USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 21 TYR OH : rot 180:sc= 0 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 -120:sc= -0.982 USER MOD Single : A 23 GLN : amide:sc= -0.345 X(o=-0.34,f=-0.36) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 157:sc= -2.63 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 60 THR OG1 : rot 46:sc= 0.21 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -46:sc= -5.1! USER MOD Single : A 79 THR OG1 : rot 52:sc= 0.801 USER MOD Single : A 84 HIS : no HE2:sc= -4.11 K(o=-4.1,f=-6.5!) USER MOD Single : A 94 THR OG1 : rot 158:sc= -1.51 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 -0.946 -0.003 -1.195 1.00 11.23 N ATOM 2 CA ASP A 11 -1.207 0.342 -2.588 1.00 2.15 C ATOM 3 C ASP A 11 -0.963 -0.857 -3.499 1.00 10.31 C ATOM 4 O ASP A 11 -1.258 -0.811 -4.694 1.00 22.15 O ATOM 5 CB ASP A 11 -0.324 1.514 -3.019 1.00 0.22 C ATOM 6 CG ASP A 11 1.089 1.081 -3.359 1.00 35.14 C ATOM 7 OD1 ASP A 11 1.918 0.984 -2.431 1.00 4.43 O ATOM 8 OD2 ASP A 11 1.364 0.839 -4.553 1.00 3.05 O ATOM 0 HA ASP A 11 -2.253 0.635 -2.675 1.00 2.15 H new ATOM 0 HB2 ASP A 11 -0.770 2.001 -3.886 1.00 0.22 H new ATOM 0 HB3 ASP A 11 -0.292 2.254 -2.219 1.00 0.22 H new ATOM 13 N TYR A 12 -0.422 -1.927 -2.928 1.00 35.22 N ATOM 14 CA TYR A 12 -0.136 -3.137 -3.689 1.00 64.04 C ATOM 15 C TYR A 12 -1.425 -3.807 -4.154 1.00 32.14 C ATOM 16 O TYR A 12 -1.415 -4.634 -5.066 1.00 1.13 O ATOM 17 CB TYR A 12 0.685 -4.114 -2.845 1.00 55.21 C ATOM 18 CG TYR A 12 1.946 -3.508 -2.273 1.00 22.11 C ATOM 19 CD1 TYR A 12 3.095 -3.389 -3.046 1.00 0.35 C ATOM 20 CD2 TYR A 12 1.990 -3.056 -0.960 1.00 21.31 C ATOM 21 CE1 TYR A 12 4.250 -2.837 -2.527 1.00 4.40 C ATOM 22 CE2 TYR A 12 3.141 -2.502 -0.433 1.00 55.55 C ATOM 23 CZ TYR A 12 4.268 -2.394 -1.221 1.00 30.13 C ATOM 24 OH TYR A 12 5.416 -1.843 -0.700 1.00 24.44 O ATOM 0 H TYR A 12 -0.173 -1.981 -1.940 1.00 35.22 H new ATOM 0 HA TYR A 12 0.442 -2.853 -4.569 1.00 64.04 H new ATOM 0 HB2 TYR A 12 0.066 -4.484 -2.027 1.00 55.21 H new ATOM 0 HB3 TYR A 12 0.951 -4.975 -3.458 1.00 55.21 H new ATOM 0 HD1 TYR A 12 3.085 -3.734 -4.069 1.00 0.35 H new ATOM 0 HD2 TYR A 12 1.109 -3.139 -0.340 1.00 21.31 H new ATOM 0 HE1 TYR A 12 5.135 -2.753 -3.141 1.00 4.40 H new ATOM 0 HE2 TYR A 12 3.158 -2.156 0.590 1.00 55.55 H new ATOM 0 HH TYR A 12 5.260 -1.581 0.231 1.00 24.44 H new ATOM 34 N ASP A 13 -2.534 -3.444 -3.519 1.00 54.43 N ATOM 35 CA ASP A 13 -3.834 -4.007 -3.867 1.00 23.10 C ATOM 36 C ASP A 13 -4.167 -3.742 -5.332 1.00 4.11 C ATOM 37 O ASP A 13 -3.684 -4.439 -6.224 1.00 62.53 O ATOM 38 CB ASP A 13 -4.924 -3.421 -2.969 1.00 33.30 C ATOM 39 CG ASP A 13 -4.783 -1.923 -2.788 1.00 44.34 C ATOM 40 OD1 ASP A 13 -3.699 -1.388 -3.102 1.00 41.31 O ATOM 41 OD2 ASP A 13 -5.755 -1.285 -2.332 1.00 60.04 O ATOM 0 H ASP A 13 -2.559 -2.762 -2.761 1.00 54.43 H new ATOM 0 HA ASP A 13 -3.788 -5.085 -3.713 1.00 23.10 H new ATOM 0 HB2 ASP A 13 -5.901 -3.642 -3.398 1.00 33.30 H new ATOM 0 HB3 ASP A 13 -4.887 -3.907 -1.994 1.00 33.30 H new ATOM 46 N ILE A 14 -4.995 -2.731 -5.571 1.00 42.23 N ATOM 47 CA ILE A 14 -5.392 -2.374 -6.928 1.00 21.04 C ATOM 48 C ILE A 14 -4.849 -1.003 -7.317 1.00 33.13 C ATOM 49 O ILE A 14 -4.430 -0.211 -6.472 1.00 73.21 O ATOM 50 CB ILE A 14 -6.924 -2.370 -7.083 1.00 32.20 C ATOM 51 CG1 ILE A 14 -7.598 -2.298 -5.711 1.00 4.30 C ATOM 52 CG2 ILE A 14 -7.383 -3.608 -7.839 1.00 41.14 C ATOM 53 CD1 ILE A 14 -9.087 -2.040 -5.781 1.00 65.55 C ATOM 0 H ILE A 14 -5.404 -2.145 -4.843 1.00 42.23 H new ATOM 0 HA ILE A 14 -4.970 -3.130 -7.590 1.00 21.04 H new ATOM 0 HB ILE A 14 -7.214 -1.489 -7.656 1.00 32.20 H new ATOM 0 HG12 ILE A 14 -7.424 -3.234 -5.181 1.00 4.30 H new ATOM 0 HG13 ILE A 14 -7.128 -1.508 -5.125 1.00 4.30 H new ATOM 0 HG21 ILE A 14 -8.468 -3.591 -7.941 1.00 41.14 H new ATOM 0 HG22 ILE A 14 -6.926 -3.620 -8.829 1.00 41.14 H new ATOM 0 HG23 ILE A 14 -7.084 -4.501 -7.290 1.00 41.14 H new ATOM 0 HD11 ILE A 14 -9.497 -2.002 -4.772 1.00 65.55 H new ATOM 0 HD12 ILE A 14 -9.268 -1.090 -6.283 1.00 65.55 H new ATOM 0 HD13 ILE A 14 -9.570 -2.843 -6.339 1.00 65.55 H new ATOM 65 N PRO A 15 -4.858 -0.713 -8.626 1.00 62.23 N ATOM 66 CA PRO A 15 -4.372 0.564 -9.158 1.00 31.34 C ATOM 67 C PRO A 15 -5.287 1.728 -8.794 1.00 3.41 C ATOM 68 O PRO A 15 -4.999 2.882 -9.116 1.00 31.12 O ATOM 69 CB PRO A 15 -4.368 0.339 -10.672 1.00 13.52 C ATOM 70 CG PRO A 15 -5.390 -0.720 -10.900 1.00 55.24 C ATOM 71 CD PRO A 15 -5.343 -1.610 -9.689 1.00 41.41 C ATOM 0 HA PRO A 15 -3.397 0.831 -8.751 1.00 31.34 H new ATOM 0 HB2 PRO A 15 -4.619 1.254 -11.209 1.00 13.52 H new ATOM 0 HB3 PRO A 15 -3.385 0.023 -11.023 1.00 13.52 H new ATOM 0 HG2 PRO A 15 -6.381 -0.285 -11.026 1.00 55.24 H new ATOM 0 HG3 PRO A 15 -5.172 -1.284 -11.807 1.00 55.24 H new ATOM 0 HD2 PRO A 15 -6.325 -2.019 -9.453 1.00 41.41 H new ATOM 0 HD3 PRO A 15 -4.672 -2.456 -9.838 1.00 41.41 H new ATOM 79 N THR A 16 -6.391 1.420 -8.120 1.00 44.22 N ATOM 80 CA THR A 16 -7.348 2.441 -7.713 1.00 42.13 C ATOM 81 C THR A 16 -7.957 2.113 -6.355 1.00 1.41 C ATOM 82 O THR A 16 -9.123 1.729 -6.262 1.00 13.45 O ATOM 83 CB THR A 16 -8.479 2.594 -8.747 1.00 54.21 C ATOM 84 OG1 THR A 16 -8.847 1.311 -9.265 1.00 65.33 O ATOM 85 CG2 THR A 16 -8.050 3.504 -9.889 1.00 32.35 C ATOM 0 H THR A 16 -6.644 0.471 -7.845 1.00 44.22 H new ATOM 0 HA THR A 16 -6.799 3.380 -7.644 1.00 42.13 H new ATOM 0 HB THR A 16 -9.338 3.044 -8.248 1.00 54.21 H new ATOM 0 HG1 THR A 16 -9.568 1.417 -9.920 1.00 65.33 H new ATOM 0 HG21 THR A 16 -8.865 3.597 -10.606 1.00 32.35 H new ATOM 0 HG22 THR A 16 -7.800 4.489 -9.495 1.00 32.35 H new ATOM 0 HG23 THR A 16 -7.177 3.079 -10.385 1.00 32.35 H new ATOM 93 N THR A 17 -7.161 2.268 -5.302 1.00 24.15 N ATOM 94 CA THR A 17 -7.621 1.988 -3.947 1.00 53.05 C ATOM 95 C THR A 17 -8.553 3.085 -3.446 1.00 55.01 C ATOM 96 O THR A 17 -8.988 3.941 -4.215 1.00 52.42 O ATOM 97 CB THR A 17 -6.439 1.848 -2.970 1.00 34.33 C ATOM 98 OG1 THR A 17 -5.994 3.143 -2.551 1.00 64.50 O ATOM 99 CG2 THR A 17 -5.288 1.094 -3.617 1.00 44.25 C ATOM 0 H THR A 17 -6.194 2.586 -5.361 1.00 24.15 H new ATOM 0 HA THR A 17 -8.164 1.043 -3.986 1.00 53.05 H new ATOM 0 HB THR A 17 -6.779 1.283 -2.102 1.00 34.33 H new ATOM 0 HG1 THR A 17 -5.056 3.265 -2.806 1.00 64.50 H new ATOM 0 HG21 THR A 17 -4.465 1.008 -2.908 1.00 44.25 H new ATOM 0 HG22 THR A 17 -5.623 0.098 -3.907 1.00 44.25 H new ATOM 0 HG23 THR A 17 -4.950 1.635 -4.501 1.00 44.25 H new ATOM 107 N GLU A 18 -8.856 3.053 -2.152 1.00 23.21 N ATOM 108 CA GLU A 18 -9.737 4.046 -1.549 1.00 71.30 C ATOM 109 C GLU A 18 -8.994 4.867 -0.500 1.00 2.43 C ATOM 110 O GLU A 18 -8.298 5.828 -0.827 1.00 22.42 O ATOM 111 CB GLU A 18 -10.951 3.364 -0.913 1.00 45.13 C ATOM 112 CG GLU A 18 -11.869 2.693 -1.921 1.00 22.12 C ATOM 113 CD GLU A 18 -13.084 3.536 -2.254 1.00 75.21 C ATOM 114 OE1 GLU A 18 -13.954 3.696 -1.372 1.00 50.51 O ATOM 115 OE2 GLU A 18 -13.167 4.034 -3.396 1.00 44.10 O ATOM 0 H GLU A 18 -8.504 2.350 -1.501 1.00 23.21 H new ATOM 0 HA GLU A 18 -10.078 4.718 -2.337 1.00 71.30 H new ATOM 0 HB2 GLU A 18 -10.605 2.619 -0.197 1.00 45.13 H new ATOM 0 HB3 GLU A 18 -11.521 4.105 -0.352 1.00 45.13 H new ATOM 0 HG2 GLU A 18 -11.311 2.489 -2.835 1.00 22.12 H new ATOM 0 HG3 GLU A 18 -12.196 1.731 -1.525 1.00 22.12 H new ATOM 122 N ASN A 19 -9.148 4.482 0.763 1.00 10.30 N ATOM 123 CA ASN A 19 -8.493 5.183 1.861 1.00 1.43 C ATOM 124 C ASN A 19 -7.017 4.805 1.945 1.00 52.22 C ATOM 125 O ASN A 19 -6.314 5.206 2.873 1.00 44.30 O ATOM 126 CB ASN A 19 -9.189 4.863 3.186 1.00 42.13 C ATOM 127 CG ASN A 19 -9.541 6.112 3.970 1.00 33.15 C ATOM 128 OD1 ASN A 19 -10.642 6.648 3.844 1.00 73.13 O ATOM 129 ND2 ASN A 19 -8.605 6.581 4.787 1.00 51.41 N ATOM 0 H ASN A 19 -9.721 3.689 1.051 1.00 10.30 H new ATOM 0 HA ASN A 19 -8.565 6.254 1.669 1.00 1.43 H new ATOM 0 HB2 ASN A 19 -10.097 4.294 2.988 1.00 42.13 H new ATOM 0 HB3 ASN A 19 -8.540 4.229 3.790 1.00 42.13 H new ATOM 0 HD21 ASN A 19 -8.785 7.418 5.342 1.00 51.41 H new ATOM 0 HD22 ASN A 19 -7.706 6.104 4.860 1.00 51.41 H new ATOM 136 N LEU A 20 -6.554 4.032 0.969 1.00 34.41 N ATOM 137 CA LEU A 20 -5.162 3.599 0.931 1.00 43.21 C ATOM 138 C LEU A 20 -4.264 4.703 0.382 1.00 45.10 C ATOM 139 O LEU A 20 -3.044 4.547 0.310 1.00 53.02 O ATOM 140 CB LEU A 20 -5.022 2.339 0.075 1.00 44.21 C ATOM 141 CG LEU A 20 -4.212 1.197 0.689 1.00 22.12 C ATOM 142 CD1 LEU A 20 -4.891 0.678 1.947 1.00 23.41 C ATOM 143 CD2 LEU A 20 -4.024 0.074 -0.320 1.00 24.40 C ATOM 0 H LEU A 20 -7.122 3.692 0.193 1.00 34.41 H new ATOM 0 HA LEU A 20 -4.849 3.374 1.951 1.00 43.21 H new ATOM 0 HB2 LEU A 20 -6.021 1.967 -0.154 1.00 44.21 H new ATOM 0 HB3 LEU A 20 -4.560 2.617 -0.872 1.00 44.21 H new ATOM 0 HG LEU A 20 -3.229 1.580 0.963 1.00 22.12 H new ATOM 0 HD11 LEU A 20 -4.300 -0.134 2.370 1.00 23.41 H new ATOM 0 HD12 LEU A 20 -4.973 1.485 2.675 1.00 23.41 H new ATOM 0 HD13 LEU A 20 -5.887 0.311 1.698 1.00 23.41 H new ATOM 0 HD21 LEU A 20 -3.445 -0.730 0.134 1.00 24.40 H new ATOM 0 