USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=13 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 Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -83:sc= -0.333! USER MOD Single : A 19 ASN : amide:sc= -0.0174 X(o=-0.017,f=0) USER MOD Single : A 21 TYR OH : rot -36:sc= 0.793 USER MOD Single : A 23 GLN : amide:sc= -0.689 K(o=-0.69,f=-4.1!) USER MOD Single : A 26 MET CE :methyl -150:sc= -2.72 (180deg=-5.06!) USER MOD Single : A 35 THR OG1 : rot -100:sc= -1.46 USER MOD Single : A 48 GLN : amide:sc= -1.16 K(o=-1.2,f=-1.7) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 33:sc= 0.77 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -41:sc= -8.66! USER MOD Single : A 79 THR OG1 : rot 180:sc= -1.45! USER MOD Single : A 84 HIS : no HD1:sc= -2.33 K(o=-2.3,f=-1.3) USER MOD Single : A 94 THR OG1 : rot 161:sc= -5.05! USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 1.388 -0.330 -0.040 1.00 11.33 N ATOM 2 CA ASP A 11 2.155 -0.253 -1.278 1.00 12.33 C ATOM 3 C ASP A 11 1.991 -1.528 -2.098 1.00 64.33 C ATOM 4 O ASP A 11 2.005 -1.493 -3.329 1.00 11.21 O ATOM 5 CB ASP A 11 3.634 -0.014 -0.972 1.00 63.01 C ATOM 6 CG ASP A 11 4.480 0.061 -2.228 1.00 41.11 C ATOM 7 OD1 ASP A 11 3.980 0.577 -3.250 1.00 22.45 O ATOM 8 OD2 ASP A 11 5.642 -0.397 -2.190 1.00 14.41 O ATOM 0 HA ASP A 11 1.774 0.584 -1.862 1.00 12.33 H new ATOM 0 HB2 ASP A 11 3.740 0.914 -0.410 1.00 63.01 H new ATOM 0 HB3 ASP A 11 4.005 -0.817 -0.335 1.00 63.01 H new ATOM 13 N TYR A 12 1.838 -2.653 -1.409 1.00 24.41 N ATOM 14 CA TYR A 12 1.676 -3.941 -2.074 1.00 2.04 C ATOM 15 C TYR A 12 0.338 -4.013 -2.802 1.00 74.11 C ATOM 16 O TYR A 12 0.262 -4.477 -3.940 1.00 53.52 O ATOM 17 CB TYR A 12 1.778 -5.080 -1.057 1.00 44.44 C ATOM 18 CG TYR A 12 3.074 -5.082 -0.279 1.00 5.12 C ATOM 19 CD1 TYR A 12 4.281 -5.378 -0.901 1.00 40.34 C ATOM 20 CD2 TYR A 12 3.093 -4.789 1.079 1.00 32.22 C ATOM 21 CE1 TYR A 12 5.468 -5.382 -0.194 1.00 53.31 C ATOM 22 CE2 TYR A 12 4.275 -4.789 1.794 1.00 32.41 C ATOM 23 CZ TYR A 12 5.459 -5.086 1.153 1.00 25.42 C ATOM 24 OH TYR A 12 6.639 -5.089 1.862 1.00 11.01 O ATOM 0 H TYR A 12 1.823 -2.700 -0.390 1.00 24.41 H new ATOM 0 HA TYR A 12 2.475 -4.046 -2.808 1.00 2.04 H new ATOM 0 HB2 TYR A 12 0.945 -5.008 -0.358 1.00 44.44 H new ATOM 0 HB3 TYR A 12 1.675 -6.032 -1.578 1.00 44.44 H new ATOM 0 HD1 TYR A 12 4.291 -5.609 -1.956 1.00 40.34 H new ATOM 0 HD2 TYR A 12 2.167 -4.557 1.585 1.00 32.22 H new ATOM 0 HE1 TYR A 12 6.397 -5.615 -0.693 1.00 53.31 H new ATOM 0 HE2 TYR A 12 4.272 -4.558 2.849 1.00 32.41 H new ATOM 0 HH TYR A 12 6.459 -4.859 2.797 1.00 11.01 H new ATOM 34 N ASP A 13 -0.716 -3.551 -2.138 1.00 4.24 N ATOM 35 CA ASP A 13 -2.052 -3.560 -2.721 1.00 32.41 C ATOM 36 C ASP A 13 -2.096 -2.718 -3.992 1.00 73.42 C ATOM 37 O ASP A 13 -1.057 -2.335 -4.531 1.00 14.14 O ATOM 38 CB ASP A 13 -3.076 -3.037 -1.712 1.00 62.20 C ATOM 39 CG ASP A 13 -3.152 -1.523 -1.697 1.00 74.12 C ATOM 40 OD1 ASP A 13 -2.155 -0.883 -1.305 1.00 43.11 O ATOM 41 OD2 ASP A 13 -4.210 -0.978 -2.077 1.00 34.43 O ATOM 0 H ASP A 13 -0.671 -3.165 -1.195 1.00 4.24 H new ATOM 0 HA ASP A 13 -2.302 -4.589 -2.980 1.00 32.41 H new ATOM 0 HB2 ASP A 13 -4.058 -3.445 -1.951 1.00 62.20 H new ATOM 0 HB3 ASP A 13 -2.816 -3.395 -0.716 1.00 62.20 H new ATOM 46 N ILE A 14 -3.305 -2.436 -4.467 1.00 3.22 N ATOM 47 CA ILE A 14 -3.484 -1.640 -5.675 1.00 5.44 C ATOM 48 C ILE A 14 -3.258 -0.158 -5.395 1.00 1.35 C ATOM 49 O ILE A 14 -3.920 0.448 -4.552 1.00 13.20 O ATOM 50 CB ILE A 14 -4.891 -1.829 -6.271 1.00 22.32 C ATOM 51 CG1 ILE A 14 -5.110 -3.292 -6.662 1.00 65.24 C ATOM 52 CG2 ILE A 14 -5.083 -0.919 -7.474 1.00 54.32 C ATOM 53 CD1 ILE A 14 -4.086 -3.814 -7.647 1.00 53.40 C ATOM 0 H ILE A 14 -4.175 -2.747 -4.034 1.00 3.22 H new ATOM 0 HA ILE A 14 -2.744 -1.989 -6.395 1.00 5.44 H new ATOM 0 HB ILE A 14 -5.629 -1.560 -5.515 1.00 22.32 H new ATOM 0 HG12 ILE A 14 -5.084 -3.908 -5.763 1.00 65.24 H new ATOM 0 HG13 ILE A 14 -6.105 -3.399 -7.094 1.00 65.24 H new ATOM 0 HG21 ILE A 14 -6.082 -1.064 -7.884 1.00 54.32 H new ATOM 0 HG22 ILE A 14 -4.964 0.120 -7.167 1.00 54.32 H new ATOM 0 HG23 ILE A 14 -4.340 -1.160 -8.235 1.00 54.32 H new ATOM 0 HD11 ILE A 14 -4.303 -4.857 -7.879 1.00 53.40 H new ATOM 0 HD12 ILE A 14 -4.127 -3.223 -8.562 1.00 53.40 H new ATOM 0 HD13 ILE A 14 -3.090 -3.739 -7.210 1.00 53.40 H new ATOM 65 N PRO A 15 -2.301 0.442 -6.118 1.00 53.34 N ATOM 66 CA PRO A 15 -1.967 1.862 -5.967 1.00 74.35 C ATOM 67 C PRO A 15 -3.072 2.775 -6.488 1.00 45.54 C ATOM 68 O PRO A 15 -2.889 3.989 -6.596 1.00 72.31 O ATOM 69 CB PRO A 15 -0.700 2.020 -6.811 1.00 71.33 C ATOM 70 CG PRO A 15 -0.780 0.929 -7.823 1.00 21.34 C ATOM 71 CD PRO A 15 -1.472 -0.219 -7.140 1.00 52.42 C ATOM 0 HA PRO A 15 -1.836 2.142 -4.922 1.00 74.35 H new ATOM 0 HB2 PRO A 15 -0.661 3.000 -7.287 1.00 71.33 H new ATOM 0 HB3 PRO A 15 0.197 1.927 -6.199 1.00 71.33 H new ATOM 0 HG2 PRO A 15 -1.336 1.253 -8.703 1.00 21.34 H new ATOM 0 HG3 PRO A 15 0.214 0.639 -8.164 1.00 21.34 H new ATOM 0 HD2 PRO A 15 -2.079 -0.795 -7.838 1.00 52.42 H new ATOM 0 HD3 PRO A 15 -0.758 -0.910 -6.693 1.00 52.42 H new ATOM 79 N THR A 16 -4.219 2.186 -6.811 1.00 23.24 N ATOM 80 CA THR A 16 -5.352 2.947 -7.321 1.00 32.41 C ATOM 81 C THR A 16 -6.604 2.692 -6.490 1.00 34.33 C ATOM 82 O THR A 16 -7.714 2.634 -7.020 1.00 52.35 O ATOM 83 CB THR A 16 -5.647 2.598 -8.792 1.00 25.50 C ATOM 84 OG1 THR A 16 -4.485 2.022 -9.401 1.00 33.13 O ATOM 85 CG2 THR A 16 -6.071 3.836 -9.567 1.00 62.45 C ATOM 0 H THR A 16 -4.388 1.183 -6.728 1.00 23.24 H new ATOM 0 HA THR A 16 -5.081 4.001 -7.252 1.00 32.41 H new ATOM 0 HB THR A 16 -6.464 1.877 -8.815 1.00 25.50 H new ATOM 0 HG1 THR A 16 -4.681 1.801 -10.335 1.00 33.13 H new ATOM 0 HG21 THR A 16 -6.274 3.565 -10.603 1.00 62.45 H new ATOM 0 HG22 THR A 16 -6.972 4.255 -9.119 1.00 62.45 H new ATOM 0 HG23 THR A 16 -5.272 4.576 -9.536 1.00 62.45 H new ATOM 93 N THR A 17 -6.420 2.540 -5.182 1.00 33.12 N ATOM 94 CA THR A 17 -7.535 2.291 -4.277 1.00 32.32 C ATOM 95 C THR A 17 -8.093 3.595 -3.719 1.00 41.22 C ATOM 96 O THR A 17 -7.779 4.677 -4.215 1.00 24.31 O ATOM 97 CB THR A 17 -7.116 1.383 -3.105 1.00 62.45 C ATOM 98 OG1 THR A 17 -5.688 1.316 -3.024 1.00 42.11 O ATOM 99 CG2 THR A 17 -7.685 -0.018 -3.276 1.00 0.22 C ATOM 0 H THR A 17 -5.509 2.585 -4.726 1.00 33.12 H new ATOM 0 HA THR A 17 -8.307 1.788 -4.859 1.00 32.32 H new ATOM 0 HB THR A 17 -7.513 1.810 -2.184 1.00 62.45 H new ATOM 0 HG1 THR A 17 -5.355 0.649 -3.660 1.00 42.11 H new ATOM 0 HG21 THR A 17 -7.376 -0.641 -2.437 1.00 0.22 H new ATOM 0 HG22 THR A 17 -8.773 0.033 -3.309 1.00 0.22 H new ATOM 0 HG23 THR A 17 -7.314 -0.451 -4.205 1.00 0.22 H new ATOM 107 N GLU A 18 -8.921 3.485 -2.685 1.00 53.43 N ATOM 108 CA GLU A 18 -9.522 4.658 -2.061 1.00 54.10 C ATOM 109 C GLU A 18 -8.455 5.541 -1.421 1.00 21.13 C ATOM 110 O GLU A 18 -7.743 6.270 -2.109 1.00 50.43 O ATOM 111 CB GLU A 18 -10.548 4.233 -1.008 1.00 2.53 C ATOM 112 CG GLU A 18 -11.879 3.797 -1.596 1.00 31.04 C ATOM 113 CD GLU A 18 -12.704 4.964 -2.103 1.00 4.10 C ATOM 114 OE1 GLU A 18 -12.891 5.935 -1.340 1.00 75.41 O ATOM 115 OE2 GLU A 18 -13.161 4.907 -3.264 1.00 24.51 O ATOM 0 H GLU A 18 -9.191 2.597 -2.262 1.00 53.43 H new ATOM 0 HA GLU A 18 -10.026 5.233 -2.838 1.00 54.10 H new ATOM 0 HB2 GLU A 18 -10.134 3.414 -0.420 1.00 2.53 H new ATOM 0 HB3 GLU A 18 -10.718 5.063 -0.323 1.00 2.53 H new ATOM 0 HG2 GLU A 18 -11.699 3.101 -2.415 1.00 31.04 H new ATOM 0 HG3 GLU A 18 -12.447 3.257 -0.838 1.00 31.04 H new ATOM 122 N ASN A 19 -8.351 5.468 -0.098 1.00 11.44 N ATOM 123 CA ASN A 19 -7.372 6.261 0.637 1.00 41.32 C ATOM 124 C ASN A 19 -6.125 5.437 0.945 1.00 55.21 C ATOM 125 O ASN A 19 -5.241 5.880 1.679 1.00 62.02 O ATOM 126 CB ASN A 19 -7.983 6.788 1.937 1.00 50.02 C ATOM 127 CG ASN A 19 -8.170 8.293 1.920 1.00 72.24 C ATOM 128 OD1 ASN A 19 -7.654 9.004 2.782 1.00 33.44 O ATOM 129 ND2 ASN A 19 -8.912 8.785 0.934 1.00 3.42 N ATOM 0 H ASN A 19 -8.932 4.868 0.487 1.00 11.44 H new ATOM 0 HA ASN A 19 -7.083 7.105 0.011 1.00 41.32 H new ATOM 0 HB2 ASN A 19 -8.947 6.307 2.103 1.00 50.02 H new ATOM 0 HB3 ASN A 19 -7.341 6.514 2.774 1.00 50.02 H new ATOM 0 HD21 ASN A 19 -9.073 9.790 0.870 1.00 3.42 H new ATOM 0 HD22 ASN A 19 -9.320 8.158 0.241 1.00 3.42 H new ATOM 136 N LEU A 20 -6.062 4.237 0.379 1.00 21.02 N ATOM 137 CA LEU A 20 -4.923 3.350 0.592 1.00 15.13 C ATOM 138 C LEU A 20 -3.646 3.958 0.023 1.00 64.11 C ATOM 139 O LEU A 20 -2.542 3.504 0.325 1.00 22.41 O ATOM 140 CB LEU A 20 -5.185 1.988 -0.053 1.00 33.14 C ATOM 141 CG LEU A 20 -6.132 1.057 0.706 1.00 52.13 C ATOM 142 CD1 LEU A 20 -7.029 1.854 1.640 1.00 21.05 C ATOM 143 CD2 LEU A 20 -6.967 0.238 -0.267 1.00 72.34 C ATOM 0 H LEU A 20 -6.785 3.856 -0.231 1.00 21.02 H new ATOM 0 HA LEU A 20 -4.793 3.217 1.666 1.00 15.13 H new ATOM 0 HB2 LEU A 20 -5.592 2.153 -1.051 1.00 33.14 H new ATOM 0 HB3 LEU A 20 -4.230 1.478 -0.179 1.00 33.14 H new ATOM 0 HG LEU A 20 -5.533 0.372 1.307 1.00 52.13 H new ATOM 0 HD11 LEU A 20 -7.696 1.175 2.171 1.00 21.05 