USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 523 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 22 CYS SG : rot 180:sc= 0.0174 USER MOD Set 1.2: A 25 CYS SG : rot 180:sc=-0.00797 USER MOD Set 2.1: A 13 THR OG1 : rot -74:sc= 0.104 USER MOD Set 2.2: A 54 HIS : no HD1:sc= -0.37 X(o=-0.27,f=-0.036) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 24:sc= 0.566 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 20 MET CE :methyl 160:sc= -0.678 (180deg=-1.41!) USER MOD Single : A 21 THR OG1 : rot -40:sc= 0.0613 USER MOD Single : A 23 GLN : amide:sc= -0.0375 X(o=-0.038,f=-0.038) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -168:sc= 0.754 (180deg=0.521) USER MOD Single : A 32 SER OG : rot -162:sc= 0.317 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.0829 K(o=-0.083,f=-1) USER MOD Single : A 45 HIS : no HD1:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.396 K(o=-0.4,f=-2.2!) USER MOD Single : A 50 MET CE :methyl -165:sc=-0.00245 (180deg=-0.192) USER MOD Single : A 55 THR OG1 : rot 38:sc= 1.36 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0277 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot -47:sc= 1.18 USER MOD Single : A 72 GLN : amide:sc= 0.772 K(o=0.77,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 8 N THR A 10 -6.721 4.968 14.169 1.00 0.89 N ATOM 9 CA THR A 10 -5.719 6.024 14.360 1.00 0.71 C ATOM 10 C THR A 10 -4.543 5.845 13.410 1.00 0.56 C ATOM 11 O THR A 10 -4.260 4.731 12.959 1.00 0.62 O ATOM 12 CB THR A 10 -5.263 6.087 15.820 1.00 0.88 C ATOM 13 OG1 THR A 10 -4.433 7.200 16.046 1.00 0.83 O ATOM 14 CG2 THR A 10 -4.497 4.851 16.289 1.00 1.04 C ATOM 0 HA THR A 10 -6.185 6.980 14.120 1.00 0.71 H new ATOM 0 HB THR A 10 -6.191 6.156 16.388 1.00 0.88 H new ATOM 0 HG1 THR A 10 -4.158 7.217 16.986 1.00 0.83 H new ATOM 0 HG21 THR A 10 -4.210 4.975 17.333 1.00 1.04 H new ATOM 0 HG22 THR A 10 -5.131 3.970 16.189 1.00 1.04 H new ATOM 0 HG23 THR A 10 -3.602 4.724 15.679 1.00 1.04 H new ATOM 22 N LEU A 11 -3.885 6.949 13.069 1.00 0.46 N ATOM 23 CA LEU A 11 -2.899 6.993 11.986 1.00 0.44 C ATOM 24 C LEU A 11 -1.672 6.143 12.344 1.00 0.52 C ATOM 25 O LEU A 11 -1.089 6.299 13.416 1.00 0.61 O ATOM 26 CB LEU A 11 -2.504 8.453 11.701 1.00 0.45 C ATOM 27 CG LEU A 11 -2.153 8.854 10.260 1.00 0.78 C ATOM 28 CD1 LEU A 11 -0.972 8.103 9.663 1.00 1.98 C ATOM 29 CD2 LEU A 11 -3.345 8.708 9.313 1.00 1.20 C ATOM 0 H LEU A 11 -4.019 7.845 13.537 1.00 0.46 H new ATOM 0 HA LEU A 11 -3.339 6.574 11.081 1.00 0.44 H new ATOM 0 HB2 LEU A 11 -3.326 9.088 12.030 1.00 0.45 H new ATOM 0 HB3 LEU A 11 -1.646 8.692 12.329 1.00 0.45 H new ATOM 0 HG LEU A 11 -1.867 9.902 10.351 1.00 0.78 H new ATOM 0 HD11 LEU A 11 -0.797 8.451 8.645 1.00 1.98 H new ATOM 0 HD12 LEU A 11 -0.083 8.285 10.267 1.00 1.98 H new ATOM 0 HD13 LEU A 11 -1.189 7.035 9.649 1.00 1.98 H new ATOM 0 HD21 LEU A 11 -3.048 9.003 8.306 1.00 1.20 H new ATOM 0 HD22 LEU A 11 -3.677 7.670 9.304 1.00 1.20 H new ATOM 0 HD23 LEU A 11 -4.160 9.347 9.653 1.00 1.20 H new ATOM 41 N CYS A 12 -1.317 5.239 11.445 1.00 0.45 N ATOM 42 CA CYS A 12 -0.220 4.271 11.544 1.00 0.47 C ATOM 43 C CYS A 12 0.291 3.902 10.143 1.00 0.36 C ATOM 44 O CYS A 12 -0.449 3.993 9.162 1.00 0.34 O ATOM 45 CB CYS A 12 -0.709 3.001 12.261 1.00 0.59 C ATOM 46 SG CYS A 12 -0.793 3.265 14.056 1.00 1.68 S ATOM 0 H CYS A 12 -1.819 5.151 10.562 1.00 0.45 H new ATOM 0 HA CYS A 12 0.593 4.721 12.113 1.00 0.47 H new ATOM 0 HB2 CYS A 12 -1.693 2.721 11.884 1.00 0.59 H new ATOM 0 HB3 CYS A 12 -0.036 2.172 12.042 1.00 0.59 H new ATOM 0 HG CYS A 12 -0.931 4.534 14.302 1.00 1.68 H new ATOM 52 N THR A 13 1.539 3.445 10.057 1.00 0.39 N ATOM 53 CA THR A 13 2.183 2.984 8.821 1.00 0.36 C ATOM 54 C THR A 13 2.092 1.465 8.685 1.00 0.42 C ATOM 55 O THR A 13 2.775 0.724 9.394 1.00 0.81 O ATOM 56 CB THR A 13 3.650 3.425 8.788 1.00 0.48 C ATOM 57 OG1 THR A 13 3.729 4.834 8.848 1.00 0.69 O ATOM 58 CG2 THR A 13 4.378 2.962 7.526 1.00 0.48 C ATOM 0 H THR A 13 2.152 3.382 10.870 1.00 0.39 H new ATOM 0 HA THR A 13 1.655 3.435 7.981 1.00 0.36 H new ATOM 0 HB THR A 13 4.132 2.964 9.650 1.00 0.48 H new ATOM 0 HG1 THR A 13 3.458 5.214 7.986 1.00 0.69 H new ATOM 0 HG21 THR A 13 5.413 3.303 7.557 1.00 0.48 H new ATOM 0 HG22 THR A 13 4.356 1.874 7.472 1.00 0.48 H new ATOM 0 HG23 THR A 13 3.885 3.379 6.648 1.00 0.48 H new ATOM 66 N LEU A 14 1.300 0.999 7.722 1.00 0.21 N ATOM 67 CA LEU A 14 1.213 -0.411 7.327 1.00 0.23 C ATOM 68 C LEU A 14 2.303 -0.722 6.289 1.00 0.22 C ATOM 69 O LEU A 14 2.362 -0.047 5.263 1.00 0.31 O ATOM 70 CB LEU A 14 -0.188 -0.679 6.751 1.00 0.37 C ATOM 71 CG LEU A 14 -1.340 -0.877 7.757 1.00 0.64 C ATOM 72 CD1 LEU A 14 -1.343 0.038 8.972 1.00 0.92 C ATOM 73 CD2 LEU A 14 -2.673 -0.640 7.049 1.00 1.90 C ATOM 0 H LEU A 14 0.684 1.604 7.179 1.00 0.21 H new ATOM 0 HA LEU A 14 1.370 -1.058 8.190 1.00 0.23 H new ATOM 0 HB2 LEU A 14 -0.449 0.154 6.098 1.00 0.37 H new ATOM 0 HB3 LEU A 14 -0.131 -1.569 6.124 1.00 0.37 H new ATOM 0 HG LEU A 14 -1.194 -1.894 8.121 1.00 0.64 H new ATOM 0 HD11 LEU A 14 -2.200 -0.198 9.603 1.00 0.92 H new ATOM 0 HD12 LEU A 14 -0.424 -0.107 9.539 1.00 0.92 H new ATOM 0 HD13 LEU A 14 -1.408 1.076 8.646 1.00 0.92 H new ATOM 0 HD21 LEU A 14 -3.490 -0.779 7.756 1.00 1.90 H new ATOM 0 HD22 LEU A 14 -2.701 0.377 6.657 1.00 1.90 H new ATOM 0 HD23 LEU A 14 -2.780 -1.349 6.228 1.00 1.90 H new ATOM 85 N GLU A 15 3.135 -1.738 6.536 1.00 0.27 N ATOM 86 CA GLU A 15 4.201 -2.197 5.623 1.00 0.25 C ATOM 87 C GLU A 15 3.808 -3.496 4.903 1.00 0.20 C ATOM 88 O GLU A 15 3.961 -4.600 5.431 1.00 0.29 O ATOM 89 CB GLU A 15 5.533 -2.403 6.367 1.00 0.40 C ATOM 90 CG GLU A 15 6.069 -1.133 7.029 1.00 0.92 C ATOM 91 CD GLU A 15 7.483 -1.327 7.602 1.00 0.99 C ATOM 92 OE1 GLU A 15 7.784 -2.379 8.221 1.00 1.85 O ATOM 93 OE2 GLU A 15 8.326 -0.410 7.458 1.00 2.03 O ATOM 0 H GLU A 15 3.089 -2.282 7.397 1.00 0.27 H new ATOM 0 HA GLU A 15 4.333 -1.411 4.879 1.00 0.25 H new ATOM 0 HB2 GLU A 15 5.399 -3.171 7.129 1.00 0.40 H new ATOM 0 HB3 GLU A 15 6.277 -2.778 5.665 1.00 0.40 H new ATOM 0 HG2 GLU A 15 6.083 -0.323 6.299 1.00 0.92 H new ATOM 0 HG3 GLU A 15 5.393 -0.830 7.829 1.00 0.92 H new ATOM 100 N PHE A 16 3.323 -3.383 3.668 1.00 0.19 N ATOM 101 CA PHE A 16 2.856 -4.532 2.883 1.00 0.19 C ATOM 102 C PHE A 16 3.901 -5.012 1.884 1.00 0.21 C ATOM 103 O PHE A 16 4.571 -4.220 1.229 1.00 0.29 O ATOM 104 CB PHE A 16 1.581 -4.195 2.105 1.00 0.22 C ATOM 105 CG PHE A 16 0.314 -4.030 2.905 1.00 0.22 C ATOM 106 CD1 PHE A 16 -0.045 -2.767 3.403 1.00 2.07 C ATOM 107 CD2 PHE A 16 -0.562 -5.122 3.044 1.00 1.99 C ATOM 108 CE1 PHE A 16 -1.304 -2.584 3.997 1.00 2.15 C ATOM 109 CE2 PHE A 16 -1.816 -4.941 3.651 1.00 1.92 C ATOM 110 CZ PHE A 16 -2.191 -3.669 4.115 1.00 0.39 C ATOM 0 H PHE A 16 3.241 -2.491 3.179 1.00 0.19 H new ATOM 0 HA PHE A 16 2.659 -5.323 3.607 1.00 0.19 H new ATOM 0 HB2 PHE A 16 1.755 -3.272 1.553 1.00 0.22 H new ATOM 0 HB3 PHE A 16 1.416 -4.981 1.368 1.00 0.22 H new ATOM 0 HD1 PHE A 16 0.645 -1.939 3.329 1.00 2.07 H new ATOM 0 HD2 PHE A 16 -0.271 -6.098 2.685 1.00 1.99 H new ATOM 0 HE1 PHE A 16 -1.591 -1.610 4.363 1.00 2.15 H new ATOM 0 HE2 PHE A 16 -2.490 -5.778 3.761 1.00 1.92 H new ATOM 0 HZ PHE A 16 -3.163 -3.524 4.563 1.00 0.39 H new ATOM 