USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 762 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 96 ASN :FLIP amide:sc= -3.2! C(o=-9.1!,f=-6.4!) USER MOD Set 1.2: A 97 LYS NZ :NH3+ -120:sc= -3.17 (180deg=-9.93!) USER MOD Set 2.1: A 78 LYS NZ :NH3+ 160:sc= -2.14! (180deg=-2.64!) USER MOD Set 2.2: A 86 THR OG1 : rot -89:sc= -1.01 USER MOD Set 3.1: A 71 ASN : amide:sc= -10.7! C(o=-9.6!,f=-18!) USER MOD Set 3.2: A 90 SER OG : rot -20:sc= 1.1 USER MOD Set 4.1: A 33 ASN : amide:sc= -4.95! C(o=-4.6!,f=-8.3!) USER MOD Set 4.2: A 36 LYS NZ :NH3+ -173:sc= 0.357 (180deg=0) USER MOD Set 5.1: A 19 ASN :FLIP amide:sc= -0.247 F(o=-2.8!,f=-0.22) USER MOD Set 5.2: A 21 SER OG : rot -20:sc= 0.0539 USER MOD Set 5.3: A 57 LYS NZ :NH3+ -130:sc= -0.0312 (180deg=-1.78!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.8 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.418 F(o=-2.5,f=-0.42) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -160:sc= -0.911 (180deg=-1.3) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.0941 F(o=-0.9,f=-0.094) USER MOD Single : A 56 SER OG : rot -170:sc= -0.611 USER MOD Single : A 64 ASN : amide:sc= -1.05! X(o=-1.1!,f=-1.2) USER MOD Single : A 66 GLN :FLIP amide:sc= -4.23! F(o=-4.7,f=-4.2!) USER MOD Single : A 74 SER OG : rot 55:sc= 1.06 USER MOD Single : A 80 ASN : amide:sc= -1.65 X(o=-1.7,f=-1.4) USER MOD Single : A 81 GLN :FLIP amide:sc= -2.15! C(o=-5.4!,f=-2.1!) USER MOD Single : A 84 MET CE :methyl -160:sc= -5.66! (180deg=-7.62!) USER MOD Single : A 91 MET CE :methyl 168:sc= -4.52! (180deg=-4.8!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 156:sc= -3.38! (180deg=-5.64!) USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 22 N ARG A 9 -3.841 -8.020 -13.037 1.00 0.00 N ATOM 23 CA ARG A 9 -2.758 -7.466 -12.233 1.00 0.00 C ATOM 24 C ARG A 9 -2.011 -6.380 -13.001 1.00 0.00 C ATOM 25 O ARG A 9 -1.352 -6.660 -14.004 1.00 0.00 O ATOM 26 CB ARG A 9 -1.788 -8.574 -11.815 1.00 0.00 C ATOM 27 CG ARG A 9 -1.894 -8.954 -10.348 1.00 0.00 C ATOM 28 CD ARG A 9 -0.609 -9.589 -9.846 1.00 0.00 C ATOM 29 NE ARG A 9 -0.588 -11.033 -10.069 1.00 0.00 N ATOM 30 CZ ARG A 9 -1.282 -11.906 -9.342 1.00 0.00 C ATOM 31 NH1 ARG A 9 -2.050 -11.487 -8.344 1.00 0.00 N ATOM 32 NH2 ARG A 9 -1.208 -13.201 -9.613 1.00 0.00 N ATOM 0 HA ARG A 9 -3.193 -7.018 -11.340 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.975 -9.458 -12.425 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.768 -8.251 -12.025 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.119 -8.067 -9.756 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.723 -9.648 -10.209 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.242 -9.132 -10.350 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.496 -9.385 -8.781 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.007 -11.393 -10.826 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.111 -10.491 -8.131 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.579 -12.161 -7.790 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.619 -13.529 -10.379 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.740 -13.870 -9.056 1.00 0.00 H new ATOM 46 N GLU A 10 -2.116 -5.142 -12.529 1.00 0.00 N ATOM 47 CA GLU A 10 -1.447 -4.020 -13.177 1.00 0.00 C ATOM 48 C GLU A 10 -0.849 -3.068 -12.145 1.00 0.00 C ATOM 49 O GLU A 10 -1.447 -2.814 -11.099 1.00 0.00 O ATOM 50 CB GLU A 10 -2.427 -3.266 -14.077 1.00 0.00 C ATOM 51 CG GLU A 10 -3.569 -2.609 -13.319 1.00 0.00 C ATOM 52 CD GLU A 10 -3.793 -1.168 -13.736 1.00 0.00 C ATOM 53 OE1 GLU A 10 -2.811 -0.503 -14.128 1.00 0.00 O ATOM 54 OE2 GLU A 10 -4.952 -0.705 -13.671 1.00 0.00 O ATOM 0 H GLU A 10 -2.657 -4.891 -11.702 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.636 -4.418 -13.787 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.883 -2.501 -14.632 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.840 -3.959 -14.810 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.484 -3.178 -13.484 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.359 -2.646 -12.250 1.00 0.00 H new ATOM 61 N PHE A 11 0.332 -2.538 -12.451 1.00 0.00 N ATOM 62 CA PHE A 11 1.009 -1.608 -11.555 1.00 0.00 C ATOM 63 C PHE A 11 0.478 -0.192 -11.750 1.00 0.00 C ATOM 64 O PHE A 11 0.061 0.176 -12.848 1.00 0.00 O ATOM 65 CB PHE A 11 2.518 -1.638 -11.799 1.00 0.00 C ATOM 66 CG PHE A 11 3.201 -2.828 -11.189 1.00 0.00 C ATOM 67 CD1 PHE A 11 2.861 -4.114 -11.577 1.00 0.00 C ATOM 68 CD2 PHE A 11 4.184 -2.662 -10.225 1.00 0.00 C ATOM 69 CE1 PHE A 11 3.487 -5.211 -11.018 1.00 0.00 C ATOM 70 CE2 PHE A 11 4.814 -3.756 -9.662 1.00 0.00 C ATOM 71 CZ PHE A 11 4.466 -5.032 -10.060 1.00 0.00 C ATOM 0 H PHE A 11 0.839 -2.737 -13.313 1.00 0.00 H new ATOM 0 HA PHE A 11 0.810 -1.917 -10.529 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.704 -1.633 -12.873 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.961 -0.728 -11.395 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.097 -4.260 -12.326 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.461 -1.666 -9.911 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.211 -6.208 -11.330 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.578 -3.613 -8.912 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.958 -5.888 -9.623 1.00 0.00 H new ATOM 81 N LEU A 12 0.488 0.597 -10.681 1.00 0.00 N ATOM 82 CA LEU A 12 -0.001 1.969 -10.746 1.00 0.00 C ATOM 83 C LEU A 12 0.922 2.925 -10.000 1.00 0.00 C ATOM 84 O LEU A 12 1.130 2.793 -8.794 1.00 0.00 O ATOM 85 CB LEU A 12 -1.413 2.058 -10.164 1.00 0.00 C ATOM 86 CG LEU A 12 -2.352 0.918 -10.560 1.00 0.00 C ATOM 87 CD1 LEU A 12 -3.329 0.615 -9.435 1.00 0.00 C ATOM 88 CD2 LEU A 12 -3.099 1.265 -11.840 1.00 0.00 C ATOM 0 H LEU A 12 0.828 0.311 -9.763 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.022 2.262 -11.796 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.340 2.086 -9.077 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.860 3.001 -10.478 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.753 0.025 -10.742 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.989 -0.199 -9.736 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.776 0.323 -8.542 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.923 1.503 -9.220 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.763 0.443 -12.108 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.686 2.170 -11.685 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.383 1.431 -12.645 1.00 0.00 H new ATOM 100 N THR A 13 1.460 3.898 -10.726 1.00 0.00 N ATOM 101 CA THR A 13 2.348 4.893 -10.137 1.00 0.00 C ATOM 102 C THR A 13 1.536 6.068 -9.607 1.00 0.00 C ATOM 103 O THR A 13 0.598 6.527 -10.262 1.00 0.00 O ATOM 104 CB THR A 13 3.364 5.382 -11.169 1.00 0.00 C ATOM 105 OG1 THR A 13 4.075 4.291 -11.729 1.00 0.00 O ATOM 106 CG2 THR A 13 4.380 6.347 -10.597 1.00 0.00 C ATOM 0 H THR A 13 1.296 4.019 -11.725 1.00 0.00 H new ATOM 0 HA THR A 13 2.888 4.431 -9.310 1.00 0.00 H new ATOM 0 HB THR A 13 2.779 5.903 -11.927 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.719 4.624 -12.388 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.071 6.655 -11.382 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.867 7.223 -10.201 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.935 5.859 -9.796 1.00 0.00 H new ATOM 114 N PHE A 14 1.879 6.546 -8.416 1.00 0.00 N ATOM 115 CA PHE A 14 1.154 7.657 -7.813 1.00 0.00 C ATOM 116 C PHE A 14 2.085 8.795 -7.401 1.00 0.00 C ATOM 117 O PHE A 14 3.157 8.570 -6.842 1.00 0.00 O ATOM 118 CB PHE A 14 0.362 7.173 -6.597 1.00 0.00 C ATOM 119 CG PHE A 14 -0.623 6.081 -6.911 1.00 0.00 C ATOM 120 CD1 PHE A 14 -1.335 6.090 -8.101 1.00 0.00 C ATOM 121 CD2 PHE A 14 -0.836 5.046 -6.016 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.241 5.088 -8.389 1.00 0.00 C ATOM 123 CE2 PHE A 14 -1.740 4.039 -6.299 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.444 4.061 -7.488 1.00 0.00 C ATOM 0 H PHE A 14 2.649 6.184 -7.853 1.00 0.00 H new ATOM 0 HA PHE A 14 0.470 8.044 -8.568 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.059 6.814 -5.840 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.172 8.018 -6.163 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.179 6.889 -8.810 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.289 5.025 -5.085 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.791 5.108 -9.319 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.896 3.237 -5.593 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.152 3.277 -7.712 1.00 0.00 H new ATOM 134 N GLU A 15 1.642 10.018 -7.670 1.00 0.00 N ATOM 135 CA GLU A 15 2.398 11.216 -7.321 1.00 0.00 C ATOM 136 C GLU A 15 1.681 11.959 -6.201 1.00 0.00 C ATOM 137 O GLU A 15 0.670 12.621 -6.434 1.00 0.00 O ATOM 138 CB GLU A 15 2.545 12.122 -8.544 1.00 0.00 C ATOM 139 CG GLU A 15 3.372 11.504 -9.660 1.00 0.00 C ATOM 140 CD GLU A 15 2.514 10.939 -10.775 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.312 10.700 -10.536 1.00 0.00 O ATOM 142 OE2 GLU A 15 3.043 10.739 -11.887 1.00 0.00 O ATOM 0 H GLU A 15 0.753 10.207 -8.134 1.00 0.00 H new ATOM 0 HA GLU A 15 3.393 10.927 -6.982 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.554 12.364 -8.928 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.006 13.061 -8.238 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.044 12.258 -10.070 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.996 10.711 -9.249 1.00 0.00 H new ATOM 149 N VAL A 16 2.189 11.826 -4.981 1.00 0.00 N ATOM 150 CA VAL A 16 1.567 12.468 -3.829 1.00 0.00 C ATOM 151 C VAL A 16 2.376 13.668 -3.344 1.00 0.00 C ATOM 152 O VAL A 16 3.465 13.509 -2.792 1.00 0.00 O ATOM 153 CB VAL A 16 1.374 11.476 -2.661 1.00 0.00 C ATOM 154 CG1 VAL A 16 0.062 11.760 -1.941 1.00 0.00 C ATOM 155 CG2 VAL A 16 1.406 10.035 -3.154 1.00 0.00 C ATOM 0 H VAL A 16 3.025 11.283 -4.765 1.00 0.00 H new ATOM 0 HA VAL A 16 0.590 12.816 -4.163 1.00 0.00 H new ATOM 0 HB VAL A 16 2.199 11.611 -1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.063 11.054 -1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.076 12.776 -1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.767 11.653 -2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.268 9.359 -2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.606 9.880 -3.878 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.367 9.833 -3.627 1.00 0.00 H new ATOM 165 N PRO A 17 1.850 14.893 -3.547 1.00 0.00 N ATOM 166 CA PRO A 17 2.523 16.124 -3.134 1.00 0.00 C ATOM 167 C PRO A 17 2.315 16.451 -1.659 1.00 0.00 C ATOM 168 O PRO A 17 1.295 17.033 -1.284 1.00 0.00 O ATOM 169 CB PRO A 17 1.858 17.183 -4.008 1.00 0.00 C ATOM 170 CG PRO A 17 0.471 16.680 -4.211 1.00 0.00 C ATOM 171 CD PRO A 17 0.556 15.174 -4.204 1.00 0.00 C ATOM 0 HA PRO A 17 3.604 16.054 -3.251 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.859 18.158 -3.521 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.381 17.300 -4.957 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.190 17.035 -3.420 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.062 17.041 -5.154 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.275 14.730 -3.656 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.525 14.768 -5.215 1.00 0.00 H new ATOM 179 N LEU A 18 3.292 16.097 -0.824 1.00 0.00 N ATOM 180 CA LEU A 18 3.208 16.374 0.608 1.00 0.00 C ATOM 181 C LEU A 18 3.775 17.752 0.929 1.00 0.00 C ATOM 182 O LEU A 18 4.188 18.020 2.057 1.00 0.00 