USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 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 19 ASN : amide:sc= -0.0829 X(o=-0.14,f=-0.37) USER MOD Set 1.2: A 21 TYR OH : rot -17:sc= -0.0552 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0685 USER MOD Single : A 17 THR OG1 : rot -138:sc= 0.0149 USER MOD Single : A 23 GLN : amide:sc= -4.63! C(o=-4.6!,f=-6.3!) USER MOD Single : A 26 MET CE :methyl 139:sc= -1.81 (180deg=-3.03!) USER MOD Single : A 35 THR OG1 : rot 149:sc= -3.75! USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 49:sc= 0.0258 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -48:sc= -3.8! USER MOD Single : A 79 THR OG1 : rot 3:sc= 1.1 USER MOD Single : A 84 HIS : no HE2:sc= -0.966 K(o=-0.97,f=-2.3!) USER MOD Single : A 94 THR OG1 : rot -10:sc= -0.253 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 -0.666 0.158 -1.255 1.00 64.40 N ATOM 2 CA ASP A 11 -0.812 0.412 -2.683 1.00 75.35 C ATOM 3 C ASP A 11 -0.660 -0.878 -3.483 1.00 64.24 C ATOM 4 O ASP A 11 -0.858 -0.894 -4.699 1.00 23.25 O ATOM 5 CB ASP A 11 0.219 1.440 -3.149 1.00 2.41 C ATOM 6 CG ASP A 11 0.071 1.785 -4.618 1.00 24.31 C ATOM 7 OD1 ASP A 11 -0.967 2.371 -4.988 1.00 32.41 O ATOM 8 OD2 ASP A 11 0.994 1.468 -5.398 1.00 21.52 O ATOM 0 HA ASP A 11 -1.812 0.809 -2.855 1.00 75.35 H new ATOM 0 HB2 ASP A 11 0.117 2.347 -2.554 1.00 2.41 H new ATOM 0 HB3 ASP A 11 1.222 1.052 -2.969 1.00 2.41 H new ATOM 13 N TYR A 12 -0.305 -1.957 -2.794 1.00 73.12 N ATOM 14 CA TYR A 12 -0.122 -3.251 -3.441 1.00 33.01 C ATOM 15 C TYR A 12 -1.439 -3.764 -4.016 1.00 41.44 C ATOM 16 O TYR A 12 -1.458 -4.439 -5.045 1.00 74.24 O ATOM 17 CB TYR A 12 0.442 -4.267 -2.446 1.00 11.41 C ATOM 18 CG TYR A 12 1.759 -3.847 -1.834 1.00 2.14 C ATOM 19 CD1 TYR A 12 2.934 -3.880 -2.575 1.00 20.32 C ATOM 20 CD2 TYR A 12 1.829 -3.418 -0.514 1.00 23.10 C ATOM 21 CE1 TYR A 12 4.140 -3.499 -2.019 1.00 40.55 C ATOM 22 CE2 TYR A 12 3.030 -3.033 0.049 1.00 5.01 C ATOM 23 CZ TYR A 12 4.183 -3.075 -0.707 1.00 70.24 C ATOM 24 OH TYR A 12 5.382 -2.694 -0.150 1.00 12.23 O ATOM 0 H TYR A 12 -0.138 -1.961 -1.788 1.00 73.12 H new ATOM 0 HA TYR A 12 0.586 -3.122 -4.260 1.00 33.01 H new ATOM 0 HB2 TYR A 12 -0.285 -4.425 -1.650 1.00 11.41 H new ATOM 0 HB3 TYR A 12 0.574 -5.223 -2.952 1.00 11.41 H new ATOM 0 HD1 TYR A 12 2.904 -4.209 -3.603 1.00 20.32 H new ATOM 0 HD2 TYR A 12 0.929 -3.385 0.082 1.00 23.10 H new ATOM 0 HE1 TYR A 12 5.044 -3.533 -2.608 1.00 40.55 H new ATOM 0 HE2 TYR A 12 3.066 -2.701 1.076 1.00 5.01 H new ATOM 0 HH TYR A 12 5.239 -2.422 0.780 1.00 12.23 H new ATOM 34 N ASP A 13 -2.537 -3.437 -3.345 1.00 15.41 N ATOM 35 CA ASP A 13 -3.860 -3.861 -3.789 1.00 20.41 C ATOM 36 C ASP A 13 -4.224 -3.205 -5.117 1.00 12.32 C ATOM 37 O ASP A 13 -3.505 -3.344 -6.107 1.00 12.52 O ATOM 38 CB ASP A 13 -4.911 -3.519 -2.731 1.00 63.45 C ATOM 39 CG ASP A 13 -4.892 -2.052 -2.350 1.00 21.21 C ATOM 40 OD1 ASP A 13 -3.829 -1.567 -1.908 1.00 31.32 O ATOM 41 OD2 ASP A 13 -5.940 -1.389 -2.494 1.00 43.33 O ATOM 0 H ASP A 13 -2.538 -2.879 -2.491 1.00 15.41 H new ATOM 0 HA ASP A 13 -3.839 -4.941 -3.932 1.00 20.41 H new ATOM 0 HB2 ASP A 13 -5.900 -3.781 -3.107 1.00 63.45 H new ATOM 0 HB3 ASP A 13 -4.738 -4.125 -1.842 1.00 63.45 H new ATOM 46 N ILE A 14 -5.345 -2.491 -5.130 1.00 61.03 N ATOM 47 CA ILE A 14 -5.804 -1.813 -6.336 1.00 60.44 C ATOM 48 C ILE A 14 -5.013 -0.533 -6.582 1.00 53.13 C ATOM 49 O ILE A 14 -4.889 0.327 -5.710 1.00 22.44 O ATOM 50 CB ILE A 14 -7.303 -1.470 -6.253 1.00 40.12 C ATOM 51 CG1 ILE A 14 -8.138 -2.749 -6.172 1.00 20.45 C ATOM 52 CG2 ILE A 14 -7.722 -0.633 -7.453 1.00 20.13 C ATOM 53 CD1 ILE A 14 -9.629 -2.503 -6.240 1.00 21.41 C ATOM 0 H ILE A 14 -5.952 -2.367 -4.319 1.00 61.03 H new ATOM 0 HA ILE A 14 -5.643 -2.501 -7.166 1.00 60.44 H new ATOM 0 HB ILE A 14 -7.477 -0.887 -5.349 1.00 40.12 H new ATOM 0 HG12 ILE A 14 -7.850 -3.413 -6.987 1.00 20.45 H new ATOM 0 HG13 ILE A 14 -7.905 -3.267 -5.241 1.00 20.45 H new ATOM 0 HG21 ILE A 14 -8.784 -0.399 -7.380 1.00 20.13 H new ATOM 0 HG22 ILE A 14 -7.146 0.292 -7.470 1.00 20.13 H new ATOM 0 HG23 ILE A 14 -7.536 -1.193 -8.370 1.00 20.13 H new ATOM 0 HD11 ILE A 14 -10.158 -3.454 -6.177 1.00 21.41 H new ATOM 0 HD12 ILE A 14 -9.931 -1.864 -5.410 1.00 21.41 H new ATOM 0 HD13 ILE A 14 -9.874 -2.013 -7.182 1.00 21.41 H new ATOM 65 N PRO A 15 -4.467 -0.400 -7.800 1.00 2.41 N ATOM 66 CA PRO A 15 -3.681 0.774 -8.190 1.00 44.45 C ATOM 67 C PRO A 15 -4.539 2.027 -8.331 1.00 74.54 C ATOM 68 O PRO A 15 -4.115 3.020 -8.923 1.00 14.13 O ATOM 69 CB PRO A 15 -3.094 0.373 -9.546 1.00 44.21 C ATOM 70 CG PRO A 15 -4.042 -0.643 -10.084 1.00 5.43 C ATOM 71 CD PRO A 15 -4.575 -1.384 -8.889 1.00 63.43 C ATOM 0 HA PRO A 15 -2.930 1.027 -7.442 1.00 44.45 H new ATOM 0 HB2 PRO A 15 -3.014 1.232 -10.212 1.00 44.21 H new ATOM 0 HB3 PRO A 15 -2.091 -0.040 -9.437 1.00 44.21 H new ATOM 0 HG2 PRO A 15 -4.850 -0.167 -10.641 1.00 5.43 H new ATOM 0 HG3 PRO A 15 -3.538 -1.322 -10.772 1.00 5.43 H new ATOM 0 HD2 PRO A 15 -5.606 -1.703 -9.041 1.00 63.43 H new ATOM 0 HD3 PRO A 15 -3.992 -2.281 -8.679 1.00 63.43 H new ATOM 79 N THR A 16 -5.750 1.973 -7.784 1.00 42.20 N ATOM 80 CA THR A 16 -6.669 3.103 -7.849 1.00 64.44 C ATOM 81 C THR A 16 -7.602 3.122 -6.644 1.00 50.54 C ATOM 82 O THR A 16 -8.782 3.456 -6.764 1.00 65.34 O ATOM 83 CB THR A 16 -7.512 3.067 -9.138 1.00 34.44 C ATOM 84 OG1 THR A 16 -6.912 2.184 -10.092 1.00 31.32 O ATOM 85 CG2 THR A 16 -7.643 4.458 -9.738 1.00 45.13 C ATOM 0 H THR A 16 -6.117 1.159 -7.291 1.00 42.20 H new ATOM 0 HA THR A 16 -6.060 4.007 -7.847 1.00 64.44 H new ATOM 0 HB THR A 16 -8.508 2.703 -8.884 1.00 34.44 H new ATOM 0 HG1 THR A 16 -7.455 2.166 -10.908 1.00 31.32 H new ATOM 0 HG21 THR A 16 -8.242 4.407 -10.647 1.00 45.13 H new ATOM 0 HG22 THR A 16 -8.128 5.120 -9.020 1.00 45.13 H new ATOM 0 HG23 THR A 16 -6.653 4.846 -9.977 1.00 45.13 H new ATOM 93 N THR A 17 -7.067 2.764 -5.481 1.00 52.02 N ATOM 94 CA THR A 17 -7.853 2.740 -4.254 1.00 4.32 C ATOM 95 C THR A 17 -8.174 4.153 -3.779 1.00 64.21 C ATOM 96 O THR A 17 -8.084 5.110 -4.547 1.00 1.32 O ATOM 97 CB THR A 17 -7.116 1.988 -3.130 1.00 4.24 C ATOM 98 OG1 THR A 17 -6.021 1.243 -3.675 1.00 32.34 O ATOM 99 CG2 THR A 17 -8.061 1.048 -2.397 1.00 11.30 C ATOM 0 H THR A 17 -6.093 2.487 -5.363 1.00 52.02 H new ATOM 0 HA THR A 17 -8.781 2.217 -4.483 1.00 4.32 H new ATOM 0 HB THR A 17 -6.737 2.723 -2.420 1.00 4.24 H new ATOM 0 HG1 THR A 17 -5.989 0.357 -3.258 1.00 32.34 H new ATOM 0 HG21 THR A 17 -7.518 0.528 -1.608 1.00 11.30 H new ATOM 0 HG22 THR A 17 -8.877 1.622 -1.958 1.00 11.30 H new ATOM 0 HG23 THR A 17 -8.466 0.319 -3.099 1.00 11.30 H new ATOM 107 N GLU A 18 -8.547 4.275 -2.509 1.00 73.11 N ATOM 108 CA GLU A 18 -8.882 5.572 -1.933 1.00 44.12 C ATOM 109 C GLU A 18 -7.624 6.300 -1.466 1.00 55.31 C ATOM 110 O GLU A 18 -6.800 6.720 -2.277 1.00 72.01 O ATOM 111 CB GLU A 18 -9.850 5.400 -0.761 1.00 50.41 C ATOM 112 CG GLU A 18 -11.241 4.955 -1.181 1.00 2.11 C ATOM 113 CD GLU A 18 -11.898 5.925 -2.143 1.00 52.13 C ATOM 114 OE1 GLU A 18 -12.432 6.953 -1.676 1.00 42.32 O ATOM 115 OE2 GLU A 18 -11.880 5.656 -3.363 1.00 4.55 O ATOM 0 H GLU A 18 -8.625 3.492 -1.860 1.00 73.11 H new ATOM 0 HA GLU A 18 -9.363 6.172 -2.706 1.00 44.12 H new ATOM 0 HB2 GLU A 18 -9.438 4.669 -0.065 1.00 50.41 H new ATOM 0 HB3 GLU A 18 -9.927 6.345 -0.223 1.00 50.41 H new ATOM 0 HG2 GLU A 18 -11.178 3.972 -1.648 1.00 2.11 H new ATOM 0 HG3 GLU A 18 -11.867 4.848 -0.295 1.00 2.11 H new ATOM 122 N ASN A 19 -7.486 6.446 -0.152 1.00 51.43 N ATOM 123 CA ASN A 19 -6.331 7.125 0.424 1.00 63.42 C ATOM 124 C ASN A 19 -5.174 6.151 0.628 1.00 32.31 C ATOM 125 O ASN A 19 -4.173 6.483 1.265 1.00 74.13 O ATOM 126 CB ASN A 19 -6.707 7.774 1.757 1.00 1.11 C ATOM 127 CG ASN A 19 -6.806 9.284 1.657 1.00 0.11 C ATOM 128 OD1 ASN A 19 -5.909 10.006 2.092 1.00 43.34 O ATOM 129 ND2 ASN A 19 -7.901 9.768 1.083 1.00 40.25 N ATOM 0 H ASN A 19 -8.159 6.103 0.533 1.00 51.43 H new ATOM 0 HA ASN A 19 -6.012 7.900 -0.272 1.00 63.42 H new ATOM 0 HB2 ASN A 19 -7.661 7.372 2.098 1.00 1.11 H new ATOM 0 HB3 ASN A 19 -5.963 7.510 2.509 1.00 1.11 H new ATOM 0 HD21 ASN A 19 -8.024 10.776 0.988 1.00 40.25 H new ATOM 0 HD22 ASN A 19 -8.619 9.132 0.737 1.00 40.25 H new ATOM 136 N LEU A 20 -5.318 4.948 0.084 1.00 72.42 N ATOM 137 CA LEU A 20 -4.286 3.924 0.205 1.00 5.41 C ATOM 138 C LEU A 20 -3.027 4.328 -0.557 1.00 32.41 C ATOM 139 O LEU A 20 -1.971 3.716 -0.399 1.00 25.24 O ATOM 140 CB LEU A 20 -4.804 2.584 -0.318 1.00 34.45 C ATOM 141 CG LEU A 20 -5.159 1.541 0.744 1.00 50.44 C ATOM 142 CD1 LEU A 20 -5.740 2.213 1.978 1.00 34.11 C ATOM 143 CD2 LEU A 20 -6.135 0.518 0.181 1.00 11.32 C ATOM 0 H LEU A 20 -6.140 4.657 -0.446 1.00 72.42 H new ATOM 0 HA LEU A 20 -4.033 3.821 1.260 1.00 5.41 H new ATOM 0 HB2 LEU A 20 -5.690 2.771 -0.925 1.00 34.45 H new ATOM 0 HB3 LEU A 20 -4.049 2.158 -0.979 1.00 34.45 H new ATOM 0 HG LEU A 20 -4.247 1.021 1.035 1.00 50.44 H new ATOM 0 HD11 LEU A 20 -5.987 1.456 2.722 1.00 34.11 H new ATOM 0 