120 N ALA A 17 3.949 -6.325 1.703 1.00 0.27 N ATOM 121 CA ALA A 17 4.631 -6.981 0.585 1.00 0.31 C ATOM 122 C ALA A 17 3.674 -7.212 -0.602 1.00 0.32 C ATOM 123 O ALA A 17 2.511 -7.563 -0.412 1.00 0.36 O ATOM 124 CB ALA A 17 5.267 -8.287 1.065 1.00 0.36 C ATOM 0 H ALA A 17 3.505 -6.984 2.343 1.00 0.27 H new ATOM 0 HA ALA A 17 5.422 -6.325 0.222 1.00 0.31 H new ATOM 0 HB1 ALA A 17 5.774 -8.773 0.231 1.00 0.36 H new ATOM 0 HB2 ALA A 17 5.989 -8.072 1.853 1.00 0.36 H new ATOM 0 HB3 ALA A 17 4.492 -8.948 1.453 1.00 0.36 H new ATOM 130 N VAL A 18 4.163 -7.034 -1.828 1.00 0.41 N ATOM 131 CA VAL A 18 3.391 -7.078 -3.092 1.00 0.44 C ATOM 132 C VAL A 18 4.207 -7.747 -4.202 1.00 0.64 C ATOM 133 O VAL A 18 5.412 -7.941 -4.034 1.00 1.04 O ATOM 134 CB VAL A 18 2.964 -5.658 -3.521 1.00 0.53 C ATOM 135 CG1 VAL A 18 1.832 -5.093 -2.656 1.00 0.50 C ATOM 136 CG2 VAL A 18 4.132 -4.678 -3.465 1.00 0.67 C ATOM 0 H VAL A 18 5.153 -6.846 -1.986 1.00 0.41 H new ATOM 0 HA VAL A 18 2.493 -7.671 -2.919 1.00 0.44 H new ATOM 0 HB VAL A 18 2.610 -5.764 -4.546 1.00 0.53 H new ATOM 0 HG11 VAL A 18 1.573 -4.093 -3.003 1.00 0.50 H new ATOM 0 HG12 VAL A 18 0.959 -5.741 -2.731 1.00 0.50 H new ATOM 0 HG13 VAL A 18 2.158 -5.043 -1.617 1.00 0.50 H new ATOM 0 HG21 VAL A 18 3.793 -3.689 -3.774 1.00 0.67 H new ATOM 0 HG22 VAL A 18 4.516 -4.628 -2.446 1.00 0.67 H new ATOM 0 HG23 VAL A 18 4.923 -5.016 -4.135 1.00 0.67 H new ATOM 146 N GLN A 19 3.589 -8.060 -5.349 1.00 0.50 N ATOM 147 CA GLN A 19 4.327 -8.414 -6.573 1.00 0.57 C ATOM 148 C GLN A 19 4.236 -7.312 -7.647 1.00 0.43 C ATOM 149 O GLN A 19 3.281 -7.252 -8.417 1.00 0.50 O ATOM 150 CB GLN A 19 3.982 -9.836 -7.067 1.00 1.05 C ATOM 151 CG GLN A 19 2.508 -10.143 -7.380 1.00 1.46 C ATOM 152 CD GLN A 19 2.332 -11.555 -7.941 1.00 2.02 C ATOM 153 OE1 GLN A 19 1.878 -12.482 -7.282 1.00 2.91 O ATOM 154 NE2 GLN A 19 2.650 -11.794 -9.191 1.00 3.16 N ATOM 0 H GLN A 19 2.575 -8.076 -5.456 1.00 0.50 H new ATOM 0 HA GLN A 19 5.387 -8.461 -6.322 1.00 0.57 H new ATOM 0 HB2 GLN A 19 4.564 -10.029 -7.968 1.00 1.05 H new ATOM 0 HB3 GLN A 19 4.320 -10.545 -6.311 1.00 1.05 H new ATOM 0 HG2 GLN A 19 1.913 -10.035 -6.473 1.00 1.46 H new ATOM 0 HG3 GLN A 19 2.129 -9.416 -8.098 1.00 1.46 H new ATOM 0 HE21 GLN A 19 3.031 -11.047 -9.772 1.00 3.16 H new ATOM 0 HE22 GLN A 19 2.516 -12.727 -9.582 1.00 3.16 H new ATOM 163 N MET A 20 5.232 -6.421 -7.691 1.00 0.37 N ATOM 164 CA MET A 20 5.516 -5.500 -8.806 1.00 0.38 C ATOM 165 C MET A 20 7.027 -5.210 -8.877 1.00 0.60 C ATOM 166 O MET A 20 7.667 -5.141 -7.829 1.00 0.88 O ATOM 167 CB MET A 20 4.734 -4.186 -8.644 1.00 0.36 C ATOM 168 CG MET A 20 4.819 -3.597 -7.229 1.00 0.44 C ATOM 169 SD MET A 20 4.618 -1.799 -7.179 1.00 0.50 S ATOM 170 CE MET A 20 4.733 -1.585 -5.394 1.00 0.39 C ATOM 0 H MET A 20 5.892 -6.314 -6.921 1.00 0.37 H new ATOM 0 HA MET A 20 5.198 -5.975 -9.734 1.00 0.38 H new ATOM 0 HB2 MET A 20 5.115 -3.455 -9.357 1.00 0.36 H new ATOM 0 HB3 MET A 20 3.688 -4.361 -8.895 1.00 0.36 H new ATOM 0 HG2 MET A 20 4.052 -4.057 -6.606 1.00 0.44 H new ATOM 0 HG3 MET A 20 5.783 -3.859 -6.793 1.00 0.44 H new ATOM 0 HE1 MET A 20 4.987 -0.550 -5.167 1.00 0.39 H new ATOM 0 HE2 MET A 20 3.775 -1.832 -4.935 1.00 0.39 H new ATOM 0 HE3 MET A 20 5.506 -2.244 -4.998 1.00 0.39 H new ATOM 180 N THR A 21 7.611 -5.048 -10.072 1.00 0.63 N ATOM 181 CA THR A 21 9.065 -4.806 -10.241 1.00 1.00 C ATOM 182 C THR A 21 9.482 -3.994 -11.490 1.00 0.65 C ATOM 183 O THR A 21 10.671 -3.704 -11.652 1.00 0.78 O ATOM 184 CB THR A 21 9.834 -6.128 -10.067 1.00 1.81 C ATOM 185 OG1 THR A 21 11.178 -5.932 -9.676 1.00 3.60 O ATOM 186 CG2 THR A 21 9.828 -7.046 -11.279 1.00 1.44 C ATOM 0 H THR A 21 7.097 -5.080 -10.952 1.00 0.63 H new ATOM 0 HA THR A 21 9.355 -4.123 -9.443 1.00 1.00 H new ATOM 0 HB THR A 21 9.273 -6.621 -9.273 1.00 1.81 H new ATOM 0 HG1 THR A 21 11.550 -5.164 -10.158 1.00 3.60 H new ATOM 0 HG21 THR A 21 10.396 -7.949 -11.054 1.00 1.44 H new ATOM 0 HG22 THR A 21 8.801 -7.315 -11.526 1.00 1.44 H new ATOM 0 HG23 THR A 21 10.283 -6.533 -12.126 1.00 1.44 H new ATOM 194 N CYS A 22 8.538 -3.543 -12.332 1.00 0.46 N ATOM 195 CA CYS A 22 8.769 -2.528 -13.375 1.00 0.54 C ATOM 196 C CYS A 22 8.202 -1.128 -12.994 1.00 0.49 C ATOM 197 O CYS A 22 7.256 -1.010 -12.208 1.00 0.49 O ATOM 198 CB CYS A 22 8.346 -3.088 -14.751 1.00 0.84 C ATOM 199 SG CYS A 22 7.019 -2.205 -15.637 1.00 1.10 S ATOM 0 H CYS A 22 7.575 -3.879 -12.307 1.00 0.46 H new ATOM 0 HA CYS A 22 9.836 -2.323 -13.458 1.00 0.54 H new ATOM 0 HB2 CYS A 22 9.226 -3.107 -15.393 1.00 0.84 H new ATOM 0 HB3 CYS A 22 8.030 -4.122 -14.612 1.00 0.84 H new ATOM 0 HG CYS A 22 6.785 -2.798 -16.770 1.00 1.10 H new ATOM 204 N GLN A 23 8.791 -0.060 -13.556 1.00 0.57 N ATOM 205 CA GLN A 23 8.542 1.342 -13.161 1.00 0.63 C ATOM 206 C GLN A 23 7.100 1.853 -13.423 1.00 0.64 C ATOM 207 O GLN A 23 6.687 2.837 -12.801 1.00 0.76 O ATOM 208 CB GLN A 23 9.591 2.277 -13.792 1.00 0.73 C ATOM 209 CG GLN A 23 11.037 2.037 -13.311 1.00 1.43 C ATOM 210 CD GLN A 23 11.240 2.242 -11.806 1.00 1.42 C ATOM 211 OE1 GLN A 23 11.200 3.350 -11.283 1.00 1.91 O ATOM 212 NE2 GLN A 23 11.471 1.191 -11.051 1.00 1.84 N ATOM 0 H GLN A 23 9.468 -0.146 -14.314 1.00 0.57 H new ATOM 0 HA GLN A 23 8.644 1.358 -12.076 1.00 0.63 H new ATOM 0 HB2 GLN A 23 9.558 2.160 -14.875 1.00 0.73 H new ATOM 0 HB3 GLN A 23 9.316 3.309 -13.575 1.00 0.73 H new ATOM 0 HG2 GLN A 23 11.330 1.020 -13.571 1.00 1.43 H new ATOM 0 HG3 GLN A 23 11.704 2.709 -13.851 1.00 1.43 H new ATOM 0 HE21 GLN A 23 11.508 0.261 -11.469 1.00 1.84 H new ATOM 0 HE22 GLN A 23 11.613 1.305 -10.047 1.00 1.84 H new ATOM 221 N SER A 24 6.303 1.173 -14.258 1.00 0.58 N ATOM 222 CA SER A 24 4.887 1.520 -14.518 1.00 0.61 C ATOM 223 C SER A 24 3.930 1.077 -13.404 1.00 0.53 C ATOM 224 O SER A 24 2.908 1.732 -13.179 1.00 0.62 O ATOM 225 CB SER A 24 4.421 0.903 -15.849 1.00 0.73 C ATOM 226 OG SER A 24 5.254 1.302 -16.928 1.00 1.11 O ATOM 0 H SER A 24 6.620 0.357 -14.781 1.00 0.58 H new ATOM 0 HA SER A 24 4.852 2.609 -14.562 1.00 0.61 H new ATOM 0 HB2 SER A 24 4.424 -0.184 -15.768 1.00 0.73 H new ATOM 0 HB3 SER A 24 3.393 1.204 -16.051 1.00 0.73 H new ATOM 0 HG SER A 24 4.933 0.892 -17.758 1.00 1.11 H new ATOM 232 N CYS A 25 4.265 0.002 -12.684 1.00 0.45 N ATOM 233 CA CYS A 25 3.415 -0.584 -11.658 1.00 0.40 C ATOM 234 C CYS A 25 3.575 0.164 -10.318 1.00 0.33 C ATOM 235 O CYS A 25 2.599 0.382 -9.614 1.00 0.35 O ATOM 236 CB CYS A 25 3.741 -2.080 -11.605 1.00 0.46 C ATOM 237 SG CYS A 25 3.440 -2.936 -13.176 1.00 0.75 S ATOM 0 H CYS A 25 5.151 -0.489 -12.804 1.00 0.45 H new ATOM 0 HA CYS A 25 2.355 -0.479 -11.891 1.00 0.40 H new ATOM 0 HB2 CYS A 25 4.787 -2.207 -11.324 1.00 0.46 H new ATOM 0 HB3 CYS A 25 3.142 -2.548 -10.824 1.00 0.46 H new ATOM 0 HG CYS A 25 3.742 -4.194 -13.049 1.00 0.75 H new ATOM 242 N VAL A 26 4.782 0.644 -10.019 1.00 0.36 N ATOM 243 CA VAL A 26 5.115 1.574 -8.927 1.00 0.39 C ATOM 244 C VAL A 26 4.113 2.727 -8.914 1.00 0.34 C ATOM 245 O VAL A 26 3.419 2.930 -7.922 1.00 0.35 O ATOM 246 CB VAL A 26 6.545 2.144 -9.104 1.00 0.51 C ATOM 247 CG1 VAL A 26 7.259 2.445 -7.792 1.00 0.52 C ATOM 248 CG2 VAL A 26 7.443 1.192 -9.858 1.00 0.81 C ATOM 0 H VAL A 26 5.605 0.382 -10.561 1.00 0.36 H new ATOM 0 HA