USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 801 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 Single : A 9 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.013) USER MOD Single : A 13 TYR OH : rot 30:sc=-0.00241 USER MOD Single : A 15 SER OG : rot -110:sc= -1.21 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.262 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0845 USER MOD Single : A 33 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 41 ASN : amide:sc= -0.297 K(o=-0.3,f=-1.1) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -138:sc= -0.077 (180deg=-2.31!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0331 USER MOD Single : A 67 LYS NZ :NH3+ 163:sc= -0.0961 (180deg=-0.509) USER MOD Single : A 93 THR OG1 : rot -31:sc= 0.492 USER MOD Single : A 94 SER OG : rot -160:sc= -3.27! USER MOD Single : A 99 HIS : no HD1:sc= -0.0747 X(o=-0.075,f=0) USER MOD Single : A 106 HIS : no HE2:sc= 0.23 K(o=0.23,f=-1.7) USER MOD Single : A 109 LYS NZ :NH3+ -164:sc= -0.0225 (180deg=-0.306) USER MOD Single : A 112 ASN : amide:sc= -0.108 K(o=-0.11,f=-2.4!) USER MOD Single : A 124 ASN : amide:sc= -0.0135 K(o=-0.014,f=-1.8) USER MOD Single : A 125 GLN : amide:sc= -2.73 X(o=-2.7,f=-2.7) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -0.493 X(o=-0.49,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 94 N HIS A 9 -14.153 2.722 -2.554 1.00 22.41 N ATOM 95 CA HIS A 9 -15.248 2.824 -3.511 1.00 40.14 C ATOM 96 C HIS A 9 -16.490 3.421 -2.854 1.00 0.44 C ATOM 97 O HIS A 9 -16.628 3.397 -1.631 1.00 31.34 O ATOM 98 CB HIS A 9 -15.577 1.448 -4.092 1.00 13.31 C ATOM 99 CG HIS A 9 -14.926 1.188 -5.416 1.00 14.24 C ATOM 100 ND1 HIS A 9 -15.415 0.277 -6.329 1.00 60.14 N ATOM 101 CD2 HIS A 9 -13.818 1.725 -5.980 1.00 65.44 C ATOM 102 CE1 HIS A 9 -14.636 0.264 -7.396 1.00 42.51 C ATOM 103 NE2 HIS A 9 -13.660 1.135 -7.210 1.00 14.34 N ATOM 0 HA HIS A 9 -14.931 3.485 -4.318 1.00 40.14 H new ATOM 0 HB2 HIS A 9 -15.264 0.680 -3.385 1.00 13.31 H new ATOM 0 HB3 HIS A 9 -16.658 1.358 -4.203 1.00 13.31 H new ATOM 0 HD2 HIS A 9 -13.178 2.477 -5.544 1.00 65.44 H new ATOM 0 HE1 HIS A 9 -14.774 -0.353 -8.271 1.00 42.51 H new ATOM 0 HE2 HIS A 9 -12.911 1.336 -7.872 1.00 14.34 H new ATOM 111 N ILE A 10 -17.388 3.955 -3.675 1.00 62.41 N ATOM 112 CA ILE A 10 -18.618 4.558 -3.173 1.00 5.23 C ATOM 113 C ILE A 10 -19.843 3.938 -3.836 1.00 41.15 C ATOM 114 O ILE A 10 -19.997 3.998 -5.055 1.00 13.04 O ATOM 115 CB ILE A 10 -18.635 6.079 -3.407 1.00 51.44 C ATOM 116 CG1 ILE A 10 -17.457 6.741 -2.689 1.00 72.52 C ATOM 117 