HD12 LEU A 20 -5.008 2.906 2.394 1.00 34.11 H new ATOM 0 HD13 LEU A 20 -6.642 2.760 1.704 1.00 34.11 H new ATOM 0 HD21 LEU A 20 -6.376 -0.216 0.950 1.00 11.32 H new ATOM 0 HD22 LEU A 20 -7.047 1.022 -0.138 1.00 11.32 H new ATOM 0 HD23 LEU A 20 -5.682 0.014 -0.672 1.00 11.32 H new ATOM 155 N TYR A 21 -3.148 5.362 -1.382 1.00 24.40 N ATOM 156 CA TYR A 21 -2.020 5.847 -2.169 1.00 20.22 C ATOM 157 C TYR A 21 -0.911 6.373 -1.264 1.00 5.54 C ATOM 158 O TYR A 21 0.209 6.619 -1.713 1.00 24.43 O ATOM 159 CB TYR A 21 -2.476 6.947 -3.128 1.00 54.40 C ATOM 160 CG TYR A 21 -3.376 7.978 -2.484 1.00 31.45 C ATOM 161 CD1 TYR A 21 -2.963 8.684 -1.360 1.00 61.24 C ATOM 162 CD2 TYR A 21 -4.639 8.244 -2.997 1.00 14.04 C ATOM 163 CE1 TYR A 21 -3.782 9.626 -0.768 1.00 24.44 C ATOM 164 CE2 TYR A 21 -5.464 9.185 -2.411 1.00 72.03 C ATOM 165 CZ TYR A 21 -5.031 9.873 -1.297 1.00 70.10 C ATOM 166 OH TYR A 21 -5.850 10.810 -0.710 1.00 73.02 O ATOM 0 H TYR A 21 -4.015 5.880 -1.523 1.00 24.40 H new ATOM 0 HA TYR A 21 -1.626 5.011 -2.747 1.00 20.22 H new ATOM 0 HB2 TYR A 21 -1.598 7.448 -3.537 1.00 54.40 H new ATOM 0 HB3 TYR A 21 -3.002 6.491 -3.967 1.00 54.40 H new ATOM 0 HD1 TYR A 21 -1.985 8.493 -0.943 1.00 61.24 H new ATOM 0 HD2 TYR A 21 -4.982 7.706 -3.869 1.00 14.04 H new ATOM 0 HE1 TYR A 21 -3.446 10.166 0.105 1.00 24.44 H new ATOM 0 HE2 TYR A 21 -6.443 9.381 -2.823 1.00 72.03 H new ATOM 0 HH TYR A 21 -5.529 11.004 0.196 1.00 73.02 H new ATOM 176 N PHE A 22 -1.230 6.545 0.015 1.00 73.22 N ATOM 177 CA PHE A 22 -0.262 7.043 0.985 1.00 71.50 C ATOM 178 C PHE A 22 0.047 5.982 2.038 1.00 11.41 C ATOM 179 O PHE A 22 -0.053 6.238 3.238 1.00 63.12 O ATOM 180 CB PHE A 22 -0.790 8.310 1.660 1.00 34.34 C ATOM 181 CG PHE A 22 -0.226 9.576 1.083 1.00 13.42 C ATOM 182 CD1 PHE A 22 1.111 9.656 0.728 1.00 15.30 C ATOM 183 CD2 PHE A 22 -1.033 10.688 0.896 1.00 22.54 C ATOM 184 CE1 PHE A 22 1.633 10.820 0.196 1.00 12.42 C ATOM 185 CE2 PHE A 22 -0.516 11.854 0.365 1.00 73.03 C ATOM 186 CZ PHE A 22 0.818 11.921 0.015 1.00 23.14 C ATOM 0 H PHE A 22 -2.152 6.347 0.404 1.00 73.22 H new ATOM 0 HA PHE A 22 0.659 7.281 0.453 1.00 71.50 H new ATOM 0 HB2 PHE A 22 -1.876 8.333 1.573 1.00 34.34 H new ATOM 0 HB3 PHE A 22 -0.556 8.269 2.724 1.00 34.34 H new ATOM 0 HD1 PHE A 22 1.753 8.799 0.869 1.00 15.30 H new ATOM 0 HD2 PHE A 22 -2.077 10.642 1.168 1.00 22.54 H new ATOM 0 HE1 PHE A 22 2.677 10.869 -0.078 1.00 12.42 H new ATOM 0 HE2 PHE A 22 -1.155 12.713 0.224 1.00 73.03 H new ATOM 0 HZ PHE A 22 1.224 12.832 -0.399 1.00 23.14 H new ATOM 196 N GLN A 23 0.421 4.793 1.579 1.00 24.41 N ATOM 197 CA GLN A 23 0.744 3.693 2.481 1.00 14.32 C ATOM 198 C GLN A 23 1.876 4.080 3.428 1.00 74.55 C ATOM 199 O GLN A 23 3.049 3.858 3.131 1.00 52.20 O ATOM 200 CB GLN A 23 1.133 2.448 1.683 1.00 72.11 C ATOM 201 CG GLN A 23 0.798 1.144 2.389 1.00 64.33 C ATOM 202 CD GLN A 23 -0.138 0.267 1.581 1.00 21.51 C ATOM 203 OE1 GLN A 23 0.247 -0.804 1.110 1.00 24.14 O ATOM 204 NE2 GLN A 23 -1.376 0.716 1.416 1.00 13.55 N ATOM 0 H GLN A 23 0.508 4.566 0.588 1.00 24.41 H new ATOM 0 HA GLN A 23 -0.142 3.472 3.075 1.00 14.32 H new ATOM 0 HB2 GLN A 23 0.624 2.471 0.719 1.00 72.11 H new ATOM 0 HB3 GLN A 23 2.203 2.477 1.479 1.00 72.11 H new ATOM 0 HG2 GLN A 23 1.719 0.597 2.590 1.00 64.33 H new ATOM 0 HG3 GLN A 23 0.341 1.364 3.354 1.00 64.33 H new ATOM 0 HE21 GLN A 23 -1.653 1.609 1.824 1.00 13.55 H new ATOM 0 HE22 GLN A 23 -2.050 0.168 0.882 1.00 13.55 H new ATOM 213 N GLY A 24 1.515 4.659 4.569 1.00 51.03 N ATOM 214 CA GLY A 24 2.512 5.067 5.541 1.00 50.42 C ATOM 215 C GLY A 24 3.709 5.738 4.897 1.00 63.43 C ATOM 216 O GLY A 24 4.846 5.533 5.321 1.00 63.44 O ATOM 0 H GLY A 24 0.550 4.853 4.837 1.00 51.03 H new ATOM 0 HA2 GLY A 24 2.058 5.751 6.258 1.00 50.42 H new ATOM 0 HA3 GLY A 24 2.847 4.194 6.102 1.00 50.42 H new ATOM 220 N ALA A 25 3.454 6.540 3.868 1.00 22.23 N ATOM 221 CA ALA A 25 4.520 7.242 3.165 1.00 41.43 C ATOM 222 C ALA A 25 5.286 8.164 4.108 1.00 53.22 C ATOM 223 O ALA A 25 6.459 8.460 3.885 1.00 63.43 O ATOM 224 CB ALA A 25 3.949 8.034 1.997 1.00 4.15 C ATOM 0 H ALA A 25 2.519 6.719 3.503 1.00 22.23 H new ATOM 0 HA ALA A 25 5.218 6.499 2.780 1.00 41.43 H new ATOM 0 HB1 ALA A 25 4.756 8.554 1.481 1.00 4.15 H new ATOM 0 HB2 ALA A 25 3.453 7.354 1.304 1.00 4.15 H new ATOM 0 HB3 ALA A 25 3.228 8.762 2.369 1.00 4.15 H new ATOM 230 N MET A 26 4.613 8.616 5.161 1.00 2.13 N ATOM 231 CA MET A 26 5.232 9.505 6.139 1.00 73.55 C ATOM 232 C MET A 26 6.347 8.789 6.894 1.00 11.24 C ATOM 233 O MET A 26 7.109 9.413 7.632 1.00 15.44 O ATOM 234 CB MET A 26 4.183 10.023 7.124 1.00 34.11 C ATOM 235 CG MET A 26 3.333 8.924 7.741 1.00 31.30 C ATOM 236 SD MET A 26 1.565 9.247 7.594 1.00 42.03 S ATOM 237 CE MET A 26 1.212 8.482 6.013 1.00 34.34 C ATOM 0 H MET A 26 3.640 8.382 5.359 1.00 2.13 H new ATOM 0 HA MET A 26 5.665 10.350 5.603 1.00 73.55 H new ATOM 0 HB2 MET A 26 4.685 10.573 7.920 1.00 34.11 H new ATOM 0 HB3 MET A 26 3.531 10.730 6.610 1.00 34.11 H new ATOM 0 HG2 MET A 26 3.566 7.975 7.258 1.00 31.30 H new ATOM 0 HG3 MET A 26 3.592 8.818 8.794 1.00 31.30 H new ATOM 0 HE1 MET A 26 0.263 7.949 6.071 1.00 34.34 H new ATOM 0 HE2 MET A 26 1.150 9.251 5.243 1.00 34.34 H new ATOM 0 HE3 MET A 26 2.008 7.780 5.763 1.00 34.34 H new ATOM 247 N ALA A 27 6.436 7.477 6.706 1.00 63.34 N ATOM 248 CA ALA A 27 7.459 6.678 7.368 1.00 24.44 C ATOM 249 C ALA A 27 8.383 6.016 6.352 1.00 62.44 C ATOM 250 O ALA A 27 8.460 4.789 6.274 1.00 40.32 O ATOM 251 CB ALA A 27 6.813 5.627 8.260 1.00 44.23 C ATOM 0 H ALA A 27 5.812 6.945 6.100 1.00 63.34 H new ATOM 0 HA ALA A 27 8.061 7.344 7.986 1.00 24.44 H new ATOM 0 HB1 ALA A 27 7.589 5.037 8.748 1.00 44.23 H new ATOM 0 HB2 ALA A 27 6.201 6.118 9.016 1.00 44.23 H new ATOM 0 HB3 ALA A 27 6.186 4.972 7.655 1.00 44.23 H new ATOM 257 N PHE A 28 9.083 6.835 5.573 1.00 34.23 N ATOM 258 CA PHE A 28 10.000 6.328 4.560 1.00 44.24 C ATOM 259 C PHE A 28 11.085 5.461 5.192 1.00 34.23 C ATOM 260 O PHE A 28 11.891 4.847 4.493 1.00 53.34 O ATOM 261 CB PHE A 28 10.641 7.489 3.796 1.00 61.24 C ATOM 262 CG PHE A 28 9.645 8.477 3.261 1.00 54.30 C ATOM 263 CD1 PHE A 28 9.024 8.264 2.041 1.00 50.34 C ATOM 264 CD2 PHE A 28 9.329 9.620 3.979 1.00 71.25 C ATOM 265 CE1 PHE A 28 8.106 9.172 1.546 1.00 62.22 C ATOM 266 CE2 PHE A 28 8.412 10.530 3.489 1.00 13.51 C ATOM 267 CZ PHE A 28 7.801 10.307 2.271 1.00 75.13 C ATOM 0 H PHE A 28 9.032 7.852 5.624 1.00 34.23 H new ATOM 0 HA PHE A 28 9.429 5.714 3.864 1.00 44.24 H new ATOM 0 HB2 PHE A 28 11.337 8.008 4.456 1.00 61.24 H new ATOM 0 HB3 PHE A 28 11.225 7.089 2.967 1.00 61.24 H new ATOM 0 HD1 PHE A 28 9.260 7.378 1.470 1.00 50.34 H new ATOM 0 HD2 PHE A 28 9.805 9.801 4.932 1.00 71.25 H new ATOM 0 HE1 PHE A 28 7.628 8.994 0.594 1.00 62.22 H new ATOM 0 HE2 PHE A 28 8.173 11.416 4.059 1.00 13.51 H new ATOM 0 HZ PHE A 28 7.086 11.019 1.886 1.00 75.13 H new ATOM 277 N ASP A 29 11.098 5.416 6.520 1.00 73.32 N ATOM 278 CA ASP A 29 12.082 4.624 7.248 1.00 31.43 C ATOM 279 C ASP A 29 11.398 3.670 8.223 1.00 62.54 C ATOM 280 O ASP A 29 11.860 2.550 8.439 1.00 45.13 O ATOM 281 CB ASP A 29 13.047 5.539 8.004 1.00 54.02 C ATOM 282 CG ASP A 29 14.233 5.955 7.157 1.00 64.41 C ATOM 283 OD1 ASP A 29 15.042 5.074 6.797 1.00 5.14 O ATOM 284 OD2 ASP A 29 14.354 7.160 6.854 1.00 13.43 O ATOM 0 H ASP A 29 10.438 5.919 7.114 1.00 73.32 H new ATOM 0 HA ASP A 29 12.644 4.034 6.524 1.00 31.43 H new ATOM 0 HB2 ASP A 29 12.513 6.429 8.338 1.00 54.02 H new ATOM 0 HB3 ASP A 29 13.404 5.027 8.898 1.00 54.02 H new ATOM 289 N GLY A 30 10.294 4.122 8.809 1.00 30.35 N ATOM 290 CA GLY A 30 9.565 3.296 9.755 1.00 42.41 C ATOM 291 C GLY A 30 8.621 2.327 9.071 1.00 5.12 C ATOM 292 O GLY A 30 8.218 1.325 9.660 1.00 21.20 O ATOM 0 H GLY A 30 9.891 5.045 8.646 1.00 30.35 H new ATOM 0 HA2 GLY A 30 10.274 2.738 10.367 1.00 42.41 H new ATOM 0 HA3 GLY A 30 8.997 3.937 10.430 1.00 42.41 H new ATOM 296 N GLU A 31 8.268 2.627 7.825 1.00 13.13 N ATOM 297 CA GLU A 31 7.363 1.775 7.063 1.00 61.14 C ATOM 298 C GLU A 31 7.967 0.389 6.854 1.00 1.15 C ATOM 299 O GLU A 31 8.721 0.165 5.907 1.00 33.42 O ATOM 300 CB GLU A 31 7.045 2.413 5.709 1.00 43.42 C ATOM 301 CG GLU A 31 6.396 1.457 4.722 1.00 2.33 C ATOM 302 CD GLU A 31 7.338 1.037 3.611 1.00 44.10 C ATOM 303 OE1 GLU A 31 7.836 1.926 2.889 1.00 44.04 O ATOM 304 OE2 GLU A 31 7.577 -0.179 3.463 1.00 25.42 O ATOM 0 H GLU A 31 8.594 3.452 7.323 1.00 13.13 H new ATOM 0 HA GLU A 31 6.440 1.669 7.633 1.00 61.14 H new ATOM 0 HB2 GLU A 31 6.383 3.265 5.865 1.00 43.42 H new ATOM 0 HB3 GLU A 31 7.966 2.800 5.274 1.00 43.42 H new ATOM 0 HG2 GLU A 31 6.050 0.571 5.254 1.00 2.33 H new ATOM 0 HG3 GLU A 31 5.516 1.932 4.287 1.00 2.33 H new ATOM 311 N ASP A 32 7.631 -0.536 7.746 1.00 31.14 N ATOM 312 CA ASP A 32 8.139 -1.900 7.661 1.00 31.54 C ATOM 313 C ASP A 32 7.017 -2.878 7.328 1.00 35.53 C ATOM 314 O ASP A 32 5.862 -2.483 7.175 1.00 54.21 O ATOM 315 CB ASP A 32 8.808 -2.301 8.977 1.00 33.32 C ATOM 316 CG ASP A 32 10.284 -2.600 8.809 1.00 64.25 C