H new ATOM 0 HD12 LEU A 20 -6.415 2.396 2.359 1.00 21.05 H new ATOM 0 HD13 LEU A 20 -7.620 2.563 1.060 1.00 21.05 H new ATOM 0 HD21 LEU A 20 -7.635 -0.419 0.290 1.00 72.34 H new ATOM 0 HD22 LEU A 20 -7.556 0.907 -0.894 1.00 72.34 H new ATOM 0 HD23 LEU A 20 -6.309 -0.362 -0.895 1.00 72.34 H new ATOM 155 N TYR A 21 -3.803 4.988 -0.800 1.00 42.34 N ATOM 156 CA TYR A 21 -2.662 5.659 -1.412 1.00 63.33 C ATOM 157 C TYR A 21 -2.236 6.870 -0.589 1.00 2.32 C ATOM 158 O TYR A 21 -1.356 7.631 -0.992 1.00 3.24 O ATOM 159 CB TYR A 21 -3.003 6.092 -2.839 1.00 11.21 C ATOM 160 CG TYR A 21 -3.865 7.333 -2.905 1.00 22.10 C ATOM 161 CD1 TYR A 21 -3.297 8.600 -2.855 1.00 0.24 C ATOM 162 CD2 TYR A 21 -5.246 7.238 -3.017 1.00 13.23 C ATOM 163 CE1 TYR A 21 -4.080 9.737 -2.914 1.00 32.41 C ATOM 164 CE2 TYR A 21 -6.037 8.369 -3.078 1.00 52.12 C ATOM 165 CZ TYR A 21 -5.450 9.616 -3.026 1.00 64.12 C ATOM 166 OH TYR A 21 -6.234 10.745 -3.086 1.00 31.14 O ATOM 0 H TYR A 21 -4.710 5.377 -1.059 1.00 42.34 H new ATOM 0 HA TYR A 21 -1.832 4.953 -1.442 1.00 63.33 H new ATOM 0 HB2 TYR A 21 -2.078 6.273 -3.386 1.00 11.21 H new ATOM 0 HB3 TYR A 21 -3.518 5.275 -3.345 1.00 11.21 H new ATOM 0 HD1 TYR A 21 -2.225 8.698 -2.769 1.00 0.24 H new ATOM 0 HD2 TYR A 21 -5.709 6.263 -3.057 1.00 13.23 H new ATOM 0 HE1 TYR A 21 -3.623 10.714 -2.873 1.00 32.41 H new ATOM 0 HE2 TYR A 21 -7.109 8.277 -3.166 1.00 52.12 H new ATOM 0 HH TYR A 21 -5.854 11.439 -2.508 1.00 31.14 H new ATOM 176 N PHE A 22 -2.867 7.043 0.568 1.00 22.40 N ATOM 177 CA PHE A 22 -2.555 8.161 1.450 1.00 42.31 C ATOM 178 C PHE A 22 -1.814 7.682 2.695 1.00 42.22 C ATOM 179 O PHE A 22 -0.841 8.300 3.126 1.00 1.21 O ATOM 180 CB PHE A 22 -3.837 8.892 1.855 1.00 23.31 C ATOM 181 CG PHE A 22 -4.094 10.139 1.058 1.00 24.32 C ATOM 182 CD1 PHE A 22 -3.158 11.160 1.024 1.00 61.10 C ATOM 183 CD2 PHE A 22 -5.271 10.290 0.344 1.00 72.32 C ATOM 184 CE1 PHE A 22 -3.391 12.309 0.291 1.00 30.43 C ATOM 185 CE2 PHE A 22 -5.510 11.436 -0.391 1.00 24.21 C ATOM 186 CZ PHE A 22 -4.569 12.447 -0.416 1.00 60.02 C ATOM 0 H PHE A 22 -3.598 6.423 0.916 1.00 22.40 H new ATOM 0 HA PHE A 22 -1.908 8.850 0.907 1.00 42.31 H new ATOM 0 HB2 PHE A 22 -4.684 8.215 1.739 1.00 23.31 H new ATOM 0 HB3 PHE A 22 -3.779 9.152 2.912 1.00 23.31 H new ATOM 0 HD1 PHE A 22 -2.236 11.057 1.576 1.00 61.10 H new ATOM 0 HD2 PHE A 22 -6.011 9.503 0.362 1.00 72.32 H new ATOM 0 HE1 PHE A 22 -2.653 13.097 0.271 1.00 30.43 H new ATOM 0 HE2 PHE A 22 -6.431 11.541 -0.945 1.00 24.21 H new ATOM 0 HZ PHE A 22 -4.754 13.344 -0.988 1.00 60.02 H new ATOM 196 N GLN A 23 -2.282 6.578 3.267 1.00 73.34 N ATOM 197 CA GLN A 23 -1.665 6.016 4.463 1.00 52.45 C ATOM 198 C GLN A 23 -0.244 5.545 4.172 1.00 72.03 C ATOM 199 O GLN A 23 0.700 5.926 4.862 1.00 44.04 O ATOM 200 CB GLN A 23 -2.502 4.852 4.996 1.00 53.44 C ATOM 201 CG GLN A 23 -3.981 5.178 5.130 1.00 31.01 C ATOM 202 CD GLN A 23 -4.226 6.498 5.834 1.00 34.23 C ATOM 203 OE1 GLN A 23 -3.993 7.568 5.272 1.00 63.25 O ATOM 204 NE2 GLN A 23 -4.700 6.429 7.073 1.00 54.12 N ATOM 0 H GLN A 23 -3.087 6.055 2.922 1.00 73.34 H new ATOM 0 HA GLN A 23 -1.621 6.799 5.220 1.00 52.45 H new ATOM 0 HB2 GLN A 23 -2.386 3.997 4.330 1.00 53.44 H new ATOM 0 HB3 GLN A 23 -2.115 4.553 5.970 1.00 53.44 H new ATOM 0 HG2 GLN A 23 -4.433 5.210 4.139 1.00 31.01 H new ATOM 0 HG3 GLN A 23 -4.477 4.379 5.681 1.00 31.01 H new ATOM 0 HE21 GLN A 23 -4.879 5.520 7.501 1.00 54.12 H new ATOM 0 HE22 GLN A 23 -4.885 7.285 7.597 1.00 54.12 H new ATOM 213 N GLY A 24 -0.100 4.713 3.145 1.00 74.42 N ATOM 214 CA GLY A 24 1.209 4.202 2.781 1.00 14.32 C ATOM 215 C GLY A 24 2.268 5.286 2.759 1.00 12.41 C ATOM 216 O GLY A 24 3.303 5.166 3.414 1.00 34.21 O ATOM 0 H GLY A 24 -0.867 4.384 2.558 1.00 74.42 H new ATOM 0 HA2 GLY A 24 1.502 3.426 3.488 1.00 14.32 H new ATOM 0 HA3 GLY A 24 1.153 3.733 1.799 1.00 14.32 H new ATOM 220 N ALA A 25 2.010 6.348 2.002 1.00 21.02 N ATOM 221 CA ALA A 25 2.949 7.458 1.898 1.00 63.34 C ATOM 222 C ALA A 25 2.687 8.502 2.977 1.00 50.50 C ATOM 223 O ALA A 25 2.600 9.696 2.690 1.00 11.13 O ATOM 224 CB ALA A 25 2.867 8.091 0.516 1.00 33.35 C ATOM 0 H ALA A 25 1.159 6.463 1.452 1.00 21.02 H new ATOM 0 HA ALA A 25 3.955 7.066 2.047 1.00 63.34 H new ATOM 0 HB1 ALA A 25 3.574 8.919 0.452 1.00 33.35 H new ATOM 0 HB2 ALA A 25 3.112 7.346 -0.241 1.00 33.35 H new ATOM 0 HB3 ALA A 25 1.857 8.463 0.345 1.00 33.35 H new ATOM 230 N MET A 26 2.561 8.045 4.219 1.00 42.25 N ATOM 231 CA MET A 26 2.309 8.942 5.341 1.00 61.32 C ATOM 232 C MET A 26 3.505 9.857 5.585 1.00 53.15 C ATOM 233 O MET A 26 3.342 11.045 5.861 1.00 3.13 O ATOM 234 CB MET A 26 2.002 8.137 6.605 1.00 20.11 C ATOM 235 CG MET A 26 2.911 6.934 6.795 1.00 23.34 C ATOM 236 SD MET A 26 3.073 6.452 8.525 1.00 3.24 S ATOM 237 CE MET A 26 4.794 6.846 8.827 1.00 65.34 C ATOM 0 H MET A 26 2.629 7.060 4.474 1.00 42.25 H new ATOM 0 HA MET A 26 1.446 9.560 5.093 1.00 61.32 H new ATOM 0 HB2 MET A 26 2.092 8.790 7.473 1.00 20.11 H new ATOM 0 HB3 MET A 26 0.967 7.798 6.567 1.00 20.11 H new ATOM 0 HG2 MET A 26 2.519 6.093 6.223 1.00 23.34 H new ATOM 0 HG3 MET A 26 3.898 7.162 6.391 1.00 23.34 H new ATOM 0 HE1 MET A 26 5.194 6.172 9.584 1.00 65.34 H new ATOM 0 HE2 MET A 26 5.361 6.732 7.903 1.00 65.34 H new ATOM 0 HE3 MET A 26 4.876 7.875 9.178 1.00 65.34 H new ATOM 247 N ALA A 27 4.705 9.296 5.480 1.00 11.02 N ATOM 248 CA ALA A 27 5.927 10.063 5.688 1.00 62.43 C ATOM 249 C ALA A 27 6.830 9.999 4.460 1.00 0.15 C ATOM 250 O ALA A 27 6.698 10.803 3.538 1.00 54.33 O ATOM 251 CB ALA A 27 6.667 9.554 6.916 1.00 11.23 C ATOM 0 H ALA A 27 4.857 8.313 5.252 1.00 11.02 H new ATOM 0 HA ALA A 27 5.650 11.105 5.850 1.00 62.43 H new ATOM 0 HB1 ALA A 27 7.578 10.136 7.059 1.00 11.23 H new ATOM 0 HB2 ALA A 27 6.029 9.657 7.794 1.00 11.23 H new ATOM 0 HB3 ALA A 27 6.925 8.504 6.776 1.00 11.23 H new ATOM 257 N PHE A 28 7.749 9.039 4.456 1.00 35.34 N ATOM 258 CA PHE A 28 8.675 8.872 3.343 1.00 71.44 C ATOM 259 C PHE A 28 8.985 7.396 3.110 1.00 24.22 C ATOM 260 O PHE A 28 9.166 6.960 1.973 1.00 2.00 O ATOM 261 CB PHE A 28 9.970 9.641 3.609 1.00 3.03 C ATOM 262 CG PHE A 28 10.087 10.148 5.018 1.00 23.23 C ATOM 263 CD1 PHE A 28 9.319 11.217 5.450 1.00 41.21 C ATOM 264 CD2 PHE A 28 10.965 9.555 5.911 1.00 30.34 C ATOM 265 CE1 PHE A 28 9.425 11.686 6.746 1.00 65.13 C ATOM 266 CE2 PHE A 28 11.075 10.019 7.209 1.00 64.23 C ATOM 267 CZ PHE A 28 10.304 11.085 7.627 1.00 53.25 C ATOM 0 H PHE A 28 7.872 8.365 5.212 1.00 35.34 H new ATOM 0 HA PHE A 28 8.201 9.272 2.446 1.00 71.44 H new ATOM 0 HB2 PHE A 28 10.819 8.993 3.393 1.00 3.03 H new ATOM 0 HB3 PHE A 28 10.030 10.485 2.922 1.00 3.03 H new ATOM 0 HD1 PHE A 28 8.629 11.689 4.766 1.00 41.21 H new ATOM 0 HD2 PHE A 28 11.571 8.721 5.589 1.00 30.34 H new ATOM 0 HE1 PHE A 28 8.822 12.521 7.070 1.00 65.13 H new ATOM 0 HE2 PHE A 28 11.763 9.548 7.895 1.00 64.23 H new ATOM 0 HZ PHE A 28 10.388 11.449 8.641 1.00 53.25 H new ATOM 277 N ASP A 29 9.046 6.632 4.196 1.00 50.34 N ATOM 278 CA ASP A 29 9.334 5.205 4.111 1.00 0.24 C ATOM 279 C ASP A 29 9.509 4.603 5.502 1.00 13.11 C ATOM 280 O ASP A 29 10.252 3.640 5.684 1.00 61.23 O ATOM 281 CB ASP A 29 10.593 4.966 3.277 1.00 60.35 C ATOM 282 CG ASP A 29 10.327 4.096 2.064 1.00 73.23 C ATOM 283 OD1 ASP A 29 9.429 4.445 1.268 1.00 20.14 O ATOM 284 OD2 ASP A 29 11.016 3.067 1.909 1.00 24.44 O ATOM 0 H ASP A 29 8.900 6.977 5.145 1.00 50.34 H new ATOM 0 HA ASP A 29 8.489 4.717 3.626 1.00 0.24 H new ATOM 0 HB2 ASP A 29 10.997 5.925 2.951 1.00 60.35 H new ATOM 0 HB3 ASP A 29 11.353 4.494 3.899 1.00 60.35 H new ATOM 289 N GLY A 30 8.819 5.179 6.482 1.00 54.01 N ATOM 290 CA GLY A 30 8.912 4.687 7.844 1.00 63.31 C ATOM 291 C GLY A 30 7.997 3.505 8.098 1.00 51.44 C ATOM 292 O GLY A 30 7.850 3.060 9.235 1.00 32.11 O ATOM 0 H GLY A 30 8.197 5.978 6.357 1.00 54.01 H new ATOM 0 HA2 GLY A 30 9.942 4.397 8.052 1.00 63.31 H new ATOM 0 HA3 GLY A 30 8.661 5.492 8.535 1.00 63.31 H new ATOM 296 N GLU A 31 7.379 2.998 7.035 1.00 3.32 N ATOM 297 CA GLU A 31 6.471 1.863 7.150 1.00 44.01 C ATOM 298 C GLU A 31 7.246 0.568 7.375 1.00 31.43 C ATOM 299 O GLU A 31 8.448 0.498 7.118 1.00 72.33 O ATOM 300 CB GLU A 31 5.609 1.742 5.892 1.00 51.12 C ATOM 301 CG GLU A 31 5.024 3.065 5.425 1.00 24.22 C ATOM 302 CD GLU A 31 4.319 3.816 6.538 1.00 63.12 C ATOM 303 OE1 GLU A 31 5.014 4.328 7.440 1.00 4.31 O ATOM 304 OE2 GLU A 31 3.073 3.891 6.507 1.00 43.23 O ATOM 0 H GLU A 31 7.491 3.355 6.086 1.00 3.32 H new ATOM 0 HA GLU A 31 5.824 2.033 8.010 1.00 44.01 H new ATOM 0 HB2 GLU A 31 6.211 1.317 5.089 1.00 51.12 H new ATOM 0 HB3 GLU A 31 4.796 1.043 6.085 1.00 51.12 H new ATOM 0 HG2 GLU A 31 5.821 3.688 5.020 1.00 24.22 H new ATOM 0 HG3 GLU A 31 4.320 2.881 4.613 1.00 24.22 H new ATOM 311 N ASP A 32 6.549 -0.455 7.858 1.00 11.10 N ATOM 312 CA ASP A 32 7.170 -1.749 8.118 1.00 13.41 C ATOM 313 C ASP A 32 6.337 -2.880 7.523 1.00 23.23 C ATOM 314 O ASP A 32 5.444 -2.645 6.710 1.00 4.32 O ATOM 315 CB ASP A 32 7.342 -1.962 9.623 1.00 62.22 C ATOM 316 CG ASP A 32 