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 Single : A 12 TYR OH : rot -95:sc= -0.78 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -60:sc= 0.201 USER MOD Single : A 19 ASN : amide:sc= -0.135 K(o=-0.13,f=-1.4!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.905 K(o=-0.9,f=-2.1) USER MOD Single : A 26 MET CE :methyl -136:sc= -0.755 (180deg=-2.71!) USER MOD Single : A 35 THR OG1 : rot 121:sc= -2.28 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0401 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0499 USER MOD Single : A 69 TYR OH : rot -73:sc= 0.515! USER MOD Single : A 74 THR OG1 : rot -39:sc= -7.83! USER MOD Single : A 79 THR OG1 : rot -13:sc= -0.264 USER MOD Single : A 84 HIS : no HE2:sc= -1.9! C(o=-1.9!,f=-4.9!) USER MOD Single : A 94 THR OG1 : rot -140:sc= -1.29 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 1.415 -0.950 -0.316 1.00 30.33 N ATOM 2 CA ASP A 11 2.308 -1.089 -1.460 1.00 25.32 C ATOM 3 C ASP A 11 2.078 -2.419 -2.171 1.00 22.23 C ATOM 4 O ASP A 11 2.262 -2.526 -3.383 1.00 72.35 O ATOM 5 CB ASP A 11 3.767 -0.983 -1.011 1.00 52.51 C ATOM 6 CG ASP A 11 4.367 0.376 -1.313 1.00 4.41 C ATOM 7 OD1 ASP A 11 4.880 0.562 -2.436 1.00 60.32 O ATOM 8 OD2 ASP A 11 4.326 1.254 -0.425 1.00 55.34 O ATOM 0 HA ASP A 11 2.091 -0.281 -2.159 1.00 25.32 H new ATOM 0 HB2 ASP A 11 3.830 -1.175 0.060 1.00 52.51 H new ATOM 0 HB3 ASP A 11 4.354 -1.755 -1.508 1.00 52.51 H new ATOM 13 N TYR A 12 1.676 -3.430 -1.408 1.00 43.22 N ATOM 14 CA TYR A 12 1.424 -4.754 -1.964 1.00 44.14 C ATOM 15 C TYR A 12 0.211 -4.735 -2.889 1.00 10.50 C ATOM 16 O TYR A 12 0.292 -5.145 -4.047 1.00 21.02 O ATOM 17 CB TYR A 12 1.207 -5.769 -0.841 1.00 64.10 C ATOM 18 CG TYR A 12 2.408 -5.938 0.063 1.00 54.30 C ATOM 19 CD1 TYR A 12 3.588 -6.496 -0.413 1.00 75.04 C ATOM 20 CD2 TYR A 12 2.362 -5.540 1.393 1.00 13.23 C ATOM 21 CE1 TYR A 12 4.687 -6.653 0.409 1.00 55.31 C ATOM 22 CE2 TYR A 12 3.456 -5.691 2.222 1.00 22.24 C ATOM 23 CZ TYR A 12 4.616 -6.248 1.726 1.00 61.43 C ATOM 24 OH TYR A 12 5.708 -6.402 2.549 1.00 61.32 O ATOM 0 H TYR A 12 1.518 -3.358 -0.403 1.00 43.22 H new ATOM 0 HA TYR A 12 2.297 -5.048 -2.546 1.00 44.14 H new ATOM 0 HB2 TYR A 12 0.352 -5.457 -0.241 1.00 64.10 H new ATOM 0 HB3 TYR A 12 0.954 -6.734 -1.279 1.00 64.10 H new ATOM 0 HD1 TYR A 12 3.647 -6.813 -1.444 1.00 75.04 H new ATOM 0 HD2 TYR A 12 1.455 -5.105 1.786 1.00 13.23 H new ATOM 0 HE1 TYR A 12 5.596 -7.090 0.023 1.00 55.31 H new ATOM 0 HE2 TYR A 12 3.403 -5.375 3.253 1.00 22.24 H new ATOM 0 HH TYR A 12 5.626 -7.242 3.047 1.00 61.32 H new ATOM 34 N ASP A 13 -0.913 -4.254 -2.369 1.00 30.11 N ATOM 35 CA ASP A 13 -2.144 -4.179 -3.147 1.00 13.43 C ATOM 36 C ASP A 13 -1.987 -3.217 -4.321 1.00 33.42 C ATOM 37 O ASP A 13 -0.877 -2.982 -4.798 1.00 40.42 O ATOM 38 CB ASP A 13 -3.307 -3.733 -2.259 1.00 32.13 C ATOM 39 CG ASP A 13 -4.631 -4.330 -2.695 1.00 25.51 C ATOM 40 OD1 ASP A 13 -4.616 -5.258 -3.531 1.00 53.14 O ATOM 41 OD2 ASP A 13 -5.680 -3.871 -2.199 1.00 74.20 O ATOM 0 H ASP A 13 -0.997 -3.910 -1.412 1.00 30.11 H new ATOM 0 HA ASP A 13 -2.357 -5.173 -3.540 1.00 13.43 H new ATOM 0 HB2 ASP A 13 -3.104 -4.021 -1.228 1.00 32.13 H new ATOM 0 HB3 ASP A 13 -3.378 -2.646 -2.278 1.00 32.13 H new ATOM 46 N ILE A 14 -3.105 -2.667 -4.782 1.00 13.35 N ATOM 47 CA ILE A 14 -3.091 -1.732 -5.899 1.00 53.54 C ATOM 48 C ILE A 14 -2.983 -0.291 -5.410 1.00 60.30 C ATOM 49 O ILE A 14 -3.798 0.185 -4.620 1.00 20.14 O ATOM 50 CB ILE A 14 -4.355 -1.873 -6.768 1.00 33.12 C ATOM 51 CG1 ILE A 14 -4.459 -3.293 -7.329 1.00 3.21 C ATOM 52 CG2 ILE A 14 -4.340 -0.852 -7.895 1.00 54.23 C ATOM 53 CD1 ILE A 14 -3.368 -3.632 -8.320 1.00 44.43 C ATOM 0 H ILE A 14 -4.032 -2.853 -4.399 1.00 13.35 H new ATOM 0 HA ILE A 14 -2.216 -1.975 -6.502 1.00 53.54 H new ATOM 0 HB ILE A 14 -5.229 -1.684 -6.145 1.00 33.12 H new ATOM 0 HG12 ILE A 14 -4.423 -4.004 -6.504 1.00 3.21 H new ATOM 0 HG13 ILE A 14 -5.428 -3.414 -7.813 1.00 3.21 H new ATOM 0 HG21 ILE A 14 -5.240 -0.965 -8.500 1.00 54.23 H new ATOM 0 HG22 ILE A 14 -4.309 0.153 -7.475 1.00 54.23 H new ATOM 0 HG23 ILE A 14 -3.461 -1.012 -8.519 1.00 54.23 H new ATOM 0 HD11 ILE A 14 -3.504 -4.653 -8.676 1.00 44.43 H new ATOM 0 HD12 ILE A 14 -3.416 -2.944 -9.164 1.00 44.43 H new ATOM 0 HD13 ILE A 14 -2.396 -3.544 -7.835 1.00 44.43 H new ATOM 65 N PRO A 15 -1.954 0.421 -5.891 1.00 44.32 N ATOM 66 CA PRO A 15 -1.715 1.819 -5.518 1.00 72.23 C ATOM 67 C PRO A 15 -2.765 2.761 -6.098 1.00 32.52 C ATOM 68 O PRO A 15 -2.616 3.982 -6.046 1.00 64.13 O ATOM 69 CB PRO A 15 -0.339 2.117 -6.120 1.00 35.32 C ATOM 70 CG PRO A 15 -0.207 1.161 -7.255 1.00 30.45 C ATOM 71 CD PRO A 15 -0.943 -0.082 -6.837 1.00 33.31 C ATOM 0 HA PRO A 15 -1.765 1.967 -4.439 1.00 72.23 H new ATOM 0 HB2 PRO A 15 -0.272 3.150 -6.462 1.00 35.32 H new ATOM 0 HB3 PRO A 15 0.454 1.972 -5.386 1.00 35.32 H new ATOM 0 HG2 PRO A 15 -0.632 1.578 -8.168 1.00 30.45 H new ATOM 0 HG3 PRO A 15 0.841 0.943 -7.462 1.00 30.45 H new ATOM 0 HD2 PRO A 15 -1.404 -0.582 -7.689 1.00 33.31 H new ATOM 0 HD3 PRO A 15 -0.276 -0.804 -6.366 1.00 33.31 H new ATOM 79 N THR A 16 -3.829 2.186 -6.650 1.00 34.44 N ATOM 80 CA THR A 16 -4.904 2.974 -7.239 1.00 71.44 C ATOM 81 C THR A 16 -6.250 2.623 -6.615 1.00 3.15 C ATOM 82 O THR A 16 -7.252 2.473 -7.315 1.00 25.02 O ATOM 83 CB THR A 16 -4.987 2.759 -8.763 1.00 0.54 C ATOM 84 OG1 THR A 16 -3.723 2.311 -9.264 1.00 2.03 O ATOM 85 CG2 THR A 16 -5.391 4.045 -9.469 1.00 0.04 C ATOM 0 H THR A 16 -3.969 1.177 -6.701 1.00 34.44 H new ATOM 0 HA THR A 16 -4.675 4.021 -7.038 1.00 71.44 H new ATOM 0 HB THR A 16 -5.745 2.001 -8.960 1.00 0.54 H new ATOM 0 HG1 THR A 16 -3.785 2.175 -10.233 1.00 2.03 H new ATOM 0 HG21 THR A 16 -5.443 3.869 -10.543 1.00 0.04 H new ATOM 0 HG22 THR A 16 -6.367 4.368 -9.106 1.00 0.04 H new ATOM 0 HG23 THR A 16 -4.653 4.820 -9.264 1.00 0.04 H new ATOM 93 N THR A 17 -6.267 2.494 -5.291 1.00 40.24 N ATOM 94 CA THR A 17 -7.490 2.161 -4.572 1.00 22.11 C ATOM 95 C THR A 17 -8.151 3.411 -4.002 1.00 62.15 C ATOM 96 O THR A 17 -7.846 4.528 -4.417 1.00 42.53 O ATOM 97 CB THR A 17 -7.214 1.171 -3.424 1.00 12.50 C ATOM 98 OG1 THR A 17 -5.819 0.854 -3.375 1.00 4.30 O ATOM 99 CG2 THR A 17 -8.023 -0.104 -3.603 1.00 73.20 C ATOM 0 H THR A 17 -5.447 2.615 -4.696 1.00 40.24 H new ATOM 0 HA THR A 17 -8.163 1.694 -5.291 1.00 22.11 H new ATOM 0 HB THR A 17 -7.512 1.643 -2.488 1.00 12.50 H new ATOM 0 HG1 THR A 17 -5.548 0.439 -4.220 1.00 4.30 H new ATOM 0 HG21 THR A 17 -7.812 -0.788 -2.781 1.00 73.20 H new ATOM 0 HG22 THR A 17 -9.086 0.137 -3.610 1.00 73.20 H new ATOM 0 HG23 THR A 17 -7.752 -0.577 -4.547 1.00 73.20 H new ATOM 107 N GLU A 18 -9.057 3.214 -3.050 1.00 4.04 N ATOM 108 CA GLU A 18 -9.760 4.327 -2.424 1.00 14.31 C ATOM 109 C GLU A 18 -8.781 5.267 -1.726 1.00 71.13 C ATOM 110 O GLU A 18 -8.112 6.073 -2.371 1.00 14.40 O ATOM 111 CB GLU A 18 -10.790 3.808 -1.418 1.00 52.13 C ATOM 112 CG GLU A 18 -12.062 3.284 -2.065 1.00 3.43 C ATOM 113 CD GLU A 18 -13.302 3.595 -1.249 1.00 25.34 C ATOM 114 OE1 GLU A 18 -13.155 3.961 -0.064 1.00 23.45 O ATOM 115 OE2 GLU A 18 -14.418 3.472 -1.794 1.00 61.42 O ATOM 0 H GLU A 18 -9.321 2.295 -2.696 1.00 4.04 H new ATOM 0 HA GLU A 18 -10.275 4.883 -3.207 1.00 14.31 H new ATOM 0 HB2 GLU A 18 -10.338 3.012 -0.826 1.00 52.13 H new ATOM 0 HB3 GLU A 18 -11.048 4.611 -0.727 1.00 52.13 H new ATOM 0 HG2 GLU A 18 -12.166 3.720 -3.058 1.00 3.43 H new ATOM 0 HG3 GLU A 18 -11.980 2.205 -2.198 1.00 3.43 H new ATOM 122 N ASN A 19 -8.703 5.156 -0.404 1.00 75.11 N ATOM 123 CA ASN A 19 -7.807 5.996 0.382 1.00 33.22 C ATOM 124 C ASN A 19 -6.498 5.269 0.676 1.00 54.03 C ATOM 125 O ASN A 19 -5.661 5.757 1.436 1.00 12.21 O ATOM 126 CB ASN A 19 -8.480 6.408 1.693 1.00 21.12 C ATOM 127 CG ASN A 19 -8.905 7.864 1.692 1.00 32.52 C ATOM 128 OD1 ASN A 19 -9.063 8.475 0.635 1.00 30.14 O ATOM 129 ND2 ASN A 19 -9.093 8.426 2.881 1.00 64.34 N ATOM 0 H ASN A 19 -9.249 4.493 0.145 1.00 75.11 H new ATOM 0 HA ASN A 19 -7.583 6.890 -0.200 1.00 33.22 H new ATOM 0 HB2 ASN A 19 -9.353 5.778 1.864 1.00 21.12 H new ATOM 0 HB3 ASN A 19 -7.793 6.233 2.521 1.00 21.12 H new ATOM 0 HD21 ASN A 19 -9.380 9.403 2.944 1.00 64.34 H new ATOM 0 HD22 ASN A 19 -8.950 7.881 3.731 1.00 64.34 H new ATOM 136 N LEU A 20 -6.328 4.100 0.068 1.00 40.33 N ATOM 137 CA LEU A 20 -5.120 3.305 0.263 1.00 54.34 C ATOM 138 C LEU A 20 -3.902 4.013 -0.323 1.00 75.50 C ATOM 139 O LEU A 20 -2.762 3.675 -0.003 1.00 14.01 O ATOM 140 CB LEU A 20 -5.283 1.928 -0.382 1.00 74.31 C ATOM 141 CG LEU A 20 -6.200 0.948 0.351 1.00 22.43 C ATOM 142 CD1 LEU A 20 -7.241 1.699 1.167 1.00 62.51 C ATOM 143 CD2 LEU A 20 -6.872 0.005 -0.636 1.00 62.13 C ATOM 0 H LEU A 20 -7.011 3.682 -0.564 1.00 40.33 H new ATOM 0 HA LEU A 20 -4.965 3.181 1.335 1.00 54.34 H new ATOM 0 HB2 LEU A 20 -5.666 2.066 -1.393 1.00 74.31 H new ATOM 0 HB3 LEU A 20 -4.297 1.473 -0.474 1.00 74.31 H new ATOM 0 HG LEU A 20 -5.592 0.354 1.034 1.00 22.43 H new ATOM 0 HD11 LEU A 20 -7.884 0.985 1.681 1.00 62.51 H new ATOM 0 HD12 LEU A 20 -6.741 2.331 1.901 1.00 62.51 H new ATOM 0 HD13 LEU A 20 -7.844 2.319 0.504 1.00 62.51 H new ATOM 0 HD21 LEU A 20 -7.521 -0.685 -0.096 1.00 62.13 H new ATOM 0 HD22 LEU A 20 -7.466 0.583 -1.344 1.00 62.13 H new ATOM 0 HD23 LEU A 20 -6.111 -0.559 -1.176 1.00 62.13 H new ATOM 155 N TYR A 21 -4.152 4.996 -1.180 1.00 64.14 N ATOM 156 CA TYR A 21 -3.075 5.751 -1.811 1.00 54.10 C ATOM 157 C TYR A 21 -2.768 7.021 -1.024 1.00 44.41 C ATOM 158 O TYR A 21 -1.932 7.830 -1.430 1.00 15.02 O ATOM 159 CB TYR A 21 -3.450 6.108 -3.251 1.00 21.34 C ATOM 160 CG TYR A 21 -4.375 7.299 -3.358 1.00 60.22 C ATOM 161 CD1 TYR A 21 -3.874 8.595 -3.358 1.00 64.32 C ATOM 162 CD2 TYR A 21 -5.750 7.129 -3.459 1.00 32.30 C ATOM 163 CE1 TYR A 21 -4.715 9.686 -3.456 1.00 1.23 C ATOM 164 CE2 TYR A 21 -6.599 8.214 -3.558 1.00 42.13 C ATOM 165 CZ TYR A 21 -6.077 9.491 -3.556 1.00 64.30 C ATOM 166 OH TYR A 21 -6.919 10.575 -3.653 1.00 62.44 O ATOM 0 H TYR A 21 -5.090 5.289 -1.454 1.00 64.14 H new ATOM 0 HA TYR A 21 -2.183 5.125 -1.820 1.00 54.10 H new ATOM 0 HB2 TYR A 21 -2.540 6.314 -3.814 1.00 21.34 H new ATOM 0 HB3 TYR A 21 -3.926 5.246 -3.718 1.00 21.34 H new ATOM 0 HD1 TYR A 21 -2.808 8.752 -3.280 1.00 64.32 H new ATOM 0 HD2 TYR A 21 -6.162 6.131 -3.460 1.00 32.30 H new ATOM 0 HE1 TYR A 21 -4.309 10.687 -3.454 1.00 1.23 H new ATOM 0 HE2 TYR A 21 -7.666 8.063 -3.637 1.00 42.13 H new ATOM 0 HH TYR A 21 -7.846 10.264 -3.717 1.00 62.44 H new ATOM 176 N PHE A 22 -3.448 7.190 0.105 1.00 73.23 N ATOM 177 CA PHE A 22 -3.249 8.361 0.950 1.00 11.21 C ATOM 178 C PHE A 22 -2.286 8.051 2.092 1.00 64.52 C ATOM 179 O PHE A 22 -1.295 8.753 2.289 1.00 65.11 O ATOM 180 CB PHE A 22 -4.587 8.843 1.514 1.00 74.00 C ATOM 181 CG PHE A 22 -4.478 9.444 2.886 1.00 33.43 C ATOM 182 CD1 PHE A 22 -3.582 10.470 3.139 1.00 75.14 C ATOM 183 CD2 PHE A 22 -5.271 8.981 3.924 1.00 14.32 C ATOM 184 CE1 PHE A 22 -3.480 11.025 4.400 1.00 2.12 C ATOM 185 CE2 PHE A 22 -5.173 9.533 5.188 1.00 74.13 C ATOM 186 CZ PHE A 22 -4.276 10.555 5.426 1.00 3.13 C ATOM 0 H PHE A 22 -4.142 6.530 0.456 1.00 73.23 H new ATOM 0 HA PHE A 22 -2.815 9.151 0.336 1.00 11.21 H new ATOM 0 HB2 PHE A 22 -5.013 9.582 0.835 1.00 74.00 H new ATOM 0 HB3 PHE A 22 -5.281 8.003 1.548 1.00 74.00 H new ATOM 0 HD1 PHE A 22 -2.956 10.840 2.341 1.00 75.14 H new ATOM 0 HD2 PHE A 22 -5.973 8.180 3.744 1.00 14.32 H new ATOM 0 HE1 PHE A 22 -2.779 11.826 4.583 1.00 2.12 H new ATOM 0 HE2 PHE A 22 -5.798 9.165 5.988 1.00 74.13 H new ATOM 0 HZ PHE A 22 -4.197 10.986 6.413 1.00 3.13 H new ATOM 196 N GLN A 23 -2.586 6.994 2.840 1.00 25.03 N ATOM 197 CA GLN A 23 -1.747 6.591 3.963 1.00 30.00 C ATOM 198 C GLN A 23 -0.368 6.153 3.482 1.00 24.44 C ATOM 199 O GLN A 23 0.638 6.387 4.152 1.00 75.01 O ATOM 200 CB GLN A 23 -2.413 5.456 4.743 1.00 71.03 C ATOM 201 CG GLN A 23 -3.773 5.826 5.313 1.00 62.30 C ATOM 202 CD GLN A 23 -3.726 6.099 6.803 1.00 20.44 C ATOM 203 OE1 GLN A 23 -3.927 5.197 7.618 1.00 41.21 O ATOM 204 NE2 GLN A 23 -3.460 7.347 7.169 1.00 45.12 N ATOM 0 H GLN A 23 -3.403 6.402 2.689 1.00 25.03 H new ATOM 0 HA GLN A 23 -1.626 7.452 4.621 1.00 30.00 H new ATOM 0 HB2 GLN A 23 -2.526 4.593 4.087 1.00 71.03 H new ATOM 0 HB3 GLN A 23 -1.757 5.153 5.559 1.00 71.03 H new ATOM 0 HG2 GLN A 23 -4.151 6.709 4.797 1.00 62.30 H new ATOM 0 HG3 GLN A 23 -4.477 5.017 5.118 1.00 62.30 H new ATOM 0 HE21 GLN A 23 -3.300 8.063 6.461 1.00 45.12 H new ATOM 0 HE22 GLN A 23 -3.416 7.590 8.159 1.00 45.12 H new ATOM 213 N GLY A 24 -0.328 5.514 2.317 1.00 64.21 N ATOM 214 CA GLY A 24 0.934 5.052 1.767 1.00 55.21 C ATOM 215 C GLY A 24 2.019 6.108 1.839 1.00 32.03 C ATOM 216 O GLY A 24 3.201 5.786 1.953 1.00 71.30 O ATOM 0 H GLY A 24 -1.146 5.308 1.744 1.00 64.21 H new ATOM 0 HA2 GLY A 24 1.259 4.164 2.309 1.00 55.21 H new ATOM 0 HA3 GLY A 24 0.788 4.756 0.728 1.00 55.21 H new ATOM 220 N ALA A 25 1.617 7.373 1.772 1.00 71.12 N ATOM 221 CA ALA A 25 2.564 8.479 1.831 1.00 51.52 C ATOM 222 C ALA A 25 3.393 8.425 3.109 1.00 20.14 C ATOM 223 O ALA A 25 4.622 8.376 3.062 1.00 73.23 O ATOM 224 CB ALA A 25 1.830 9.808 1.732 1.00 54.41 C ATOM 0 H ALA A 25 0.642 7.657 1.677 1.00 71.12 H new ATOM 0 HA ALA A 25 3.244 8.388 0.984 1.00 51.52 H new ATOM 0 HB1 ALA A 25 2.550 10.625 1.777 1.00 54.41 H new ATOM 0 HB2 ALA A 25 1.287 9.854 0.788 1.00 54.41 H new ATOM 0 HB3 ALA A 25 1.126 9.898 2.560 1.00 54.41 H new ATOM 230 N MET A 26 2.713 8.435 4.251 1.00 32.51 N ATOM 231 CA MET A 26 3.388 8.386 5.543 1.00 71.42 C ATOM 232 C MET A 26 4.053 7.030 5.758 1.00 74.52 C ATOM 233 O MET A 26 4.751 6.821 6.749 1.00 30.52 O ATOM 234 CB MET A 26 2.395 8.665 6.672 1.00 35.54 C ATOM 235 CG MET A 26 1.440 7.512 6.941 1.00 43.11 C ATOM 236 SD MET A 26 -0.288 8.025 6.929 1.00 74.52 S ATOM 237 CE MET A 26 -0.228 9.444 8.019 1.00 52.52 C ATOM 0 H MET A 26 1.695 8.477 4.308 1.00 32.51 H new ATOM 0 HA MET A 26 4.161 9.155 5.551 1.00 71.42 H new ATOM 0 HB2 MET A 26 2.948 8.888 7.584 1.00 35.54 H new ATOM 0 HB3 MET A 26 1.816 9.555 6.424 1.00 35.54 H new ATOM 0 HG2 MET A 26 1.590 6.738 6.189 1.00 43.11 H new ATOM 0 HG3 MET A 26 1.676 7.067 7.908 1.00 43.11 H new ATOM 0 HE1 MET A 26 -1.072 9.409 8.708 1.00 52.52 H new ATOM 0 HE2 MET A 26 0.703 9.429 8.585 1.00 52.52 H new ATOM 0 HE3 MET A 26 -0.279 10.359 7.429 1.00 52.52 H new ATOM 247 N ALA A 27 3.830 6.112 4.823 1.00 61.42 N ATOM 248 CA ALA A 27 4.409 4.777 4.910 1.00 60.32 C ATOM 249 C ALA A 27 5.435 4.550 3.804 1.00 12.15 C ATOM 250 O ALA A 27 5.518 3.462 3.234 1.00 12.03 O ATOM 251 CB ALA A 27 3.315 3.722 4.842 1.00 70.53 C ATOM 0 H ALA A 27 3.253 6.268 3.997 1.00 61.42 H new ATOM 0 HA ALA A 27 4.922 4.692 5.868 1.00 60.32 H new ATOM 0 HB1 ALA A 27 3.762 2.730 4.908 1.00 70.53 H new ATOM 0 HB2 ALA A 27 2.621 3.863 5.671 1.00 70.53 H new ATOM 0 HB3 ALA A 27 2.777 3.816 3.898 1.00 70.53 H new ATOM 257 N PHE A 28 6.214 5.584 3.506 1.00 41.22 N ATOM 258 CA PHE A 28 7.234 5.498 2.467 1.00 52.11 C ATOM 259 C PHE A 28 8.633 5.529 3.074 1.00 2.44 C ATOM 260 O PHE A 28 9.622 5.738 2.371 1.00 22.15 O ATOM 261 CB PHE A 28 7.073 6.646 1.469 1.00 42.45 C ATOM 262 CG PHE A 28 7.109 8.005 2.107 1.00 2.41 C ATOM 263 CD1 PHE A 28 7.539 8.159 3.415 1.00 10.43 C ATOM 264 CD2 PHE A 28 6.714 9.129 1.399 1.00 32.21 C ATOM 265 CE1 PHE A 28 7.572 9.409 4.005 1.00 23.34 C ATOM 266 CE2 PHE A 28 6.745 10.381 1.984 1.00 63.11 C ATOM 267 CZ PHE A 28 7.176 10.521 3.289 1.00 62.15 C ATOM 0 H PHE A 28 6.159 6.491 3.969 1.00 41.22 H new ATOM 0 HA PHE A 28 7.105 4.550 1.944 1.00 52.11 H new ATOM 0 HB2 PHE A 28 7.866 6.582 0.724 1.00 42.45 H new ATOM 0 HB3 PHE A 28 6.127 6.527 0.940 1.00 42.45 H new ATOM 0 HD1 PHE A 28 7.852 7.293 3.980 1.00 10.43 H new ATOM 0 HD2 PHE A 28 6.378 9.025 0.378 1.00 32.21 H new ATOM 0 HE1 PHE A 28 7.908 9.516 5.026 1.00 23.34 H new ATOM 0 HE2 PHE A 28 6.433 11.249 1.422 1.00 63.11 H new ATOM 0 HZ PHE A 28 7.203 11.498 3.748 1.00 62.15 H new ATOM 277 N ASP A 29 8.708 5.321 4.384 1.00 14.43 N ATOM 278 CA ASP A 29 9.985 5.325 5.088 1.00 40.13 C ATOM 279 C ASP A 29 10.025 4.228 6.147 1.00 64.34 C ATOM 280 O ASP A 29 10.631 3.177 5.943 1.00 24.41 O ATOM 281 CB ASP A 29 10.230 6.688 5.738 1.00 75.30 C ATOM 282 CG ASP A 29 11.135 7.573 4.904 1.00 20.14 C ATOM 283 OD1 ASP A 29 10.804 7.817 3.725 1.00 20.44 O ATOM 284 OD2 ASP A 29 12.175 8.021 5.431 1.00 43.23 O ATOM 0 H ASP A 29 7.899 5.147 4.980 1.00 14.43 H new ATOM 0 HA ASP A 29 10.773 5.132 4.360 1.00 40.13 H new ATOM 0 HB2 ASP A 29 9.275 7.191 5.891 1.00 75.30 H new ATOM 0 HB3 ASP A 29 10.675 6.543 6.722 1.00 75.30 H new ATOM 289 N GLY A 30 9.376 4.481 7.279 1.00 21.31 N ATOM 290 CA GLY A 30 9.351 3.506 8.354 1.00 64.43 C ATOM 291 C GLY A 30 8.354 2.392 8.103 1.00 23.21 C ATOM 292 O GLY A 30 8.095 1.573 8.984 1.00 14.45 O ATOM 0 H GLY A 30 8.867 5.344 7.471 1.00 21.31 H new ATOM 0 HA2 GLY A 30 10.346 3.078 8.476 1.00 64.43 H new ATOM 0 HA3 GLY A 30 9.103 4.007 9.290 1.00 64.43 H new ATOM 296 N GLU A 31 7.793 2.362 6.898 1.00 24.32 N ATOM 297 CA GLU A 31 6.817 1.341 6.536 1.00 21.22 C ATOM 298 C GLU A 31 7.455 -0.046 6.534 1.00 13.54 C ATOM 299 O GLU A 31 8.189 -0.402 5.613 1.00 42.53 O ATOM 300 CB GLU A 31 6.219 1.641 5.160 1.00 32.12 C ATOM 301 CG GLU A 31 5.638 0.419 4.470 1.00 73.45 C ATOM 302 CD GLU A 31 4.891 0.768 3.196 1.00 24.55 C ATOM 303 OE1 GLU A 31 3.715 1.174 3.290 1.00 13.54 O ATOM 304 OE2 GLU A 31 5.485 0.634 2.106 1.00 61.41 O ATOM 0 H GLU A 31 7.998 3.032 6.157 1.00 24.32 H new ATOM 0 HA GLU A 31 6.022 1.355 7.281 1.00 21.22 H new ATOM 0 HB2 GLU A 31 5.437 2.393 5.269 1.00 32.12 H new ATOM 0 HB3 GLU A 31 6.991 2.074 4.524 1.00 32.12 H new ATOM 0 HG2 GLU A 31 6.442 -0.278 4.236 1.00 73.45 H new ATOM 0 HG3 GLU A 31 4.962 -0.093 5.155 1.00 73.45 H new ATOM 311 N ASP A 32 7.169 -0.823 7.573 1.00 11.20 N ATOM 312 CA ASP A 32 7.713 -2.170 7.692 1.00 23.52 C ATOM 313 C ASP A 32 6.668 -3.214 7.312 1.00 70.42 C ATOM 314 O ASP A 32 5.586 -2.877 6.832 1.00 4.41 O ATOM 315 CB ASP A 32 8.206 -2.420 9.118 1.00 20.24 C ATOM 316 CG ASP A 32 9.697 -2.188 9.265 1.00 50.41 C