USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 THR OG1 : rot 96:sc= 1.74 USER MOD Set 1.2: A 69 TYR OH : rot 180:sc= 0.268 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 78:sc= 0.553 USER MOD Single : A 19 ASN : amide:sc= -0.0822 X(o=-0.082,f=0) USER MOD Single : A 21 TYR OH : rot -37:sc= 0.793 USER MOD Single : A 23 GLN : amide:sc= -0.547 K(o=-0.55,f=-1.7) USER MOD Single : A 26 MET CE :methyl 167:sc= -0.014 (180deg=-0.227) USER MOD Single : A 35 THR OG1 : rot 150:sc= -3.7! USER MOD Single : A 48 GLN :FLIP amide:sc=-0.00801 F(o=-1.2,f=-0.008) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.03 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -47:sc= -3.55! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -0.98 F(o=-1.5,f=-0.98) USER MOD Single : A 94 THR OG1 : rot 9:sc= 0.784 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 0.527 0.145 -0.697 1.00 12.15 N ATOM 2 CA ASP A 11 0.691 0.484 -2.105 1.00 53.34 C ATOM 3 C ASP A 11 0.705 -0.773 -2.969 1.00 35.20 C ATOM 4 O ASP A 11 0.667 -0.695 -4.197 1.00 62.42 O ATOM 5 CB ASP A 11 1.983 1.276 -2.314 1.00 73.24 C ATOM 6 CG ASP A 11 1.724 2.742 -2.602 1.00 35.43 C ATOM 7 OD1 ASP A 11 1.183 3.434 -1.714 1.00 35.00 O ATOM 8 OD2 ASP A 11 2.062 3.197 -3.714 1.00 25.31 O ATOM 0 HA ASP A 11 -0.156 1.100 -2.406 1.00 53.34 H new ATOM 0 HB2 ASP A 11 2.607 1.188 -1.425 1.00 73.24 H new ATOM 0 HB3 ASP A 11 2.543 0.840 -3.141 1.00 73.24 H new ATOM 13 N TYR A 12 0.759 -1.930 -2.319 1.00 64.30 N ATOM 14 CA TYR A 12 0.782 -3.204 -3.027 1.00 72.54 C ATOM 15 C TYR A 12 -0.542 -3.453 -3.745 1.00 3.54 C ATOM 16 O TYR A 12 -0.565 -3.907 -4.888 1.00 72.15 O ATOM 17 CB TYR A 12 1.069 -4.348 -2.053 1.00 61.45 C ATOM 18 CG TYR A 12 2.318 -4.140 -1.226 1.00 74.33 C ATOM 19 CD1 TYR A 12 2.263 -3.484 -0.003 1.00 21.00 C ATOM 20 CD2 TYR A 12 3.552 -4.601 -1.668 1.00 71.11 C ATOM 21 CE1 TYR A 12 3.401 -3.291 0.755 1.00 24.14 C ATOM 22 CE2 TYR A 12 4.695 -4.414 -0.916 1.00 2.05 C ATOM 23 CZ TYR A 12 4.615 -3.758 0.295 1.00 31.01 C ATOM 24 OH TYR A 12 5.751 -3.569 1.048 1.00 31.14 O ATOM 0 H TYR A 12 0.788 -2.012 -1.303 1.00 64.30 H new ATOM 0 HA TYR A 12 1.577 -3.162 -3.772 1.00 72.54 H new ATOM 0 HB2 TYR A 12 0.216 -4.467 -1.384 1.00 61.45 H new ATOM 0 HB3 TYR A 12 1.166 -5.277 -2.615 1.00 61.45 H new ATOM 0 HD1 TYR A 12 1.314 -3.119 0.361 1.00 21.00 H new ATOM 0 HD2 TYR A 12 3.618 -5.114 -2.616 1.00 71.11 H new ATOM 0 HE1 TYR A 12 3.341 -2.777 1.703 1.00 24.14 H new ATOM 0 HE2 TYR A 12 5.646 -4.779 -1.274 1.00 2.05 H new ATOM 0 HH TYR A 12 6.521 -3.958 0.583 1.00 31.14 H new ATOM 34 N ASP A 13 -1.641 -3.150 -3.064 1.00 15.12 N ATOM 35 CA ASP A 13 -2.970 -3.338 -3.635 1.00 12.42 C ATOM 36 C ASP A 13 -3.194 -2.394 -4.813 1.00 24.42 C ATOM 37 O ASP A 13 -2.274 -2.121 -5.585 1.00 21.42 O ATOM 38 CB ASP A 13 -4.043 -3.107 -2.570 1.00 15.31 C ATOM 39 CG ASP A 13 -5.314 -3.885 -2.850 1.00 22.30 C ATOM 40 OD1 ASP A 13 -5.250 -4.867 -3.619 1.00 53.44 O ATOM 41 OD2 ASP A 13 -6.372 -3.513 -2.300 1.00 42.24 O ATOM 0 H ASP A 13 -1.638 -2.773 -2.116 1.00 15.12 H new ATOM 0 HA ASP A 13 -3.042 -4.364 -3.996 1.00 12.42 H new ATOM 0 HB2 ASP A 13 -3.651 -3.396 -1.595 1.00 15.31 H new ATOM 0 HB3 ASP A 13 -4.276 -2.043 -2.518 1.00 15.31 H new ATOM 46 N ILE A 14 -4.420 -1.901 -4.945 1.00 32.22 N ATOM 47 CA ILE A 14 -4.764 -0.989 -6.029 1.00 23.05 C ATOM 48 C ILE A 14 -4.209 0.408 -5.768 1.00 75.51 C ATOM 49 O ILE A 14 -4.616 1.100 -4.835 1.00 34.12 O ATOM 50 CB ILE A 14 -6.289 -0.896 -6.224 1.00 4.31 C ATOM 51 CG1 ILE A 14 -6.825 -2.188 -6.842 1.00 35.41 C ATOM 52 CG2 ILE A 14 -6.639 0.300 -7.097 1.00 5.33 C ATOM 53 CD1 ILE A 14 -6.378 -2.407 -8.270 1.00 43.21 C ATOM 0 H ILE A 14 -5.192 -2.118 -4.315 1.00 32.22 H new ATOM 0 HA ILE A 14 -4.315 -1.392 -6.936 1.00 23.05 H new ATOM 0 HB ILE A 14 -6.758 -0.760 -5.249 1.00 4.31 H new ATOM 0 HG12 ILE A 14 -6.501 -3.033 -6.235 1.00 35.41 H new ATOM 0 HG13 ILE A 14 -7.914 -2.172 -6.810 1.00 35.41 H new ATOM 0 HG21 ILE A 14 -7.720 0.352 -7.226 1.00 5.33 H new ATOM 0 HG22 ILE A 14 -6.286 1.214 -6.620 1.00 5.33 H new ATOM 0 HG23 ILE A 14 -6.162 0.191 -8.071 1.00 5.33 H new ATOM 0 HD11 ILE A 14 -6.796 -3.342 -8.643 1.00 43.21 H new ATOM 0 HD12 ILE A 14 -6.725 -1.581 -8.891 1.00 43.21 H new ATOM 0 HD13 ILE A 14 -5.290 -2.456 -8.307 1.00 43.21 H new ATOM 65 N PRO A 15 -3.259 0.834 -6.613 1.00 51.01 N ATOM 66 CA PRO A 15 -2.630 2.153 -6.496 1.00 60.14 C ATOM 67 C PRO A 15 -3.588 3.286 -6.848 1.00 35.51 C ATOM 68 O PRO A 15 -3.167 4.415 -7.098 1.00 42.24 O ATOM 69 CB PRO A 15 -1.483 2.090 -7.508 1.00 71.42 C ATOM 70 CG PRO A 15 -1.917 1.075 -8.509 1.00 64.11 C ATOM 71 CD PRO A 15 -2.726 0.062 -7.748 1.00 20.31 C ATOM 0 HA PRO A 15 -2.307 2.361 -5.476 1.00 60.14 H new ATOM 0 HB2 PRO A 15 -1.314 3.060 -7.975 1.00 71.42 H new ATOM 0 HB3 PRO A 15 -0.548 1.799 -7.029 1.00 71.42 H new ATOM 0 HG2 PRO A 15 -2.511 1.535 -9.299 1.00 64.11 H new ATOM 0 HG3 PRO A 15 -1.057 0.607 -8.988 1.00 64.11 H new ATOM 0 HD2 PRO A 15 -3.525 -0.356 -8.360 1.00 20.31 H new ATOM 0 HD3 PRO A 15 -2.111 -0.773 -7.413 1.00 20.31 H new ATOM 79 N THR A 16 -4.882 2.977 -6.864 1.00 64.14 N ATOM 80 CA THR A 16 -5.900 3.969 -7.186 1.00 30.42 C ATOM 81 C THR A 16 -7.067 3.895 -6.208 1.00 1.34 C ATOM 82 O THR A 16 -8.182 4.312 -6.522 1.00 51.52 O ATOM 83 CB THR A 16 -6.434 3.782 -8.619 1.00 24.13 C ATOM 84 OG1 THR A 16 -5.358 3.442 -9.501 1.00 55.04 O ATOM 85 CG2 THR A 16 -7.119 5.048 -9.110 1.00 71.21 C ATOM 0 H THR A 16 -5.249 2.048 -6.658 1.00 64.14 H new ATOM 0 HA THR A 16 -5.425 4.947 -7.108 1.00 30.42 H new ATOM 0 HB THR A 16 -7.165 2.973 -8.609 1.00 24.13 H new ATOM 0 HG1 THR A 16 -5.705 3.323 -10.410 1.00 55.04 H new ATOM 0 HG21 THR A 16 -7.488 4.892 -10.124 1.00 71.21 H new ATOM 0 HG22 THR A 16 -7.955 5.288 -8.453 1.00 71.21 H new ATOM 0 HG23 THR A 16 -6.406 5.872 -9.106 1.00 71.21 H new ATOM 93 N THR A 17 -6.804 3.363 -5.018 1.00 64.33 N ATOM 94 CA THR A 17 -7.832 3.234 -3.994 1.00 12.42 C ATOM 95 C THR A 17 -8.128 4.579 -3.340 1.00 53.55 C ATOM 96 O THR A 17 -8.071 5.622 -3.992 1.00 75.42 O ATOM 97 CB THR A 17 -7.417 2.228 -2.904 1.00 74.43 C ATOM 98 OG1 THR A 17 -6.577 1.214 -3.468 1.00 12.31 O ATOM 99 CG2 THR A 17 -8.640 1.584 -2.269 1.00 33.34 C ATOM 0 H THR A 17 -5.887 3.014 -4.740 1.00 64.33 H new ATOM 0 HA THR A 17 -8.730 2.869 -4.493 1.00 12.42 H new ATOM 0 HB THR A 17 -6.868 2.767 -2.132 1.00 74.43 H new ATOM 0 HG1 THR A 17 -5.670 1.567 -3.582 1.00 12.31 H new ATOM 0 HG21 THR A 17 -8.322 0.877 -1.502 1.00 33.34 H new ATOM 0 HG22 THR A 17 -9.263 2.355 -1.816 1.00 33.34 H new ATOM 0 HG23 THR A 17 -9.212 1.058 -3.033 1.00 33.34 H new ATOM 107 N GLU A 18 -8.444 4.549 -2.049 1.00 64.54 N ATOM 108 CA GLU A 18 -8.749 5.767 -1.309 1.00 3.12 C ATOM 109 C GLU A 18 -7.471 6.431 -0.804 1.00 41.43 C ATOM 110 O GLU A 18 -6.741 7.059 -1.570 1.00 70.13 O ATOM 111 CB GLU A 18 -9.674 5.456 -0.131 1.00 13.22 C ATOM 112 CG GLU A 18 -11.071 5.029 -0.550 1.00 63.33 C ATOM 113 CD GLU A 18 -12.085 5.171 0.568 1.00 40.11 C ATOM 114 OE1 GLU A 18 -11.669 5.199 1.745 1.00 31.53 O ATOM 115 OE2 GLU A 18 -13.294 5.255 0.266 1.00 23.22 O ATOM 0 H GLU A 18 -8.495 3.694 -1.494 1.00 64.54 H new ATOM 0 HA GLU A 18 -9.253 6.456 -1.986 1.00 3.12 H new ATOM 0 HB2 GLU A 18 -9.227 4.666 0.472 1.00 13.22 H new ATOM 0 HB3 GLU A 18 -9.748 6.338 0.505 1.00 13.22 H new ATOM 0 HG2 GLU A 18 -11.390 5.629 -1.403 1.00 63.33 H new ATOM 0 HG3 GLU A 18 -11.045 3.991 -0.882 1.00 63.33 H new ATOM 122 N ASN A 19 -7.208 6.288 0.491 1.00 52.33 N ATOM 123 CA ASN A 19 -6.020 6.875 1.099 1.00 44.11 C ATOM 124 C ASN A 19 -4.920 5.831 1.261 1.00 25.54 C ATOM 125 O ASN A 19 -3.876 6.099 1.858 1.00 12.34 O ATOM 126 CB ASN A 19 -6.365 7.484 2.459 1.00 11.13 C ATOM 127 CG ASN A 19 -6.388 9.000 2.425 1.00 11.01 C ATOM 128 OD1 ASN A 19 -5.809 9.660 3.288 1.00 45.35 O ATOM 129 ND2 ASN A 19 -7.060 9.559 1.426 1.00 73.05 N ATOM 0 H ASN A 19 -7.802 5.771 1.139 1.00 52.33 H new ATOM 0 HA ASN A 19 -5.656 7.662 0.439 1.00 44.11 H new ATOM 0 HB2 ASN A 19 -7.339 7.116 2.782 1.00 11.13 H new ATOM 0 HB3 ASN A 19 -5.637 7.151 3.198 1.00 11.13 H new ATOM 0 HD21 ASN A 19 -7.111 10.575 1.351 1.00 73.05 H new ATOM 0 HD22 ASN A 19 -7.525 8.973 0.733 1.00 73.05 H new ATOM 136 N LEU A 20 -5.159 4.639 0.726 1.00 75.31 N ATOM 137 CA LEU A 20 -4.189 3.553 0.810 1.00 32.34 C ATOM 138 C LEU A 20 -2.922 3.893 0.032 1.00 31.23 C ATOM 139 O LEU A 20 -1.818 3.520 0.430 1.00 12.13 O ATOM 140 CB LEU A 20 -4.798 2.256 0.274 1.00 21.33 C ATOM 141 CG LEU A 20 -5.668 1.468 1.254 1.00 71.41 C ATOM 142 CD1 LEU A 20 -6.697 2.378 1.905 1.00 13.14 C ATOM 143 CD2 LEU A 20 -6.352 0.308 0.545 1.00 32.54 C ATOM 0 H LEU A 20 -6.017 4.400 0.229 1.00 75.31 H new ATOM 0 HA LEU A 20 -3.924 3.416 1.858 1.00 32.34 H new ATOM 0 HB2 LEU A 20 -5.399 2.496 -0.603 1.00 21.33 H new ATOM 0 HB3 LEU A 20 -3.988 1.609 -0.062 1.00 21.33 H new ATOM 0 HG LEU A 20 -5.026 1.063 2.036 1.00 71.41 H new ATOM 0 HD11 LEU A 20 -7.307 1.800 2.599 1.00 13.14 H new ATOM 0 HD12 LEU A 20 -6.187 