VAL A 26 5.070 1.028 -7.985 1.00 0.39 H new ATOM 0 HB VAL A 26 6.383 3.070 -9.655 1.00 0.51 H new ATOM 0 HG11 VAL A 26 8.253 2.840 -8.001 1.00 0.52 H new ATOM 0 HG12 VAL A 26 6.687 3.181 -7.227 1.00 0.52 H new ATOM 0 HG13 VAL A 26 7.348 1.529 -7.208 1.00 0.52 H new ATOM 0 HG21 VAL A 26 8.435 1.631 -9.959 1.00 0.81 H new ATOM 0 HG22 VAL A 26 7.516 0.252 -9.312 1.00 0.81 H new ATOM 0 HG23 VAL A 26 7.026 1.005 -10.848 1.00 0.81 H new ATOM 258 N ASP A 27 3.971 3.415 -10.054 1.00 0.35 N ATOM 259 CA ASP A 27 3.037 4.528 -10.236 1.00 0.38 C ATOM 260 C ASP A 27 1.580 4.088 -10.081 1.00 0.34 C ATOM 261 O ASP A 27 0.789 4.752 -9.412 1.00 0.43 O ATOM 262 CB ASP A 27 3.230 5.128 -11.635 1.00 0.51 C ATOM 263 CG ASP A 27 2.689 6.555 -11.686 1.00 1.13 C ATOM 264 OD1 ASP A 27 3.271 7.416 -10.985 1.00 1.91 O ATOM 265 OD2 ASP A 27 1.679 6.814 -12.383 1.00 2.32 O ATOM 0 H ASP A 27 4.515 3.207 -10.892 1.00 0.35 H new ATOM 0 HA ASP A 27 3.249 5.267 -9.464 1.00 0.38 H new ATOM 0 HB2 ASP A 27 4.288 5.125 -11.895 1.00 0.51 H new ATOM 0 HB3 ASP A 27 2.718 4.512 -12.375 1.00 0.51 H new ATOM 270 N ALA A 28 1.240 2.935 -10.657 1.00 0.33 N ATOM 271 CA ALA A 28 -0.144 2.466 -10.664 1.00 0.35 C ATOM 272 C ALA A 28 -0.614 2.065 -9.259 1.00 0.34 C ATOM 273 O ALA A 28 -1.743 2.365 -8.854 1.00 0.40 O ATOM 274 CB ALA A 28 -0.255 1.312 -11.655 1.00 0.39 C ATOM 0 H ALA A 28 1.900 2.312 -11.122 1.00 0.33 H new ATOM 0 HA ALA A 28 -0.803 3.275 -10.978 1.00 0.35 H new ATOM 0 HB1 ALA A 28 -1.282 0.947 -11.675 1.00 0.39 H new ATOM 0 HB2 ALA A 28 0.027 1.658 -12.649 1.00 0.39 H new ATOM 0 HB3 ALA A 28 0.411 0.505 -11.350 1.00 0.39 H new ATOM 280 N VAL A 29 0.276 1.441 -8.481 1.00 0.33 N ATOM 281 CA VAL A 29 0.028 0.999 -7.124 1.00 0.40 C ATOM 282 C VAL A 29 0.020 2.189 -6.166 1.00 0.42 C ATOM 283 O VAL A 29 -0.904 2.282 -5.361 1.00 0.53 O ATOM 284 CB VAL A 29 1.035 -0.104 -6.741 1.00 0.57 C ATOM 285 CG1 VAL A 29 0.763 -0.626 -5.334 1.00 0.76 C ATOM 286 CG2 VAL A 29 0.936 -1.344 -7.647 1.00 0.53 C ATOM 0 H VAL A 29 1.221 1.227 -8.800 1.00 0.33 H new ATOM 0 HA VAL A 29 -0.964 0.553 -7.050 1.00 0.40 H new ATOM 0 HB VAL A 29 2.013 0.368 -6.834 1.00 0.57 H new ATOM 0 HG11 VAL A 29 1.487 -1.403 -5.088 1.00 0.76 H new ATOM 0 HG12 VAL A 29 0.852 0.192 -4.619 1.00 0.76 H new ATOM 0 HG13 VAL A 29 -0.244 -1.041 -5.288 1.00 0.76 H new ATOM 0 HG21 VAL A 29 1.669 -2.086 -7.330 1.00 0.53 H new ATOM 0 HG22 VAL A 29 -0.065 -1.769 -7.575 1.00 0.53 H new ATOM 0 HG23 VAL A 29 1.135 -1.057 -8.680 1.00 0.53 H new ATOM 296 N ARG A 30 0.939 3.162 -6.316 1.00 0.36 N ATOM 297 CA ARG A 30 0.888 4.467 -5.620 1.00 0.40 C ATOM 298 C ARG A 30 -0.474 5.143 -5.809 1.00 0.47 C ATOM 299 O ARG A 30 -1.046 5.654 -4.847 1.00 0.59 O ATOM 300 CB ARG A 30 2.001 5.398 -6.175 1.00 0.37 C ATOM 301 CG ARG A 30 3.430 5.099 -5.685 1.00 0.37 C ATOM 302 CD ARG A 30 4.523 5.647 -6.630 1.00 0.42 C ATOM 303 NE ARG A 30 5.832 5.738 -5.963 1.00 1.02 N ATOM 304 CZ ARG A 30 6.998 5.986 -6.531 1.00 2.16 C ATOM 305 NH1 ARG A 30 7.160 6.211 -7.801 1.00 3.30 N ATOM 306 NH2 ARG A 30 8.062 5.985 -5.794 1.00 2.70 N ATOM 0 H ARG A 30 1.748 3.065 -6.930 1.00 0.36 H new ATOM 0 HA ARG A 30 1.042 4.289 -4.556 1.00 0.40 H new ATOM 0 HB2 ARG A 30 1.990 5.337 -7.263 1.00 0.37 H new ATOM 0 HB3 ARG A 30 1.754 6.426 -5.910 1.00 0.37 H new ATOM 0 HG2 ARG A 30 3.565 5.531 -4.694 1.00 0.37 H new ATOM 0 HG3 ARG A 30 3.554 4.021 -5.582 1.00 0.37 H new ATOM 0 HD2 ARG A 30 4.605 5.000 -7.503 1.00 0.42 H new ATOM 0 HD3 ARG A 30 4.230 6.633 -6.990 1.00 0.42 H new ATOM 0 HE ARG A 30 5.839 5.594 -4.953 1.00 1.02 H new ATOM 0 HH11 ARG A 30 6.355 6.203 -8.427 1.00 3.30 H new ATOM 0 HH12 ARG A 30 8.092 6.396 -8.171 1.00 3.30 H new ATOM 0 HH21 ARG A 30 7.990 5.795 -4.794 1.00 2.70 H new ATOM 0 HH22 ARG A 30 8.973 6.174 -6.213 1.00 2.70 H new ATOM 320 N LYS A 31 -1.034 5.118 -7.024 1.00 0.44 N ATOM 321 CA LYS A 31 -2.215 5.931 -7.359 1.00 0.50 C ATOM 322 C LYS A 31 -3.552 5.333 -6.924 1.00 0.53 C ATOM 323 O LYS A 31 -4.497 6.096 -6.716 1.00 0.60 O ATOM 324 CB LYS A 31 -2.153 6.364 -8.825 1.00 0.57 C ATOM 325 CG LYS A 31 -1.039 7.415 -8.877 1.00 0.57 C ATOM 326 CD LYS A 31 -0.738 7.957 -10.261 1.00 0.69 C ATOM 327 CE LYS A 31 0.467 8.852 -10.008 1.00 0.80 C ATOM 328 NZ LYS A 31 1.046 9.386 -11.259 1.00 1.05 N ATOM 0 H LYS A 31 -0.690 4.544 -7.794 1.00 0.44 H new ATOM 0 HA LYS A 31 -2.171 6.834 -6.750 1.00 0.50 H new ATOM 0 HB2 LYS A 31 -1.931 5.520 -9.478 1.00 0.57 H new ATOM 0 HB3 LYS A 31 -3.105 6.780 -9.155 1.00 0.57 H new ATOM 0 HG2 LYS A 31 -1.314 8.247 -8.228 1.00 0.57 H new ATOM 0 HG3 LYS A 31 -0.128 6.979 -8.467 1.00 0.57 H new ATOM 0 HD2 LYS A 31 -0.510 7.160 -10.969 1.00 0.69 H new ATOM 0 HD3 LYS A 31 -1.580 8.516 -10.670 1.00 0.69 H new ATOM 0 HE2 LYS A 31 0.172 9.681 -9.365 1.00 0.80 H new ATOM 0 HE3 LYS A 31 1.229 8.287 -9.470 1.00 0.80 H new ATOM 0 HZ1 LYS A 31 1.971 9.816 -11.057 1.00 1.05 H new ATOM 0 HZ2 LYS A 31 1.166 8.613 -11.944 1.00 1.05 H new ATOM 0 HZ3 LYS A 31 0.409 10.105 -11.657 1.00 1.05 H new ATOM 342 N SER A 32 -3.614 4.024 -6.660 1.00 0.52 N ATOM 343 CA SER A 32 -4.743 3.415 -5.933 1.00 0.53 C ATOM 344 C SER A 32 -4.873 3.993 -4.517 1.00 0.51 C ATOM 345 O SER A 32 -5.980 4.304 -4.078 1.00 0.72 O ATOM 346 CB SER A 32 -4.591 1.888 -5.884 1.00 0.61 C ATOM 347 OG SER A 32 -5.638 1.297 -5.124 1.00 0.95 O ATOM 0 H SER A 32 -2.893 3.359 -6.939 1.00 0.52 H new ATOM 0 HA SER A 32 -5.658 3.655 -6.474 1.00 0.53 H new ATOM 0 HB2 SER A 32 -4.600 1.485 -6.897 1.00 0.61 H new ATOM 0 HB3 SER A 32 -3.627 1.628 -5.446 1.00 0.61 H new ATOM 0 HG SER A 32 -5.383 0.386 -4.869 1.00 0.95 H new ATOM 353 N LEU A 33 -3.746 4.208 -3.831 1.00 0.48 N ATOM 354 CA LEU A 33 -3.681 4.709 -2.451 1.00 0.52 C ATOM 355 C LEU A 33 -4.008 6.204 -2.351 1.00 0.53 C ATOM 356 O LEU A 33 -4.609 6.657 -1.377 1.00 0.61 O ATOM 357 CB LEU A 33 -2.249 4.514 -1.913 1.00 0.55 C ATOM 358 CG LEU A 33 -1.600 3.144 -2.153 1.00 0.38 C ATOM 359 CD1 LEU A 33 -0.098 3.180 -1.886 1.00 0.54 C ATOM 360 CD2 LEU A 33 -2.229 2.065 -1.291 1.00 0.58 C ATOM 0 H LEU A 33 -2.824 4.033 -4.232 1.00 0.48 H new ATOM 0 HA LEU A 33 -4.419 4.151 -1.874 1.00 0.52 H new ATOM 0 HB2 LEU A 33 -1.611 5.275 -2.362 1.00 0.55 H new ATOM 0 HB3 LEU A 33 -2.261 4.701 -0.839 1.00 0.55 H new ATOM 0 HG LEU A 33 -1.771 2.905 -3.202 1.00 0.38 H new ATOM 0 HD11 LEU A 33 0.327 2.193 -2.066 1.00 0.54 H new ATOM 0 HD12 LEU A 33 0.372 3.905 -2.551 1.00 0.54 H new ATOM 0 HD13 LEU A 33 0.081 3.468 -0.850 1.00 0.54 H new ATOM 0 HD21 LEU A 33 -1.742 1.110 -1.490 1.00 0.58 H new ATOM 0 HD22 LEU A 33 -2.106 2.322 -0.239 1.00 0.58 H new ATOM 0 HD23 LEU A 33 -3.291 1.986 -1.524 1.00 0.58 H new ATOM 372 N GLN A 34 -3.572 6.983 -3.341 1.00 0.51 N ATOM 373 CA GLN A 34 -3.517 8.423 -3.255 1.00 0.60 C ATOM 374 C GLN A 34 -4.900 9.040 -3.539 1.00 0.50 C ATOM 375 O GLN A 34 -5.544 8.738 -4.550 1.00 0.53 O ATOM 376 CB GLN A 34 -2.351 8.819 -4.159 1.00 0.90 C ATOM 377 CG GLN A 34 -1.991 10.290 -4.081 1.00 1.17 C ATOM 378 CD GLN A 34 -0.579 10.510 -4.613 1.00 1.45 C ATOM 379 OE1 GLN A 34 0.354 10.848 -3.895 1.00 3.28 O ATOM 380 NE2 GLN A 34 -0.354 10.264 -5.878 1.00 1.38 N ATOM 0 H GLN A 34 -3.245 6.615 -4.234 1.00 0.51 H new ATOM 0 HA GLN A 34 -3.312 8.824 -2.262 1.00 0.60 