ATOM 317 OD1 ASP A 32 10.092 -1.042 9.565 1.00 4.52 O ATOM 318 OD2 ASP A 32 10.468 -3.152 9.080 1.00 3.11 O ATOM 0 H ASP A 32 6.564 -0.543 8.345 1.00 11.20 H new ATOM 0 HA ASP A 32 8.554 -2.257 7.004 1.00 23.52 H new ATOM 0 HB2 ASP A 32 7.670 -1.765 9.805 1.00 20.24 H new ATOM 0 HB3 ASP A 32 7.971 -3.445 9.406 1.00 20.24 H new ATOM 323 N GLU A 33 7.000 -4.483 7.529 1.00 71.33 N ATOM 324 CA GLU A 33 6.090 -5.576 7.206 1.00 32.14 C ATOM 325 C GLU A 33 5.667 -6.323 8.469 1.00 43.55 C ATOM 326 O GLU A 33 6.504 -6.858 9.196 1.00 72.01 O ATOM 327 CB GLU A 33 6.750 -6.546 6.224 1.00 54.22 C ATOM 328 CG GLU A 33 7.460 -5.856 5.071 1.00 14.55 C ATOM 329 CD GLU A 33 8.053 -6.837 4.080 1.00 62.31 C ATOM 330 OE1 GLU A 33 7.676 -8.027 4.123 1.00 12.34 O ATOM 331 OE2 GLU A 33 8.895 -6.415 3.260 1.00 64.11 O ATOM 0 H GLU A 33 7.891 -4.779 7.927 1.00 71.33 H new ATOM 0 HA GLU A 33 5.201 -5.149 6.742 1.00 32.14 H new ATOM 0 HB2 GLU A 33 7.467 -7.164 6.764 1.00 54.22 H new ATOM 0 HB3 GLU A 33 5.990 -7.217 5.823 1.00 54.22 H new ATOM 0 HG2 GLU A 33 6.756 -5.204 4.554 1.00 14.55 H new ATOM 0 HG3 GLU A 33 8.253 -5.220 5.466 1.00 14.55 H new ATOM 338 N VAL A 34 4.363 -6.353 8.722 1.00 11.04 N ATOM 339 CA VAL A 34 3.828 -7.034 9.896 1.00 40.54 C ATOM 340 C VAL A 34 3.923 -8.548 9.744 1.00 43.52 C ATOM 341 O VAL A 34 4.039 -9.066 8.633 1.00 43.23 O ATOM 342 CB VAL A 34 2.359 -6.645 10.149 1.00 61.44 C ATOM 343 CG1 VAL A 34 1.847 -7.297 11.424 1.00 14.42 C ATOM 344 CG2 VAL A 34 2.212 -5.133 10.216 1.00 1.21 C ATOM 0 H VAL A 34 3.657 -5.914 8.131 1.00 11.04 H new ATOM 0 HA VAL A 34 4.431 -6.719 10.747 1.00 40.54 H new ATOM 0 HB VAL A 34 1.756 -7.008 9.317 1.00 61.44 H new ATOM 0 HG11 VAL A 34 0.808 -7.011 11.587 1.00 14.42 H new ATOM 0 HG12 VAL A 34 1.915 -8.381 11.331 1.00 14.42 H new ATOM 0 HG13 VAL A 34 2.451 -6.967 12.269 1.00 14.42 H new ATOM 0 HG21 VAL A 34 1.168 -4.877 10.395 1.00 1.21 H new ATOM 0 HG22 VAL A 34 2.826 -4.743 11.028 1.00 1.21 H new ATOM 0 HG23 VAL A 34 2.537 -4.694 9.273 1.00 1.21 H new ATOM 354 N THR A 35 3.873 -9.254 10.869 1.00 61.01 N ATOM 355 CA THR A 35 3.954 -10.709 10.862 1.00 64.10 C ATOM 356 C THR A 35 2.571 -11.338 10.985 1.00 1.33 C ATOM 357 O THR A 35 2.326 -12.428 10.471 1.00 52.11 O ATOM 358 CB THR A 35 4.845 -11.228 12.007 1.00 43.54 C ATOM 359 OG1 THR A 35 4.283 -10.858 13.271 1.00 43.33 O ATOM 360 CG2 THR A 35 6.256 -10.669 11.890 1.00 34.31 C ATOM 0 H THR A 35 3.777 -8.841 11.797 1.00 61.01 H new ATOM 0 HA THR A 35 4.397 -10.996 9.908 1.00 64.10 H new ATOM 0 HB THR A 35 4.894 -12.315 11.936 1.00 43.54 H new ATOM 0 HG1 THR A 35 4.094 -11.665 13.794 1.00 43.33 H new ATOM 0 HG21 THR A 35 6.867 -11.049 12.709 1.00 34.31 H new ATOM 0 HG22 THR A 35 6.692 -10.977 10.939 1.00 34.31 H new ATOM 0 HG23 THR A 35 6.221 -9.581 11.938 1.00 34.31 H new ATOM 368 N GLY A 36 1.669 -10.642 11.671 1.00 52.12 N ATOM 369 CA GLY A 36 0.320 -11.148 11.849 1.00 64.14 C ATOM 370 C GLY A 36 -0.703 -10.038 11.981 1.00 50.25 C ATOM 371 O GLY A 36 -0.600 -8.991 11.341 1.00 13.43 O ATOM 0 H GLY A 36 1.848 -9.737 12.106 1.00 52.12 H new ATOM 0 HA2 GLY A 36 0.058 -11.781 11.001 1.00 64.14 H new ATOM 0 HA3 GLY A 36 0.286 -11.777 12.738 1.00 64.14 H new ATOM 375 N PRO A 37 -1.720 -10.262 12.826 1.00 24.13 N ATOM 376 CA PRO A 37 -2.786 -9.284 13.059 1.00 75.12 C ATOM 377 C PRO A 37 -2.294 -8.059 13.821 1.00 4.03 C ATOM 378 O PRO A 37 -1.097 -7.769 13.842 1.00 54.52 O ATOM 379 CB PRO A 37 -3.804 -10.062 13.897 1.00 52.22 C ATOM 380 CG PRO A 37 -3.005 -11.119 14.578 1.00 54.11 C ATOM 381 CD PRO A 37 -1.905 -11.488 13.621 1.00 15.31 C ATOM 0 HA PRO A 37 -3.191 -8.893 12.126 1.00 75.12 H new ATOM 0 HB2 PRO A 37 -4.300 -9.414 14.619 1.00 52.22 H new ATOM 0 HB3 PRO A 37 -4.583 -10.496 13.271 1.00 52.22 H new ATOM 0 HG2 PRO A 37 -2.596 -10.753 15.520 1.00 54.11 H new ATOM 0 HG3 PRO A 37 -3.624 -11.985 14.814 1.00 54.11 H new ATOM 0 HD2 PRO A 37 -0.992 -11.768 14.147 1.00 15.31 H new ATOM 0 HD3 PRO A 37 -2.185 -12.335 12.994 1.00 15.31 H new ATOM 389 N ASP A 38 -3.222 -7.345 14.447 1.00 13.52 N ATOM 390 CA ASP A 38 -2.882 -6.151 15.213 1.00 42.01 C ATOM 391 C ASP A 38 -1.855 -6.474 16.294 1.00 14.43 C ATOM 392 O ASP A 38 -1.056 -5.621 16.679 1.00 10.14 O ATOM 393 CB ASP A 38 -4.137 -5.550 15.847 1.00 74.31 C ATOM 394 CG ASP A 38 -5.165 -6.605 16.207 1.00 53.10 C ATOM 395 OD1 ASP A 38 -5.078 -7.164 17.321 1.00 45.24 O ATOM 396 OD2 ASP A 38 -6.058 -6.871 15.376 1.00 51.25 O ATOM 0 H ASP A 38 -4.216 -7.572 14.439 1.00 13.52 H new ATOM 0 HA ASP A 38 -2.447 -5.422 14.529 1.00 42.01 H new ATOM 0 HB2 ASP A 38 -3.858 -4.997 16.744 1.00 74.31 H new ATOM 0 HB3 ASP A 38 -4.582 -4.834 15.156 1.00 74.31 H new ATOM 401 N ALA A 39 -1.885 -7.710 16.781 1.00 63.12 N ATOM 402 CA ALA A 39 -0.957 -8.146 17.817 1.00 44.50 C ATOM 403 C ALA A 39 0.489 -7.892 17.401 1.00 34.32 C ATOM 404 O ALA A 39 1.300 -7.421 18.198 1.00 23.41 O ATOM 405 CB ALA A 39 -1.168 -9.620 18.129 1.00 45.32 C ATOM 0 H ALA A 39 -2.542 -8.427 16.475 1.00 63.12 H new ATOM 0 HA ALA A 39 -1.156 -7.564 18.717 1.00 44.50 H new ATOM 0 HB1 ALA A 39 -0.468 -9.932 18.904 1.00 45.32 H new ATOM 0 HB2 ALA A 39 -2.189 -9.776 18.478 1.00 45.32 H new ATOM 0 HB3 ALA A 39 -0.998 -10.210 17.229 1.00 45.32 H new ATOM 411 N ASP A 40 0.803 -8.208 16.150 1.00 62.31 N ATOM 412 CA ASP A 40 2.151 -8.014 15.628 1.00 21.52 C ATOM 413 C ASP A 40 2.334 -6.591 15.111 1.00 23.11 C ATOM 414 O ASP A 40 3.371 -5.967 15.337 1.00 50.31 O ATOM 415 CB ASP A 40 2.437 -9.018 14.510 1.00 41.54 C ATOM 416 CG ASP A 40 2.180 -10.449 14.936 1.00 33.41 C ATOM 417 OD1 ASP A 40 3.094 -11.068 15.519 1.00 44.10 O ATOM 418 OD2 ASP A 40 1.064 -10.952 14.686 1.00 12.12 O ATOM 0 H ASP A 40 0.143 -8.600 15.478 1.00 62.31 H new ATOM 0 HA ASP A 40 2.857 -8.178 16.442 1.00 21.52 H new ATOM 0 HB2 ASP A 40 1.815 -8.782 13.646 1.00 41.54 H new ATOM 0 HB3 ASP A 40 3.475 -8.918 14.193 1.00 41.54 H new ATOM 423 N ARG A 41 1.321 -6.085 14.416 1.00 43.35 N ATOM 424 CA ARG A 41 1.372 -4.736 13.864 1.00 13.02 C ATOM 425 C ARG A 41 1.541 -3.701 14.973 1.00 21.40 C ATOM 426 O ARG A 41 2.227 -2.695 14.797 1.00 60.11 O ATOM 427 CB ARG A 41 0.100 -4.440 13.066 1.00 24.52 C ATOM 428 CG ARG A 41 -0.923 -3.619 13.833 1.00 32.54 C ATOM 429 CD ARG A 41 -2.229 -3.497 13.064 1.00 41.24 C ATOM 430 NE ARG A 41 -2.490 -4.673 12.238 1.00 11.10 N ATOM 431 CZ ARG A 41 -3.693 -5.219 12.097 1.00 24.52 C ATOM 432 NH1 ARG A 41 -4.739 -4.699 12.723 1.00 3.44 N ATOM 433 NH2 ARG A 41 -3.850 -6.289 11.328 1.00 35.32 N ATOM 0 H ARG A 41 0.455 -6.588 14.222 1.00 43.35 H new ATOM 0 HA ARG A 41 2.233 -4.675 13.199 1.00 13.02 H new ATOM 0 HB2 ARG A 41 0.369 -3.908 12.153 1.00 24.52 H new ATOM 0 HB3 ARG A 41 -0.356 -5.382 12.763 1.00 24.52 H new ATOM 0 HG2 ARG A 41 -1.112 -4.083 14.801 1.00 32.54 H new ATOM 0 HG3 ARG A 41 -0.521 -2.625 14.029 1.00 32.54 H new ATOM 0 HD2 ARG A 41 -3.051 -3.357 13.766 1.00 41.24 H new ATOM 0 HD3 ARG A 41 -2.196 -2.610 12.431 1.00 41.24 H new ATOM 0 HE ARG A 41 -1.706 -5.098 11.743 1.00 11.10 H new ATOM 0 HH11 ARG A 41 -4.622 -3.877 13.315 1.00 3.44 H new ATOM 0 HH12 ARG A 41 -5.661 -5.121 12.612 1.00 3.44 H new ATOM 0 HH21 ARG A 41 -3.047 -6.692 10.845 1.00 35.32 H new ATOM 0 HH22 ARG A 41 -4.774 -6.708 11.220 1.00 35.32 H new ATOM 447 N ALA A 42 0.911 -3.957 16.115 1.00 53.32 N ATOM 448 CA ALA A 42 0.993 -3.049 17.252 1.00 12.03 C ATOM 449 C ALA A 42 2.415 -2.978 17.797 1.00 64.43 C ATOM 450 O ALA A 42 2.848 -1.940 18.297 1.00 52.11 O ATOM 451 CB ALA A 42 0.028 -3.484 18.345 1.00 22.25 C ATOM 0 H ALA A 42 0.338 -4.785 16.277 1.00 53.32 H new ATOM 0 HA ALA A 42 0.713 -2.053 16.910 1.00 12.03 H new ATOM 0 HB1 ALA A 42 0.100 -2.797 19.188 1.00 22.25 H new ATOM 0 HB2 ALA A 42 -0.990 -3.476 17.956 1.00 22.25 H new ATOM 0 HB3 ALA A 42 0.282 -4.491 18.675 1.00 22.25 H new ATOM 457 N ARG A 43 3.138 -4.089 17.697 1.00 61.22 N ATOM 458 CA ARG A 43 4.512 -4.153 18.181 1.00 33.33 C ATOM 459 C ARG A 43 5.456 -3.414 17.238 1.00 11.52 C ATOM 460 O ARG A 43 6.363 -2.709 17.679 1.00 2.22 O ATOM 461 CB ARG A 43 4.956 -5.610 18.326 1.00 4.25 C ATOM 462 CG ARG A 43 5.788 -6.112 17.158 1.00 70.05 C ATOM 463 CD ARG A 43 5.863 -7.631 17.139 1.00 1.22 C ATOM 464 NE ARG A 43 7.111 -8.110 16.551 1.00 1.02 N ATOM 465 CZ ARG A 43 7.325 -9.376 16.213 1.00 62.45 C ATOM 466 NH1 ARG A 43 6.379 -10.286 16.402 1.00 2.11 N ATOM 467 NH2 ARG A 43 8.488 -9.735 15.682 1.00 35.34 N ATOM 0 H ARG A 43 2.795 -4.957 17.285 1.00 61.22 H new ATOM 0 HA ARG A 43 4.550 -3.669 19.157 1.00 33.33 H new ATOM 0 HB2 ARG A 43 5.534 -5.715 19.244 1.00 4.25 H new ATOM 0 HB3 ARG A 43 4.074 -6.241 18.430 1.00 4.25 H new ATOM 0 HG2 ARG A 43 5.356 -5.756 16.223 1.00 70.05 H new ATOM 0 HG3 ARG A 43 6.794 -5.698 17.222 1.00 70.05 H new ATOM 0 HD2 ARG A 43 5.772 -8.011 18.157 1.00 1.22 H new ATOM 0 HD3 ARG A 43 5.020 -8.029 16.574 1.00 1.22 H new ATOM 0 HE ARG A 43 7.859 -7.435 16.391 1.00 1.02 H new ATOM 0 HH11 ARG A 43 5.484 -10.014 16.808 1.00 2.11 H new ATOM 0 HH12 ARG A 43 6.547 -11.258 16.141 