USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 683 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 85 ASN : amide:sc= 0.885 K(o=1.9,f=-3.2) USER MOD Set 1.2: A 87 LYS NZ :NH3+ -128:sc= 1.03 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.236 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc= -0.52 X(o=-0.52,f=-0.92) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0417 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 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 : amide:sc= -0.133 K(o=-0.13,f=-0.97) USER MOD Single : A 35 THR OG1 : rot 140:sc= 1.23 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -150:sc= -0.151 (180deg=-0.946) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.26 X(o=-0.26,f=0) USER MOD Single : A 61 ASN : amide:sc= -2.41 K(o=-2.4,f=-12!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.0927 F(o=-0.75,f=-0.093) USER MOD Single : A 82 MET CE :methyl -149:sc= -0.192 (180deg=-1.02) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 101:sc=-0.00605 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 130:sc= -0.368 USER MOD Single : A 92 ASN :FLIP amide:sc= -1.28 F(o=-3.4!,f=-1.3) USER MOD Single : A 93 TYR OH : rot -159:sc= -1.83 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 3.796 -1.294 -0.902 1.00 74.04 N ATOM 9 CA SER A 2 4.675 -2.382 -0.490 1.00 2.33 C ATOM 10 C SER A 2 4.216 -3.708 -1.088 1.00 30.13 C ATOM 11 O SER A 2 3.353 -3.741 -1.965 1.00 3.42 O ATOM 12 CB SER A 2 4.716 -2.484 1.036 1.00 41.54 C ATOM 13 OG SER A 2 5.858 -3.201 1.469 1.00 1.12 O ATOM 0 HA SER A 2 5.677 -2.165 -0.859 1.00 2.33 H new ATOM 0 HB2 SER A 2 4.724 -1.484 1.470 1.00 41.54 H new ATOM 0 HB3 SER A 2 3.814 -2.980 1.395 1.00 41.54 H new ATOM 0 HG SER A 2 5.862 -3.250 2.448 1.00 1.12 H new ATOM 19 N ALA A 3 4.800 -4.800 -0.605 1.00 64.44 N ATOM 20 CA ALA A 3 4.450 -6.130 -1.090 1.00 35.20 C ATOM 21 C ALA A 3 2.981 -6.442 -0.824 1.00 60.43 C ATOM 22 O ALA A 3 2.623 -6.908 0.257 1.00 53.11 O ATOM 23 CB ALA A 3 5.340 -7.179 -0.441 1.00 1.22 C ATOM 0 H ALA A 3 5.517 -4.790 0.121 1.00 64.44 H new ATOM 0 HA ALA A 3 4.609 -6.151 -2.168 1.00 35.20 H new ATOM 0 HB1 ALA A 3 5.068 -8.167 -0.812 1.00 1.22 H new ATOM 0 HB2 ALA A 3 6.382 -6.974 -0.686 1.00 1.22 H new ATOM 0 HB3 ALA A 3 5.209 -7.149 0.641 1.00 1.22 H new ATOM 29 N GLN A 4 2.137 -6.182 -1.817 1.00 54.22 N ATOM 30 CA GLN A 4 0.706 -6.435 -1.688 1.00 23.05 C ATOM 31 C GLN A 4 0.350 -7.823 -2.209 1.00 51.31 C ATOM 32 O GLN A 4 0.751 -8.207 -3.307 1.00 34.31 O ATOM 33 CB GLN A 4 -0.091 -5.372 -2.446 1.00 73.01 C ATOM 34 CG GLN A 4 -1.428 -5.040 -1.803 1.00 0.24 C ATOM 35 CD GLN A 4 -2.403 -4.408 -2.776 1.00 33.42 C ATOM 36 OE1 GLN A 4 -2.217 -3.271 -3.210 1.00 64.21 O ATOM 37 NE2 GLN A 4 -3.452 -5.145 -3.125 1.00 35.34 N ATOM 0 H GLN A 4 2.418 -5.797 -2.719 1.00 54.22 H new ATOM 0 HA GLN A 4 0.447 -6.387 -0.630 1.00 23.05 H new ATOM 0 HB2 GLN A 4 0.506 -4.462 -2.514 1.00 73.01 H new ATOM 0 HB3 GLN A 4 -0.263 -5.717 -3.465 1.00 73.01 H new ATOM 0 HG2 GLN A 4 -1.867 -5.951 -1.395 1.00 0.24 H new ATOM 0 HG3 GLN A 4 -1.265 -4.362 -0.965 1.00 0.24 H new ATOM 0 HE21 GLN A 4 -3.567 -6.083 -2.741 1.00 35.34 H new ATOM 0 HE22 GLN A 4 -4.142 -4.773 -3.777 1.00 35.34 H new ATOM 46 N ASN A 5 -0.407 -8.572 -1.413 1.00 72.52 N ATOM 47 CA ASN A 5 -0.817 -9.919 -1.794 1.00 13.13 C ATOM 48 C ASN A 5 -2.139 -9.890 -2.553 1.00 72.23 C ATOM 49 O ASN A 5 -3.150 -9.406 -2.043 1.00 11.13 O ATOM 50 CB ASN A 5 -0.947 -10.805 -0.552 1.00 51.44 C ATOM 51 CG ASN A 5 -1.982 -10.282 0.425 1.00 44.23 C ATOM 52 OD1 ASN A 5 -1.698 -9.399 1.235 1.00 63.31 O ATOM 53 ND2 ASN A 5 -3.191 -10.825 0.354 1.00 63.25 N ATOM 0 H ASN A 5 -0.749 -8.269 -0.501 1.00 72.52 H new ATOM 0 HA ASN A 5 -0.051 -10.334 -2.450 1.00 13.13 H new ATOM 0 HB2 ASN A 5 -1.217 -11.816 -0.857 1.00 51.44 H new ATOM 0 HB3 ASN A 5 0.020 -10.870 -0.053 1.00 51.44 H new ATOM 0 HD21 ASN A 5 -3.928 -10.513 0.986 1.00 63.25 H new ATOM 0 HD22 ASN A 5 -3.383 -11.554 -0.333 1.00 63.25 H new ATOM 60 N ILE A 6 -2.125 -10.413 -3.774 1.00 50.24 N ATOM 61 CA ILE A 6 -3.324 -10.449 -4.604 1.00 21.25 C ATOM 62 C ILE A 6 -3.615 -11.866 -5.088 1.00 30.15 C ATOM 63 O ILE A 6 -2.781 -12.495 -5.740 1.00 21.42 O ATOM 64 CB ILE A 6 -3.192 -9.518 -5.823 1.00 54.14 C ATOM 65 CG1 ILE A 6 -3.083 -8.061 -5.370 1.00 24.21 C ATOM 66 CG2 ILE A 6 -4.380 -9.700 -6.758 1.00 1.14 C ATOM 67 CD1 ILE A 6 -1.678 -7.651 -4.989 1.00 22.14 C ATOM 0 H ILE A 6 -1.297 -10.818 -4.211 1.00 50.24 H new ATOM 0 HA ILE A 6 -4.150 -10.104 -3.982 1.00 21.25 H new ATOM 0 HB ILE A 6 -2.283 -9.779 -6.365 1.00 54.14 H new ATOM 0 HG12 ILE A 6 -3.438 -7.412 -6.171 1.00 24.21 H new ATOM 0 HG13 ILE A 6 -3.743 -7.904 -4.517 1.00 24.21 H new ATOM 0 HG21 ILE A 6 -4.273 -9.036 -7.615 1.00 1.14 H new ATOM 0 HG22 ILE A 6 -4.417 -10.734 -7.102 1.00 1.14 H new ATOM 0 HG23 ILE A 6 -5.301 -9.461 -6.226 1.00 1.14 H new ATOM 0 HD11 ILE A 6 -1.676 -6.606 -4.678 1.00 22.14 H new ATOM 0 HD12 ILE A 6 -1.327 -8.275 -4.167 1.00 22.14 H new ATOM 0 HD13 ILE A 6 -1.017 -7.776 -5.847 1.00 22.14 H new ATOM 79 N THR A 7 -4.805 -12.363 -4.767 1.00 12.20 N ATOM 80 CA THR A 7 -5.207 -13.704 -5.170 1.00 74.11 C ATOM 81 C THR A 7 -6.033 -13.670 -6.451 1.00 41.30 C ATOM 82 O THR A 7 -6.912 -12.824 -6.611 1.00 13.20 O ATOM 83 CB THR A 7 -6.023 -14.401 -4.065 1.00 74.24 C ATOM 84 OG1 THR A 7 -6.782 -13.433 -3.332 1.00 32.03 O ATOM 85 CG2 THR A 7 -5.111 -15.163 -3.116 1.00 33.15 C ATOM 0 H THR A 7 -5.508 -11.856 -4.229 1.00 12.20 H new ATOM 0 HA THR A 7 -4.291 -14.268 -5.347 1.00 74.11 H new ATOM 0 HB THR A 7 -6.701 -15.111 -4.539 1.00 74.24 H new ATOM 0 HG1 THR A 7 -7.299 -13.884 -2.633 1.00 32.03 H new ATOM 0 HG21 THR A 7 -5.711 -15.646 -2.345 1.00 33.15 H new ATOM 0 HG22 THR A 7 -4.557 -15.919 -3.672 1.00 33.15 H new ATOM 0 HG23 THR A 7 -4.410 -14.470 -2.650 1.00 33.15 H new ATOM 93 N ALA A 8 -5.745 -14.595 -7.360 1.00 2.33 N ATOM 94 CA ALA A 8 -6.462 -14.672 -8.627 1.00 13.14 C ATOM 95 C ALA A 8 -6.571 -16.113 -9.109 1.00 64.34 C ATOM 96 O ALA A 8 -5.890 -17.003 -8.598 1.00 53.02 O ATOM 97 CB ALA A 8 -5.774 -13.811 -9.676 1.00 34.30 C ATOM 0 H ALA A 8 -5.019 -15.302 -7.243 1.00 2.33 H new ATOM 0 HA ALA A 8 -7.472 -14.293 -8.469 1.00 13.14 H new ATOM 0 HB1 ALA A 8 -6.320 -13.878 -10.617 1.00 34.30 H new ATOM 0 HB2 ALA A 8 -5.755 -12.774 -9.340 1.00 34.30 H new ATOM 0 HB3 ALA A 8 -4.753 -14.163 -9.823 1.00 34.30 H new ATOM 103 N ARG A 9 -7.432 -16.338 -10.097 1.00 24.33 N ATOM 104 CA ARG A 9 -7.630 -17.674 -10.648 1.00 3.43 C ATOM 105 C ARG A 9 -7.257 -17.713 -12.127 1.00 24.55 C ATOM 106 O ARG A 9 -7.415 -16.724 -12.844 1.00 74.33 O ATOM 107 CB ARG A 9 -9.084 -18.112 -10.466 1.00 43.23 C ATOM 108 CG ARG A 9 -9.277 -19.144 -9.368 1.00 73.32 C ATOM 109 CD ARG A 9 -10.156 -18.608 -8.248 1.00 53.14 C ATOM 110 NE ARG A 9 -10.723 -19.682 -7.435 1.00 5.44 N ATOM 111 CZ ARG A 9 -11.712 -20.468 -7.843 1.00 62.52 C ATOM 112 NH1 ARG A 9 -12.241 -20.303 -9.047 1.00 51.12 N ATOM 113 NH2 ARG A 9 -12.173 -21.423 -7.046 1.00 4.04 N ATOM 0 H ARG A 9 -8.003 -15.613 -10.532 1.00 24.33 H new ATOM 0 HA ARG A 9 -6.979 -18.363 -10.109 1.00 3.43 H new ATOM 0 HB2 ARG A 9 -9.693 -17.236 -10.241 1.00 43.23 H new ATOM 0 HB3 ARG A 9 -9.451 -18.522 -11.407 1.00 43.23 H new ATOM 0 HG2 ARG A 9 -9.728 -20.043 -9.787 1.00 73.32 H new ATOM 0 HG3 ARG A 9 -8.307 -19.433 -8.964 1.00 73.32 H new ATOM 0 HD2 ARG A 9 -9.569 -17.944 -7.613 1.00 53.14 H new ATOM 0 HD3 ARG A 9 -10.963 -18.011 -8.674 1.00 53.14 H new ATOM 0 HE ARG A 9 -10.338 -19.836 -6.503 1.00 5.44 H new ATOM 0 HH11 ARG A 9 -11.888 -19.571 -9.663 1.00 51.12 H new ATOM 0 HH12 ARG A 9 -13.001 -20.909 -9.358 1.00 51.12 H new ATOM 0 HH21 ARG A 9 -11.768 -21.554 -6.119 1.00 4.04 H new ATOM 0 HH22 ARG A 9 -12.933 -22.027 -7.360 1.00 4.04 H new ATOM 127 N ILE A 10 -6.759 -18.861 -12.576 1.00 52.23 N ATOM 128 CA ILE A 10 -6.363 -19.028 -13.969 1.00 33.20 C ATOM 129 C ILE A 10 -7.496 -18.637 -14.913 1.00 24.25 C ATOM 130 O ILE A 10 -8.589 -19.198 -14.853 1.00 42.00 O ATOM 131 CB ILE A 10 -5.943 -20.480 -14.263 1.00 24.23 C ATOM 132 CG1 ILE A 10 -4.746 -20.874 -13.394 1.00 74.34 C ATOM 133 CG2 ILE A 10 -5.609 -20.646 -15.739 1.00 75.32 C ATOM 134 CD1 ILE A 10 -4.667 -22.359 -13.112 1.00 5.42 C ATOM 0 H ILE A 10 -6.620 -19.688 -11.996 1.00 52.23 H new ATOM 0 HA ILE A 10 -5.510 -18.370 -14.137 1.00 33.20 H new ATOM 0 HB ILE A 10 -6.777 -21.140 -14.022 1.00 24.23 H new ATOM 0 HG12 ILE A 10 -3.828 -20.557 -13.889 1.00 74.34 H new ATOM 0 HG13 ILE A 10 -4.801 -20.335 -12.448 1.00 74.34 H new ATOM 0 HG21 ILE A 10 -5.314 -21.677 -15.931 1.00 75.32 H new ATOM 0 HG22 ILE A 10 -6.485 -20.401 -16.340 1.00 75.32 H new ATOM 0 HG23 ILE A 10 -4.789 -19.979 -16.004 1.00 75.32 H new ATOM 0 HD11 ILE A 10 -3.795 -22.566 -12.491 1.00 5.42 H new ATOM 0 HD12 ILE A 10 -5.568 -22.679 -12.589 1.00 5.42 H new ATOM 0 HD13 ILE A 10 -4.580 -22.904 -14.052 1.00 5.42 H new ATOM 146 N GLY A 11 -7.224 -17.672 -15.785 1.00 2.41 N ATOM 147 CA GLY A 11 -8.230 -17.224 -16.731 1.00 1.13 C ATOM 148 C GLY A 11 -9.089 -16.105 -16.176 1.00 64.35 C ATOM 149 O GLY A 11 -10.070 -15.701 -16.801 1.00 11.22 O ATOM 0 H GLY A 11 -6.326 -17.193 -15.854 1.00 2.41 H new ATOM 0 HA2 GLY A 11 -7.740 -16.884 -17.644 1.00 1.13 H new ATOM 0 HA3 GLY A 11 -8.867 -18.065 -17.005 1.00 1.13 H new ATOM 153 N GLU A 12 -8.723 -15.606 -15.001 1.00 2.05 N ATOM 154 CA GLU A 12 -9.469 -14.529 -14.362 1.00 74.41 C ATOM 155 C GLU A 12 -8.767 -13.189 -14.556 1.00 20.34 C ATOM 156 O GLU A 12 -7.542 -13.084 -14.473 1.00 41.23 O ATOM 157 CB GLU A 12 -9.643 -14.815 -12.869 1.00 71.23 C ATOM 158 CG GLU A 12 -10.380 -16.112 -12.580 1.00 13.11 C ATOM 159 CD GLU A 12 -11.610 -16.291 -13.448 1.00 51.31 C ATOM 160 