USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 THR OG1 : rot 107:sc= 2.1 USER MOD Set 1.2: A 69 TYR OH : rot 165:sc= 0.0714 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 -52:sc= 0.595 USER MOD Single : A 19 ASN : amide:sc= -0.543 K(o=-0.54,f=-5.7!) USER MOD Single : A 21 TYR OH : rot -37:sc= 0.895 USER MOD Single : A 23 GLN :FLIP amide:sc= -2.87! C(o=-4.2!,f=-2.9!) USER MOD Single : A 26 MET CE :methyl 156:sc= -0.11 (180deg=-0.638) USER MOD Single : A 35 THR OG1 : rot 150:sc= -3.21! USER MOD Single : A 48 GLN : amide:sc= -0.0907 K(o=-0.091,f=-1.1) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 62 THR OG1 : rot 35:sc= 0.289 USER MOD Single : A 74 THR OG1 : rot -40:sc= -3.39! USER MOD Single : A 79 THR OG1 : rot 7:sc= 1.09 USER MOD Single : A 84 HIS : no HE2:sc= -6.5! C(o=-6.5!,f=-10!) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.49 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 -2.022 -0.269 -0.608 1.00 23.34 N ATOM 2 CA ASP A 11 -1.750 0.455 -1.844 1.00 75.31 C ATOM 3 C ASP A 11 -1.255 -0.493 -2.931 1.00 62.45 C ATOM 4 O ASP A 11 -1.137 -0.111 -4.096 1.00 71.40 O ATOM 5 CB ASP A 11 -0.717 1.555 -1.600 1.00 2.24 C ATOM 6 CG ASP A 11 0.646 1.206 -2.165 1.00 32.51 C ATOM 7 OD1 ASP A 11 1.228 0.193 -1.724 1.00 64.12 O ATOM 8 OD2 ASP A 11 1.130 1.945 -3.047 1.00 40.04 O ATOM 0 HA ASP A 11 -2.681 0.911 -2.181 1.00 75.31 H new ATOM 0 HB2 ASP A 11 -1.067 2.484 -2.051 1.00 2.24 H new ATOM 0 HB3 ASP A 11 -0.628 1.734 -0.529 1.00 2.24 H new ATOM 13 N TYR A 12 -0.965 -1.730 -2.543 1.00 62.24 N ATOM 14 CA TYR A 12 -0.478 -2.732 -3.484 1.00 72.22 C ATOM 15 C TYR A 12 -1.558 -3.097 -4.498 1.00 60.04 C ATOM 16 O TYR A 12 -1.328 -3.059 -5.707 1.00 53.04 O ATOM 17 CB TYR A 12 -0.021 -3.986 -2.736 1.00 14.41 C ATOM 18 CG TYR A 12 1.150 -3.745 -1.811 1.00 65.42 C ATOM 19 CD1 TYR A 12 2.425 -3.519 -2.317 1.00 72.42 C ATOM 20 CD2 TYR A 12 0.984 -3.745 -0.432 1.00 30.31 C ATOM 21 CE1 TYR A 12 3.499 -3.300 -1.476 1.00 73.12 C ATOM 22 CE2 TYR A 12 2.052 -3.525 0.417 1.00 72.45 C ATOM 23 CZ TYR A 12 3.307 -3.304 -0.110 1.00 40.53 C ATOM 24 OH TYR A 12 4.374 -3.086 0.731 1.00 15.55 O ATOM 0 H TYR A 12 -1.059 -2.063 -1.583 1.00 62.24 H new ATOM 0 HA TYR A 12 0.371 -2.307 -4.020 1.00 72.22 H new ATOM 0 HB2 TYR A 12 -0.857 -4.378 -2.156 1.00 14.41 H new ATOM 0 HB3 TYR A 12 0.251 -4.753 -3.461 1.00 14.41 H new ATOM 0 HD1 TYR A 12 2.579 -3.515 -3.386 1.00 72.42 H new ATOM 0 HD2 TYR A 12 0.003 -3.920 -0.016 1.00 30.31 H new ATOM 0 HE1 TYR A 12 4.483 -3.127 -1.886 1.00 73.12 H new ATOM 0 HE2 TYR A 12 1.905 -3.526 1.487 1.00 72.45 H new ATOM 0 HH TYR A 12 4.069 -3.120 1.662 1.00 15.55 H new ATOM 34 N ASP A 13 -2.736 -3.450 -3.997 1.00 13.22 N ATOM 35 CA ASP A 13 -3.854 -3.820 -4.857 1.00 61.14 C ATOM 36 C ASP A 13 -4.203 -2.684 -5.814 1.00 63.10 C ATOM 37 O ASP A 13 -3.575 -2.527 -6.862 1.00 31.42 O ATOM 38 CB ASP A 13 -5.076 -4.186 -4.014 1.00 22.25 C ATOM 39 CG ASP A 13 -4.947 -5.553 -3.370 1.00 4.31 C ATOM 40 OD1 ASP A 13 -4.241 -6.412 -3.939 1.00 32.54 O ATOM 41 OD2 ASP A 13 -5.550 -5.762 -2.297 1.00 71.32 O ATOM 0 H ASP A 13 -2.942 -3.488 -2.999 1.00 13.22 H new ATOM 0 HA ASP A 13 -3.555 -4.688 -5.445 1.00 61.14 H new ATOM 0 HB2 ASP A 13 -5.217 -3.434 -3.238 1.00 22.25 H new ATOM 0 HB3 ASP A 13 -5.966 -4.166 -4.642 1.00 22.25 H new ATOM 46 N ILE A 14 -5.207 -1.896 -5.447 1.00 12.32 N ATOM 47 CA ILE A 14 -5.639 -0.775 -6.272 1.00 40.24 C ATOM 48 C ILE A 14 -5.109 0.547 -5.726 1.00 65.54 C ATOM 49 O ILE A 14 -5.590 1.069 -4.721 1.00 40.41 O ATOM 50 CB ILE A 14 -7.175 -0.701 -6.363 1.00 4.45 C ATOM 51 CG1 ILE A 14 -7.698 -1.721 -7.375 1.00 62.40 C ATOM 52 CG2 ILE A 14 -7.616 0.705 -6.743 1.00 64.11 C ATOM 53 CD1 ILE A 14 -9.191 -1.945 -7.290 1.00 74.54 C ATOM 0 H ILE A 14 -5.737 -2.013 -4.583 1.00 12.32 H new ATOM 0 HA ILE A 14 -5.232 -0.943 -7.269 1.00 40.24 H new ATOM 0 HB ILE A 14 -7.594 -0.940 -5.386 1.00 4.45 H new ATOM 0 HG12 ILE A 14 -7.446 -1.385 -8.381 1.00 62.40 H new ATOM 0 HG13 ILE A 14 -7.187 -2.671 -7.219 1.00 62.40 H new ATOM 0 HG21 ILE A 14 -8.704 0.741 -6.803 1.00 64.11 H new ATOM 0 HG22 ILE A 14 -7.271 1.411 -5.988 1.00 64.11 H new ATOM 0 HG23 ILE A 14 -7.190 0.971 -7.710 1.00 64.11 H new ATOM 0 HD11 ILE A 14 -9.492 -2.680 -8.036 1.00 74.54 H new ATOM 0 HD12 ILE A 14 -9.448 -2.311 -6.296 1.00 74.54 H new ATOM 0 HD13 ILE A 14 -9.711 -1.005 -7.476 1.00 74.54 H new ATOM 65 N PRO A 15 -4.093 1.102 -6.404 1.00 72.04 N ATOM 66 CA PRO A 15 -3.476 2.371 -6.007 1.00 54.11 C ATOM 67 C PRO A 15 -4.404 3.561 -6.229 1.00 31.25 C ATOM 68 O PRO A 15 -3.953 4.702 -6.335 1.00 15.13 O ATOM 69 CB PRO A 15 -2.251 2.471 -6.920 1.00 14.05 C ATOM 70 CG PRO A 15 -2.602 1.654 -8.115 1.00 41.21 C ATOM 71 CD PRO A 15 -3.469 0.534 -7.611 1.00 55.14 C ATOM 0 HA PRO A 15 -3.235 2.392 -4.944 1.00 54.11 H new ATOM 0 HB2 PRO A 15 -2.045 3.506 -7.194 1.00 14.05 H new ATOM 0 HB3 PRO A 15 -1.357 2.088 -6.427 1.00 14.05 H new ATOM 0 HG2 PRO A 15 -3.131 2.254 -8.856 1.00 41.21 H new ATOM 0 HG3 PRO A 15 -1.706 1.266 -8.599 1.00 41.21 H new ATOM 0 HD2 PRO A 15 -4.215 0.240 -8.349 1.00 55.14 H new ATOM 0 HD3 PRO A 15 -2.883 -0.355 -7.380 1.00 55.14 H new ATOM 79 N THR A 16 -5.703 3.288 -6.297 1.00 74.31 N ATOM 80 CA THR A 16 -6.695 4.335 -6.507 1.00 4.44 C ATOM 81 C THR A 16 -7.743 4.329 -5.400 1.00 54.14 C ATOM 82 O THR A 16 -8.820 4.909 -5.547 1.00 72.44 O ATOM 83 CB THR A 16 -7.399 4.178 -7.867 1.00 51.33 C ATOM 84 OG1 THR A 16 -6.467 3.716 -8.851 1.00 71.20 O ATOM 85 CG2 THR A 16 -8.006 5.498 -8.318 1.00 14.32 C ATOM 0 H THR A 16 -6.093 2.350 -6.210 1.00 74.31 H new ATOM 0 HA THR A 16 -6.160 5.285 -6.492 1.00 4.44 H new ATOM 0 HB THR A 16 -8.200 3.447 -7.754 1.00 51.33 H new ATOM 0 HG1 THR A 16 -6.923 3.617 -9.713 1.00 71.20 H new ATOM 0 HG21 THR A 16 -8.498 5.362 -9.281 1.00 14.32 H new ATOM 0 HG22 THR A 16 -8.736 5.833 -7.582 1.00 14.32 H new ATOM 0 HG23 THR A 16 -7.219 6.246 -8.415 1.00 14.32 H new ATOM 93 N THR A 17 -7.423 3.671 -4.291 1.00 21.52 N ATOM 94 CA THR A 17 -8.338 3.589 -3.159 1.00 62.54 C ATOM 95 C THR A 17 -8.363 4.896 -2.376 1.00 44.35 C ATOM 96 O THR A 17 -7.966 5.943 -2.887 1.00 55.15 O ATOM 97 CB THR A 17 -7.952 2.441 -2.207 1.00 74.43 C ATOM 98 OG1 THR A 17 -6.810 1.744 -2.717 1.00 61.01 O ATOM 99 CG2 THR A 17 -9.110 1.469 -2.035 1.00 20.21 C ATOM 0 H THR A 17 -6.536 3.186 -4.152 1.00 21.52 H new ATOM 0 HA THR A 17 -9.330 3.395 -3.568 1.00 62.54 H new ATOM 0 HB THR A 17 -7.710 2.870 -1.235 1.00 74.43 H new ATOM 0 HG1 THR A 17 -6.975 1.482 -3.647 1.00 61.01 H new ATOM 0 HG21 THR A 17 -8.814 0.667 -1.359 1.00 20.21 H new ATOM 0 HG22 THR A 17 -9.969 1.996 -1.619 1.00 20.21 H new ATOM 0 HG23 THR A 17 -9.378 1.047 -3.004 1.00 20.21 H new ATOM 107 N GLU A 18 -8.830 4.828 -1.134 1.00 21.02 N ATOM 108 CA GLU A 18 -8.906 6.008 -0.281 1.00 2.40 C ATOM 109 C GLU A 18 -7.519 6.601 -0.047 1.00 70.24 C ATOM 110 O GLU A 18 -6.916 7.172 -0.955 1.00 1.24 O ATOM 111 CB GLU A 18 -9.554 5.656 1.059 1.00 31.34 C ATOM 112 CG GLU A 18 -11.038 5.346 0.955 1.00 51.40 C ATOM 113 CD GLU A 18 -11.888 6.597 0.840 1.00 60.13 C ATOM 114 OE1 GLU A 18 -12.244 7.172 1.889 1.00 31.24 O ATOM 115 OE2 GLU A 18 -12.197 7.000 -0.301 1.00 43.52 O ATOM 0 H GLU A 18 -9.161 3.969 -0.696 1.00 21.02 H new ATOM 0 HA GLU A 18 -9.520 6.752 -0.789 1.00 2.40 H new ATOM 0 HB2 GLU A 18 -9.041 4.795 1.486 1.00 31.34 H new ATOM 0 HB3 GLU A 18 -9.413 6.486 1.751 1.00 31.34 H new ATOM 0 HG2 GLU A 18 -11.213 4.711 0.086 1.00 51.40 H new ATOM 0 HG3 GLU A 18 -11.349 4.779 1.832 1.00 51.40 H new ATOM 122 N ASN A 19 -7.020 6.460 1.177 1.00 54.14 N ATOM 123 CA ASN A 19 -5.705 6.982 1.531 1.00 55.02 C ATOM 124 C ASN A 19 -4.645 5.888 1.448 1.00 75.12 C ATOM 125 O ASN A 19 -3.515 6.068 1.902 1.00 22.21 O ATOM 126 CB ASN A 19 -5.732 7.576 2.941 1.00 74.33 C ATOM 127 CG ASN A 19 -5.705 9.092 2.930 1.00 21.13 C ATOM 128 OD1 ASN A 19 -4.710 9.703 2.539 1.00 14.13 O ATOM 129 ND2 ASN A 19 -6.800 9.706 3.362 1.00 54.35 N ATOM 0 H ASN A 19 -7.506 5.989 1.940 1.00 54.14 H new ATOM 0 HA ASN A 19 -5.449 7.766 0.818 1.00 55.02 H new ATOM 0 HB2 ASN A 19 -6.628 7.235 3.459 1.00 74.33 H new ATOM 0 HB3 ASN A 19 -4.877 7.204 3.505 1.00 74.33 H new ATOM 0 HD21 ASN A 19 -6.840 10.725 3.379 1.00 54.35 H new ATOM 0 HD22 ASN A 19 -7.601 9.159 3.677 1.00 54.35 H new ATOM 136 N LEU A 20 -5.018 4.754 0.864 1.00 10.23 N ATOM 137 CA LEU A 20 -4.099 3.630 0.720 1.00 35.04 C ATOM 138 C LEU A 20 -2.900 4.014 -0.140 1.00 23.32 C ATOM 139 O LEU A 20 -1.783 3.551 0.093 1.00 43.00 O ATOM 140 CB LEU A 20 -4.822 2.432 0.103 1.00 61.55 C ATOM 141 CG LEU A 20 -5.601 1.544 1.074 1.00 54.14 C ATOM 142 CD1 LEU A 20 -6.055 2.346 2.283 1.00 11.42 C ATOM 143 CD2 LEU A 20 -6.795 0.909 0.375 1.00 65.52 C ATOM 0 H LEU A 20 -5.950 4.589 0.483 1.00 10.23 H new ATOM 0 HA LEU A 20 -3.738 3.357 1.712 1.00 35.04 H new ATOM 0 HB2 LEU A 20 -5.513 2.801 -0.654 1.00 61.55 H new ATOM 0 HB3 LEU A 20 -4.086 1.815 -0.411 1.00 61.55 H new ATOM 0 HG LEU A 20 -4.941 0.748 1.418 1.00 54.14 H new ATOM 0 HD11 LEU A 20 -6.608 