1.00 2.11 H new ATOM 0 HH21 ARG A 43 9.218 -9.038 15.534 1.00 35.34 H new ATOM 0 HH22 ARG A 43 8.652 -10.708 15.423 1.00 35.34 H new ATOM 481 N ALA A 44 5.236 -3.580 15.938 1.00 14.21 N ATOM 482 CA ALA A 44 6.065 -2.927 14.933 1.00 23.11 C ATOM 483 C ALA A 44 5.633 -1.481 14.719 1.00 12.43 C ATOM 484 O ALA A 44 6.426 -0.555 14.885 1.00 2.31 O ATOM 485 CB ALA A 44 6.009 -3.696 13.622 1.00 72.35 C ATOM 0 H ALA A 44 4.490 -4.162 15.556 1.00 14.21 H new ATOM 0 HA ALA A 44 7.093 -2.921 15.295 1.00 23.11 H new ATOM 0 HB1 ALA A 44 6.633 -3.197 12.880 1.00 72.35 H new ATOM 0 HB2 ALA A 44 6.374 -4.711 13.780 1.00 72.35 H new ATOM 0 HB3 ALA A 44 4.980 -3.732 13.265 1.00 72.35 H new ATOM 491 N ALA A 45 4.370 -1.294 14.350 1.00 50.14 N ATOM 492 CA ALA A 45 3.832 0.040 14.114 1.00 1.34 C ATOM 493 C ALA A 45 4.101 0.958 15.302 1.00 24.01 C ATOM 494 O ALA A 45 4.083 2.181 15.170 1.00 42.32 O ATOM 495 CB ALA A 45 2.339 -0.035 13.831 1.00 61.01 C ATOM 0 H ALA A 45 3.700 -2.050 14.208 1.00 50.14 H new ATOM 0 HA ALA A 45 4.335 0.459 13.242 1.00 1.34 H new ATOM 0 HB1 ALA A 45 1.951 0.969 13.657 1.00 61.01 H new ATOM 0 HB2 ALA A 45 2.167 -0.649 12.947 1.00 61.01 H new ATOM 0 HB3 ALA A 45 1.828 -0.478 14.686 1.00 61.01 H new ATOM 501 N ALA A 46 4.350 0.359 16.462 1.00 4.21 N ATOM 502 CA ALA A 46 4.625 1.123 17.673 1.00 54.22 C ATOM 503 C ALA A 46 5.898 1.949 17.524 1.00 12.20 C ATOM 504 O ALA A 46 5.843 3.161 17.316 1.00 14.41 O ATOM 505 CB ALA A 46 4.734 0.192 18.871 1.00 64.10 C ATOM 0 H ALA A 46 4.367 -0.653 16.589 1.00 4.21 H new ATOM 0 HA ALA A 46 3.795 1.810 17.836 1.00 54.22 H new ATOM 0 HB1 ALA A 46 4.939 0.776 19.768 1.00 64.10 H new ATOM 0 HB2 ALA A 46 3.797 -0.350 18.997 1.00 64.10 H new ATOM 0 HB3 ALA A 46 5.544 -0.518 18.707 1.00 64.10 H new ATOM 511 N VAL A 47 7.044 1.286 17.633 1.00 64.44 N ATOM 512 CA VAL A 47 8.332 1.959 17.510 1.00 71.33 C ATOM 513 C VAL A 47 9.054 1.535 16.236 1.00 62.12 C ATOM 514 O VAL A 47 9.989 2.200 15.791 1.00 51.34 O ATOM 515 CB VAL A 47 9.236 1.665 18.721 1.00 4.54 C ATOM 516 CG1 VAL A 47 10.540 2.442 18.615 1.00 20.02 C ATOM 517 CG2 VAL A 47 8.513 1.997 20.018 1.00 22.41 C ATOM 0 H VAL A 47 7.107 0.283 17.806 1.00 64.44 H new ATOM 0 HA VAL A 47 8.128 3.029 17.469 1.00 71.33 H new ATOM 0 HB VAL A 47 9.474 0.601 18.725 1.00 4.54 H new ATOM 0 HG11 VAL A 47 11.166 2.222 19.480 1.00 20.02 H new ATOM 0 HG12 VAL A 47 11.064 2.151 17.704 1.00 20.02 H new ATOM 0 HG13 VAL A 47 10.326 3.510 18.585 1.00 20.02 H new ATOM 0 HG21 VAL A 47 9.166 1.783 20.864 1.00 22.41 H new ATOM 0 HG22 VAL A 47 8.245 3.053 20.025 1.00 22.41 H new ATOM 0 HG23 VAL A 47 7.609 1.393 20.096 1.00 22.41 H new ATOM 527 N GLN A 48 8.614 0.424 15.654 1.00 31.11 N ATOM 528 CA GLN A 48 9.219 -0.089 14.431 1.00 43.33 C ATOM 529 C GLN A 48 8.819 0.760 13.228 1.00 3.14 C ATOM 530 O GLN A 48 9.588 0.911 12.279 1.00 21.43 O ATOM 531 CB GLN A 48 8.806 -1.544 14.203 1.00 51.21 C ATOM 532 CG GLN A 48 9.822 -2.347 13.407 1.00 32.53 C ATOM 533 CD GLN A 48 10.702 -3.211 14.289 1.00 71.51 C ATOM 534 OE1 GLN A 48 10.502 -4.422 14.389 1.00 31.31 O ATOM 535 NE2 GLN A 48 11.684 -2.592 14.934 1.00 34.40 N ATOM 0 H GLN A 48 7.841 -0.138 16.010 1.00 31.11 H new ATOM 0 HA GLN A 48 10.302 -0.040 14.544 1.00 43.33 H new ATOM 0 HB2 GLN A 48 8.652 -2.025 15.169 1.00 51.21 H new ATOM 0 HB3 GLN A 48 7.850 -1.564 13.680 1.00 51.21 H new ATOM 0 HG2 GLN A 48 9.298 -2.980 12.691 1.00 32.53 H new ATOM 0 HG3 GLN A 48 10.448 -1.665 12.832 1.00 32.53 H new ATOM 0 HE21 GLN A 48 11.813 -1.586 14.822 1.00 34.40 H new ATOM 0 HE22 GLN A 48 12.309 -3.122 15.541 1.00 34.40 H new ATOM 544 N ALA A 49 7.611 1.312 13.276 1.00 44.33 N ATOM 545 CA ALA A 49 7.110 2.147 12.191 1.00 2.21 C ATOM 546 C ALA A 49 7.083 3.617 12.597 1.00 31.23 C ATOM 547 O ALA A 49 6.709 4.483 11.806 1.00 5.13 O ATOM 548 CB ALA A 49 5.722 1.688 11.770 1.00 10.20 C ATOM 0 H ALA A 49 6.962 1.196 14.054 1.00 44.33 H new ATOM 0 HA ALA A 49 7.787 2.044 11.343 1.00 2.21 H new ATOM 0 HB1 ALA A 49 5.360 2.320 10.959 1.00 10.20 H new ATOM 0 HB2 ALA A 49 5.768 0.653 11.430 1.00 10.20 H new ATOM 0 HB3 ALA A 49 5.042 1.761 12.618 1.00 10.20 H new ATOM 554 N VAL A 50 7.480 3.891 13.836 1.00 43.22 N ATOM 555 CA VAL A 50 7.502 5.257 14.347 1.00 72.51 C ATOM 556 C VAL A 50 8.895 5.865 14.232 1.00 61.41 C ATOM 557 O VAL A 50 9.121 7.029 14.562 1.00 55.10 O ATOM 558 CB VAL A 50 7.049 5.312 15.818 1.00 2.21 C ATOM 559 CG1 VAL A 50 8.249 5.230 16.750 1.00 71.35 C ATOM 560 CG2 VAL A 50 6.246 6.577 16.081 1.00 42.35 C ATOM 0 H VAL A 50 7.791 3.186 14.504 1.00 43.22 H new ATOM 0 HA VAL A 50 6.806 5.834 13.738 1.00 72.51 H new ATOM 0 HB VAL A 50 6.407 4.453 16.014 1.00 2.21 H new ATOM 0 HG11 VAL A 50 7.909 5.270 17.785 1.00 71.35 H new ATOM 0 HG12 VAL A 50 8.780 4.293 16.578 1.00 71.35 H new ATOM 0 HG13 VAL A 50 8.919 6.067 16.555 1.00 71.35 H new ATOM 0 HG21 VAL A 50 5.934 6.599 17.125 1.00 42.35 H new ATOM 0 HG22 VAL A 50 6.862 7.450 15.868 1.00 42.35 H new ATOM 0 HG23 VAL A 50 5.365 6.589 15.439 1.00 42.35 H new ATOM 570 N PRO A 51 9.854 5.059 13.752 1.00 43.32 N ATOM 571 CA PRO A 51 11.243 5.497 13.581 1.00 71.33 C ATOM 572 C PRO A 51 11.396 6.513 12.454 1.00 11.13 C ATOM 573 O PRO A 51 12.277 7.371 12.494 1.00 21.43 O ATOM 574 CB PRO A 51 11.983 4.202 13.237 1.00 71.33 C ATOM 575 CG PRO A 51 10.943 3.319 12.638 1.00 61.21 C ATOM 576 CD PRO A 51 9.657 3.660 13.338 1.00 31.24 C ATOM 0 HA PRO A 51 11.624 5.999 14.470 1.00 71.33 H new ATOM 0 HB2 PRO A 51 12.798 4.386 12.537 1.00 71.33 H new ATOM 0 HB3 PRO A 51 12.423 3.749 14.126 1.00 71.33 H new ATOM 0 HG2 PRO A 51 10.859 3.487 11.564 1.00 61.21 H new ATOM 0 HG3 PRO A 51 11.196 2.268 12.777 1.00 61.21 H new ATOM 0 HD2 PRO A 51 8.798 3.554 12.675 1.00 31.24 H new ATOM 0 HD3 PRO A 51 9.481 3.009 14.194 1.00 31.24 H new ATOM 584 N GLY A 52 10.531 6.411 11.449 1.00 10.05 N ATOM 585 CA GLY A 52 10.587 7.328 10.326 1.00 3.12 C ATOM 586 C GLY A 52 9.991 8.683 10.653 1.00 23.14 C ATOM 587 O GLY A 52 10.621 9.716 10.430 1.00 12.15 O ATOM 0 H GLY A 52 9.793 5.710 11.393 1.00 10.05 H new ATOM 0 HA2 GLY A 52 11.624 7.456 10.017 1.00 3.12 H new ATOM 0 HA3 GLY A 52 10.053 6.895 9.480 1.00 3.12 H new ATOM 591 N GLY A 53 8.772 8.679 11.183 1.00 55.12 N ATOM 592 CA GLY A 53 8.110 9.923 11.531 1.00 70.02 C ATOM 593 C GLY A 53 6.857 9.703 12.355 1.00 24.55 C ATOM 594 O GLY A 53 6.521 10.515 13.218 1.00 22.31 O ATOM 0 H GLY A 53 8.231 7.837 11.378 1.00 55.12 H new ATOM 0 HA2 GLY A 53 8.801 10.555 12.088 1.00 70.02 H new ATOM 0 HA3 GLY A 53 7.851 10.461 10.619 1.00 70.02 H new ATOM 598 N THR A 54 6.162 8.601 12.090 1.00 21.21 N ATOM 599 CA THR A 54 4.938 8.277 12.812 1.00 41.21 C ATOM 600 C THR A 54 4.790 6.771 12.996 1.00 40.22 C ATOM 601 O THR A 54 5.273 5.986 12.180 1.00 2.43 O ATOM 602 CB THR A 54 3.695 8.818 12.081 1.00 50.34 C ATOM 603 OG1 THR A 54 4.026 10.020 11.376 1.00 14.31 O ATOM 604 CG2 THR A 54 2.567 9.094 13.063 1.00 53.11 C ATOM 0 H THR A 54 6.426 7.918 11.380 1.00 21.21 H new ATOM 0 HA THR A 54 5.012 8.754 13.789 1.00 41.21 H new ATOM 0 HB THR A 54 3.360 8.062 11.371 1.00 50.34 H new ATOM 0 HG1 THR A 54 3.231 10.357 10.913 1.00 14.31 H new ATOM 0 HG21 THR A 54 1.700 9.475 12.523 1.00 53.11 H new ATOM 0 HG22 THR A 54 2.298 8.171 13.577 1.00 53.11 H new ATOM 0 HG23 THR A 54 2.894 9.834 13.794 1.00 53.11 H new ATOM 612 N ALA A 55 4.118 6.374 14.072 1.00 45.33 N ATOM 613 CA ALA A 55 3.905 4.962 14.361 1.00 74.23 C ATOM 614 C ALA A 55 2.900 4.349 13.390 1.00 24.25 C ATOM 615 O ALA A 55 1.734 4.155 13.729 1.00 32.25 O ATOM 616 CB ALA A 55 3.432 4.782 15.796 1.00 51.32 C ATOM 0 H ALA A 55 3.712 7.011 14.758 1.00 45.33 H new ATOM 0 HA ALA A 55 4.856 4.443 14.236 1.00 74.23 H new ATOM 0 HB1 ALA A 55 3.277 3.722 15.998 1.00 51.32 H new ATOM 0 HB2 ALA A 55 4.185 5.175 16.479 1.00 51.32 H new ATOM 0 HB3 ALA A 55 2.495 5.320 15.940 1.00 51.32 H new ATOM 622 N GLY A 56 3.362 4.046 12.181 1.00 50.33 N ATOM 623 CA GLY A 56 2.491 3.459 11.180 1.00 55.33 C ATOM 624 C GLY A 56 3.205 2.440 10.314 1.00 3.44 C ATOM 625 O GLY A 56 3.920 2.803 9.380 1.00 32.25 O ATOM 0 H GLY A 56 4.324 4.197 11.877 1.00 50.33 H new ATOM 0 HA2 GLY A 56 1.645 2.982 11.674 1.00 55.33 H new ATOM 0 HA3 GLY A 56 2.086 4.249 10.547 1.00 55.33 H new ATOM 629 N GLU A 57 3.014 1.163 10.627 1.00 74.54 N ATOM 630 CA GLU A 57 3.648 0.089 9.871 1.00 23.22 C ATOM 631 C GLU A 57 2.732 -0.407 8.756 1.00 20.43 C ATOM 632 O GLU A 57 1.754 0.251 8.402 1.00 42.23 O ATOM 633 CB GLU A 57 4.014 -1.071 10.800 1.00 40.02 C ATOM 634 CG GLU A 57 5.280 -1.804 10.389 1.00 51.04 C ATOM 635 CD GLU A 57 5.181 -3.302 10.600 1.00 22.31 C ATOM 636 OE1 GLU A 57 4.320 -3.733 11.396 1.00 60.05 O ATOM 637 OE2 GLU A 57 5.965 -4.044 9.971 1.00 13.32 O ATOM 0 H GLU A 57 2.426 0.847 11.398 1.00 74.54 H new ATOM 0 HA GLU A 57 4.558 0.485 9.420 1.00 23.22 H new ATOM 0 HB2 GLU A 57 4.138 -0.689 11.813 1.00 40.02 H new ATOM 0 HB3 GLU A 57 3.186 -1.780 10.826 1.00 40.02 H new ATOM 0 HG2 GLU A 57 5.488 -1.602 9.338 1.00 51.04 H new ATOM 0 HG3 GLU