8.765 -2.330 9.996 1.00 51.30 C ATOM 317 OD1 ASP A 32 9.610 -1.415 10.082 1.00 45.05 O ATOM 318 OD2 ASP A 32 9.033 -3.532 10.202 1.00 70.23 O ATOM 0 H ASP A 32 5.554 -0.413 8.077 1.00 11.10 H new ATOM 0 HA ASP A 32 8.151 -1.756 7.643 1.00 13.41 H new ATOM 0 HB2 ASP A 32 7.054 -1.053 10.151 1.00 62.22 H new ATOM 0 HB3 ASP A 32 6.667 -2.751 9.955 1.00 62.22 H new ATOM 323 N GLU A 33 6.638 -4.108 7.934 1.00 32.32 N ATOM 324 CA GLU A 33 5.918 -5.276 7.440 1.00 71.02 C ATOM 325 C GLU A 33 5.455 -6.159 8.595 1.00 72.11 C ATOM 326 O GLU A 33 6.268 -6.671 9.365 1.00 51.23 O ATOM 327 CB GLU A 33 6.804 -6.084 6.489 1.00 33.01 C ATOM 328 CG GLU A 33 8.198 -6.347 7.032 1.00 2.21 C ATOM 329 CD GLU A 33 8.541 -7.823 7.070 1.00 60.42 C ATOM 330 OE1 GLU A 33 8.371 -8.499 6.034 1.00 70.23 O ATOM 331 OE2 GLU A 33 8.980 -8.303 8.136 1.00 12.23 O ATOM 0 H GLU A 33 7.375 -4.320 8.607 1.00 32.32 H new ATOM 0 HA GLU A 33 5.039 -4.927 6.898 1.00 71.02 H new ATOM 0 HB2 GLU A 33 6.320 -7.037 6.277 1.00 33.01 H new ATOM 0 HB3 GLU A 33 6.887 -5.551 5.542 1.00 33.01 H new ATOM 0 HG2 GLU A 33 8.929 -5.824 6.415 1.00 2.21 H new ATOM 0 HG3 GLU A 33 8.276 -5.934 8.038 1.00 2.21 H new ATOM 338 N VAL A 34 4.142 -6.333 8.710 1.00 51.31 N ATOM 339 CA VAL A 34 3.569 -7.154 9.770 1.00 2.30 C ATOM 340 C VAL A 34 3.844 -8.634 9.528 1.00 1.42 C ATOM 341 O VAL A 34 4.061 -9.059 8.393 1.00 23.42 O ATOM 342 CB VAL A 34 2.049 -6.938 9.888 1.00 52.32 C ATOM 343 CG1 VAL A 34 1.467 -7.823 10.980 1.00 54.45 C ATOM 344 CG2 VAL A 34 1.738 -5.473 10.155 1.00 3.24 C ATOM 0 H VAL A 34 3.455 -5.916 8.082 1.00 51.31 H new ATOM 0 HA VAL A 34 4.045 -6.846 10.701 1.00 2.30 H new ATOM 0 HB VAL A 34 1.585 -7.217 8.942 1.00 52.32 H new ATOM 0 HG11 VAL A 34 0.392 -7.657 11.049 1.00 54.45 H new ATOM 0 HG12 VAL A 34 1.658 -8.869 10.741 1.00 54.45 H new ATOM 0 HG13 VAL A 34 1.934 -7.578 11.934 1.00 54.45 H new ATOM 0 HG21 VAL A 34 0.659 -5.339 10.235 1.00 3.24 H new ATOM 0 HG22 VAL A 34 2.213 -5.164 11.086 1.00 3.24 H new ATOM 0 HG23 VAL A 34 2.119 -4.865 9.335 1.00 3.24 H new ATOM 354 N THR A 35 3.833 -9.415 10.603 1.00 31.54 N ATOM 355 CA THR A 35 4.081 -10.848 10.509 1.00 25.40 C ATOM 356 C THR A 35 2.801 -11.645 10.732 1.00 12.54 C ATOM 357 O THR A 35 2.692 -12.795 10.311 1.00 24.44 O ATOM 358 CB THR A 35 5.140 -11.303 11.531 1.00 22.42 C ATOM 359 OG1 THR A 35 4.570 -11.341 12.844 1.00 55.40 O ATOM 360 CG2 THR A 35 6.340 -10.368 11.521 1.00 72.15 C ATOM 0 H THR A 35 3.655 -9.079 11.549 1.00 31.54 H new ATOM 0 HA THR A 35 4.452 -11.038 9.502 1.00 25.40 H new ATOM 0 HB THR A 35 5.475 -12.302 11.252 1.00 22.42 H new ATOM 0 HG1 THR A 35 4.831 -10.535 13.337 1.00 55.40 H new ATOM 0 HG21 THR A 35 7.074 -10.710 12.251 1.00 72.15 H new ATOM 0 HG22 THR A 35 6.790 -10.364 10.528 1.00 72.15 H new ATOM 0 HG23 THR A 35 6.017 -9.359 11.777 1.00 72.15 H new ATOM 368 N GLY A 36 1.831 -11.023 11.397 1.00 24.35 N ATOM 369 CA GLY A 36 0.570 -11.690 11.664 1.00 2.55 C ATOM 370 C GLY A 36 -0.579 -10.714 11.823 1.00 41.32 C ATOM 371 O GLY A 36 -0.686 -9.725 11.097 1.00 12.11 O ATOM 0 H GLY A 36 1.896 -10.070 11.755 1.00 24.35 H new ATOM 0 HA2 GLY A 36 0.347 -12.379 10.849 1.00 2.55 H new ATOM 0 HA3 GLY A 36 0.663 -12.288 12.571 1.00 2.55 H new ATOM 375 N PRO A 37 -1.465 -10.989 12.791 1.00 74.41 N ATOM 376 CA PRO A 37 -2.629 -10.141 13.064 1.00 41.40 C ATOM 377 C PRO A 37 -2.237 -8.797 13.670 1.00 31.41 C ATOM 378 O PRO A 37 -1.081 -8.383 13.589 1.00 3.14 O ATOM 379 CB PRO A 37 -3.441 -10.964 14.067 1.00 2.43 C ATOM 380 CG PRO A 37 -2.440 -11.841 14.735 1.00 25.52 C ATOM 381 CD PRO A 37 -1.400 -12.151 13.694 1.00 41.22 C ATOM 0 HA PRO A 37 -3.176 -9.894 12.154 1.00 41.40 H new ATOM 0 HB2 PRO A 37 -3.948 -10.322 14.787 1.00 2.43 H new ATOM 0 HB3 PRO A 37 -4.211 -11.551 13.566 1.00 2.43 H new ATOM 0 HG2 PRO A 37 -1.994 -11.340 15.595 1.00 25.52 H new ATOM 0 HG3 PRO A 37 -2.906 -12.754 15.105 1.00 25.52 H new ATOM 0 HD2 PRO A 37 -0.410 -12.262 14.136 1.00 41.22 H new ATOM 0 HD3 PRO A 37 -1.621 -13.081 13.169 1.00 41.22 H new ATOM 389 N ASP A 38 -3.207 -8.122 14.277 1.00 22.10 N ATOM 390 CA ASP A 38 -2.963 -6.826 14.899 1.00 45.34 C ATOM 391 C ASP A 38 -1.884 -6.932 15.972 1.00 30.52 C ATOM 392 O ASP A 38 -1.183 -5.963 16.260 1.00 63.01 O ATOM 393 CB ASP A 38 -4.254 -6.277 15.508 1.00 44.01 C ATOM 394 CG ASP A 38 -5.168 -7.376 16.012 1.00 14.34 C ATOM 395 OD1 ASP A 38 -4.766 -8.100 16.946 1.00 64.41 O ATOM 396 OD2 ASP A 38 -6.287 -7.511 15.473 1.00 22.31 O ATOM 0 H ASP A 38 -4.170 -8.451 14.352 1.00 22.10 H new ATOM 0 HA ASP A 38 -2.615 -6.140 14.127 1.00 45.34 H new ATOM 0 HB2 ASP A 38 -4.008 -5.607 16.332 1.00 44.01 H new ATOM 0 HB3 ASP A 38 -4.781 -5.684 14.761 1.00 44.01 H new ATOM 401 N ALA A 39 -1.758 -8.117 16.562 1.00 53.12 N ATOM 402 CA ALA A 39 -0.765 -8.350 17.603 1.00 71.43 C ATOM 403 C ALA A 39 0.637 -8.004 17.112 1.00 75.33 C ATOM 404 O ALA A 39 1.445 -7.448 17.855 1.00 41.22 O ATOM 405 CB ALA A 39 -0.820 -9.797 18.070 1.00 74.42 C ATOM 0 H ALA A 39 -2.331 -8.930 16.336 1.00 53.12 H new ATOM 0 HA ALA A 39 -0.998 -7.698 18.445 1.00 71.43 H new ATOM 0 HB1 ALA A 39 -0.073 -9.957 18.848 1.00 74.42 H new ATOM 0 HB2 ALA A 39 -1.811 -10.013 18.469 1.00 74.42 H new ATOM 0 HB3 ALA A 39 -0.615 -10.459 17.229 1.00 74.42 H new ATOM 411 N ASP A 40 0.918 -8.338 15.857 1.00 52.21 N ATOM 412 CA ASP A 40 2.222 -8.062 15.266 1.00 3.35 C ATOM 413 C ASP A 40 2.299 -6.622 14.767 1.00 22.23 C ATOM 414 O ASP A 40 3.339 -5.972 14.877 1.00 54.41 O ATOM 415 CB ASP A 40 2.500 -9.029 14.115 1.00 31.41 C ATOM 416 CG ASP A 40 2.610 -10.468 14.581 1.00 0.25 C ATOM 417 OD1 ASP A 40 3.642 -10.816 15.192 1.00 22.43 O ATOM 418 OD2 ASP A 40 1.664 -11.245 14.336 1.00 13.45 O ATOM 0 H ASP A 40 0.260 -8.800 15.230 1.00 52.21 H new ATOM 0 HA ASP A 40 2.979 -8.201 16.038 1.00 3.35 H new ATOM 0 HB2 ASP A 40 1.702 -8.949 13.377 1.00 31.41 H new ATOM 0 HB3 ASP A 40 3.425 -8.740 13.617 1.00 31.41 H new ATOM 423 N ARG A 41 1.193 -6.132 14.218 1.00 12.11 N ATOM 424 CA ARG A 41 1.136 -4.770 13.700 1.00 72.42 C ATOM 425 C ARG A 41 1.215 -3.753 14.834 1.00 24.03 C ATOM 426 O ARG A 41 1.850 -2.707 14.700 1.00 24.52 O ATOM 427 CB ARG A 41 -0.152 -4.560 12.901 1.00 44.42 C ATOM 428 CG ARG A 41 -1.279 -3.945 13.714 1.00 51.43 C ATOM 429 CD ARG A 41 -2.581 -3.916 12.928 1.00 22.02 C ATOM 430 NE ARG A 41 -2.578 -4.878 11.830 1.00 75.43 N ATOM 431 CZ ARG A 41 -3.617 -5.648 11.525 1.00 54.14 C ATOM 432 NH1 ARG A 41 -4.736 -5.568 12.231 1.00 13.34 N ATOM 433 NH2 ARG A 41 -3.538 -6.500 10.510 1.00 15.41 N ATOM 0 H ARG A 41 0.324 -6.657 14.120 1.00 12.11 H new ATOM 0 HA ARG A 41 1.993 -4.622 13.042 1.00 72.42 H new ATOM 0 HB2 ARG A 41 0.061 -3.917 12.047 1.00 44.42 H new ATOM 0 HB3 ARG A 41 -0.484 -5.519 12.504 1.00 44.42 H new ATOM 0 HG2 ARG A 41 -1.420 -4.515 14.632 1.00 51.43 H new ATOM 0 HG3 ARG A 41 -1.007 -2.931 14.007 1.00 51.43 H new ATOM 0 HD2 ARG A 41 -3.414 -4.132 13.597 1.00 22.02 H new ATOM 0 HD3 ARG A 41 -2.743 -2.914 12.532 1.00 22.02 H new ATOM 0 HE ARG A 41 -1.732 -4.964 11.266 1.00 75.43 H new ATOM 0 HH11 ARG A 41 -4.801 -4.914 13.011 1.00 13.34 H new ATOM 0 HH12 ARG A 41 -5.532 -6.160 11.994 1.00 13.34 H new ATOM 0 HH21 ARG A 41 -2.679 -6.564 9.964 1.00 15.41 H new ATOM 0 HH22 ARG A 41 -4.336 -7.091 10.277 1.00 15.41 H new ATOM 447 N ALA A 42 0.566 -4.067 15.950 1.00 21.25 N ATOM 448 CA ALA A 42 0.565 -3.182 17.108 1.00 14.33 C ATOM 449 C ALA A 42 1.971 -3.013 17.673 1.00 62.54 C ATOM 450 O ALA A 42 2.321 -1.951 18.188 1.00 74.33 O ATOM 451 CB ALA A 42 -0.375 -3.715 18.179 1.00 15.03 C ATOM 0 H ALA A 42 0.034 -4.928 16.077 1.00 21.25 H new ATOM 0 HA ALA A 42 0.212 -2.203 16.784 1.00 14.33 H new ATOM 0 HB1 ALA A 42 -0.366 -3.044 19.038 1.00 15.03 H new ATOM 0 HB2 ALA A 42 -1.387 -3.776 17.778 1.00 15.03 H new ATOM 0 HB3 ALA A 42 -0.047 -4.707 18.490 1.00 15.03 H new ATOM 457 N ARG A 43 2.774 -4.068 17.573 1.00 50.14 N ATOM 458 CA ARG A 43 4.142 -4.037 18.075 1.00 2.10 C ATOM 459 C ARG A 43 5.057 -3.281 17.116 1.00 54.33 C ATOM 460 O ARG A 43 5.923 -2.518 17.541 1.00 45.53 O ATOM 461 CB ARG A 43 4.665 -5.460 18.280 1.00 2.20 C ATOM 462 CG ARG A 43 5.515 -5.968 17.127 1.00 23.21 C ATOM 463 CD ARG A 43 5.666 -7.481 17.171 1.00 51.22 C ATOM 464 NE ARG A 43 6.953 -7.918 16.638 1.00 24.31 N ATOM 465 CZ ARG A 43 8.090 -7.860 17.323 1.00 42.32 C ATOM 466 NH1 ARG A 43 8.099 -7.385 18.561 1.00 54.13 N ATOM 467 NH2 ARG A 43 9.222 -8.277 16.769 1.00 33.04 N ATOM 0 H ARG A 43 2.500 -4.954 17.149 1.00 50.14 H new ATOM 0 HA ARG A 43 4.139 -3.516 19.033 1.00 2.10 H new ATOM 0 HB2 ARG A 43 5.254 -5.493 19.197 1.00 2.20 H new ATOM 0 HB3 ARG A 43 3.819 -6.132 18.420 1.00 2.20 H new ATOM 0 HG2 ARG A 43 5.060 -5.674 16.181 1.00 23.21 H new ATOM 0 HG3 ARG A 43 6.499 -5.502 17.166 1.00 23.21 H new ATOM 0 HD2 ARG A 43 5.564 -7.826 18.200 1.00 51.22 H new ATOM 0 HD3 ARG A 43 4.861 -7.942 16.599 1.00 51.22 H new ATOM 0 HE ARG A 43 6.981 -8.288 15.688 1.00 24.31 H new ATOM 0 HH11 ARG A 43 7.231 -7.063 18.990 1.00 54.13 H new ATOM 0 HH12 