O ATOM 183 CB LEU A 18 3.947 15.307 1.408 1.00 0.00 C ATOM 184 CG LEU A 18 5.464 15.393 1.319 1.00 0.00 C ATOM 185 CD1 LEU A 18 6.036 16.102 2.542 1.00 0.00 C ATOM 186 CD2 LEU A 18 6.070 14.006 1.173 1.00 0.00 C ATOM 0 H LEU A 18 4.146 15.620 -1.113 1.00 0.00 H new ATOM 0 HA LEU A 18 2.155 16.357 0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.652 15.385 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.630 14.324 1.060 1.00 0.00 H new ATOM 0 HG LEU A 18 5.722 15.976 0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.122 16.153 2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.629 17.111 2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.767 15.549 3.442 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.155 14.088 1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.801 13.399 2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.689 13.536 0.266 1.00 0.00 H new ATOM 198 N ASN A 19 3.779 18.614 -0.077 1.00 0.00 N ATOM 199 CA ASN A 19 4.274 19.983 0.044 1.00 0.00 C ATOM 200 C ASN A 19 3.948 20.593 1.408 1.00 0.00 C ATOM 201 O ASN A 19 4.704 21.411 1.931 1.00 0.00 O ATOM 202 CB ASN A 19 3.662 20.837 -1.068 1.00 0.00 C ATOM 203 CG ASN A 19 2.195 21.170 -0.819 1.00 0.00 C ATOM 204 OD1 ASN A 19 1.384 20.150 -0.525 1.00 0.00 O flip ATOM 205 ND2 ASN A 19 1.795 22.331 -0.888 1.00 0.00 N flip ATOM 0 H ASN A 19 3.436 18.384 -1.010 1.00 0.00 H new ATOM 0 HA ASN A 19 5.360 19.960 -0.050 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.229 21.763 -1.162 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.754 20.309 -2.017 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.446 23.082 -1.115 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.812 22.543 -0.718 1.00 0.00 H new ATOM 212 N ASP A 20 2.817 20.188 1.975 1.00 0.00 N ATOM 213 CA ASP A 20 2.387 20.691 3.273 1.00 0.00 C ATOM 214 C ASP A 20 1.649 19.612 4.056 1.00 0.00 C ATOM 215 O ASP A 20 0.813 19.909 4.910 1.00 0.00 O ATOM 216 CB ASP A 20 1.488 21.918 3.095 1.00 0.00 C ATOM 217 CG ASP A 20 1.794 23.008 4.102 1.00 0.00 C ATOM 218 OD1 ASP A 20 2.868 23.636 3.991 1.00 0.00 O ATOM 219 OD2 ASP A 20 0.958 23.236 5.003 1.00 0.00 O ATOM 0 H ASP A 20 2.180 19.511 1.554 1.00 0.00 H new ATOM 0 HA ASP A 20 3.274 20.979 3.837 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.612 22.313 2.087 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.445 21.618 3.194 1.00 0.00 H new ATOM 224 N SER A 21 1.966 18.356 3.758 1.00 0.00 N ATOM 225 CA SER A 21 1.339 17.226 4.430 1.00 0.00 C ATOM 226 C SER A 21 2.335 16.512 5.341 1.00 0.00 C ATOM 227 O SER A 21 1.945 15.736 6.214 1.00 0.00 O ATOM 228 CB SER A 21 0.775 16.248 3.400 1.00 0.00 C ATOM 229 OG SER A 21 -0.062 16.914 2.469 1.00 0.00 O ATOM 0 H SER A 21 2.656 18.096 3.053 1.00 0.00 H new ATOM 0 HA SER A 21 0.523 17.605 5.046 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.594 15.758 2.872 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.210 15.466 3.907 1.00 0.00 H new ATOM 0 HG SER A 21 -0.360 17.767 2.849 1.00 0.00 H new ATOM 235 N GLY A 22 3.624 16.778 5.135 1.00 0.00 N ATOM 236 CA GLY A 22 4.654 16.154 5.948 1.00 0.00 C ATOM 237 C GLY A 22 4.394 16.302 7.434 1.00 0.00 C ATOM 238 O GLY A 22 4.770 15.437 8.226 1.00 0.00 O ATOM 0 H GLY A 22 3.973 17.415 4.419 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.717 15.095 5.698 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.620 16.597 5.706 1.00 0.00 H new ATOM 242 N SER A 23 3.745 17.399 7.816 1.00 0.00 N ATOM 243 CA SER A 23 3.430 17.654 9.218 1.00 0.00 C ATOM 244 C SER A 23 2.678 16.474 9.823 1.00 0.00 C ATOM 245 O SER A 23 2.869 16.128 10.988 1.00 0.00 O ATOM 246 CB SER A 23 2.599 18.930 9.354 1.00 0.00 C ATOM 247 OG SER A 23 2.437 19.292 10.715 1.00 0.00 O ATOM 0 H SER A 23 3.427 18.125 7.174 1.00 0.00 H new ATOM 0 HA SER A 23 4.367 17.784 9.760 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.084 19.743 8.814 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.621 18.781 8.895 1.00 0.00 H new ATOM 0 HG SER A 23 1.903 20.112 10.774 1.00 0.00 H new ATOM 253 N ALA A 24 1.824 15.854 9.013 1.00 0.00 N ATOM 254 CA ALA A 24 1.046 14.705 9.452 1.00 0.00 C ATOM 255 C ALA A 24 1.637 13.410 8.907 1.00 0.00 C ATOM 256 O ALA A 24 1.455 12.340 9.487 1.00 0.00 O ATOM 257 CB ALA A 24 -0.404 14.853 9.012 1.00 0.00 C ATOM 0 H ALA A 24 1.655 16.131 8.046 1.00 0.00 H new ATOM 0 HA ALA A 24 1.081 14.662 10.541 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.976 13.987 9.346 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.826 15.758 9.449 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.449 14.920 7.925 1.00 0.00 H new ATOM 263 N GLY A 25 2.345 13.516 7.786 1.00 0.00 N ATOM 264 CA GLY A 25 2.955 12.351 7.176 1.00 0.00 C ATOM 265 C GLY A 25 2.279 11.959 5.879 1.00 0.00 C ATOM 266 O GLY A 25 1.913 10.800 5.687 1.00 0.00 O ATOM 0 H GLY A 25 2.507 14.392 7.289 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.009 12.553 6.987 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.911 11.514 7.873 1.00 0.00 H new ATOM 270 N LEU A 26 2.117 12.934 4.988 1.00 0.00 N ATOM 271 CA LEU A 26 1.487 12.710 3.686 1.00 0.00 C ATOM 272 C LEU A 26 -0.035 12.654 3.794 1.00 0.00 C ATOM 273 O LEU A 26 -0.738 13.372 3.085 1.00 0.00 O ATOM 274 CB LEU A 26 2.005 11.424 3.037 1.00 0.00 C ATOM 275 CG LEU A 26 1.674 11.274 1.552 1.00 0.00 C ATOM 276 CD1 LEU A 26 2.253 12.431 0.755 1.00 0.00 C ATOM 277 CD2 LEU A 26 2.196 9.947 1.022 1.00 0.00 C ATOM 0 H LEU A 26 2.416 13.896 5.145 1.00 0.00 H new ATOM 0 HA LEU A 26 1.754 13.559 3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.087 11.383 3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.591 10.571 3.575 1.00 0.00 H new ATOM 0 HG LEU A 26 0.590 11.289 1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.007 12.306 -0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.832 13.369 1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.336 12.449 0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.952 9.857 -0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.278 9.904 1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.733 9.128 1.572 1.00 0.00 H new ATOM 289 N GLY A 27 -0.544 11.795 4.674 1.00 0.00 N ATOM 290 CA GLY A 27 -1.974 11.669 4.830 1.00 0.00 C ATOM 291 C GLY A 27 -2.473 10.293 4.448 1.00 0.00 C ATOM 292 O GLY A 27 -3.386 10.162 3.635 1.00 0.00 O ATOM 0 H GLY A 27 0.010 11.188 5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.244 11.877 5.865 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.472 12.418 4.214 1.00 0.00 H new ATOM 296 N VAL A 28 -1.882 9.262 5.050 1.00 0.00 N ATOM 297 CA VAL A 28 -2.286 7.887 4.776 1.00 0.00 C ATOM 298 C VAL A 28 -1.675 6.914 5.782 1.00 0.00 C ATOM 299 O VAL A 28 -0.753 7.260 6.521 1.00 0.00 O ATOM 300 CB VAL A 28 -1.896 7.430 3.350 1.00 0.00 C ATOM 301 CG1 VAL A 28 -3.114 7.398 2.442 1.00 0.00 C ATOM 302 CG2 VAL A 28 -0.810 8.321 2.763 1.00 0.00 C ATOM 0 H VAL A 28 -1.125 9.354 5.728 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.372 7.875 4.864 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.496 6.419 3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.816 7.074 1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.850 6.702 2.845 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.551 8.395 2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.557 7.975 1.761 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.171 9.348 2.712 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.077 8.279 3.396 1.00 0.00 H new ATOM 312 N SER A 29 -2.200 5.693 5.792 1.00 0.00 N ATOM 313 CA SER A 29 -1.719 4.649 6.688 1.00 0.00 C ATOM 314 C SER A 29 -1.852 3.284 6.022 1.00 0.00 C ATOM 315 O SER A 29 -2.848 3.008 5.355 1.00 0.00 O ATOM 316 CB SER A 29 -2.502 4.670 8.002 1.00 0.00 C ATOM 317 OG SER A 29 -1.801 3.988 9.026 1.00 0.00 O ATOM 0 H SER A 29 -2.965 5.401 5.184 1.00 0.00 H new ATOM 0 HA SER A 29 -0.668 4.836 6.906 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.681 5.702 8.305 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.478 4.207 7.855 1.00 0.00 H new ATOM 0 HG SER A 29 -2.322 4.018 9.855 1.00 0.00 H new ATOM 323 N VAL A 30 -0.843 2.437 6.192 1.00 0.00 N ATOM 324 CA VAL A 30 -0.859 1.109 5.589 1.00 0.00 C ATOM 325 C VAL A 30 -0.523 0.024 6.605 1.00 0.00 C ATOM 326 O VAL A 30 0.112 0.287 7.626 1.00 0.00 O ATOM 327 CB VAL A 30 0.131 1.018 4.414 1.00 0.00 C ATOM 328 CG1 VAL A 30 -0.410 1.762 3.202 1.00 0.00 C ATOM 329 CG2 VAL A 30 1.491 1.562 4.820 1.00 0.00 C ATOM 0 H VAL A 30 -0.008 2.644 6.739 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.873 0.947 5.222 1.00 0.00 H new ATOM 0 HB VAL A 30 0.251 -0.031 4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.303 1.687 2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.360 1.322 2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.561 2.811 3.457 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.178 1.490 3.977 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.391 2.606 5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.880 0.981 5.656 1.00 0.00 H new ATOM 339 N LYS A 31 -0.954 -1.198 6.311 1.00 0.00 N ATOM 340 CA LYS A 31 -0.703 -2.332 7.192 1.00 0.00 C ATOM 341 C LYS A 31 -0.176 -3.528 6.401 1.00 0.00 C ATOM 342 O LYS A 31 -0.633 -3.799 5.290 1.00 0.00 O ATOM 343 CB LYS A 31 -1.982 -2.705 7.954 1.00 0.00 C ATOM 344 CG LYS A 31 -2.838 -3.756 7.261 1.00 0.00 C ATOM 345 CD LYS A 31 -2.355 -5.160 7.581 1.00 0.00 C ATOM 346 CE LYS A 31 -3.509 -6.146 7.648 1.00 0.00 C ATOM 347 NZ LYS A 31 -3.174 -7.339 8.476 1.00 0.00 N ATOM 0 H LYS A 31 -1.480 -1.428 5.468 1.00 0.00 H new ATOM 0 HA LYS A 31 0.061 -2.045 7.915 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.708 -3.071 8.944 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.579 -1.805 8.101 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.876 -3.646 7.574 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.811 -3.597 6.183 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.643 -5.483 6.821 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.824 -5.155 8.533 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.386 -5.650 8.064 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.772 -6.466 6.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.987 -7.987 8.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.353 -7.827 8.