HD22 LEU A 20 -4.998 -0.308 -0.625 1.00 24.40 H new ATOM 0 HD23 LEU A 20 -3.494 0.454 -1.193 1.00 24.40 H new ATOM 155 N TYR A 21 -4.874 5.819 -0.002 1.00 23.23 N ATOM 156 CA TYR A 21 -4.129 6.949 -0.544 1.00 55.22 C ATOM 157 C TYR A 21 -3.113 7.469 0.468 1.00 30.51 C ATOM 158 O TYR A 21 -2.213 8.235 0.124 1.00 0.14 O ATOM 159 CB TYR A 21 -5.087 8.073 -0.944 1.00 73.31 C ATOM 160 CG TYR A 21 -6.115 8.398 0.116 1.00 52.20 C ATOM 161 CD1 TYR A 21 -5.726 8.789 1.391 1.00 13.44 C ATOM 162 CD2 TYR A 21 -7.475 8.314 -0.157 1.00 63.41 C ATOM 163 CE1 TYR A 21 -6.662 9.087 2.363 1.00 3.15 C ATOM 164 CE2 TYR A 21 -8.417 8.611 0.808 1.00 31.23 C ATOM 165 CZ TYR A 21 -8.006 8.997 2.067 1.00 63.11 C ATOM 166 OH TYR A 21 -8.941 9.292 3.032 1.00 53.42 O ATOM 0 H TYR A 21 -5.882 5.965 0.052 1.00 23.23 H new ATOM 0 HA TYR A 21 -3.591 6.606 -1.428 1.00 55.22 H new ATOM 0 HB2 TYR A 21 -4.509 8.970 -1.165 1.00 73.31 H new ATOM 0 HB3 TYR A 21 -5.601 7.791 -1.863 1.00 73.31 H new ATOM 0 HD1 TYR A 21 -4.674 8.861 1.627 1.00 13.44 H new ATOM 0 HD2 TYR A 21 -7.801 8.011 -1.141 1.00 63.41 H new ATOM 0 HE1 TYR A 21 -6.343 9.389 3.350 1.00 3.15 H new ATOM 0 HE2 TYR A 21 -9.470 8.541 0.578 1.00 31.23 H new ATOM 0 HH TYR A 21 -9.841 9.180 2.661 1.00 53.42 H new ATOM 176 N PHE A 22 -3.263 7.044 1.719 1.00 55.55 N ATOM 177 CA PHE A 22 -2.360 7.466 2.783 1.00 62.24 C ATOM 178 C PHE A 22 -1.472 6.309 3.232 1.00 43.22 C ATOM 179 O PHE A 22 -1.351 6.034 4.425 1.00 21.21 O ATOM 180 CB PHE A 22 -3.156 8.005 3.973 1.00 22.51 C ATOM 181 CG PHE A 22 -2.870 9.446 4.282 1.00 13.41 C ATOM 182 CD1 PHE A 22 -1.809 9.796 5.101 1.00 44.23 C ATOM 183 CD2 PHE A 22 -3.664 10.452 3.754 1.00 10.01 C ATOM 184 CE1 PHE A 22 -1.543 11.122 5.387 1.00 41.23 C ATOM 185 CE2 PHE A 22 -3.403 11.780 4.036 1.00 21.52 C ATOM 186 CZ PHE A 22 -2.342 12.115 4.854 1.00 22.05 C ATOM 0 H PHE A 22 -4.001 6.408 2.020 1.00 55.55 H new ATOM 0 HA PHE A 22 -1.723 8.260 2.392 1.00 62.24 H new ATOM 0 HB2 PHE A 22 -4.221 7.890 3.770 1.00 22.51 H new ATOM 0 HB3 PHE A 22 -2.932 7.402 4.853 1.00 22.51 H new ATOM 0 HD1 PHE A 22 -1.182 9.023 5.521 1.00 44.23 H new ATOM 0 HD2 PHE A 22 -4.496 10.195 3.115 1.00 10.01 H new ATOM 0 HE1 PHE A 22 -0.712 11.381 6.026 1.00 41.23 H new ATOM 0 HE2 PHE A 22 -4.028 12.555 3.617 1.00 21.52 H new ATOM 0 HZ PHE A 22 -2.137 13.152 5.077 1.00 22.05 H new ATOM 196 N GLN A 23 -0.853 5.636 2.267 1.00 54.44 N ATOM 197 CA GLN A 23 0.022 4.509 2.562 1.00 24.24 C ATOM 198 C GLN A 23 1.243 4.961 3.357 1.00 50.30 C ATOM 199 O GLN A 23 2.313 5.191 2.794 1.00 35.30 O ATOM 200 CB GLN A 23 0.466 3.827 1.267 1.00 45.21 C ATOM 201 CG GLN A 23 0.981 4.796 0.215 1.00 51.41 C ATOM 202 CD GLN A 23 2.397 4.481 -0.226 1.00 53.52 C ATOM 203 OE1 GLN A 23 3.223 4.035 0.570 1.00 13.25 O ATOM 204 NE2 GLN A 23 2.685 4.713 -1.502 1.00 32.53 N ATOM 0 H GLN A 23 -0.942 5.852 1.274 1.00 54.44 H new ATOM 0 HA GLN A 23 -0.539 3.795 3.166 1.00 24.24 H new ATOM 0 HB2 GLN A 23 1.248 3.104 1.497 1.00 45.21 H new ATOM 0 HB3 GLN A 23 -0.374 3.268 0.854 1.00 45.21 H new ATOM 0 HG2 GLN A 23 0.320 4.770 -0.652 1.00 51.41 H new ATOM 0 HG3 GLN A 23 0.946 5.810 0.613 1.00 51.41 H new ATOM 0 HE21 GLN A 23 1.969 5.083 -2.127 1.00 32.53 H new ATOM 0 HE22 GLN A 23 3.622 4.521 -1.856 1.00 32.53 H new ATOM 213 N GLY A 24 1.075 5.088 4.670 1.00 52.31 N ATOM 214 CA GLY A 24 2.171 5.514 5.520 1.00 30.55 C ATOM 215 C GLY A 24 3.054 6.550 4.854 1.00 54.11 C ATOM 216 O GLY A 24 4.280 6.466 4.919 1.00 35.43 O ATOM 0 H GLY A 24 0.200 4.903 5.160 1.00 52.31 H new ATOM 0 HA2 GLY A 24 1.769 5.925 6.446 1.00 30.55 H new ATOM 0 HA3 GLY A 24 2.774 4.648 5.791 1.00 30.55 H new ATOM 220 N ALA A 25 2.429 7.530 4.209 1.00 2.33 N ATOM 221 CA ALA A 25 3.166 8.588 3.528 1.00 21.43 C ATOM 222 C ALA A 25 4.014 9.387 4.512 1.00 52.12 C ATOM 223 O ALA A 25 5.110 9.837 4.178 1.00 14.02 O ATOM 224 CB ALA A 25 2.206 9.507 2.787 1.00 24.41 C ATOM 0 H ALA A 25 1.414 7.613 4.144 1.00 2.33 H new ATOM 0 HA ALA A 25 3.837 8.123 2.805 1.00 21.43 H new ATOM 0 HB1 ALA A 25 2.770 10.292 2.283 1.00 24.41 H new ATOM 0 HB2 ALA A 25 1.647 8.931 2.049 1.00 24.41 H new ATOM 0 HB3 ALA A 25 1.512 9.957 3.497 1.00 24.41 H new ATOM 230 N MET A 26 3.499 9.561 5.725 1.00 60.33 N ATOM 231 CA MET A 26 4.210 10.306 6.757 1.00 41.22 C ATOM 232 C MET A 26 5.438 9.537 7.235 1.00 53.02 C ATOM 233 O MET A 26 6.330 10.103 7.866 1.00 55.42 O ATOM 234 CB MET A 26 3.282 10.594 7.939 1.00 44.44 C ATOM 235 CG MET A 26 2.375 9.429 8.297 1.00 32.21 C ATOM 236 SD MET A 26 0.679 9.670 7.733 1.00 23.31 S ATOM 237 CE MET A 26 -0.022 10.541 9.132 1.00 74.20 C ATOM 0 H MET A 26 2.592 9.196 6.017 1.00 60.33 H new ATOM 0 HA MET A 26 4.541 11.251 6.325 1.00 41.22 H new ATOM 0 HB2 MET A 26 3.885 10.855 8.809 1.00 44.44 H new ATOM 0 HB3 MET A 26 2.668 11.463 7.705 1.00 44.44 H new ATOM 0 HG2 MET A 26 2.774 8.515 7.857 1.00 32.21 H new ATOM 0 HG3 MET A 26 2.378 9.290 9.378 1.00 32.21 H new ATOM 0 HE1 MET A 26 -1.071 10.762 8.935 1.00 74.20 H new ATOM 0 HE2 MET A 26 0.057 9.920 10.024 1.00 74.20 H new ATOM 0 HE3 MET A 26 0.521 11.473 9.290 1.00 74.20 H new ATOM 247 N ALA A 27 5.476 8.244 6.930 1.00 10.00 N ATOM 248 CA ALA A 27 6.595 7.398 7.327 1.00 12.42 C ATOM 249 C ALA A 27 7.314 6.832 6.108 1.00 24.31 C ATOM 250 O ALA A 27 7.483 5.619 5.982 1.00 32.54 O ATOM 251 CB ALA A 27 6.111 6.272 8.228 1.00 60.30 C ATOM 0 H ALA A 27 4.745 7.760 6.409 1.00 10.00 H new ATOM 0 HA ALA A 27 7.305 8.012 7.881 1.00 12.42 H new ATOM 0 HB1 ALA A 27 6.957 5.648 8.517 1.00 60.30 H new ATOM 0 HB2 ALA A 27 5.649 6.693 9.121 1.00 60.30 H new ATOM 0 HB3 ALA A 27 5.380 5.667 7.693 1.00 60.30 H new ATOM 257 N PHE A 28 7.737 7.717 5.211 1.00 33.05 N ATOM 258 CA PHE A 28 8.437 7.304 4.001 1.00 40.42 C ATOM 259 C PHE A 28 9.861 6.858 4.321 1.00 14.12 C ATOM 260 O PHE A 28 10.817 7.289 3.677 1.00 4.05 O ATOM 261 CB PHE A 28 8.466 8.450 2.987 1.00 13.21 C ATOM 262 CG PHE A 28 8.660 9.801 3.615 1.00 64.14 C ATOM 263 CD1 PHE A 28 9.794 10.075 4.363 1.00 50.04 C ATOM 264 CD2 PHE A 28 7.709 10.796 3.457 1.00 45.22 C ATOM 265 CE1 PHE A 28 9.977 11.317 4.941 1.00 15.10 C ATOM 266 CE2 PHE A 28 7.887 12.040 4.032 1.00 12.14 C ATOM 267 CZ PHE A 28 9.021 12.301 4.776 1.00 30.55 C ATOM 0 H PHE A 28 7.607 8.725 5.300 1.00 33.05 H new ATOM 0 HA PHE A 28 7.899 6.460 3.570 1.00 40.42 H new ATOM 0 HB2 PHE A 28 9.269 8.272 2.272 1.00 13.21 H new ATOM 0 HB3 PHE A 28 7.533 8.450 2.424 1.00 13.21 H new ATOM 0 HD1 PHE A 28 10.544 9.309 4.496 1.00 50.04 H new ATOM 0 HD2 PHE A 28 6.819 10.597 2.878 1.00 45.22 H new ATOM 0 HE1 PHE A 28 10.866 11.518 5.521 1.00 15.10 H new ATOM 0 HE2 PHE A 28 7.139 12.808 3.900 1.00 12.14 H new ATOM 0 HZ PHE A 28 9.160 13.272 5.228 1.00 30.55 H new ATOM 277 N ASP A 29 9.992 5.993 5.321 1.00 71.25 N ATOM 278 CA ASP A 29 11.298 5.487 5.727 1.00 33.13 C ATOM 279 C ASP A 29 11.177 4.606 6.967 1.00 42.10 C ATOM 280 O ASP A 29 11.942 3.659 7.145 1.00 5.51 O ATOM 281 CB ASP A 29 12.255 6.648 6.002 1.00 20.32 C ATOM 282 CG ASP A 29 13.379 6.724 4.987 1.00 15.42 C ATOM 283 OD1 ASP A 29 13.990 5.674 4.698 1.00 53.34 O ATOM 284 OD2 ASP A 29 13.646 7.834 4.482 1.00 41.32 O ATOM 0 H ASP A 29 9.210 5.628 5.865 1.00 71.25 H new ATOM 0 HA ASP A 29 11.697 4.883 4.912 1.00 33.13 H new ATOM 0 HB2 ASP A 29 11.697 7.585 5.993 1.00 20.32 H new ATOM 0 HB3 ASP A 29 12.678 6.538 7.001 1.00 20.32 H new ATOM 289 N GLY A 30 10.211 4.926 7.822 1.00 32.15 N ATOM 290 CA GLY A 30 10.009 4.155 9.035 1.00 34.12 C ATOM 291 C GLY A 30 8.880 3.152 8.903 1.00 32.22 C ATOM 292 O GLY A 30 8.611 2.386 9.828 1.00 61.22 O ATOM 0 H GLY A 30 9.565 5.705 7.697 1.00 32.15 H new ATOM 0 HA2 GLY A 30 10.930 3.629 9.285 1.00 34.12 H new ATOM 0 HA3 GLY A 30 9.794 4.833 9.861 1.00 34.12 H new ATOM 296 N GLU A 31 8.217 3.158 7.751 1.00 73.40 N ATOM 297 CA GLU A 31 7.109 2.242 7.503 1.00 12.44 C ATOM 298 C GLU A 31 7.621 0.837 7.203 1.00 61.25 C ATOM 299 O GLU A 31 7.797 0.464 6.043 1.00 74.45 O ATOM 300 CB GLU A 31 6.253 2.745 6.339 1.00 42.42 C ATOM 301 CG GLU A 31 7.034 2.939 5.050 1.00 55.34 C ATOM 302 CD GLU A 31 6.670 1.919 3.988 1.00 14.23 C ATOM 303 OE1 GLU A 31 5.461 1.701 3.764 1.00 52.55 O ATOM 304 OE2 GLU A 31 7.595 1.339 3.382 1.00 34.23 O ATOM 0 H GLU A 31 8.427 3.786 6.975 1.00 73.40 H new ATOM 0 HA GLU A 31 6.496 2.201 8.404 1.00 12.44 H new ATOM 0 HB2 GLU A 31 5.444 2.036 6.161 1.00 42.42 H new ATOM 0 HB3 GLU A 31 5.792 3.691 6.621 1.00 42.42 H new ATOM 0 HG2 GLU A 31 6.848 3.941 4.664 1.00 55.34 H new ATOM 0 HG3 GLU A 31 8.101 2.872 5.262 1.00 55.34 H new ATOM 311 N ASP A 32 7.859 0.063 8.255 1.00 25.34 N ATOM 312 CA ASP A 32 8.351 -1.302 8.105 1.00 23.03 C ATOM 313 C ASP A 32 7.213 -2.254 7.753 1.00 73.20 C ATOM 314 O ASP A 32 6.116 -1.821 7.402 1.00 34.35 O ATOM 315 CB ASP A 32 9.039 -1.763 9.391 1.00 20.32 C ATOM 316 CG ASP A 32 10.071 -0.768 9.885 1.00 71.32 C ATOM 317 OD1 ASP A 32 10.493 0.095 9.087 1.00 71.35 O ATOM 318 OD2 ASP A 32 10.456 -0.852 11.070 1.00 52.03 O ATOM 0 H ASP A 32 7.719 