USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 592 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 80 GLN : amide:sc= 0.0294 K(o=0.0096,f=-1.4) USER MOD Set 1.2: A 90 LYS NZ :NH3+ -152:sc= -0.0198 (180deg=-1.36) USER MOD Set 2.1: A 61 ASN : amide:sc= -1.93 X(o=-2.4,f=-2.1!) USER MOD Set 2.2: A 63 SER OG : rot 180:sc= -0.477 USER MOD Set 3.1: A 4 GLN : amide:sc= -0.959 K(o=1.6,f=-4) USER MOD Set 3.2: A 19 LYS NZ :NH3+ 143:sc= 1.04 (180deg=0) USER MOD Set 3.3: A 93 TYR OH : rot -101:sc= 1.56 USER MOD Single : A 5 ASN :FLIP amide:sc= -0.0427 F(o=-1.3!,f=-0.043) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00353 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN :FLIP amide:sc= -2.24! F(o=-2.7,f=-2.2!) USER MOD Single : A 35 THR OG1 : rot 124:sc= 1.25 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -175:sc= -0.533 (180deg=-0.583) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.249 K(o=-0.25,f=-1.4) USER MOD Single : A 82 MET CE :methyl -156:sc= -0.111 (180deg=-0.516) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 174:sc= 0 USER MOD Single : A 91 SER OG : rot 100:sc= -0.902 USER MOD Single : A 92 ASN : amide:sc= -0.8 K(o=-0.8,f=-9.7!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc=-0.00355 F(o=-0.7,f=-0.0036) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 3 10.688 -3.182 4.317 1.00 32.35 N ATOM 19 CA ALA A 3 10.369 -4.603 4.392 1.00 15.33 C ATOM 20 C ALA A 3 9.596 -4.925 5.666 1.00 21.13 C ATOM 21 O ALA A 3 10.014 -5.769 6.459 1.00 44.14 O ATOM 22 CB ALA A 3 11.643 -5.432 4.322 1.00 41.02 C ATOM 0 HA ALA A 3 9.736 -4.855 3.541 1.00 15.33 H new ATOM 0 HB1 ALA A 3 11.392 -6.491 4.379 1.00 41.02 H new ATOM 0 HB2 ALA A 3 12.157 -5.231 3.382 1.00 41.02 H new ATOM 0 HB3 ALA A 3 12.295 -5.169 5.155 1.00 41.02 H new ATOM 28 N GLN A 4 8.470 -4.246 5.857 1.00 3.33 N ATOM 29 CA GLN A 4 7.640 -4.461 7.037 1.00 14.54 C ATOM 30 C GLN A 4 6.551 -5.492 6.757 1.00 21.21 C ATOM 31 O GLN A 4 5.872 -5.427 5.733 1.00 11.15 O ATOM 32 CB GLN A 4 7.008 -3.142 7.489 1.00 42.40 C ATOM 33 CG GLN A 4 7.245 -2.826 8.956 1.00 22.42 C ATOM 34 CD GLN A 4 6.922 -1.386 9.302 1.00 72.13 C ATOM 35 OE1 GLN A 4 7.619 -0.462 8.881 1.00 12.33 O ATOM 36 NE2 GLN A 4 5.858 -1.186 10.072 1.00 75.44 N ATOM 0 H GLN A 4 8.111 -3.543 5.211 1.00 3.33 H new ATOM 0 HA GLN A 4 8.278 -4.842 7.835 1.00 14.54 H new ATOM 0 HB2 GLN A 4 7.408 -2.330 6.882 1.00 42.40 H new ATOM 0 HB3 GLN A 4 5.935 -3.180 7.303 1.00 42.40 H new ATOM 0 HG2 GLN A 4 6.635 -3.489 9.570 1.00 22.42 H new ATOM 0 HG3 GLN A 4 8.286 -3.031 9.204 1.00 22.42 H new ATOM 0 HE21 GLN A 4 5.308 -1.981 10.399 1.00 75.44 H new ATOM 0 HE22 GLN A 4 5.591 -0.238 10.336 1.00 75.44 H new ATOM 43 N ASN A 5 6.391 -6.440 7.673 1.00 22.11 N ATOM 44 CA ASN A 5 5.384 -7.485 7.523 1.00 73.01 C ATOM 45 C ASN A 5 4.028 -7.011 8.035 1.00 41.10 C ATOM 46 O ASN A 5 3.892 -6.626 9.197 1.00 71.15 O ATOM 47 CB ASN A 5 5.813 -8.747 8.275 1.00 53.00 C ATOM 48 CG ASN A 5 6.285 -8.447 9.685 1.00 2.33 C ATOM 49 OD1 ASN A 5 7.552 -8.073 9.818 1.00 43.53 O flip ATOM 50 ND2 ASN A 5 5.518 -8.550 10.643 1.00 4.00 N flip ATOM 0 H ASN A 5 6.945 -6.507 8.527 1.00 22.11 H new ATOM 0 HA ASN A 5 5.291 -7.716 6.462 1.00 73.01 H new ATOM 0 HB2 ASN A 5 4.977 -9.445 8.315 1.00 53.00 H new ATOM 0 HB3 ASN A 5 6.613 -9.241 7.724 1.00 53.00 H new ATOM 0 HD21 ASN A 5 4.552 -8.841 10.494 1.00 4.00 H new ATOM 0 HD22 ASN A 5 5.849 -8.344 11.586 1.00 4.00 H new ATOM 56 N ILE A 6 3.028 -7.042 7.160 1.00 60.23 N ATOM 57 CA ILE A 6 1.682 -6.618 7.524 1.00 34.24 C ATOM 58 C ILE A 6 0.666 -7.723 7.257 1.00 34.11 C ATOM 59 O ILE A 6 0.515 -8.183 6.124 1.00 70.31 O ATOM 60 CB ILE A 6 1.263 -5.352 6.753 1.00 71.21 C ATOM 61 CG1 ILE A 6 2.223 -4.201 7.059 1.00 73.55 C ATOM 62 CG2 ILE A 6 -0.166 -4.966 7.105 1.00 2.34 C ATOM 63 CD1 ILE A 6 2.261 -3.818 8.521 1.00 10.51 C ATOM 0 H ILE A 6 3.125 -7.356 6.194 1.00 60.23 H new ATOM 0 HA ILE A 6 1.699 -6.395 8.591 1.00 34.24 H new ATOM 0 HB ILE A 6 1.308 -5.563 5.685 1.00 71.21 H new ATOM 0 HG12 ILE A 6 3.227 -4.481 6.739 1.00 73.55 H new ATOM 0 HG13 ILE A 6 1.932 -3.330 6.471 1.00 73.55 H new ATOM 0 HG21 ILE A 6 -0.447 -4.070 6.552 1.00 2.34 H new ATOM 0 HG22 ILE A 6 -0.839 -5.782 6.840 1.00 2.34 H new ATOM 0 HG23 ILE A 6 -0.237 -4.770 8.175 1.00 2.34 H new ATOM 0 HD11 ILE A 6 2.962 -2.996 8.664 1.00 10.51 H new ATOM 0 HD12 ILE A 6 1.267 -3.507 8.841 1.00 10.51 H new ATOM 0 HD13 ILE A 6 2.581 -4.675 9.113 1.00 10.51 H new ATOM 74 N THR A 7 -0.031 -8.146 8.307 1.00 31.21 N ATOM 75 CA THR A 7 -1.035 -9.195 8.185 1.00 21.43 C ATOM 76 C THR A 7 -2.431 -8.606 8.023 1.00 24.42 C ATOM 77 O THR A 7 -2.763 -7.592 8.637 1.00 54.42 O ATOM 78 CB THR A 7 -1.023 -10.126 9.412 1.00 45.11 C ATOM 79 OG1 THR A 7 -1.052 -9.351 10.617 1.00 45.42 O ATOM 80 CG2 THR A 7 0.213 -11.015 9.406 1.00 62.43 C ATOM 0 H THR A 7 0.082 -7.778 9.252 1.00 31.21 H new ATOM 0 HA THR A 7 -0.783 -9.772 7.295 1.00 21.43 H new ATOM 0 HB THR A 7 -1.908 -10.760 9.366 1.00 45.11 H new ATOM 0 HG1 THR A 7 -1.046 -9.951 11.392 1.00 45.42 H new ATOM 0 HG21 THR A 7 0.199 -11.663 10.282 1.00 62.43 H new ATOM 0 HG22 THR A 7 0.218 -11.625 8.503 1.00 62.43 H new ATOM 0 HG23 THR A 7 1.108 -10.394 9.429 1.00 62.43 H new ATOM 88 N ALA A 8 -3.246 -9.248 7.193 1.00 71.10 N ATOM 89 CA ALA A 8 -4.608 -8.789 6.952 1.00 30.22 C ATOM 90 C ALA A 8 -5.561 -9.965 6.775 1.00 21.22 C ATOM 91 O ALA A 8 -5.131 -11.100 6.567 1.00 3.44 O ATOM 92 CB ALA A 8 -4.651 -7.884 5.729 1.00 44.20 C ATOM 0 H ALA A 8 -2.986 -10.088 6.676 1.00 71.10 H new ATOM 0 HA ALA A 8 -4.933 -8.221 7.824 1.00 30.22 H new ATOM 0 HB1 ALA A 8 -5.674 -7.548 5.561 1.00 44.20 H new ATOM 0 HB2 ALA A 8 -4.008 -7.019 5.893 1.00 44.20 H new ATOM 0 HB3 ALA A 8 -4.302 -8.435 4.856 1.00 44.20 H new ATOM 98 N ARG A 9 -6.858 -9.688 6.861 1.00 61.22 N ATOM 99 CA ARG A 9 -7.872 -10.725 6.712 1.00 24.32 C ATOM 100 C ARG A 9 -8.867 -10.360 5.614 1.00 72.15 C ATOM 101 O ARG A 9 -9.108 -9.182 5.348 1.00 40.22 O ATOM 102 CB ARG A 9 -8.612 -10.938 8.035 1.00 61.03 C ATOM 103 CG ARG A 9 -8.215 -12.215 8.756 1.00 3.01 C ATOM 104 CD ARG A 9 -7.323 -11.923 9.954 1.00 44.44 C ATOM 105 NE ARG A 9 -7.286 -13.040 10.894 1.00 65.35 N ATOM 106 CZ ARG A 9 -6.511 -13.069 11.971 1.00 33.33 C ATOM 107 NH1 ARG A 9 -5.712 -12.046 12.244 1.00 4.34 N ATOM 108 NH2 ARG A 9 -6.534 -14.121 12.779 1.00 22.13 N ATOM 0 H ARG A 9 -7.231 -8.754 7.033 1.00 61.22 H new ATOM 0 HA ARG A 9 -7.370 -11.651 6.430 1.00 24.32 H new ATOM 0 HB2 ARG A 9 -8.421 -10.087 8.689 1.00 61.03 H new ATOM 0 HB3 ARG A 9 -9.685 -10.958 7.842 1.00 61.03 H new ATOM 0 HG2 ARG A 9 -9.110 -12.741 9.087 1.00 3.01 H new ATOM 0 HG3 ARG A 9 -7.693 -12.877 8.065 1.00 3.01 H new ATOM 0 HD2 ARG A 9 -6.312 -11.706 9.609 1.00 44.44 H new ATOM 0 HD3 ARG A 9 -7.684 -11.031 10.465 1.00 44.44 H new ATOM 0 HE ARG A 9 -7.889 -13.842 10.713 1.00 65.35 H new ATOM 0 HH11 ARG A 9 -5.692 -11.235 11.626 1.00 4.34 H new ATOM 0 HH12 ARG A 9 -5.117 -12.070 13.072 1.00 4.34 H new ATOM 0 HH21 ARG A 9 -7.148 -14.909 12.573 1.00 22.13 H new ATOM 0 HH22 ARG A 9 -5.938 -14.142 13.606 1.00 22.13 H new ATOM 119 N ILE A 10 -9.439 -11.378 4.979 1.00 21.32 N ATOM 120 CA ILE A 10 -10.406 -11.164 3.910 1.00 34.24 C ATOM 121 C ILE A 10 -11.576 -10.309 4.390 1.00 54.02 C ATOM 122 O ILE A 10 -12.304 -10.693 5.304 1.00 52.14 O ATOM 123 CB ILE A 10 -10.950 -12.499 3.367 1.00 25.33 C ATOM 124 CG1 ILE A 10 -9.795 -13.438 3.014 1.00 65.31 C ATOM 125 CG2 ILE A 10 -11.834 -12.255 2.153 1.00 23.24 C ATOM 126 CD1 ILE A 10 -8.923 -12.925 1.890 1.00 41.51 C ATOM 0 H ILE A 10 -9.249 -12.358 5.187 1.00 21.32 H new ATOM 0 HA ILE A 10 -9.881 -10.642 3.110 1.00 34.24 H new ATOM 0 HB ILE A 10 -11.554 -12.972 4.141 1.00 25.33 H new ATOM 0 HG12 ILE A 10 -9.179 -13.592 3.900 1.00 65.31 H new ATOM 0 HG13 ILE A 10 -10.200 -14.410 2.734 1.00 65.31 H new ATOM 0 HG21 ILE A 10 -12.211 -13.207 1.780 1.00 23.24 H new ATOM 0 HG22 ILE A 10 -12.672 -11.618 2.435 1.00 23.24 H new ATOM 0 HG23 ILE A 10 -11.253 -11.764 1.372 1.00 23.24 H new ATOM 0 HD11 ILE A 10 -8.125 -13.641 1.693 1.00 41.51 H new ATOM 0 HD12 ILE A 10 -9.526 -12.797 0.991 1.00 41.51 H new ATOM 0 HD13 ILE A 10 -8.489 -11.967 2.175 1.00 41.51 H new ATOM 137 N GLY A 11 -11.749 -9.149 3.765 1.00 32.00 N ATOM 138 CA GLY A 11 -12.832 -8.258 4.140 1.00 63.12 C ATOM 139 C GLY A 11 -12.508 -7.440 5.374 1.00 51.23 C ATOM 140 O GLY A 11 -13.375 -6.758 5.919 1.00 45.13 O ATOM 0 H GLY A 11 -11.159 -8.810 3.005 1.00 32.00 H new ATOM 0 HA2 GLY A 11 -13.050 -7.586 3.310 1.00 63.12 H new ATOM 0 HA3 GLY A 11 -13.733 -8.843 4.322 1.00 63.12 H new ATOM 144 N GLU A 12 -11.257 -7.509 5.816 1.00 5.44 N ATOM 145 CA GLU A 12 -10.823 -6.770 6.996 1.00 41.41 C ATOM 146 C GLU A 12 -10.039 -5.522 6.600 1.00 52.41 C ATOM 147 O GLU A 12 -9.241 -5.532 5.663 1.00 44.15 O ATOM 148 CB GLU A 12 -9.962 -7.661 7.895 1.00 73.20 C ATOM 149 CG GLU A 12 -10.757 -8.717 8.644 1.00 14.44 C ATOM 150 CD GLU A 12 -11.930 -8.133 9.409 1.00 12.33 C ATOM 151 OE1 GLU A 12 -13.010 -7.971 8.804 1.00 53.43 O ATOM 152 OE2 GLU A 12 -11.767 -7.839 10.611 1.00 12.20 O ATOM 0 H GLU A 12 -10.526 -8.068 5.376 1.00 5.44 H new ATOM 0 HA GLU A 12 -11.712 -6.461 7.546 1.00 41.41 H new ATOM 0 HB2 GLU A 12 -9.204 -8.153 7.286 1.00 73.20 H new ATOM 0 HB3 GLU A 12 -9.435 -7.035 8.616 1.00 73.20 H new ATOM 0 HG2 GLU A 12 -11.124 -9.460 7.936 1.00 14.44 H new ATOM 0 HG3 GLU A 12 -10.098 -9.237 9.339 1.00 14.44 H new ATOM 157 N PRO A 13 -10.273 -4.420 7.329 1.00 63.13 N ATOM 158 CA PRO A 13 -9.600 -3.144 7.071 1.00 23.22 C ATOM 159 C PRO A 13 -8.119 -3.186 7.431 1.00 10.35 C ATOM 160 O PRO A 13 -7.724 -3.830 8.406 1.00 63.44 O ATOM 161 CB PRO A 13 -10.344 -2.162 7.979 1.00 14.42 C ATOM 162 CG PRO A 13 -10.892 -3.005 9.079 1.00 12.21 C ATOM 163 CD PRO A 13 -11.212 -4.337 8.459 1.00 31.41 C ATOM 0 HA PRO A 13 -9.627 -2.875 6.015 1.00 