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.948 -7.037 9.445 1.00 0.00 H new ATOM 361 N GLY A 32 0.780 -4.241 6.983 1.00 0.00 N ATOM 362 CA GLY A 32 1.347 -5.401 6.323 1.00 0.00 C ATOM 363 C GLY A 32 0.692 -6.691 6.772 1.00 0.00 C ATOM 364 O GLY A 32 0.543 -6.933 7.969 1.00 0.00 O ATOM 0 H GLY A 32 1.173 -4.036 7.902 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.234 -5.294 5.244 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.416 -5.448 6.529 1.00 0.00 H new ATOM 368 N ASN A 33 0.292 -7.521 5.813 1.00 0.00 N ATOM 369 CA ASN A 33 -0.356 -8.784 6.123 1.00 0.00 C ATOM 370 C ASN A 33 0.602 -9.951 5.896 1.00 0.00 C ATOM 371 O ASN A 33 1.353 -9.972 4.922 1.00 0.00 O ATOM 372 CB ASN A 33 -1.616 -8.932 5.265 1.00 0.00 C ATOM 373 CG ASN A 33 -1.926 -10.363 4.894 1.00 0.00 C ATOM 374 OD1 ASN A 33 -2.391 -11.150 5.718 1.00 0.00 O ATOM 375 ND2 ASN A 33 -1.665 -10.701 3.643 1.00 0.00 N ATOM 0 H ASN A 33 0.407 -7.339 4.816 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.642 -8.793 7.175 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.465 -8.513 5.805 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.497 -8.346 4.354 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.849 -11.652 3.323 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.280 -10.011 2.998 1.00 0.00 H new ATOM 382 N ARG A 34 0.567 -10.920 6.804 1.00 0.00 N ATOM 383 CA ARG A 34 1.427 -12.092 6.705 1.00 0.00 C ATOM 384 C ARG A 34 0.660 -13.286 6.148 1.00 0.00 C ATOM 385 O ARG A 34 -0.504 -13.502 6.489 1.00 0.00 O ATOM 386 CB ARG A 34 2.011 -12.437 8.078 1.00 0.00 C ATOM 387 CG ARG A 34 3.508 -12.701 8.053 1.00 0.00 C ATOM 388 CD ARG A 34 4.268 -11.695 8.902 1.00 0.00 C ATOM 389 NE ARG A 34 5.669 -11.588 8.504 1.00 0.00 N ATOM 390 CZ ARG A 34 6.623 -11.073 9.276 1.00 0.00 C ATOM 391 NH1 ARG A 34 6.331 -10.616 10.488 1.00 0.00 N ATOM 392 NH2 ARG A 34 7.873 -11.012 8.837 1.00 0.00 N ATOM 0 H ARG A 34 -0.048 -10.916 7.617 1.00 0.00 H new ATOM 0 HA ARG A 34 2.242 -11.858 6.019 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.806 -11.618 8.767 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.502 -13.317 8.470 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.706 -13.709 8.417 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.869 -12.657 7.025 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.792 -10.718 8.819 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.211 -11.989 9.950 1.00 0.00 H new ATOM 0 HE ARG A 34 5.932 -11.928 7.579 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.372 -10.659 10.832 1.00 0.00 H new ATOM 0 HH12 ARG A 34 7.066 -10.222 11.075 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.104 -11.360 7.907 1.00 0.00 H new ATOM 0 HH22 ARG A 34 8.603 -10.617 9.430 1.00 0.00 H new ATOM 406 N SER A 35 1.318 -14.057 5.289 1.00 0.00 N ATOM 407 CA SER A 35 0.699 -15.231 4.685 1.00 0.00 C ATOM 408 C SER A 35 0.200 -16.195 5.756 1.00 0.00 C ATOM 409 O SER A 35 0.890 -16.453 6.742 1.00 0.00 O ATOM 410 CB SER A 35 1.695 -15.942 3.767 1.00 0.00 C ATOM 411 OG SER A 35 1.055 -16.440 2.605 1.00 0.00 O ATOM 0 H SER A 35 2.280 -13.890 4.995 1.00 0.00 H new ATOM 0 HA SER A 35 -0.155 -14.898 4.095 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.488 -15.251 3.481 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.168 -16.763 4.305 1.00 0.00 H new ATOM 0 HG SER A 35 1.714 -16.888 2.035 1.00 0.00 H new ATOM 417 N LYS A 36 -1.002 -16.723 5.559 1.00 0.00 N ATOM 418 CA LYS A 36 -1.592 -17.658 6.510 1.00 0.00 C ATOM 419 C LYS A 36 -1.139 -19.092 6.239 1.00 0.00 C ATOM 420 O LYS A 36 -1.616 -20.030 6.878 1.00 0.00 O ATOM 421 CB LYS A 36 -3.117 -17.577 6.449 1.00 0.00 C ATOM 422 CG LYS A 36 -3.666 -16.198 6.776 1.00 0.00 C ATOM 423 CD LYS A 36 -3.965 -15.403 5.513 1.00 0.00 C ATOM 424 CE LYS A 36 -3.548 -13.949 5.658 1.00 0.00 C ATOM 425 NZ LYS A 36 -4.474 -13.031 4.941 1.00 0.00 N ATOM 0 H LYS A 36 -1.588 -16.520 4.749 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.252 -17.378 7.507 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.448 -17.864 5.451 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.539 -18.302 7.145 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.576 -16.298 7.368 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.946 -15.654 7.388 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.441 -15.850 4.668 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.031 -15.457 5.292 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.520 -13.683 6.715 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.537 -13.821 5.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.091 -12.064 4.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.574 -13.340 3.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.405 -13.046 5.404 1.00 0.00 H new ATOM 439 N GLU A 37 -0.222 -19.261 5.291 1.00 0.00 N ATOM 440 CA GLU A 37 0.282 -20.583 4.944 1.00 0.00 C ATOM 441 C GLU A 37 1.674 -20.813 5.525 1.00 0.00 C ATOM 442 O GLU A 37 2.029 -21.940 5.872 1.00 0.00 O ATOM 443 CB GLU A 37 0.316 -20.753 3.424 1.00 0.00 C ATOM 444 CG GLU A 37 -1.047 -20.610 2.766 1.00 0.00 C ATOM 445 CD GLU A 37 -1.844 -21.900 2.789 1.00 0.00 C ATOM 446 OE1 GLU A 37 -1.610 -22.759 1.915 1.00 0.00 O ATOM 447 OE2 GLU A 37 -2.704 -22.049 3.684 1.00 0.00 O ATOM 0 H GLU A 37 0.186 -18.498 4.750 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.393 -21.323 5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.995 -20.014 2.999 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.724 -21.735 3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.612 -19.829 3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.916 -20.287 1.733 1.00 0.00 H new ATOM 454 N ASN A 38 2.461 -19.747 5.621 1.00 0.00 N ATOM 455 CA ASN A 38 3.817 -19.849 6.156 1.00 0.00 C ATOM 456 C ASN A 38 4.239 -18.562 6.862 1.00 0.00 C ATOM 457 O ASN A 38 5.431 -18.307 7.038 1.00 0.00 O ATOM 458 CB ASN A 38 4.812 -20.175 5.035 1.00 0.00 C ATOM 459 CG ASN A 38 4.389 -19.621 3.687 1.00 0.00 C ATOM 460 OD1 ASN A 38 3.836 -18.412 3.686 1.00 0.00 O flip ATOM 461 ND2 ASN A 38 4.557 -20.272 2.656 1.00 0.00 N flip ATOM 0 H ASN A 38 2.187 -18.806 5.337 1.00 0.00 H new ATOM 0 HA ASN A 38 3.820 -20.656 6.888 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.790 -19.772 5.297 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.923 -21.257 4.958 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.985 -21.197 2.701 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.268 -19.887 1.757 1.00 0.00 H new ATOM 468 N HIS A 39 3.263 -17.754 7.268 1.00 0.00 N ATOM 469 CA HIS A 39 3.546 -16.499 7.957 1.00 0.00 C ATOM 470 C HIS A 39 4.556 -15.659 7.176 1.00 0.00 C ATOM 471 O HIS A 39 5.533 -15.160 7.735 1.00 0.00 O ATOM 472 CB HIS A 39 4.072 -16.776 9.367 1.00 0.00 C ATOM 473 CG HIS A 39 3.000 -16.801 10.411 1.00 0.00 C ATOM 474 ND1 HIS A 39 2.286 -17.937 10.730 1.00 0.00 N ATOM 475 CD2 HIS A 39 2.522 -15.820 11.214 1.00 0.00 C ATOM 476 CE1 HIS A 39 1.414 -17.653 11.681 1.00 0.00 C ATOM 477 NE2 HIS A 39 1.538 -16.377 11.993 1.00 0.00 N ATOM 0 H HIS A 39 2.271 -17.946 7.132 1.00 0.00 H new ATOM 0 HA HIS A 39 2.616 -15.935 8.028 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.593 -17.733 9.370 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.805 -16.013 9.629 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.853 -14.792 11.237 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.718 -18.348 12.127 1.00 0.00 H new ATOM 0 HE2 HIS A 39 0.991 -15.884 12.699 1.00 0.00 H new ATOM 486 N ALA A 40 4.313 -15.507 5.877 1.00 0.00 N ATOM 487 CA ALA A 40 5.198 -14.729 5.021 1.00 0.00 C ATOM 488 C ALA A 40 4.616 -13.349 4.739 1.00 0.00 C ATOM 489 O ALA A 40 3.567 -13.223 4.107 1.00 0.00 O ATOM 490 CB ALA A 40 5.456 -15.472 3.719 1.00 0.00 C ATOM 0 H ALA A 40 3.510 -15.913 5.396 1.00 0.00 H new ATOM 0 HA ALA A 40 6.145 -14.594 5.544 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.119 -14.880 3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.923 -16.433 3.935 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.511 -15.636 3.200 1.00 0.00 H new ATOM 496 N ASP A 41 5.303 -12.315 5.214 1.00 0.00 N ATOM 497 CA ASP A 41 4.855 -10.940 5.016 1.00 0.00 C ATOM 498 C ASP A 41 4.613 -10.647 3.538 1.00 0.00 C ATOM 499 O ASP A 41 5.557 -10.486 2.766 1.00 0.00 O ATOM 500 CB ASP A 41 5.890 -9.962 5.576 1.00 0.00 C ATOM 501 CG ASP A 41 7.304 -10.320 5.162 1.00 0.00 C ATOM 502 OD1 ASP A 41 7.703 -9.959 4.036 1.00 0.00 O ATOM 503 OD2 ASP A 41 8.013 -10.961 5.966 1.00 0.00 O ATOM 0 H ASP A 41 6.173 -12.403 5.739 1.00 0.00 H new ATOM 0 HA ASP A 41 3.913 -10.813 5.549 1.00 0.00 H new ATOM 0 HB2 ASP A 41 5.657 -8.954 5.232 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.824 -9.951 6.664 1.00 0.00 H new ATOM 508 N LEU A 42 3.343 -10.579 3.153 1.00 0.00 N ATOM 509 CA LEU A 42 2.981 -10.304 1.768 1.00 0.00 C ATOM 510 C LEU A 42 3.391 -8.894 1.369 1.00 0.00 C ATOM 511 O LEU A 42 4.254 -8.699 0.513 1.00 0.00 O ATOM 512 CB LEU A 42 1.474 -10.480 1.562 1.00 0.00 C ATOM 513 CG LEU A 42 0.917 -11.850 1.945 1.00 0.00 C ATOM 514 CD1 LEU A 42 -0.492 -12.019 1.401 1.00 0.00 C ATOM 515 CD2 LEU A 42 1.822 -12.961 1.434 1.00 0.00 C ATOM 0 H LEU A 42 2.549 -10.710 3.779 1.00 0.00 H new ATOM 0 HA LEU A 42 3.513 -11.015 1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.953 -9.719 2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.243 -10.293 0.513 1.00 0.00 H new ATOM 0 HG LEU A 42 0.880 -11.914 3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.875 -13.000 1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.137 -11.245 1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.475 -11.934 0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.407 -13.928 1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.894 -12.901 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.815 -12.851 1.870 1.00 0.00 H new ATOM 527 N GLY A 43 2.760 -7.914 2.001 1.00 0.00 N ATOM 528 CA GLY A 43 3.055 -6.524 1.714 1.00 0.00 C ATOM 529 C GLY A 43 2.138 -5.582 2.464 1.00 0.00 C ATOM 530 O GLY A 43 1.289 -6.025 3.240 1.00 0.00 O ATOM 0 H GLY A 43 2.044 -8.059 2.713 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.090 -6.311 1.981 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.959 -6.347 0.643 1.00 0.00 H new ATOM 534 N ILE A 44 2.301 -4.283 2.235 1.00 0.00 N ATOM 535 CA ILE A 44 1.470 -3.285 2.900 1.00 0.00 C ATOM 536 C ILE A 44 0.368 -2.784 1.972 1.00 0.00 C ATOM 537 O ILE A 44 0.589 -2.578 0.778 1.00 0.00 O ATOM 538 CB ILE A 44 2.288 -2.072 3.412 1.00 0.00 C ATOM 539 CG1 ILE A 44 3.787 -2.284 3.201 1.00 0.00 C ATOM 540 CG2 ILE A 44 1.993 -1.816 4.882 1.00 0.00 C ATOM 541 CD1 ILE A 44 4.363 -3.425 4.014 1.00 0.00 C ATOM 0 H ILE A 44 2.997 -3.898 1.597 1.00 0.00 H new ATOM 0 HA ILE A 44 1.030 -3.786 3.762 1.00 0.00 H new ATOM 0 HB ILE A 44 1.987 -1.198 2.834 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.972 -2.474 2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.314 -1.365 3.457 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.575 -0.961 5.226 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.931 -1.607 5.009 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.261 -2.697 5.466 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.430 -3.514 3.811 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.210 -3.229 5.075 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.863 -4.355 3.741 1.00 0.00 H new ATOM 553 N PHE A 45 -0.815 -2.594 2.535 1.00 0.00 N ATOM 554 CA PHE A 45 -1.971 -2.117 1.778 1.00 0.00 C ATOM 555 C PHE A 45 -2.540 -0.858 2.416 1.00 0.00 C ATOM 556 O PHE A 45 -2.545 -0.721 3.640 1.00 0.00 O ATOM 557 CB PHE A 45 -3.056 -3.201 1.713 1.00 0.00 C ATOM 558 CG PHE A 45 -2.532 -4.603 1.876 1.00 0.00 C ATOM 559 CD1 PHE A 45 -1.414 -5.024 1.175 1.00 0.00 C ATOM 560 CD2 PHE A 45 -3.159 -5.496 2.732 1.00 0.00 C ATOM 561 CE1 PHE A 45 -0.929 -6.309 1.324 1.00 0.00 C ATOM 562 CE2 PHE A 45 -2.678 -6.781 2.885 1.00 0.00 C ATOM 563 CZ PHE A 45 -1.562 -7.188 2.180 1.00 0.00 C ATOM 0 H PHE A 45 -1.005 -2.764 3.523 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.643 -1.885 0.765 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.795 -3.008 2.490 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.573 -3.126 0.756 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.916 -4.340 0.504 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.033 -5.183 3.285 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.056 -6.625 0.772 