ARG A 43 8.973 -7.342 19.084 1.00 54.13 H new ATOM 0 HH21 ARG A 43 9.219 -8.642 15.817 1.00 33.04 H new ATOM 0 HH22 ARG A 43 10.094 -8.232 17.296 1.00 33.04 H new ATOM 481 N ALA A 44 4.857 -3.499 15.820 1.00 13.11 N ATOM 482 CA ALA A 44 5.662 -2.837 14.801 1.00 73.32 C ATOM 483 C ALA A 44 5.209 -1.396 14.594 1.00 73.15 C ATOM 484 O ALA A 44 5.995 -0.461 14.740 1.00 65.23 O ATOM 485 CB ALA A 44 5.592 -3.608 13.491 1.00 61.12 C ATOM 0 H ALA A 44 4.144 -4.129 15.451 1.00 13.11 H new ATOM 0 HA ALA A 44 6.696 -2.819 15.145 1.00 73.32 H new ATOM 0 HB1 ALA A 44 6.198 -3.103 12.739 1.00 61.12 H new ATOM 0 HB2 ALA A 44 5.971 -4.619 13.643 1.00 61.12 H new ATOM 0 HB3 ALA A 44 4.557 -3.656 13.152 1.00 61.12 H new ATOM 491 N ALA A 45 3.936 -1.224 14.252 1.00 61.05 N ATOM 492 CA ALA A 45 3.379 0.104 14.025 1.00 34.44 C ATOM 493 C ALA A 45 3.650 1.023 15.212 1.00 64.53 C ATOM 494 O ALA A 45 3.565 2.245 15.094 1.00 22.55 O ATOM 495 CB ALA A 45 1.883 0.010 13.760 1.00 63.13 C ATOM 0 H ALA A 45 3.271 -1.987 14.126 1.00 61.05 H new ATOM 0 HA ALA A 45 3.867 0.531 13.149 1.00 34.44 H new ATOM 0 HB1 ALA A 45 1.480 1.009 13.592 1.00 63.13 H new ATOM 0 HB2 ALA A 45 1.708 -0.605 12.877 1.00 63.13 H new ATOM 0 HB3 ALA A 45 1.389 -0.441 14.620 1.00 63.13 H new ATOM 501 N ALA A 46 3.977 0.426 16.353 1.00 2.15 N ATOM 502 CA ALA A 46 4.263 1.192 17.561 1.00 73.53 C ATOM 503 C ALA A 46 5.497 2.068 17.376 1.00 54.32 C ATOM 504 O ALA A 46 5.386 3.272 17.144 1.00 0.31 O ATOM 505 CB ALA A 46 4.450 0.257 18.746 1.00 20.44 C ATOM 0 H ALA A 46 4.051 -0.585 16.467 1.00 2.15 H new ATOM 0 HA ALA A 46 3.413 1.845 17.758 1.00 73.53 H new ATOM 0 HB1 ALA A 46 4.663 0.842 19.641 1.00 20.44 H new ATOM 0 HB2 ALA A 46 3.540 -0.323 18.899 1.00 20.44 H new ATOM 0 HB3 ALA A 46 5.282 -0.419 18.548 1.00 20.44 H new ATOM 511 N VAL A 47 6.672 1.457 17.480 1.00 4.05 N ATOM 512 CA VAL A 47 7.928 2.182 17.324 1.00 14.24 C ATOM 513 C VAL A 47 8.655 1.755 16.054 1.00 31.25 C ATOM 514 O VAL A 47 9.516 2.474 15.550 1.00 42.35 O ATOM 515 CB VAL A 47 8.856 1.963 18.533 1.00 5.03 C ATOM 516 CG1 VAL A 47 10.168 2.709 18.341 1.00 22.31 C ATOM 517 CG2 VAL A 47 8.169 2.399 19.819 1.00 63.24 C ATOM 0 H VAL A 47 6.781 0.461 17.672 1.00 4.05 H new ATOM 0 HA VAL A 47 7.676 3.240 17.256 1.00 14.24 H new ATOM 0 HB VAL A 47 9.078 0.899 18.610 1.00 5.03 H new ATOM 0 HG11 VAL A 47 10.811 2.543 19.205 1.00 22.31 H new ATOM 0 HG12 VAL A 47 10.666 2.344 17.443 1.00 22.31 H new ATOM 0 HG13 VAL A 47 9.968 3.776 18.237 1.00 22.31 H new ATOM 0 HG21 VAL A 47 8.840 2.237 20.663 1.00 63.24 H new ATOM 0 HG22 VAL A 47 7.915 3.457 19.755 1.00 63.24 H new ATOM 0 HG23 VAL A 47 7.259 1.816 19.961 1.00 63.24 H new ATOM 527 N GLN A 48 8.301 0.580 15.544 1.00 65.24 N ATOM 528 CA GLN A 48 8.921 0.057 14.332 1.00 63.40 C ATOM 529 C GLN A 48 8.456 0.832 13.104 1.00 73.11 C ATOM 530 O GLN A 48 9.164 0.907 12.100 1.00 12.33 O ATOM 531 CB GLN A 48 8.594 -1.428 14.167 1.00 71.44 C ATOM 532 CG GLN A 48 8.964 -2.271 15.376 1.00 34.35 C ATOM 533 CD GLN A 48 9.004 -3.754 15.064 1.00 34.24 C ATOM 534 OE1 GLN A 48 8.357 -4.559 15.735 1.00 21.33 O ATOM 535 NE2 GLN A 48 9.765 -4.124 14.041 1.00 1.22 N ATOM 0 H GLN A 48 7.589 -0.027 15.950 1.00 65.24 H new ATOM 0 HA GLN A 48 10.000 0.176 14.426 1.00 63.40 H new ATOM 0 HB2 GLN A 48 7.527 -1.537 13.972 1.00 71.44 H new ATOM 0 HB3 GLN A 48 9.119 -1.812 13.292 1.00 71.44 H new ATOM 0 HG2 GLN A 48 9.938 -1.956 15.749 1.00 34.35 H new ATOM 0 HG3 GLN A 48 8.244 -2.091 16.174 1.00 34.35 H new ATOM 0 HE21 GLN A 48 10.284 -3.423 13.512 1.00 1.22 H new ATOM 0 HE22 GLN A 48 9.830 -5.109 13.784 1.00 1.22 H new ATOM 544 N ALA A 49 7.260 1.406 13.191 1.00 4.40 N ATOM 545 CA ALA A 49 6.701 2.177 12.088 1.00 41.24 C ATOM 546 C ALA A 49 6.679 3.667 12.414 1.00 21.41 C ATOM 547 O ALA A 49 6.326 4.492 11.572 1.00 72.03 O ATOM 548 CB ALA A 49 5.299 1.686 11.758 1.00 2.31 C ATOM 0 H ALA A 49 6.660 1.351 14.014 1.00 4.40 H new ATOM 0 HA ALA A 49 7.339 2.032 11.216 1.00 41.24 H new ATOM 0 HB1 ALA A 49 4.894 2.271 10.932 1.00 2.31 H new ATOM 0 HB2 ALA A 49 5.339 0.635 11.473 1.00 2.31 H new ATOM 0 HB3 ALA A 49 4.658 1.800 12.632 1.00 2.31 H new ATOM 554 N VAL A 50 7.058 4.004 13.643 1.00 41.13 N ATOM 555 CA VAL A 50 7.082 5.395 14.080 1.00 21.34 C ATOM 556 C VAL A 50 8.481 5.987 13.952 1.00 51.22 C ATOM 557 O VAL A 50 8.722 7.150 14.277 1.00 31.12 O ATOM 558 CB VAL A 50 6.611 5.532 15.540 1.00 33.23 C ATOM 559 CG1 VAL A 50 7.797 5.491 16.491 1.00 64.41 C ATOM 560 CG2 VAL A 50 5.814 6.815 15.724 1.00 31.52 C ATOM 0 H VAL A 50 7.352 3.333 14.353 1.00 41.13 H new ATOM 0 HA VAL A 50 6.398 5.943 13.432 1.00 21.34 H new ATOM 0 HB VAL A 50 5.960 4.689 15.774 1.00 33.23 H new ATOM 0 HG11 VAL A 50 7.444 5.589 17.518 1.00 64.41 H new ATOM 0 HG12 VAL A 50 8.322 4.543 16.377 1.00 64.41 H new ATOM 0 HG13 VAL A 50 8.476 6.312 16.261 1.00 64.41 H new ATOM 0 HG21 VAL A 50 5.489 6.896 16.761 1.00 31.52 H new ATOM 0 HG22 VAL A 50 6.440 7.671 15.472 1.00 31.52 H new ATOM 0 HG23 VAL A 50 4.942 6.798 15.071 1.00 31.52 H new ATOM 570 N PRO A 51 9.427 5.170 13.465 1.00 0.43 N ATOM 571 CA PRO A 51 10.819 5.592 13.281 1.00 12.31 C ATOM 572 C PRO A 51 10.973 6.604 12.151 1.00 40.30 C ATOM 573 O PRO A 51 11.902 7.411 12.150 1.00 55.42 O ATOM 574 CB PRO A 51 11.542 4.288 12.934 1.00 54.53 C ATOM 575 CG PRO A 51 10.487 3.416 12.346 1.00 20.41 C ATOM 576 CD PRO A 51 9.211 3.772 13.057 1.00 52.21 C ATOM 0 HA PRO A 51 11.214 6.092 14.165 1.00 12.31 H new ATOM 0 HB2 PRO A 51 12.353 4.461 12.226 1.00 54.53 H new ATOM 0 HB3 PRO A 51 11.984 3.832 13.820 1.00 54.53 H new ATOM 0 HG2 PRO A 51 10.396 3.584 11.273 1.00 20.41 H new ATOM 0 HG3 PRO A 51 10.730 2.362 12.484 1.00 20.41 H new ATOM 0 HD2 PRO A 51 8.345 3.674 12.402 1.00 52.21 H new ATOM 0 HD3 PRO A 51 9.036 3.125 13.916 1.00 52.21 H new ATOM 584 N GLY A 52 10.056 6.556 11.190 1.00 72.45 N ATOM 585 CA GLY A 52 10.108 7.474 10.067 1.00 23.10 C ATOM 586 C GLY A 52 9.455 8.806 10.377 1.00 51.21 C ATOM 587 O GLY A 52 10.072 9.859 10.221 1.00 12.15 O ATOM 0 H GLY A 52 9.277 5.897 11.169 1.00 72.45 H new ATOM 0 HA2 GLY A 52 11.148 7.639 9.785 1.00 23.10 H new ATOM 0 HA3 GLY A 52 9.613 7.021 9.208 1.00 23.10 H new ATOM 591 N GLY A 53 8.200 8.761 10.815 1.00 24.24 N ATOM 592 CA GLY A 53 7.483 9.980 11.139 1.00 41.11 C ATOM 593 C GLY A 53 6.195 9.713 11.891 1.00 34.41 C ATOM 594 O GLY A 53 5.766 10.524 12.712 1.00 34.15 O ATOM 0 H GLY A 53 7.667 7.902 10.951 1.00 24.24 H new ATOM 0 HA2 GLY A 53 8.124 10.626 11.740 1.00 41.11 H new ATOM 0 HA3 GLY A 53 7.258 10.521 10.220 1.00 41.11 H new ATOM 598 N THR A 54 5.573 8.572 11.610 1.00 31.40 N ATOM 599 CA THR A 54 4.324 8.200 12.264 1.00 43.44 C ATOM 600 C THR A 54 4.295 6.711 12.589 1.00 44.33 C ATOM 601 O THR A 54 4.840 5.894 11.848 1.00 65.03 O ATOM 602 CB THR A 54 3.106 8.546 11.386 1.00 4.43 C ATOM 603 OG1 THR A 54 2.641 9.866 11.692 1.00 65.20 O ATOM 604 CG2 THR A 54 1.982 7.545 11.602 1.00 62.54 C ATOM 0 H THR A 54 5.914 7.889 10.933 1.00 31.40 H new ATOM 0 HA THR A 54 4.270 8.772 13.190 1.00 43.44 H new ATOM 0 HB THR A 54 3.414 8.502 10.341 1.00 4.43 H new ATOM 0 HG1 THR A 54 1.868 10.079 11.129 1.00 65.20 H new ATOM 0 HG21 THR A 54 1.133 7.810 10.972 1.00 62.54 H new ATOM 0 HG22 THR A 54 2.330 6.545 11.341 1.00 62.54 H new ATOM 0 HG23 THR A 54 1.676 7.561 12.648 1.00 62.54 H new ATOM 612 N ALA A 55 3.655 6.366 13.701 1.00 63.51 N ATOM 613 CA ALA A 55 3.553 4.974 14.122 1.00 22.13 C ATOM 614 C ALA A 55 2.545 4.214 13.267 1.00 13.13 C ATOM 615 O ALA A 55 1.435 3.923 13.711 1.00 54.34 O ATOM 616 CB ALA A 55 3.168 4.894 15.592 1.00 11.41 C ATOM 0 H ALA A 55 3.200 7.031 14.326 1.00 63.51 H new ATOM 0 HA ALA A 55 4.529 4.507 13.987 1.00 22.13 H new ATOM 0 HB1 ALA A 55 3.095 3.849 15.893 1.00 11.41 H new ATOM 0 HB2 ALA A 55 3.927 5.393 16.195 1.00 11.41 H new ATOM 0 HB3 ALA A 55 2.205 5.383 15.743 1.00 11.41 H new ATOM 622 N GLY A 56 2.939 3.896 12.038 1.00 72.41 N ATOM 623 CA GLY A 56 2.057 3.173 11.140 1.00 12.01 C ATOM 624 C GLY A 56 2.817 2.364 10.108 1.00 73.13 C ATOM 625 O GLY A 56 3.425 2.924 9.197 1.00 42.13 O ATOM 0 H GLY A 56 3.853 4.126 11.648 1.00 72.41 H new ATOM 0 HA2 GLY A 56 1.419 2.507 11.721 1.00 12.01 H new ATOM 0 HA3 GLY A 56 1.402 3.880 10.632 1.00 12.01 H new ATOM 629 N GLU A 57 2.783 1.043 10.251 1.00 33.24 N ATOM 630 CA GLU A 57 3.476 0.156 9.324 1.00 2.24 C ATOM 631 C GLU A 57 2.502 -0.446 8.316 1.00 42.13 C ATOM 632 O GLU A 57 1.401 0.068 8.116 1.00 64.21 O ATOM 633 CB GLU A 57 4.190 -0.960 10.089 1.00 23.23 C ATOM 634 CG GLU A 57 3.253 -2.034 10.614 1.00 33.52 C ATOM 635 CD GLU A 57 3.910 -3.399 10.685 1.00 4.01 C ATOM 636 OE1 GLU A 57 4.657 -3.748 9.747 1.00 5.43 O ATOM 637 OE2 GLU A 57 3.678 -4.118 11.679 1.00 33.04 O ATOM 0 H GLU A 57 2.283 0.563 11.000 1.00 33.24 H new ATOM 0 HA GLU A 57 4.215 0.745 8.781 1.00 2.24 H new ATOM 0 HB2 GLU A 57 4.929 -1.423 9.434 1.00 23.23 H new ATOM 0 HB3 GLU A 57 4.735 -0.524 10.926 1.00 23.23 H new ATOM 0 HG2 GLU A 57 2.903 -1.752 11.607 1.00 33.52 H new ATOM 