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 26 MET CE :methyl 145:sc= -4.41! (180deg=-8.02!) USER MOD Set 1.2: A 54 THR OG1 : rot 180:sc= -0.68 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 -84:sc= -0.571! USER MOD Single : A 19 ASN : amide:sc= -0.0194 X(o=-0.019,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.266 K(o=-0.27,f=-3.1!) USER MOD Single : A 35 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 48 GLN : amide:sc= -1.22 K(o=-1.2,f=-4.7!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 34:sc= 0.776 USER MOD Single : A 69 TYR OH : rot -174:sc= 1.23 USER MOD Single : A 74 THR OG1 : rot -61:sc= -4.63! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -2.78 X(o=-2.8,f=-3.2!) USER MOD Single : A 94 THR OG1 : rot 9:sc= -0.212 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 0.046 0.183 -1.479 1.00 1.41 N ATOM 2 CA ASP A 11 0.700 0.286 -2.778 1.00 51.44 C ATOM 3 C ASP A 11 0.590 -1.026 -3.547 1.00 63.54 C ATOM 4 O ASP A 11 0.487 -1.032 -4.774 1.00 70.23 O ATOM 5 CB ASP A 11 2.171 0.669 -2.604 1.00 75.34 C ATOM 6 CG ASP A 11 2.629 1.686 -3.630 1.00 44.51 C ATOM 7 OD1 ASP A 11 2.171 2.846 -3.561 1.00 74.34 O ATOM 8 OD2 ASP A 11 3.447 1.324 -4.502 1.00 73.41 O ATOM 0 HA ASP A 11 0.196 1.065 -3.350 1.00 51.44 H new ATOM 0 HB2 ASP A 11 2.322 1.073 -1.603 1.00 75.34 H new ATOM 0 HB3 ASP A 11 2.788 -0.226 -2.683 1.00 75.34 H new ATOM 13 N TYR A 12 0.615 -2.137 -2.819 1.00 14.34 N ATOM 14 CA TYR A 12 0.522 -3.456 -3.432 1.00 74.12 C ATOM 15 C TYR A 12 -0.869 -3.689 -4.014 1.00 72.42 C ATOM 16 O TYR A 12 -1.012 -4.192 -5.129 1.00 43.32 O ATOM 17 CB TYR A 12 0.846 -4.543 -2.406 1.00 41.01 C ATOM 18 CG TYR A 12 2.220 -4.403 -1.790 1.00 32.21 C ATOM 19 CD1 TYR A 12 3.366 -4.622 -2.544 1.00 23.52 C ATOM 20 CD2 TYR A 12 2.371 -4.053 -0.454 1.00 64.10 C ATOM 21 CE1 TYR A 12 4.623 -4.497 -1.985 1.00 45.31 C ATOM 22 CE2 TYR A 12 3.625 -3.924 0.113 1.00 54.53 C ATOM 23 CZ TYR A 12 4.747 -4.147 -0.657 1.00 4.52 C ATOM 24 OH TYR A 12 5.997 -4.020 -0.096 1.00 5.14 O ATOM 0 H TYR A 12 0.699 -2.150 -1.803 1.00 14.34 H new ATOM 0 HA TYR A 12 1.249 -3.503 -4.243 1.00 74.12 H new ATOM 0 HB2 TYR A 12 0.098 -4.518 -1.614 1.00 41.01 H new ATOM 0 HB3 TYR A 12 0.770 -5.519 -2.886 1.00 41.01 H new ATOM 0 HD1 TYR A 12 3.273 -4.895 -3.585 1.00 23.52 H new ATOM 0 HD2 TYR A 12 1.494 -3.879 0.152 1.00 64.10 H new ATOM 0 HE1 TYR A 12 5.504 -4.672 -2.585 1.00 45.31 H new ATOM 0 HE2 TYR A 12 3.725 -3.650 1.153 1.00 54.53 H new ATOM 0 HH TYR A 12 5.908 -3.767 0.847 1.00 5.14 H new ATOM 34 N ASP A 13 -1.892 -3.320 -3.251 1.00 70.31 N ATOM 35 CA ASP A 13 -3.273 -3.487 -3.690 1.00 43.10 C ATOM 36 C ASP A 13 -3.576 -2.587 -4.884 1.00 64.32 C ATOM 37 O ASP A 13 -2.702 -2.320 -5.710 1.00 21.22 O ATOM 38 CB ASP A 13 -4.236 -3.175 -2.544 1.00 21.34 C ATOM 39 CG ASP A 13 -4.344 -1.689 -2.266 1.00 52.22 C ATOM 40 OD1 ASP A 13 -3.307 -1.067 -1.956 1.00 11.44 O ATOM 41 OD2 ASP A 13 -5.466 -1.148 -2.359 1.00 11.30 O ATOM 0 H ASP A 13 -1.791 -2.903 -2.325 1.00 70.31 H new ATOM 0 HA ASP A 13 -3.408 -4.524 -3.996 1.00 43.10 H new ATOM 0 HB2 ASP A 13 -5.223 -3.569 -2.786 1.00 21.34 H new ATOM 0 HB3 ASP A 13 -3.900 -3.687 -1.642 1.00 21.34 H new ATOM 46 N ILE A 14 -4.818 -2.124 -4.969 1.00 71.35 N ATOM 47 CA ILE A 14 -5.236 -1.255 -6.062 1.00 64.05 C ATOM 48 C ILE A 14 -4.710 0.163 -5.869 1.00 3.15 C ATOM 49 O ILE A 14 -5.022 0.839 -4.888 1.00 24.23 O ATOM 50 CB ILE A 14 -6.770 -1.209 -6.190 1.00 43.44 C ATOM 51 CG1 ILE A 14 -7.304 -2.559 -6.673 1.00 11.23 C ATOM 52 CG2 ILE A 14 -7.188 -0.097 -7.141 1.00 15.12 C ATOM 53 CD1 ILE A 14 -6.891 -2.902 -8.087 1.00 2.02 C ATOM 0 H ILE A 14 -5.553 -2.336 -4.294 1.00 71.35 H new ATOM 0 HA ILE A 14 -4.816 -1.674 -6.976 1.00 64.05 H new ATOM 0 HB ILE A 14 -7.196 -1.001 -5.209 1.00 43.44 H new ATOM 0 HG12 ILE A 14 -6.952 -3.341 -6.001 1.00 11.23 H new ATOM 0 HG13 ILE A 14 -8.392 -2.553 -6.613 1.00 11.23 H new ATOM 0 HG21 ILE A 14 -8.275 -0.077 -7.222 1.00 15.12 H new ATOM 0 HG22 ILE A 14 -6.834 0.861 -6.759 1.00 15.12 H new ATOM 0 HG23 ILE A 14 -6.755 -0.277 -8.125 1.00 15.12 H new ATOM 0 HD11 ILE A 14 -7.305 -3.872 -8.362 1.00 2.02 H new ATOM 0 HD12 ILE A 14 -7.266 -2.140 -8.771 1.00 2.02 H new ATOM 0 HD13 ILE A 14 -5.803 -2.941 -8.149 1.00 2.02 H new ATOM 65 N PRO A 15 -3.893 0.628 -6.826 1.00 74.41 N ATOM 66 CA PRO A 15 -3.308 1.971 -6.785 1.00 15.13 C ATOM 67 C PRO A 15 -4.349 3.063 -7.005 1.00 53.55 C ATOM 68 O PRO A 15 -4.017 4.247 -7.076 1.00 53.35 O ATOM 69 CB PRO A 15 -2.299 1.954 -7.935 1.00 41.11 C ATOM 70 CG PRO A 15 -2.815 0.922 -8.877 1.00 73.01 C ATOM 71 CD PRO A 15 -3.479 -0.123 -8.023 1.00 41.03 C ATOM 0 HA PRO A 15 -2.864 2.193 -5.814 1.00 15.13 H new ATOM 0 HB2 PRO A 15 -2.230 2.930 -8.416 1.00 41.11 H new ATOM 0 HB3 PRO A 15 -1.299 1.702 -7.581 1.00 41.11 H new ATOM 0 HG2 PRO A 15 -3.523 1.357 -9.583 1.00 73.01 H new ATOM 0 HG3 PRO A 15 -2.005 0.489 -9.464 1.00 73.01 H new ATOM 0 HD2 PRO A 15 -4.332 -0.574 -8.530 1.00 41.03 H new ATOM 0 HD3 PRO A 15 -2.793 -0.932 -7.772 1.00 41.03 H new ATOM 79 N THR A 16 -5.611 2.659 -7.113 1.00 52.31 N ATOM 80 CA THR A 16 -6.701 3.603 -7.326 1.00 43.55 C ATOM 81 C THR A 16 -7.653 3.623 -6.136 1.00 63.41 C ATOM 82 O THR A 16 -8.806 4.038 -6.256 1.00 60.21 O ATOM 83 CB THR A 16 -7.497 3.264 -8.601 1.00 2.13 C ATOM 84 OG1 THR A 16 -6.605 2.842 -9.638 1.00 25.51 O ATOM 85 CG2 THR A 16 -8.299 4.467 -9.074 1.00 32.21 C ATOM 0 H THR A 16 -5.903 1.683 -7.056 1.00 52.31 H new ATOM 0 HA THR A 16 -6.248 4.588 -7.441 1.00 43.55 H new ATOM 0 HB THR A 16 -8.189 2.455 -8.366 1.00 2.13 H new ATOM 0 HG1 THR A 16 -7.119 2.627 -10.444 1.00 25.51 H new ATOM 0 HG21 THR A 16 -8.853 4.204 -9.975 1.00 32.21 H new ATOM 0 HG22 THR A 16 -8.998 4.768 -8.294 1.00 32.21 H new ATOM 0 HG23 THR A 16 -7.622 5.293 -9.292 1.00 32.21 H new ATOM 93 N THR A 17 -7.163 3.171 -4.985 1.00 54.14 N ATOM 94 CA THR A 17 -7.971 3.136 -3.773 1.00 0.03 C ATOM 95 C THR A 17 -8.009 4.502 -3.098 1.00 2.25 C ATOM 96 O THR A 17 -7.645 5.512 -3.700 1.00 32.24 O ATOM 97 CB THR A 17 -7.435 2.096 -2.771 1.00 34.40 C ATOM 98 OG1 THR A 17 -6.006 2.041 -2.839 1.00 31.05 O ATOM 99 CG2 THR A 17 -8.015 0.719 -3.059 1.00 62.21 C ATOM 0 H THR A 17 -6.211 2.824 -4.868 1.00 54.14 H new ATOM 0 HA THR A 17 -8.980 2.854 -4.074 1.00 0.03 H new ATOM 0 HB THR A 17 -7.739 2.399 -1.769 1.00 34.40 H new ATOM 0 HG1 THR A 17 -5.736 1.445 -3.569 1.00 31.05 H new ATOM 0 HG21 THR A 17 -7.622 0.001 -2.339 1.00 62.21 H new ATOM 0 HG22 THR A 17 -9.101 0.757 -2.978 1.00 62.21 H new ATOM 0 HG23 THR A 17 -7.737 0.411 -4.067 1.00 62.21 H new ATOM 107 N GLU A 18 -8.450 4.526 -1.844 1.00 34.32 N ATOM 108 CA GLU A 18 -8.535 5.770 -1.088 1.00 31.43 C ATOM 109 C GLU A 18 -7.145 6.271 -0.707 1.00 62.23 C ATOM 110 O GLU A 18 -6.249 6.345 -1.547 1.00 52.32 O ATOM 111 CB GLU A 18 -9.380 5.570 0.172 1.00 23.15 C ATOM 112 CG GLU A 18 -10.720 4.904 -0.092 1.00 44.11 C ATOM 113 CD GLU A 18 -11.894 5.788 0.281 1.00 40.03 C ATOM 114 OE1 GLU A 18 -12.032 6.119 1.477 1.00 72.22 O ATOM 115 OE2 GLU A 18 -12.675 6.149 -0.625 1.00 2.13 O ATOM 0 H GLU A 18 -8.754 3.699 -1.331 1.00 34.32 H new ATOM 0 HA GLU A 18 -9.011 6.518 -1.721 1.00 31.43 H new ATOM 0 HB2 GLU A 18 -8.818 4.966 0.884 1.00 23.15 H new ATOM 0 HB3 GLU A 18 -9.552 6.539 0.641 1.00 23.15 H new ATOM 0 HG2 GLU A 18 -10.789 4.641 -1.147 1.00 44.11 H new ATOM 0 HG3 GLU A 18 -10.777 3.974 0.473 1.00 44.11 H new ATOM 122 N ASN A 19 -6.974 6.614 0.565 1.00 23.14 N ATOM 123 CA ASN A 19 -5.693 7.109 1.058 1.00 55.32 C ATOM 124 C ASN A 19 -4.683 5.973 1.186 1.00 53.23 C ATOM 125 O ASN A 19 -3.624 6.135 1.793 1.00 21.11 O ATOM 126 CB ASN A 19 -5.876 7.799 2.411 1.00 34.24 C ATOM 127 CG ASN A 19 -5.920 9.310 2.289 1.00 21.23 C ATOM 128 OD1 ASN A 19 -5.240 10.023 3.027 1.00 1.11 O ATOM 129 ND2 ASN A 19 -6.723 9.805 1.354 1.00 23.24 N ATOM 0 H ASN A 19 -7.706 6.559 1.273 1.00 23.14 H new ATOM 0 HA ASN A 19 -5.310 7.832 0.338 1.00 55.32 H new ATOM 0 HB2 ASN A 19 -6.799 7.448 2.873 1.00 34.24 H new ATOM 0 HB3 ASN A 19 -5.059 7.515 3.074 1.00 34.24 H new ATOM 0 HD21 ASN A 19 -6.794 10.814 1.225 1.00 23.24 H new ATOM 0 HD22 ASN A 19 -7.268 9.176 0.765 1.00 23.24 H new ATOM 136 N LEU A 20 -5.018 4.824 0.609 1.00 3.03 N ATOM 137 CA LEU A 20 -4.140 3.660 0.658 1.00 62.15 C ATOM 138 C LEU A 20 -2.772 3.985 0.066 1.00 61.50 C ATOM 139 O LEU A 20 -1.765 3.381 0.437 1.00 62.13 O ATOM 140 CB LEU A 20 -4.770 2.489 -0.099 1.00 15.32 C ATOM 141 CG LEU A 20 -5.878 1.734 0.636 1.00 15.23 C ATOM 142 CD1 LEU A 20 -6.949 2.698 1.124 1.00 42.42 C ATOM 143 CD2 LEU A 20 -6.487 0.670 -0.265 1.00 53.12 C ATOM 0 H LEU A 20 -5.890 4.674 0.102 1.00 3.03 H new ATOM 0 HA LEU A 20 -4.007 3.380 1.703 1.00 62.15 H new ATOM 0 HB2 LEU A 20 -5.175 2.865 -1.038 1.00 15.32 H new ATOM 0 HB3 LEU A 20 -3.982 1.780 -0.353 1.00 15.32 H new ATOM 0 HG LEU A 20 -5.440 1.240 1.504 1.00 15.23 H new ATOM 0 HD11 LEU A 20 -7.729 2.142 1.645 1.00 42.42 H new ATOM 0 HD12 LEU A 20 -6.503 3.422 1.806 1.00 42.42 H new ATOM 