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.174 -7.467 3.555 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.185 -8.193 2.298 1.00 0.00 H new ATOM 573 N VAL A 46 -3.019 0.064 1.584 1.00 0.00 N ATOM 574 CA VAL A 46 -3.591 1.309 2.086 1.00 0.00 C ATOM 575 C VAL A 46 -4.707 1.026 3.086 1.00 0.00 C ATOM 576 O VAL A 46 -5.810 0.632 2.710 1.00 0.00 O ATOM 577 CB VAL A 46 -4.143 2.184 0.944 1.00 0.00 C ATOM 578 CG1 VAL A 46 -4.527 3.563 1.462 1.00 0.00 C ATOM 579 CG2 VAL A 46 -3.129 2.295 -0.185 1.00 0.00 C ATOM 0 H VAL A 46 -3.022 -0.027 0.568 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.786 1.852 2.581 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.040 1.707 0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.914 4.165 0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.293 3.463 2.231 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.649 4.050 1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.538 2.917 -0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.212 2.746 0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.910 1.302 -0.576 1.00 0.00 H new ATOM 589 N LYS A 47 -4.403 1.224 4.363 1.00 0.00 N ATOM 590 CA LYS A 47 -5.366 0.986 5.432 1.00 0.00 C ATOM 591 C LYS A 47 -6.372 2.126 5.523 1.00 0.00 C ATOM 592 O LYS A 47 -7.568 1.899 5.707 1.00 0.00 O ATOM 593 CB LYS A 47 -4.633 0.823 6.768 1.00 0.00 C ATOM 594 CG LYS A 47 -5.556 0.729 7.973 1.00 0.00 C ATOM 595 CD LYS A 47 -6.261 -0.616 8.033 1.00 0.00 C ATOM 596 CE LYS A 47 -5.283 -1.742 8.321 1.00 0.00 C ATOM 597 NZ LYS A 47 -5.976 -3.047 8.508 1.00 0.00 N ATOM 0 H LYS A 47 -3.492 1.551 4.685 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.910 0.069 5.206 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.016 -0.075 6.725 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.958 1.668 6.906 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.980 0.880 8.886 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.297 1.527 7.928 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.029 -0.592 8.807 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.768 -0.805 7.087 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.571 -1.824 7.499 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.709 -1.504 9.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.352 -3.701 9.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.849 -2.901 9.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.211 -3.451 7.579 1.00 0.00 H new ATOM 611 N SER A 48 -5.879 3.352 5.398 1.00 0.00 N ATOM 612 CA SER A 48 -6.739 4.526 5.472 1.00 0.00 C ATOM 613 C SER A 48 -6.054 5.741 4.862 1.00 0.00 C ATOM 614 O SER A 48 -4.882 5.684 4.489 1.00 0.00 O ATOM 615 CB SER A 48 -7.118 4.816 6.925 1.00 0.00 C ATOM 616 OG SER A 48 -8.486 5.171 7.034 1.00 0.00 O ATOM 0 H SER A 48 -4.892 3.559 5.245 1.00 0.00 H new ATOM 0 HA SER A 48 -7.645 4.318 4.902 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.917 3.938 7.539 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.497 5.624 7.312 1.00 0.00 H new ATOM 0 HG SER A 48 -8.704 5.350 7.973 1.00 0.00 H new ATOM 622 N ILE A 49 -6.793 6.840 4.760 1.00 0.00 N ATOM 623 CA ILE A 49 -6.255 8.067 4.191 1.00 0.00 C ATOM 624 C ILE A 49 -6.694 9.285 4.993 1.00 0.00 C ATOM 625 O ILE A 49 -7.728 9.265 5.661 1.00 0.00 O ATOM 626 CB ILE A 49 -6.692 8.245 2.726 1.00 0.00 C ATOM 627 CG1 ILE A 49 -6.580 6.918 1.970 1.00 0.00 C ATOM 628 CG2 ILE A 49 -5.862 9.322 2.049 1.00 0.00 C ATOM 629 CD1 ILE A 49 -6.991 7.005 0.517 1.00 0.00 C ATOM 0 H ILE A 49 -7.765 6.905 5.064 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.169 7.983 4.231 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.735 8.560 2.712 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.550 6.565 2.026 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.200 6.173 2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.185 9.434 1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.994 10.268 2.575 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.810 9.039 2.072 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.884 6.026 0.049 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.030 7.327 0.452 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.355 7.725 0.001 1.00 0.00 H new ATOM 641 N ILE A 50 -5.901 10.345 4.915 1.00 0.00 N ATOM 642 CA ILE A 50 -6.200 11.581 5.625 1.00 0.00 C ATOM 643 C ILE A 50 -6.664 12.654 4.647 1.00 0.00 C ATOM 644 O ILE A 50 -5.857 13.239 3.926 1.00 0.00 O ATOM 645 CB ILE A 50 -4.971 12.105 6.404 1.00 0.00 C ATOM 646 CG1 ILE A 50 -4.552 11.115 7.500 1.00 0.00 C ATOM 647 CG2 ILE A 50 -5.280 13.463 7.020 1.00 0.00 C ATOM 648 CD1 ILE A 50 -3.775 9.922 7.000 1.00 0.00 C ATOM 0 H ILE A 50 -5.043 10.373 4.365 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.994 11.359 6.339 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.144 12.210 5.702 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.948 11.643 8.238 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.446 10.761 8.014 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.408 13.822 7.566 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.531 14.172 6.231 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.123 13.369 7.705 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.520 9.276 7.840 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.382 9.366 6.285 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.861 10.261 6.513 1.00 0.00 H new ATOM 660 N ASN A 51 -7.969 12.904 4.631 1.00 0.00 N ATOM 661 CA ASN A 51 -8.550 13.908 3.742 1.00 0.00 C ATOM 662 C ASN A 51 -8.077 15.308 4.122 1.00 0.00 C ATOM 663 O ASN A 51 -8.835 16.100 4.682 1.00 0.00 O ATOM 664 CB ASN A 51 -10.082 13.853 3.786 1.00 0.00 C ATOM 665 CG ASN A 51 -10.617 12.454 4.022 1.00 0.00 C ATOM 666 OD1 ASN A 51 -10.790 12.096 5.289 1.00 0.00 O flip ATOM 667 ND2 ASN A 51 -10.873 11.705 3.080 1.00 0.00 N flip ATOM 0 H ASN A 51 -8.647 12.425 5.224 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.217 13.685 2.728 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.441 14.512 4.577 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.481 14.235 2.846 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.725 12.022 2.122 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.233 10.767 3.257 1.00 0.00 H new ATOM 674 N GLY A 52 -6.819 15.607 3.816 1.00 0.00 N ATOM 675 CA GLY A 52 -6.269 16.910 4.137 1.00 0.00 C ATOM 676 C GLY A 52 -4.907 17.149 3.511 1.00 0.00 C ATOM 677 O GLY A 52 -4.540 18.289 3.230 1.00 0.00 O ATOM 0 H GLY A 52 -6.171 14.970 3.352 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.959 17.683 3.799 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.187 17.007 5.220 1.00 0.00 H new ATOM 681 N GLY A 53 -4.151 16.073 3.295 1.00 0.00 N ATOM 682 CA GLY A 53 -2.833 16.208 2.704 1.00 0.00 C ATOM 683 C GLY A 53 -2.751 15.628 1.306 1.00 0.00 C ATOM 684 O GLY A 53 -3.769 15.329 0.685 1.00 0.00 O ATOM 0 H GLY A 53 -4.428 15.117 3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.562 17.263 2.671 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.102 15.711 3.342 1.00 0.00 H new ATOM 688 N ALA A 54 -1.528 15.486 0.814 1.00 0.00 N ATOM 689 CA ALA A 54 -1.282 14.955 -0.522 1.00 0.00 C ATOM 690 C ALA A 54 -2.115 13.716 -0.829 1.00 0.00 C ATOM 691 O ALA A 54 -2.806 13.663 -1.844 1.00 0.00 O ATOM 692 CB ALA A 54 0.194 14.640 -0.682 1.00 0.00 C ATOM 0 H ALA A 54 -0.681 15.734 1.326 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.583 15.723 -1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.375 14.243 -1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.778 15.550 -0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.491 13.900 0.061 1.00 0.00 H new ATOM 698 N ALA A 55 -2.030 12.715 0.037 1.00 0.00 N ATOM 699 CA ALA A 55 -2.770 11.471 -0.170 1.00 0.00 C ATOM 700 C ALA A 55 -4.247 11.742 -0.435 1.00 0.00 C ATOM 701 O ALA A 55 -4.902 11.000 -1.165 1.00 0.00 O ATOM 702 CB ALA A 55 -2.603 10.549 1.025 1.00 0.00 C ATOM 0 H ALA A 55 -1.462 12.736 0.884 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.358 10.979 -1.051 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.160 9.628 0.854 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.547 10.315 1.159 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.982 11.042 1.920 1.00 0.00 H new ATOM 708 N SER A 56 -4.762 12.815 0.151 1.00 0.00 N ATOM 709 CA SER A 56 -6.156 13.189 -0.037 1.00 0.00 C ATOM 710 C SER A 56 -6.355 13.825 -1.403 1.00 0.00 C ATOM 711 O SER A 56 -7.111 13.325 -2.234 1.00 0.00 O ATOM 712 CB SER A 56 -6.592 14.161 1.053 1.00 0.00 C ATOM 713 OG SER A 56 -7.876 14.694 0.779 1.00 0.00 O ATOM 0 H SER A 56 -4.235 13.441 0.760 1.00 0.00 H new ATOM 0 HA SER A 56 -6.766 12.288 0.024 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.605 13.650 2.016 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.868 14.972 1.132 1.00 0.00 H new ATOM 0 HG SER A 56 -8.066 15.427 1.402 1.00 0.00 H new ATOM 719 N LYS A 57 -5.659 14.934 -1.625 1.00 0.00 N ATOM 720 CA LYS A 57 -5.745 15.652 -2.893 1.00 0.00 C ATOM 721 C LYS A 57 -5.344 14.756 -4.064 1.00 0.00 C ATOM 722 O LYS A 57 -5.753 14.989 -5.201 1.00 0.00 O ATOM 723 CB LYS A 57 -4.868 16.910 -2.872 1.00 0.00 C ATOM 724 CG LYS A 57 -3.543 16.740 -2.145 1.00 0.00 C ATOM 725 CD LYS A 57 -3.327 17.845 -1.123 1.00 0.00 C ATOM 726 CE LYS A 57 -1.891 18.347 -1.136 1.00 0.00 C ATOM 727 NZ LYS A 57 -1.347 18.517 0.240 1.00 0.00 N ATOM 0 H LYS A 57 -5.028 15.356 -0.944 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.784 15.952 -3.028 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.668 17.216 -3.899 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.426 17.719 -2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.521 15.771 -1.646 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.726 16.745 -2.867 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.004 18.673 -1.333 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.575 17.475 -0.128 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.267 17.645 -1.689 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.845 19.299 -1.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.919 19.461 0.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.117 18.418 0.