0 HG3 GLU A 57 2.375 -2.091 9.971 1.00 33.52 H new ATOM 644 N VAL A 58 2.916 -1.539 7.682 1.00 41.52 N ATOM 645 CA VAL A 58 2.081 -2.212 6.694 1.00 3.21 C ATOM 646 C VAL A 58 1.969 -3.702 6.994 1.00 71.32 C ATOM 647 O VAL A 58 2.931 -4.331 7.434 1.00 41.34 O ATOM 648 CB VAL A 58 2.637 -2.026 5.270 1.00 72.25 C ATOM 649 CG1 VAL A 58 1.749 -2.730 4.254 1.00 1.42 C ATOM 650 CG2 VAL A 58 2.771 -0.547 4.939 1.00 72.41 C ATOM 0 H VAL A 58 3.824 -1.977 7.835 1.00 41.52 H new ATOM 0 HA VAL A 58 1.092 -1.757 6.752 1.00 3.21 H new ATOM 0 HB VAL A 58 3.629 -2.476 5.224 1.00 72.25 H new ATOM 0 HG11 VAL A 58 2.157 -2.588 3.253 1.00 1.42 H new ATOM 0 HG12 VAL A 58 1.709 -3.795 4.482 1.00 1.42 H new ATOM 0 HG13 VAL A 58 0.743 -2.312 4.298 1.00 1.42 H new ATOM 0 HG21 VAL A 58 3.165 -0.434 3.929 1.00 72.41 H new ATOM 0 HG22 VAL A 58 1.793 -0.070 5.002 1.00 72.41 H new ATOM 0 HG23 VAL A 58 3.451 -0.076 5.649 1.00 72.41 H new ATOM 660 N GLU A 59 0.787 -4.262 6.752 1.00 4.30 N ATOM 661 CA GLU A 59 0.550 -5.679 6.997 1.00 72.42 C ATOM 662 C GLU A 59 0.420 -6.444 5.683 1.00 73.14 C ATOM 663 O GLU A 59 0.035 -5.880 4.658 1.00 63.05 O ATOM 664 CB GLU A 59 -0.714 -5.870 7.838 1.00 55.45 C ATOM 665 CG GLU A 59 -0.864 -7.272 8.403 1.00 72.13 C ATOM 666 CD GLU A 59 -2.146 -7.947 7.956 1.00 74.20 C ATOM 667 OE1 GLU A 59 -2.567 -7.720 6.802 1.00 4.13 O ATOM 668 OE2 GLU A 59 -2.729 -8.704 8.761 1.00 55.41 O ATOM 0 H GLU A 59 -0.020 -3.756 6.387 1.00 4.30 H new ATOM 0 HA GLU A 59 1.405 -6.074 7.545 1.00 72.42 H new ATOM 0 HB2 GLU A 59 -0.704 -5.155 8.661 1.00 55.45 H new ATOM 0 HB3 GLU A 59 -1.586 -5.639 7.226 1.00 55.45 H new ATOM 0 HG2 GLU A 59 -0.012 -7.877 8.094 1.00 72.13 H new ATOM 0 HG3 GLU A 59 -0.843 -7.225 9.492 1.00 72.13 H new ATOM 675 N THR A 60 0.744 -7.733 5.720 1.00 14.00 N ATOM 676 CA THR A 60 0.665 -8.575 4.533 1.00 23.54 C ATOM 677 C THR A 60 -0.042 -9.891 4.839 1.00 51.22 C ATOM 678 O THR A 60 0.526 -10.777 5.476 1.00 74.53 O ATOM 679 CB THR A 60 2.065 -8.878 3.966 1.00 71.11 C ATOM 680 OG1 THR A 60 1.994 -9.972 3.045 1.00 70.13 O ATOM 681 CG2 THR A 60 3.041 -9.212 5.083 1.00 24.15 C ATOM 0 H THR A 60 1.064 -8.216 6.559 1.00 14.00 H new ATOM 0 HA THR A 60 0.091 -8.021 3.790 1.00 23.54 H new ATOM 0 HB THR A 60 2.423 -7.989 3.447 1.00 71.11 H new ATOM 0 HG1 THR A 60 2.888 -10.157 2.688 1.00 70.13 H new ATOM 0 HG21 THR A 60 4.022 -9.422 4.658 1.00 24.15 H new ATOM 0 HG22 THR A 60 3.115 -8.366 5.766 1.00 24.15 H new ATOM 0 HG23 THR A 60 2.686 -10.088 5.627 1.00 24.15 H new ATOM 689 N GLU A 61 -1.284 -10.010 4.380 1.00 60.23 N ATOM 690 CA GLU A 61 -2.068 -11.219 4.605 1.00 51.20 C ATOM 691 C GLU A 61 -2.814 -11.627 3.338 1.00 32.20 C ATOM 692 O GLU A 61 -2.928 -10.848 2.392 1.00 54.44 O ATOM 693 CB GLU A 61 -3.062 -11.003 5.748 1.00 0.11 C ATOM 694 CG GLU A 61 -2.782 -11.864 6.969 1.00 51.44 C ATOM 695 CD GLU A 61 -3.858 -12.906 7.207 1.00 43.52 C ATOM 696 OE1 GLU A 61 -5.053 -12.560 7.101 1.00 21.12 O ATOM 697 OE2 GLU A 61 -3.503 -14.067 7.499 1.00 73.02 O ATOM 0 H GLU A 61 -1.768 -9.285 3.851 1.00 60.23 H new ATOM 0 HA GLU A 61 -1.382 -12.021 4.876 1.00 51.20 H new ATOM 0 HB2 GLU A 61 -3.043 -9.953 6.042 1.00 0.11 H new ATOM 0 HB3 GLU A 61 -4.069 -11.215 5.388 1.00 0.11 H new ATOM 0 HG2 GLU A 61 -1.820 -12.362 6.845 1.00 51.44 H new ATOM 0 HG3 GLU A 61 -2.699 -11.225 7.848 1.00 51.44 H new ATOM 704 N THR A 62 -3.321 -12.856 3.327 1.00 61.32 N ATOM 705 CA THR A 62 -4.054 -13.370 2.177 1.00 33.21 C ATOM 706 C THR A 62 -5.444 -13.850 2.581 1.00 41.52 C ATOM 707 O THR A 62 -5.585 -14.804 3.344 1.00 4.13 O ATOM 708 CB THR A 62 -3.299 -14.531 1.502 1.00 14.11 C ATOM 709 OG1 THR A 62 -3.216 -15.647 2.396 1.00 51.41 O ATOM 710 CG2 THR A 62 -1.900 -14.099 1.090 1.00 31.30 C ATOM 0 H THR A 62 -3.237 -13.514 4.102 1.00 61.32 H new ATOM 0 HA THR A 62 -4.148 -12.547 1.469 1.00 33.21 H new ATOM 0 HB THR A 62 -3.850 -14.823 0.608 1.00 14.11 H new ATOM 0 HG1 THR A 62 -4.016 -15.674 2.961 1.00 51.41 H new ATOM 0 HG21 THR A 62 -1.386 -14.935 0.616 1.00 31.30 H new ATOM 0 HG22 THR A 62 -1.968 -13.269 0.387 1.00 31.30 H new ATOM 0 HG23 THR A 62 -1.342 -13.783 1.972 1.00 31.30 H new ATOM 718 N GLY A 63 -6.470 -13.181 2.062 1.00 4.23 N ATOM 719 CA GLY A 63 -7.835 -13.554 2.380 1.00 35.13 C ATOM 720 C GLY A 63 -8.551 -14.192 1.206 1.00 43.43 C ATOM 721 O GLY A 63 -7.921 -14.817 0.353 1.00 32.24 O ATOM 0 H GLY A 63 -6.379 -12.388 1.427 1.00 4.23 H new ATOM 0 HA2 GLY A 63 -7.832 -14.248 3.220 1.00 35.13 H new ATOM 0 HA3 GLY A 63 -8.385 -12.669 2.699 1.00 35.13 H new ATOM 725 N GLU A 64 -9.870 -14.034 1.162 1.00 60.04 N ATOM 726 CA GLU A 64 -10.671 -14.602 0.084 1.00 41.14 C ATOM 727 C GLU A 64 -10.567 -13.750 -1.178 1.00 64.44 C ATOM 728 O GLU A 64 -10.788 -14.235 -2.287 1.00 51.14 O ATOM 729 CB GLU A 64 -12.135 -14.719 0.513 1.00 22.32 C ATOM 730 CG GLU A 64 -12.854 -13.383 0.596 1.00 22.40 C ATOM 731 CD GLU A 64 -14.069 -13.430 1.502 1.00 73.25 C ATOM 732 OE1 GLU A 64 -13.888 -13.553 2.731 1.00 22.21 O ATOM 733 OE2 GLU A 64 -15.201 -13.344 0.981 1.00 31.22 O ATOM 0 H GLU A 64 -10.406 -13.518 1.860 1.00 60.04 H new ATOM 0 HA GLU A 64 -10.284 -15.597 -0.136 1.00 41.14 H new ATOM 0 HB2 GLU A 64 -12.661 -15.362 -0.193 1.00 22.32 H new ATOM 0 HB3 GLU A 64 -12.182 -15.208 1.486 1.00 22.32 H new ATOM 0 HG2 GLU A 64 -12.162 -12.624 0.961 1.00 22.40 H new ATOM 0 HG3 GLU A 64 -13.163 -13.078 -0.404 1.00 22.40 H new ATOM 740 N GLY A 65 -10.228 -12.477 -1.000 1.00 22.10 N ATOM 741 CA GLY A 65 -10.101 -11.578 -2.132 1.00 4.43 C ATOM 742 C GLY A 65 -8.800 -11.774 -2.885 1.00 71.33 C ATOM 743 O GLY A 65 -8.527 -12.862 -3.392 1.00 53.25 O ATOM 0 H GLY A 65 -10.039 -12.052 -0.092 1.00 22.10 H new ATOM 0 HA2 GLY A 65 -10.938 -11.735 -2.812 1.00 4.43 H new ATOM 0 HA3 GLY A 65 -10.163 -10.547 -1.782 1.00 4.43 H new ATOM 747 N ALA A 66 -7.996 -10.719 -2.960 1.00 51.24 N ATOM 748 CA ALA A 66 -6.717 -10.781 -3.657 1.00 54.43 C ATOM 749 C ALA A 66 -5.567 -10.406 -2.729 1.00 14.24 C ATOM 750 O ALA A 66 -4.836 -11.272 -2.250 1.00 35.24 O ATOM 751 CB ALA A 66 -6.735 -9.867 -4.874 1.00 62.31 C ATOM 0 H ALA A 66 -8.208 -9.811 -2.547 1.00 51.24 H new ATOM 0 HA ALA A 66 -6.561 -11.808 -3.989 1.00 54.43 H new ATOM 0 HB1 ALA A 66 -5.774 -9.923 -5.385 1.00 62.31 H new ATOM 0 HB2 ALA A 66 -7.527 -10.182 -5.554 1.00 62.31 H new ATOM 0 HB3 ALA A 66 -6.917 -8.841 -4.556 1.00 62.31 H new ATOM 757 N ALA A 67 -5.413 -9.110 -2.479 1.00 43.41 N ATOM 758 CA ALA A 67 -4.352 -8.621 -1.607 1.00 13.23 C ATOM 759 C ALA A 67 -4.899 -8.249 -0.233 1.00 14.21 C ATOM 760 O ALA A 67 -5.346 -7.123 -0.016 1.00 40.34 O ATOM 761 CB ALA A 67 -3.656 -7.426 -2.241 1.00 1.10 C ATOM 0 H ALA A 67 -6.010 -8.380 -2.868 1.00 43.41 H new ATOM 0 HA ALA A 67 -3.625 -9.423 -1.475 1.00 13.23 H new ATOM 0 HB1 ALA A 67 -2.866 -7.071 -1.579 1.00 1.10 H new ATOM 0 HB2 ALA A 67 -3.223 -7.722 -3.196 1.00 1.10 H new ATOM 0 HB3 ALA A 67 -4.380 -6.627 -2.403 1.00 1.10 H new ATOM 767 N ALA A 68 -4.862 -9.202 0.692 1.00 60.50 N ATOM 768 CA ALA A 68 -5.353 -8.974 2.045 1.00 0.02 C ATOM 769 C ALA A 68 -4.281 -8.328 2.916 1.00 11.33 C ATOM 770 O ALA A 68 -3.704 -8.975 3.790 1.00 63.31 O ATOM 771 CB ALA A 68 -5.821 -10.282 2.665 1.00 71.42 C ATOM 0 H ALA A 68 -4.497 -10.140 0.529 1.00 60.50 H new ATOM 0 HA ALA A 68 -6.199 -8.289 1.987 1.00 0.02 H new ATOM 0 HB1 ALA A 68 -6.185 -10.096 3.675 1.00 71.42 H new ATOM 0 HB2 ALA A 68 -6.625 -10.704 2.062 1.00 71.42 H new ATOM 0 HB3 ALA A 68 -4.989 -10.985 2.703 1.00 71.42 H new ATOM 777 N TYR A 69 -4.019 -7.048 2.672 1.00 34.54 N ATOM 778 CA TYR A 69 -3.014 -6.316 3.433 1.00 51.52 C ATOM 779 C TYR A 69 -3.671 -5.337 4.402 1.00 45.00 C ATOM 780 O TYR A 69 -4.861 -5.044 4.295 1.00 5.13 O ATOM 781 CB TYR A 69 -2.077 -5.563 2.487 1.00 54.53 C ATOM 782 CG TYR A 69 -1.573 -6.405 1.337 1.00 53.24 C ATOM 783 CD1 TYR A 69 -1.267 -7.748 1.516 1.00 72.32 C ATOM 784 CD2 TYR A 69 -1.402 -5.857 0.071 1.00 32.22 C ATOM 785 CE1 TYR A 69 -0.806 -8.522 0.468 1.00 3.32 C ATOM 786 CE2 TYR A 69 -0.943 -6.623 -0.982 1.00 63.34 C ATOM 787 CZ TYR A 69 -0.646 -7.955 -0.779 1.00 4.20 C ATOM 788 OH TYR A 69 -0.186 -8.721 -1.826 1.00 12.13 O ATOM 0 H TYR A 69 -4.489 -6.497 1.954 1.00 34.54 H new ATOM 0 HA TYR A 69 -2.435 -7.037 4.010 1.00 51.52 H new ATOM 0 HB2 TYR A 69 -2.599 -4.693 2.088 1.00 54.53 H new ATOM 0 HB3 TYR A 69 -1.224 -5.190 3.054 1.00 54.53 H new ATOM 0 HD1 TYR A 69 -1.392 -8.195 2.491 1.00 72.32 H new ATOM 0 HD2 TYR A 69 -1.632 -4.814 -0.092 1.00 32.22 H new ATOM 0 HE1 TYR A 69 -0.572 -9.565 0.625 1.00 3.32 H new ATOM 0 HE2 TYR A 69 -0.817 -6.182 -1.960 1.00 63.34 H new ATOM 0 HH TYR A 69 -0.131 -8.170 -2.635 1.00 12.13 H new ATOM 798 N GLY A 70 -2.884 -4.834 5.348 1.00 3.15 N ATOM 799 CA GLY A 70 -3.404 -3.893 6.323 1.00 32.23 C ATOM 800 C GLY A 70 -2.370 -2.872 6.753 1.00 50.54 C ATOM 801 O GLY A 70 -1.392 -3.210 7.419 1.00 2.22 O ATOM 0 H GLY A 70 -1.896 -5.061 5.457 1.00 3.15 H new ATOM 0 HA2 GLY A 70 -4.266 -3.377 5.901 1.00 32.23 H new ATOM 0 HA3 GLY A 70 -3.757 -4.439 7.198 1.00 