0.357 9.222 1.00 25.34 H new ATOM 0 HA ASP A 32 9.075 -1.314 7.291 1.00 23.03 H new ATOM 0 HB2 ASP A 32 8.288 -1.918 10.166 1.00 20.32 H new ATOM 0 HB3 ASP A 32 9.521 -2.725 9.217 1.00 20.32 H new ATOM 323 N GLU A 33 7.483 -3.552 7.848 1.00 72.42 N ATOM 324 CA GLU A 33 6.481 -4.565 7.537 1.00 71.20 C ATOM 325 C GLU A 33 5.875 -5.141 8.814 1.00 64.43 C ATOM 326 O GLU A 33 6.402 -4.942 9.909 1.00 74.14 O ATOM 327 CB GLU A 33 7.100 -5.688 6.701 1.00 1.54 C ATOM 328 CG GLU A 33 8.160 -6.484 7.443 1.00 64.31 C ATOM 329 CD GLU A 33 8.856 -7.497 6.555 1.00 64.23 C ATOM 330 OE1 GLU A 33 8.393 -7.704 5.414 1.00 63.03 O ATOM 331 OE2 GLU A 33 9.865 -8.083 7.001 1.00 1.23 O ATOM 0 H GLU A 33 8.386 -3.927 8.138 1.00 72.42 H new ATOM 0 HA GLU A 33 5.687 -4.089 6.961 1.00 71.20 H new ATOM 0 HB2 GLU A 33 6.310 -6.365 6.376 1.00 1.54 H new ATOM 0 HB3 GLU A 33 7.542 -5.259 5.802 1.00 1.54 H new ATOM 0 HG2 GLU A 33 8.900 -5.799 7.856 1.00 64.31 H new ATOM 0 HG3 GLU A 33 7.699 -7.000 8.285 1.00 64.31 H new ATOM 338 N VAL A 34 4.765 -5.857 8.665 1.00 50.25 N ATOM 339 CA VAL A 34 4.087 -6.463 9.804 1.00 1.23 C ATOM 340 C VAL A 34 3.943 -7.969 9.621 1.00 61.44 C ATOM 341 O VAL A 34 4.863 -8.640 9.150 1.00 32.14 O ATOM 342 CB VAL A 34 2.692 -5.847 10.020 1.00 73.34 C ATOM 343 CG1 VAL A 34 2.200 -6.120 11.433 1.00 50.00 C ATOM 344 CG2 VAL A 34 2.719 -4.353 9.735 1.00 62.22 C ATOM 0 H VAL A 34 4.316 -6.031 7.766 1.00 50.25 H new ATOM 0 HA VAL A 34 4.703 -6.264 10.681 1.00 1.23 H new ATOM 0 HB VAL A 34 1.996 -6.314 9.323 1.00 73.34 H new ATOM 0 HG11 VAL A 34 1.213 -5.677 11.567 1.00 50.00 H new ATOM 0 HG12 VAL A 34 2.140 -7.196 11.596 1.00 50.00 H new ATOM 0 HG13 VAL A 34 2.894 -5.683 12.151 1.00 50.00 H new ATOM 0 HG21 VAL A 34 1.725 -3.934 9.893 1.00 62.22 H new ATOM 0 HG22 VAL A 34 3.428 -3.867 10.406 1.00 62.22 H new ATOM 0 HG23 VAL A 34 3.024 -4.185 8.702 1.00 62.22 H new ATOM 354 N THR A 35 2.782 -8.497 9.994 1.00 34.42 N ATOM 355 CA THR A 35 2.516 -9.925 9.872 1.00 63.24 C ATOM 356 C THR A 35 1.100 -10.180 9.370 1.00 72.14 C ATOM 357 O THR A 35 0.902 -10.622 8.239 1.00 54.55 O ATOM 358 CB THR A 35 2.710 -10.650 11.217 1.00 64.22 C ATOM 359 OG1 THR A 35 1.877 -10.056 12.218 1.00 31.12 O ATOM 360 CG2 THR A 35 4.165 -10.590 11.659 1.00 14.11 C ATOM 0 H THR A 35 2.010 -7.956 10.384 1.00 34.42 H new ATOM 0 HA THR A 35 3.231 -10.318 9.149 1.00 63.24 H new ATOM 0 HB THR A 35 2.430 -11.695 11.085 1.00 64.22 H new ATOM 0 HG1 THR A 35 1.714 -10.704 12.935 1.00 31.12 H new ATOM 0 HG21 THR A 35 4.278 -11.108 12.611 1.00 14.11 H new ATOM 0 HG22 THR A 35 4.793 -11.069 10.908 1.00 14.11 H new ATOM 0 HG23 THR A 35 4.468 -9.549 11.775 1.00 14.11 H new ATOM 368 N GLY A 36 0.116 -9.898 10.219 1.00 60.33 N ATOM 369 CA GLY A 36 -1.270 -10.103 9.842 1.00 34.32 C ATOM 370 C GLY A 36 -2.237 -9.615 10.902 1.00 14.42 C ATOM 371 O GLY A 36 -3.069 -8.740 10.658 1.00 35.54 O ATOM 0 H GLY A 36 0.254 -9.531 11.161 1.00 60.33 H new ATOM 0 HA2 GLY A 36 -1.469 -9.582 8.905 1.00 34.32 H new ATOM 0 HA3 GLY A 36 -1.441 -11.164 9.660 1.00 34.32 H new ATOM 375 N PRO A 37 -2.135 -10.187 12.111 1.00 53.00 N ATOM 376 CA PRO A 37 -3.001 -9.821 13.236 1.00 42.30 C ATOM 377 C PRO A 37 -2.703 -8.422 13.765 1.00 52.11 C ATOM 378 O PRO A 37 -1.656 -7.846 13.469 1.00 52.31 O ATOM 379 CB PRO A 37 -2.670 -10.875 14.296 1.00 52.33 C ATOM 380 CG PRO A 37 -1.286 -11.319 13.969 1.00 11.23 C ATOM 381 CD PRO A 37 -1.167 -11.235 12.473 1.00 64.43 C ATOM 0 HA PRO A 37 -4.053 -9.799 12.951 1.00 42.30 H new ATOM 0 HB2 PRO A 37 -2.724 -10.457 15.301 1.00 52.33 H new ATOM 0 HB3 PRO A 37 -3.372 -11.708 14.259 1.00 52.33 H new ATOM 0 HG2 PRO A 37 -0.547 -10.683 14.456 1.00 11.23 H new ATOM 0 HG3 PRO A 37 -1.110 -12.336 14.318 1.00 11.23 H new ATOM 0 HD2 PRO A 37 -0.155 -10.971 12.165 1.00 64.43 H new ATOM 0 HD3 PRO A 37 -1.407 -12.186 11.997 1.00 64.43 H new ATOM 389 N ASP A 38 -3.630 -7.881 14.549 1.00 64.42 N ATOM 390 CA ASP A 38 -3.465 -6.550 15.121 1.00 54.05 C ATOM 391 C ASP A 38 -2.422 -6.561 16.234 1.00 74.42 C ATOM 392 O ASP A 38 -1.805 -5.539 16.530 1.00 51.12 O ATOM 393 CB ASP A 38 -4.801 -6.036 15.661 1.00 44.51 C ATOM 394 CG ASP A 38 -5.989 -6.663 14.960 1.00 73.20 C ATOM 395 OD1 ASP A 38 -5.994 -6.693 13.712 1.00 41.42 O ATOM 396 OD2 ASP A 38 -6.916 -7.124 15.660 1.00 64.43 O ATOM 0 H ASP A 38 -4.503 -8.344 14.803 1.00 64.42 H new ATOM 0 HA ASP A 38 -3.119 -5.882 14.332 1.00 54.05 H new ATOM 0 HB2 ASP A 38 -4.862 -6.244 16.729 1.00 44.51 H new ATOM 0 HB3 ASP A 38 -4.844 -4.953 15.544 1.00 44.51 H new ATOM 401 N ALA A 39 -2.232 -7.725 16.848 1.00 54.34 N ATOM 402 CA ALA A 39 -1.264 -7.869 17.927 1.00 21.43 C ATOM 403 C ALA A 39 0.141 -7.506 17.457 1.00 34.53 C ATOM 404 O ALA A 39 0.908 -6.881 18.189 1.00 23.42 O ATOM 405 CB ALA A 39 -1.290 -9.290 18.472 1.00 4.35 C ATOM 0 H ALA A 39 -2.736 -8.581 16.616 1.00 54.34 H new ATOM 0 HA ALA A 39 -1.541 -7.180 18.725 1.00 21.43 H new ATOM 0 HB1 ALA A 39 -0.562 -9.384 19.278 1.00 4.35 H new ATOM 0 HB2 ALA A 39 -2.286 -9.515 18.854 1.00 4.35 H new ATOM 0 HB3 ALA A 39 -1.041 -9.990 17.675 1.00 4.35 H new ATOM 411 N ASP A 40 0.470 -7.903 16.233 1.00 4.30 N ATOM 412 CA ASP A 40 1.783 -7.619 15.665 1.00 2.41 C ATOM 413 C ASP A 40 1.845 -6.193 15.126 1.00 40.12 C ATOM 414 O ASP A 40 2.886 -5.538 15.192 1.00 74.41 O ATOM 415 CB ASP A 40 2.106 -8.614 14.549 1.00 0.43 C ATOM 416 CG ASP A 40 3.082 -9.686 14.994 1.00 55.41 C ATOM 417 OD1 ASP A 40 4.301 -9.416 14.993 1.00 1.33 O ATOM 418 OD2 ASP A 40 2.625 -10.794 15.343 1.00 24.12 O ATOM 0 H ASP A 40 -0.154 -8.422 15.615 1.00 4.30 H new ATOM 0 HA ASP A 40 2.524 -7.721 16.458 1.00 2.41 H new ATOM 0 HB2 ASP A 40 1.184 -9.085 14.208 1.00 0.43 H new ATOM 0 HB3 ASP A 40 2.524 -8.077 13.697 1.00 0.43 H new ATOM 423 N ARG A 41 0.724 -5.719 14.592 1.00 44.35 N ATOM 424 CA ARG A 41 0.652 -4.372 14.039 1.00 51.43 C ATOM 425 C ARG A 41 0.653 -3.327 15.151 1.00 41.33 C ATOM 426 O ARG A 41 1.369 -2.328 15.077 1.00 32.40 O ATOM 427 CB ARG A 41 -0.605 -4.217 13.180 1.00 4.30 C ATOM 428 CG ARG A 41 -1.799 -3.667 13.942 1.00 11.32 C ATOM 429 CD ARG A 41 -3.009 -3.498 13.036 1.00 23.40 C ATOM 430 NE ARG A 41 -4.263 -3.560 13.781 1.00 74.21 N ATOM 431 CZ ARG A 41 -5.427 -3.893 13.234 1.00 53.44 C ATOM 432 NH1 ARG A 41 -5.496 -4.192 11.944 1.00 63.11 N ATOM 433 NH2 ARG A 41 -6.526 -3.927 13.977 1.00 2.52 N ATOM 0 H ARG A 41 -0.146 -6.248 14.531 1.00 44.35 H new ATOM 0 HA ARG A 41 1.532 -4.215 13.415 1.00 51.43 H new ATOM 0 HB2 ARG A 41 -0.383 -3.556 12.342 1.00 4.30 H new ATOM 0 HB3 ARG A 41 -0.869 -5.187 12.759 1.00 4.30 H new ATOM 0 HG2 ARG A 41 -2.049 -4.339 14.763 1.00 11.32 H new ATOM 0 HG3 ARG A 41 -1.538 -2.706 14.385 1.00 11.32 H new ATOM 0 HD2 ARG A 41 -2.943 -2.542 12.517 1.00 23.40 H new ATOM 0 HD3 ARG A 41 -3.002 -4.276 12.273 1.00 23.40 H new ATOM 0 HE ARG A 41 -4.244 -3.335 14.776 1.00 74.21 H new ATOM 0 HH11 ARG A 41 -4.654 -4.167 11.369 1.00 63.11 H new ATOM 0 HH12 ARG A 41 -6.391 -4.447 11.527 1.00 63.11 H new ATOM 0 HH21 ARG A 41 -6.478 -3.697 14.970 1.00 2.52 H new ATOM 0 HH22 ARG A 41 -7.419 -4.183 13.555 1.00 2.52 H new ATOM 447 N ALA A 42 -0.154 -3.564 16.180 1.00 61.25 N ATOM 448 CA ALA A 42 -0.245 -2.645 17.307 1.00 22.01 C ATOM 449 C ALA A 42 1.078 -2.571 18.063 1.00 55.10 C ATOM 450 O ALA A 42 1.438 -1.524 18.601 1.00 33.04 O ATOM 451 CB ALA A 42 -1.367 -3.068 18.243 1.00 12.44 C ATOM 0 H ALA A 42 -0.754 -4.385 16.256 1.00 61.25 H new ATOM 0 HA ALA A 42 -0.467 -1.651 16.917 1.00 22.01 H new ATOM 0 HB1 ALA A 42 -1.424 -2.373 19.081 1.00 12.44 H new ATOM 0 HB2 ALA A 42 -2.313 -3.063 17.702 1.00 12.44 H new ATOM 0 HB3 ALA A 42 -1.169 -4.072 18.618 1.00 12.44 H new ATOM 457 N ARG A 43 1.796 -3.688 18.100 1.00 62.33 N ATOM 458 CA ARG A 43 3.078 -3.750 18.792 1.00 51.23 C ATOM 459 C ARG A 43 4.202 -3.230 17.901 1.00 43.22 C ATOM 460 O ARG A 43 5.068 -2.480 18.351 1.00 11.10 O ATOM 461 CB ARG A 43 3.379 -5.186 19.225 1.00 1.43 C ATOM 462 CG ARG A 43 3.851 -6.079 18.089 1.00 12.44 C ATOM 463 CD ARG A 43 3.978 -7.527 18.535 1.00 13.13 C ATOM 464 NE ARG A 43 5.051 -8.224 17.831 1.00 33.35 N ATOM 465 CZ ARG A 43 6.339 -8.072 18.119 1.00 34.21 C ATOM 466 NH1 ARG A 43 6.712 -7.252 19.092 1.00 54.13 N ATOM 467 NH2 ARG A 43 7.256 -8.742 17.434 1.00 43.25 N ATOM 0 H ARG A 43 1.512 -4.563 17.659 1.00 62.33 H new ATOM 0 HA ARG A 43 3.016 -3.116 19.677 1.00 51.23 H new ATOM 0 HB2 ARG A 43 4.142 -5.169 20.004 1.00 1.43 H new ATOM 0 HB3 ARG A 43 2.482 -5.619 19.667 1.00 1.43 H new ATOM 0 HG2 ARG A 43 3.149 -6.013 17.258 1.00 12.44 H new ATOM 0 HG3 ARG A 43 4.814 -5.724 17.722 1.00 12.44 H new ATOM 0 HD2 ARG A 43 4.167 -7.561 19.608 1.00 13.13 H new ATOM 0 HD3 ARG A 43 3.034 -8.044 18.361 1.00 13.13 H new ATOM 0 HE ARG A 43 4.798 -8.862 17.077 1.00 33.35 H new ATOM 0 HH11 ARG A 43 6.009 -6.736 19.622 1.00 54.13 H new ATOM 0 HH12 ARG A 43 7.702 -7.137 19.311 1.00 54.13 H new ATOM 0 HH21 ARG A 43 6.973 -9.374 16.686 1.00 43.25 H new ATOM 0 HH22 ARG A 43 8.245 -8.625 17.656 