A 57 6.122 -1.415 10.961 1.00 51.04 H new ATOM 644 N VAL A 58 3.056 -1.574 8.207 1.00 43.52 N ATOM 645 CA VAL A 58 2.263 -2.159 7.133 1.00 63.33 C ATOM 646 C VAL A 58 2.196 -3.677 7.264 1.00 12.31 C ATOM 647 O VAL A 58 3.224 -4.350 7.326 1.00 12.03 O ATOM 648 CB VAL A 58 2.839 -1.800 5.750 1.00 53.11 C ATOM 649 CG1 VAL A 58 2.427 -2.835 4.714 1.00 21.35 C ATOM 650 CG2 VAL A 58 2.390 -0.408 5.332 1.00 54.11 C ATOM 0 H VAL A 58 3.862 -2.132 8.489 1.00 43.52 H new ATOM 0 HA VAL A 58 1.259 -1.744 7.219 1.00 63.33 H new ATOM 0 HB VAL A 58 3.927 -1.802 5.817 1.00 53.11 H new ATOM 0 HG11 VAL A 58 2.843 -2.564 3.744 1.00 21.35 H new ATOM 0 HG12 VAL A 58 2.802 -3.815 5.009 1.00 21.35 H new ATOM 0 HG13 VAL A 58 1.340 -2.869 4.646 1.00 21.35 H new ATOM 0 HG21 VAL A 58 2.806 -0.170 4.353 1.00 54.11 H new ATOM 0 HG22 VAL A 58 1.302 -0.377 5.281 1.00 54.11 H new ATOM 0 HG23 VAL A 58 2.740 0.322 6.062 1.00 54.11 H new ATOM 660 N GLU A 59 0.978 -4.208 7.305 1.00 30.12 N ATOM 661 CA GLU A 59 0.777 -5.647 7.430 1.00 70.05 C ATOM 662 C GLU A 59 0.581 -6.289 6.059 1.00 31.43 C ATOM 663 O GLU A 59 0.168 -5.630 5.104 1.00 30.35 O ATOM 664 CB GLU A 59 -0.432 -5.940 8.320 1.00 31.42 C ATOM 665 CG GLU A 59 -1.762 -5.852 7.590 1.00 3.32 C ATOM 666 CD GLU A 59 -2.934 -6.261 8.461 1.00 63.52 C ATOM 667 OE1 GLU A 59 -2.939 -7.412 8.946 1.00 13.23 O ATOM 668 OE2 GLU A 59 -3.845 -5.431 8.657 1.00 55.45 O ATOM 0 H GLU A 59 0.117 -3.664 7.254 1.00 30.12 H new ATOM 0 HA GLU A 59 1.668 -6.075 7.889 1.00 70.05 H new ATOM 0 HB2 GLU A 59 -0.326 -6.938 8.745 1.00 31.42 H new ATOM 0 HB3 GLU A 59 -0.438 -5.238 9.153 1.00 31.42 H new ATOM 0 HG2 GLU A 59 -1.913 -4.831 7.240 1.00 3.32 H new ATOM 0 HG3 GLU A 59 -1.730 -6.490 6.707 1.00 3.32 H new ATOM 675 N THR A 60 0.881 -7.582 5.970 1.00 53.45 N ATOM 676 CA THR A 60 0.740 -8.314 4.717 1.00 13.33 C ATOM 677 C THR A 60 -0.008 -9.625 4.928 1.00 20.24 C ATOM 678 O THR A 60 0.458 -10.506 5.650 1.00 21.11 O ATOM 679 CB THR A 60 2.112 -8.614 4.085 1.00 74.14 C ATOM 680 OG1 THR A 60 1.969 -9.587 3.044 1.00 54.03 O ATOM 681 CG2 THR A 60 3.090 -9.124 5.132 1.00 63.34 C ATOM 0 H THR A 60 1.223 -8.143 6.750 1.00 53.45 H new ATOM 0 HA THR A 60 0.168 -7.678 4.041 1.00 13.33 H new ATOM 0 HB THR A 60 2.505 -7.688 3.665 1.00 74.14 H new ATOM 0 HG1 THR A 60 2.845 -9.771 2.646 1.00 54.03 H new ATOM 0 HG21 THR A 60 4.052 -9.329 4.662 1.00 63.34 H new ATOM 0 HG22 THR A 60 3.219 -8.369 5.908 1.00 63.34 H new ATOM 0 HG23 THR A 60 2.701 -10.040 5.578 1.00 63.34 H new ATOM 689 N GLU A 61 -1.169 -9.748 4.293 1.00 15.14 N ATOM 690 CA GLU A 61 -1.981 -10.953 4.413 1.00 71.40 C ATOM 691 C GLU A 61 -2.554 -11.360 3.058 1.00 13.14 C ATOM 692 O GLU A 61 -2.652 -10.543 2.142 1.00 71.43 O ATOM 693 CB GLU A 61 -3.117 -10.733 5.414 1.00 21.03 C ATOM 694 CG GLU A 61 -3.081 -11.688 6.595 1.00 21.24 C ATOM 695 CD GLU A 61 -4.287 -12.606 6.641 1.00 54.33 C ATOM 696 OE1 GLU A 61 -5.328 -12.189 7.191 1.00 32.34 O ATOM 697 OE2 GLU A 61 -4.191 -13.739 6.126 1.00 31.32 O ATOM 0 H GLU A 61 -1.568 -9.028 3.690 1.00 15.14 H new ATOM 0 HA GLU A 61 -1.340 -11.757 4.774 1.00 71.40 H new ATOM 0 HB2 GLU A 61 -3.070 -9.709 5.784 1.00 21.03 H new ATOM 0 HB3 GLU A 61 -4.071 -10.842 4.898 1.00 21.03 H new ATOM 0 HG2 GLU A 61 -2.173 -12.289 6.543 1.00 21.24 H new ATOM 0 HG3 GLU A 61 -3.031 -11.114 7.520 1.00 21.24 H new ATOM 704 N THR A 62 -2.932 -12.629 2.939 1.00 62.11 N ATOM 705 CA THR A 62 -3.493 -13.146 1.697 1.00 13.23 C ATOM 706 C THR A 62 -5.015 -13.061 1.705 1.00 53.11 C ATOM 707 O THR A 62 -5.651 -13.046 0.652 1.00 52.31 O ATOM 708 CB THR A 62 -3.073 -14.608 1.456 1.00 33.04 C ATOM 709 OG1 THR A 62 -2.597 -15.188 2.676 1.00 72.31 O ATOM 710 CG2 THR A 62 -1.989 -14.691 0.392 1.00 34.42 C ATOM 0 H THR A 62 -2.860 -13.318 3.688 1.00 62.11 H new ATOM 0 HA THR A 62 -3.101 -12.526 0.891 1.00 13.23 H new ATOM 0 HB THR A 62 -3.945 -15.161 1.107 1.00 33.04 H new ATOM 0 HG1 THR A 62 -2.333 -16.118 2.515 1.00 72.31 H new ATOM 0 HG21 THR A 62 -1.708 -15.733 0.239 1.00 34.42 H new ATOM 0 HG22 THR A 62 -2.364 -14.275 -0.543 1.00 34.42 H new ATOM 0 HG23 THR A 62 -1.116 -14.124 0.717 1.00 34.42 H new ATOM 718 N GLY A 63 -5.595 -13.005 2.901 1.00 65.04 N ATOM 719 CA GLY A 63 -7.038 -12.922 3.022 1.00 12.43 C ATOM 720 C GLY A 63 -7.755 -13.857 2.069 1.00 14.11 C ATOM 721 O GLY A 63 -7.184 -14.848 1.615 1.00 40.51 O ATOM 0 H GLY A 63 -5.091 -13.016 3.787 1.00 65.04 H new ATOM 0 HA2 GLY A 63 -7.328 -13.159 4.046 1.00 12.43 H new ATOM 0 HA3 GLY A 63 -7.357 -11.898 2.830 1.00 12.43 H new ATOM 725 N GLU A 64 -9.011 -13.543 1.767 1.00 53.20 N ATOM 726 CA GLU A 64 -9.808 -14.365 0.864 1.00 65.05 C ATOM 727 C GLU A 64 -9.681 -13.872 -0.575 1.00 63.00 C ATOM 728 O GLU A 64 -9.894 -14.627 -1.523 1.00 32.04 O ATOM 729 CB GLU A 64 -11.277 -14.355 1.290 1.00 1.51 C ATOM 730 CG GLU A 64 -12.084 -15.510 0.722 1.00 41.31 C ATOM 731 CD GLU A 64 -13.550 -15.440 1.103 1.00 60.40 C ATOM 732 OE1 GLU A 64 -13.858 -15.592 2.304 1.00 41.31 O ATOM 733 OE2 GLU A 64 -14.389 -15.235 0.201 1.00 20.23 O ATOM 0 H GLU A 64 -9.498 -12.726 2.134 1.00 53.20 H new ATOM 0 HA GLU A 64 -9.430 -15.386 0.915 1.00 65.05 H new ATOM 0 HB2 GLU A 64 -11.331 -14.386 2.378 1.00 1.51 H new ATOM 0 HB3 GLU A 64 -11.731 -13.416 0.975 1.00 1.51 H new ATOM 0 HG2 GLU A 64 -11.994 -15.511 -0.364 1.00 41.31 H new ATOM 0 HG3 GLU A 64 -11.664 -16.451 1.078 1.00 41.31 H new ATOM 740 N GLY A 65 -9.332 -12.598 -0.730 1.00 22.35 N ATOM 741 CA GLY A 65 -9.183 -12.025 -2.055 1.00 31.35 C ATOM 742 C GLY A 65 -7.796 -12.241 -2.627 1.00 73.12 C ATOM 743 O GLY A 65 -7.365 -13.378 -2.814 1.00 63.30 O ATOM 0 H GLY A 65 -9.150 -11.953 0.039 1.00 22.35 H new ATOM 0 HA2 GLY A 65 -9.921 -12.467 -2.724 1.00 31.35 H new ATOM 0 HA3 GLY A 65 -9.392 -10.956 -2.011 1.00 31.35 H new ATOM 747 N ALA A 66 -7.097 -11.147 -2.908 1.00 40.53 N ATOM 748 CA ALA A 66 -5.751 -11.221 -3.463 1.00 31.31 C ATOM 749 C ALA A 66 -4.728 -10.620 -2.505 1.00 33.53 C ATOM 750 O ALA A 66 -4.061 -11.341 -1.763 1.00 44.41 O ATOM 751 CB ALA A 66 -5.695 -10.515 -4.809 1.00 41.51 C ATOM 0 H ALA A 66 -7.441 -10.198 -2.760 1.00 40.53 H new ATOM 0 HA ALA A 66 -5.502 -12.272 -3.606 1.00 31.31 H new ATOM 0 HB1 ALA A 66 -4.684 -10.578 -5.211 1.00 41.51 H new ATOM 0 HB2 ALA A 66 -6.391 -10.992 -5.499 1.00 41.51 H new ATOM 0 HB3 ALA A 66 -5.970 -9.468 -4.682 1.00 41.51 H new ATOM 757 N ALA A 67 -4.610 -9.297 -2.526 1.00 53.13 N ATOM 758 CA ALA A 67 -3.670 -8.600 -1.658 1.00 44.53 C ATOM 759 C ALA A 67 -4.339 -8.166 -0.359 1.00 33.23 C ATOM 760 O ALA A 67 -4.717 -7.006 -0.201 1.00 55.22 O ATOM 761 CB ALA A 67 -3.081 -7.395 -2.378 1.00 23.21 C ATOM 0 H ALA A 67 -5.154 -8.686 -3.135 1.00 53.13 H new ATOM 0 HA ALA A 67 -2.865 -9.291 -1.408 1.00 44.53 H new ATOM 0 HB1 ALA A 67 -2.380 -6.883 -1.718 1.00 23.21 H new ATOM 0 HB2 ALA A 67 -2.558 -7.727 -3.275 1.00 23.21 H new ATOM 0 HB3 ALA A 67 -3.882 -6.711 -2.657 1.00 23.21 H new ATOM 767 N ALA A 68 -4.483 -9.106 0.569 1.00 33.55 N ATOM 768 CA ALA A 68 -5.106 -8.821 1.856 1.00 53.11 C ATOM 769 C ALA A 68 -4.110 -8.184 2.819 1.00 32.20 C ATOM 770 O ALA A 68 -3.797 -8.749 3.867 1.00 31.41 O ATOM 771 CB ALA A 68 -5.684 -10.094 2.457 1.00 53.25 C ATOM 0 H ALA A 68 -4.177 -10.072 0.454 1.00 33.55 H new ATOM 0 HA ALA A 68 -5.916 -8.111 1.690 1.00 53.11 H new ATOM 0 HB1 ALA A 68 -6.146 -9.866 3.418 1.00 53.25 H new ATOM 0 HB2 ALA A 68 -6.434 -10.507 1.783 1.00 53.25 H new ATOM 0 HB3 ALA A 68 -4.886 -10.823 2.602 1.00 53.25 H new ATOM 777 N TYR A 69 -3.615 -7.006 2.457 1.00 11.10 N ATOM 778 CA TYR A 69 -2.652 -6.294 3.288 1.00 4.10 C ATOM 779 C TYR A 69 -3.245 -4.991 3.815 1.00 2.04 C ATOM 780 O TYR A 69 -4.165 -4.430 3.222 1.00 11.35 O ATOM 781 CB TYR A 69 -1.378 -6.002 2.493 1.00 61.22 C ATOM 782 CG TYR A 69 -1.244 -4.556 2.074 1.00 44.42 C ATOM 783 CD1 TYR A 69 -1.959 -4.056 0.992 1.00 65.20 C ATOM 784 CD2 TYR A 69 -0.401 -3.689 2.759 1.00 53.43 C ATOM 785 CE1 TYR A 69 -1.839 -2.735 0.605 1.00 64.51 C ATOM 786 CE2 TYR A 69 -0.276 -2.366 2.380 1.00 73.13 C ATOM 787 CZ TYR A 69 -0.997 -1.894 1.302 1.00 24.42 C ATOM 788 OH TYR A 69 -0.874 -0.578 0.921 1.00 43.04 O ATOM 0 H TYR A 69 -3.865 -6.524 1.594 1.00 11.10 H new ATOM 0 HA TYR A 69 -2.405 -6.930 4.138 1.00 4.10 H new ATOM 0 HB2 TYR A 69 -0.513 -6.279 3.095 1.00 61.22 H new ATOM 0 HB3 TYR A 69 -1.362 -6.632 1.604 1.00 61.22 H new ATOM 0 HD1 TYR A 69 -2.620 -4.711 0.444 1.00 65.20 H new ATOM 0 HD2 TYR A 69 0.166 -4.056 3.602 1.00 53.43 H new ATOM 0 HE1 TYR A 69 -2.401 -2.363 -0.239 1.00 64.51 H new ATOM 0 HE2 TYR A 69 0.382 -1.705 2.924 1.00 73.13 H new ATOM 0 HH TYR A 69 -0.350 -0.524 0.094 1.00 43.04 H new ATOM 798 N GLY A 70 -2.709 -4.515 4.935 1.00 11.14 N ATOM 799 CA GLY A 70 -3.197 -3.282 5.525 1.00 45.41 C ATOM 800 C GLY A 70 -2.074 -2.400 6.035 1.00 12.31 C ATOM 801 O GLY A 70 -0.974 -2.879 6.311 1.00 73.14 O ATOM 0 H GLY A 70 -1.946 -4.961 5.444 1.00 11.14 H new ATOM 0 HA2 GLY A 70 -3.778 -2.733 4.784 1.00 45.41 H new ATOM 0 HA3 GLY A 70 -3.872 -3.518 6.348 1.00 45.41 