1.698 2.963 1.00 11.42 H new ATOM 0 HD12 LEU A 20 -5.184 2.753 2.797 1.00 11.42 H new ATOM 0 HD13 LEU A 20 -6.699 3.163 1.957 1.00 11.42 H new ATOM 0 HD21 LEU A 20 -7.338 0.280 1.081 1.00 65.52 H new ATOM 0 HD22 LEU A 20 -7.457 1.691 0.002 1.00 65.52 H new ATOM 0 HD23 LEU A 20 -6.447 0.300 -0.459 1.00 65.52 H new ATOM 155 N TYR A 21 -3.138 4.863 -1.133 1.00 1.44 N ATOM 156 CA TYR A 21 -2.077 5.310 -2.028 1.00 31.32 C ATOM 157 C TYR A 21 -1.348 6.518 -1.449 1.00 23.05 C ATOM 158 O TYR A 21 -0.514 7.132 -2.114 1.00 43.20 O ATOM 159 CB TYR A 21 -2.653 5.658 -3.401 1.00 70.14 C ATOM 160 CG TYR A 21 -3.440 6.949 -3.419 1.00 4.15 C ATOM 161 CD1 TYR A 21 -2.801 8.172 -3.584 1.00 0.15 C ATOM 162 CD2 TYR A 21 -4.821 6.946 -3.269 1.00 2.42 C ATOM 163 CE1 TYR A 21 -3.515 9.355 -3.599 1.00 73.52 C ATOM 164 CE2 TYR A 21 -5.543 8.124 -3.285 1.00 33.33 C ATOM 165 CZ TYR A 21 -4.886 9.325 -3.450 1.00 11.11 C ATOM 166 OH TYR A 21 -5.602 10.500 -3.465 1.00 11.12 O ATOM 0 H TYR A 21 -4.057 5.256 -1.339 1.00 1.44 H new ATOM 0 HA TYR A 21 -1.361 4.495 -2.137 1.00 31.32 H new ATOM 0 HB2 TYR A 21 -1.837 5.730 -4.120 1.00 70.14 H new ATOM 0 HB3 TYR A 21 -3.299 4.844 -3.732 1.00 70.14 H new ATOM 0 HD1 TYR A 21 -1.728 8.198 -3.703 1.00 0.15 H new ATOM 0 HD2 TYR A 21 -5.339 6.007 -3.138 1.00 2.42 H new ATOM 0 HE1 TYR A 21 -3.003 10.297 -3.727 1.00 73.52 H new ATOM 0 HE2 TYR A 21 -6.617 8.104 -3.169 1.00 33.33 H new ATOM 0 HH TYR A 21 -5.089 11.202 -3.012 1.00 11.12 H new ATOM 176 N PHE A 22 -1.668 6.853 -0.203 1.00 70.01 N ATOM 177 CA PHE A 22 -1.045 7.988 0.468 1.00 65.32 C ATOM 178 C PHE A 22 -0.085 7.516 1.557 1.00 71.15 C ATOM 179 O PHE A 22 0.973 8.109 1.765 1.00 53.21 O ATOM 180 CB PHE A 22 -2.114 8.899 1.074 1.00 5.12 C ATOM 181 CG PHE A 22 -2.499 10.046 0.184 1.00 71.31 C ATOM 182 CD1 PHE A 22 -1.544 10.945 -0.263 1.00 32.31 C ATOM 183 CD2 PHE A 22 -3.817 10.225 -0.206 1.00 23.23 C ATOM 184 CE1 PHE A 22 -1.896 12.001 -1.083 1.00 25.34 C ATOM 185 CE2 PHE A 22 -4.174 11.279 -1.026 1.00 22.45 C ATOM 186 CZ PHE A 22 -3.212 12.168 -1.463 1.00 54.35 C ATOM 0 H PHE A 22 -2.355 6.354 0.362 1.00 70.01 H new ATOM 0 HA PHE A 22 -0.477 8.550 -0.274 1.00 65.32 H new ATOM 0 HB2 PHE A 22 -3.002 8.307 1.295 1.00 5.12 H new ATOM 0 HB3 PHE A 22 -1.749 9.292 2.023 1.00 5.12 H new ATOM 0 HD1 PHE A 22 -0.513 10.819 0.033 1.00 32.31 H new ATOM 0 HD2 PHE A 22 -4.573 9.533 0.135 1.00 23.23 H new ATOM 0 HE1 PHE A 22 -1.142 12.694 -1.426 1.00 25.34 H new ATOM 0 HE2 PHE A 22 -5.204 11.407 -1.324 1.00 22.45 H new ATOM 0 HZ PHE A 22 -3.489 12.993 -2.102 1.00 54.35 H new ATOM 196 N GLN A 23 -0.464 6.445 2.247 1.00 1.43 N ATOM 197 CA GLN A 23 0.362 5.895 3.315 1.00 31.44 C ATOM 198 C GLN A 23 1.652 5.303 2.756 1.00 35.23 C ATOM 199 O GLN A 23 2.736 5.536 3.289 1.00 14.31 O ATOM 200 CB GLN A 23 -0.412 4.824 4.087 1.00 51.14 C ATOM 201 CG GLN A 23 -1.738 5.316 4.645 1.00 22.41 C ATOM 202 CD GLN A 23 -1.631 6.688 5.280 1.00 43.23 C ATOM 203 OE1 GLN A 23 -0.781 6.807 6.293 1.00 53.42 O flip ATOM 204 NE2 GLN A 23 -2.304 7.631 4.864 1.00 12.44 N flip ATOM 0 H GLN A 23 -1.336 5.942 2.086 1.00 1.43 H new ATOM 0 HA GLN A 23 0.621 6.707 3.994 1.00 31.44 H new ATOM 0 HB2 GLN A 23 -0.597 3.975 3.428 1.00 51.14 H new ATOM 0 HB3 GLN A 23 0.206 4.462 4.908 1.00 51.14 H new ATOM 0 HG2 GLN A 23 -2.476 5.347 3.843 1.00 22.41 H new ATOM 0 HG3 GLN A 23 -2.102 4.604 5.386 1.00 22.41 H new ATOM 0 HE21 GLN A 23 -2.945 7.494 4.083 1.00 12.44 H new ATOM 0 HE22 GLN A 23 -2.221 8.549 5.301 1.00 12.44 H new ATOM 213 N GLY A 24 1.526 4.535 1.678 1.00 30.43 N ATOM 214 CA GLY A 24 2.689 3.921 1.065 1.00 23.32 C ATOM 215 C GLY A 24 3.858 4.880 0.950 1.00 73.42 C ATOM 216 O GLY A 24 5.016 4.466 1.000 1.00 13.45 O ATOM 0 H GLY A 24 0.639 4.327 1.218 1.00 30.43 H new ATOM 0 HA2 GLY A 24 2.991 3.054 1.653 1.00 23.32 H new ATOM 0 HA3 GLY A 24 2.423 3.556 0.073 1.00 23.32 H new ATOM 220 N ALA A 25 3.554 6.164 0.793 1.00 71.24 N ATOM 221 CA ALA A 25 4.588 7.184 0.670 1.00 72.12 C ATOM 222 C ALA A 25 5.527 7.161 1.871 1.00 64.53 C ATOM 223 O ALA A 25 6.674 6.727 1.765 1.00 61.32 O ATOM 224 CB ALA A 25 3.956 8.560 0.518 1.00 23.20 C ATOM 0 H ALA A 25 2.600 6.523 0.748 1.00 71.24 H new ATOM 0 HA ALA A 25 5.176 6.965 -0.222 1.00 72.12 H new ATOM 0 HB1 ALA A 25 4.740 9.312 0.427 1.00 23.20 H new ATOM 0 HB2 ALA A 25 3.331 8.577 -0.375 1.00 23.20 H new ATOM 0 HB3 ALA A 25 3.344 8.778 1.393 1.00 23.20 H new ATOM 230 N MET A 26 5.034 7.631 3.012 1.00 72.44 N ATOM 231 CA MET A 26 5.830 7.663 4.233 1.00 63.33 C ATOM 232 C MET A 26 6.202 6.251 4.677 1.00 54.42 C ATOM 233 O MET A 26 6.929 6.069 5.652 1.00 4.12 O ATOM 234 CB MET A 26 5.064 8.376 5.348 1.00 1.03 C ATOM 235 CG MET A 26 3.724 7.736 5.670 1.00 34.33 C ATOM 236 SD MET A 26 2.632 8.835 6.593 1.00 5.32 S ATOM 237 CE MET A 26 2.266 10.071 5.349 1.00 21.14 C ATOM 0 H MET A 26 4.087 7.995 3.116 1.00 72.44 H new ATOM 0 HA MET A 26 6.748 8.213 4.024 1.00 63.33 H new ATOM 0 HB2 MET A 26 5.677 8.388 6.249 1.00 1.03 H new ATOM 0 HB3 MET A 26 4.901 9.414 5.059 1.00 1.03 H new ATOM 0 HG2 MET A 26 3.235 7.440 4.742 1.00 34.33 H new ATOM 0 HG3 MET A 26 3.890 6.826 6.247 1.00 34.33 H new ATOM 0 HE1 MET A 26 1.319 10.557 5.586 1.00 21.14 H new ATOM 0 HE2 MET A 26 3.062 10.816 5.331 1.00 21.14 H new ATOM 0 HE3 MET A 26 2.194 9.594 4.372 1.00 21.14 H new ATOM 247 N ALA A 27 5.696 5.256 3.955 1.00 44.50 N ATOM 248 CA ALA A 27 5.977 3.862 4.274 1.00 13.11 C ATOM 249 C ALA A 27 7.457 3.545 4.095 1.00 64.12 C ATOM 250 O ALA A 27 7.991 2.641 4.738 1.00 4.23 O ATOM 251 CB ALA A 27 5.129 2.942 3.408 1.00 21.23 C ATOM 0 H ALA A 27 5.090 5.390 3.146 1.00 44.50 H new ATOM 0 HA ALA A 27 5.722 3.696 5.321 1.00 13.11 H new ATOM 0 HB1 ALA A 27 5.349 1.904 3.656 1.00 21.23 H new ATOM 0 HB2 ALA A 27 4.073 3.143 3.589 1.00 21.23 H new ATOM 0 HB3 ALA A 27 5.357 3.120 2.357 1.00 21.23 H new ATOM 257 N PHE A 28 8.116 4.293 3.216 1.00 51.30 N ATOM 258 CA PHE A 28 9.535 4.090 2.951 1.00 44.33 C ATOM 259 C PHE A 28 10.391 4.801 3.996 1.00 70.44 C ATOM 260 O PHE A 28 11.612 4.880 3.863 1.00 4.45 O ATOM 261 CB PHE A 28 9.892 4.598 1.552 1.00 3.12 C ATOM 262 CG PHE A 28 9.407 5.993 1.279 1.00 73.11 C ATOM 263 CD1 PHE A 28 9.505 6.977 2.249 1.00 42.41 C ATOM 264 CD2 PHE A 28 8.852 6.320 0.052 1.00 63.31 C ATOM 265 CE1 PHE A 28 9.058 8.261 2.000 1.00 4.41 C ATOM 266 CE2 PHE A 28 8.404 7.602 -0.203 1.00 1.22 C ATOM 267 CZ PHE A 28 8.508 8.575 0.772 1.00 23.54 C ATOM 0 H PHE A 28 7.690 5.045 2.675 1.00 51.30 H new ATOM 0 HA PHE A 28 9.740 3.021 3.005 1.00 44.33 H new ATOM 0 HB2 PHE A 28 10.975 4.568 1.428 1.00 3.12 H new ATOM 0 HB3 PHE A 28 9.467 3.922 0.809 1.00 3.12 H new ATOM 0 HD1 PHE A 28 9.935 6.738 3.210 1.00 42.41 H new ATOM 0 HD2 PHE A 28 8.769 5.564 -0.714 1.00 63.31 H new ATOM 0 HE1 PHE A 28 9.139 9.019 2.765 1.00 4.41 H new ATOM 0 HE2 PHE A 28 7.973 7.843 -1.164 1.00 1.22 H new ATOM 0 HZ PHE A 28 8.160 9.578 0.575 1.00 23.54 H new ATOM 277 N ASP A 29 9.741 5.315 5.033 1.00 15.23 N ATOM 278 CA ASP A 29 10.440 6.019 6.102 1.00 63.21 C ATOM 279 C ASP A 29 10.859 5.052 7.205 1.00 5.43 C ATOM 280 O ASP A 29 12.021 4.655 7.288 1.00 33.31 O ATOM 281 CB ASP A 29 9.553 7.121 6.682 1.00 0.12 C ATOM 282 CG ASP A 29 9.228 8.198 5.666 1.00 45.21 C ATOM 283 OD1 ASP A 29 10.070 8.450 4.778 1.00 22.30 O ATOM 284 OD2 ASP A 29 8.132 8.789 5.758 1.00 44.12 O ATOM 0 H ASP A 29 8.730 5.258 5.157 1.00 15.23 H new ATOM 0 HA ASP A 29 11.337 6.472 5.680 1.00 63.21 H new ATOM 0 HB2 ASP A 29 8.626 6.681 7.050 1.00 0.12 H new ATOM 0 HB3 ASP A 29 10.053 7.573 7.539 1.00 0.12 H new ATOM 289 N GLY A 30 9.905 4.679 8.052 1.00 11.14 N ATOM 290 CA GLY A 30 10.195 3.763 9.140 1.00 1.43 C ATOM 291 C GLY A 30 9.144 2.681 9.283 1.00 34.01 C ATOM 292 O GLY A 30 9.287 1.772 10.100 1.00 62.02 O ATOM 0 H GLY A 30 8.936 4.995 8.004 1.00 11.14 H new ATOM 0 HA2 GLY A 30 11.168 3.300 8.972 1.00 1.43 H new ATOM 0 HA3 GLY A 30 10.265 4.322 10.073 1.00 1.43 H new ATOM 296 N GLU A 31 8.083 2.780 8.488 1.00 60.44 N ATOM 297 CA GLU A 31 7.002 1.802 8.532 1.00 63.31 C ATOM 298 C GLU A 31 7.509 0.413 8.154 1.00 63.04 C ATOM 299 O GLU A 31 7.773 0.134 6.984 1.00 44.32 O ATOM 300 CB GLU A 31 5.870 2.217 7.591 1.00 52.15 C ATOM 301 CG GLU A 31 5.483 3.682 7.712 1.00 23.55 C ATOM 302 CD GLU A 31 4.103 3.969 7.154 1.00 30.05 C ATOM 303 OE1 GLU A 31 3.650 3.212 6.271 1.00 31.52 O ATOM 304 OE2 GLU A 31 3.476 4.952 7.602 1.00 52.01 O ATOM 0 H GLU A 31 7.949 3.527 7.806 1.00 60.44 H new ATOM 0 HA GLU A 31 6.621 1.766 9.553 1.00 63.31 H new ATOM 0 HB2 GLU A 31 6.170 2.013 6.563 1.00 52.15 H new ATOM 0 HB3 GLU A 31 4.995 1.601 7.796 1.00 52.15 H new ATOM 0 HG2 GLU A 31 5.515 3.977 8.761 1.00 23.55 H new ATOM 0 HG3 GLU A 31 6.217 4.292 7.187 1.00 23.55 H new ATOM 311 N ASP A 32 7.643 -0.454 9.152 1.00 40.55 N ATOM 312 CA ASP A 32 8.118 -1.814 8.925 1.00 53.43 C ATOM 313 C ASP A 32 7.017 -2.680 8.321 1.00 51.23 C ATOM 314 O ASP A 32 6.042 -2.167 7.772 1.00 62.11 O ATOM 315 CB ASP A 32 8.608 -2.431 10.236 1.00 51.34 C ATOM 316 CG ASP A 32 