1.00 43.25 H new ATOM 481 N ALA A 44 4.182 -3.634 16.635 1.00 62.01 N ATOM 482 CA ALA A 44 5.198 -3.208 15.681 1.00 44.12 C ATOM 483 C ALA A 44 4.977 -1.761 15.252 1.00 22.25 C ATOM 484 O ALA A 44 5.833 -0.903 15.466 1.00 13.15 O ATOM 485 CB ALA A 44 5.200 -4.125 14.467 1.00 64.31 C ATOM 0 H ALA A 44 3.473 -4.256 16.246 1.00 62.01 H new ATOM 0 HA ALA A 44 6.169 -3.270 16.172 1.00 44.12 H new ATOM 0 HB1 ALA A 44 5.964 -3.795 13.763 1.00 64.31 H new ATOM 0 HB2 ALA A 44 5.414 -5.146 14.783 1.00 64.31 H new ATOM 0 HB3 ALA A 44 4.223 -4.092 13.984 1.00 64.31 H new ATOM 491 N ALA A 45 3.824 -1.498 14.646 1.00 22.20 N ATOM 492 CA ALA A 45 3.490 -0.155 14.189 1.00 45.01 C ATOM 493 C ALA A 45 3.674 0.867 15.306 1.00 21.52 C ATOM 494 O ALA A 45 3.856 2.056 15.049 1.00 52.14 O ATOM 495 CB ALA A 45 2.063 -0.115 13.664 1.00 32.55 C ATOM 0 H ALA A 45 3.105 -2.198 14.460 1.00 22.20 H new ATOM 0 HA ALA A 45 4.171 0.105 13.378 1.00 45.01 H new ATOM 0 HB1 ALA A 45 1.828 0.894 13.326 1.00 32.55 H new ATOM 0 HB2 ALA A 45 1.963 -0.809 12.830 1.00 32.55 H new ATOM 0 HB3 ALA A 45 1.375 -0.401 14.459 1.00 32.55 H new ATOM 501 N ALA A 46 3.625 0.394 16.547 1.00 12.34 N ATOM 502 CA ALA A 46 3.787 1.267 17.704 1.00 61.23 C ATOM 503 C ALA A 46 5.136 1.978 17.670 1.00 74.01 C ATOM 504 O ALA A 46 5.215 3.166 17.357 1.00 74.15 O ATOM 505 CB ALA A 46 3.641 0.469 18.991 1.00 10.33 C ATOM 0 H ALA A 46 3.475 -0.588 16.777 1.00 12.34 H new ATOM 0 HA ALA A 46 3.005 2.025 17.669 1.00 61.23 H new ATOM 0 HB1 ALA A 46 3.764 1.133 19.847 1.00 10.33 H new ATOM 0 HB2 ALA A 46 2.652 0.012 19.026 1.00 10.33 H new ATOM 0 HB3 ALA A 46 4.402 -0.311 19.024 1.00 10.33 H new ATOM 511 N VAL A 47 6.195 1.244 17.995 1.00 30.11 N ATOM 512 CA VAL A 47 7.541 1.805 18.002 1.00 72.45 C ATOM 513 C VAL A 47 8.361 1.278 16.829 1.00 22.24 C ATOM 514 O VAL A 47 9.345 1.895 16.421 1.00 33.33 O ATOM 515 CB VAL A 47 8.277 1.482 19.315 1.00 21.14 C ATOM 516 CG1 VAL A 47 9.613 2.207 19.371 1.00 62.32 C ATOM 517 CG2 VAL A 47 7.413 1.847 20.513 1.00 22.31 C ATOM 0 H VAL A 47 6.147 0.259 18.257 1.00 30.11 H new ATOM 0 HA VAL A 47 7.434 2.886 17.911 1.00 72.45 H new ATOM 0 HB VAL A 47 8.471 0.410 19.348 1.00 21.14 H new ATOM 0 HG11 VAL A 47 10.119 1.966 20.306 1.00 62.32 H new ATOM 0 HG12 VAL A 47 10.233 1.892 18.532 1.00 62.32 H new ATOM 0 HG13 VAL A 47 9.446 3.283 19.315 1.00 62.32 H new ATOM 0 HG21 VAL A 47 7.949 1.612 21.433 1.00 22.31 H new ATOM 0 HG22 VAL A 47 7.187 2.913 20.487 1.00 22.31 H new ATOM 0 HG23 VAL A 47 6.484 1.278 20.479 1.00 22.31 H new ATOM 527 N GLN A 48 7.949 0.134 16.293 1.00 61.05 N ATOM 528 CA GLN A 48 8.647 -0.476 15.167 1.00 53.13 C ATOM 529 C GLN A 48 8.449 0.343 13.895 1.00 12.04 C ATOM 530 O GLN A 48 9.324 0.388 13.032 1.00 64.22 O ATOM 531 CB GLN A 48 8.152 -1.907 14.948 1.00 43.12 C ATOM 532 CG GLN A 48 9.217 -2.840 14.395 1.00 60.51 C ATOM 533 CD GLN A 48 9.808 -3.746 15.457 1.00 33.43 C ATOM 534 OE1 GLN A 48 9.130 -4.630 15.983 1.00 12.43 O ATOM 535 NE2 GLN A 48 11.078 -3.532 15.779 1.00 40.01 N ATOM 0 H GLN A 48 7.136 -0.389 16.620 1.00 61.05 H new ATOM 0 HA GLN A 48 9.711 -0.498 15.401 1.00 53.13 H new ATOM 0 HB2 GLN A 48 7.787 -2.306 15.895 1.00 43.12 H new ATOM 0 HB3 GLN A 48 7.305 -1.889 14.262 1.00 43.12 H new ATOM 0 HG2 GLN A 48 8.784 -3.450 13.602 1.00 60.51 H new ATOM 0 HG3 GLN A 48 10.013 -2.249 13.943 1.00 60.51 H new ATOM 0 HE21 GLN A 48 11.603 -2.789 15.318 1.00 40.01 H new ATOM 0 HE22 GLN A 48 11.529 -4.111 16.487 1.00 40.01 H new ATOM 544 N ALA A 49 7.292 0.989 13.788 1.00 44.14 N ATOM 545 CA ALA A 49 6.980 1.808 12.623 1.00 65.23 C ATOM 546 C ALA A 49 7.032 3.293 12.966 1.00 73.34 C ATOM 547 O ALA A 49 6.797 4.146 12.110 1.00 1.31 O ATOM 548 CB ALA A 49 5.612 1.439 12.069 1.00 30.25 C ATOM 0 H ALA A 49 6.556 0.961 14.494 1.00 44.14 H new ATOM 0 HA ALA A 49 7.733 1.612 11.860 1.00 65.23 H new ATOM 0 HB1 ALA A 49 5.392 2.059 11.199 1.00 30.25 H new ATOM 0 HB2 ALA A 49 5.609 0.389 11.776 1.00 30.25 H new ATOM 0 HB3 ALA A 49 4.853 1.605 12.834 1.00 30.25 H new ATOM 554 N VAL A 50 7.339 3.595 14.223 1.00 22.31 N ATOM 555 CA VAL A 50 7.422 4.977 14.679 1.00 15.21 C ATOM 556 C VAL A 50 8.869 5.450 14.740 1.00 5.43 C ATOM 557 O VAL A 50 9.165 6.571 15.155 1.00 4.05 O ATOM 558 CB VAL A 50 6.778 5.149 16.068 1.00 54.43 C ATOM 559 CG1 VAL A 50 7.830 5.044 17.161 1.00 13.51 C ATOM 560 CG2 VAL A 50 6.040 6.477 16.151 1.00 3.35 C ATOM 0 H VAL A 50 7.534 2.901 14.944 1.00 22.31 H new ATOM 0 HA VAL A 50 6.876 5.582 13.956 1.00 15.21 H new ATOM 0 HB VAL A 50 6.054 4.347 16.217 1.00 54.43 H new ATOM 0 HG11 VAL A 50 7.356 5.168 18.135 1.00 13.51 H new ATOM 0 HG12 VAL A 50 8.309 4.066 17.112 1.00 13.51 H new ATOM 0 HG13 VAL A 50 8.580 5.823 17.020 1.00 13.51 H new ATOM 0 HG21 VAL A 50 5.591 6.583 17.139 1.00 3.35 H new ATOM 0 HG22 VAL A 50 6.741 7.294 15.982 1.00 3.35 H new ATOM 0 HG23 VAL A 50 5.258 6.507 15.392 1.00 3.35 H new ATOM 570 N PRO A 51 9.796 4.578 14.317 1.00 74.54 N ATOM 571 CA PRO A 51 11.229 4.884 14.312 1.00 1.22 C ATOM 572 C PRO A 51 11.595 5.931 13.265 1.00 32.41 C ATOM 573 O PRO A 51 12.571 6.663 13.420 1.00 61.11 O ATOM 574 CB PRO A 51 11.878 3.540 13.974 1.00 23.22 C ATOM 575 CG PRO A 51 10.831 2.791 13.225 1.00 51.02 C ATOM 576 CD PRO A 51 9.515 3.224 13.809 1.00 54.34 C ATOM 0 HA PRO A 51 11.559 5.305 15.262 1.00 1.22 H new ATOM 0 HB2 PRO A 51 12.776 3.675 13.371 1.00 23.22 H new ATOM 0 HB3 PRO A 51 12.177 3.007 14.876 1.00 23.22 H new ATOM 0 HG2 PRO A 51 10.878 3.015 12.159 1.00 51.02 H new ATOM 0 HG3 PRO A 51 10.970 1.715 13.331 1.00 51.02 H new ATOM 0 HD2 PRO A 51 8.725 3.233 13.058 1.00 54.34 H new ATOM 0 HD3 PRO A 51 9.190 2.555 14.606 1.00 54.34 H new ATOM 584 N GLY A 52 10.804 5.996 12.198 1.00 32.42 N ATOM 585 CA GLY A 52 11.061 6.956 11.141 1.00 2.23 C ATOM 586 C GLY A 52 10.501 8.329 11.457 1.00 62.05 C ATOM 587 O GLY A 52 11.199 9.335 11.334 1.00 20.24 O ATOM 0 H GLY A 52 9.990 5.401 12.047 1.00 32.42 H new ATOM 0 HA2 GLY A 52 12.136 7.034 10.978 1.00 2.23 H new ATOM 0 HA3 GLY A 52 10.623 6.594 10.211 1.00 2.23 H new ATOM 591 N GLY A 53 9.236 8.372 11.862 1.00 33.53 N ATOM 592 CA GLY A 53 8.603 9.636 12.188 1.00 42.52 C ATOM 593 C GLY A 53 7.219 9.457 12.780 1.00 42.34 C ATOM 594 O GLY A 53 6.785 10.251 13.615 1.00 55.44 O ATOM 0 H GLY A 53 8.638 7.553 11.970 1.00 33.53 H new ATOM 0 HA2 GLY A 53 9.229 10.181 12.895 1.00 42.52 H new ATOM 0 HA3 GLY A 53 8.533 10.247 11.288 1.00 42.52 H new ATOM 598 N THR A 54 6.522 8.412 12.346 1.00 64.53 N ATOM 599 CA THR A 54 5.179 8.132 12.836 1.00 55.15 C ATOM 600 C THR A 54 4.955 6.634 13.003 1.00 21.55 C ATOM 601 O THR A 54 5.538 5.825 12.282 1.00 72.13 O ATOM 602 CB THR A 54 4.106 8.696 11.885 1.00 14.32 C ATOM 603 OG1 THR A 54 2.803 8.510 12.451 1.00 44.30 O ATOM 604 CG2 THR A 54 4.175 8.017 10.526 1.00 63.30 C ATOM 0 H THR A 54 6.866 7.745 11.655 1.00 64.53 H new ATOM 0 HA THR A 54 5.089 8.620 13.806 1.00 55.15 H new ATOM 0 HB THR A 54 4.295 9.761 11.751 1.00 14.32 H new ATOM 0 HG1 THR A 54 2.127 8.872 11.841 1.00 44.30 H new ATOM 0 HG21 THR A 54 3.408 8.432 9.872 1.00 63.30 H new ATOM 0 HG22 THR A 54 5.157 8.185 10.085 1.00 63.30 H new ATOM 0 HG23 THR A 54 4.009 6.946 10.645 1.00 63.30 H new ATOM 612 N ALA A 55 4.107 6.270 13.960 1.00 21.10 N ATOM 613 CA ALA A 55 3.805 4.868 14.220 1.00 12.05 C ATOM 614 C ALA A 55 2.882 4.297 13.149 1.00 13.33 C ATOM 615 O ALA A 55 1.677 4.163 13.361 1.00 24.54 O ATOM 616 CB ALA A 55 3.179 4.710 15.598 1.00 13.32 C ATOM 0 H ALA A 55 3.617 6.927 14.568 1.00 21.10 H new ATOM 0 HA ALA A 55 4.740 4.309 14.191 1.00 12.05 H new ATOM 0 HB1 ALA A 55 2.959 3.658 15.779 1.00 13.32 H new ATOM 0 HB2 ALA A 55 3.873 5.071 16.357 1.00 13.32 H new ATOM 0 HB3 ALA A 55 2.256 5.288 15.647 1.00 13.32 H new ATOM 622 N GLY A 56 3.455 3.964 11.997 1.00 72.13 N ATOM 623 CA GLY A 56 2.668 3.412 10.909 1.00 0.51 C ATOM 624 C GLY A 56 3.430 2.373 10.111 1.00 1.21 C ATOM 625 O GLY A 56 4.262 2.715 9.271 1.00 21.42 O ATOM 0 H GLY A 56 4.450 4.066 11.797 1.00 72.13 H new ATOM 0 HA2 GLY A 56 1.761 2.962 11.313 1.00 0.51 H new ATOM 0 HA3 GLY A 56 2.356 4.218 10.245 1.00 0.51 H new ATOM 629 N GLU A 57 3.147 1.102 10.375 1.00 33.51 N ATOM 630 CA GLU A 57 3.814 0.010 9.676 1.00 23.21 C ATOM 631 C GLU A 57 2.980 -0.468 8.491 1.00 63.20 C ATOM 632 O GLU A 57 1.961 0.134 8.152 1.00 63.44 O ATOM 633 CB GLU A 57 4.074 -1.155 10.634 1.00 63.03 C ATOM 634 CG GLU A 57 5.450 -1.780 10.472 1.00 34.42 C ATOM 635 CD GLU A 57 5.741 -2.830 11.527 1.00 12.12 C ATOM 636 OE1 GLU A 57 4.937 -3.776 11.661 1.00 64.42 O ATOM 637 OE2 GLU A 57 6.773 -2.704 12.219 1.00 30.31 O ATOM 0 H GLU A 57 2.461 0.803 11.068 1.00 33.51 H new ATOM 0 HA GLU A 57 4.767 0.382 9.300 1.00 23.21 H new ATOM 0 HB2 GLU A 57 3.962 -0.803 11.660 1.00 63.03 H new ATOM 0 HB3 GLU A 57 3.315 -1.921 10.476 1.00 63.03 H new ATOM 0 HG2 GLU A 57 5.525 -2.233 9.483 1.00 34.42 H new ATOM 0 HG3 GLU A 57 6.208 -0.999 10.523 1.00 34.42 H new ATOM 644 N VAL A 58 3.421 -1.555 7.864 1.00 