3.175 2.447 1.00 13.14 H new ATOM 0 HD13 LEU A 20 -7.336 2.813 1.136 1.00 13.14 H new ATOM 0 HD21 LEU A 20 -6.967 -0.242 1.257 1.00 32.54 H new ATOM 0 HD22 LEU A 20 -6.982 0.692 -0.257 1.00 32.54 H new ATOM 0 HD23 LEU A 20 -5.598 -0.358 0.127 1.00 32.54 H new ATOM 155 N TYR A 21 -3.089 4.604 -1.077 1.00 64.12 N ATOM 156 CA TYR A 21 -1.958 4.995 -1.911 1.00 73.55 C ATOM 157 C TYR A 21 -1.294 6.258 -1.373 1.00 15.13 C ATOM 158 O TYR A 21 -0.361 6.789 -1.976 1.00 32.45 O ATOM 159 CB TYR A 21 -2.416 5.221 -3.353 1.00 61.44 C ATOM 160 CG TYR A 21 -3.091 6.556 -3.572 1.00 74.41 C ATOM 161 CD1 TYR A 21 -2.346 7.699 -3.832 1.00 2.13 C ATOM 162 CD2 TYR A 21 -4.475 6.674 -3.518 1.00 64.11 C ATOM 163 CE1 TYR A 21 -2.958 8.921 -4.031 1.00 54.14 C ATOM 164 CE2 TYR A 21 -5.096 7.891 -3.718 1.00 43.40 C ATOM 165 CZ TYR A 21 -4.333 9.012 -3.974 1.00 55.11 C ATOM 166 OH TYR A 21 -4.948 10.227 -4.172 1.00 54.14 O ATOM 0 H TYR A 21 -3.996 4.921 -1.420 1.00 64.12 H new ATOM 0 HA TYR A 21 -1.228 4.186 -1.890 1.00 73.55 H new ATOM 0 HB2 TYR A 21 -1.553 5.147 -4.015 1.00 61.44 H new ATOM 0 HB3 TYR A 21 -3.104 4.425 -3.636 1.00 61.44 H new ATOM 0 HD1 TYR A 21 -1.269 7.631 -3.879 1.00 2.13 H new ATOM 0 HD2 TYR A 21 -5.075 5.799 -3.316 1.00 64.11 H new ATOM 0 HE1 TYR A 21 -2.363 9.800 -4.230 1.00 54.14 H new ATOM 0 HE2 TYR A 21 -6.173 7.965 -3.674 1.00 43.40 H new ATOM 0 HH TYR A 21 -4.406 10.937 -3.770 1.00 54.14 H new ATOM 176 N PHE A 22 -1.783 6.735 -0.232 1.00 62.24 N ATOM 177 CA PHE A 22 -1.238 7.936 0.389 1.00 13.34 C ATOM 178 C PHE A 22 -0.395 7.582 1.611 1.00 51.11 C ATOM 179 O PHE A 22 0.623 8.219 1.881 1.00 55.45 O ATOM 180 CB PHE A 22 -2.369 8.884 0.794 1.00 53.22 C ATOM 181 CG PHE A 22 -2.550 10.038 -0.150 1.00 54.41 C ATOM 182 CD1 PHE A 22 -1.524 10.944 -0.363 1.00 2.44 C ATOM 183 CD2 PHE A 22 -3.747 10.218 -0.825 1.00 34.35 C ATOM 184 CE1 PHE A 22 -1.687 12.007 -1.231 1.00 10.52 C ATOM 185 CE2 PHE A 22 -3.916 11.279 -1.694 1.00 72.52 C ATOM 186 CZ PHE A 22 -2.885 12.175 -1.897 1.00 13.24 C ATOM 0 H PHE A 22 -2.555 6.308 0.280 1.00 62.24 H new ATOM 0 HA PHE A 22 -0.599 8.434 -0.340 1.00 13.34 H new ATOM 0 HB2 PHE A 22 -3.301 8.322 0.851 1.00 53.22 H new ATOM 0 HB3 PHE A 22 -2.168 9.270 1.793 1.00 53.22 H new ATOM 0 HD1 PHE A 22 -0.585 10.818 0.156 1.00 2.44 H new ATOM 0 HD2 PHE A 22 -4.557 9.521 -0.670 1.00 34.35 H new ATOM 0 HE1 PHE A 22 -0.878 12.705 -1.388 1.00 10.52 H new ATOM 0 HE2 PHE A 22 -4.854 11.407 -2.214 1.00 72.52 H new ATOM 0 HZ PHE A 22 -3.015 13.005 -2.575 1.00 13.24 H new ATOM 196 N GLN A 23 -0.827 6.562 2.345 1.00 13.12 N ATOM 197 CA GLN A 23 -0.113 6.124 3.539 1.00 52.04 C ATOM 198 C GLN A 23 1.248 5.541 3.175 1.00 43.00 C ATOM 199 O GLN A 23 2.267 5.902 3.764 1.00 75.23 O ATOM 200 CB GLN A 23 -0.939 5.086 4.300 1.00 21.33 C ATOM 201 CG GLN A 23 -2.283 5.610 4.779 1.00 73.51 C ATOM 202 CD GLN A 23 -2.147 6.690 5.833 1.00 2.23 C ATOM 203 OE1 GLN A 23 -1.691 7.798 5.548 1.00 30.11 O ATOM 204 NE2 GLN A 23 -2.542 6.373 7.061 1.00 52.33 N ATOM 0 H GLN A 23 -1.667 6.024 2.134 1.00 13.12 H new ATOM 0 HA GLN A 23 0.043 6.993 4.178 1.00 52.04 H new ATOM 0 HB2 GLN A 23 -1.104 4.222 3.656 1.00 21.33 H new ATOM 0 HB3 GLN A 23 -0.367 4.738 5.160 1.00 21.33 H new ATOM 0 HG2 GLN A 23 -2.838 6.006 3.929 1.00 73.51 H new ATOM 0 HG3 GLN A 23 -2.867 4.784 5.184 1.00 73.51 H new ATOM 0 HE21 GLN A 23 -2.914 5.443 7.253 1.00 52.33 H new ATOM 0 HE22 GLN A 23 -2.473 7.060 7.812 1.00 52.33 H new ATOM 213 N GLY A 24 1.258 4.637 2.200 1.00 24.54 N ATOM 214 CA GLY A 24 2.500 4.018 1.776 1.00 64.45 C ATOM 215 C GLY A 24 3.634 5.017 1.653 1.00 32.33 C ATOM 216 O GLY A 24 4.792 4.685 1.903 1.00 22.22 O ATOM 0 H GLY A 24 0.429 4.323 1.697 1.00 24.54 H new ATOM 0 HA2 GLY A 24 2.778 3.243 2.490 1.00 64.45 H new ATOM 0 HA3 GLY A 24 2.348 3.526 0.815 1.00 64.45 H new ATOM 220 N ALA A 25 3.300 6.243 1.266 1.00 1.42 N ATOM 221 CA ALA A 25 4.299 7.294 1.111 1.00 33.15 C ATOM 222 C ALA A 25 5.100 7.482 2.395 1.00 44.52 C ATOM 223 O ALA A 25 6.327 7.388 2.391 1.00 64.43 O ATOM 224 CB ALA A 25 3.632 8.600 0.706 1.00 1.35 C ATOM 0 H ALA A 25 2.346 6.534 1.054 1.00 1.42 H new ATOM 0 HA ALA A 25 4.990 6.993 0.323 1.00 33.15 H new ATOM 0 HB1 ALA A 25 4.389 9.376 0.594 1.00 1.35 H new ATOM 0 HB2 ALA A 25 3.109 8.463 -0.241 1.00 1.35 H new ATOM 0 HB3 ALA A 25 2.919 8.898 1.474 1.00 1.35 H new ATOM 230 N MET A 26 4.399 7.751 3.491 1.00 31.43 N ATOM 231 CA MET A 26 5.047 7.952 4.782 1.00 14.12 C ATOM 232 C MET A 26 5.617 6.641 5.315 1.00 43.55 C ATOM 233 O MET A 26 6.329 6.626 6.319 1.00 75.13 O ATOM 234 CB MET A 26 4.054 8.536 5.789 1.00 31.04 C ATOM 235 CG MET A 26 2.758 7.748 5.892 1.00 51.22 C ATOM 236 SD MET A 26 1.690 8.338 7.220 1.00 70.34 S ATOM 237 CE MET A 26 1.246 9.959 6.602 1.00 12.33 C ATOM 0 H MET A 26 3.383 7.835 3.511 1.00 31.43 H new ATOM 0 HA MET A 26 5.869 8.655 4.642 1.00 14.12 H new ATOM 0 HB2 MET A 26 4.525 8.574 6.771 1.00 31.04 H new ATOM 0 HB3 MET A 26 3.824 9.563 5.506 1.00 31.04 H new ATOM 0 HG2 MET A 26 2.222 7.812 4.945 1.00 51.22 H new ATOM 0 HG3 MET A 26 2.989 6.696 6.057 1.00 51.22 H new ATOM 0 HE1 MET A 26 0.416 10.357 7.187 1.00 12.33 H new ATOM 0 HE2 MET A 26 2.103 10.628 6.686 1.00 12.33 H new ATOM 0 HE3 MET A 26 0.948 9.881 5.556 1.00 12.33 H new ATOM 247 N ALA A 27 5.300 5.544 4.635 1.00 5.02 N ATOM 248 CA ALA A 27 5.783 4.229 5.039 1.00 3.43 C ATOM 249 C ALA A 27 7.223 4.010 4.586 1.00 13.11 C ATOM 250 O ALA A 27 7.913 3.122 5.087 1.00 43.24 O ATOM 251 CB ALA A 27 4.880 3.140 4.480 1.00 40.44 C ATOM 0 H ALA A 27 4.711 5.540 3.802 1.00 5.02 H new ATOM 0 HA ALA A 27 5.761 4.180 6.128 1.00 3.43 H new ATOM 0 HB1 ALA A 27 5.253 2.164 4.790 1.00 40.44 H new ATOM 0 HB2 ALA A 27 3.867 3.278 4.858 1.00 40.44 H new ATOM 0 HB3 ALA A 27 4.872 3.197 3.392 1.00 40.44 H new ATOM 257 N PHE A 28 7.669 4.824 3.635 1.00 4.24 N ATOM 258 CA PHE A 28 9.027 4.718 3.113 1.00 31.24 C ATOM 259 C PHE A 28 10.017 5.441 4.021 1.00 0.34 C ATOM 260 O PHE A 28 11.182 5.623 3.668 1.00 62.54 O ATOM 261 CB PHE A 28 9.099 5.296 1.699 1.00 74.25 C ATOM 262 CG PHE A 28 8.089 4.703 0.757 1.00 4.41 C ATOM 263 CD1 PHE A 28 8.128 3.356 0.438 1.00 74.32 C ATOM 264 CD2 PHE A 28 7.103 5.495 0.191 1.00 73.51 C ATOM 265 CE1 PHE A 28 7.200 2.807 -0.428 1.00 1.30 C ATOM 266 CE2 PHE A 28 6.172 4.952 -0.675 1.00 64.41 C ATOM 267 CZ PHE A 28 6.222 3.607 -0.986 1.00 32.31 C ATOM 0 H PHE A 28 7.110 5.564 3.210 1.00 4.24 H new ATOM 0 HA PHE A 28 9.295 3.662 3.081 1.00 31.24 H new ATOM 0 HB2 PHE A 28 8.949 6.375 1.748 1.00 74.25 H new ATOM 0 HB3 PHE A 28 10.099 5.131 1.298 1.00 74.25 H new ATOM 0 HD1 PHE A 28 8.892 2.727 0.871 1.00 74.32 H new ATOM 0 HD2 PHE A 28 7.061 6.548 0.429 1.00 73.51 H new ATOM 0 HE1 PHE A 28 7.240 1.755 -0.668 1.00 1.30 H new ATOM 0 HE2 PHE A 28 5.406 5.579 -1.108 1.00 64.41 H new ATOM 0 HZ PHE A 28 5.497 3.182 -1.665 1.00 32.31 H new ATOM 277 N ASP A 29 9.544 5.853 5.193 1.00 64.13 N ATOM 278 CA ASP A 29 10.387 6.556 6.153 1.00 41.43 C ATOM 279 C ASP A 29 10.999 5.582 7.154 1.00 5.44 C ATOM 280 O ASP A 29 12.164 5.203 7.035 1.00 54.04 O ATOM 281 CB ASP A 29 9.576 7.623 6.890 1.00 10.00 C ATOM 282 CG ASP A 29 9.647 8.977 6.211 1.00 23.23 C ATOM 283 OD1 ASP A 29 9.932 9.017 4.996 1.00 50.22 O ATOM 284 OD2 ASP A 29 9.418 9.996 6.895 1.00 33.23 O ATOM 0 H ASP A 29 8.582 5.712 5.501 1.00 64.13 H new ATOM 0 HA ASP A 29 11.195 7.040 5.604 1.00 41.43 H new ATOM 0 HB2 ASP A 29 8.535 7.305 6.952 1.00 10.00 H new ATOM 0 HB3 ASP A 29 9.944 7.713 7.912 1.00 10.00 H new ATOM 289 N GLY A 30 10.206 5.182 8.144 1.00 44.12 N ATOM 290 CA GLY A 30 10.688 4.257 9.153 1.00 44.02 C ATOM 291 C GLY A 30 9.713 3.128 9.417 1.00 34.33 C ATOM 292 O GLY A 30 9.901 2.341 10.345 1.00 41.14 O ATOM 0 H GLY A 30 9.239 5.482 8.265 1.00 44.12 H new ATOM 0 HA2 GLY A 30 11.643 3.841 8.833 1.00 44.02 H new ATOM 0 HA3 GLY A 30 10.871 4.799 10.081 1.00 44.02 H new ATOM 296 N GLU A 31 8.666 3.048 8.601 1.00 0.43 N ATOM 297 CA GLU A 31 7.656 2.008 8.754 1.00 11.04 C ATOM 298 C GLU A 31 8.269 0.623 8.570 1.00 22.10 C ATOM 299 O GLU A 31 9.266 0.463 7.866 1.00 24.40 O ATOM 300 CB GLU A 31 6.523 2.214 7.747 1.00 13.22 C ATOM 301 CG GLU A 31 5.942 0.917 7.211 1.00 73.24 C ATOM 302 CD GLU A 31 6.745 0.352 6.055 1.00 21.44 C ATOM 303 OE1 GLU A 31 6.631 0.889 4.934 1.00 64.30 O ATOM 304 OE2 GLU A 31 7.488 -0.628 6.274 1.00 62.33 O ATOM 0 H GLU A 31 8.496 3.691 7.828 1.00 0.43 H new ATOM 0 HA GLU A 31 7.252 2.076 9.764 1.00 11.04 H new ATOM 0 HB2 GLU A 31 5.728 2.790 8.220 1.00 13.22 H new ATOM 0 HB3 GLU A 31 6.894 2.809 6.912 1.00 13.22 H new ATOM 0 HG2 GLU A 31 5.902 0.182 8.015 1.00 73.24 H new ATOM 0 HG3 GLU A 31 4.916 1.090 6.886 1.00 73.24 H new ATOM 311 N ASP A 32 7.666 -0.374 9.208 1.00 62.10 N ATOM 312 CA ASP A 32 8.152 -1.746 9.115 1.00 73.13 C ATOM 313 C ASP A 32 7.115 -2.645 8.449 1.00 33.40 C ATOM 314 O ASP A 32 6.167 -2.163 7.830 1.00 1.42 O ATOM 315 CB ASP A 32 8.494 -2.284 10.505 1.00 63.01 C ATOM 316 CG ASP A 32 9.925 -2.777 10.599 1.00 51.24 C ATOM 317 OD1 