9.960 -3.101 10.090 1.00 11.10 C ATOM 317 OD1 ASP A 32 10.100 -3.968 9.202 1.00 21.43 O ATOM 318 OD2 ASP A 32 10.878 -2.757 10.863 1.00 22.42 O ATOM 0 H ASP A 32 7.429 -0.239 10.126 1.00 40.55 H new ATOM 0 HA ASP A 32 8.949 -1.770 8.220 1.00 53.43 H new ATOM 0 HB2 ASP A 32 8.671 -1.655 10.999 1.00 51.34 H new ATOM 0 HB3 ASP A 32 7.879 -3.162 10.585 1.00 51.34 H new ATOM 323 N GLU A 33 7.181 -3.995 8.425 1.00 0.12 N ATOM 324 CA GLU A 33 6.201 -4.931 7.887 1.00 25.51 C ATOM 325 C GLU A 33 5.603 -5.791 8.997 1.00 5.12 C ATOM 326 O GLU A 33 6.308 -6.564 9.647 1.00 53.01 O ATOM 327 CB GLU A 33 6.847 -5.826 6.826 1.00 0.35 C ATOM 328 CG GLU A 33 8.202 -6.377 7.238 1.00 72.02 C ATOM 329 CD GLU A 33 8.623 -7.571 6.404 1.00 22.51 C ATOM 330 OE1 GLU A 33 9.158 -7.363 5.295 1.00 14.20 O ATOM 331 OE2 GLU A 33 8.418 -8.715 6.862 1.00 63.44 O ATOM 0 H GLU A 33 7.982 -4.436 8.876 1.00 0.12 H new ATOM 0 HA GLU A 33 5.399 -4.353 7.427 1.00 25.51 H new ATOM 0 HB2 GLU A 33 6.177 -6.658 6.607 1.00 0.35 H new ATOM 0 HB3 GLU A 33 6.961 -5.257 5.903 1.00 0.35 H new ATOM 0 HG2 GLU A 33 8.953 -5.592 7.147 1.00 72.02 H new ATOM 0 HG3 GLU A 33 8.169 -6.666 8.289 1.00 72.02 H new ATOM 338 N VAL A 34 4.299 -5.649 9.209 1.00 31.45 N ATOM 339 CA VAL A 34 3.605 -6.412 10.240 1.00 32.31 C ATOM 340 C VAL A 34 3.464 -7.876 9.839 1.00 24.41 C ATOM 341 O VAL A 34 3.763 -8.253 8.705 1.00 30.33 O ATOM 342 CB VAL A 34 2.206 -5.832 10.522 1.00 61.14 C ATOM 343 CG1 VAL A 34 1.656 -6.376 11.831 1.00 73.31 C ATOM 344 CG2 VAL A 34 2.255 -4.312 10.545 1.00 3.23 C ATOM 0 H VAL A 34 3.702 -5.013 8.681 1.00 31.45 H new ATOM 0 HA VAL A 34 4.208 -6.342 11.145 1.00 32.31 H new ATOM 0 HB VAL A 34 1.536 -6.139 9.719 1.00 61.14 H new ATOM 0 HG11 VAL A 34 0.667 -5.955 12.013 1.00 73.31 H new ATOM 0 HG12 VAL A 34 1.583 -7.462 11.772 1.00 73.31 H new ATOM 0 HG13 VAL A 34 2.323 -6.102 12.648 1.00 73.31 H new ATOM 0 HG21 VAL A 34 1.258 -3.919 10.745 1.00 3.23 H new ATOM 0 HG22 VAL A 34 2.939 -3.982 11.327 1.00 3.23 H new ATOM 0 HG23 VAL A 34 2.603 -3.945 9.579 1.00 3.23 H new ATOM 354 N THR A 35 3.007 -8.700 10.777 1.00 30.12 N ATOM 355 CA THR A 35 2.827 -10.124 10.523 1.00 41.33 C ATOM 356 C THR A 35 1.412 -10.422 10.040 1.00 1.42 C ATOM 357 O THR A 35 1.213 -11.221 9.126 1.00 13.25 O ATOM 358 CB THR A 35 3.114 -10.960 11.784 1.00 60.52 C ATOM 359 OG1 THR A 35 2.174 -10.634 12.813 1.00 54.20 O ATOM 360 CG2 THR A 35 4.529 -10.715 12.286 1.00 52.31 C ATOM 0 H THR A 35 2.755 -8.405 11.720 1.00 30.12 H new ATOM 0 HA THR A 35 3.539 -10.399 9.744 1.00 41.33 H new ATOM 0 HB THR A 35 3.016 -12.014 11.524 1.00 60.52 H new ATOM 0 HG1 THR A 35 2.025 -11.419 13.381 1.00 54.20 H new ATOM 0 HG21 THR A 35 4.708 -11.316 13.177 1.00 52.31 H new ATOM 0 HG22 THR A 35 5.243 -10.993 11.511 1.00 52.31 H new ATOM 0 HG23 THR A 35 4.651 -9.660 12.530 1.00 52.31 H new ATOM 368 N GLY A 36 0.431 -9.772 10.660 1.00 22.43 N ATOM 369 CA GLY A 36 -0.953 -9.981 10.279 1.00 34.33 C ATOM 370 C GLY A 36 -1.926 -9.459 11.319 1.00 63.45 C ATOM 371 O GLY A 36 -2.714 -8.549 11.061 1.00 63.22 O ATOM 0 H GLY A 36 0.571 -9.105 11.419 1.00 22.43 H new ATOM 0 HA2 GLY A 36 -1.143 -9.486 9.327 1.00 34.33 H new ATOM 0 HA3 GLY A 36 -1.127 -11.046 10.125 1.00 34.33 H new ATOM 375 N PRO A 37 -1.879 -10.044 12.525 1.00 43.11 N ATOM 376 CA PRO A 37 -2.756 -9.649 13.631 1.00 75.24 C ATOM 377 C PRO A 37 -2.414 -8.268 14.178 1.00 43.20 C ATOM 378 O PRO A 37 -1.285 -7.796 14.037 1.00 73.12 O ATOM 379 CB PRO A 37 -2.498 -10.723 14.690 1.00 63.42 C ATOM 380 CG PRO A 37 -1.126 -11.223 14.395 1.00 63.51 C ATOM 381 CD PRO A 37 -0.965 -11.135 12.902 1.00 4.15 C ATOM 0 HA PRO A 37 -3.798 -9.580 13.319 1.00 75.24 H new ATOM 0 HB2 PRO A 37 -2.561 -10.310 15.697 1.00 63.42 H new ATOM 0 HB3 PRO A 37 -3.234 -11.525 14.628 1.00 63.42 H new ATOM 0 HG2 PRO A 37 -0.373 -10.621 14.905 1.00 63.51 H new ATOM 0 HG3 PRO A 37 -1.002 -12.249 14.741 1.00 63.51 H new ATOM 0 HD2 PRO A 37 0.064 -10.912 12.621 1.00 4.15 H new ATOM 0 HD3 PRO A 37 -1.233 -12.071 12.413 1.00 4.15 H new ATOM 389 N ASP A 38 -3.394 -7.625 14.803 1.00 4.41 N ATOM 390 CA ASP A 38 -3.195 -6.297 15.373 1.00 21.25 C ATOM 391 C ASP A 38 -2.111 -6.324 16.446 1.00 1.55 C ATOM 392 O ASP A 38 -1.443 -5.320 16.692 1.00 4.12 O ATOM 393 CB ASP A 38 -4.504 -5.772 15.966 1.00 63.31 C ATOM 394 CG ASP A 38 -5.262 -6.839 16.730 1.00 32.35 C ATOM 395 OD1 ASP A 38 -5.016 -6.986 17.946 1.00 52.41 O ATOM 396 OD2 ASP A 38 -6.101 -7.529 16.113 1.00 11.33 O ATOM 0 H ASP A 38 -4.334 -8.001 14.928 1.00 4.41 H new ATOM 0 HA ASP A 38 -2.874 -5.629 14.574 1.00 21.25 H new ATOM 0 HB2 ASP A 38 -4.289 -4.936 16.632 1.00 63.31 H new ATOM 0 HB3 ASP A 38 -5.134 -5.387 15.164 1.00 63.31 H new ATOM 401 N ALA A 39 -1.943 -7.478 17.083 1.00 73.11 N ATOM 402 CA ALA A 39 -0.940 -7.635 18.129 1.00 71.33 C ATOM 403 C ALA A 39 0.448 -7.265 17.618 1.00 41.11 C ATOM 404 O ALA A 39 1.252 -6.682 18.345 1.00 4.12 O ATOM 405 CB ALA A 39 -0.947 -9.062 18.656 1.00 31.35 C ATOM 0 H ALA A 39 -2.489 -8.318 16.893 1.00 73.11 H new ATOM 0 HA ALA A 39 -1.191 -6.957 18.944 1.00 71.33 H new ATOM 0 HB1 ALA A 39 -0.193 -9.165 19.437 1.00 31.35 H new ATOM 0 HB2 ALA A 39 -1.930 -9.293 19.067 1.00 31.35 H new ATOM 0 HB3 ALA A 39 -0.723 -9.752 17.842 1.00 31.35 H new ATOM 411 N ASP A 40 0.723 -7.608 16.364 1.00 11.52 N ATOM 412 CA ASP A 40 2.015 -7.311 15.756 1.00 55.51 C ATOM 413 C ASP A 40 2.038 -5.892 15.196 1.00 41.30 C ATOM 414 O ASP A 40 3.077 -5.232 15.195 1.00 43.43 O ATOM 415 CB ASP A 40 2.322 -8.316 14.645 1.00 43.30 C ATOM 416 CG ASP A 40 3.068 -9.533 15.156 1.00 45.43 C ATOM 417 OD1 ASP A 40 4.315 -9.482 15.217 1.00 54.45 O ATOM 418 OD2 ASP A 40 2.406 -10.536 15.494 1.00 64.32 O ATOM 0 H ASP A 40 0.069 -8.092 15.749 1.00 11.52 H new ATOM 0 HA ASP A 40 2.780 -7.390 16.528 1.00 55.51 H new ATOM 0 HB2 ASP A 40 1.389 -8.634 14.179 1.00 43.30 H new ATOM 0 HB3 ASP A 40 2.915 -7.828 13.871 1.00 43.30 H new ATOM 423 N ARG A 41 0.886 -5.430 14.720 1.00 5.41 N ATOM 424 CA ARG A 41 0.776 -4.090 14.155 1.00 33.22 C ATOM 425 C ARG A 41 0.903 -3.029 15.244 1.00 53.30 C ATOM 426 O ARG A 41 1.597 -2.028 15.071 1.00 42.34 O ATOM 427 CB ARG A 41 -0.559 -3.930 13.425 1.00 32.23 C ATOM 428 CG ARG A 41 -1.658 -3.335 14.290 1.00 54.52 C ATOM 429 CD ARG A 41 -2.955 -3.177 13.512 1.00 53.35 C ATOM 430 NE ARG A 41 -3.278 -4.373 12.738 1.00 14.40 N ATOM 431 CZ ARG A 41 -4.519 -4.744 12.443 1.00 72.00 C ATOM 432 NH1 ARG A 41 -5.548 -4.016 12.854 1.00 31.03 N ATOM 433 NH2 ARG A 41 -4.733 -5.846 11.735 1.00 44.55 N ATOM 0 H ARG A 41 0.016 -5.963 14.714 1.00 5.41 H new ATOM 0 HA ARG A 41 1.590 -3.954 13.443 1.00 33.22 H new ATOM 0 HB2 ARG A 41 -0.412 -3.295 12.551 1.00 32.23 H new ATOM 0 HB3 ARG A 41 -0.883 -4.905 13.060 1.00 32.23 H new ATOM 0 HG2 ARG A 41 -1.828 -3.975 15.156 1.00 54.52 H new ATOM 0 HG3 ARG A 41 -1.339 -2.364 14.669 1.00 54.52 H new ATOM 0 HD2 ARG A 41 -3.769 -2.962 14.204 1.00 53.35 H new ATOM 0 HD3 ARG A 41 -2.873 -2.322 12.841 1.00 53.35 H new ATOM 0 HE ARG A 41 -2.509 -4.955 12.406 1.00 14.40 H new ATOM 0 HH11 ARG A 41 -5.388 -3.168 13.398 1.00 31.03 H new ATOM 0 HH12 ARG A 41 -6.500 -4.304 12.626 1.00 31.03 H new ATOM 0 HH21 ARG A 41 -3.944 -6.409 11.417 1.00 44.55 H new ATOM 0 HH22 ARG A 41 -5.686 -6.130 11.509 1.00 44.55 H new ATOM 447 N ALA A 42 0.227 -3.255 16.366 1.00 73.14 N ATOM 448 CA ALA A 42 0.265 -2.320 17.483 1.00 42.53 C ATOM 449 C ALA A 42 1.627 -2.339 18.169 1.00 72.42 C ATOM 450 O ALA A 42 2.109 -1.310 18.642 1.00 20.20 O ATOM 451 CB ALA A 42 -0.836 -2.644 18.481 1.00 21.42 C ATOM 0 H ALA A 42 -0.354 -4.078 16.525 1.00 73.14 H new ATOM 0 HA ALA A 42 0.099 -1.317 17.090 1.00 42.53 H new ATOM 0 HB1 ALA A 42 -0.795 -1.937 19.310 1.00 21.42 H new ATOM 0 HB2 ALA A 42 -1.806 -2.571 17.989 1.00 21.42 H new ATOM 0 HB3 ALA A 42 -0.697 -3.656 18.860 1.00 21.42 H new ATOM 457 N ARG A 43 2.241 -3.517 18.220 1.00 45.42 N ATOM 458 CA ARG A 43 3.547 -3.670 18.850 1.00 21.21 C ATOM 459 C ARG A 43 4.660 -3.200 17.918 1.00 73.14 C ATOM 460 O ARG A 43 5.607 -2.543 18.348 1.00 64.53 O ATOM 461 CB ARG A 43 3.779 -5.130 19.243 1.00 70.43 C ATOM 462 CG ARG A 43 4.360 -5.977 18.122 1.00 22.43 C ATOM 463 CD ARG A 43 4.373 -7.453 18.489 1.00 24.10 C ATOM 464 NE ARG A 43 5.323 -8.210 17.678 1.00 73.24 N ATOM 465 CZ ARG A 43 6.640 -8.153 17.842 1.00 54.43 C ATOM 466 NH1 ARG A 43 7.160 -7.378 18.783 1.00 44.50 N ATOM 467 NH2 ARG A 43 7.439 -8.872 17.064 1.00 55.44 N ATOM 0 H ARG A 43 1.855 -4.378 17.833 1.00 45.42 H new ATOM 0 HA ARG A 43 3.564 -3.052 19.747 1.00 21.21 H new ATOM 0 HB2 ARG A 43 4.452 -5.164 20.099 1.00 70.43 H new ATOM 0 HB3 ARG A 43 2.833 -5.566 19.564 1.00 70.43 H new ATOM 0 HG2 ARG A 43 3.775 -5.832 17.214 1.00 22.43 H new ATOM 0 HG3 ARG A 43 5.375 -5.646 17.903 1.00 22.43 H new ATOM 0 HD2 ARG A 43 4.628 -7.562 19.543 1.00 24.10 H new ATOM 0 HD3 ARG A 43 3.374 -7.868 18.358 1.00 24.10 H new ATOM 0 HE ARG A 43 4.955 -8.816 16.945 1.00 73.24 H new ATOM 0 HH11 ARG A 43 6.549 -6.824 19.383 1.00 44.50 H new ATOM 0 HH12 ARG