23.22 H new ATOM 0 HB2 PRO A 13 -9.674 -1.394 8.365 1.00 14.42 H new ATOM 0 HB3 PRO A 13 -11.140 -1.649 7.439 1.00 14.42 H new ATOM 0 HG2 PRO A 13 -10.167 -3.114 9.886 1.00 12.21 H new ATOM 0 HG3 PRO A 13 -11.784 -2.551 9.511 1.00 12.21 H new ATOM 0 HD2 PRO A 13 -11.065 -5.155 9.165 1.00 31.41 H new ATOM 0 HD3 PRO A 13 -12.248 -4.386 8.125 1.00 31.41 H new ATOM 168 N LEU A 14 -7.303 -2.498 6.640 1.00 1.24 N ATOM 169 CA LEU A 14 -5.864 -2.457 6.877 1.00 53.52 C ATOM 170 C LEU A 14 -5.288 -1.097 6.501 1.00 33.42 C ATOM 171 O LEU A 14 -5.707 -0.483 5.518 1.00 10.31 O ATOM 172 CB LEU A 14 -5.164 -3.558 6.075 1.00 31.05 C ATOM 173 CG LEU A 14 -3.668 -3.731 6.340 1.00 75.11 C ATOM 174 CD1 LEU A 14 -3.437 -4.392 7.690 1.00 50.44 C ATOM 175 CD2 LEU A 14 -3.021 -4.544 5.228 1.00 31.01 C ATOM 0 H LEU A 14 -7.613 -1.961 5.830 1.00 1.24 H new ATOM 0 HA LEU A 14 -5.692 -2.623 7.940 1.00 53.52 H new ATOM 0 HB2 LEU A 14 -5.662 -4.505 6.284 1.00 31.05 H new ATOM 0 HB3 LEU A 14 -5.304 -3.352 5.014 1.00 31.05 H new ATOM 0 HG LEU A 14 -3.205 -2.744 6.359 1.00 75.11 H new ATOM 0 HD11 LEU A 14 -2.367 -4.507 7.861 1.00 50.44 H new ATOM 0 HD12 LEU A 14 -3.866 -3.771 8.477 1.00 50.44 H new ATOM 0 HD13 LEU A 14 -3.913 -5.372 7.701 1.00 50.44 H new ATOM 0 HD21 LEU A 14 -1.956 -4.658 5.432 1.00 31.01 H new ATOM 0 HD22 LEU A 14 -3.488 -5.528 5.178 1.00 31.01 H new ATOM 0 HD23 LEU A 14 -3.155 -4.030 4.276 1.00 31.01 H new ATOM 186 N VAL A 15 -4.326 -0.628 7.289 1.00 35.10 N ATOM 187 CA VAL A 15 -3.690 0.660 7.036 1.00 12.33 C ATOM 188 C VAL A 15 -2.183 0.507 6.874 1.00 41.22 C ATOM 189 O VAL A 15 -1.559 -0.330 7.528 1.00 52.34 O ATOM 190 CB VAL A 15 -3.974 1.658 8.176 1.00 60.13 C ATOM 191 CG1 VAL A 15 -3.403 3.027 7.841 1.00 74.42 C ATOM 192 CG2 VAL A 15 -5.469 1.746 8.446 1.00 34.11 C ATOM 0 H VAL A 15 -3.970 -1.121 8.108 1.00 35.10 H new ATOM 0 HA VAL A 15 -4.114 1.046 6.109 1.00 12.33 H new ATOM 0 HB VAL A 15 -3.485 1.299 9.081 1.00 60.13 H new ATOM 0 HG11 VAL A 15 -3.613 3.718 8.657 1.00 74.42 H new ATOM 0 HG12 VAL A 15 -2.325 2.947 7.701 1.00 74.42 H new ATOM 0 HG13 VAL A 15 -3.861 3.398 6.924 1.00 74.42 H new ATOM 0 HG21 VAL A 15 -5.652 2.455 9.254 1.00 34.11 H new ATOM 0 HG22 VAL A 15 -5.982 2.082 7.545 1.00 34.11 H new ATOM 0 HG23 VAL A 15 -5.845 0.764 8.733 1.00 34.11 H new ATOM 202 N LEU A 16 -1.601 1.321 5.999 1.00 23.32 N ATOM 203 CA LEU A 16 -0.164 1.277 5.751 1.00 3.43 C ATOM 204 C LEU A 16 0.439 2.676 5.796 1.00 14.04 C ATOM 205 O LEU A 16 -0.211 3.657 5.433 1.00 12.13 O ATOM 206 CB LEU A 16 0.118 0.630 4.394 1.00 54.52 C ATOM 207 CG LEU A 16 -0.360 -0.812 4.225 1.00 35.40 C ATOM 208 CD1 LEU A 16 0.085 -1.368 2.882 1.00 71.05 C ATOM 209 CD2 LEU A 16 0.154 -1.682 5.362 1.00 54.03 C ATOM 0 H LEU A 16 -2.102 2.019 5.450 1.00 23.32 H new ATOM 0 HA LEU A 16 0.298 0.678 6.536 1.00 3.43 H new ATOM 0 HB2 LEU A 16 -0.348 1.239 3.620 1.00 54.52 H new ATOM 0 HB3 LEU A 16 1.193 0.658 4.217 1.00 54.52 H new ATOM 0 HG LEU A 16 -1.450 -0.819 4.254 1.00 35.40 H new ATOM 0 HD11 LEU A 16 -0.264 -2.395 2.780 1.00 71.05 H new ATOM 0 HD12 LEU A 16 -0.334 -0.761 2.080 1.00 71.05 H new ATOM 0 HD13 LEU A 16 1.173 -1.347 2.822 1.00 71.05 H new ATOM 0 HD21 LEU A 16 -0.197 -2.705 5.225 1.00 54.03 H new ATOM 0 HD22 LEU A 16 1.244 -1.669 5.366 1.00 54.03 H new ATOM 0 HD23 LEU A 16 -0.217 -1.296 6.312 1.00 54.03 H new ATOM 220 N LYS A 17 1.688 2.762 6.242 1.00 21.22 N ATOM 221 CA LYS A 17 2.382 4.042 6.333 1.00 14.11 C ATOM 222 C LYS A 17 3.545 4.099 5.348 1.00 53.15 C ATOM 223 O LYS A 17 4.145 3.076 5.019 1.00 51.11 O ATOM 224 CB LYS A 17 2.894 4.270 7.757 1.00 2.02 C ATOM 225 CG LYS A 17 3.515 5.639 7.968 1.00 12.15 C ATOM 226 CD LYS A 17 3.477 6.048 9.431 1.00 13.11 C ATOM 227 CE LYS A 17 2.078 6.466 9.857 1.00 43.31 C ATOM 228 NZ LYS A 17 2.107 7.384 11.029 1.00 65.33 N ATOM 0 H LYS A 17 2.241 1.960 6.546 1.00 21.22 H new ATOM 0 HA LYS A 17 1.673 4.830 6.079 1.00 14.11 H new ATOM 0 HB2 LYS A 17 2.067 4.144 8.456 1.00 2.02 H new ATOM 0 HB3 LYS A 17 3.633 3.505 7.995 1.00 2.02 H new ATOM 0 HG2 LYS A 17 4.547 5.629 7.619 1.00 12.15 H new ATOM 0 HG3 LYS A 17 2.983 6.378 7.369 1.00 12.15 H new ATOM 0 HD2 LYS A 17 3.814 5.217 10.051 1.00 13.11 H new ATOM 0 HD3 LYS A 17 4.171 6.872 9.598 1.00 13.11 H new ATOM 0 HE2 LYS A 17 1.576 6.957 9.023 1.00 43.31 H new ATOM 0 HE3 LYS A 17 1.493 5.580 10.104 1.00 43.31 H new ATOM 0 HZ1 LYS A 17 1.135 7.646 11.289 1.00 65.33 H new ATOM 0 HZ2 LYS A 17 2.563 6.907 11.832 1.00 65.33 H new ATOM 0 HZ3 LYS A 17 2.643 8.241 10.785 1.00 65.33 H new ATOM 238 N CYS A 18 3.860 5.303 4.881 1.00 73.22 N ATOM 239 CA CYS A 18 4.952 5.495 3.934 1.00 71.23 C ATOM 240 C CYS A 18 6.117 6.233 4.590 1.00 41.21 C ATOM 241 O CYS A 18 6.086 7.453 4.743 1.00 13.32 O ATOM 242 CB CYS A 18 4.464 6.275 2.711 1.00 12.12 C ATOM 243 SG CYS A 18 3.203 5.403 1.727 1.00 32.53 S ATOM 0 H CYS A 18 3.374 6.161 5.143 1.00 73.22 H new ATOM 0 HA CYS A 18 5.300 4.513 3.615 1.00 71.23 H new ATOM 0 HB2 CYS A 18 4.055 7.230 3.042 1.00 12.12 H new ATOM 0 HB3 CYS A 18 5.318 6.498 2.071 1.00 12.12 H new ATOM 247 N LYS A 19 7.143 5.481 4.974 1.00 44.05 N ATOM 248 CA LYS A 19 8.320 6.061 5.610 1.00 22.15 C ATOM 249 C LYS A 19 8.856 7.234 4.798 1.00 71.12 C ATOM 250 O LYS A 19 9.091 7.113 3.596 1.00 12.45 O ATOM 251 CB LYS A 19 9.410 5.000 5.776 1.00 53.30 C ATOM 252 CG LYS A 19 9.649 4.593 7.220 1.00 65.14 C ATOM 253 CD LYS A 19 8.604 3.597 7.698 1.00 14.22 C ATOM 254 CE LYS A 19 8.276 3.799 9.169 1.00 11.00 C ATOM 255 NZ LYS A 19 6.927 3.269 9.513 1.00 10.31 N ATOM 0 H LYS A 19 7.183 4.469 4.856 1.00 44.05 H new ATOM 0 HA LYS A 19 8.026 6.428 6.593 1.00 22.15 H new ATOM 0 HB2 LYS A 19 9.136 4.117 5.199 1.00 53.30 H new ATOM 0 HB3 LYS A 19 10.341 5.379 5.355 1.00 53.30 H new ATOM 0 HG2 LYS A 19 10.642 4.154 7.316 1.00 65.14 H new ATOM 0 HG3 LYS A 19 9.628 5.477 7.857 1.00 65.14 H new ATOM 0 HD2 LYS A 19 7.697 3.706 7.103 1.00 14.22 H new ATOM 0 HD3 LYS A 19 8.968 2.582 7.541 1.00 14.22 H new ATOM 0 HE2 LYS A 19 9.029 3.302 9.781 1.00 11.00 H new ATOM 0 HE3 LYS A 19 8.321 4.861 9.409 1.00 11.00 H new ATOM 0 HZ1 LYS A 19 6.953 2.844 10.462 1.00 10.31 H new ATOM 0 HZ2 LYS A 19 6.235 4.045 9.500 1.00 10.31 H new ATOM 0 HZ3 LYS A 19 6.650 2.547 8.818 1.00 10.31 H new ATOM 265 N GLY A 20 9.048 8.369 5.462 1.00 15.53 N ATOM 266 CA GLY A 20 9.558 9.549 4.785 1.00 2.45 C ATOM 267 C GLY A 20 8.655 10.753 4.962 1.00 51.24 C ATOM 268 O GLY A 20 9.127 11.856 5.237 1.00 52.21 O ATOM 0 H GLY A 20 8.860 8.494 6.457 1.00 15.53 H new ATOM 0 HA2 GLY A 20 10.551 9.784 5.168 1.00 2.45 H new ATOM 0 HA3 GLY A 20 9.669 9.335 3.722 1.00 2.45 H new ATOM 272 N ALA A 21 7.353 10.544 4.801 1.00 64.20 N ATOM 273 CA ALA A 21 6.381 11.621 4.944 1.00 13.33 C ATOM 274 C ALA A 21 5.865 11.707 6.376 1.00 60.51 C ATOM 275 O ALA A 21 5.362 10.735 6.940 1.00 70.44 O ATOM 276 CB ALA A 21 5.227 11.424 3.975 1.00 63.35 C ATOM 0 H ALA A 21 6.946 9.637 4.571 1.00 64.20 H new ATOM 0 HA ALA A 21 6.880 12.561 4.708 1.00 13.33 H new ATOM 0 HB1 ALA A 21 4.510 12.236 4.094 1.00 63.35 H new ATOM 0 HB2 ALA A 21 5.606 11.421 2.953 1.00 63.35 H new ATOM 0 HB3 ALA A 21 4.736 10.473 4.182 1.00 63.35 H new ATOM 282 N PRO A 22 5.991 12.898 6.982 1.00 60.25 N ATOM 283 CA PRO A 22 5.542 13.138 8.355 1.00 32.42 C ATOM 284 C PRO A 22 4.022 13.128 8.479 1.00 5.21 C ATOM 285 O PRO A 22 3.320 12.646 7.591 1.00 64.23 O ATOM 286 CB PRO A 22 6.093 14.532 8.669 1.00 32.24 C ATOM 287 CG PRO A 22 6.231 15.194 7.342 1.00 61.13 C ATOM 288 CD PRO A 22 6.581 14.102 6.370 1.00 51.44 C ATOM 0 HA PRO A 22 5.888 12.362 9.038 1.00 32.42 H new ATOM 0 HB2 PRO A 22 5.417 15.087 9.320 1.00 32.24 H new ATOM 0 HB3 PRO A 22 7.052 14.472 9.183 1.00 32.24 H new ATOM 0 HG2 PRO A 22 5.304 15.690 7.055 1.00 61.13 H new ATOM 0 HG3 PRO A 22 7.007 15.959 7.366 1.00 61.13 H new ATOM 0 HD2 PRO A 22 6.165 14.295 5.381 1.00 51.44 H new ATOM 0 HD3 PRO A 22 7.660 14.003 6.248 1.00 51.44 H new ATOM 293 N LYS A 23 3.519 13.662 9.587 1.00 41.12 N ATOM 294 CA LYS A 23 2.082 13.714 9.827 1.00 32.43 C ATOM 295 C LYS A 23 1.345 14.256 8.607 1.00 13.24 C ATOM 296 O LYS A 23 0.349 13.685 8.166 1.00 42.14 O ATOM 297 CB LYS A 23 1.780 14.588 11.048 1.00 43.52 C ATOM 298 CG LYS A 23 1.724 13.811 12.352 1.00 24.54 C ATOM 299 CD LYS A 23 3.075 13.783 13.044 1.00 11.31 C ATOM 300 CE LYS A 23 3.332 15.066 13.819 1.00 24.42 C ATOM 301 NZ LYS A 23 4.786 15.299 14.041 1.00 0.11 N ATOM 0 H LYS A 23 4.086 14.065 10.333 1.00 41.12 H new ATOM 0 HA LYS A 23 1.734 12.699 10.018 1.00 32.43 H new ATOM 0 HB2 LYS A 23 2.543 15.362 11.128 1.00 43.52 H new ATOM 0 HB3 LYS A 23 0.827 15.095 10.895 1.00 43.52 H new ATOM 0 HG2 LYS A 23 0.985 14.262 13.014 1.00 24.54 H new ATOM 0 HG3 LYS A 23 1.394 12.791 12.155 1.00 24.54 H new ATOM 0 HD2 LYS A 23 3.119 12.932 13.723 1.00 11.31 H new ATOM 0 HD3 LYS A 23 3.862 13.641 12.303 1.00 11.31 H new ATOM 0 HE2 LYS A 23 2.908 15.910 13.275 1.00 24.42 H new ATOM 0 HE3 LYS A 23 2.821 15.018 14.781 1.00 24.42 H new ATOM 0 HZ1 LYS A 23 4.919 16.183 14.572 1.00 0.11 H new ATOM 0 HZ2 LYS A 23 5.186 14.506 14.582 1.00 0.11 H new ATOM 0 HZ3 LYS A 23 5.270 15.371 13.123 1.00 0.11 H new ATOM 311 N LYS A 24 1.845 15.362 8.064 1.00 60.44 N ATOM 312 CA LYS A 24 1.236 15.980 6.891 1.00 2.23 C ATOM 313 C LYS A 24 2.061 15.701 5.640 1.00 72.33 C ATOM 314 O LYS A 24 3.259 15.425 5.705 1.00 62.32 O ATOM 315 CB LYS A 24 1.100 17.490 7.099 1.00 13.33 C ATOM 316 CG LYS A 24 2.325 18.276 6.663 1.00 61.30 C ATOM 317 CD LYS A 24 3.539 17.933 7.509 1.00 21.32 C ATOM 318 CE LYS A 24 4.744 18.775 7.122 1.00 52.13 C ATOM 319 NZ LYS A 24 4.690 20.133 7.730 1.00 32.14 N ATOM 0 H LYS A 24 2.669 15.848 8.417 1.00 60.44 H new ATOM 0 HA LYS A 24 0.245 15.547 6.755 1.00 2.23 H new ATOM 0 HB2 LYS A 24 0.232 17.848 6.545 1.00 13.33 H new ATOM 0 HB3 LYS A 24 0.908 17.687 8.154 1.00 13.33 H new ATOM 0 HG2 LYS