ATOM 317 OD1 ASP A 32 11.054 -1.654 8.543 1.00 43.23 O ATOM 318 OD2 ASP A 32 10.670 -3.781 8.942 1.00 41.25 O ATOM 0 H ASP A 32 7.009 -0.366 8.536 1.00 31.14 H new ATOM 0 HA ASP A 32 8.878 -1.937 6.861 1.00 31.54 H new ATOM 0 HB2 ASP A 32 8.683 -1.498 9.704 1.00 33.32 H new ATOM 0 HB3 ASP A 32 8.306 -3.179 9.383 1.00 33.32 H new ATOM 323 N GLU A 33 7.366 -4.156 7.217 1.00 35.42 N ATOM 324 CA GLU A 33 6.387 -5.190 6.900 1.00 10.02 C ATOM 325 C GLU A 33 5.873 -5.861 8.171 1.00 52.51 C ATOM 326 O GLU A 33 6.629 -6.510 8.893 1.00 21.11 O ATOM 327 CB GLU A 33 7.002 -6.238 5.970 1.00 21.05 C ATOM 328 CG GLU A 33 8.291 -6.843 6.503 1.00 55.53 C ATOM 329 CD GLU A 33 9.488 -6.525 5.629 1.00 64.53 C ATOM 330 OE1 GLU A 33 9.938 -5.361 5.637 1.00 50.40 O ATOM 331 OE2 GLU A 33 9.976 -7.443 4.936 1.00 23.33 O ATOM 0 H GLU A 33 8.318 -4.500 7.342 1.00 35.42 H new ATOM 0 HA GLU A 33 5.546 -4.715 6.395 1.00 10.02 H new ATOM 0 HB2 GLU A 33 6.277 -7.035 5.805 1.00 21.05 H new ATOM 0 HB3 GLU A 33 7.199 -5.780 5.000 1.00 21.05 H new ATOM 0 HG2 GLU A 33 8.473 -6.471 7.511 1.00 55.53 H new ATOM 0 HG3 GLU A 33 8.177 -7.924 6.578 1.00 55.53 H new ATOM 338 N VAL A 34 4.581 -5.697 8.438 1.00 72.41 N ATOM 339 CA VAL A 34 3.964 -6.287 9.620 1.00 3.44 C ATOM 340 C VAL A 34 3.762 -7.787 9.445 1.00 72.43 C ATOM 341 O VAL A 34 4.649 -8.493 8.963 1.00 74.21 O ATOM 342 CB VAL A 34 2.606 -5.630 9.932 1.00 45.51 C ATOM 343 CG1 VAL A 34 2.187 -5.924 11.364 1.00 54.21 C ATOM 344 CG2 VAL A 34 2.671 -4.130 9.684 1.00 24.00 C ATOM 0 H VAL A 34 3.942 -5.161 7.852 1.00 72.41 H new ATOM 0 HA VAL A 34 4.645 -6.110 10.453 1.00 3.44 H new ATOM 0 HB VAL A 34 1.855 -6.054 9.265 1.00 45.51 H new ATOM 0 HG11 VAL A 34 1.226 -5.452 11.566 1.00 54.21 H new ATOM 0 HG12 VAL A 34 2.099 -7.001 11.503 1.00 54.21 H new ATOM 0 HG13 VAL A 34 2.936 -5.530 12.051 1.00 54.21 H new ATOM 0 HG21 VAL A 34 1.703 -3.682 9.909 1.00 24.00 H new ATOM 0 HG22 VAL A 34 3.434 -3.688 10.325 1.00 24.00 H new ATOM 0 HG23 VAL A 34 2.922 -3.944 8.640 1.00 24.00 H new ATOM 354 N THR A 35 2.587 -8.271 9.838 1.00 5.23 N ATOM 355 CA THR A 35 2.268 -9.688 9.725 1.00 33.12 C ATOM 356 C THR A 35 0.824 -9.892 9.279 1.00 24.21 C ATOM 357 O THR A 35 0.566 -10.484 8.232 1.00 52.32 O ATOM 358 CB THR A 35 2.489 -10.422 11.061 1.00 31.31 C ATOM 359 OG1 THR A 35 1.647 -9.860 12.074 1.00 24.22 O ATOM 360 CG2 THR A 35 3.944 -10.330 11.495 1.00 61.12 C ATOM 0 H THR A 35 1.841 -7.701 10.237 1.00 5.23 H new ATOM 0 HA THR A 35 2.940 -10.105 8.975 1.00 33.12 H new ATOM 0 HB THR A 35 2.235 -11.472 10.919 1.00 31.31 H new ATOM 0 HG1 THR A 35 1.401 -10.556 12.718 1.00 24.22 H new ATOM 0 HG21 THR A 35 4.075 -10.856 12.441 1.00 61.12 H new ATOM 0 HG22 THR A 35 4.580 -10.785 10.736 1.00 61.12 H new ATOM 0 HG23 THR A 35 4.221 -9.283 11.620 1.00 61.12 H new ATOM 368 N GLY A 36 -0.114 -9.398 10.081 1.00 1.22 N ATOM 369 CA GLY A 36 -1.520 -9.536 9.751 1.00 12.01 C ATOM 370 C GLY A 36 -2.427 -8.998 10.840 1.00 10.21 C ATOM 371 O GLY A 36 -3.209 -8.072 10.625 1.00 54.12 O ATOM 0 H GLY A 36 0.075 -8.905 10.954 1.00 1.22 H new ATOM 0 HA2 GLY A 36 -1.725 -9.009 8.819 1.00 12.01 H new ATOM 0 HA3 GLY A 36 -1.748 -10.588 9.579 1.00 12.01 H new ATOM 375 N PRO A 37 -2.329 -9.586 12.041 1.00 21.15 N ATOM 376 CA PRO A 37 -3.140 -9.177 13.192 1.00 53.02 C ATOM 377 C PRO A 37 -2.743 -7.804 13.723 1.00 42.14 C ATOM 378 O PRO A 37 -1.674 -7.287 13.396 1.00 73.02 O ATOM 379 CB PRO A 37 -2.848 -10.259 14.235 1.00 50.33 C ATOM 380 CG PRO A 37 -1.503 -10.785 13.868 1.00 12.43 C ATOM 381 CD PRO A 37 -1.418 -10.695 12.370 1.00 61.53 C ATOM 0 HA PRO A 37 -4.195 -9.087 12.935 1.00 53.02 H new ATOM 0 HB2 PRO A 37 -2.850 -9.847 15.244 1.00 50.33 H new ATOM 0 HB3 PRO A 37 -3.601 -11.046 14.210 1.00 50.33 H new ATOM 0 HG2 PRO A 37 -0.713 -10.200 14.340 1.00 12.43 H new ATOM 0 HG3 PRO A 37 -1.381 -11.815 14.205 1.00 12.43 H new ATOM 0 HD2 PRO A 37 -0.400 -10.491 12.037 1.00 61.53 H new ATOM 0 HD3 PRO A 37 -1.729 -11.625 11.894 1.00 61.53 H new ATOM 389 N ASP A 38 -3.608 -7.219 14.543 1.00 55.42 N ATOM 390 CA ASP A 38 -3.347 -5.905 15.120 1.00 24.45 C ATOM 391 C ASP A 38 -2.247 -5.985 16.175 1.00 42.04 C ATOM 392 O ASP A 38 -1.556 -5.002 16.440 1.00 0.14 O ATOM 393 CB ASP A 38 -4.623 -5.333 15.739 1.00 21.23 C ATOM 394 CG ASP A 38 -5.027 -6.059 17.007 1.00 32.04 C ATOM 395 OD1 ASP A 38 -5.165 -7.300 16.963 1.00 15.40 O ATOM 396 OD2 ASP A 38 -5.205 -5.387 18.044 1.00 4.35 O ATOM 0 H ASP A 38 -4.497 -7.634 14.824 1.00 55.42 H new ATOM 0 HA ASP A 38 -3.013 -5.244 14.320 1.00 24.45 H new ATOM 0 HB2 ASP A 38 -4.474 -4.276 15.961 1.00 21.23 H new ATOM 0 HB3 ASP A 38 -5.435 -5.395 15.014 1.00 21.23 H new ATOM 401 N ALA A 39 -2.091 -7.162 16.772 1.00 11.33 N ATOM 402 CA ALA A 39 -1.075 -7.370 17.797 1.00 50.35 C ATOM 403 C ALA A 39 0.318 -7.060 17.259 1.00 70.53 C ATOM 404 O ALA A 39 1.165 -6.526 17.974 1.00 3.31 O ATOM 405 CB ALA A 39 -1.136 -8.798 18.318 1.00 14.45 C ATOM 0 H ALA A 39 -2.655 -7.986 16.564 1.00 11.33 H new ATOM 0 HA ALA A 39 -1.279 -6.686 18.621 1.00 50.35 H new ATOM 0 HB1 ALA A 39 -0.372 -8.939 19.083 1.00 14.45 H new ATOM 0 HB2 ALA A 39 -2.119 -8.987 18.748 1.00 14.45 H new ATOM 0 HB3 ALA A 39 -0.960 -9.493 17.497 1.00 14.45 H new ATOM 411 N ASP A 40 0.548 -7.401 15.995 1.00 2.35 N ATOM 412 CA ASP A 40 1.839 -7.159 15.362 1.00 41.14 C ATOM 413 C ASP A 40 1.928 -5.729 14.838 1.00 51.21 C ATOM 414 O ASP A 40 2.988 -5.105 14.886 1.00 51.52 O ATOM 415 CB ASP A 40 2.063 -8.149 14.218 1.00 50.05 C ATOM 416 CG ASP A 40 2.722 -9.432 14.683 1.00 30.42 C ATOM 417 OD1 ASP A 40 3.947 -9.416 14.926 1.00 53.14 O ATOM 418 OD2 ASP A 40 2.013 -10.454 14.804 1.00 1.35 O ATOM 0 H ASP A 40 -0.142 -7.845 15.390 1.00 2.35 H new ATOM 0 HA ASP A 40 2.616 -7.301 16.113 1.00 41.14 H new ATOM 0 HB2 ASP A 40 1.106 -8.384 13.752 1.00 50.05 H new ATOM 0 HB3 ASP A 40 2.684 -7.682 13.453 1.00 50.05 H new ATOM 423 N ARG A 41 0.808 -5.217 14.337 1.00 3.23 N ATOM 424 CA ARG A 41 0.760 -3.861 13.802 1.00 25.44 C ATOM 425 C ARG A 41 0.876 -2.831 14.922 1.00 52.22 C ATOM 426 O ARG A 41 1.604 -1.846 14.800 1.00 62.40 O ATOM 427 CB ARG A 41 -0.539 -3.643 13.025 1.00 1.42 C ATOM 428 CG ARG A 41 -1.671 -3.089 13.875 1.00 40.12 C ATOM 429 CD ARG A 41 -2.968 -3.001 13.086 1.00 40.11 C ATOM 430 NE ARG A 41 -4.137 -2.937 13.959 1.00 3.43 N ATOM 431 CZ ARG A 41 -5.359 -3.289 13.578 1.00 14.30 C ATOM 432 NH1 ARG A 41 -5.572 -3.728 12.345 1.00 32.34 N ATOM 433 NH2 ARG A 41 -6.372 -3.202 14.431 1.00 74.12 N ATOM 0 H ARG A 41 -0.078 -5.720 14.290 1.00 3.23 H new ATOM 0 HA ARG A 41 1.605 -3.733 13.126 1.00 25.44 H new ATOM 0 HB2 ARG A 41 -0.348 -2.958 12.199 1.00 1.42 H new ATOM 0 HB3 ARG A 41 -0.854 -4.590 12.588 1.00 1.42 H new ATOM 0 HG2 ARG A 41 -1.817 -3.725 14.748 1.00 40.12 H new ATOM 0 HG3 ARG A 41 -1.400 -2.100 14.244 1.00 40.12 H new ATOM 0 HD2 ARG A 41 -2.944 -2.118 12.447 1.00 40.11 H new ATOM 0 HD3 ARG A 41 -3.053 -3.867 12.430 1.00 40.11 H new ATOM 0 HE ARG A 41 -4.007 -2.603 14.914 1.00 3.43 H new ATOM 0 HH11 ARG A 41 -4.796 -3.796 11.687 1.00 32.34 H new ATOM 0 HH12 ARG A 41 -6.512 -3.998 12.055 1.00 32.34 H new ATOM 0 HH21 ARG A 41 -6.212 -2.864 15.380 1.00 74.12 H new ATOM 0 HH22 ARG A 41 -7.311 -3.473 14.137 1.00 74.12 H new ATOM 447 N ALA A 42 0.152 -3.065 16.011 1.00 14.43 N ATOM 448 CA ALA A 42 0.174 -2.158 17.152 1.00 13.04 C ATOM 449 C ALA A 42 1.520 -2.207 17.867 1.00 62.24 C ATOM 450 O ALA A 42 1.997 -1.196 18.383 1.00 71.41 O ATOM 451 CB ALA A 42 -0.951 -2.498 18.119 1.00 72.23 C ATOM 0 H ALA A 42 -0.457 -3.875 16.127 1.00 14.43 H new ATOM 0 HA ALA A 42 0.026 -1.144 16.781 1.00 13.04 H new ATOM 0 HB1 ALA A 42 -0.922 -1.813 18.966 1.00 72.23 H new ATOM 0 HB2 ALA A 42 -1.910 -2.405 17.609 1.00 72.23 H new ATOM 0 HB3 ALA A 42 -0.828 -3.521 18.475 1.00 72.23 H new ATOM 457 N ARG A 43 2.128 -3.389 17.893 1.00 51.21 N ATOM 458 CA ARG A 43 3.419 -3.570 18.546 1.00 52.41 C ATOM 459 C ARG A 43 4.555 -3.091 17.646 1.00 32.34 C ATOM 460 O ARG A 43 5.500 -2.453 18.109 1.00 33.34 O ATOM 461 CB ARG A 43 3.628 -5.040 18.911 1.00 20.42 C ATOM 462 CG ARG A 43 4.125 -5.891 17.754 1.00 44.44 C ATOM 463 CD ARG A 43 4.151 -7.367 18.118 1.00 42.14 C ATOM 464 NE ARG A 43 5.145 -8.104 17.342 1.00 21.54 N ATOM 465 CZ ARG A 43 6.454 -8.014 17.550 1.00 40.53 C ATOM 466 NH1 ARG A 43 6.924 -7.221 18.503 1.00 21.11 N ATOM 467 NH2 ARG A 43 7.296 -8.717 16.803 1.00 53.43 N ATOM 0 H ARG A 43 1.747 -4.235 17.469 1.00 51.21 H new ATOM 0 HA ARG A 43 3.424 -2.973 19.458 1.00 52.41 H new ATOM 0 HB2 ARG A 43 4.343 -5.104 19.731 1.00 20.42 H new ATOM 0 HB3 ARG A 43 2.687 -5.452 19.276 1.00 20.42 H new ATOM 0 HG2 ARG A 43 3.481 -5.740 16.887 1.00 44.44 H new ATOM 0 HG3 ARG A 43 5.126 -5.568 17.467 1.00 44.44 H new ATOM 0 HD2 ARG A 43 4.368 -7.475 19.181 1.00 42.14 H new ATOM 0 HD3 ARG A 43 3.165 -7.800 17.949 1.00 42.14 H new ATOM 0 HE ARG A 43 4.816 -8.722 16.600 1.00 21.54 H new ATOM 0 HH11 ARG A 43 6.280 -6.678 19.078 1.00 21.11 H new ATOM 0 HH12 ARG A 43 7.929 -7.154 18.661 1.00 21.11 