A 43 8.171 -7.336 18.907 1.00 44.50 H new ATOM 0 HH21 ARG A 43 7.042 -9.469 16.339 1.00 55.44 H new ATOM 0 HH22 ARG A 43 8.450 -8.827 17.191 1.00 55.44 H new ATOM 481 N ALA A 44 4.537 -3.542 16.639 1.00 10.22 N ATOM 482 CA ALA A 44 5.531 -3.154 15.646 1.00 52.30 C ATOM 483 C ALA A 44 5.369 -1.690 15.250 1.00 32.01 C ATOM 484 O ALA A 44 6.272 -0.879 15.452 1.00 62.23 O ATOM 485 CB ALA A 44 5.429 -4.049 14.420 1.00 53.43 C ATOM 0 H ALA A 44 3.759 -4.087 16.267 1.00 10.22 H new ATOM 0 HA ALA A 44 6.519 -3.276 16.090 1.00 52.30 H new ATOM 0 HB1 ALA A 44 6.177 -3.748 13.687 1.00 53.43 H new ATOM 0 HB2 ALA A 44 5.602 -5.085 14.711 1.00 53.43 H new ATOM 0 HB3 ALA A 44 4.435 -3.956 13.983 1.00 53.43 H new ATOM 491 N ALA A 45 4.212 -1.359 14.685 1.00 23.20 N ATOM 492 CA ALA A 45 3.932 0.007 14.262 1.00 0.31 C ATOM 493 C ALA A 45 4.164 0.993 15.402 1.00 14.21 C ATOM 494 O ALA A 45 4.371 2.184 15.173 1.00 44.24 O ATOM 495 CB ALA A 45 2.504 0.118 13.748 1.00 44.23 C ATOM 0 H ALA A 45 3.454 -2.019 14.510 1.00 23.20 H new ATOM 0 HA ALA A 45 4.618 0.259 13.453 1.00 0.31 H new ATOM 0 HB1 ALA A 45 2.309 1.144 13.435 1.00 44.23 H new ATOM 0 HB2 ALA A 45 2.370 -0.552 12.899 1.00 44.23 H new ATOM 0 HB3 ALA A 45 1.809 -0.158 14.541 1.00 44.23 H new ATOM 501 N ALA A 46 4.126 0.489 16.631 1.00 13.12 N ATOM 502 CA ALA A 46 4.333 1.326 17.807 1.00 72.43 C ATOM 503 C ALA A 46 5.646 2.095 17.709 1.00 60.51 C ATOM 504 O ALA A 46 5.652 3.310 17.512 1.00 24.24 O ATOM 505 CB ALA A 46 4.309 0.477 19.069 1.00 32.13 C ATOM 0 H ALA A 46 3.954 -0.495 16.838 1.00 13.12 H new ATOM 0 HA ALA A 46 3.521 2.051 17.854 1.00 72.43 H new ATOM 0 HB1 ALA A 46 4.465 1.114 19.939 1.00 32.13 H new ATOM 0 HB2 ALA A 46 3.344 -0.023 19.153 1.00 32.13 H new ATOM 0 HB3 ALA A 46 5.101 -0.270 19.020 1.00 32.13 H new ATOM 511 N VAL A 47 6.757 1.379 17.848 1.00 65.31 N ATOM 512 CA VAL A 47 8.077 1.994 17.775 1.00 63.13 C ATOM 513 C VAL A 47 8.826 1.541 16.527 1.00 65.33 C ATOM 514 O VAL A 47 9.850 2.118 16.162 1.00 24.14 O ATOM 515 CB VAL A 47 8.923 1.659 19.018 1.00 74.52 C ATOM 516 CG1 VAL A 47 10.212 2.465 19.020 1.00 0.45 C ATOM 517 CG2 VAL A 47 8.124 1.910 20.288 1.00 22.40 C ATOM 0 H VAL A 47 6.769 0.372 18.012 1.00 65.31 H new ATOM 0 HA VAL A 47 7.921 3.072 17.731 1.00 63.13 H new ATOM 0 HB VAL A 47 9.185 0.602 18.984 1.00 74.52 H new ATOM 0 HG11 VAL A 47 10.796 2.215 19.906 1.00 0.45 H new ATOM 0 HG12 VAL A 47 10.789 2.230 18.126 1.00 0.45 H new ATOM 0 HG13 VAL A 47 9.976 3.529 19.030 1.00 0.45 H new ATOM 0 HG21 VAL A 47 8.736 1.668 21.157 1.00 22.40 H new ATOM 0 HG22 VAL A 47 7.830 2.959 20.332 1.00 22.40 H new ATOM 0 HG23 VAL A 47 7.232 1.283 20.287 1.00 22.40 H new ATOM 527 N GLN A 48 8.308 0.504 15.876 1.00 42.21 N ATOM 528 CA GLN A 48 8.929 -0.027 14.668 1.00 50.30 C ATOM 529 C GLN A 48 8.558 0.814 13.451 1.00 45.32 C ATOM 530 O GLN A 48 9.360 0.980 12.532 1.00 74.14 O ATOM 531 CB GLN A 48 8.504 -1.480 14.447 1.00 4.43 C ATOM 532 CG GLN A 48 9.552 -2.317 13.732 1.00 72.52 C ATOM 533 CD GLN A 48 10.328 -3.214 14.677 1.00 14.40 C ATOM 534 OE1 GLN A 48 10.350 -2.987 15.887 1.00 24.11 O ATOM 535 NE2 GLN A 48 10.969 -4.239 14.129 1.00 52.15 N ATOM 0 H GLN A 48 7.461 0.015 16.165 1.00 42.21 H new ATOM 0 HA GLN A 48 10.010 0.012 14.798 1.00 50.30 H new ATOM 0 HB2 GLN A 48 8.283 -1.936 15.412 1.00 4.43 H new ATOM 0 HB3 GLN A 48 7.581 -1.496 13.868 1.00 4.43 H new ATOM 0 HG2 GLN A 48 9.066 -2.930 12.973 1.00 72.52 H new ATOM 0 HG3 GLN A 48 10.246 -1.657 13.212 1.00 72.52 H new ATOM 0 HE21 GLN A 48 10.923 -4.389 13.121 1.00 52.15 H new ATOM 0 HE22 GLN A 48 11.507 -4.876 14.716 1.00 52.15 H new ATOM 544 N ALA A 49 7.339 1.343 13.452 1.00 60.31 N ATOM 545 CA ALA A 49 6.863 2.168 12.349 1.00 61.14 C ATOM 546 C ALA A 49 6.802 3.638 12.749 1.00 3.00 C ATOM 547 O ALA A 49 6.523 4.506 11.922 1.00 11.10 O ATOM 548 CB ALA A 49 5.496 1.689 11.883 1.00 62.23 C ATOM 0 H ALA A 49 6.663 1.215 14.205 1.00 60.31 H new ATOM 0 HA ALA A 49 7.570 2.072 11.525 1.00 61.14 H new ATOM 0 HB1 ALA A 49 5.153 2.314 11.059 1.00 62.23 H new ATOM 0 HB2 ALA A 49 5.568 0.654 11.548 1.00 62.23 H new ATOM 0 HB3 ALA A 49 4.787 1.755 12.708 1.00 62.23 H new ATOM 554 N VAL A 50 7.065 3.911 14.023 1.00 20.12 N ATOM 555 CA VAL A 50 7.040 5.277 14.533 1.00 25.43 C ATOM 556 C VAL A 50 8.432 5.898 14.508 1.00 65.21 C ATOM 557 O VAL A 50 8.617 7.080 14.798 1.00 62.01 O ATOM 558 CB VAL A 50 6.493 5.329 15.972 1.00 22.51 C ATOM 559 CG1 VAL A 50 7.631 5.258 16.979 1.00 0.42 C ATOM 560 CG2 VAL A 50 5.662 6.586 16.181 1.00 64.34 C ATOM 0 H VAL A 50 7.298 3.204 14.721 1.00 20.12 H new ATOM 0 HA VAL A 50 6.379 5.847 13.880 1.00 25.43 H new ATOM 0 HB VAL A 50 5.848 4.465 16.128 1.00 22.51 H new ATOM 0 HG11 VAL A 50 7.225 5.296 17.990 1.00 0.42 H new ATOM 0 HG12 VAL A 50 8.180 4.326 16.843 1.00 0.42 H new ATOM 0 HG13 VAL A 50 8.305 6.101 16.827 1.00 0.42 H new ATOM 0 HG21 VAL A 50 5.284 6.606 17.203 1.00 64.34 H new ATOM 0 HG22 VAL A 50 6.282 7.465 16.006 1.00 64.34 H new ATOM 0 HG23 VAL A 50 4.824 6.588 15.484 1.00 64.34 H new ATOM 570 N PRO A 51 9.437 5.084 14.152 1.00 23.44 N ATOM 571 CA PRO A 51 10.831 5.532 14.079 1.00 22.44 C ATOM 572 C PRO A 51 11.071 6.494 12.921 1.00 31.11 C ATOM 573 O PRO A 51 11.977 7.324 12.969 1.00 42.43 O ATOM 574 CB PRO A 51 11.611 4.232 13.865 1.00 72.12 C ATOM 575 CG PRO A 51 10.635 3.306 13.224 1.00 41.42 C ATOM 576 CD PRO A 51 9.290 3.663 13.794 1.00 61.03 C ATOM 0 HA PRO A 51 11.129 6.082 14.971 1.00 22.44 H new ATOM 0 HB2 PRO A 51 12.481 4.393 13.229 1.00 72.12 H new ATOM 0 HB3 PRO A 51 11.977 3.830 14.810 1.00 72.12 H new ATOM 0 HG2 PRO A 51 10.642 3.420 12.140 1.00 41.42 H new ATOM 0 HG3 PRO A 51 10.886 2.267 13.436 1.00 41.42 H new ATOM 0 HD2 PRO A 51 8.492 3.512 13.066 1.00 61.03 H new ATOM 0 HD3 PRO A 51 9.047 3.053 14.664 1.00 61.03 H new ATOM 584 N GLY A 52 10.251 6.376 11.881 1.00 43.54 N ATOM 585 CA GLY A 52 10.391 7.243 10.725 1.00 60.12 C ATOM 586 C GLY A 52 9.723 8.589 10.925 1.00 23.11 C ATOM 587 O GLY A 52 10.369 9.631 10.822 1.00 14.32 O ATOM 0 H GLY A 52 9.493 5.696 11.818 1.00 43.54 H new ATOM 0 HA2 GLY A 52 11.450 7.394 10.514 1.00 60.12 H new ATOM 0 HA3 GLY A 52 9.959 6.753 9.853 1.00 60.12 H new ATOM 591 N GLY A 53 8.425 8.567 11.211 1.00 51.21 N ATOM 592 CA GLY A 53 7.691 9.801 11.420 1.00 55.44 C ATOM 593 C GLY A 53 6.418 9.591 12.216 1.00 50.31 C ATOM 594 O GLY A 53 6.017 10.453 12.999 1.00 32.44 O ATOM 0 H GLY A 53 7.869 7.717 11.302 1.00 51.21 H new ATOM 0 HA2 GLY A 53 8.328 10.515 11.941 1.00 55.44 H new ATOM 0 HA3 GLY A 53 7.443 10.241 10.454 1.00 55.44 H new ATOM 598 N THR A 54 5.779 8.443 12.015 1.00 54.10 N ATOM 599 CA THR A 54 4.543 8.123 12.718 1.00 55.52 C ATOM 600 C THR A 54 4.410 6.621 12.942 1.00 41.50 C ATOM 601 O THR A 54 4.929 5.820 12.165 1.00 55.41 O ATOM 602 CB THR A 54 3.310 8.626 11.943 1.00 13.11 C ATOM 603 OG1 THR A 54 3.618 9.855 11.275 1.00 22.51 O ATOM 604 CG2 THR A 54 2.130 8.835 12.880 1.00 32.13 C ATOM 0 H THR A 54 6.097 7.719 11.371 1.00 54.10 H new ATOM 0 HA THR A 54 4.588 8.628 13.683 1.00 55.52 H new ATOM 0 HB THR A 54 3.039 7.870 11.206 1.00 13.11 H new ATOM 0 HG1 THR A 54 2.829 10.167 10.784 1.00 22.51 H new ATOM 0 HG21 THR A 54 1.271 9.190 12.310 1.00 32.13 H new ATOM 0 HG22 THR A 54 1.879 7.892 13.365 1.00 32.13 H new ATOM 0 HG23 THR A 54 2.393 9.573 13.638 1.00 32.13 H new ATOM 612 N ALA A 55 3.712 6.246 14.009 1.00 41.41 N ATOM 613 CA ALA A 55 3.509 4.840 14.333 1.00 23.13 C ATOM 614 C ALA A 55 2.531 4.188 13.362 1.00 30.11 C ATOM 615 O ALA A 55 1.356 4.005 13.678 1.00 2.13 O ATOM 616 CB ALA A 55 3.012 4.695 15.764 1.00 73.42 C ATOM 0 H ALA A 55 3.278 6.897 14.664 1.00 41.41 H new ATOM 0 HA ALA A 55 4.467 4.329 14.239 1.00 23.13 H new ATOM 0 HB1 ALA A 55 2.865 3.640 15.993 1.00 73.42 H new ATOM 0 HB2 ALA A 55 3.748 5.115 16.449 1.00 73.42 H new ATOM 0 HB3 ALA A 55 2.067 5.226 15.876 1.00 73.42 H new ATOM 622 N GLY A 56 3.024 3.840 12.177 1.00 32.52 N ATOM 623 CA GLY A 56 2.179 3.213 11.178 1.00 71.53 C ATOM 624 C GLY A 56 2.923 2.180 10.354 1.00 2.24 C ATOM 625 O GLY A 56 3.686 2.528 9.454 1.00 50.51 O ATOM 0 H GLY A 56 3.993 3.981 11.891 1.00 32.52 H new ATOM 0 HA2 GLY A 56 1.331 2.738 11.671 1.00 71.53 H new ATOM 0 HA3 GLY A 56 1.775 3.979 10.516 1.00 71.53 H new ATOM 629 N GLU A 57 2.702 0.907 10.665 1.00 63.52 N ATOM 630 CA GLU A 57 3.361 -0.179 9.948 1.00 73.03 C ATOM 631 C GLU A 57 2.468 -0.714 8.832 1.00 32.51 C ATOM 632 O GLU A 57 1.368 -0.209 8.605 1.00 64.11 O ATOM 633 CB GLU A 57 3.725 -1.310 10.912 1.00 75.11 C ATOM 634 CG GLU A 57 4.904 -2.148 10.449 1.00 23.42 C ATOM 635 CD GLU A 57 5.682 -2.749 11.604 1.00 11.12 C ATOM 636 OE1 GLU A 57 5.997 -2.007 12.558 1.00 51.33 O ATOM 637 OE2 GLU A 57 5.975 -3.962 11.554 1.00 2.12 O ATOM 0 H GLU A 57 2.073 0.602 11.408 1.00 63.52 H new ATOM 0 HA GLU A 57 4.274 0.216 9.502 1.00 73.03 H new ATOM 0 HB2 GLU A 57 3.954 -0.884 11.889 1.00 75.11 H new ATOM 0 HB3 GLU A 57 2.858 -1.958 11.042 1.00 75.11 H new ATOM 0 HG2 GLU A 57 4.544 -2.948 9.802 1.00 23.42 H new