32.23 H new ATOM 805 N VAL A 71 -2.585 -1.617 6.369 1.00 62.12 N ATOM 806 CA VAL A 71 -1.663 -0.542 6.718 1.00 73.43 C ATOM 807 C VAL A 71 -2.211 0.301 7.864 1.00 60.23 C ATOM 808 O VAL A 71 -3.258 0.937 7.736 1.00 70.12 O ATOM 809 CB VAL A 71 -1.384 0.372 5.510 1.00 31.20 C ATOM 810 CG1 VAL A 71 -2.680 0.965 4.979 1.00 41.43 C ATOM 811 CG2 VAL A 71 -0.401 1.469 5.889 1.00 12.30 C ATOM 0 H VAL A 71 -3.389 -1.320 5.816 1.00 62.12 H new ATOM 0 HA VAL A 71 -0.731 -1.013 7.031 1.00 73.43 H new ATOM 0 HB VAL A 71 -0.936 -0.228 4.718 1.00 31.20 H new ATOM 0 HG11 VAL A 71 -2.463 1.608 4.126 1.00 41.43 H new ATOM 0 HG12 VAL A 71 -3.347 0.161 4.668 1.00 41.43 H new ATOM 0 HG13 VAL A 71 -3.160 1.551 5.763 1.00 41.43 H new ATOM 0 HG21 VAL A 71 -0.215 2.106 5.024 1.00 12.30 H new ATOM 0 HG22 VAL A 71 -0.819 2.069 6.698 1.00 12.30 H new ATOM 0 HG23 VAL A 71 0.536 1.020 6.217 1.00 12.30 H new ATOM 821 N LEU A 72 -1.497 0.302 8.984 1.00 43.13 N ATOM 822 CA LEU A 72 -1.910 1.068 10.154 1.00 14.31 C ATOM 823 C LEU A 72 -1.066 2.330 10.306 1.00 72.34 C ATOM 824 O LEU A 72 0.124 2.334 9.992 1.00 42.12 O ATOM 825 CB LEU A 72 -1.797 0.211 11.416 1.00 73.33 C ATOM 826 CG LEU A 72 -0.914 -1.032 11.305 1.00 25.33 C ATOM 827 CD1 LEU A 72 -1.565 -2.073 10.408 1.00 52.45 C ATOM 828 CD2 LEU A 72 0.466 -0.661 10.780 1.00 32.04 C ATOM 0 H LEU A 72 -0.629 -0.219 9.106 1.00 43.13 H new ATOM 0 HA LEU A 72 -2.950 1.363 10.014 1.00 14.31 H new ATOM 0 HB2 LEU A 72 -1.411 0.835 12.222 1.00 73.33 H new ATOM 0 HB3 LEU A 72 -2.799 -0.104 11.708 1.00 73.33 H new ATOM 0 HG LEU A 72 -0.799 -1.462 12.300 1.00 25.33 H new ATOM 0 HD11 LEU A 72 -0.921 -2.950 10.342 1.00 52.45 H new ATOM 0 HD12 LEU A 72 -2.529 -2.362 10.826 1.00 52.45 H new ATOM 0 HD13 LEU A 72 -1.712 -1.655 9.412 1.00 52.45 H new ATOM 0 HD21 LEU A 72 1.081 -1.558 10.707 1.00 32.04 H new ATOM 0 HD22 LEU A 72 0.370 -0.206 9.794 1.00 32.04 H new ATOM 0 HD23 LEU A 72 0.936 0.047 11.462 1.00 32.04 H new ATOM 840 N VAL A 73 -1.690 3.399 10.791 1.00 72.54 N ATOM 841 CA VAL A 73 -0.996 4.665 10.987 1.00 2.43 C ATOM 842 C VAL A 73 -1.619 5.463 12.128 1.00 72.55 C ATOM 843 O VAL A 73 -2.790 5.841 12.069 1.00 62.40 O ATOM 844 CB VAL A 73 -1.015 5.521 9.707 1.00 75.13 C ATOM 845 CG1 VAL A 73 -0.162 4.880 8.623 1.00 1.10 C ATOM 846 CG2 VAL A 73 -2.444 5.722 9.223 1.00 64.03 C ATOM 0 H VAL A 73 -2.675 3.413 11.055 1.00 72.54 H new ATOM 0 HA VAL A 73 0.037 4.423 11.238 1.00 2.43 H new ATOM 0 HB VAL A 73 -0.592 6.499 9.938 1.00 75.13 H new ATOM 0 HG11 VAL A 73 -0.188 5.499 7.726 1.00 1.10 H new ATOM 0 HG12 VAL A 73 0.866 4.792 8.974 1.00 1.10 H new ATOM 0 HG13 VAL A 73 -0.552 3.889 8.391 1.00 1.10 H new ATOM 0 HG21 VAL A 73 -2.440 6.329 8.318 1.00 64.03 H new ATOM 0 HG22 VAL A 73 -2.895 4.753 9.008 1.00 64.03 H new ATOM 0 HG23 VAL A 73 -3.022 6.228 9.996 1.00 64.03 H new ATOM 856 N THR A 74 -0.829 5.716 13.166 1.00 11.13 N ATOM 857 CA THR A 74 -1.303 6.468 14.321 1.00 21.14 C ATOM 858 C THR A 74 -0.141 6.918 15.199 1.00 45.01 C ATOM 859 O THR A 74 0.883 7.384 14.698 1.00 1.15 O ATOM 860 CB THR A 74 -2.280 5.635 15.172 1.00 75.34 C ATOM 861 OG1 THR A 74 -3.123 4.849 14.321 1.00 42.23 O ATOM 862 CG2 THR A 74 -3.136 6.535 16.050 1.00 74.31 C ATOM 0 H THR A 74 0.142 5.411 13.231 1.00 11.13 H new ATOM 0 HA THR A 74 -1.824 7.344 13.935 1.00 21.14 H new ATOM 0 HB THR A 74 -1.696 4.976 15.815 1.00 75.34 H new ATOM 0 HG1 THR A 74 -3.400 5.386 13.549 1.00 42.23 H new ATOM 0 HG21 THR A 74 -3.818 5.924 16.642 1.00 74.31 H new ATOM 0 HG22 THR A 74 -2.494 7.111 16.716 1.00 74.31 H new ATOM 0 HG23 THR A 74 -3.711 7.216 15.422 1.00 74.31 H new ATOM 870 N ARG A 75 -0.305 6.775 16.510 1.00 50.11 N ATOM 871 CA ARG A 75 0.731 7.168 17.457 1.00 23.22 C ATOM 872 C ARG A 75 1.484 5.946 17.977 1.00 14.43 C ATOM 873 O ARG A 75 0.938 4.848 18.080 1.00 73.32 O ATOM 874 CB ARG A 75 0.117 7.938 18.627 1.00 10.25 C ATOM 875 CG ARG A 75 0.600 9.375 18.731 1.00 4.43 C ATOM 876 CD ARG A 75 -0.561 10.357 18.705 1.00 22.04 C ATOM 877 NE ARG A 75 -0.121 11.731 18.929 1.00 2.50 N ATOM 878 CZ ARG A 75 0.255 12.199 20.114 1.00 1.21 C ATOM 879 NH1 ARG A 75 0.245 11.407 21.177 1.00 72.40 N ATOM 880 NH2 ARG A 75 0.643 13.462 20.238 1.00 52.23 N ATOM 0 H ARG A 75 -1.146 6.390 16.940 1.00 50.11 H new ATOM 0 HA ARG A 75 1.438 7.815 16.937 1.00 23.22 H new ATOM 0 HB2 ARG A 75 -0.968 7.935 18.523 1.00 10.25 H new ATOM 0 HB3 ARG A 75 0.350 7.417 19.556 1.00 10.25 H new ATOM 0 HG2 ARG A 75 1.166 9.504 19.654 1.00 4.43 H new ATOM 0 HG3 ARG A 75 1.280 9.592 17.907 1.00 4.43 H new ATOM 0 HD2 ARG A 75 -1.070 10.292 17.743 1.00 22.04 H new ATOM 0 HD3 ARG A 75 -1.287 10.080 19.469 1.00 22.04 H new ATOM 0 HE ARG A 75 -0.101 12.367 18.132 1.00 2.50 H new ATOM 0 HH11 ARG A 75 -0.052 10.435 21.086 1.00 72.40 H new ATOM 0 HH12 ARG A 75 0.534 11.769 22.086 1.00 72.40 H new ATOM 0 HH21 ARG A 75 0.653 14.075 19.423 1.00 52.23 H new ATOM 0 HH22 ARG A 75 0.931 13.820 21.149 1.00 52.23 H new ATOM 894 N PRO A 76 2.768 6.141 18.313 1.00 35.24 N ATOM 895 CA PRO A 76 3.622 5.067 18.828 1.00 23.14 C ATOM 896 C PRO A 76 3.219 4.628 20.232 1.00 63.10 C ATOM 897 O PRO A 76 3.898 3.813 20.857 1.00 64.24 O ATOM 898 CB PRO A 76 5.016 5.700 18.846 1.00 52.15 C ATOM 899 CG PRO A 76 4.765 7.164 18.959 1.00 2.24 C ATOM 900 CD PRO A 76 3.483 7.424 18.217 1.00 25.12 C ATOM 0 HA PRO A 76 3.555 4.166 18.218 1.00 23.14 H new ATOM 0 HB2 PRO A 76 5.607 5.333 19.686 1.00 52.15 H new ATOM 0 HB3 PRO A 76 5.571 5.462 17.938 1.00 52.15 H new ATOM 0 HG2 PRO A 76 4.679 7.466 20.003 1.00 2.24 H new ATOM 0 HG3 PRO A 76 5.588 7.735 18.529 1.00 2.24 H new ATOM 0 HD2 PRO A 76 2.914 8.236 18.670 1.00 25.12 H new ATOM 0 HD3 PRO A 76 3.668 7.704 17.180 1.00 25.12 H new ATOM 908 N ASP A 77 2.111 5.173 20.722 1.00 62.42 N ATOM 909 CA ASP A 77 1.617 4.836 22.052 1.00 72.33 C ATOM 910 C ASP A 77 0.744 3.585 22.006 1.00 1.34 C ATOM 911 O ASP A 77 -0.235 3.472 22.743 1.00 41.22 O ATOM 912 CB ASP A 77 0.823 6.006 22.636 1.00 64.42 C ATOM 913 CG ASP A 77 0.422 5.770 24.078 1.00 33.25 C ATOM 914 OD1 ASP A 77 1.250 5.236 24.846 1.00 42.02 O ATOM 915 OD2 ASP A 77 -0.721 6.120 24.441 1.00 61.35 O ATOM 0 H ASP A 77 1.538 5.850 20.218 1.00 62.42 H new ATOM 0 HA ASP A 77 2.476 4.635 22.692 1.00 72.33 H new ATOM 0 HB2 ASP A 77 1.421 6.915 22.572 1.00 64.42 H new ATOM 0 HB3 ASP A 77 -0.072 6.170 22.035 1.00 64.42 H new ATOM 920 N GLY A 78 1.106 2.648 21.135 1.00 10.21 N ATOM 921 CA GLY A 78 0.345 1.419 21.009 1.00 51.01 C ATOM 922 C GLY A 78 -0.899 1.592 20.160 1.00 31.03 C ATOM 923 O GLY A 78 -1.571 0.617 19.823 1.00 32.41 O ATOM 0 H GLY A 78 1.913 2.718 20.515 1.00 10.21 H new ATOM 0 HA2 GLY A 78 0.977 0.647 20.569 1.00 51.01 H new ATOM 0 HA3 GLY A 78 0.059 1.069 22.001 1.00 51.01 H new ATOM 927 N THR A 79 -1.209 2.838 19.814 1.00 34.44 N ATOM 928 CA THR A 79 -2.382 3.136 19.003 1.00 75.34 C ATOM 929 C THR A 79 -2.030 3.172 17.520 1.00 74.41 C ATOM 930 O THR A 79 -1.130 3.900 17.104 1.00 42.44 O ATOM 931 CB THR A 79 -3.014 4.483 19.401 1.00 20.14 C ATOM 932 OG1 THR A 79 -4.056 4.827 18.482 1.00 75.41 O ATOM 933 CG2 THR A 79 -1.967 5.586 19.424 1.00 64.02 C ATOM 0 H THR A 79 -0.663 3.657 20.083 1.00 34.44 H new ATOM 0 HA THR A 79 -3.102 2.338 19.184 1.00 75.34 H new ATOM 0 HB THR A 79 -3.433 4.380 20.402 1.00 20.14 H new ATOM 0 HG1 THR A 79 -4.453 5.684 18.744 1.00 75.41 H new ATOM 0 HG21 THR A 79 -2.437 6.528 19.708 1.00 64.02 H new ATOM 0 HG22 THR A 79 -1.191 5.336 20.147 1.00 64.02 H new ATOM 0 HG23 THR A 79 -1.522 5.686 18.434 1.00 64.02 H new ATOM 941 N ARG A 80 -2.747 2.381 16.727 1.00 5.02 N ATOM 942 CA ARG A 80 -2.509 2.322 15.290 1.00 43.40 C ATOM 943 C ARG A 80 -3.818 2.136 14.529 1.00 33.34 C ATOM 944 O ARG A 80 -4.725 1.445 14.994 1.00 73.00 O ATOM 945 CB ARG A 80 -1.546 1.181 14.957 1.00 40.21 C ATOM 946 CG ARG A 80 -1.342 0.203 16.102 1.00 60.31 C ATOM 947 CD ARG A 80 -1.814 -1.195 15.731 1.00 4.33 C ATOM 948 NE ARG A 80 -2.287 -1.939 16.895 1.00 23.31 N ATOM 949 CZ ARG A 80 -3.235 -2.867 16.838 1.00 73.51 C ATOM 950 NH1 ARG A 80 -3.809 -3.164 15.680 1.00 45.44 N ATOM 951 NH2 ARG A 80 -3.612 -3.502 17.941 1.00 41.13 N ATOM 0 H ARG A 80 -3.497 1.773 17.056 1.00 5.02 H new ATOM 0 HA ARG A 80 -2.061 3.267 14.982 1.00 43.40 H new ATOM 0 HB2 ARG A 80 -1.924 0.639 14.090 1.00 40.21 H new ATOM 0 HB3 ARG A 80 -0.581 1.602 14.674 1.00 40.21 H new ATOM 0 HG2 ARG A 80 -0.286 0.172 16.372 1.00 60.31 H new ATOM 0 HG3 ARG A 80 -1.886 0.551 16.980 1.00 60.31 H new ATOM 0 HD2 ARG A 80 -2.616 -1.124 14.996 1.00 4.33 H new ATOM 0 HD3 ARG A 80 -0.997 -1.741 15.260 1.00 4.33 H new ATOM 0 HE ARG A 80 -1.866 -1.735 17.801 1.00 23.31 H new ATOM 0 HH11 ARG A 80 -3.523 -2.679 14.830 1.00 45.44 H new ATOM 0 HH12 ARG A 80 -4.537 -3.877 15.640 1.00 45.44 H new ATOM 0 HH21 ARG A 80 -3.173 -3.277 18.834 1.00 41.13 H new ATOM 0 HH22 ARG A 80 -4.340 -4.215 17.896 1.00 41.13 H new ATOM 965 N VAL A 81 -3.910 2.757 13.358 1.00 70.23 N ATOM 966 CA VAL A 81 -5.108 2.659 12.532 1.00 22.02 C ATOM 967 C VAL A 81 -4.882 1.731 11.344 