ASP A 32 10.301 -3.662 9.802 1.00 45.23 O ATOM 318 OD2 ASP A 32 10.668 -2.277 11.468 1.00 4.23 O ATOM 0 H ASP A 32 6.840 -0.258 9.795 1.00 62.10 H new ATOM 0 HA ASP A 32 9.054 -1.745 8.503 1.00 73.13 H new ATOM 0 HB2 ASP A 32 8.334 -1.500 11.245 1.00 63.01 H new ATOM 0 HB3 ASP A 32 7.815 -3.100 10.753 1.00 63.01 H new ATOM 323 N GLU A 33 7.303 -3.955 8.580 1.00 12.13 N ATOM 324 CA GLU A 33 6.384 -4.921 7.989 1.00 1.14 C ATOM 325 C GLU A 33 5.655 -5.711 9.072 1.00 22.33 C ATOM 326 O GLU A 33 6.274 -6.442 9.846 1.00 71.21 O ATOM 327 CB GLU A 33 7.140 -5.878 7.066 1.00 62.04 C ATOM 328 CG GLU A 33 8.308 -6.578 7.739 1.00 23.41 C ATOM 329 CD GLU A 33 9.194 -7.316 6.753 1.00 14.42 C ATOM 330 OE1 GLU A 33 8.904 -8.495 6.462 1.00 45.22 O ATOM 331 OE2 GLU A 33 10.176 -6.712 6.273 1.00 60.22 O ATOM 0 H GLU A 33 8.083 -4.371 9.090 1.00 12.13 H new ATOM 0 HA GLU A 33 5.646 -4.372 7.405 1.00 1.14 H new ATOM 0 HB2 GLU A 33 6.446 -6.629 6.688 1.00 62.04 H new ATOM 0 HB3 GLU A 33 7.508 -5.322 6.204 1.00 62.04 H new ATOM 0 HG2 GLU A 33 8.905 -5.843 8.278 1.00 23.41 H new ATOM 0 HG3 GLU A 33 7.927 -7.283 8.478 1.00 23.41 H new ATOM 338 N VAL A 34 4.336 -5.559 9.121 1.00 14.52 N ATOM 339 CA VAL A 34 3.521 -6.258 10.108 1.00 1.40 C ATOM 340 C VAL A 34 3.365 -7.731 9.748 1.00 51.44 C ATOM 341 O VAL A 34 3.686 -8.147 8.634 1.00 43.10 O ATOM 342 CB VAL A 34 2.125 -5.621 10.236 1.00 55.33 C ATOM 343 CG1 VAL A 34 1.406 -6.152 11.467 1.00 52.14 C ATOM 344 CG2 VAL A 34 2.233 -4.104 10.285 1.00 65.22 C ATOM 0 H VAL A 34 3.808 -4.958 8.488 1.00 14.52 H new ATOM 0 HA VAL A 34 4.039 -6.174 11.063 1.00 1.40 H new ATOM 0 HB VAL A 34 1.540 -5.892 9.357 1.00 55.33 H new ATOM 0 HG11 VAL A 34 0.421 -5.690 11.541 1.00 52.14 H new ATOM 0 HG12 VAL A 34 1.295 -7.233 11.385 1.00 52.14 H new ATOM 0 HG13 VAL A 34 1.986 -5.913 12.358 1.00 52.14 H new ATOM 0 HG21 VAL A 34 1.237 -3.671 10.376 1.00 65.22 H new ATOM 0 HG22 VAL A 34 2.836 -3.810 11.144 1.00 65.22 H new ATOM 0 HG23 VAL A 34 2.704 -3.743 9.371 1.00 65.22 H new ATOM 354 N THR A 35 2.868 -8.517 10.697 1.00 22.33 N ATOM 355 CA THR A 35 2.669 -9.945 10.481 1.00 44.31 C ATOM 356 C THR A 35 1.243 -10.239 10.032 1.00 72.32 C ATOM 357 O THR A 35 1.021 -11.020 9.107 1.00 24.34 O ATOM 358 CB THR A 35 2.971 -10.754 11.757 1.00 44.35 C ATOM 359 OG1 THR A 35 2.072 -10.372 12.803 1.00 33.01 O ATOM 360 CG2 THR A 35 4.407 -10.534 12.210 1.00 52.05 C ATOM 0 H THR A 35 2.596 -8.189 11.624 1.00 22.33 H new ATOM 0 HA THR A 35 3.363 -10.246 9.697 1.00 44.31 H new ATOM 0 HB THR A 35 2.836 -11.812 11.531 1.00 44.35 H new ATOM 0 HG1 THR A 35 1.918 -11.136 13.397 1.00 33.01 H new ATOM 0 HG21 THR A 35 4.597 -11.115 13.112 1.00 52.05 H new ATOM 0 HG22 THR A 35 5.090 -10.853 11.423 1.00 52.05 H new ATOM 0 HG23 THR A 35 4.564 -9.476 12.420 1.00 52.05 H new ATOM 368 N GLY A 36 0.277 -9.608 10.692 1.00 32.15 N ATOM 369 CA GLY A 36 -1.117 -9.816 10.346 1.00 50.21 C ATOM 370 C GLY A 36 -2.062 -9.311 11.418 1.00 34.40 C ATOM 371 O GLY A 36 -2.875 -8.415 11.188 1.00 23.20 O ATOM 0 H GLY A 36 0.435 -8.956 11.460 1.00 32.15 H new ATOM 0 HA2 GLY A 36 -1.334 -9.309 9.406 1.00 50.21 H new ATOM 0 HA3 GLY A 36 -1.293 -10.879 10.183 1.00 50.21 H new ATOM 375 N PRO A 37 -1.964 -9.895 12.622 1.00 60.24 N ATOM 376 CA PRO A 37 -2.810 -9.516 13.757 1.00 74.21 C ATOM 377 C PRO A 37 -2.474 -8.129 14.293 1.00 23.24 C ATOM 378 O PRO A 37 -1.382 -7.611 14.059 1.00 2.13 O ATOM 379 CB PRO A 37 -2.497 -10.586 14.806 1.00 43.01 C ATOM 380 CG PRO A 37 -1.127 -11.062 14.464 1.00 40.40 C ATOM 381 CD PRO A 37 -1.018 -10.970 12.967 1.00 54.10 C ATOM 0 HA PRO A 37 -3.863 -9.466 13.481 1.00 74.21 H new ATOM 0 HB2 PRO A 37 -2.533 -10.174 15.815 1.00 43.01 H new ATOM 0 HB3 PRO A 37 -3.220 -11.401 14.769 1.00 43.01 H new ATOM 0 HG2 PRO A 37 -0.368 -10.448 14.949 1.00 40.40 H new ATOM 0 HG3 PRO A 37 -0.973 -12.086 14.804 1.00 40.40 H new ATOM 0 HD2 PRO A 37 -0.003 -10.728 12.652 1.00 54.10 H new ATOM 0 HD3 PRO A 37 -1.286 -11.911 12.486 1.00 54.10 H new ATOM 389 N ASP A 38 -3.418 -7.534 15.014 1.00 45.41 N ATOM 390 CA ASP A 38 -3.220 -6.206 15.585 1.00 30.53 C ATOM 391 C ASP A 38 -2.111 -6.225 16.633 1.00 70.34 C ATOM 392 O ASP A 38 -1.452 -5.214 16.871 1.00 43.01 O ATOM 393 CB ASP A 38 -4.520 -5.698 16.210 1.00 32.33 C ATOM 394 CG ASP A 38 -4.280 -4.627 17.256 1.00 60.20 C ATOM 395 OD1 ASP A 38 -3.672 -3.591 16.915 1.00 72.32 O ATOM 396 OD2 ASP A 38 -4.699 -4.825 18.416 1.00 61.41 O ATOM 0 H ASP A 38 -4.327 -7.949 15.217 1.00 45.41 H new ATOM 0 HA ASP A 38 -2.924 -5.532 14.781 1.00 30.53 H new ATOM 0 HB2 ASP A 38 -5.164 -5.299 15.427 1.00 32.33 H new ATOM 0 HB3 ASP A 38 -5.052 -6.534 16.665 1.00 32.33 H new ATOM 401 N ALA A 39 -1.912 -7.382 17.256 1.00 71.24 N ATOM 402 CA ALA A 39 -0.883 -7.533 18.277 1.00 42.14 C ATOM 403 C ALA A 39 0.496 -7.198 17.719 1.00 5.43 C ATOM 404 O ALA A 39 1.336 -6.626 18.416 1.00 54.14 O ATOM 405 CB ALA A 39 -0.898 -8.948 18.837 1.00 52.52 C ATOM 0 H ALA A 39 -2.450 -8.229 17.071 1.00 71.24 H new ATOM 0 HA ALA A 39 -1.101 -6.833 19.083 1.00 42.14 H new ATOM 0 HB1 ALA A 39 -0.124 -9.046 19.598 1.00 52.52 H new ATOM 0 HB2 ALA A 39 -1.872 -9.153 19.281 1.00 52.52 H new ATOM 0 HB3 ALA A 39 -0.708 -9.659 18.033 1.00 52.52 H new ATOM 411 N ASP A 40 0.724 -7.557 16.461 1.00 23.20 N ATOM 412 CA ASP A 40 2.002 -7.294 15.810 1.00 4.10 C ATOM 413 C ASP A 40 2.032 -5.887 15.220 1.00 23.33 C ATOM 414 O ASP A 40 3.062 -5.213 15.250 1.00 51.00 O ATOM 415 CB ASP A 40 2.262 -8.326 14.712 1.00 71.42 C ATOM 416 CG ASP A 40 3.303 -9.351 15.115 1.00 25.43 C ATOM 417 OD1 ASP A 40 4.495 -8.986 15.198 1.00 20.13 O ATOM 418 OD2 ASP A 40 2.927 -10.519 15.349 1.00 40.20 O ATOM 0 H ASP A 40 0.040 -8.031 15.871 1.00 23.20 H new ATOM 0 HA ASP A 40 2.787 -7.370 16.562 1.00 4.10 H new ATOM 0 HB2 ASP A 40 1.330 -8.836 14.469 1.00 71.42 H new ATOM 0 HB3 ASP A 40 2.591 -7.815 13.807 1.00 71.42 H new ATOM 423 N ARG A 41 0.897 -5.452 14.684 1.00 10.32 N ATOM 424 CA ARG A 41 0.794 -4.126 14.085 1.00 31.44 C ATOM 425 C ARG A 41 0.858 -3.040 15.155 1.00 22.00 C ATOM 426 O ARG A 41 1.568 -2.046 15.002 1.00 34.13 O ATOM 427 CB ARG A 41 -0.509 -4.001 13.294 1.00 71.12 C ATOM 428 CG ARG A 41 -1.646 -3.377 14.087 1.00 61.23 C ATOM 429 CD ARG A 41 -2.885 -3.185 13.226 1.00 10.35 C ATOM 430 NE ARG A 41 -3.727 -4.378 13.205 1.00 51.31 N ATOM 431 CZ ARG A 41 -3.594 -5.355 12.315 1.00 21.34 C ATOM 432 NH1 ARG A 41 -2.657 -5.282 11.380 1.00 1.02 N ATOM 433 NH2 ARG A 41 -4.399 -6.409 12.361 1.00 63.33 N ATOM 0 H ARG A 41 0.036 -5.998 14.652 1.00 10.32 H new ATOM 0 HA ARG A 41 1.637 -3.994 13.407 1.00 31.44 H new ATOM 0 HB2 ARG A 41 -0.327 -3.401 12.403 1.00 71.12 H new ATOM 0 HB3 ARG A 41 -0.814 -4.991 12.955 1.00 71.12 H new ATOM 0 HG2 ARG A 41 -1.888 -4.012 14.939 1.00 61.23 H new ATOM 0 HG3 ARG A 41 -1.327 -2.415 14.487 1.00 61.23 H new ATOM 0 HD2 ARG A 41 -3.462 -2.341 13.604 1.00 10.35 H new ATOM 0 HD3 ARG A 41 -2.584 -2.936 12.208 1.00 10.35 H new ATOM 0 HE ARG A 41 -4.457 -4.466 13.912 1.00 51.31 H new ATOM 0 HH11 ARG A 41 -2.036 -4.474 11.343 1.00 1.02 H new ATOM 0 HH12 ARG A 41 -2.557 -6.034 10.698 1.00 1.02 H new ATOM 0 HH21 ARG A 41 -5.120 -6.469 13.080 1.00 63.33 H new ATOM 0 HH22 ARG A 41 -4.297 -7.159 11.677 1.00 63.33 H new ATOM 447 N ALA A 42 0.112 -3.237 16.237 1.00 61.20 N ATOM 448 CA ALA A 42 0.085 -2.276 17.332 1.00 5.32 C ATOM 449 C ALA A 42 1.419 -2.248 18.071 1.00 44.45 C ATOM 450 O ALA A 42 1.869 -1.193 18.520 1.00 72.21 O ATOM 451 CB ALA A 42 -1.046 -2.604 18.295 1.00 51.40 C ATOM 0 H ALA A 42 -0.482 -4.054 16.378 1.00 61.20 H new ATOM 0 HA ALA A 42 -0.088 -1.286 16.909 1.00 5.32 H new ATOM 0 HB1 ALA A 42 -1.054 -1.878 19.108 1.00 51.40 H new ATOM 0 HB2 ALA A 42 -1.998 -2.566 17.765 1.00 51.40 H new ATOM 0 HB3 ALA A 42 -0.898 -3.604 18.703 1.00 51.40 H new ATOM 457 N ARG A 43 2.047 -3.412 18.193 1.00 64.52 N ATOM 458 CA ARG A 43 3.329 -3.521 18.879 1.00 63.03 C ATOM 459 C ARG A 43 4.471 -3.073 17.971 1.00 23.31 C ATOM 460 O ARG A 43 5.393 -2.385 18.410 1.00 75.35 O ATOM 461 CB ARG A 43 3.565 -4.960 19.340 1.00 33.50 C ATOM 462 CG ARG A 43 4.116 -5.867 18.251 1.00 0.53 C ATOM 463 CD ARG A 43 4.178 -7.315 18.710 1.00 11.03 C ATOM 464 NE ARG A 43 5.328 -8.018 18.149 1.00 62.30 N ATOM 465 CZ ARG A 43 5.544 -9.319 18.310 1.00 63.13 C ATOM 466 NH1 ARG A 43 4.693 -10.054 19.011 1.00 75.30 N ATOM 467 NH2 ARG A 43 6.614 -9.887 17.768 1.00 62.01 N ATOM 0 H ARG A 43 1.689 -4.294 17.826 1.00 64.52 H new ATOM 0 HA ARG A 43 3.302 -2.867 19.751 1.00 63.03 H new ATOM 0 HB2 ARG A 43 4.258 -4.954 20.181 1.00 33.50 H new ATOM 0 HB3 ARG A 43 2.625 -5.374 19.705 1.00 33.50 H new ATOM 0 HG2 ARG A 43 3.489 -5.792 17.362 1.00 0.53 H new ATOM 0 HG3 ARG A 43 5.113 -5.531 17.967 1.00 0.53 H new ATOM 0 HD2 ARG A 43 4.228 -7.348 19.798 1.00 11.03 H new ATOM 0 HD3 ARG A 43 3.262 -7.828 18.417 1.00 11.03 H new ATOM 0 HE ARG A 43 6.002 -7.481 17.604 1.00 62.30 H new ATOM 0 HH11 ARG A 43 3.869 -9.621 19.429 1.00 75.30 H new ATOM 0 HH12 ARG A 43 4.862 -11.053 19.133 1.00 