CG2 ILE A 10 -19.952 6.673 -2.932 1.00 54.40 C ATOM 118 CD1 ILE A 10 -17.523 6.621 -1.183 1.00 33.02 C ATOM 0 H ILE A 10 -17.288 3.983 -4.690 1.00 62.41 H new ATOM 0 HA ILE A 10 -18.651 4.364 -2.101 1.00 5.23 H new ATOM 0 HB ILE A 10 -18.538 6.268 -4.476 1.00 51.44 H new ATOM 0 HG12 ILE A 10 -16.528 6.291 -3.041 1.00 72.52 H new ATOM 0 HG13 ILE A 10 -17.423 7.796 -2.960 1.00 72.52 H new ATOM 0 HG21 ILE A 10 -19.949 7.749 -3.104 1.00 54.40 H new ATOM 0 HG22 ILE A 10 -20.776 6.220 -3.484 1.00 54.40 H new ATOM 0 HG23 ILE A 10 -20.077 6.476 -1.867 1.00 54.40 H new ATOM 0 HD11 ILE A 10 -16.657 7.112 -0.741 1.00 33.02 H new ATOM 0 HD12 ILE A 10 -18.434 7.096 -0.820 1.00 33.02 H new ATOM 0 HD13 ILE A 10 -17.526 5.568 -0.902 1.00 33.02 H new ATOM 130 N GLU A 11 -20.713 3.346 -3.024 1.00 14.33 N ATOM 131 CA GLU A 11 -21.926 2.717 -3.533 1.00 21.25 C ATOM 132 C GLU A 11 -23.043 3.743 -3.697 1.00 42.40 C ATOM 133 O GLU A 11 -23.014 4.810 -3.084 1.00 51.11 O ATOM 134 CB GLU A 11 -22.380 1.598 -2.593 1.00 50.43 C ATOM 135 CG GLU A 11 -22.060 0.205 -3.106 1.00 44.11 C ATOM 136 CD GLU A 11 -23.035 -0.265 -4.167 1.00 11.42 C ATOM 137 OE1 GLU A 11 -23.931 0.523 -4.539 1.00 55.02 O ATOM 138 OE2 GLU A 11 -22.904 -1.419 -4.626 1.00 31.51 O1- ATOM 0 H GLU A 11 -20.601 3.289 -2.012 1.00 14.33 H new ATOM 0 HA GLU A 11 -21.701 2.291 -4.511 1.00 21.25 H new ATOM 0 HB2 GLU A 11 -21.905 1.736 -1.622 1.00 50.43 H new ATOM 0 HB3 GLU A 11 -23.456 1.680 -2.437 1.00 50.43 H new ATOM 0 HG2 GLU A 11 -21.050 0.196 -3.517 1.00 44.11 H new ATOM 0 HG3 GLU A 11 -22.071 -0.497 -2.272 1.00 44.11 H new ATOM 145 N GLU A 12 -24.027 3.411 -4.527 1.00 22.22 N ATOM 146 CA GLU A 12 -25.153 4.304 -4.771 1.00 35.34 C ATOM 147 C GLU A 12 -26.452 3.516 -4.911 1.00 30.44 C ATOM 148 O GLU A 12 -26.643 2.778 -5.878 1.00 41.32 O ATOM 149 CB GLU A 12 -24.909 5.134 -6.034 1.00 64.20 C ATOM 150 CG GLU A 12 -23.594 5.894 -6.018 1.00 75.35 C ATOM 151 CD GLU A 12 -23.527 6.967 -7.088 1.00 25.02 C ATOM 152 OE1 GLU A 12 -24.425 6.995 -7.957 1.00 51.50 O ATOM 153 OE2 GLU A 12 -22.578 7.778 -7.059 1.00 22.11 O1- ATOM 0 H GLU A 12 -24.067 2.531 -5.041 1.00 22.22 H new ATOM 0 HA GLU A 12 -25.245 4.974 -3.916 1.00 35.34 H new ATOM 0 HB2 GLU A 12 -24.927 4.474 -6.901 1.00 64.20 H new ATOM 0 HB3 GLU A 12 -25.727 5.843 -6.156 1.00 64.20 H new ATOM 0 HG2 GLU A 12 -23.456 6.353 -5.039 1.00 75.35 H new ATOM 0 HG3 GLU A 12 -22.772 5.193 -6.160 1.00 75.35 H new ATOM 160 N TYR A 13 -27.342 3.679 -3.937 1.00 22.50 N ATOM 161 CA TYR A 13 -28.622 2.980 -3.948 1.00 61.54 C ATOM 162 C TYR A 