H new ATOM 0 HH21 ARG A 43 6.938 -9.327 16.068 1.00 53.43 H new ATOM 0 HH22 ARG A 43 8.301 -8.647 16.964 1.00 53.43 H new ATOM 481 N ALA A 44 4.455 -3.405 16.359 1.00 42.13 N ATOM 482 CA ALA A 44 5.473 -3.006 15.394 1.00 32.14 C ATOM 483 C ALA A 44 5.363 -1.522 15.062 1.00 14.00 C ATOM 484 O ALA A 44 6.285 -0.749 15.318 1.00 43.24 O ATOM 485 CB ALA A 44 5.357 -3.842 14.129 1.00 61.53 C ATOM 0 H ALA A 44 3.680 -3.934 15.960 1.00 42.13 H new ATOM 0 HA ALA A 44 6.451 -3.179 15.842 1.00 32.14 H new ATOM 0 HB1 ALA A 44 6.123 -3.533 13.417 1.00 61.53 H new ATOM 0 HB2 ALA A 44 5.493 -4.895 14.375 1.00 61.53 H new ATOM 0 HB3 ALA A 44 4.371 -3.698 13.687 1.00 61.53 H new ATOM 491 N ALA A 45 4.228 -1.131 14.490 1.00 24.02 N ATOM 492 CA ALA A 45 3.998 0.261 14.124 1.00 34.21 C ATOM 493 C ALA A 45 4.220 1.186 15.316 1.00 44.14 C ATOM 494 O ALA A 45 4.429 2.387 15.150 1.00 45.40 O ATOM 495 CB ALA A 45 2.590 0.435 13.574 1.00 52.40 C ATOM 0 H ALA A 45 3.454 -1.759 14.270 1.00 24.02 H new ATOM 0 HA ALA A 45 4.716 0.531 13.349 1.00 34.21 H new ATOM 0 HB1 ALA A 45 2.431 1.479 13.304 1.00 52.40 H new ATOM 0 HB2 ALA A 45 2.465 -0.191 12.691 1.00 52.40 H new ATOM 0 HB3 ALA A 45 1.864 0.142 14.333 1.00 52.40 H new ATOM 501 N ALA A 46 4.174 0.619 16.516 1.00 34.44 N ATOM 502 CA ALA A 46 4.372 1.393 17.735 1.00 32.25 C ATOM 503 C ALA A 46 5.747 2.051 17.750 1.00 24.44 C ATOM 504 O ALA A 46 5.863 3.273 17.664 1.00 0.34 O ATOM 505 CB ALA A 46 4.196 0.505 18.959 1.00 54.42 C ATOM 0 H ALA A 46 4.001 -0.374 16.671 1.00 34.44 H new ATOM 0 HA ALA A 46 3.620 2.182 17.761 1.00 32.25 H new ATOM 0 HB1 ALA A 46 4.347 1.096 19.862 1.00 54.42 H new ATOM 0 HB2 ALA A 46 3.190 0.086 18.963 1.00 54.42 H new ATOM 0 HB3 ALA A 46 4.926 -0.304 18.929 1.00 54.42 H new ATOM 511 N VAL A 47 6.789 1.232 17.861 1.00 72.20 N ATOM 512 CA VAL A 47 8.157 1.734 17.887 1.00 41.40 C ATOM 513 C VAL A 47 8.910 1.345 16.620 1.00 71.32 C ATOM 514 O VAL A 47 10.011 1.832 16.366 1.00 10.22 O ATOM 515 CB VAL A 47 8.927 1.205 19.112 1.00 74.55 C ATOM 516 CG1 VAL A 47 10.269 1.907 19.244 1.00 41.21 C ATOM 517 CG2 VAL A 47 8.098 1.377 20.376 1.00 64.41 C ATOM 0 H VAL A 47 6.711 0.218 17.934 1.00 72.20 H new ATOM 0 HA VAL A 47 8.093 2.820 17.949 1.00 41.40 H new ATOM 0 HB VAL A 47 9.115 0.141 18.970 1.00 74.55 H new ATOM 0 HG11 VAL A 47 10.798 1.520 20.115 1.00 41.21 H new ATOM 0 HG12 VAL A 47 10.864 1.727 18.348 1.00 41.21 H new ATOM 0 HG13 VAL A 47 10.109 2.979 19.363 1.00 41.21 H new ATOM 0 HG21 VAL A 47 8.657 0.998 21.232 1.00 64.41 H new ATOM 0 HG22 VAL A 47 7.878 2.434 20.526 1.00 64.41 H new ATOM 0 HG23 VAL A 47 7.165 0.822 20.277 1.00 64.41 H new ATOM 527 N GLN A 48 8.308 0.463 15.828 1.00 53.42 N ATOM 528 CA GLN A 48 8.922 0.008 14.586 1.00 0.13 C ATOM 529 C GLN A 48 8.646 0.988 13.451 1.00 40.21 C ATOM 530 O GLN A 48 9.512 1.244 12.615 1.00 51.32 O ATOM 531 CB GLN A 48 8.401 -1.381 14.214 1.00 21.34 C ATOM 532 CG GLN A 48 9.414 -2.229 13.462 1.00 31.53 C ATOM 533 CD GLN A 48 10.190 -3.159 14.375 1.00 13.50 C ATOM 534 OE1 GLN A 48 10.650 -2.756 15.444 1.00 40.12 O ATOM 535 NE2 GLN A 48 10.339 -4.410 13.958 1.00 72.32 N ATOM 0 H GLN A 48 7.396 0.050 16.024 1.00 53.42 H new ATOM 0 HA GLN A 48 10.000 -0.045 14.741 1.00 0.13 H new ATOM 0 HB2 GLN A 48 8.105 -1.904 15.123 1.00 21.34 H new ATOM 0 HB3 GLN A 48 7.505 -1.272 13.603 1.00 21.34 H new ATOM 0 HG2 GLN A 48 8.898 -2.818 12.704 1.00 31.53 H new ATOM 0 HG3 GLN A 48 10.111 -1.576 12.938 1.00 31.53 H new ATOM 0 HE21 GLN A 48 9.941 -4.701 13.065 1.00 72.32 H new ATOM 0 HE22 GLN A 48 10.852 -5.081 14.530 1.00 72.32 H new ATOM 544 N ALA A 49 7.434 1.533 13.428 1.00 41.13 N ATOM 545 CA ALA A 49 7.045 2.486 12.396 1.00 53.30 C ATOM 546 C ALA A 49 7.089 3.916 12.924 1.00 5.14 C ATOM 547 O ALA A 49 6.907 4.873 12.172 1.00 72.14 O ATOM 548 CB ALA A 49 5.654 2.158 11.872 1.00 4.51 C ATOM 0 H ALA A 49 6.705 1.331 14.112 1.00 41.13 H new ATOM 0 HA ALA A 49 7.759 2.407 11.576 1.00 53.30 H new ATOM 0 HB1 ALA A 49 5.376 2.878 11.102 1.00 4.51 H new ATOM 0 HB2 ALA A 49 5.652 1.154 11.448 1.00 4.51 H new ATOM 0 HB3 ALA A 49 4.936 2.207 12.691 1.00 4.51 H new ATOM 554 N VAL A 50 7.333 4.055 14.224 1.00 70.52 N ATOM 555 CA VAL A 50 7.402 5.368 14.853 1.00 20.00 C ATOM 556 C VAL A 50 8.767 6.011 14.635 1.00 61.30 C ATOM 557 O VAL A 50 8.918 7.232 14.665 1.00 53.35 O ATOM 558 CB VAL A 50 7.123 5.281 16.365 1.00 3.23 C ATOM 559 CG1 VAL A 50 8.027 6.236 17.131 1.00 71.14 C ATOM 560 CG2 VAL A 50 5.659 5.573 16.654 1.00 13.24 C ATOM 0 H VAL A 50 7.486 3.274 14.862 1.00 70.52 H new ATOM 0 HA VAL A 50 6.635 5.984 14.384 1.00 20.00 H new ATOM 0 HB VAL A 50 7.340 4.266 16.699 1.00 3.23 H new ATOM 0 HG11 VAL A 50 7.815 6.161 18.198 1.00 71.14 H new ATOM 0 HG12 VAL A 50 9.070 5.975 16.949 1.00 71.14 H new ATOM 0 HG13 VAL A 50 7.844 7.257 16.796 1.00 71.14 H new ATOM 0 HG21 VAL A 50 5.480 5.507 17.727 1.00 13.24 H new ATOM 0 HG22 VAL A 50 5.412 6.576 16.306 1.00 13.24 H new ATOM 0 HG23 VAL A 50 5.034 4.845 16.136 1.00 13.24 H new ATOM 570 N PRO A 51 9.788 5.170 14.410 1.00 72.01 N ATOM 571 CA PRO A 51 11.159 5.634 14.181 1.00 25.51 C ATOM 572 C PRO A 51 11.317 6.339 12.839 1.00 55.34 C ATOM 573 O PRO A 51 12.368 6.906 12.543 1.00 31.23 O ATOM 574 CB PRO A 51 11.979 4.341 14.205 1.00 43.11 C ATOM 575 CG PRO A 51 11.015 3.274 13.816 1.00 64.14 C ATOM 576 CD PRO A 51 9.681 3.702 14.361 1.00 41.12 C ATOM 0 HA PRO A 51 11.470 6.367 14.925 1.00 25.51 H new ATOM 0 HB2 PRO A 51 12.817 4.390 13.509 1.00 43.11 H new ATOM 0 HB3 PRO A 51 12.397 4.155 15.194 1.00 43.11 H new ATOM 0 HG2 PRO A 51 10.975 3.160 12.733 1.00 64.14 H new ATOM 0 HG3 PRO A 51 11.313 2.310 14.227 1.00 64.14 H new ATOM 0 HD2 PRO A 51 8.862 3.380 13.718 1.00 41.12 H new ATOM 0 HD3 PRO A 51 9.496 3.279 15.349 1.00 41.12 H new ATOM 584 N GLY A 52 10.263 6.301 12.028 1.00 0.52 N ATOM 585 CA GLY A 52 10.305 6.942 10.726 1.00 20.35 C ATOM 586 C GLY A 52 9.641 8.304 10.729 1.00 53.22 C ATOM 587 O GLY A 52 9.913 9.137 9.865 1.00 74.43 O ATOM 0 H GLY A 52 9.382 5.838 12.249 1.00 0.52 H new ATOM 0 HA2 GLY A 52 11.343 7.048 10.410 1.00 20.35 H new ATOM 0 HA3 GLY A 52 9.812 6.303 9.994 1.00 20.35 H new ATOM 591 N GLY A 53 8.765 8.532 11.703 1.00 52.42 N ATOM 592 CA GLY A 53 8.072 9.804 11.794 1.00 11.24 C ATOM 593 C GLY A 53 6.767 9.700 12.559 1.00 23.11 C ATOM 594 O GLY A 53 6.363 10.640 13.244 1.00 55.33 O ATOM 0 H GLY A 53 8.523 7.859 12.430 1.00 52.42 H new ATOM 0 HA2 GLY A 53 8.719 10.533 12.283 1.00 11.24 H new ATOM 0 HA3 GLY A 53 7.872 10.178 10.790 1.00 11.24 H new ATOM 598 N THR A 54 6.105 8.553 12.442 1.00 14.35 N ATOM 599 CA THR A 54 4.837 8.330 13.126 1.00 52.32 C ATOM 600 C THR A 54 4.588 6.843 13.351 1.00 13.42 C ATOM 601 O THR A 54 5.204 5.996 12.705 1.00 11.44 O ATOM 602 CB THR A 54 3.658 8.922 12.330 1.00 60.32 C ATOM 603 OG1 THR A 54 2.551 9.167 13.204 1.00 74.21 O ATOM 604 CG2 THR A 54 3.231 7.980 11.214 1.00 24.53 C ATOM 0 H THR A 54 6.426 7.764 11.880 1.00 14.35 H new ATOM 0 HA THR A 54 4.905 8.834 14.090 1.00 52.32 H new ATOM 0 HB THR A 54 3.984 9.862 11.885 1.00 60.32 H new ATOM 0 HG1 THR A 54 1.806 9.545 12.691 1.00 74.21 H new ATOM 0 HG21 THR A 54 2.397 8.419 10.666 1.00 24.53 H new ATOM 0 HG22 THR A 54 4.067 7.819 10.534 1.00 24.53 H new ATOM 0 HG23 THR A 54 2.922 7.026 11.641 1.00 24.53 H new ATOM 612 N ALA A 55 3.680 6.533 14.271 1.00 2.02 N ATOM 613 CA ALA A 55 3.348 5.148 14.580 1.00 71.35 C ATOM 614 C ALA A 55 2.452 4.545 13.503 1.00 52.33 C ATOM 615 O ALA A 55 1.274 4.279 13.739 1.00 41.53 O ATOM 616 CB ALA A 55 2.674 5.057 15.941 1.00 65.12 C ATOM 0 H ALA A 55 3.161 7.223 14.815 1.00 2.02 H new ATOM 0 HA ALA A 55 4.275 4.576 14.607 1.00 71.35 H new ATOM 0 HB1 ALA A 55 2.432 4.017 16.158 1.00 65.12 H new ATOM 0 HB2 ALA A 55 3.348 5.440 16.707 1.00 65.12 H new ATOM 0 HB3 ALA A 55 1.759 5.649 15.934 1.00 65.12 H new ATOM 622 N GLY A 56 3.018 4.333 12.318 1.00 0.04 N ATOM 623 CA GLY A 56 2.255 3.764 11.223 1.00 41.33 C ATOM 624 C GLY A 56 3.087 2.840 10.356 1.00 74.03 C ATOM 625 O GLY A 56 3.886 3.297 9.539 1.00 13.23 O ATOM 0 H GLY A 56 3.991 4.545 12.098 1.00 0.04 H new ATOM 0 HA2 GLY A 56 1.405 3.213 11.624 1.00 41.33 H new ATOM 0 HA3 GLY A 56 1.852 4.569 10.608 1.00 41.33 H new ATOM 629 N GLU A 57 2.899 1.536 10.534 1.00 25.02 N ATOM 630 CA GLU A 57 3.641 0.546 9.763 1.00 63.34 C ATOM 631 C GLU A 57 2.817 0.050 8.578 1.00 41.43 C ATOM 632 O GLU A 57 1.748 0.585 8.284 1.00 34.12 O ATOM 633 CB GLU A 57 4.037 -0.635 10.652 1.00 15.11 C ATOM 634 CG GLU A 57 5.430 -1.170 10.370 1.00 44.22 C ATOM 635 CD GLU A 57 5.763 -2.396 11.197 1.00 22.30 C ATOM 636 OE1 GLU A 57 4.889 -3.278 11.329 1.00 24.44 O ATOM 637 OE2 GLU A 57 6.898 -2.474 11.712 1.00 45.32 O ATOM 0 H GLU A 57 2.240 1.141 11.205 1.00 25.02 H new ATOM 0 HA GLU A 57 4.544 1.023 9.382 1.00 63.34 H new ATOM 0 HB2 GLU A 57 3.980 -0.328 11.696 1.00 15.11 H new ATOM 0 HB3 GLU A 57 3.314 -1.439 10.516 1.00 15.11 H new ATOM 0 HG2 GLU A 57 5.513 -1.417 9.312 1.00 44.22 H new ATOM 0 HG3 GLU A 57 6.163 -0.389 