75.30 H new ATOM 0 HH21 ARG A 43 7.271 -9.325 17.227 1.00 62.01 H new ATOM 0 HH22 ARG A 43 6.779 -10.886 17.892 1.00 62.01 H new ATOM 481 N ALA A 44 4.403 -3.469 16.704 1.00 24.22 N ATOM 482 CA ALA A 44 5.430 -3.108 15.735 1.00 41.32 C ATOM 483 C ALA A 44 5.302 -1.646 15.319 1.00 25.13 C ATOM 484 O ALA A 44 6.208 -0.845 15.547 1.00 3.11 O ATOM 485 CB ALA A 44 5.347 -4.014 14.516 1.00 64.24 C ATOM 0 H ALA A 44 3.647 -4.040 16.325 1.00 24.22 H new ATOM 0 HA ALA A 44 6.403 -3.241 16.207 1.00 41.32 H new ATOM 0 HB1 ALA A 44 6.120 -3.733 13.801 1.00 64.24 H new ATOM 0 HB2 ALA A 44 5.495 -5.050 14.822 1.00 64.24 H new ATOM 0 HB3 ALA A 44 4.367 -3.909 14.051 1.00 64.24 H new ATOM 491 N ALA A 45 4.172 -1.306 14.708 1.00 4.01 N ATOM 492 CA ALA A 45 3.926 0.060 14.262 1.00 23.30 C ATOM 493 C ALA A 45 4.110 1.052 15.405 1.00 3.21 C ATOM 494 O ALA A 45 4.303 2.246 15.178 1.00 42.11 O ATOM 495 CB ALA A 45 2.527 0.180 13.677 1.00 60.44 C ATOM 0 H ALA A 45 3.412 -1.958 14.511 1.00 4.01 H new ATOM 0 HA ALA A 45 4.654 0.300 13.487 1.00 23.30 H new ATOM 0 HB1 ALA A 45 2.357 1.205 13.348 1.00 60.44 H new ATOM 0 HB2 ALA A 45 2.429 -0.495 12.827 1.00 60.44 H new ATOM 0 HB3 ALA A 45 1.791 -0.084 14.437 1.00 60.44 H new ATOM 501 N ALA A 46 4.049 0.550 16.634 1.00 13.21 N ATOM 502 CA ALA A 46 4.210 1.393 17.812 1.00 31.14 C ATOM 503 C ALA A 46 5.524 2.164 17.760 1.00 4.11 C ATOM 504 O ALA A 46 5.533 3.389 17.634 1.00 71.32 O ATOM 505 CB ALA A 46 4.140 0.550 19.077 1.00 1.44 C ATOM 0 H ALA A 46 3.889 -0.436 16.840 1.00 13.21 H new ATOM 0 HA ALA A 46 3.395 2.117 17.825 1.00 31.14 H new ATOM 0 HB1 ALA A 46 4.262 1.192 19.949 1.00 1.44 H new ATOM 0 HB2 ALA A 46 3.173 0.049 19.127 1.00 1.44 H new ATOM 0 HB3 ALA A 46 4.935 -0.196 19.062 1.00 1.44 H new ATOM 511 N VAL A 47 6.635 1.440 17.859 1.00 74.33 N ATOM 512 CA VAL A 47 7.955 2.056 17.822 1.00 24.02 C ATOM 513 C VAL A 47 8.713 1.658 16.560 1.00 12.33 C ATOM 514 O VAL A 47 9.678 2.315 16.172 1.00 43.02 O ATOM 515 CB VAL A 47 8.792 1.664 19.055 1.00 51.13 C ATOM 516 CG1 VAL A 47 9.383 0.274 18.879 1.00 31.40 C ATOM 517 CG2 VAL A 47 9.887 2.690 19.303 1.00 0.41 C ATOM 0 H VAL A 47 6.646 0.426 17.965 1.00 74.33 H new ATOM 0 HA VAL A 47 7.800 3.135 17.824 1.00 24.02 H new ATOM 0 HB VAL A 47 8.137 1.647 19.926 1.00 51.13 H new ATOM 0 HG11 VAL A 47 9.971 0.014 19.759 1.00 31.40 H new ATOM 0 HG12 VAL A 47 8.578 -0.450 18.753 1.00 31.40 H new ATOM 0 HG13 VAL A 47 10.024 0.260 17.998 1.00 31.40 H new ATOM 0 HG21 VAL A 47 10.468 2.398 20.177 1.00 0.41 H new ATOM 0 HG22 VAL A 47 10.541 2.741 18.433 1.00 0.41 H new ATOM 0 HG23 VAL A 47 9.437 3.667 19.477 1.00 0.41 H new ATOM 527 N GLN A 48 8.267 0.579 15.925 1.00 44.22 N ATOM 528 CA GLN A 48 8.904 0.094 14.706 1.00 31.10 C ATOM 529 C GLN A 48 8.495 0.939 13.504 1.00 11.55 C ATOM 530 O GLN A 48 9.252 1.078 12.544 1.00 31.12 O ATOM 531 CB GLN A 48 8.537 -1.371 14.462 1.00 1.04 C ATOM 532 CG GLN A 48 8.774 -2.266 15.668 1.00 20.10 C ATOM 533 CD GLN A 48 9.121 -3.690 15.279 1.00 51.42 C ATOM 534 OE1 GLN A 48 8.608 -4.133 14.137 1.00 12.55 O flip ATOM 535 NE2 GLN A 48 9.842 -4.384 15.996 1.00 21.11 N flip ATOM 0 H GLN A 48 7.468 0.025 16.234 1.00 44.22 H new ATOM 0 HA GLN A 48 9.983 0.175 14.834 1.00 31.10 H new ATOM 0 HB2 GLN A 48 7.487 -1.431 14.176 1.00 1.04 H new ATOM 0 HB3 GLN A 48 9.119 -1.747 13.621 1.00 1.04 H new ATOM 0 HG2 GLN A 48 9.582 -1.851 16.271 1.00 20.10 H new ATOM 0 HG3 GLN A 48 7.881 -2.271 16.293 1.00 20.10 H new ATOM 0 HE21 GLN A 48 10.215 -4.003 16.866 1.00 21.11 H new ATOM 0 HE22 GLN A 48 10.067 -5.340 15.720 1.00 21.11 H new ATOM 544 N ALA A 49 7.293 1.502 13.565 1.00 14.51 N ATOM 545 CA ALA A 49 6.784 2.336 12.483 1.00 72.32 C ATOM 546 C ALA A 49 6.741 3.804 12.894 1.00 70.44 C ATOM 547 O ALA A 49 6.476 4.681 12.072 1.00 52.20 O ATOM 548 CB ALA A 49 5.401 1.864 12.059 1.00 72.21 C ATOM 0 H ALA A 49 6.653 1.396 14.352 1.00 14.51 H new ATOM 0 HA ALA A 49 7.464 2.243 11.636 1.00 72.32 H new ATOM 0 HB1 ALA A 49 5.033 2.496 11.250 1.00 72.21 H new ATOM 0 HB2 ALA A 49 5.459 0.831 11.715 1.00 72.21 H new ATOM 0 HB3 ALA A 49 4.719 1.927 12.907 1.00 72.21 H new ATOM 554 N VAL A 50 7.003 4.064 14.171 1.00 70.14 N ATOM 555 CA VAL A 50 6.995 5.426 14.690 1.00 13.05 C ATOM 556 C VAL A 50 8.403 6.010 14.724 1.00 34.13 C ATOM 557 O VAL A 50 8.617 7.156 15.121 1.00 60.43 O ATOM 558 CB VAL A 50 6.393 5.482 16.107 1.00 3.43 C ATOM 559 CG1 VAL A 50 7.491 5.396 17.157 1.00 14.32 C ATOM 560 CG2 VAL A 50 5.571 6.749 16.286 1.00 12.55 C ATOM 0 H VAL A 50 7.223 3.349 14.865 1.00 70.14 H new ATOM 0 HA VAL A 50 6.376 6.018 14.016 1.00 13.05 H new ATOM 0 HB VAL A 50 5.731 4.626 16.237 1.00 3.43 H new ATOM 0 HG11 VAL A 50 7.047 5.437 18.152 1.00 14.32 H new ATOM 0 HG12 VAL A 50 8.034 4.458 17.040 1.00 14.32 H new ATOM 0 HG13 VAL A 50 8.180 6.231 17.032 1.00 14.32 H new ATOM 0 HG21 VAL A 50 5.153 6.772 17.292 1.00 12.55 H new ATOM 0 HG22 VAL A 50 6.209 7.620 16.138 1.00 12.55 H new ATOM 0 HG23 VAL A 50 4.761 6.763 15.556 1.00 12.55 H new ATOM 570 N PRO A 51 9.387 5.205 14.298 1.00 23.01 N ATOM 571 CA PRO A 51 10.793 5.621 14.269 1.00 73.32 C ATOM 572 C PRO A 51 11.062 6.678 13.203 1.00 25.51 C ATOM 573 O PRO A 51 11.962 7.505 13.349 1.00 75.53 O ATOM 574 CB PRO A 51 11.539 4.326 13.938 1.00 31.45 C ATOM 575 CG PRO A 51 10.542 3.488 13.214 1.00 1.32 C ATOM 576 CD PRO A 51 9.204 3.827 13.812 1.00 44.23 C ATOM 0 HA PRO A 51 11.102 6.079 15.208 1.00 73.32 H new ATOM 0 HB2 PRO A 51 12.415 4.521 13.320 1.00 31.45 H new ATOM 0 HB3 PRO A 51 11.891 3.830 14.842 1.00 31.45 H new ATOM 0 HG2 PRO A 51 10.557 3.700 12.145 1.00 1.32 H new ATOM 0 HG3 PRO A 51 10.765 2.427 13.332 1.00 1.32 H new ATOM 0 HD2 PRO A 51 8.406 3.764 13.072 1.00 44.23 H new ATOM 0 HD3 PRO A 51 8.942 3.147 14.622 1.00 44.23 H new ATOM 584 N GLY A 52 10.277 6.644 12.131 1.00 52.42 N ATOM 585 CA GLY A 52 10.447 7.605 11.056 1.00 2.05 C ATOM 586 C GLY A 52 9.782 8.934 11.356 1.00 60.21 C ATOM 587 O GLY A 52 10.412 9.986 11.262 1.00 11.43 O ATOM 0 H GLY A 52 9.526 5.969 11.987 1.00 52.42 H new ATOM 0 HA2 GLY A 52 11.511 7.766 10.881 1.00 2.05 H new ATOM 0 HA3 GLY A 52 10.032 7.194 10.136 1.00 2.05 H new ATOM 591 N GLY A 53 8.503 8.886 11.716 1.00 31.10 N ATOM 592 CA GLY A 53 7.773 10.102 12.023 1.00 74.13 C ATOM 593 C GLY A 53 6.447 9.826 12.704 1.00 72.23 C ATOM 594 O GLY A 53 6.002 10.600 13.552 1.00 51.23 O ATOM 0 H GLY A 53 7.960 8.027 11.800 1.00 31.10 H new ATOM 0 HA2 GLY A 53 8.383 10.736 12.666 1.00 74.13 H new ATOM 0 HA3 GLY A 53 7.596 10.658 11.102 1.00 74.13 H new ATOM 598 N THR A 54 5.811 8.719 12.332 1.00 62.12 N ATOM 599 CA THR A 54 4.527 8.344 12.910 1.00 21.12 C ATOM 600 C THR A 54 4.412 6.831 13.059 1.00 52.22 C ATOM 601 O THR A 54 4.985 6.076 12.275 1.00 61.53 O ATOM 602 CB THR A 54 3.354 8.855 12.053 1.00 60.03 C ATOM 603 OG1 THR A 54 3.719 10.077 11.402 1.00 13.43 O ATOM 604 CG2 THR A 54 2.116 9.079 12.908 1.00 41.41 C ATOM 0 H THR A 54 6.165 8.066 11.632 1.00 62.12 H new ATOM 0 HA THR A 54 4.476 8.808 13.895 1.00 21.12 H new ATOM 0 HB THR A 54 3.125 8.099 11.302 1.00 60.03 H new ATOM 0 HG1 THR A 54 2.968 10.395 10.858 1.00 13.43 H new ATOM 0 HG21 THR A 54 1.301 9.440 12.281 1.00 41.41 H new ATOM 0 HG22 THR A 54 1.824 8.140 13.378 1.00 41.41 H new ATOM 0 HG23 THR A 54 2.335 9.818 13.679 1.00 41.41 H new ATOM 612 N ALA A 55 3.667 6.396 14.069 1.00 34.43 N ATOM 613 CA ALA A 55 3.474 4.972 14.319 1.00 40.45 C ATOM 614 C ALA A 55 2.539 4.355 13.284 1.00 42.42 C ATOM 615 O ALA A 55 1.349 4.175 13.538 1.00 60.15 O ATOM 616 CB ALA A 55 2.930 4.751 15.722 1.00 3.32 C ATOM 0 H ALA A 55 3.187 7.009 14.728 1.00 34.43 H new ATOM 0 HA ALA A 55 4.443 4.479 14.235 1.00 40.45 H new ATOM 0 HB1 ALA A 55 2.791 3.684 15.894 1.00 3.32 H new ATOM 0 HB2 ALA A 55 3.635 5.148 16.452 1.00 3.32 H new ATOM 0 HB3 ALA A 55 1.973 5.263 15.826 1.00 3.32 H new ATOM 622 N GLY A 56 3.086 4.034 12.115 1.00 5.12 N ATOM 623 CA GLY A 56 2.286 3.442 11.059 1.00 24.44 C ATOM 624 C GLY A 56 3.050 2.396 10.271 1.00 32.20 C ATOM 625 O GLY A 56 3.829 2.729 9.379 1.00 51.01 O ATOM 0 H GLY A 56 4.069 4.174 11.881 1.00 5.12 H new ATOM 0 HA2 GLY A 56 1.396 2.987 11.493 1.00 24.44 H new ATOM 0 HA3 GLY A 56 1.946 4.226 10.382 1.00 24.44 H new ATOM 629 N GLU A 57 2.827 1.128 10.602 1.00 32.21 N ATOM 630 CA GLU A 57 3.502 0.031 9.919 1.00 23.44 C ATOM 631 C GLU A 57 2.686 -0.451 8.724 1.00 72.05 C ATOM 632 O GLU A 57 1.608 0.073 8.441 1.00 3.45 O ATOM 633 CB GLU A 57 3.744 -1.130 10.887 1.00 74.02 C ATOM 634 CG GLU A 57 4.876 -2.050 10.463 1.00 22.11 C ATOM 635 CD GLU A 57 5.574 -2.698 11.643 1.00 34.52 C ATOM 636 OE1 GLU A 57 5.974 -1.966 12.572 1.00 34.42 O ATOM 637 OE2 GLU A 57 5.719 -3.939 11.637 1.00 12.03 O ATOM 0 H GLU A 57 2.185 0.835 11.338 1.00 32.21 H new ATOM 0 HA GLU A 57 4.462 0.399 9.556 1.00 23.44 H new ATOM 0 HB2 GLU A 57 3.965 -0.728 11.876 1.00 74.02 H new ATOM 0 HB3 GLU A 57 2.828 -1.713 10.978 1.00 74.02 H new ATOM 0 HG2 GLU A 57 4.482 -2.827 9.808 1.00 22.11 H new ATOM 0 HG3 GLU A 57 5.603 -1.482 