13 -29.776 3.962 -4.139 1.00 2.15 C ATOM 163 O TYR A 13 -29.724 5.096 -3.665 1.00 12.31 O ATOM 164 CB TYR A 13 -28.812 2.199 -2.647 1.00 3.33 C ATOM 165 CG TYR A 13 -28.009 0.920 -2.587 1.00 52.40 C ATOM 166 CD1 TYR A 13 -26.623 0.950 -2.497 1.00 2.40 C ATOM 167 CD2 TYR A 13 -28.637 -0.319 -2.620 1.00 44.14 C ATOM 168 CE1 TYR A 13 -25.885 -0.217 -2.442 1.00 40.42 C ATOM 169 CE2 TYR A 13 -27.906 -1.491 -2.565 1.00 2.10 C ATOM 170 CZ TYR A 13 -26.531 -1.434 -2.476 1.00 52.02 C ATOM 171 OH TYR A 13 -25.801 -2.599 -2.421 1.00 41.41 O ATOM 0 H TYR A 13 -27.201 4.288 -3.131 1.00 22.50 H new ATOM 0 HA TYR A 13 -28.619 2.282 -4.785 1.00 61.54 H new ATOM 0 HB2 TYR A 13 -28.531 2.834 -1.807 1.00 3.33 H new ATOM 0 HB3 TYR A 13 -29.869 1.961 -2.527 1.00 3.33 H new ATOM 0 HD1 TYR A 13 -26.113 1.902 -2.470 1.00 2.40 H new ATOM 0 HD2 TYR A 13 -29.714 -0.367 -2.690 1.00 44.14 H new ATOM 0 HE1 TYR A 13 -24.808 -0.176 -2.373 1.00 40.42 H new ATOM 0 HE2 TYR A 13 -28.409 -2.446 -2.592 1.00 2.10 H new ATOM 0 HH TYR A 13 -24.981 -2.447 -1.907 1.00 41.41 H new ATOM 181 N GLU A 14 -30.815 3.514 -4.837 1.00 51.13 N ATOM 182 CA GLU A 14 -31.981 4.351 -5.091 1.00 44.05 C ATOM 183 C GLU A 14 -33.224 3.771 -4.421 1.00 34.43 C ATOM 184 O GLU A 14 -33.312 2.566 -4.190 1.00 43.23 O ATOM 185 CB GLU A 14 -32.218 4.492 -6.595 1.00 41.01 C ATOM 186 CG GLU A 14 -32.569 5.906 -7.027 1.00 63.43 C ATOM 187 CD GLU A 14 -32.404 6.119 -8.519 1.00 53.14 C ATOM 188 OE1 GLU A 14 -32.525 5.132 -9.276 1.00 2.11 O ATOM 189 OE2 GLU A 14 -32.154 7.271 -8.930 1.00 40.11 O1- ATOM 0 H GLU A 14 -30.873 2.577 -5.236 1.00 51.13 H new ATOM 0 HA GLU A 14 -31.787 5.337 -4.667 1.00 44.05 H new ATOM 0 HB2 GLU A 14 -31.323 4.171 -7.127 1.00 41.01 H new ATOM 0 HB3 GLU A 14 -33.023 3.820 -6.892 1.00 41.01 H new ATOM 0 HG2 GLU A 14 -33.599 6.123 -6.745 1.00 63.43 H new ATOM 0 HG3 GLU A 14 -31.936 6.613 -6.491 1.00 63.43 H new ATOM 196 N SER A 15 -34.182 4.639 -4.110 1.00 45.22 N ATOM 197 CA SER A 15 -35.417 4.215 -3.464 1.00 21.12 C ATOM 198 C SER A 15 -36.449 5.339 -3.473 1.00 40.40 C ATOM 199 O SER A 15 -36.271 6.364 -2.817 1.00 61.11 O ATOM 200 CB SER A 15 -35.140 3.774 -2.025 1.00 50.55 C ATOM 201 OG SER A 15 -35.927 2.650 -1.674 1.00 60.35 O ATOM 0 H SER A 15 -34.126 5.640 -4.296 1.00 45.22 H new ATOM 0 HA SER A 15 -35.819 3.371 -4.024 1.00 21.12 H new ATOM 0 HB2 SER A 15 -34.083 3.531 -1.913 1.00 50.55 H new ATOM 0 HB3 SER A 15 -35.352 4.597 -1.342 1.00 50.55 H new ATOM 0 HG SER A 15 -36.607 2.918 -1.021 1.00 60.35 H new ATOM 207 N GLU A 16 -37.528 5.136 -4.223 1.00 11.34 