10.573 1.00 44.22 H new ATOM 644 N VAL A 58 3.323 -0.975 7.900 1.00 43.35 N ATOM 645 CA VAL A 58 2.635 -1.543 6.747 1.00 70.41 C ATOM 646 C VAL A 58 2.591 -3.065 6.829 1.00 35.00 C ATOM 647 O VAL A 58 3.628 -3.723 6.888 1.00 64.32 O ATOM 648 CB VAL A 58 3.315 -1.131 5.428 1.00 74.03 C ATOM 649 CG1 VAL A 58 2.702 -1.880 4.254 1.00 14.11 C ATOM 650 CG2 VAL A 58 3.212 0.373 5.223 1.00 30.13 C ATOM 0 H VAL A 58 4.207 -1.429 8.129 1.00 43.35 H new ATOM 0 HA VAL A 58 1.618 -1.151 6.761 1.00 70.41 H new ATOM 0 HB VAL A 58 4.371 -1.396 5.486 1.00 74.03 H new ATOM 0 HG11 VAL A 58 3.195 -1.576 3.331 1.00 14.11 H new ATOM 0 HG12 VAL A 58 2.832 -2.952 4.399 1.00 14.11 H new ATOM 0 HG13 VAL A 58 1.639 -1.649 4.190 1.00 14.11 H new ATOM 0 HG21 VAL A 58 3.698 0.647 4.286 1.00 30.13 H new ATOM 0 HG22 VAL A 58 2.162 0.664 5.186 1.00 30.13 H new ATOM 0 HG23 VAL A 58 3.702 0.887 6.050 1.00 30.13 H new ATOM 660 N GLU A 59 1.381 -3.617 6.832 1.00 22.11 N ATOM 661 CA GLU A 59 1.202 -5.062 6.907 1.00 21.33 C ATOM 662 C GLU A 59 1.022 -5.661 5.515 1.00 23.44 C ATOM 663 O GLU A 59 0.501 -5.011 4.609 1.00 44.23 O ATOM 664 CB GLU A 59 -0.006 -5.404 7.782 1.00 53.14 C ATOM 665 CG GLU A 59 -0.154 -6.890 8.063 1.00 45.14 C ATOM 666 CD GLU A 59 -0.891 -7.622 6.959 1.00 74.14 C ATOM 667 OE1 GLU A 59 -1.848 -7.044 6.401 1.00 62.24 O ATOM 668 OE2 GLU A 59 -0.513 -8.772 6.653 1.00 72.11 O ATOM 0 H GLU A 59 0.512 -3.086 6.783 1.00 22.11 H new ATOM 0 HA GLU A 59 2.099 -5.491 7.355 1.00 21.33 H new ATOM 0 HB2 GLU A 59 0.079 -4.871 8.729 1.00 53.14 H new ATOM 0 HB3 GLU A 59 -0.911 -5.043 7.294 1.00 53.14 H new ATOM 0 HG2 GLU A 59 0.834 -7.332 8.190 1.00 45.14 H new ATOM 0 HG3 GLU A 59 -0.688 -7.027 9.004 1.00 45.14 H new ATOM 675 N THR A 60 1.458 -6.907 5.353 1.00 51.12 N ATOM 676 CA THR A 60 1.347 -7.594 4.072 1.00 24.24 C ATOM 677 C THR A 60 0.846 -9.022 4.256 1.00 11.02 C ATOM 678 O THR A 60 1.531 -9.859 4.842 1.00 25.12 O ATOM 679 CB THR A 60 2.699 -7.628 3.334 1.00 0.14 C ATOM 680 OG1 THR A 60 2.614 -8.492 2.196 1.00 51.25 O ATOM 681 CG2 THR A 60 3.808 -8.107 4.259 1.00 44.34 C ATOM 0 H THR A 60 1.891 -7.460 6.093 1.00 51.12 H new ATOM 0 HA THR A 60 0.629 -7.034 3.474 1.00 24.24 H new ATOM 0 HB THR A 60 2.934 -6.616 3.004 1.00 0.14 H new ATOM 0 HG1 THR A 60 1.811 -8.274 1.679 1.00 51.25 H new ATOM 0 HG21 THR A 60 4.753 -8.123 3.716 1.00 44.34 H new ATOM 0 HG22 THR A 60 3.890 -7.431 5.110 1.00 44.34 H new ATOM 0 HG23 THR A 60 3.577 -9.111 4.615 1.00 44.34 H new ATOM 689 N GLU A 61 -0.354 -9.293 3.751 1.00 4.22 N ATOM 690 CA GLU A 61 -0.946 -10.621 3.861 1.00 42.32 C ATOM 691 C GLU A 61 -1.655 -11.009 2.566 1.00 3.14 C ATOM 692 O GLU A 61 -1.978 -10.154 1.741 1.00 64.13 O ATOM 693 CB GLU A 61 -1.932 -10.669 5.030 1.00 53.35 C ATOM 694 CG GLU A 61 -1.433 -11.479 6.214 1.00 15.12 C ATOM 695 CD GLU A 61 -2.244 -12.740 6.441 1.00 14.25 C ATOM 696 OE1 GLU A 61 -2.771 -13.294 5.454 1.00 42.51 O ATOM 697 OE2 GLU A 61 -2.352 -13.173 7.608 1.00 51.10 O ATOM 0 H GLU A 61 -0.934 -8.611 3.262 1.00 4.22 H new ATOM 0 HA GLU A 61 -0.143 -11.335 4.043 1.00 42.32 H new ATOM 0 HB2 GLU A 61 -2.142 -9.651 5.359 1.00 53.35 H new ATOM 0 HB3 GLU A 61 -2.874 -11.092 4.682 1.00 53.35 H new ATOM 0 HG2 GLU A 61 -0.389 -11.747 6.052 1.00 15.12 H new ATOM 0 HG3 GLU A 61 -1.468 -10.862 7.112 1.00 15.12 H new ATOM 704 N THR A 62 -1.894 -12.305 2.395 1.00 23.52 N ATOM 705 CA THR A 62 -2.562 -12.808 1.202 1.00 71.42 C ATOM 706 C THR A 62 -3.807 -13.610 1.565 1.00 3.02 C ATOM 707 O THR A 62 -3.725 -14.618 2.266 1.00 71.13 O ATOM 708 CB THR A 62 -1.622 -13.694 0.362 1.00 20.04 C ATOM 709 OG1 THR A 62 -0.401 -13.924 1.074 1.00 44.34 O ATOM 710 CG2 THR A 62 -1.319 -13.043 -0.979 1.00 11.34 C ATOM 0 H THR A 62 -1.635 -13.026 3.068 1.00 23.52 H new ATOM 0 HA THR A 62 -2.852 -11.938 0.613 1.00 71.42 H new ATOM 0 HB THR A 62 -2.121 -14.646 0.180 1.00 20.04 H new ATOM 0 HG1 THR A 62 0.191 -14.489 0.535 1.00 44.34 H new ATOM 0 HG21 THR A 62 -0.654 -13.687 -1.554 1.00 11.34 H new ATOM 0 HG22 THR A 62 -2.248 -12.896 -1.530 1.00 11.34 H new ATOM 0 HG23 THR A 62 -0.838 -12.079 -0.815 1.00 11.34 H new ATOM 718 N GLY A 63 -4.960 -13.155 1.084 1.00 63.35 N ATOM 719 CA GLY A 63 -6.205 -13.843 1.368 1.00 34.13 C ATOM 720 C GLY A 63 -6.634 -14.758 0.239 1.00 63.45 C ATOM 721 O GLY A 63 -5.816 -15.154 -0.591 1.00 70.05 O ATOM 0 H GLY A 63 -5.054 -12.322 0.503 1.00 63.35 H new ATOM 0 HA2 GLY A 63 -6.093 -14.427 2.282 1.00 34.13 H new ATOM 0 HA3 GLY A 63 -6.988 -13.108 1.553 1.00 34.13 H new ATOM 725 N GLU A 64 -7.919 -15.097 0.208 1.00 50.42 N ATOM 726 CA GLU A 64 -8.453 -15.974 -0.828 1.00 1.43 C ATOM 727 C GLU A 64 -8.771 -15.187 -2.096 1.00 14.11 C ATOM 728 O GLU A 64 -8.813 -15.745 -3.192 1.00 10.24 O ATOM 729 CB GLU A 64 -9.711 -16.685 -0.326 1.00 13.20 C ATOM 730 CG GLU A 64 -9.422 -17.847 0.609 1.00 2.11 C ATOM 731 CD GLU A 64 -10.623 -18.751 0.805 1.00 31.31 C ATOM 732 OE1 GLU A 64 -11.719 -18.228 1.094 1.00 33.33 O ATOM 733 OE2 GLU A 64 -10.466 -19.983 0.669 1.00 51.24 O ATOM 0 H GLU A 64 -8.609 -14.778 0.888 1.00 50.42 H new ATOM 0 HA GLU A 64 -7.694 -16.719 -1.065 1.00 1.43 H new ATOM 0 HB2 GLU A 64 -10.344 -15.963 0.190 1.00 13.20 H new ATOM 0 HB3 GLU A 64 -10.277 -17.051 -1.182 1.00 13.20 H new ATOM 0 HG2 GLU A 64 -8.593 -18.432 0.210 1.00 2.11 H new ATOM 0 HG3 GLU A 64 -9.102 -17.459 1.576 1.00 2.11 H new ATOM 740 N GLY A 65 -8.996 -13.886 -1.938 1.00 14.14 N ATOM 741 CA GLY A 65 -9.309 -13.043 -3.077 1.00 32.21 C ATOM 742 C GLY A 65 -8.077 -12.667 -3.875 1.00 42.13 C ATOM 743 O GLY A 65 -7.450 -13.521 -4.501 1.00 25.13 O ATOM 0 H GLY A 65 -8.967 -13.401 -1.041 1.00 14.14 H new ATOM 0 HA2 GLY A 65 -10.014 -13.562 -3.726 1.00 32.21 H new ATOM 0 HA3 GLY A 65 -9.804 -12.136 -2.729 1.00 32.21 H new ATOM 747 N ALA A 66 -7.730 -11.384 -3.856 1.00 21.13 N ATOM 748 CA ALA A 66 -6.565 -10.897 -4.583 1.00 5.31 C ATOM 749 C ALA A 66 -5.493 -10.387 -3.625 1.00 32.01 C ATOM 750 O ALA A 66 -4.432 -10.994 -3.486 1.00 44.25 O ATOM 751 CB ALA A 66 -6.970 -9.799 -5.556 1.00 35.52 C ATOM 0 H ALA A 66 -8.240 -10.663 -3.345 1.00 21.13 H new ATOM 0 HA ALA A 66 -6.146 -11.731 -5.146 1.00 5.31 H new ATOM 0 HB1 ALA A 66 -6.089 -9.445 -6.092 1.00 35.52 H new ATOM 0 HB2 ALA A 66 -7.694 -10.193 -6.269 1.00 35.52 H new ATOM 0 HB3 ALA A 66 -7.417 -8.971 -5.005 1.00 35.52 H new ATOM 757 N ALA A 67 -5.779 -9.269 -2.966 1.00 44.42 N ATOM 758 CA ALA A 67 -4.840 -8.678 -2.020 1.00 63.43 C ATOM 759 C ALA A 67 -5.347 -8.810 -0.588 1.00 72.43 C ATOM 760 O ALA A 67 -6.546 -8.960 -0.356 1.00 73.22 O ATOM 761 CB ALA A 67 -4.594 -7.216 -2.363 1.00 33.43 C ATOM 0 H ALA A 67 -6.653 -8.754 -3.070 1.00 44.42 H new ATOM 0 HA ALA A 67 -3.897 -9.220 -2.095 1.00 63.43 H new ATOM 0 HB1 ALA A 67 -3.891 -6.788 -1.648 1.00 33.43 H new ATOM 0 HB2 ALA A 67 -4.179 -7.143 -3.368 1.00 33.43 H new ATOM 0 HB3 ALA A 67 -5.535 -6.668 -2.318 1.00 33.43 H new ATOM 767 N ALA A 68 -4.426 -8.754 0.368 1.00 34.34 N ATOM 768 CA ALA A 68 -4.781 -8.866 1.778 1.00 74.33 C ATOM 769 C ALA A 68 -3.740 -8.189 2.662 1.00 42.24 C ATOM 770 O ALA A 68 -3.100 -8.836 3.491 1.00 44.22 O ATOM 771 CB ALA A 68 -4.937 -10.329 2.168 1.00 11.41 C ATOM 0 H ALA A 68 -3.429 -8.632 0.192 1.00 34.34 H new ATOM 0 HA ALA A 68 -5.733 -8.357 1.929 1.00 74.33 H new ATOM 0 HB1 ALA A 68 -5.202 -10.398 3.223 1.00 11.41 H new ATOM 0 HB2 ALA A 68 -5.723 -10.784 1.566 1.00 11.41 H new ATOM 0 HB3 ALA A 68 -3.998 -10.854 1.995 1.00 11.41 H new ATOM 777 N TYR A 69 -3.575 -6.884 2.479 1.00 44.52 N ATOM 778 CA TYR A 69 -2.608 -6.119 3.258 1.00 41.11 C ATOM 779 C TYR A 69 -3.312 -5.116 4.167 1.00 61.12 C ATOM 780 O TYR A 69 -4.528 -4.943 4.095 1.00 43.40 O ATOM 781 CB TYR A 69 -1.637 -5.388 2.329 1.00 23.22 C ATOM 782 CG TYR A 69 -1.388 -6.110 1.024 1.00 22.02 C ATOM 783 CD1 TYR A 69 -0.513 -7.188 0.960 1.00 41.32 C ATOM 784 CD2 TYR A 69 -2.026 -5.714 -0.144 1.00 73.15 C ATOM 785 CE1 TYR A 69 -0.282 -7.850 -0.230 1.00 43.14 C ATOM 786 CE2 TYR A 69 -1.802 -6.371 -1.339 1.00 34.33 C ATOM 787 CZ TYR A 69 -0.929 -7.438 -1.377 1.00 31.33 C ATOM 788 OH TYR A 69 -0.702 -8.095 -2.565 1.00 13.34 O ATOM 0 H TYR A 69 -4.098 -6.333 1.798 1.00 44.52 H new ATOM 0 HA TYR A 69 -2.049 -6.817 3.881 1.00 41.11 H new ATOM 0 HB2 TYR A 69 -2.030 -4.394 2.115 1.00 23.22 H new ATOM 0 HB3 TYR A 69 -0.687 -5.251 2.846 1.00 23.22 H new ATOM 0 HD1 TYR A 69 -0.005 -7.513 1.856 1.00 41.32 H new ATOM 0 HD2 TYR A 69 -2.709 -4.878 -0.118 1.00 73.15 H new ATOM 0 HE1 TYR A 69 0.401 -8.686 -0.263 1.00 43.14 H new ATOM 0 HE2 TYR A 69 -2.308 -6.051 -2.238 1.00 34.33 H new ATOM 0 HH TYR A 69 -1.236 -7.681 -3.275 1.00 13.34 H new ATOM 798 N GLY A 70 -2.537 -4.457 5.023 1.00 44.13 N ATOM 799 CA GLY A 70 -3.102 -3.479 5.934 1.00 44.22 C ATOM 800 C GLY A 70 -2.063 -2.507 6.458 1.00 31.23 C ATOM 801 O GLY A 70 -1.115 -2.906 7.135 1.00 40.12 O ATOM 0 H GLY A 70 -1.528 -4.583 5.102 1.00 44.13 H new ATOM 0 HA2 GLY A 70 -3.890 -2.924 5.424 1.00 44.22 H new ATOM 0 HA3 GLY A 70 -3.568 -3.995 6.773 1.00 44.22 H new ATOM 