H new ATOM 805 N VAL A 71 -2.351 -1.105 6.160 1.00 63.50 N ATOM 806 CA VAL A 71 -1.356 -0.154 6.640 1.00 44.13 C ATOM 807 C VAL A 71 -1.891 0.656 7.815 1.00 34.21 C ATOM 808 O VAL A 71 -2.872 1.389 7.683 1.00 73.15 O ATOM 809 CB VAL A 71 -0.918 0.812 5.522 1.00 21.44 C ATOM 810 CG1 VAL A 71 -2.131 1.393 4.813 1.00 14.22 C ATOM 811 CG2 VAL A 71 -0.040 1.918 6.088 1.00 20.43 C ATOM 0 H VAL A 71 -3.256 -0.691 5.935 1.00 63.50 H new ATOM 0 HA VAL A 71 -0.494 -0.736 6.966 1.00 44.13 H new ATOM 0 HB VAL A 71 -0.333 0.253 4.791 1.00 21.44 H new ATOM 0 HG11 VAL A 71 -1.802 2.073 4.027 1.00 14.22 H new ATOM 0 HG12 VAL A 71 -2.717 0.586 4.373 1.00 14.22 H new ATOM 0 HG13 VAL A 71 -2.745 1.938 5.530 1.00 14.22 H new ATOM 0 HG21 VAL A 71 0.260 2.591 5.285 1.00 20.43 H new ATOM 0 HG22 VAL A 71 -0.598 2.476 6.840 1.00 20.43 H new ATOM 0 HG23 VAL A 71 0.847 1.480 6.545 1.00 20.43 H new ATOM 821 N LEU A 72 -1.241 0.519 8.966 1.00 54.25 N ATOM 822 CA LEU A 72 -1.652 1.239 10.166 1.00 23.13 C ATOM 823 C LEU A 72 -0.688 2.381 10.473 1.00 71.22 C ATOM 824 O LEU A 72 0.529 2.221 10.383 1.00 23.23 O ATOM 825 CB LEU A 72 -1.723 0.283 11.358 1.00 32.13 C ATOM 826 CG LEU A 72 -0.711 -0.864 11.361 1.00 53.51 C ATOM 827 CD1 LEU A 72 -1.055 -1.881 10.284 1.00 23.12 C ATOM 828 CD2 LEU A 72 0.700 -0.330 11.162 1.00 12.33 C ATOM 0 H LEU A 72 -0.428 -0.084 9.093 1.00 54.25 H new ATOM 0 HA LEU A 72 -2.641 1.661 9.986 1.00 23.13 H new ATOM 0 HB2 LEU A 72 -1.588 0.862 12.271 1.00 32.13 H new ATOM 0 HB3 LEU A 72 -2.725 -0.144 11.397 1.00 32.13 H new ATOM 0 HG LEU A 72 -0.756 -1.362 12.330 1.00 53.51 H new ATOM 0 HD11 LEU A 72 -0.325 -2.690 10.301 1.00 23.12 H new ATOM 0 HD12 LEU A 72 -2.050 -2.286 10.471 1.00 23.12 H new ATOM 0 HD13 LEU A 72 -1.038 -1.397 9.308 1.00 23.12 H new ATOM 0 HD21 LEU A 72 1.407 -1.160 11.167 1.00 12.33 H new ATOM 0 HD22 LEU A 72 0.760 0.192 10.207 1.00 12.33 H new ATOM 0 HD23 LEU A 72 0.945 0.360 11.969 1.00 12.33 H new ATOM 840 N VAL A 73 -1.241 3.533 10.837 1.00 51.52 N ATOM 841 CA VAL A 73 -0.431 4.702 11.160 1.00 22.31 C ATOM 842 C VAL A 73 -1.094 5.549 12.240 1.00 34.10 C ATOM 843 O VAL A 73 -2.240 5.977 12.093 1.00 3.22 O ATOM 844 CB VAL A 73 -0.185 5.576 9.916 1.00 22.11 C ATOM 845 CG1 VAL A 73 -1.505 6.029 9.312 1.00 13.12 C ATOM 846 CG2 VAL A 73 0.687 6.771 10.269 1.00 4.14 C ATOM 0 H VAL A 73 -2.247 3.682 10.916 1.00 51.52 H new ATOM 0 HA VAL A 73 0.525 4.332 11.529 1.00 22.31 H new ATOM 0 HB VAL A 73 0.341 4.978 9.172 1.00 22.11 H new ATOM 0 HG11 VAL A 73 -1.311 6.645 8.434 1.00 13.12 H new ATOM 0 HG12 VAL A 73 -2.090 5.157 9.021 1.00 13.12 H new ATOM 0 HG13 VAL A 73 -2.061 6.610 10.048 1.00 13.12 H new ATOM 0 HG21 VAL A 73 0.851 7.378 9.378 1.00 4.14 H new ATOM 0 HG22 VAL A 73 0.190 7.372 11.031 1.00 4.14 H new ATOM 0 HG23 VAL A 73 1.646 6.421 10.651 1.00 4.14 H new ATOM 856 N THR A 74 -0.367 5.788 13.327 1.00 52.51 N ATOM 857 CA THR A 74 -0.885 6.584 14.433 1.00 42.12 C ATOM 858 C THR A 74 0.224 6.951 15.412 1.00 1.04 C ATOM 859 O THR A 74 1.278 7.447 15.014 1.00 0.10 O ATOM 860 CB THR A 74 -1.997 5.836 15.191 1.00 32.40 C ATOM 861 OG1 THR A 74 -2.874 5.189 14.262 1.00 50.13 O ATOM 862 CG2 THR A 74 -2.793 6.792 16.066 1.00 33.33 C ATOM 0 H THR A 74 0.582 5.442 13.465 1.00 52.51 H new ATOM 0 HA THR A 74 -1.300 7.494 14.000 1.00 42.12 H new ATOM 0 HB THR A 74 -1.530 5.087 15.830 1.00 32.40 H new ATOM 0 HG1 THR A 74 -3.013 5.769 13.485 1.00 50.13 H new ATOM 0 HG21 THR A 74 -3.573 6.241 16.591 1.00 33.33 H new ATOM 0 HG22 THR A 74 -2.128 7.260 16.792 1.00 33.33 H new ATOM 0 HG23 THR A 74 -3.250 7.561 15.443 1.00 33.33 H new ATOM 870 N ARG A 75 -0.020 6.703 16.695 1.00 11.41 N ATOM 871 CA ARG A 75 0.958 7.009 17.732 1.00 65.42 C ATOM 872 C ARG A 75 1.639 5.736 18.229 1.00 55.30 C ATOM 873 O ARG A 75 1.050 4.655 18.247 1.00 30.03 O ATOM 874 CB ARG A 75 0.286 7.730 18.901 1.00 1.50 C ATOM 875 CG ARG A 75 -0.801 8.702 18.473 1.00 54.04 C ATOM 876 CD ARG A 75 -1.243 9.588 19.627 1.00 51.12 C ATOM 877 NE ARG A 75 -1.228 11.003 19.267 1.00 1.53 N ATOM 878 CZ ARG A 75 -1.287 11.988 20.157 1.00 40.43 C ATOM 879 NH1 ARG A 75 -1.364 11.713 21.451 1.00 14.13 N ATOM 880 NH2 ARG A 75 -1.268 13.252 19.752 1.00 72.24 N ATOM 0 H ARG A 75 -0.887 6.291 17.041 1.00 11.41 H new ATOM 0 HA ARG A 75 1.716 7.662 17.300 1.00 65.42 H new ATOM 0 HB2 ARG A 75 -0.145 6.989 19.574 1.00 1.50 H new ATOM 0 HB3 ARG A 75 1.044 8.272 19.467 1.00 1.50 H new ATOM 0 HG2 ARG A 75 -0.434 9.323 17.656 1.00 54.04 H new ATOM 0 HG3 ARG A 75 -1.657 8.146 18.091 1.00 54.04 H new ATOM 0 HD2 ARG A 75 -2.248 9.304 19.938 1.00 51.12 H new ATOM 0 HD3 ARG A 75 -0.587 9.424 20.482 1.00 51.12 H new ATOM 0 HE ARG A 75 -1.169 11.249 18.279 1.00 1.53 H new ATOM 0 HH11 ARG A 75 -1.378 10.743 21.766 1.00 14.13 H new ATOM 0 HH12 ARG A 75 -1.409 12.471 22.132 1.00 14.13 H new ATOM 0 HH21 ARG A 75 -1.208 13.468 18.757 1.00 72.24 H new ATOM 0 HH22 ARG A 75 -1.313 14.007 20.436 1.00 72.24 H new ATOM 894 N PRO A 76 2.908 5.866 18.642 1.00 41.14 N ATOM 895 CA PRO A 76 3.696 4.738 19.146 1.00 32.54 C ATOM 896 C PRO A 76 3.202 4.247 20.503 1.00 30.30 C ATOM 897 O PRO A 76 3.825 3.387 21.127 1.00 13.41 O ATOM 898 CB PRO A 76 5.107 5.317 19.269 1.00 64.33 C ATOM 899 CG PRO A 76 4.902 6.782 19.442 1.00 31.04 C ATOM 900 CD PRO A 76 3.672 7.125 18.648 1.00 64.24 C ATOM 0 HA PRO A 76 3.632 3.871 18.489 1.00 32.54 H new ATOM 0 HB2 PRO A 76 5.638 4.889 20.119 1.00 64.33 H new ATOM 0 HB3 PRO A 76 5.702 5.103 18.381 1.00 64.33 H new ATOM 0 HG2 PRO A 76 4.771 7.036 20.494 1.00 31.04 H new ATOM 0 HG3 PRO A 76 5.766 7.342 19.084 1.00 31.04 H new ATOM 0 HD2 PRO A 76 3.108 7.935 19.110 1.00 64.24 H new ATOM 0 HD3 PRO A 76 3.923 7.448 17.638 1.00 64.24 H new ATOM 908 N ASP A 77 2.080 4.797 20.953 1.00 1.35 N ATOM 909 CA ASP A 77 1.502 4.414 22.236 1.00 13.01 C ATOM 910 C ASP A 77 0.479 3.296 22.059 1.00 63.22 C ATOM 911 O ASP A 77 -0.602 3.330 22.645 1.00 4.33 O ATOM 912 CB ASP A 77 0.844 5.622 22.904 1.00 13.24 C ATOM 913 CG ASP A 77 0.344 5.310 24.301 1.00 1.34 C ATOM 914 OD1 ASP A 77 0.865 4.358 24.919 1.00 44.43 O ATOM 915 OD2 ASP A 77 -0.569 6.018 24.777 1.00 21.31 O ATOM 0 H ASP A 77 1.552 5.509 20.449 1.00 1.35 H new ATOM 0 HA ASP A 77 2.307 4.049 22.874 1.00 13.01 H new ATOM 0 HB2 ASP A 77 1.561 6.442 22.952 1.00 13.24 H new ATOM 0 HB3 ASP A 77 0.010 5.963 22.291 1.00 13.24 H new ATOM 920 N GLY A 78 0.829 2.305 21.244 1.00 30.54 N ATOM 921 CA GLY A 78 -0.069 1.191 21.003 1.00 34.43 C ATOM 922 C GLY A 78 -1.237 1.570 20.115 1.00 74.43 C ATOM 923 O GLY A 78 -2.041 0.717 19.735 1.00 52.43 O ATOM 0 H GLY A 78 1.718 2.254 20.747 1.00 30.54 H new ATOM 0 HA2 GLY A 78 0.486 0.375 20.540 1.00 34.43 H new ATOM 0 HA3 GLY A 78 -0.446 0.820 21.956 1.00 34.43 H new ATOM 927 N THR A 79 -1.334 2.853 19.783 1.00 54.34 N ATOM 928 CA THR A 79 -2.414 3.344 18.936 1.00 51.32 C ATOM 929 C THR A 79 -1.995 3.370 17.470 1.00 34.52 C ATOM 930 O THR A 79 -0.998 3.995 17.111 1.00 51.34 O ATOM 931 CB THR A 79 -2.859 4.758 19.355 1.00 5.23 C ATOM 932 OG1 THR A 79 -1.902 5.725 18.908 1.00 51.32 O ATOM 933 CG2 THR A 79 -3.012 4.851 20.866 1.00 55.11 C ATOM 0 H THR A 79 -0.677 3.572 20.088 1.00 54.34 H new ATOM 0 HA THR A 79 -3.250 2.656 19.061 1.00 51.32 H new ATOM 0 HB THR A 79 -3.825 4.963 18.894 1.00 5.23 H new ATOM 0 HG1 THR A 79 -1.085 5.267 18.619 1.00 51.32 H new ATOM 0 HG21 THR A 79 -3.327 5.858 21.139 1.00 55.11 H new ATOM 0 HG22 THR A 79 -3.761 4.134 21.201 1.00 55.11 H new ATOM 0 HG23 THR A 79 -2.058 4.628 21.343 1.00 55.11 H new ATOM 941 N ARG A 80 -2.764 2.686 16.628 1.00 3.13 N ATOM 942 CA ARG A 80 -2.471 2.630 15.201 1.00 15.21 C ATOM 943 C ARG A 80 -3.759 2.555 14.385 1.00 3.21 C ATOM 944 O ARG A 80 -4.799 2.129 14.885 1.00 35.44 O ATOM 945 CB ARG A 80 -1.585 1.424 14.887 1.00 31.52 C ATOM 946 CG ARG A 80 -1.524 0.404 16.012 1.00 31.54 C ATOM 947 CD ARG A 80 -1.482 -1.018 15.474 1.00 23.00 C ATOM 948 NE ARG A 80 -2.586 -1.829 15.981 1.00 5.45 N ATOM 949 CZ ARG A 80 -2.821 -2.023 17.274 1.00 0.33 C ATOM 950 NH1 ARG A 80 -2.034 -1.467 18.186 1.00 73.14 N ATOM 951 NH2 ARG A 80 -3.846 -2.774 17.658 1.00 44.51 N ATOM 0 H ARG A 80 -3.594 2.164 16.909 1.00 3.13 H new ATOM 0 HA ARG A 80 -1.940 3.542 14.928 1.00 15.21 H new ATOM 0 HB2 ARG A 80 -1.956 0.936 13.985 1.00 31.52 H new ATOM 0 HB3 ARG A 80 -0.576 1.772 14.669 1.00 31.52 H new ATOM 0 HG2 ARG A 80 -0.641 0.589 16.624 1.00 31.54 H new ATOM 0 HG3 ARG A 80 -2.392 0.523 16.660 1.00 31.54 H new ATOM 0 HD2 ARG A 80 -1.520 -0.995 14.385 1.00 23.00 H new ATOM 0 HD3 ARG A 80 -0.535 -1.482 15.750 1.00 23.00 H new ATOM 0 HE ARG A 80 -3.210 -2.270 15.306 1.00 5.45 H new ATOM 0 HH11 ARG A 80 -1.246 -0.889 17.895 1.00 73.14 H new ATOM 0 HH12 ARG A 80 -2.217 -1.618 19.178 1.00 73.14 H new ATOM 0 HH21 ARG A 80 -4.454 -3.203 16.960 1.00 44.51 H new ATOM 0 HH22 ARG A 80 -4.026 -2.922 18.651 1.00 44.51 H new ATOM 965 N VAL A 81 -3.680 2.973 13.126 1.00 52.43 N ATOM 966 CA VAL A 81 -4.838 2.953 12.240 1.00 51.31 C ATOM 967 C VAL A 81 -4.623 1.993 11.075 