0.45 N ATOM 645 CA VAL A 58 2.716 -2.115 6.718 1.00 41.44 C ATOM 646 C VAL A 58 2.607 -3.631 6.827 1.00 61.34 C ATOM 647 O VAL A 58 3.615 -4.337 6.824 1.00 20.24 O ATOM 648 CB VAL A 58 3.420 -1.755 5.396 1.00 63.23 C ATOM 649 CG1 VAL A 58 2.562 -2.159 4.206 1.00 22.05 C ATOM 650 CG2 VAL A 58 3.742 -0.269 5.351 1.00 25.21 C ATOM 0 H VAL A 58 4.263 -2.065 8.131 1.00 0.45 H new ATOM 0 HA VAL A 58 1.716 -1.681 6.718 1.00 41.44 H new ATOM 0 HB VAL A 58 4.357 -2.308 5.342 1.00 63.23 H new ATOM 0 HG11 VAL A 58 3.076 -1.897 3.281 1.00 22.05 H new ATOM 0 HG12 VAL A 58 2.388 -3.235 4.232 1.00 22.05 H new ATOM 0 HG13 VAL A 58 1.607 -1.635 4.252 1.00 22.05 H new ATOM 0 HG21 VAL A 58 4.239 -0.033 4.410 1.00 25.21 H new ATOM 0 HG22 VAL A 58 2.819 0.306 5.428 1.00 25.21 H new ATOM 0 HG23 VAL A 58 4.399 -0.014 6.182 1.00 25.21 H new ATOM 660 N GLU A 59 1.377 -4.126 6.921 1.00 14.54 N ATOM 661 CA GLU A 59 1.136 -5.560 7.032 1.00 45.44 C ATOM 662 C GLU A 59 0.858 -6.171 5.662 1.00 61.43 C ATOM 663 O GLU A 59 0.339 -5.506 4.765 1.00 52.11 O ATOM 664 CB GLU A 59 -0.039 -5.831 7.972 1.00 33.53 C ATOM 665 CG GLU A 59 -0.371 -7.307 8.121 1.00 54.32 C ATOM 666 CD GLU A 59 -1.578 -7.719 7.299 1.00 3.34 C ATOM 667 OE1 GLU A 59 -1.445 -7.829 6.063 1.00 44.32 O ATOM 668 OE2 GLU A 59 -2.655 -7.931 7.894 1.00 30.43 O ATOM 0 H GLU A 59 0.532 -3.555 6.923 1.00 14.54 H new ATOM 0 HA GLU A 59 2.033 -6.023 7.442 1.00 45.44 H new ATOM 0 HB2 GLU A 59 0.190 -5.418 8.954 1.00 33.53 H new ATOM 0 HB3 GLU A 59 -0.919 -5.305 7.602 1.00 33.53 H new ATOM 0 HG2 GLU A 59 0.491 -7.902 7.818 1.00 54.32 H new ATOM 0 HG3 GLU A 59 -0.558 -7.529 9.172 1.00 54.32 H new ATOM 675 N THR A 60 1.208 -7.445 5.507 1.00 52.35 N ATOM 676 CA THR A 60 0.998 -8.147 4.247 1.00 51.12 C ATOM 677 C THR A 60 0.446 -9.548 4.484 1.00 52.14 C ATOM 678 O THR A 60 1.164 -10.439 4.937 1.00 54.33 O ATOM 679 CB THR A 60 2.305 -8.252 3.438 1.00 74.21 C ATOM 680 OG1 THR A 60 2.130 -9.156 2.341 1.00 40.43 O ATOM 681 CG2 THR A 60 3.449 -8.731 4.318 1.00 30.05 C ATOM 0 H THR A 60 1.638 -8.011 6.239 1.00 52.35 H new ATOM 0 HA THR A 60 0.273 -7.565 3.678 1.00 51.12 H new ATOM 0 HB THR A 60 2.551 -7.261 3.057 1.00 74.21 H new ATOM 0 HG1 THR A 60 1.286 -8.956 1.884 1.00 40.43 H new ATOM 0 HG21 THR A 60 4.361 -8.797 3.725 1.00 30.05 H new ATOM 0 HG22 THR A 60 3.599 -8.026 5.136 1.00 30.05 H new ATOM 0 HG23 THR A 60 3.208 -9.713 4.725 1.00 30.05 H new ATOM 689 N GLU A 61 -0.833 -9.735 4.173 1.00 32.34 N ATOM 690 CA GLU A 61 -1.480 -11.029 4.353 1.00 35.53 C ATOM 691 C GLU A 61 -2.206 -11.457 3.080 1.00 4.24 C ATOM 692 O GLU A 61 -2.388 -10.661 2.158 1.00 20.04 O ATOM 693 CB GLU A 61 -2.468 -10.973 5.521 1.00 25.01 C ATOM 694 CG GLU A 61 -2.786 -12.335 6.115 1.00 13.20 C ATOM 695 CD GLU A 61 -2.662 -12.356 7.626 1.00 0.21 C ATOM 696 OE1 GLU A 61 -3.394 -11.595 8.293 1.00 74.51 O ATOM 697 OE2 GLU A 61 -1.832 -13.134 8.142 1.00 43.53 O ATOM 0 H GLU A 61 -1.441 -9.008 3.796 1.00 32.34 H new ATOM 0 HA GLU A 61 -0.707 -11.764 4.575 1.00 35.53 H new ATOM 0 HB2 GLU A 61 -2.059 -10.332 6.302 1.00 25.01 H new ATOM 0 HB3 GLU A 61 -3.394 -10.509 5.181 1.00 25.01 H new ATOM 0 HG2 GLU A 61 -3.799 -12.622 5.833 1.00 13.20 H new ATOM 0 HG3 GLU A 61 -2.113 -13.079 5.689 1.00 13.20 H new ATOM 704 N THR A 62 -2.617 -12.720 3.036 1.00 32.24 N ATOM 705 CA THR A 62 -3.320 -13.255 1.877 1.00 35.14 C ATOM 706 C THR A 62 -4.691 -13.796 2.267 1.00 13.14 C ATOM 707 O THR A 62 -4.800 -14.700 3.094 1.00 34.41 O ATOM 708 CB THR A 62 -2.513 -14.377 1.199 1.00 64.34 C ATOM 709 OG1 THR A 62 -1.356 -14.691 1.982 1.00 45.51 O ATOM 710 CG2 THR A 62 -2.086 -13.966 -0.203 1.00 15.25 C ATOM 0 H THR A 62 -2.475 -13.392 3.790 1.00 32.24 H new ATOM 0 HA THR A 62 -3.444 -12.431 1.175 1.00 35.14 H new ATOM 0 HB THR A 62 -3.151 -15.258 1.124 1.00 64.34 H new ATOM 0 HG1 THR A 62 -0.849 -15.407 1.545 1.00 45.51 H new ATOM 0 HG21 THR A 62 -1.517 -14.775 -0.662 1.00 15.25 H new ATOM 0 HG22 THR A 62 -2.970 -13.756 -0.806 1.00 15.25 H new ATOM 0 HG23 THR A 62 -1.465 -13.072 -0.147 1.00 15.25 H new ATOM 718 N GLY A 63 -5.737 -13.236 1.666 1.00 44.12 N ATOM 719 CA GLY A 63 -7.087 -13.676 1.963 1.00 11.24 C ATOM 720 C GLY A 63 -7.626 -14.637 0.923 1.00 72.22 C ATOM 721 O GLY A 63 -6.879 -15.130 0.078 1.00 11.23 O ATOM 0 H GLY A 63 -5.673 -12.485 0.979 1.00 44.12 H new ATOM 0 HA2 GLY A 63 -7.102 -14.158 2.941 1.00 11.24 H new ATOM 0 HA3 GLY A 63 -7.743 -12.808 2.026 1.00 11.24 H new ATOM 725 N GLU A 64 -8.927 -14.906 0.985 1.00 43.23 N ATOM 726 CA GLU A 64 -9.564 -15.817 0.041 1.00 24.12 C ATOM 727 C GLU A 64 -9.403 -15.317 -1.391 1.00 45.15 C ATOM 728 O GLU A 64 -9.469 -16.094 -2.343 1.00 3.10 O ATOM 729 CB GLU A 64 -11.049 -15.975 0.374 1.00 63.11 C ATOM 730 CG GLU A 64 -11.731 -17.091 -0.400 1.00 44.44 C ATOM 731 CD GLU A 64 -12.638 -17.936 0.472 1.00 20.10 C ATOM 732 OE1 GLU A 64 -12.269 -18.197 1.636 1.00 43.40 O ATOM 733 OE2 GLU A 64 -13.718 -18.337 -0.010 1.00 71.11 O ATOM 0 H GLU A 64 -9.559 -14.506 1.678 1.00 43.23 H new ATOM 0 HA GLU A 64 -9.075 -16.787 0.125 1.00 24.12 H new ATOM 0 HB2 GLU A 64 -11.155 -16.167 1.442 1.00 63.11 H new ATOM 0 HB3 GLU A 64 -11.561 -15.035 0.167 1.00 63.11 H new ATOM 0 HG2 GLU A 64 -12.314 -16.660 -1.214 1.00 44.44 H new ATOM 0 HG3 GLU A 64 -10.973 -17.729 -0.854 1.00 44.44 H new ATOM 740 N GLY A 65 -9.191 -14.012 -1.537 1.00 31.25 N ATOM 741 CA GLY A 65 -9.025 -13.430 -2.855 1.00 44.33 C ATOM 742 C GLY A 65 -7.580 -13.438 -3.315 1.00 31.04 C ATOM 743 O GLY A 65 -6.975 -14.499 -3.463 1.00 72.34 O ATOM 0 H GLY A 65 -9.131 -13.348 -0.765 1.00 31.25 H new ATOM 0 HA2 GLY A 65 -9.634 -13.981 -3.571 1.00 44.33 H new ATOM 0 HA3 GLY A 65 -9.394 -12.404 -2.845 1.00 44.33 H new ATOM 747 N ALA A 66 -7.026 -12.251 -3.542 1.00 32.55 N ATOM 748 CA ALA A 66 -5.644 -12.126 -3.986 1.00 62.34 C ATOM 749 C ALA A 66 -4.826 -11.290 -3.008 1.00 42.13 C ATOM 750 O ALA A 66 -3.973 -11.813 -2.292 1.00 31.03 O ATOM 751 CB ALA A 66 -5.591 -11.516 -5.379 1.00 2.40 C ATOM 0 H ALA A 66 -7.514 -11.363 -3.426 1.00 32.55 H new ATOM 0 HA ALA A 66 -5.208 -13.124 -4.022 1.00 62.34 H new ATOM 0 HB1 ALA A 66 -4.553 -11.428 -5.699 1.00 2.40 H new ATOM 0 HB2 ALA A 66 -6.133 -12.155 -6.077 1.00 2.40 H new ATOM 0 HB3 ALA A 66 -6.050 -10.527 -5.361 1.00 2.40 H new ATOM 757 N ALA A 67 -5.091 -9.988 -2.985 1.00 10.22 N ATOM 758 CA ALA A 67 -4.380 -9.079 -2.094 1.00 32.54 C ATOM 759 C ALA A 67 -5.086 -8.968 -0.746 1.00 62.04 C ATOM 760 O ALA A 67 -6.307 -8.827 -0.684 1.00 62.24 O ATOM 761 CB ALA A 67 -4.246 -7.707 -2.736 1.00 41.14 C ATOM 0 H ALA A 67 -5.793 -9.539 -3.573 1.00 10.22 H new ATOM 0 HA ALA A 67 -3.383 -9.485 -1.921 1.00 32.54 H new ATOM 0 HB1 ALA A 67 -3.713 -7.039 -2.059 1.00 41.14 H new ATOM 0 HB2 ALA A 67 -3.691 -7.795 -3.670 1.00 41.14 H new ATOM 0 HB3 ALA A 67 -5.237 -7.302 -2.939 1.00 41.14 H new ATOM 767 N ALA A 68 -4.309 -9.033 0.330 1.00 14.22 N ATOM 768 CA ALA A 68 -4.860 -8.938 1.676 1.00 14.23 C ATOM 769 C ALA A 68 -3.847 -8.334 2.643 1.00 72.20 C ATOM 770 O ALA A 68 -3.424 -8.984 3.600 1.00 53.43 O ATOM 771 CB ALA A 68 -5.305 -10.309 2.163 1.00 63.32 C ATOM 0 H ALA A 68 -3.296 -9.151 0.296 1.00 14.22 H new ATOM 0 HA ALA A 68 -5.727 -8.278 1.641 1.00 14.23 H new ATOM 0 HB1 ALA A 68 -5.714 -10.222 3.170 1.00 63.32 H new ATOM 0 HB2 ALA A 68 -6.069 -10.703 1.493 1.00 63.32 H new ATOM 0 HB3 ALA A 68 -4.450 -10.986 2.176 1.00 63.32 H new ATOM 777 N TYR A 69 -3.461 -7.089 2.387 1.00 73.32 N ATOM 778 CA TYR A 69 -2.495 -6.399 3.233 1.00 62.22 C ATOM 779 C TYR A 69 -3.155 -5.250 3.988 1.00 0.05 C ATOM 780 O TYR A 69 -4.241 -4.798 3.629 1.00 73.31 O ATOM 781 CB TYR A 69 -1.334 -5.870 2.390 1.00 42.45 C ATOM 782 CG TYR A 69 -1.116 -6.641 1.107 1.00 3.42 C ATOM 783 CD1 TYR A 69 -0.917 -8.016 1.126 1.00 50.32 C ATOM 784 CD2 TYR A 69 -1.107 -5.994 -0.123 1.00 33.25 C ATOM 785 CE1 TYR A 69 -0.717 -8.724 -0.043 1.00 63.40 C ATOM 786 CE2 TYR A 69 -0.909 -6.695 -1.296 1.00 53.14 C ATOM 787 CZ TYR A 69 -0.714 -8.060 -1.252 1.00 12.45 C ATOM 788 OH TYR A 69 -0.515 -8.761 -2.419 1.00 11.04 O ATOM 0 H TYR A 69 -3.802 -6.537 1.600 1.00 73.32 H new ATOM 0 HA TYR A 69 -2.111 -7.114 3.960 1.00 62.22 H new ATOM 0 HB2 TYR A 69 -1.519 -4.823 2.148 1.00 42.45 H new ATOM 0 HB3 TYR A 69 -0.420 -5.903 2.984 1.00 42.45 H new ATOM 0 HD1 TYR A 69 -0.919 -8.540 2.070 1.00 50.32 H new ATOM 0 HD2 TYR A 69 -1.257 -4.925 -0.162 1.00 33.25 H new ATOM 0 HE1 TYR A 69 -0.564 -9.793 -0.011 1.00 63.40 H new ATOM 0 HE2 TYR A 69 -0.907 -6.177 -2.244 1.00 53.14 H new ATOM 0 HH TYR A 69 -0.543 -8.144 -3.180 1.00 11.04 H new ATOM 798 N GLY A 70 -2.488 -4.781 5.039 1.00 15.20 N ATOM 799 CA GLY A 70 -3.024 -3.688 5.830 1.00 50.04 C ATOM 800 C GLY A 70 -1.941 -2.766 6.354 1.00 62.24 C ATOM 801 O GLY A 70 -1.063 -3.192 7.104 1.00 3.12 O ATOM 0 H GLY A 70 -1.587 -5.138 5.356 1.00 15.20 H new ATOM 0 HA2 GLY A 70 -3.724 -3.113 5.223 1.00 50.04 H new ATOM 0 HA3 GLY A 70 -3.589 -4.094 6.669 1.00 50.04 H new ATOM 805 N VAL A 71 -2.001 -1.499 5.956 