0 HD13 LEU A 20 -7.383 3.221 0.272 1.00 42.42 H new ATOM 0 HD21 LEU A 20 -7.274 0.143 0.275 1.00 53.12 H new ATOM 0 HD22 LEU A 20 -6.909 1.142 -1.152 1.00 53.12 H new ATOM 0 HD23 LEU A 20 -5.715 -0.039 -0.564 1.00 53.12 H new ATOM 155 N TYR A 21 -2.743 4.943 -0.854 1.00 32.53 N ATOM 156 CA TYR A 21 -1.499 5.348 -1.497 1.00 20.42 C ATOM 157 C TYR A 21 -0.899 6.567 -0.803 1.00 62.40 C ATOM 158 O TYR A 21 0.084 7.141 -1.272 1.00 2.14 O ATOM 159 CB TYR A 21 -1.741 5.656 -2.975 1.00 55.22 C ATOM 160 CG TYR A 21 -2.983 6.482 -3.226 1.00 32.23 C ATOM 161 CD1 TYR A 21 -3.136 7.736 -2.647 1.00 63.11 C ATOM 162 CD2 TYR A 21 -4.004 6.008 -4.040 1.00 33.42 C ATOM 163 CE1 TYR A 21 -4.269 8.494 -2.872 1.00 63.45 C ATOM 164 CE2 TYR A 21 -5.140 6.759 -4.272 1.00 31.21 C ATOM 165 CZ TYR A 21 -5.268 8.001 -3.686 1.00 23.11 C ATOM 166 OH TYR A 21 -6.398 8.752 -3.913 1.00 73.25 O ATOM 0 H TYR A 21 -3.567 5.454 -1.171 1.00 32.53 H new ATOM 0 HA TYR A 21 -0.792 4.522 -1.416 1.00 20.42 H new ATOM 0 HB2 TYR A 21 -0.876 6.186 -3.373 1.00 55.22 H new ATOM 0 HB3 TYR A 21 -1.821 4.718 -3.525 1.00 55.22 H new ATOM 0 HD1 TYR A 21 -2.355 8.125 -2.010 1.00 63.11 H new ATOM 0 HD2 TYR A 21 -3.908 5.035 -4.500 1.00 33.42 H new ATOM 0 HE1 TYR A 21 -4.372 9.466 -2.414 1.00 63.45 H new ATOM 0 HE2 TYR A 21 -5.924 6.376 -4.909 1.00 31.21 H new ATOM 0 HH TYR A 21 -7.002 8.262 -4.508 1.00 73.25 H new ATOM 176 N PHE A 22 -1.498 6.956 0.318 1.00 63.14 N ATOM 177 CA PHE A 22 -1.024 8.107 1.078 1.00 61.34 C ATOM 178 C PHE A 22 -0.408 7.667 2.403 1.00 55.31 C ATOM 179 O PHE A 22 0.637 8.173 2.811 1.00 72.22 O ATOM 180 CB PHE A 22 -2.174 9.083 1.335 1.00 24.01 C ATOM 181 CG PHE A 22 -2.160 10.279 0.426 1.00 22.40 C ATOM 182 CD1 PHE A 22 -1.077 11.143 0.413 1.00 13.23 C ATOM 183 CD2 PHE A 22 -3.230 10.538 -0.415 1.00 43.04 C ATOM 184 CE1 PHE A 22 -1.061 12.244 -0.422 1.00 51.23 C ATOM 185 CE2 PHE A 22 -3.219 11.637 -1.253 1.00 41.03 C ATOM 186 CZ PHE A 22 -2.134 12.492 -1.256 1.00 20.21 C ATOM 0 H PHE A 22 -2.312 6.491 0.720 1.00 63.14 H new ATOM 0 HA PHE A 22 -0.256 8.609 0.490 1.00 61.34 H new ATOM 0 HB2 PHE A 22 -3.121 8.556 1.215 1.00 24.01 H new ATOM 0 HB3 PHE A 22 -2.127 9.423 2.370 1.00 24.01 H new ATOM 0 HD1 PHE A 22 -0.236 10.954 1.063 1.00 13.23 H new ATOM 0 HD2 PHE A 22 -4.082 9.874 -0.416 1.00 43.04 H new ATOM 0 HE1 PHE A 22 -0.211 12.910 -0.423 1.00 51.23 H new ATOM 0 HE2 PHE A 22 -4.058 11.827 -1.905 1.00 41.03 H new ATOM 0 HZ PHE A 22 -2.125 13.352 -1.909 1.00 20.21 H new ATOM 196 N GLN A 23 -1.065 6.724 3.070 1.00 75.44 N ATOM 197 CA GLN A 23 -0.584 6.217 4.349 1.00 1.12 C ATOM 198 C GLN A 23 0.746 5.489 4.181 1.00 51.40 C ATOM 199 O GLN A 23 1.715 5.776 4.883 1.00 50.25 O ATOM 200 CB GLN A 23 -1.618 5.277 4.971 1.00 1.24 C ATOM 201 CG GLN A 23 -2.991 5.908 5.138 1.00 70.00 C ATOM 202 CD GLN A 23 -3.051 6.877 6.302 1.00 22.24 C ATOM 203 OE1 GLN A 23 -2.248 7.806 6.394 1.00 62.21 O ATOM 204 NE2 GLN A 23 -4.006 6.665 7.201 1.00 43.14 N ATOM 0 H GLN A 23 -1.932 6.296 2.746 1.00 75.44 H new ATOM 0 HA GLN A 23 -0.431 7.067 5.013 1.00 1.12 H new ATOM 0 HB2 GLN A 23 -1.709 4.387 4.348 1.00 1.24 H new ATOM 0 HB3 GLN A 23 -1.258 4.948 5.946 1.00 1.24 H new ATOM 0 HG2 GLN A 23 -3.260 6.431 4.220 1.00 70.00 H new ATOM 0 HG3 GLN A 23 -3.732 5.122 5.286 1.00 70.00 H new ATOM 0 HE21 GLN A 23 -4.650 5.883 7.086 1.00 43.14 H new ATOM 0 HE22 GLN A 23 -4.095 7.284 8.006 1.00 43.14 H new ATOM 213 N GLY A 24 0.784 4.545 3.246 1.00 42.25 N ATOM 214 CA GLY A 24 2.000 3.791 3.003 1.00 72.35 C ATOM 215 C GLY A 24 3.231 4.674 2.955 1.00 32.03 C ATOM 216 O GLY A 24 4.197 4.443 3.682 1.00 71.14 O ATOM 0 H GLY A 24 -0.005 4.289 2.653 1.00 42.25 H new ATOM 0 HA2 GLY A 24 2.123 3.044 3.787 1.00 72.35 H new ATOM 0 HA3 GLY A 24 1.907 3.252 2.060 1.00 72.35 H new ATOM 220 N ALA A 25 3.197 5.688 2.097 1.00 60.12 N ATOM 221 CA ALA A 25 4.318 6.609 1.958 1.00 63.22 C ATOM 222 C ALA A 25 4.098 7.871 2.785 1.00 73.03 C ATOM 223 O ALA A 25 4.189 8.985 2.270 1.00 51.10 O ATOM 224 CB ALA A 25 4.530 6.965 0.494 1.00 64.11 C ATOM 0 H ALA A 25 2.405 5.892 1.488 1.00 60.12 H new ATOM 0 HA ALA A 25 5.213 6.112 2.333 1.00 63.22 H new ATOM 0 HB1 ALA A 25 5.370 7.654 0.405 1.00 64.11 H new ATOM 0 HB2 ALA A 25 4.742 6.059 -0.074 1.00 64.11 H new ATOM 0 HB3 ALA A 25 3.630 7.438 0.101 1.00 64.11 H new ATOM 230 N MET A 26 3.807 7.688 4.068 1.00 14.45 N ATOM 231 CA MET A 26 3.574 8.814 4.966 1.00 35.33 C ATOM 232 C MET A 26 4.853 9.618 5.174 1.00 61.32 C ATOM 233 O MET A 26 4.824 10.847 5.222 1.00 34.03 O ATOM 234 CB MET A 26 3.045 8.318 6.314 1.00 72.24 C ATOM 235 CG MET A 26 3.754 7.074 6.824 1.00 2.23 C ATOM 236 SD MET A 26 4.012 7.105 8.608 1.00 5.35 S ATOM 237 CE MET A 26 5.342 8.299 8.737 1.00 15.14 C ATOM 0 H MET A 26 3.727 6.772 4.510 1.00 14.45 H new ATOM 0 HA MET A 26 2.828 9.463 4.507 1.00 35.33 H new ATOM 0 HB2 MET A 26 3.150 9.114 7.051 1.00 72.24 H new ATOM 0 HB3 MET A 26 1.980 8.107 6.222 1.00 72.24 H new ATOM 0 HG2 MET A 26 3.169 6.193 6.561 1.00 2.23 H new ATOM 0 HG3 MET A 26 4.717 6.978 6.323 1.00 2.23 H new ATOM 0 HE1 MET A 26 5.220 8.883 9.649 1.00 15.14 H new ATOM 0 HE2 MET A 26 6.298 7.777 8.766 1.00 15.14 H new ATOM 0 HE3 MET A 26 5.318 8.965 7.874 1.00 15.14 H new ATOM 247 N ALA A 27 5.975 8.915 5.296 1.00 13.40 N ATOM 248 CA ALA A 27 7.264 9.564 5.497 1.00 44.44 C ATOM 249 C ALA A 27 8.238 9.208 4.379 1.00 62.52 C ATOM 250 O ALA A 27 8.276 9.867 3.340 1.00 15.50 O ATOM 251 CB ALA A 27 7.845 9.178 6.849 1.00 62.33 C ATOM 0 H ALA A 27 6.016 7.897 5.259 1.00 13.40 H new ATOM 0 HA ALA A 27 7.107 10.642 5.477 1.00 44.44 H new ATOM 0 HB1 ALA A 27 8.808 9.670 6.985 1.00 62.33 H new ATOM 0 HB2 ALA A 27 7.163 9.489 7.640 1.00 62.33 H new ATOM 0 HB3 ALA A 27 7.981 8.097 6.892 1.00 62.33 H new ATOM 257 N PHE A 28 9.026 8.160 4.599 1.00 51.05 N ATOM 258 CA PHE A 28 10.002 7.717 3.610 1.00 72.51 C ATOM 259 C PHE A 28 10.136 6.197 3.622 1.00 25.44 C ATOM 260 O PHE A 28 10.486 5.585 2.612 1.00 14.34 O ATOM 261 CB PHE A 28 11.362 8.363 3.880 1.00 63.44 C ATOM 262 CG PHE A 28 11.743 8.375 5.333 1.00 72.54 C ATOM 263 CD1 PHE A 28 11.250 9.351 6.183 1.00 30.13 C ATOM 264 CD2 PHE A 28 12.593 7.409 5.848 1.00 54.12 C ATOM 265 CE1 PHE A 28 11.599 9.364 7.520 1.00 2.55 C ATOM 266 CE2 PHE A 28 12.945 7.417 7.184 1.00 1.43 C ATOM 267 CZ PHE A 28 12.447 8.396 8.022 1.00 73.11 C ATOM 0 H PHE A 28 9.008 7.602 5.453 1.00 51.05 H new ATOM 0 HA PHE A 28 9.651 8.025 2.625 1.00 72.51 H new ATOM 0 HB2 PHE A 28 12.127 7.829 3.317 1.00 63.44 H new ATOM 0 HB3 PHE A 28 11.349 9.387 3.508 1.00 63.44 H new ATOM 0 HD1 PHE A 28 10.586 10.110 5.797 1.00 30.13 H new ATOM 0 HD2 PHE A 28 12.985 6.641 5.197 1.00 54.12 H new ATOM 0 HE1 PHE A 28 11.209 10.131 8.172 1.00 2.55 H new ATOM 0 HE2 PHE A 28 13.609 6.659 7.573 1.00 1.43 H new ATOM 0 HZ PHE A 28 12.720 8.404 9.067 1.00 73.11 H new ATOM 277 N ASP A 29 9.858 5.594 4.773 1.00 73.32 N ATOM 278 CA ASP A 29 9.947 4.145 4.918 1.00 11.32 C ATOM 279 C ASP A 29 9.584 3.718 6.337 1.00 5.31 C ATOM 280 O ASP A 29 10.057 2.694 6.828 1.00 5.20 O ATOM 281 CB ASP A 29 11.356 3.662 4.571 1.00 11.31 C ATOM 282 CG ASP A 29 11.361 2.660 3.434 1.00 54.14 C ATOM 283 OD1 ASP A 29 10.464 1.792 3.405 1.00 61.50 O ATOM 284 OD2 ASP A 29 12.261 2.744 2.572 1.00 24.33 O ATOM 0 H ASP A 29 9.569 6.086 5.619 1.00 73.32 H new ATOM 0 HA ASP A 29 9.236 3.691 4.228 1.00 11.32 H new ATOM 0 HB2 ASP A 29 11.974 4.518 4.300 1.00 11.31 H new ATOM 0 HB3 ASP A 29 11.809 3.209 5.453 1.00 11.31 H new ATOM 289 N GLY A 30 8.742 4.512 6.992 1.00 42.01 N ATOM 290 CA GLY A 30 8.332 4.200 8.348 1.00 12.15 C ATOM 291 C GLY A 30 7.290 3.100 8.401 1.00 52.54 C ATOM 292 O GLY A 30 6.707 2.839 9.452 1.00 22.14 O ATOM 0 H GLY A 30 8.337 5.365 6.607 1.00 42.01 H new ATOM 0 HA2 GLY A 30 9.204 3.898 8.927 1.00 12.15 H new ATOM 0 HA3 GLY A 30 7.932 5.098 8.819 1.00 12.15 H new ATOM 296 N GLU A 31 7.054 2.456 7.262 1.00 52.31 N ATOM 297 CA GLU A 31 6.073 1.381 7.183 1.00 74.42 C ATOM 298 C GLU A 31 6.736 0.022 7.392 1.00 0.51 C ATOM 299 O GLU A 31 7.316 -0.546 6.467 1.00 5.01 O ATOM 300 CB GLU A 31 5.360 1.409 5.829 1.00 12.11 C ATOM 301 CG GLU A 31 4.120 2.287 5.812 1.00 1.43 C ATOM 302 CD GLU A 31 4.364 3.653 6.426 1.00 71.51 C ATOM 303 OE1 GLU A 31 5.349 4.312 6.034 1.00 53.51 O ATOM 304 OE2 GLU A 31 3.569 4.061 7.298 1.00 31.44 O ATOM 0 H GLU A 31 7.528 2.660 6.382 1.00 52.31 H new ATOM 0 HA GLU A 31 5.340 1.535 7.975 1.00 74.42 H new ATOM 0 HB2 GLU A 31 6.056 1.763 5.069 1.00 12.11 H new ATOM 0 HB3 GLU A 31 5.079 0.392 5.555 1.00 12.11 H new ATOM 0 HG2 GLU A 31 3.781 2.410 4.784 1.00 1.43 H new ATOM 0 HG3 GLU A 31 3.318 1.787 6.355 1.00 1.43 H new ATOM 311 N ASP A 32 6.646 -0.491 8.614 1.00 61.11 N ATOM 312 CA ASP A 32 7.237 -1.782 8.946 1.00 73.41 C ATOM 313 C ASP A 32 6.539 -2.909 8.190 1.00 25.31 C ATOM 314 O ASP A 32 5.850 -2.671 7.199 1.00 3.51 O ATOM 315 CB ASP A 32 7.152 -2.034 10.452 1.00 5.43 C ATOM 316 CG ASP A 32 8.390 -2.720 10.995 1.00 64.32 C ATOM 317 OD1 ASP A 32 9.479 -2.109 