H new ATOM 0 HB2 GLN A 34 -1.477 8.226 -3.891 1.00 0.90 H new ATOM 0 HB3 GLN A 34 -2.601 8.570 -5.190 1.00 0.90 H new ATOM 0 HG2 GLN A 34 -2.703 10.878 -4.660 1.00 1.17 H new ATOM 0 HG3 GLN A 34 -2.058 10.635 -3.049 1.00 1.17 H new ATOM 0 HE21 GLN A 34 -1.122 9.982 -6.487 1.00 1.38 H new ATOM 0 HE22 GLN A 34 0.589 10.354 -6.255 1.00 1.38 H new ATOM 389 N GLY A 35 -5.384 9.846 -2.590 1.00 0.60 N ATOM 390 CA GLY A 35 -6.746 10.399 -2.551 1.00 0.64 C ATOM 391 C GLY A 35 -7.796 9.556 -1.805 1.00 0.63 C ATOM 392 O GLY A 35 -8.976 9.899 -1.853 1.00 0.78 O ATOM 0 H GLY A 35 -4.818 10.144 -1.796 1.00 0.60 H new ATOM 0 HA2 GLY A 35 -6.704 11.384 -2.087 1.00 0.64 H new ATOM 0 HA3 GLY A 35 -7.087 10.544 -3.576 1.00 0.64 H new ATOM 396 N VAL A 36 -7.418 8.468 -1.121 1.00 0.56 N ATOM 397 CA VAL A 36 -8.331 7.616 -0.348 1.00 0.62 C ATOM 398 C VAL A 36 -8.639 8.240 1.015 1.00 0.56 C ATOM 399 O VAL A 36 -7.756 8.728 1.729 1.00 0.48 O ATOM 400 CB VAL A 36 -7.769 6.185 -0.211 1.00 0.71 C ATOM 401 CG1 VAL A 36 -8.584 5.290 0.733 1.00 0.92 C ATOM 402 CG2 VAL A 36 -7.736 5.490 -1.578 1.00 0.85 C ATOM 0 H VAL A 36 -6.450 8.149 -1.089 1.00 0.56 H new ATOM 0 HA VAL A 36 -9.273 7.543 -0.892 1.00 0.62 H new ATOM 0 HB VAL A 36 -6.770 6.310 0.206 1.00 0.71 H new ATOM 0 HG11 VAL A 36 -8.129 4.300 0.779 1.00 0.92 H new ATOM 0 HG12 VAL A 36 -8.597 5.730 1.730 1.00 0.92 H new ATOM 0 HG13 VAL A 36 -9.605 5.203 0.361 1.00 0.92 H new ATOM 0 HG21 VAL A 36 -7.337 4.482 -1.464 1.00 0.85 H new ATOM 0 HG22 VAL A 36 -8.746 5.437 -1.984 1.00 0.85 H new ATOM 0 HG23 VAL A 36 -7.101 6.057 -2.259 1.00 0.85 H new ATOM 412 N ALA A 37 -9.912 8.176 1.380 1.00 0.70 N ATOM 413 CA ALA A 37 -10.467 8.685 2.636 1.00 0.74 C ATOM 414 C ALA A 37 -9.873 7.975 3.873 1.00 0.65 C ATOM 415 O ALA A 37 -10.164 6.808 4.141 1.00 0.79 O ATOM 416 CB ALA A 37 -11.995 8.553 2.582 1.00 0.97 C ATOM 0 H ALA A 37 -10.622 7.749 0.785 1.00 0.70 H new ATOM 0 HA ALA A 37 -10.194 9.735 2.744 1.00 0.74 H new ATOM 0 HB1 ALA A 37 -12.426 8.928 3.511 1.00 0.97 H new ATOM 0 HB2 ALA A 37 -12.381 9.132 1.743 1.00 0.97 H new ATOM 0 HB3 ALA A 37 -12.265 7.505 2.454 1.00 0.97 H new ATOM 422 N GLY A 38 -9.060 8.687 4.658 1.00 0.55 N ATOM 423 CA GLY A 38 -8.349 8.155 5.832 1.00 0.53 C ATOM 424 C GLY A 38 -6.891 7.758 5.572 1.00 0.42 C ATOM 425 O GLY A 38 -6.222 7.249 6.473 1.00 0.40 O ATOM 0 H GLY A 38 -8.871 9.676 4.493 1.00 0.55 H new ATOM 0 HA2 GLY A 38 -8.372 8.904 6.624 1.00 0.53 H new ATOM 0 HA3 GLY A 38 -8.888 7.283 6.202 1.00 0.53 H new ATOM 429 N VAL A 39 -6.367 7.988 4.364 1.00 0.44 N ATOM 430 CA VAL A 39 -4.924 7.972 4.065 1.00 0.43 C ATOM 431 C VAL A 39 -4.364 9.391 4.211 1.00 0.50 C ATOM 432 O VAL A 39 -4.972 10.356 3.737 1.00 0.72 O ATOM 433 CB VAL A 39 -4.649 7.388 2.661 1.00 0.53 C ATOM 434 CG1 VAL A 39 -3.154 7.384 2.312 1.00 1.69 C ATOM 435 CG2 VAL A 39 -5.145 5.938 2.554 1.00 1.97 C ATOM 0 H VAL A 39 -6.942 8.195 3.547 1.00 0.44 H new ATOM 0 HA VAL A 39 -4.416 7.321 4.776 1.00 0.43 H new ATOM 0 HB VAL A 39 -5.186 8.034 1.966 1.00 0.53 H new ATOM 0 HG11 VAL A 39 -3.014 6.964 1.316 1.00 1.69 H new ATOM 0 HG12 VAL A 39 -2.773 8.405 2.332 1.00 1.69 H new ATOM 0 HG13 VAL A 39 -2.612 6.780 3.040 1.00 1.69 H new ATOM 0 HG21 VAL A 39 -4.937 5.555 1.555 1.00 1.97 H new ATOM 0 HG22 VAL A 39 -4.631 5.322 3.292 1.00 1.97 H new ATOM 0 HG23 VAL A 39 -6.219 5.906 2.739 1.00 1.97 H new ATOM 445 N GLN A 40 -3.201 9.526 4.848 1.00 0.42 N ATOM 446 CA GLN A 40 -2.418 10.767 4.896 1.00 0.47 C ATOM 447 C GLN A 40 -1.280 10.751 3.870 1.00 0.54 C ATOM 448 O GLN A 40 -1.150 11.671 3.060 1.00 0.77 O ATOM 449 CB GLN A 40 -1.839 10.957 6.308 1.00 0.51 C ATOM 450 CG GLN A 40 -2.815 11.652 7.267 1.00 0.66 C ATOM 451 CD GLN A 40 -2.161 12.036 8.596 1.00 1.75 C ATOM 452 OE1 GLN A 40 -0.948 11.956 8.773 1.00 3.06 O ATOM 453 NE2 GLN A 40 -2.930 12.455 9.578 1.00 1.95 N ATOM 0 H GLN A 40 -2.764 8.758 5.358 1.00 0.42 H new ATOM 0 HA GLN A 40 -3.082 11.596 4.651 1.00 0.47 H new ATOM 0 HB2 GLN A 40 -1.567 9.984 6.717 1.00 0.51 H new ATOM 0 HB3 GLN A 40 -0.922 11.543 6.243 1.00 0.51 H new ATOM 0 HG2 GLN A 40 -3.212 12.548 6.789 1.00 0.66 H new ATOM 0 HG3 GLN A 40 -3.661 10.992 7.460 1.00 0.66 H new ATOM 0 HE21 GLN A 40 -3.938 12.525 9.442 1.00 1.95 H new ATOM 0 HE22 GLN A 40 -2.518 12.710 10.476 1.00 1.95 H new ATOM 462 N ASP A 41 -0.459 9.700 3.900 1.00 0.41 N ATOM 463 CA ASP A 41 0.805 9.608 3.172 1.00 0.38 C ATOM 464 C ASP A 41 1.089 8.165 2.733 1.00 0.30 C ATOM 465 O ASP A 41 0.495 7.202 3.226 1.00 0.30 O ATOM 466 CB ASP A 41 1.961 10.136 4.047 1.00 0.46 C ATOM 467 CG ASP A 41 1.944 11.656 4.226 1.00 0.83 C ATOM 468 OD1 ASP A 41 2.248 12.378 3.245 1.00 1.83 O ATOM 469 OD2 ASP A 41 1.624 12.135 5.343 1.00 2.17 O ATOM 0 H ASP A 41 -0.663 8.865 4.449 1.00 0.41 H new ATOM 0 HA ASP A 41 0.725 10.223 2.276 1.00 0.38 H new ATOM 0 HB2 ASP A 41 1.911 9.662 5.027 1.00 0.46 H new ATOM 0 HB3 ASP A 41 2.910 9.841 3.599 1.00 0.46 H new ATOM 474 N VAL A 42 2.031 8.022 1.810 1.00 0.28 N ATOM 475 CA VAL A 42 2.489 6.755 1.216 1.00 0.29 C ATOM 476 C VAL A 42 4.006 6.756 1.000 1.00 0.31 C ATOM 477 O VAL A 42 4.631 7.815 0.952 1.00 0.47 O ATOM 478 CB VAL A 42 1.764 6.468 -0.119 1.00 0.42 C ATOM 479 CG1 VAL A 42 0.269 6.232 0.109 1.00 0.85 C ATOM 480 CG2 VAL A 42 1.910 7.548 -1.206 1.00 0.62 C ATOM 0 H VAL A 42 2.529 8.827 1.429 1.00 0.28 H new ATOM 0 HA VAL A 42 2.242 5.962 1.922 1.00 0.29 H new ATOM 0 HB VAL A 42 2.267 5.576 -0.492 1.00 0.42 H new ATOM 0 HG11 VAL A 42 -0.218 6.032 -0.846 1.00 0.85 H new ATOM 0 HG12 VAL A 42 0.132 5.377 0.772 1.00 0.85 H new ATOM 0 HG13 VAL A 42 -0.174 7.118 0.564 1.00 0.85 H new ATOM 0 HG21 VAL A 42 1.362 7.243 -2.098 1.00 0.62 H new ATOM 0 HG22 VAL A 42 1.507 8.492 -0.838 1.00 0.62 H new ATOM 0 HG23 VAL A 42 2.964 7.675 -1.453 1.00 0.62 H new ATOM 490 N GLU A 43 4.623 5.583 0.856 1.00 0.32 N ATOM 491 CA GLU A 43 5.971 5.431 0.282 1.00 0.38 C ATOM 492 C GLU A 43 6.112 4.042 -0.360 1.00 0.40 C ATOM 493 O GLU A 43 5.809 3.029 0.264 1.00 0.54 O ATOM 494 CB GLU A 43 7.062 5.686 1.344 1.00 0.42 C ATOM 495 CG GLU A 43 8.482 5.518 0.780 1.00 0.58 C ATOM 496 CD GLU A 43 9.596 6.002 1.722 1.00 1.55 C ATOM 497 OE1 GLU A 43 9.367 6.270 2.925 1.00 2.74 O ATOM 498 OE2 GLU A 43 10.762 6.093 1.267 1.00 2.46 O ATOM 0 H GLU A 43 4.200 4.698 1.136 1.00 0.32 H new ATOM 0 HA GLU A 43 6.109 6.181 -0.497 1.00 0.38 H new ATOM 0 HB2 GLU A 43 6.949 6.695 1.741 1.00 0.42 H new ATOM 0 HB3 GLU A 43 6.922 4.998 2.177 1.00 0.42 H new ATOM 0 HG2 GLU A 43 8.647 4.465 0.551 1.00 0.58 H new ATOM 0 HG3 GLU A 43 8.554 6.064 -0.160 1.00 0.58 H new ATOM 505 N VAL A 44 6.575 3.968 -1.608 1.00 0.31 N ATOM 506 CA VAL A 44 6.791 2.700 -2.323 1.00 0.27 C ATOM 507 C VAL A 44 8.266 2.352 -2.429 1.00 0.30 C ATOM 508 O VAL A 44 9.080 3.152 -2.895 1.00 0.42 O ATOM 509 CB VAL A 44 6.073 2.703 -3.684 1.00 0.43 C ATOM 510 CG1 VAL A 44 6.580 1.639 -4.655 1.00 1.35 C ATOM 511 CG2 VAL A 44 4.604 2.357 -3.451 1.00 1.52 C ATOM 0 H VAL A 44 6.814 4.792 -2.160 1.00 0.31 H new ATOM 0 HA VAL A 44 6.341 1.901 -1.733 1.00 0.27 H new ATOM 0 HB VAL A 44 6.247 3.690 -4.112 1.00 0.43 H new ATOM 0 HG11 VAL A 44 6.025 1.706 -5.590 1.00 1.35 H new ATOM 0 HG12 VAL A 44 7.640 1.800 -4.850 1.00 1.35 H new ATOM 0 