805 N VAL A 71 -2.240 -1.228 6.145 1.00 52.42 N ATOM 806 CA VAL A 71 -1.310 -0.196 6.589 1.00 54.04 C ATOM 807 C VAL A 71 -1.936 0.680 7.668 1.00 20.02 C ATOM 808 O VAL A 71 -2.980 1.297 7.455 1.00 53.24 O ATOM 809 CB VAL A 71 -0.860 0.696 5.416 1.00 33.13 C ATOM 810 CG1 VAL A 71 -2.061 1.359 4.758 1.00 24.01 C ATOM 811 CG2 VAL A 71 0.140 1.738 5.894 1.00 53.03 C ATOM 0 H VAL A 71 -3.019 -0.881 5.585 1.00 52.42 H new ATOM 0 HA VAL A 71 -0.441 -0.709 7.000 1.00 54.04 H new ATOM 0 HB VAL A 71 -0.369 0.069 4.672 1.00 33.13 H new ATOM 0 HG11 VAL A 71 -1.724 1.985 3.932 1.00 24.01 H new ATOM 0 HG12 VAL A 71 -2.738 0.593 4.380 1.00 24.01 H new ATOM 0 HG13 VAL A 71 -2.583 1.975 5.490 1.00 24.01 H new ATOM 0 HG21 VAL A 71 0.448 2.360 5.053 1.00 53.03 H new ATOM 0 HG22 VAL A 71 -0.323 2.363 6.657 1.00 53.03 H new ATOM 0 HG23 VAL A 71 1.013 1.239 6.314 1.00 53.03 H new ATOM 821 N LEU A 72 -1.291 0.731 8.828 1.00 20.54 N ATOM 822 CA LEU A 72 -1.783 1.532 9.943 1.00 14.23 C ATOM 823 C LEU A 72 -0.854 2.710 10.219 1.00 33.14 C ATOM 824 O LEU A 72 0.364 2.597 10.087 1.00 45.22 O ATOM 825 CB LEU A 72 -1.917 0.668 11.198 1.00 11.15 C ATOM 826 CG LEU A 72 -0.951 -0.512 11.307 1.00 60.11 C ATOM 827 CD1 LEU A 72 -1.250 -1.547 10.234 1.00 72.23 C ATOM 828 CD2 LEU A 72 0.490 -0.033 11.202 1.00 73.41 C ATOM 0 H LEU A 72 -0.426 0.227 9.021 1.00 20.54 H new ATOM 0 HA LEU A 72 -2.764 1.923 9.672 1.00 14.23 H new ATOM 0 HB2 LEU A 72 -1.779 1.306 12.071 1.00 11.15 H new ATOM 0 HB3 LEU A 72 -2.936 0.283 11.243 1.00 11.15 H new ATOM 0 HG LEU A 72 -1.087 -0.980 12.282 1.00 60.11 H new ATOM 0 HD11 LEU A 72 -0.553 -2.379 10.327 1.00 72.23 H new ATOM 0 HD12 LEU A 72 -2.270 -1.913 10.355 1.00 72.23 H new ATOM 0 HD13 LEU A 72 -1.142 -1.092 9.249 1.00 72.23 H new ATOM 0 HD21 LEU A 72 1.164 -0.886 11.282 1.00 73.41 H new ATOM 0 HD22 LEU A 72 0.641 0.460 10.241 1.00 73.41 H new ATOM 0 HD23 LEU A 72 0.699 0.671 12.008 1.00 73.41 H new ATOM 840 N VAL A 73 -1.438 3.840 10.606 1.00 32.32 N ATOM 841 CA VAL A 73 -0.663 5.038 10.905 1.00 63.24 C ATOM 842 C VAL A 73 -1.333 5.869 11.993 1.00 45.00 C ATOM 843 O VAL A 73 -2.443 6.371 11.812 1.00 5.14 O ATOM 844 CB VAL A 73 -0.474 5.911 9.650 1.00 2.10 C ATOM 845 CG1 VAL A 73 0.422 7.101 9.958 1.00 52.53 C ATOM 846 CG2 VAL A 73 0.097 5.085 8.507 1.00 2.04 C ATOM 0 H VAL A 73 -2.446 3.951 10.720 1.00 32.32 H new ATOM 0 HA VAL A 73 0.313 4.704 11.257 1.00 63.24 H new ATOM 0 HB VAL A 73 -1.449 6.290 9.342 1.00 2.10 H new ATOM 0 HG11 VAL A 73 0.544 7.706 9.060 1.00 52.53 H new ATOM 0 HG12 VAL A 73 -0.032 7.705 10.744 1.00 52.53 H new ATOM 0 HG13 VAL A 73 1.397 6.746 10.292 1.00 52.53 H new ATOM 0 HG21 VAL A 73 0.224 5.718 7.629 1.00 2.04 H new ATOM 0 HG22 VAL A 73 1.063 4.675 8.802 1.00 2.04 H new ATOM 0 HG23 VAL A 73 -0.586 4.269 8.271 1.00 2.04 H new ATOM 856 N THR A 74 -0.651 6.012 13.125 1.00 25.32 N ATOM 857 CA THR A 74 -1.179 6.782 14.244 1.00 31.30 C ATOM 858 C THR A 74 -0.144 6.919 15.355 1.00 72.02 C ATOM 859 O THR A 74 1.026 7.201 15.095 1.00 54.14 O ATOM 860 CB THR A 74 -2.452 6.133 14.821 1.00 43.11 C ATOM 861 OG1 THR A 74 -3.203 5.512 13.772 1.00 32.55 O ATOM 862 CG2 THR A 74 -3.315 7.169 15.525 1.00 31.34 C ATOM 0 H THR A 74 0.269 5.604 13.291 1.00 25.32 H new ATOM 0 HA THR A 74 -1.426 7.771 13.858 1.00 31.30 H new ATOM 0 HB THR A 74 -2.152 5.378 15.548 1.00 43.11 H new ATOM 0 HG1 THR A 74 -3.295 6.136 13.022 1.00 32.55 H new ATOM 0 HG21 THR A 74 -4.208 6.688 15.924 1.00 31.34 H new ATOM 0 HG22 THR A 74 -2.750 7.620 16.341 1.00 31.34 H new ATOM 0 HG23 THR A 74 -3.606 7.943 14.815 1.00 31.34 H new ATOM 870 N ARG A 75 -0.582 6.717 16.593 1.00 2.13 N ATOM 871 CA ARG A 75 0.308 6.819 17.744 1.00 15.10 C ATOM 872 C ARG A 75 0.606 5.440 18.324 1.00 30.24 C ATOM 873 O ARG A 75 -0.213 4.523 18.263 1.00 72.22 O ATOM 874 CB ARG A 75 -0.315 7.713 18.819 1.00 64.43 C ATOM 875 CG ARG A 75 -0.905 9.002 18.272 1.00 41.12 C ATOM 876 CD ARG A 75 -0.670 10.168 19.219 1.00 1.12 C ATOM 877 NE ARG A 75 -1.033 9.838 20.595 1.00 71.44 N ATOM 878 CZ ARG A 75 -2.286 9.794 21.034 1.00 51.04 C ATOM 879 NH1 ARG A 75 -3.290 10.058 20.209 1.00 14.13 N ATOM 880 NH2 ARG A 75 -2.536 9.485 22.300 1.00 54.24 N ATOM 0 H ARG A 75 -1.547 6.482 16.825 1.00 2.13 H new ATOM 0 HA ARG A 75 1.245 7.264 17.409 1.00 15.10 H new ATOM 0 HB2 ARG A 75 -1.097 7.156 19.335 1.00 64.43 H new ATOM 0 HB3 ARG A 75 0.445 7.957 19.561 1.00 64.43 H new ATOM 0 HG2 ARG A 75 -0.460 9.224 17.302 1.00 41.12 H new ATOM 0 HG3 ARG A 75 -1.975 8.874 18.110 1.00 41.12 H new ATOM 0 HD2 ARG A 75 0.380 10.460 19.181 1.00 1.12 H new ATOM 0 HD3 ARG A 75 -1.252 11.028 18.887 1.00 1.12 H new ATOM 0 HE ARG A 75 -0.283 9.630 21.255 1.00 71.44 H new ATOM 0 HH11 ARG A 75 -3.101 10.295 19.235 1.00 14.13 H new ATOM 0 HH12 ARG A 75 -4.251 10.024 20.548 1.00 14.13 H new ATOM 0 HH21 ARG A 75 -1.766 9.281 22.937 1.00 54.24 H new ATOM 0 HH22 ARG A 75 -3.498 9.451 22.636 1.00 54.24 H new ATOM 894 N PRO A 76 1.807 5.288 18.901 1.00 22.44 N ATOM 895 CA PRO A 76 2.242 4.024 19.504 1.00 74.22 C ATOM 896 C PRO A 76 1.477 3.698 20.782 1.00 2.14 C ATOM 897 O PRO A 76 1.782 2.721 21.467 1.00 14.31 O ATOM 898 CB PRO A 76 3.721 4.268 19.813 1.00 71.04 C ATOM 899 CG PRO A 76 3.838 5.746 19.960 1.00 20.23 C ATOM 900 CD PRO A 76 2.834 6.338 19.011 1.00 73.24 C ATOM 0 HA PRO A 76 2.065 3.175 18.843 1.00 74.22 H new ATOM 0 HB2 PRO A 76 4.025 3.754 20.725 1.00 71.04 H new ATOM 0 HB3 PRO A 76 4.359 3.898 19.011 1.00 71.04 H new ATOM 0 HG2 PRO A 76 3.634 6.053 20.986 1.00 20.23 H new ATOM 0 HG3 PRO A 76 4.847 6.083 19.721 1.00 20.23 H new ATOM 0 HD2 PRO A 76 2.417 7.269 19.396 1.00 73.24 H new ATOM 0 HD3 PRO A 76 3.281 6.565 18.043 1.00 73.24 H new ATOM 908 N ASP A 77 0.484 4.522 21.098 1.00 32.51 N ATOM 909 CA ASP A 77 -0.326 4.320 22.294 1.00 24.13 C ATOM 910 C ASP A 77 -1.394 3.257 22.055 1.00 43.31 C ATOM 911 O ASP A 77 -2.452 3.274 22.683 1.00 64.53 O ATOM 912 CB ASP A 77 -0.982 5.634 22.719 1.00 13.22 C ATOM 913 CG ASP A 77 -0.102 6.447 23.648 1.00 14.14 C ATOM 914 OD1 ASP A 77 0.661 5.838 24.427 1.00 12.03 O ATOM 915 OD2 ASP A 77 -0.176 7.692 23.596 1.00 13.42 O ATOM 0 H ASP A 77 0.221 5.336 20.543 1.00 32.51 H new ATOM 0 HA ASP A 77 0.330 3.975 23.093 1.00 24.13 H new ATOM 0 HB2 ASP A 77 -1.213 6.225 21.833 1.00 13.22 H new ATOM 0 HB3 ASP A 77 -1.929 5.420 23.215 1.00 13.22 H new ATOM 920 N GLY A 78 -1.109 2.334 21.141 1.00 10.40 N ATOM 921 CA GLY A 78 -2.055 1.278 20.834 1.00 74.11 C ATOM 922 C GLY A 78 -3.198 1.759 19.961 1.00 21.44 C ATOM 923 O GLY A 78 -3.976 0.956 19.445 1.00 63.34 O ATOM 0 H GLY A 78 -0.240 2.299 20.608 1.00 10.40 H new ATOM 0 HA2 GLY A 78 -1.535 0.464 20.330 1.00 74.11 H new ATOM 0 HA3 GLY A 78 -2.457 0.873 21.763 1.00 74.11 H new ATOM 927 N THR A 79 -3.302 3.074 19.797 1.00 34.21 N ATOM 928 CA THR A 79 -4.360 3.661 18.984 1.00 62.20 C ATOM 929 C THR A 79 -3.854 4.001 17.587 1.00 52.13 C ATOM 930 O THR A 79 -3.171 5.007 17.391 1.00 33.34 O ATOM 931 CB THR A 79 -4.928 4.935 19.636 1.00 14.13 C ATOM 932 OG1 THR A 79 -3.993 6.011 19.506 1.00 3.34 O ATOM 933 CG2 THR A 79 -5.236 4.699 21.107 1.00 32.13 C ATOM 0 H THR A 79 -2.666 3.753 20.216 1.00 34.21 H new ATOM 0 HA THR A 79 -5.152 2.916 18.910 1.00 62.20 H new ATOM 0 HB THR A 79 -5.854 5.196 19.124 1.00 14.13 H new ATOM 0 HG1 THR A 79 -3.216 5.709 18.990 1.00 3.34 H new ATOM 0 HG21 THR A 79 -5.636 5.613 21.546 1.00 32.13 H new ATOM 0 HG22 THR A 79 -5.971 3.899 21.201 1.00 32.13 H new ATOM 0 HG23 THR A 79 -4.322 4.415 21.629 1.00 32.13 H new ATOM 941 N ARG A 80 -4.194 3.158 16.618 1.00 71.43 N ATOM 942 CA ARG A 80 -3.774 3.369 15.238 1.00 44.51 C ATOM 943 C ARG A 80 -4.888 2.992 14.266 1.00 64.20 C ATOM 944 O ARG A 80 -5.829 2.286 14.628 1.00 30.00 O ATOM 945 CB ARG A 80 -2.518 2.551 14.934 1.00 64.13 C ATOM 946 CG ARG A 80 -2.640 1.084 15.313 1.00 3.23 C ATOM 947 CD ARG A 80 -1.382 0.309 14.952 1.00 35.31 C ATOM 948 NE ARG A 80 -0.185 1.141 15.028 1.00 51.54 N ATOM 949 CZ ARG A 80 0.349 1.559 16.170 1.00 22.50 C ATOM 950 NH1 ARG A 80 -0.205 1.222 17.327 1.00 64.34 N ATOM 951 NH2 ARG A 80 1.440 2.314 16.157 1.00 61.20 N ATOM 0 H ARG A 80 -4.760 2.322 16.763 1.00 71.43 H new ATOM 0 HA ARG A 80 -3.549 4.428 15.111 1.00 44.51 H new ATOM 0 HB2 ARG A 80 -2.295 2.625 13.870 1.00 64.13 H new ATOM 0 HB3 ARG A 80 -1.673 2.986 15.468 1.00 64.13 H new ATOM 0 HG2 ARG A 80 -2.827 0.998 16.383 1.00 3.23 H new ATOM 0 HG3 ARG A 80 -3.498 0.645 14.803 1.00 3.23 H new ATOM 0 HD2 ARG A 80 -1.275 -0.542 15.625 1.00 35.31 H new ATOM 0 HD3 ARG A 80 -1.481 -0.093 13.943 1.00 35.31 H new ATOM 0 HE ARG A 80 0.266 1.417 14.156 1.00 51.54 H new ATOM 0 HH11 ARG A 80 -1.043 0.641 17.341 1.00 64.34 H new ATOM 0 HH12 ARG A 80 0.207 1.544 18.203 1.00 64.34 H new ATOM 0 HH21 ARG A 80 1.870 2.574 15.269 1.00 61.20 H new ATOM 0 HH22 ARG A 80 1.849 2.634 17.035 1.00 61.20 H new ATOM 965 N VAL A 81 -4.774 3.467 13.030 1.00 50.51 N ATOM 966 CA VAL A 81 -5.771 3.180 12.005 1.00 23.44 C ATOM 967 C VAL A 81 -5.189 2.299 10.905 1.00 34.43 C ATOM 