OE1 GLU A 12 -12.397 -15.329 -13.566 1.00 43.31 O ATOM 161 OE2 GLU A 12 -11.786 -17.393 -14.009 1.00 3.53 O ATOM 0 H GLU A 12 -7.914 -15.930 -14.471 1.00 2.05 H new ATOM 0 HA GLU A 12 -10.451 -14.475 -14.831 1.00 74.41 H new ATOM 0 HB2 GLU A 12 -8.661 -14.852 -12.398 1.00 71.23 H new ATOM 0 HB3 GLU A 12 -10.186 -13.989 -12.410 1.00 71.23 H new ATOM 0 HG2 GLU A 12 -9.704 -16.952 -12.737 1.00 13.11 H new ATOM 0 HG3 GLU A 12 -10.675 -16.132 -11.531 1.00 13.11 H new ATOM 168 N PRO A 13 -9.557 -12.139 -14.820 1.00 40.34 N ATOM 169 CA PRO A 13 -9.034 -10.786 -15.031 1.00 42.01 C ATOM 170 C PRO A 13 -8.481 -10.171 -13.750 1.00 70.43 C ATOM 171 O PRO A 13 -9.023 -10.384 -12.664 1.00 42.50 O ATOM 172 CB PRO A 13 -10.256 -10.003 -15.516 1.00 73.43 C ATOM 173 CG PRO A 13 -11.424 -10.742 -14.958 1.00 51.32 C ATOM 174 CD PRO A 13 -11.025 -12.191 -14.934 1.00 12.04 C ATOM 0 HA PRO A 13 -8.200 -10.778 -15.733 1.00 42.01 H new ATOM 0 HB2 PRO A 13 -10.233 -8.973 -15.161 1.00 73.43 H new ATOM 0 HB3 PRO A 13 -10.295 -9.964 -16.605 1.00 73.43 H new ATOM 0 HG2 PRO A 13 -11.667 -10.388 -13.956 1.00 51.32 H new ATOM 0 HG3 PRO A 13 -12.311 -10.592 -15.573 1.00 51.32 H new ATOM 0 HD2 PRO A 13 -11.475 -12.718 -14.092 1.00 12.04 H new ATOM 0 HD3 PRO A 13 -11.340 -12.709 -15.840 1.00 12.04 H new ATOM 182 N LEU A 14 -7.402 -9.409 -13.882 1.00 41.25 N ATOM 183 CA LEU A 14 -6.776 -8.762 -12.734 1.00 54.10 C ATOM 184 C LEU A 14 -6.220 -7.394 -13.115 1.00 25.21 C ATOM 185 O LEU A 14 -5.681 -7.214 -14.207 1.00 45.25 O ATOM 186 CB LEU A 14 -5.658 -9.642 -12.175 1.00 31.44 C ATOM 187 CG LEU A 14 -4.985 -9.142 -10.896 1.00 12.23 C ATOM 188 CD1 LEU A 14 -5.954 -9.202 -9.724 1.00 45.34 C ATOM 189 CD2 LEU A 14 -3.734 -9.956 -10.598 1.00 62.12 C ATOM 0 H LEU A 14 -6.942 -9.223 -14.773 1.00 41.25 H new ATOM 0 HA LEU A 14 -7.538 -8.622 -11.967 1.00 54.10 H new ATOM 0 HB2 LEU A 14 -6.066 -10.634 -11.983 1.00 31.44 H new ATOM 0 HB3 LEU A 14 -4.893 -9.755 -12.944 1.00 31.44 H new ATOM 0 HG LEU A 14 -4.691 -8.103 -11.045 1.00 12.23 H new ATOM 0 HD11 LEU A 14 -5.458 -8.842 -8.823 1.00 45.34 H new ATOM 0 HD12 LEU A 14 -6.820 -8.575 -9.936 1.00 45.34 H new ATOM 0 HD13 LEU A 14 -6.279 -10.231 -9.573 1.00 45.34 H new ATOM 0 HD21 LEU A 14 -3.268 -9.586 -9.685 1.00 62.12 H new ATOM 0 HD22 LEU A 14 -4.004 -11.004 -10.469 1.00 62.12 H new ATOM 0 HD23 LEU A 14 -3.032 -9.862 -11.427 1.00 62.12 H new ATOM 201 N VAL A 15 -6.352 -6.433 -12.207 1.00 50.30 N ATOM 202 CA VAL A 15 -5.859 -5.082 -12.447 1.00 35.11 C ATOM 203 C VAL A 15 -4.863 -4.662 -11.372 1.00 4.42 C ATOM 204 O VAL A 15 -5.013 -5.009 -10.200 1.00 15.52 O ATOM 205 CB VAL A 15 -7.013 -4.063 -12.489 1.00 13.03 C ATOM 206 CG1 VAL A 15 -6.496 -2.685 -12.874 1.00 62.34 C ATOM 207 CG2 VAL A 15 -8.097 -4.524 -13.452 1.00 10.23 C ATOM 0 H VAL A 15 -6.796 -6.565 -11.298 1.00 50.30 H new ATOM 0 HA VAL A 15 -5.360 -5.094 -13.416 1.00 35.11 H new ATOM 0 HB VAL A 15 -7.450 -3.995 -11.493 1.00 13.03 H new ATOM 0 HG11 VAL A 15 -7.326 -1.979 -12.898 1.00 62.34 H new ATOM 0 HG12 VAL A 15 -5.760 -2.355 -12.141 1.00 62.34 H new ATOM 0 HG13 VAL A 15 -6.031 -2.733 -13.859 1.00 62.34 H new ATOM 0 HG21 VAL A 15 -8.904 -3.792 -13.469 1.00 10.23 H new ATOM 0 HG22 VAL A 15 -7.676 -4.623 -14.453 1.00 10.23 H new ATOM 0 HG23 VAL A 15 -8.488 -5.488 -13.125 1.00 10.23 H new ATOM 217 N LEU A 16 -3.844 -3.911 -11.778 1.00 30.10 N ATOM 218 CA LEU A 16 -2.822 -3.441 -10.850 1.00 62.31 C ATOM 219 C LEU A 16 -2.560 -1.951 -11.036 1.00 60.01 C ATOM 220 O LEU A 16 -2.668 -1.424 -12.143 1.00 45.15 O ATOM 221 CB LEU A 16 -1.525 -4.227 -11.049 1.00 23.34 C ATOM 222 CG LEU A 16 -1.565 -5.702 -10.649 1.00 72.53 C ATOM 223 CD1 LEU A 16 -0.532 -6.497 -11.433 1.00 43.52 C ATOM 224 CD2 LEU A 16 -1.335 -5.856 -9.153 1.00 0.13 C ATOM 0 H LEU A 16 -3.704 -3.615 -12.744 1.00 30.10 H new ATOM 0 HA LEU A 16 -3.186 -3.602 -9.835 1.00 62.31 H new ATOM 0 HB2 LEU A 16 -1.243 -4.164 -12.100 1.00 23.34 H new ATOM 0 HB3 LEU A 16 -0.736 -3.738 -10.478 1.00 23.34 H new ATOM 0 HG LEU A 16 -2.553 -6.095 -10.887 1.00 72.53 H new ATOM 0 HD11 LEU A 16 -0.576 -7.544 -11.134 1.00 43.52 H new ATOM 0 HD12 LEU A 16 -0.742 -6.415 -12.499 1.00 43.52 H new ATOM 0 HD13 LEU A 16 0.463 -6.102 -11.228 1.00 43.52 H new ATOM 0 HD21 LEU A 16 -1.367 -6.913 -8.887 1.00 0.13 H new ATOM 0 HD22 LEU A 16 -0.360 -5.445 -8.891 1.00 0.13 H new ATOM 0 HD23 LEU A 16 -2.113 -5.321 -8.608 1.00 0.13 H new ATOM 236 N LYS A 17 -2.214 -1.275 -9.945 1.00 70.25 N ATOM 237 CA LYS A 17 -1.933 0.155 -9.988 1.00 74.34 C ATOM 238 C LYS A 17 -0.461 0.429 -9.700 1.00 72.22 C ATOM 239 O LYS A 17 0.204 -0.349 -9.014 1.00 53.00 O ATOM 240 CB LYS A 17 -2.809 0.898 -8.975 1.00 45.23 C ATOM 241 CG LYS A 17 -2.671 2.409 -9.045 1.00 70.42 C ATOM 242 CD LYS A 17 -3.922 3.107 -8.538 1.00 44.31 C ATOM 243 CE LYS A 17 -5.046 3.051 -9.562 1.00 5.24 C ATOM 244 NZ LYS A 17 -5.987 4.195 -9.414 1.00 75.32 N ATOM 0 H LYS A 17 -2.122 -1.695 -9.020 1.00 70.25 H new ATOM 0 HA LYS A 17 -2.162 0.515 -10.991 1.00 74.34 H new ATOM 0 HB2 LYS A 17 -3.852 0.629 -9.142 1.00 45.23 H new ATOM 0 HB3 LYS A 17 -2.551 0.564 -7.970 1.00 45.23 H new ATOM 0 HG2 LYS A 17 -1.812 2.725 -8.453 1.00 70.42 H new ATOM 0 HG3 LYS A 17 -2.477 2.710 -10.074 1.00 70.42 H new ATOM 0 HD2 LYS A 17 -4.250 2.639 -7.610 1.00 44.31 H new ATOM 0 HD3 LYS A 17 -3.691 4.147 -8.306 1.00 44.31 H new ATOM 0 HE2 LYS A 17 -4.623 3.056 -10.567 1.00 5.24 H new ATOM 0 HE3 LYS A 17 -5.592 2.114 -9.451 1.00 5.24 H new ATOM 0 HZ1 LYS A 17 -6.738 4.121 -10.129 1.00 75.32 H new ATOM 0 HZ2 LYS A 17 -6.410 4.176 -8.464 1.00 75.32 H new ATOM 0 HZ3 LYS A 17 -5.471 5.088 -9.545 1.00 75.32 H new ATOM 258 N CYS A 18 0.044 1.540 -10.225 1.00 43.43 N ATOM 259 CA CYS A 18 1.437 1.918 -10.025 1.00 13.11 C ATOM 260 C CYS A 18 1.555 3.024 -8.981 1.00 2.11 C ATOM 261 O CYS A 18 1.302 4.195 -9.268 1.00 30.41 O ATOM 262 CB CYS A 18 2.058 2.378 -11.345 1.00 41.43 C ATOM 263 SG CYS A 18 2.238 1.056 -12.584 1.00 71.25 S ATOM 0 H CYS A 18 -0.492 2.195 -10.793 1.00 43.43 H new ATOM 0 HA CYS A 18 1.977 1.043 -9.664 1.00 13.11 H new ATOM 0 HB2 CYS A 18 1.443 3.174 -11.765 1.00 41.43 H new ATOM 0 HB3 CYS A 18 3.039 2.807 -11.142 1.00 41.43 H new ATOM 268 N LYS A 19 1.943 2.646 -7.767 1.00 75.10 N ATOM 269 CA LYS A 19 2.097 3.604 -6.679 1.00 50.01 C ATOM 270 C LYS A 19 3.076 4.710 -7.062 1.00 64.32 C ATOM 271 O LYS A 19 4.226 4.441 -7.407 1.00 54.23 O ATOM 272 CB LYS A 19 2.581 2.895 -5.413 1.00 1.22 C ATOM 273 CG LYS A 19 1.506 2.742 -4.352 1.00 53.45 C ATOM 274 CD LYS A 19 0.549 1.609 -4.686 1.00 23.42 C ATOM 275 CE LYS A 19 -0.862 1.910 -4.210 1.00 53.54 C ATOM 276 NZ LYS A 19 -1.872 1.045 -4.881 1.00 32.35 N ATOM 0 H LYS A 19 2.157 1.682 -7.512 1.00 75.10 H new ATOM 0 HA LYS A 19 1.124 4.056 -6.485 1.00 50.01 H new ATOM 0 HB2 LYS A 19 2.958 1.908 -5.681 1.00 1.22 H new ATOM 0 HB3 LYS A 19 3.418 3.452 -4.992 1.00 1.22 H new ATOM 0 HG2 LYS A 19 1.972 2.552 -3.385 1.00 53.45 H new ATOM 0 HG3 LYS A 19 0.949 3.674 -4.260 1.00 53.45 H new ATOM 0 HD2 LYS A 19 0.543 1.443 -5.763 1.00 23.42 H new ATOM 0 HD3 LYS A 19 0.901 0.687 -4.224 1.00 23.42 H new ATOM 0 HE2 LYS A 19 -0.920 1.765 -3.131 1.00 53.54 H new ATOM 0 HE3 LYS A 19 -1.095 2.957 -4.404 1.00 53.54 H new ATOM 0 HZ1 LYS A 19 -2.821 1.282 -4.528 1.00 32.35 H new ATOM 0 HZ2 LYS A 19 -1.835 1.201 -5.909 1.00 32.35 H new ATOM 0 HZ3 LYS A 19 -1.666 0.047 -4.675 1.00 32.35 H new ATOM 290 N GLY A 20 2.611 5.954 -6.999 1.00 20.25 N ATOM 291 CA GLY A 20 3.460 7.081 -7.340 1.00 43.01 C ATOM 292 C GLY A 20 2.857 7.952 -8.425 1.00 2.33 C ATOM 293 O GLY A 20 2.962 9.177 -8.375 1.00 10.42 O ATOM 0 H GLY A 20 1.662 6.202 -6.718 1.00 20.25 H new ATOM 0 HA2 GLY A 20 3.634 7.684 -6.449 1.00 43.01 H new ATOM 0 HA3 GLY A 20 4.431 6.714 -7.671 1.00 43.01 H new ATOM 434 N LEU A 29 7.296 6.309 -17.609 1.00 70.24 N ATOM 435 CA LEU A 29 7.206 5.182 -16.687 1.00 63.11 C ATOM 436 C LEU A 29 7.300 3.856 -17.436 1.00 53.12 C ATOM 437 O LEU A 29 7.081 3.800 -18.646 1.00 21.24 O ATOM 438 CB LEU A 29 5.896 5.245 -15.900 1.00 34.44 C ATOM 439 CG LEU A 29 4.757 6.029 -16.552 1.00 63.13 C ATOM 440 CD1 LEU A 29 4.435 5.460 -17.926 1.00 21.45 C ATOM 441 CD2 LEU A 29 3.522 6.015 -15.664 1.00 1.21 C ATOM 0 HA LEU A 29 8.043 5.245 -15.992 1.00 63.11 H new ATOM 0 HB2 LEU A 29 5.553 4.226 -15.722 1.00 34.44 H new ATOM 0 HB3 LEU A 29 6.102 5.687 -14.925 1.00 34.44 H new ATOM 0 HG LEU A 29 5.078 7.063 -16.676 1.00 63.13 H new ATOM 0 HD11 LEU A 29 3.622 6.031 -18.375 1.00 21.45 H new ATOM 0 HD12 LEU A 29 5.318 5.524 -18.562 1.00 21.45 H new ATOM 0 HD13 LEU A 29 4.134 4.417 -17.827 1.00 21.45 H new ATOM 0 HD21 LEU A 29 2.722 6.578 -16.145 1.00 1.21 H new ATOM 0 HD22 LEU A 29 3.198 4.986 -15.507 1.00 1.21 H new ATOM 0 HD23 LEU A 29 3.760 6.471 -14.703 1.00 1.21 H new ATOM 453 N GLU A 30 7.623 2.793 -16.708 1.00 60.11 N ATOM 454 CA GLU A 30 7.743 1.467 -17.304 1.00 52.04 C ATOM 455 C GLU A 30 7.082 0.412 -16.422 1.00 21.21 C ATOM 456 O GLU A 30 7.047 0.544 -15.199 1.00 33.12 O ATOM 457 CB GLU A 30 9.215 1.115 -17.525 1.00 51.21 C ATOM 458 CG GLU A 30 9.454 0.226 -18.734 1.00 70.41 C ATOM 459 CD GLU A 30 9.177 0.937 -20.044 1.00 54.23 C ATOM 460 OE1 GLU A 30 10.029 1.742 -20.475 1.00 12.12 O ATOM 461 OE2 GLU A 30 8.108 0.687 -20.640 1.00 22.32 O ATOM 0 H GLU A 30 7.806 2.823 -15.705 1.00 60.11 H new ATOM 0 HA GLU A 30 7.232 1.481 -18.267 1.00 52.04 H new ATOM 0 HB2 GLU A 30 9.786 2.036 -17.643 1.00 51.21 H new ATOM 0 HB3 GLU A 30 9.598 0.615 -16.635 1.00 51.21 H new ATOM 0 HG2 GLU A 30 10.487 -0.123 -18.725 1.00 70.41 H new ATOM 0 HG3 GLU A 30 8.819 -0.657 -18.663 1.00 70.41 H new ATOM 468 N TRP A 31 6.561 -0.635 -17.052 1.00 53.21 N ATOM 469 CA TRP A 31 5.901 -1.713 -16.324 1.00 63.51 