10.944 1.00 34.33 O ATOM 318 OD2 ASP A 32 8.271 -3.868 11.471 1.00 71.42 O ATOM 0 H ASP A 32 6.170 -0.033 9.391 1.00 61.11 H new ATOM 0 HA ASP A 32 8.285 -1.762 8.647 1.00 73.41 H new ATOM 0 HB2 ASP A 32 7.010 -1.085 10.969 1.00 5.43 H new ATOM 0 HB3 ASP A 32 6.277 -2.648 10.666 1.00 5.43 H new ATOM 323 N GLU A 33 6.725 -4.137 8.665 1.00 62.11 N ATOM 324 CA GLU A 33 6.115 -5.300 8.032 1.00 62.51 C ATOM 325 C GLU A 33 5.376 -6.154 9.059 1.00 43.31 C ATOM 326 O GLU A 33 5.991 -6.908 9.814 1.00 53.52 O ATOM 327 CB GLU A 33 7.180 -6.142 7.325 1.00 4.54 C ATOM 328 CG GLU A 33 7.994 -5.362 6.306 1.00 72.22 C ATOM 329 CD GLU A 33 9.423 -5.129 6.755 1.00 42.20 C ATOM 330 OE1 GLU A 33 9.615 -4.517 7.827 1.00 41.02 O ATOM 331 OE2 GLU A 33 10.349 -5.557 6.035 1.00 23.45 O ATOM 0 H GLU A 33 7.293 -4.352 9.485 1.00 62.11 H new ATOM 0 HA GLU A 33 5.395 -4.944 7.295 1.00 62.51 H new ATOM 0 HB2 GLU A 33 7.854 -6.562 8.072 1.00 4.54 H new ATOM 0 HB3 GLU A 33 6.695 -6.981 6.825 1.00 4.54 H new ATOM 0 HG2 GLU A 33 7.998 -5.903 5.360 1.00 72.22 H new ATOM 0 HG3 GLU A 33 7.514 -4.401 6.122 1.00 72.22 H new ATOM 338 N VAL A 34 4.053 -6.029 9.081 1.00 1.34 N ATOM 339 CA VAL A 34 3.229 -6.788 10.014 1.00 2.15 C ATOM 340 C VAL A 34 3.156 -8.257 9.613 1.00 10.13 C ATOM 341 O VAL A 34 3.398 -8.610 8.459 1.00 64.14 O ATOM 342 CB VAL A 34 1.801 -6.217 10.095 1.00 71.23 C ATOM 343 CG1 VAL A 34 0.782 -7.341 10.201 1.00 33.31 C ATOM 344 CG2 VAL A 34 1.675 -5.260 11.270 1.00 5.32 C ATOM 0 H VAL A 34 3.529 -5.409 8.463 1.00 1.34 H new ATOM 0 HA VAL A 34 3.701 -6.705 10.993 1.00 2.15 H new ATOM 0 HB VAL A 34 1.599 -5.660 9.180 1.00 71.23 H new ATOM 0 HG11 VAL A 34 -0.221 -6.919 10.257 1.00 33.31 H new ATOM 0 HG12 VAL A 34 0.856 -7.984 9.324 1.00 33.31 H new ATOM 0 HG13 VAL A 34 0.979 -7.928 11.098 1.00 33.31 H new ATOM 0 HG21 VAL A 34 0.659 -4.866 11.311 1.00 5.32 H new ATOM 0 HG22 VAL A 34 1.897 -5.790 12.196 1.00 5.32 H new ATOM 0 HG23 VAL A 34 2.378 -4.437 11.146 1.00 5.32 H new ATOM 354 N THR A 35 2.819 -9.111 10.575 1.00 62.34 N ATOM 355 CA THR A 35 2.714 -10.543 10.323 1.00 43.15 C ATOM 356 C THR A 35 1.295 -10.928 9.922 1.00 32.10 C ATOM 357 O THR A 35 1.093 -11.782 9.060 1.00 34.32 O ATOM 358 CB THR A 35 3.127 -11.363 11.559 1.00 11.15 C ATOM 359 OG1 THR A 35 2.220 -11.112 12.639 1.00 51.43 O ATOM 360 CG2 THR A 35 4.544 -11.016 11.990 1.00 21.42 C ATOM 0 H THR A 35 2.614 -8.836 11.536 1.00 62.34 H new ATOM 0 HA THR A 35 3.395 -10.770 9.502 1.00 43.15 H new ATOM 0 HB THR A 35 3.093 -12.420 11.294 1.00 11.15 H new ATOM 0 HG1 THR A 35 2.489 -11.638 13.421 1.00 51.43 H new ATOM 0 HG21 THR A 35 4.813 -11.608 12.865 1.00 21.42 H new ATOM 0 HG22 THR A 35 5.236 -11.235 11.177 1.00 21.42 H new ATOM 0 HG23 THR A 35 4.600 -9.956 12.238 1.00 21.42 H new ATOM 368 N GLY A 36 0.313 -10.291 10.553 1.00 20.25 N ATOM 369 CA GLY A 36 -1.076 -10.581 10.248 1.00 1.14 C ATOM 370 C GLY A 36 -2.028 -10.008 11.280 1.00 63.42 C ATOM 371 O GLY A 36 -2.842 -9.133 10.986 1.00 3.41 O ATOM 0 H GLY A 36 0.455 -9.579 11.270 1.00 20.25 H new ATOM 0 HA2 GLY A 36 -1.322 -10.175 9.267 1.00 1.14 H new ATOM 0 HA3 GLY A 36 -1.214 -11.661 10.190 1.00 1.14 H new ATOM 375 N PRO A 37 -1.933 -10.509 12.521 1.00 42.04 N ATOM 376 CA PRO A 37 -2.786 -10.057 13.624 1.00 45.11 C ATOM 377 C PRO A 37 -2.456 -8.635 14.067 1.00 64.53 C ATOM 378 O PRO A 37 -1.369 -8.126 13.792 1.00 51.13 O ATOM 379 CB PRO A 37 -2.473 -11.052 14.744 1.00 12.03 C ATOM 380 CG PRO A 37 -1.100 -11.545 14.441 1.00 14.03 C ATOM 381 CD PRO A 37 -0.985 -11.554 12.942 1.00 34.51 C ATOM 0 HA PRO A 37 -3.838 -10.029 13.341 1.00 45.11 H new ATOM 0 HB2 PRO A 37 -2.515 -10.573 15.722 1.00 12.03 H new ATOM 0 HB3 PRO A 37 -3.193 -11.870 14.759 1.00 12.03 H new ATOM 0 HG2 PRO A 37 -0.345 -10.897 14.886 1.00 14.03 H new ATOM 0 HG3 PRO A 37 -0.945 -12.543 14.850 1.00 14.03 H new ATOM 0 HD2 PRO A 37 0.031 -11.330 12.616 1.00 34.51 H new ATOM 0 HD3 PRO A 37 -1.247 -12.526 12.525 1.00 34.51 H new ATOM 389 N ASP A 38 -3.399 -8.001 14.753 1.00 11.24 N ATOM 390 CA ASP A 38 -3.208 -6.638 15.236 1.00 42.02 C ATOM 391 C ASP A 38 -2.023 -6.562 16.194 1.00 50.12 C ATOM 392 O ASP A 38 -1.363 -5.529 16.300 1.00 51.33 O ATOM 393 CB ASP A 38 -4.475 -6.138 15.931 1.00 2.33 C ATOM 394 CG ASP A 38 -5.074 -7.176 16.860 1.00 43.40 C ATOM 395 OD1 ASP A 38 -5.684 -8.141 16.355 1.00 14.34 O ATOM 396 OD2 ASP A 38 -4.932 -7.022 18.092 1.00 75.35 O ATOM 0 H ASP A 38 -4.304 -8.409 14.988 1.00 11.24 H new ATOM 0 HA ASP A 38 -2.999 -6.000 14.377 1.00 42.02 H new ATOM 0 HB2 ASP A 38 -4.243 -5.237 16.499 1.00 2.33 H new ATOM 0 HB3 ASP A 38 -5.213 -5.859 15.179 1.00 2.33 H new ATOM 401 N ALA A 39 -1.760 -7.663 16.890 1.00 13.14 N ATOM 402 CA ALA A 39 -0.655 -7.721 17.839 1.00 60.12 C ATOM 403 C ALA A 39 0.657 -7.313 17.178 1.00 24.11 C ATOM 404 O ALA A 39 1.545 -6.760 17.828 1.00 60.40 O ATOM 405 CB ALA A 39 -0.539 -9.119 18.429 1.00 41.22 C ATOM 0 H ALA A 39 -2.297 -8.527 16.815 1.00 13.14 H new ATOM 0 HA ALA A 39 -0.861 -7.015 18.644 1.00 60.12 H new ATOM 0 HB1 ALA A 39 0.290 -9.148 19.136 1.00 41.22 H new ATOM 0 HB2 ALA A 39 -1.465 -9.374 18.945 1.00 41.22 H new ATOM 0 HB3 ALA A 39 -0.359 -9.838 17.629 1.00 41.22 H new ATOM 411 N ASP A 40 0.774 -7.590 15.884 1.00 12.40 N ATOM 412 CA ASP A 40 1.978 -7.251 15.135 1.00 3.21 C ATOM 413 C ASP A 40 1.952 -5.790 14.695 1.00 31.32 C ATOM 414 O ASP A 40 2.988 -5.127 14.648 1.00 21.14 O ATOM 415 CB ASP A 40 2.119 -8.162 13.914 1.00 14.53 C ATOM 416 CG ASP A 40 3.551 -8.598 13.680 1.00 63.44 C ATOM 417 OD1 ASP A 40 4.005 -9.538 14.366 1.00 12.51 O ATOM 418 OD2 ASP A 40 4.219 -8.001 12.810 1.00 43.42 O ATOM 0 H ASP A 40 0.049 -8.049 15.332 1.00 12.40 H new ATOM 0 HA ASP A 40 2.837 -7.399 15.790 1.00 3.21 H new ATOM 0 HB2 ASP A 40 1.491 -9.043 14.047 1.00 14.53 H new ATOM 0 HB3 ASP A 40 1.752 -7.640 13.030 1.00 14.53 H new ATOM 423 N ARG A 41 0.761 -5.296 14.373 1.00 61.21 N ATOM 424 CA ARG A 41 0.600 -3.915 13.934 1.00 22.15 C ATOM 425 C ARG A 41 0.793 -2.949 15.100 1.00 51.13 C ATOM 426 O ARG A 41 1.419 -1.900 14.952 1.00 53.41 O ATOM 427 CB ARG A 41 -0.783 -3.713 13.313 1.00 11.55 C ATOM 428 CG ARG A 41 -1.824 -3.205 14.298 1.00 51.33 C ATOM 429 CD ARG A 41 -3.233 -3.348 13.742 1.00 25.55 C ATOM 430 NE ARG A 41 -3.230 -3.629 12.309 1.00 2.12 N ATOM 431 CZ ARG A 41 -3.872 -4.654 11.760 1.00 50.33 C ATOM 432 NH1 ARG A 41 -4.565 -5.490 12.520 1.00 70.54 N ATOM 433 NH2 ARG A 41 -3.822 -4.843 10.447 1.00 12.23 N ATOM 0 H ARG A 41 -0.106 -5.831 14.408 1.00 61.21 H new ATOM 0 HA ARG A 41 1.361 -3.707 13.182 1.00 22.15 H new ATOM 0 HB2 ARG A 41 -0.701 -3.007 12.487 1.00 11.55 H new ATOM 0 HB3 ARG A 41 -1.125 -4.658 12.892 1.00 11.55 H new ATOM 0 HG2 ARG A 41 -1.743 -3.759 15.233 1.00 51.33 H new ATOM 0 HG3 ARG A 41 -1.627 -2.158 14.529 1.00 51.33 H new ATOM 0 HD2 ARG A 41 -3.750 -4.151 14.268 1.00 25.55 H new ATOM 0 HD3 ARG A 41 -3.792 -2.431 13.930 1.00 25.55 H new ATOM 0 HE ARG A 41 -2.706 -3.004 11.696 1.00 2.12 H new ATOM 0 HH11 ARG A 41 -4.606 -5.347 13.529 1.00 70.54 H new ATOM 0 HH12 ARG A 41 -5.057 -6.276 12.096 1.00 70.54 H new ATOM 0 HH21 ARG A 41 -3.290 -4.201 9.859 1.00 12.23 H new ATOM 0 HH22 ARG A 41 -4.315 -5.630 10.026 1.00 12.23 H new ATOM 447 N ALA A 42 0.250 -3.311 16.258 1.00 41.34 N ATOM 448 CA ALA A 42 0.363 -2.477 17.448 1.00 65.11 C ATOM 449 C ALA A 42 1.789 -2.485 17.990 1.00 52.11 C ATOM 450 O ALA A 42 2.273 -1.477 18.505 1.00 53.33 O ATOM 451 CB ALA A 42 -0.612 -2.948 18.517 1.00 51.45 C ATOM 0 H ALA A 42 -0.272 -4.176 16.397 1.00 41.34 H new ATOM 0 HA ALA A 42 0.113 -1.453 17.169 1.00 65.11 H new ATOM 0 HB1 ALA A 42 -0.517 -2.316 19.400 1.00 51.45 H new ATOM 0 HB2 ALA A 42 -1.630 -2.885 18.134 1.00 51.45 H new ATOM 0 HB3 ALA A 42 -0.388 -3.981 18.784 1.00 51.45 H new ATOM 457 N ARG A 43 2.456 -3.628 17.871 1.00 33.34 N ATOM 458 CA ARG A 43 3.825 -3.767 18.351 1.00 23.24 C ATOM 459 C ARG A 43 4.815 -3.185 17.347 1.00 43.12 C ATOM 460 O ARG A 43 5.797 -2.548 17.726 1.00 4.22 O ATOM 461 CB ARG A 43 4.151 -5.239 18.610 1.00 71.53 C ATOM 462 CG ARG A 43 4.602 -5.991 17.367 1.00 15.45 C ATOM 463 CD ARG A 43 4.627 -7.493 17.603 1.00 2.44 C ATOM 464 NE ARG A 43 5.455 -8.187 16.621 1.00 4.10 N ATOM 465 CZ ARG A 43 6.778 -8.275 16.706 1.00 61.11 C ATOM 466 NH1 ARG A 43 7.419 -7.716 17.723 1.00 62.20 N ATOM 467 NH2 ARG A 43 7.462 -8.924 15.772 1.00 22.03 N ATOM 0 H ARG A 43 2.070 -4.471 17.446 1.00 33.34 H new ATOM 0 HA ARG A 43 3.913 -3.213 19.285 1.00 23.24 H new ATOM 0 HB2 ARG A 43 4.934 -5.301 19.366 1.00 71.53 H new ATOM 0 HB3 ARG A 43 3.270 -5.731 19.022 1.00 71.53 H new ATOM 0 HG2 ARG A 43 3.931 -5.763 16.539 1.00 15.45 H new ATOM 0 HG3 ARG A 43 5.596 -5.651 17.075 1.00 15.45 H new ATOM 0 HD2 ARG A 43 5.005 -7.696 18.605 1.00 2.44 H new ATOM 0 HD3 ARG A 43 3.610 -7.884 17.561 1.00 2.44 H new ATOM 0 HE ARG A 43 4.993 -8.628 15.826 1.00 4.10 H new ATOM 0 HH11 ARG A 43 6.896 -7.217 18.443 1.00 62.20 H new ATOM 0 HH12 ARG A 43 8.435 -7.785 17.786 1.00 62.20 H new ATOM 0 HH21 