9.883 1.00 22.11 H new ATOM 644 N VAL A 58 3.208 -1.453 8.023 1.00 33.11 N ATOM 645 CA VAL A 58 2.528 -2.007 6.858 1.00 42.30 C ATOM 646 C VAL A 58 2.459 -3.528 6.933 1.00 3.22 C ATOM 647 O VAL A 58 3.485 -4.201 7.023 1.00 22.23 O ATOM 648 CB VAL A 58 3.234 -1.600 5.551 1.00 51.22 C ATOM 649 CG1 VAL A 58 2.610 -2.315 4.362 1.00 1.10 C ATOM 650 CG2 VAL A 58 3.180 -0.091 5.364 1.00 11.01 C ATOM 0 H VAL A 58 4.100 -1.898 8.242 1.00 33.11 H new ATOM 0 HA VAL A 58 1.517 -1.600 6.859 1.00 42.30 H new ATOM 0 HB VAL A 58 4.280 -1.898 5.616 1.00 51.22 H new ATOM 0 HG11 VAL A 58 3.122 -2.015 3.448 1.00 1.10 H new ATOM 0 HG12 VAL A 58 2.706 -3.393 4.494 1.00 1.10 H new ATOM 0 HG13 VAL A 58 1.555 -2.050 4.291 1.00 1.10 H new ATOM 0 HG21 VAL A 58 3.684 0.179 4.436 1.00 11.01 H new ATOM 0 HG22 VAL A 58 2.140 0.233 5.320 1.00 11.01 H new ATOM 0 HG23 VAL A 58 3.678 0.397 6.202 1.00 11.01 H new ATOM 660 N GLU A 59 1.243 -4.062 6.895 1.00 33.40 N ATOM 661 CA GLU A 59 1.041 -5.505 6.959 1.00 34.03 C ATOM 662 C GLU A 59 0.959 -6.106 5.559 1.00 55.21 C ATOM 663 O GLU A 59 0.579 -5.430 4.602 1.00 65.24 O ATOM 664 CB GLU A 59 -0.234 -5.829 7.741 1.00 72.52 C ATOM 665 CG GLU A 59 -0.378 -7.302 8.087 1.00 3.01 C ATOM 666 CD GLU A 59 -1.129 -8.080 7.025 1.00 75.41 C ATOM 667 OE1 GLU A 59 -2.106 -7.535 6.470 1.00 14.42 O ATOM 668 OE2 GLU A 59 -0.742 -9.235 6.748 1.00 4.35 O ATOM 0 H GLU A 59 0.383 -3.518 6.820 1.00 33.40 H new ATOM 0 HA GLU A 59 1.896 -5.943 7.474 1.00 34.03 H new ATOM 0 HB2 GLU A 59 -0.244 -5.246 8.662 1.00 72.52 H new ATOM 0 HB3 GLU A 59 -1.099 -5.516 7.156 1.00 72.52 H new ATOM 0 HG2 GLU A 59 0.612 -7.739 8.220 1.00 3.01 H new ATOM 0 HG3 GLU A 59 -0.899 -7.398 9.039 1.00 3.01 H new ATOM 675 N THR A 60 1.317 -7.381 5.446 1.00 23.04 N ATOM 676 CA THR A 60 1.287 -8.073 4.164 1.00 35.43 C ATOM 677 C THR A 60 0.612 -9.435 4.291 1.00 45.23 C ATOM 678 O THR A 60 1.140 -10.341 4.935 1.00 42.23 O ATOM 679 CB THR A 60 2.705 -8.266 3.596 1.00 61.32 C ATOM 680 OG1 THR A 60 2.672 -9.186 2.499 1.00 63.30 O ATOM 681 CG2 THR A 60 3.652 -8.782 4.669 1.00 45.15 C ATOM 0 H THR A 60 1.631 -7.956 6.228 1.00 23.04 H new ATOM 0 HA THR A 60 0.713 -7.448 3.480 1.00 35.43 H new ATOM 0 HB THR A 60 3.068 -7.299 3.248 1.00 61.32 H new ATOM 0 HG1 THR A 60 2.623 -8.688 1.656 1.00 63.30 H new ATOM 0 HG21 THR A 60 4.648 -8.911 4.244 1.00 45.15 H new ATOM 0 HG22 THR A 60 3.697 -8.066 5.489 1.00 45.15 H new ATOM 0 HG23 THR A 60 3.291 -9.740 5.043 1.00 45.15 H new ATOM 689 N GLU A 61 -0.556 -9.571 3.671 1.00 21.44 N ATOM 690 CA GLU A 61 -1.301 -10.824 3.716 1.00 54.12 C ATOM 691 C GLU A 61 -1.947 -11.121 2.365 1.00 10.14 C ATOM 692 O GLU A 61 -2.080 -10.236 1.519 1.00 65.20 O ATOM 693 CB GLU A 61 -2.375 -10.766 4.805 1.00 44.01 C ATOM 694 CG GLU A 61 -2.119 -11.716 5.963 1.00 62.13 C ATOM 695 CD GLU A 61 -3.142 -12.833 6.038 1.00 10.42 C ATOM 696 OE1 GLU A 61 -3.600 -13.292 4.971 1.00 25.01 O ATOM 697 OE2 GLU A 61 -3.485 -13.247 7.165 1.00 1.14 O ATOM 0 H GLU A 61 -1.006 -8.831 3.133 1.00 21.44 H new ATOM 0 HA GLU A 61 -0.600 -11.626 3.949 1.00 54.12 H new ATOM 0 HB2 GLU A 61 -2.437 -9.748 5.188 1.00 44.01 H new ATOM 0 HB3 GLU A 61 -3.343 -10.999 4.362 1.00 44.01 H new ATOM 0 HG2 GLU A 61 -1.123 -12.147 5.861 1.00 62.13 H new ATOM 0 HG3 GLU A 61 -2.130 -11.155 6.898 1.00 62.13 H new ATOM 704 N THR A 62 -2.347 -12.374 2.170 1.00 12.41 N ATOM 705 CA THR A 62 -2.977 -12.789 0.923 1.00 31.13 C ATOM 706 C THR A 62 -4.373 -13.348 1.172 1.00 32.33 C ATOM 707 O THR A 62 -4.539 -14.331 1.894 1.00 54.23 O ATOM 708 CB THR A 62 -2.133 -13.852 0.194 1.00 13.15 C ATOM 709 OG1 THR A 62 -1.169 -14.412 1.093 1.00 71.33 O ATOM 710 CG2 THR A 62 -1.423 -13.248 -1.008 1.00 10.14 C ATOM 0 H THR A 62 -2.246 -13.119 2.860 1.00 12.41 H new ATOM 0 HA THR A 62 -3.051 -11.901 0.295 1.00 31.13 H new ATOM 0 HB THR A 62 -2.802 -14.638 -0.157 1.00 13.15 H new ATOM 0 HG1 THR A 62 -0.637 -15.088 0.623 1.00 71.33 H new ATOM 0 HG21 THR A 62 -0.833 -14.017 -1.507 1.00 10.14 H new ATOM 0 HG22 THR A 62 -2.161 -12.848 -1.704 1.00 10.14 H new ATOM 0 HG23 THR A 62 -0.765 -12.445 -0.676 1.00 10.14 H new ATOM 718 N GLY A 63 -5.375 -12.716 0.569 1.00 14.34 N ATOM 719 CA GLY A 63 -6.745 -13.165 0.738 1.00 21.41 C ATOM 720 C GLY A 63 -7.211 -14.045 -0.405 1.00 32.44 C ATOM 721 O GLY A 63 -6.408 -14.475 -1.232 1.00 74.12 O ATOM 0 H GLY A 63 -5.263 -11.901 -0.034 1.00 14.34 H new ATOM 0 HA2 GLY A 63 -6.831 -13.716 1.675 1.00 21.41 H new ATOM 0 HA3 GLY A 63 -7.401 -12.298 0.816 1.00 21.41 H new ATOM 725 N GLU A 64 -8.512 -14.315 -0.449 1.00 71.21 N ATOM 726 CA GLU A 64 -9.083 -15.152 -1.498 1.00 24.30 C ATOM 727 C GLU A 64 -9.228 -14.370 -2.800 1.00 12.42 C ATOM 728 O GLU A 64 -9.281 -14.950 -3.883 1.00 43.13 O ATOM 729 CB GLU A 64 -10.445 -15.697 -1.062 1.00 45.14 C ATOM 730 CG GLU A 64 -11.057 -16.669 -2.056 1.00 75.04 C ATOM 731 CD GLU A 64 -11.704 -17.863 -1.382 1.00 31.15 C ATOM 732 OE1 GLU A 64 -12.601 -17.655 -0.538 1.00 3.01 O ATOM 733 OE2 GLU A 64 -11.313 -19.006 -1.698 1.00 21.31 O ATOM 0 H GLU A 64 -9.190 -13.967 0.229 1.00 71.21 H new ATOM 0 HA GLU A 64 -8.404 -15.987 -1.670 1.00 24.30 H new ATOM 0 HB2 GLU A 64 -10.336 -16.196 -0.099 1.00 45.14 H new ATOM 0 HB3 GLU A 64 -11.130 -14.863 -0.913 1.00 45.14 H new ATOM 0 HG2 GLU A 64 -11.802 -16.147 -2.656 1.00 75.04 H new ATOM 0 HG3 GLU A 64 -10.284 -17.018 -2.740 1.00 75.04 H new ATOM 740 N GLY A 65 -9.294 -13.047 -2.684 1.00 44.51 N ATOM 741 CA GLY A 65 -9.433 -12.205 -3.858 1.00 74.22 C ATOM 742 C GLY A 65 -8.110 -11.958 -4.555 1.00 72.45 C ATOM 743 O GLY A 65 -7.548 -12.863 -5.172 1.00 3.21 O ATOM 0 H GLY A 65 -9.254 -12.543 -1.798 1.00 44.51 H new ATOM 0 HA2 GLY A 65 -10.126 -12.673 -4.557 1.00 74.22 H new ATOM 0 HA3 GLY A 65 -9.870 -11.250 -3.567 1.00 74.22 H new ATOM 747 N ALA A 66 -7.613 -10.730 -4.460 1.00 2.34 N ATOM 748 CA ALA A 66 -6.348 -10.367 -5.086 1.00 4.21 C ATOM 749 C ALA A 66 -5.279 -10.076 -4.037 1.00 55.32 C ATOM 750 O ALA A 66 -4.374 -10.880 -3.820 1.00 30.21 O ATOM 751 CB ALA A 66 -6.536 -9.164 -5.998 1.00 52.21 C ATOM 0 H ALA A 66 -8.067 -9.969 -3.955 1.00 2.34 H new ATOM 0 HA ALA A 66 -6.012 -11.214 -5.684 1.00 4.21 H new ATOM 0 HB1 ALA A 66 -5.583 -8.904 -6.459 1.00 52.21 H new ATOM 0 HB2 ALA A 66 -7.261 -9.406 -6.775 1.00 52.21 H new ATOM 0 HB3 ALA A 66 -6.899 -8.318 -5.414 1.00 52.21 H new ATOM 757 N ALA A 67 -5.391 -8.920 -3.390 1.00 74.13 N ATOM 758 CA ALA A 67 -4.436 -8.524 -2.363 1.00 42.25 C ATOM 759 C ALA A 67 -5.082 -8.526 -0.982 1.00 42.22 C ATOM 760 O ALA A 67 -6.306 -8.509 -0.859 1.00 51.43 O ATOM 761 CB ALA A 67 -3.862 -7.150 -2.678 1.00 73.12 C ATOM 0 H ALA A 67 -6.134 -8.242 -3.559 1.00 74.13 H new ATOM 0 HA ALA A 67 -3.625 -9.252 -2.356 1.00 42.25 H new ATOM 0 HB1 ALA A 67 -3.150 -6.867 -1.903 1.00 73.12 H new ATOM 0 HB2 ALA A 67 -3.355 -7.180 -3.643 1.00 73.12 H new ATOM 0 HB3 ALA A 67 -4.669 -6.418 -2.715 1.00 73.12 H new ATOM 767 N ALA A 68 -4.251 -8.548 0.055 1.00 43.44 N ATOM 768 CA ALA A 68 -4.741 -8.551 1.427 1.00 15.51 C ATOM 769 C ALA A 68 -3.691 -8.003 2.387 1.00 24.41 C ATOM 770 O ALA A 68 -3.093 -8.752 3.161 1.00 14.34 O ATOM 771 CB ALA A 68 -5.153 -9.957 1.838 1.00 42.35 C ATOM 0 H ALA A 68 -3.235 -8.564 -0.030 1.00 43.44 H new ATOM 0 HA ALA A 68 -5.614 -7.900 1.476 1.00 15.51 H new ATOM 0 HB1 ALA A 68 -5.517 -9.944 2.865 1.00 42.35 H new ATOM 0 HB2 ALA A 68 -5.944 -10.312 1.177 1.00 42.35 H new ATOM 0 HB3 ALA A 68 -4.294 -10.624 1.766 1.00 42.35 H new ATOM 777 N TYR A 69 -3.469 -6.695 2.331 1.00 41.12 N ATOM 778 CA TYR A 69 -2.487 -6.048 3.193 1.00 33.24 C ATOM 779 C TYR A 69 -3.172 -5.165 4.232 1.00 54.13 C ATOM 780 O TYR A 69 -4.347 -4.825 4.097 1.00 60.15 O ATOM 781 CB TYR A 69 -1.515 -5.213 2.358 1.00 13.24 C ATOM 782 CG TYR A 69 -0.448 -6.034 1.671 1.00 44.40 C ATOM 783 CD1 TYR A 69 -0.779 -7.165 0.936 1.00 24.44 C ATOM 784 CD2 TYR A 69 0.893 -5.676 1.755 1.00 34.34 C ATOM 785 CE1 TYR A 69 0.194 -7.918 0.307 1.00 32.45 C ATOM 786 CE2 TYR A 69 1.872 -6.423 1.129 1.00 53.45 C ATOM 787 CZ TYR A 69 1.517 -7.543 0.406 1.00 3.02 C ATOM 788 OH TYR A 69 2.489 -8.290 -0.220 1.00 12.30 O ATOM 0 H TYR A 69 -3.956 -6.061 1.697 1.00 41.12 H new ATOM 0 HA TYR A 69 -1.930 -6.827 3.715 1.00 33.24 H new ATOM 0 HB2 TYR A 69 -2.078 -4.661 1.605 1.00 13.24 H new ATOM 0 HB3 TYR A 69 -1.036 -4.476 3.002 1.00 13.24 H new ATOM 0 HD1 TYR A 69 -1.814 -7.461 0.855 1.00 24.44 H new ATOM 0 HD2 TYR A 69 1.174 -4.799 2.319 1.00 34.34 H new ATOM 0 HE1 TYR A 69 -0.080 -8.796 -0.259 1.00 32.45 H new ATOM 0 HE2 TYR A 69 2.909 -6.132 1.205 1.00 53.45 H new ATOM 0 HH TYR A 69 3.368 -7.890 -0.052 1.00 12.30 H new ATOM 798 N GLY A 70 -2.427 -4.796 5.269 1.00 14.24 N ATOM 799 CA GLY A 70 -2.978 -3.955 6.316 1.00 12.11 C ATOM 800 C GLY A 70 -1.992 -2.910 6.799 1.00 12.22 C ATOM 801 O GLY A 70 -1.104 -3.206 7.599 1.00 74.00 O ATOM 0 H GLY A 70 -1.452 -5.064 5.403 1.00 14.24 H new ATOM 0 HA2 GLY A 70 -3.875 -3.460 5.945 1.00 12.11 H new ATOM 0 HA3 GLY A 70 -3.282 -4.579 7.156 1.00 12.11 H new ATOM 805 N