HG13 VAL A 44 6.438 0.650 -4.218 1.00 1.35 H new ATOM 0 HG21 VAL A 44 4.075 2.354 -4.404 1.00 1.52 H new ATOM 0 HG22 VAL A 44 4.531 1.371 -2.992 1.00 1.52 H new ATOM 0 HG23 VAL A 44 4.156 3.099 -2.790 1.00 1.52 H new ATOM 521 N HIS A 45 8.574 1.110 -2.053 1.00 0.32 N ATOM 522 CA HIS A 45 9.889 0.496 -2.196 1.00 0.34 C ATOM 523 C HIS A 45 9.838 -0.665 -3.197 1.00 0.31 C ATOM 524 O HIS A 45 9.688 -1.837 -2.841 1.00 0.34 O ATOM 525 CB HIS A 45 10.391 0.006 -0.831 1.00 0.46 C ATOM 526 CG HIS A 45 10.718 1.066 0.193 1.00 0.61 C ATOM 527 ND1 HIS A 45 11.973 1.390 0.653 1.00 0.80 N ATOM 528 CD2 HIS A 45 9.826 1.787 0.935 1.00 0.73 C ATOM 529 CE1 HIS A 45 11.849 2.267 1.660 1.00 1.03 C ATOM 530 NE2 HIS A 45 10.548 2.551 1.867 1.00 1.00 N ATOM 0 H HIS A 45 7.890 0.485 -1.627 1.00 0.32 H new ATOM 0 HA HIS A 45 10.583 1.244 -2.578 1.00 0.34 H new ATOM 0 HB2 HIS A 45 9.634 -0.654 -0.407 1.00 0.46 H new ATOM 0 HB3 HIS A 45 11.285 -0.597 -0.994 1.00 0.46 H new ATOM 0 HD2 HIS A 45 8.752 1.772 0.824 1.00 0.73 H new ATOM 0 HE1 HIS A 45 12.671 2.684 2.222 1.00 1.03 H new ATOM 0 HE2 HIS A 45 10.164 3.192 2.561 1.00 1.00 H new ATOM 538 N LEU A 46 10.003 -0.336 -4.473 1.00 0.31 N ATOM 539 CA LEU A 46 10.098 -1.290 -5.577 1.00 0.33 C ATOM 540 C LEU A 46 11.294 -2.245 -5.391 1.00 0.31 C ATOM 541 O LEU A 46 11.198 -3.443 -5.657 1.00 0.40 O ATOM 542 CB LEU A 46 10.222 -0.419 -6.842 1.00 0.44 C ATOM 543 CG LEU A 46 9.978 -1.074 -8.208 1.00 0.65 C ATOM 544 CD1 LEU A 46 11.148 -1.935 -8.671 1.00 1.30 C ATOM 545 CD2 LEU A 46 8.684 -1.888 -8.217 1.00 0.97 C ATOM 0 H LEU A 46 10.077 0.634 -4.780 1.00 0.31 H new ATOM 0 HA LEU A 46 9.230 -1.946 -5.637 1.00 0.33 H new ATOM 0 HB2 LEU A 46 9.523 0.411 -6.743 1.00 0.44 H new ATOM 0 HB3 LEU A 46 11.225 0.008 -6.853 1.00 0.44 H new ATOM 0 HG LEU A 46 9.880 -0.253 -8.919 1.00 0.65 H new ATOM 0 HD11 LEU A 46 10.917 -2.371 -9.643 1.00 1.30 H new ATOM 0 HD12 LEU A 46 12.043 -1.318 -8.754 1.00 1.30 H new ATOM 0 HD13 LEU A 46 11.322 -2.732 -7.948 1.00 1.30 H new ATOM 0 HD21 LEU A 46 8.544 -2.337 -9.200 1.00 0.97 H new ATOM 0 HD22 LEU A 46 8.743 -2.674 -7.464 1.00 0.97 H new ATOM 0 HD23 LEU A 46 7.841 -1.234 -7.993 1.00 0.97 H new ATOM 557 N GLU A 47 12.385 -1.736 -4.810 1.00 0.32 N ATOM 558 CA GLU A 47 13.607 -2.497 -4.503 1.00 0.41 C ATOM 559 C GLU A 47 13.439 -3.578 -3.412 1.00 0.48 C ATOM 560 O GLU A 47 14.319 -4.436 -3.275 1.00 0.69 O ATOM 561 CB GLU A 47 14.739 -1.522 -4.137 1.00 0.55 C ATOM 562 CG GLU A 47 15.357 -0.890 -5.391 1.00 0.91 C ATOM 563 CD GLU A 47 16.508 0.048 -5.023 1.00 1.80 C ATOM 564 OE1 GLU A 47 16.256 1.230 -4.693 1.00 2.82 O ATOM 565 OE2 GLU A 47 17.684 -0.386 -5.035 1.00 2.68 O ATOM 0 H GLU A 47 12.447 -0.757 -4.531 1.00 0.32 H new ATOM 0 HA GLU A 47 13.857 -3.052 -5.407 1.00 0.41 H new ATOM 0 HB2 GLU A 47 14.351 -0.739 -3.486 1.00 0.55 H new ATOM 0 HB3 GLU A 47 15.510 -2.050 -3.576 1.00 0.55 H new ATOM 0 HG2 GLU A 47 15.720 -1.674 -6.056 1.00 0.91 H new ATOM 0 HG3 GLU A 47 14.593 -0.337 -5.938 1.00 0.91 H new ATOM 572 N ASP A 48 12.314 -3.605 -2.690 1.00 0.43 N ATOM 573 CA ASP A 48 11.894 -4.717 -1.813 1.00 0.49 C ATOM 574 C ASP A 48 10.591 -5.402 -2.280 1.00 0.48 C ATOM 575 O ASP A 48 10.170 -6.415 -1.714 1.00 0.67 O ATOM 576 CB ASP A 48 11.743 -4.208 -0.360 1.00 0.64 C ATOM 577 CG ASP A 48 12.576 -5.033 0.621 1.00 1.25 C ATOM 578 OD1 ASP A 48 12.382 -6.267 0.694 1.00 2.12 O ATOM 579 OD2 ASP A 48 13.469 -4.458 1.292 1.00 1.81 O ATOM 0 H ASP A 48 11.647 -2.834 -2.696 1.00 0.43 H new ATOM 0 HA ASP A 48 12.675 -5.476 -1.864 1.00 0.49 H new ATOM 0 HB2 ASP A 48 12.049 -3.163 -0.307 1.00 0.64 H new ATOM 0 HB3 ASP A 48 10.693 -4.248 -0.068 1.00 0.64 H new ATOM 584 N GLN A 49 9.916 -4.829 -3.285 1.00 0.34 N ATOM 585 CA GLN A 49 8.487 -5.026 -3.573 1.00 0.31 C ATOM 586 C GLN A 49 7.634 -4.831 -2.308 1.00 0.33 C ATOM 587 O GLN A 49 6.873 -5.709 -1.888 1.00 0.55 O ATOM 588 CB GLN A 49 8.215 -6.350 -4.302 1.00 0.42 C ATOM 589 CG GLN A 49 9.171 -6.586 -5.462 1.00 0.44 C ATOM 590 CD GLN A 49 8.842 -7.720 -6.432 1.00 2.25 C ATOM 591 OE1 GLN A 49 7.727 -8.205 -6.570 1.00 3.73 O ATOM 592 NE2 GLN A 49 9.821 -8.177 -7.178 1.00 2.84 N ATOM 0 H GLN A 49 10.365 -4.193 -3.944 1.00 0.34 H new ATOM 0 HA GLN A 49 8.178 -4.251 -4.274 1.00 0.31 H new ATOM 0 HB2 GLN A 49 8.298 -7.174 -3.594 1.00 0.42 H new ATOM 0 HB3 GLN A 49 7.190 -6.352 -4.674 1.00 0.42 H new ATOM 0 HG2 GLN A 49 9.237 -5.662 -6.036 1.00 0.44 H new ATOM 0 HG3 GLN A 49 10.161 -6.775 -5.048 1.00 0.44 H new ATOM 0 HE21 GLN A 49 10.759 -7.789 -7.082 1.00 2.84 H new ATOM 0 HE22 GLN A 49 9.643 -8.920 -7.854 1.00 2.84 H new ATOM 601 N MET A 50 7.830 -3.683 -1.655 1.00 0.32 N ATOM 602 CA MET A 50 7.137 -3.288 -0.432 1.00 0.31 C ATOM 603 C MET A 50 6.428 -1.936 -0.598 1.00 0.27 C ATOM 604 O MET A 50 6.881 -1.069 -1.348 1.00 0.30 O ATOM 605 CB MET A 50 8.124 -3.282 0.750 1.00 0.40 C ATOM 606 CG MET A 50 7.558 -2.697 2.057 1.00 0.40 C ATOM 607 SD MET A 50 8.363 -3.261 3.575 1.00 0.87 S ATOM 608 CE MET A 50 7.723 -4.959 3.623 1.00 0.64 C ATOM 0 H MET A 50 8.498 -2.982 -1.976 1.00 0.32 H new ATOM 0 HA MET A 50 6.358 -4.020 -0.220 1.00 0.31 H new ATOM 0 HB2 MET A 50 8.452 -4.305 0.937 1.00 0.40 H new ATOM 0 HB3 MET A 50 9.008 -2.711 0.465 1.00 0.40 H new ATOM 0 HG2 MET A 50 7.631 -1.610 2.010 1.00 0.40 H new ATOM 0 HG3 MET A 50 6.498 -2.943 2.116 1.00 0.40 H new ATOM 0 HE1 MET A 50 7.888 -5.382 4.614 1.00 0.64 H new ATOM 0 HE2 MET A 50 6.655 -4.952 3.405 1.00 0.64 H new ATOM 0 HE3 MET A 50 8.241 -5.564 2.879 1.00 0.64 H new ATOM 618 N VAL A 51 5.326 -1.735 0.125 1.00 0.26 N ATOM 619 CA VAL A 51 4.541 -0.499 0.123 1.00 0.27 C ATOM 620 C VAL A 51 4.185 -0.060 1.542 1.00 0.27 C ATOM 621 O VAL A 51 3.691 -0.861 2.334 1.00 0.31 O ATOM 622 CB VAL A 51 3.256 -0.657 -0.714 1.00 0.35 C ATOM 623 CG1 VAL A 51 2.692 0.733 -0.999 1.00 0.57 C ATOM 624 CG2 VAL A 51 3.491 -1.365 -2.055 1.00 0.70 C ATOM 0 H VAL A 51 4.943 -2.448 0.746 1.00 0.26 H new ATOM 0 HA VAL A 51 5.162 0.273 -0.331 1.00 0.27 H new ATOM 0 HB VAL A 51 2.567 -1.273 -0.136 1.00 0.35 H new ATOM 0 HG11 VAL A 51 1.781 0.642 -1.591 1.00 0.57 H new ATOM 0 HG12 VAL A 51 2.464 1.233 -0.058 1.00 0.57 H new ATOM 0 HG13 VAL A 51 3.427 1.318 -1.552 1.00 0.57 H new ATOM 0 HG21 VAL A 51 2.547 -1.444 -2.595 1.00 0.70 H new ATOM 0 HG22 VAL A 51 4.202 -0.792 -2.649 1.00 0.70 H new ATOM 0 HG23 VAL A 51 3.891 -2.363 -1.874 1.00 0.70 H new ATOM 634 N LEU A 52 4.411 1.220 1.841 1.00 0.35 N ATOM 635 CA LEU A 52 3.989 1.903 3.060 1.00 0.37 C ATOM 636 C LEU A 52 2.738 2.726 2.788 1.00 0.37 C ATOM 637 O LEU A 52 2.666 3.491 1.824 1.00 0.38 O ATOM 638 CB LEU A 52 5.083 2.838 3.607 1.00 0.41 C ATOM 639 CG LEU A 52 6.305 2.159 4.251 1.00 0.45 C ATOM 640 CD1 LEU A 52 7.208 1.442 3.252 1.00 0.90 C ATOM 641 CD2 LEU A 52 7.161 3.214 4.955 1.00 0.96 C ATOM 0 H LEU A 52 4.919 1.837 1.207 1.00 0.35 H new ATOM 0 HA LEU A 52 3.788 1.133 3.805 1.00 0.37 H new ATOM 0 HB2 LEU A 52 5.434 3.468 2.790 1.00 0.41 H new ATOM 0 HB3 LEU A 52 4.630 3.498 4.347 1.00 0.41 H new ATOM 0 HG LEU A 52 5.903 1.416 4.940 1.00 0.45 H new ATOM 0 HD11 LEU A 52 8.047 0.989 3.780 1.00 0.90 H new ATOM 0 HD12 LEU A 52 6.640 0.666 2.739 1.00 0.90 H new ATOM 0 HD13 LEU A 52 7.584 2.159 2.522 1.00 0.90 H new