1.00 4.24 C ATOM 968 O VAL A 81 -4.222 2.403 9.987 1.00 43.33 O ATOM 969 CB VAL A 81 -5.144 4.357 11.684 1.00 61.21 C ATOM 970 CG1 VAL A 81 -6.302 4.301 10.700 1.00 72.34 C ATOM 971 CG2 VAL A 81 -5.444 5.325 12.818 1.00 22.13 C ATOM 0 H VAL A 81 -2.826 3.330 12.696 1.00 52.43 H new ATOM 0 HA VAL A 81 -5.686 2.613 12.835 1.00 51.31 H new ATOM 0 HB VAL A 81 -4.264 4.718 11.152 1.00 61.21 H new ATOM 0 HG11 VAL A 81 -6.504 5.302 10.318 1.00 72.34 H new ATOM 0 HG12 VAL A 81 -6.044 3.641 9.871 1.00 72.34 H new ATOM 0 HG13 VAL A 81 -7.190 3.920 11.204 1.00 72.34 H new ATOM 0 HG21 VAL A 81 -5.658 6.312 12.407 1.00 22.13 H new ATOM 0 HG22 VAL A 81 -6.308 4.971 13.380 1.00 22.13 H new ATOM 0 HG23 VAL A 81 -4.581 5.387 13.481 1.00 22.13 H new ATOM 981 N GLU A 82 -4.892 0.713 11.313 1.00 11.30 N ATOM 982 CA GLU A 82 -4.727 -0.305 10.283 1.00 70.41 C ATOM 983 C GLU A 82 -5.866 -0.243 9.269 1.00 64.23 C ATOM 984 O GLU A 82 -7.037 -0.368 9.625 1.00 12.25 O ATOM 985 CB GLU A 82 -4.668 -1.697 10.916 1.00 75.44 C ATOM 986 CG GLU A 82 -4.674 -2.828 9.901 1.00 64.15 C ATOM 987 CD GLU A 82 -5.998 -3.566 9.856 1.00 42.44 C ATOM 988 OE1 GLU A 82 -6.630 -3.716 10.922 1.00 72.14 O ATOM 989 OE2 GLU A 82 -6.401 -3.992 8.753 1.00 34.13 O ATOM 0 H GLU A 82 -5.225 0.357 12.209 1.00 11.30 H new ATOM 0 HA GLU A 82 -3.789 -0.110 9.762 1.00 70.41 H new ATOM 0 HB2 GLU A 82 -3.767 -1.772 11.525 1.00 75.44 H new ATOM 0 HB3 GLU A 82 -5.518 -1.818 11.587 1.00 75.44 H new ATOM 0 HG2 GLU A 82 -4.453 -2.425 8.913 1.00 64.15 H new ATOM 0 HG3 GLU A 82 -3.878 -3.532 10.143 1.00 64.15 H new ATOM 996 N VAL A 83 -5.512 -0.049 8.002 1.00 11.11 N ATOM 997 CA VAL A 83 -6.503 0.030 6.935 1.00 22.43 C ATOM 998 C VAL A 83 -6.509 -1.244 6.097 1.00 55.43 C ATOM 999 O VAL A 83 -5.456 -1.794 5.776 1.00 63.03 O ATOM 1000 CB VAL A 83 -6.242 1.236 6.015 1.00 44.45 C ATOM 1001 CG1 VAL A 83 -7.460 1.522 5.150 1.00 12.32 C ATOM 1002 CG2 VAL A 83 -5.861 2.459 6.835 1.00 42.50 C ATOM 0 H VAL A 83 -4.547 0.056 7.690 1.00 11.11 H new ATOM 0 HA VAL A 83 -7.475 0.152 7.413 1.00 22.43 H new ATOM 0 HB VAL A 83 -5.408 0.994 5.356 1.00 44.45 H new ATOM 0 HG11 VAL A 83 -7.256 2.378 4.506 1.00 12.32 H new ATOM 0 HG12 VAL A 83 -7.682 0.650 4.535 1.00 12.32 H new ATOM 0 HG13 VAL A 83 -8.316 1.743 5.788 1.00 12.32 H new ATOM 0 HG21 VAL A 83 -5.680 3.302 6.168 1.00 42.50 H new ATOM 0 HG22 VAL A 83 -6.673 2.705 7.520 1.00 42.50 H new ATOM 0 HG23 VAL A 83 -4.957 2.247 7.406 1.00 42.50 H new ATOM 1012 N HIS A 84 -7.704 -1.707 5.744 1.00 74.10 N ATOM 1013 CA HIS A 84 -7.849 -2.916 4.941 1.00 62.02 C ATOM 1014 C HIS A 84 -7.700 -2.602 3.455 1.00 24.32 C ATOM 1015 O HIS A 84 -8.517 -1.885 2.876 1.00 20.41 O ATOM 1016 CB HIS A 84 -9.207 -3.568 5.202 1.00 23.23 C ATOM 1017 CG HIS A 84 -9.581 -3.611 6.652 1.00 55.12 C ATOM 1018 ND1 HIS A 84 -8.952 -4.427 7.568 1.00 11.32 N ATOM 1019 CD2 HIS A 84 -10.526 -2.931 7.342 1.00 14.23 C ATOM 1020 CE1 HIS A 84 -9.495 -4.248 8.759 1.00 2.13 C ATOM 1021 NE2 HIS A 84 -10.452 -3.345 8.650 1.00 54.25 N ATOM 0 H HIS A 84 -8.586 -1.263 6.001 1.00 74.10 H new ATOM 0 HA HIS A 84 -7.060 -3.610 5.229 1.00 62.02 H new ATOM 0 HB2 HIS A 84 -9.975 -3.022 4.653 1.00 23.23 H new ATOM 0 HB3 HIS A 84 -9.195 -4.584 4.808 1.00 23.23 H new ATOM 0 HD1 HIS A 84 -8.187 -5.069 7.359 1.00 11.32 H new ATOM 0 HD2 HIS A 84 -11.211 -2.199 6.939 1.00 14.23 H new ATOM 0 HE1 HIS A 84 -9.205 -4.754 9.668 1.00 2.13 H new ATOM 1029 N LEU A 85 -6.651 -3.143 2.844 1.00 52.51 N ATOM 1030 CA LEU A 85 -6.394 -2.920 1.425 1.00 11.23 C ATOM 1031 C LEU A 85 -6.262 -4.245 0.681 1.00 14.22 C ATOM 1032 O LEU A 85 -5.252 -4.938 0.802 1.00 73.23 O ATOM 1033 CB LEU A 85 -5.122 -2.090 1.241 1.00 13.04 C ATOM 1034 CG LEU A 85 -4.672 -1.275 2.454 1.00 5.21 C ATOM 1035 CD1 LEU A 85 -3.499 -0.378 2.088 1.00 21.15 C ATOM 1036 CD2 LEU A 85 -5.827 -0.449 3.001 1.00 42.12 C ATOM 0 H LEU A 85 -5.965 -3.739 3.308 1.00 52.51 H new ATOM 0 HA LEU A 85 -7.240 -2.373 1.009 1.00 11.23 H new ATOM 0 HB2 LEU A 85 -4.311 -2.762 0.959 1.00 13.04 H new ATOM 0 HB3 LEU A 85 -5.275 -1.407 0.406 1.00 13.04 H new ATOM 0 HG LEU A 85 -4.347 -1.966 3.232 1.00 5.21 H new ATOM 0 HD11 LEU A 85 -3.192 0.195 2.963 1.00 21.15 H new ATOM 0 HD12 LEU A 85 -2.666 -0.991 1.745 1.00 21.15 H new ATOM 0 HD13 LEU A 85 -3.798 0.306 1.294 1.00 21.15 H new ATOM 0 HD21 LEU A 85 -5.488 0.124 3.864 1.00 42.12 H new ATOM 0 HD22 LEU A 85 -6.184 0.233 2.229 1.00 42.12 H new ATOM 0 HD23 LEU A 85 -6.638 -1.112 3.302 1.00 42.12 H new ATOM 1048 N ASP A 86 -7.288 -4.589 -0.089 1.00 74.03 N ATOM 1049 CA ASP A 86 -7.286 -5.829 -0.856 1.00 73.42 C ATOM 1050 C ASP A 86 -7.872 -5.609 -2.247 1.00 74.13 C ATOM 1051 O ASP A 86 -8.939 -5.011 -2.395 1.00 25.51 O ATOM 1052 CB ASP A 86 -8.080 -6.910 -0.120 1.00 65.43 C ATOM 1053 CG ASP A 86 -7.501 -8.296 -0.329 1.00 21.02 C ATOM 1054 OD1 ASP A 86 -6.898 -8.533 -1.397 1.00 22.14 O ATOM 1055 OD2 ASP A 86 -7.650 -9.143 0.576 1.00 33.22 O ATOM 0 H ASP A 86 -8.132 -4.027 -0.199 1.00 74.03 H new ATOM 0 HA ASP A 86 -6.253 -6.158 -0.965 1.00 73.42 H new ATOM 0 HB2 ASP A 86 -8.096 -6.683 0.946 1.00 65.43 H new ATOM 0 HB3 ASP A 86 -9.114 -6.895 -0.465 1.00 65.43 H new ATOM 1060 N ARG A 87 -7.168 -6.095 -3.264 1.00 50.23 N ATOM 1061 CA ARG A 87 -7.617 -5.949 -4.644 1.00 13.14 C ATOM 1062 C ARG A 87 -8.965 -6.634 -4.852 1.00 22.03 C ATOM 1063 O ARG A 87 -9.461 -6.722 -5.975 1.00 64.22 O ATOM 1064 CB ARG A 87 -6.581 -6.535 -5.605 1.00 13.05 C ATOM 1065 CG ARG A 87 -6.453 -5.762 -6.907 1.00 21.10 C ATOM 1066 CD ARG A 87 -7.067 -6.525 -8.070 1.00 61.04 C ATOM 1067 NE ARG A 87 -7.086 -5.731 -9.296 1.00 72.42 N ATOM 1068 CZ ARG A 87 -7.417 -6.223 -10.485 1.00 23.20 C ATOM 1069 NH1 ARG A 87 -7.754 -7.500 -10.608 1.00 12.45 N ATOM 1070 NH2 ARG A 87 -7.411 -5.438 -11.554 1.00 44.34 N ATOM 0 H ARG A 87 -6.284 -6.593 -3.159 1.00 50.23 H new ATOM 0 HA ARG A 87 -7.733 -4.885 -4.851 1.00 13.14 H new ATOM 0 HB2 ARG A 87 -5.610 -6.559 -5.109 1.00 13.05 H new ATOM 0 HB3 ARG A 87 -6.849 -7.567 -5.830 1.00 13.05 H new ATOM 0 HG2 ARG A 87 -6.943 -4.794 -6.806 1.00 21.10 H new ATOM 0 HG3 ARG A 87 -5.401 -5.567 -7.114 1.00 21.10 H new ATOM 0 HD2 ARG A 87 -6.503 -7.442 -8.240 1.00 61.04 H new ATOM 0 HD3 ARG A 87 -8.084 -6.820 -7.813 1.00 61.04 H new ATOM 0 HE ARG A 87 -6.831 -4.745 -9.236 1.00 72.42 H new ATOM 0 HH11 ARG A 87 -7.760 -8.107 -9.788 1.00 12.45 H new ATOM 0 HH12 ARG A 87 -8.008 -7.875 -11.522 1.00 12.45 H new ATOM 0 HH21 ARG A 87 -7.152 -4.456 -11.464 1.00 44.34 H new ATOM 0 HH22 ARG A 87 -7.665 -5.817 -12.466 1.00 44.34 H new ATOM 1084 N ASP A 88 -9.551 -7.118 -3.762 1.00 52.43 N ATOM 1085 CA ASP A 88 -10.841 -7.794 -3.825 1.00 34.41 C ATOM 1086 C ASP A 88 -11.948 -6.819 -4.213 1.00 35.14 C ATOM 1087 O ASP A 88 -13.105 -7.209 -4.376 1.00 64.35 O ATOM 1088 CB ASP A 88 -11.166 -8.445 -2.479 1.00 41.12 C ATOM 1089 CG ASP A 88 -12.261 -9.487 -2.589 1.00 74.11 C ATOM 1090 OD1 ASP A 88 -12.750 -9.718 -3.715 1.00 71.31 O ATOM 1091 OD2 ASP A 88 -12.630 -10.072 -1.549 1.00 65.34 O ATOM 0 H ASP A 88 -9.153 -7.055 -2.825 1.00 52.43 H new ATOM 0 HA ASP A 88 -10.780 -8.569 -4.589 1.00 34.41 H new ATOM 0 HB2 ASP A 88 -10.266 -8.909 -2.077 1.00 41.12 H new ATOM 0 HB3 ASP A 88 -11.471 -7.675 -1.771 1.00 41.12 H new ATOM 1096 N PHE A 89 -11.587 -5.548 -4.357 1.00 21.54 N ATOM 1097 CA PHE A 89 -12.550 -4.516 -4.723 1.00 21.41 C ATOM 1098 C PHE A 89 -13.552 -4.283 -3.596 1.00 4.41 C ATOM 1099 O PHE A 89 -14.573 -3.622 -3.786 1.00 72.41 O ATOM 1100 CB PHE A 89 -13.289 -4.910 -6.004 1.00 3.03 C ATOM 1101 CG PHE A 89 -12.375 -5.345 -7.113 1.00 42.15 C ATOM 1102 CD1 PHE A 89 -11.849 -4.418 -7.999 1.00 74.14 C ATOM 1103 CD2 PHE A 89 -12.041 -6.680 -7.270 1.00 63.34 C ATOM 1104 CE1 PHE A 89 -11.009 -4.816 -9.022 1.00 2.12 C ATOM 1105 CE2 PHE A 89 -11.200 -7.084 -8.291 1.00 32.02 C ATOM 1106 CZ PHE A 89 -10.683 -6.150 -9.167 1.00 22.20 C ATOM 0 H PHE A 89 -10.634 -5.208 -4.226 1.00 21.54 H new ATOM 0 HA PHE A 89 -12.003 -3.589 -4.897 1.00 21.41 H new ATOM 0 HB2 PHE A 89 -13.984 -5.719 -5.779 1.00 3.03 H new ATOM 0 HB3 PHE A 89 -13.884 -4.063 -6.346 1.00 3.03 H new ATOM 0 HD1 PHE A 89 -12.098 -3.373 -7.889 1.00 74.14 H new ATOM 0 HD2 PHE A 89 -12.442 -7.414 -6.587 1.00 63.34 H new ATOM 0 HE1 PHE A 89 -10.608 -4.084 -9.707 1.00 2.12 H new ATOM 0 HE2 PHE A 89 -10.948 -8.128 -8.403 1.00 32.02 H new ATOM 0 HZ PHE A 89 -10.025 -6.462 -9.964 1.00 22.20 H new ATOM 1116 N ARG A 90 -13.251 -4.829 -2.422 1.00 71.24 N ATOM 1117 CA ARG A 90 -14.125 -4.682 -1.265 1.00 32.31 C ATOM 1118 C ARG A 90 -13.312 -4.434 0.002 1.00 32.23 C ATOM 1119 O ARG A 90 -13.864 -4.348 1.100 1.00 42.25 O ATOM 1120 CB ARG A 90 -14.992 -5.931 -1.091 1.00 65.25 C ATOM 1121 CG ARG A 90 -16.297 -5.879 -1.867 1.00 75.04 C ATOM 1122 CD ARG A 90 -17.191 -4.750 -1.379 1.00 32.05 C ATOM 1123 NE ARG A 90 -18.606 -5.107 -1.439 1.00 52.55 N ATOM 1124 CZ ARG A 90 -19.191 -5.940 -0.587 1.00 15.04 C ATOM 1125 NH1 ARG A 90 -18.487 -6.499 0.388 1.00 73.44 N ATOM 1126 NH2 ARG A 90 -20.484 -6.215 -0.707 