ARG A 43 6.972 -9.356 14.988 1.00 22.03 H new ATOM 0 HH22 ARG A 43 8.478 -8.991 15.838 1.00 22.03 H new ATOM 481 N ALA A 44 4.549 -3.409 16.064 1.00 5.11 N ATOM 482 CA ALA A 44 5.416 -2.906 15.005 1.00 15.52 C ATOM 483 C ALA A 44 5.214 -1.409 14.796 1.00 14.41 C ATOM 484 O ALA A 44 6.145 -0.620 14.950 1.00 44.44 O ATOM 485 CB ALA A 44 5.159 -3.661 13.710 1.00 52.24 C ATOM 0 H ALA A 44 3.740 -3.935 15.733 1.00 5.11 H new ATOM 0 HA ALA A 44 6.450 -3.068 15.308 1.00 15.52 H new ATOM 0 HB1 ALA A 44 5.813 -3.275 12.928 1.00 52.24 H new ATOM 0 HB2 ALA A 44 5.360 -4.722 13.861 1.00 52.24 H new ATOM 0 HB3 ALA A 44 4.119 -3.528 13.412 1.00 52.24 H new ATOM 491 N ALA A 45 3.991 -1.025 14.444 1.00 11.41 N ATOM 492 CA ALA A 45 3.667 0.378 14.215 1.00 30.02 C ATOM 493 C ALA A 45 3.995 1.224 15.441 1.00 53.23 C ATOM 494 O ALA A 45 4.088 2.448 15.354 1.00 3.24 O ATOM 495 CB ALA A 45 2.199 0.527 13.846 1.00 75.02 C ATOM 0 H ALA A 45 3.209 -1.666 14.311 1.00 11.41 H new ATOM 0 HA ALA A 45 4.277 0.736 13.385 1.00 30.02 H new ATOM 0 HB1 ALA A 45 1.971 1.580 13.678 1.00 75.02 H new ATOM 0 HB2 ALA A 45 1.993 -0.039 12.937 1.00 75.02 H new ATOM 0 HB3 ALA A 45 1.579 0.147 14.658 1.00 75.02 H new ATOM 501 N ALA A 46 4.167 0.564 16.581 1.00 24.10 N ATOM 502 CA ALA A 46 4.486 1.256 17.824 1.00 71.13 C ATOM 503 C ALA A 46 5.826 1.977 17.723 1.00 71.22 C ATOM 504 O ALA A 46 5.883 3.206 17.735 1.00 42.54 O ATOM 505 CB ALA A 46 4.499 0.274 18.986 1.00 12.21 C ATOM 0 H ALA A 46 4.091 -0.449 16.670 1.00 24.10 H new ATOM 0 HA ALA A 46 3.714 2.004 18.003 1.00 71.13 H new ATOM 0 HB1 ALA A 46 4.739 0.804 19.908 1.00 12.21 H new ATOM 0 HB2 ALA A 46 3.518 -0.192 19.080 1.00 12.21 H new ATOM 0 HB3 ALA A 46 5.250 -0.495 18.804 1.00 12.21 H new ATOM 511 N VAL A 47 6.903 1.204 17.624 1.00 33.41 N ATOM 512 CA VAL A 47 8.243 1.769 17.521 1.00 72.32 C ATOM 513 C VAL A 47 8.942 1.297 16.251 1.00 72.32 C ATOM 514 O VAL A 47 9.957 1.861 15.844 1.00 54.25 O ATOM 515 CB VAL A 47 9.106 1.392 18.739 1.00 23.13 C ATOM 516 CG1 VAL A 47 10.428 2.144 18.711 1.00 51.45 C ATOM 517 CG2 VAL A 47 8.353 1.669 20.032 1.00 44.44 C ATOM 0 H VAL A 47 6.873 0.184 17.613 1.00 33.41 H new ATOM 0 HA VAL A 47 8.128 2.852 17.488 1.00 72.32 H new ATOM 0 HB VAL A 47 9.322 0.325 18.692 1.00 23.13 H new ATOM 0 HG11 VAL A 47 11.024 1.864 19.580 1.00 51.45 H new ATOM 0 HG12 VAL A 47 10.972 1.890 17.801 1.00 51.45 H new ATOM 0 HG13 VAL A 47 10.237 3.217 18.732 1.00 51.45 H new ATOM 0 HG21 VAL A 47 8.978 1.397 20.883 1.00 44.44 H new ATOM 0 HG22 VAL A 47 8.105 2.729 20.089 1.00 44.44 H new ATOM 0 HG23 VAL A 47 7.436 1.080 20.052 1.00 44.44 H new ATOM 527 N GLN A 48 8.391 0.259 15.630 1.00 61.42 N ATOM 528 CA GLN A 48 8.963 -0.289 14.405 1.00 34.44 C ATOM 529 C GLN A 48 8.572 0.555 13.197 1.00 45.31 C ATOM 530 O GLN A 48 9.393 0.812 12.316 1.00 13.43 O ATOM 531 CB GLN A 48 8.501 -1.734 14.204 1.00 55.43 C ATOM 532 CG GLN A 48 8.795 -2.638 15.390 1.00 53.22 C ATOM 533 CD GLN A 48 8.705 -4.110 15.038 1.00 43.41 C ATOM 534 OE1 GLN A 48 7.965 -4.500 14.134 1.00 4.12 O ATOM 535 NE2 GLN A 48 9.461 -4.936 15.752 1.00 73.14 N ATOM 0 H GLN A 48 7.550 -0.219 15.954 1.00 61.42 H new ATOM 0 HA GLN A 48 10.049 -0.272 14.501 1.00 34.44 H new ATOM 0 HB2 GLN A 48 7.428 -1.740 14.011 1.00 55.43 H new ATOM 0 HB3 GLN A 48 8.987 -2.142 13.318 1.00 55.43 H new ATOM 0 HG2 GLN A 48 9.793 -2.420 15.770 1.00 53.22 H new ATOM 0 HG3 GLN A 48 8.093 -2.417 16.194 1.00 53.22 H new ATOM 0 HE21 GLN A 48 10.059 -4.569 16.492 1.00 73.14 H new ATOM 0 HE22 GLN A 48 9.443 -5.938 15.560 1.00 73.14 H new ATOM 544 N ALA A 49 7.315 0.984 13.162 1.00 71.31 N ATOM 545 CA ALA A 49 6.817 1.801 12.062 1.00 33.34 C ATOM 546 C ALA A 49 6.674 3.260 12.483 1.00 24.51 C ATOM 547 O ALA A 49 6.271 4.109 11.688 1.00 32.24 O ATOM 548 CB ALA A 49 5.484 1.260 11.565 1.00 1.41 C ATOM 0 H ALA A 49 6.623 0.779 13.883 1.00 71.31 H new ATOM 0 HA ALA A 49 7.542 1.754 11.249 1.00 33.34 H new ATOM 0 HB1 ALA A 49 5.123 1.879 10.744 1.00 1.41 H new ATOM 0 HB2 ALA A 49 5.614 0.235 11.217 1.00 1.41 H new ATOM 0 HB3 ALA A 49 4.758 1.277 12.378 1.00 1.41 H new ATOM 554 N VAL A 50 7.008 3.544 13.738 1.00 12.00 N ATOM 555 CA VAL A 50 6.917 4.901 14.264 1.00 25.33 C ATOM 556 C VAL A 50 8.249 5.631 14.132 1.00 50.30 C ATOM 557 O VAL A 50 8.340 6.845 14.315 1.00 42.41 O ATOM 558 CB VAL A 50 6.489 4.901 15.744 1.00 52.53 C ATOM 559 CG1 VAL A 50 7.698 5.078 16.650 1.00 55.00 C ATOM 560 CG2 VAL A 50 5.457 5.990 15.999 1.00 45.35 C ATOM 0 H VAL A 50 7.344 2.853 14.409 1.00 12.00 H new ATOM 0 HA VAL A 50 6.161 5.420 13.674 1.00 25.33 H new ATOM 0 HB VAL A 50 6.032 3.938 15.973 1.00 52.53 H new ATOM 0 HG11 VAL A 50 7.376 5.075 17.691 1.00 55.00 H new ATOM 0 HG12 VAL A 50 8.399 4.260 16.485 1.00 55.00 H new ATOM 0 HG13 VAL A 50 8.187 6.026 16.424 1.00 55.00 H new ATOM 0 HG21 VAL A 50 5.165 5.976 17.049 1.00 45.35 H new ATOM 0 HG22 VAL A 50 5.885 6.962 15.754 1.00 45.35 H new ATOM 0 HG23 VAL A 50 4.580 5.813 15.377 1.00 45.35 H new ATOM 570 N PRO A 51 9.308 4.876 13.806 1.00 44.02 N ATOM 571 CA PRO A 51 10.655 5.431 13.640 1.00 21.33 C ATOM 572 C PRO A 51 10.773 6.306 12.397 1.00 11.14 C ATOM 573 O PRO A 51 11.587 7.227 12.350 1.00 40.22 O ATOM 574 CB PRO A 51 11.537 4.187 13.504 1.00 72.12 C ATOM 575 CG PRO A 51 10.624 3.131 12.981 1.00 4.44 C ATOM 576 CD PRO A 51 9.273 3.422 13.573 1.00 51.53 C ATOM 0 HA PRO A 51 10.934 6.079 14.471 1.00 21.33 H new ATOM 0 HB2 PRO A 51 12.369 4.364 12.823 1.00 72.12 H new ATOM 0 HB3 PRO A 51 11.967 3.899 14.464 1.00 72.12 H new ATOM 0 HG2 PRO A 51 10.586 3.153 11.892 1.00 4.44 H new ATOM 0 HG3 PRO A 51 10.970 2.138 13.268 1.00 4.44 H new ATOM 0 HD2 PRO A 51 8.468 3.143 12.893 1.00 51.53 H new ATOM 0 HD3 PRO A 51 9.113 2.870 14.499 1.00 51.53 H new ATOM 584 N GLY A 52 9.954 6.012 11.392 1.00 14.31 N ATOM 585 CA GLY A 52 9.982 6.782 10.162 1.00 1.55 C ATOM 586 C GLY A 52 9.390 8.168 10.332 1.00 25.31 C ATOM 587 O GLY A 52 9.948 9.152 9.849 1.00 3.12 O ATOM 0 H GLY A 52 9.271 5.254 11.408 1.00 14.31 H new ATOM 0 HA2 GLY A 52 11.012 6.870 9.815 1.00 1.55 H new ATOM 0 HA3 GLY A 52 9.430 6.247 9.389 1.00 1.55 H new ATOM 591 N GLY A 53 8.255 8.245 11.020 1.00 70.42 N ATOM 592 CA GLY A 53 7.605 9.524 11.238 1.00 70.41 C ATOM 593 C GLY A 53 6.319 9.393 12.030 1.00 60.04 C ATOM 594 O GLY A 53 5.946 10.298 12.778 1.00 61.54 O ATOM 0 H GLY A 53 7.774 7.444 11.430 1.00 70.42 H new ATOM 0 HA2 GLY A 53 8.287 10.190 11.767 1.00 70.41 H new ATOM 0 HA3 GLY A 53 7.390 9.987 10.275 1.00 70.41 H new ATOM 598 N THR A 54 5.636 8.264 11.865 1.00 44.01 N ATOM 599 CA THR A 54 4.383 8.019 12.568 1.00 43.14 C ATOM 600 C THR A 54 4.180 6.531 12.827 1.00 60.34 C ATOM 601 O THR A 54 4.749 5.687 12.135 1.00 42.35 O ATOM 602 CB THR A 54 3.179 8.560 11.774 1.00 61.43 C ATOM 603 OG1 THR A 54 3.561 9.729 11.040 1.00 33.15 O ATOM 604 CG2 THR A 54 2.023 8.893 12.705 1.00 41.45 C ATOM 0 H THR A 54 5.930 7.505 11.250 1.00 44.01 H new ATOM 0 HA THR A 54 4.446 8.545 13.521 1.00 43.14 H new ATOM 0 HB THR A 54 2.853 7.787 11.079 1.00 61.43 H new ATOM 0 HG1 THR A 54 2.790 10.066 10.537 1.00 33.15 H new ATOM 0 HG21 THR A 54 1.184 9.273 12.122 1.00 41.45 H new ATOM 0 HG22 THR A 54 1.716 7.994 13.239 1.00 41.45 H new ATOM 0 HG23 THR A 54 2.340 9.651 13.422 1.00 41.45 H new ATOM 612 N ALA A 55 3.364 6.215 13.827 1.00 24.13 N ATOM 613 CA ALA A 55 3.084 4.828 14.175 1.00 20.44 C ATOM 614 C ALA A 55 2.216 4.160 13.114 1.00 31.13 C ATOM 615 O ALA A 55 1.018 3.963 13.312 1.00 13.33 O ATOM 616 CB ALA A 55 2.409 4.751 15.537 1.00 41.21 C ATOM 0 H ALA A 55 2.885 6.901 14.410 1.00 24.13 H new ATOM 0 HA ALA A 55 4.032 4.293 14.221 1.00 20.44 H new ATOM 0 HB1 ALA A 55 2.206 3.709 15.784 1.00 41.21 H new ATOM 0 HB2 ALA A 55 3.065 5.182 16.293 1.00 41.21 H new ATOM 0 HB3 ALA A 55 1.472 5.307 15.511 1.00 41.21 H new ATOM 622 N GLY A 56 2.829 3.814 11.986 1.00 20.23 N ATOM 623 CA GLY A 56 2.096 3.173 10.910 1.00 21.33 C ATOM 624 C GLY A 56 2.945 2.179 10.143 1.00 72.44 C ATOM 625 O GLY A 56 3.882 2.563 9.445 1.00 65.14 O ATOM 0 H GLY A 56 3.820 3.966 11.798 1.00 20.23 H new ATOM 0 HA2 GLY A 56 1.226 2.662 11.321 1.00 21.33 H new ATOM 0 HA3 GLY A 56 1.724 3.934 10.224 1.00 21.33 H new ATOM 629 N GLU A 57 2.616 0.897 10.273 1.00 2.11 N ATOM 630 CA GLU A 57 3.358 -0.155 9.587 1.00 12.44 C ATOM 631 C GLU A 57 2.577 -0.675 8.384 1.00 32.11 C ATOM 632 O GLU A 57 1.557 -0.104 7.998 1.00 70.05 O ATOM 633 CB GLU A 57 3.661 -1.305 10.549 1.00 61.50 C ATOM 634 CG GLU A 57 2.576 -2.368 10.588 1.00 14.14 C ATOM 635 CD GLU A 57 1.186 -1.777 10.732 1.00 23.31 C ATOM 636 OE1 GLU A 57 0.812 -1.412 11.866 1.00 31.54 O ATOM 637 OE2 GLU A 57 0.474 -1.680 9.711 1.00 32.34 O ATOM 0 H GLU A 57 1.842 0.562 10.846 1.00 2.11 H new ATOM 0 HA GLU A 57 4.297 0.269 9.232 1.00 12.44 H new ATOM 0 HB2 GLU A 57 4.603 -1.770 10.260 1.00 61.50 H new ATOM 0 HB3 GLU A 57 3.799 -0.902 11.552 1.00 61.50 H new ATOM 0 HG2 GLU A 57 2.622 -2.962 9.675 1.00 14.14 H new ATOM 0 HG3 GLU A 57 2.767 -3.046 11.420 1.00 