VAL A 71 -2.146 -1.683 6.312 1.00 53.25 N ATOM 806 CA VAL A 71 -1.262 -0.590 6.698 1.00 41.01 C ATOM 807 C VAL A 71 -1.920 0.308 7.740 1.00 72.43 C ATOM 808 O VAL A 71 -2.969 0.903 7.489 1.00 42.13 O ATOM 809 CB VAL A 71 -0.860 0.264 5.481 1.00 52.13 C ATOM 810 CG1 VAL A 71 -2.096 0.753 4.740 1.00 25.20 C ATOM 811 CG2 VAL A 71 0.009 1.434 5.915 1.00 0.51 C ATOM 0 H VAL A 71 -2.875 -1.421 5.649 1.00 53.25 H new ATOM 0 HA VAL A 71 -0.368 -1.043 7.126 1.00 41.01 H new ATOM 0 HB VAL A 71 -0.279 -0.357 4.799 1.00 52.13 H new ATOM 0 HG11 VAL A 71 -1.792 1.355 3.883 1.00 25.20 H new ATOM 0 HG12 VAL A 71 -2.676 -0.103 4.395 1.00 25.20 H new ATOM 0 HG13 VAL A 71 -2.706 1.358 5.410 1.00 25.20 H new ATOM 0 HG21 VAL A 71 0.284 2.027 5.042 1.00 0.51 H new ATOM 0 HG22 VAL A 71 -0.544 2.057 6.617 1.00 0.51 H new ATOM 0 HG23 VAL A 71 0.911 1.058 6.397 1.00 0.51 H new ATOM 821 N LEU A 72 -1.298 0.401 8.910 1.00 72.03 N ATOM 822 CA LEU A 72 -1.823 1.227 9.991 1.00 11.24 C ATOM 823 C LEU A 72 -0.898 2.407 10.274 1.00 72.15 C ATOM 824 O LEU A 72 0.323 2.289 10.176 1.00 63.12 O ATOM 825 CB LEU A 72 -2.001 0.390 11.259 1.00 72.40 C ATOM 826 CG LEU A 72 -1.030 -0.778 11.434 1.00 71.43 C ATOM 827 CD1 LEU A 72 -1.268 -1.835 10.366 1.00 40.32 C ATOM 828 CD2 LEU A 72 0.409 -0.287 11.389 1.00 43.44 C ATOM 0 H LEU A 72 -0.430 -0.085 9.134 1.00 72.03 H new ATOM 0 HA LEU A 72 -2.793 1.615 9.679 1.00 11.24 H new ATOM 0 HB2 LEU A 72 -1.904 1.049 12.122 1.00 72.40 H new ATOM 0 HB3 LEU A 72 -3.017 -0.004 11.271 1.00 72.40 H new ATOM 0 HG LEU A 72 -1.208 -1.230 12.410 1.00 71.43 H new ATOM 0 HD11 LEU A 72 -0.568 -2.658 10.507 1.00 40.32 H new ATOM 0 HD12 LEU A 72 -2.289 -2.209 10.445 1.00 40.32 H new ATOM 0 HD13 LEU A 72 -1.118 -1.396 9.380 1.00 40.32 H new ATOM 0 HD21 LEU A 72 1.086 -1.132 11.515 1.00 43.44 H new ATOM 0 HD22 LEU A 72 0.600 0.191 10.428 1.00 43.44 H new ATOM 0 HD23 LEU A 72 0.573 0.432 12.191 1.00 43.44 H new ATOM 840 N VAL A 73 -1.489 3.544 10.626 1.00 0.31 N ATOM 841 CA VAL A 73 -0.718 4.745 10.926 1.00 12.11 C ATOM 842 C VAL A 73 -1.429 5.610 11.961 1.00 23.23 C ATOM 843 O VAL A 73 -2.576 6.013 11.768 1.00 12.23 O ATOM 844 CB VAL A 73 -0.468 5.583 9.658 1.00 32.20 C ATOM 845 CG1 VAL A 73 0.577 6.655 9.924 1.00 41.40 C ATOM 846 CG2 VAL A 73 -0.044 4.688 8.504 1.00 64.43 C ATOM 0 H VAL A 73 -2.499 3.659 10.711 1.00 0.31 H new ATOM 0 HA VAL A 73 0.239 4.414 11.329 1.00 12.11 H new ATOM 0 HB VAL A 73 -1.399 6.078 9.381 1.00 32.20 H new ATOM 0 HG11 VAL A 73 0.740 7.237 9.017 1.00 41.40 H new ATOM 0 HG12 VAL A 73 0.228 7.313 10.720 1.00 41.40 H new ATOM 0 HG13 VAL A 73 1.512 6.184 10.226 1.00 41.40 H new ATOM 0 HG21 VAL A 73 0.128 5.296 7.616 1.00 64.43 H new ATOM 0 HG22 VAL A 73 0.874 4.164 8.769 1.00 64.43 H new ATOM 0 HG23 VAL A 73 -0.830 3.962 8.299 1.00 64.43 H new ATOM 856 N THR A 74 -0.739 5.892 13.062 1.00 10.42 N ATOM 857 CA THR A 74 -1.304 6.709 14.129 1.00 24.13 C ATOM 858 C THR A 74 -0.253 7.041 15.182 1.00 24.45 C ATOM 859 O THR A 74 0.880 7.393 14.853 1.00 22.42 O ATOM 860 CB THR A 74 -2.491 6.002 14.810 1.00 64.51 C ATOM 861 OG1 THR A 74 -3.251 5.276 13.838 1.00 71.53 O ATOM 862 CG2 THR A 74 -3.388 7.007 15.515 1.00 41.40 C ATOM 0 H THR A 74 0.212 5.567 13.238 1.00 10.42 H new ATOM 0 HA THR A 74 -1.657 7.631 13.668 1.00 24.13 H new ATOM 0 HB THR A 74 -2.095 5.309 15.553 1.00 64.51 H new ATOM 0 HG1 THR A 74 -3.417 5.847 13.059 1.00 71.53 H new ATOM 0 HG21 THR A 74 -4.219 6.484 15.988 1.00 41.40 H new ATOM 0 HG22 THR A 74 -2.814 7.537 16.274 1.00 41.40 H new ATOM 0 HG23 THR A 74 -3.776 7.721 14.788 1.00 41.40 H new ATOM 870 N ARG A 75 -0.635 6.925 16.450 1.00 0.40 N ATOM 871 CA ARG A 75 0.275 7.214 17.552 1.00 62.32 C ATOM 872 C ARG A 75 0.931 5.935 18.065 1.00 75.34 C ATOM 873 O ARG A 75 0.330 4.860 18.072 1.00 52.02 O ATOM 874 CB ARG A 75 -0.473 7.908 18.691 1.00 11.31 C ATOM 875 CG ARG A 75 -1.075 9.247 18.297 1.00 2.34 C ATOM 876 CD ARG A 75 -1.662 9.969 19.500 1.00 54.21 C ATOM 877 NE ARG A 75 -3.107 9.779 19.600 1.00 1.23 N ATOM 878 CZ ARG A 75 -3.985 10.397 18.818 1.00 34.52 C ATOM 879 NH1 ARG A 75 -3.568 11.239 17.883 1.00 74.42 N ATOM 880 NH2 ARG A 75 -5.284 10.172 18.971 1.00 72.44 N ATOM 0 H ARG A 75 -1.568 6.633 16.739 1.00 0.40 H new ATOM 0 HA ARG A 75 1.055 7.879 17.181 1.00 62.32 H new ATOM 0 HB2 ARG A 75 -1.268 7.252 19.045 1.00 11.31 H new ATOM 0 HB3 ARG A 75 0.212 8.058 19.526 1.00 11.31 H new ATOM 0 HG2 ARG A 75 -0.309 9.870 17.835 1.00 2.34 H new ATOM 0 HG3 ARG A 75 -1.853 9.092 17.549 1.00 2.34 H new ATOM 0 HD2 ARG A 75 -1.185 9.605 20.410 1.00 54.21 H new ATOM 0 HD3 ARG A 75 -1.440 11.034 19.428 1.00 54.21 H new ATOM 0 HE ARG A 75 -3.461 9.137 20.309 1.00 1.23 H new ATOM 0 HH11 ARG A 75 -2.570 11.414 17.762 1.00 74.42 H new ATOM 0 HH12 ARG A 75 -4.245 11.712 17.284 1.00 74.42 H new ATOM 0 HH21 ARG A 75 -5.608 9.524 19.689 1.00 72.44 H new ATOM 0 HH22 ARG A 75 -5.958 10.647 18.370 1.00 72.44 H new ATOM 894 N PRO A 76 2.193 6.051 18.504 1.00 54.13 N ATOM 895 CA PRO A 76 2.957 4.915 19.026 1.00 31.52 C ATOM 896 C PRO A 76 2.429 4.431 20.373 1.00 43.12 C ATOM 897 O PRO A 76 3.065 3.618 21.044 1.00 45.41 O ATOM 898 CB PRO A 76 4.372 5.478 19.178 1.00 50.25 C ATOM 899 CG PRO A 76 4.179 6.946 19.345 1.00 21.12 C ATOM 900 CD PRO A 76 2.970 7.301 18.524 1.00 4.23 C ATOM 0 HA PRO A 76 2.897 4.048 18.369 1.00 31.52 H new ATOM 0 HB2 PRO A 76 4.880 5.045 20.040 1.00 50.25 H new ATOM 0 HB3 PRO A 76 4.983 5.256 18.303 1.00 50.25 H new ATOM 0 HG2 PRO A 76 4.028 7.203 20.393 1.00 21.12 H new ATOM 0 HG3 PRO A 76 5.057 7.496 19.005 1.00 21.12 H new ATOM 0 HD2 PRO A 76 2.405 8.118 18.973 1.00 4.23 H new ATOM 0 HD3 PRO A 76 3.246 7.619 17.519 1.00 4.23 H new ATOM 908 N ASP A 77 1.263 4.935 20.762 1.00 45.44 N ATOM 909 CA ASP A 77 0.649 4.553 22.028 1.00 4.50 C ATOM 910 C ASP A 77 -0.232 3.321 21.854 1.00 32.45 C ATOM 911 O ASP A 77 -1.175 3.107 22.615 1.00 1.14 O ATOM 912 CB ASP A 77 -0.177 5.712 22.588 1.00 31.04 C ATOM 913 CG ASP A 77 0.639 6.627 23.480 1.00 11.12 C ATOM 914 OD1 ASP A 77 1.546 6.124 24.176 1.00 62.23 O ATOM 915 OD2 ASP A 77 0.371 7.847 23.482 1.00 71.51 O ATOM 0 H ASP A 77 0.724 5.609 20.219 1.00 45.44 H new ATOM 0 HA ASP A 77 1.445 4.311 22.732 1.00 4.50 H new ATOM 0 HB2 ASP A 77 -0.593 6.290 21.763 1.00 31.04 H new ATOM 0 HB3 ASP A 77 -1.019 5.314 23.154 1.00 31.04 H new ATOM 920 N GLY A 78 0.081 2.512 20.846 1.00 2.24 N ATOM 921 CA GLY A 78 -0.693 1.312 20.590 1.00 23.53 C ATOM 922 C GLY A 78 -2.011 1.607 19.903 1.00 41.12 C ATOM 923 O GLY A 78 -2.706 0.694 19.455 1.00 24.13 O ATOM 0 H GLY A 78 0.857 2.667 20.202 1.00 2.24 H new ATOM 0 HA2 GLY A 78 -0.108 0.632 19.971 1.00 23.53 H new ATOM 0 HA3 GLY A 78 -0.885 0.799 21.533 1.00 23.53 H new ATOM 927 N THR A 79 -2.359 2.887 19.819 1.00 11.41 N ATOM 928 CA THR A 79 -3.604 3.301 19.184 1.00 30.02 C ATOM 929 C THR A 79 -3.368 3.736 17.742 1.00 21.43 C ATOM 930 O THR A 79 -2.887 4.840 17.488 1.00 65.33 O ATOM 931 CB THR A 79 -4.270 4.457 19.954 1.00 34.22 C ATOM 932 OG1 THR A 79 -5.373 4.975 19.202 1.00 43.44 O ATOM 933 CG2 THR A 79 -3.271 5.569 20.232 1.00 41.54 C ATOM 0 H THR A 79 -1.796 3.655 20.183 1.00 11.41 H new ATOM 0 HA THR A 79 -4.267 2.436 19.196 1.00 30.02 H new ATOM 0 HB THR A 79 -4.631 4.069 20.907 1.00 34.22 H new ATOM 0 HG1 THR A 79 -5.792 5.708 19.699 1.00 43.44 H new ATOM 0 HG21 THR A 79 -3.765 6.374 20.777 1.00 41.54 H new ATOM 0 HG22 THR A 79 -2.448 5.178 20.830 1.00 41.54 H new ATOM 0 HG23 THR A 79 -2.883 5.954 19.289 1.00 41.54 H new ATOM 941 N ARG A 80 -3.710 2.861 16.802 1.00 73.00 N ATOM 942 CA ARG A 80 -3.535 3.155 15.385 1.00 62.02 C ATOM 943 C ARG A 80 -4.696 2.598 14.566 1.00 1.12 C ATOM 944 O ARG A 80 -5.546 1.876 15.087 1.00 71.23 O ATOM 945 CB ARG A 80 -2.214 2.570 14.880 1.00 34.25 C ATOM 946 CG ARG A 80 -1.559 1.611 15.861 1.00 72.10 C ATOM 947 CD ARG A 80 -1.441 0.212 15.277 1.00 32.32 C ATOM 948 NE ARG A 80 -2.564 -0.112 14.401 1.00 63.21 N ATOM 949 CZ ARG A 80 -3.813 -0.255 14.829 1.00 0.02 C ATOM 950 NH1 ARG A 80 -4.098 -0.103 16.115 1.00 0.30 N ATOM 951 NH2 ARG A 80 -4.780 -0.550 13.970 1.00 34.13 N ATOM 0 H ARG A 80 -4.110 1.943 16.996 1.00 73.00 H new ATOM 0 HA ARG A 80 -3.515 4.238 15.265 1.00 62.02 H new ATOM 0 HB2 ARG A 80 -2.393 2.049 13.940 1.00 34.25 H new ATOM 0 HB3 ARG A 80 -1.523 3.386 14.666 1.00 34.25 H new ATOM 0 HG2 ARG A 80 -0.568 1.980 16.126 1.00 72.10 H new ATOM 0 HG3 ARG A 80 -2.143 1.575 16.781 1.00 72.10 H new ATOM 0 HD2 ARG A 80 -0.509 0.130 14.717 1.00 32.32 H new ATOM 0 HD3 ARG A 80 -1.391 -0.516 16.087 1.00 32.32 H new ATOM 0 HE ARG A 80 -2.379 -0.235 13.406 1.00 63.21 H new ATOM 0 HH11 ARG A 80 -3.357 0.124 16.778 1.00 0.30 H new ATOM 0 HH12 ARG A 80 -5.058 -0.213 16.441 1.00 0.30 H new ATOM 0 HH21 ARG A 80 -4.564 -0.667 12.980 1.00 34.13 H new ATOM 0 HH22 ARG A 80 -5.739 -0.660 14.300 1.00 34.13 H new ATOM 965 N VAL A 81 -4.725 2.940 13.282 1.00 72.31 N ATOM 966 CA VAL A 81 -5.781 2.474 12.391 1.00 71.12 C ATOM 967 C VAL A 81 -5.207 1.659 11.237 1.00 1.50 C ATOM 968 O