A 24 2.539 18.065 5.615 1.00 61.30 H new ATOM 0 HG3 LYS A 24 2.119 19.344 6.738 1.00 61.30 H new ATOM 0 HD2 LYS A 24 3.306 18.091 8.562 1.00 21.32 H new ATOM 0 HD3 LYS A 24 3.779 16.876 7.391 1.00 21.32 H new ATOM 0 HE2 LYS A 24 5.657 18.271 7.440 1.00 52.13 H new ATOM 0 HE3 LYS A 24 4.791 18.865 6.037 1.00 52.13 H new ATOM 0 HZ1 LYS A 24 5.529 20.676 7.442 1.00 32.14 H new ATOM 0 HZ2 LYS A 24 3.832 20.624 7.407 1.00 32.14 H new ATOM 0 HZ3 LYS A 24 4.671 20.049 8.766 1.00 32.14 H new ATOM 366 N ARG A 28 5.451 16.140 -3.263 1.00 75.24 N ATOM 367 CA ARG A 28 4.661 15.262 -4.116 1.00 51.24 C ATOM 368 C ARG A 28 5.119 13.813 -3.977 1.00 62.45 C ATOM 369 O ARG A 28 6.315 13.521 -4.029 1.00 23.21 O ATOM 370 CB ARG A 28 4.766 15.703 -5.577 1.00 11.30 C ATOM 371 CG ARG A 28 3.854 16.868 -5.929 1.00 32.15 C ATOM 372 CD ARG A 28 4.525 18.204 -5.654 1.00 51.30 C ATOM 373 NE ARG A 28 5.634 18.458 -6.569 1.00 1.12 N ATOM 374 CZ ARG A 28 5.474 18.840 -7.832 1.00 44.11 C ATOM 375 NH1 ARG A 28 4.254 19.010 -8.325 1.00 34.20 N ATOM 376 NH2 ARG A 28 6.532 19.051 -8.603 1.00 73.33 N ATOM 0 HA ARG A 28 3.621 15.329 -3.798 1.00 51.24 H new ATOM 0 HB2 ARG A 28 5.798 15.983 -5.790 1.00 11.30 H new ATOM 0 HB3 ARG A 28 4.526 14.857 -6.221 1.00 11.30 H new ATOM 0 HG2 ARG A 28 3.576 16.809 -6.981 1.00 32.15 H new ATOM 0 HG3 ARG A 28 2.932 16.797 -5.352 1.00 32.15 H new ATOM 0 HD2 ARG A 28 3.790 19.004 -5.744 1.00 51.30 H new ATOM 0 HD3 ARG A 28 4.891 18.221 -4.627 1.00 51.30 H new ATOM 0 HE ARG A 28 6.584 18.335 -6.220 1.00 1.12 H new ATOM 0 HH11 ARG A 28 3.438 18.848 -7.735 1.00 34.20 H new ATOM 0 HH12 ARG A 28 4.132 19.303 -9.294 1.00 34.20 H new ATOM 0 HH21 ARG A 28 7.471 18.920 -8.227 1.00 73.33 H new ATOM 0 HH22 ARG A 28 6.407 19.344 -9.572 1.00 73.33 H new ATOM 387 N LEU A 29 4.161 12.910 -3.801 1.00 11.20 N ATOM 388 CA LEU A 29 4.466 11.490 -3.655 1.00 2.13 C ATOM 389 C LEU A 29 3.381 10.632 -4.295 1.00 43.13 C ATOM 390 O LEU A 29 2.218 11.027 -4.354 1.00 31.12 O ATOM 391 CB LEU A 29 4.611 11.130 -2.174 1.00 64.01 C ATOM 392 CG LEU A 29 3.355 10.588 -1.490 1.00 21.21 C ATOM 393 CD1 LEU A 29 3.302 9.072 -1.594 1.00 25.02 C ATOM 394 CD2 LEU A 29 3.311 11.026 -0.032 1.00 54.21 C ATOM 0 H LEU A 29 3.167 13.135 -3.756 1.00 11.20 H new ATOM 0 HA LEU A 29 5.408 11.291 -4.165 1.00 2.13 H new ATOM 0 HB2 LEU A 29 5.403 10.387 -2.077 1.00 64.01 H new ATOM 0 HB3 LEU A 29 4.940 12.019 -1.635 1.00 64.01 H new ATOM 0 HG LEU A 29 2.482 10.997 -1.999 1.00 21.21 H new ATOM 0 HD11 LEU A 29 2.402 8.705 -1.102 1.00 25.02 H new ATOM 0 HD12 LEU A 29 3.286 8.780 -2.644 1.00 25.02 H new ATOM 0 HD13 LEU A 29 4.180 8.643 -1.111 1.00 25.02 H new ATOM 0 HD21 LEU A 29 2.411 10.632 0.439 1.00 54.21 H new ATOM 0 HD22 LEU A 29 4.190 10.646 0.489 1.00 54.21 H new ATOM 0 HD23 LEU A 29 3.301 12.115 0.021 1.00 54.21 H new ATOM 405 N GLU A 30 3.770 9.452 -4.771 1.00 72.20 N ATOM 406 CA GLU A 30 2.829 8.536 -5.406 1.00 55.10 C ATOM 407 C GLU A 30 2.790 7.199 -4.671 1.00 15.15 C ATOM 408 O GLU A 30 3.785 6.773 -4.084 1.00 75.44 O ATOM 409 CB GLU A 30 3.209 8.315 -6.871 1.00 21.22 C ATOM 410 CG GLU A 30 2.092 7.709 -7.704 1.00 34.02 C ATOM 411 CD GLU A 30 2.594 7.105 -9.001 1.00 41.11 C ATOM 412 OE1 GLU A 30 2.991 5.921 -8.989 1.00 42.21 O ATOM 413 OE2 GLU A 30 2.590 7.815 -10.028 1.00 1.12 O ATOM 0 H GLU A 30 4.730 9.109 -4.729 1.00 72.20 H new ATOM 0 HA GLU A 30 1.837 8.985 -5.359 1.00 55.10 H new ATOM 0 HB2 GLU A 30 3.502 9.269 -7.310 1.00 21.22 H new ATOM 0 HB3 GLU A 30 4.081 7.662 -6.917 1.00 21.22 H new ATOM 0 HG2 GLU A 30 1.586 6.940 -7.121 1.00 34.02 H new ATOM 0 HG3 GLU A 30 1.352 8.478 -7.928 1.00 34.02 H new ATOM 418 N TRP A 31 1.635 6.546 -4.706 1.00 40.40 N ATOM 419 CA TRP A 31 1.466 5.258 -4.043 1.00 1.24 C ATOM 420 C TRP A 31 1.395 4.126 -5.063 1.00 3.03 C ATOM 421 O TRP A 31 0.725 4.243 -6.089 1.00 33.42 O ATOM 422 CB TRP A 31 0.202 5.267 -3.182 1.00 73.34 C ATOM 423 CG TRP A 31 0.344 6.070 -1.926 1.00 33.55 C ATOM 424 CD1 TRP A 31 0.554 5.591 -0.664 1.00 62.04 C ATOM 425 CD2 TRP A 31 0.287 7.497 -1.809 1.00 44.43 C ATOM 426 NE1 TRP A 31 0.630 6.630 0.229 1.00 34.33 N ATOM 427 CE2 TRP A 31 0.470 7.811 -0.448 1.00 62.23 C ATOM 428 CE3 TRP A 31 0.103 8.538 -2.722 1.00 65.05 C ATOM 429 CZ2 TRP A 31 0.471 9.123 0.018 1.00 64.31 C ATOM 430 CZ3 TRP A 31 0.103 9.840 -2.258 1.00 4.52 C ATOM 431 CH2 TRP A 31 0.287 10.123 -0.898 1.00 71.51 C ATOM 0 H TRP A 31 0.802 6.886 -5.186 1.00 40.40 H new ATOM 0 HA TRP A 31 2.332 5.090 -3.402 1.00 1.24 H new ATOM 0 HB2 TRP A 31 -0.625 5.667 -3.768 1.00 73.34 H new ATOM 0 HB3 TRP A 31 -0.058 4.241 -2.921 1.00 73.34 H new ATOM 0 HD1 TRP A 31 0.647 4.546 -0.407 1.00 62.04 H new ATOM 0 HE1 TRP A 31 0.781 6.538 1.234 1.00 34.33 H new ATOM 0 HE3 TRP A 31 -0.037 8.329 -3.772 1.00 65.05 H new ATOM 0 HZ2 TRP A 31 0.612 9.344 1.066 1.00 64.31 H new ATOM 0 HZ3 TRP A 31 -0.041 10.652 -2.955 1.00 4.52 H new ATOM 0 HH2 TRP A 31 0.284 11.151 -0.566 1.00 71.51 H new ATOM 441 N LYS A 32 2.088 3.030 -4.774 1.00 22.53 N ATOM 442 CA LYS A 32 2.101 1.876 -5.664 1.00 3.43 C ATOM 443 C LYS A 32 2.027 0.575 -4.870 1.00 30.15 C ATOM 444 O LYS A 32 2.575 0.473 -3.773 1.00 15.24 O ATOM 445 CB LYS A 32 3.365 1.887 -6.528 1.00 12.42 C ATOM 446 CG LYS A 32 3.106 1.559 -7.987 1.00 43.45 C ATOM 447 CD LYS A 32 3.630 2.650 -8.905 1.00 61.35 C ATOM 448 CE LYS A 32 4.099 2.082 -10.236 1.00 35.11 C ATOM 449 NZ LYS A 32 5.140 2.940 -10.869 1.00 3.45 N ATOM 0 H LYS A 32 2.648 2.917 -3.929 1.00 22.53 H new ATOM 0 HA LYS A 32 1.225 1.937 -6.310 1.00 3.43 H new ATOM 0 HB2 LYS A 32 3.831 2.870 -6.462 1.00 12.42 H new ATOM 0 HB3 LYS A 32 4.078 1.168 -6.124 1.00 12.42 H new ATOM 0 HG2 LYS A 32 3.582 0.611 -8.238 1.00 43.45 H new ATOM 0 HG3 LYS A 32 2.036 1.430 -8.147 1.00 43.45 H new ATOM 0 HD2 LYS A 32 2.847 3.388 -9.079 1.00 61.35 H new ATOM 0 HD3 LYS A 32 4.456 3.170 -8.419 1.00 61.35 H new ATOM 0 HE2 LYS A 32 4.499 1.080 -10.083 1.00 35.11 H new ATOM 0 HE3 LYS A 32 3.248 1.986 -10.910 1.00 35.11 H new ATOM 0 HZ1 LYS A 32 5.434 2.519 -11.774 1.00 3.45 H new ATOM 0 HZ2 LYS A 32 4.751 3.889 -11.039 1.00 3.45 H new ATOM 0 HZ3 LYS A 32 5.963 3.011 -10.237 1.00 3.45 H new ATOM 459 N LEU A 33 1.345 -0.416 -5.432 1.00 3.53 N ATOM 460 CA LEU A 33 1.199 -1.712 -4.777 1.00 54.22 C ATOM 461 C LEU A 33 0.904 -2.808 -5.796 1.00 71.13 C ATOM 462 O LEU A 33 0.112 -2.614 -6.718 1.00 35.41 O ATOM 463 CB LEU A 33 0.084 -1.656 -3.733 1.00 3.31 C ATOM 464 CG LEU A 33 -1.011 -0.617 -3.977 1.00 71.41 C ATOM 465 CD1 LEU A 33 -2.372 -1.171 -3.580 1.00 51.43 C ATOM 466 CD2 LEU A 33 -0.711 0.665 -3.213 1.00 1.12 C ATOM 0 H LEU A 33 0.884 -0.348 -6.339 1.00 3.53 H new ATOM 0 HA LEU A 33 2.140 -1.948 -4.281 1.00 54.22 H new ATOM 0 HB2 LEU A 33 -0.382 -2.640 -3.675 1.00 3.31 H new ATOM 0 HB3 LEU A 33 0.534 -1.459 -2.760 1.00 3.31 H new ATOM 0 HG LEU A 33 -1.033 -0.385 -5.042 1.00 71.41 H new ATOM 0 HD11 LEU A 33 -3.138 -0.417 -3.761 1.00 51.43 H new ATOM 0 HD12 LEU A 33 -2.590 -2.060 -4.172 1.00 51.43 H new ATOM 0 HD13 LEU A 33 -2.364 -1.433 -2.522 1.00 51.43 H new ATOM 0 HD21 LEU A 33 -1.501 1.393 -3.399 1.00 1.12 H new ATOM 0 HD22 LEU A 33 -0.660 0.449 -2.146 1.00 1.12 H new ATOM 0 HD23 LEU A 33 0.243 1.072 -3.547 1.00 1.12 H new ATOM 477 N ASN A 34 1.544 -3.960 -5.622 1.00 33.42 N ATOM 478 CA ASN A 34 1.347 -5.087 -6.526 1.00 75.35 C ATOM 479 C ASN A 34 0.642 -6.238 -5.816 1.00 53.23 C ATOM 480 O ASN A 34 1.058 -6.665 -4.739 1.00 1.14 O ATOM 481 CB ASN A 34 2.692 -5.562 -7.081 1.00 44.24 C ATOM 482 CG ASN A 34 2.543 -6.327 -8.382 1.00 3.04 C ATOM 483 OD1 ASN A 34 1.865 -7.468 -8.322 1.00 44.13 O flip ATOM 484 ND2 ASN A 34 3.030 -5.898 -9.427 1.00 3.13 N flip ATOM 0 H ASN A 34 2.203 -4.137 -4.864 1.00 33.42 H new ATOM 0 HA ASN A 34 0.717 -4.754 -7.351 1.00 75.35 H new ATOM 0 HB2 ASN A 34 3.340 -4.701 -7.241 1.00 44.24 H new ATOM 0 HB3 ASN A 34 3.182 -6.197 -6.343 1.00 44.24 H new ATOM 0 HD21 ASN A 34 3.543 -5.016 -9.426 1.00 3.13 H new ATOM 0 HD22 ASN A 34 2.921 -6.424 -10.294 1.00 3.13 H new ATOM 490 N THR A 35 -0.428 -6.737 -6.427 1.00 1.03 N ATOM 491 CA THR A 35 -1.192 -7.838 -5.853 1.00 72.11 C ATOM 492 C THR A 35 -1.555 -8.868 -6.917 1.00 31.13 C ATOM 493 O THR A 35 -1.222 -8.707 -8.090 1.00 23.34 O ATOM 494 CB THR A 35 -2.482 -7.335 -5.179 1.00 71.44 C ATOM 495 OG1 THR A 35 -3.517 -7.179 -6.158 1.00 33.21 O ATOM 496 CG2 THR A 35 -2.242 -6.009 -4.472 1.00 64.52 C ATOM 0 H THR A 35 -0.785 -6.396 -7.319 1.00 1.03 H new ATOM 0 HA THR A 35 -0.557 -8.306 -5.100 1.00 72.11 H new ATOM 0 HB THR A 35 -2.790 -8.073 -4.438 1.00 71.44 H new ATOM 0 HG1 THR A 35 -4.296 -7.714 -5.898 1.00 33.21 H new ATOM 0 HG21 THR A 35 -3.167 -5.674 -4.004 1.00 64.52 H new ATOM 0 HG22 THR A 35 -1.475 -6.137 -3.709 1.00 64.52 H new ATOM 0 HG23 THR A 35 -1.912 -5.265 -5.197 1.00 64.52 H new ATOM 504 N GLY A 36 -2.241 -9.927 -6.498 1.00 21.42 N ATOM 505 CA GLY A 36 -2.639 -10.967 -7.428 1.00 12.42 C ATOM 506 C GLY A 36 -1.467 -11.808 -7.894 1.00 70.24 C ATOM 507 O GLY A 36 -0.703 -12.326 -7.080 1.00 13.21 O ATOM 0 H GLY A 36 -2.528 -10.083 -5.532 1.00 21.42 H new ATOM 0 HA2 GLY A 36 -3.378 -11.612 -6.953 1.00 12.42 H new ATOM 0 HA3 GLY A 36 -3.122 -10.512 -8.293 1.00 12.42 H new ATOM 511 N ARG A 37 -1.324 -11.944 -9.208 1.00 23.01 N ATOM 512 CA ARG A 37 -0.239 -12.730 -9.782 1.00 51.22 C ATOM 513 C ARG A 37 0.746 -11.834 -10.527 1.00 2.11 C ATOM 514 O ARG A 37 1.957 -12.055 -10.489 1.00 24.31 O ATOM 515 CB ARG A 37 -0.794 -13.794 -10.730 1.00 24.31 C ATOM 516 CG ARG A 37 -1.948 -14.591 -10.142 1.00 24.43 C ATOM 517 CD ARG A 37 -1.484 -15.484 -9.003 1.00 42.35 C ATOM 518 NE ARG A 37 -2.590 -15.896 -8.143 1.00 62.33 N ATOM 519 CZ ARG A 37 -3.521 -16.768 -8.512 1.00 5.03 C ATOM 520 NH1 ARG A 37 -3.480 -17.319 -9.716 1.00 11.40 N ATOM 521 NH2 ARG A 37 -4.497 -17.093 -7.672 1.00 74.44 N ATOM 0 H ARG A 37 -1.947 -11.520 -9.896 1.00 