968 O VAL A 81 -4.493 2.782 10.013 1.00 33.21 O ATOM 969 CB VAL A 81 -6.318 4.474 11.376 1.00 52.24 C ATOM 970 CG1 VAL A 81 -7.476 4.164 10.439 1.00 11.41 C ATOM 971 CG2 VAL A 81 -6.745 5.454 12.458 1.00 21.13 C ATOM 0 H VAL A 81 -4.001 4.053 12.714 1.00 50.51 H new ATOM 0 HA VAL A 81 -6.588 2.651 12.496 1.00 23.44 H new ATOM 0 HB VAL A 81 -5.523 4.937 10.792 1.00 52.24 H new ATOM 0 HG11 VAL A 81 -7.850 5.091 10.004 1.00 11.41 H new ATOM 0 HG12 VAL A 81 -7.133 3.502 9.644 1.00 11.41 H new ATOM 0 HG13 VAL A 81 -8.275 3.677 10.997 1.00 11.41 H new ATOM 0 HG21 VAL A 81 -7.129 6.363 11.995 1.00 21.13 H new ATOM 0 HG22 VAL A 81 -7.525 5.002 13.071 1.00 21.13 H new ATOM 0 HG23 VAL A 81 -5.888 5.700 13.085 1.00 21.13 H new ATOM 981 N GLU A 82 -5.481 1.003 10.976 1.00 42.51 N ATOM 982 CA GLU A 82 -4.986 0.055 9.985 1.00 30.22 C ATOM 983 C GLU A 82 -5.955 -0.062 8.813 1.00 75.35 C ATOM 984 O GLU A 82 -7.103 -0.476 8.980 1.00 63.32 O ATOM 985 CB GLU A 82 -4.773 -1.319 10.624 1.00 22.11 C ATOM 986 CG GLU A 82 -4.431 -2.410 9.623 1.00 53.44 C ATOM 987 CD GLU A 82 -5.589 -3.357 9.374 1.00 11.13 C ATOM 988 OE1 GLU A 82 -6.745 -2.961 9.635 1.00 62.35 O ATOM 989 OE2 GLU A 82 -5.340 -4.493 8.920 1.00 21.12 O ATOM 0 H GLU A 82 -6.057 0.587 11.708 1.00 42.51 H new ATOM 0 HA GLU A 82 -4.032 0.425 9.610 1.00 30.22 H new ATOM 0 HB2 GLU A 82 -3.971 -1.248 11.359 1.00 22.11 H new ATOM 0 HB3 GLU A 82 -5.676 -1.603 11.164 1.00 22.11 H new ATOM 0 HG2 GLU A 82 -4.132 -1.952 8.680 1.00 53.44 H new ATOM 0 HG3 GLU A 82 -3.575 -2.977 9.988 1.00 53.44 H new ATOM 996 N VAL A 83 -5.486 0.306 7.625 1.00 64.02 N ATOM 997 CA VAL A 83 -6.309 0.242 6.424 1.00 53.25 C ATOM 998 C VAL A 83 -6.022 -1.025 5.626 1.00 25.14 C ATOM 999 O VAL A 83 -4.942 -1.180 5.055 1.00 24.53 O ATOM 1000 CB VAL A 83 -6.079 1.468 5.519 1.00 20.33 C ATOM 1001 CG1 VAL A 83 -7.375 1.880 4.838 1.00 20.01 C ATOM 1002 CG2 VAL A 83 -5.499 2.621 6.324 1.00 54.42 C ATOM 0 H VAL A 83 -4.539 0.652 7.469 1.00 64.02 H new ATOM 0 HA VAL A 83 -7.348 0.232 6.754 1.00 53.25 H new ATOM 0 HB VAL A 83 -5.361 1.198 4.745 1.00 20.33 H new ATOM 0 HG11 VAL A 83 -7.193 2.747 4.203 1.00 20.01 H new ATOM 0 HG12 VAL A 83 -7.744 1.055 4.228 1.00 20.01 H new ATOM 0 HG13 VAL A 83 -8.119 2.133 5.594 1.00 20.01 H new ATOM 0 HG21 VAL A 83 -5.343 3.479 5.670 1.00 54.42 H new ATOM 0 HG22 VAL A 83 -6.192 2.893 7.120 1.00 54.42 H new ATOM 0 HG23 VAL A 83 -4.547 2.318 6.759 1.00 54.42 H new ATOM 1012 N HIS A 84 -6.995 -1.929 5.591 1.00 31.42 N ATOM 1013 CA HIS A 84 -6.847 -3.184 4.862 1.00 20.25 C ATOM 1014 C HIS A 84 -7.049 -2.970 3.365 1.00 30.24 C ATOM 1015 O HIS A 84 -8.090 -2.474 2.934 1.00 54.25 O ATOM 1016 CB HIS A 84 -7.845 -4.220 5.381 1.00 60.24 C ATOM 1017 CG HIS A 84 -7.488 -5.629 5.018 1.00 13.03 C ATOM 1018 ND1 HIS A 84 -7.486 -6.663 5.931 1.00 65.04 N ATOM 1019 CD2 HIS A 84 -7.123 -6.173 3.834 1.00 22.10 C ATOM 1020 CE1 HIS A 84 -7.132 -7.782 5.324 1.00 40.25 C ATOM 1021 NE2 HIS A 84 -6.907 -7.512 4.050 1.00 2.23 N ATOM 0 H HIS A 84 -7.894 -1.816 6.059 1.00 31.42 H new ATOM 0 HA HIS A 84 -5.834 -3.553 5.024 1.00 20.25 H new ATOM 0 HB2 HIS A 84 -7.910 -4.138 6.466 1.00 60.24 H new ATOM 0 HB3 HIS A 84 -8.834 -3.991 4.984 1.00 60.24 H new ATOM 0 HD1 HIS A 84 -7.721 -6.577 6.920 1.00 65.04 H new ATOM 0 HD2 HIS A 84 -7.021 -5.651 2.894 1.00 22.10 H new ATOM 0 HE1 HIS A 84 -7.042 -8.752 5.790 1.00 40.25 H new ATOM 1029 N LEU A 85 -6.047 -3.347 2.578 1.00 12.45 N ATOM 1030 CA LEU A 85 -6.114 -3.195 1.129 1.00 33.31 C ATOM 1031 C LEU A 85 -6.312 -4.546 0.449 1.00 21.31 C ATOM 1032 O LEU A 85 -5.352 -5.280 0.212 1.00 3.42 O ATOM 1033 CB LEU A 85 -4.840 -2.530 0.606 1.00 22.05 C ATOM 1034 CG LEU A 85 -3.688 -2.409 1.605 1.00 60.02 C ATOM 1035 CD1 LEU A 85 -2.362 -2.262 0.875 1.00 60.33 C ATOM 1036 CD2 LEU A 85 -3.916 -1.232 2.542 1.00 20.11 C ATOM 0 H LEU A 85 -5.179 -3.760 2.919 1.00 12.45 H new ATOM 0 HA LEU A 85 -6.969 -2.561 0.894 1.00 33.31 H new ATOM 0 HB2 LEU A 85 -4.488 -3.094 -0.258 1.00 22.05 H new ATOM 0 HB3 LEU A 85 -5.094 -1.531 0.252 1.00 22.05 H new ATOM 0 HG LEU A 85 -3.652 -3.321 2.201 1.00 60.02 H new ATOM 0 HD11 LEU A 85 -1.554 -2.177 1.602 1.00 60.33 H new ATOM 0 HD12 LEU A 85 -2.194 -3.136 0.246 1.00 60.33 H new ATOM 0 HD13 LEU A 85 -2.386 -1.367 0.253 1.00 60.33 H new ATOM 0 HD21 LEU A 85 -3.087 -1.161 3.246 1.00 20.11 H new ATOM 0 HD22 LEU A 85 -3.979 -0.312 1.961 1.00 20.11 H new ATOM 0 HD23 LEU A 85 -4.846 -1.379 3.091 1.00 20.11 H new ATOM 1048 N ASP A 86 -7.562 -4.868 0.136 1.00 12.20 N ATOM 1049 CA ASP A 86 -7.886 -6.129 -0.520 1.00 62.31 C ATOM 1050 C ASP A 86 -8.775 -5.896 -1.738 1.00 22.12 C ATOM 1051 O ASP A 86 -9.882 -5.370 -1.619 1.00 25.11 O ATOM 1052 CB ASP A 86 -8.581 -7.075 0.460 1.00 23.25 C ATOM 1053 CG ASP A 86 -9.511 -8.050 -0.235 1.00 43.44 C ATOM 1054 OD1 ASP A 86 -10.679 -7.683 -0.479 1.00 12.02 O ATOM 1055 OD2 ASP A 86 -9.070 -9.179 -0.536 1.00 32.10 O ATOM 0 H ASP A 86 -8.368 -4.273 0.326 1.00 12.20 H new ATOM 0 HA ASP A 86 -6.954 -6.585 -0.855 1.00 62.31 H new ATOM 0 HB2 ASP A 86 -7.828 -7.631 1.019 1.00 23.25 H new ATOM 0 HB3 ASP A 86 -9.148 -6.490 1.184 1.00 23.25 H new ATOM 1060 N ARG A 87 -8.282 -6.290 -2.908 1.00 14.23 N ATOM 1061 CA ARG A 87 -9.031 -6.121 -4.147 1.00 60.53 C ATOM 1062 C ARG A 87 -10.284 -6.993 -4.149 1.00 4.14 C ATOM 1063 O ARG A 87 -11.114 -6.903 -5.053 1.00 43.23 O ATOM 1064 CB ARG A 87 -8.153 -6.471 -5.350 1.00 45.20 C ATOM 1065 CG ARG A 87 -8.605 -5.816 -6.645 1.00 61.42 C ATOM 1066 CD ARG A 87 -9.345 -6.801 -7.538 1.00 3.53 C ATOM 1067 NE ARG A 87 -10.193 -6.123 -8.515 1.00 3.24 N ATOM 1068 CZ ARG A 87 -11.185 -6.719 -9.166 1.00 32.25 C ATOM 1069 NH1 ARG A 87 -11.453 -7.999 -8.944 1.00 51.32 N ATOM 1070 NH2 ARG A 87 -11.913 -6.035 -10.040 1.00 25.43 N ATOM 0 H ARG A 87 -7.368 -6.728 -3.023 1.00 14.23 H new ATOM 0 HA ARG A 87 -9.335 -5.077 -4.218 1.00 60.53 H new ATOM 0 HB2 ARG A 87 -7.127 -6.170 -5.140 1.00 45.20 H new ATOM 0 HB3 ARG A 87 -8.147 -7.553 -5.483 1.00 45.20 H new ATOM 0 HG2 ARG A 87 -9.254 -4.970 -6.419 1.00 61.42 H new ATOM 0 HG3 ARG A 87 -7.739 -5.421 -7.176 1.00 61.42 H new ATOM 0 HD2 ARG A 87 -8.624 -7.431 -8.059 1.00 3.53 H new ATOM 0 HD3 ARG A 87 -9.957 -7.460 -6.922 1.00 3.53 H new ATOM 0 HE ARG A 87 -10.013 -5.138 -8.708 1.00 3.24 H new ATOM 0 HH11 ARG A 87 -10.897 -8.527 -8.272 1.00 51.32 H new ATOM 0 HH12 ARG A 87 -12.216 -8.455 -9.445 1.00 51.32 H new ATOM 0 HH21 ARG A 87 -11.711 -5.050 -10.212 1.00 25.43 H new ATOM 0 HH22 ARG A 87 -12.675 -6.494 -10.539 1.00 25.43 H new ATOM 1084 N ASP A 88 -10.412 -7.836 -3.130 1.00 15.20 N ATOM 1085 CA ASP A 88 -11.564 -8.723 -3.013 1.00 23.31 C ATOM 1086 C ASP A 88 -12.740 -8.004 -2.360 1.00 71.23 C ATOM 1087 O ASP A 88 -13.552 -8.620 -1.670 1.00 33.31 O ATOM 1088 CB ASP A 88 -11.196 -9.966 -2.201 1.00 62.31 C ATOM 1089 CG ASP A 88 -12.050 -11.166 -2.560 1.00 73.01 C ATOM 1090 OD1 ASP A 88 -12.671 -11.149 -3.643 1.00 63.15 O ATOM 1091 OD2 ASP A 88 -12.099 -12.122 -1.757 1.00 53.42 O ATOM 0 H ASP A 88 -9.733 -7.924 -2.374 1.00 15.20 H new ATOM 0 HA ASP A 88 -11.860 -9.028 -4.017 1.00 23.31 H new ATOM 0 HB2 ASP A 88 -10.146 -10.208 -2.368 1.00 62.31 H new ATOM 0 HB3 ASP A 88 -11.308 -9.749 -1.139 1.00 62.31 H new ATOM 1096 N PHE A 89 -12.825 -6.697 -2.583 1.00 1.32 N ATOM 1097 CA PHE A 89 -13.901 -5.893 -2.015 1.00 2.23 C ATOM 1098 C PHE A 89 -13.438 -5.184 -0.745 1.00 41.44 C ATOM 1099 O PHE A 89 -13.945 -4.117 -0.398 1.00 5.22 O ATOM 1100 CB PHE A 89 -15.115 -6.772 -1.708 1.00 11.45 C ATOM 1101 CG PHE A 89 -15.637 -7.512 -2.905 1.00 74.32 C ATOM 1102 CD1 PHE A 89 -15.592 -6.938 -4.165 1.00 74.13 C ATOM 1103 CD2 PHE A 89 -16.174 -8.783 -2.771 1.00 0.32 C ATOM 1104 CE1 PHE A 89 -16.072 -7.617 -5.270 1.00 22.13 C ATOM 1105 CE2 PHE A 89 -16.654 -9.467 -3.871 1.00 54.34 C ATOM 1106 CZ PHE A 89 -16.604 -8.883 -5.122 1.00 55.22 C ATOM 0 H PHE A 89 -12.162 -6.172 -3.153 1.00 1.32 H new ATOM 0 HA PHE A 89 -14.184 -5.138 -2.749 1.00 2.23 H new ATOM 0 HB2 PHE A 89 -14.846 -7.492 -0.935 1.00 11.45 H new ATOM 0 HB3 PHE A 89 -15.911 -6.149 -1.301 1.00 11.45 H new ATOM 0 HD1 PHE A 89 -15.177 -5.948 -4.286 1.00 74.13 H new ATOM 0 HD2 PHE A 89 -16.218 -9.244 -1.795 1.00 0.32 H new ATOM 0 HE1 PHE A 89 -16.031 -7.158 -6.247 1.00 22.13 H new ATOM 0 HE2 PHE A 89 -17.068 -10.457 -3.753 1.00 54.34 H new ATOM 0 HZ PHE A 89 -16.980 -9.416 -5.983 1.00 55.22 H new ATOM 1116 N ARG A 90 -12.473 -5.785 -0.057 1.00 43.34 N ATOM 1117 CA ARG A 90 -11.942 -5.213 1.174 1.00 13.41 C ATOM 1118 C ARG A 90 -10.736 -4.324 0.885 1.00 25.54 C ATOM 1119 O ARG A 90 -9.762 -4.318 1.638 1.00 24.34 O ATOM 1120 CB ARG A 90 -11.550 -6.323 2.150 1.00 64.41 C ATOM 1121 CG ARG A 90 -12.728 -7.152 2.636 1.00 43.14 C ATOM 1122 CD ARG A 90 -13.715 -6.307 3.425 1.00 20.05 C ATOM 1123 NE ARG A 90 -14.893 -7.072 3.826 1.00 62.35 N ATOM 1124 CZ ARG A 90 -15.876 -7.396 2.993 1.00 32.34 C ATOM 1125 NH1 ARG A 90 -15.823 -7.024 1.722 1.00 40.10 N ATOM 1126 NH2 ARG A 90 -16.915 -8.095 3.432 1.00 14.24 N ATOM 0 H ARG