1.00 22.13 N ATOM 806 CA VAL A 71 -1.017 -0.514 6.390 1.00 21.53 C ATOM 807 C VAL A 71 -1.587 0.389 7.478 1.00 4.11 C ATOM 808 O VAL A 71 -2.579 1.086 7.265 1.00 53.44 O ATOM 809 CB VAL A 71 -0.538 0.356 5.214 1.00 42.43 C ATOM 810 CG1 VAL A 71 -1.707 1.107 4.594 1.00 62.21 C ATOM 811 CG2 VAL A 71 0.544 1.323 5.672 1.00 33.24 C ATOM 0 H VAL A 71 -2.720 -1.131 5.334 1.00 22.13 H new ATOM 0 HA VAL A 71 -0.168 -1.069 6.790 1.00 21.53 H new ATOM 0 HB VAL A 71 -0.111 -0.297 4.453 1.00 42.43 H new ATOM 0 HG11 VAL A 71 -1.349 1.717 3.764 1.00 62.21 H new ATOM 0 HG12 VAL A 71 -2.445 0.393 4.228 1.00 62.21 H new ATOM 0 HG13 VAL A 71 -2.166 1.750 5.345 1.00 62.21 H new ATOM 0 HG21 VAL A 71 0.871 1.930 4.828 1.00 33.24 H new ATOM 0 HG22 VAL A 71 0.146 1.971 6.452 1.00 33.24 H new ATOM 0 HG23 VAL A 71 1.392 0.761 6.065 1.00 33.24 H new ATOM 821 N LEU A 72 -0.952 0.373 8.645 1.00 32.31 N ATOM 822 CA LEU A 72 -1.395 1.191 9.768 1.00 11.53 C ATOM 823 C LEU A 72 -0.483 2.400 9.954 1.00 54.21 C ATOM 824 O LEU A 72 0.731 2.308 9.774 1.00 1.43 O ATOM 825 CB LEU A 72 -1.425 0.359 11.051 1.00 10.03 C ATOM 826 CG LEU A 72 -0.640 -0.953 11.019 1.00 43.42 C ATOM 827 CD1 LEU A 72 -1.322 -1.961 10.107 1.00 1.30 C ATOM 828 CD2 LEU A 72 0.792 -0.706 10.567 1.00 3.21 C ATOM 0 H LEU A 72 -0.129 -0.198 8.838 1.00 32.31 H new ATOM 0 HA LEU A 72 -2.402 1.548 9.550 1.00 11.53 H new ATOM 0 HB2 LEU A 72 -1.038 0.971 11.866 1.00 10.03 H new ATOM 0 HB3 LEU A 72 -2.464 0.132 11.289 1.00 10.03 H new ATOM 0 HG LEU A 72 -0.616 -1.365 12.028 1.00 43.42 H new ATOM 0 HD11 LEU A 72 -0.749 -2.888 10.097 1.00 1.30 H new ATOM 0 HD12 LEU A 72 -2.329 -2.160 10.474 1.00 1.30 H new ATOM 0 HD13 LEU A 72 -1.377 -1.558 9.096 1.00 1.30 H new ATOM 0 HD21 LEU A 72 1.336 -1.650 10.550 1.00 3.21 H new ATOM 0 HD22 LEU A 72 0.788 -0.271 9.567 1.00 3.21 H new ATOM 0 HD23 LEU A 72 1.279 -0.019 11.259 1.00 3.21 H new ATOM 840 N VAL A 73 -1.077 3.533 10.317 1.00 72.23 N ATOM 841 CA VAL A 73 -0.319 4.759 10.530 1.00 5.44 C ATOM 842 C VAL A 73 -0.996 5.652 11.564 1.00 32.31 C ATOM 843 O VAL A 73 -2.117 6.119 11.359 1.00 41.22 O ATOM 844 CB VAL A 73 -0.148 5.549 9.219 1.00 10.42 C ATOM 845 CG1 VAL A 73 0.996 6.545 9.340 1.00 33.14 C ATOM 846 CG2 VAL A 73 0.081 4.601 8.052 1.00 22.02 C ATOM 0 H VAL A 73 -2.081 3.626 10.470 1.00 72.23 H new ATOM 0 HA VAL A 73 0.663 4.463 10.898 1.00 5.44 H new ATOM 0 HB VAL A 73 -1.065 6.107 9.030 1.00 10.42 H new ATOM 0 HG11 VAL A 73 1.101 7.094 8.404 1.00 33.14 H new ATOM 0 HG12 VAL A 73 0.785 7.245 10.149 1.00 33.14 H new ATOM 0 HG13 VAL A 73 1.922 6.011 9.554 1.00 33.14 H new ATOM 0 HG21 VAL A 73 0.200 5.176 7.134 1.00 22.02 H new ATOM 0 HG22 VAL A 73 0.982 4.014 8.231 1.00 22.02 H new ATOM 0 HG23 VAL A 73 -0.774 3.932 7.953 1.00 22.02 H new ATOM 856 N THR A 74 -0.309 5.886 12.678 1.00 63.42 N ATOM 857 CA THR A 74 -0.844 6.722 13.745 1.00 62.50 C ATOM 858 C THR A 74 0.229 7.048 14.778 1.00 73.20 C ATOM 859 O THR A 74 1.369 7.353 14.428 1.00 52.03 O ATOM 860 CB THR A 74 -2.030 6.039 14.452 1.00 54.44 C ATOM 861 OG1 THR A 74 -2.831 5.336 13.496 1.00 71.45 O ATOM 862 CG2 THR A 74 -2.886 7.063 15.182 1.00 14.00 C ATOM 0 H THR A 74 0.620 5.508 12.864 1.00 63.42 H new ATOM 0 HA THR A 74 -1.190 7.645 13.280 1.00 62.50 H new ATOM 0 HB THR A 74 -1.633 5.333 15.182 1.00 54.44 H new ATOM 0 HG1 THR A 74 -2.984 5.907 12.714 1.00 71.45 H new ATOM 0 HG21 THR A 74 -3.717 6.558 15.674 1.00 14.00 H new ATOM 0 HG22 THR A 74 -2.281 7.577 15.929 1.00 14.00 H new ATOM 0 HG23 THR A 74 -3.274 7.789 14.467 1.00 14.00 H new ATOM 870 N ARG A 75 -0.144 6.981 16.052 1.00 64.10 N ATOM 871 CA ARG A 75 0.787 7.270 17.136 1.00 23.01 C ATOM 872 C ARG A 75 1.357 5.981 17.722 1.00 50.22 C ATOM 873 O ARG A 75 0.712 4.933 17.723 1.00 34.34 O ATOM 874 CB ARG A 75 0.091 8.077 18.233 1.00 11.13 C ATOM 875 CG ARG A 75 -0.722 9.248 17.705 1.00 35.52 C ATOM 876 CD ARG A 75 -1.413 9.999 18.832 1.00 15.21 C ATOM 877 NE ARG A 75 -2.190 9.108 19.689 1.00 34.41 N ATOM 878 CZ ARG A 75 -2.775 9.497 20.816 1.00 14.13 C ATOM 879 NH1 ARG A 75 -2.672 10.756 21.220 1.00 74.20 N ATOM 880 NH2 ARG A 75 -3.466 8.627 21.542 1.00 23.30 N ATOM 0 H ARG A 75 -1.084 6.729 16.359 1.00 64.10 H new ATOM 0 HA ARG A 75 1.609 7.858 16.728 1.00 23.01 H new ATOM 0 HB2 ARG A 75 -0.565 7.415 18.798 1.00 11.13 H new ATOM 0 HB3 ARG A 75 0.842 8.451 18.929 1.00 11.13 H new ATOM 0 HG2 ARG A 75 -0.069 9.929 17.159 1.00 35.52 H new ATOM 0 HG3 ARG A 75 -1.467 8.885 16.997 1.00 35.52 H new ATOM 0 HD2 ARG A 75 -0.666 10.519 19.432 1.00 15.21 H new ATOM 0 HD3 ARG A 75 -2.070 10.760 18.411 1.00 15.21 H new ATOM 0 HE ARG A 75 -2.289 8.133 19.406 1.00 34.41 H new ATOM 0 HH11 ARG A 75 -2.143 11.428 20.665 1.00 74.20 H new ATOM 0 HH12 ARG A 75 -3.122 11.052 22.086 1.00 74.20 H new ATOM 0 HH21 ARG A 75 -3.548 7.658 21.235 1.00 23.30 H new ATOM 0 HH22 ARG A 75 -3.915 8.927 22.407 1.00 23.30 H new ATOM 894 N PRO A 76 2.595 6.059 18.231 1.00 45.02 N ATOM 895 CA PRO A 76 3.279 4.908 18.829 1.00 44.44 C ATOM 896 C PRO A 76 2.655 4.488 20.155 1.00 61.24 C ATOM 897 O PRO A 76 3.170 3.606 20.842 1.00 5.23 O ATOM 898 CB PRO A 76 4.706 5.418 19.047 1.00 41.10 C ATOM 899 CG PRO A 76 4.567 6.897 19.162 1.00 33.24 C ATOM 900 CD PRO A 76 3.423 7.276 18.262 1.00 4.44 C ATOM 0 HA PRO A 76 3.220 4.024 18.195 1.00 44.44 H new ATOM 0 HB2 PRO A 76 5.146 4.991 19.948 1.00 41.10 H new ATOM 0 HB3 PRO A 76 5.355 5.145 18.215 1.00 41.10 H new ATOM 0 HG2 PRO A 76 4.367 7.191 20.192 1.00 33.24 H new ATOM 0 HG3 PRO A 76 5.485 7.400 18.859 1.00 33.24 H new ATOM 0 HD2 PRO A 76 2.869 8.129 18.654 1.00 4.44 H new ATOM 0 HD3 PRO A 76 3.770 7.552 17.266 1.00 4.44 H new ATOM 908 N ASP A 77 1.543 5.123 20.508 1.00 41.15 N ATOM 909 CA ASP A 77 0.847 4.813 21.751 1.00 4.32 C ATOM 910 C ASP A 77 -0.018 3.567 21.594 1.00 64.30 C ATOM 911 O ASP A 77 -1.045 3.424 22.255 1.00 54.50 O ATOM 912 CB ASP A 77 -0.017 5.998 22.185 1.00 33.25 C ATOM 913 CG ASP A 77 0.748 6.992 23.036 1.00 41.41 C ATOM 914 OD1 ASP A 77 1.666 6.565 23.767 1.00 71.04 O ATOM 915 OD2 ASP A 77 0.429 8.198 22.971 1.00 11.33 O ATOM 0 H ASP A 77 1.104 5.856 19.951 1.00 41.15 H new ATOM 0 HA ASP A 77 1.596 4.618 22.519 1.00 4.32 H new ATOM 0 HB2 ASP A 77 -0.405 6.504 21.301 1.00 33.25 H new ATOM 0 HB3 ASP A 77 -0.877 5.631 22.745 1.00 33.25 H new ATOM 920 N GLY A 78 0.406 2.666 20.713 1.00 71.34 N ATOM 921 CA GLY A 78 -0.342 1.443 20.483 1.00 11.44 C ATOM 922 C GLY A 78 -1.593 1.675 19.659 1.00 44.14 C ATOM 923 O GLY A 78 -2.241 0.725 19.219 1.00 33.11 O ATOM 0 H GLY A 78 1.254 2.761 20.154 1.00 71.34 H new ATOM 0 HA2 GLY A 78 0.296 0.721 19.974 1.00 11.44 H new ATOM 0 HA3 GLY A 78 -0.618 1.004 21.442 1.00 11.44 H new ATOM 927 N THR A 79 -1.935 2.942 19.448 1.00 3.51 N ATOM 928 CA THR A 79 -3.117 3.296 18.673 1.00 13.43 C ATOM 929 C THR A 79 -2.749 3.644 17.236 1.00 42.53 C ATOM 930 O THR A 79 -2.142 4.683 16.975 1.00 40.43 O ATOM 931 CB THR A 79 -3.865 4.487 19.302 1.00 33.03 C ATOM 932 OG1 THR A 79 -3.134 5.698 19.079 1.00 34.10 O ATOM 933 CG2 THR A 79 -4.061 4.275 20.796 1.00 73.02 C ATOM 0 H THR A 79 -1.409 3.741 19.804 1.00 3.51 H new ATOM 0 HA THR A 79 -3.770 2.423 18.676 1.00 13.43 H new ATOM 0 HB THR A 79 -4.845 4.562 18.830 1.00 33.03 H new ATOM 0 HG1 THR A 79 -2.932 5.787 18.124 1.00 34.10 H new ATOM 0 HG21 THR A 79 -4.591 5.129 21.218 1.00 73.02 H new ATOM 0 HG22 THR A 79 -4.643 3.368 20.962 1.00 73.02 H new ATOM 0 HG23 THR A 79 -3.089 4.176 21.280 1.00 73.02 H new ATOM 941 N ARG A 80 -3.120 2.770 16.306 1.00 21.03 N ATOM 942 CA ARG A 80 -2.828 2.985 14.894 1.00 5.44 C ATOM 943 C ARG A 80 -4.027 2.612 14.028 1.00 42.53 C ATOM 944 O ARG A 80 -4.919 1.884 14.464 1.00 45.24 O ATOM 945 CB ARG A 80 -1.606 2.166 14.474 1.00 72.13 C ATOM 946 CG ARG A 80 -1.273 1.034 15.432 1.00 43.11 C ATOM 947 CD ARG A 80 -1.298 -0.315 14.731 1.00 60.12 C ATOM 948 NE ARG A 80 -2.519 -0.505 13.953 1.00 53.11 N ATOM 949 CZ ARG A 80 -3.724 -0.634 14.497 1.00 73.44 C ATOM 950 NH1 ARG A 80 -3.869 -0.594 15.814 1.00 64.30 N ATOM 951 NH2 ARG A 80 -4.788 -0.804 13.722 1.00 33.01 N ATOM 0 H ARG A 80 -3.624 1.906 16.505 1.00 21.03 H new ATOM 0 HA ARG A 80 -2.614 4.044 14.750 1.00 5.44 H new ATOM 0 HB2 ARG A 80 -1.781 1.751 13.481 1.00 72.13 H new ATOM 0 HB3 ARG A 80 -0.744 2.829 14.395 1.00 72.13 H new ATOM 0 HG2 ARG A 80 -0.287 1.201 15.866 1.00 43.11 H new ATOM 0 HG3 ARG A 80 -1.987 1.031 16.255 1.00 43.11 H new ATOM 0 HD2 ARG A 80 -0.433 -0.398 14.073 1.00 60.12 H new ATOM 0 HD3 ARG A 80 -1.213 -1.110 15.472 1.00 60.12 H new ATOM 0 HE ARG A 80 -2.442 -0.541 12.936 1.00 53.11 H new ATOM 0 HH11 ARG A 80 -3.054 -0.464 16.413 1.00 64.30 H new ATOM 0 HH12 ARG A 80 -4.796 -0.693 16.228 1.00 64.30 H new ATOM 0 HH21 ARG A 80 -4.681 -0.836 12.708 1.00 33.01 H new ATOM 0 HH22 ARG A 80 -5.713 -0.903 14.140 1.00 33.01 H new ATOM 965 N VAL A 81 -4.042 3.117 12.798 1.00 2.41 N ATOM 966 CA VAL A 81 -5.131 2.837 11.870 1.00 44.21 C ATOM 967 C VAL A 81 -4.660 1.952 10.722 1.00 63.34 C ATOM 968 