1.00 40.11 N ATOM 0 H ARG A 90 -12.409 -5.377 -2.247 1.00 71.24 H new ATOM 0 HA ARG A 90 -14.771 -3.821 -1.437 1.00 32.31 H new ATOM 0 HB2 ARG A 90 -14.424 -6.805 -1.410 1.00 65.25 H new ATOM 0 HB3 ARG A 90 -15.214 -6.064 -0.032 1.00 65.25 H new ATOM 0 HG2 ARG A 90 -16.086 -5.744 -2.928 1.00 75.04 H new ATOM 0 HG3 ARG A 90 -16.821 -6.829 -1.764 1.00 75.04 H new ATOM 0 HD2 ARG A 90 -16.925 -4.494 -0.353 1.00 32.05 H new ATOM 0 HD3 ARG A 90 -17.015 -3.861 -1.985 1.00 32.05 H new ATOM 0 HE ARG A 90 -19.176 -4.693 -2.177 1.00 52.55 H new ATOM 0 HH11 ARG A 90 -17.493 -6.289 0.485 1.00 73.44 H new ATOM 0 HH12 ARG A 90 -18.939 -7.139 1.041 1.00 73.44 H new ATOM 0 HH21 ARG A 90 -21.029 -5.786 -1.455 1.00 40.11 H new ATOM 0 HH22 ARG A 90 -20.932 -6.855 -0.052 1.00 40.11 H new ATOM 1140 N VAL A 91 -11.997 -4.321 -0.157 1.00 14.10 N ATOM 1141 CA VAL A 91 -11.108 -4.082 0.974 1.00 71.25 C ATOM 1142 C VAL A 91 -10.379 -2.751 0.828 1.00 71.22 C ATOM 1143 O VAL A 91 -9.185 -2.714 0.529 1.00 23.31 O ATOM 1144 CB VAL A 91 -10.070 -5.211 1.119 1.00 43.52 C ATOM 1145 CG1 VAL A 91 -9.172 -4.959 2.321 1.00 74.10 C ATOM 1146 CG2 VAL A 91 -10.762 -6.560 1.233 1.00 35.01 C ATOM 0 H VAL A 91 -11.524 -4.391 -1.058 1.00 14.10 H new ATOM 0 HA VAL A 91 -11.732 -4.055 1.868 1.00 71.25 H new ATOM 0 HB VAL A 91 -9.446 -5.224 0.226 1.00 43.52 H new ATOM 0 HG11 VAL A 91 -8.445 -5.767 2.408 1.00 74.10 H new ATOM 0 HG12 VAL A 91 -8.648 -4.012 2.192 1.00 74.10 H new ATOM 0 HG13 VAL A 91 -9.778 -4.918 3.226 1.00 74.10 H new ATOM 0 HG21 VAL A 91 -10.013 -7.346 1.335 1.00 35.01 H new ATOM 0 HG22 VAL A 91 -11.412 -6.563 2.108 1.00 35.01 H new ATOM 0 HG23 VAL A 91 -11.358 -6.740 0.338 1.00 35.01 H new ATOM 1156 N LEU A 92 -11.105 -1.659 1.041 1.00 21.21 N ATOM 1157 CA LEU A 92 -10.527 -0.324 0.934 1.00 14.23 C ATOM 1158 C LEU A 92 -10.908 0.532 2.138 1.00 13.01 C ATOM 1159 O LEU A 92 -10.717 1.748 2.133 1.00 52.20 O ATOM 1160 CB LEU A 92 -10.994 0.353 -0.355 1.00 40.45 C ATOM 1161 CG LEU A 92 -11.431 -0.581 -1.484 1.00 61.11 C ATOM 1162 CD1 LEU A 92 -12.942 -0.753 -1.480 1.00 40.12 C ATOM 1163 CD2 LEU A 92 -10.956 -0.051 -2.829 1.00 71.23 C ATOM 0 H LEU A 92 -12.094 -1.672 1.289 1.00 21.21 H new ATOM 0 HA LEU A 92 -9.442 -0.425 0.912 1.00 14.23 H new ATOM 0 HB2 LEU A 92 -11.827 1.013 -0.114 1.00 40.45 H new ATOM 0 HB3 LEU A 92 -10.185 0.983 -0.724 1.00 40.45 H new ATOM 0 HG LEU A 92 -10.975 -1.557 -1.319 1.00 61.11 H new ATOM 0 HD11 LEU A 92 -13.234 -1.421 -2.290 1.00 40.12 H new ATOM 0 HD12 LEU A 92 -13.257 -1.179 -0.527 1.00 40.12 H new ATOM 0 HD13 LEU A 92 -13.419 0.217 -1.619 1.00 40.12 H new ATOM 0 HD21 LEU A 92 -11.276 -0.728 -3.621 1.00 71.23 H new ATOM 0 HD22 LEU A 92 -11.383 0.937 -3.002 1.00 71.23 H new ATOM 0 HD23 LEU A 92 -9.868 0.019 -2.829 1.00 71.23 H new ATOM 1175 N ASP A 93 -11.446 -0.111 3.168 1.00 22.54 N ATOM 1176 CA ASP A 93 -11.851 0.590 4.381 1.00 5.12 C ATOM 1177 C ASP A 93 -10.741 0.551 5.428 1.00 71.15 C ATOM 1178 O ASP A 93 -9.802 -0.238 5.323 1.00 25.44 O ATOM 1179 CB ASP A 93 -13.128 -0.028 4.951 1.00 12.01 C ATOM 1180 CG ASP A 93 -14.288 0.949 4.965 1.00 63.35 C ATOM 1181 OD1 ASP A 93 -14.044 2.156 5.169 1.00 45.03 O ATOM 1182 OD2 ASP A 93 -15.439 0.506 4.772 1.00 75.52 O ATOM 0 H ASP A 93 -11.612 -1.117 3.187 1.00 22.54 H new ATOM 0 HA ASP A 93 -12.045 1.631 4.122 1.00 5.12 H new ATOM 0 HB2 ASP A 93 -13.400 -0.902 4.360 1.00 12.01 H new ATOM 0 HB3 ASP A 93 -12.938 -0.376 5.966 1.00 12.01 H new ATOM 1187 N THR A 94 -10.855 1.409 6.436 1.00 14.14 N ATOM 1188 CA THR A 94 -9.862 1.475 7.501 1.00 63.55 C ATOM 1189 C THR A 94 -10.376 0.814 8.774 1.00 31.04 C ATOM 1190 O THR A 94 -11.557 0.487 8.881 1.00 74.33 O ATOM 1191 CB THR A 94 -9.469 2.931 7.813 1.00 23.35 C ATOM 1192 OG1 THR A 94 -8.478 2.959 8.847 1.00 50.40 O ATOM 1193 CG2 THR A 94 -10.683 3.738 8.246 1.00 54.02 C ATOM 0 H THR A 94 -11.626 2.069 6.538 1.00 14.14 H new ATOM 0 HA THR A 94 -8.982 0.938 7.147 1.00 63.55 H new ATOM 0 HB THR A 94 -9.061 3.377 6.906 1.00 23.35 H new ATOM 0 HG1 THR A 94 -8.665 3.701 9.459 1.00 50.40 H new ATOM 0 HG21 THR A 94 -10.381 4.763 8.461 1.00 54.02 H new ATOM 0 HG22 THR A 94 -11.424 3.738 7.446 1.00 54.02 H new ATOM 0 HG23 THR A 94 -11.116 3.292 9.141 1.00 54.02 H new ATOM 1201 N GLU A 95 -9.481 0.622 9.739 1.00 74.33 N ATOM 1202 CA GLU A 95 -9.847 0.000 11.006 1.00 63.41 C ATOM 1203 C GLU A 95 -9.024 0.578 12.153 1.00 24.03 C ATOM 1204 O GLU A 95 -7.793 0.576 12.130 1.00 3.12 O ATOM 1205 CB GLU A 95 -9.645 -1.515 10.932 1.00 35.54 C ATOM 1206 CG GLU A 95 -9.398 -2.163 12.285 1.00 43.24 C ATOM 1207 CD GLU A 95 -10.615 -2.112 13.188 1.00 43.24 C ATOM 1208 OE1 GLU A 95 -11.746 -2.100 12.659 1.00 11.45 O ATOM 1209 OE2 GLU A 95 -10.435 -2.084 14.423 1.00 20.23 O ATOM 0 H GLU A 95 -8.499 0.888 9.667 1.00 74.33 H new ATOM 0 HA GLU A 95 -10.900 0.211 11.195 1.00 63.41 H new ATOM 0 HB2 GLU A 95 -10.525 -1.969 10.477 1.00 35.54 H new ATOM 0 HB3 GLU A 95 -8.801 -1.729 10.276 1.00 35.54 H new ATOM 0 HG2 GLU A 95 -9.103 -3.202 12.137 1.00 43.24 H new ATOM 0 HG3 GLU A 95 -8.564 -1.662 12.777 1.00 43.24 H new ATOM 1216 N PRO A 96 -9.718 1.086 13.182 1.00 55.10 N ATOM 1217 CA PRO A 96 -9.073 1.677 14.358 1.00 53.51 C ATOM 1218 C PRO A 96 -8.371 0.634 15.220 1.00 33.02 C ATOM 1219 O PRO A 96 -8.983 -0.343 15.650 1.00 74.20 O ATOM 1220 CB PRO A 96 -10.240 2.307 15.124 1.00 62.15 C ATOM 1221 CG PRO A 96 -11.435 1.523 14.705 1.00 71.45 C ATOM 1222 CD PRO A 96 -11.188 1.122 13.277 1.00 64.25 C ATOM 0 HA PRO A 96 -8.294 2.387 14.081 1.00 53.51 H new ATOM 0 HB2 PRO A 96 -10.085 2.247 16.201 1.00 62.15 H new ATOM 0 HB3 PRO A 96 -10.352 3.363 14.876 1.00 62.15 H new ATOM 0 HG2 PRO A 96 -11.568 0.646 15.339 1.00 71.45 H new ATOM 0 HG3 PRO A 96 -12.343 2.120 14.791 1.00 71.45 H new ATOM 0 HD2 PRO A 96 -11.629 0.151 13.050 1.00 64.25 H new ATOM 0 HD3 PRO A 96 -11.618 1.839 12.578 1.00 64.25 H new ATOM 1230 N ALA A 97 -7.084 0.848 15.470 1.00 43.43 N ATOM 1231 CA ALA A 97 -6.299 -0.073 16.283 1.00 55.40 C ATOM 1232 C ALA A 97 -5.825 0.597 17.568 1.00 14.12 C ATOM 1233 O ALA A 97 -5.070 1.569 17.531 1.00 32.21 O ATOM 1234 CB ALA A 97 -5.112 -0.597 15.490 1.00 63.13 C ATOM 0 H ALA A 97 -6.562 1.652 15.121 1.00 43.43 H new ATOM 0 HA ALA A 97 -6.938 -0.913 16.556 1.00 55.40 H new ATOM 0 HB1 ALA A 97 -4.535 -1.283 16.110 1.00 63.13 H new ATOM 0 HB2 ALA A 97 -5.469 -1.121 14.604 1.00 63.13 H new ATOM 0 HB3 ALA A 97 -4.480 0.238 15.187 1.00 63.13 H new ATOM 1240 N ASP A 98 -6.274 0.072 18.703 1.00 3.43 N ATOM 1241 CA ASP A 98 -5.895 0.620 20.001 1.00 62.32 C ATOM 1242 C ASP A 98 -5.272 -0.457 20.884 1.00 60.11 C ATOM 1243 O ASP A 98 -5.613 -0.584 22.059 1.00 22.21 O ATOM 1244 CB ASP A 98 -7.113 1.227 20.698 1.00 75.51 C ATOM 1245 CG ASP A 98 -7.794 2.288 19.855 1.00 23.53 C ATOM 1246 OD1 ASP A 98 -7.116 2.883 18.992 1.00 14.41 O ATOM 1247 OD2 ASP A 98 -9.003 2.523 20.060 1.00 73.33 O ATOM 0 H ASP A 98 -6.900 -0.732 18.751 1.00 3.43 H new ATOM 0 HA ASP A 98 -5.154 1.402 19.835 1.00 62.32 H new ATOM 0 HB2 ASP A 98 -7.827 0.437 20.929 1.00 75.51 H new ATOM 0 HB3 ASP A 98 -6.804 1.664 21.647 1.00 75.51 H new ATOM 1252 N GLY A 99 -4.357 -1.232 20.308 1.00 11.52 N ATOM 1253 CA GLY A 99 -3.702 -2.288 21.057 1.00 33.20 C ATOM 1254 C GLY A 99 -4.584 -3.509 21.228 1.00 21.34 C ATOM 1255 O GLY A 99 -4.097 -4.596 21.541 1.00 41.02 O ATOM 0 H GLY A 99 -4.058 -1.147 19.336 1.00 11.52 H new ATOM 0 HA2 GLY A 99 -2.783 -2.576 20.546 1.00 33.20 H new ATOM 0 HA3 GLY A 99 -3.416 -1.910 22.038 1.00 33.20 H new ATOM 1259 N ASP A 100 -5.885 -3.331 21.025 1.00 25.03 N ATOM 1260 CA ASP A 100 -6.837 -4.427 21.160 1.00 63.41 C ATOM 1261 C ASP A 100 -7.103 -5.084 19.809 1.00 34.31 C ATOM 1262 O ASP A 100 -6.917 -6.289 19.646 1.00 72.31 O ATOM 1263 CB ASP A 100 -8.148 -3.921 21.763 1.00 71.14 C ATOM 1264 CG ASP A 100 -7.924 -2.912 22.872 1.00 71.14 C ATOM 1265 OD1 ASP A 100 -7.185 -3.233 23.825 1.00 64.40 O ATOM 1266 OD2 ASP A 100 -8.489 -1.801 22.787 1.00 60.33 O ATOM 0 H ASP A 100 -6.304 -2.438 20.766 1.00 25.03 H new ATOM 0 HA ASP A 100 -6.404 -5.172 21.827 1.00 63.41 H new ATOM 0 HB2 ASP A 100 -8.753 -3.466 20.979 1.00 71.14 H new ATOM 0 HB3 ASP A 100 -8.715 -4.766 22.154 1.00 71.14 H new ATOM 1271 N GLY A 101 -7.542 -4.283 18.843 1.00 12.21 N ATOM 1272 CA GLY A 101 -7.829 -4.804 17.519 1.00 23.45 C ATOM 1273 C GLY A 101 -9.239 -5.347 17.403 1.00 54.31 C ATOM 1274 O GLY A 101 -9.522 -6.181 16.544 1.00 13.21 O ATOM 0 H GLY A 101 -7.704 -3.282 18.954 1.00 12.21 H new ATOM 0 HA2 GLY A 101 -7.685 -4.014 16.782 1.00 23.45 H new ATOM 0 HA3 GLY A 101 -7.118 -5.595 17.281 1.00 23.45 H new ATOM 1278 N GLY A 102 -10.128 -4.873 18.271 1.00 2.33 N ATOM 1279 CA GLY A 102 -11.506 -5.328 18.246 1.00 25.12 C ATOM 1280 C GLY A 102 -12.233 -5.048 19.546 1.00 4.24 C ATOM 1281 O GLY A 102 -11.619 -5.011 20.613 1.00 40.52 O ATOM 0 H GLY A 102 -9.918 -4.182 18.991 1.00 2.33 H new ATOM 0 HA2 GLY A 102 -12.032 -4.838 17.426 1.00 25.12 H new ATOM 0 HA3 GLY A 102 -11.528 -6.399 18.044 1.00 25.12 H new