23.01 H new ATOM 0 HA ARG A 37 0.289 -13.222 -8.965 1.00 51.22 H new ATOM 0 HB2 ARG A 37 -1.127 -13.312 -11.649 1.00 24.31 H new ATOM 0 HB3 ARG A 37 0.008 -14.480 -11.003 1.00 24.31 H new ATOM 0 HG2 ARG A 37 -2.717 -13.908 -9.780 1.00 24.43 H new ATOM 0 HG3 ARG A 37 -2.405 -15.201 -10.921 1.00 24.43 H new ATOM 0 HD2 ARG A 37 -0.995 -16.368 -9.412 1.00 42.35 H new ATOM 0 HD3 ARG A 37 -0.740 -14.955 -8.408 1.00 42.35 H new ATOM 0 HE ARG A 37 -2.651 -15.492 -7.208 1.00 62.33 H new ATOM 0 HH11 ARG A 37 -2.731 -17.074 -10.364 1.00 11.40 H new ATOM 0 HH12 ARG A 37 -4.197 -17.988 -9.995 1.00 11.40 H new ATOM 0 HH21 ARG A 37 -4.532 -16.673 -6.743 1.00 74.44 H new ATOM 0 HH22 ARG A 37 -5.212 -17.763 -7.956 1.00 74.44 H new ATOM 532 N THR A 38 0.219 -10.821 -11.207 1.00 21.53 N ATOM 533 CA THR A 38 1.050 -9.891 -11.964 1.00 4.52 C ATOM 534 C THR A 38 0.203 -8.823 -12.642 1.00 33.25 C ATOM 535 O THR A 38 0.657 -7.698 -12.849 1.00 34.44 O ATOM 536 CB THR A 38 1.883 -10.626 -13.031 1.00 41.02 C ATOM 537 OG1 THR A 38 2.911 -9.762 -13.530 1.00 23.24 O ATOM 538 CG2 THR A 38 1.000 -11.090 -14.180 1.00 35.11 C ATOM 0 H THR A 38 -0.781 -10.623 -11.249 1.00 21.53 H new ATOM 0 HA THR A 38 1.724 -9.415 -11.251 1.00 4.52 H new ATOM 0 HB THR A 38 2.338 -11.501 -12.567 1.00 41.02 H new ATOM 0 HG1 THR A 38 3.437 -10.237 -14.207 1.00 23.24 H new ATOM 0 HG21 THR A 38 1.609 -11.606 -14.922 1.00 35.11 H new ATOM 0 HG22 THR A 38 0.237 -11.769 -13.801 1.00 35.11 H new ATOM 0 HG23 THR A 38 0.520 -10.227 -14.642 1.00 35.11 H new ATOM 546 N GLU A 39 -1.030 -9.181 -12.985 1.00 63.02 N ATOM 547 CA GLU A 39 -1.941 -8.250 -13.641 1.00 65.20 C ATOM 548 C GLU A 39 -2.973 -7.711 -12.653 1.00 73.43 C ATOM 549 O GLU A 39 -4.119 -7.446 -13.018 1.00 51.42 O ATOM 550 CB GLU A 39 -2.649 -8.934 -14.811 1.00 71.14 C ATOM 551 CG GLU A 39 -3.080 -10.360 -14.514 1.00 25.33 C ATOM 552 CD GLU A 39 -3.815 -11.002 -15.675 1.00 55.32 C ATOM 553 OE1 GLU A 39 -3.822 -10.410 -16.773 1.00 24.32 O ATOM 554 OE2 GLU A 39 -4.381 -12.100 -15.484 1.00 33.14 O ATOM 0 H GLU A 39 -1.421 -10.108 -12.820 1.00 63.02 H new ATOM 0 HA GLU A 39 -1.354 -7.413 -14.020 1.00 65.20 H new ATOM 0 HB2 GLU A 39 -3.526 -8.348 -15.086 1.00 71.14 H new ATOM 0 HB3 GLU A 39 -1.984 -8.937 -15.675 1.00 71.14 H new ATOM 0 HG2 GLU A 39 -2.202 -10.958 -14.270 1.00 25.33 H new ATOM 0 HG3 GLU A 39 -3.723 -10.365 -13.634 1.00 25.33 H new ATOM 559 N ALA A 40 -2.557 -7.552 -11.401 1.00 41.22 N ATOM 560 CA ALA A 40 -3.444 -7.043 -10.361 1.00 44.52 C ATOM 561 C ALA A 40 -2.861 -5.797 -9.704 1.00 52.01 C ATOM 562 O ALA A 40 -3.516 -5.150 -8.888 1.00 23.41 O ATOM 563 CB ALA A 40 -3.705 -8.119 -9.318 1.00 45.42 C ATOM 0 H ALA A 40 -1.613 -7.768 -11.082 1.00 41.22 H new ATOM 0 HA ALA A 40 -4.390 -6.767 -10.827 1.00 44.52 H new ATOM 0 HB1 ALA A 40 -4.368 -7.726 -8.548 1.00 45.42 H new ATOM 0 HB2 ALA A 40 -4.172 -8.981 -9.794 1.00 45.42 H new ATOM 0 HB3 ALA A 40 -2.762 -8.422 -8.864 1.00 45.42 H new ATOM 569 N TRP A 41 -1.626 -5.467 -10.065 1.00 0.45 N ATOM 570 CA TRP A 41 -0.954 -4.297 -9.507 1.00 44.32 C ATOM 571 C TRP A 41 -1.736 -3.025 -9.814 1.00 14.11 C ATOM 572 O TRP A 41 -2.144 -2.794 -10.952 1.00 33.35 O ATOM 573 CB TRP A 41 0.465 -4.187 -10.065 1.00 54.24 C ATOM 574 CG TRP A 41 0.506 -3.782 -11.507 1.00 53.52 C ATOM 575 CD1 TRP A 41 0.162 -4.547 -12.584 1.00 2.32 C ATOM 576 CD2 TRP A 41 0.920 -2.515 -12.030 1.00 31.50 C ATOM 577 NE1 TRP A 41 0.334 -3.833 -13.745 1.00 34.41 N ATOM 578 CE2 TRP A 41 0.799 -2.583 -13.431 1.00 74.51 C ATOM 579 CE3 TRP A 41 1.380 -1.329 -11.451 1.00 41.03 C ATOM 580 CZ2 TRP A 41 1.119 -1.509 -14.260 1.00 11.53 C ATOM 581 CZ3 TRP A 41 1.698 -0.265 -12.273 1.00 52.51 C ATOM 582 CH2 TRP A 41 1.567 -0.361 -13.665 1.00 61.14 C ATOM 0 H TRP A 41 -1.070 -5.991 -10.740 1.00 0.45 H new ATOM 0 HA TRP A 41 -0.903 -4.417 -8.425 1.00 44.32 H new ATOM 0 HB2 TRP A 41 1.024 -3.461 -9.475 1.00 54.24 H new ATOM 0 HB3 TRP A 41 0.968 -5.147 -9.950 1.00 54.24 H new ATOM 0 HD1 TRP A 41 -0.194 -5.565 -12.531 1.00 2.32 H new ATOM 0 HE1 TRP A 41 0.146 -4.177 -14.687 1.00 34.41 H new ATOM 0 HE3 TRP A 41 1.485 -1.246 -10.379 1.00 41.03 H new ATOM 0 HZ2 TRP A 41 1.017 -1.580 -15.333 1.00 11.53 H new ATOM 0 HZ3 TRP A 41 2.054 0.656 -11.835 1.00 52.51 H new ATOM 0 HH2 TRP A 41 1.825 0.488 -14.281 1.00 61.14 H new ATOM 592 N LYS A 42 -1.939 -2.201 -8.791 1.00 63.01 N ATOM 593 CA LYS A 42 -2.671 -0.950 -8.951 1.00 1.03 C ATOM 594 C LYS A 42 -1.886 0.217 -8.360 1.00 21.51 C ATOM 595 O LYS A 42 -1.102 0.043 -7.427 1.00 11.33 O ATOM 596 CB LYS A 42 -4.043 -1.047 -8.281 1.00 11.33 C ATOM 597 CG LYS A 42 -3.979 -1.474 -6.824 1.00 42.10 C ATOM 598 CD LYS A 42 -4.348 -2.939 -6.656 1.00 22.05 C ATOM 599 CE LYS A 42 -4.081 -3.422 -5.239 1.00 31.11 C ATOM 600 NZ LYS A 42 -4.952 -2.737 -4.244 1.00 73.24 N ATOM 0 H LYS A 42 -1.607 -2.377 -7.843 1.00 63.01 H new ATOM 0 HA LYS A 42 -2.808 -0.772 -10.018 1.00 1.03 H new ATOM 0 HB2 LYS A 42 -4.539 -0.079 -8.346 1.00 11.33 H new ATOM 0 HB3 LYS A 42 -4.658 -1.758 -8.833 1.00 11.33 H new ATOM 0 HG2 LYS A 42 -2.974 -1.304 -6.438 1.00 42.10 H new ATOM 0 HG3 LYS A 42 -4.656 -0.857 -6.233 1.00 42.10 H new ATOM 0 HD2 LYS A 42 -5.402 -3.080 -6.897 1.00 22.05 H new ATOM 0 HD3 LYS A 42 -3.776 -3.542 -7.361 1.00 22.05 H new ATOM 0 HE2 LYS A 42 -4.246 -4.498 -5.185 1.00 31.11 H new ATOM 0 HE3 LYS A 42 -3.035 -3.247 -4.987 1.00 31.11 H new ATOM 0 HZ1 LYS A 42 -4.681 -3.032 -3.284 1.00 73.24 H new ATOM 0 HZ2 LYS A 42 -4.839 -1.707 -4.335 1.00 73.24 H new ATOM 0 HZ3 LYS A 42 -5.945 -2.993 -4.417 1.00 73.24 H new ATOM 610 N VAL A 43 -2.104 1.409 -8.907 1.00 31.40 N ATOM 611 CA VAL A 43 -1.421 2.606 -8.431 1.00 40.50 C ATOM 612 C VAL A 43 -2.362 3.492 -7.623 1.00 13.23 C ATOM 613 O VAL A 43 -3.401 3.927 -8.119 1.00 75.22 O ATOM 614 CB VAL A 43 -0.841 3.423 -9.601 1.00 20.12 C ATOM 615 CG1 VAL A 43 0.017 4.566 -9.082 1.00 4.53 C ATOM 616 CG2 VAL A 43 -0.042 2.526 -10.534 1.00 0.54 C ATOM 0 H VAL A 43 -2.749 1.571 -9.681 1.00 31.40 H new ATOM 0 HA VAL A 43 -0.605 2.271 -7.791 1.00 40.50 H new ATOM 0 HB VAL A 43 -1.669 3.851 -10.167 1.00 20.12 H new ATOM 0 HG11 VAL A 43 0.418 5.131 -9.923 1.00 4.53 H new ATOM 0 HG12 VAL A 43 -0.590 5.223 -8.460 1.00 4.53 H new ATOM 0 HG13 VAL A 43 0.840 4.164 -8.490 1.00 4.53 H new ATOM 0 HG21 VAL A 43 0.360 3.120 -11.354 1.00 0.54 H new ATOM 0 HG22 VAL A 43 0.778 2.067 -9.983 1.00 0.54 H new ATOM 0 HG23 VAL A 43 -0.691 1.747 -10.934 1.00 0.54 H new ATOM 626 N LEU A 44 -1.990 3.757 -6.376 1.00 4.41 N ATOM 627 CA LEU A 44 -2.801 4.593 -5.496 1.00 50.12 C ATOM 628 C LEU A 44 -2.401 6.060 -5.621 1.00 60.22 C ATOM 629 O LEU A 44 -1.233 6.379 -5.837 1.00 72.44 O ATOM 630 CB LEU A 44 -2.654 4.134 -4.046 1.00 11.34 C ATOM 631 CG LEU A 44 -3.700 3.136 -3.547 1.00 32.40 C ATOM 632 CD1 LEU A 44 -5.037 3.829 -3.330 1.00 75.30 C ATOM 633 CD2 LEU A 44 -3.849 1.984 -4.529 1.00 42.23 C ATOM 0 H LEU A 44 -1.132 3.405 -5.951 1.00 4.41 H new ATOM 0 HA LEU A 44 -3.844 4.492 -5.797 1.00 50.12 H new ATOM 0 HB2 LEU A 44 -1.668 3.686 -3.926 1.00 11.34 H new ATOM 0 HB3 LEU A 44 -2.685 5.014 -3.403 1.00 11.34 H new ATOM 0 HG LEU A 44 -3.363 2.732 -2.592 1.00 32.40 H new ATOM 0 HD11 LEU A 44 -5.769 3.104 -2.975 1.00 75.30 H new ATOM 0 HD12 LEU A 44 -4.921 4.620 -2.589 1.00 75.30 H new ATOM 0 HD13 LEU A 44 -5.380 4.260 -4.270 1.00 75.30 H new ATOM 0 HD21 LEU A 44 -4.597 1.284 -4.158 1.00 42.23 H new ATOM 0 HD22 LEU A 44 -4.163 2.371 -5.498 1.00 42.23 H new ATOM 0 HD23 LEU A 44 -2.893 1.471 -4.636 1.00 42.23 H new ATOM 644 N SER A 45 -3.381 6.947 -5.481 1.00 33.03 N ATOM 645 CA SER A 45 -3.133 8.382 -5.578 1.00 21.14 C ATOM 646 C SER A 45 -3.645 9.107 -4.338 1.00 64.43 C ATOM 647 O SER A 45 -4.576 8.661 -3.666 1.00 70.12 O ATOM 648 CB SER A 45 -3.801 8.952 -6.831 1.00 22.41 C ATOM 649 OG SER A 45 -4.999 9.637 -6.503 1.00 53.55 O ATOM 0 H SER A 45 -4.354 6.698 -5.300 1.00 33.03 H new ATOM 0 HA SER A 45 -2.056 8.537 -5.647 1.00 21.14 H new ATOM 0 HB2 SER A 45 -3.115 9.633 -7.335 1.00 22.41 H new ATOM 0 HB3 SER A 45 -4.020 8.145 -7.530 1.00 22.41 H new ATOM 0 HG SER A 45 -5.406 9.993 -7.320 1.00 53.55 H new ATOM 772 N ALA A 56 -8.419 0.520 -2.706 1.00 23.24 N ATOM 773 CA ALA A 56 -8.160 1.272 -1.485 1.00 4.24 C ATOM 774 C ALA A 56 -8.024 2.763 -1.775 1.00 53.12 C ATOM 775 O ALA A 56 -8.002 3.179 -2.934 1.00 63.32 O ATOM 776 CB ALA A 56 -6.905 0.749 -0.799 1.00 74.30 C ATOM 0 HA ALA A 56 -9.010 1.135 -0.817 1.00 4.24 H new ATOM 0 HB1 ALA A 56 -6.723 1.320 0.112 1.00 74.30 H new ATOM 0 HB2 ALA A 56 -7.040 -0.303 -0.547 1.00 74.30 H new ATOM 0 HB3 ALA A 56 -6.052 0.855 -1.470 1.00 74.30 H new ATOM 782 N ARG A 57 -7.932 3.561 -0.717 1.00 32.23 N ATOM 783 CA ARG A 57 -7.799 5.006 -0.860 1.00 65.54 C ATOM 784 C ARG A 57 -6.576 5.518 -0.104 1.00 21.33 C ATOM 785 O ARG A 57 -6.014 4.815 0.736 1.00 71.31 O ATOM 786 CB ARG A 57 -9.059 5.708 -0.350 1.00 50.20 C ATOM 787 CG ARG A 57 -9.883 4.861 0.606 1.00 30.33 C ATOM 788 CD ARG A 57 -9.144 4.616 1.912 1.00 21.52 C ATOM 789 NE ARG A 57 -9.504 5.593 2.937 1.00 43.43 N ATOM 790 CZ ARG A 57 -10.624 5.533 3.648 1.00 3.34 C ATOM 791 NH1 ARG A 57 -11.488 4.546 3.448 1.00 73.12 N ATOM 792 NH2 ARG A 57 -10.882 6.458 4.564 1.00 73.13 N ATOM 0 H ARG A 57 -7.947 3.232 0.248 1.00 32.23 H new ATOM 0 HA ARG A 57 -7.669 5.231 -1.919 1.00 65.54 H new ATOM 0 HB2 ARG A 57 -8.772 6.632 0.152 1.00 50.20 H new ATOM 0 HB3 ARG A 57 -9.679 5.987 -1.202 1.00 50.20 H new ATOM 0 HG2 ARG A 57 -10.831 5.359 0.811 1.00 30.33 H new ATOM 0 HG3 ARG A 57 -10.120 3.906 0.136 1.00 30.33 H new ATOM 0 HD2 ARG A 57 -9.369 3.612 2.273 1.00 21.52 H new ATOM 0 HD3 ARG A 57 -8.069 4.657 1.734 1.00 21.52 H new ATOM 0 HE ARG A 57 -8.860 6.363 3.116 1.00 43.43 H new ATOM 0 HH11 ARG A 57 -11.293 3.831 2.747 1.00 73.12 H new ATOM 0 HH12 ARG A 57 -12.348 4.502 3.995 1.00 73.12 H new ATOM 0 HH21 ARG A 57 -10.219 7.217 