VAL A 81 -4.500 2.191 10.381 1.00 34.22 O ATOM 969 CB VAL A 81 -6.593 3.651 11.819 1.00 13.25 C ATOM 970 CG1 VAL A 81 -7.783 3.141 11.020 1.00 10.45 C ATOM 971 CG2 VAL A 81 -7.049 4.576 12.938 1.00 42.20 C ATOM 0 H VAL A 81 -4.030 3.538 12.836 1.00 72.31 H new ATOM 0 HA VAL A 81 -6.441 1.842 12.986 1.00 71.12 H new ATOM 0 HB VAL A 81 -5.951 4.220 11.146 1.00 13.25 H new ATOM 0 HG11 VAL A 81 -8.345 3.987 10.624 1.00 10.45 H new ATOM 0 HG12 VAL A 81 -7.429 2.522 10.195 1.00 10.45 H new ATOM 0 HG13 VAL A 81 -8.429 2.548 11.668 1.00 10.45 H new ATOM 0 HG21 VAL A 81 -7.621 5.402 12.516 1.00 42.20 H new ATOM 0 HG22 VAL A 81 -7.674 4.021 13.637 1.00 42.20 H new ATOM 0 HG23 VAL A 81 -6.178 4.968 13.463 1.00 42.20 H new ATOM 981 N GLU A 82 -5.516 0.367 11.221 1.00 72.32 N ATOM 982 CA GLU A 82 -5.030 -0.521 10.171 1.00 30.33 C ATOM 983 C GLU A 82 -5.987 -0.534 8.983 1.00 42.34 C ATOM 984 O GLU A 82 -7.167 -0.852 9.125 1.00 75.21 O ATOM 985 CB GLU A 82 -4.855 -1.941 10.714 1.00 34.22 C ATOM 986 CG GLU A 82 -6.089 -2.480 11.419 1.00 54.45 C ATOM 987 CD GLU A 82 -6.196 -3.990 11.336 1.00 3.01 C ATOM 988 OE1 GLU A 82 -5.772 -4.560 10.309 1.00 54.00 O ATOM 989 OE2 GLU A 82 -6.702 -4.602 12.300 1.00 54.22 O ATOM 0 H GLU A 82 -6.100 -0.088 11.922 1.00 72.32 H new ATOM 0 HA GLU A 82 -4.064 -0.147 9.833 1.00 30.33 H new ATOM 0 HB2 GLU A 82 -4.598 -2.607 9.890 1.00 34.22 H new ATOM 0 HB3 GLU A 82 -4.015 -1.954 11.409 1.00 34.22 H new ATOM 0 HG2 GLU A 82 -6.065 -2.178 12.466 1.00 54.45 H new ATOM 0 HG3 GLU A 82 -6.979 -2.032 10.978 1.00 54.45 H new ATOM 996 N VAL A 83 -5.469 -0.184 7.810 1.00 45.24 N ATOM 997 CA VAL A 83 -6.275 -0.155 6.595 1.00 12.24 C ATOM 998 C VAL A 83 -6.032 -1.396 5.744 1.00 32.03 C ATOM 999 O VAL A 83 -4.921 -1.626 5.266 1.00 70.12 O ATOM 1000 CB VAL A 83 -5.976 1.099 5.752 1.00 3.05 C ATOM 1001 CG1 VAL A 83 -7.155 1.431 4.851 1.00 12.02 C ATOM 1002 CG2 VAL A 83 -5.634 2.277 6.653 1.00 71.33 C ATOM 0 H VAL A 83 -4.494 0.084 7.675 1.00 45.24 H new ATOM 0 HA VAL A 83 -7.319 -0.132 6.909 1.00 12.24 H new ATOM 0 HB VAL A 83 -5.113 0.893 5.119 1.00 3.05 H new ATOM 0 HG11 VAL A 83 -6.925 2.320 4.263 1.00 12.02 H new ATOM 0 HG12 VAL A 83 -7.348 0.593 4.181 1.00 12.02 H new ATOM 0 HG13 VAL A 83 -8.038 1.618 5.462 1.00 12.02 H new ATOM 0 HG21 VAL A 83 -5.426 3.155 6.041 1.00 71.33 H new ATOM 0 HG22 VAL A 83 -6.476 2.487 7.313 1.00 71.33 H new ATOM 0 HG23 VAL A 83 -4.755 2.035 7.251 1.00 71.33 H new ATOM 1012 N HIS A 84 -7.079 -2.194 5.559 1.00 51.24 N ATOM 1013 CA HIS A 84 -6.980 -3.413 4.763 1.00 1.43 C ATOM 1014 C HIS A 84 -7.102 -3.101 3.275 1.00 63.33 C ATOM 1015 O HIS A 84 -8.141 -2.630 2.811 1.00 10.33 O ATOM 1016 CB HIS A 84 -8.064 -4.407 5.179 1.00 73.34 C ATOM 1017 CG HIS A 84 -7.828 -5.797 4.673 1.00 64.01 C ATOM 1018 ND1 HIS A 84 -7.328 -6.237 3.494 1.00 5.35 N flip ATOM 1019 CD2 HIS A 84 -8.117 -6.926 5.410 1.00 20.24 C flip ATOM 1020 CE1 HIS A 84 -7.323 -7.610 3.541 1.00 12.03 C flip ATOM 1021 NE2 HIS A 84 -7.803 -8.000 4.708 1.00 1.44 N flip ATOM 0 H HIS A 84 -8.005 -2.019 5.949 1.00 51.24 H new ATOM 0 HA HIS A 84 -6.001 -3.858 4.943 1.00 1.43 H new ATOM 0 HB2 HIS A 84 -8.125 -4.431 6.267 1.00 73.34 H new ATOM 0 HB3 HIS A 84 -9.028 -4.055 4.813 1.00 73.34 H new ATOM 0 HD2 HIS A 84 -8.535 -6.931 6.406 1.00 20.24 H new ATOM 0 HE1 HIS A 84 -6.982 -8.264 2.752 1.00 12.03 H new ATOM 0 HE2 HIS A 84 -7.913 -8.966 5.015 1.00 1.44 H new ATOM 1029 N LEU A 85 -6.034 -3.367 2.531 1.00 61.15 N ATOM 1030 CA LEU A 85 -6.021 -3.115 1.094 1.00 44.23 C ATOM 1031 C LEU A 85 -6.169 -4.416 0.311 1.00 11.40 C ATOM 1032 O LEU A 85 -5.197 -5.141 0.103 1.00 25.11 O ATOM 1033 CB LEU A 85 -4.724 -2.410 0.692 1.00 40.32 C ATOM 1034 CG LEU A 85 -4.028 -1.606 1.791 1.00 32.42 C ATOM 1035 CD1 LEU A 85 -3.176 -2.518 2.661 1.00 74.23 C ATOM 1036 CD2 LEU A 85 -3.179 -0.498 1.186 1.00 73.01 C ATOM 0 H LEU A 85 -5.166 -3.757 2.899 1.00 61.15 H new ATOM 0 HA LEU A 85 -6.867 -2.471 0.856 1.00 44.23 H new ATOM 0 HB2 LEU A 85 -4.026 -3.161 0.321 1.00 40.32 H new ATOM 0 HB3 LEU A 85 -4.941 -1.739 -0.139 1.00 40.32 H new ATOM 0 HG LEU A 85 -4.792 -1.148 2.419 1.00 32.42 H new ATOM 0 HD11 LEU A 85 -2.688 -1.929 3.437 1.00 74.23 H new ATOM 0 HD12 LEU A 85 -3.809 -3.275 3.124 1.00 74.23 H new ATOM 0 HD13 LEU A 85 -2.419 -3.005 2.046 1.00 74.23 H new ATOM 0 HD21 LEU A 85 -2.692 0.063 1.983 1.00 73.01 H new ATOM 0 HD22 LEU A 85 -2.422 -0.934 0.534 1.00 73.01 H new ATOM 0 HD23 LEU A 85 -3.814 0.172 0.607 1.00 73.01 H new ATOM 1048 N ASP A 86 -7.392 -4.703 -0.122 1.00 44.11 N ATOM 1049 CA ASP A 86 -7.667 -5.915 -0.885 1.00 53.42 C ATOM 1050 C ASP A 86 -8.552 -5.609 -2.090 1.00 2.31 C ATOM 1051 O ASP A 86 -9.678 -5.135 -1.941 1.00 12.41 O ATOM 1052 CB ASP A 86 -8.340 -6.961 0.004 1.00 30.24 C ATOM 1053 CG ASP A 86 -9.621 -6.450 0.633 1.00 54.34 C ATOM 1054 OD1 ASP A 86 -10.670 -6.486 -0.044 1.00 74.35 O ATOM 1055 OD2 ASP A 86 -9.576 -6.014 1.802 1.00 44.53 O ATOM 0 H ASP A 86 -8.208 -4.113 0.042 1.00 44.11 H new ATOM 0 HA ASP A 86 -6.718 -6.312 -1.245 1.00 53.42 H new ATOM 0 HB2 ASP A 86 -8.559 -7.850 -0.588 1.00 30.24 H new ATOM 0 HB3 ASP A 86 -7.649 -7.264 0.790 1.00 30.24 H new ATOM 1060 N ARG A 87 -8.034 -5.882 -3.283 1.00 24.13 N ATOM 1061 CA ARG A 87 -8.775 -5.634 -4.513 1.00 53.11 C ATOM 1062 C ARG A 87 -10.006 -6.531 -4.596 1.00 75.52 C ATOM 1063 O ARG A 87 -10.653 -6.620 -5.640 1.00 13.20 O ATOM 1064 CB ARG A 87 -7.878 -5.866 -5.730 1.00 73.43 C ATOM 1065 CG ARG A 87 -8.142 -4.901 -6.874 1.00 62.13 C ATOM 1066 CD ARG A 87 -9.107 -5.491 -7.890 1.00 75.30 C ATOM 1067 NE ARG A 87 -9.072 -4.772 -9.161 1.00 31.42 N ATOM 1068 CZ ARG A 87 -9.738 -5.160 -10.243 1.00 11.30 C ATOM 1069 NH1 ARG A 87 -10.487 -6.253 -10.208 1.00 54.14 N ATOM 1070 NH2 ARG A 87 -9.656 -4.452 -11.363 1.00 24.53 N ATOM 0 H ARG A 87 -7.103 -6.275 -3.423 1.00 24.13 H new ATOM 0 HA ARG A 87 -9.104 -4.595 -4.506 1.00 53.11 H new ATOM 0 HB2 ARG A 87 -6.835 -5.777 -5.424 1.00 73.43 H new ATOM 0 HB3 ARG A 87 -8.020 -6.886 -6.086 1.00 73.43 H new ATOM 0 HG2 ARG A 87 -8.551 -3.971 -6.480 1.00 62.13 H new ATOM 0 HG3 ARG A 87 -7.202 -4.652 -7.366 1.00 62.13 H new ATOM 0 HD2 ARG A 87 -8.859 -6.539 -8.059 1.00 75.30 H new ATOM 0 HD3 ARG A 87 -10.119 -5.464 -7.486 1.00 75.30 H new ATOM 0 HE ARG A 87 -8.505 -3.926 -9.221 1.00 31.42 H new ATOM 0 HH11 ARG A 87 -10.553 -6.799 -9.349 1.00 54.14 H new ATOM 0 HH12 ARG A 87 -10.997 -6.548 -11.040 1.00 54.14 H new ATOM 0 HH21 ARG A 87 -9.081 -3.610 -11.393 1.00 24.53 H new ATOM 0 HH22 ARG A 87 -10.168 -4.750 -12.194 1.00 24.53 H new ATOM 1084 N ASP A 88 -10.324 -7.196 -3.490 1.00 43.52 N ATOM 1085 CA ASP A 88 -11.477 -8.086 -3.437 1.00 73.14 C ATOM 1086 C ASP A 88 -12.766 -7.294 -3.241 1.00 74.42 C ATOM 1087 O ASP A 88 -13.780 -7.837 -2.800 1.00 25.22 O ATOM 1088 CB ASP A 88 -11.312 -9.103 -2.307 1.00 62.33 C ATOM 1089 CG ASP A 88 -12.107 -10.371 -2.548 1.00 73.15 C ATOM 1090 OD1 ASP A 88 -12.504 -10.612 -3.708 1.00 42.42 O ATOM 1091 OD2 ASP A 88 -12.333 -11.123 -1.578 1.00 24.43 O ATOM 0 H ASP A 88 -9.799 -7.135 -2.618 1.00 43.52 H new ATOM 0 HA ASP A 88 -11.539 -8.617 -4.387 1.00 73.14 H new ATOM 0 HB2 ASP A 88 -10.257 -9.354 -2.200 1.00 62.33 H new ATOM 0 HB3 ASP A 88 -11.630 -8.652 -1.367 1.00 62.33 H new ATOM 1096 N PHE A 89 -12.721 -6.008 -3.571 1.00 3.10 N ATOM 1097 CA PHE A 89 -13.884 -5.140 -3.429 1.00 73.41 C ATOM 1098 C PHE A 89 -13.893 -4.461 -2.063 1.00 21.22 C ATOM 1099 O PHE A 89 -14.585 -3.464 -1.858 1.00 43.40 O ATOM 1100 CB PHE A 89 -15.172 -5.944 -3.620 1.00 33.12 C ATOM 1101 CG PHE A 89 -15.200 -6.739 -4.894 1.00 40.41 C ATOM 1102 CD1 PHE A 89 -14.719 -6.196 -6.075 1.00 24.32 C ATOM 1103 CD2 PHE A 89 -15.708 -8.028 -4.911 1.00 40.44 C ATOM 1104 CE1 PHE A 89 -14.742 -6.925 -7.249 1.00 53.12 C ATOM 1105 CE2 PHE A 89 -15.734 -8.761 -6.083 1.00 22.04 C ATOM 1106 CZ PHE A 89 -15.252 -8.209 -7.253 1.00 44.41 C ATOM 0 H PHE A 89 -11.891 -5.543 -3.939 1.00 3.10 H new ATOM 0 HA PHE A 89 -13.827 -4.369 -4.197 1.00 73.41 H new ATOM 0 HB2 PHE A 89 -15.296 -6.622 -2.776 1.00 33.12 H new ATOM 0 HB3 PHE A 89 -16.022 -5.261 -3.608 1.00 33.12 H new ATOM 0 HD1 PHE A 89 -14.322 -5.192 -6.078 1.00 24.32 H new ATOM 0 HD2 PHE A 89 -16.088 -8.465 -3.999 1.00 40.44 H new ATOM 0 HE1 PHE A 89 -14.362 -6.491 -8.162 1.00 53.12 H new ATOM 0 HE2 PHE A 89 -16.131 -9.765 -6.083 1.00 22.04 H new ATOM 0 HZ PHE A 89 -15.274 -8.780 -8.170 1.00 44.41 H new ATOM 1116 N ARG A 90 -13.120 -5.010 -1.131 1.00 42.52 N ATOM 1117 CA ARG A 90 -13.039 -4.458 0.216 1.00 32.52 C ATOM 1118 C ARG A 90 -11.627 -3.968 0.519 1.00 4.23 C ATOM 1119 O ARG A 90 -11.131 -4.121 1.636 1.00 62.33 O ATOM 1120 CB ARG A 90 -13.457 -5.510 1.246 1.00 54.31 C ATOM 1121 CG ARG A 90 -14.959 -5.579 1.470 1.00 31.02 C ATOM 1122 CD ARG A 90 -15.467 -4.359 2.222 1.00 1.14 C ATOM 1123 NE ARG A 90 -16.162 -4.725 3.453 1.00 34.03 N ATOM 1124 CZ ARG A 90 -17.392 -5.227 3.481 1.00 20.11 C ATOM 1125 NH1 ARG A 90 -18.058 -5.422 2.351 1.00 23.02 N ATOM 1126 NH2 ARG A 90 -17.958 -5.536 4.641 