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.624 17.791 0.420 1.00 0.00 H new ATOM 741 N ASP A 58 -4.541 13.735 -3.780 1.00 0.00 N ATOM 742 CA ASP A 58 -4.087 12.810 -4.814 1.00 0.00 C ATOM 743 C ASP A 58 -5.271 12.123 -5.492 1.00 0.00 C ATOM 744 O ASP A 58 -5.369 12.101 -6.718 1.00 0.00 O ATOM 745 CB ASP A 58 -3.146 11.762 -4.216 1.00 0.00 C ATOM 746 CG ASP A 58 -1.703 11.985 -4.623 1.00 0.00 C ATOM 747 OD1 ASP A 58 -1.386 13.090 -5.112 1.00 0.00 O ATOM 748 OD2 ASP A 58 -0.888 11.054 -4.456 1.00 0.00 O ATOM 0 H ASP A 58 -4.192 13.527 -2.844 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.546 13.385 -5.566 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.222 11.787 -3.129 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.462 10.769 -4.535 1.00 0.00 H new ATOM 753 N GLY A 59 -6.167 11.569 -4.683 1.00 0.00 N ATOM 754 CA GLY A 59 -7.334 10.893 -5.218 1.00 0.00 C ATOM 755 C GLY A 59 -6.982 9.697 -6.083 1.00 0.00 C ATOM 756 O GLY A 59 -7.768 9.294 -6.943 1.00 0.00 O ATOM 0 H GLY A 59 -6.106 11.576 -3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.967 10.564 -4.393 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.919 11.600 -5.806 1.00 0.00 H new ATOM 760 N ARG A 60 -5.802 9.124 -5.861 1.00 0.00 N ATOM 761 CA ARG A 60 -5.359 7.966 -6.633 1.00 0.00 C ATOM 762 C ARG A 60 -4.904 6.824 -5.722 1.00 0.00 C ATOM 763 O ARG A 60 -4.450 5.785 -6.201 1.00 0.00 O ATOM 764 CB ARG A 60 -4.225 8.361 -7.580 1.00 0.00 C ATOM 765 CG ARG A 60 -2.924 8.699 -6.870 1.00 0.00 C ATOM 766 CD ARG A 60 -2.013 9.539 -7.749 1.00 0.00 C ATOM 767 NE ARG A 60 -2.161 10.965 -7.477 1.00 0.00 N ATOM 768 CZ ARG A 60 -1.540 11.920 -8.167 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.743 11.606 -9.181 1.00 0.00 N ATOM 770 NH2 ARG A 60 -1.720 13.194 -7.845 1.00 0.00 N ATOM 0 H ARG A 60 -5.137 9.441 -5.155 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.209 7.614 -7.217 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.046 7.543 -8.278 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.540 9.221 -8.171 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.141 9.239 -5.948 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.412 7.779 -6.588 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.977 9.243 -7.585 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.238 9.344 -8.797 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.776 11.247 -6.714 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.603 10.628 -9.436 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.270 12.342 -9.705 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.334 13.442 -7.069 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.245 13.926 -8.373 1.00 0.00 H new ATOM 784 N LEU A 61 -5.027 7.020 -4.412 1.00 0.00 N ATOM 785 CA LEU A 61 -4.627 6.002 -3.445 1.00 0.00 C ATOM 786 C LEU A 61 -5.848 5.318 -2.842 1.00 0.00 C ATOM 787 O LEU A 61 -6.462 5.835 -1.908 1.00 0.00 O ATOM 788 CB LEU A 61 -3.781 6.630 -2.335 1.00 0.00 C ATOM 789 CG LEU A 61 -4.260 7.999 -1.862 1.00 0.00 C ATOM 790 CD1 LEU A 61 -3.842 8.237 -0.424 1.00 0.00 C ATOM 791 CD2 LEU A 61 -3.718 9.093 -2.770 1.00 0.00 C ATOM 0 H LEU A 61 -5.400 7.873 -3.996 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.032 5.252 -3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.765 5.952 -1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.754 6.722 -2.688 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.349 8.024 -1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.191 9.218 -0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.279 7.468 0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.755 8.196 -0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.069 10.064 -2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.628 9.073 -2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.068 8.927 -3.789 1.00 0.00 H new ATOM 803 N ARG A 62 -6.198 4.154 -3.378 1.00 0.00 N ATOM 804 CA ARG A 62 -7.348 3.404 -2.888 1.00 0.00 C ATOM 805 C ARG A 62 -7.006 2.670 -1.595 1.00 0.00 C ATOM 806 O ARG A 62 -5.903 2.149 -1.438 1.00 0.00 O ATOM 807 CB ARG A 62 -7.824 2.408 -3.947 1.00 0.00 C ATOM 808 CG ARG A 62 -9.320 2.472 -4.214 1.00 0.00 C ATOM 809 CD ARG A 62 -9.668 3.609 -5.161 1.00 0.00 C ATOM 810 NE ARG A 62 -9.709 4.899 -4.475 1.00 0.00 N ATOM 811 CZ ARG A 62 -9.635 6.073 -5.099 1.00 0.00 C ATOM 812 NH1 ARG A 62 -9.515 6.125 -6.420 1.00 0.00 N ATOM 813 NH2 ARG A 62 -9.679 7.198 -4.399 1.00 0.00 N ATOM 0 H ARG A 62 -5.702 3.710 -4.151 1.00 0.00 H new ATOM 0 HA ARG A 62 -8.151 4.111 -2.681 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.289 2.597 -4.878 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.563 1.399 -3.628 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.656 1.526 -4.640 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.853 2.605 -3.273 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.933 3.649 -5.965 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.636 3.413 -5.623 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.800 4.900 -3.459 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.479 5.262 -6.963 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.459 7.028 -6.892 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.769 7.164 -3.384 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.622 8.098 -4.876 1.00 0.00 H new ATOM 827 N VAL A 63 -7.961 2.638 -0.670 1.00 0.00 N ATOM 828 CA VAL A 63 -7.762 1.972 0.612 1.00 0.00 C ATOM 829 C VAL A 63 -7.779 0.453 0.456 1.00 0.00 C ATOM 830 O VAL A 63 -8.723 -0.212 0.883 1.00 0.00 O ATOM 831 CB VAL A 63 -8.841 2.388 1.630 1.00 0.00 C ATOM 832 CG1 VAL A 63 -8.510 1.845 3.011 1.00 0.00 C ATOM 833 CG2 VAL A 63 -8.991 3.900 1.665 1.00 0.00 C ATOM 0 H VAL A 63 -8.880 3.066 -0.785 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.784 2.281 0.982 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.793 1.961 1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.283 2.149 3.716 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.462 0.757 2.972 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.547 2.239 3.336 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.758 4.173 2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.042 4.353 1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.281 4.260 0.678 1.00 0.00 H new ATOM 843 N ASN A 64 -6.729 -0.094 -0.156 1.00 0.00 N ATOM 844 CA ASN A 64 -6.625 -1.541 -0.366 1.00 0.00 C ATOM 845 C ASN A 64 -5.476 -1.897 -1.311 1.00 0.00 C ATOM 846 O ASN A 64 -5.008 -3.037 -1.324 1.00 0.00 O ATOM 847 CB ASN A 64 -7.937 -2.102 -0.923 1.00 0.00 C ATOM 848 CG ASN A 64 -8.542 -1.213 -1.992 1.00 0.00 C ATOM 849 OD1 ASN A 64 -8.123 -1.238 -3.148 1.00 0.00 O ATOM 850 ND2 ASN A 64 -9.534 -0.420 -1.606 1.00 0.00 N ATOM 0 H ASN A 64 -5.938 0.441 -0.515 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.421 -1.991 0.606 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.757 -3.093 -1.339 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.651 -2.223 -0.109 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.981 0.202 -2.279 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.849 -0.433 -0.636 1.00 0.00 H new ATOM 857 N ASP A 65 -5.028 -0.929 -2.108 1.00 0.00 N ATOM 858 CA ASP A 65 -3.944 -1.157 -3.058 1.00 0.00 C ATOM 859 C ASP A 65 -2.690 -1.662 -2.352 1.00 0.00 C ATOM 860 O ASP A 65 -2.425 -1.302 -1.203 1.00 0.00 O ATOM 861 CB ASP A 65 -3.634 0.129 -3.826 1.00 0.00 C ATOM 862 CG ASP A 65 -3.828 -0.031 -5.323 1.00 0.00 C ATOM 863 OD1 ASP A 65 -2.876 -0.470 -6.001 1.00 0.00 O ATOM 864 OD2 ASP A 65 -4.932 0.283 -5.816 1.00 0.00 O ATOM 0 H ASP A 65 -5.400 0.021 -2.114 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.269 -1.923 -3.762 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.277 0.930 -3.462 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.606 0.430 -3.626 1.00 0.00 H new ATOM 869 N GLN A 66 -1.924 -2.498 -3.051 1.00 0.00 N ATOM 870 CA GLN A 66 -0.696 -3.058 -2.498 1.00 0.00 C ATOM 871 C GLN A 66 0.514 -2.223 -2.905 1.00 0.00 C ATOM 872 O GLN A 66 0.701 -1.919 -4.082 1.00 0.00 O ATOM 873 CB GLN A 66 -0.515 -4.502 -2.972 1.00 0.00 C ATOM 874 CG GLN A 66 0.206 -5.389 -1.969 1.00 0.00 C ATOM 875 CD GLN A 66 1.610 -4.904 -1.665 1.00 0.00 C ATOM 876 OE1 GLN A 66 2.581 -5.384 -2.433 1.00 0.00 O flip ATOM 877 NE2 GLN A 66 1.820 -4.109 -0.750 1.00 0.00 N flip ATOM 0 H GLN A 66 -2.134 -2.802 -4.002 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.775 -3.044 -1.411 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.494 -4.931 -3.185 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.042 -4.500 -3.909 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.369 -5.427 -1.044 1.00 0.00 H new ATOM 0 HG3 GLN A 66 0.253 -6.406 -2.357 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.044 -3.766 -0.185 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.770 -3.793 -0.557 1.00 0.00 H new ATOM 886 N LEU A 67 1.333 -1.856 -1.926 1.00 0.00 N ATOM 887 CA LEU A 67 2.525 -1.057 -2.189 1.00 0.00 C ATOM 888 C LEU A 67 3.641 -1.920 -2.768 1.00 0.00 C ATOM 889 O LEU A 67 3.801 -3.080 -2.391 1.00 0.00 O ATOM 890 CB LEU A 67 3.002 -0.378 -0.905 1.00 0.00 C ATOM 891 CG LEU A 67 2.013 0.617 -0.295 1.00 0.00 C ATOM 892 CD1 LEU A 67 2.365 0.899 1.157 1.00 0.00 C ATOM 893 CD2 LEU A 67 1.992 1.907 -1.101 1.00 0.00 C ATOM 0 H LEU A 67 1.194 -2.098 -0.945 1.00 0.00 H new ATOM 0 HA LEU A 67 2.266 -0.292 -2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.223 -1.147 -0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.937 0.143 -1.113 1.00 0.00 H new ATOM 0 HG LEU A 67 1.017 0.175 -0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.650 1.609 1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.329 -0.029 1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.369 1.320 1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.283 2.604 -0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.987 2.352 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.690 1.691 -2.126 1.00 0.00 H new ATOM 905 N ILE A 68 4.409 -1.345 -3.688 1.00 0.00 N ATOM 906 CA ILE A 68 5.507 -2.064 -4.322 1.00 0.00 C ATOM 907 C ILE A 68 6.789 -1.234 -4.320 1.00 0.00 C ATOM 908 O ILE A 68 7.873 -1.754 -4.056 1.00 0.00 O ATOM 909 CB ILE A 68 5.165 -2.450 -5.772 1.00 0.00 C ATOM 910 CG1 ILE A 68 3.784 -3.104 -5.838 1.00 0.00 C ATOM 911 CG2 ILE A 68 6.227 -3.381 -6.339 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.704 -4.421 -5.095 1.00 0.00 C ATOM 0 H ILE A 68 4.291 -0.385 -4.010 1.00 0.00 H new ATOM 0 HA ILE A 68 5.664 -2.971 -3.738 1.00 0.00 H new ATOM 0 HB ILE A 68 5.145 -1.544 -6.377 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.045 -2.417 -5.425 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.518 -3.268 -6.882 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.970 -3.644 -7.365 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.195 -2.880 -6.325 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.278 -4.286 -5.734 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.697 -4.828 -5.184 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.419 -5.124 -5.523 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.939 -4.260 -4.043 1.00 0.00 H new ATOM 924 N ALA A 69 6.660 0.054 -4.620 1.00 0.00 N ATOM 925 CA ALA A 69 7.813 0.947 -4.654 1.00 0.00 C ATOM 926 C ALA A 69 7.441 2.350 -4.188 1.00 0.00 C ATOM 927 O ALA A 69 6.263 2.702 -4.121 1.00 0.00 O ATOM 928 CB ALA A 69 8.397 0.993 -6.058 1.00 0.00 C ATOM 0 H ALA A 69 5.771 0.502 -4.843 1.00 0.00 H new ATOM 0 HA ALA A 69 8.564 0.556 -3.968 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.257 1.662 -6.073 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.711 -0.008 -6.354 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.642 1.357 -6.754 1.00 0.00 H new ATOM 934 N VAL A 70 8.455 3.146 -3.868 1.00 0.00 N ATOM 935 CA VAL A 70 8.236 4.515 -3.410 1.00 0.00 C ATOM 936 C VAL A 70 9.475 5.378 -3.633 1.00 0.00 C ATOM 937 O VAL A 70 10.532 5.129 -3.052 1.00 0.00 O ATOM 938 CB VAL A 70 7.852 4.552 -1.916 1.00 0.00 C ATOM 939 CG1 VAL A 70 8.950 3.939 -1.062 1.00 0.00 C ATOM 940 CG2 VAL A 70 7.550 5.976 -1.469 1.00 0.00 C ATOM 0 H VAL A 70 9.435 2.869 -3.917 1.00 0.00 H new ATOM 0 HA VAL A 70 7.411 4.918 -3.998 1.00 0.00 H new ATOM 0 HB VAL A 70 6.948 3.958 -1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.658 3.976 -0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.106 2.902 -1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.875 4.499 -1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.282 5.977 -0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.431 6.599 -1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.720 6.373 -2.054 1.00 0.00 H new ATOM 950 N ASN A 71 9.335 6.395 -4.481 1.00 0.00 N ATOM 951 CA ASN A 71 10.442 7.301 -4.788 1.00 0.00 C ATOM 952 C ASN A 71 11.656 6.527 -5.288 1.00 0.00 C ATOM 953 O ASN A 71 12.796 6.870 -4.973 1.00 0.00 O ATOM 954 CB ASN A 71 10.820 8.117 -3.552 1.00 0.00 C ATOM 955 CG ASN A 71 9.610 8.680 -2.833 1.00 0.00 C ATOM 956 OD1 ASN A 71 8.822 9.427 -3.411 1.00 0.00 O ATOM 957 ND2 ASN A 71 9.459 8.321 -1.565 1.00 0.00 N ATOM 0 H ASN A 71 8.466 6.613 -4.968 1.00 0.00 H new ATOM 0 HA ASN A 71 10.114 7.978 -5.576 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.386 7.488 -2.865 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.476 8.936 -3.848 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.664 8.667 -1.028 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.138 7.699 -1.127 1.00 0.00 H new ATOM 964 N GLY A 72 11.406 5.478 -6.064 1.00 0.00 N ATOM 965 CA GLY A 72 12.491 4.672 -6.587 1.00 0.00 C ATOM 966 C GLY A 72 12.832 3.502 -5.685 1.00 0.00 C ATOM 967 O GLY A 72 13.494 2.554 -6.111 1.00 0.00 O ATOM 0 H GLY A 72 10.473 5.173 -6.339 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.219 4.298 -7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.375 5.297 -6.715 1.00 0.00 H new ATOM 971 N GLU A 73 12.378 3.562 -4.436 1.00 0.00 N ATOM 972 CA GLU A 73 12.638 2.497 -3.478 1.00 0.00 C ATOM 973 C GLU A 73 11.779 1.279 -3.792 1.00 0.00 C ATOM 974 O GLU A 73 10.605 1.409 -4.136 1.00 0.00 O ATOM 975 CB GLU A 73 12.360 2.979 -2.053 1.00 0.00 C ATOM 976 CG GLU A 73 13.264 2.344 -1.009 1.00 0.00 C ATOM 977 CD GLU A 73 14.238 3.333 -0.400 1.00 0.00 C ATOM 978 OE1 GLU A 73 13.810 4.142 0.449 1.00 0.00 O ATOM 979 OE2 GLU A 73 15.431 3.299 -0.775 1.00 0.00 O ATOM 0 H GLU A 73 11.829 4.338 -4.066 1.00 0.00 H new ATOM 0 HA GLU A 73 13.688 2.216 -3.555 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.479 4.062 -2.015 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.321 2.764 -1.802 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.651 1.910 -0.219 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.821 1.526 -1.466 1.00 0.00 H new ATOM 986 N SER A 74 12.371 0.096 -3.680 1.00 0.00 N ATOM 987 CA SER A 74 11.656 -1.141 -3.959 1.00 0.00 C ATOM 988 C SER A 74 11.226 -1.833 -2.670 1.00 0.00 C ATOM 989 O SER A 74 12.009 -2.541 -2.038 1.00 0.00 O ATOM 990 CB SER A 74 12.526 -2.078 -4.795 1.00 0.00 C ATOM 991 OG SER A 74 13.514 -2.707 -3.997 1.00 0.00 O ATOM 0 H SER A 74 13.343 -0.032 -3.398 1.00 0.00 H new ATOM 0 HA SER A 74 10.758 -0.890 -4.524 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.900 -2.835 -5.267 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.006 -1.515 -5.596 1.00 0.00 H new ATOM 0 HG SER A 74 13.085 -3.160 -3.242 1.00 0.00 H new ATOM 997 N LEU A 75 9.969 -1.625 -2.293 1.00 0.00 N ATOM 998 CA LEU A 75 9.419 -2.229 -1.085 1.00 0.00 C ATOM 999 C LEU A 75 9.488 -3.753 -1.156 1.00 0.00 C ATOM 1000 O LEU A 75 9.437 -4.434 -0.132 1.00 0.00 O ATOM 1001 CB LEU A 75 7.969 -1.783 -0.893 1.00 0.00 C ATOM 1002 CG LEU A 75 7.790 -0.397 -0.272 1.00 0.00 C ATOM 1003 CD1 LEU A 75 6.352 0.072 -0.428 1.00 0.00 C ATOM 1004 CD2 LEU A 75 8.193 -0.415 1.194 1.00 0.00 C ATOM 0 H LEU A 75 9.310 -1.041 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 75 10.016 -1.898 -0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.470 -1.796 -1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.461 -2.514 -0.263 1.00 0.00 H new ATOM 0 HG LEU A 75 8.439 0.305 -0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.241 1.060 0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.099 0.122 -1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.684 -0.630 0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.059 0.579 1.620 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.570 -1.128 1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.239 -0.709 1.280 1.00 0.00 H new ATOM 1016 N LEU A 76 9.602 -4.286 -2.372 1.00 0.00 N ATOM 1017 CA LEU A 76 9.676 -5.730 -2.572 1.00 0.00 C ATOM 1018 C LEU A 76 10.750 -6.352 -1.683 1.00 0.00 C ATOM 1019 O LEU A 76 11.887 -5.884 -1.647 1.00 0.00 O ATOM 1020 CB LEU A 76 9.968 -6.048 -4.040 1.00 0.00 C ATOM 1021 CG LEU A 76 8.801 -5.806 -4.999 1.00 0.00 C ATOM 1022 CD1 LEU A 76 9.227 -6.070 -6.434 1.00 0.00 C ATOM 1023 CD2 LEU A 76 7.614 -6.680 -4.624 1.00 0.00 C ATOM 0 H LEU A 76 9.645 -3.739 -3.232 1.00 0.00 H new ATOM 0 HA LEU A 76 8.712 -6.158 -2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.816 -5.445 -4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.271 -7.092 -4.117 1.00 0.00 H new ATOM 0 HG LEU A 76 8.498 -4.762 -4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.384 -5.893 -7.102 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.047 -5.402 -6.699 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.556 -7.105 -6.531 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.793 -6.495 -5.316 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.904 -7.729 -4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.294 -6.443 -3.610 1.00 0.00 H new ATOM 1035 N GLY A 77 10.377 -7.407 -0.966 1.00 0.00 N ATOM 1036 CA GLY A 77 11.317 -8.073 -0.086 1.00 0.00 C ATOM 1037 C GLY A 77 11.197 -7.601 1.350 1.00 0.00 C ATOM 1038 O GLY A 77 11.515 -8.341 2.282 1.00 0.00 O ATOM 0 H GLY A 77 9.441 -7.812 -0.979 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.149 -9.149 -0.127 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.332 -7.895 -0.441 1.00 0.00 H new ATOM 1042 N LYS A 78 10.736 -6.367 1.528 1.00 0.00 N ATOM 1043 CA LYS A 78 10.573 -5.797 2.861 1.00 0.00 C ATOM 1044 C LYS A 78 9.298 -6.296 3.516 1.00 0.00 C ATOM 1045 O LYS A 78 8.230 -6.309 2.904 1.00 0.00 O ATOM 1046 CB LYS A 78 10.551 -4.271 2.794 1.00 0.00 C ATOM 1047 CG LYS A 78 11.920 -3.656 2.574 1.00 0.00 C ATOM 1048 CD LYS A 78 11.967 -2.207 3.020 1.00 0.00 C ATOM 1049 CE LYS A 78 10.958 -1.365 2.271 1.00 0.00 C ATOM 1050 NZ LYS A 78 11.545 -0.749 1.051 1.00 0.00 N ATOM 0 H LYS A 78 10.469 -5.743 0.767 1.00 0.00 H new ATOM 0 HA LYS A 78 11.423 -6.117 3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.888 -3.960 1.987 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.130 -3.880 3.721 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.668 -4.229 3.122 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.181 -3.719 1.518 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.769 -2.148 4.090 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.968 -1.807 2.858 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.106 -1.984 1.991 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.581 -0.581 2.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.782 -0.474 0.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.093 0.094 1.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.170 -1.435 0.582 1.00 0.00 H new ATOM 1064 N ALA A 79 9.420 -6.688 4.773 1.00 0.00 N ATOM 1065 CA ALA A 79 8.284 -7.170 5.532 1.00 0.00 C ATOM 1066 C ALA A 79 7.346 -6.016 5.846 1.00 0.00 C ATOM 1067 O ALA A 79 7.496 -4.920 5.304 1.00 0.00 O ATOM 1068 CB ALA A 79 8.753 -7.847 6.810 1.00 0.00 C ATOM 0 H ALA A 79 10.300 -6.681 5.289 1.00 0.00 H new ATOM 0 HA ALA A 79 7.743 -7.906 4.937 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.889 -8.204 7.371 1.00 0.00 H new ATOM 0 HB2 ALA A 79 9.397 -8.690 6.560 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.309 -7.133 7.417 1.00 0.00 H new ATOM 1074 N ASN A 80 6.382 -6.261 6.716 1.00 0.00 N ATOM 1075 CA ASN A 80 5.429 -5.227 7.089 1.00 0.00 C ATOM 1076 C ASN A 80 6.145 -4.007 7.666 1.00 0.00 C ATOM 1077 O ASN A 80 5.956 -2.889 7.193 1.00 0.00 O ATOM 1078 CB ASN A 80 4.416 -5.766 8.104 1.00 0.00 C ATOM 1079 CG ASN A 80 3.956 -7.180 7.792 1.00 0.00 C ATOM 1080 OD1 ASN A 80 3.697 -7.973 8.698 1.00 0.00 O ATOM 1081 ND2 ASN A 80 3.849 -7.505 6.508 1.00 0.00 N ATOM 0 H ASN A 80 6.238 -7.160 7.176 1.00 0.00 H new ATOM 0 HA ASN A 80 4.897 -4.923 6.187 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.861 -5.746 9.099 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.549 -5.105 8.130 1.00 0.00 H new ATOM 0 HD21 ASN A 80 3.543 -8.441 6.243 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.073 -6.818 5.788 1.00 0.00 H new ATOM 1088 N GLN A 81 6.954 -4.230 8.699 1.00 0.00 N ATOM 1089 CA GLN A 81 7.680 -3.144 9.355 1.00 0.00 C ATOM 1090 C GLN A 81 8.780 -2.553 8.467 1.00 0.00 C ATOM 1091 O GLN A 81 9.050 -1.354 8.531 1.00 0.00 O ATOM 1092 CB GLN A 81 8.256 -3.619 10.694 1.00 0.00 C ATOM 1093 CG GLN A 81 9.573 -4.365 10.582 1.00 0.00 C ATOM 1094 CD GLN A 81 9.400 -5.789 10.097 1.00 0.00 C ATOM 1095 OE1 GLN A 81 10.170 -6.161 9.084 1.00 0.00 O flip ATOM 1096 NE2 GLN A 81 8.585 -6.545 10.627 1.00 0.00 N flip ATOM 0 H GLN A 81 7.124 -5.152 9.100 1.00 0.00 H new ATOM 0 HA GLN A 81 6.964 -2.344 9.541 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.397 -2.754 11.342 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.526 -4.266 11.180 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.231 -3.830 9.898 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.064 -4.374 11.555 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.013 -6.215 11.405 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.482 -7.502 10.288 1.00 0.00 H new ATOM 1105 N GLU A 82 9.413 -3.384 7.642 1.00 0.00 N ATOM 1106 CA GLU A 82 10.470 -2.906 6.761 1.00 0.00 C ATOM 1107 C GLU A 82 9.894 -1.957 5.725 1.00 0.00 C ATOM 1108 O GLU A 82 10.417 -0.866 5.497 1.00 0.00 O ATOM 1109 CB GLU A 82 11.156 -4.079 6.059 1.00 0.00 C ATOM 1110 CG GLU A 82 12.203 -4.767 6.912 1.00 0.00 C ATOM 1111 CD GLU A 82 13.601 -4.644 6.337 1.00 0.00 C ATOM 1112 OE1 GLU A 82 13.850 -5.209 5.251 1.00 0.00 O ATOM 1113 OE2 GLU A 82 14.448 -3.982 6.975 1.00 0.00 O ATOM 0 H GLU A 82 9.214 -4.381 7.567 1.00 0.00 H new ATOM 0 HA GLU A 82 11.208 -2.377 7.364 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.401 -4.809 5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.624 -3.720 5.143 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.188 -4.338 7.914 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.948 -5.822 7.013 1.00 0.00 H new ATOM 1120 N ALA A 83 8.795 -2.380 5.118 1.00 0.00 N ATOM 1121 CA ALA A 83 8.119 -1.574 4.120 1.00 0.00 C ATOM 1122 C ALA A 83 7.479 -0.366 4.780 1.00 0.00 C ATOM 1123 O ALA A 83 7.400 0.713 4.194 1.00 0.00 O ATOM 1124 CB ALA A 83 7.078 -2.401 3.388 1.00 0.00 C ATOM 0 H ALA A 83 8.353 -3.281 5.302 1.00 0.00 H new ATOM 0 HA ALA A 83 8.850 -1.226 3.390 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.580 -1.781 2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.563 -3.243 2.894 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.342 -2.773 4.101 1.00 0.00 H new ATOM 1130 N MET A 84 7.036 -0.561 6.015 1.00 0.00 N ATOM 1131 CA MET A 84 6.415 0.513 6.775 1.00 0.00 C ATOM 1132 C MET A 84 7.445 1.579 7.119 1.00 0.00 C ATOM 1133 O MET A 84 7.111 2.751 7.296 1.00 0.00 O ATOM 1134 CB MET A 84 5.766 -0.017 8.048 1.00 0.00 C ATOM 1135 CG MET A 84 4.250 0.014 7.983 1.00 0.00 C ATOM 1136 SD MET A 84 3.479 -0.815 9.379 1.00 0.00 S ATOM 1137 CE MET A 84 3.985 -2.492 9.045 1.00 0.00 C ATOM 0 H MET A 84 7.095 -1.451 6.510 1.00 0.00 H new ATOM 0 HA MET A 84 5.636 0.956 6.155 1.00 0.00 H new ATOM 0 HB2 MET A 84 6.098 -1.040 8.223 1.00 0.00 H new ATOM 0 HB3 MET A 84 6.102 0.577 8.898 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.913 