ATOM 0 HG3 GLU A 57 5.571 -1.529 9.849 1.00 23.42 H new ATOM 644 N VAL A 58 2.949 -1.741 8.138 1.00 1.10 N ATOM 645 CA VAL A 58 2.196 -2.346 7.046 1.00 34.13 C ATOM 646 C VAL A 58 2.150 -3.864 7.185 1.00 42.30 C ATOM 647 O VAL A 58 3.182 -4.532 7.138 1.00 44.31 O ATOM 648 CB VAL A 58 2.802 -1.985 5.678 1.00 43.45 C ATOM 649 CG1 VAL A 58 2.023 -2.652 4.555 1.00 72.13 C ATOM 650 CG2 VAL A 58 2.834 -0.475 5.491 1.00 23.14 C ATOM 0 H VAL A 58 3.857 -2.171 8.313 1.00 1.10 H new ATOM 0 HA VAL A 58 1.183 -1.948 7.102 1.00 34.13 H new ATOM 0 HB VAL A 58 3.827 -2.355 5.646 1.00 43.45 H new ATOM 0 HG11 VAL A 58 2.467 -2.385 3.596 1.00 72.13 H new ATOM 0 HG12 VAL A 58 2.057 -3.734 4.682 1.00 72.13 H new ATOM 0 HG13 VAL A 58 0.986 -2.316 4.582 1.00 72.13 H new ATOM 0 HG21 VAL A 58 3.265 -0.238 4.519 1.00 23.14 H new ATOM 0 HG22 VAL A 58 1.819 -0.080 5.544 1.00 23.14 H new ATOM 0 HG23 VAL A 58 3.440 -0.024 6.277 1.00 23.14 H new ATOM 660 N GLU A 59 0.946 -4.401 7.356 1.00 63.24 N ATOM 661 CA GLU A 59 0.767 -5.841 7.501 1.00 0.14 C ATOM 662 C GLU A 59 0.419 -6.484 6.162 1.00 21.31 C ATOM 663 O GLU A 59 -0.483 -6.030 5.457 1.00 21.21 O ATOM 664 CB GLU A 59 -0.332 -6.140 8.524 1.00 44.53 C ATOM 665 CG GLU A 59 -1.736 -6.062 7.948 1.00 23.14 C ATOM 666 CD GLU A 59 -2.169 -7.358 7.291 1.00 71.00 C ATOM 667 OE1 GLU A 59 -1.404 -8.342 7.360 1.00 64.40 O ATOM 668 OE2 GLU A 59 -3.273 -7.388 6.708 1.00 43.03 O ATOM 0 H GLU A 59 0.081 -3.862 7.397 1.00 63.24 H new ATOM 0 HA GLU A 59 1.707 -6.264 7.854 1.00 0.14 H new ATOM 0 HB2 GLU A 59 -0.172 -7.136 8.936 1.00 44.53 H new ATOM 0 HB3 GLU A 59 -0.248 -5.436 9.352 1.00 44.53 H new ATOM 0 HG2 GLU A 59 -2.438 -5.810 8.743 1.00 23.14 H new ATOM 0 HG3 GLU A 59 -1.780 -5.255 7.216 1.00 23.14 H new ATOM 675 N THR A 60 1.142 -7.545 5.816 1.00 32.23 N ATOM 676 CA THR A 60 0.912 -8.251 4.562 1.00 41.42 C ATOM 677 C THR A 60 0.093 -9.517 4.785 1.00 2.20 C ATOM 678 O THR A 60 0.521 -10.425 5.496 1.00 34.43 O ATOM 679 CB THR A 60 2.240 -8.626 3.877 1.00 52.31 C ATOM 680 OG1 THR A 60 1.991 -9.500 2.771 1.00 75.04 O ATOM 681 CG2 THR A 60 3.184 -9.300 4.860 1.00 23.32 C ATOM 0 H THR A 60 1.892 -7.934 6.387 1.00 32.23 H new ATOM 0 HA THR A 60 0.357 -7.572 3.915 1.00 41.42 H new ATOM 0 HB THR A 60 2.709 -7.710 3.517 1.00 52.31 H new ATOM 0 HG1 THR A 60 2.121 -9.011 1.932 1.00 75.04 H new ATOM 0 HG21 THR A 60 4.115 -9.556 4.354 1.00 23.32 H new ATOM 0 HG22 THR A 60 3.395 -8.621 5.686 1.00 23.32 H new ATOM 0 HG23 THR A 60 2.720 -10.208 5.246 1.00 23.32 H new ATOM 689 N GLU A 61 -1.085 -9.570 4.172 1.00 13.32 N ATOM 690 CA GLU A 61 -1.964 -10.726 4.305 1.00 24.03 C ATOM 691 C GLU A 61 -2.529 -11.139 2.949 1.00 11.33 C ATOM 692 O GLU A 61 -3.463 -10.519 2.438 1.00 63.41 O ATOM 693 CB GLU A 61 -3.107 -10.417 5.274 1.00 22.33 C ATOM 694 CG GLU A 61 -4.183 -11.489 5.307 1.00 32.21 C ATOM 695 CD GLU A 61 -4.385 -12.072 6.693 1.00 45.44 C ATOM 696 OE1 GLU A 61 -5.082 -11.434 7.509 1.00 24.23 O ATOM 697 OE2 GLU A 61 -3.845 -13.166 6.960 1.00 44.32 O ATOM 0 H GLU A 61 -1.453 -8.826 3.579 1.00 13.32 H new ATOM 0 HA GLU A 61 -1.376 -11.554 4.701 1.00 24.03 H new ATOM 0 HB2 GLU A 61 -2.698 -10.293 6.277 1.00 22.33 H new ATOM 0 HB3 GLU A 61 -3.561 -9.466 4.995 1.00 22.33 H new ATOM 0 HG2 GLU A 61 -5.123 -11.065 4.955 1.00 32.21 H new ATOM 0 HG3 GLU A 61 -3.915 -12.289 4.616 1.00 32.21 H new ATOM 704 N THR A 62 -1.956 -12.190 2.371 1.00 52.33 N ATOM 705 CA THR A 62 -2.401 -12.685 1.074 1.00 5.11 C ATOM 706 C THR A 62 -3.426 -13.802 1.234 1.00 45.11 C ATOM 707 O THR A 62 -3.185 -14.782 1.937 1.00 71.40 O ATOM 708 CB THR A 62 -1.217 -13.205 0.236 1.00 35.30 C ATOM 709 OG1 THR A 62 -0.589 -14.304 0.905 1.00 21.22 O ATOM 710 CG2 THR A 62 -0.198 -12.102 -0.005 1.00 54.12 C ATOM 0 H THR A 62 -1.183 -12.715 2.780 1.00 52.33 H new ATOM 0 HA THR A 62 -2.862 -11.845 0.555 1.00 5.11 H new ATOM 0 HB THR A 62 -1.602 -13.539 -0.728 1.00 35.30 H new ATOM 0 HG1 THR A 62 -1.267 -14.830 1.377 1.00 21.22 H new ATOM 0 HG21 THR A 62 0.628 -12.493 -0.599 1.00 54.12 H new ATOM 0 HG22 THR A 62 -0.672 -11.279 -0.541 1.00 54.12 H new ATOM 0 HG23 THR A 62 0.181 -11.742 0.951 1.00 54.12 H new ATOM 718 N GLY A 63 -4.570 -13.647 0.576 1.00 75.02 N ATOM 719 CA GLY A 63 -5.615 -14.651 0.658 1.00 60.11 C ATOM 720 C GLY A 63 -5.876 -15.327 -0.674 1.00 1.42 C ATOM 721 O GLY A 63 -4.997 -15.377 -1.534 1.00 12.34 O ATOM 0 H GLY A 63 -4.792 -12.844 -0.013 1.00 75.02 H new ATOM 0 HA2 GLY A 63 -5.334 -15.404 1.395 1.00 60.11 H new ATOM 0 HA3 GLY A 63 -6.535 -14.185 1.012 1.00 60.11 H new ATOM 725 N GLU A 64 -7.087 -15.849 -0.844 1.00 4.23 N ATOM 726 CA GLU A 64 -7.459 -16.527 -2.080 1.00 4.02 C ATOM 727 C GLU A 64 -8.004 -15.534 -3.102 1.00 71.01 C ATOM 728 O GLU A 64 -8.370 -15.910 -4.215 1.00 44.00 O ATOM 729 CB GLU A 64 -8.501 -17.611 -1.799 1.00 32.11 C ATOM 730 CG GLU A 64 -8.780 -18.511 -2.991 1.00 23.20 C ATOM 731 CD GLU A 64 -9.296 -19.877 -2.583 1.00 33.14 C ATOM 732 OE1 GLU A 64 -10.364 -19.938 -1.937 1.00 63.20 O ATOM 733 OE2 GLU A 64 -8.634 -20.884 -2.908 1.00 23.21 O ATOM 0 H GLU A 64 -7.826 -15.815 -0.142 1.00 4.23 H new ATOM 0 HA GLU A 64 -6.564 -16.992 -2.493 1.00 4.02 H new ATOM 0 HB2 GLU A 64 -8.160 -18.223 -0.964 1.00 32.11 H new ATOM 0 HB3 GLU A 64 -9.431 -17.137 -1.487 1.00 32.11 H new ATOM 0 HG2 GLU A 64 -9.511 -18.030 -3.641 1.00 23.20 H new ATOM 0 HG3 GLU A 64 -7.866 -18.631 -3.573 1.00 23.20 H new ATOM 740 N GLY A 65 -8.056 -14.263 -2.715 1.00 31.12 N ATOM 741 CA GLY A 65 -8.559 -13.235 -3.608 1.00 24.42 C ATOM 742 C GLY A 65 -7.451 -12.378 -4.187 1.00 23.11 C ATOM 743 O GLY A 65 -6.818 -12.753 -5.174 1.00 10.04 O ATOM 0 H GLY A 65 -7.759 -13.927 -1.799 1.00 31.12 H new ATOM 0 HA2 GLY A 65 -9.114 -13.704 -4.421 1.00 24.42 H new ATOM 0 HA3 GLY A 65 -9.261 -12.600 -3.067 1.00 24.42 H new ATOM 747 N ALA A 66 -7.216 -11.223 -3.573 1.00 52.10 N ATOM 748 CA ALA A 66 -6.177 -10.310 -4.033 1.00 71.34 C ATOM 749 C ALA A 66 -5.065 -10.178 -2.999 1.00 23.12 C ATOM 750 O ALA A 66 -4.616 -11.170 -2.425 1.00 74.45 O ATOM 751 CB ALA A 66 -6.774 -8.946 -4.347 1.00 22.21 C ATOM 0 H ALA A 66 -7.732 -10.897 -2.755 1.00 52.10 H new ATOM 0 HA ALA A 66 -5.743 -10.722 -4.944 1.00 71.34 H new ATOM 0 HB1 ALA A 66 -5.987 -8.274 -4.689 1.00 22.21 H new ATOM 0 HB2 ALA A 66 -7.528 -9.050 -5.128 1.00 22.21 H new ATOM 0 HB3 ALA A 66 -7.236 -8.536 -3.449 1.00 22.21 H new ATOM 757 N ALA A 67 -4.623 -8.947 -2.765 1.00 52.55 N ATOM 758 CA ALA A 67 -3.564 -8.685 -1.799 1.00 10.01 C ATOM 759 C ALA A 67 -4.093 -7.897 -0.605 1.00 24.51 C ATOM 760 O ALA A 67 -4.141 -6.668 -0.633 1.00 34.24 O ATOM 761 CB ALA A 67 -2.418 -7.936 -2.462 1.00 4.11 C ATOM 0 H ALA A 67 -4.983 -8.115 -3.232 1.00 52.55 H new ATOM 0 HA ALA A 67 -3.194 -9.643 -1.434 1.00 10.01 H new ATOM 0 HB1 ALA A 67 -1.634 -7.747 -1.729 1.00 4.11 H new ATOM 0 HB2 ALA A 67 -2.015 -8.536 -3.278 1.00 4.11 H new ATOM 0 HB3 ALA A 67 -2.783 -6.987 -2.856 1.00 4.11 H new ATOM 767 N ALA A 68 -4.488 -8.614 0.442 1.00 12.23 N ATOM 768 CA ALA A 68 -5.012 -7.981 1.647 1.00 71.44 C ATOM 769 C ALA A 68 -3.883 -7.454 2.525 1.00 1.41 C ATOM 770 O ALA A 68 -3.310 -8.192 3.327 1.00 61.15 O ATOM 771 CB ALA A 68 -5.875 -8.963 2.426 1.00 62.23 C ATOM 0 H ALA A 68 -4.455 -9.633 0.480 1.00 12.23 H new ATOM 0 HA ALA A 68 -5.628 -7.134 1.345 1.00 71.44 H new ATOM 0 HB1 ALA A 68 -6.260 -8.477 3.323 1.00 62.23 H new ATOM 0 HB2 ALA A 68 -6.709 -9.288 1.804 1.00 62.23 H new ATOM 0 HB3 ALA A 68 -5.276 -9.828 2.710 1.00 62.23 H new ATOM 777 N TYR A 69 -3.568 -6.173 2.369 1.00 44.22 N ATOM 778 CA TYR A 69 -2.504 -5.547 3.146 1.00 72.21 C ATOM 779 C TYR A 69 -3.060 -4.441 4.038 1.00 62.03 C ATOM 780 O TYR A 69 -3.573 -3.435 3.551 1.00 12.51 O ATOM 781 CB TYR A 69 -1.432 -4.977 2.216 1.00 62.41 C ATOM 782 CG TYR A 69 -0.547 -6.034 1.593 1.00 54.32 C ATOM 783 CD1 TYR A 69 -1.082 -7.022 0.776 1.00 20.52 C ATOM 784 CD2 TYR A 69 0.823 -6.042 1.820 1.00 65.10 C ATOM 785 CE1 TYR A 69 -0.278 -7.990 0.206 1.00 43.24 C ATOM 786 CE2 TYR A 69 1.636 -7.005 1.252 1.00 13.33 C ATOM 787 CZ TYR A 69 1.080 -7.977 0.446 1.00 4.44 C ATOM 788 OH TYR A 69 1.885 -8.938 -0.121 1.00 42.34 O ATOM 0 H TYR A 69 -4.034 -5.548 1.712 1.00 44.22 H new ATOM 0 HA TYR A 69 -2.055 -6.311 3.781 1.00 72.21 H new ATOM 0 HB2 TYR A 69 -1.916 -4.407 1.423 1.00 62.41 H new ATOM 0 HB3 TYR A 69 -0.810 -4.279 2.777 1.00 62.41 H new ATOM 0 HD1 TYR A 69 -2.145 -7.034 0.583 1.00 20.52 H new ATOM 0 HD2 TYR A 69 1.261 -5.283 2.451 1.00 65.10 H new ATOM 0 HE1 TYR A 69 -0.711 -8.753 -0.424 1.00 43.24 H new ATOM 0 HE2 TYR A 69 2.700 -6.997 1.438 1.00 13.33 H new ATOM 0 HH TYR A 69 2.822 -8.659 -0.058 1.00 42.34 H new ATOM 798 N GLY A 70 -2.952 -4.636 5.349 1.00 72.44 N ATOM 799 CA GLY A 70 -3.447 -3.648 6.289 1.00 70.00 C ATOM 800 C GLY A 70 -2.346 -2.751 6.821 1.00 75.54 C ATOM 801 O GLY A 70 -1.495 -3.192 7.593 1.00 33.31 O ATOM 0 H GLY A 70 -2.530 -5.461 5.776 1.00 72.44 H new ATOM 0 HA2 GLY A 70 -4.206 -3.036 5.802 1.00 70.00 H new ATOM 0 HA3 GLY A 70 -3.933 -4.155 7.123 1.00 70.00 H