1.00 40.12 C ATOM 968 O VAL A 81 -4.476 2.171 10.269 1.00 0.50 O ATOM 969 CB VAL A 81 -5.547 4.041 12.014 1.00 42.40 C ATOM 970 CG1 VAL A 81 -6.756 3.910 11.101 1.00 52.21 C ATOM 971 CG2 VAL A 81 -5.845 4.976 13.177 1.00 72.32 C ATOM 0 H VAL A 81 -3.169 3.334 12.959 1.00 70.23 H new ATOM 0 HA VAL A 81 -5.896 2.249 13.164 1.00 22.02 H new ATOM 0 HB VAL A 81 -4.729 4.469 11.434 1.00 42.40 H new ATOM 0 HG11 VAL A 81 -7.052 4.897 10.745 1.00 52.21 H new ATOM 0 HG12 VAL A 81 -6.502 3.278 10.250 1.00 52.21 H new ATOM 0 HG13 VAL A 81 -7.582 3.461 11.653 1.00 52.21 H new ATOM 0 HG21 VAL A 81 -6.154 5.948 12.792 1.00 72.32 H new ATOM 0 HG22 VAL A 81 -6.645 4.556 13.786 1.00 72.32 H new ATOM 0 HG23 VAL A 81 -4.949 5.095 13.787 1.00 72.32 H new ATOM 981 N GLU A 82 -5.149 0.444 11.546 1.00 45.44 N ATOM 982 CA GLU A 82 -4.974 -0.546 10.490 1.00 43.14 C ATOM 983 C GLU A 82 -6.045 -0.389 9.414 1.00 45.12 C ATOM 984 O GLU A 82 -7.241 -0.449 9.699 1.00 4.41 O ATOM 985 CB GLU A 82 -5.024 -1.960 11.072 1.00 11.34 C ATOM 986 CG GLU A 82 -6.389 -2.345 11.618 1.00 40.12 C ATOM 987 CD GLU A 82 -7.210 -3.145 10.625 1.00 43.43 C ATOM 988 OE1 GLU A 82 -6.887 -3.102 9.419 1.00 65.50 O ATOM 989 OE2 GLU A 82 -8.175 -3.812 11.052 1.00 4.34 O ATOM 0 H GLU A 82 -5.487 0.063 12.430 1.00 45.44 H new ATOM 0 HA GLU A 82 -3.998 -0.383 10.033 1.00 43.14 H new ATOM 0 HB2 GLU A 82 -4.737 -2.673 10.299 1.00 11.34 H new ATOM 0 HB3 GLU A 82 -4.286 -2.042 11.870 1.00 11.34 H new ATOM 0 HG2 GLU A 82 -6.260 -2.928 12.530 1.00 40.12 H new ATOM 0 HG3 GLU A 82 -6.935 -1.442 11.891 1.00 40.12 H new ATOM 996 N VAL A 83 -5.606 -0.187 8.175 1.00 23.13 N ATOM 997 CA VAL A 83 -6.525 -0.022 7.056 1.00 52.21 C ATOM 998 C VAL A 83 -6.619 -1.299 6.228 1.00 4.33 C ATOM 999 O VAL A 83 -5.614 -1.966 5.981 1.00 45.13 O ATOM 1000 CB VAL A 83 -6.093 1.139 6.141 1.00 4.40 C ATOM 1001 CG1 VAL A 83 -7.183 1.456 5.129 1.00 44.34 C ATOM 1002 CG2 VAL A 83 -5.748 2.369 6.968 1.00 21.31 C ATOM 0 H VAL A 83 -4.619 -0.134 7.922 1.00 23.13 H new ATOM 0 HA VAL A 83 -7.503 0.205 7.481 1.00 52.21 H new ATOM 0 HB VAL A 83 -5.201 0.835 5.594 1.00 4.40 H new ATOM 0 HG11 VAL A 83 -6.859 2.279 4.492 1.00 44.34 H new ATOM 0 HG12 VAL A 83 -7.377 0.576 4.515 1.00 44.34 H new ATOM 0 HG13 VAL A 83 -8.095 1.741 5.654 1.00 44.34 H new ATOM 0 HG21 VAL A 83 -5.445 3.180 6.305 1.00 21.31 H new ATOM 0 HG22 VAL A 83 -6.621 2.678 7.543 1.00 21.31 H new ATOM 0 HG23 VAL A 83 -4.930 2.132 7.649 1.00 21.31 H new ATOM 1012 N HIS A 84 -7.832 -1.634 5.802 1.00 13.31 N ATOM 1013 CA HIS A 84 -8.058 -2.831 5.000 1.00 25.24 C ATOM 1014 C HIS A 84 -7.920 -2.523 3.513 1.00 41.35 C ATOM 1015 O HIS A 84 -8.706 -1.759 2.951 1.00 53.12 O ATOM 1016 CB HIS A 84 -9.444 -3.409 5.287 1.00 24.42 C ATOM 1017 CG HIS A 84 -9.450 -4.898 5.448 1.00 21.41 C ATOM 1018 ND1 HIS A 84 -10.379 -5.568 6.216 1.00 25.53 N ATOM 1019 CD2 HIS A 84 -8.635 -5.848 4.933 1.00 64.04 C ATOM 1020 CE1 HIS A 84 -10.133 -6.866 6.168 1.00 51.42 C ATOM 1021 NE2 HIS A 84 -9.080 -7.062 5.395 1.00 11.10 N ATOM 0 H HIS A 84 -8.674 -1.093 5.999 1.00 13.31 H new ATOM 0 HA HIS A 84 -7.302 -3.568 5.272 1.00 25.24 H new ATOM 0 HB2 HIS A 84 -9.838 -2.952 6.195 1.00 24.42 H new ATOM 0 HB3 HIS A 84 -10.118 -3.137 4.474 1.00 24.42 H new ATOM 0 HD2 HIS A 84 -7.791 -5.682 4.280 1.00 64.04 H new ATOM 0 HE1 HIS A 84 -10.697 -7.635 6.675 1.00 51.42 H new ATOM 0 HE2 HIS A 84 -8.665 -7.968 5.177 1.00 11.10 H new ATOM 1029 N LEU A 85 -6.916 -3.120 2.880 1.00 73.31 N ATOM 1030 CA LEU A 85 -6.675 -2.909 1.457 1.00 61.03 C ATOM 1031 C LEU A 85 -6.623 -4.238 0.710 1.00 70.00 C ATOM 1032 O LEU A 85 -5.644 -4.978 0.806 1.00 3.24 O ATOM 1033 CB LEU A 85 -5.367 -2.143 1.249 1.00 31.14 C ATOM 1034 CG LEU A 85 -4.794 -1.448 2.484 1.00 5.45 C ATOM 1035 CD1 LEU A 85 -5.875 -0.652 3.200 1.00 63.34 C ATOM 1036 CD2 LEU A 85 -4.166 -2.465 3.426 1.00 11.13 C ATOM 0 H LEU A 85 -6.256 -3.754 3.330 1.00 73.31 H new ATOM 0 HA LEU A 85 -7.501 -2.321 1.058 1.00 61.03 H new ATOM 0 HB2 LEU A 85 -4.619 -2.838 0.868 1.00 31.14 H new ATOM 0 HB3 LEU A 85 -5.528 -1.392 0.476 1.00 31.14 H new ATOM 0 HG LEU A 85 -4.017 -0.756 2.159 1.00 5.45 H new ATOM 0 HD11 LEU A 85 -5.448 -0.165 4.076 1.00 63.34 H new ATOM 0 HD12 LEU A 85 -6.278 0.103 2.525 1.00 63.34 H new ATOM 0 HD13 LEU A 85 -6.675 -1.324 3.512 1.00 63.34 H new ATOM 0 HD21 LEU A 85 -3.763 -1.952 4.299 1.00 11.13 H new ATOM 0 HD22 LEU A 85 -4.923 -3.183 3.743 1.00 11.13 H new ATOM 0 HD23 LEU A 85 -3.362 -2.990 2.911 1.00 11.13 H new ATOM 1048 N ASP A 86 -7.682 -4.533 -0.035 1.00 71.54 N ATOM 1049 CA ASP A 86 -7.756 -5.772 -0.802 1.00 13.11 C ATOM 1050 C ASP A 86 -8.273 -5.508 -2.213 1.00 3.32 C ATOM 1051 O ASP A 86 -9.305 -4.863 -2.396 1.00 13.23 O ATOM 1052 CB ASP A 86 -8.662 -6.781 -0.094 1.00 71.15 C ATOM 1053 CG ASP A 86 -8.369 -6.881 1.390 1.00 60.34 C ATOM 1054 OD1 ASP A 86 -7.288 -6.422 1.813 1.00 50.52 O ATOM 1055 OD2 ASP A 86 -9.220 -7.420 2.128 1.00 73.22 O ATOM 0 H ASP A 86 -8.501 -3.932 -0.125 1.00 71.54 H new ATOM 0 HA ASP A 86 -6.750 -6.186 -0.875 1.00 13.11 H new ATOM 0 HB2 ASP A 86 -9.703 -6.493 -0.237 1.00 71.15 H new ATOM 0 HB3 ASP A 86 -8.537 -7.762 -0.553 1.00 71.15 H new ATOM 1060 N ARG A 87 -7.547 -6.009 -3.207 1.00 20.33 N ATOM 1061 CA ARG A 87 -7.931 -5.825 -4.601 1.00 64.42 C ATOM 1062 C ARG A 87 -9.322 -6.395 -4.862 1.00 22.30 C ATOM 1063 O ARG A 87 -9.776 -6.452 -6.005 1.00 11.11 O ATOM 1064 CB ARG A 87 -6.912 -6.495 -5.525 1.00 61.41 C ATOM 1065 CG ARG A 87 -6.815 -5.847 -6.897 1.00 31.44 C ATOM 1066 CD ARG A 87 -7.411 -6.737 -7.976 1.00 64.34 C ATOM 1067 NE ARG A 87 -7.664 -6.003 -9.213 1.00 12.42 N ATOM 1068 CZ ARG A 87 -7.797 -6.585 -10.399 1.00 40.45 C ATOM 1069 NH1 ARG A 87 -7.701 -7.902 -10.510 1.00 31.33 N ATOM 1070 NH2 ARG A 87 -8.027 -5.848 -11.479 1.00 63.00 N ATOM 0 H ARG A 87 -6.690 -6.545 -3.073 1.00 20.33 H new ATOM 0 HA ARG A 87 -7.951 -4.755 -4.808 1.00 64.42 H new ATOM 0 HB2 ARG A 87 -5.931 -6.469 -5.050 1.00 61.41 H new ATOM 0 HB3 ARG A 87 -7.179 -7.545 -5.646 1.00 61.41 H new ATOM 0 HG2 ARG A 87 -7.335 -4.889 -6.886 1.00 31.44 H new ATOM 0 HG3 ARG A 87 -5.770 -5.640 -7.130 1.00 31.44 H new ATOM 0 HD2 ARG A 87 -6.732 -7.565 -8.178 1.00 64.34 H new ATOM 0 HD3 ARG A 87 -8.344 -7.170 -7.614 1.00 64.34 H new ATOM 0 HE ARG A 87 -7.743 -4.987 -9.163 1.00 12.42 H new ATOM 0 HH11 ARG A 87 -7.524 -8.472 -9.683 1.00 31.33 H new ATOM 0 HH12 ARG A 87 -7.804 -8.346 -11.423 1.00 31.33 H new ATOM 0 HH21 ARG A 87 -8.102 -4.834 -11.398 1.00 63.00 H new ATOM 0 HH22 ARG A 87 -8.129 -6.296 -12.390 1.00 63.00 H new ATOM 1084 N ASP A 88 -9.992 -6.817 -3.795 1.00 53.44 N ATOM 1085 CA ASP A 88 -11.332 -7.382 -3.908 1.00 42.24 C ATOM 1086 C ASP A 88 -12.324 -6.334 -4.403 1.00 42.31 C ATOM 1087 O ASP A 88 -13.487 -6.640 -4.665 1.00 52.13 O ATOM 1088 CB ASP A 88 -11.789 -7.938 -2.559 1.00 72.32 C ATOM 1089 CG ASP A 88 -12.533 -9.252 -2.697 1.00 22.21 C ATOM 1090 OD1 ASP A 88 -12.948 -9.583 -3.827 1.00 51.21 O ATOM 1091 OD2 ASP A 88 -12.700 -9.950 -1.674 1.00 53.43 O ATOM 0 H ASP A 88 -9.629 -6.779 -2.842 1.00 53.44 H new ATOM 0 HA ASP A 88 -11.297 -8.194 -4.634 1.00 42.24 H new ATOM 0 HB2 ASP A 88 -10.921 -8.081 -1.915 1.00 72.32 H new ATOM 0 HB3 ASP A 88 -12.433 -7.209 -2.068 1.00 72.32 H new ATOM 1096 N PHE A 89 -11.856 -5.096 -4.527 1.00 73.03 N ATOM 1097 CA PHE A 89 -12.703 -4.002 -4.988 1.00 42.34 C ATOM 1098 C PHE A 89 -13.736 -3.630 -3.929 1.00 73.11 C ATOM 1099 O PHE A 89 -14.693 -2.906 -4.207 1.00 24.23 O ATOM 1100 CB PHE A 89 -13.407 -4.387 -6.291 1.00 21.41 C ATOM 1101 CG PHE A 89 -12.528 -5.144 -7.246 1.00 14.20 C ATOM 1102 CD1 PHE A 89 -11.428 -4.534 -7.827 1.00 73.12 C ATOM 1103 CD2 PHE A 89 -12.803 -6.464 -7.563 1.00 31.40 C ATOM 1104 CE1 PHE A 89 -10.618 -5.227 -8.706 1.00 64.32 C ATOM 1105 CE2 PHE A 89 -11.996 -7.163 -8.441 1.00 2.31 C ATOM 1106 CZ PHE A 89 -10.902 -6.543 -9.014 1.00 75.12 C ATOM 0 H PHE A 89 -10.896 -4.826 -4.315 1.00 73.03 H new ATOM 0 HA PHE A 89 -12.067 -3.136 -5.170 1.00 42.34 H new ATOM 0 HB2 PHE A 89 -14.282 -4.993 -6.057 1.00 21.41 H new ATOM 0 HB3 PHE A 89 -13.768 -3.483 -6.781 1.00 21.41 H new ATOM 0 HD1 PHE A 89 -11.201 -3.505 -7.590 1.00 73.12 H new ATOM 0 HD2 PHE A 89 -13.658 -6.953 -7.119 1.00 31.40 H new ATOM 0 HE1 PHE A 89 -9.763 -4.740 -9.152 1.00 64.32 H new ATOM 0 HE2 PHE A 89 -12.220 -8.192 -8.679 1.00 2.31 H new ATOM 0 HZ PHE A 89 -10.270 -7.086 -9.701 1.00 75.12 H new ATOM 1116 N ARG A 90 -13.537 -4.132 -2.715 1.00 4.54 N ATOM 1117 CA ARG A 90 -14.451 -3.854 -1.614 1.00 34.32 C ATOM 1118 C ARG A 90 -13.686 -3.648 -0.310 1.00 32.53 C ATOM 1119 O ARG A 90 -14.284 -3.452 0.749 1.00 64.14 O ATOM 1120 CB ARG A 90 -15.453 -4.999 -1.454 1.00 72.54 C ATOM 1121 CG ARG A 90 -14.875 -6.222 -0.761 1.00 32.14 C ATOM 1122 CD ARG A 90 -15.335 -6.311 0.686 1.00 3.23 C ATOM 1123 NE ARG A 90 -16.073 -7.543 0.952 1.00 41.43 N ATOM 1124 CZ ARG A 90 -15.495 -8.730 1.094 1.00 45.12 C ATOM 1125 NH1 ARG A 90 -14.177 -8.845 0.997 1.00 32.20 N ATOM 1126 NH2 ARG A 90 -16.234 -9.805 1.334 