4.723 1.00 73.13 H new ATOM 0 HH22 ARG A 57 -11.743 6.410 5.109 1.00 73.13 H new ATOM 803 N VAL A 58 -6.170 6.746 -0.408 1.00 61.41 N ATOM 804 CA VAL A 58 -5.016 7.353 0.242 1.00 12.35 C ATOM 805 C VAL A 58 -5.446 8.426 1.236 1.00 34.24 C ATOM 806 O VAL A 58 -6.241 9.308 0.909 1.00 22.32 O ATOM 807 CB VAL A 58 -4.055 7.977 -0.787 1.00 3.32 C ATOM 808 CG1 VAL A 58 -2.951 8.754 -0.085 1.00 4.31 C ATOM 809 CG2 VAL A 58 -3.470 6.901 -1.689 1.00 42.51 C ATOM 0 H VAL A 58 -6.624 7.341 -1.101 1.00 61.41 H new ATOM 0 HA VAL A 58 -4.498 6.556 0.774 1.00 12.35 H new ATOM 0 HB VAL A 58 -4.618 8.674 -1.408 1.00 3.32 H new ATOM 0 HG11 VAL A 58 -2.282 9.188 -0.828 1.00 4.31 H new ATOM 0 HG12 VAL A 58 -3.391 9.550 0.515 1.00 4.31 H new ATOM 0 HG13 VAL A 58 -2.388 8.082 0.562 1.00 4.31 H new ATOM 0 HG21 VAL A 58 -2.793 7.359 -2.410 1.00 42.51 H new ATOM 0 HG22 VAL A 58 -2.921 6.178 -1.085 1.00 42.51 H new ATOM 0 HG23 VAL A 58 -4.276 6.393 -2.219 1.00 42.51 H new ATOM 819 N LEU A 59 -4.914 8.347 2.451 1.00 24.01 N ATOM 820 CA LEU A 59 -5.241 9.312 3.494 1.00 1.25 C ATOM 821 C LEU A 59 -4.633 10.676 3.184 1.00 23.21 C ATOM 822 O LEU A 59 -3.675 10.797 2.421 1.00 64.23 O ATOM 823 CB LEU A 59 -4.742 8.815 4.852 1.00 74.10 C ATOM 824 CG LEU A 59 -5.635 7.800 5.566 1.00 3.31 C ATOM 825 CD1 LEU A 59 -4.904 7.180 6.745 1.00 12.23 C ATOM 826 CD2 LEU A 59 -6.929 8.458 6.025 1.00 40.01 C ATOM 0 H LEU A 59 -4.254 7.624 2.738 1.00 24.01 H new ATOM 0 HA LEU A 59 -6.325 9.418 3.529 1.00 1.25 H new ATOM 0 HB2 LEU A 59 -3.758 8.368 4.713 1.00 74.10 H new ATOM 0 HB3 LEU A 59 -4.611 9.677 5.506 1.00 74.10 H new ATOM 0 HG LEU A 59 -5.883 7.006 4.862 1.00 3.31 H new ATOM 0 HD11 LEU A 59 -5.556 6.461 7.240 1.00 12.23 H new ATOM 0 HD12 LEU A 59 -4.007 6.673 6.391 1.00 12.23 H new ATOM 0 HD13 LEU A 59 -4.624 7.962 7.451 1.00 12.23 H new ATOM 0 HD21 LEU A 59 -7.552 7.721 6.531 1.00 40.01 H new ATOM 0 HD22 LEU A 59 -6.699 9.272 6.712 1.00 40.01 H new ATOM 0 HD23 LEU A 59 -7.463 8.853 5.161 1.00 40.01 H new ATOM 837 N PRO A 60 -5.200 11.730 3.791 1.00 44.02 N ATOM 838 CA PRO A 60 -4.729 13.104 3.598 1.00 22.01 C ATOM 839 C PRO A 60 -3.367 13.344 4.238 1.00 53.35 C ATOM 840 O PRO A 60 -2.641 14.258 3.849 1.00 52.13 O ATOM 841 CB PRO A 60 -5.802 13.948 4.290 1.00 45.25 C ATOM 842 CG PRO A 60 -6.401 13.040 5.308 1.00 41.54 C ATOM 843 CD PRO A 60 -6.346 11.658 4.714 1.00 72.22 C ATOM 0 HA PRO A 60 -4.594 13.344 2.543 1.00 22.01 H new ATOM 0 HB2 PRO A 60 -5.370 14.834 4.755 1.00 45.25 H new ATOM 0 HB3 PRO A 60 -6.552 14.295 3.579 1.00 45.25 H new ATOM 0 HG2 PRO A 60 -5.846 13.084 6.245 1.00 41.54 H new ATOM 0 HG3 PRO A 60 -7.428 13.328 5.532 1.00 41.54 H new ATOM 0 HD2 PRO A 60 -6.198 10.897 5.480 1.00 72.22 H new ATOM 0 HD3 PRO A 60 -7.269 11.408 4.190 1.00 72.22 H new ATOM 848 N ASN A 61 -3.026 12.517 5.221 1.00 35.15 N ATOM 849 CA ASN A 61 -1.749 12.642 5.916 1.00 72.13 C ATOM 850 C ASN A 61 -0.640 11.930 5.146 1.00 13.41 C ATOM 851 O ASN A 61 0.509 11.893 5.584 1.00 72.21 O ATOM 852 CB ASN A 61 -1.855 12.066 7.330 1.00 61.10 C ATOM 853 CG ASN A 61 -2.703 10.809 7.379 1.00 1.01 C ATOM 854 OD1 ASN A 61 -3.930 10.870 7.304 1.00 51.13 O ATOM 855 ND2 ASN A 61 -2.049 9.660 7.507 1.00 70.35 N ATOM 0 H ASN A 61 -3.615 11.754 5.554 1.00 35.15 H new ATOM 0 HA ASN A 61 -1.501 13.701 5.981 1.00 72.13 H new ATOM 0 HB2 ASN A 61 -0.856 11.842 7.704 1.00 61.10 H new ATOM 0 HB3 ASN A 61 -2.284 12.817 7.994 1.00 61.10 H new ATOM 0 HD21 ASN A 61 -2.565 8.781 7.547 1.00 70.35 H new ATOM 0 HD22 ASN A 61 -1.031 9.657 7.565 1.00 70.35 H new ATOM 861 N GLY A 62 -0.993 11.364 3.996 1.00 20.11 N ATOM 862 CA GLY A 62 -0.018 10.661 3.185 1.00 45.20 C ATOM 863 C GLY A 62 0.076 9.189 3.536 1.00 13.41 C ATOM 864 O GLY A 62 1.127 8.571 3.370 1.00 52.42 O ATOM 0 H GLY A 62 -1.938 11.380 3.612 1.00 20.11 H new ATOM 0 HA2 GLY A 62 -0.283 10.764 2.133 1.00 45.20 H new ATOM 0 HA3 GLY A 62 0.960 11.125 3.314 1.00 45.20 H new ATOM 868 N SER A 63 -1.025 8.626 4.023 1.00 32.24 N ATOM 869 CA SER A 63 -1.061 7.220 4.405 1.00 41.30 C ATOM 870 C SER A 63 -1.972 6.428 3.473 1.00 73.25 C ATOM 871 O SER A 63 -2.538 6.975 2.525 1.00 72.13 O ATOM 872 CB SER A 63 -1.539 7.073 5.850 1.00 14.25 C ATOM 873 OG SER A 63 -0.542 7.499 6.763 1.00 60.44 O ATOM 0 H SER A 63 -1.905 9.123 4.162 1.00 32.24 H new ATOM 0 HA SER A 63 -0.050 6.821 4.323 1.00 41.30 H new ATOM 0 HB2 SER A 63 -2.446 7.659 5.998 1.00 14.25 H new ATOM 0 HB3 SER A 63 -1.796 6.032 6.047 1.00 14.25 H new ATOM 0 HG SER A 63 -0.873 7.397 7.680 1.00 60.44 H new ATOM 878 N LEU A 64 -2.110 5.135 3.748 1.00 34.30 N ATOM 879 CA LEU A 64 -2.953 4.266 2.935 1.00 61.34 C ATOM 880 C LEU A 64 -3.945 3.500 3.805 1.00 53.24 C ATOM 881 O LEU A 64 -3.561 2.863 4.787 1.00 55.45 O ATOM 882 CB LEU A 64 -2.090 3.283 2.139 1.00 74.40 C ATOM 883 CG LEU A 64 -2.839 2.167 1.412 1.00 31.33 C ATOM 884 CD1 LEU A 64 -3.557 2.716 0.189 1.00 63.23 C ATOM 885 CD2 LEU A 64 -1.882 1.053 1.016 1.00 33.10 C ATOM 0 H LEU A 64 -1.649 4.666 4.528 1.00 34.30 H new ATOM 0 HA LEU A 64 -3.514 4.892 2.241 1.00 61.34 H new ATOM 0 HB2 LEU A 64 -1.517 3.847 1.403 1.00 74.40 H new ATOM 0 HB3 LEU A 64 -1.372 2.827 2.821 1.00 74.40 H new ATOM 0 HG LEU A 64 -3.585 1.753 2.091 1.00 31.33 H new ATOM 0 HD11 LEU A 64 -4.085 1.907 -0.316 1.00 63.23 H new ATOM 0 HD12 LEU A 64 -4.272 3.478 0.498 1.00 63.23 H new ATOM 0 HD13 LEU A 64 -2.829 3.156 -0.493 1.00 63.23 H new ATOM 0 HD21 LEU A 64 -2.433 0.267 0.499 1.00 33.10 H new ATOM 0 HD22 LEU A 64 -1.113 1.452 0.355 1.00 33.10 H new ATOM 0 HD23 LEU A 64 -1.414 0.641 1.910 1.00 33.10 H new ATOM 896 N PHE A 65 -5.219 3.563 3.436 1.00 61.40 N ATOM 897 CA PHE A 65 -6.265 2.875 4.183 1.00 52.22 C ATOM 898 C PHE A 65 -7.074 1.960 3.267 1.00 53.04 C ATOM 899 O PHE A 65 -7.423 2.335 2.146 1.00 72.32 O ATOM 900 CB PHE A 65 -7.192 3.889 4.856 1.00 2.01 C ATOM 901 CG PHE A 65 -8.243 3.256 5.725 1.00 12.01 C ATOM 902 CD1 PHE A 65 -9.406 2.749 5.168 1.00 12.11 C ATOM 903 CD2 PHE A 65 -8.066 3.169 7.095 1.00 62.31 C ATOM 904 CE1 PHE A 65 -10.375 2.168 5.965 1.00 40.35 C ATOM 905 CE2 PHE A 65 -9.031 2.588 7.897 1.00 61.43 C ATOM 906 CZ PHE A 65 -10.186 2.085 7.331 1.00 60.51 C ATOM 0 H PHE A 65 -5.552 4.083 2.624 1.00 61.40 H new ATOM 0 HA PHE A 65 -5.788 2.265 4.950 1.00 52.22 H new ATOM 0 HB2 PHE A 65 -6.594 4.571 5.461 1.00 2.01 H new ATOM 0 HB3 PHE A 65 -7.680 4.489 4.088 1.00 2.01 H new ATOM 0 HD1 PHE A 65 -9.557 2.808 4.100 1.00 12.11 H new ATOM 0 HD2 PHE A 65 -7.164 3.559 7.543 1.00 62.31 H new ATOM 0 HE1 PHE A 65 -11.279 1.779 5.520 1.00 40.35 H new ATOM 0 HE2 PHE A 65 -8.882 2.528 8.965 1.00 61.43 H new ATOM 0 HZ PHE A 65 -10.940 1.628 7.955 1.00 60.51 H new ATOM 915 N LEU A 66 -7.368 0.759 3.752 1.00 74.12 N ATOM 916 CA LEU A 66 -8.136 -0.211 2.978 1.00 50.41 C ATOM 917 C LEU A 66 -9.441 -0.562 3.684 1.00 54.42 C ATOM 918 O LEU A 66 -9.456 -0.978 4.842 1.00 4.44 O ATOM 919 CB LEU A 66 -7.309 -1.478 2.749 1.00 43.50 C ATOM 920 CG LEU A 66 -6.035 -1.308 1.921 1.00 43.23 C ATOM 921 CD1 LEU A 66 -4.863 -0.936 2.816 1.00 42.23 C ATOM 922 CD2 LEU A 66 -5.732 -2.581 1.143 1.00 52.41 C ATOM 0 H LEU A 66 -7.087 0.433 4.677 1.00 74.12 H new ATOM 0 HA LEU A 66 -8.377 0.238 2.015 1.00 50.41 H new ATOM 0 HB2 LEU A 66 -7.035 -1.889 3.721 1.00 43.50 H new ATOM 0 HB3 LEU A 66 -7.942 -2.217 2.257 1.00 43.50 H new ATOM 0 HG LEU A 66 -6.192 -0.499 1.208 1.00 43.23 H new ATOM 0 HD11 LEU A 66 -3.965 -0.819 2.210 1.00 42.23 H new ATOM 0 HD12 LEU A 66 -5.080 0.001 3.328 1.00 42.23 H new ATOM 0 HD13 LEU A 66 -4.703 -1.723 3.553 1.00 42.23 H new ATOM 0 HD21 LEU A 66 -4.822 -2.443 0.559 1.00 52.41 H new ATOM 0 HD22 LEU A 66 -5.594 -3.409 1.839 1.00 52.41 H new ATOM 0 HD23 LEU A 66 -6.562 -2.804 0.473 1.00 52.41 H new ATOM 933 N PRO A 67 -10.564 -0.393 2.971 1.00 32.45 N ATOM 934 CA PRO A 67 -11.895 -0.688 3.509 1.00 42.21 C ATOM 935 C PRO A 67 -12.125 -2.183 3.699 1.00 40.30 C ATOM 936 O PRO A 67 -12.842 -2.600 4.608 1.00 70.50 O ATOM 937 CB PRO A 67 -12.841 -0.133 2.441 1.00 11.44 C ATOM 938 CG PRO A 67 -12.046 -0.159 1.180 1.00 5.13 C ATOM 939 CD PRO A 67 -10.622 0.100 1.585 1.00 14.51 C ATOM 0 HA PRO A 67 -12.041 -0.250 4.496 1.00 42.21 H new ATOM 0 HB2 PRO A 67 -13.741 -0.742 2.354 1.00 11.44 H new ATOM 0 HB3 PRO A 67 -13.163 0.879 2.685 1.00 11.44 H new ATOM 0 HG2 PRO A 67 -12.140 -1.122 0.679 1.00 5.13 H new ATOM 0 HG3 PRO A 67 -12.397 0.600 0.481 1.00 5.13 H new ATOM 0 HD2 PRO A 67 -9.919 -0.429 0.941 1.00 14.51 H new ATOM 0 HD3 PRO A 67 -10.374 1.160 1.525 1.00 14.51 H new ATOM 944 N ALA A 68 -11.511 -2.986 2.836 1.00 51.21 N ATOM 945 CA ALA A 68 -11.647 -4.436 2.911 1.00 53.34 C ATOM 946 C ALA A 68 -10.604 -5.131 2.041 1.00 34.30 C ATOM 947 O ALA A 68 -10.758 -5.224 0.824 1.00 62.41 O ATOM 948 CB ALA A 68 -13.049 -4.856 2.494 1.00 11.12 C ATOM 0 H ALA A 68 -10.915 -2.657 2.077 1.00 51.21 H new ATOM 0 HA ALA A 68 -11.480 -4.739 3.945 1.00 53.34 H new ATOM 0 HB1 ALA A 68 -13.137 -5.941 2.555 1.00 11.12 H new ATOM 0 HB2 ALA A 68 -13.780 -4.395 3.159 1.00 11.12 H new ATOM 0 HB3 ALA A 68 -13.236 -4.533 1.470 1.00 11.12 H new ATOM 954 N VAL A 69 -9.541 -5.616 2.676 1.00 54.22 N ATOM 955 CA VAL A 69 -8.472 -6.303 1.960 1.00 20.00 C ATOM 956 C VAL A 69 -8.913 -7.692 1.515 1.00 23.41 C ATOM 957 O VAL A 69 -9.246 -8.543 2.339 1.00 30.32 O ATOM 958 CB VAL A 69 -7.208 -6.431 2.828 1.00 0.15 C ATOM 959 CG1 VAL A 69 -6.618 -5.060 3.120 1.00 31.10 C ATOM 960 CG2 VAL A 69 -7.521 -7.171 4.120 1.00 63.01 C ATOM 0 H VAL A 69 -9.397 -5.546 3.683 1.00 54.22 H new ATOM 0 HA VAL A 69 -8.241 -5.700 1.082 1.00 20.00 H new ATOM 0 HB VAL A 69 -6.467 -7.008 2.275 1.00 0.15 H new ATOM 0 HG11 VAL A 69 -5.725 -5.172 3.735 1.00 31.10 H new ATOM 0 HG12 VAL A 69 -6.354 -4.570 2.183 1.00 31.10 H new ATOM 0 HG13 VAL A 69 -7.351 -4.454 3.652 1.00 31.10 H new ATOM 0 HG21 VAL A 69 -6.615 -7.252 4.721 1.00 63.01 H new ATOM 0 