O VAL A 81 -4.017 2.424 9.785 1.00 61.03 O ATOM 969 CB VAL A 81 -5.724 4.136 11.292 1.00 21.12 C ATOM 970 CG1 VAL A 81 -6.520 4.878 12.355 1.00 52.14 C ATOM 971 CG2 VAL A 81 -4.622 5.019 10.726 1.00 20.22 C ATOM 0 H VAL A 81 -3.312 3.722 12.422 1.00 2.41 H new ATOM 0 HA VAL A 81 -5.902 2.314 12.435 1.00 44.21 H new ATOM 0 HB VAL A 81 -6.402 3.876 10.480 1.00 21.12 H new ATOM 0 HG11 VAL A 81 -6.931 5.793 11.929 1.00 52.14 H new ATOM 0 HG12 VAL A 81 -7.334 4.245 12.709 1.00 52.14 H new ATOM 0 HG13 VAL A 81 -5.866 5.129 13.190 1.00 52.14 H new ATOM 0 HG21 VAL A 81 -5.059 5.932 10.322 1.00 20.22 H new ATOM 0 HG22 VAL A 81 -3.917 5.273 11.517 1.00 20.22 H new ATOM 0 HG23 VAL A 81 -4.099 4.485 9.932 1.00 20.22 H new ATOM 981 N GLU A 82 -4.985 0.665 10.802 1.00 50.23 N ATOM 982 CA GLU A 82 -4.594 -0.286 9.768 1.00 34.53 C ATOM 983 C GLU A 82 -5.572 -0.250 8.597 1.00 10.42 C ATOM 984 O GLU A 82 -6.774 -0.454 8.770 1.00 3.13 O ATOM 985 CB GLU A 82 -4.527 -1.702 10.346 1.00 0.42 C ATOM 986 CG GLU A 82 -4.343 -2.781 9.293 1.00 64.11 C ATOM 987 CD GLU A 82 -5.660 -3.283 8.735 1.00 34.34 C ATOM 988 OE1 GLU A 82 -6.670 -3.243 9.470 1.00 64.44 O ATOM 989 OE2 GLU A 82 -5.682 -3.716 7.564 1.00 22.21 O ATOM 0 H GLU A 82 -5.517 0.258 11.571 1.00 50.23 H new ATOM 0 HA GLU A 82 -3.607 -0.002 9.404 1.00 34.53 H new ATOM 0 HB2 GLU A 82 -3.703 -1.756 11.058 1.00 0.42 H new ATOM 0 HB3 GLU A 82 -5.443 -1.902 10.903 1.00 0.42 H new ATOM 0 HG2 GLU A 82 -3.734 -2.388 8.479 1.00 64.11 H new ATOM 0 HG3 GLU A 82 -3.794 -3.617 9.727 1.00 64.11 H new ATOM 996 N VAL A 83 -5.048 0.013 7.404 1.00 3.12 N ATOM 997 CA VAL A 83 -5.873 0.077 6.204 1.00 63.43 C ATOM 998 C VAL A 83 -5.853 -1.250 5.452 1.00 2.25 C ATOM 999 O VAL A 83 -4.841 -1.624 4.858 1.00 32.12 O ATOM 1000 CB VAL A 83 -5.402 1.197 5.258 1.00 65.04 C ATOM 1001 CG1 VAL A 83 -6.526 1.615 4.323 1.00 54.00 C ATOM 1002 CG2 VAL A 83 -4.890 2.387 6.055 1.00 2.00 C ATOM 0 H VAL A 83 -4.056 0.185 7.243 1.00 3.12 H new ATOM 0 HA VAL A 83 -6.891 0.291 6.531 1.00 63.43 H new ATOM 0 HB VAL A 83 -4.581 0.815 4.651 1.00 65.04 H new ATOM 0 HG11 VAL A 83 -6.174 2.407 3.662 1.00 54.00 H new ATOM 0 HG12 VAL A 83 -6.841 0.758 3.727 1.00 54.00 H new ATOM 0 HG13 VAL A 83 -7.370 1.979 4.909 1.00 54.00 H new ATOM 0 HG21 VAL A 83 -4.561 3.169 5.371 1.00 2.00 H new ATOM 0 HG22 VAL A 83 -5.689 2.772 6.688 1.00 2.00 H new ATOM 0 HG23 VAL A 83 -4.052 2.074 6.678 1.00 2.00 H new ATOM 1012 N HIS A 84 -6.978 -1.958 5.483 1.00 44.44 N ATOM 1013 CA HIS A 84 -7.090 -3.243 4.803 1.00 32.40 C ATOM 1014 C HIS A 84 -7.330 -3.049 3.309 1.00 43.02 C ATOM 1015 O HIS A 84 -8.311 -2.424 2.903 1.00 63.43 O ATOM 1016 CB HIS A 84 -8.226 -4.067 5.410 1.00 22.45 C ATOM 1017 CG HIS A 84 -9.395 -3.242 5.852 1.00 0.00 C ATOM 1018 ND1 HIS A 84 -9.485 -2.674 7.105 1.00 5.41 N ATOM 1019 CD2 HIS A 84 -10.527 -2.889 5.199 1.00 45.24 C ATOM 1020 CE1 HIS A 84 -10.621 -2.008 7.204 1.00 53.10 C ATOM 1021 NE2 HIS A 84 -11.272 -2.122 6.060 1.00 30.43 N ATOM 0 H HIS A 84 -7.824 -1.664 5.971 1.00 44.44 H new ATOM 0 HA HIS A 84 -6.150 -3.779 4.935 1.00 32.40 H new ATOM 0 HB2 HIS A 84 -8.565 -4.799 4.677 1.00 22.45 H new ATOM 0 HB3 HIS A 84 -7.843 -4.626 6.264 1.00 22.45 H new ATOM 0 HD1 HIS A 84 -8.783 -2.755 7.841 1.00 5.41 H new ATOM 0 HD2 HIS A 84 -10.794 -3.160 4.188 1.00 45.24 H new ATOM 0 HE1 HIS A 84 -10.960 -1.463 8.072 1.00 53.10 H new ATOM 1029 N LEU A 85 -6.428 -3.587 2.495 1.00 3.32 N ATOM 1030 CA LEU A 85 -6.540 -3.472 1.045 1.00 13.13 C ATOM 1031 C LEU A 85 -6.629 -4.849 0.395 1.00 12.03 C ATOM 1032 O LEU A 85 -5.697 -5.648 0.481 1.00 64.12 O ATOM 1033 CB LEU A 85 -5.344 -2.705 0.480 1.00 5.12 C ATOM 1034 CG LEU A 85 -3.963 -3.262 0.830 1.00 13.04 C ATOM 1035 CD1 LEU A 85 -3.028 -3.160 -0.364 1.00 44.31 C ATOM 1036 CD2 LEU A 85 -3.381 -2.529 2.030 1.00 32.34 C ATOM 0 H LEU A 85 -5.611 -4.107 2.815 1.00 3.32 H new ATOM 0 HA LEU A 85 -7.454 -2.924 0.819 1.00 13.13 H new ATOM 0 HB2 LEU A 85 -5.437 -2.675 -0.606 1.00 5.12 H new ATOM 0 HB3 LEU A 85 -5.399 -1.675 0.833 1.00 5.12 H new ATOM 0 HG LEU A 85 -4.072 -4.315 1.090 1.00 13.04 H new ATOM 0 HD11 LEU A 85 -2.051 -3.561 -0.096 1.00 44.31 H new ATOM 0 HD12 LEU A 85 -3.438 -3.731 -1.197 1.00 44.31 H new ATOM 0 HD13 LEU A 85 -2.924 -2.115 -0.656 1.00 44.31 H new ATOM 0 HD21 LEU A 85 -2.398 -2.938 2.265 1.00 32.34 H new ATOM 0 HD22 LEU A 85 -3.286 -1.468 1.798 1.00 32.34 H new ATOM 0 HD23 LEU A 85 -4.041 -2.655 2.888 1.00 32.34 H new ATOM 1048 N ASP A 86 -7.755 -5.119 -0.256 1.00 14.54 N ATOM 1049 CA ASP A 86 -7.965 -6.398 -0.924 1.00 10.25 C ATOM 1050 C ASP A 86 -8.378 -6.191 -2.377 1.00 41.44 C ATOM 1051 O ASP A 86 -9.453 -5.660 -2.658 1.00 60.40 O ATOM 1052 CB ASP A 86 -9.031 -7.212 -0.189 1.00 21.32 C ATOM 1053 CG ASP A 86 -8.997 -8.681 -0.563 1.00 32.11 C ATOM 1054 OD1 ASP A 86 -8.640 -8.991 -1.719 1.00 32.21 O ATOM 1055 OD2 ASP A 86 -9.327 -9.520 0.301 1.00 61.54 O ATOM 0 H ASP A 86 -8.537 -4.469 -0.335 1.00 14.54 H new ATOM 0 HA ASP A 86 -7.024 -6.947 -0.908 1.00 10.25 H new ATOM 0 HB2 ASP A 86 -8.885 -7.110 0.886 1.00 21.32 H new ATOM 0 HB3 ASP A 86 -10.016 -6.805 -0.416 1.00 21.32 H new ATOM 1060 N ARG A 87 -7.516 -6.611 -3.298 1.00 32.24 N ATOM 1061 CA ARG A 87 -7.790 -6.470 -4.722 1.00 54.55 C ATOM 1062 C ARG A 87 -8.933 -7.387 -5.150 1.00 45.42 C ATOM 1063 O ARG A 87 -9.294 -7.438 -6.326 1.00 1.30 O ATOM 1064 CB ARG A 87 -6.536 -6.785 -5.539 1.00 23.12 C ATOM 1065 CG ARG A 87 -6.716 -6.585 -7.035 1.00 11.13 C ATOM 1066 CD ARG A 87 -6.720 -7.912 -7.778 1.00 5.41 C ATOM 1067 NE ARG A 87 -7.435 -7.825 -9.048 1.00 62.52 N ATOM 1068 CZ ARG A 87 -7.765 -8.884 -9.779 1.00 32.51 C ATOM 1069 NH1 ARG A 87 -7.447 -10.104 -9.367 1.00 4.21 N ATOM 1070 NH2 ARG A 87 -8.416 -8.725 -10.924 1.00 51.02 N ATOM 0 H ARG A 87 -6.622 -7.052 -3.082 1.00 32.24 H new ATOM 0 HA ARG A 87 -8.086 -5.438 -4.908 1.00 54.55 H new ATOM 0 HB2 ARG A 87 -5.719 -6.152 -5.192 1.00 23.12 H new ATOM 0 HB3 ARG A 87 -6.241 -7.818 -5.352 1.00 23.12 H new ATOM 0 HG2 ARG A 87 -7.652 -6.059 -7.223 1.00 11.13 H new ATOM 0 HG3 ARG A 87 -5.913 -5.955 -7.418 1.00 11.13 H new ATOM 0 HD2 ARG A 87 -5.693 -8.228 -7.961 1.00 5.41 H new ATOM 0 HD3 ARG A 87 -7.182 -8.676 -7.153 1.00 5.41 H new ATOM 0 HE ARG A 87 -7.695 -6.901 -9.393 1.00 62.52 H new ATOM 0 HH11 ARG A 87 -6.948 -10.231 -8.487 1.00 4.21 H new ATOM 0 HH12 ARG A 87 -7.702 -10.915 -9.930 1.00 4.21 H new ATOM 0 HH21 ARG A 87 -8.664 -7.789 -11.244 1.00 51.02 H new ATOM 0 HH22 ARG A 87 -8.669 -9.539 -11.484 1.00 51.02 H new ATOM 1084 N ASP A 88 -9.496 -8.109 -4.188 1.00 62.33 N ATOM 1085 CA ASP A 88 -10.597 -9.024 -4.465 1.00 32.33 C ATOM 1086 C ASP A 88 -11.870 -8.255 -4.805 1.00 70.40 C ATOM 1087 O ASP A 88 -12.846 -8.832 -5.286 1.00 42.44 O ATOM 1088 CB ASP A 88 -10.844 -9.937 -3.263 1.00 21.14 C ATOM 1089 CG ASP A 88 -11.843 -11.037 -3.566 1.00 5.31 C ATOM 1090 OD1 ASP A 88 -12.153 -11.245 -4.758 1.00 2.42 O ATOM 1091 OD2 ASP A 88 -12.313 -11.690 -2.612 1.00 31.04 O ATOM 0 H ASP A 88 -9.208 -8.079 -3.210 1.00 62.33 H new ATOM 0 HA ASP A 88 -10.322 -9.635 -5.325 1.00 32.33 H new ATOM 0 HB2 ASP A 88 -9.900 -10.384 -2.950 1.00 21.14 H new ATOM 0 HB3 ASP A 88 -11.208 -9.341 -2.426 1.00 21.14 H new ATOM 1096 N PHE A 89 -11.853 -6.951 -4.551 1.00 33.24 N ATOM 1097 CA PHE A 89 -13.007 -6.103 -4.828 1.00 22.30 C ATOM 1098 C PHE A 89 -12.663 -4.632 -4.617 1.00 15.43 C ATOM 1099 O PHE A 89 -12.156 -3.966 -5.519 1.00 43.12 O ATOM 1100 CB PHE A 89 -14.183 -6.498 -3.933 1.00 14.21 C ATOM 1101 CG PHE A 89 -13.799 -7.414 -2.807 1.00 20.23 C ATOM 1102 CD1 PHE A 89 -12.898 -7.003 -1.838 1.00 44.01 C ATOM 1103 CD2 PHE A 89 -14.339 -8.687 -2.717 1.00 65.30 C ATOM 1104 CE1 PHE A 89 -12.542 -7.844 -0.800 1.00 40.32 C ATOM 1105 CE2 PHE A 89 -13.987 -9.532 -1.681 1.00 70.23 C ATOM 1106 CZ PHE A 89 -13.087 -9.110 -0.722 1.00 63.44 C ATOM 0 H PHE A 89 -11.053 -6.458 -4.154 1.00 33.24 H new ATOM 0 HA PHE A 89 -13.290 -6.245 -5.871 1.00 22.30 H new ATOM 0 HB2 PHE A 89 -14.633 -5.596 -3.519 1.00 14.21 H new ATOM 0 HB3 PHE A 89 -14.945 -6.984 -4.542 1.00 14.21 H new ATOM 0 HD1 PHE A 89 -12.469 -6.014 -1.894 1.00 44.01 H new ATOM 0 HD2 PHE A 89 -15.043 -9.023 -3.464 1.00 65.30 H new ATOM 0 HE1 PHE A 89 -11.839 -7.511 -0.051 1.00 40.32 H new ATOM 0 HE2 PHE A 89 -14.416 -10.522 -1.622 1.00 70.23 H new ATOM 0 HZ PHE A 89 -12.810 -9.769 0.087 1.00 63.44 H new ATOM 1116 N ARG A 90 -12.945 -4.131 -3.418 1.00 50.33 N ATOM 1117 CA ARG A 90 -12.668 -2.738 -3.088 1.00 52.12 C ATOM 1118 C ARG A 90 -12.381 -2.579 -1.598 1.00 33.11 C ATOM 1119 O ARG A 90 -12.669 -1.538 -1.007 1.00 63.01 O ATOM 1120 CB ARG A 90 -13.850 -1.852 -3.488 1.00 65.22 C ATOM 1121 CG ARG A 90 -15.204 -2.497 -3.245 1.00 72.20 C ATOM 1122 CD ARG A 90 -15.444 -2.747 -1.764 1.00 74.24 C ATOM 1123 NE ARG A 90 -16.859 -2.648 -1.415 1.00 1.11 N ATOM 1124 CZ ARG A 90 -17.320 -2.775 -0.176 1.00 14.32 C ATOM 1125 NH1 ARG A 90 -16.484 -3.004 0.827 1.00 65.04 N ATOM 1126 NH2 ARG A 90 -18.622 -2.672 0.063 1.00 