1.050 7.950 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.920 -0.459 7.058 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.331 -3.182 9.577 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.921 -2.685 7.974 1.00 0.00 H new ATOM 0 HE3 MET A 84 5.013 -2.635 9.379 1.00 0.00 H new ATOM 1147 N GLU A 85 8.706 1.161 7.197 1.00 0.00 N ATOM 1148 CA GLU A 85 9.793 2.077 7.502 1.00 0.00 C ATOM 1149 C GLU A 85 10.133 2.890 6.277 1.00 0.00 C ATOM 1150 O GLU A 85 10.371 4.083 6.369 1.00 0.00 O ATOM 1151 CB GLU A 85 11.033 1.312 7.964 1.00 0.00 C ATOM 1152 CG GLU A 85 11.103 1.105 9.462 1.00 0.00 C ATOM 1153 CD GLU A 85 10.939 2.396 10.243 1.00 0.00 C ATOM 1154 OE1 GLU A 85 11.962 3.064 10.505 1.00 0.00 O ATOM 1155 OE2 GLU A 85 9.790 2.738 10.591 1.00 0.00 O ATOM 0 H GLU A 85 8.996 0.194 7.053 1.00 0.00 H new ATOM 0 HA GLU A 85 9.470 2.738 8.306 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.053 0.340 7.471 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.923 1.852 7.640 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.326 0.402 9.764 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.060 0.651 9.717 1.00 0.00 H new ATOM 1162 N THR A 86 10.149 2.228 5.127 1.00 0.00 N ATOM 1163 CA THR A 86 10.450 2.891 3.870 1.00 0.00 C ATOM 1164 C THR A 86 9.430 3.993 3.615 1.00 0.00 C ATOM 1165 O THR A 86 9.782 5.101 3.208 1.00 0.00 O ATOM 1166 CB THR A 86 10.448 1.869 2.727 1.00 0.00 C ATOM 1167 OG1 THR A 86 11.736 1.309 2.560 1.00 0.00 O ATOM 1168 CG2 THR A 86 10.022 2.437 1.389 1.00 0.00 C ATOM 0 H THR A 86 9.956 1.230 5.042 1.00 0.00 H new ATOM 0 HA THR A 86 11.441 3.342 3.924 1.00 0.00 H new ATOM 0 HB THR A 86 9.715 1.119 3.024 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.252 1.857 1.933 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.048 1.650 0.635 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.009 2.832 1.467 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.702 3.238 1.101 1.00 0.00 H new ATOM 1176 N LEU A 87 8.168 3.687 3.890 1.00 0.00 N ATOM 1177 CA LEU A 87 7.101 4.658 3.724 1.00 0.00 C ATOM 1178 C LEU A 87 7.276 5.750 4.760 1.00 0.00 C ATOM 1179 O LEU A 87 7.392 6.926 4.425 1.00 0.00 O ATOM 1180 CB LEU A 87 5.734 3.989 3.876 1.00 0.00 C ATOM 1181 CG LEU A 87 5.458 2.856 2.887 1.00 0.00 C ATOM 1182 CD1 LEU A 87 4.590 1.786 3.529 1.00 0.00 C ATOM 1183 CD2 LEU A 87 4.798 3.400 1.629 1.00 0.00 C ATOM 0 H LEU A 87 7.862 2.775 4.228 1.00 0.00 H new ATOM 0 HA LEU A 87 7.150 5.088 2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.649 3.596 4.889 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.960 4.748 3.762 1.00 0.00 H new ATOM 0 HG LEU A 87 6.408 2.401 2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.404 0.988 2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.101 1.377 4.401 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.641 2.224 3.838 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.608 2.581 0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.855 3.880 1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.457 4.129 1.158 1.00 0.00 H new ATOM 1195 N ARG A 88 7.343 5.341 6.022 1.00 0.00 N ATOM 1196 CA ARG A 88 7.555 6.276 7.116 1.00 0.00 C ATOM 1197 C ARG A 88 8.825 7.076 6.861 1.00 0.00 C ATOM 1198 O ARG A 88 8.946 8.237 7.256 1.00 0.00 O ATOM 1199 CB ARG A 88 7.663 5.528 8.446 1.00 0.00 C ATOM 1200 CG ARG A 88 6.353 4.908 8.902 1.00 0.00 C ATOM 1201 CD ARG A 88 6.582 3.836 9.955 1.00 0.00 C ATOM 1202 NE ARG A 88 5.548 3.852 10.987 1.00 0.00 N ATOM 1203 CZ ARG A 88 5.630 3.178 12.133 1.00 0.00 C ATOM 1204 NH1 ARG A 88 6.700 2.436 12.396 1.00 0.00 N ATOM 1205 NH2 ARG A 88 4.645 3.246 13.015 1.00 0.00 N ATOM 0 H ARG A 88 7.253 4.367 6.311 1.00 0.00 H new ATOM 0 HA ARG A 88 6.704 6.955 7.172 1.00 0.00 H new ATOM 0 HB2 ARG A 88 8.414 4.743 8.352 1.00 0.00 H new ATOM 0 HB3 ARG A 88 8.016 6.217 9.213 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.703 5.684 9.306 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.837 4.474 8.046 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.602 2.857 9.477 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.558 3.985 10.417 1.00 0.00 H new ATOM 0 HE ARG A 88 4.713 4.413 10.820 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.462 2.381 11.720 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.760 1.921 13.274 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.822 3.815 12.817 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.709 2.729 13.892 1.00 0.00 H new ATOM 1219 N ARG A 89 9.763 6.436 6.168 1.00 0.00 N ATOM 1220 CA ARG A 89 11.027 7.060 5.822 1.00 0.00 C ATOM 1221 C ARG A 89 10.805 8.100 4.741 1.00 0.00 C ATOM 1222 O ARG A 89 11.338 9.208 4.805 1.00 0.00 O ATOM 1223 CB ARG A 89 12.031 6.003 5.346 1.00 0.00 C ATOM 1224 CG ARG A 89 13.222 5.848 6.269 1.00 0.00 C ATOM 1225 CD ARG A 89 14.386 5.172 5.566 1.00 0.00 C ATOM 1226 NE ARG A 89 15.675 5.585 6.118 1.00 0.00 N ATOM 1227 CZ ARG A 89 16.184 5.103 7.249 1.00 0.00 C ATOM 1228 NH1 ARG A 89 15.518 4.196 7.953 1.00 0.00 N ATOM 1229 NH2 ARG A 89 17.363 5.532 7.680 1.00 0.00 N ATOM 0 H ARG A 89 9.665 5.477 5.835 1.00 0.00 H new ATOM 0 HA ARG A 89 11.436 7.548 6.707 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.522 5.043 5.257 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.384 6.270 4.350 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.533 6.828 6.631 1.00 0.00 H new ATOM 0 HG3 ARG A 89 12.933 5.263 7.142 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.284 4.090 5.654 1.00 0.00 H new ATOM 0 HD3 ARG A 89 14.354 5.409 4.503 1.00 0.00 H new ATOM 0 HE ARG A 89 16.215 6.283 5.607 1.00 0.00 H new ATOM 0 HH11 ARG A 89 14.610 3.864 7.628 1.00 0.00 H new ATOM 0 HH12 ARG A 89 15.914 3.831 8.819 1.00 0.00 H new ATOM 0 HH21 ARG A 89 17.878 6.231 7.145 1.00 0.00 H new ATOM 0 HH22 ARG A 89 17.754 5.163 8.547 1.00 0.00 H new ATOM 1243 N SER A 90 9.999 7.735 3.751 1.00 0.00 N ATOM 1244 CA SER A 90 9.686 8.633 2.655 1.00 0.00 C ATOM 1245 C SER A 90 8.910 9.837 3.168 1.00 0.00 C ATOM 1246 O SER A 90 9.210 10.980 2.824 1.00 0.00 O ATOM 1247 CB SER A 90 8.881 7.904 1.579 1.00 0.00 C ATOM 1248 OG SER A 90 9.693 6.985 0.864 1.00 0.00 O ATOM 0 H SER A 90 9.551 6.821 3.688 1.00 0.00 H new ATOM 0 HA SER A 90 10.620 8.979 2.213 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.048 7.374 2.041 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.453 8.630 0.887 1.00 0.00 H new ATOM 0 HG SER A 90 10.637 7.221 0.982 1.00 0.00 H new ATOM 1254 N MET A 91 7.920 9.571 4.012 1.00 0.00 N ATOM 1255 CA MET A 91 7.110 10.628 4.598 1.00 0.00 C ATOM 1256 C MET A 91 7.932 11.422 5.611 1.00 0.00 C ATOM 1257 O MET A 91 7.582 12.547 5.966 1.00 0.00 O ATOM 1258 CB MET A 91 5.875 10.043 5.294 1.00 0.00 C ATOM 1259 CG MET A 91 5.105 9.024 4.465 1.00 0.00 C ATOM 1260 SD MET A 91 4.917 9.504 2.738 1.00 0.00 S ATOM 1261 CE MET A 91 4.367 7.955 2.028 1.00 0.00 C ATOM 0 H MET A 91 7.660 8.629 4.305 1.00 0.00 H new ATOM 0 HA MET A 91 6.784 11.289 3.795 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.188 9.572 6.226 1.00 0.00 H new ATOM 0 HB3 MET A 91 5.203 10.859 5.559 1.00 0.00 H new ATOM 0 HG2 MET A 91 5.619 8.064 4.514 1.00 0.00 H new ATOM 0 HG3 MET A 91 4.118 8.880 4.904 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.003 8.128 1.015 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.200 7.252 1.999 1.00 0.00 H new ATOM 0 HE3 MET A 91 3.563 7.541 2.637 1.00 0.00 H new ATOM 1271 N SER A 92 9.019 10.815 6.083 1.00 0.00 N ATOM 1272 CA SER A 92 9.885 11.448 7.068 1.00 0.00 C ATOM 1273 C SER A 92 10.880 12.406 6.423 1.00 0.00 C ATOM 1274 O SER A 92 10.955 13.576 6.798 1.00 0.00 O ATOM 1275 CB SER A 92 10.637 10.384 7.869 1.00 0.00 C ATOM 1276 OG SER A 92 11.666 10.967 8.652 1.00 0.00 O ATOM 0 H SER A 92 9.319 9.883 5.797 1.00 0.00 H new ATOM 0 HA SER A 92 9.248 12.029 7.735 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.940 9.852 8.517 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.066 9.648 7.189 1.00 0.00 H new ATOM 0 HG SER A 92 12.131 10.266 9.156 1.00 0.00 H new ATOM 1282 N THR A 93 11.656 11.906 5.466 1.00 0.00 N ATOM 1283 CA THR A 93 12.655 12.736 4.797 1.00 0.00 C ATOM 1284 C THR A 93 13.377 11.979 3.682 1.00 0.00 C ATOM 1285 O THR A 93 14.451 11.414 3.891 1.00 0.00 O ATOM 1286 CB THR A 93 13.677 13.224 5.817 1.00 0.00 C ATOM 1287 OG1 THR A 93 14.639 14.064 5.205 1.00 0.00 O ATOM 1288 CG2 THR A 93 14.412 12.089 6.489 1.00 0.00 C ATOM 0 H THR A 93 11.615 10.941 5.138 1.00 0.00 H new ATOM 0 HA THR A 93 12.134 13.580 4.345 1.00 0.00 H new ATOM 0 HB THR A 93 13.109 13.772 6.569 1.00 0.00 H new ATOM 0 HG1 THR A 93 15.284 14.367 5.878 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.127 12.492 7.206 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.698 11.451 7.009 1.00 0.00 H new ATOM 0 HG23 THR A 93 14.942 11.503 5.738 1.00 0.00 H new ATOM 1296 N GLU A 94 12.790 11.993 2.494 1.00 0.00 N ATOM 1297 CA GLU A 94 13.371 11.335 1.323 1.00 0.00 C ATOM 1298 C GLU A 94 12.328 11.255 0.223 1.00 0.00 C ATOM 1299 O GLU A 94 12.642 11.374 -0.961 1.00 0.00 O ATOM 1300 CB GLU A 94 13.907 9.936 1.658 1.00 0.00 C ATOM 1301 CG GLU A 94 13.125 9.209 2.737 1.00 0.00 C ATOM 1302 CD GLU A 94 12.994 7.725 2.455 1.00 0.00 C ATOM 1303 OE1 GLU A 94 13.888 6.960 2.871 1.00 0.00 O ATOM 1304 OE2 GLU A 94 11.997 7.326 1.816 1.00 0.00 O ATOM 0 H GLU A 94 11.901 12.458 2.310 1.00 0.00 H new ATOM 0 HA GLU A 94 14.220 11.929 0.984 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.901 9.331 0.751 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.946 10.024 1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.619 9.351 3.698 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.131 9.649 2.821 1.00 0.00 H new ATOM 1311 N GLY A 95 11.077 11.093 0.632 1.00 0.00 N ATOM 1312 CA GLY A 95 9.988 11.048 -0.318 1.00 0.00 C ATOM 1313 C GLY A 95 9.610 12.446 -0.744 1.00 0.00 C ATOM 1314 O GLY A 95 9.274 12.686 -1.901 1.00 0.00 O ATOM 0 H GLY A 95 10.798 10.992 1.608 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.279 10.461 -1.189 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.127 10.551 0.128 1.00 0.00 H new ATOM 1318 N ASN A 96 9.698 13.374 0.206 1.00 0.00 N ATOM 1319 CA ASN A 96 9.397 14.776 -0.046 1.00 0.00 C ATOM 1320 C ASN A 96 10.587 15.434 -0.750 1.00 0.00 C ATOM 1321 O ASN A 96 10.774 15.255 -1.951 1.00 0.00 O ATOM 1322 CB ASN A 96 9.074 15.482 1.280 1.00 0.00 C ATOM 1323 CG ASN A 96 8.883 16.981 1.131 1.00 0.00 C ATOM 1324 OD1 ASN A 96 8.294 17.400 0.020 1.00 0.00 O flip ATOM 1325 ND2 ASN A 96 9.265 17.754 2.009 1.00 0.00 N flip ATOM 0 H ASN A 96 9.979 13.174 1.166 1.00 0.00 H new ATOM 0 HA ASN A 96 8.525 14.859 -0.695 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.169 15.048 1.704 1.00 0.00 H new ATOM 0 HB3 ASN A 96 9.880 15.294 1.989 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.714 17.390 2.849 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.133 18.759 1.897 1.00 0.00 H new ATOM 1332 N LYS A 97 11.406 16.170 0.000 1.00 0.00 N ATOM 1333 CA LYS A 97 12.590 16.820 -0.558 1.00 0.00 C ATOM 1334 C LYS A 97 12.289 17.560 -1.863 1.00 0.00 C ATOM 1335 O LYS A 97 13.198 17.837 -2.645 1.00 0.00 O ATOM 1336 CB LYS A 97 13.683 15.777 -0.799 1.00 0.00 C ATOM 1337 CG LYS A 97 14.404 15.329 0.466 1.00 0.00 C ATOM 1338 CD LYS A 97 13.434 14.829 1.525 1.00 0.00 C ATOM 1339 CE LYS A 97 13.103 15.918 2.536 1.00 0.00 C ATOM 1340 NZ LYS A 97 11.840 15.632 3.270 1.00 0.00 N ATOM 0 H LYS A 97 11.270 16.331 0.998 1.00 0.00 H new ATOM 0 HA LYS A 97 12.927 17.561 0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.239 14.905 -1.279 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.414 16.187 -1.496 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.112 14.538 0.219 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.983 16.161 0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 97 12.517 14.484 1.047 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.867 13.972 2.041 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.923 16.013 3.248 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.015 16.875 2.