N ATOM 208 CA GLU A 16 -38.589 6.133 -4.319 1.00 40.23 C ATOM 209 C GLU A 16 -39.950 5.509 -4.028 1.00 3.23 C ATOM 210 O GLU A 16 -40.181 4.335 -4.319 1.00 64.35 O ATOM 211 CB GLU A 16 -38.594 6.770 -5.710 1.00 4.30 C ATOM 212 CG GLU A 16 -39.155 5.863 -6.793 1.00 43.20 C ATOM 213 CD GLU A 16 -38.463 6.056 -8.129 1.00 63.23 C ATOM 214 OE1 GLU A 16 -37.773 7.083 -8.298 1.00 62.45 O ATOM 215 OE2 GLU A 16 -38.613 5.179 -9.006 1.00 71.20 O1- ATOM 0 H GLU A 16 -37.691 4.292 -4.772 1.00 11.34 H new ATOM 0 HA GLU A 16 -38.397 6.905 -3.574 1.00 40.23 H new ATOM 0 HB2 GLU A 16 -39.180 7.689 -5.678 1.00 4.30 H new ATOM 0 HB3 GLU A 16 -37.575 7.051 -5.975 1.00 4.30 H new ATOM 0 HG2 GLU A 16 -39.052 4.824 -6.481 1.00 43.20 H new ATOM 0 HG3 GLU A 16 -40.221 6.057 -6.908 1.00 43.20 H new ATOM 222 N ALA A 17 -40.848 6.301 -3.452 1.00 45.31 N ATOM 223 CA ALA A 17 -42.187 5.828 -3.123 1.00 31.31 C ATOM 224 C ALA A 17 -43.122 5.950 -4.321 1.00 53.14 C ATOM 225 O ALA A 17 -43.593 7.040 -4.643 1.00 52.54 O ATOM 226 CB ALA A 17 -42.742 6.600 -1.935 1.00 33.40 C ATOM 0 H ALA A 17 -40.672 7.274 -3.203 1.00 45.31 H new ATOM 0 HA ALA A 17 -42.118 4.773 -2.856 1.00 31.31 H new ATOM 0 HB1 ALA A 17 -43.742 6.237 -1.700 1.00 33.40 H new ATOM 0 HB2 ALA A 17 -42.092 6.456 -1.072 1.00 33.40 H new ATOM 0 HB3 ALA A 17 -42.790 7.661 -2.181 1.00 33.40 H new ATOM 232 N ARG A 18 -43.386 4.825 -4.977 1.00 33.11 N ATOM 233 CA ARG A 18 -44.264 4.808 -6.141 1.00 74.51 C ATOM 234 C ARG A 18 -45.728 4.745 -5.716 1.00 1.22 C ATOM 235 O ARG A 18 -46.102 3.948 -4.855 1.00 0.43 O ATOM 236 CB ARG A 18 -43.931 3.615 -7.039 1.00 24.01 C ATOM 237 CG ARG A 18 -42.442 3.435 -7.287 1.00 71.34 C ATOM 238 CD ARG A 18 -42.165 2.213 -8.149 1.00 21.32 C ATOM 239 NE ARG A 18 -40.784 1.754 -8.019 1.00 34.15 N ATOM 240 CZ ARG A 18 -40.217 0.886 -8.849 1.00 3.12 C ATOM 241 NH1 ARG A 18 -40.908 0.387 -9.864 1.00 25.32 N1+ ATOM 242 NH2 ARG A 18 -38.956 0.518 -8.665 1.00 33.24 N ATOM 0 H ARG A 18 -43.005 3.914 -4.723 1.00 33.11 H new ATOM 0 HA ARG A 18 -44.105 5.731 -6.699 1.00 74.51 H new ATOM 0 HB2 ARG A 18 -44.327 2.707 -6.584 1.00 24.01 H new ATOM 0 HB3 ARG A 18 -44.438 3.739 -7.996 1.00 24.01 H new ATOM 0 HG2 ARG A 18 -42.043 4.324 -7.775 1.00 71.34 H new ATOM 0 HG3 ARG A 18 -41.923 3.335 -6.334 1.00 71.34 H new ATOM 0 HD2 ARG A 18 -42.843 1.408 -7.865 1.00 21.32 H new ATOM 0 HD3 ARG A 18 -42.371 2.451 -9.193 1.00 21.32 H new ATOM 0 HE ARG A 18 -40.225 2.120 -7.249 1.00 34.15 H new ATOM 0 HH11 ARG A 18 -41.877 0.670 -10.009 1.00 25.32 H new ATOM 0 HH12 ARG A 18 -40.470 -0.279 -10.500 1.00 25.32 H new ATOM 0 HH21 ARG A 18 -38.421 0.902 -7.886 1.00 33.24 H new ATOM 0 HH22 ARG A 18 -38.521 -0.149 -9.303 1.00 33.24 H new ATOM 256 N ASP A 19 -46.552 5.591 -6.325 1.00 32.20 N ATOM 257 CA ASP A 19 -47.975 5.633 -6.011 1.00 41.34 C ATOM 258 C ASP A 19 -48.669 4.352 -6.465 1.00 44.41 C ATOM 259 O ASP A 19 -48.422 3.854 -7.564 1.00 5.35 O ATOM 260 CB ASP A 19 -48.630 6.845 -6.674 1.00 22.55 C ATOM 261 CG ASP A 19 -48.498 6.823 -8.184 1.00 73.34 C ATOM 262 OD1 ASP A 19 -47.352 6.764 -8.678 1.00 3.01 O ATOM 263 OD2 ASP A 19 -49.539 6.861 -8.872 1.00 24.34 O1- ATOM 0 H ASP A 19 -46.258 6.257 -7.039 1.00 32.20 H new ATOM 0 HA ASP A 19 -48.081 5.719 -4.930 1.00 41.34 H new ATOM 0 HB2 ASP A 19 -49.686 6.876 -6.405 1.00 22.55 H new ATOM 0 HB3 ASP A 19 -48.176 7.757 -6.286 1.00 22.55 H new ATOM 268 N THR A 20 -49.540 3.823 -5.611 1.00 61.12 N ATOM 269 CA THR A 20 -50.268 2.599 -5.923 1.00 12.12 C ATOM 270 C THR A 20 -51.516 2.897 -6.747 1.00 54.32 C ATOM 271 O THR A 20 -51.935 4.048 -6.864 1.00 54.42 O ATOM 272 CB THR A 20 -50.679 1.848 -4.643 1.00 40.23 C ATOM 273 OG1 THR A 20 -51.338 0.623 -4.984 1.00 70.42 O ATOM 274 CG2 THR A 20 -51.600 2.704 -3.786 1.00 72.02 C ATOM 0 H THR A 20 -49.758 4.223 -4.698 1.00 61.12 H new ATOM 0 HA THR A 20 -49.594 1.969 -6.504 1.00 12.12 H new ATOM 0 HB THR A 20 -49.777 1.628 -4.071 1.00 40.23 H new ATOM 0 HG1 THR A 20 -51.595 0.151 -4.165 1.00 70.42 H new ATOM 0 HG21 THR A 20 -51.877 2.153 -2.887 1.00 72.02 H new ATOM 0 HG22 THR A 20 -51.085 3.622 -3.504 1.00 72.02 H new ATOM 0 HG23 THR A 20 -52.498 2.951 -4.352 1.00 72.02 H new ATOM 282 N LYS A 21 -52.105 1.851 -7.318 1.00 3.44 N ATOM 283 CA LYS A 21 -53.307 2.000 -8.130 1.00 22.44 C ATOM 284 C LYS A 21 -54.562 1.910 -7.267 1.00 14.33 C ATOM 285 O LYS A 21 -55.681 1.894 -7.781 1.00 74.45 O ATOM 286 CB LYS A 21 -53.346 0.926 -9.220 1.00 24.43 C ATOM 287 CG LYS A 21 -53.297 -0.492 -8.679 1.00 51.34 C ATOM 288 CD LYS A 21 -54.657 -1.165 -8.756 1.00 33.02 C ATOM 289 CE LYS A 21 -54.917 -2.039 -7.539 1.00 63.52 C ATOM 290 NZ LYS A 21 -54.494 -3.449 -7.767 1.00 64.01 N1+ ATOM 0 H LYS A 21 -51.769 0.892 -7.233 1.00 3.44 H new ATOM 0 HA LYS A 21 -53.280 2.984 -8.598 1.00 22.44 H new ATOM 0 HB2 LYS A 21 -54.255 1.050 -9.808 1.00 24.43 H new ATOM 0 HB3 LYS A 21 -52.505 1.077 -9.897 1.00 24.43 H new ATOM 0 HG2 LYS A 21 -52.570 -1.074 -9.245 1.00 51.34 H new ATOM 0 HG3 LYS A 21 -52.956 -0.476 -7.644 1.00 51.34 H new ATOM 0 HD2 LYS A 21 -55.436 -0.406 -8.833 1.00 33.02 H new ATOM 0 HD3 LYS A 21 -54.713 -1.772 -9.660 1.00 