C ATOM 470 C TRP A 31 6.713 -3.001 -16.406 1.00 25.14 C ATOM 471 O TRP A 31 7.283 -3.323 -17.449 1.00 60.50 O ATOM 472 CB TRP A 31 4.495 -1.947 -16.881 1.00 3.54 C ATOM 473 CG TRP A 31 3.565 -0.795 -16.646 1.00 22.12 C ATOM 474 CD1 TRP A 31 2.654 -0.671 -15.636 1.00 2.22 C ATOM 475 CD2 TRP A 31 3.454 0.392 -17.438 1.00 14.13 C ATOM 476 NE1 TRP A 31 1.984 0.523 -15.752 1.00 74.44 N ATOM 477 CE2 TRP A 31 2.456 1.194 -16.848 1.00 64.23 C ATOM 478 CE3 TRP A 31 4.101 0.857 -18.586 1.00 14.52 C ATOM 479 CZ2 TRP A 31 2.092 2.432 -17.371 1.00 44.12 C ATOM 480 CZ3 TRP A 31 3.738 2.087 -19.103 1.00 21.43 C ATOM 481 CH2 TRP A 31 2.741 2.863 -18.495 1.00 5.35 C ATOM 0 H TRP A 31 6.583 -0.760 -18.064 1.00 53.21 H new ATOM 0 HA TRP A 31 5.825 -1.418 -15.277 1.00 63.51 H new ATOM 0 HB2 TRP A 31 4.563 -2.137 -17.952 1.00 3.54 H new ATOM 0 HB3 TRP A 31 4.075 -2.843 -16.424 1.00 3.54 H new ATOM 0 HD1 TRP A 31 2.485 -1.403 -14.860 1.00 2.22 H new ATOM 0 HE1 TRP A 31 1.253 0.856 -15.123 1.00 74.44 H new ATOM 0 HE3 TRP A 31 4.871 0.266 -19.061 1.00 14.52 H new ATOM 0 HZ2 TRP A 31 1.324 3.031 -16.905 1.00 44.12 H new ATOM 0 HZ3 TRP A 31 4.231 2.456 -19.990 1.00 21.43 H new ATOM 0 HH2 TRP A 31 2.480 3.820 -18.923 1.00 5.35 H new ATOM 492 N LYS A 32 6.763 -3.735 -15.299 1.00 21.14 N ATOM 493 CA LYS A 32 7.505 -4.989 -15.245 1.00 73.23 C ATOM 494 C LYS A 32 6.712 -6.058 -14.499 1.00 71.10 C ATOM 495 O LYS A 32 6.035 -5.768 -13.512 1.00 13.15 O ATOM 496 CB LYS A 32 8.859 -4.776 -14.565 1.00 1.55 C ATOM 497 CG LYS A 32 9.987 -5.577 -15.191 1.00 22.53 C ATOM 498 CD LYS A 32 11.152 -4.687 -15.586 1.00 42.10 C ATOM 499 CE LYS A 32 11.820 -4.069 -14.367 1.00 20.24 C ATOM 500 NZ LYS A 32 13.023 -3.274 -14.736 1.00 42.53 N ATOM 0 H LYS A 32 6.298 -3.483 -14.427 1.00 21.14 H new ATOM 0 HA LYS A 32 7.669 -5.330 -16.267 1.00 73.23 H new ATOM 0 HB2 LYS A 32 9.112 -3.717 -14.603 1.00 1.55 H new ATOM 0 HB3 LYS A 32 8.774 -5.046 -13.512 1.00 1.55 H new ATOM 0 HG2 LYS A 32 10.330 -6.335 -14.487 1.00 22.53 H new ATOM 0 HG3 LYS A 32 9.616 -6.103 -16.070 1.00 22.53 H new ATOM 0 HD2 LYS A 32 11.883 -5.270 -16.146 1.00 42.10 H new ATOM 0 HD3 LYS A 32 10.799 -3.897 -16.249 1.00 42.10 H new ATOM 0 HE2 LYS A 32 11.107 -3.428 -13.848 1.00 20.24 H new ATOM 0 HE3 LYS A 32 12.106 -4.858 -13.671 1.00 20.24 H new ATOM 0 HZ1 LYS A 32 13.449 -2.870 -13.878 1.00 42.53 H new ATOM 0 HZ2 LYS A 32 13.715 -3.890 -15.209 1.00 42.53 H new ATOM 0 HZ3 LYS A 32 12.747 -2.506 -15.380 1.00 42.53 H new ATOM 514 N LEU A 33 6.802 -7.295 -14.976 1.00 13.11 N ATOM 515 CA LEU A 33 6.094 -8.407 -14.352 1.00 61.32 C ATOM 516 C LEU A 33 6.975 -9.651 -14.298 1.00 4.23 C ATOM 517 O LEU A 33 7.628 -10.005 -15.279 1.00 11.22 O ATOM 518 CB LEU A 33 4.807 -8.714 -15.120 1.00 63.04 C ATOM 519 CG LEU A 33 3.631 -9.221 -14.285 1.00 62.02 C ATOM 520 CD1 LEU A 33 2.332 -9.106 -15.068 1.00 34.24 C ATOM 521 CD2 LEU A 33 3.868 -10.660 -13.850 1.00 71.54 C ATOM 0 H LEU A 33 7.358 -7.553 -15.792 1.00 13.11 H new ATOM 0 HA LEU A 33 5.841 -8.118 -13.332 1.00 61.32 H new ATOM 0 HB2 LEU A 33 4.494 -7.809 -15.640 1.00 63.04 H new ATOM 0 HB3 LEU A 33 5.032 -9.459 -15.883 1.00 63.04 H new ATOM 0 HG LEU A 33 3.549 -8.601 -13.392 1.00 62.02 H new ATOM 0 HD11 LEU A 33 1.506 -9.471 -14.458 1.00 34.24 H new ATOM 0 HD12 LEU A 33 2.156 -8.063 -15.330 1.00 34.24 H new ATOM 0 HD13 LEU A 33 2.402 -9.701 -15.978 1.00 34.24 H new ATOM 0 HD21 LEU A 33 3.021 -11.005 -13.257 1.00 71.54 H new ATOM 0 HD22 LEU A 33 3.976 -11.293 -14.731 1.00 71.54 H new ATOM 0 HD23 LEU A 33 4.777 -10.714 -13.251 1.00 71.54 H new ATOM 533 N ASN A 34 6.987 -10.313 -13.145 1.00 14.42 N ATOM 534 CA ASN A 34 7.787 -11.518 -12.963 1.00 41.11 C ATOM 535 C ASN A 34 6.895 -12.728 -12.701 1.00 5.31 C ATOM 536 O ASN A 34 6.049 -12.709 -11.806 1.00 2.31 O ATOM 537 CB ASN A 34 8.768 -11.333 -11.804 1.00 24.42 C ATOM 538 CG ASN A 34 9.484 -12.621 -11.442 1.00 52.42 C ATOM 539 OD1 ASN A 34 8.924 -13.487 -10.769 1.00 54.11 O ATOM 540 ND2 ASN A 34 10.727 -12.753 -11.887 1.00 51.41 N ATOM 0 H ASN A 34 6.451 -10.035 -12.323 1.00 14.42 H new ATOM 0 HA ASN A 34 8.348 -11.694 -13.881 1.00 41.11 H new ATOM 0 HB2 ASN A 34 9.503 -10.574 -12.071 1.00 24.42 H new ATOM 0 HB3 ASN A 34 8.230 -10.962 -10.932 1.00 24.42 H new ATOM 0 HD21 ASN A 34 11.258 -13.598 -11.675 1.00 51.41 H new ATOM 0 HD22 ASN A 34 11.152 -12.010 -12.442 1.00 51.41 H new ATOM 547 N THR A 35 7.090 -13.781 -13.488 1.00 30.51 N ATOM 548 CA THR A 35 6.304 -15.000 -13.342 1.00 4.23 C ATOM 549 C THR A 35 7.175 -16.239 -13.518 1.00 61.32 C ATOM 550 O THR A 35 8.371 -16.137 -13.788 1.00 71.34 O ATOM 551 CB THR A 35 5.150 -15.049 -14.361 1.00 54.33 C ATOM 552 OG1 THR A 35 5.605 -15.622 -15.591 1.00 4.02 O ATOM 553 CG2 THR A 35 4.596 -13.656 -14.619 1.00 34.42 C ATOM 0 H THR A 35 7.786 -13.814 -14.233 1.00 30.51 H new ATOM 0 HA THR A 35 5.889 -14.991 -12.334 1.00 4.23 H new ATOM 0 HB THR A 35 4.355 -15.668 -13.945 1.00 54.33 H new ATOM 0 HG1 THR A 35 4.915 -16.219 -15.949 1.00 4.02 H new ATOM 0 HG21 THR A 35 3.782 -13.716 -15.342 1.00 34.42 H new ATOM 0 HG22 THR A 35 4.222 -13.235 -13.686 1.00 34.42 H new ATOM 0 HG23 THR A 35 5.386 -13.018 -15.015 1.00 34.42 H new ATOM 561 N GLY A 36 6.566 -17.411 -13.364 1.00 35.22 N ATOM 562 CA GLY A 36 7.300 -18.655 -13.509 1.00 4.43 C ATOM 563 C GLY A 36 8.252 -18.904 -12.355 1.00 53.44 C ATOM 564 O GLY A 36 7.869 -18.787 -11.191 1.00 23.44 O ATOM 0 H GLY A 36 5.577 -17.521 -13.141 1.00 35.22 H new ATOM 0 HA2 GLY A 36 6.595 -19.483 -13.580 1.00 4.43 H new ATOM 0 HA3 GLY A 36 7.863 -18.635 -14.442 1.00 4.43 H new ATOM 568 N ARG A 37 9.493 -19.250 -12.679 1.00 34.34 N ATOM 569 CA ARG A 37 10.501 -19.520 -11.660 1.00 71.02 C ATOM 570 C ARG A 37 11.597 -18.460 -11.686 1.00 23.21 C ATOM 571 O ARG A 37 12.113 -18.059 -10.642 1.00 2.21 O ATOM 572 CB ARG A 37 11.112 -20.906 -11.873 1.00 30.44 C ATOM 573 CG ARG A 37 11.401 -21.650 -10.578 1.00 74.14 C ATOM 574 CD ARG A 37 10.120 -22.144 -9.922 1.00 43.43 C ATOM 575 NE ARG A 37 9.936 -21.583 -8.587 1.00 2.41 N ATOM 576 CZ ARG A 37 10.642 -21.960 -7.528 1.00 31.11 C ATOM 577 NH1 ARG A 37 11.575 -22.895 -7.647 1.00 74.51 N ATOM 578 NH2 ARG A 37 10.417 -21.402 -6.345 1.00 73.00 N ATOM 0 H ARG A 37 9.825 -19.350 -13.638 1.00 34.34 H new ATOM 0 HA ARG A 37 10.014 -19.490 -10.685 1.00 71.02 H new ATOM 0 HB2 ARG A 37 10.433 -21.503 -12.482 1.00 30.44 H new ATOM 0 HB3 ARG A 37 12.039 -20.802 -12.437 1.00 30.44 H new ATOM 0 HG2 ARG A 37 12.057 -22.497 -10.782 1.00 74.14 H new ATOM 0 HG3 ARG A 37 11.933 -20.993 -9.890 1.00 74.14 H new ATOM 0 HD2 ARG A 37 9.267 -21.879 -10.547 1.00 43.43 H new ATOM 0 HD3 ARG A 37 10.142 -23.232 -9.858 1.00 43.43 H new ATOM 0 HE ARG A 37 9.226 -20.862 -8.461 1.00 2.41 H new ATOM 0 HH11 ARG A 37 11.752 -23.327 -8.554 1.00 74.51 H new ATOM 0 HH12 ARG A 37 12.116 -23.183 -6.831 1.00 74.51 H new ATOM 0 HH21 ARG A 37 9.701 -20.682 -6.249 1.00 73.00 H new ATOM 0 HH22 ARG A 37 10.960 -21.693 -5.532 1.00 73.00 H new ATOM 592 N THR A 38 11.950 -18.010 -12.886 1.00 4.43 N ATOM 593 CA THR A 38 12.986 -16.997 -13.048 1.00 70.32 C ATOM 594 C THR A 38 13.172 -16.631 -14.516 1.00 22.12 C ATOM 595 O THR A 38 13.549 -15.506 -14.841 1.00 3.23 O ATOM 596 CB THR A 38 14.334 -17.475 -12.476 1.00 34.34 C ATOM 597 OG1 THR A 38 15.194 -16.354 -12.245 1.00 24.22 O ATOM 598 CG2 THR A 38 15.010 -18.453 -13.425 1.00 73.35 C ATOM 0 H THR A 38 11.534 -18.331 -13.760 1.00 4.43 H new ATOM 0 HA THR A 38 12.656 -16.117 -12.495 1.00 70.32 H new ATOM 0 HB THR A 38 14.142 -17.985 -11.532 1.00 34.34 H new ATOM 0 HG1 THR A 38 16.048 -16.667 -11.880 1.00 24.22 H new ATOM 0 HG21 THR A 38 15.960 -18.776 -12.999 1.00 73.35 H new ATOM 0 HG22 THR A 38 14.366 -19.320 -13.574 1.00 73.35 H new ATOM 0 HG23 THR A 38 15.189 -17.965 -14.383 1.00 73.35 H new ATOM 606 N GLU A 39 12.905 -17.589 -15.398 1.00 41.41 N ATOM 607 CA GLU A 39 13.044 -17.365 -16.833 1.00 70.43 C ATOM 608 C GLU A 39 11.684 -17.111 -17.478 1.00 64.41 C ATOM 609 O GLU A 39 11.450 -17.486 -18.627 1.00 5.21 O ATOM 610 CB GLU A 39 13.718 -18.568 -17.496 1.00 5.13 C ATOM 611 CG GLU A 39 15.163 -18.767 -17.069 1.00 74.35 C ATOM 612 CD GLU A 39 15.623 -20.204 -17.222 1.00 24.32 C ATOM 613 OE1 GLU A 39 14.939 -21.105 -16.693 1.00 44.20 O ATOM 614 OE2 GLU A 39 16.668 -20.427 -17.870 1.00 34.22 O ATOM 0 H GLU A 39 12.592 -18.526 -15.145 1.00 41.41 H new ATOM 0 HA GLU A 39 13.667 -16.482 -16.979 1.00 70.43 H new ATOM 0 HB2 GLU A 39 13.151 -19.468 -17.259 1.00 5.13 H new ATOM 0 HB3 GLU A 39 13.681 -18.444 -18.578 1.00 5.13 H new ATOM 0 HG2 GLU A 39 15.806 -18.118 -17.663 1.00 74.35 H new ATOM 0 HG3 GLU A 39 15.276 -18.462 -16.029 1.00 74.35 H new ATOM 621 N ALA A 40 10.791 -16.474 -16.729 1.00 55.24 N ATOM 622 CA ALA A 40 9.455 -16.168 -17.228 1.00 32.10 C ATOM 623 C ALA A 40 9.144 -14.682 -17.090 1.00 21.12 C ATOM 624 O ALA A 40 8.094 -14.214 -17.531 1.00 63.11 O ATOM 625 CB ALA A 40 8.414 -16.998 -16.491 1.00 11.35 C ATOM 0 H ALA A 40 10.967 -16.160 -15.775 1.00 55.24 H new ATOM 0 HA ALA A 40 9.423 -16.422 -18.288 1.00 32.10 H new ATOM 0 HB1 ALA A 40 7.421 -16.760 -16.873 1.00 11.35 H new ATOM 0 HB2 ALA A 40 8.618 -18.058 -16.646 1.00 11.35 H new ATOM 0 HB3 ALA A 40 8.456 -16.772 -15.426 1.00 11.35 H new ATOM 631 N TRP A 41 10.062 -13.945 -16.474 1.00 3.02 N ATOM 632 CA TRP A 41 9.885 -12.511 -16.279 1.00 35.35 C ATOM 633 C TRP A 41 9.808 -11.783 -17.615 1.00 65.14 C ATOM 634 O TRP A 41 10.632 -12.006 -18.503 1.00 70.53 O ATOM 635 CB TRP A 41 11.032 -11.944 -15.441 1.00 32.22 C ATOM 636 CG TRP A 41 12.342 -11.920 -16.168 1.00 2.22 C ATOM 637 CD1 TRP A 41 13.071 -12.999 -16.581 1.00 31.25 C ATOM 638 CD2 TRP A 41 13.080 -10.759 -16.566 1.00 51.13 C ATOM 639 NE1 TRP A 41 14.217 -12.578 -17.212 1.00 22.34 N ATOM 640 CE2 TRP A 41 14.246 -11.209 -17.216 1.00 41.44 C ATOM 641 CE3 TRP A 41 12.869 -9.384 -16.438 1.00 50.35 C ATOM 642 CZ2 TRP A 41 15.194 -10.332 -17.735 1.00 13.20 C ATOM 643 CZ3 TRP A 41 13.811 -8.514 -16.953 1.00 51.23 C ATOM 644 CH2 TRP A 41 14.962 -8.991 -17.596 1.00 14.32 C ATOM 0 H TRP A 41 10.936 -14.317 -16.101 1.00 3.02 H new ATOM 0 HA TRP A 41 8.945 -12.356 -15.749 1.00 35.35 H new ATOM 0 HB2 TRP A 41 10.779 -10.931 -15.130 1.00 32.22 H new ATOM 0 HB3 TRP A 41 11.139 -12.539 -14.534 1.00 32.22 H new ATOM 0 HD1 TRP A 41 12.788 -14.031 -16.433 1.00 31.25 H new ATOM 0 HE1 TRP A 41 14.931 -13.187 -17.613 1.00 22.34 H new ATOM 0 HE3 TRP A 41 11.985 -9.007 -15.945 1.00 50.35 H new ATOM 0 HZ2 TRP A 41 16.082 -10.697 -18.230 1.00 13.20 H new ATOM 0 HZ3 TRP A 41 13.658 -7.449 -16.859 1.00 51.23 H new ATOM 0 HH2 TRP A 41 15.679 -8.286 -17.989 1.00 14.32 H new ATOM 655 N LYS A 42 8.814 -10.913 -17.754 1.00 53.22 N ATOM 656 CA LYS A 42 8.630 -10.151 -18.984 1.00 35.11 C ATOM 657 C LYS A 42 8.487 -8.662 -18.685 1.00 11.34 C ATOM 658 O LYS A 42 8.145 -8.273 -17.568 1.00 22.14 O ATOM 659 CB LYS A 42 7.395 -10.650 -19.738 1.00 65.21 C ATOM 660 CG LYS A 42 6.877 -11.988 -19.238 1.00 71.31 C ATOM 661 CD LYS A 42 6.046 -11.827 -17.977 1.00 33.13 C ATOM 662 CE LYS A 42 4.912 -12.840 -17.923 1.00 30.23 C ATOM 663 NZ LYS A 42 3.997 -12.710 -19.090 1.00 33.53 N ATOM 0 H LYS A 42 8.123 -10.718 -17.030 1.00 53.22 H new ATOM 0 HA LYS A 42 9.513 -10.296 -19.607 1.00 35.11 H new ATOM 0 HB2 LYS A 42 6.602 -9.907 -19.651 1.00 65.21 H new ATOM 0 HB3 LYS A 42 7.637 -10.736 -20.797 1.00 65.21 H new ATOM 0 HG2 LYS A 42 6.274 -12.459 -20.014 1.00 71.31 H new ATOM 0 HG3 LYS A 42 7.717 -12.653 -19.039 1.00 71.31 H new ATOM 0 HD2 LYS A 42 6.684 -11.947 -17.102 1.00 33.13 H new ATOM 0 HD3 LYS A 42 5.636 -10.818 -17.937 1.00 33.13 H new ATOM 0 HE2 LYS A 42 5.326 -13.848 -17.897 1.00 30.23 H new ATOM 0 HE3 LYS A 42 4.347 -12.704 -17.001 1.00 30.23 H new ATOM 0 HZ1 LYS A 42 3.037 -12.998 -18.812 1.00 33.53 H new ATOM 0 HZ2 LYS A 42 3.982 -11.721 -19.411 1.00 33.53 H new ATOM 0 HZ3 LYS A 42 4.332 -13.320 -19.863 1.00 33.53 H new ATOM 677 N VAL A 43 8.750 -7.833 -19.691 1.00 15.15 N ATOM 678 CA VAL A 43 8.649 -6.387 -19.535 1.00 55.45 C ATOM 679 C VAL A 43 7.337 -5.864 -20.110 1.00 42.55 C ATOM 680 O VAL A 43 7.040 -6.059 -21.290 1.00 22.53 O ATOM 681 CB VAL A 43 9.822 -5.664 -20.223 1.00 65.32 C ATOM 682 CG1 VAL A 43 9.817 -4.184 -19.873 1.00 43.14 C ATOM 683 CG2 VAL A 43 11.144 -6.309 -19.835 1.00 0.53 C ATOM 0 H VAL A 43 9.034 -8.138 -20.622 1.00 15.15 H new ATOM 0 HA VAL A 43 8.683 -6.181 -18.465 1.00 55.45 H new ATOM 0 HB VAL A 43 9.701 -5.756 -21.302 1.00 65.32 H new ATOM 0 HG11 VAL A 43 10.653 -3.690 -20.368 1.00 43.14 H new ATOM 0 HG12 VAL A 43 8.881 -3.735 -20.206 1.00 43.14 H new ATOM 0 HG13 VAL A 43 9.913 -4.065 -18.794 1.00 43.14 H new ATOM 0 HG21 VAL A 43 11.963 -5.786 -20.330 1.00 0.53 H new ATOM 0 HG22 VAL A 43 11.275 -6.249 -18.755 1.00 0.53 H new ATOM 0 HG23 VAL A 43 11.143 -7.355 -20.142 1.00 0.53 H new ATOM 693 N LEU A 44 6.555 -5.196 -19.270 1.00 52.14 N ATOM 694 CA LEU A 44 5.273 -4.642 -19.695 1.00 75.30 C ATOM 695 C LEU A 44 5.445 -3.230 -20.246 1.00 70.01 C ATOM 696 O LEU A 44 6.264 -2.455 -19.751 1.00 75.30 O ATOM 697 CB LEU A 44 4.288 -4.628 -18.523 1.00 10.32 C ATOM 698 CG LEU A 44 3.490 -5.913 -18.303 1.00 52.01 C ATOM 699 CD1 LEU A 44 2.872 -5.925 -16.913 1.00 51.01 C ATOM 700 CD2 LEU A 44 2.413 -6.061 -19.368 1.00 72.22 C ATOM 0 H LEU A 44 6.785 -5.024 -18.291 1.00 52.14 H new ATOM 0 HA LEU A 44 4.876 -5.276 -20.488 1.00 75.30 H new ATOM 0 HB2 LEU A 44 4.842 -4.408 -17.611 1.00 10.32 H new ATOM 0 HB3 LEU A 44 3.585 -3.809 -18.675 1.00 10.32 H new ATOM 0 HG LEU A 44 4.171 -6.760 -18.384 1.00 52.01 H new ATOM 0 HD11 LEU A 44 2.308 -6.847 -16.774 1.00 51.01 H new ATOM 0 HD12 LEU A 44 3.661 -5.866 -16.163 1.00 51.01 H new ATOM 0 HD13 LEU A 44 2.204 -5.071 -16.804 1.00 51.01 H new ATOM 0 HD21 LEU A 44 1.855 -6.981 -19.196 1.00 72.22 H new ATOM 0 HD22 LEU A 44 1.734 -5.210 -19.319 1.00 72.22 H new ATOM 0 HD23 LEU A 44 2.878 -6.098 -20.353 1.00 72.22 H new ATOM 712 N SER A 45 4.667 -2.903 -21.272 1.00 55.44 N ATOM 713 CA SER A 45 4.735 -1.584 -21.892 1.00 74.43 C ATOM 714 C SER A 45 3.354 -0.934 -21.937 1.00 5.31 C ATOM 715 O SER A 45 2.325 -1.591 -21.784 1.00 2.34 O ATOM 716 CB SER A 45 5.307 -1.691 -23.307 1.00 74.32 C ATOM 717 OG SER A 45 5.243 -3.024 -23.783 1.00 63.44 O ATOM 0 H SER A 45 3.983 -3.532 -21.692 1.00 55.44 H new ATOM 0 HA SER A 45 5.393 -0.959 -21.288 1.00 74.43 H new ATOM 0 HB2 SER A 45 4.752 -1.035 -23.978 1.00 74.32 H new ATOM 0 HB3 SER A 45 6.342 -1.349 -23.311 1.00 74.32 H new ATOM 0 HG SER A 45 5.613 -3.066 -24.690 1.00 63.44 H new ATOM 723 N PRO A 46 3.332 0.389 -22.153 1.00 10.44 N ATOM 724 CA PRO A 46 2.087 1.160 -22.224 1.00 64.23 C ATOM 725 C PRO A 46 1.280 0.842 -23.478 1.00 44.22 C ATOM 726 O PRO A 46 0.198 1.390 -23.686 1.00 32.25 O ATOM 727 CB PRO A 46 2.569 2.612 -22.251 1.00 33.51 C ATOM 728 CG PRO A 46 3.946 2.544 -22.814 1.00 42.01 C ATOM 729 CD PRO A 46 4.522 1.237 -22.345 1.00 10.12 C ATOM 0 HA PRO A 46 1.420 0.935 -21.392 1.00 64.23 H new ATOM 0 HB2 PRO A 46 1.919 3.233 -22.868 1.00 33.51 H new ATOM 0 HB3 PRO A 46 2.571 3.047 -21.252 1.00 33.51 H new ATOM 0 HG2 PRO A 46 3.925 2.593 -23.903 1.00 42.01 H new ATOM 0 HG3 PRO A 46 4.550 3.383 -22.469 1.00 42.01 H new ATOM 0 HD2 PRO A 46 5.204 0.811 -23.081 1.00 10.12 H new ATOM 0 HD3 PRO A 46 5.085 1.355 -21.419 1.00 10.12 H new ATOM 737 N GLN A 47 1.815 -0.045 -24.311 1.00 41.12 N ATOM 738 CA GLN A 47 1.143 -0.434 -25.546 1.00 4.11 C ATOM 739 C GLN A 47 0.904 -1.940 -25.585 1.00 3.35 C ATOM 740 O GLN A 47 1.732 -2.697 -26.091 1.00 43.30 O ATOM 741 CB GLN A 47 1.972 -0.005 -26.758 1.00 50.04 C ATOM 742 CG GLN A 47 1.142 0.224 -28.011 1.00 45.24 C ATOM 743 CD GLN A 47 0.479 1.587 -28.031 1.00 10.24 C ATOM 744 OE1 GLN A 47 1.010 2.540 -28.602 1.00 2.34 O ATOM 745 NE2 GLN A 47 -0.688 1.688 -27.406 1.00 70.55 N ATOM 0 H GLN A 47 2.710 -0.507 -24.154 1.00 41.12 H new ATOM 0 HA GLN A 47 0.177 0.069 -25.579 1.00 4.11 H new ATOM 0 HB2 GLN A 47 2.509 0.912 -26.515 1.00 50.04 H new ATOM 0 HB3 GLN A 47 2.722 -0.768 -26.963 1.00 50.04 H new ATOM 0 HG2 GLN A 47 1.780 0.122 -28.889 1.00 45.24 H new ATOM 0 HG3 GLN A 47 0.377 -0.549 -28.082 1.00 45.24 H new ATOM 0 HE21 GLN A 47 -1.092 0.873 -26.946 1.00 70.55 H new ATOM 0 HE22 GLN A 47 -1.180 2.581 -27.386 1.00 70.55 H new ATOM 852 N ALA A 56 -0.862 -8.671 -21.141 1.00 32.34 N ATOM 853 CA ALA A 56 -1.917 -7.763 -20.706 1.00 62.22 C ATOM 854 C ALA A 56 -1.744 -6.382 -21.328 1.00 25.11 C ATOM 855 O ALA A 56 -0.767 -6.127 -22.034 1.00 41.25 O ATOM 856 CB ALA A 56 -1.933 -7.662 -19.189 1.00 32.22 C ATOM 0 HA ALA A 56 -2.872 -8.167 -21.043 1.00 62.22 H new ATOM 0 HB1 ALA A 56 -2.725 -6.981 -18.878 1.00 32.22 H new ATOM 0 HB2 ALA A 56 -2.113 -8.648 -18.761 1.00 32.22 H new ATOM 0 HB3 ALA A 56 -0.972 -7.284 -18.839 1.00 32.22 H new ATOM 862 N ARG A 57 -2.696 -5.494 -21.063 1.00 34.24 N ATOM 863 CA ARG A 57 -2.649 -4.139 -21.598 1.00 61.03 C ATOM 864 C ARG A 57 -2.445 -3.120 -20.482 1.00 32.31 C ATOM 865 O ARG A 57 -2.691 -3.409 -19.310 1.00 23.43 O ATOM 866 CB ARG A 57 -3.937 -3.825 -22.362 1.00 33.33 C ATOM 867 CG ARG A 57 -4.485 -5.008 -23.144 1.00 3.20 C ATOM 868 CD ARG A 57 -5.704 -5.609 -22.463 1.00 30.43 C ATOM 869 NE ARG A 57 -6.896 -4.786 -22.647 1.00 31.34 N ATOM 870 CZ ARG A 57 -7.638 -4.802 -23.748 1.00 44.10 C ATOM 871 NH1 ARG A 57 -7.312 -5.594 -24.760 1.00 1.04 N ATOM 872 NH2 ARG A 57 -8.708 -4.023 -23.840 1.00 32.33 N ATOM 0 H ARG A 57 -3.510 -5.689 -20.480 1.00 34.24 H new ATOM 0 HA ARG A 57 -1.803 -4.075 -22.283 1.00 61.03 H new ATOM 0 HB2 ARG A 57 -4.694 -3.485 -21.656 1.00 33.33 H new ATOM 0 HB3 ARG A 57 -3.750 -3.001 -23.050 1.00 33.33 H new ATOM 0 HG2 ARG A 57 -4.751 -4.688 -24.152 1.00 3.20 H new ATOM 0 HG3 ARG A 57 -3.711 -5.769 -23.245 1.00 3.20 H new ATOM 0 HD2 ARG A 57 -5.887 -6.606 -22.862 1.00 30.43 H new ATOM 0 HD3 ARG A 57 -5.504 -5.724 -21.398 1.00 30.43 H new ATOM 0 HE ARG A 57 -7.174 -4.164 -21.888 1.00 31.34 H new ATOM 0 HH11 ARG A 57 -6.489 -6.193 -24.694 1.00 1.04 H new ATOM 0 HH12 ARG A 57 -7.884 -5.604 -25.604 1.00 1.04 H new ATOM 0 HH21 ARG A 57 -8.961 -3.411 -23.064 1.00 32.33 H new ATOM 0 HH22 ARG A 57 -9.277 -4.036 -24.686 1.00 32.33 H new ATOM 886 N VAL A 58 -1.994 -1.925 -20.852 1.00 71.22 N ATOM 887 CA VAL A 58 -1.759 -0.862 -19.883 1.00 20.24 C ATOM 888 C VAL A 58 -2.784 0.255 -20.032 1.00 14.13 C ATOM 889 O VAL A 58 -3.003 0.770 -21.129 1.00 33.41 O ATOM 890 CB VAL A 58 -0.345 -0.271 -20.033 1.00 3.54 C ATOM 891 CG1 VAL A 58 -0.255 1.079 -19.336 1.00 1.45 C ATOM 892 CG2 VAL A 58 0.697 -1.234 -19.485 1.00 5.35 C ATOM 0 H VAL A 58 -1.784 -1.669 -21.817 1.00 71.22 H new ATOM 0 HA VAL A 58 -1.856 -1.308 -18.893 1.00 20.24 H new ATOM 0 HB VAL A 58 -0.143 -0.121 -21.094 1.00 3.54 H new ATOM 0 HG11 VAL A 58 0.751 1.482 -19.452 1.00 1.45 H new ATOM 0 HG12 VAL A 58 -0.975 1.767 -19.780 1.00 1.45 H new ATOM 0 HG13 VAL A 58 -0.477 0.957 -18.276 1.00 1.45 H new ATOM 0 HG21 VAL A 58 1.690 -0.799 -19.600 1.00 5.35 H new ATOM 0 HG22 VAL A 58 0.502 -1.419 -18.429 1.00 5.35 H new ATOM 0 HG23 VAL A 58 0.647 -2.175 -20.033 1.00 5.35 H new ATOM 902 N LEU A 59 -3.411 0.626 -18.921 1.00 42.34 N ATOM 903 CA LEU A 59 -4.415 1.685 -18.927 1.00 14.20 C ATOM 904 C LEU A 59 -3.773 3.043 -19.193 1.00 34.10 C ATOM 905 O LEU A 59 -2.579 3.245 -18.974 1.00 52.52 O ATOM 906 CB LEU A 59 -5.163 1.714 -17.593 1.00 25.04 C ATOM 907 CG LEU A 59 -6.212 0.620 -17.387 1.00 1.40 C ATOM 908 CD1 LEU A 59 -6.720 0.630 -15.954 1.00 31.34 C ATOM 909 CD2 