ATOM 0 HD21 LEU A 52 8.027 2.734 5.412 1.00 0.96 H new ATOM 0 HD22 LEU A 52 7.497 3.954 4.229 1.00 0.96 H new ATOM 0 HD23 LEU A 52 6.570 3.706 5.727 1.00 0.96 H new ATOM 653 N VAL A 53 1.780 2.604 3.700 1.00 0.35 N ATOM 654 CA VAL A 53 0.526 3.351 3.703 1.00 0.30 C ATOM 655 C VAL A 53 0.304 3.915 5.106 1.00 0.25 C ATOM 656 O VAL A 53 0.116 3.159 6.058 1.00 0.20 O ATOM 657 CB VAL A 53 -0.638 2.445 3.260 1.00 0.33 C ATOM 658 CG1 VAL A 53 -1.897 3.294 3.037 1.00 0.33 C ATOM 659 CG2 VAL A 53 -0.348 1.677 1.962 1.00 0.38 C ATOM 0 H VAL A 53 1.857 1.959 4.486 1.00 0.35 H new ATOM 0 HA VAL A 53 0.573 4.177 2.993 1.00 0.30 H new ATOM 0 HB VAL A 53 -0.779 1.716 4.058 1.00 0.33 H new ATOM 0 HG11 VAL A 53 -2.719 2.650 2.724 1.00 0.33 H new ATOM 0 HG12 VAL A 53 -2.165 3.799 3.965 1.00 0.33 H new ATOM 0 HG13 VAL A 53 -1.703 4.037 2.263 1.00 0.33 H new ATOM 0 HG21 VAL A 53 -1.208 1.058 1.706 1.00 0.38 H new ATOM 0 HG22 VAL A 53 -0.157 2.385 1.155 1.00 0.38 H new ATOM 0 HG23 VAL A 53 0.527 1.042 2.102 1.00 0.38 H new ATOM 669 N HIS A 54 0.353 5.239 5.238 1.00 0.29 N ATOM 670 CA HIS A 54 0.137 5.978 6.484 1.00 0.24 C ATOM 671 C HIS A 54 -1.361 6.305 6.593 1.00 0.23 C ATOM 672 O HIS A 54 -1.858 7.222 5.931 1.00 0.27 O ATOM 673 CB HIS A 54 1.011 7.249 6.508 1.00 0.27 C ATOM 674 CG HIS A 54 2.495 7.045 6.277 1.00 0.35 C ATOM 675 ND1 HIS A 54 3.503 7.430 7.134 1.00 0.55 N ATOM 676 CD2 HIS A 54 3.105 6.524 5.165 1.00 0.40 C ATOM 677 CE1 HIS A 54 4.681 7.137 6.560 1.00 0.64 C ATOM 678 NE2 HIS A 54 4.487 6.573 5.356 1.00 0.52 N ATOM 0 H HIS A 54 0.552 5.853 4.448 1.00 0.29 H new ATOM 0 HA HIS A 54 0.431 5.378 7.345 1.00 0.24 H new ATOM 0 HB2 HIS A 54 0.637 7.936 5.749 1.00 0.27 H new ATOM 0 HB3 HIS A 54 0.878 7.738 7.473 1.00 0.27 H new ATOM 0 HD2 HIS A 54 2.602 6.141 4.290 1.00 0.40 H new ATOM 0 HE1 HIS A 54 5.647 7.328 7.003 1.00 0.64 H new ATOM 0 HE2 HIS A 54 5.206 6.246 4.711 1.00 0.52 H new ATOM 686 N THR A 55 -2.113 5.512 7.360 1.00 0.22 N ATOM 687 CA THR A 55 -3.585 5.527 7.330 1.00 0.23 C ATOM 688 C THR A 55 -4.244 5.098 8.645 1.00 0.24 C ATOM 689 O THR A 55 -3.675 4.332 9.426 1.00 0.28 O ATOM 690 CB THR A 55 -4.081 4.645 6.175 1.00 0.27 C ATOM 691 OG1 THR A 55 -5.480 4.702 6.060 1.00 0.32 O ATOM 692 CG2 THR A 55 -3.719 3.166 6.300 1.00 0.31 C ATOM 0 H THR A 55 -1.723 4.840 8.021 1.00 0.22 H new ATOM 0 HA THR A 55 -3.881 6.565 7.178 1.00 0.23 H new ATOM 0 HB THR A 55 -3.575 5.055 5.301 1.00 0.27 H new ATOM 0 HG1 THR A 55 -5.786 5.616 6.239 1.00 0.32 H new ATOM 0 HG21 THR A 55 -4.110 2.622 5.440 1.00 0.31 H new ATOM 0 HG22 THR A 55 -2.635 3.058 6.335 1.00 0.31 H new ATOM 0 HG23 THR A 55 -4.153 2.761 7.214 1.00 0.31 H new ATOM 700 N THR A 56 -5.475 5.563 8.882 1.00 0.27 N ATOM 701 CA THR A 56 -6.322 5.129 10.009 1.00 0.31 C ATOM 702 C THR A 56 -7.139 3.865 9.715 1.00 0.32 C ATOM 703 O THR A 56 -7.611 3.222 10.654 1.00 0.48 O ATOM 704 CB THR A 56 -7.275 6.244 10.459 1.00 0.44 C ATOM 705 OG1 THR A 56 -8.271 6.472 9.488 1.00 0.57 O ATOM 706 CG2 THR A 56 -6.566 7.577 10.681 1.00 0.42 C ATOM 0 H THR A 56 -5.922 6.263 8.290 1.00 0.27 H new ATOM 0 HA THR A 56 -5.621 4.891 10.810 1.00 0.31 H new ATOM 0 HB THR A 56 -7.701 5.897 11.400 1.00 0.44 H new ATOM 0 HG1 THR A 56 -8.869 7.185 9.794 1.00 0.57 H new ATOM 0 HG21 THR A 56 -7.291 8.326 10.998 1.00 0.42 H new ATOM 0 HG22 THR A 56 -5.804 7.460 11.452 1.00 0.42 H new ATOM 0 HG23 THR A 56 -6.095 7.898 9.752 1.00 0.42 H new ATOM 714 N LEU A 57 -7.274 3.492 8.434 1.00 0.34 N ATOM 715 CA LEU A 57 -8.049 2.343 7.935 1.00 0.37 C ATOM 716 C LEU A 57 -7.626 1.016 8.596 1.00 0.45 C ATOM 717 O LEU A 57 -6.481 0.908 9.061 1.00 0.54 O ATOM 718 CB LEU A 57 -7.877 2.271 6.398 1.00 0.32 C ATOM 719 CG LEU A 57 -8.484 3.460 5.623 1.00 0.31 C ATOM 720 CD1 LEU A 57 -8.137 3.335 4.140 1.00 0.41 C ATOM 721 CD2 LEU A 57 -10.004 3.529 5.747 1.00 0.42 C ATOM 0 H LEU A 57 -6.823 4.009 7.679 1.00 0.34 H new ATOM 0 HA LEU A 57 -9.098 2.489 8.194 1.00 0.37 H new ATOM 0 HB2 LEU A 57 -6.813 2.210 6.168 1.00 0.32 H new ATOM 0 HB3 LEU A 57 -8.334 1.349 6.038 1.00 0.32 H new ATOM 0 HG LEU A 57 -8.062 4.366 6.058 1.00 0.31 H new ATOM 0 HD11 LEU A 57 -8.566 4.175 3.594 1.00 0.41 H new ATOM 0 HD12 LEU A 57 -7.054 3.338 4.018 1.00 0.41 H new ATOM 0 HD13 LEU A 57 -8.543 2.402 3.749 1.00 0.41 H new ATOM 0 HD21 LEU A 57 -10.377 4.384 5.183 1.00 0.42 H new ATOM 0 HD22 LEU A 57 -10.443 2.613 5.351 1.00 0.42 H new ATOM 0 HD23 LEU A 57 -10.279 3.639 6.796 1.00 0.42 H new ATOM 733 N PRO A 58 -8.493 -0.018 8.627 1.00 0.46 N ATOM 734 CA PRO A 58 -8.094 -1.354 9.069 1.00 0.49 C ATOM 735 C PRO A 58 -7.177 -1.941 7.997 1.00 0.40 C ATOM 736 O PRO A 58 -7.476 -1.809 6.808 1.00 0.37 O ATOM 737 CB PRO A 58 -9.394 -2.173 9.194 1.00 0.58 C ATOM 738 CG PRO A 58 -10.516 -1.148 8.977 1.00 0.62 C ATOM 739 CD PRO A 58 -9.837 -0.126 8.073 1.00 0.47 C ATOM 0 HA PRO A 58 -7.562 -1.352 10.020 1.00 0.49 H new ATOM 0 HB2 PRO A 58 -9.435 -2.969 8.451 1.00 0.58 H new ATOM 0 HB3 PRO A 58 -9.472 -2.646 10.173 1.00 0.58 H new ATOM 0 HG2 PRO A 58 -11.391 -1.594 8.504 1.00 0.62 H new ATOM 0 HG3 PRO A 58 -10.851 -0.705 9.915 1.00 0.62 H new ATOM 0 HD2 PRO A 58 -9.817 -0.459 7.035 1.00 0.47 H new ATOM 0 HD3 PRO A 58 -10.356 0.832 8.090 1.00 0.47 H new ATOM 747 N SER A 59 -6.098 -2.638 8.354 1.00 0.43 N ATOM 748 CA SER A 59 -5.172 -3.165 7.330 1.00 0.48 C ATOM 749 C SER A 59 -5.853 -4.178 6.393 1.00 0.44 C ATOM 750 O SER A 59 -5.484 -4.278 5.226 1.00 0.55 O ATOM 751 CB SER A 59 -3.873 -3.720 7.931 1.00 0.61 C ATOM 752 OG SER A 59 -3.623 -3.220 9.238 1.00 1.22 O ATOM 0 H SER A 59 -5.840 -2.851 9.318 1.00 0.43 H new ATOM 0 HA SER A 59 -4.885 -2.310 6.717 1.00 0.48 H new ATOM 0 HB2 SER A 59 -3.928 -4.808 7.966 1.00 0.61 H new ATOM 0 HB3 SER A 59 -3.037 -3.464 7.281 1.00 0.61 H new ATOM 0 HG SER A 59 -2.788 -3.602 9.580 1.00 1.22 H new ATOM 758 N GLN A 60 -6.934 -4.808 6.866 1.00 0.38 N ATOM 759 CA GLN A 60 -7.920 -5.588 6.101 1.00 0.42 C ATOM 760 C GLN A 60 -8.433 -4.848 4.851 1.00 0.42 C ATOM 761 O GLN A 60 -8.519 -5.423 3.766 1.00 0.58 O ATOM 762 CB GLN A 60 -9.143 -5.887 7.001 1.00 0.60 C ATOM 763 CG GLN A 60 -8.800 -6.334 8.431 1.00 0.99 C ATOM 764 CD GLN A 60 -10.009 -6.625 9.309 1.00 1.58 C ATOM 765 OE1 GLN A 60 -11.161 -6.364 8.978 1.00 2.98 O ATOM 766 NE2 GLN A 60 -9.768 -7.143 10.486 1.00 1.92 N ATOM 0 H GLN A 60 -7.161 -4.787 7.860 1.00 0.38 H new ATOM 0 HA GLN A 60 -7.415 -6.498 5.778 1.00 0.42 H new ATOM 0 HB2 GLN A 60 -9.764 -4.993 7.055 1.00 0.60 H new ATOM 0 HB3 GLN A 60 -9.743 -6.664 6.527 1.00 0.60 H new ATOM 0 HG2 GLN A 60 -8.180 -7.229 8.379 1.00 0.99 H new ATOM 0 HG3 GLN A 60 -8.200 -5.558 8.906 1.00 0.99 H new ATOM 0 HE21 GLN A 60 -8.810 -7.360 10.761 1.00 1.92 H new ATOM 0 HE22 GLN A 60 -10.538 -7.330 11.128 1.00 1.92 H new ATOM 775 N GLU A 61 -8.766 -3.564 5.001 1.00 0.35 N ATOM 776 CA GLU A 61 -9.341 -2.718 3.955 1.00 0.36 C ATOM 777 C GLU A 61 -8.265 -2.276 2.958 1.00 0.39 C ATOM 778 O GLU A 61 -8.473 -2.310 1.744 1.00 0.45 O ATOM 779 CB GLU A 61 -10.005 -1.503 4.630 1.00 0.42 C ATOM 780 CG GLU A 61 -10.928 -0.755 3.672 1.00 0.86 C ATOM 781 CD GLU A 61 -11.683 0.432 4.277 1.00 1.44 C ATOM 782 OE1 GLU A 61 -11.901 0.481 5.508 1.00 1.99 O ATOM 783 OE2 GLU A 61 -12.226 1.254 3.493 1.00 