33.02 H new ATOM 0 HE2 LYS A 21 -54.382 -1.634 -6.680 1.00 63.52 H new ATOM 0 HE3 LYS A 21 -55.979 -2.014 -7.294 1.00 63.52 H new ATOM 0 HZ1 LYS A 21 -54.688 -4.012 -6.914 1.00 64.01 H new ATOM 0 HZ2 LYS A 21 -55.023 -3.844 -8.571 1.00 64.01 H new ATOM 0 HZ3 LYS A 21 -53.476 -3.476 -7.976 1.00 64.01 H new ATOM 304 N LEU A 22 -54.369 1.853 -5.954 1.00 11.11 N ATOM 305 CA LEU A 22 -55.485 1.766 -5.019 1.00 62.04 C ATOM 306 C LEU A 22 -55.791 3.130 -4.409 1.00 2.31 C ATOM 307 O LEU A 22 -56.751 3.283 -3.655 1.00 51.15 O ATOM 308 CB LEU A 22 -55.171 0.757 -3.913 1.00 32.22 C ATOM 309 CG LEU A 22 -56.378 0.079 -3.262 1.00 53.13 C ATOM 310 CD1 LEU A 22 -56.561 -1.326 -3.814 1.00 24.41 C ATOM 311 CD2 LEU A 22 -56.218 0.044 -1.750 1.00 34.53 C ATOM 0 H LEU A 22 -53.450 1.865 -5.513 1.00 11.11 H new ATOM 0 HA LEU A 22 -56.364 1.430 -5.569 1.00 62.04 H new ATOM 0 HB2 LEU A 22 -54.524 -0.017 -4.327 1.00 32.22 H new ATOM 0 HB3 LEU A 22 -54.602 1.266 -3.135 1.00 32.22 H new ATOM 0 HG LEU A 22 -57.270 0.659 -3.499 1.00 53.13 H new ATOM 0 HD11 LEU A 22 -57.424 -1.794 -3.340 1.00 24.41 H new ATOM 0 HD12 LEU A 22 -56.721 -1.276 -4.891 1.00 24.41 H new ATOM 0 HD13 LEU A 22 -55.669 -1.917 -3.607 1.00 24.41 H new ATOM 0 HD21 LEU A 22 -57.086 -0.442 -1.303 1.00 34.53 H new ATOM 0 HD22 LEU A 22 -55.317 -0.513 -1.492 1.00 34.53 H new ATOM 0 HD23 LEU A 22 -56.136 1.062 -1.369 1.00 34.53 H new ATOM 323 N GLY A 23 -54.968 4.120 -4.742 1.00 52.15 N ATOM 324 CA GLY A 23 -55.168 5.459 -4.219 1.00 43.34 C ATOM 325 C GLY A 23 -54.378 5.710 -2.950 1.00 14.33 C ATOM 326 O GLY A 23 -54.918 5.690 -1.844 1.00 42.31 O ATOM 0 H GLY A 23 -54.166 4.019 -5.365 1.00 52.15 H new ATOM 0 HA2 GLY A 23 -54.877 6.188 -4.975 1.00 43.34 H new ATOM 0 HA3 GLY A 23 -56.228 5.613 -4.020 1.00 43.34 H new ATOM 330 N PRO A 24 -53.068 5.953 -3.102 1.00 42.45 N ATOM 331 CA PRO A 24 -52.174 6.213 -1.971 1.00 55.11 C ATOM 332 C PRO A 24 -52.448 7.562 -1.314 1.00 31.25 C ATOM 333 O PRO A 24 -53.244 8.355 -1.814 1.00 23.44 O ATOM 334 CB PRO A 24 -50.783 6.200 -2.607 1.00 4.11 C ATOM 335 CG PRO A 24 -51.015 6.564 -4.033 1.00 61.03 C ATOM 336 CD PRO A 24 -52.359 5.992 -4.392 1.00 45.53 C ATOM 0 HA PRO A 24 -52.300 5.479 -1.175 1.00 55.11 H new ATOM 0 HB2 PRO A 24 -50.118 6.913 -2.120 1.00 4.11 H new ATOM 0 HB3 PRO A 24 -50.317 5.219 -2.520 1.00 4.11 H new ATOM 0 HG2 PRO A 24 -51.003 7.646 -4.167 1.00 61.03 H new ATOM 0 HG3 PRO A 24 -50.233 6.155 -4.673 1.00 61.03 H new ATOM 0 HD2 PRO A 24 -52.880 6.616 -5.118 1.00 45.53 H new ATOM 0 HD3 PRO A 24 -52.269 4.999 -4.831 1.00 45.53 