LEU A 59 -7.364 0.796 -18.364 1.00 45.43 C ATOM 0 H LEU A 59 -3.242 0.210 -18.005 1.00 42.34 H new ATOM 0 HA LEU A 59 -5.123 1.475 -19.729 1.00 14.20 H new ATOM 0 HB2 LEU A 59 -4.432 1.644 -16.788 1.00 25.04 H new ATOM 0 HB3 LEU A 59 -5.653 2.683 -17.495 1.00 25.04 H new ATOM 0 HG LEU A 59 -5.744 -0.346 -17.578 1.00 1.40 H new ATOM 0 HD11 LEU A 59 -7.465 -0.155 -15.827 1.00 31.34 H new ATOM 0 HD12 LEU A 59 -5.888 0.455 -15.272 1.00 31.34 H new ATOM 0 HD13 LEU A 59 -7.171 1.598 -15.735 1.00 31.34 H new ATOM 0 HD21 LEU A 59 -8.101 0.009 -18.203 1.00 45.43 H new ATOM 0 HD22 LEU A 59 -7.831 1.768 -18.205 1.00 45.43 H new ATOM 0 HD23 LEU A 59 -6.987 0.737 -19.385 1.00 45.43 H new ATOM 921 N PRO A 60 -4.584 3.997 -19.673 1.00 71.24 N ATOM 922 CA PRO A 60 -4.118 5.354 -19.976 1.00 73.12 C ATOM 923 C PRO A 60 -3.774 6.143 -18.718 1.00 30.30 C ATOM 924 O PRO A 60 -3.003 7.100 -18.766 1.00 20.14 O ATOM 925 CB PRO A 60 -5.312 5.987 -20.696 1.00 33.14 C ATOM 926 CG PRO A 60 -6.497 5.231 -20.200 1.00 3.21 C ATOM 927 CD PRO A 60 -6.019 3.826 -19.958 1.00 63.20 C ATOM 0 HA PRO A 60 -3.202 5.348 -20.566 1.00 73.12 H new ATOM 0 HB2 PRO A 60 -5.395 7.049 -20.466 1.00 33.14 H new ATOM 0 HB3 PRO A 60 -5.212 5.902 -21.778 1.00 33.14 H new ATOM 0 HG2 PRO A 60 -6.887 5.674 -19.284 1.00 3.21 H new ATOM 0 HG3 PRO A 60 -7.305 5.248 -20.931 1.00 3.21 H new ATOM 0 HD2 PRO A 60 -6.542 3.362 -19.122 1.00 63.20 H new ATOM 0 HD3 PRO A 60 -6.183 3.191 -20.828 1.00 63.20 H new ATOM 935 N ASN A 61 -4.351 5.734 -17.593 1.00 14.25 N ATOM 936 CA ASN A 61 -4.105 6.404 -16.320 1.00 52.43 C ATOM 937 C ASN A 61 -2.815 5.899 -15.680 1.00 44.34 C ATOM 938 O ASN A 61 -2.434 6.340 -14.597 1.00 12.14 O ATOM 939 CB ASN A 61 -5.281 6.182 -15.367 1.00 53.25 C ATOM 940 CG ASN A 61 -5.724 4.733 -15.322 1.00 44.03 C ATOM 941 OD1 ASN A 61 -4.960 3.829 -15.663 1.00 74.51 O ATOM 942 ND2 ASN A 61 -6.963 4.505 -14.902 1.00 52.01 N ATOM 0 H ASN A 61 -4.992 4.942 -17.536 1.00 14.25 H new ATOM 0 HA ASN A 61 -4.000 7.471 -16.514 1.00 52.43 H new ATOM 0 HB2 ASN A 61 -4.998 6.504 -14.365 1.00 53.25 H new ATOM 0 HB3 ASN A 61 -6.119 6.806 -15.677 1.00 53.25 H new ATOM 0 HD21 ASN A 61 -7.317 3.550 -14.852 1.00 52.01 H new ATOM 0 HD22 ASN A 61 -7.561 5.285 -14.629 1.00 52.01 H new ATOM 949 N GLY A 62 -2.147 4.972 -16.359 1.00 51.25 N ATOM 950 CA GLY A 62 -0.908 4.423 -15.843 1.00 32.50 C ATOM 951 C GLY A 62 -1.127 3.163 -15.028 1.00 43.22 C ATOM 952 O GLY A 62 -0.362 2.869 -14.110 1.00 22.34 O ATOM 0 H GLY A 62 -2.442 4.591 -17.258 1.00 51.25 H new ATOM 0 HA2 GLY A 62 -0.238 4.203 -16.674 1.00 32.50 H new ATOM 0 HA3 GLY A 62 -0.413 5.171 -15.224 1.00 32.50 H new ATOM 956 N SER A 63 -2.175 2.418 -15.364 1.00 13.12 N ATOM 957 CA SER A 63 -2.497 1.186 -14.654 1.00 22.45 C ATOM 958 C SER A 63 -2.276 -0.030 -15.548 1.00 42.01 C ATOM 959 O SER A 63 -1.880 0.100 -16.707 1.00 52.21 O ATOM 960 CB SER A 63 -3.945 1.217 -14.164 1.00 14.44 C ATOM 961 OG SER A 63 -4.044 1.857 -12.903 1.00 1.53 O ATOM 0 H SER A 63 -2.816 2.646 -16.124 1.00 13.12 H new ATOM 0 HA SER A 63 -1.832 1.108 -13.794 1.00 22.45 H new ATOM 0 HB2 SER A 63 -4.567 1.740 -14.890 1.00 14.44 H new ATOM 0 HB3 SER A 63 -4.329 0.200 -14.090 1.00 14.44 H new ATOM 0 HG SER A 63 -4.980 1.865 -12.613 1.00 1.53 H new ATOM 967 N LEU A 64 -2.536 -1.213 -15.002 1.00 71.22 N ATOM 968 CA LEU A 64 -2.367 -2.454 -15.749 1.00 2.24 C ATOM 969 C LEU A 64 -3.614 -3.327 -15.644 1.00 4.33 C ATOM 970 O LEU A 64 -4.116 -3.580 -14.550 1.00 34.24 O ATOM 971 CB LEU A 64 -1.147 -3.222 -15.233 1.00 53.45 C ATOM 972 CG LEU A 64 -0.914 -4.601 -15.849 1.00 31.14 C ATOM 973 CD1 LEU A 64 -0.116 -4.484 -17.138 1.00 14.44 C ATOM 974 CD2 LEU A 64 -0.200 -5.512 -14.859 1.00 61.14 C ATOM 0 H LEU A 64 -2.865 -1.339 -14.045 1.00 71.22 H new ATOM 0 HA LEU A 64 -2.211 -2.200 -16.797 1.00 2.24 H new ATOM 0 HB2 LEU A 64 -0.259 -2.614 -15.407 1.00 53.45 H new ATOM 0 HB3 LEU A 64 -1.246 -3.340 -14.154 1.00 53.45 H new ATOM 0 HG LEU A 64 -1.883 -5.040 -16.086 1.00 31.14 H new ATOM 0 HD11 LEU A 64 0.039 -5.476 -17.561 1.00 14.44 H new ATOM 0 HD12 LEU A 64 -0.664 -3.867 -17.851 1.00 14.44 H new ATOM 0 HD13 LEU A 64 0.850 -4.024 -16.928 1.00 14.44 H new ATOM 0 HD21 LEU A 64 -0.042 -6.490 -15.313 1.00 61.14 H new ATOM 0 HD22 LEU A 64 0.763 -5.076 -14.592 1.00 61.14 H new ATOM 0 HD23 LEU A 64 -0.809 -5.623 -13.962 1.00 61.14 H new ATOM 986 N PHE A 65 -4.106 -3.787 -16.790 1.00 3.41 N ATOM 987 CA PHE A 65 -5.293 -4.633 -16.826 1.00 45.14 C ATOM 988 C PHE A 65 -5.009 -5.934 -17.570 1.00 65.25 C ATOM 989 O PHE A 65 -4.460 -5.927 -18.673 1.00 11.14 O ATOM 990 CB PHE A 65 -6.453 -3.892 -17.496 1.00 3.12 C ATOM 991 CG PHE A 65 -7.737 -4.671 -17.503 1.00 42.42 C ATOM 992 CD1 PHE A 65 -7.951 -5.671 -18.439 1.00 42.44 C ATOM 993 CD2 PHE A 65 -8.730 -4.404 -16.574 1.00 63.21 C ATOM 994 CE1 PHE A 65 -9.132 -6.387 -18.449 1.00 34.43 C ATOM 995 CE2 PHE A 65 -9.912 -5.119 -16.579 1.00 40.33 C ATOM 996 CZ PHE A 65 -10.113 -6.113 -17.517 1.00 71.01 C ATOM 0 H PHE A 65 -3.701 -3.588 -17.705 1.00 3.41 H new ATOM 0 HA PHE A 65 -5.569 -4.874 -15.800 1.00 45.14 H new ATOM 0 HB2 PHE A 65 -6.615 -2.945 -16.981 1.00 3.12 H new ATOM 0 HB3 PHE A 65 -6.176 -3.653 -18.523 1.00 3.12 H new ATOM 0 HD1 PHE A 65 -7.186 -5.893 -19.168 1.00 42.44 H new ATOM 0 HD2 PHE A 65 -8.578 -3.628 -15.838 1.00 63.21 H new ATOM 0 HE1 PHE A 65 -9.288 -7.161 -19.186 1.00 34.43 H new ATOM 0 HE2 PHE A 65 -10.678 -4.901 -15.850 1.00 40.33 H new ATOM 0 HZ PHE A 65 -11.036 -6.675 -17.521 1.00 71.01 H new ATOM 1006 N LEU A 66 -5.389 -7.052 -16.959 1.00 45.31 N ATOM 1007 CA LEU A 66 -5.176 -8.363 -17.562 1.00 21.13 C ATOM 1008 C LEU A 66 -6.505 -9.030 -17.900 1.00 75.23 C ATOM 1009 O LEU A 66 -7.409 -9.124 -17.069 1.00 11.25 O ATOM 1010 CB LEU A 66 -4.370 -9.256 -16.617 1.00 60.45 C ATOM 1011 CG LEU A 66 -2.971 -8.758 -16.252 1.00 43.41 C ATOM 1012 CD1 LEU A 66 -2.867 -8.506 -14.756 1.00 52.11 C ATOM 1013 CD2 LEU A 66 -1.915 -9.757 -16.702 1.00 73.42 C ATOM 0 H LEU A 66 -5.846 -7.076 -16.047 1.00 45.31 H new ATOM 0 HA LEU A 66 -4.616 -8.223 -18.486 1.00 21.13 H new ATOM 0 HB2 LEU A 66 -4.940 -9.384 -15.697 1.00 60.45 H new ATOM 0 HB3 LEU A 66 -4.275 -10.241 -17.073 1.00 60.45 H new ATOM 0 HG LEU A 66 -2.795 -7.816 -16.771 1.00 43.41 H new ATOM 0 HD11 LEU A 66 -1.864 -8.152 -14.515 1.00 52.11 H new ATOM 0 HD12 LEU A 66 -3.598 -7.753 -14.462 1.00 52.11 H new ATOM 0 HD13 LEU A 66 -3.064 -9.432 -14.216 1.00 52.11 H new ATOM 0 HD21 LEU A 66 -0.926 -9.386 -16.434 1.00 73.42 H new ATOM 0 HD22 LEU A 66 -2.088 -10.715 -16.212 1.00 73.42 H new ATOM 0 HD23 LEU A 66 -1.974 -9.886 -17.783 1.00 73.42 H new ATOM 1025 N PRO A 67 -6.629 -9.506 -19.148 1.00 21.33 N ATOM 1026 CA PRO A 67 -7.843 -10.176 -19.623 1.00 54.43 C ATOM 1027 C PRO A 67 -8.043 -11.542 -18.976 1.00 65.24 C ATOM 1028 O PRO A 67 -9.173 -11.972 -18.750 1.00 60.25 O ATOM 1029 CB PRO A 67 -7.601 -10.326 -21.127 1.00 12.34 C ATOM 1030 CG PRO A 67 -6.118 -10.331 -21.272 1.00 50.43 C ATOM 1031 CD PRO A 67 -5.593 -9.429 -20.190 1.00 4.34 C ATOM 0 HA PRO A 67 -8.742 -9.611 -19.377 1.00 54.43 H new ATOM 0 HB2 PRO A 67 -8.039 -11.248 -21.509 1.00 12.34 H new ATOM 0 HB3 PRO A 67 -8.051 -9.504 -21.685 1.00 12.34 H new ATOM 0 HG2 PRO A 67 -5.719 -11.340 -21.167 1.00 50.43 H new ATOM 0 HG3 PRO A 67 -5.821 -9.972 -22.257 1.00 50.43 H new ATOM 0 HD2 PRO A 67 -4.625 -9.767 -19.820 1.00 4.34 H new ATOM 0 HD3 PRO A 67 -5.459 -8.408 -20.548 1.00 4.34 H new ATOM 1039 N ALA A 68 -6.938 -12.219 -18.681 1.00 51.41 N ATOM 1040 CA ALA A 68 -6.993 -13.535 -18.058 1.00 62.44 C ATOM 1041 C ALA A 68 -5.607 -13.989 -17.610 1.00 53.23 C ATOM 1042 O ALA A 68 -4.795 -14.429 -18.422 1.00 24.13 O ATOM 1043 CB ALA A 68 -7.596 -14.549 -19.020 1.00 34.14 C ATOM 0 H ALA A 68 -5.994 -11.878 -18.864 1.00 51.41 H new ATOM 0 HA ALA A 68 -7.628 -13.465 -17.174 1.00 62.44 H new ATOM 0 HB1 ALA A 68 -7.631 -15.528 -18.542 1.00 34.14 H new ATOM 0 HB2 ALA A 68 -8.606 -14.240 -19.288 1.00 34.14 H new ATOM 0 HB3 ALA A 68 -6.983 -14.606 -19.919 1.00 34.14 H new ATOM 1049 N VAL A 69 -5.344 -13.876 -16.312 1.00 32.01 N ATOM 1050 CA VAL A 69 -4.056 -14.274 -15.756 1.00 73.25 C ATOM 1051 C VAL A 69 -3.919 -15.792 -15.723 1.00 34.45 C ATOM 1052 O VAL A 69 -4.664 -16.478 -15.026 1.00 73.32 O ATOM 1053 CB VAL A 69 -3.866 -13.721 -14.331 1.00 13.12 C ATOM 1054 CG1 VAL A 69 -3.663 -12.213 -14.365 1.00 64.34 C ATOM 1055 CG2 VAL A 69 -5.054 -14.087 -13.454 1.00 1.45 C ATOM 0 H VAL A 69 -6.005 -13.512 -15.626 1.00 32.01 H new ATOM 0 HA VAL A 69 -3.287 -13.856 -16.405 1.00 73.25 H new ATOM 0 HB VAL A 69 -2.973 -14.174 -13.901 1.00 13.12 H new ATOM 0 HG11 VAL A 69 -3.531 -11.841 -13.349 1.00 64.34 H new ATOM 0 HG12 VAL A 69 -2.778 -11.978 -14.956 1.00 64.34 H new ATOM 0 HG13 VAL A 69 -4.535 -11.738 -14.814 1.00 64.34 H new ATOM 0 HG21 VAL A 69 -4.902 -13.688 -12.451 1.00 1.45 H new ATOM 0 HG22 VAL A 69 -5.964 -13.664 -13.879 1.00 1.45 H new ATOM 0 HG23 VAL A 69 -5.148 -15.172 -13.403 1.00 1.45 H new ATOM 1065 N GLY A 70 -2.957 -16.310 -16.481 1.00 1.45 N ATOM 1066 CA GLY A 70 -2.738 -17.743 -16.524 1.00 25.40 C ATOM 1067 C GLY A 70 -1.798 -18.219 -15.433 1.00 5.21 C ATOM 1068 O GLY A 70 -1.069 -17.423 -14.842 1.00 15.43 O ATOM 0 H GLY A 70 -2.326 -15.762 -17.066 1.00 1.45 H new ATOM 0 HA2 GLY A 70 -3.694 -18.257 -16.425 1.00 25.40 H new ATOM 0 HA3 GLY A 70 -2.329 -18.016 -17.497 1.00 25.40 H new ATOM 1072 N ILE A 71 -1.814 -19.521 -15.167 1.00 13.13 N ATOM 1073 CA ILE A 71 -0.957 -20.101 -14.140 1.00 3.42 C ATOM 1074 C ILE A 71 0.508 -19.752 -14.386 1.00 73.41 C ATOM 1075 O ILE A 71 1.295 -19.645 -13.446 1.00 43.22 O ATOM 1076 CB ILE A 71 -1.105 -21.632 -14.082 1.00 54.10 C ATOM 1077 CG1 ILE A 71 -0.923 -22.130 -12.646 1.00 