14.14 H new ATOM 644 N VAL A 58 3.064 -1.763 7.796 1.00 52.15 N ATOM 645 CA VAL A 58 2.412 -2.362 6.637 1.00 43.33 C ATOM 646 C VAL A 58 2.238 -3.865 6.820 1.00 32.11 C ATOM 647 O VAL A 58 3.212 -4.595 6.998 1.00 61.31 O ATOM 648 CB VAL A 58 3.213 -2.102 5.347 1.00 72.54 C ATOM 649 CG1 VAL A 58 2.898 -3.161 4.301 1.00 63.41 C ATOM 650 CG2 VAL A 58 2.922 -0.709 4.810 1.00 11.05 C ATOM 0 H VAL A 58 3.907 -2.248 8.103 1.00 52.15 H new ATOM 0 HA VAL A 58 1.431 -1.894 6.548 1.00 43.33 H new ATOM 0 HB VAL A 58 4.276 -2.161 5.582 1.00 72.54 H new ATOM 0 HG11 VAL A 58 3.473 -2.961 3.397 1.00 63.41 H new ATOM 0 HG12 VAL A 58 3.162 -4.145 4.689 1.00 63.41 H new ATOM 0 HG13 VAL A 58 1.834 -3.136 4.067 1.00 63.41 H new ATOM 0 HG21 VAL A 58 3.496 -0.543 3.899 1.00 11.05 H new ATOM 0 HG22 VAL A 58 1.858 -0.619 4.590 1.00 11.05 H new ATOM 0 HG23 VAL A 58 3.202 0.034 5.556 1.00 11.05 H new ATOM 660 N GLU A 59 0.990 -4.320 6.775 1.00 34.31 N ATOM 661 CA GLU A 59 0.688 -5.738 6.937 1.00 50.21 C ATOM 662 C GLU A 59 0.612 -6.436 5.582 1.00 3.01 C ATOM 663 O GLU A 59 -0.128 -6.014 4.693 1.00 43.42 O ATOM 664 CB GLU A 59 -0.631 -5.918 7.690 1.00 34.44 C ATOM 665 CG GLU A 59 -1.139 -7.350 7.694 1.00 74.54 C ATOM 666 CD GLU A 59 -2.464 -7.501 6.970 1.00 24.44 C ATOM 667 OE1 GLU A 59 -2.585 -6.980 5.842 1.00 71.52 O ATOM 668 OE2 GLU A 59 -3.378 -8.140 7.532 1.00 2.33 O ATOM 0 H GLU A 59 0.172 -3.728 6.628 1.00 34.31 H new ATOM 0 HA GLU A 59 1.493 -6.191 7.515 1.00 50.21 H new ATOM 0 HB2 GLU A 59 -0.500 -5.585 8.720 1.00 34.44 H new ATOM 0 HB3 GLU A 59 -1.387 -5.274 7.240 1.00 34.44 H new ATOM 0 HG2 GLU A 59 -0.397 -7.996 7.225 1.00 74.54 H new ATOM 0 HG3 GLU A 59 -1.251 -7.689 8.724 1.00 74.54 H new ATOM 675 N THR A 60 1.384 -7.508 5.431 1.00 2.13 N ATOM 676 CA THR A 60 1.407 -8.264 4.186 1.00 70.32 C ATOM 677 C THR A 60 0.710 -9.610 4.347 1.00 20.41 C ATOM 678 O THR A 60 1.254 -10.532 4.955 1.00 13.53 O ATOM 679 CB THR A 60 2.849 -8.501 3.698 1.00 10.24 C ATOM 680 OG1 THR A 60 2.855 -9.453 2.629 1.00 54.32 O ATOM 681 CG2 THR A 60 3.729 -9.001 4.834 1.00 32.11 C ATOM 0 H THR A 60 2.002 -7.872 6.157 1.00 2.13 H new ATOM 0 HA THR A 60 0.874 -7.668 3.445 1.00 70.32 H new ATOM 0 HB THR A 60 3.248 -7.552 3.340 1.00 10.24 H new ATOM 0 HG1 THR A 60 3.775 -9.597 2.324 1.00 54.32 H new ATOM 0 HG21 THR A 60 4.742 -9.161 4.466 1.00 32.11 H new ATOM 0 HG22 THR A 60 3.746 -8.261 5.634 1.00 32.11 H new ATOM 0 HG23 THR A 60 3.330 -9.940 5.217 1.00 32.11 H new ATOM 689 N GLU A 61 -0.496 -9.717 3.798 1.00 41.12 N ATOM 690 CA GLU A 61 -1.266 -10.952 3.882 1.00 55.10 C ATOM 691 C GLU A 61 -1.908 -11.286 2.538 1.00 10.42 C ATOM 692 O GLU A 61 -2.096 -10.411 1.692 1.00 45.22 O ATOM 693 CB GLU A 61 -2.346 -10.833 4.960 1.00 73.15 C ATOM 694 CG GLU A 61 -2.133 -11.765 6.141 1.00 44.23 C ATOM 695 CD GLU A 61 -3.204 -12.833 6.243 1.00 53.34 C ATOM 696 OE1 GLU A 61 -3.761 -13.218 5.193 1.00 4.12 O ATOM 697 OE2 GLU A 61 -3.486 -13.283 7.373 1.00 73.32 O ATOM 0 H GLU A 61 -0.960 -8.964 3.291 1.00 41.12 H new ATOM 0 HA GLU A 61 -0.583 -11.758 4.149 1.00 55.10 H new ATOM 0 HB2 GLU A 61 -2.376 -9.805 5.320 1.00 73.15 H new ATOM 0 HB3 GLU A 61 -3.318 -11.043 4.513 1.00 73.15 H new ATOM 0 HG2 GLU A 61 -1.157 -12.242 6.051 1.00 44.23 H new ATOM 0 HG3 GLU A 61 -2.119 -11.181 7.061 1.00 44.23 H new ATOM 704 N THR A 62 -2.243 -12.558 2.348 1.00 23.24 N ATOM 705 CA THR A 62 -2.861 -13.009 1.108 1.00 33.02 C ATOM 706 C THR A 62 -4.175 -13.733 1.380 1.00 24.45 C ATOM 707 O THR A 62 -4.190 -14.809 1.978 1.00 5.42 O ATOM 708 CB THR A 62 -1.925 -13.946 0.322 1.00 50.34 C ATOM 709 OG1 THR A 62 -1.650 -15.122 1.091 1.00 43.15 O ATOM 710 CG2 THR A 62 -0.621 -13.242 -0.023 1.00 60.54 C ATOM 0 H THR A 62 -2.096 -13.295 3.038 1.00 23.24 H new ATOM 0 HA THR A 62 -3.057 -12.119 0.511 1.00 33.02 H new ATOM 0 HB THR A 62 -2.424 -14.228 -0.605 1.00 50.34 H new ATOM 0 HG1 THR A 62 -2.440 -15.358 1.621 1.00 43.15 H new ATOM 0 HG21 THR A 62 0.024 -13.923 -0.578 1.00 60.54 H new ATOM 0 HG22 THR A 62 -0.832 -12.364 -0.633 1.00 60.54 H new ATOM 0 HG23 THR A 62 -0.120 -12.934 0.895 1.00 60.54 H new ATOM 718 N GLY A 63 -5.277 -13.137 0.937 1.00 33.00 N ATOM 719 CA GLY A 63 -6.581 -13.741 1.142 1.00 1.33 C ATOM 720 C GLY A 63 -7.005 -14.614 -0.022 1.00 12.22 C ATOM 721 O GLY A 63 -6.268 -14.760 -0.996 1.00 73.42 O ATOM 0 H GLY A 63 -5.291 -12.247 0.440 1.00 33.00 H new ATOM 0 HA2 GLY A 63 -6.562 -14.339 2.053 1.00 1.33 H new ATOM 0 HA3 GLY A 63 -7.322 -12.956 1.292 1.00 1.33 H new ATOM 725 N GLU A 64 -8.196 -15.196 0.080 1.00 21.23 N ATOM 726 CA GLU A 64 -8.715 -16.062 -0.972 1.00 51.42 C ATOM 727 C GLU A 64 -9.039 -15.257 -2.228 1.00 24.11 C ATOM 728 O GLU A 64 -9.236 -15.819 -3.305 1.00 4.24 O ATOM 729 CB GLU A 64 -9.966 -16.797 -0.488 1.00 15.23 C ATOM 730 CG GLU A 64 -10.500 -17.812 -1.485 1.00 14.35 C ATOM 731 CD GLU A 64 -10.750 -19.170 -0.857 1.00 52.45 C ATOM 732 OE1 GLU A 64 -9.896 -19.626 -0.069 1.00 14.42 O ATOM 733 OE2 GLU A 64 -11.801 -19.776 -1.156 1.00 5.11 O ATOM 0 H GLU A 64 -8.819 -15.084 0.880 1.00 21.23 H new ATOM 0 HA GLU A 64 -7.945 -16.794 -1.218 1.00 51.42 H new ATOM 0 HB2 GLU A 64 -9.739 -17.306 0.449 1.00 15.23 H new ATOM 0 HB3 GLU A 64 -10.746 -16.067 -0.273 1.00 15.23 H new ATOM 0 HG2 GLU A 64 -11.429 -17.439 -1.916 1.00 14.35 H new ATOM 0 HG3 GLU A 64 -9.789 -17.920 -2.304 1.00 14.35 H new ATOM 740 N GLY A 65 -9.092 -13.937 -2.080 1.00 51.34 N ATOM 741 CA GLY A 65 -9.393 -13.076 -3.209 1.00 43.23 C ATOM 742 C GLY A 65 -8.156 -12.716 -4.009 1.00 55.13 C ATOM 743 O GLY A 65 -7.568 -13.569 -4.673 1.00 34.20 O ATOM 0 H GLY A 65 -8.932 -13.449 -1.199 1.00 51.34 H new ATOM 0 HA2 GLY A 65 -10.111 -13.574 -3.860 1.00 43.23 H new ATOM 0 HA3 GLY A 65 -9.868 -12.163 -2.850 1.00 43.23 H new ATOM 747 N ALA A 66 -7.762 -11.448 -3.948 1.00 72.31 N ATOM 748 CA ALA A 66 -6.588 -10.978 -4.672 1.00 40.42 C ATOM 749 C ALA A 66 -5.485 -10.549 -3.710 1.00 51.03 C ATOM 750 O ALA A 66 -4.512 -11.274 -3.504 1.00 51.43 O ATOM 751 CB ALA A 66 -6.963 -9.827 -5.595 1.00 22.32 C ATOM 0 H ALA A 66 -8.239 -10.728 -3.405 1.00 72.31 H new ATOM 0 HA ALA A 66 -6.208 -11.804 -5.274 1.00 40.42 H new ATOM 0 HB1 ALA A 66 -6.077 -9.486 -6.130 1.00 22.32 H new ATOM 0 HB2 ALA A 66 -7.712 -10.165 -6.312 1.00 22.32 H new ATOM 0 HB3 ALA A 66 -7.370 -9.005 -5.005 1.00 22.32 H new ATOM 757 N ALA A 67 -5.644 -9.367 -3.125 1.00 3.43 N ATOM 758 CA ALA A 67 -4.662 -8.842 -2.184 1.00 22.44 C ATOM 759 C ALA A 67 -5.203 -8.861 -0.758 1.00 60.41 C ATOM 760 O ALA A 67 -6.414 -8.893 -0.544 1.00 55.44 O ATOM 761 CB ALA A 67 -4.255 -7.430 -2.577 1.00 52.00 C ATOM 0 H ALA A 67 -6.444 -8.754 -3.286 1.00 3.43 H new ATOM 0 HA ALA A 67 -3.782 -9.485 -2.220 1.00 22.44 H new ATOM 0 HB1 ALA A 67 -3.521 -7.051 -1.865 1.00 52.00 H new ATOM 0 HB2 ALA A 67 -3.819 -7.442 -3.576 1.00 52.00 H new ATOM 0 HB3 ALA A 67 -5.133 -6.784 -2.572 1.00 52.00 H new ATOM 767 N ALA A 68 -4.297 -8.843 0.214 1.00 30.22 N ATOM 768 CA ALA A 68 -4.684 -8.857 1.619 1.00 31.04 C ATOM 769 C ALA A 68 -3.636 -8.166 2.484 1.00 2.44 C ATOM 770 O ALA A 68 -3.194 -8.710 3.496 1.00 35.55 O ATOM 771 CB ALA A 68 -4.902 -10.287 2.093 1.00 53.54 C ATOM 0 H ALA A 68 -3.290 -8.819 0.054 1.00 30.22 H new ATOM 0 HA ALA A 68 -5.620 -8.306 1.717 1.00 31.04 H new ATOM 0 HB1 ALA A 68 -5.191 -10.282 3.144 1.00 53.54 H new ATOM 0 HB2 ALA A 68 -5.692 -10.750 1.502 1.00 53.54 H new ATOM 0 HB3 ALA A 68 -3.979 -10.855 1.973 1.00 53.54 H new ATOM 777 N TYR A 69 -3.241 -6.964 2.079 1.00 2.25 N ATOM 778 CA TYR A 69 -2.242 -6.199 2.816 1.00 25.23 C ATOM 779 C TYR A 69 -2.811 -4.862 3.280 1.00 53.04 C ATOM 780 O TYR A 69 -3.386 -4.112 2.491 1.00 24.22 O ATOM 781 CB TYR A 69 -1.005 -5.966 1.947 1.00 3.41 C ATOM 782 CG TYR A 69 -0.692 -4.504 1.720 1.00 5.10 C ATOM 783 CD1 TYR A 69 -0.026 -3.758 2.685 1.00 14.14 C ATOM 784 CD2 TYR A 69 -1.061 -3.869 0.541 1.00 14.31 C ATOM 785 CE1 TYR A 69 0.261 -2.422 2.483 1.00 44.12 C ATOM 786 CE2 TYR A 69 -0.776 -2.534 0.329 1.00 14.33 C ATOM 787 CZ TYR A 69 -0.115 -1.815 1.303 1.00 12.40 C ATOM 788 OH TYR A 69 0.169 -0.484 1.096 1.00 22.14 O ATOM 0 H TYR A 69 -3.597 -6.498 1.244 1.00 2.25 H new ATOM 0 HA TYR A 69 -1.957 -6.776 3.696 1.00 25.23 H new ATOM 0 HB2 TYR A 69 -0.146 -6.444 2.417 1.00 3.41 H new ATOM 0 HB3 TYR A 69 -1.152 -6.452 0.982 1.00 3.41 H new ATOM 0 HD1 TYR A 69 0.272 -4.231 3.609 1.00 14.14 H new ATOM 0 HD2 TYR A 69 -1.580 -4.429 -0.223 1.00 14.31 H new ATOM 0 HE1 TYR A 69 0.777 -1.856 3.245 1.00 44.12 H new ATOM 0 HE2 TYR A 69 -1.069 -2.056 -0.594 1.00 14.33 H new ATOM 0 HH TYR A 69 -0.246 -0.187 0.259 1.00 22.14 H new ATOM 798 N GLY A 70 -2.647 -4.570 4.566 1.00 1.23 N ATOM 799 CA GLY A 70 -3.149 -3.323 5.114 1.00 31.30 C ATOM 800 C GLY A 70 -2.036 -2.383 5.532 1.00 22.42 C ATOM 801 O GLY A 70 -0.904 -2.812 5.760 1.00 14.10 O ATOM 0 H GLY A 70 -2.175 -5.175 5.239 1.00 1.23 H new ATOM 0 HA2 GLY A 70 -3.777 -2.830 4.372 1.00 31.30 H new ATOM 0 HA3 GLY A 70 -3.782 -3.537 5.975 1.00 31.30 H new ATOM 805 N VAL A 71 -2.356 -1.097 5.632 1.00 24.00 N ATOM 806 CA VAL A 71 -1.374 -0.093 6.025 1.00 64.41 C ATOM 807 C VAL A 71 -1.850 0.696 7.239 1.00 72.00 C ATOM 808 O VAL A 71 -2.825 1.445 7.163 1.00 41.33 O ATOM 809 CB VAL A 71 -1.080 0.886 4.873 1.00 61.43 C ATOM 810 CG1 VAL A 71 -2.369 1.510 4.361 1.00 1.50 C ATOM 811 CG2 VAL A 71 -0.100 1.958 5.322 1.00 4.34 C ATOM 0 H VAL A 71 -3.288 -0.726 5.446 1.00 24.00 H new ATOM 0 HA VAL A 71 -0.459 -0.628 6.279 1.00 64.41 H new ATOM 0 HB VAL A 71 -0.624 0.330 4.054 1.00 61.43 H new ATOM 0 HG11 VAL A 71 -2.142 2.199 3.547 1.00 1.50 H new ATOM 0 HG12 VAL A 71 -3.034 0.726 3.998 1.00 1.50 H new ATOM 0 HG13 VAL A 71 -2.857 2.053 5.170 1.00 1.50 H new ATOM 0 HG21 VAL A 71 0.096 2.641 4.495 1.00 4.34 H new ATOM 0 HG22 VAL A 71 -0.526 2.513 6.158 1.00 4.34 H new ATOM 0 HG23 VAL A 71 0.833 1.490 5.635 1.00 4.34 H new ATOM 821 N LEU A 72 -1.157 0.524 8.359 1.00 62.21 N ATOM 822 CA LEU A 72 -1.508 1.221 9.591 1.00 33.12 C ATOM 823 C LEU A 72 -0.761 2.546 9.699 1.00 54.50 C ATOM 824 O LEU A 72 0.387 2.661 9.271 1.00 22.40 O ATOM 825 CB LEU A 72 -1.192 0.344 10.804 1.00 11.22 C ATOM 826 CG LEU A 72 -1.806 0.789 12.132 1.00 3.32 C ATOM 827 CD1 LEU A 72 -2.443 -0.391 12.848 1.00 73.41 C ATOM 828 CD2 LEU A 72 -0.752 1.444 13.014 1.00 52.03 C ATOM 0 H LEU A 72 -0.348 -0.092 8.439 1.00 62.21 H new ATOM 0 HA LEU A 72 -2.578 1.429 9.569 1.00 33.12 H new ATOM 0 HB2 LEU A 72 -1.530 -0.670 10.592 1.00 11.22 H new ATOM 0 HB3 LEU A 72 -0.109 0.300 10.924 1.00 11.22 H new ATOM 0 HG LEU A 72 -2.584 1.523 11.922 1.00 3.32 H new ATOM 0 HD11 LEU A 72 -2.874 -0.055 13.791 1.00 73.41 H new ATOM 0 HD12 LEU A 72 -3.227 -0.817 12.222 1.00 73.41 H new ATOM 0 HD13 LEU A 72 -1.685 -1.149 13.046 1.00 73.41 H new ATOM 0 HD21 LEU A 72 -1.207 1.754 13.955 1.00 52.03 H new ATOM 0 HD22 LEU A 72 0.048 0.731 13.215 1.00 52.03 H new ATOM 0 HD23 LEU A 72 -0.342 2.316 12.504 1.00 52.03 H new ATOM 840 N VAL A 73 -1.421 3.546 10.276 1.00 41.33 N ATOM 841 CA VAL A 73 -0.819 4.863 10.443 1.00 4.42 C ATOM 842 C VAL A 73 -1.513 5.649 11.550 1.00 33.40 C ATOM 843 O VAL A 73 -2.675 6.035 11.418 1.00 40.53 O ATOM 844 CB VAL A 73 -0.877 5.678 9.137 1.00 21.50 C ATOM 845 CG1 VAL A 73 -0.678 7.158 9.421 1.00 5.43 C ATOM 846 CG2 VAL A 73 0.162 5.172 8.148 1.00 71.44 C ATOM 0 H VAL A 73 -2.372 3.469 10.635 1.00 41.33 H new ATOM 0 HA VAL A 73 0.224 4.701 10.715 1.00 4.42 H new ATOM 0 HB VAL A 73 -1.863 5.548 8.692 1.00 21.50 H new ATOM 0 HG11 VAL A 73 -0.722 7.717 8.486 1.00 5.43 H new ATOM 0 HG12 VAL A 73 -1.463 7.509 10.091 1.00 5.43 H new ATOM 0 HG13 VAL A 73 0.294 7.311 9.890 1.00 5.43 H new ATOM 0 HG21 VAL A 73 0.107 5.759 7.231 1.00 71.44 H new ATOM 0 HG22 VAL A 73 1.157 5.270 8.583 1.00 71.44 H new ATOM 0 HG23 VAL A 73 -0.032 4.124 7.920 1.00 71.44 H new ATOM 856 N THR A 74 -0.794 5.882 12.644 1.00 51.25 N ATOM 857 CA THR A 74 -1.341 6.621 13.775 1.00 62.14 C ATOM 858 C THR A 74 -0.279 6.857 14.842 1.00 4.51 C ATOM 859 O THR A 74 0.906 6.988 14.534 1.00 41.51 O ATOM 860 CB THR A 74 -2.532 5.878 14.408 1.00 72.21 C ATOM 861 OG1 THR A 74 -3.144 5.018 13.440 1.00 24.40 O ATOM 862 CG2 THR A 74 -3.562 6.862 14.942 1.00 71.05 C ATOM 0 H THR A 74 0.169 5.569 12.770 1.00 51.25 H new ATOM 0 HA THR A 74 -1.685 7.581 13.389 1.00 62.14 H new ATOM 0 HB THR A 74 -2.158 5.281 15.239 1.00 72.21 H new ATOM 0 HG1 THR A 74 -3.481 5.555 12.693 1.00 24.40 H new ATOM 0 HG21 THR A 74 -4.394 6.314 15.384 1.00 71.05 H new ATOM 0 HG22 THR A 74 -3.101 7.496 15.700 1.00 71.05 H new ATOM 0 HG23 THR A 74 -3.930 7.483 14.125 1.00 71.05 H new ATOM 870 N ARG A 75 -0.710 6.910 16.098 1.00 41.40 N ATOM 871 CA ARG A 75 0.205 7.132 17.211 1.00 30.33 C ATOM 872 C ARG A 75 0.427 5.843 17.997 1.00 34.23 C ATOM 873 O ARG A 75 -0.480 5.028 18.169 1.00 31.23 O ATOM 874 CB ARG A 75 -0.340 8.220 18.138 1.00 20.35 C ATOM 875 CG ARG A 75 -0.032 9.632 17.668 1.00 62.44 C ATOM 876 CD ARG A 75 1.442 9.966 17.835 1.00 22.52 C ATOM 877 NE ARG A 75 1.837 10.011 19.241 1.00 52.35 N ATOM 878 CZ ARG A 75 2.919 10.644 19.680 1.00 62.32 C ATOM 879 NH1 ARG A 75 3.710 11.281 18.828 1.00 65.44 N ATOM 880 NH2 ARG A 75 3.212 10.640 20.974 1.00 13.30 N ATOM 0 H ARG A 75 -1.687 6.802 16.370 1.00 41.40 H new ATOM 0 HA ARG A 75 1.162 7.458 16.803 1.00 30.33 H new ATOM 0 HB2 ARG A 75 -1.420 8.103 18.226 1.00 20.35 H new ATOM 0 HB3 ARG A 75 0.078 8.079 19.135 1.00 20.35 H new ATOM 0 HG2 ARG A 75 -0.314 9.737 16.620 1.00 62.44 H new ATOM 0 HG3 ARG A 75 -0.634 10.344 18.233 1.00 62.44 H new ATOM 0 HD2 ARG A 75 2.044 9.222 17.313 1.00 22.52 H new ATOM 0 HD3 ARG A 75 1.651 10.929 17.369 1.00 22.52 H new ATOM 0 HE ARG A 75 1.250 9.530 19.922 1.00 52.35 H new ATOM 0 HH11 ARG A 75 3.488 11.286 17.832 1.00 65.44 H new ATOM 0 HH12 ARG A 75 4.540 11.766 19.168 1.00 65.44 H new ATOM 0 HH21 ARG A 75 2.606 10.151 21.633 1.00 13.30 H new ATOM 0 HH22 ARG A 75 4.043 11.126 21.310 1.00 13.30 H new ATOM 894 N PRO A 76 1.661 5.652 18.486 1.00 42.21 N ATOM 895 CA PRO A 76 2.031 4.464 19.261 1.00 10.55 C ATOM 896 C PRO A 76 1.377 4.445 20.639 1.00 72.33 C ATOM 897 O PRO A 76 1.736 3.636 21.495 1.00 15.32 O ATOM 898 CB PRO A 76 3.551 4.586 19.393 1.00 2.12 C ATOM 899 CG PRO A 76 3.827 6.045 19.268 1.00 72.32 C ATOM 900 CD PRO A 76 2.791 6.582 18.319 1.00 30.23 C ATOM 0 HA PRO A 76 1.704 3.543 18.778 1.00 10.55 H new ATOM 0 HB2 PRO A 76 3.897 4.198 20.351 1.00 2.12 H new ATOM 0 HB3 PRO A 76 4.063 4.018 18.616 1.00 2.12 H new ATOM 0 HG2 PRO A 76 3.762 6.539 20.237 1.00 72.32 H new ATOM 0 HG3 PRO A 76 4.833 6.221 18.888 1.00 72.32 H new ATOM 0 HD2 PRO A 76 2.510 7.605 18.568 1.00 30.23 H new ATOM 0 HD3 PRO A 76 3.154 6.593 17.291 1.00 30.23 H new ATOM 908 N ASP A 77 0.416 5.338 20.845 1.00 51.40 N ATOM 909 CA ASP A 77 -0.290 5.422 22.118 1.00 3.44 C ATOM 910 C ASP A 77 -1.466 4.452 22.153 1.00 71.22 C ATOM 911 O ASP A 77 -2.490 4.723 22.779 1.00 41.23 O ATOM 912 CB ASP A 77 -0.783 6.850 22.359 1.00 30.14 C ATOM 913 CG ASP A 77 0.252 7.710 23.059 1.00 75.34 C ATOM 914 OD1 ASP A 77 1.007 7.169 23.894 1.00 72.34 O ATOM 915 OD2 ASP A 77 0.307 8.923 22.770 1.00 15.34 O ATOM 0 H ASP A 77 0.108 6.014 20.147 1.00 51.40 H new ATOM 0 HA ASP A 77 0.407 5.148 22.910 1.00 3.44 H new ATOM 0 HB2 ASP A 77 -1.045 7.307 21.405 1.00 30.14 H new ATOM 0 HB3 ASP A 77 -1.693 6.821 22.959 1.00 30.14 H new ATOM 920 N GLY A 78 -1.312 3.319 21.474 1.00 33.21 N ATOM 921 CA GLY A 78 -2.370 2.326 21.439 1.00 60.31 C ATOM 922 C GLY A 78 -3.428 2.642 20.400 1.00 21.14 C ATOM 923 O GLY A 78 -4.243 1.787 20.053 1.00 55.12 O ATOM 0 H GLY A 78 -0.474 3.071 20.948 1.00 33.21 H new ATOM 0 HA2 GLY A 78 -1.939 1.347 21.228 1.00 60.31 H new ATOM 0 HA3 GLY A 78 -2.838 2.263 22.422 1.00 60.31 H new ATOM 927 N THR A 79 -3.417 3.875 19.903 1.00 32.13 N ATOM 928 CA THR A 79 -4.384 4.303 18.901 1.00 54.23 C ATOM 929 C THR A 79 -3.779 4.267 17.502 1.00 32.01 C ATOM 930 O THR A 79 -2.963 5.118 17.146 1.00 33.44 O ATOM 931 CB THR A 79 -4.899 5.726 19.188 1.00 11.24 C ATOM 932 OG1 THR A 79 -5.677 6.199 18.083 1.00 71.40 O ATOM 933 CG2 THR A 79 -3.741 6.679 19.444 1.00 51.10 C ATOM 0 H THR A 79 -2.749 4.595 20.179 1.00 32.13 H new ATOM 0 HA THR A 79 -5.220 3.605 18.951 1.00 54.23 H new ATOM 0 HB THR A 79 -5.523 5.689 20.081 1.00 11.24 H new ATOM 0 HG1 THR A 79 -6.002 7.104 18.275 1.00 71.40 H new ATOM 0 HG21 THR A 79 -4.129 7.678 19.644 1.00 51.10 H new ATOM 0 HG22 THR A 79 -3.168 6.333 20.304 1.00 51.10 H new ATOM 0 HG23 THR A 79 -3.095 6.710 18.567 1.00 51.10 H new ATOM 941 N ARG A 80 -4.184 3.278 16.712 1.00 32.25 N ATOM 942 CA ARG A 80 -3.681 3.131 15.352 1.00 2.11 C ATOM 943 C ARG A 80 -4.818 2.823 14.382 1.00 24.30 C ATOM 944 O ARG A 80 -5.854 2.287 14.774 1.00 14.11 O ATOM 945 CB ARG A 80 -2.629 2.022 15.292 1.00 73.45 C ATOM 946 CG ARG A 80 -2.553 1.185 16.558 1.00 31.12 C ATOM 947 CD ARG A 80 -1.411 0.183 16.496 1.00 60.10 C ATOM 948 NE ARG A 80 -0.187 0.711 17.092 1.00 64.22 N ATOM 949 CZ ARG A 80 0.045 0.731 18.400 1.00 71.23 C ATOM 950 NH1 ARG A 80 -0.860 0.254 19.244 1.00 42.42 N ATOM 951 NH2 ARG A 80 1.184 1.228 18.866 1.00 74.43 N ATOM 0 H ARG A 80 -4.859 2.566 16.991 1.00 32.25 H new ATOM 0 HA ARG A 80 -3.221 4.074 15.057 1.00 2.11 H new ATOM 0 HB2 ARG A 80 -2.850 1.369 14.448 1.00 73.45 H new ATOM 0 HB3 ARG A 80 -1.653 2.469 15.103 1.00 73.45 H new ATOM 0 HG2 ARG A 80 -2.419 1.839 17.420 1.00 31.12 H new ATOM 0 HG3 ARG A 80 -3.495 0.656 16.703 1.00 31.12 H new ATOM 0 HD2 ARG A 80 -1.702 -0.731 17.014 1.00 60.10 H new ATOM 0 HD3 ARG A 80 -1.221 -0.087 15.457 1.00 60.10 H new ATOM 0 HE ARG A 80 0.529 1.085 16.470 1.00 64.22 H new ATOM 0 HH11 ARG A 80 -1.736 -0.129 18.889 1.00 42.42 H new ATOM 0 HH12 ARG A 80 -0.680 0.270 20.248 1.00 42.42 H new ATOM 0 HH21 ARG A 80 1.882 1.595 18.220 1.00 74.43 H new ATOM 0 HH22 ARG A 80 1.361 1.243 19.870 1.00 74.43 H new ATOM 965 N VAL A 81 -4.616 3.165 13.114 1.00 45.05 N ATOM 966 CA VAL A 81 -5.623 2.925 12.087 1.00 24.50 C ATOM 967 C VAL A 81 -5.134 1.902 11.067 1.00 35.12 C ATOM 968 O VAL A 81 -4.365 