H new ATOM 344 N GLU A 25 -51.781 7.814 -0.191 1.00 30.43 N ATOM 345 CA GLU A 25 -51.954 9.069 0.532 1.00 61.13 C ATOM 346 C GLU A 25 -50.617 9.579 1.062 1.00 2.52 C ATOM 347 O GLU A 25 -50.296 10.760 0.930 1.00 75.32 O ATOM 348 CB GLU A 25 -52.936 8.883 1.690 1.00 32.13 C ATOM 349 CG GLU A 25 -54.392 8.869 1.257 1.00 54.54 C ATOM 350 CD GLU A 25 -55.351 8.875 2.431 1.00 55.02 C ATOM 351 OE1 GLU A 25 -55.114 9.642 3.389 1.00 54.21 O ATOM 352 OE2 GLU A 25 -56.340 8.113 2.394 1.00 12.11 O1- ATOM 0 H GLU A 25 -51.118 7.168 0.237 1.00 30.43 H new ATOM 0 HA GLU A 25 -52.356 9.807 -0.162 1.00 61.13 H new ATOM 0 HB2 GLU A 25 -52.709 7.948 2.201 1.00 32.13 H new ATOM 0 HB3 GLU A 25 -52.788 9.685 2.413 1.00 32.13 H new ATOM 0 HG2 GLU A 25 -54.588 9.737 0.628 1.00 54.54 H new ATOM 0 HG3 GLU A 25 -54.577 7.985 0.646 1.00 54.54 H new ATOM 359 N GLU A 26 -49.842 8.681 1.662 1.00 43.40 N ATOM 360 CA GLU A 26 -48.541 9.041 2.213 1.00 42.11 C ATOM 361 C GLU A 26 -47.652 7.809 2.357 1.00 25.51 C ATOM 362 O GLU A 26 -48.141 6.682 2.435 1.00 40.12 O ATOM 363 CB GLU A 26 -48.709 9.723 3.572 1.00 74.23 C ATOM 364 CG GLU A 26 -49.206 8.791 4.665 1.00 70.14 C ATOM 365 CD GLU A 26 -50.063 9.502 5.694 1.00 31.34 C ATOM 366 OE1 GLU A 26 -50.799 10.436 5.309 1.00 24.24 O ATOM 367 OE2 GLU A 26 -50.000 9.126 6.882 1.00 61.41 O1- ATOM 0 H GLU A 26 -50.093 7.699 1.779 1.00 43.40 H new ATOM 0 HA GLU A 26 -48.062 9.735 1.523 1.00 42.11 H new ATOM 0 HB2 GLU A 26 -47.753 10.148 3.876 1.00 74.23 H new ATOM 0 HB3 GLU A 26 -49.408 10.553 3.468 1.00 74.23 H new ATOM 0 HG2 GLU A 26 -49.782 7.983 4.214 1.00 70.14 H new ATOM 0 HG3 GLU A 26 -48.351 8.333 5.163 1.00 70.14 H new ATOM 374 N ILE A 27 -46.342 8.033 2.390 1.00 34.23 N ATOM 375 CA ILE A 27 -45.384 6.943 2.525 1.00 51.54 C ATOM 376 C ILE A 27 -45.358 6.408 3.952 1.00 3.43 C ATOM 377 O ILE A 27 -45.536 7.157 4.913 1.00 75.14 O ATOM 378 CB ILE A 27 -43.964 7.390 2.130 1.00 31.11 C ATOM 379 CG1 ILE A 27 -43.065 6.170 1.914 1.00 64.55 C ATOM 380 CG2 ILE A 27 -43.380 8.303 3.197 1.00 22.12 C ATOM 381 CD1 ILE A 27 -41.650 6.527 1.513 1.00 33.44 C ATOM 0 H ILE A 27 -45.920 8.960 2.325 1.00 34.23 H new ATOM 0 HA ILE A 27 -45.708 6.152 1.849 1.00 51.54 H new ATOM 0 HB ILE A 27 -44.020 7.947 1.195 1.00 31.11 H new ATOM 0 HG12 ILE A 27 -43.037 5.582 2.831 1.00 64.55 H new ATOM 0 HG13 ILE A 27 -43.504 5.537 1.143 1.00 64.55 H new ATOM 0 HG21 ILE A 27 -42.376 8.610 2.903 1.00 22.12 H new ATOM 0 HG22 ILE A 27 -44.012 9.184 3.307 1.00 22.12 H new ATOM 0 HG23 ILE A 27 -43.333 7.769 4.146 1.00 22.12 H new ATOM 