4.31 C ATOM 1078 CG2 ILE A 71 -0.102 -22.297 -15.011 1.00 22.50 C ATOM 1079 CD1 ILE A 71 -0.157 -23.431 -12.551 1.00 51.21 C ATOM 0 H ILE A 71 -2.411 -20.194 -15.648 1.00 13.13 H new ATOM 0 HA ILE A 71 -1.275 -19.677 -13.187 1.00 3.42 H new ATOM 0 HB ILE A 71 -2.109 -21.898 -14.414 1.00 54.10 H new ATOM 0 HG12 ILE A 71 -0.401 -21.367 -12.069 1.00 4.31 H new ATOM 0 HG13 ILE A 71 -1.904 -22.261 -12.188 1.00 4.31 H new ATOM 0 HG21 ILE A 71 -0.219 -23.379 -14.958 1.00 22.50 H new ATOM 0 HG22 ILE A 71 -0.276 -21.962 -16.034 1.00 22.50 H new ATOM 0 HG23 ILE A 71 0.910 -22.027 -14.708 1.00 22.50 H new ATOM 0 HD11 ILE A 71 -0.066 -23.724 -11.505 1.00 51.21 H new ATOM 0 HD12 ILE A 71 -0.689 -24.208 -13.100 1.00 51.21 H new ATOM 0 HD13 ILE A 71 0.837 -23.300 -12.979 1.00 51.21 H new ATOM 1091 N GLN A 72 0.863 -19.575 -15.653 1.00 24.50 N ATOM 1092 CA GLN A 72 2.233 -19.238 -16.022 1.00 44.21 C ATOM 1093 C GLN A 72 2.539 -17.778 -15.704 1.00 12.42 C ATOM 1094 O GLN A 72 3.697 -17.399 -15.529 1.00 60.43 O ATOM 1095 CB GLN A 72 2.465 -19.507 -17.509 1.00 41.44 C ATOM 1096 CG GLN A 72 2.382 -20.979 -17.883 1.00 14.04 C ATOM 1097 CD GLN A 72 2.505 -21.210 -19.376 1.00 33.24 C ATOM 1098 OE1 GLN A 72 1.569 -21.680 -20.021 1.00 53.32 O ATOM 1099 NE2 GLN A 72 3.665 -20.882 -19.932 1.00 12.22 N ATOM 0 H GLN A 72 0.222 -19.659 -16.442 1.00 24.50 H new ATOM 0 HA GLN A 72 2.904 -19.867 -15.438 1.00 44.21 H new ATOM 0 HB2 GLN A 72 1.728 -18.951 -18.089 1.00 41.44 H new ATOM 0 HB3 GLN A 72 3.446 -19.124 -17.790 1.00 41.44 H new ATOM 0 HG2 GLN A 72 3.172 -21.526 -17.368 1.00 14.04 H new ATOM 0 HG3 GLN A 72 1.433 -21.386 -17.533 1.00 14.04 H new ATOM 0 HE21 GLN A 72 4.414 -20.495 -19.358 1.00 12.22 H new ATOM 0 HE22 GLN A 72 3.807 -21.017 -20.933 1.00 12.22 H new ATOM 1108 N ASP A 73 1.492 -16.962 -15.630 1.00 21.22 N ATOM 1109 CA ASP A 73 1.648 -15.543 -15.331 1.00 62.43 C ATOM 1110 C ASP A 73 1.807 -15.318 -13.831 1.00 73.21 C ATOM 1111 O ASP A 73 2.047 -14.196 -13.385 1.00 73.24 O ATOM 1112 CB ASP A 73 0.446 -14.755 -15.855 1.00 20.43 C ATOM 1113 CG ASP A 73 0.694 -14.166 -17.229 1.00 24.24 C ATOM 1114 OD1 ASP A 73 1.643 -14.617 -17.906 1.00 12.41 O ATOM 1115 OD2 ASP A 73 -0.060 -13.254 -17.628 1.00 64.11 O ATOM 0 H ASP A 73 0.527 -17.259 -15.773 1.00 21.22 H new ATOM 0 HA ASP A 73 2.550 -15.188 -15.830 1.00 62.43 H new ATOM 0 HB2 ASP A 73 -0.424 -15.410 -15.895 1.00 20.43 H new ATOM 0 HB3 ASP A 73 0.209 -13.953 -15.156 1.00 20.43 H new ATOM 1120 N GLU A 74 1.668 -16.391 -13.058 1.00 1.12 N ATOM 1121 CA GLU A 74 1.794 -16.308 -11.608 1.00 33.12 C ATOM 1122 C GLU A 74 3.206 -15.888 -11.207 1.00 53.14 C ATOM 1123 O GLU A 74 4.188 -16.324 -11.805 1.00 2.12 O ATOM 1124 CB GLU A 74 1.450 -17.654 -10.967 1.00 14.14 C ATOM 1125 CG GLU A 74 2.576 -18.672 -11.044 1.00 51.23 C ATOM 1126 CD GLU A 74 2.213 -19.993 -10.396 1.00 24.52 C ATOM 1127 OE1 GLU A 74 2.288 -20.085 -9.153 1.00 74.13 O ATOM 1128 OE2 GLU A 74 1.854 -20.937 -11.132 1.00 2.51 O ATOM 0 H GLU A 74 1.468 -17.327 -13.412 1.00 1.12 H new ATOM 0 HA GLU A 74 1.094 -15.553 -11.251 1.00 33.12 H new ATOM 0 HB2 GLU A 74 1.189 -17.492 -9.921 1.00 14.14 H new ATOM 0 HB3 GLU A 74 0.567 -18.064 -11.456 1.00 14.14 H new ATOM 0 HG2 GLU A 74 2.835 -18.843 -12.089 1.00 51.23 H new ATOM 0 HG3 GLU A 74 3.463 -18.265 -10.558 1.00 51.23 H new ATOM 1135 N GLY A 75 3.297 -15.036 -10.191 1.00 31.32 N ATOM 1136 CA GLY A 75 4.591 -14.570 -9.727 1.00 54.21 C ATOM 1137 C GLY A 75 4.496 -13.268 -8.958 1.00 13.45 C ATOM 1138 O GLY A 75 3.620 -13.104 -8.107 1.00 11.14 O ATOM 0 H GLY A 75 2.498 -14.660 -9.681 1.00 31.32 H new ATOM 0 HA2 GLY A 75 5.042 -15.332 -9.091 1.00 54.21 H new ATOM 0 HA3 GLY A 75 5.254 -14.436 -10.582 1.00 54.21 H new ATOM 1142 N ILE A 76 5.399 -12.339 -9.254 1.00 64.34 N ATOM 1143 CA ILE A 76 5.414 -11.046 -8.583 1.00 51.40 C ATOM 1144 C ILE A 76 5.389 -9.903 -9.593 1.00 13.12 C ATOM 1145 O ILE A 76 6.112 -9.923 -10.588 1.00 3.34 O ATOM 1146 CB ILE A 76 6.653 -10.893 -7.682 1.00 4.41 C ATOM 1147 CG1 ILE A 76 6.416 -11.574 -6.333 1.00 14.14 C ATOM 1148 CG2 ILE A 76 6.988 -9.421 -7.487 1.00 61.23 C ATOM 1149 CD1 ILE A 76 7.661 -12.202 -5.746 1.00 0.30 C ATOM 0 H ILE A 76 6.130 -12.459 -9.955 1.00 64.34 H new ATOM 0 HA ILE A 76 4.518 -11.001 -7.964 1.00 51.40 H new ATOM 0 HB ILE A 76 7.500 -11.377 -8.168 1.00 4.41 H new ATOM 0 HG12 ILE A 76 6.022 -10.841 -5.629 1.00 14.14 H new ATOM 0 HG13 ILE A 76 5.653 -12.343 -6.452 1.00 14.14 H new ATOM 0 HG21 ILE A 76 7.866 -9.329 -6.848 1.00 61.23 H new ATOM 0 HG22 ILE A 76 7.194 -8.963 -8.455 1.00 61.23 H new ATOM 0 HG23 ILE A 76 6.144 -8.915 -7.019 1.00 61.23 H new ATOM 0 HD11 ILE A 76 7.418 -12.666 -4.790 1.00 0.30 H new ATOM 0 HD12 ILE A 76 8.044 -12.959 -6.430 1.00 0.30 H new ATOM 0 HD13 ILE A 76 8.419 -11.434 -5.594 1.00 0.30 H new ATOM 1161 N PHE A 77 4.551 -8.905 -9.328 1.00 12.44 N ATOM 1162 CA PHE A 77 4.433 -7.751 -10.212 1.00 32.31 C ATOM 1163 C PHE A 77 5.193 -6.554 -9.649 1.00 71.42 C ATOM 1164 O PHE A 77 5.152 -6.288 -8.448 1.00 10.21 O ATOM 1165 CB PHE A 77 2.961 -7.387 -10.413 1.00 53.33 C ATOM 1166 CG PHE A 77 2.758 -6.074 -11.115 1.00 25.22 C ATOM 1167 CD1 PHE A 77 2.762 -4.885 -10.403 1.00 40.05 C ATOM 1168 CD2 PHE A 77 2.566 -6.029 -12.487 1.00 1.05 C ATOM 1169 CE1 PHE A 77 2.576 -3.676 -11.046 1.00 11.21 C ATOM 1170 CE2 PHE A 77 2.382 -4.822 -13.135 1.00 35.41 C ATOM 1171 CZ PHE A 77 2.386 -3.645 -12.414 1.00 14.22 C ATOM 0 H PHE A 77 3.944 -8.873 -8.509 1.00 12.44 H new ATOM 0 HA PHE A 77 4.870 -8.015 -11.175 1.00 32.31 H new ATOM 0 HB2 PHE A 77 2.475 -8.176 -10.987 1.00 53.33 H new ATOM 0 HB3 PHE A 77 2.468 -7.350 -9.441 1.00 53.33 H new ATOM 0 HD1 PHE A 77 2.912 -4.903 -9.334 1.00 40.05 H new ATOM 0 HD2 PHE A 77 2.560 -6.947 -13.056 1.00 1.05 H new ATOM 0 HE1 PHE A 77 2.579 -2.756 -10.480 1.00 11.21 H new ATOM 0 HE2 PHE A 77 2.235 -4.800 -14.205 1.00 35.41 H new ATOM 0 HZ PHE A 77 2.241 -2.701 -12.919 1.00 14.22 H new ATOM 1181 N ARG A 78 5.887 -5.836 -10.527 1.00 31.52 N ATOM 1182 CA ARG A 78 6.658 -4.668 -10.119 1.00 23.13 C ATOM 1183 C ARG A 78 6.505 -3.535 -11.129 1.00 62.43 C ATOM 1184 O ARG A 78 6.705 -3.728 -12.329 1.00 12.24 O ATOM 1185 CB ARG A 78 8.135 -5.034 -9.966 1.00 3.12 C ATOM 1186 CG ARG A 78 8.364 -6.383 -9.304 1.00 41.15 C ATOM 1187 CD ARG A 78 9.843 -6.729 -9.239 1.00 52.40 C ATOM 1188 NE ARG A 78 10.462 -6.733 -10.561 1.00 24.40 N ATOM 1189 CZ ARG A 78 11.696 -7.166 -10.793 1.00 24.34 C ATOM 1190 NH1 ARG A 78 12.439 -7.628 -9.796 1.00 45.32 N ATOM 1191 NH2 ARG A 78 12.191 -7.138 -12.025 1.00 14.11 N ATOM 0 H ARG A 78 5.931 -6.043 -11.525 1.00 31.52 H new ATOM 0 HA ARG A 78 6.274 -4.328 -9.157 1.00 23.13 H new ATOM 0 HB2 ARG A 78 8.603 -5.038 -10.950 1.00 3.12 H new ATOM 0 HB3 ARG A 78 8.633 -4.262 -9.379 1.00 3.12 H new ATOM 0 HG2 ARG A 78 7.948 -6.370 -8.297 1.00 41.15 H new ATOM 0 HG3 ARG A 78 7.833 -7.156 -9.859 1.00 41.15 H new ATOM 0 HD2 ARG A 78 10.356 -6.010 -8.601 1.00 52.40 H new ATOM 0 HD3 ARG A 78 9.966 -7.709 -8.778 1.00 52.40 H new ATOM 0 HE ARG A 78 9.917 -6.384 -11.350 1.00 24.40 H new ATOM 0 HH11 ARG A 78 12.063 -7.651 -8.848 1.00 45.32 H new ATOM 0 HH12 ARG A 78 13.386 -7.960 -9.977 1.00 45.32 H new ATOM 0 HH21 ARG A 78 11.623 -6.784 -12.795 1.00 14.11 H new ATOM 0 HH22 ARG A 78 13.139 -7.471 -12.201 1.00 14.11 H new ATOM 1205 N CYS A 79 6.150 -2.354 -10.637 1.00 55.24 N ATOM 1206 CA CYS A 79 5.968 -1.189 -11.496 1.00 22.35 C ATOM 1207 C CYS A 79 6.827 -0.022 -11.017 1.00 63.14 C ATOM 1208 O CYS A 79 7.216 0.038 -9.851 1.00 22.24 O ATOM 1209 CB CYS A 79 4.496 -0.775 -11.524 1.00 45.04 C ATOM 1210 SG CYS A 79 4.099 0.468 -12.795 1.00 53.23 S ATOM 0 H CYS A 79 5.982 -2.177 -9.647 1.00 55.24 H new ATOM 0 HA CYS A 79 6.281 -1.459 -12.504 1.00 22.35 H new ATOM 0 HB2 CYS A 79 3.883 -1.661 -11.693 1.00 45.04 H new ATOM 0 HB3 CYS A 79 4.222 -0.380 -10.546 1.00 45.04 H new ATOM 1215 N GLN A 80 7.119 0.903 -11.927 1.00 75.44 N ATOM 1216 CA GLN A 80 7.931 2.068 -11.597 1.00 73.24 C ATOM 1217 C GLN A 80 7.357 3.329 -12.234 1.00 52.13 C ATOM 1218 O GLN A 80 6.897 3.306 -13.375 1.00 13.41 O ATOM 1219 CB GLN A 80 9.373 1.857 -12.063 1.00 55.44 C ATOM 1220 CG GLN A 80 9.603 2.234 -13.519 1.00 74.51 C ATOM 1221 CD GLN A 80 11.000 1.889 -13.996 1.00 52.44 C ATOM 1222 OE1 GLN A 80 11.126 0.769 -14.699 1.00 3.13 O flip ATOM 1223 NE2 GLN A 80 11.954 2.621 -13.737 1.00 54.23 N flip ATOM 0 H GLN A 80 6.806 0.868 -12.897 1.00 75.44 H new ATOM 0 HA GLN A 80 7.921 2.194 -10.514 1.00 73.24 H new ATOM 0 HB2 GLN A 80 10.039 2.447 -11.434 1.00 55.44 H new ATOM 0 HB3 GLN A 80 9.643 0.811 -11.920 1.00 55.44 H new ATOM 0 HG2 GLN A 80 8.872 1.720 -14.144 1.00 74.51 H new ATOM 0 HG3 GLN A 80 9.434 3.303 -13.645 1.00 74.51 H new ATOM 0 HE21 GLN A 80 11.811 3.472 -13.194 1.00 54.23 H new ATOM 0 HE22 GLN A 80 12.888 2.377 -14.066 1.00 54.23 H new ATOM 1232 N ALA A 81 7.386 4.429 -11.488 1.00 74.33 N ATOM 1233 CA ALA A 81 6.870 5.700 -11.979 1.00 42.21 C ATOM 1234 C ALA A 81 7.851 6.834 -11.702 1.00 53.23 C ATOM 1235 O ALA A 81 8.750 6.700 -10.874 1.00 25.33 O ATOM 1236 CB ALA A 81 5.519 6.001 -11.348 1.00 42.01 C ATOM 0 H ALA A 81 7.762 4.465 -10.540 1.00 74.33 H new ATOM 0 HA ALA A 81 6.743 5.620 -13.059 1.00 42.21 H new ATOM 0 HB1 ALA A 81 5.146 6.954 -11.724 1.00 42.01 H new ATOM 0 HB2 ALA A 81 4.814 5.209 -11.602 1.00 42.01 H new ATOM 0 HB3 ALA A 81 5.628 6.056 -10.265 1.00 42.01 H new ATOM 1242 N MET A 82 7.669 7.951 -12.400 1.00 60.31 N ATOM 1243 CA MET A 82 8.538 9.109 -12.227 1.00 23.40 C ATOM 1244 C MET A 82 7.717 10.376 -12.002 1.00 24.53 C ATOM 1245 O MET A 82 6.851 10.716 -12.806 1.00 64.41 O ATOM 1246 CB MET A 82 9.441 9.283 -13.450 1.00 31.43 C ATOM 1247 CG MET A 82 10.252 10.569 -13.429 