new ATOM 805 N VAL A 71 -2.361 -1.489 6.405 1.00 13.10 N ATOM 806 CA VAL A 71 -1.357 -0.528 6.844 1.00 44.21 C ATOM 807 C VAL A 71 -1.927 0.426 7.888 1.00 71.25 C ATOM 808 O VAL A 71 -2.760 1.278 7.576 1.00 1.43 O ATOM 809 CB VAL A 71 -0.809 0.292 5.660 1.00 32.13 C ATOM 810 CG1 VAL A 71 -1.948 0.939 4.887 1.00 42.12 C ATOM 811 CG2 VAL A 71 0.177 1.341 6.150 1.00 25.12 C ATOM 0 H VAL A 71 -3.058 -1.108 5.764 1.00 13.10 H new ATOM 0 HA VAL A 71 -0.543 -1.102 7.287 1.00 44.21 H new ATOM 0 HB VAL A 71 -0.281 -0.383 4.986 1.00 32.13 H new ATOM 0 HG11 VAL A 71 -1.542 1.514 4.055 1.00 42.12 H new ATOM 0 HG12 VAL A 71 -2.613 0.165 4.504 1.00 42.12 H new ATOM 0 HG13 VAL A 71 -2.506 1.602 5.548 1.00 42.12 H new ATOM 0 HG21 VAL A 71 0.554 1.911 5.301 1.00 25.12 H new ATOM 0 HG22 VAL A 71 -0.324 2.015 6.845 1.00 25.12 H new ATOM 0 HG23 VAL A 71 1.009 0.850 6.656 1.00 25.12 H new ATOM 821 N LEU A 72 -1.474 0.277 9.127 1.00 2.13 N ATOM 822 CA LEU A 72 -1.939 1.126 10.219 1.00 65.11 C ATOM 823 C LEU A 72 -0.958 2.265 10.478 1.00 10.21 C ATOM 824 O LEU A 72 0.257 2.084 10.393 1.00 13.42 O ATOM 825 CB LEU A 72 -2.124 0.298 11.492 1.00 62.13 C ATOM 826 CG LEU A 72 -1.162 -0.876 11.674 1.00 24.45 C ATOM 827 CD1 LEU A 72 -1.479 -1.986 10.684 1.00 42.44 C ATOM 828 CD2 LEU A 72 0.280 -0.414 11.517 1.00 33.32 C ATOM 0 H LEU A 72 -0.785 -0.423 9.401 1.00 2.13 H new ATOM 0 HA LEU A 72 -2.898 1.555 9.930 1.00 65.11 H new ATOM 0 HB2 LEU A 72 -2.023 0.961 12.351 1.00 62.13 H new ATOM 0 HB3 LEU A 72 -3.143 -0.088 11.506 1.00 62.13 H new ATOM 0 HG LEU A 72 -1.288 -1.270 12.682 1.00 24.45 H new ATOM 0 HD11 LEU A 72 -0.784 -2.813 10.829 1.00 42.44 H new ATOM 0 HD12 LEU A 72 -2.498 -2.337 10.845 1.00 42.44 H new ATOM 0 HD13 LEU A 72 -1.383 -1.605 9.667 1.00 42.44 H new ATOM 0 HD21 LEU A 72 0.951 -1.263 11.650 1.00 33.32 H new ATOM 0 HD22 LEU A 72 0.421 0.007 10.522 1.00 33.32 H new ATOM 0 HD23 LEU A 72 0.503 0.345 12.267 1.00 33.32 H new ATOM 840 N VAL A 73 -1.494 3.439 10.797 1.00 42.33 N ATOM 841 CA VAL A 73 -0.666 4.608 11.072 1.00 34.20 C ATOM 842 C VAL A 73 -1.351 5.545 12.061 1.00 44.24 C ATOM 843 O VAL A 73 -2.450 6.039 11.807 1.00 42.32 O ATOM 844 CB VAL A 73 -0.346 5.385 9.782 1.00 51.34 C ATOM 845 CG1 VAL A 73 -1.627 5.754 9.048 1.00 22.41 C ATOM 846 CG2 VAL A 73 0.473 6.628 10.098 1.00 71.41 C ATOM 0 H VAL A 73 -2.497 3.606 10.871 1.00 42.33 H new ATOM 0 HA VAL A 73 0.264 4.243 11.507 1.00 34.20 H new ATOM 0 HB VAL A 73 0.246 4.743 9.130 1.00 51.34 H new ATOM 0 HG11 VAL A 73 -1.380 6.303 8.139 1.00 22.41 H new ATOM 0 HG12 VAL A 73 -2.171 4.846 8.788 1.00 22.41 H new ATOM 0 HG13 VAL A 73 -2.248 6.378 9.691 1.00 22.41 H new ATOM 0 HG21 VAL A 73 0.690 7.165 9.175 1.00 71.41 H new ATOM 0 HG22 VAL A 73 -0.092 7.275 10.770 1.00 71.41 H new ATOM 0 HG23 VAL A 73 1.408 6.336 10.576 1.00 71.41 H new ATOM 856 N THR A 74 -0.693 5.787 13.190 1.00 11.34 N ATOM 857 CA THR A 74 -1.238 6.665 14.219 1.00 44.15 C ATOM 858 C THR A 74 -0.207 6.943 15.307 1.00 62.13 C ATOM 859 O THR A 74 0.936 7.295 15.016 1.00 5.34 O ATOM 860 CB THR A 74 -2.498 6.060 14.864 1.00 33.31 C ATOM 861 OG1 THR A 74 -3.301 5.420 13.866 1.00 50.15 O ATOM 862 CG2 THR A 74 -3.315 7.133 15.567 1.00 0.43 C ATOM 0 H THR A 74 0.218 5.388 13.415 1.00 11.34 H new ATOM 0 HA THR A 74 -1.504 7.601 13.727 1.00 44.15 H new ATOM 0 HB THR A 74 -2.182 5.324 15.603 1.00 33.31 H new ATOM 0 HG1 THR A 74 -3.309 5.966 13.052 1.00 50.15 H new ATOM 0 HG21 THR A 74 -4.200 6.681 16.015 1.00 0.43 H new ATOM 0 HG22 THR A 74 -2.711 7.598 16.346 1.00 0.43 H new ATOM 0 HG23 THR A 74 -3.620 7.890 14.844 1.00 0.43 H new ATOM 870 N ARG A 75 -0.618 6.781 16.560 1.00 12.41 N ATOM 871 CA ARG A 75 0.270 7.016 17.692 1.00 63.40 C ATOM 872 C ARG A 75 0.688 5.697 18.337 1.00 41.40 C ATOM 873 O ARG A 75 -0.076 4.734 18.389 1.00 72.42 O ATOM 874 CB ARG A 75 -0.414 7.909 18.729 1.00 61.44 C ATOM 875 CG ARG A 75 0.066 9.351 18.702 1.00 71.40 C ATOM 876 CD ARG A 75 0.101 9.952 20.098 1.00 21.13 C ATOM 877 NE ARG A 75 0.077 11.412 20.066 1.00 23.33 N ATOM 878 CZ ARG A 75 1.147 12.159 19.819 1.00 24.11 C ATOM 879 NH1 ARG A 75 2.320 11.586 19.583 1.00 13.42 N ATOM 880 NH2 ARG A 75 1.046 13.482 19.807 1.00 31.11 N ATOM 0 H ARG A 75 -1.561 6.488 16.817 1.00 12.41 H new ATOM 0 HA ARG A 75 1.163 7.520 17.322 1.00 63.40 H new ATOM 0 HB2 ARG A 75 -1.490 7.890 18.559 1.00 61.44 H new ATOM 0 HB3 ARG A 75 -0.241 7.496 19.723 1.00 61.44 H new ATOM 0 HG2 ARG A 75 1.061 9.396 18.260 1.00 71.40 H new ATOM 0 HG3 ARG A 75 -0.592 9.943 18.066 1.00 71.40 H new ATOM 0 HD2 ARG A 75 -0.752 9.588 20.671 1.00 21.13 H new ATOM 0 HD3 ARG A 75 1.000 9.615 20.615 1.00 21.13 H new ATOM 0 HE ARG A 75 -0.810 11.884 20.243 1.00 23.33 H new ATOM 0 HH11 ARG A 75 2.402 10.569 19.591 1.00 13.42 H new ATOM 0 HH12 ARG A 75 3.140 12.162 19.394 1.00 13.42 H new ATOM 0 HH21 ARG A 75 0.146 13.926 19.988 1.00 31.11 H new ATOM 0 HH22 ARG A 75 1.869 14.055 19.617 1.00 31.11 H new ATOM 894 N PRO A 76 1.931 5.652 18.840 1.00 14.23 N ATOM 895 CA PRO A 76 2.478 4.458 19.491 1.00 42.11 C ATOM 896 C PRO A 76 1.818 4.176 20.836 1.00 14.30 C ATOM 897 O PRO A 76 2.311 3.369 21.624 1.00 44.41 O ATOM 898 CB PRO A 76 3.956 4.805 19.683 1.00 5.44 C ATOM 899 CG PRO A 76 3.993 6.294 19.729 1.00 11.01 C ATOM 900 CD PRO A 76 2.896 6.763 18.814 1.00 43.54 C ATOM 0 HA PRO A 76 2.310 3.558 18.899 1.00 42.11 H new ATOM 0 HB2 PRO A 76 4.348 4.371 20.603 1.00 5.44 H new ATOM 0 HB3 PRO A 76 4.563 4.419 18.864 1.00 5.44 H new ATOM 0 HG2 PRO A 76 3.836 6.657 20.745 1.00 11.01 H new ATOM 0 HG3 PRO A 76 4.962 6.671 19.402 1.00 11.01 H new ATOM 0 HD2 PRO A 76 2.448 7.692 19.167 1.00 43.54 H new ATOM 0 HD3 PRO A 76 3.266 6.950 17.806 1.00 43.54 H new ATOM 908 N ASP A 77 0.699 4.846 21.092 1.00 21.42 N ATOM 909 CA ASP A 77 -0.030 4.666 22.342 1.00 33.31 C ATOM 910 C ASP A 77 -1.063 3.551 22.213 1.00 74.21 C ATOM 911 O ASP A 77 -2.066 3.534 22.925 1.00 55.51 O ATOM 912 CB ASP A 77 -0.718 5.970 22.749 1.00 43.25 C ATOM 913 CG ASP A 77 0.171 6.851 23.605 1.00 62.42 C ATOM 914 OD1 ASP A 77 0.600 6.390 24.683 1.00 22.20 O ATOM 915 OD2 ASP A 77 0.437 8.001 23.197 1.00 22.10 O ATOM 0 H ASP A 77 0.278 5.518 20.451 1.00 21.42 H new ATOM 0 HA ASP A 77 0.687 4.386 23.114 1.00 33.31 H new ATOM 0 HB2 ASP A 77 -1.012 6.517 21.853 1.00 43.25 H new ATOM 0 HB3 ASP A 77 -1.632 5.740 23.297 1.00 43.25 H new ATOM 920 N GLY A 78 -0.811 2.620 21.298 1.00 61.15 N ATOM 921 CA GLY A 78 -1.729 1.515 21.091 1.00 64.14 C ATOM 922 C GLY A 78 -2.894 1.889 20.197 1.00 74.10 C ATOM 923 O GLY A 78 -3.638 1.022 19.737 1.00 63.45 O ATOM 0 H GLY A 78 0.013 2.611 20.696 1.00 61.15 H new ATOM 0 HA2 GLY A 78 -1.190 0.677 20.649 1.00 64.14 H new ATOM 0 HA3 GLY A 78 -2.109 1.177 22.055 1.00 64.14 H new ATOM 927 N THR A 79 -3.058 3.185 19.951 1.00 44.30 N ATOM 928 CA THR A 79 -4.143 3.673 19.109 1.00 22.22 C ATOM 929 C THR A 79 -3.664 3.920 17.683 1.00 31.51 C ATOM 930 O THR A 79 -2.970 4.900 17.412 1.00 33.30 O ATOM 931 CB THR A 79 -4.746 4.975 19.669 1.00 51.14 C ATOM 932 OG1 THR A 79 -3.830 6.059 19.481 1.00 2.44 O ATOM 933 CG2 THR A 79 -5.072 4.829 21.147 1.00 4.14 C ATOM 0 H THR A 79 -2.452 3.916 20.324 1.00 44.30 H new ATOM 0 HA THR A 79 -4.911 2.899 19.102 1.00 22.22 H new ATOM 0 HB THR A 79 -5.670 5.183 19.129 1.00 51.14 H new ATOM 0 HG1 THR A 79 -3.072 5.756 18.939 1.00 2.44 H new ATOM 0 HG21 THR A 79 -5.496 5.761 21.520 1.00 4.14 H new ATOM 0 HG22 THR A 79 -5.792 4.022 21.283 1.00 4.14 H new ATOM 0 HG23 THR A 79 -4.161 4.599 21.699 1.00 4.14 H new ATOM 941 N ARG A 80 -4.039 3.025 16.775 1.00 74.12 N ATOM 942 CA ARG A 80 -3.648 3.146 15.376 1.00 65.12 C ATOM 943 C ARG A 80 -4.803 2.771 14.453 1.00 34.50 C ATOM 944 O ARG A 80 -5.763 2.125 14.874 1.00 15.21 O ATOM 945 CB ARG A 80 -2.438 2.256 15.084 1.00 31.30 C ATOM 946 CG ARG A 80 -2.624 0.812 15.523 1.00 52.41 C ATOM 947 CD ARG A 80 -1.328 0.025 15.411 1.00 32.32 C ATOM 948 NE ARG A 80 -0.164 0.833 15.763 1.00 51.54 N ATOM 949 CZ ARG A 80 0.127 1.201 17.005 1.00 25.14 C ATOM 950 NH1 ARG A 80 -0.656 0.833 18.010 1.00 42.31 N ATOM 951 NH2 ARG A 80 1.205 1.937 17.245 1.00 10.23 N ATOM 0 H ARG A 80 -4.613 2.208 16.983 1.00 74.12 H new ATOM 0 HA ARG A 80 -3.380 4.186 15.189 1.00 65.12 H new ATOM 0 HB2 ARG A 80 -2.231 2.278 14.014 1.00 31.30 H new ATOM 0 HB3 ARG A 80 -1.564 2.670 15.586 1.00 31.30 H new ATOM 0 HG2 ARG A 80 -2.979 0.787 16.553 1.00 52.41 H new ATOM 0 HG3 ARG A 80 -3.392 0.340 14.910 1.00 52.41 H new ATOM 0 HD2 ARG A 80 -1.375 -0.846 16.065 1.00 32.32 H new ATOM 0 HD3 ARG A 80 -1.217 -0.346 14.392 1.00 32.32 H new ATOM 0 HE ARG A 80 0.460 1.131 15.013 1.00 51.54 H new ATOM 0 HH11 ARG A 80 -1.484 0.266 17.830 1.00 42.31 H new ATOM 0 HH12 ARG A 80 -0.430 1.117 18.963 1.00 42.31 H new ATOM 0 HH21 ARG A 80 1.811 2.220 16.475 1.00 10.23 H new ATOM 0 HH22 ARG A 80 1.428 2.219 18.200 1.00 10.23 H new ATOM 965 N VAL A 81 -4.704 3.180 13.192 1.00 32.32 N ATOM 966 CA VAL A 81 -5.740 2.886 12.209 1.00 14.34 C ATOM 967 C VAL A 81 -5.212 1.973 11.109 1.00 23.45 C ATOM 968 O