43.54 N ATOM 0 H ARG A 90 -13.365 -4.669 -2.660 1.00 50.33 H new ATOM 0 HA ARG A 90 -11.785 -2.427 -3.646 1.00 52.12 H new ATOM 0 HB2 ARG A 90 -13.797 -0.917 -2.930 1.00 65.22 H new ATOM 0 HB3 ARG A 90 -13.762 -1.599 -4.544 1.00 65.22 H new ATOM 0 HG2 ARG A 90 -15.991 -1.853 -3.639 1.00 72.20 H new ATOM 0 HG3 ARG A 90 -15.262 -3.440 -3.788 1.00 72.20 H new ATOM 0 HD2 ARG A 90 -15.074 -3.737 -1.499 1.00 74.24 H new ATOM 0 HD3 ARG A 90 -14.875 -2.026 -1.178 1.00 74.24 H new ATOM 0 HE ARG A 90 -17.529 -2.472 -2.163 1.00 1.11 H new ATOM 0 HH11 ARG A 90 -15.483 -3.083 0.649 1.00 65.04 H new ATOM 0 HH12 ARG A 90 -16.842 -3.101 1.777 1.00 65.04 H new ATOM 0 HH21 ARG A 90 -19.269 -2.495 -0.705 1.00 43.54 H new ATOM 0 HH22 ARG A 90 -18.975 -2.770 1.015 1.00 43.54 H new ATOM 1140 N VAL A 91 -11.813 -3.619 -0.996 1.00 33.23 N ATOM 1141 CA VAL A 91 -11.487 -3.595 0.425 1.00 21.32 C ATOM 1142 C VAL A 91 -10.220 -2.788 0.685 1.00 51.14 C ATOM 1143 O VAL A 91 -9.147 -3.350 0.906 1.00 23.24 O ATOM 1144 CB VAL A 91 -11.298 -5.019 0.982 1.00 71.14 C ATOM 1145 CG1 VAL A 91 -10.248 -5.027 2.082 1.00 34.54 C ATOM 1146 CG2 VAL A 91 -12.621 -5.571 1.491 1.00 61.42 C ATOM 0 H VAL A 91 -11.569 -4.489 -1.470 1.00 33.23 H new ATOM 0 HA VAL A 91 -12.327 -3.122 0.934 1.00 21.32 H new ATOM 0 HB VAL A 91 -10.948 -5.663 0.175 1.00 71.14 H new ATOM 0 HG11 VAL A 91 -10.128 -6.041 2.463 1.00 34.54 H new ATOM 0 HG12 VAL A 91 -9.298 -4.676 1.680 1.00 34.54 H new ATOM 0 HG13 VAL A 91 -10.565 -4.370 2.892 1.00 34.54 H new ATOM 0 HG21 VAL A 91 -12.469 -6.578 1.881 1.00 61.42 H new ATOM 0 HG22 VAL A 91 -13.002 -4.928 2.284 1.00 61.42 H new ATOM 0 HG23 VAL A 91 -13.341 -5.603 0.673 1.00 61.42 H new ATOM 1156 N LEU A 92 -10.351 -1.466 0.656 1.00 73.32 N ATOM 1157 CA LEU A 92 -9.217 -0.580 0.889 1.00 44.53 C ATOM 1158 C LEU A 92 -9.468 0.322 2.093 1.00 53.11 C ATOM 1159 O LEU A 92 -8.806 1.346 2.264 1.00 62.31 O ATOM 1160 CB LEU A 92 -8.947 0.272 -0.353 1.00 4.20 C ATOM 1161 CG LEU A 92 -8.816 -0.488 -1.673 1.00 71.21 C ATOM 1162 CD1 LEU A 92 -8.261 -1.883 -1.433 1.00 23.41 C ATOM 1163 CD2 LEU A 92 -10.161 -0.562 -2.381 1.00 71.22 C ATOM 0 H LEU A 92 -11.232 -0.985 0.473 1.00 73.32 H new ATOM 0 HA LEU A 92 -8.343 -1.197 1.097 1.00 44.53 H new ATOM 0 HB2 LEU A 92 -9.754 0.998 -0.453 1.00 4.20 H new ATOM 0 HB3 LEU A 92 -8.029 0.836 -0.189 1.00 4.20 H new ATOM 0 HG LEU A 92 -8.119 0.053 -2.314 1.00 71.21 H new ATOM 0 HD11 LEU A 92 -8.175 -2.409 -2.384 1.00 23.41 H new ATOM 0 HD12 LEU A 92 -7.277 -1.808 -0.969 1.00 23.41 H new ATOM 0 HD13 LEU A 92 -8.932 -2.433 -0.774 1.00 23.41 H new ATOM 0 HD21 LEU A 92 -10.049 -1.106 -3.319 1.00 71.22 H new ATOM 0 HD22 LEU A 92 -10.879 -1.079 -1.745 1.00 71.22 H new ATOM 0 HD23 LEU A 92 -10.519 0.446 -2.587 1.00 71.22 H new ATOM 1175 N ASP A 93 -10.428 -0.066 2.926 1.00 62.04 N ATOM 1176 CA ASP A 93 -10.765 0.705 4.116 1.00 1.35 C ATOM 1177 C ASP A 93 -9.790 0.407 5.251 1.00 2.21 C ATOM 1178 O ASP A 93 -9.013 -0.546 5.183 1.00 33.32 O ATOM 1179 CB ASP A 93 -12.195 0.397 4.562 1.00 31.51 C ATOM 1180 CG ASP A 93 -13.195 1.411 4.044 1.00 41.34 C ATOM 1181 OD1 ASP A 93 -13.049 1.848 2.883 1.00 71.52 O ATOM 1182 OD2 ASP A 93 -14.123 1.770 4.799 1.00 62.01 O ATOM 0 H ASP A 93 -10.986 -0.910 2.798 1.00 62.04 H new ATOM 0 HA ASP A 93 -10.691 1.763 3.866 1.00 1.35 H new ATOM 0 HB2 ASP A 93 -12.475 -0.597 4.212 1.00 31.51 H new ATOM 0 HB3 ASP A 93 -12.236 0.375 5.651 1.00 31.51 H new ATOM 1187 N THR A 94 -9.834 1.230 6.294 1.00 12.04 N ATOM 1188 CA THR A 94 -8.954 1.056 7.443 1.00 43.42 C ATOM 1189 C THR A 94 -9.754 0.866 8.726 1.00 75.53 C ATOM 1190 O THR A 94 -10.969 1.061 8.744 1.00 12.12 O ATOM 1191 CB THR A 94 -8.010 2.262 7.615 1.00 72.25 C ATOM 1192 OG1 THR A 94 -7.204 2.090 8.786 1.00 52.04 O ATOM 1193 CG2 THR A 94 -8.801 3.557 7.722 1.00 21.14 C ATOM 0 H THR A 94 -10.470 2.024 6.367 1.00 12.04 H new ATOM 0 HA THR A 94 -8.360 0.162 7.253 1.00 43.42 H new ATOM 0 HB THR A 94 -7.366 2.320 6.737 1.00 72.25 H new ATOM 0 HG1 THR A 94 -6.396 2.639 8.710 1.00 52.04 H new ATOM 0 HG21 THR A 94 -8.114 4.394 7.843 1.00 21.14 H new ATOM 0 HG22 THR A 94 -9.390 3.699 6.816 1.00 21.14 H new ATOM 0 HG23 THR A 94 -9.467 3.507 8.584 1.00 21.14 H new ATOM 1201 N GLU A 95 -9.066 0.483 9.797 1.00 43.25 N ATOM 1202 CA GLU A 95 -9.715 0.266 11.084 1.00 1.11 C ATOM 1203 C GLU A 95 -8.811 0.709 12.231 1.00 65.42 C ATOM 1204 O GLU A 95 -7.781 0.096 12.514 1.00 3.45 O ATOM 1205 CB GLU A 95 -10.084 -1.209 11.252 1.00 74.33 C ATOM 1206 CG GLU A 95 -10.931 -1.489 12.482 1.00 1.32 C ATOM 1207 CD GLU A 95 -12.390 -1.130 12.280 1.00 73.40 C ATOM 1208 OE1 GLU A 95 -12.663 -0.037 11.742 1.00 41.24 O ATOM 1209 OE2 GLU A 95 -13.259 -1.942 12.660 1.00 74.40 O ATOM 0 H GLU A 95 -8.060 0.317 9.799 1.00 43.25 H new ATOM 0 HA GLU A 95 -10.625 0.866 11.109 1.00 1.11 H new ATOM 0 HB2 GLU A 95 -10.624 -1.543 10.366 1.00 74.33 H new ATOM 0 HB3 GLU A 95 -9.169 -1.799 11.309 1.00 74.33 H new ATOM 0 HG2 GLU A 95 -10.853 -2.545 12.739 1.00 1.32 H new ATOM 0 HG3 GLU A 95 -10.536 -0.925 13.327 1.00 1.32 H new ATOM 1216 N PRO A 96 -9.203 1.799 12.906 1.00 31.25 N ATOM 1217 CA PRO A 96 -8.443 2.348 14.033 1.00 42.41 C ATOM 1218 C PRO A 96 -8.495 1.448 15.262 1.00 32.41 C ATOM 1219 O PRO A 96 -9.501 1.406 15.970 1.00 61.40 O ATOM 1220 CB PRO A 96 -9.141 3.681 14.316 1.00 34.40 C ATOM 1221 CG PRO A 96 -10.530 3.495 13.810 1.00 13.01 C ATOM 1222 CD PRO A 96 -10.420 2.579 12.623 1.00 23.51 C ATOM 0 HA PRO A 96 -7.383 2.447 13.799 1.00 42.41 H new ATOM 0 HB2 PRO A 96 -9.135 3.913 15.381 1.00 34.40 H new ATOM 0 HB3 PRO A 96 -8.641 4.506 13.808 1.00 34.40 H new ATOM 0 HG2 PRO A 96 -11.170 3.062 14.579 1.00 13.01 H new ATOM 0 HG3 PRO A 96 -10.973 4.450 13.526 1.00 13.01 H new ATOM 0 HD2 PRO A 96 -11.296 1.937 12.528 1.00 23.51 H new ATOM 0 HD3 PRO A 96 -10.332 3.138 11.691 1.00 23.51 H new ATOM 1230 N ALA A 97 -7.405 0.729 15.510 1.00 33.32 N ATOM 1231 CA ALA A 97 -7.327 -0.169 16.656 1.00 62.34 C ATOM 1232 C ALA A 97 -6.247 0.281 17.633 1.00 1.34 C ATOM 1233 O ALA A 97 -5.587 1.298 17.419 1.00 41.22 O ATOM 1234 CB ALA A 97 -7.061 -1.594 16.192 1.00 3.11 C ATOM 0 H ALA A 97 -6.564 0.751 14.933 1.00 33.32 H new ATOM 0 HA ALA A 97 -8.285 -0.140 17.175 1.00 62.34 H new ATOM 0 HB1 ALA A 97 -7.005 -2.254 17.058 1.00 3.11 H new ATOM 0 HB2 ALA A 97 -7.870 -1.921 15.538 1.00 3.11 H new ATOM 0 HB3 ALA A 97 -6.117 -1.629 15.647 1.00 3.11 H new ATOM 1240 N ASP A 98 -6.073 -0.481 18.707 1.00 5.03 N ATOM 1241 CA ASP A 98 -5.072 -0.160 19.719 1.00 60.05 C ATOM 1242 C ASP A 98 -4.138 -1.343 19.953 1.00 20.15 C ATOM 1243 O ASP A 98 -3.980 -2.203 19.089 1.00 62.55 O ATOM 1244 CB ASP A 98 -5.751 0.238 21.030 1.00 42.10 C ATOM 1245 CG ASP A 98 -6.986 1.089 20.808 1.00 44.13 C ATOM 1246 OD1 ASP A 98 -6.842 2.221 20.300 1.00 73.44 O ATOM 1247 OD2 ASP A 98 -8.095 0.624 21.143 1.00 74.24 O ATOM 0 H ASP A 98 -6.612 -1.325 18.900 1.00 5.03 H new ATOM 0 HA ASP A 98 -4.480 0.680 19.356 1.00 60.05 H new ATOM 0 HB2 ASP A 98 -6.027 -0.661 21.580 1.00 42.10 H new ATOM 0 HB3 ASP A 98 -5.042 0.786 21.651 1.00 42.10 H new ATOM 1252 N GLY A 99 -3.520 -1.378 21.130 1.00 31.44 N ATOM 1253 CA GLY A 99 -2.608 -2.459 21.457 1.00 35.14 C ATOM 1254 C GLY A 99 -3.308 -3.801 21.548 1.00 14.43 C ATOM 1255 O GLY A 99 -2.661 -4.848 21.546 1.00 41.35 O ATOM 0 H GLY A 99 -3.635 -0.677 21.862 1.00 31.44 H new ATOM 0 HA2 GLY A 99 -1.825 -2.511 20.700 1.00 35.14 H new ATOM 0 HA3 GLY A 99 -2.119 -2.243 22.407 1.00 35.14 H new ATOM 1259 N ASP A 100 -4.634 -3.770 21.631 1.00 41.13 N ATOM 1260 CA ASP A 100 -5.423 -4.993 21.724 1.00 64.03 C ATOM 1261 C ASP A 100 -5.815 -5.493 20.337 1.00 33.11 C ATOM 1262 O ASP A 100 -5.576 -6.650 19.992 1.00 13.34 O ATOM 1263 CB ASP A 100 -6.676 -4.754 22.567 1.00 20.01 C ATOM 1264 CG ASP A 100 -6.514 -5.239 23.995 1.00 53.54 C ATOM 1265 OD1 ASP A 100 -6.263 -6.447 24.186 1.00 42.53 O ATOM 1266 OD2 ASP A 100 -6.640 -4.410 24.921 1.00 52.14 O ATOM 0 H ASP A 100 -5.185 -2.911 21.636 1.00 41.13 H new ATOM 0 HA ASP A 100 -4.811 -5.756 22.206 1.00 64.03 H new ATOM 0 HB2 ASP A 100 -6.909 -3.689 22.572 1.00 20.01 H new ATOM 0 HB3 ASP A 100 -7.523 -5.264 22.107 1.00 20.01 H new ATOM 1271 N GLY A 101 -6.421 -4.613 19.545 1.00 1.04 N ATOM 1272 CA GLY A 101 -6.838 -4.984 18.206 1.00 72.20 C ATOM 1273 C GLY A 101 -8.344 -5.107 18.081 1.00 22.30 C ATOM 1274 O GLY A 101 -8.845 -5.879 17.265 1.00 70.15 O ATOM 0 H GLY A 101 -6.630 -3.650 19.807 1.00 1.04 H new ATOM 0 HA2 GLY A 101 -6.477 -4.239 17.497 1.00 72.20 H new ATOM 0 HA3 GLY A 101 -6.375 -5.933 17.934 1.00 72.20 H new ATOM 1278 N GLY A 102 -9.068 -4.345 18.895 1.00 52.23 N ATOM 1279 CA GLY A 102 -10.518 -4.388 18.857 1.00 72.31 C ATOM 1280 C GLY A 102 -11.134 -3.018 18.659 1.00 15.44 C ATOM 1281 O GLY A 102 -11.942 -2.570 19.473 1.00 12.22 O ATOM 0 H GLY A 102 -8.676 -3.699 19.580 1.00 52.23 H new ATOM 0 HA2 GLY A 102 -10.838 -5.047 18.050 1.00 72.31 H new ATOM 0 HA3 GLY A 102 -10.890 -4.819 19.786 1.00 72.31 H new