1.00 21.20 C ATOM 1248 SD MET A 82 11.933 10.340 -14.038 1.00 24.10 S ATOM 1249 CE MET A 82 12.573 9.176 -12.837 1.00 62.11 C ATOM 0 H MET A 82 6.928 8.078 -13.090 1.00 60.31 H new ATOM 0 HA MET A 82 9.159 8.938 -11.347 1.00 23.40 H new ATOM 0 HB2 MET A 82 10.122 8.434 -13.512 1.00 31.43 H new ATOM 0 HB3 MET A 82 8.827 9.265 -14.350 1.00 31.43 H new ATOM 0 HG2 MET A 82 9.749 11.321 -14.037 1.00 21.20 H new ATOM 0 HG3 MET A 82 10.288 10.955 -12.410 1.00 21.20 H new ATOM 0 HE1 MET A 82 13.643 9.338 -12.708 1.00 62.11 H new ATOM 0 HE2 MET A 82 12.066 9.322 -11.883 1.00 62.11 H new ATOM 0 HE3 MET A 82 12.400 8.159 -13.188 1.00 62.11 H new ATOM 1259 N ASN A 83 7.997 11.069 -10.904 1.00 22.03 N ATOM 1260 CA ASN A 83 7.285 12.298 -10.573 1.00 73.11 C ATOM 1261 C ASN A 83 7.999 13.514 -11.155 1.00 35.11 C ATOM 1262 O ASN A 83 9.100 13.402 -11.692 1.00 43.22 O ATOM 1263 CB ASN A 83 7.156 12.445 -9.056 1.00 20.01 C ATOM 1264 CG ASN A 83 6.013 11.625 -8.490 1.00 31.23 C ATOM 1265 OD1 ASN A 83 4.880 12.099 -8.398 1.00 31.14 O ATOM 1266 ND2 ASN A 83 6.306 10.387 -8.106 1.00 43.54 N ATOM 0 H ASN A 83 8.712 10.801 -10.228 1.00 22.03 H new ATOM 0 HA ASN A 83 6.289 12.240 -11.011 1.00 73.11 H new ATOM 0 HB2 ASN A 83 8.089 12.137 -8.583 1.00 20.01 H new ATOM 0 HB3 ASN A 83 7.004 13.495 -8.807 1.00 20.01 H new ATOM 0 HD21 ASN A 83 5.578 9.788 -7.717 1.00 43.54 H new ATOM 0 HD22 ASN A 83 7.259 10.036 -8.201 1.00 43.54 H new ATOM 1273 N ARG A 84 7.363 14.676 -11.044 1.00 72.33 N ATOM 1274 CA ARG A 84 7.936 15.913 -11.559 1.00 2.54 C ATOM 1275 C ARG A 84 9.123 16.358 -10.709 1.00 54.14 C ATOM 1276 O ARG A 84 9.946 17.160 -11.145 1.00 42.45 O ATOM 1277 CB ARG A 84 6.877 17.016 -11.592 1.00 52.21 C ATOM 1278 CG ARG A 84 5.671 16.677 -12.454 1.00 13.42 C ATOM 1279 CD ARG A 84 5.876 17.115 -13.896 1.00 34.45 C ATOM 1280 NE ARG A 84 5.863 18.569 -14.033 1.00 0.15 N ATOM 1281 CZ ARG A 84 4.770 19.311 -13.902 1.00 73.42 C ATOM 1282 NH1 ARG A 84 3.605 18.738 -13.630 1.00 63.55 N ATOM 1283 NH2 ARG A 84 4.838 20.628 -14.041 1.00 1.14 N ATOM 0 H ARG A 84 6.450 14.786 -10.602 1.00 72.33 H new ATOM 0 HA ARG A 84 8.288 15.726 -12.574 1.00 2.54 H new ATOM 0 HB2 ARG A 84 6.541 17.216 -10.575 1.00 52.21 H new ATOM 0 HB3 ARG A 84 7.332 17.934 -11.964 1.00 52.21 H new ATOM 0 HG2 ARG A 84 5.489 15.603 -12.421 1.00 13.42 H new ATOM 0 HG3 ARG A 84 4.784 17.163 -12.048 1.00 13.42 H new ATOM 0 HD2 ARG A 84 6.826 16.725 -14.262 1.00 34.45 H new ATOM 0 HD3 ARG A 84 5.093 16.685 -14.520 1.00 34.45 H new ATOM 0 HE ARG A 84 6.743 19.041 -14.241 1.00 0.15 H new ATOM 0 HH11 ARG A 84 3.548 17.725 -13.521 1.00 63.55 H new ATOM 0 HH12 ARG A 84 2.766 19.310 -13.530 1.00 63.55 H new ATOM 0 HH21 ARG A 84 5.732 21.073 -14.249 1.00 1.14 H new ATOM 0 HH22 ARG A 84 3.997 21.196 -13.940 1.00 1.14 H new ATOM 1297 N ASN A 85 9.202 15.831 -9.491 1.00 60.34 N ATOM 1298 CA ASN A 85 10.287 16.174 -8.580 1.00 33.35 C ATOM 1299 C ASN A 85 11.591 15.509 -9.010 1.00 44.31 C ATOM 1300 O ASN A 85 12.677 15.943 -8.627 1.00 33.40 O ATOM 1301 CB ASN A 85 9.934 15.751 -7.152 1.00 52.21 C ATOM 1302 CG ASN A 85 10.621 16.610 -6.107 1.00 4.11 C ATOM 1303 OD1 ASN A 85 11.732 16.306 -5.672 1.00 11.51 O ATOM 1304 ND2 ASN A 85 9.963 17.689 -5.701 1.00 51.53 N ATOM 0 H ASN A 85 8.528 15.165 -9.113 1.00 60.34 H new ATOM 0 HA ASN A 85 10.424 17.255 -8.610 1.00 33.35 H new ATOM 0 HB2 ASN A 85 8.854 15.811 -7.015 1.00 52.21 H new ATOM 0 HB3 ASN A 85 10.217 14.709 -7.004 1.00 52.21 H new ATOM 0 HD21 ASN A 85 10.376 18.305 -5.001 1.00 51.53 H new ATOM 0 HD22 ASN A 85 9.044 17.902 -6.089 1.00 51.53 H new ATOM 1311 N GLY A 86 11.475 14.455 -9.811 1.00 61.02 N ATOM 1312 CA GLY A 86 12.651 13.747 -10.282 1.00 30.24 C ATOM 1313 C GLY A 86 12.807 12.386 -9.634 1.00 31.02 C ATOM 1314 O GLY A 86 13.570 11.546 -10.112 1.00 73.44 O ATOM 0 H GLY A 86 10.587 14.078 -10.143 1.00 61.02 H new ATOM 0 HA2 GLY A 86 12.589 13.626 -11.364 1.00 30.24 H new ATOM 0 HA3 GLY A 86 13.538 14.347 -10.078 1.00 30.24 H new ATOM 1318 N LYS A 87 12.084 12.166 -8.541 1.00 42.12 N ATOM 1319 CA LYS A 87 12.145 10.897 -7.825 1.00 24.31 C ATOM 1320 C LYS A 87 11.191 9.879 -8.441 1.00 61.24 C ATOM 1321 O LYS A 87 10.118 10.235 -8.928 1.00 1.23 O ATOM 1322 CB LYS A 87 11.802 11.104 -6.348 1.00 23.11 C ATOM 1323 CG LYS A 87 12.960 11.642 -5.525 1.00 13.43 C ATOM 1324 CD LYS A 87 12.952 13.162 -5.479 1.00 34.21 C ATOM 1325 CE LYS A 87 14.355 13.722 -5.310 1.00 32.50 C ATOM 1326 NZ LYS A 87 14.348 15.206 -5.176 1.00 23.53 N ATOM 0 H LYS A 87 11.448 12.851 -8.131 1.00 42.12 H new ATOM 0 HA LYS A 87 13.161 10.512 -7.905 1.00 24.31 H new ATOM 0 HB2 LYS A 87 10.962 11.794 -6.272 1.00 23.11 H new ATOM 0 HB3 LYS A 87 11.475 10.155 -5.923 1.00 23.11 H new ATOM 0 HG2 LYS A 87 12.902 11.246 -4.511 1.00 13.43 H new ATOM 0 HG3 LYS A 87 13.902 11.295 -5.950 1.00 13.43 H new ATOM 0 HD2 LYS A 87 12.511 13.552 -6.396 1.00 34.21 H new ATOM 0 HD3 LYS A 87 12.323 13.499 -4.655 1.00 34.21 H new ATOM 0 HE2 LYS A 87 14.819 13.280 -4.428 1.00 32.50 H new ATOM 0 HE3 LYS A 87 14.965 13.438 -6.167 1.00 32.50 H new ATOM 0 HZ1 LYS A 87 15.012 15.620 -5.861 1.00 23.53 H new ATOM 0 HZ2 LYS A 87 13.390 15.567 -5.361 1.00 23.53 H new ATOM 0 HZ3 LYS A 87 14.636 15.469 -4.212 1.00 23.53 H new ATOM 1340 N GLU A 88 11.588 8.611 -8.414 1.00 61.44 N ATOM 1341 CA GLU A 88 10.767 7.541 -8.970 1.00 54.32 C ATOM 1342 C GLU A 88 10.136 6.707 -7.859 1.00 63.30 C ATOM 1343 O GLU A 88 10.753 6.465 -6.822 1.00 23.45 O ATOM 1344 CB GLU A 88 11.605 6.645 -9.883 1.00 1.14 C ATOM 1345 CG GLU A 88 12.328 5.531 -9.145 1.00 64.52 C ATOM 1346 CD GLU A 88 13.247 6.051 -8.058 1.00 34.15 C ATOM 1347 OE1 GLU A 88 13.952 7.052 -8.304 1.00 55.43 O ATOM 1348 OE2 GLU A 88 13.262 5.457 -6.959 1.00 43.04 O ATOM 0 H GLU A 88 12.473 8.299 -8.013 1.00 61.44 H new ATOM 0 HA GLU A 88 9.969 7.998 -9.556 1.00 54.32 H new ATOM 0 HB2 GLU A 88 10.957 6.206 -10.642 1.00 1.14 H new ATOM 0 HB3 GLU A 88 12.338 7.258 -10.406 1.00 1.14 H new ATOM 0 HG2 GLU A 88 11.594 4.857 -8.703 1.00 64.52 H new ATOM 0 HG3 GLU A 88 12.909 4.946 -9.858 1.00 64.52 H new ATOM 1355 N THR A 89 8.901 6.269 -8.085 1.00 33.45 N ATOM 1356 CA THR A 89 8.185 5.463 -7.104 1.00 31.01 C ATOM 1357 C THR A 89 8.118 4.002 -7.535 1.00 41.52 C ATOM 1358 O THR A 89 7.749 3.695 -8.670 1.00 0.03 O ATOM 1359 CB THR A 89 6.754 5.987 -6.883 1.00 41.02 C ATOM 1360 OG1 THR A 89 6.751 7.419 -6.883 1.00 51.03 O ATOM 1361 CG2 THR A 89 6.186 5.474 -5.568 1.00 45.01 C ATOM 0 H THR A 89 8.376 6.459 -8.939 1.00 33.45 H new ATOM 0 HA THR A 89 8.740 5.538 -6.169 1.00 31.01 H new ATOM 0 HB THR A 89 6.128 5.622 -7.698 1.00 41.02 H new ATOM 0 HG1 THR A 89 6.440 7.745 -7.753 1.00 51.03 H new ATOM 0 HG21 THR A 89 5.175 5.858 -5.434 1.00 45.01 H new ATOM 0 HG22 THR A 89 6.162 4.384 -5.583 1.00 45.01 H new ATOM 0 HG23 THR A 89 6.814 5.812 -4.744 1.00 45.01 H new ATOM 1369 N LYS A 90 8.478 3.104 -6.625 1.00 74.25 N ATOM 1370 CA LYS A 90 8.456 1.674 -6.910 1.00 11.31 C ATOM 1371 C LYS A 90 7.300 0.992 -6.188 1.00 73.55 C ATOM 1372 O LYS A 90 6.934 1.378 -5.076 1.00 24.01 O ATOM 1373 CB LYS A 90 9.781 1.031 -6.495 1.00 34.10 C ATOM 1374 CG LYS A 90 11.002 1.842 -6.891 1.00 42.42 C ATOM 1375 CD LYS A 90 12.137 0.949 -7.362 1.00 61.40 C ATOM 1376 CE LYS A 90 12.534 1.261 -8.796 1.00 63.41 C ATOM 1377 NZ LYS A 90 13.385 0.187 -9.382 1.00 51.13 N ATOM 0 H LYS A 90 8.789 3.341 -5.683 1.00 74.25 H new ATOM 0 HA LYS A 90 8.316 1.545 -7.983 1.00 11.31 H new ATOM 0 HB2 LYS A 90 9.784 0.890 -5.414 1.00 34.10 H new ATOM 0 HB3 LYS A 90 9.851 0.041 -6.945 1.00 34.10 H new ATOM 0 HG2 LYS A 90 10.734 2.540 -7.684 1.00 42.42 H new ATOM 0 HG3 LYS A 90 11.335 2.438 -6.041 1.00 42.42 H new ATOM 0 HD2 LYS A 90 12.999 1.080 -6.708 1.00 61.40 H new ATOM 0 HD3 LYS A 90 11.835 -0.096 -7.286 1.00 61.40 H new ATOM 0 HE2 LYS A 90 11.637 1.385 -9.402 1.00 63.41 H new ATOM 0 HE3 LYS A 90 13.073 2.208 -8.826 1.00 63.41 H new ATOM 0 HZ1 LYS A 90 13.635 0.437 -10.360 1.00 51.13 H new ATOM 0 HZ2 LYS A 90 14.253 0.086 -8.818 1.00 51.13 H new ATOM 0 HZ3 LYS A 90 12.862 -0.712 -9.377 1.00 51.13 H new ATOM 1391 N SER A 91 6.727 -0.024 -6.824 1.00 71.25 N ATOM 1392 CA SER A 91 5.609 -0.759 -6.242 1.00 64.13 C ATOM 1393 C SER A 91 5.677 -2.236 -6.616 1.00 63.22 C ATOM 1394 O SER A 91 5.732 -2.589 -7.793 1.00 52.44 O ATOM 1395 CB SER A 91 4.280 -0.163 -6.713 1.00 21.24 C ATOM 1396 OG SER A 91 4.472 1.112 -7.300 1.00 64.42 O ATOM 0 H SER A 91 7.018 -0.358 -7.743 1.00 71.25 H new ATOM 0 HA SER A 91 5.674 -0.673 -5.157 1.00 64.13 H new ATOM 0 HB2 SER A 91 3.813 -0.833 -7.435 1.00 21.24 H new ATOM 0 HB3 SER A 91 3.596 -0.079 -5.868 1.00 21.24 H new ATOM 0 HG SER A 91 4.021 1.143 -8.170 1.00 64.42 H new ATOM 1402 N ASN A 92 5.673 -3.097 -5.604 1.00 13.12 N ATOM 1403 CA ASN A 92 5.735 -4.537 -5.824 1.00 73.24 C ATOM 1404 C ASN A 92 4.522 -5.234 -5.214 1.00 40.12 C ATOM 1405 O ASN A 92 4.196 -5.027 -4.045 1.00 65.21 O ATOM 1406 CB ASN A 92 7.021 -5.111 -5.224 1.00 50.14 C ATOM 1407 CG ASN A 92 6.804 -6.469 -4.585 1.00 72.31 C ATOM 1408 OD1 ASN A 92 6.355 -7.433 -5.380 1.00 31.41 O flip ATOM 1409 ND2 ASN A 92 7.038 -6.649 -3.390 1.00 42.20 N flip ATOM 0 H ASN A 92 5.627 -2.822 -4.623 1.00 13.12 H new ATOM 0 HA ASN A 92 5.732 -4.715 -6.899 1.00 73.24 H new ATOM 0 HB2 ASN A 92 7.777 -5.196 -6.005 1.00 50.14 H new ATOM 0 HB3 ASN A 92 7.411 -4.419 -4.477 1.00 50.14 H new ATOM 0 HD21 ASN A 92 7.382 -5.879 -2.816 1.00 42.20 H new ATOM 0 HD22 ASN A 92 6.888 -7.568 -2.974 1.00 42.20 H new ATOM 1416 N TYR A 93 3.856 -6.059 -6.016 1.00 31.03 N ATOM 1417 CA TYR A 93 2.678 -6.784 -5.556 1.00 50.24 C ATOM 1418 C TYR A 93 2.776 -8.265 -5.913 1.00 2.41 C ATOM 1419 O TYR A 93 2.914 -8.625 -7.082 1.00 54.53 O ATOM 1420 CB