2.61 O ATOM 0 H GLU A 61 -8.638 -3.069 5.884 1.00 0.35 H new ATOM 0 HA GLU A 61 -10.087 -3.278 3.391 1.00 0.36 H new ATOM 0 HB2 GLU A 61 -10.575 -1.836 5.498 1.00 0.42 H new ATOM 0 HB3 GLU A 61 -9.234 -0.825 4.996 1.00 0.42 H new ATOM 0 HG2 GLU A 61 -10.336 -0.396 2.830 1.00 0.86 H new ATOM 0 HG3 GLU A 61 -11.656 -1.460 3.271 1.00 0.86 H new ATOM 790 N VAL A 62 -7.083 -1.915 3.468 1.00 0.36 N ATOM 791 CA VAL A 62 -5.940 -1.484 2.674 1.00 0.35 C ATOM 792 C VAL A 62 -5.379 -2.650 1.863 1.00 0.31 C ATOM 793 O VAL A 62 -5.033 -2.450 0.706 1.00 0.30 O ATOM 794 CB VAL A 62 -4.834 -0.890 3.567 1.00 0.36 C ATOM 795 CG1 VAL A 62 -3.872 -0.054 2.727 1.00 0.39 C ATOM 796 CG2 VAL A 62 -5.351 0.014 4.689 1.00 0.41 C ATOM 0 H VAL A 62 -6.895 -1.916 4.471 1.00 0.36 H new ATOM 0 HA VAL A 62 -6.286 -0.708 1.991 1.00 0.35 H new ATOM 0 HB VAL A 62 -4.347 -1.752 4.022 1.00 0.36 H new ATOM 0 HG11 VAL A 62 -3.095 0.361 3.369 1.00 0.39 H new ATOM 0 HG12 VAL A 62 -3.415 -0.683 1.963 1.00 0.39 H new ATOM 0 HG13 VAL A 62 -4.419 0.758 2.248 1.00 0.39 H new ATOM 0 HG21 VAL A 62 -4.509 0.390 5.270 1.00 0.41 H new ATOM 0 HG22 VAL A 62 -5.898 0.852 4.258 1.00 0.41 H new ATOM 0 HG23 VAL A 62 -6.015 -0.556 5.339 1.00 0.41 H new ATOM 806 N GLN A 63 -5.359 -3.873 2.408 1.00 0.31 N ATOM 807 CA GLN A 63 -4.976 -5.091 1.684 1.00 0.31 C ATOM 808 C GLN A 63 -5.791 -5.252 0.401 1.00 0.33 C ATOM 809 O GLN A 63 -5.218 -5.504 -0.653 1.00 0.38 O ATOM 810 CB GLN A 63 -5.182 -6.318 2.587 1.00 0.36 C ATOM 811 CG GLN A 63 -4.817 -7.643 1.895 1.00 0.44 C ATOM 812 CD GLN A 63 -5.187 -8.823 2.781 1.00 0.65 C ATOM 813 OE1 GLN A 63 -4.491 -9.169 3.728 1.00 1.11 O ATOM 814 NE2 GLN A 63 -6.314 -9.450 2.550 1.00 1.73 N ATOM 0 H GLN A 63 -5.613 -4.046 3.381 1.00 0.31 H new ATOM 0 HA GLN A 63 -3.924 -5.008 1.411 1.00 0.31 H new ATOM 0 HB2 GLN A 63 -4.577 -6.206 3.487 1.00 0.36 H new ATOM 0 HB3 GLN A 63 -6.223 -6.356 2.906 1.00 0.36 H new ATOM 0 HG2 GLN A 63 -5.339 -7.718 0.941 1.00 0.44 H new ATOM 0 HG3 GLN A 63 -3.749 -7.665 1.677 1.00 0.44 H new ATOM 0 HE21 GLN A 63 -6.901 -9.170 1.764 1.00 1.73 H new ATOM 0 HE22 GLN A 63 -6.604 -10.218 3.156 1.00 1.73 H new ATOM 823 N ALA A 64 -7.109 -5.066 0.469 1.00 0.36 N ATOM 824 CA ALA A 64 -7.981 -5.244 -0.680 1.00 0.43 C ATOM 825 C ALA A 64 -7.944 -4.011 -1.610 1.00 0.40 C ATOM 826 O ALA A 64 -8.154 -4.153 -2.818 1.00 0.47 O ATOM 827 CB ALA A 64 -9.376 -5.598 -0.158 1.00 0.54 C ATOM 0 H ALA A 64 -7.596 -4.789 1.321 1.00 0.36 H new ATOM 0 HA ALA A 64 -7.639 -6.065 -1.310 1.00 0.43 H new ATOM 0 HB1 ALA A 64 -10.055 -5.738 -0.999 1.00 0.54 H new ATOM 0 HB2 ALA A 64 -9.324 -6.518 0.423 1.00 0.54 H new ATOM 0 HB3 ALA A 64 -9.744 -4.790 0.474 1.00 0.54 H new ATOM 833 N LEU A 65 -7.598 -2.821 -1.091 1.00 0.35 N ATOM 834 CA LEU A 65 -7.291 -1.625 -1.885 1.00 0.37 C ATOM 835 C LEU A 65 -5.988 -1.757 -2.699 1.00 0.34 C ATOM 836 O LEU A 65 -5.924 -1.368 -3.868 1.00 0.42 O ATOM 837 CB LEU A 65 -7.240 -0.392 -0.971 1.00 0.40 C ATOM 838 CG LEU A 65 -8.625 0.148 -0.567 1.00 0.54 C ATOM 839 CD1 LEU A 65 -8.461 1.195 0.530 1.00 0.63 C ATOM 840 CD2 LEU A 65 -9.347 0.805 -1.744 1.00 0.65 C ATOM 0 H LEU A 65 -7.523 -2.663 -0.086 1.00 0.35 H new ATOM 0 HA LEU A 65 -8.093 -1.508 -2.614 1.00 0.37 H new ATOM 0 HB2 LEU A 65 -6.683 -0.644 -0.069 1.00 0.40 H new ATOM 0 HB3 LEU A 65 -6.687 0.399 -1.477 1.00 0.40 H new ATOM 0 HG LEU A 65 -9.217 -0.699 -0.221 1.00 0.54 H new ATOM 0 HD11 LEU A 65 -9.440 1.578 0.817 1.00 0.63 H new ATOM 0 HD12 LEU A 65 -7.981 0.741 1.397 1.00 0.63 H new ATOM 0 HD13 LEU A 65 -7.845 2.015 0.161 1.00 0.63 H new ATOM 0 HD21 LEU A 65 -10.319 1.172 -1.415 1.00 0.65 H new ATOM 0 HD22 LEU A 65 -8.752 1.639 -2.117 1.00 0.65 H new ATOM 0 HD23 LEU A 65 -9.485 0.073 -2.540 1.00 0.65 H new ATOM 852 N LEU A 66 -4.963 -2.349 -2.086 1.00 0.29 N ATOM 853 CA LEU A 66 -3.705 -2.758 -2.711 1.00 0.31 C ATOM 854 C LEU A 66 -3.938 -3.897 -3.710 1.00 0.34 C ATOM 855 O LEU A 66 -3.460 -3.826 -4.835 1.00 0.40 O ATOM 856 CB LEU A 66 -2.718 -3.190 -1.610 1.00 0.30 C ATOM 857 CG LEU A 66 -2.107 -2.016 -0.821 1.00 0.33 C ATOM 858 CD1 LEU A 66 -1.709 -2.466 0.582 1.00 0.34 C ATOM 859 CD2 LEU A 66 -0.850 -1.495 -1.525 1.00 0.38 C ATOM 0 H LEU A 66 -4.989 -2.567 -1.090 1.00 0.29 H new ATOM 0 HA LEU A 66 -3.286 -1.918 -3.265 1.00 0.31 H new ATOM 0 HB2 LEU A 66 -3.233 -3.853 -0.915 1.00 0.30 H new ATOM 0 HB3 LEU A 66 -1.913 -3.767 -2.064 1.00 0.30 H new ATOM 0 HG LEU A 66 -2.859 -1.229 -0.764 1.00 0.33 H new ATOM 0 HD11 LEU A 66 -1.279 -1.625 1.126 1.00 0.34 H new ATOM 0 HD12 LEU A 66 -2.590 -2.828 1.112 1.00 0.34 H new ATOM 0 HD13 LEU A 66 -0.973 -3.267 0.512 1.00 0.34 H new ATOM 0 HD21 LEU A 66 -0.431 -0.666 -0.955 1.00 0.38 H new ATOM 0 HD22 LEU A 66 -0.114 -2.296 -1.595 1.00 0.38 H new ATOM 0 HD23 LEU A 66 -1.110 -1.152 -2.526 1.00 0.38 H new ATOM 871 N GLU A 67 -4.728 -4.913 -3.367 1.00 0.35 N ATOM 872 CA GLU A 67 -5.092 -5.997 -4.289 1.00 0.45 C ATOM 873 C GLU A 67 -5.897 -5.509 -5.508 1.00 0.46 C ATOM 874 O GLU A 67 -5.725 -6.038 -6.605 1.00 0.56 O ATOM 875 CB GLU A 67 -5.819 -7.103 -3.503 1.00 0.61 C ATOM 876 CG GLU A 67 -4.858 -8.081 -2.799 1.00 0.61 C ATOM 877 CD GLU A 67 -5.321 -9.533 -2.925 1.00 1.07 C ATOM 878 OE1 GLU A 67 -4.956 -10.193 -3.927 1.00 2.20 O ATOM 879 OE2 GLU A 67 -6.029 -10.047 -2.025 1.00 1.70 O ATOM 0 H GLU A 67 -5.138 -5.011 -2.438 1.00 0.35 H new ATOM 0 HA GLU A 67 -4.177 -6.409 -4.714 1.00 0.45 H new ATOM 0 HB2 GLU A 67 -6.469 -6.643 -2.758 1.00 0.61 H new ATOM 0 HB3 GLU A 67 -6.461 -7.662 -4.184 1.00 0.61 H new ATOM 0 HG2 GLU A 67 -3.861 -7.980 -3.228 1.00 0.61 H new ATOM 0 HG3 GLU A 67 -4.780 -7.816 -1.745 1.00 0.61 H new ATOM 886 N GLY A 68 -6.649 -4.409 -5.369 1.00 0.43 N ATOM 887 CA GLY A 68 -7.290 -3.675 -6.471 1.00 0.54 C ATOM 888 C GLY A 68 -6.329 -3.087 -7.521 1.00 0.55 C ATOM 889 O GLY A 68 -6.783 -2.495 -8.502 1.00 0.73 O ATOM 0 H GLY A 68 -6.835 -3.991 -4.457 1.00 0.43 H new ATOM 0 HA2 GLY A 68 -7.986 -4.346 -6.975 1.00 0.54 H new ATOM 0 HA3 GLY A 68 -7.881 -2.862 -6.048 1.00 0.54 H new ATOM 893 N THR A 69 -5.012 -3.243 -7.343 1.00 0.48 N ATOM 894 CA THR A 69 -3.956 -2.872 -8.309 1.00 0.55 C ATOM 895 C THR A 69 -3.573 -4.029 -9.251 1.00 0.63 C ATOM 896 O THR A 69 -2.583 -3.938 -9.979 1.00 0.90 O ATOM 897 CB THR A 69 -2.729 -2.262 -7.600 1.00 0.53 C ATOM 898 OG1 THR A 69 -2.022 -3.224 -6.863 1.00 0.72 O ATOM 899 CG2 THR A 69 -3.120 -1.112 -6.670 1.00 0.69 C ATOM 0 H THR A 69 -4.631 -3.648 -6.488 1.00 0.48 H new ATOM 0 HA THR A 69 -4.377 -2.097 -8.949 1.00 0.55 H new ATOM 0 HB THR A 69 -2.087 -1.875 -8.391 1.00 0.53 H new ATOM 0 HG1 THR A 69 -2.650 -3.750 -6.325 1.00 0.72 H new ATOM 0 HG21 THR A 69 -2.226 -0.711 -6.191 1.00 0.69 H new ATOM 0 HG22 THR A 69 -3.605 -0.326 -7.248 1.00 0.69 H new ATOM 0 HG23 THR A 69 -3.807 -1.478 -5.907 1.00 0.69 H new ATOM 907 N GLY A 70 -4.356 -5.118 -9.256 1.00 0.52 N ATOM 908 CA GLY A 70 -4.282 -6.204 -10.252 1.00 0.58 C ATOM 909 C GLY A 70 -3.360 -7.367 -9.866 1.00 0.48 C ATOM 910 O GLY A 70 -3.065 -8.234 -10.698 1.00 0.65 O ATOM 0 H GLY A 70 -5.077 -5.274 -8.551 1.00 0.52 H new ATOM 0 HA2 GLY A 70 -5.286 -6.594 -10.419 1.00 0.58 H new ATOM 0 HA3 GLY A 70 -3.941 -5.787 -11.199 1.00 0.58 H new ATOM 914 N ARG A 71 -2.891 -7.367 -8.613 1.00 0.39 N ATOM 915 CA ARG A 71 -1.797 -8.176 -8.057 1.00 0.42 C ATOM 916 C ARG A 71 -2.030 -8.521 -6.588 1.00 0.35 C ATOM 917 O ARG A 71 -2.898 -7.937 -5.942 1.00 0.54 O ATOM 918 CB ARG A 71 -0.470 -7.417 -8.249 1.00 0.71 C ATOM 919 CG ARG A 71 -0.478 -5.979 -7.691 1.00 0.92 C ATOM 920 CD ARG A 71 0.679 -5.111 -8.202 1.00 0.66 C ATOM 921 NE ARG A 71 0.498 -4.715 -9.614 1.00 0.78 N ATOM 922 CZ ARG A 71 1.180 -5.113 -10.677 1.00 1.23 C ATOM 923 NH1 ARG A 71 2.154 -5.973 -10.651 1.00 2.68 N ATOM 924 NH2 ARG A 71 0.902 -4.624 -11.843 1.00 1.13 N ATOM 0 H ARG A 71 -3.297 -6.754 -7.906 1.00 0.39 H new ATOM 0 HA ARG A 71 -1.756 -9.126 -8.591 1.00 0.42 H new ATOM 0 HB2 ARG A 71 0.330 -7.978 -7.765 1.00 0.71 H new ATOM 0 HB3 ARG A 71 -0.236 -7.381 -9.313 1.00 0.71 H new ATOM 0 HG2 ARG A 71 -1.422 -5.502 -7.955 1.00 0.92 H new ATOM 0 HG3 ARG A 71 -0.435 -6.021 -6.603 1.00 0.92 H new ATOM 0 HD2 ARG A 71 0.761 -4.217 -7.583 1.00 0.66 H new ATOM 0 HD3 ARG A 71 1.616 -5.659 -8.097 1.00 0.66 H new ATOM 0 HE ARG A 71 -0.251 -4.047 -9.794 1.00 0.78 H new ATOM 0 HH11 ARG A 71 2.441 -6.392 -9.766 1.00 2.68 H new ATOM 0 HH12 ARG A 71 2.631 -6.229 -11.515 1.00 2.68 H new ATOM 0 HH21 ARG A 71 0.158 -3.933 -11.942 1.00 1.13 H new ATOM 0 HH22 ARG A 71 1.427 -4.930 -12.663 1.00 1.13 H new ATOM 938 N GLN A 72 -1.244 -9.447 -6.060 1.00 0.34 N ATOM 939 CA GLN A 72 -1.223 -9.810 -4.641 1.00 0.37 C ATOM 940 C GLN A 72 -0.598 -8.712 -3.770 1.00 0.31 C ATOM 941 O GLN A 72 0.300 -7.970 -4.174 1.00 0.32 O ATOM 942 CB GLN A 72 -0.503 -11.154 -4.415 1.00 0.52 C ATOM 943 CG GLN A 72 -1.413 -12.390 -4.533 1.00 1.54 C ATOM 944 CD GLN A 72 -2.086 -12.748 -3.206 1.00 2.14 C ATOM 945 OE1 GLN A 72 -1.659 -13.636 -2.473 1.00 2.98 O ATOM 946 NE2 GLN A 72 -3.141 -12.067 -2.815 1.00 2.95 N ATOM 0 H GLN A 72 -0.582 -9.985 -6.619 1.00 0.34 H new ATOM 0 HA GLN A 72 -2.263 -9.920 -4.333 1.00 0.37 H new ATOM 0 HB2 GLN A 72 0.308 -11.244 -5.138 1.00 0.52 H new ATOM 0 HB3 GLN A 72 -0.047 -11.146 -3.425 1.00 0.52 H new ATOM 0 HG2 GLN A 72 -2.178 -12.204 -5.287 1.00 1.54 H new ATOM 0 HG3 GLN A 72 -0.824 -13.239 -4.879 1.00 1.54 H new ATOM 0 HE21 GLN A 72 -3.516 -11.324 -3.405 1.00 2.95 H new ATOM 0 HE22 GLN A 72 -3.584 -12.282 -1.922 1.00 2.95 H new ATOM 955 N ALA A 73 -1.093 -8.688 -2.537 1.00 0.34 N ATOM 956 CA ALA A 73 -0.715 -7.827 -1.419 1.00 0.33 C ATOM 957 C ALA A 73 -0.891 -8.616 -0.110 1.00 0.45 C ATOM 958 O ALA A 73 -1.963 -9.177 0.139 1.00 0.60 O ATOM 959 CB ALA A 73 -1.593 -6.569 -1.435 1.00 0.44 C ATOM 0 H ALA A 73 -1.839 -9.330 -2.269 1.00 0.34 H new ATOM 0 HA ALA A 73 0.326 -7.516 -1.502 1.00 0.33 H new ATOM 0 HB1 ALA A 73 -1.316 -5.922 -0.603 1.00 0.44 H new ATOM 0 HB2 ALA A 73 -1.447 -6.035 -2.374 1.00 0.44 H new ATOM 0 HB3 ALA A 73 -2.640 -6.855 -1.339 1.00 0.44 H new ATOM 965 N VAL A 74 0.161 -8.660 0.707 1.00 0.42 N ATOM 966 CA VAL A 74 0.281 -9.416 1.965 1.00 0.48 C ATOM 967 C VAL A 74 0.926 -8.513 3.002 1.00 0.45 C ATOM 968 O VAL A 74 1.985 -7.942 2.759 1.00 0.44 O ATOM 969 CB VAL A 74 1.162 -10.666 1.765 1.00 0.53 C ATOM 970 CG1 VAL A 74 1.579 -11.340 3.080 1.00 0.58 C ATOM 971 CG2 VAL A 74 0.438 -11.702 0.903 1.00 0.61 C ATOM 0 H VAL A 74 1.011 -8.136 0.499 1.00 0.42 H new ATOM 0 HA VAL A 74 -0.708 -9.738 2.291 1.00 0.48 H new ATOM 0 HB VAL A 74 2.065 -10.309 1.271 1.00 0.53 H new ATOM 0 HG11 VAL A 74 2.196 -12.212 2.862 1.00 0.58 H new ATOM 0 HG12 VAL A 74 2.148 -10.635 3.686 1.00 0.58 H new ATOM 0 HG13 VAL A 74 0.689 -11.653 3.627 1.00 0.58 H new ATOM 0 HG21 VAL A 74 1.075 -12.577 0.773 1.00 0.61 H new ATOM 0 HG22 VAL A 74 -0.490 -11.998 1.393 1.00 0.61 H new ATOM 0 HG23 VAL A 74 0.212 -11.270 -0.072 1.00 0.61 H new ATOM 981 N LEU A 75 0.321 -8.364 4.172 1.00 0.44 N ATOM 982 CA LEU A 75 0.881 -7.533 5.225 1.00 0.41 C ATOM 983 C LEU A 75 1.995 -8.257 5.976 1.00 0.43 C ATOM 984 O LEU A 75 1.896 -9.445 6.307 1.00 0.53 O ATOM 985 CB LEU A 75 -0.240 -7.029 6.120 1.00 0.45 C ATOM 986 CG LEU A 75 0.157 -5.924 7.124 1.00 0.46 C ATOM 987 CD1 LEU A 75 1.140 -4.873 6.626 1.00 1.13 C ATOM 988 CD2 LEU A 75 -1.049 -5.055 7.292 1.00 0.92 C ATOM 0 H LEU A 75 -0.563 -8.811 4.415 1.00 0.44 H new ATOM 0 HA LEU A 75 1.362 -6.658 4.788 1.00 0.41 H new ATOM 0 HB2 LEU A 75 -1.043 -6.650 5.488 1.00 0.45 H new ATOM 0 HB3 LEU A 75 -0.644 -7.874 6.677 1.00 0.45 H new ATOM 0 HG LEU A 75 0.567 -6.470 7.973 1.00 0.46 H new ATOM 0 HD11 LEU A 75 1.339 -4.155 7.421 1.00 1.13 H new ATOM 0 HD12 LEU A 75 2.072 -5.356 6.333 1.00 1.13 H new ATOM 0 HD13 LEU A 75 0.714 -4.355 5.767 1.00 1.13 H new ATOM 0 HD21 LEU A 75 -0.824 -4.253 7.995 1.00 0.92 H new ATOM 0 HD22 LEU A 75 -1.326 -4.627 6.329 1.00 0.92 H new ATOM 0 HD23 LEU A 75 -1.877 -5.652 7.675 1.00 0.92 H new ATOM 1000 N LYS A 76 3.049 -7.490 6.244 1.00 0.36 N ATOM 1001 CA LYS A 76 4.235 -7.910 7.000 1.00 0.39 C ATOM 1002 C LYS A 76 4.214 -7.399 8.443 1.00 0.42 C ATOM 1003 O LYS A 76 4.666 -8.096 9.350 1.00 0.50 O ATOM 1004 CB LYS A 76 5.508 -7.492 6.239 1.00 0.39 C ATOM 1005 CG LYS A 76 5.645 -8.097 4.826 1.00 0.40 C ATOM 1006 CD LYS A 76 5.540 -9.631 4.743 1.00 0.56 C ATOM 1007 CE LYS A 76 6.442 -10.395 5.722 1.00 1.52 C ATOM 1008 NZ LYS A 76 7.862 -10.413 5.312 1.00 1.84 N ATOM 0 H LYS A 76 3.106 -6.521 5.930 1.00 0.36 H new ATOM 0 HA LYS A 76 4.230 -8.997 7.081 1.00 0.39 H new ATOM 0 HB2 LYS A 76 5.525 -6.405 6.157 1.00 0.39 H new ATOM 0 HB3 LYS A 76 6.378 -7.781 6.829 1.00 0.39 H new ATOM 0 HG2 LYS A 76 4.874 -7.664 4.189 1.00 0.40 H new ATOM 0 HG3 LYS A 76 6.607 -7.794 4.413 1.00 0.40 H new ATOM 0 HD2 LYS A 76 4.505 -9.920 4.925 1.00 0.56 H new ATOM 0 HD3 LYS A 76 5.785 -9.943 3.728 1.00 0.56 H new ATOM 0 HE2 LYS A 76 6.361 -9.941 6.710 1.00 1.52 H new ATOM 0 HE3 LYS A 76 6.083 -11.420 5.812 1.00 1.52 H new ATOM 0 HZ1 LYS A 76 8.419 -10.943 6.012 1.00 1.84 H new ATOM 0 HZ2 LYS A 76 7.949 -10.871 4.382 1.00 1.84 H new ATOM 0 HZ3 LYS A 76 8.219 -9.438 5.252 1.00 1.84 H new ATOM 1022 N GLY A 77 3.644 -6.221 8.668 1.00 0.38 N ATOM 1023 CA GLY A 77 3.331 -5.637 9.967 1.00 0.34 C ATOM 1024 C GLY A 77 3.399 -4.113 9.914 1.00 0.37 C ATOM 1025 O GLY A 77 3.573 -3.525 8.845 1.00 0.68 O ATOM 0 H GLY A 77 3.371 -5.609 7.899 1.00 0.38 H new ATOM 0 HA2 GLY A 77 2.334 -5.949 10.279 1.00 0.34 H new ATOM 0 HA3 GLY A 77 4.031 -6.010 10.715 1.00 0.34 H new ATOM 1029 N MET A 78 3.285 -3.477 11.070 1.00 0.48 N ATOM 1030 CA MET A 78 3.307 -2.026 11.218 1.00 0.62 C ATOM 1031 C MET A 78 4.725 -1.498 11.468 1.00 0.74 C ATOM 1032 O MET A 78 5.442 -1.969 12.357 1.00 0.95 O ATOM 1033 CB MET A 78 2.292 -1.600 12.293 1.00 0.78 C ATOM 1034 CG MET A 78 0.903 -1.407 11.668 1.00 1.30 C ATOM 1035 SD MET A 78 0.191 -2.773 10.693 1.00 2.33 S ATOM 1036 CE MET A 78 -0.192 -3.960 12.003 1.00 1.49 C ATOM 0 H MET A 78 3.171 -3.968 11.957 1.00 0.48 H new ATOM 0 HA MET A 78 2.999 -1.565 10.280 1.00 0.62 H new ATOM 0 HB2 MET A 78 2.244 -2.356 13.077 1.00 0.78 H new ATOM 0 HB3 MET A 78 2.618 -0.673 12.764 1.00 0.78 H new ATOM 0 HG2 MET A 78 0.206 -1.176 12.474 1.00 1.30 H new ATOM 0 HG3 MET A 78 0.948 -0.529 11.024 1.00 1.30 H new ATOM 0 HE1 MET A 78 -0.636 -4.854 11.565 1.00 1.49 H new ATOM 0 HE2 MET A 78 0.724 -4.230 12.529 1.00 1.49 H new ATOM 0 HE3 MET A 78 -0.895 -3.512 12.705 1.00 1.49 H new