 1573 CB ALA A 103 11.221 6.234 -1.563 1.00 0.00 C ATOM 1574 OXT ALA A 103 14.047 5.927 -3.239 1.00 0.00 O ATOM 0 H ALA A 103 11.942 3.887 -1.717 1.00 0.00 H new ATOM 0 HA ALA A 103 10.912 5.684 -3.608 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.974 7.284 -1.721 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.334 5.700 -1.223 1.00 0.00 H new ATOM 0 HB3 ALA A 103 12.004 6.155 -0.809 1.00 0.00 H new