VAL A 81 -4.533 2.424 10.188 1.00 63.21 O ATOM 969 CB VAL A 81 -6.290 4.176 11.571 1.00 65.23 C ATOM 970 CG1 VAL A 81 -7.439 3.857 10.626 1.00 24.25 C ATOM 971 CG2 VAL A 81 -6.729 5.157 12.646 1.00 14.25 C ATOM 0 H VAL A 81 -3.917 3.716 12.827 1.00 32.32 H new ATOM 0 HA VAL A 81 -6.546 2.380 12.741 1.00 14.34 H new ATOM 0 HB VAL A 81 -5.493 4.642 10.991 1.00 65.23 H new ATOM 0 HG11 VAL A 81 -7.814 4.780 10.185 1.00 24.25 H new ATOM 0 HG12 VAL A 81 -7.087 3.194 9.836 1.00 24.25 H new ATOM 0 HG13 VAL A 81 -8.240 3.367 11.180 1.00 24.25 H new ATOM 0 HG21 VAL A 81 -7.115 6.062 12.177 1.00 14.25 H new ATOM 0 HG22 VAL A 81 -7.510 4.703 13.256 1.00 14.25 H new ATOM 0 HG23 VAL A 81 -5.877 5.410 13.277 1.00 14.25 H new ATOM 981 N GLU A 82 -5.529 0.686 11.213 1.00 24.33 N ATOM 982 CA GLU A 82 -5.085 -0.292 10.227 1.00 44.35 C ATOM 983 C GLU A 82 -6.034 -0.329 9.032 1.00 2.13 C ATOM 984 O GLU A 82 -7.204 -0.686 9.166 1.00 72.50 O ATOM 985 CB GLU A 82 -4.989 -1.681 10.860 1.00 73.54 C ATOM 986 CG GLU A 82 -4.631 -2.778 9.870 1.00 1.34 C ATOM 987 CD GLU A 82 -5.831 -3.610 9.462 1.00 42.34 C ATOM 988 OE1 GLU A 82 -6.710 -3.844 10.316 1.00 14.44 O ATOM 989 OE2 GLU A 82 -5.890 -4.027 8.286 1.00 41.22 O ATOM 0 H GLU A 82 -6.091 0.297 11.970 1.00 24.33 H new ATOM 0 HA GLU A 82 -4.098 0.007 9.876 1.00 44.35 H new ATOM 0 HB2 GLU A 82 -4.240 -1.659 11.652 1.00 73.54 H new ATOM 0 HB3 GLU A 82 -5.942 -1.924 11.329 1.00 73.54 H new ATOM 0 HG2 GLU A 82 -4.186 -2.330 8.982 1.00 1.34 H new ATOM 0 HG3 GLU A 82 -3.876 -3.428 10.311 1.00 1.34 H new ATOM 996 N VAL A 83 -5.521 0.044 7.864 1.00 24.11 N ATOM 997 CA VAL A 83 -6.321 0.053 6.645 1.00 0.24 C ATOM 998 C VAL A 83 -6.005 -1.155 5.771 1.00 20.22 C ATOM 999 O VAL A 83 -4.958 -1.211 5.125 1.00 30.03 O ATOM 1000 CB VAL A 83 -6.087 1.339 5.830 1.00 65.53 C ATOM 1001 CG1 VAL A 83 -7.387 1.819 5.205 1.00 54.30 C ATOM 1002 CG2 VAL A 83 -5.474 2.421 6.706 1.00 73.10 C ATOM 0 H VAL A 83 -4.555 0.344 7.736 1.00 24.11 H new ATOM 0 HA VAL A 83 -7.366 0.011 6.952 1.00 0.24 H new ATOM 0 HB VAL A 83 -5.386 1.116 5.025 1.00 65.53 H new ATOM 0 HG11 VAL A 83 -7.202 2.728 4.633 1.00 54.30 H new ATOM 0 HG12 VAL A 83 -7.779 1.047 4.542 1.00 54.30 H new ATOM 0 HG13 VAL A 83 -8.114 2.026 5.991 1.00 54.30 H new ATOM 0 HG21 VAL A 83 -5.316 3.322 6.114 1.00 73.10 H new ATOM 0 HG22 VAL A 83 -6.148 2.644 7.533 1.00 73.10 H new ATOM 0 HG23 VAL A 83 -4.519 2.073 7.099 1.00 73.10 H new ATOM 1012 N HIS A 84 -6.917 -2.122 5.755 1.00 55.31 N ATOM 1013 CA HIS A 84 -6.737 -3.330 4.958 1.00 22.23 C ATOM 1014 C HIS A 84 -7.178 -3.101 3.516 1.00 71.21 C ATOM 1015 O HIS A 84 -8.311 -2.692 3.260 1.00 74.22 O ATOM 1016 CB HIS A 84 -7.525 -4.490 5.567 1.00 32.21 C ATOM 1017 CG HIS A 84 -6.802 -5.801 5.511 1.00 51.41 C ATOM 1018 ND1 HIS A 84 -6.813 -6.711 6.546 1.00 20.24 N ATOM 1019 CD2 HIS A 84 -6.045 -6.353 4.534 1.00 5.44 C ATOM 1020 CE1 HIS A 84 -6.092 -7.766 6.210 1.00 41.30 C ATOM 1021 NE2 HIS A 84 -5.615 -7.573 4.993 1.00 22.44 N ATOM 0 H HIS A 84 -7.788 -2.092 6.285 1.00 55.31 H new ATOM 0 HA HIS A 84 -5.676 -3.581 4.959 1.00 22.23 H new ATOM 0 HB2 HIS A 84 -7.755 -4.256 6.606 1.00 32.21 H new ATOM 0 HB3 HIS A 84 -8.476 -4.587 5.044 1.00 32.21 H new ATOM 0 HD1 HIS A 84 -7.302 -6.589 7.433 1.00 20.24 H new ATOM 0 HD2 HIS A 84 -5.821 -5.915 3.572 1.00 5.44 H new ATOM 0 HE1 HIS A 84 -5.922 -8.637 6.825 1.00 41.30 H new ATOM 1029 N LEU A 85 -6.276 -3.366 2.577 1.00 32.44 N ATOM 1030 CA LEU A 85 -6.572 -3.189 1.160 1.00 50.41 C ATOM 1031 C LEU A 85 -6.639 -4.534 0.445 1.00 71.23 C ATOM 1032 O LEU A 85 -5.627 -5.218 0.291 1.00 1.11 O ATOM 1033 CB LEU A 85 -5.511 -2.302 0.505 1.00 74.23 C ATOM 1034 CG LEU A 85 -5.066 -2.714 -0.899 1.00 30.42 C ATOM 1035 CD1 LEU A 85 -4.891 -1.490 -1.784 1.00 64.32 C ATOM 1036 CD2 LEU A 85 -3.775 -3.518 -0.834 1.00 52.33 C ATOM 0 H LEU A 85 -5.334 -3.704 2.772 1.00 32.44 H new ATOM 0 HA LEU A 85 -7.545 -2.705 1.075 1.00 50.41 H new ATOM 0 HB2 LEU A 85 -5.896 -1.283 0.458 1.00 74.23 H new ATOM 0 HB3 LEU A 85 -4.634 -2.282 1.151 1.00 74.23 H new ATOM 0 HG LEU A 85 -5.841 -3.344 -1.336 1.00 30.42 H new ATOM 0 HD11 LEU A 85 -4.574 -1.803 -2.779 1.00 64.32 H new ATOM 0 HD12 LEU A 85 -5.838 -0.955 -1.856 1.00 64.32 H new ATOM 0 HD13 LEU A 85 -4.135 -0.834 -1.352 1.00 64.32 H new ATOM 0 HD21 LEU A 85 -3.473 -3.803 -1.842 1.00 52.33 H new ATOM 0 HD22 LEU A 85 -2.992 -2.912 -0.378 1.00 52.33 H new ATOM 0 HD23 LEU A 85 -3.935 -4.415 -0.236 1.00 52.33 H new ATOM 1048 N ASP A 86 -7.837 -4.907 0.008 1.00 40.12 N ATOM 1049 CA ASP A 86 -8.036 -6.169 -0.695 1.00 20.34 C ATOM 1050 C ASP A 86 -8.734 -5.943 -2.032 1.00 14.13 C ATOM 1051 O ASP A 86 -9.887 -5.513 -2.076 1.00 74.41 O ATOM 1052 CB ASP A 86 -8.855 -7.133 0.166 1.00 42.30 C ATOM 1053 CG ASP A 86 -8.945 -6.684 1.611 1.00 31.13 C ATOM 1054 OD1 ASP A 86 -7.884 -6.532 2.253 1.00 34.01 O ATOM 1055 OD2 ASP A 86 -10.076 -6.484 2.100 1.00 34.24 O ATOM 0 H ASP A 86 -8.685 -4.353 0.128 1.00 40.12 H new ATOM 0 HA ASP A 86 -7.057 -6.608 -0.887 1.00 20.34 H new ATOM 0 HB2 ASP A 86 -9.860 -7.221 -0.247 1.00 42.30 H new ATOM 0 HB3 ASP A 86 -8.405 -8.125 0.124 1.00 42.30 H new ATOM 1060 N ARG A 87 -8.028 -6.234 -3.119 1.00 50.33 N ATOM 1061 CA ARG A 87 -8.579 -6.060 -4.458 1.00 14.44 C ATOM 1062 C ARG A 87 -9.621 -7.133 -4.760 1.00 62.04 C ATOM 1063 O ARG A 87 -10.206 -7.156 -5.843 1.00 73.12 O ATOM 1064 CB ARG A 87 -7.463 -6.108 -5.502 1.00 51.25 C ATOM 1065 CG ARG A 87 -7.573 -5.024 -6.562 1.00 54.40 C ATOM 1066 CD ARG A 87 -7.895 -5.610 -7.928 1.00 21.03 C ATOM 1067 NE ARG A 87 -7.896 -4.591 -8.974 1.00 72.42 N ATOM 1068 CZ ARG A 87 -8.541 -4.724 -10.128 1.00 64.22 C ATOM 1069 NH1 ARG A 87 -9.232 -5.827 -10.382 1.00 52.51 N ATOM 1070 NH2 ARG A 87 -8.494 -3.753 -11.031 1.00 14.31 N ATOM 0 H ARG A 87 -7.073 -6.591 -3.099 1.00 50.33 H new ATOM 0 HA ARG A 87 -9.064 -5.085 -4.501 1.00 14.44 H new ATOM 0 HB2 ARG A 87 -6.501 -6.015 -4.998 1.00 51.25 H new ATOM 0 HB3 ARG A 87 -7.474 -7.083 -5.989 1.00 51.25 H new ATOM 0 HG2 ARG A 87 -8.349 -4.313 -6.278 1.00 54.40 H new ATOM 0 HG3 ARG A 87 -6.636 -4.469 -6.615 1.00 54.40 H new ATOM 0 HD2 ARG A 87 -7.164 -6.381 -8.173 1.00 21.03 H new ATOM 0 HD3 ARG A 87 -8.870 -6.095 -7.894 1.00 21.03 H new ATOM 0 HE ARG A 87 -7.373 -3.731 -8.810 1.00 72.42 H new ATOM 0 HH11 ARG A 87 -9.269 -6.576 -9.691 1.00 52.51 H new ATOM 0 HH12 ARG A 87 -9.726 -5.926 -11.269 1.00 52.51 H new ATOM 0 HH21 ARG A 87 -7.962 -2.904 -10.840 1.00 14.31 H new ATOM 0 HH22 ARG A 87 -8.989 -3.856 -11.917 1.00 14.31 H new ATOM 1084 N ASP A 88 -9.846 -8.020 -3.797 1.00 42.14 N ATOM 1085 CA ASP A 88 -10.817 -9.096 -3.960 1.00 43.23 C ATOM 1086 C ASP A 88 -12.242 -8.560 -3.867 1.00 70.20 C ATOM 1087 O ASP A 88 -13.189 -9.205 -4.317 1.00 34.35 O ATOM 1088 CB ASP A 88 -10.594 -10.177 -2.901 1.00 55.33 C ATOM 1089 CG ASP A 88 -11.396 -11.433 -3.180 1.00 22.34 C ATOM 1090 OD1 ASP A 88 -12.024 -11.510 -4.256 1.00 10.50 O ATOM 1091 OD2 ASP A 88 -11.395 -12.340 -2.321 1.00 34.13 O ATOM 0 H ASP A 88 -9.369 -8.015 -2.895 1.00 42.14 H new ATOM 0 HA ASP A 88 -10.677 -9.533 -4.949 1.00 43.23 H new ATOM 0 HB2 ASP A 88 -9.534 -10.428 -2.859 1.00 55.33 H new ATOM 0 HB3 ASP A 88 -10.868 -9.784 -1.922 1.00 55.33 H new ATOM 1096 N PHE A 89 -12.387 -7.377 -3.280 1.00 2.04 N ATOM 1097 CA PHE A 89 -13.697 -6.755 -3.125 1.00 62.33 C ATOM 1098 C PHE A 89 -13.617 -5.539 -2.208 1.00 2.33 C ATOM 1099 O PHE A 89 -14.305 -4.540 -2.422 1.00 24.34 O ATOM 1100 CB PHE A 89 -14.701 -7.765 -2.566 1.00 13.11 C ATOM 1101 CG PHE A 89 -14.133 -8.640 -1.486 1.00 21.50 C ATOM 1102 CD1 PHE A 89 -13.865 -8.126 -0.228 1.00 13.13 C ATOM 1103 CD2 PHE A 89 -13.866 -9.978 -1.729 1.00 64.14 C ATOM 1104 CE1 PHE A 89 -13.343 -8.929 0.769 1.00 64.05 C ATOM 1105 CE2 PHE A 89 -13.343 -10.786 -0.737 1.00 74.11 C ATOM 1106 CZ PHE A 89 -13.080 -10.261 0.513 1.00 53.31 C ATOM 0 H PHE A 89 -11.613 -6.829 -2.904 1.00 2.04 H new ATOM 0 HA PHE A 89 -14.033 -6.425 -4.108 1.00 62.33 H new ATOM 0 HB2 PHE A 89 -15.563 -7.228 -2.171 1.00 13.11 H new ATOM 0 HB3 PHE A 89 -15.063 -8.394 -3.379 1.00 13.11 H new ATOM 0 HD1 PHE A 89 -14.066 -7.085 -0.023 1.00 13.13 H new ATOM 0 HD2 PHE A 89 -14.069 -10.394 -2.705 1.00 64.14 H new ATOM 0 HE1 PHE A 89 -13.141 -8.516 1.746 1.00 64.05 H new ATOM 0 HE2 PHE A 89 -13.140 -11.827 -0.939 1.00 74.11 H new ATOM 0 HZ PHE A 89 -12.670 -10.890 1.289 1.00 53.31 H new ATOM 1116 N ARG A 90 -12.773 -5.631 -1.185 1.00 42.22 N ATOM 1117 CA ARG A 90 -12.604 -4.539 -0.234 1.00 24.44 C ATOM 1118 C ARG A 90 -11.172 -4.012 -0.260 1.00 21.32 C ATOM 1119 O ARG A 90 -10.417 -4.187 0.697 1.00 12.01 O ATOM 1120 CB ARG A 90 -12.961 -5.006 1.179 1.00 41.11 C ATOM 1121 CG ARG A 90 -14.456 -5.031 1.452 1.00 21.20 C ATOM 1122 CD ARG A 90 -14.993 -3.638 1.741 1.00 20.21 C ATOM 1123 NE ARG A 90 -15.389 -3.483 3.138 1.00 31.42 N ATOM 1124 CZ ARG A 90 -15.670 -2.311 3.697 1.00 23.40 C ATOM 1125 NH1 ARG A 90 -15.598 -1.198 2.981 1.00 55.21 N ATOM 1126 NH2 ARG A 90 -16.023 -2.252 4.975 1.00 50.24 N ATOM 0 H ARG A 90 -12.196 -6.450 -0.994 1.00 42.22 H new ATOM 0 HA ARG A 90 -13.276 -3.731 -0.524 1.00 24.44 H new ATOM 0 HB2 ARG A 90 -12.555 -6.005 1.336 1.00 41.11 H new ATOM 0 HB3 ARG A 90 -12.479 -4.349 1.903 1.00 41.11 H new ATOM 0 HG2 ARG A 90 -14.977 -5.452 0.592 1.00 21.20 H new ATOM 0 HG3 ARG A 90 -14.661 -5.684 2.300 1.00 21.20 H new ATOM 0 HD2 ARG A 90 -14.231 -2.898 1.496 1.00 20.21 H new ATOM 0 HD3 ARG A 90 -15.850 -3.439 1.097 1.00 20.21 H new ATOM 0 HE ARG A 90 -15.453 -4.321 3.716 1.00 31.42 H new ATOM 0 HH11 ARG A 90 -15.326 -1.240 1.999 1.00 55.21 H new ATOM 0 HH12 ARG A 90 -15.814 -0.299 3.412 1.00 55.21 H new ATOM 0 HH21 ARG A 90 -16.079 -3.107 5.529 1.00 50.24 H new ATOM 0 HH22 ARG A 90 -16.239 -1.352 5.404 1.00 50.24 H new ATOM 1140 N VAL A 91 -10.804 -3.367 -1.362 1.00 54.12 N ATOM 1141 CA VAL A 91 -9.464 -2.814 -1.513 1.00 42.33 C ATOM 1142 C VAL A 91 -9.181 -1.760 -0.449 1.00 11.41 C ATOM 1143 O VAL A 91 -8.033 -1.364 -0.240 1.00 73.32 O ATOM 1144 CB VAL A 91 -9.269 -2.186 -2.906 1.00 55.03 C ATOM 1145 CG1 VAL A 91 -7.807 -2.247 -3.320 1.00 51.03 C ATOM 1146 CG2 VAL A 91 -10.152 -2.882 -3.932 1.00 1.23 C ATOM 0 H VAL A 91 -11.416 -3.215 -2.164 1.00 54.12 H new ATOM 0 HA VAL A 91 -8.765 -3.642 -1.395 1.00 42.33 H new ATOM 0 HB VAL A 91 -9.564 -1.138 -2.857 1.00 55.03 H new ATOM 0 HG11 VAL A 91 -7.689 -1.799 -4.307 1.00 51.03 H new ATOM 0 HG12 VAL A 91 -7.201 -1.700 -2.598 1.00 51.03 H new ATOM 0 HG13 VAL A 91 -7.481 -3.287 -3.353 1.00 51.03 H new ATOM 0 HG21 VAL A 91 -10.002 -2.426 -4.911 1.00 1.23 H new ATOM 0 HG22 VAL A 91 -9.890 -3.939 -3.980 1.00 1.23 H new ATOM 0 HG23 VAL A 91 -11.197 -2.780 -3.641 1.00 1.23 H new ATOM 1156 N LEU A 92 -10.234 -1.308 0.223 1.00 54.34 N ATOM 1157 CA LEU A 92 -10.100 -0.299 1.268 1.00 53.45 C ATOM 1158 C LEU A 92 -10.707 -0.788 2.578 1.00 14.04 C ATOM 1159 O LEU A 92 -11.229 0.002 3.366 1.00 63.02 O ATOM 1160 CB LEU A 92 -10.775 1.005 0.835 1.00 23.50 C ATOM 1161 CG LEU A 92 -12.163 0.866 0.210 1.00 14.41 C ATOM 1162 CD1 LEU A 92 -12.052 0.523 -1.267 1.00 52.12 C ATOM 1163 CD2 LEU A 92 -12.976 -0.189 0.945 1.00 33.41 C ATOM 0 H LEU A 92 -11.190 -1.624 0.063 1.00 54.34 H new ATOM 0 HA LEU A 92 -9.037 -0.116 1.428 1.00 53.45 H new ATOM 0 HB2 LEU A 92 -10.854 1.656 1.705 1.00 23.50 H new ATOM 0 HB3 LEU A 92 -10.125 1.507 0.119 1.00 23.50 H new ATOM 0 HG LEU A 92 -12.679 1.822 0.302 1.00 14.41 H new ATOM 0 HD11 LEU A 92 -13.050 0.428 -1.695 1.00 52.12 H new ATOM 0 HD12 LEU A 92 -11.509 1.314 -1.784 1.00 52.12 H new ATOM 0 HD13 LEU A 92 -11.517 -0.420 -1.382 1.00 52.12 H new ATOM 0 HD21 LEU A 92 -13.961 -0.274 0.486 1.00 33.41 H new ATOM 0 HD22 LEU A 92 -12.464 -1.149 0.886 1.00 33.41 H new ATOM 0 HD23 LEU A 92 -13.086 0.100 1.990 1.00 33.41 H new ATOM 1175 N ASP A 93 -10.634 -2.095 2.807 1.00 54.44 N ATOM 1176 CA ASP A 93 -11.174 -2.689 4.024 1.00 62.51 C ATOM 1177 C ASP A 93 -10.401 -2.214 5.250 1.00 65.00 C ATOM 1178 O ASP A 93 -9.522 -2.914 5.754 1.00 64.32 O ATOM 1179 CB ASP A 93 -11.126 -4.216 3.936 1.00 50.33 C ATOM 1180 CG ASP A 93 -12.453 -4.858 4.290 1.00 1.10 C ATOM 1181 OD1 ASP A 93 -13.262 -4.204 4.980 1.00 33.23 O ATOM 1182 OD2 ASP A 93 -12.681 -6.015 3.878 1.00 55.53 O ATOM 0 H ASP A 93 -10.206 -2.763 2.166 1.00 54.44 H new ATOM 0 HA ASP A 93 -12.212 -2.370 4.125 1.00 62.51 H new ATOM 0 HB2 ASP A 93 -10.841 -4.510 2.926 1.00 50.33 H new ATOM 0 HB3 ASP A 93 -10.353 -4.592 4.607 1.00 50.33 H new ATOM 1187 N THR A 94 -10.733 -1.018 5.726 1.00 44.23 N ATOM 1188 CA THR A 94 -10.068 -0.447 6.891 1.00 74.42 C ATOM 1189 C THR A 94 -10.624 -1.035 8.183 1.00 62.20 C ATOM 1190 O THR A 94 -11.773 -1.473 8.232 1.00 2.33 O ATOM 1191 CB THR A 94 -10.221 1.085 6.930 1.00 23.11 C ATOM 1192 OG1 THR A 94 -9.327 1.641 7.901 1.00 14.32 O ATOM 1193 CG2 THR A 94 -11.651 1.478 7.266 1.00 54.12 C ATOM 0 H THR A 94 -11.459 -0.426 5.322 1.00 44.23 H new ATOM 0 HA THR A 94 -9.010 -0.697 6.806 1.00 74.42 H new ATOM 0 HB THR A 94 -9.976 1.478 5.943 1.00 23.11 H new ATOM 0 HG1 THR A 94 -9.429 2.616 7.919 1.00 14.32 H new ATOM 0 HG21 THR A 94 -11.734 2.565 7.288 1.00 54.12 H new ATOM 0 HG22 THR A 94 -12.326 1.077 6.509 1.00 54.12 H new ATOM 0 HG23 THR A 94 -11.920 1.074 8.242 1.00 54.12 H new ATOM 1201 N GLU A 95 -9.801 -1.041 9.227 1.00 63.21 N ATOM 1202 CA GLU A 95 -10.212 -1.576 10.520 1.00 64.13 C ATOM 1203 C GLU A 95 -9.515 -0.839 11.660 1.00 51.42 C ATOM 1204 O GLU A 95 -8.296 -0.669 11.670 1.00 63.12 O ATOM 1205 CB GLU A 95 -9.900 -3.072 10.600 1.00 73.00 C ATOM 1206 CG GLU A 95 -10.922 -3.864 11.399 1.00 65.33 C ATOM 1207 CD GLU A 95 -10.987 -5.320 10.980 1.00 34.22 C ATOM 1208 OE1 GLU A 95 -10.203 -5.718 10.094 1.00 62.04 O ATOM 1209 OE2 GLU A 95 -11.823 -6.061 11.538 1.00 30.43 O ATOM 0 H GLU A 95 -8.847 -0.682 9.203 1.00 63.21 H new ATOM 0 HA GLU A 95 -11.288 -1.430 10.620 1.00 64.13 H new ATOM 0 HB2 GLU A 95 -9.847 -3.478 9.590 1.00 73.00 H new ATOM 0 HB3 GLU A 95 -8.916 -3.206 11.050 1.00 73.00 H new ATOM 0 HG2 GLU A 95 -10.674 -3.805 12.459 1.00 65.33 H new ATOM 0 HG3 GLU A 95 -11.905 -3.410 11.276 1.00 65.33 H new ATOM 1216 N PRO A 96 -10.307 -0.388 12.644 1.00 75.40 N ATOM 1217 CA PRO A 96 -9.790 0.338 13.807 1.00 1.21 C ATOM 1218 C PRO A 96 -8.979 -0.558 14.737 1.00 70.11 C ATOM 1219 O PRO A 96 -9.460 -1.597 15.188 1.00 31.01 O ATOM 1220 CB PRO A 96 -11.057 0.831 14.510 1.00 31.13 C ATOM 1221 CG PRO A 96 -12.118 -0.130 14.097 1.00 24.54 C ATOM 1222 CD PRO A 96 -11.770 -0.555 12.697 1.00 4.43 C ATOM 0 HA PRO A 96 -9.108 1.138 13.518 1.00 1.21 H new ATOM 0 HB2 PRO A 96 -10.931 0.840 15.593 1.00 31.13 H new ATOM 0 HB3 PRO A 96 -11.306 1.849 14.209 1.00 31.13 H new ATOM 0 HG2 PRO A 96 -12.150 -0.988 14.769 1.00 24.54 H new ATOM 0 HG3 PRO A 96 -13.102 0.338 14.130 1.00 24.54 H new ATOM 0 HD2 PRO A 96 -12.064 -1.587 12.505 1.00 4.43 H new ATOM 0 HD3 PRO A 96 -12.272 0.063 11.953 1.00 4.43 H new ATOM 1230 N ALA A 97 -7.747 -0.149 15.020 1.00 44.14 N ATOM 1231 CA ALA A 97 -6.870 -0.914 15.898 1.00 53.02 C ATOM 1232 C ALA A 97 -6.553 -0.136 17.170 1.00 11.13 C ATOM 1233 O ALA A 97 -5.817 0.851 17.139 1.00 72.40 O ATOM 1234 CB ALA A 97 -5.587 -1.285 15.170 1.00 43.32 C ATOM 0 H ALA A 97 -7.333 0.708 14.654 1.00 44.14 H new ATOM 0 HA ALA A 97 -7.390 -1.829 16.183 1.00 53.02 H new ATOM 0 HB1 ALA A 97 -4.942 -1.856 15.838 1.00 43.32 H new ATOM 0 HB2 ALA A 97 -5.827 -1.888 14.294 1.00 43.32 H new ATOM 0 HB3 ALA A 97 -5.072 -0.377 14.856 1.00 43.32 H new ATOM 1240 N ASP A 98 -7.113 -0.585 18.288 1.00 73.31 N ATOM 1241 CA ASP A 98 -6.890 0.069 19.572 1.00 63.01 C ATOM 1242 C ASP A 98 -5.913 -0.732 20.427 1.00 33.33 C ATOM 1243 O ASP A 98 -5.876 -0.585 21.648 1.00 10.31 O ATOM 1244 CB ASP A 98 -8.214 0.245 20.316 1.00 31.55 C ATOM 1245 CG ASP A 98 -8.212 1.460 21.223 1.00 21.40 C ATOM 1246 OD1 ASP A 98 -7.143 1.779 21.784 1.00 31.21 O ATOM 1247 OD2 ASP A 98 -9.279 2.091 21.372 1.00 33.12 O ATOM 0 H ASP A 98 -7.725 -1.400 18.331 1.00 73.31 H new ATOM 0 HA ASP A 98 -6.457 1.051 19.382 1.00 63.01 H new ATOM 0 HB2 ASP A 98 -9.024 0.337 19.593 1.00 31.55 H new ATOM 0 HB3 ASP A 98 -8.415 -0.647 20.909 1.00 31.55 H new ATOM 1252 N GLY A 99 -5.124 -1.582 19.777 1.00 33.51 N ATOM 1253 CA GLY A 99 -4.159 -2.395 20.494 1.00 34.51 C ATOM 1254 C GLY A 99 -4.755 -3.698 20.992 1.00 4.51 C ATOM 1255 O GLY A 99 -4.028 -4.642 21.301 1.00 61.34 O ATOM 0 H GLY A 99 -5.136 -1.722 18.767 1.00 33.51 H new ATOM 0 HA2 GLY A 99 -3.314 -2.612 19.840 1.00 34.51 H new ATOM 0 HA3 GLY A 99 -3.770 -1.830 21.341 1.00 34.51 H new ATOM 1259 N ASP A 100 -6.080 -3.748 21.073 1.00 44.24 N ATOM 1260 CA ASP A 100 -6.773 -4.944 21.538 1.00 45.34 C ATOM 1261 C ASP A 100 -7.196 -5.818 20.362 1.00 60.34 C ATOM 1262 O ASP A 100 -7.047 -7.039 20.398 1.00 53.05 O ATOM 1263 CB ASP A 100 -7.997 -4.559 22.370 1.00 42.34 C ATOM 1264 CG ASP A 100 -7.630 -4.136 23.779 1.00 44.05 C ATOM 1265 OD1 ASP A 100 -6.511 -3.613 23.969 1.00 34.11 O ATOM 1266 OD2 ASP A 100 -8.461 -4.327 24.690 1.00 22.24 O ATOM 0 H ASP A 100 -6.696 -2.974 20.823 1.00 44.24 H new ATOM 0 HA ASP A 100 -6.084 -5.514 22.162 1.00 45.34 H new ATOM 0 HB2 ASP A 100 -8.527 -3.745 21.876 1.00 42.34 H new ATOM 0 HB3 ASP A 100 -8.683 -5.405 22.415 1.00 42.34 H new ATOM 1271 N GLY A 101 -7.726 -5.184 19.320 1.00 64.55 N ATOM 1272 CA GLY A 101 -8.164 -5.920 18.148 1.00 64.40 C ATOM 1273 C GLY A 101 -9.520 -6.568 18.344 1.00 53.43 C ATOM 1274 O GLY A 101 -9.820 -7.593 17.734 1.00 74.20 O ATOM 0 H GLY A 101 -7.860 -4.174 19.267 1.00 64.55 H new ATOM 0 HA2 GLY A 101 -8.208 -5.244 17.294 1.00 64.40 H new ATOM 0 HA3 GLY A 101 -7.429 -6.688 17.909 1.00 64.40 H new ATOM 1278 N GLY A 102 -10.343 -5.968 19.199 1.00 41.31 N ATOM 1279 CA GLY A 102 -11.665 -6.507 19.460 1.00 64.35 C ATOM 1280 C GLY A 102 -11.614 -7.862 20.137 1.00 33.23 C ATOM 1281 O GLY A 102 -10.605 -8.562 20.065 1.00 25.45 O ATOM 0 H GLY A 102 -10.118 -5.118 19.716 1.00 41.31 H new ATOM 0 HA2 GLY A 102 -12.221 -5.811 20.088 1.00 64.35 H new ATOM 0 HA3 GLY A 102 -12.211 -6.594 18.521 1.00 64.35 H new TER 1285 GLY A 102