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.159 16.399 3.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.439 14.733 2.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.038 15.564 4.289 1.00 0.00 H new ATOM 1354 N ARG A 98 11.018 17.881 -2.105 1.00 0.00 N ATOM 1355 CA ARG A 98 10.638 18.584 -3.322 1.00 0.00 C ATOM 1356 C ARG A 98 9.197 19.079 -3.254 1.00 0.00 C ATOM 1357 O ARG A 98 8.859 20.122 -3.817 1.00 0.00 O ATOM 1358 CB ARG A 98 10.832 17.666 -4.528 1.00 0.00 C ATOM 1359 CG ARG A 98 9.854 16.500 -4.581 1.00 0.00 C ATOM 1360 CD ARG A 98 10.576 15.158 -4.639 1.00 0.00 C ATOM 1361 NE ARG A 98 10.493 14.548 -5.964 1.00 0.00 N ATOM 1362 CZ ARG A 98 11.350 14.794 -6.956 1.00 0.00 C ATOM 1363 NH1 ARG A 98 12.359 15.637 -6.778 1.00 0.00 N ATOM 1364 NH2 ARG A 98 11.195 14.192 -8.126 1.00 0.00 N ATOM 0 H ARG A 98 10.243 17.666 -1.478 1.00 0.00 H new ATOM 0 HA ARG A 98 11.280 19.459 -3.427 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.730 18.254 -5.440 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.849 17.274 -4.514 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.208 16.527 -3.704 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.210 16.605 -5.454 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.623 15.298 -4.369 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.144 14.482 -3.901 1.00 0.00 H new ATOM 0 HE ARG A 98 9.732 13.893 -6.142 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.483 16.101 -5.878 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.011 15.821 -7.541 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.422 13.542 -8.267 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.849 14.379 -8.886 1.00 0.00 H new ATOM 1378 N GLY A 99 8.352 18.323 -2.568 1.00 0.00 N ATOM 1379 CA GLY A 99 6.955 18.687 -2.441 1.00 0.00 C ATOM 1380 C GLY A 99 6.038 17.575 -2.908 1.00 0.00 C ATOM 1381 O GLY A 99 4.872 17.814 -3.219 1.00 0.00 O ATOM 0 H GLY A 99 8.611 17.458 -2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.735 18.926 -1.401 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.760 19.587 -3.023 1.00 0.00 H new ATOM 1385 N MET A 100 6.575 16.358 -2.961 1.00 0.00 N ATOM 1386 CA MET A 100 5.825 15.196 -3.397 1.00 0.00 C ATOM 1387 C MET A 100 6.683 13.939 -3.350 1.00 0.00 C ATOM 1388 O MET A 100 7.906 14.017 -3.254 1.00 0.00 O ATOM 1389 CB MET A 100 5.315 15.410 -4.814 1.00 0.00 C ATOM 1390 CG MET A 100 6.415 15.350 -5.856 1.00 0.00 C ATOM 1391 SD MET A 100 6.689 13.688 -6.504 1.00 0.00 S ATOM 1392 CE MET A 100 5.014 13.172 -6.862 1.00 0.00 C ATOM 0 H MET A 100 7.541 16.156 -2.702 1.00 0.00 H new ATOM 0 HA MET A 100 4.982 15.064 -2.719 1.00 0.00 H new ATOM 0 HB2 MET A 100 4.565 14.653 -5.042 1.00 0.00 H new ATOM 0 HB3 MET A 100 4.819 16.379 -4.873 1.00 0.00 H new ATOM 0 HG2 MET A 100 6.163 16.017 -6.680 1.00 0.00 H new ATOM 0 HG3 MET A 100 7.342 15.720 -5.418 1.00 0.00 H new ATOM 0 HE1 MET A 100 5.028 12.396 -7.627 1.00 0.00 H new ATOM 0 HE2 MET A 100 4.553 12.780 -5.956 1.00 0.00 H new ATOM 0 HE3 MET A 100 4.439 14.026 -7.222 1.00 0.00 H new ATOM 1402 N ILE A 101 6.033 12.785 -3.430 1.00 0.00 N ATOM 1403 CA ILE A 101 6.733 11.506 -3.405 1.00 0.00 C ATOM 1404 C ILE A 101 6.014 10.478 -4.279 1.00 0.00 C ATOM 1405 O ILE A 101 4.786 10.379 -4.251 1.00 0.00 O ATOM 1406 CB ILE A 101 6.889 10.972 -1.955 1.00 0.00 C ATOM 1407 CG1 ILE A 101 6.229 9.602 -1.778 1.00 0.00 C ATOM 1408 CG2 ILE A 101 6.312 11.962 -0.955 1.00 0.00 C ATOM 1409 CD1 ILE A 101 6.354 9.058 -0.373 1.00 0.00 C ATOM 0 H ILE A 101 5.019 12.708 -3.513 1.00 0.00 H new ATOM 0 HA ILE A 101 7.732 11.669 -3.810 1.00 0.00 H new ATOM 0 HB ILE A 101 7.956 10.855 -1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.173 9.678 -2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 101 6.680 8.896 -2.476 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.431 11.570 0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.838 12.913 -1.039 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.253 12.114 -1.163 1.00 0.00 H new ATOM 0 HD11 ILE A 101 5.866 8.085 -0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.408 8.951 -0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.878 9.745 0.327 1.00 0.00 H new ATOM 1421 N GLN A 102 6.784 9.719 -5.050 1.00 0.00 N ATOM 1422 CA GLN A 102 6.215 8.704 -5.928 1.00 0.00 C ATOM 1423 C GLN A 102 5.942 7.420 -5.152 1.00 0.00 C ATOM 1424 O GLN A 102 6.713 7.045 -4.269 1.00 0.00 O ATOM 1425 CB GLN A 102 7.162 8.417 -7.096 1.00 0.00 C ATOM 1426 CG GLN A 102 6.465 7.841 -8.318 1.00 0.00 C ATOM 1427 CD GLN A 102 6.831 8.570 -9.596 1.00 0.00 C ATOM 1428 OE1 GLN A 102 6.244 9.601 -9.926 1.00 0.00 O ATOM 1429 NE2 GLN A 102 7.805 8.036 -10.324 1.00 0.00 N ATOM 0 H GLN A 102 7.801 9.787 -5.085 1.00 0.00 H new ATOM 0 HA GLN A 102 5.272 9.082 -6.323 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.667 9.341 -7.378 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.932 7.720 -6.765 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.726 6.787 -8.418 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.386 7.890 -8.173 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.264 7.180 -10.012 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.094 8.482 -11.195 1.00 0.00 H new ATOM 1438 N LEU A 103 4.841 6.753 -5.479 1.00 0.00 N ATOM 1439 CA LEU A 103 4.477 5.517 -4.800 1.00 0.00 C ATOM 1440 C LEU A 103 3.871 4.507 -5.768 1.00 0.00 C ATOM 1441 O LEU A 103 2.760 4.694 -6.262 1.00 0.00 O ATOM 1442 CB LEU A 103 3.487 5.806 -3.670 1.00 0.00 C ATOM 1443 CG LEU A 103 4.123 6.225 -2.341 1.00 0.00 C ATOM 1444 CD1 LEU A 103 3.297 7.311 -1.671 1.00 0.00 C ATOM 1445 CD2 LEU A 103 4.272 5.023 -1.422 1.00 0.00 C ATOM 0 H LEU A 103 4.189 7.046 -6.206 1.00 0.00 H new ATOM 0 HA LEU A 103 5.388 5.087 -4.384 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.809 6.595 -3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.882 4.915 -3.501 1.00 0.00 H new ATOM 0 HG LEU A 103 5.115 6.628 -2.546 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.765 7.595 -0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.241 8.181 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.292 6.937 -1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.725 5.338 -0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.291 4.592 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.907 4.277 -1.899 1.00 0.00 H new ATOM 1457 N ILE A 104 4.607 3.430 -6.025 1.00 0.00 N ATOM 1458 CA ILE A 104 4.138 2.381 -6.922 1.00 0.00 C ATOM 1459 C ILE A 104 3.334 1.344 -6.152 1.00 0.00 C ATOM 1460 O ILE A 104 3.651 1.019 -5.009 1.00 0.00 O ATOM 1461 CB ILE A 104 5.303 1.682 -7.648 1.00 0.00 C ATOM 1462 CG1 ILE A 104 6.120 2.701 -8.438 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.782 0.589 -8.571 1.00 0.00 C ATOM 1464 CD1 ILE A 104 5.293 3.540 -9.389 1.00 0.00 C ATOM 0 H ILE A 104 5.530 3.261 -5.625 1.00 0.00 H new ATOM 0 HA ILE A 104 3.506 2.859 -7.670 1.00 0.00 H new ATOM 0 HB ILE A 104 5.948 1.220 -6.901 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.635 3.361 -7.739 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.888 2.176 -9.005 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.620 0.108 -9.074 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.236 -0.151 -7.986 1.00 0.00 H new ATOM 0 HG23 ILE A 104 4.116 1.027 -9.314 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.942 4.241 -9.915 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.799 2.891 -10.112 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.542 4.094 -8.826 1.00 0.00 H new ATOM 1476 N VAL A 105 2.286 0.836 -6.783 1.00 0.00 N ATOM 1477 CA VAL A 105 1.429 -0.159 -6.149 1.00 0.00 C ATOM 1478 C VAL A 105 0.983 -1.232 -7.136 1.00 0.00 C ATOM 1479 O VAL A 105 1.333 -1.196 -8.316 1.00 0.00 O ATOM 1480 CB VAL A 105 0.181 0.496 -5.529 1.00 0.00 C ATOM 1481 CG1 VAL A 105 0.577 1.451 -4.414 1.00 0.00 C ATOM 1482 CG2 VAL A 105 -0.630 1.217 -6.595 1.00 0.00 C ATOM 0 H VAL A 105 2.008 1.094 -7.730 1.00 0.00 H new ATOM 0 HA VAL A 105 2.024 -0.626 -5.364 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.442 -0.288 -5.100 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.318 1.904 -3.988 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.111 0.903 -3.638 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.223 2.232 -4.816 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.508 1.673 -6.138 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.017 1.991 -7.057 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.947 0.504 -7.356 1.00 0.00 H new ATOM 1492 N ALA A 106 0.201 -2.183 -6.636 1.00 0.00 N ATOM 1493 CA ALA A 106 -0.310 -3.271 -7.456 1.00 0.00 C ATOM 1494 C ALA A 106 -1.810 -3.438 -7.249 1.00 0.00 C ATOM 1495 O ALA A 106 -2.306 -3.338 -6.124 1.00 0.00 O ATOM 1496 CB ALA A 106 0.419 -4.567 -7.133 1.00 0.00 C ATOM 0 H ALA A 106 -0.093 -2.220 -5.660 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.133 -3.026 -8.503 1.00 0.00 H new ATOM 0 HB1 ALA A 106 0.025 -5.371 -7.755 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.484 -4.444 -7.330 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.271 -4.816 -6.082 1.00 0.00 H new ATOM 1502 N ARG A 107 -2.531 -3.688 -8.337 1.00 0.00 N ATOM 1503 CA ARG A 107 -3.976 -3.859 -8.273 1.00 0.00 C ATOM 1504 C ARG A 107 -4.446 -4.920 -9.262 1.00 0.00 C ATOM 1505 O ARG A 107 -3.843 -5.112 -10.318 1.00 0.00 O ATOM 1506 CB ARG A 107 -4.675 -2.528 -8.559 1.00 0.00 C ATOM 1507 CG ARG A 107 -6.191 -2.612 -8.527 1.00 0.00 C ATOM 1508 CD ARG A 107 -6.826 -1.398 -9.183 1.00 0.00 C ATOM 1509 NE ARG A 107 -6.767 -0.218 -8.324 1.00 0.00 N ATOM 1510 CZ ARG A 107 -7.358 0.939 -8.612 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -8.050 1.078 -9.736 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -7.255 1.962 -7.774 1.00 0.00 N ATOM 0 H ARG A 107 -2.137 -3.777 -9.274 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.236 -4.192 -7.268 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.346 -1.791 -7.827 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.361 -2.167 -9.538 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.518 -3.517 -9.039 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.531 -2.689 -7.494 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.318 -1.187 -10.124 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.866 -1.619 -9.425 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.242 -0.285 -7.452 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.131 0.295 -10.385 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.501 1.968 -9.951 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -6.723 1.862 -6.910 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.708 2.849 -7.994 1.00 0.00 H new