1.00 42.30 N ATOM 0 H ARG A 90 -12.541 -5.836 -1.284 1.00 42.52 H new ATOM 0 HA ARG A 90 -13.720 -3.609 0.276 1.00 32.52 H new ATOM 0 HB2 ARG A 90 -13.101 -6.487 0.920 1.00 54.31 H new ATOM 0 HB3 ARG A 90 -12.966 -5.293 2.195 1.00 54.31 H new ATOM 0 HG2 ARG A 90 -15.468 -5.653 0.509 1.00 31.02 H new ATOM 0 HG3 ARG A 90 -15.203 -6.481 2.031 1.00 31.02 H new ATOM 0 HD2 ARG A 90 -14.628 -3.705 2.460 1.00 1.14 H new ATOM 0 HD3 ARG A 90 -16.141 -3.792 1.580 1.00 1.14 H new ATOM 0 HE ARG A 90 -15.677 -4.588 4.340 1.00 34.03 H new ATOM 0 HH11 ARG A 90 -17.626 -5.187 1.457 1.00 23.02 H new ATOM 0 HH12 ARG A 90 -19.002 -5.808 2.375 1.00 23.02 H new ATOM 0 HH21 ARG A 90 -17.449 -5.388 5.512 1.00 42.30 H new ATOM 0 HH22 ARG A 90 -18.902 -5.921 4.661 1.00 42.30 H new ATOM 1140 N VAL A 91 -10.983 -3.377 -0.483 1.00 20.13 N ATOM 1141 CA VAL A 91 -9.628 -2.863 -0.324 1.00 22.34 C ATOM 1142 C VAL A 91 -9.588 -1.723 0.687 1.00 4.04 C ATOM 1143 O VAL A 91 -8.515 -1.240 1.052 1.00 0.34 O ATOM 1144 CB VAL A 91 -9.055 -2.367 -1.664 1.00 40.43 C ATOM 1145 CG1 VAL A 91 -10.166 -1.833 -2.555 1.00 75.54 C ATOM 1146 CG2 VAL A 91 -7.993 -1.303 -1.428 1.00 73.12 C ATOM 0 H VAL A 91 -11.378 -3.242 -1.414 1.00 20.13 H new ATOM 0 HA VAL A 91 -9.017 -3.689 0.040 1.00 22.34 H new ATOM 0 HB VAL A 91 -8.587 -3.210 -2.173 1.00 40.43 H new ATOM 0 HG11 VAL A 91 -9.742 -1.487 -3.498 1.00 75.54 H new ATOM 0 HG12 VAL A 91 -10.888 -2.626 -2.751 1.00 75.54 H new ATOM 0 HG13 VAL A 91 -10.666 -1.003 -2.056 1.00 75.54 H new ATOM 0 HG21 VAL A 91 -7.599 -0.964 -2.386 1.00 73.12 H new ATOM 0 HG22 VAL A 91 -8.435 -0.459 -0.898 1.00 73.12 H new ATOM 0 HG23 VAL A 91 -7.184 -1.723 -0.831 1.00 73.12 H new ATOM 1156 N LEU A 92 -10.763 -1.297 1.137 1.00 3.12 N ATOM 1157 CA LEU A 92 -10.863 -0.213 2.108 1.00 41.51 C ATOM 1158 C LEU A 92 -11.398 -0.723 3.442 1.00 75.34 C ATOM 1159 O LEU A 92 -12.034 0.018 4.192 1.00 44.03 O ATOM 1160 CB LEU A 92 -11.770 0.896 1.572 1.00 54.03 C ATOM 1161 CG LEU A 92 -11.244 1.667 0.360 1.00 34.05 C ATOM 1162 CD1 LEU A 92 -9.838 2.181 0.624 1.00 25.54 C ATOM 1163 CD2 LEU A 92 -11.269 0.789 -0.882 1.00 53.23 C ATOM 0 H LEU A 92 -11.660 -1.686 0.845 1.00 3.12 H new ATOM 0 HA LEU A 92 -9.863 0.190 2.269 1.00 41.51 H new ATOM 0 HB2 LEU A 92 -12.731 0.456 1.308 1.00 54.03 H new ATOM 0 HB3 LEU A 92 -11.955 1.607 2.377 1.00 54.03 H new ATOM 0 HG LEU A 92 -11.895 2.524 0.188 1.00 34.05 H new ATOM 0 HD11 LEU A 92 -9.480 2.727 -0.249 1.00 25.54 H new ATOM 0 HD12 LEU A 92 -9.850 2.846 1.488 1.00 25.54 H new ATOM 0 HD13 LEU A 92 -9.174 1.340 0.823 1.00 25.54 H new ATOM 0 HD21 LEU A 92 -10.891 1.354 -1.734 1.00 53.23 H new ATOM 0 HD22 LEU A 92 -10.641 -0.087 -0.721 1.00 53.23 H new ATOM 0 HD23 LEU A 92 -12.292 0.471 -1.082 1.00 53.23 H new ATOM 1175 N ASP A 93 -11.136 -1.993 3.731 1.00 12.02 N ATOM 1176 CA ASP A 93 -11.589 -2.602 4.976 1.00 21.43 C ATOM 1177 C ASP A 93 -10.667 -2.227 6.132 1.00 42.40 C ATOM 1178 O ASP A 93 -9.861 -3.039 6.588 1.00 35.01 O ATOM 1179 CB ASP A 93 -11.651 -4.124 4.831 1.00 12.22 C ATOM 1180 CG ASP A 93 -13.059 -4.663 4.990 1.00 71.31 C ATOM 1181 OD1 ASP A 93 -13.862 -4.025 5.702 1.00 40.34 O ATOM 1182 OD2 ASP A 93 -13.358 -5.725 4.403 1.00 2.30 O ATOM 0 H ASP A 93 -10.613 -2.620 3.120 1.00 12.02 H new ATOM 0 HA ASP A 93 -12.588 -2.224 5.194 1.00 21.43 H new ATOM 0 HB2 ASP A 93 -11.264 -4.409 3.853 1.00 12.22 H new ATOM 0 HB3 ASP A 93 -11.002 -4.584 5.577 1.00 12.22 H new ATOM 1187 N THR A 94 -10.789 -0.989 6.602 1.00 51.24 N ATOM 1188 CA THR A 94 -9.966 -0.504 7.702 1.00 23.21 C ATOM 1189 C THR A 94 -10.586 -0.857 9.049 1.00 2.54 C ATOM 1190 O THR A 94 -11.805 -0.977 9.169 1.00 44.41 O ATOM 1191 CB THR A 94 -9.766 1.021 7.625 1.00 51.31 C ATOM 1192 OG1 THR A 94 -8.647 1.410 8.430 1.00 54.33 O ATOM 1193 CG2 THR A 94 -11.014 1.755 8.093 1.00 23.34 C ATOM 0 H THR A 94 -11.451 -0.304 6.237 1.00 51.24 H new ATOM 0 HA THR A 94 -8.997 -0.994 7.611 1.00 23.21 H new ATOM 0 HB THR A 94 -9.575 1.288 6.586 1.00 51.31 H new ATOM 0 HG1 THR A 94 -8.174 0.610 8.741 1.00 54.33 H new ATOM 0 HG21 THR A 94 -10.849 2.831 8.030 1.00 23.34 H new ATOM 0 HG22 THR A 94 -11.857 1.479 7.460 1.00 23.34 H new ATOM 0 HG23 THR A 94 -11.231 1.482 9.126 1.00 23.34 H new ATOM 1201 N GLU A 95 -9.739 -1.020 10.061 1.00 61.21 N ATOM 1202 CA GLU A 95 -10.206 -1.359 11.400 1.00 22.01 C ATOM 1203 C GLU A 95 -9.307 -0.735 12.464 1.00 61.32 C ATOM 1204 O GLU A 95 -8.153 -1.126 12.645 1.00 54.13 O ATOM 1205 CB GLU A 95 -10.249 -2.878 11.580 1.00 11.11 C ATOM 1206 CG GLU A 95 -10.949 -3.320 12.854 1.00 73.10 C ATOM 1207 CD GLU A 95 -10.011 -4.005 13.828 1.00 64.51 C ATOM 1208 OE1 GLU A 95 -8.907 -3.471 14.065 1.00 72.20 O ATOM 1209 OE2 GLU A 95 -10.380 -5.077 14.353 1.00 13.41 O ATOM 0 H GLU A 95 -8.727 -0.923 9.979 1.00 61.21 H new ATOM 0 HA GLU A 95 -11.213 -0.958 11.518 1.00 22.01 H new ATOM 0 HB2 GLU A 95 -10.756 -3.323 10.724 1.00 11.11 H new ATOM 0 HB3 GLU A 95 -9.230 -3.264 11.583 1.00 11.11 H new ATOM 0 HG2 GLU A 95 -11.398 -2.452 13.337 1.00 73.10 H new ATOM 0 HG3 GLU A 95 -11.762 -4.000 12.600 1.00 73.10 H new ATOM 1216 N PRO A 96 -9.846 0.259 13.185 1.00 72.21 N ATOM 1217 CA PRO A 96 -9.111 0.958 14.243 1.00 52.42 C ATOM 1218 C PRO A 96 -8.868 0.075 15.461 1.00 30.34 C ATOM 1219 O PRO A 96 -9.811 -0.409 16.087 1.00 62.31 O ATOM 1220 CB PRO A 96 -10.034 2.125 14.604 1.00 41.11 C ATOM 1221 CG PRO A 96 -11.398 1.660 14.226 1.00 41.53 C ATOM 1222 CD PRO A 96 -11.215 0.776 13.023 1.00 15.13 C ATOM 0 HA PRO A 96 -8.119 1.267 13.914 1.00 52.42 H new ATOM 0 HB2 PRO A 96 -9.977 2.361 15.667 1.00 41.11 H new ATOM 0 HB3 PRO A 96 -9.759 3.029 14.061 1.00 41.11 H new ATOM 0 HG2 PRO A 96 -11.865 1.113 15.045 1.00 41.53 H new ATOM 0 HG3 PRO A 96 -12.048 2.504 13.995 1.00 41.53 H new ATOM 0 HD2 PRO A 96 -11.949 -0.030 13.001 1.00 15.13 H new ATOM 0 HD3 PRO A 96 -11.326 1.334 12.093 1.00 15.13 H new ATOM 1230 N ALA A 97 -7.598 -0.131 15.793 1.00 23.23 N ATOM 1231 CA ALA A 97 -7.231 -0.955 16.939 1.00 53.31 C ATOM 1232 C ALA A 97 -6.501 -0.132 17.995 1.00 34.13 C ATOM 1233 O ALA A 97 -6.088 0.999 17.739 1.00 63.34 O ATOM 1234 CB ALA A 97 -6.370 -2.127 16.492 1.00 34.03 C ATOM 0 H ALA A 97 -6.805 0.261 15.285 1.00 23.23 H new ATOM 0 HA ALA A 97 -8.147 -1.341 17.386 1.00 53.31 H new ATOM 0 HB1 ALA A 97 -6.103 -2.734 17.358 1.00 34.03 H new ATOM 0 HB2 ALA A 97 -6.926 -2.736 15.779 1.00 34.03 H new ATOM 0 HB3 ALA A 97 -5.463 -1.752 16.018 1.00 34.03 H new ATOM 1240 N ASP A 98 -6.347 -0.706 19.183 1.00 35.42 N ATOM 1241 CA ASP A 98 -5.667 -0.026 20.279 1.00 61.11 C ATOM 1242 C ASP A 98 -4.543 -0.891 20.841 1.00 42.11 C ATOM 1243 O ASP A 98 -3.941 -0.558 21.861 1.00 63.31 O ATOM 1244 CB ASP A 98 -6.662 0.323 21.387 1.00 25.22 C ATOM 1245 CG ASP A 98 -7.987 0.816 20.841 1.00 11.12 C ATOM 1246 OD1 ASP A 98 -7.973 1.620 19.886 1.00 65.22 O ATOM 1247 OD2 ASP A 98 -9.039 0.399 21.370 1.00 50.01 O ATOM 0 H ASP A 98 -6.684 -1.641 19.412 1.00 35.42 H new ATOM 0 HA ASP A 98 -5.232 0.894 19.889 1.00 61.11 H new ATOM 0 HB2 ASP A 98 -6.833 -0.556 22.008 1.00 25.22 H new ATOM 0 HB3 ASP A 98 -6.230 1.089 22.031 1.00 25.22 H new ATOM 1252 N GLY A 99 -4.266 -2.004 20.168 1.00 12.11 N ATOM 1253 CA GLY A 99 -3.216 -2.900 20.616 1.00 11.11 C ATOM 1254 C GLY A 99 -3.707 -3.900 21.644 1.00 3.22 C ATOM 1255 O GLY A 99 -3.067 -4.926 21.876 1.00 34.04 O ATOM 0 H GLY A 99 -4.750 -2.301 19.321 1.00 12.11 H new ATOM 0 HA2 GLY A 99 -2.809 -3.435 19.758 1.00 11.11 H new ATOM 0 HA3 GLY A 99 -2.401 -2.315 21.043 1.00 11.11 H new ATOM 1259 N ASP A 100 -4.843 -3.600 22.263 1.00 74.20 N ATOM 1260 CA ASP A 100 -5.419 -4.481 23.273 1.00 53.50 C ATOM 1261 C ASP A 100 -6.462 -5.407 22.655 1.00 22.34 C ATOM 1262 O ASP A 100 -6.843 -6.414 23.251 1.00 13.33 O ATOM 1263 CB ASP A 100 -6.052 -3.658 24.397 1.00 43.25 C ATOM 1264 CG ASP A 100 -5.259 -2.405 24.714 1.00 62.22 C ATOM 1265 OD1 ASP A 100 -4.349 -2.478 25.567 1.00 71.55 O ATOM 1266 OD2 ASP A 100 -5.547 -1.352 24.109 1.00 53.23 O ATOM 0 H ASP A 100 -5.384 -2.754 22.084 1.00 74.20 H new ATOM 0 HA ASP A 100 -4.617 -5.092 23.687 1.00 53.50 H new ATOM 0 HB2 ASP A 100 -7.067 -3.380 24.113 1.00 43.25 H new ATOM 0 HB3 ASP A 100 -6.129 -4.272 25.294 1.00 43.25 H new ATOM 1271 N GLY A 101 -6.920 -5.059 21.457 1.00 61.24 N ATOM 1272 CA GLY A 101 -7.915 -5.869 20.779 1.00 70.42 C ATOM 1273 C GLY A 101 -7.315 -7.100 20.129 1.00 75.44 C ATOM 1274 O GLY A 101 -8.008 -8.093 19.905 1.00 3.51 O ATOM 0 H GLY A 101 -6.620 -4.230 20.944 1.00 61.24 H new ATOM 0 HA2 GLY A 101 -8.679 -6.175 21.494 1.00 70.42 H new ATOM 0 HA3 GLY A 101 -8.413 -5.267 20.019 1.00 70.42 H new ATOM 1278 N GLY A 102 -6.023 -7.036 19.822 1.00 31.11 N ATOM 1279 CA GLY A 102 -5.353 -8.160 19.195 1.00 42.03 C ATOM 1280 C GLY A 102 -5.076 -9.288 20.169 1.00 12.31 C ATOM 1281 O GLY A 102 -5.076 -10.459 19.790 1.00 51.44 O ATOM 0 H GLY A 102 -5.428 -6.226 19.996 1.00 31.11 H new ATOM 0 HA2 GLY A 102 -5.967 -8.534 18.376 1.00 42.03 H new ATOM 0 HA3 GLY A 102 -4.413 -7.821 18.759 1.00 42.03 H new