A 90 -12.043 -6.668 -0.331 1.00 43.34 H new ATOM 0 HA ARG A 90 -12.722 -4.601 1.626 1.00 13.41 H new ATOM 0 HB2 ARG A 90 -10.828 -6.981 1.667 1.00 64.41 H new ATOM 0 HB3 ARG A 90 -11.050 -5.878 3.011 1.00 64.41 H new ATOM 0 HG2 ARG A 90 -13.234 -7.603 1.782 1.00 43.14 H new ATOM 0 HG3 ARG A 90 -12.367 -7.969 3.260 1.00 43.14 H new ATOM 0 HD2 ARG A 90 -13.223 -5.908 4.312 1.00 20.05 H new ATOM 0 HD3 ARG A 90 -14.025 -5.454 2.822 1.00 20.05 H new ATOM 0 HE ARG A 90 -14.965 -7.374 4.798 1.00 62.35 H new ATOM 0 HH11 ARG A 90 -15.026 -6.487 1.381 1.00 40.10 H new ATOM 0 HH12 ARG A 90 -16.579 -7.275 1.085 1.00 40.10 H new ATOM 0 HH21 ARG A 90 -16.959 -8.384 4.409 1.00 14.24 H new ATOM 0 HH22 ARG A 90 -17.669 -8.344 2.792 1.00 14.24 H new ATOM 1140 N VAL A 91 -10.807 -3.576 -0.211 1.00 0.34 N ATOM 1141 CA VAL A 91 -9.721 -2.683 -0.599 1.00 73.40 C ATOM 1142 C VAL A 91 -9.480 -1.617 0.463 1.00 1.22 C ATOM 1143 O VAL A 91 -8.336 -1.274 0.766 1.00 52.43 O ATOM 1144 CB VAL A 91 -10.015 -1.995 -1.945 1.00 12.41 C ATOM 1145 CG1 VAL A 91 -9.555 -2.867 -3.103 1.00 53.10 C ATOM 1146 CG2 VAL A 91 -11.497 -1.672 -2.065 1.00 41.24 C ATOM 0 H VAL A 91 -11.605 -3.570 -0.846 1.00 0.34 H new ATOM 0 HA VAL A 91 -8.827 -3.297 -0.701 1.00 73.40 H new ATOM 0 HB VAL A 91 -9.458 -1.059 -1.984 1.00 12.41 H new ATOM 0 HG11 VAL A 91 -9.771 -2.364 -4.046 1.00 53.10 H new ATOM 0 HG12 VAL A 91 -8.482 -3.042 -3.023 1.00 53.10 H new ATOM 0 HG13 VAL A 91 -10.082 -3.821 -3.072 1.00 53.10 H new ATOM 0 HG21 VAL A 91 -11.687 -1.186 -3.022 1.00 41.24 H new ATOM 0 HG22 VAL A 91 -12.076 -2.593 -2.004 1.00 41.24 H new ATOM 0 HG23 VAL A 91 -11.791 -1.005 -1.255 1.00 41.24 H new ATOM 1156 N LEU A 92 -10.564 -1.096 1.027 1.00 1.33 N ATOM 1157 CA LEU A 92 -10.471 -0.067 2.058 1.00 61.32 C ATOM 1158 C LEU A 92 -11.035 -0.571 3.382 1.00 21.14 C ATOM 1159 O LEU A 92 -11.554 0.207 4.183 1.00 23.45 O ATOM 1160 CB LEU A 92 -11.219 1.192 1.618 1.00 51.41 C ATOM 1161 CG LEU A 92 -10.607 1.962 0.447 1.00 3.54 C ATOM 1162 CD1 LEU A 92 -9.142 2.271 0.719 1.00 74.40 C ATOM 1163 CD2 LEU A 92 -10.757 1.175 -0.846 1.00 40.00 C ATOM 0 H LEU A 92 -11.517 -1.369 0.788 1.00 1.33 H new ATOM 0 HA LEU A 92 -9.418 0.175 2.202 1.00 61.32 H new ATOM 0 HB2 LEU A 92 -12.237 0.910 1.349 1.00 51.41 H new ATOM 0 HB3 LEU A 92 -11.290 1.865 2.472 1.00 51.41 H new ATOM 0 HG LEU A 92 -11.142 2.905 0.338 1.00 3.54 H new ATOM 0 HD11 LEU A 92 -8.723 2.819 -0.125 1.00 74.40 H new ATOM 0 HD12 LEU A 92 -9.059 2.876 1.622 1.00 74.40 H new ATOM 0 HD13 LEU A 92 -8.593 1.339 0.855 1.00 74.40 H new ATOM 0 HD21 LEU A 92 -10.316 1.738 -1.668 1.00 40.00 H new ATOM 0 HD22 LEU A 92 -10.248 0.216 -0.749 1.00 40.00 H new ATOM 0 HD23 LEU A 92 -11.815 1.006 -1.048 1.00 40.00 H new ATOM 1175 N ASP A 93 -10.928 -1.876 3.607 1.00 61.02 N ATOM 1176 CA ASP A 93 -11.424 -2.484 4.836 1.00 12.30 C ATOM 1177 C ASP A 93 -10.530 -2.125 6.019 1.00 54.10 C ATOM 1178 O ASP A 93 -9.823 -2.977 6.558 1.00 43.31 O ATOM 1179 CB ASP A 93 -11.503 -4.003 4.683 1.00 33.50 C ATOM 1180 CG ASP A 93 -11.866 -4.698 5.981 1.00 50.10 C ATOM 1181 OD1 ASP A 93 -12.640 -4.115 6.770 1.00 63.52 O ATOM 1182 OD2 ASP A 93 -11.377 -5.824 6.208 1.00 61.15 O ATOM 0 H ASP A 93 -10.502 -2.533 2.954 1.00 61.02 H new ATOM 0 HA ASP A 93 -12.424 -2.094 5.028 1.00 12.30 H new ATOM 0 HB2 ASP A 93 -12.243 -4.251 3.922 1.00 33.50 H new ATOM 0 HB3 ASP A 93 -10.544 -4.380 4.328 1.00 33.50 H new ATOM 1187 N THR A 94 -10.566 -0.857 6.418 1.00 32.45 N ATOM 1188 CA THR A 94 -9.758 -0.385 7.536 1.00 53.14 C ATOM 1189 C THR A 94 -10.392 -0.761 8.870 1.00 23.41 C ATOM 1190 O THR A 94 -11.582 -1.064 8.938 1.00 33.33 O ATOM 1191 CB THR A 94 -9.567 1.143 7.484 1.00 62.40 C ATOM 1192 OG1 THR A 94 -8.478 1.529 8.330 1.00 30.32 O ATOM 1193 CG2 THR A 94 -10.834 1.862 7.920 1.00 73.02 C ATOM 0 H THR A 94 -11.146 -0.139 5.984 1.00 32.45 H new ATOM 0 HA THR A 94 -8.785 -0.869 7.450 1.00 53.14 H new ATOM 0 HB THR A 94 -9.345 1.425 6.455 1.00 62.40 H new ATOM 0 HG1 THR A 94 -8.197 0.762 8.872 1.00 30.32 H new ATOM 0 HG21 THR A 94 -10.675 2.939 7.875 1.00 73.02 H new ATOM 0 HG22 THR A 94 -11.654 1.588 7.256 1.00 73.02 H new ATOM 0 HG23 THR A 94 -11.082 1.574 8.942 1.00 73.02 H new ATOM 1201 N GLU A 95 -9.588 -0.739 9.929 1.00 62.33 N ATOM 1202 CA GLU A 95 -10.072 -1.079 11.262 1.00 44.03 C ATOM 1203 C GLU A 95 -9.369 -0.241 12.326 1.00 43.34 C ATOM 1204 O GLU A 95 -8.141 -0.162 12.379 1.00 32.54 O ATOM 1205 CB GLU A 95 -9.854 -2.567 11.543 1.00 34.15 C ATOM 1206 CG GLU A 95 -11.090 -3.272 12.078 1.00 4.03 C ATOM 1207 CD GLU A 95 -11.079 -4.762 11.797 1.00 41.12 C ATOM 1208 OE1 GLU A 95 -9.995 -5.301 11.492 1.00 43.14 O ATOM 1209 OE2 GLU A 95 -12.156 -5.389 11.882 1.00 2.10 O ATOM 0 H GLU A 95 -8.600 -0.490 9.890 1.00 62.33 H new ATOM 0 HA GLU A 95 -11.139 -0.862 11.300 1.00 44.03 H new ATOM 0 HB2 GLU A 95 -9.534 -3.059 10.624 1.00 34.15 H new ATOM 0 HB3 GLU A 95 -9.043 -2.677 12.263 1.00 34.15 H new ATOM 0 HG2 GLU A 95 -11.160 -3.109 13.154 1.00 4.03 H new ATOM 0 HG3 GLU A 95 -11.979 -2.828 11.630 1.00 4.03 H new ATOM 1216 N PRO A 96 -10.165 0.402 13.193 1.00 43.32 N ATOM 1217 CA PRO A 96 -9.642 1.246 14.271 1.00 3.52 C ATOM 1218 C PRO A 96 -8.948 0.434 15.359 1.00 34.32 C ATOM 1219 O PRO A 96 -9.595 -0.075 16.274 1.00 71.40 O ATOM 1220 CB PRO A 96 -10.895 1.927 14.828 1.00 23.24 C ATOM 1221 CG PRO A 96 -12.010 0.998 14.494 1.00 34.24 C ATOM 1222 CD PRO A 96 -11.636 0.354 13.188 1.00 54.32 C ATOM 0 HA PRO A 96 -8.885 1.943 13.912 1.00 3.52 H new ATOM 0 HB2 PRO A 96 -10.817 2.081 15.904 1.00 23.24 H new ATOM 0 HB3 PRO A 96 -11.047 2.907 14.376 1.00 23.24 H new ATOM 0 HG2 PRO A 96 -12.141 0.249 15.275 1.00 34.24 H new ATOM 0 HG3 PRO A 96 -12.954 1.536 14.407 1.00 34.24 H new ATOM 0 HD2 PRO A 96 -12.004 -0.670 13.125 1.00 54.32 H new ATOM 0 HD3 PRO A 96 -12.053 0.896 12.339 1.00 54.32 H new ATOM 1230 N ALA A 97 -7.629 0.317 15.254 1.00 62.44 N ATOM 1231 CA ALA A 97 -6.848 -0.432 16.230 1.00 23.33 C ATOM 1232 C ALA A 97 -6.905 0.230 17.603 1.00 63.22 C ATOM 1233 O ALA A 97 -6.341 1.305 17.808 1.00 55.35 O ATOM 1234 CB ALA A 97 -5.405 -0.563 15.764 1.00 12.44 C ATOM 0 H ALA A 97 -7.078 0.732 14.502 1.00 62.44 H new ATOM 0 HA ALA A 97 -7.281 -1.428 16.318 1.00 23.33 H new ATOM 0 HB1 ALA A 97 -4.834 -1.125 16.503 1.00 12.44 H new ATOM 0 HB2 ALA A 97 -5.377 -1.087 14.809 1.00 12.44 H new ATOM 0 HB3 ALA A 97 -4.969 0.429 15.646 1.00 12.44 H new ATOM 1240 N ASP A 98 -7.588 -0.419 18.539 1.00 13.52 N ATOM 1241 CA ASP A 98 -7.718 0.108 19.893 1.00 34.41 C ATOM 1242 C ASP A 98 -6.840 -0.673 20.866 1.00 12.11 C ATOM 1243 O ASP A 98 -7.045 -0.625 22.078 1.00 21.13 O ATOM 1244 CB ASP A 98 -9.178 0.052 20.347 1.00 70.23 C ATOM 1245 CG ASP A 98 -9.452 0.961 21.528 1.00 12.13 C ATOM 1246 OD1 ASP A 98 -8.603 1.829 21.818 1.00 40.42 O ATOM 1247 OD2 ASP A 98 -10.516 0.804 22.164 1.00 22.12 O ATOM 0 H ASP A 98 -8.060 -1.310 18.386 1.00 13.52 H new ATOM 0 HA ASP A 98 -7.387 1.147 19.886 1.00 34.41 H new ATOM 0 HB2 ASP A 98 -9.825 0.335 19.517 1.00 70.23 H new ATOM 0 HB3 ASP A 98 -9.433 -0.973 20.615 1.00 70.23 H new ATOM 1252 N GLY A 99 -5.862 -1.393 20.326 1.00 45.33 N ATOM 1253 CA GLY A 99 -4.968 -2.174 21.160 1.00 23.31 C ATOM 1254 C GLY A 99 -5.514 -3.556 21.459 1.00 62.54 C ATOM 1255 O GLY A 99 -4.766 -4.458 21.839 1.00 14.44 O ATOM 0 H GLY A 99 -5.673 -1.449 19.325 1.00 45.33 H new ATOM 0 HA2 GLY A 99 -4.002 -2.268 20.664 1.00 23.31 H new ATOM 0 HA3 GLY A 99 -4.795 -1.645 22.097 1.00 23.31 H new ATOM 1259 N ASP A 100 -6.820 -3.724 21.287 1.00 33.24 N ATOM 1260 CA ASP A 100 -7.466 -5.007 21.542 1.00 54.42 C ATOM 1261 C ASP A 100 -7.591 -5.817 20.255 1.00 24.14 C ATOM 1262 O ASP A 100 -7.317 -7.016 20.236 1.00 22.44 O ATOM 1263 CB ASP A 100 -8.849 -4.792 22.159 1.00 10.34 C ATOM 1264 CG ASP A 100 -8.908 -5.222 23.612 1.00 64.12 C ATOM 1265 OD1 ASP A 100 -7.918 -4.994 24.339 1.00 62.51 O ATOM 1266 OD2 ASP A 100 -9.943 -5.786 24.022 1.00 55.22 O ATOM 0 H ASP A 100 -7.453 -2.988 20.972 1.00 33.24 H new ATOM 0 HA ASP A 100 -6.846 -5.565 22.244 1.00 54.42 H new ATOM 0 HB2 ASP A 100 -9.117 -3.738 22.084 1.00 10.34 H new ATOM 0 HB3 ASP A 100 -9.590 -5.351 21.587 1.00 10.34 H new ATOM 1271 N GLY A 101 -8.007 -5.153 19.181 1.00 22.11 N ATOM 1272 CA GLY A 101 -8.161 -5.828 17.906 1.00 53.13 C ATOM 1273 C GLY A 101 -9.475 -6.577 17.802 1.00 61.14 C ATOM 1274 O GLY A 101 -9.598 -7.524 17.026 1.00 42.13 O ATOM 0 H GLY A 101 -8.240 -4.160 19.171 1.00 22.11 H new ATOM 0 HA2 GLY A 101 -8.099 -5.096 17.101 1.00 53.13 H new ATOM 0 HA3 GLY A 101 -7.336 -6.526 17.766 1.00 53.13 H new ATOM 1278 N GLY A 102 -10.460 -6.153 18.587 1.00 33.33 N ATOM 1279 CA GLY A 102 -11.758 -6.803 18.566 1.00 23.11 C ATOM 1280 C GLY A 102 -11.977 -7.699 19.769 1.00 60.42 C ATOM 1281 O GLY A 102 -12.497 -7.258 20.793 1.00 33.23 O ATOM 0 H GLY A 102 -10.383 -5.371 19.237 1.00 33.33 H new ATOM 0 HA2 GLY A 102 -12.540 -6.045 18.534 1.00 23.11 H new ATOM 0 HA3 GLY A 102 -11.850 -7.394 17.655 1.00 23.11 H new TER 1285 GLY A 102