HG22 VAL A 69 -8.280 -6.623 4.679 1.00 63.01 H new ATOM 0 HG23 VAL A 69 -7.892 -8.169 3.887 1.00 63.01 H new ATOM 970 N GLY A 70 -8.915 -7.917 0.204 1.00 35.43 N ATOM 971 CA GLY A 70 -9.317 -9.205 -0.328 1.00 75.24 C ATOM 972 C GLY A 70 -8.131 -10.063 -0.726 1.00 24.52 C ATOM 973 O GLY A 70 -7.019 -9.561 -0.886 1.00 34.33 O ATOM 0 H GLY A 70 -8.645 -7.229 -0.499 1.00 35.43 H new ATOM 0 HA2 GLY A 70 -9.910 -9.734 0.418 1.00 75.24 H new ATOM 0 HA3 GLY A 70 -9.959 -9.052 -1.196 1.00 75.24 H new ATOM 977 N ILE A 71 -8.369 -11.361 -0.884 1.00 70.44 N ATOM 978 CA ILE A 71 -7.314 -12.290 -1.266 1.00 43.11 C ATOM 979 C ILE A 71 -6.615 -11.835 -2.543 1.00 14.14 C ATOM 980 O ILE A 71 -5.434 -12.114 -2.749 1.00 24.52 O ATOM 981 CB ILE A 71 -7.864 -13.712 -1.474 1.00 43.45 C ATOM 982 CG1 ILE A 71 -6.894 -14.747 -0.900 1.00 42.41 C ATOM 983 CG2 ILE A 71 -8.110 -13.974 -2.953 1.00 33.21 C ATOM 984 CD1 ILE A 71 -6.750 -15.984 -1.759 1.00 11.20 C ATOM 0 H ILE A 71 -9.284 -11.793 -0.753 1.00 70.44 H new ATOM 0 HA ILE A 71 -6.595 -12.304 -0.447 1.00 43.11 H new ATOM 0 HB ILE A 71 -8.814 -13.799 -0.946 1.00 43.45 H new ATOM 0 HG12 ILE A 71 -5.915 -14.285 -0.776 1.00 42.41 H new ATOM 0 HG13 ILE A 71 -7.236 -15.042 0.092 1.00 42.41 H new ATOM 0 HG21 ILE A 71 -8.499 -14.984 -3.084 1.00 33.21 H new ATOM 0 HG22 ILE A 71 -8.834 -13.254 -3.335 1.00 33.21 H new ATOM 0 HG23 ILE A 71 -7.173 -13.872 -3.501 1.00 33.21 H new ATOM 0 HD11 ILE A 71 -6.047 -16.673 -1.290 1.00 11.20 H new ATOM 0 HD12 ILE A 71 -7.720 -16.470 -1.863 1.00 11.20 H new ATOM 0 HD13 ILE A 71 -6.379 -15.702 -2.744 1.00 11.20 H new ATOM 995 N GLN A 72 -7.352 -11.131 -3.395 1.00 61.44 N ATOM 996 CA GLN A 72 -6.804 -10.636 -4.652 1.00 15.14 C ATOM 997 C GLN A 72 -5.901 -9.430 -4.413 1.00 53.44 C ATOM 998 O GLN A 72 -5.018 -9.134 -5.219 1.00 64.34 O ATOM 999 CB GLN A 72 -7.932 -10.260 -5.614 1.00 32.21 C ATOM 1000 CG GLN A 72 -8.774 -11.445 -6.055 1.00 44.53 C ATOM 1001 CD GLN A 72 -8.039 -12.359 -7.016 1.00 11.10 C ATOM 1002 OE1 GLN A 72 -7.101 -13.057 -6.633 1.00 64.31 O ATOM 1003 NE2 GLN A 72 -8.462 -12.357 -8.276 1.00 25.04 N ATOM 0 H GLN A 72 -8.331 -10.890 -3.238 1.00 61.44 H new ATOM 0 HA GLN A 72 -6.208 -11.432 -5.098 1.00 15.14 H new ATOM 0 HB2 GLN A 72 -8.578 -9.524 -5.134 1.00 32.21 H new ATOM 0 HB3 GLN A 72 -7.503 -9.782 -6.495 1.00 32.21 H new ATOM 0 HG2 GLN A 72 -9.078 -12.016 -5.178 1.00 44.53 H new ATOM 0 HG3 GLN A 72 -9.685 -11.081 -6.530 1.00 44.53 H new ATOM 0 HE21 GLN A 72 -9.244 -11.762 -8.551 1.00 25.04 H new ATOM 0 HE22 GLN A 72 -8.005 -12.950 -8.968 1.00 25.04 H new ATOM 1010 N ASP A 73 -6.126 -8.738 -3.303 1.00 5.12 N ATOM 1011 CA ASP A 73 -5.333 -7.564 -2.957 1.00 75.24 C ATOM 1012 C ASP A 73 -4.016 -7.973 -2.301 1.00 63.40 C ATOM 1013 O ASP A 73 -3.169 -7.128 -2.012 1.00 2.05 O ATOM 1014 CB ASP A 73 -6.121 -6.647 -2.020 1.00 40.11 C ATOM 1015 CG ASP A 73 -6.947 -5.625 -2.774 1.00 74.51 C ATOM 1016 OD1 ASP A 73 -7.225 -5.850 -3.971 1.00 34.44 O ATOM 1017 OD2 ASP A 73 -7.318 -4.598 -2.167 1.00 34.41 O ATOM 0 H ASP A 73 -6.852 -8.970 -2.626 1.00 5.12 H new ATOM 0 HA ASP A 73 -5.109 -7.023 -3.876 1.00 75.24 H new ATOM 0 HB2 ASP A 73 -6.778 -7.250 -1.393 1.00 40.11 H new ATOM 0 HB3 ASP A 73 -5.429 -6.131 -1.354 1.00 40.11 H new ATOM 1021 N GLU A 74 -3.854 -9.271 -2.070 1.00 2.03 N ATOM 1022 CA GLU A 74 -2.642 -9.789 -1.445 1.00 54.34 C ATOM 1023 C GLU A 74 -1.426 -9.546 -2.336 1.00 11.45 C ATOM 1024 O GLU A 74 -1.501 -9.675 -3.557 1.00 20.41 O ATOM 1025 CB GLU A 74 -2.789 -11.285 -1.160 1.00 51.24 C ATOM 1026 CG GLU A 74 -2.565 -12.162 -2.382 1.00 4.34 C ATOM 1027 CD GLU A 74 -2.703 -13.640 -2.071 1.00 12.11 C ATOM 1028 OE1 GLU A 74 -3.801 -14.057 -1.649 1.00 43.43 O ATOM 1029 OE2 GLU A 74 -1.712 -14.379 -2.250 1.00 53.03 O ATOM 0 H GLU A 74 -4.545 -9.983 -2.306 1.00 2.03 H new ATOM 0 HA GLU A 74 -2.493 -9.260 -0.503 1.00 54.34 H new ATOM 0 HB2 GLU A 74 -2.079 -11.570 -0.383 1.00 51.24 H new ATOM 0 HB3 GLU A 74 -3.787 -11.475 -0.765 1.00 51.24 H new ATOM 0 HG2 GLU A 74 -3.281 -11.889 -3.157 1.00 4.34 H new ATOM 0 HG3 GLU A 74 -1.571 -11.970 -2.785 1.00 4.34 H new ATOM 1034 N GLY A 75 -0.306 -9.193 -1.713 1.00 2.55 N ATOM 1035 CA GLY A 75 0.911 -8.936 -2.462 1.00 64.13 C ATOM 1036 C GLY A 75 1.899 -8.085 -1.691 1.00 4.44 C ATOM 1037 O GLY A 75 2.097 -8.287 -0.491 1.00 12.03 O ATOM 0 H GLY A 75 -0.219 -9.080 -0.703 1.00 2.55 H new ATOM 0 HA2 GLY A 75 1.380 -9.885 -2.723 1.00 64.13 H new ATOM 0 HA3 GLY A 75 0.659 -8.437 -3.398 1.00 64.13 H new ATOM 1041 N ILE A 76 2.523 -7.136 -2.377 1.00 51.35 N ATOM 1042 CA ILE A 76 3.497 -6.252 -1.748 1.00 53.04 C ATOM 1043 C ILE A 76 3.206 -4.792 -2.075 1.00 14.21 C ATOM 1044 O ILE A 76 2.939 -4.443 -3.225 1.00 42.15 O ATOM 1045 CB ILE A 76 4.932 -6.590 -2.191 1.00 51.12 C ATOM 1046 CG1 ILE A 76 5.352 -7.953 -1.640 1.00 4.41 C ATOM 1047 CG2 ILE A 76 5.897 -5.507 -1.732 1.00 33.24 C ATOM 1048 CD1 ILE A 76 4.792 -9.121 -2.423 1.00 72.11 C ATOM 0 H ILE A 76 2.372 -6.958 -3.370 1.00 51.35 H new ATOM 0 HA ILE A 76 3.413 -6.404 -0.672 1.00 53.04 H new ATOM 0 HB ILE A 76 4.959 -6.636 -3.280 1.00 51.12 H new ATOM 0 HG12 ILE A 76 6.440 -8.015 -1.639 1.00 4.41 H new ATOM 0 HG13 ILE A 76 5.027 -8.032 -0.603 1.00 4.41 H new ATOM 0 HG21 ILE A 76 6.907 -5.760 -2.053 1.00 33.24 H new ATOM 0 HG22 ILE A 76 5.606 -4.552 -2.169 1.00 33.24 H new ATOM 0 HG23 ILE A 76 5.869 -5.432 -0.645 1.00 33.24 H new ATOM 0 HD11 ILE A 76 5.131 -10.055 -1.975 1.00 72.11 H new ATOM 0 HD12 ILE A 76 3.703 -9.084 -2.403 1.00 72.11 H new ATOM 0 HD13 ILE A 76 5.138 -9.067 -3.455 1.00 72.11 H new ATOM 1059 N PHE A 77 3.262 -3.940 -1.057 1.00 23.23 N ATOM 1060 CA PHE A 77 3.005 -2.516 -1.235 1.00 50.33 C ATOM 1061 C PHE A 77 4.308 -1.723 -1.228 1.00 51.44 C ATOM 1062 O PHE A 77 5.163 -1.920 -0.363 1.00 63.42 O ATOM 1063 CB PHE A 77 2.076 -2.002 -0.132 1.00 71.41 C ATOM 1064 CG PHE A 77 0.635 -2.363 -0.346 1.00 24.04 C ATOM 1065 CD1 PHE A 77 0.260 -3.683 -0.539 1.00 4.24 C ATOM 1066 CD2 PHE A 77 -0.346 -1.384 -0.353 1.00 42.32 C ATOM 1067 CE1 PHE A 77 -1.066 -4.021 -0.734 1.00 61.11 C ATOM 1068 CE2 PHE A 77 -1.674 -1.716 -0.548 1.00 51.14 C ATOM 1069 CZ PHE A 77 -2.034 -3.036 -0.741 1.00 34.14 C ATOM 0 H PHE A 77 3.483 -4.211 -0.099 1.00 23.23 H new ATOM 0 HA PHE A 77 2.521 -2.378 -2.202 1.00 50.33 H new ATOM 0 HB2 PHE A 77 2.405 -2.405 0.826 1.00 71.41 H new ATOM 0 HB3 PHE A 77 2.165 -0.917 -0.069 1.00 71.41 H new ATOM 0 HD1 PHE A 77 1.013 -4.457 -0.537 1.00 4.24 H new ATOM 0 HD2 PHE A 77 -0.070 -0.350 -0.205 1.00 42.32 H new ATOM 0 HE1 PHE A 77 -1.345 -5.054 -0.881 1.00 61.11 H new ATOM 0 HE2 PHE A 77 -2.429 -0.944 -0.549 1.00 51.14 H new ATOM 0 HZ PHE A 77 -3.070 -3.297 -0.897 1.00 34.14 H new ATOM 1078 N ARG A 78 4.455 -0.828 -2.199 1.00 3.21 N ATOM 1079 CA ARG A 78 5.655 -0.007 -2.307 1.00 42.02 C ATOM 1080 C ARG A 78 5.294 1.474 -2.392 1.00 65.01 C ATOM 1081 O ARG A 78 4.496 1.882 -3.237 1.00 34.12 O ATOM 1082 CB ARG A 78 6.469 -0.416 -3.536 1.00 10.01 C ATOM 1083 CG ARG A 78 7.944 -0.637 -3.241 1.00 32.32 C ATOM 1084 CD ARG A 78 8.698 0.682 -3.156 1.00 70.41 C ATOM 1085 NE ARG A 78 8.736 1.375 -4.441 1.00 10.41 N ATOM 1086 CZ ARG A 78 9.312 2.558 -4.620 1.00 55.43 C ATOM 1087 NH1 ARG A 78 9.895 3.176 -3.603 1.00 14.24 N ATOM 1088 NH2 ARG A 78 9.307 3.125 -5.820 1.00 62.11 N ATOM 0 H ARG A 78 3.758 -0.653 -2.923 1.00 3.21 H new ATOM 0 HA ARG A 78 6.256 -0.166 -1.412 1.00 42.02 H new ATOM 0 HB2 ARG A 78 6.049 -1.332 -3.952 1.00 10.01 H new ATOM 0 HB3 ARG A 78 6.371 0.355 -4.300 1.00 10.01 H new ATOM 0 HG2 ARG A 78 8.051 -1.180 -2.302 1.00 32.32 H new ATOM 0 HG3 ARG A 78 8.383 -1.259 -4.021 1.00 32.32 H new ATOM 0 HD2 ARG A 78 8.224 1.323 -2.412 1.00 70.41 H new ATOM 0 HD3 ARG A 78 9.716 0.496 -2.814 1.00 70.41 H new ATOM 0 HE ARG A 78 8.296 0.926 -5.244 1.00 10.41 H new ATOM 0 HH11 ARG A 78 9.902 2.743 -2.679 1.00 14.24 H new ATOM 0 HH12 ARG A 78 10.337 4.085 -3.744 1.00 14.24 H new ATOM 0 HH21 ARG A 78 8.860 2.652 -6.606 1.00 62.11 H new ATOM 0 HH22 ARG A 78 9.750 4.034 -5.957 1.00 62.11 H new ATOM 1099 N CYS A 79 5.887 2.273 -1.513 1.00 23.24 N ATOM 1100 CA CYS A 79 5.628 3.708 -1.487 1.00 51.54 C ATOM 1101 C CYS A 79 6.882 4.493 -1.864 1.00 71.12 C ATOM 1102 O CYS A 79 8.002 4.046 -1.621 1.00 32.55 O ATOM 1103 CB CYS A 79 5.144 4.135 -0.101 1.00 33.11 C ATOM 1104 SG CYS A 79 3.901 5.467 -0.125 1.00 61.51 S ATOM 0 H CYS A 79 6.551 1.952 -0.808 1.00 23.24 H new ATOM 0 HA CYS A 79 4.850 3.925 -2.219 1.00 51.54 H new ATOM 0 HB2 CYS A 79 4.722 3.268 0.408 1.00 33.11 H new ATOM 0 HB3 CYS A 79 6.002 4.463 0.486 1.00 33.11 H new ATOM 1108 N GLN A 80 6.682 5.665 -2.459 1.00 52.12 N ATOM 1109 CA GLN A 80 7.796 6.511 -2.870 1.00 61.33 C ATOM 1110 C GLN A 80 7.498 7.979 -2.584 1.00 62.10 C ATOM 1111 O GLN A 80 6.458 8.501 -2.985 1.00 54.54 O ATOM 1112 CB GLN A 80 8.087 6.319 -4.359 1.00 51.42 C ATOM 1113 CG GLN A 80 9.470 6.799 -4.775 1.00 64.22 C ATOM 1114 CD GLN A 80 9.627 6.889 -6.280 1.00 1.10 C ATOM 1115 OE1 GLN A 80 10.307 6.066 -6.896 1.00 23.21 O ATOM 1116 NE2 GLN A 80 8.998 7.892 -6.882 1.00 50.43 N ATOM 0 H GLN A 80 5.760 6.050 -2.667 1.00 52.12 H new ATOM 0 HA GLN A 80 8.674 6.218 -2.294 1.00 61.33 H new ATOM 0 HB2 GLN A 80 7.988 5.262 -4.607 1.00 51.42 H new ATOM 0 HB3 GLN A 80 7.336 6.854 -4.940 1.00 51.42 H new ATOM 0 HG2 GLN A 80 9.659 7.778 -4.334 1.00 64.22 H new ATOM 0 HG3 GLN A 80 10.222 6.119 -4.375 1.00 64.22 H new ATOM 0 HE21 GLN A 80 8.446 8.551 -6.333 1.00 50.43 H new ATOM 0 HE22 GLN A 80 9.067 8.004 -7.893 1.00 50.43 H new ATOM 1123 N ALA A 81 8.417 8.640 -1.888 1.00 1.05 N ATOM 1124 CA ALA A 81 8.254 10.048 -1.549 1.00 71.45 C ATOM 1125 C ALA A 81 9.511 10.843 -1.884 1.00 40.24 C ATOM 1126 O ALA A 81 10.580 10.271 -2.095 1.00 40.43 O ATOM 1127 CB ALA A 81 7.908 10.199 -0.076 1.00 32.03 C ATOM 0 H ALA A 81 9.283 8.222 -1.548 1.00 1.05 H new ATOM 0 HA ALA