TYR A 93 1.412 -6.183 -6.170 1.00 73.35 C ATOM 1421 CG TYR A 93 1.429 -4.673 -6.236 1.00 13.30 C ATOM 1422 CD1 TYR A 93 1.546 -3.909 -5.081 1.00 55.40 C ATOM 1423 CD2 TYR A 93 1.328 -4.010 -7.452 1.00 51.33 C ATOM 1424 CE1 TYR A 93 1.562 -2.528 -5.137 1.00 33.41 C ATOM 1425 CE2 TYR A 93 1.344 -2.630 -7.517 1.00 55.50 C ATOM 1426 CZ TYR A 93 1.461 -1.894 -6.357 1.00 14.23 C ATOM 1427 OH TYR A 93 1.475 -0.519 -6.417 1.00 4.20 O ATOM 0 H TYR A 93 4.112 -6.242 -6.986 1.00 31.03 H new ATOM 0 HA TYR A 93 2.627 -6.693 -4.471 1.00 50.24 H new ATOM 0 HB2 TYR A 93 1.282 -6.581 -7.177 1.00 73.35 H new ATOM 0 HB3 TYR A 93 0.548 -6.503 -5.587 1.00 73.35 H new ATOM 0 HD1 TYR A 93 1.626 -4.403 -4.124 1.00 55.40 H new ATOM 0 HD2 TYR A 93 1.235 -4.583 -8.363 1.00 51.33 H new ATOM 0 HE1 TYR A 93 1.653 -1.949 -4.230 1.00 33.41 H new ATOM 0 HE2 TYR A 93 1.265 -2.130 -8.471 1.00 55.50 H new ATOM 0 HH TYR A 93 1.071 -0.224 -7.260 1.00 4.20 H new ATOM 1437 N ARG A 94 2.704 -9.117 -4.897 1.00 34.03 N ATOM 1438 CA ARG A 94 2.786 -10.558 -5.100 1.00 70.13 C ATOM 1439 C ARG A 94 1.425 -11.131 -5.488 1.00 13.51 C ATOM 1440 O ARG A 94 0.436 -10.946 -4.777 1.00 22.13 O ATOM 1441 CB ARG A 94 3.297 -11.246 -3.834 1.00 22.32 C ATOM 1442 CG ARG A 94 2.529 -10.862 -2.579 1.00 24.34 C ATOM 1443 CD ARG A 94 3.462 -10.359 -1.488 1.00 42.23 C ATOM 1444 NE ARG A 94 4.341 -11.414 -0.989 1.00 40.34 N ATOM 1445 CZ ARG A 94 3.925 -12.415 -0.222 1.00 45.33 C ATOM 1446 NH1 ARG A 94 2.650 -12.499 0.133 1.00 5.43 N ATOM 1447 NH2 ARG A 94 4.786 -13.337 0.191 1.00 15.05 N ATOM 0 H ARG A 94 2.589 -8.834 -3.924 1.00 34.03 H new ATOM 0 HA ARG A 94 3.486 -10.744 -5.914 1.00 70.13 H new ATOM 0 HB2 ARG A 94 3.239 -12.326 -3.969 1.00 22.32 H new ATOM 0 HB3 ARG A 94 4.349 -10.998 -3.696 1.00 22.32 H new ATOM 0 HG2 ARG A 94 1.799 -10.089 -2.820 1.00 24.34 H new ATOM 0 HG3 ARG A 94 1.972 -11.725 -2.214 1.00 24.34 H new ATOM 0 HD2 ARG A 94 4.065 -9.539 -1.877 1.00 42.23 H new ATOM 0 HD3 ARG A 94 2.872 -9.958 -0.663 1.00 42.23 H new ATOM 0 HE ARG A 94 5.328 -11.380 -1.244 1.00 40.34 H new ATOM 0 HH11 ARG A 94 1.985 -11.793 -0.183 1.00 5.43 H new ATOM 0 HH12 ARG A 94 2.334 -13.269 0.722 1.00 5.43 H new ATOM 0 HH21 ARG A 94 5.767 -13.277 -0.081 1.00 15.05 H new ATOM 0 HH22 ARG A 94 4.466 -14.106 0.780 1.00 15.05 H new ATOM 1461 N VAL A 95 1.381 -11.824 -6.622 1.00 30.45 N ATOM 1462 CA VAL A 95 0.143 -12.423 -7.104 1.00 51.02 C ATOM 1463 C VAL A 95 0.268 -13.940 -7.202 1.00 33.25 C ATOM 1464 O VAL A 95 1.300 -14.462 -7.623 1.00 63.13 O ATOM 1465 CB VAL A 95 -0.252 -11.862 -8.482 1.00 43.43 C ATOM 1466 CG1 VAL A 95 -1.446 -12.618 -9.045 1.00 74.42 C ATOM 1467 CG2 VAL A 95 -0.550 -10.373 -8.386 1.00 23.42 C ATOM 0 H VAL A 95 2.189 -11.984 -7.224 1.00 30.45 H new ATOM 0 HA VAL A 95 -0.633 -12.171 -6.381 1.00 51.02 H new ATOM 0 HB VAL A 95 0.587 -11.998 -9.164 1.00 43.43 H new ATOM 0 HG11 VAL A 95 -1.710 -12.207 -10.019 1.00 74.42 H new ATOM 0 HG12 VAL A 95 -1.191 -13.672 -9.153 1.00 74.42 H new ATOM 0 HG13 VAL A 95 -2.293 -12.517 -8.367 1.00 74.42 H new ATOM 0 HG21 VAL A 95 -0.827 -9.993 -9.369 1.00 23.42 H new ATOM 0 HG22 VAL A 95 -1.372 -10.211 -7.689 1.00 23.42 H new ATOM 0 HG23 VAL A 95 0.336 -9.847 -8.031 1.00 23.42 H new ATOM 1477 N ARG A 96 -0.790 -14.642 -6.808 1.00 54.33 N ATOM 1478 CA ARG A 96 -0.800 -16.099 -6.851 1.00 12.12 C ATOM 1479 C ARG A 96 -2.061 -16.615 -7.537 1.00 1.42 C ATOM 1480 O ARG A 96 -3.174 -16.220 -7.192 1.00 14.12 O ATOM 1481 CB ARG A 96 -0.706 -16.672 -5.435 1.00 44.02 C ATOM 1482 CG ARG A 96 0.623 -17.347 -5.139 1.00 11.12 C ATOM 1483 CD ARG A 96 1.771 -16.350 -5.158 1.00 25.13 C ATOM 1484 NE ARG A 96 2.448 -16.270 -3.867 1.00 25.02 N ATOM 1485 CZ ARG A 96 3.294 -17.193 -3.422 1.00 44.55 C ATOM 1486 NH1 ARG A 96 3.565 -18.260 -4.161 1.00 65.21 N ATOM 1487 NH2 ARG A 96 3.871 -17.049 -2.236 1.00 61.32 N ATOM 0 H ARG A 96 -1.651 -14.225 -6.455 1.00 54.33 H new ATOM 0 HA ARG A 96 0.065 -16.426 -7.427 1.00 12.12 H new ATOM 0 HB2 ARG A 96 -0.864 -15.868 -4.716 1.00 44.02 H new ATOM 0 HB3 ARG A 96 -1.511 -17.393 -5.290 1.00 44.02 H new ATOM 0 HG2 ARG A 96 0.577 -17.832 -4.164 1.00 11.12 H new ATOM 0 HG3 ARG A 96 0.807 -18.129 -5.875 1.00 11.12 H new ATOM 0 HD2 ARG A 96 2.489 -16.638 -5.926 1.00 25.13 H new ATOM 0 HD3 ARG A 96 1.391 -15.365 -5.430 1.00 25.13 H new ATOM 0 HE ARG A 96 2.261 -15.461 -3.274 1.00 25.02 H new ATOM 0 HH11 ARG A 96 3.124 -18.374 -5.074 1.00 65.21 H new ATOM 0 HH12 ARG A 96 4.215 -18.967 -3.817 1.00 65.21 H new ATOM 0 HH21 ARG A 96 3.665 -16.229 -1.665 1.00 61.32 H new ATOM 0 HH22 ARG A 96 4.520 -17.758 -1.895 1.00 61.32 H new ATOM 1501 N VAL A 97 -1.878 -17.499 -8.512 1.00 63.42 N ATOM 1502 CA VAL A 97 -3.000 -18.070 -9.247 1.00 73.33 C ATOM 1503 C VAL A 97 -3.529 -19.323 -8.558 1.00 31.54 C ATOM 1504 O VAL A 97 -3.069 -19.689 -7.475 1.00 21.20 O ATOM 1505 CB VAL A 97 -2.603 -18.423 -10.693 1.00 25.52 C ATOM 1506 CG1 VAL A 97 -1.938 -17.233 -11.370 1.00 74.44 C ATOM 1507 CG2 VAL A 97 -1.687 -19.638 -10.712 1.00 73.15 C ATOM 0 H VAL A 97 -0.963 -17.836 -8.811 1.00 63.42 H new ATOM 0 HA VAL A 97 -3.783 -17.312 -9.267 1.00 73.33 H new ATOM 0 HB VAL A 97 -3.507 -18.669 -11.250 1.00 25.52 H new ATOM 0 HG11 VAL A 97 -1.664 -17.501 -12.391 1.00 74.44 H new ATOM 0 HG12 VAL A 97 -2.631 -16.391 -11.389 1.00 74.44 H new ATOM 0 HG13 VAL A 97 -1.042 -16.953 -10.816 1.00 74.44 H new ATOM 0 HG21 VAL A 97 -1.416 -19.874 -11.741 1.00 73.15 H new ATOM 0 HG22 VAL A 97 -0.785 -19.422 -10.140 1.00 73.15 H new ATOM 0 HG23 VAL A 97 -2.203 -20.490 -10.269 1.00 73.15 H new ATOM 1517 N TYR A 98 -4.497 -19.977 -9.190 1.00 3.54 N ATOM 1518 CA TYR A 98 -5.090 -21.187 -8.636 1.00 61.24 C ATOM 1519 C TYR A 98 -4.048 -22.293 -8.504 1.00 4.00 C ATOM 1520 O TYR A 98 -3.512 -22.529 -7.421 1.00 55.13 O ATOM 1521 CB TYR A 98 -6.246 -21.663 -9.518 1.00 70.14 C ATOM 1522 CG TYR A 98 -6.788 -23.019 -9.126 1.00 71.04 C ATOM 1523 CD1 TYR A 98 -7.387 -23.218 -7.888 1.00 70.41 C ATOM 1524 CD2 TYR A 98 -6.703 -24.101 -9.994 1.00 13.12 C ATOM 1525 CE1 TYR A 98 -7.884 -24.456 -7.526 1.00 1.54 C ATOM 1526 CE2 TYR A 98 -7.197 -25.342 -9.640 1.00 40.24 C ATOM 1527 CZ TYR A 98 -7.787 -25.514 -8.405 1.00 22.11 C ATOM 1528 OH TYR A 98 -8.280 -26.747 -8.048 1.00 72.22 O ATOM 0 H TYR A 98 -4.888 -19.689 -10.087 1.00 3.54 H new ATOM 0 HA TYR A 98 -5.472 -20.952 -7.643 1.00 61.24 H new ATOM 0 HB2 TYR A 98 -7.053 -20.931 -9.471 1.00 70.14 H new ATOM 0 HB3 TYR A 98 -5.910 -21.701 -10.554 1.00 70.14 H new ATOM 0 HD1 TYR A 98 -7.466 -22.392 -7.197 1.00 70.41 H new ATOM 0 HD2 TYR A 98 -6.243 -23.970 -10.962 1.00 13.12 H new ATOM 0 HE1 TYR A 98 -8.346 -24.594 -6.560 1.00 1.54 H new ATOM 0 HE2 TYR A 98 -7.122 -26.173 -10.326 1.00 40.24 H new ATOM 0 HH TYR A 98 -8.134 -27.382 -8.780 1.00 72.22 H new ATOM 1538 N GLN A 99 -3.766 -22.968 -9.614 1.00 21.22 N ATOM 1539 CA GLN A 99 -2.788 -24.049 -9.623 1.00 35.12 C ATOM 1540 C GLN A 99 -1.385 -23.516 -9.348 1.00 61.24 C ATOM 1541 O GLN A 99 -1.023 -22.433 -9.805 1.00 3.51 O ATOM 1542 CB GLN A 99 -2.815 -24.779 -10.967 1.00 10.14 C ATOM 1543 CG GLN A 99 -1.901 -25.992 -11.018 1.00 64.21 C ATOM 1544 CD GLN A 99 -2.532 -27.225 -10.401 1.00 11.23 C ATOM 1545 OE1 GLN A 99 -2.594 -27.258 -9.075 1.00 73.03 O flip ATOM 1546 NE2 GLN A 99 -2.957 -28.139 -11.108 1.00 53.52 N flip ATOM 0 H GLN A 99 -4.201 -22.785 -10.518 1.00 21.22 H new ATOM 0 HA GLN A 99 -3.052 -24.751 -8.832 1.00 35.12 H new ATOM 0 HB2 GLN A 99 -3.836 -25.095 -11.179 1.00 10.14 H new ATOM 0 HB3 GLN A 99 -2.526 -24.083 -11.755 1.00 10.14 H new ATOM 0 HG2 GLN A 99 -1.640 -26.202 -12.055 1.00 64.21 H new ATOM 0 HG3 GLN A 99 -0.972 -25.764 -10.496 1.00 64.21 H new ATOM 0 HE21 GLN A 99 -2.889 -28.072 -12.124 1.00 53.52 H new ATOM 0 HE22 GLN A 99 -3.377 -28.963 -10.678 1.00 53.52 H new ATOM 1555 N ILE A 100 -0.601 -24.285 -8.599 1.00 71.25 N ATOM 1556 CA ILE A 100 0.760 -23.891 -8.265 1.00 2.05 C ATOM 1557 C ILE A 100 1.769 -24.927 -8.753 1.00 50.23 C ATOM 1558 O ILE A 100 1.434 -26.084 -9.005 1.00 14.02 O ATOM 1559 CB ILE A 100 0.935 -23.698 -6.747 1.00 53.31 C ATOM 1560 CG1 ILE A 100 -0.172 -24.432 -5.987 1.00 72.21 C ATOM 1561 CG2 ILE A 100 0.932 -22.217 -6.398 1.00 51.44 C ATOM 1562 CD1 ILE A 100 -0.026 -24.355 -4.483 1.00 63.44 C ATOM 0 H ILE A 100 -0.887 -25.185 -8.212 1.00 71.25 H new ATOM 0 HA ILE A 100 0.945 -22.942 -8.768 1.00 2.05 H new ATOM 0 HB ILE A 100 1.895 -24.120 -6.450 1.00 53.31 H new ATOM 0 HG12 ILE A 100 -1.137 -24.013 -6.272 1.00 72.21 H new ATOM 0 HG13 ILE A 100 -0.177 -25.479 -6.290 1.00 72.21 H new ATOM 0 HG21 ILE A 100 1.057 -22.097 -5.322 1.00 51.44 H new ATOM 0 HG22 ILE A 100 1.752 -21.719 -6.916 1.00 51.44 H new ATOM 0 HG23 ILE A 100 -0.015 -21.773 -6.706 1.00 51.44 H new ATOM 0 HD11 ILE A 100 -0.845 -24.897 -4.010 1.00 63.44 H new ATOM 0 HD12 ILE A 100 0.923 -24.801 -4.186 1.00 63.44 H new ATOM 0 HD13 ILE A 100 -0.051 -23.312 -4.168 1.00 63.44 H new ATOM 1574 N PRO A 101 3.034 -24.503 -8.888 1.00 11.43 N ATOM 1575 CA PRO A 101 4.118 -25.379 -9.345 1.00 55.31 C ATOM 1576 C PRO A 101 4.480 -26.439 -8.310 1.00 61.13 C ATOM 1577 O PRO A 101 4.144 -26.313 -7.134 1.00 32.43 O ATOM 1578 CB PRO A 101 5.288 -24.415 -9.555 1.00 14.22 C ATOM 1579 CG PRO A 101 5.002 -23.268 -8.648 1.00 33.45 C ATOM 1580 CD PRO A 101 3.505 -23.136 -8.606 1.00 72.54 C ATOM 0 HA PRO A 101 3.842 -25.937 -10.240 1.00 55.31 H new ATOM 0 HB2 PRO A 101 6.239 -24.887 -9.308 1.00 14.22 H new ATOM 0 HB3 PRO A 101 5.353 -24.092 -10.594 1.00 14.22 H new ATOM 0 HG2 PRO A 101 5.406 -23.448 -7.652 1.00 33.45 H new ATOM 0 HG3 PRO A 101 5.464 -22.353 -9.018 1.00 33.45 H new ATOM 0 HD2 PRO A 101 3.160 -22.785 -7.634 1.00 72.54 H new ATOM 0 HD3 PRO A 101 3.143 -22.425 -9.349 1.00 72.54 H new