2.230 10.165 1.00 53.04 O ATOM 969 CB VAL A 81 -5.998 4.226 11.354 1.00 73.35 C ATOM 970 CG1 VAL A 81 -7.100 3.967 10.337 1.00 30.02 C ATOM 971 CG2 VAL A 81 -6.421 5.295 12.349 1.00 4.34 C ATOM 0 H VAL A 81 -3.764 3.609 12.773 1.00 45.05 H new ATOM 0 HA VAL A 81 -6.506 2.535 12.594 1.00 24.50 H new ATOM 0 HB VAL A 81 -5.120 4.587 10.819 1.00 73.35 H new ATOM 0 HG11 VAL A 81 -7.352 4.898 9.829 1.00 30.02 H new ATOM 0 HG12 VAL A 81 -6.756 3.236 9.606 1.00 30.02 H new ATOM 0 HG13 VAL A 81 -7.983 3.582 10.847 1.00 30.02 H new ATOM 0 HG21 VAL A 81 -6.682 6.208 11.813 1.00 4.34 H new ATOM 0 HG22 VAL A 81 -7.285 4.945 12.913 1.00 4.34 H new ATOM 0 HG23 VAL A 81 -5.599 5.500 13.035 1.00 4.34 H new ATOM 981 N GLU A 82 -5.588 0.661 11.218 1.00 44.22 N ATOM 982 CA GLU A 82 -5.196 -0.410 10.309 1.00 10.11 C ATOM 983 C GLU A 82 -6.097 -0.435 9.078 1.00 71.42 C ATOM 984 O GLU A 82 -7.270 -0.800 9.161 1.00 52.55 O ATOM 985 CB GLU A 82 -5.253 -1.762 11.024 1.00 5.50 C ATOM 986 CG GLU A 82 -6.574 -2.023 11.728 1.00 65.12 C ATOM 987 CD GLU A 82 -6.579 -3.333 12.491 1.00 64.41 C ATOM 988 OE1 GLU A 82 -6.121 -3.344 13.653 1.00 70.30 O ATOM 989 OE2 GLU A 82 -7.039 -4.348 11.927 1.00 53.54 O ATOM 0 H GLU A 82 -6.226 0.373 11.960 1.00 44.22 H new ATOM 0 HA GLU A 82 -4.172 -0.221 9.985 1.00 10.11 H new ATOM 0 HB2 GLU A 82 -5.075 -2.555 10.298 1.00 5.50 H new ATOM 0 HB3 GLU A 82 -4.446 -1.811 11.755 1.00 5.50 H new ATOM 0 HG2 GLU A 82 -6.782 -1.205 12.417 1.00 65.12 H new ATOM 0 HG3 GLU A 82 -7.378 -2.032 10.992 1.00 65.12 H new ATOM 996 N VAL A 83 -5.540 -0.045 7.936 1.00 62.33 N ATOM 997 CA VAL A 83 -6.291 -0.023 6.687 1.00 74.44 C ATOM 998 C VAL A 83 -5.989 -1.256 5.842 1.00 42.35 C ATOM 999 O VAL A 83 -4.904 -1.381 5.273 1.00 44.31 O ATOM 1000 CB VAL A 83 -5.976 1.240 5.864 1.00 71.11 C ATOM 1001 CG1 VAL A 83 -7.117 1.553 4.908 1.00 43.05 C ATOM 1002 CG2 VAL A 83 -5.702 2.420 6.784 1.00 22.21 C ATOM 0 H VAL A 83 -4.571 0.260 7.850 1.00 62.33 H new ATOM 0 HA VAL A 83 -7.348 -0.019 6.954 1.00 74.44 H new ATOM 0 HB VAL A 83 -5.079 1.053 5.273 1.00 71.11 H new ATOM 0 HG11 VAL A 83 -6.876 2.449 4.335 1.00 43.05 H new ATOM 0 HG12 VAL A 83 -7.261 0.714 4.227 1.00 43.05 H new ATOM 0 HG13 VAL A 83 -8.032 1.721 5.476 1.00 43.05 H new ATOM 0 HG21 VAL A 83 -5.481 3.304 6.186 1.00 22.21 H new ATOM 0 HG22 VAL A 83 -6.579 2.610 7.403 1.00 22.21 H new ATOM 0 HG23 VAL A 83 -4.849 2.192 7.424 1.00 22.21 H new ATOM 1012 N HIS A 84 -6.956 -2.164 5.763 1.00 62.45 N ATOM 1013 CA HIS A 84 -6.793 -3.388 4.985 1.00 14.12 C ATOM 1014 C HIS A 84 -7.125 -3.146 3.516 1.00 42.13 C ATOM 1015 O HIS A 84 -8.237 -2.737 3.178 1.00 22.04 O ATOM 1016 CB HIS A 84 -7.686 -4.496 5.546 1.00 50.54 C ATOM 1017 CG HIS A 84 -7.607 -4.633 7.035 1.00 42.50 C ATOM 1018 ND1 HIS A 84 -7.159 -5.776 7.663 1.00 53.32 N ATOM 1019 CD2 HIS A 84 -7.920 -3.761 8.022 1.00 4.21 C ATOM 1020 CE1 HIS A 84 -7.202 -5.602 8.972 1.00 40.03 C ATOM 1021 NE2 HIS A 84 -7.659 -4.387 9.216 1.00 33.21 N ATOM 0 H HIS A 84 -7.860 -2.076 6.227 1.00 62.45 H new ATOM 0 HA HIS A 84 -5.751 -3.700 5.057 1.00 14.12 H new ATOM 0 HB2 HIS A 84 -8.719 -4.297 5.262 1.00 50.54 H new ATOM 0 HB3 HIS A 84 -7.406 -5.444 5.087 1.00 50.54 H new ATOM 0 HD2 HIS A 84 -8.304 -2.760 7.894 1.00 4.21 H new ATOM 0 HE1 HIS A 84 -6.913 -6.329 9.716 1.00 40.03 H new ATOM 0 HE2 HIS A 84 -7.796 -3.980 10.141 1.00 33.21 H new ATOM 1029 N LEU A 85 -6.154 -3.400 2.646 1.00 44.13 N ATOM 1030 CA LEU A 85 -6.342 -3.209 1.212 1.00 62.03 C ATOM 1031 C LEU A 85 -6.460 -4.550 0.495 1.00 72.12 C ATOM 1032 O LEU A 85 -5.469 -5.256 0.309 1.00 3.15 O ATOM 1033 CB LEU A 85 -5.178 -2.406 0.627 1.00 33.31 C ATOM 1034 CG LEU A 85 -4.433 -1.496 1.604 1.00 54.42 C ATOM 1035 CD1 LEU A 85 -3.595 -0.476 0.849 1.00 25.01 C ATOM 1036 CD2 LEU A 85 -5.413 -0.798 2.536 1.00 55.24 C ATOM 0 H LEU A 85 -5.228 -3.739 2.908 1.00 44.13 H new ATOM 0 HA LEU A 85 -7.269 -2.655 1.063 1.00 62.03 H new ATOM 0 HB2 LEU A 85 -4.462 -3.105 0.194 1.00 33.31 H new ATOM 0 HB3 LEU A 85 -5.560 -1.794 -0.190 1.00 33.31 H new ATOM 0 HG LEU A 85 -3.765 -2.111 2.207 1.00 54.42 H new ATOM 0 HD11 LEU A 85 -3.072 0.163 1.560 1.00 25.01 H new ATOM 0 HD12 LEU A 85 -2.868 -0.994 0.223 1.00 25.01 H new ATOM 0 HD13 LEU A 85 -4.244 0.135 0.221 1.00 25.01 H new ATOM 0 HD21 LEU A 85 -4.865 -0.155 3.224 1.00 55.24 H new ATOM 0 HD22 LEU A 85 -6.106 -0.195 1.950 1.00 55.24 H new ATOM 0 HD23 LEU A 85 -5.971 -1.544 3.103 1.00 55.24 H new ATOM 1048 N ASP A 86 -7.678 -4.894 0.092 1.00 35.11 N ATOM 1049 CA ASP A 86 -7.926 -6.149 -0.608 1.00 34.10 C ATOM 1050 C ASP A 86 -8.705 -5.908 -1.897 1.00 52.53 C ATOM 1051 O ASP A 86 -9.854 -5.466 -1.867 1.00 30.14 O ATOM 1052 CB ASP A 86 -8.695 -7.117 0.293 1.00 70.11 C ATOM 1053 CG ASP A 86 -8.306 -6.983 1.752 1.00 1.10 C ATOM 1054 OD1 ASP A 86 -7.119 -6.709 2.026 1.00 10.33 O ATOM 1055 OD2 ASP A 86 -9.188 -7.153 2.620 1.00 50.22 O ATOM 0 H ASP A 86 -8.509 -4.321 0.238 1.00 35.11 H new ATOM 0 HA ASP A 86 -6.962 -6.590 -0.864 1.00 34.10 H new ATOM 0 HB2 ASP A 86 -9.765 -6.935 0.187 1.00 70.11 H new ATOM 0 HB3 ASP A 86 -8.511 -8.140 -0.037 1.00 70.11 H new ATOM 1060 N ARG A 87 -8.072 -6.199 -3.029 1.00 3.13 N ATOM 1061 CA ARG A 87 -8.704 -6.011 -4.329 1.00 33.13 C ATOM 1062 C ARG A 87 -9.952 -6.880 -4.457 1.00 11.13 C ATOM 1063 O ARG A 87 -10.707 -6.761 -5.422 1.00 30.11 O ATOM 1064 CB ARG A 87 -7.720 -6.345 -5.451 1.00 52.34 C ATOM 1065 CG ARG A 87 -7.974 -5.569 -6.734 1.00 22.41 C ATOM 1066 CD ARG A 87 -8.658 -6.434 -7.781 1.00 41.24 C ATOM 1067 NE ARG A 87 -9.220 -5.636 -8.868 1.00 10.44 N ATOM 1068 CZ ARG A 87 -9.898 -6.154 -9.886 1.00 0.23 C ATOM 1069 NH1 ARG A 87 -10.097 -7.463 -9.956 1.00 53.31 N ATOM 1070 NH2 ARG A 87 -10.379 -5.362 -10.836 1.00 24.02 N ATOM 0 H ARG A 87 -7.121 -6.566 -3.072 1.00 3.13 H new ATOM 0 HA ARG A 87 -9.000 -4.965 -4.414 1.00 33.13 H new ATOM 0 HB2 ARG A 87 -6.706 -6.140 -5.107 1.00 52.34 H new ATOM 0 HB3 ARG A 87 -7.774 -7.412 -5.665 1.00 52.34 H new ATOM 0 HG2 ARG A 87 -8.594 -4.699 -6.518 1.00 22.41 H new ATOM 0 HG3 ARG A 87 -7.029 -5.197 -7.129 1.00 22.41 H new ATOM 0 HD2 ARG A 87 -7.940 -7.146 -8.188 1.00 41.24 H new ATOM 0 HD3 ARG A 87 -9.451 -7.014 -7.310 1.00 41.24 H new ATOM 0 HE ARG A 87 -9.084 -4.625 -8.844 1.00 10.44 H new ATOM 0 HH11 ARG A 87 -9.729 -8.074 -9.227 1.00 53.31 H new ATOM 0 HH12 ARG A 87 -10.618 -7.859 -10.739 1.00 53.31 H new ATOM 0 HH21 ARG A 87 -10.228 -4.355 -10.785 1.00 24.02 H new ATOM 0 HH22 ARG A 87 -10.899 -5.761 -11.617 1.00 24.02 H new ATOM 1084 N ASP A 88 -10.162 -7.753 -3.478 1.00 4.04 N ATOM 1085 CA ASP A 88 -11.318 -8.642 -3.480 1.00 41.41 C ATOM 1086 C ASP A 88 -12.545 -7.938 -2.909 1.00 72.21 C ATOM 1087 O ASP A 88 -13.394 -8.565 -2.276 1.00 34.34 O ATOM 1088 CB ASP A 88 -11.018 -9.906 -2.673 1.00 41.04 C ATOM 1089 CG ASP A 88 -12.009 -11.019 -2.952 1.00 21.03 C ATOM 1090 OD1 ASP A 88 -12.106 -11.448 -4.120 1.00 63.13 O ATOM 1091 OD2 ASP A 88 -12.688 -11.461 -2.001 1.00 53.51 O ATOM 0 H ASP A 88 -9.546 -7.864 -2.672 1.00 4.04 H new ATOM 0 HA ASP A 88 -11.529 -8.922 -4.512 1.00 41.41 H new ATOM 0 HB2 ASP A 88 -10.011 -10.253 -2.907 1.00 41.04 H new ATOM 0 HB3 ASP A 88 -11.034 -9.667 -1.610 1.00 41.04 H new ATOM 1096 N PHE A 89 -12.631 -6.632 -3.137 1.00 14.34 N ATOM 1097 CA PHE A 89 -13.754 -5.842 -2.643 1.00 64.21 C ATOM 1098 C PHE A 89 -13.390 -5.136 -1.340 1.00 53.43 C ATOM 1099 O PHE A 89 -13.898 -4.053 -1.046 1.00 71.42 O ATOM 1100 CB PHE A 89 -14.977 -6.735 -2.428 1.00 74.10 C ATOM 1101 CG PHE A 89 -15.399 -7.481 -3.662 1.00 14.14 C ATOM 1102 CD1 PHE A 89 -15.252 -6.911 -4.916 1.00 31.40 C ATOM 1103 CD2 PHE A 89 -15.944 -8.751 -3.567 1.00 31.55 C ATOM 1104 CE1 PHE A 89 -15.639 -7.595 -6.053 1.00 71.22 C ATOM 1105 CE2 PHE A 89 -16.332 -9.440 -4.700 1.00 74.11 C ATOM 1106 CZ PHE A 89 -16.181 -8.861 -5.945 1.00 1.12 C ATOM 0 H PHE A 89 -11.937 -6.098 -3.660 1.00 14.34 H new ATOM 0 HA PHE A 89 -13.992 -5.086 -3.391 1.00 64.21 H new ATOM 0 HB2 PHE A 89 -14.759 -7.452 -1.637 1.00 74.10 H new ATOM 0 HB3 PHE A 89 -15.809 -6.121 -2.082 1.00 74.10 H new ATOM 0 HD1 PHE A 89 -14.830 -5.921 -5.006 1.00 31.40 H new ATOM 0 HD2 PHE A 89 -16.067 -9.208 -2.596 1.00 31.55 H new ATOM 0 HE1 PHE A 89 -15.518 -7.140 -7.025 1.00 71.22 H new ATOM 0 HE2 PHE A 89 -16.753 -10.431 -4.612 1.00 74.11 H new ATOM 0 HZ PHE A 89 -16.486 -9.397 -6.832 1.00 1.12 H new ATOM 1116 N ARG A 90 -12.508 -5.756 -0.564 1.00 35.44 N ATOM 1117 CA ARG A 90 -12.078 -5.189 0.709 1.00 51.15 C ATOM 1118 C ARG A 90 -10.820 -4.345 0.529 1.00 4.23 C ATOM 1119 O ARG A 90 -9.952 -4.312 1.402 1.00 64.34 O ATOM 1120 CB ARG A 90 -11.818 -6.301 1.726 1.00 72.52 C ATOM 1121 CG ARG A 90 -13.060 -6.729 2.491 1.00 61.41 C ATOM 1122 CD ARG A 90 -14.081 -7.383 1.574 1.00 75.52 C ATOM 1123 NE ARG A 90 -14.601 -8.628 2.133 1.00 33.42 N ATOM 1124 CZ ARG A 90 -15.526 -8.676 3.086 1.00 25.41 C ATOM 1125 NH1 ARG A 90 -16.029 -7.555 3.583 1.00 73.12 N ATOM 1126 NH2 ARG A 90 -15.948 -9.848 3.544 1.00 70.13 N ATOM 0 H ARG A 90 -12.077 -6.651 -0.794 1.00 35.44 H new ATOM 0 HA ARG A 90 -12.877 -4.547 1.081 1.00 51.15 H new ATOM 0 HB2 ARG A 90 -11.405 -7.166 1.208 1.00 72.52 H new ATOM 0 HB3 ARG A 90 -11.063 -5.963 2.436 1.00 72.52 H new ATOM 0 HG2 ARG A 90 -12.780 -7.426 3.281 1.00 61.41 H new ATOM 0 HG3 ARG A 90 -13.508 -5.861 2.975 1.00 61.41 H new ATOM 0 HD2 ARG A 90 -14.906 -6.692 1.399 1.00 75.52 H new ATOM 0 HD3 ARG A 90 -13.622 -7.584 0.606 1.00 75.52 H new ATOM 0 HE ARG A 90 -14.234 -9.509 1.772 1.00 33.42 H new ATOM 0 HH11 ARG A 90 -15.706 -6.653 3.234 1.00 73.12 H new ATOM 0 HH12 ARG A 90 -16.739 -7.595 4.314 1.00 73.12 H new ATOM 0 HH21 ARG A 90 -15.562 -10.713 3.165 1.00 70.13 H new ATOM 0 HH22 ARG A 90 -16.658 -9.884 4.275 1.00 70.13 H new ATOM 1140 N VAL A 91 -10.728 -3.663 -0.608 1.00 65.02 N ATOM 1141 CA VAL A 91 -9.576 -2.818 -0.902 1.00 71.31 C ATOM 1142 C VAL A 91 -9.417 -1.722 0.146 1.00 63.53 C ATOM 1143 O VAL A 91 -8.309 -1.248 0.401 1.00 62.35 O ATOM 1144 CB VAL A 91 -9.697 -2.169 -2.294 1.00 22.23 C ATOM 1145 CG1 VAL A 91 -8.426 -2.393 -3.100 1.00 33.05 C ATOM 1146 CG2 VAL A 91 -10.910 -2.715 -3.032 1.00 65.03 C ATOM 0 H VAL A 91 -11.437 -3.679 -1.341 1.00 65.02 H new ATOM 0 HA VAL A 91 -8.697 -3.463 -0.885 1.00 71.31 H new ATOM 0 HB VAL A 91 -9.832 -1.095 -2.165 1.00 22.23 H new ATOM 0 HG11 VAL A 91 -8.530 -1.928 -4.080 1.00 33.05 H new ATOM 0 HG12 VAL A 91 -7.580 -1.949 -2.576 1.00 33.05 H new ATOM 0 HG13 VAL A 91 -8.257 -3.463 -3.222 1.00 33.05 H new ATOM 0 HG21 VAL A 91 -10.980 -2.246 -4.013 1.00 65.03 H new ATOM 0 HG22 VAL A 91 -10.808 -3.794 -3.152 1.00 65.03 H new ATOM 0 HG23 VAL A 91 -11.812 -2.497 -2.460 1.00 65.03 H new ATOM 1156 N LEU A 92 -10.530 -1.324 0.751 1.00 30.20 N ATOM 1157 CA LEU A 92 -10.515 -0.283 1.773 1.00 22.42 C ATOM 1158 C LEU A 92 -11.104 -0.798 3.083 1.00 41.32 C ATOM 1159 O LEU A 92 -11.675 -0.033 3.861 1.00 62.22 O ATOM 1160 CB LEU A 92 -11.297 0.941 1.294 1.00 35.45 C ATOM 1161 CG LEU A 92 -11.323 1.172 -0.217 1.00 30.02 C ATOM 1162 CD1 LEU A 92 -12.345 2.239 -0.576 1.00 74.02 C ATOM 1163 CD2 LEU A 92 -9.941 1.564 -0.720 1.00 33.32 C ATOM 0 H LEU A 92 -11.455 -1.706 0.552 1.00 30.20 H new ATOM 0 HA LEU A 92 -9.478 0.003 1.950 1.00 22.42 H new ATOM 0 HB2 LEU A 92 -12.325 0.851 1.645 1.00 35.45 H new ATOM 0 HB3 LEU A 92 -10.874 1.826 1.769 1.00 35.45 H new ATOM 0 HG LEU A 92 -11.614 0.241 -0.703 1.00 30.02 H new ATOM 0 HD11 LEU A 92 -12.349 2.390 -1.655 1.00 74.02 H new ATOM 0 HD12 LEU A 92 -13.335 1.919 -0.250 1.00 74.02 H new ATOM 0 HD13 LEU A 92 -12.084 3.174 -0.080 1.00 74.02 H new ATOM 0 HD21 LEU A 92 -9.978 1.725 -1.797 1.00 33.32 H new ATOM 0 HD22 LEU A 92 -9.621 2.482 -0.227 1.00 33.32 H new ATOM 0 HD23 LEU A 92 -9.233 0.766 -0.496 1.00 33.32 H new ATOM 1175 N ASP A 93 -10.960 -2.097 3.320 1.00 4.45 N ATOM 1176 CA ASP A 93 -11.474 -2.713 4.538 1.00 74.03 C ATOM 1177 C ASP A 93 -10.648 -2.295 5.750 1.00 70.10 C ATOM 1178 O ASP A 93 -9.964 -3.116 6.362 1.00 31.13 O ATOM 1179 CB ASP A 93 -11.472 -4.237 4.404 1.00 42.42 C ATOM 1180 CG ASP A 93 -11.958 -4.929 5.662 1.00 61.22 C ATOM 1181 OD1 ASP A 93 -13.163 -4.820 5.971 1.00 4.30 O ATOM 1182 OD2 ASP A 93 -11.133 -5.580 6.338 1.00 73.15 O ATOM 0 H ASP A 93 -10.492 -2.744 2.685 1.00 4.45 H new ATOM 0 HA ASP A 93 -12.498 -2.370 4.684 1.00 74.03 H new ATOM 0 HB2 ASP A 93 -12.106 -4.526 3.566 1.00 42.42 H new ATOM 0 HB3 ASP A 93 -10.463 -4.577 4.172 1.00 42.42 H new ATOM 1187 N THR A 94 -10.715 -1.012 6.091 1.00 4.15 N ATOM 1188 CA THR A 94 -9.971 -0.484 7.229 1.00 72.15 C ATOM 1189 C THR A 94 -10.741 -0.684 8.529 1.00 24.42 C ATOM 1190 O THR A 94 -11.970 -0.725 8.533 1.00 54.21 O ATOM 1191 CB THR A 94 -9.665 1.015 7.052 1.00 2.13 C ATOM 1192 OG1 THR A 94 -8.698 1.435 8.022 1.00 74.10 O ATOM 1193 CG2 THR A 94 -10.930 1.847 7.197 1.00 33.21 C ATOM 0 H THR A 94 -11.276 -0.319 5.596 1.00 4.15 H new ATOM 0 HA THR A 94 -9.032 -1.036 7.278 1.00 72.15 H new ATOM 0 HB THR A 94 -9.264 1.165 6.050 1.00 2.13 H new ATOM 0 HG1 THR A 94 -8.340 0.651 8.488 1.00 74.10 H new ATOM 0 HG21 THR A 94 -10.688 2.902 7.068 1.00 33.21 H new ATOM 0 HG22 THR A 94 -11.653 1.545 6.439 1.00 33.21 H new ATOM 0 HG23 THR A 94 -11.356 1.691 8.188 1.00 33.21 H new ATOM 1201 N GLU A 95 -10.008 -0.809 9.632 1.00 51.44 N ATOM 1202 CA GLU A 95 -10.624 -1.005 10.939 1.00 43.12 C ATOM 1203 C GLU A 95 -9.807 -0.322 12.033 1.00 73.54 C ATOM 1204 O GLU A 95 -8.614 -0.060 11.880 1.00 71.33 O ATOM 1205 CB GLU A 95 -10.759 -2.498 11.245 1.00 61.04 C ATOM 1206 CG GLU A 95 -12.099 -3.085 10.834 1.00 50.43 C ATOM 1207 CD GLU A 95 -12.481 -4.300 11.656 1.00 65.21 C ATOM 1208 OE1 GLU A 95 -11.586 -5.120 11.952 1.00 1.21 O ATOM 1209 OE2 GLU A 95 -13.673 -4.432 12.003 1.00 63.21 O ATOM 0 H GLU A 95 -8.989 -0.778 9.646 1.00 51.44 H new ATOM 0 HA GLU A 95 -11.617 -0.555 10.916 1.00 43.12 H new ATOM 0 HB2 GLU A 95 -9.963 -3.039 10.733 1.00 61.04 H new ATOM 0 HB3 GLU A 95 -10.615 -2.656 12.314 1.00 61.04 H new ATOM 0 HG2 GLU A 95 -12.872 -2.323 10.938 1.00 50.43 H new ATOM 0 HG3 GLU A 95 -12.063 -3.361 9.780 1.00 50.43 H new ATOM 1216 N PRO A 96 -10.465 -0.027 13.164 1.00 42.23 N ATOM 1217 CA PRO A 96 -9.820 0.629 14.306 1.00 75.14 C ATOM 1218 C PRO A 96 -8.821 -0.283 15.009 1.00 1.42 C ATOM 1219 O PRO A 96 -9.125 -1.436 15.313 1.00 51.30 O ATOM 1220 CB PRO A 96 -10.992 0.955 15.235 1.00 53.53 C ATOM 1221 CG PRO A 96 -12.041 -0.044 14.887 1.00 11.22 C ATOM 1222 CD PRO A 96 -11.888 -0.310 13.415 1.00 23.32 C ATOM 0 HA PRO A 96 -9.243 1.502 14.002 1.00 75.14 H new ATOM 0 HB2 PRO A 96 -10.701 0.875 16.282 1.00 53.53 H new ATOM 0 HB3 PRO A 96 -11.348 1.973 15.080 1.00 53.53 H new ATOM 0 HG2 PRO A 96 -11.914 -0.960 15.464 1.00 11.22 H new ATOM 0 HG3 PRO A 96 -13.036 0.340 15.113 1.00 11.22 H new ATOM 0 HD2 PRO A 96 -12.143 -1.339 13.164 1.00 23.32 H new ATOM 0 HD3 PRO A 96 -12.537 0.333 12.821 1.00 23.32 H new ATOM 1230 N ALA A 97 -7.627 0.242 15.266 1.00 52.23 N ATOM 1231 CA ALA A 97 -6.584 -0.524 15.936 1.00 41.10 C ATOM 1232 C ALA A 97 -6.292 0.041 17.322 1.00 51.52 C ATOM 1233 O ALA A 97 -5.624 1.067 17.456 1.00 32.13 O ATOM 1234 CB ALA A 97 -5.317 -0.540 15.093 1.00 32.41 C ATOM 0 H ALA A 97 -7.359 1.195 15.020 1.00 52.23 H new ATOM 0 HA ALA A 97 -6.940 -1.547 16.057 1.00 41.10 H new ATOM 0 HB1 ALA A 97 -4.546 -1.116 15.606 1.00 32.41 H new ATOM 0 HB2 ALA A 97 -5.529 -0.997 14.126 1.00 32.41 H new ATOM 0 HB3 ALA A 97 -4.967 0.481 14.942 1.00 32.41 H new ATOM 1240 N ASP A 98 -6.797 -0.633 18.349 1.00 51.21 N ATOM 1241 CA ASP A 98 -6.590 -0.198 19.725 1.00 11.43 C ATOM 1242 C ASP A 98 -5.513 -1.037 20.405 1.00 64.15 C ATOM 1243 O ASP A 98 -5.334 -0.970 21.620 1.00 65.42 O ATOM 1244 CB ASP A 98 -7.898 -0.289 20.514 1.00 44.34 C ATOM 1245 CG ASP A 98 -8.264 1.023 21.180 1.00 32.43 C ATOM 1246 OD1 ASP A 98 -7.375 1.641 21.801 1.00 43.32 O ATOM 1247 OD2 ASP A 98 -9.441 1.430 21.082 1.00 30.24 O ATOM 0 H ASP A 98 -7.353 -1.483 18.255 1.00 51.21 H new ATOM 0 HA ASP A 98 -6.258 0.840 19.705 1.00 11.43 H new ATOM 0 HB2 ASP A 98 -8.703 -0.590 19.844 1.00 44.34 H new ATOM 0 HB3 ASP A 98 -7.808 -1.066 21.273 1.00 44.34 H new ATOM 1252 N GLY A 99 -4.798 -1.829 19.610 1.00 3.44 N ATOM 1253 CA GLY A 99 -3.748 -2.671 20.153 1.00 42.21 C ATOM 1254 C GLY A 99 -4.271 -4.007 20.643 1.00 50.53 C ATOM 1255 O GLY A 99 -3.508 -4.960 20.800 1.00 10.22 O ATOM 0 H GLY A 99 -4.927 -1.902 18.601 1.00 3.44 H new ATOM 0 HA2 GLY A 99 -2.990 -2.840 19.388 1.00 42.21 H new ATOM 0 HA3 GLY A 99 -3.259 -2.151 20.977 1.00 42.21 H new ATOM 1259 N ASP A 100 -5.575 -4.076 20.886 1.00 52.02 N ATOM 1260 CA ASP A 100 -6.200 -5.305 21.361 1.00 1.25 C ATOM 1261 C ASP A 100 -6.787 -6.101 20.200 1.00 2.10 C ATOM 1262 O ASP A 100 -6.661 -7.323 20.146 1.00 62.53 O ATOM 1263 CB ASP A 100 -7.294 -4.984 22.381 1.00 71.41 C ATOM 1264 CG ASP A 100 -6.883 -3.891 23.347 1.00 51.52 C ATOM 1265 OD1 ASP A 100 -6.131 -4.190 24.298 1.00 60.20 O ATOM 1266 OD2 ASP A 100 -7.313 -2.735 23.151 1.00 2.42 O ATOM 0 H ASP A 100 -6.220 -3.296 20.762 1.00 52.02 H new ATOM 0 HA ASP A 100 -5.432 -5.912 21.841 1.00 1.25 H new ATOM 0 HB2 ASP A 100 -8.199 -4.679 21.855 1.00 71.41 H new ATOM 0 HB3 ASP A 100 -7.540 -5.886 22.941 1.00 71.41 H new ATOM 1271 N GLY A 101 -7.430 -5.398 19.272 1.00 31.15 N ATOM 1272 CA GLY A 101 -8.028 -6.056 18.125 1.00 11.14 C ATOM 1273 C GLY A 101 -9.377 -6.668 18.446 1.00 32.12 C ATOM 1274 O GLY A 101 -9.779 -7.658 17.835 1.00 3.35 O ATOM 0 H GLY A 101 -7.547 -4.385 19.294 1.00 31.15 H new ATOM 0 HA2 GLY A 101 -8.143 -5.335 17.316 1.00 11.14 H new ATOM 0 HA3 GLY A 101 -7.356 -6.835 17.765 1.00 11.14 H new ATOM 1278 N GLY A 102 -10.079 -6.079 19.410 1.00 41.23 N ATOM 1279 CA GLY A 102 -11.382 -6.587 19.795 1.00 33.42 C ATOM 1280 C GLY A 102 -12.519 -5.777 19.204 1.00 1.14 C ATOM 1281 O GLY A 102 -13.520 -6.335 18.755 1.00 2.01 O ATOM 0 H GLY A 102 -9.768 -5.259 19.931 1.00 41.23 H new ATOM 0 HA2 GLY A 102 -11.474 -7.624 19.473 1.00 33.42 H new ATOM 0 HA3 GLY A 102 -11.464 -6.582 20.882 1.00 33.42 H new TER 1285 GLY A 102