A 81 7.434 10.447 -2.146 1.00 71.45 H new ATOM 0 HB1 ALA A 81 7.789 11.256 0.163 1.00 32.03 H new ATOM 0 HB2 ALA A 81 6.977 9.672 0.135 1.00 32.03 H new ATOM 0 HB3 ALA A 81 8.709 9.777 0.531 1.00 32.03 H new ATOM 1133 N MET A 82 9.375 12.165 -1.931 1.00 14.44 N ATOM 1134 CA MET A 82 10.503 13.037 -2.239 1.00 52.04 C ATOM 1135 C MET A 82 10.628 14.150 -1.204 1.00 75.34 C ATOM 1136 O MET A 82 9.675 14.885 -0.951 1.00 5.32 O ATOM 1137 CB MET A 82 10.340 13.640 -3.636 1.00 70.02 C ATOM 1138 CG MET A 82 11.349 14.733 -3.947 1.00 74.02 C ATOM 1139 SD MET A 82 11.737 14.843 -5.705 1.00 20.02 S ATOM 1140 CE MET A 82 12.641 13.317 -5.948 1.00 43.11 C ATOM 0 H MET A 82 8.497 12.655 -1.760 1.00 14.44 H new ATOM 0 HA MET A 82 11.413 12.437 -2.213 1.00 52.04 H new ATOM 0 HB2 MET A 82 10.435 12.847 -4.378 1.00 70.02 H new ATOM 0 HB3 MET A 82 9.334 14.048 -3.732 1.00 70.02 H new ATOM 0 HG2 MET A 82 10.958 15.691 -3.605 1.00 74.02 H new ATOM 0 HG3 MET A 82 12.266 14.545 -3.388 1.00 74.02 H new ATOM 0 HE1 MET A 82 13.296 13.416 -6.813 1.00 43.11 H new ATOM 0 HE2 MET A 82 13.239 13.104 -5.062 1.00 43.11 H new ATOM 0 HE3 MET A 82 11.938 12.501 -6.117 1.00 43.11 H new ATOM 1148 N ASN A 83 11.810 14.268 -0.608 1.00 41.43 N ATOM 1149 CA ASN A 83 12.059 15.291 0.401 1.00 45.12 C ATOM 1150 C ASN A 83 12.491 16.602 -0.249 1.00 70.34 C ATOM 1151 O ASN A 83 12.740 16.657 -1.453 1.00 53.34 O ATOM 1152 CB ASN A 83 13.133 14.817 1.383 1.00 32.44 C ATOM 1153 CG ASN A 83 12.547 14.057 2.557 1.00 63.34 C ATOM 1154 OD1 ASN A 83 12.515 14.557 3.681 1.00 22.31 O ATOM 1155 ND2 ASN A 83 12.080 12.840 2.300 1.00 72.23 N ATOM 0 H ASN A 83 12.610 13.668 -0.806 1.00 41.43 H new ATOM 0 HA ASN A 83 11.130 15.464 0.944 1.00 45.12 H new ATOM 0 HB2 ASN A 83 13.844 14.179 0.859 1.00 32.44 H new ATOM 0 HB3 ASN A 83 13.689 15.678 1.752 1.00 32.44 H new ATOM 0 HD21 ASN A 83 11.674 12.280 3.050 1.00 72.23 H new ATOM 0 HD22 ASN A 83 12.127 12.465 1.352 1.00 72.23 H new ATOM 1161 N ARG A 84 12.578 17.655 0.558 1.00 44.04 N ATOM 1162 CA ARG A 84 12.979 18.966 0.062 1.00 42.15 C ATOM 1163 C ARG A 84 14.465 18.983 -0.287 1.00 33.03 C ATOM 1164 O ARG A 84 14.933 19.864 -1.008 1.00 23.51 O ATOM 1165 CB ARG A 84 12.676 20.044 1.103 1.00 71.21 C ATOM 1166 CG ARG A 84 13.549 19.954 2.344 1.00 71.43 C ATOM 1167 CD ARG A 84 13.011 20.828 3.467 1.00 5.53 C ATOM 1168 NE ARG A 84 12.694 22.177 3.007 1.00 33.32 N ATOM 1169 CZ ARG A 84 13.608 23.123 2.822 1.00 63.40 C ATOM 1170 NH1 ARG A 84 14.888 22.869 3.056 1.00 43.01 N ATOM 1171 NH2 ARG A 84 13.242 24.328 2.402 1.00 2.12 N ATOM 0 H ARG A 84 12.376 17.626 1.557 1.00 44.04 H new ATOM 0 HA ARG A 84 12.408 19.175 -0.843 1.00 42.15 H new ATOM 0 HB2 ARG A 84 12.808 21.025 0.647 1.00 71.21 H new ATOM 0 HB3 ARG A 84 11.630 19.968 1.399 1.00 71.21 H new ATOM 0 HG2 ARG A 84 13.600 18.918 2.680 1.00 71.43 H new ATOM 0 HG3 ARG A 84 14.566 20.260 2.098 1.00 71.43 H new ATOM 0 HD2 ARG A 84 12.116 20.369 3.887 1.00 5.53 H new ATOM 0 HD3 ARG A 84 13.748 20.882 4.269 1.00 5.53 H new ATOM 0 HE ARG A 84 11.718 22.405 2.817 1.00 33.32 H new ATOM 0 HH11 ARG A 84 15.174 21.945 3.379 1.00 43.01 H new ATOM 0 HH12 ARG A 84 15.587 23.598 2.913 1.00 43.01 H new ATOM 0 HH21 ARG A 84 12.258 24.528 2.221 1.00 2.12 H new ATOM 0 HH22 ARG A 84 13.944 25.054 2.260 1.00 2.12 H new ATOM 1182 N ASN A 85 15.201 18.006 0.232 1.00 21.21 N ATOM 1183 CA ASN A 85 16.634 17.910 -0.023 1.00 62.13 C ATOM 1184 C ASN A 85 16.902 17.463 -1.457 1.00 13.02 C ATOM 1185 O ASN A 85 17.995 17.665 -1.987 1.00 60.15 O ATOM 1186 CB ASN A 85 17.283 16.933 0.958 1.00 53.11 C ATOM 1187 CG ASN A 85 17.047 17.323 2.404 1.00 14.41 C ATOM 1188 OD1 ASN A 85 15.982 16.795 2.993 1.00 15.23 O flip ATOM 1189 ND2 ASN A 85 17.816 18.091 2.984 1.00 13.03 N flip ATOM 0 H ASN A 85 14.829 17.269 0.832 1.00 21.21 H new ATOM 0 HA ASN A 85 17.070 18.899 0.118 1.00 62.13 H new ATOM 0 HB2 ASN A 85 16.887 15.932 0.785 1.00 53.11 H new ATOM 0 HB3 ASN A 85 18.355 16.889 0.767 1.00 53.11 H new ATOM 0 HD21 ASN A 85 18.623 18.473 2.491 1.00 13.03 H new ATOM 0 HD22 ASN A 85 17.646 18.345 3.957 1.00 13.03 H new ATOM 1195 N GLY A 86 15.898 16.855 -2.080 1.00 24.20 N ATOM 1196 CA GLY A 86 16.045 16.388 -3.447 1.00 23.22 C ATOM 1197 C GLY A 86 16.063 14.876 -3.544 1.00 14.12 C ATOM 1198 O GLY A 86 15.795 14.312 -4.606 1.00 11.30 O ATOM 0 H GLY A 86 14.984 16.677 -1.663 1.00 24.20 H new ATOM 0 HA2 GLY A 86 15.226 16.778 -4.051 1.00 23.22 H new ATOM 0 HA3 GLY A 86 16.968 16.787 -3.867 1.00 23.22 H new ATOM 1202 N LYS A 87 16.378 14.215 -2.434 1.00 74.24 N ATOM 1203 CA LYS A 87 16.431 12.758 -2.399 1.00 75.31 C ATOM 1204 C LYS A 87 15.046 12.172 -2.149 1.00 11.11 C ATOM 1205 O LYS A 87 14.221 12.772 -1.462 1.00 75.02 O ATOM 1206 CB LYS A 87 17.399 12.290 -1.311 1.00 2.03 C ATOM 1207 CG LYS A 87 17.041 12.787 0.078 1.00 21.44 C ATOM 1208 CD LYS A 87 18.282 13.055 0.913 1.00 41.10 C ATOM 1209 CE LYS A 87 19.118 14.183 0.326 1.00 63.32 C ATOM 1210 NZ LYS A 87 20.550 13.801 0.195 1.00 70.04 N ATOM 0 H LYS A 87 16.600 14.666 -1.547 1.00 74.24 H new ATOM 0 HA LYS A 87 16.786 12.407 -3.368 1.00 75.31 H new ATOM 0 HB2 LYS A 87 17.423 11.200 -1.303 1.00 2.03 H new ATOM 0 HB3 LYS A 87 18.404 12.629 -1.561 1.00 2.03 H new ATOM 0 HG2 LYS A 87 16.452 13.700 -0.002 1.00 21.44 H new ATOM 0 HG3 LYS A 87 16.417 12.048 0.580 1.00 21.44 H new ATOM 0 HD2 LYS A 87 17.988 13.311 1.931 1.00 41.10 H new ATOM 0 HD3 LYS A 87 18.884 12.148 0.973 1.00 41.10 H new ATOM 0 HE2 LYS A 87 18.724 14.456 -0.653 1.00 63.32 H new ATOM 0 HE3 LYS A 87 19.034 15.065 0.960 1.00 63.32 H new ATOM 0 HZ1 LYS A 87 21.086 14.596 -0.208 1.00 70.04 H new ATOM 0 HZ2 LYS A 87 20.934 13.565 1.132 1.00 70.04 H new ATOM 0 HZ3 LYS A 87 20.633 12.975 -0.431 1.00 70.04 H new ATOM 1220 N GLU A 88 14.799 10.992 -2.712 1.00 25.04 N ATOM 1221 CA GLU A 88 13.514 10.323 -2.548 1.00 30.54 C ATOM 1222 C GLU A 88 13.618 9.181 -1.542 1.00 32.03 C ATOM 1223 O GLU A 88 14.644 8.505 -1.457 1.00 42.24 O ATOM 1224 CB GLU A 88 13.016 9.790 -3.893 1.00 50.43 C ATOM 1225 CG GLU A 88 13.569 8.419 -4.246 1.00 41.42 C ATOM 1226 CD GLU A 88 15.084 8.396 -4.292 1.00 52.10 C ATOM 1227 OE1 GLU A 88 15.673 9.295 -4.927 1.00 52.02 O ATOM 1228 OE2 GLU A 88 15.683 7.477 -3.692 1.00 64.24 O ATOM 0 H GLU A 88 15.471 10.481 -3.284 1.00 25.04 H new ATOM 0 HA GLU A 88 12.800 11.053 -2.168 1.00 30.54 H new ATOM 0 HB2 GLU A 88 11.927 9.740 -3.874 1.00 50.43 H new ATOM 0 HB3 GLU A 88 13.289 10.496 -4.678 1.00 50.43 H new ATOM 0 HG2 GLU A 88 13.220 7.691 -3.514 1.00 41.42 H new ATOM 0 HG3 GLU A 88 13.175 8.111 -5.214 1.00 41.42 H new ATOM 1233 N THR A 89 12.549 8.971 -0.780 1.00 73.24 N ATOM 1234 CA THR A 89 12.519 7.912 0.221 1.00 53.52 C ATOM 1235 C THR A 89 11.744 6.701 -0.283 1.00 4.41 C ATOM 1236 O THR A 89 10.641 6.833 -0.814 1.00 42.32 O ATOM 1237 CB THR A 89 11.888 8.401 1.538 1.00 74.34 C ATOM 1238 OG1 THR A 89 12.036 9.821 1.654 1.00 4.32 O ATOM 1239 CG2 THR A 89 12.532 7.719 2.733 1.00 13.55 C ATOM 0 H THR A 89 11.692 9.521 -0.837 1.00 73.24 H new ATOM 0 HA THR A 89 13.554 7.625 0.408 1.00 53.52 H new ATOM 0 HB THR A 89 10.828 8.147 1.524 1.00 74.34 H new ATOM 0 HG1 THR A 89 11.549 10.137 2.444 1.00 4.32 H new ATOM 0 HG21 THR A 89 12.070 8.081 3.651 1.00 13.55 H new ATOM 0 HG22 THR A 89 12.391 6.641 2.656 1.00 13.55 H new ATOM 0 HG23 THR A 89 13.598 7.945 2.750 1.00 13.55 H new ATOM 1247 N LYS A 90 12.326 5.518 -0.112 1.00 35.44 N ATOM 1248 CA LYS A 90 11.688 4.281 -0.546 1.00 54.14 C ATOM 1249 C LYS A 90 10.996 3.586 0.621 1.00 63.00 C ATOM 1250 O LYS A 90 11.458 3.655 1.760 1.00 62.23 O ATOM 1251 CB LYS A 90 12.723 3.342 -1.171 1.00 54.01 C ATOM 1252 CG LYS A 90 13.694 4.043 -2.105 1.00 12.43 C ATOM 1253 CD LYS A 90 13.085 4.269 -3.478 1.00 55.02 C ATOM 1254 CE LYS A 90 12.911 2.961 -4.233 1.00 12.10 C ATOM 1255 NZ LYS A 90 12.355 3.177 -5.597 1.00 61.44 N ATOM 0 H LYS A 90 13.239 5.390 0.324 1.00 35.44 H new ATOM 0 HA LYS A 90 10.935 4.533 -1.293 1.00 54.14 H new ATOM 0 HB2 LYS A 90 13.286 2.854 -0.375 1.00 54.01 H new ATOM 0 HB3 LYS A 90 12.204 2.558 -1.722 1.00 54.01 H new ATOM 0 HG2 LYS A 90 13.987 5.000 -1.674 1.00 12.43 H new ATOM 0 HG3 LYS A 90 14.601 3.446 -2.202 1.00 12.43 H new ATOM 0 HD2 LYS A 90 12.118 4.760 -3.372 1.00 55.02 H new ATOM 0 HD3 LYS A 90 13.722 4.941 -4.054 1.00 55.02 H new ATOM 0 HE2 LYS A 90 13.873 2.455 -4.309 1.00 12.10 H new ATOM 0 HE3 LYS A 90 12.248 2.303 -3.671 1.00 12.10 H new ATOM 0 HZ1 LYS A 90 11.822 2.334 -5.892 1.00 61.44 H new ATOM 0 HZ2 LYS A 90 11.722 4.002 -5.587 1.00 61.44 H new ATOM 0 HZ3 LYS A 90 13.133 3.346 -6.266 1.00 61.44 H new ATOM 1265 N SER A 91 9.885 2.916 0.330 1.00 42.21 N ATOM 1266 CA SER A 91 9.128 2.211 1.357 1.00 64.32 C ATOM 1267 C SER A 91 8.543 0.913 0.805 1.00 2.23 C ATOM 1268 O SER A 91 7.857 0.912 -0.216 1.00 35.34 O ATOM 1269 CB SER A 91 8.004 3.100 1.895 1.00 53.53 C ATOM 1270 OG SER A 91 8.354 3.661 3.148 1.00 65.34 O ATOM 0 H SER A 91 9.490 2.847 -0.608 1.00 42.21 H new ATOM 0 HA SER A 91 9.810 1.967 2.172 1.00 64.32 H new ATOM 0 HB2 SER A 91 7.794 3.897 1.182 1.00 53.53 H new ATOM 0 HB3 SER A 91 7.090 2.515 1.997 1.00 53.53 H new ATOM 0 HG SER A 91 8.660 4.583 3.020 1.00 65.34 H new ATOM 1275 N ASN A 92 8.821 -0.191 1.492 1.00 23.40 N ATOM 1276 CA ASN A 92 8.324 -1.497 1.071 1.00 62.42 C ATOM 1277 C ASN A 92 7.636 -2.215 2.228 1.00 41.51 C ATOM 1278 O ASN A 92 8.248 -2.469 3.266 1.00 5.33 O ATOM 1279 CB ASN A 92 9.473 -2.354 0.535 1.00 62.43 C ATOM 1280 CG ASN A 92 9.165 -3.837 0.598 1.00 1.43 C ATOM 1281 OD1 ASN A 92 9.832 -4.591 1.309 1.00 24.21 O ATOM 1282 ND2 ASN A 92 8.153 -4.264 -0.146 1.00 21.24 N ATOM 0 H ASN A 92 9.386 -0.208 2.341 1.00 23.40 H new ATOM 0 HA ASN A 92 7.594 -1.342 0.277 1.00 62.42 H new ATOM 0 HB2 ASN A 92 9.682 -2.072 -0.497 1.00 62.43 H new ATOM 0 HB3 ASN A 92 10.375 -2.148 1.111 1.00 62.43 H new ATOM 0 HD21 