1.00 72.11 N ATOM 0 H ARG A 90 -12.751 -4.733 -2.469 1.00 4.54 H new ATOM 0 HA ARG A 90 -14.991 -2.936 -1.847 1.00 34.32 H new ATOM 0 HB2 ARG A 90 -16.312 -4.642 -0.886 1.00 72.54 H new ATOM 0 HB3 ARG A 90 -15.820 -5.289 -2.438 1.00 72.54 H new ATOM 0 HG2 ARG A 90 -15.178 -7.122 -1.296 1.00 32.14 H new ATOM 0 HG3 ARG A 90 -13.786 -6.181 -0.796 1.00 32.14 H new ATOM 0 HD2 ARG A 90 -14.469 -6.258 1.345 1.00 3.23 H new ATOM 0 HD3 ARG A 90 -15.966 -5.453 0.919 1.00 3.23 H new ATOM 0 HE ARG A 90 -17.088 -7.489 1.033 1.00 41.43 H new ATOM 0 HH11 ARG A 90 -13.605 -8.021 0.813 1.00 32.20 H new ATOM 0 HH12 ARG A 90 -13.735 -9.758 1.106 1.00 32.20 H new ATOM 0 HH21 ARG A 90 -17.248 -9.721 1.410 1.00 72.11 H new ATOM 0 HH22 ARG A 90 -15.789 -10.716 1.443 1.00 72.11 H new ATOM 1140 N VAL A 91 -12.360 -3.695 -0.394 1.00 34.42 N ATOM 1141 CA VAL A 91 -11.513 -3.514 0.779 1.00 51.43 C ATOM 1142 C VAL A 91 -10.601 -2.303 0.615 1.00 24.41 C ATOM 1143 O VAL A 91 -9.428 -2.439 0.263 1.00 21.13 O ATOM 1144 CB VAL A 91 -10.650 -4.761 1.046 1.00 31.04 C ATOM 1145 CG1 VAL A 91 -9.765 -4.547 2.265 1.00 52.21 C ATOM 1146 CG2 VAL A 91 -11.530 -5.989 1.226 1.00 52.24 C ATOM 0 H VAL A 91 -11.849 -3.857 -1.262 1.00 34.42 H new ATOM 0 HA VAL A 91 -12.177 -3.353 1.628 1.00 51.43 H new ATOM 0 HB VAL A 91 -10.005 -4.927 0.183 1.00 31.04 H new ATOM 0 HG11 VAL A 91 -9.162 -5.439 2.438 1.00 52.21 H new ATOM 0 HG12 VAL A 91 -9.109 -3.694 2.093 1.00 52.21 H new ATOM 0 HG13 VAL A 91 -10.389 -4.355 3.138 1.00 52.21 H new ATOM 0 HG21 VAL A 91 -10.904 -6.861 1.414 1.00 52.24 H new ATOM 0 HG22 VAL A 91 -12.201 -5.835 2.071 1.00 52.24 H new ATOM 0 HG23 VAL A 91 -12.117 -6.152 0.322 1.00 52.24 H new ATOM 1156 N LEU A 92 -11.145 -1.120 0.873 1.00 54.42 N ATOM 1157 CA LEU A 92 -10.380 0.117 0.755 1.00 73.11 C ATOM 1158 C LEU A 92 -10.649 1.039 1.940 1.00 22.42 C ATOM 1159 O LEU A 92 -10.252 2.204 1.935 1.00 22.05 O ATOM 1160 CB LEU A 92 -10.728 0.833 -0.551 1.00 74.45 C ATOM 1161 CG LEU A 92 -11.302 -0.044 -1.665 1.00 61.41 C ATOM 1162 CD1 LEU A 92 -12.817 0.080 -1.716 1.00 22.24 C ATOM 1163 CD2 LEU A 92 -10.689 0.329 -3.007 1.00 53.00 C ATOM 0 H LEU A 92 -12.113 -0.990 1.166 1.00 54.42 H new ATOM 0 HA LEU A 92 -9.321 -0.140 0.751 1.00 73.11 H new ATOM 0 HB2 LEU A 92 -11.447 1.621 -0.329 1.00 74.45 H new ATOM 0 HB3 LEU A 92 -9.828 1.320 -0.926 1.00 74.45 H new ATOM 0 HG LEU A 92 -11.050 -1.082 -1.449 1.00 61.41 H new ATOM 0 HD11 LEU A 92 -13.207 -0.551 -2.515 1.00 22.24 H new ATOM 0 HD12 LEU A 92 -13.240 -0.238 -0.763 1.00 22.24 H new ATOM 0 HD13 LEU A 92 -13.091 1.118 -1.907 1.00 22.24 H new ATOM 0 HD21 LEU A 92 -11.109 -0.305 -3.788 1.00 53.00 H new ATOM 0 HD22 LEU A 92 -10.909 1.373 -3.230 1.00 53.00 H new ATOM 0 HD23 LEU A 92 -9.609 0.187 -2.966 1.00 53.00 H new ATOM 1175 N ASP A 93 -11.323 0.508 2.954 1.00 1.15 N ATOM 1176 CA ASP A 93 -11.642 1.282 4.149 1.00 64.03 C ATOM 1177 C ASP A 93 -10.574 1.090 5.221 1.00 10.34 C ATOM 1178 O ASP A 93 -9.730 0.199 5.121 1.00 43.40 O ATOM 1179 CB ASP A 93 -13.011 0.875 4.696 1.00 43.03 C ATOM 1180 CG ASP A 93 -13.627 1.949 5.570 1.00 32.14 C ATOM 1181 OD1 ASP A 93 -13.233 3.126 5.432 1.00 23.03 O ATOM 1182 OD2 ASP A 93 -14.505 1.613 6.392 1.00 21.43 O ATOM 0 H ASP A 93 -11.659 -0.455 2.973 1.00 1.15 H new ATOM 0 HA ASP A 93 -11.669 2.336 3.873 1.00 64.03 H new ATOM 0 HB2 ASP A 93 -13.682 0.658 3.864 1.00 43.03 H new ATOM 0 HB3 ASP A 93 -12.910 -0.045 5.272 1.00 43.03 H new ATOM 1187 N THR A 94 -10.616 1.933 6.249 1.00 53.33 N ATOM 1188 CA THR A 94 -9.652 1.859 7.339 1.00 61.52 C ATOM 1189 C THR A 94 -10.301 1.326 8.611 1.00 2.23 C ATOM 1190 O THR A 94 -11.525 1.248 8.708 1.00 0.43 O ATOM 1191 CB THR A 94 -9.028 3.236 7.632 1.00 64.20 C ATOM 1192 OG1 THR A 94 -8.074 3.125 8.694 1.00 4.21 O ATOM 1193 CG2 THR A 94 -10.100 4.247 8.010 1.00 62.32 C ATOM 0 H THR A 94 -11.308 2.675 6.349 1.00 53.33 H new ATOM 0 HA THR A 94 -8.867 1.174 7.020 1.00 61.52 H new ATOM 0 HB THR A 94 -8.527 3.583 6.728 1.00 64.20 H new ATOM 0 HG1 THR A 94 -7.473 3.899 8.676 1.00 4.21 H new ATOM 0 HG21 THR A 94 -9.635 5.212 8.212 1.00 62.32 H new ATOM 0 HG22 THR A 94 -10.808 4.351 7.188 1.00 62.32 H new ATOM 0 HG23 THR A 94 -10.626 3.904 8.901 1.00 62.32 H new ATOM 1201 N GLU A 95 -9.472 0.962 9.585 1.00 72.31 N ATOM 1202 CA GLU A 95 -9.967 0.436 10.852 1.00 54.42 C ATOM 1203 C GLU A 95 -9.086 0.891 12.011 1.00 5.22 C ATOM 1204 O GLU A 95 -7.889 0.608 12.062 1.00 24.43 O ATOM 1205 CB GLU A 95 -10.024 -1.092 10.809 1.00 64.14 C ATOM 1206 CG GLU A 95 -11.247 -1.676 11.495 1.00 52.21 C ATOM 1207 CD GLU A 95 -11.611 -3.050 10.968 1.00 32.43 C ATOM 1208 OE1 GLU A 95 -12.018 -3.146 9.791 1.00 5.42 O ATOM 1209 OE2 GLU A 95 -11.490 -4.030 11.733 1.00 73.33 O ATOM 0 H GLU A 95 -8.456 1.022 9.521 1.00 72.31 H new ATOM 0 HA GLU A 95 -10.973 0.825 11.009 1.00 54.42 H new ATOM 0 HB2 GLU A 95 -10.011 -1.418 9.769 1.00 64.14 H new ATOM 0 HB3 GLU A 95 -9.127 -1.494 11.280 1.00 64.14 H new ATOM 0 HG2 GLU A 95 -11.062 -1.740 12.567 1.00 52.21 H new ATOM 0 HG3 GLU A 95 -12.093 -1.002 11.357 1.00 52.21 H new ATOM 1216 N PRO A 96 -9.690 1.615 12.965 1.00 20.12 N ATOM 1217 CA PRO A 96 -8.979 2.125 14.142 1.00 73.24 C ATOM 1218 C PRO A 96 -8.577 1.012 15.103 1.00 31.04 C ATOM 1219 O PRO A 96 -9.429 0.300 15.635 1.00 2.41 O ATOM 1220 CB PRO A 96 -10.002 3.055 14.798 1.00 12.32 C ATOM 1221 CG PRO A 96 -11.326 2.536 14.354 1.00 12.32 C ATOM 1222 CD PRO A 96 -11.114 1.991 12.969 1.00 22.42 C ATOM 0 HA PRO A 96 -8.045 2.618 13.873 1.00 73.24 H new ATOM 0 HB2 PRO A 96 -9.914 3.037 15.884 1.00 12.32 H new ATOM 0 HB3 PRO A 96 -9.856 4.088 14.484 1.00 12.32 H new ATOM 0 HG2 PRO A 96 -11.687 1.759 15.028 1.00 12.32 H new ATOM 0 HG3 PRO A 96 -12.075 3.328 14.351 1.00 12.32 H new ATOM 0 HD2 PRO A 96 -11.757 1.133 12.772 1.00 22.42 H new ATOM 0 HD3 PRO A 96 -11.335 2.737 12.205 1.00 22.42 H new ATOM 1230 N ALA A 97 -7.274 0.868 15.323 1.00 73.24 N ATOM 1231 CA ALA A 97 -6.760 -0.157 16.222 1.00 21.05 C ATOM 1232 C ALA A 97 -6.051 0.469 17.419 1.00 35.32 C ATOM 1233 O ALA A 97 -5.695 1.647 17.395 1.00 21.22 O ATOM 1234 CB ALA A 97 -5.817 -1.089 15.477 1.00 63.34 C ATOM 0 H ALA A 97 -6.555 1.449 14.891 1.00 73.24 H new ATOM 0 HA ALA A 97 -7.605 -0.736 16.594 1.00 21.05 H new ATOM 0 HB1 ALA A 97 -5.441 -1.849 16.161 1.00 63.34 H new ATOM 0 HB2 ALA A 97 -6.352 -1.570 14.659 1.00 63.34 H new ATOM 0 HB3 ALA A 97 -4.981 -0.516 15.076 1.00 63.34 H new ATOM 1240 N ASP A 98 -5.851 -0.327 18.464 1.00 14.53 N ATOM 1241 CA ASP A 98 -5.185 0.150 19.671 1.00 60.41 C ATOM 1242 C ASP A 98 -3.999 -0.743 20.025 1.00 15.31 C ATOM 1243 O ASP A 98 -3.209 -1.115 19.159 1.00 72.21 O ATOM 1244 CB ASP A 98 -6.171 0.196 20.839 1.00 10.31 C ATOM 1245 CG ASP A 98 -7.501 0.812 20.450 1.00 21.41 C ATOM 1246 OD1 ASP A 98 -7.505 1.973 19.992 1.00 53.11 O ATOM 1247 OD2 ASP A 98 -8.537 0.132 20.605 1.00 74.04 O ATOM 0 H ASP A 98 -6.140 -1.304 18.500 1.00 14.53 H new ATOM 0 HA ASP A 98 -4.815 1.157 19.479 1.00 60.41 H new ATOM 0 HB2 ASP A 98 -6.337 -0.815 21.211 1.00 10.31 H new ATOM 0 HB3 ASP A 98 -5.734 0.769 21.657 1.00 10.31 H new ATOM 1252 N GLY A 99 -3.882 -1.081 21.306 1.00 64.35 N ATOM 1253 CA GLY A 99 -2.789 -1.926 21.752 1.00 73.11 C ATOM 1254 C GLY A 99 -3.222 -3.360 21.983 1.00 74.22 C ATOM 1255 O GLY A 99 -2.387 -4.257 22.096 1.00 31.50 O ATOM 0 H GLY A 99 -4.524 -0.785 22.042 1.00 64.35 H new ATOM 0 HA2 GLY A 99 -1.992 -1.906 21.009 1.00 73.11 H new ATOM 0 HA3 GLY A 99 -2.375 -1.522 22.675 1.00 73.11 H new ATOM 1259 N ASP A 100 -4.531 -3.577 22.055 1.00 51.14 N ATOM 1260 CA ASP A 100 -5.074 -4.912 22.275 1.00 70.45 C ATOM 1261 C ASP A 100 -5.353 -5.611 20.947 1.00 5.03 C ATOM 1262 O ASP A 100 -4.963 -6.760 20.745 1.00 32.45 O ATOM 1263 CB ASP A 100 -6.357 -4.834 23.103 1.00 32.42 C ATOM 1264 CG ASP A 100 -7.148 -6.128 23.070 1.00 45.33 C ATOM 1265 OD1 ASP A 100 -6.529 -7.204 23.204 1.00 31.01 O ATOM 1266 OD2 ASP A 100 -8.384 -6.064 22.908 1.00 14.41 O ATOM 0 H ASP A 100 -5.236 -2.845 21.964 1.00 51.14 H new ATOM 0 HA ASP A 100 -4.332 -5.493 22.823 1.00 70.45 H new ATOM 0 HB2 ASP A 100 -6.105 -4.592 24.136 1.00 32.42 H new ATOM 0 HB3 ASP A 100 -6.979 -4.022 22.728 1.00 32.42 H new ATOM 1271 N GLY A 101 -6.031 -4.908 20.045 1.00 64.11 N ATOM 1272 CA GLY A 101 -6.351 -5.477 18.749 1.00 21.41 C ATOM 1273 C GLY A 101 -7.789 -5.950 18.663 1.00 43.23 C ATOM 1274 O GLY A 101 -8.119 -6.809 17.847 1.00 71.31 O ATOM 0 H GLY A 101 -6.364 -3.955 20.189 1.00 64.11 H new ATOM 0 HA2 GLY A 101 -6.170 -4.732 17.974 1.00 21.41 H new ATOM 0 HA3 GLY A 101 -5.683 -6.315 18.549 1.00 21.41 H new ATOM 1278 N GLY A 102 -8.647 -5.387 19.508 1.00 22.44 N ATOM 1279 CA GLY A 102 -10.047 -5.770 19.509 1.00 24.30 C ATOM 1280 C GLY A 102 -10.752 -5.386 20.794 1.00 14.32 C ATOM 1281 O GLY A 102 -11.926 -5.704 20.985 1.00 60.21 O ATOM 0 H GLY A 102 -8.398 -4.673 20.192 1.00 22.44 H new ATOM 0 HA2 GLY A 102 -10.551 -5.296 18.666 1.00 24.30 H new ATOM 0 HA3 GLY A 102 -10.126 -6.847 19.363 1.00 24.30 H new TER 1285 GLY A 102