ASN A 92 7.900 -5.252 -0.144 1.00 21.24 H new ATOM 0 HD22 ASN A 92 7.628 -3.604 -0.720 1.00 21.24 H new ATOM 1288 N TYR A 93 6.362 -2.541 2.041 1.00 0.11 N ATOM 1289 CA TYR A 93 5.590 -3.228 3.068 1.00 24.14 C ATOM 1290 C TYR A 93 4.903 -4.466 2.499 1.00 14.54 C ATOM 1291 O TYR A 93 4.201 -4.391 1.491 1.00 53.40 O ATOM 1292 CB TYR A 93 4.546 -2.285 3.669 1.00 31.02 C ATOM 1293 CG TYR A 93 5.122 -1.291 4.651 1.00 1.14 C ATOM 1294 CD1 TYR A 93 6.049 -0.338 4.244 1.00 22.23 C ATOM 1295 CD2 TYR A 93 4.740 -1.304 5.988 1.00 72.23 C ATOM 1296 CE1 TYR A 93 6.577 0.572 5.140 1.00 13.51 C ATOM 1297 CE2 TYR A 93 5.264 -0.398 6.890 1.00 4.34 C ATOM 1298 CZ TYR A 93 6.183 0.538 6.461 1.00 43.21 C ATOM 1299 OH TYR A 93 6.707 1.442 7.355 1.00 22.33 O ATOM 0 H TYR A 93 5.842 -2.340 1.187 1.00 0.11 H new ATOM 0 HA TYR A 93 6.279 -3.544 3.851 1.00 24.14 H new ATOM 0 HB2 TYR A 93 4.052 -1.742 2.863 1.00 31.02 H new ATOM 0 HB3 TYR A 93 3.780 -2.877 4.171 1.00 31.02 H new ATOM 0 HD1 TYR A 93 6.362 -0.308 3.211 1.00 22.23 H new ATOM 0 HD2 TYR A 93 4.021 -2.035 6.327 1.00 72.23 H new ATOM 0 HE1 TYR A 93 7.295 1.307 4.807 1.00 13.51 H new ATOM 0 HE2 TYR A 93 4.956 -0.422 7.925 1.00 4.34 H new ATOM 0 HH TYR A 93 7.407 1.008 7.886 1.00 22.33 H new ATOM 1308 N ARG A 94 5.115 -5.605 3.151 1.00 64.20 N ATOM 1309 CA ARG A 94 4.518 -6.860 2.712 1.00 54.25 C ATOM 1310 C ARG A 94 3.095 -7.001 3.242 1.00 64.14 C ATOM 1311 O ARG A 94 2.826 -6.727 4.411 1.00 2.44 O ATOM 1312 CB ARG A 94 5.368 -8.044 3.176 1.00 72.33 C ATOM 1313 CG ARG A 94 6.862 -7.767 3.157 1.00 32.34 C ATOM 1314 CD ARG A 94 7.358 -7.480 1.749 1.00 64.30 C ATOM 1315 NE ARG A 94 8.758 -7.063 1.736 1.00 43.53 N ATOM 1316 CZ ARG A 94 9.770 -7.882 1.998 1.00 50.23 C ATOM 1317 NH1 ARG A 94 9.540 -9.154 2.291 1.00 14.31 N ATOM 1318 NH2 ARG A 94 11.017 -7.430 1.965 1.00 32.53 N ATOM 0 H ARG A 94 5.696 -5.684 3.986 1.00 64.20 H new ATOM 0 HA ARG A 94 4.481 -6.854 1.623 1.00 54.25 H new ATOM 0 HB2 ARG A 94 5.071 -8.319 4.188 1.00 72.33 H new ATOM 0 HB3 ARG A 94 5.158 -8.903 2.538 1.00 72.33 H new ATOM 0 HG2 ARG A 94 7.084 -6.917 3.802 1.00 32.34 H new ATOM 0 HG3 ARG A 94 7.397 -8.625 3.565 1.00 32.34 H new ATOM 0 HD2 ARG A 94 7.240 -8.372 1.134 1.00 64.30 H new ATOM 0 HD3 ARG A 94 6.743 -6.700 1.300 1.00 64.30 H new ATOM 0 HE ARG A 94 8.970 -6.090 1.514 1.00 43.53 H new ATOM 0 HH11 ARG A 94 8.583 -9.507 2.316 1.00 14.31 H new ATOM 0 HH12 ARG A 94 10.320 -9.780 2.492 1.00 14.31 H new ATOM 0 HH21 ARG A 94 11.199 -6.452 1.738 1.00 32.53 H new ATOM 0 HH22 ARG A 94 11.793 -8.060 2.166 1.00 32.53 H new ATOM 1329 N VAL A 95 2.184 -7.430 2.373 1.00 12.21 N ATOM 1330 CA VAL A 95 0.788 -7.609 2.753 1.00 35.13 C ATOM 1331 C VAL A 95 0.346 -9.054 2.557 1.00 62.12 C ATOM 1332 O VAL A 95 0.608 -9.659 1.516 1.00 30.35 O ATOM 1333 CB VAL A 95 -0.138 -6.685 1.942 1.00 33.12 C ATOM 1334 CG1 VAL A 95 -1.597 -7.008 2.225 1.00 60.25 C ATOM 1335 CG2 VAL A 95 0.163 -5.225 2.250 1.00 71.12 C ATOM 0 H VAL A 95 2.389 -7.660 1.401 1.00 12.21 H new ATOM 0 HA VAL A 95 0.712 -7.349 3.809 1.00 35.13 H new ATOM 0 HB VAL A 95 0.047 -6.855 0.881 1.00 33.12 H new ATOM 0 HG11 VAL A 95 -2.236 -6.344 1.643 1.00 60.25 H new ATOM 0 HG12 VAL A 95 -1.801 -8.043 1.949 1.00 60.25 H new ATOM 0 HG13 VAL A 95 -1.801 -6.869 3.287 1.00 60.25 H new ATOM 0 HG21 VAL A 95 -0.501 -4.586 1.668 1.00 71.12 H new ATOM 0 HG22 VAL A 95 0.007 -5.038 3.312 1.00 71.12 H new ATOM 0 HG23 VAL A 95 1.198 -5.004 1.991 1.00 71.12 H new ATOM 1345 N ARG A 96 -0.330 -9.603 3.562 1.00 14.35 N ATOM 1346 CA ARG A 96 -0.809 -10.979 3.499 1.00 33.33 C ATOM 1347 C ARG A 96 -2.274 -11.062 3.914 1.00 64.14 C ATOM 1348 O ARG A 96 -2.712 -10.367 4.831 1.00 12.42 O ATOM 1349 CB ARG A 96 0.040 -11.878 4.401 1.00 12.24 C ATOM 1350 CG ARG A 96 0.924 -12.849 3.634 1.00 31.05 C ATOM 1351 CD ARG A 96 1.813 -12.122 2.636 1.00 62.34 C ATOM 1352 NE ARG A 96 3.129 -12.745 2.523 1.00 74.35 N ATOM 1353 CZ ARG A 96 4.082 -12.620 3.437 1.00 0.04 C ATOM 1354 NH1 ARG A 96 3.867 -11.901 4.530 1.00 62.31 N ATOM 1355 NH2 ARG A 96 5.255 -13.217 3.263 1.00 74.14 N ATOM 0 H ARG A 96 -0.558 -9.116 4.429 1.00 14.35 H new ATOM 0 HA ARG A 96 -0.721 -11.323 2.468 1.00 33.33 H new ATOM 0 HB2 ARG A 96 0.667 -11.253 5.036 1.00 12.24 H new ATOM 0 HB3 ARG A 96 -0.619 -12.443 5.061 1.00 12.24 H new ATOM 0 HG2 ARG A 96 1.543 -13.410 4.334 1.00 31.05 H new ATOM 0 HG3 ARG A 96 0.301 -13.573 3.109 1.00 31.05 H new ATOM 0 HD2 ARG A 96 1.330 -12.114 1.659 1.00 62.34 H new ATOM 0 HD3 ARG A 96 1.929 -11.083 2.943 1.00 62.34 H new ATOM 0 HE ARG A 96 3.326 -13.307 1.695 1.00 74.35 H new ATOM 0 HH11 ARG A 96 2.967 -11.442 4.670 1.00 62.31 H new ATOM 0 HH12 ARG A 96 4.602 -11.807 5.231 1.00 62.31 H new ATOM 0 HH21 ARG A 96 5.425 -13.773 2.425 1.00 74.14 H new ATOM 0 HH22 ARG A 96 5.986 -13.119 3.967 1.00 74.14 H new ATOM 1366 N VAL A 97 -3.029 -11.918 3.232 1.00 71.25 N ATOM 1367 CA VAL A 97 -4.445 -12.095 3.530 1.00 34.40 C ATOM 1368 C VAL A 97 -4.707 -13.453 4.169 1.00 20.41 C ATOM 1369 O VAL A 97 -3.779 -14.215 4.437 1.00 0.33 O ATOM 1370 CB VAL A 97 -5.305 -11.962 2.259 1.00 21.00 C ATOM 1371 CG1 VAL A 97 -4.990 -10.664 1.532 1.00 52.31 C ATOM 1372 CG2 VAL A 97 -5.092 -13.160 1.345 1.00 30.41 C ATOM 0 H VAL A 97 -2.683 -12.500 2.469 1.00 71.25 H new ATOM 0 HA VAL A 97 -4.722 -11.309 4.232 1.00 34.40 H new ATOM 0 HB VAL A 97 -6.354 -11.939 2.553 1.00 21.00 H new ATOM 0 HG11 VAL A 97 -5.608 -10.589 0.637 1.00 52.31 H new ATOM 0 HG12 VAL A 97 -5.198 -9.819 2.189 1.00 52.31 H new ATOM 0 HG13 VAL A 97 -3.938 -10.652 1.248 1.00 52.31 H new ATOM 0 HG21 VAL A 97 -5.707 -13.050 0.452 1.00 30.41 H new ATOM 0 HG22 VAL A 97 -4.042 -13.216 1.058 1.00 30.41 H new ATOM 0 HG23 VAL A 97 -5.374 -14.073 1.870 1.00 30.41 H new ATOM 1382 N TYR A 98 -5.979 -13.751 4.411 1.00 30.52 N ATOM 1383 CA TYR A 98 -6.366 -15.017 5.021 1.00 1.53 C ATOM 1384 C TYR A 98 -6.282 -16.156 4.010 1.00 65.11 C ATOM 1385 O TYR A 98 -5.380 -16.992 4.074 1.00 14.13 O ATOM 1386 CB TYR A 98 -7.785 -14.923 5.585 1.00 4.41 C ATOM 1387 CG TYR A 98 -8.025 -15.830 6.772 1.00 35.12 C ATOM 1388 CD1 TYR A 98 -7.308 -15.669 7.951 1.00 55.14 C ATOM 1389 CD2 TYR A 98 -8.970 -16.846 6.714 1.00 0.05 C ATOM 1390 CE1 TYR A 98 -7.523 -16.495 9.037 1.00 24.12 C ATOM 1391 CE2 TYR A 98 -9.194 -17.676 7.795 1.00 4.10 C ATOM 1392 CZ TYR A 98 -8.468 -17.497 8.955 1.00 31.02 C ATOM 1393 OH TYR A 98 -8.687 -18.321 10.034 1.00 33.54 O ATOM 0 H TYR A 98 -6.760 -13.132 4.194 1.00 30.52 H new ATOM 0 HA TYR A 98 -5.672 -15.226 5.835 1.00 1.53 H new ATOM 0 HB2 TYR A 98 -7.983 -13.892 5.880 1.00 4.41 H new ATOM 0 HB3 TYR A 98 -8.497 -15.172 4.798 1.00 4.41 H new ATOM 0 HD1 TYR A 98 -6.569 -14.884 8.020 1.00 55.14 H new ATOM 0 HD2 TYR A 98 -9.540 -16.990 5.808 1.00 0.05 H new ATOM 0 HE1 TYR A 98 -6.955 -16.357 9.945 1.00 24.12 H new ATOM 0 HE2 TYR A 98 -9.933 -18.461 7.733 1.00 4.10 H new ATOM 0 HH TYR A 98 -9.385 -18.972 9.812 1.00 33.54 H new ATOM 1402 N GLN A 99 -7.229 -16.182 3.079 1.00 2.51 N ATOM 1403 CA GLN A 99 -7.262 -17.219 2.053 1.00 62.20 C ATOM 1404 C GLN A 99 -5.977 -17.215 1.232 1.00 32.53 C ATOM 1405 O GLN A 99 -5.369 -16.165 1.020 1.00 43.11 O ATOM 1406 CB GLN A 99 -8.470 -17.019 1.136 1.00 11.50 C ATOM 1407 CG GLN A 99 -9.487 -18.148 1.214 1.00 10.01 C ATOM 1408 CD GLN A 99 -8.998 -19.421 0.555 1.00 12.31 C ATOM 1409 OE1 GLN A 99 -8.246 -20.223 1.299 1.00 53.23 O flip ATOM 1410 NE2 GLN A 99 -9.291 -19.682 -0.612 1.00 32.03 N flip ATOM 0 H GLN A 99 -7.983 -15.498 3.013 1.00 2.51 H new ATOM 0 HA GLN A 99 -7.349 -18.185 2.550 1.00 62.20 H new ATOM 0 HB2 GLN A 99 -8.961 -16.081 1.395 1.00 11.50 H new ATOM 0 HB3 GLN A 99 -8.123 -16.924 0.107 1.00 11.50 H new ATOM 0 HG2 GLN A 99 -9.719 -18.351 2.259 1.00 10.01 H new ATOM 0 HG3 GLN A 99 -10.414 -17.830 0.737 1.00 10.01 H new ATOM 0 HE21 GLN A 99 -9.872 -19.038 -1.148 1.00 32.03 H new ATOM 0 HE22 GLN A 99 -8.953 -20.543 -1.042 1.00 32.03 H new ATOM 1417 N ILE A 100 -5.570 -18.393 0.772 1.00 24.34 N ATOM 1418 CA ILE A 100 -4.359 -18.523 -0.028 1.00 1.52 C ATOM 1419 C ILE A 100 -4.663 -19.132 -1.391 1.00 40.23 C ATOM 1420 O ILE A 100 -5.689 -19.783 -1.594 1.00 2.20 O ATOM 1421 CB ILE A 100 -3.306 -19.392 0.686 1.00 51.12 C ATOM 1422 CG1 ILE A 100 -3.976 -20.302 1.717 1.00 31.00 C ATOM 1423 CG2 ILE A 100 -2.256 -18.512 1.350 1.00 21.11 C ATOM 1424 CD1 ILE A 100 -3.019 -21.264 2.387 1.00 31.12 C ATOM 0 H ILE A 100 -6.061 -19.271 0.940 1.00 24.34 H new ATOM 0 HA ILE A 100 -3.960 -17.518 -0.163 1.00 1.52 H new ATOM 0 HB ILE A 100 -2.811 -20.019 -0.055 1.00 51.12 H new ATOM 0 HG12 ILE A 100 -4.451 -19.685 2.480 1.00 31.00 H new ATOM 0 HG13 ILE A 100 -4.767 -20.871 1.228 1.00 31.00 H new ATOM 0 HG21 ILE A 100 -1.519 -19.140 1.850 1.00 21.11 H new ATOM 0 HG22 ILE A 100 -1.761 -17.903 0.594 1.00 21.11 H new ATOM 0 HG23 ILE A 100 -2.736 -17.862 2.082 1.00 21.11 H new ATOM 0 HD11 ILE A 100 -3.563 -21.877 3.105 1.00 31.12 H new ATOM 0 HD12 ILE A 100 -2.562 -21.906 1.634 1.00 31.12 H new ATOM 0 HD13 ILE A 100 -2.242 -20.702 2.905 1.00 31.12 H new ATOM 1435 N PRO A 101 -3.752 -18.919 -2.352 1.00 10.43 N ATOM 1436 CA PRO A 101 -3.899 -19.440 -3.714 1.00 15.15 C ATOM 1437 C PRO A 101 -3.750 -20.956 -3.773 1.00 44.45 C ATOM 1438 O PRO A 101 -4.558 -21.645 -4.397 1.00 13.42 O ATOM 1439 CB PRO A 101 -2.759 -18.760 -4.478 1.00 31.32 C ATOM 1440 CG PRO A 101 -1.737 -18.449 -3.439 1.00 62.02 C ATOM 1441 CD PRO A 101 -2.505 -18.153 -2.181 1.00 25.22 C ATOM 0 HA PRO A 101 -4.888 -19.235 -4.125 1.00 15.15 H new ATOM 0 HB2 PRO A 101 -2.353 -19.415 -5.249 1.00 31.32 H new ATOM 0 HB3 PRO A 101 -3.103 -17.855 -4.978 1.00 31.32 H new ATOM 0 HG2 PRO A 101 -1.059 -19.290 -3.294 1.00 62.02 H new ATOM 0 HG3 PRO A 101 -1.127 -17.595 -3.734 1.00 62.02 H new ATOM 0 HD2 PRO A 101 -1.958 -18.469 -1.293 1.00 25.22 H new ATOM 0 HD3 PRO A 101 -2.701 -17.086 -2.072 1.00 25.22 H new