0 HD11 ILE A 27 -41.069 5.615 1.377 1.00 33.44 H new ATOM 0 HD12 ILE A 27 -41.667 7.089 0.579 1.00 33.44 H new ATOM 0 HD13 ILE A 27 -41.193 7.135 2.294 1.00 33.44 H new ATOM 393 N THR A 28 -45.133 5.104 4.086 1.00 23.51 N ATOM 394 CA THR A 28 -45.082 4.466 5.395 1.00 45.35 C ATOM 395 C THR A 28 -44.104 3.298 5.401 1.00 32.33 C ATOM 396 O THR A 28 -43.477 2.996 4.385 1.00 33.43 O ATOM 397 CB THR A 28 -46.472 3.961 5.827 1.00 53.03 C ATOM 398 OG1 THR A 28 -46.455 3.614 7.217 1.00 4.11 O ATOM 399 CG2 THR A 28 -46.888 2.752 5.003 1.00 21.31 C ATOM 0 H THR A 28 -44.983 4.469 3.302 1.00 23.51 H new ATOM 0 HA THR A 28 -44.742 5.222 6.102 1.00 45.35 H new ATOM 0 HB THR A 28 -47.194 4.760 5.660 1.00 53.03 H new ATOM 0 HG1 THR A 28 -47.342 3.295 7.486 1.00 4.11 H new ATOM 0 HG21 THR A 28 -47.872 2.413 5.326 1.00 21.31 H new ATOM 0 HG22 THR A 28 -46.926 3.026 3.949 1.00 21.31 H new ATOM 0 HG23 THR A 28 -46.164 1.949 5.143 1.00 21.31 H new ATOM 407 N ARG A 29 -43.978 2.643 6.550 1.00 14.42 N ATOM 408 CA ARG A 29 -43.075 1.506 6.687 1.00 74.04 C ATOM 409 C ARG A 29 -43.810 0.292 7.246 1.00 61.04 C ATOM 410 O ARG A 29 -44.414 0.356 8.316 1.00 23.41 O ATOM 411 CB ARG A 29 -41.901 1.868 7.599 1.00 13.44 C ATOM 412 CG ARG A 29 -42.199 3.014 8.551 1.00 21.03 C ATOM 413 CD ARG A 29 -43.201 2.604 9.620 1.00 15.43 C ATOM 414 NE ARG A 29 -42.808 1.368 10.292 1.00 11.32 N ATOM 415 CZ ARG A 29 -43.606 0.692 11.111 1.00 74.13 C ATOM 416 NH1 ARG A 29 -44.833 1.130 11.358 1.00 53.55 N1+ ATOM 417 NH2 ARG A 29 -43.177 -0.424 11.685 1.00 74.03 N ATOM 0 H ARG A 29 -44.490 2.880 7.400 1.00 14.42 H new ATOM 0 HA ARG A 29 -42.695 1.255 5.697 1.00 74.04 H new ATOM 0 HB2 ARG A 29 -41.618 0.989 8.179 1.00 13.44 H new ATOM 0 HB3 ARG A 29 -41.042 2.133 6.983 1.00 13.44 H new ATOM 0 HG2 ARG A 29 -41.275 3.345 9.025 1.00 21.03 H new ATOM 0 HG3 ARG A 29 -42.591 3.862 7.990 1.00 21.03 H new ATOM 0 HD2 ARG A 29 -43.294 3.403 10.356 1.00 15.43 H new ATOM 0 HD3 ARG A 29 -44.183 2.473 9.166 1.00 15.43 H new ATOM 0 HE ARG A 29 -41.870 1.004 10.123 1.00 11.32 H new ATOM 0 HH11 ARG A 29 -45.166 1.988 10.919 1.00 53.55 H new ATOM 0 HH12 ARG A 29 -45.444 0.609 11.987 1.00 53.55 H new ATOM 0 HH21 ARG A 29 -42.234 -0.764 11.498 1.00 74.03 H new ATOM 0 HH22 ARG A 29 -43.790 -0.942 12.314 1.00 74.03 H new ATOM 431 N ASP A 30 -43.756 -0.814 6.512 1.00 64.35 N ATOM 432 CA ASP A 30 -44.416 -2.044 6.933 1.00 0.23 C ATOM 433 C ASP A 30 -43.646 -3.268 6.446 1.00 34.02 C ATOM 434 O ASP A 30 -43.958 -3.833 5.397 1.00 14.01 O ATOM 435 CB ASP A 30 -45.851 -2.085 6.406 1.00 31.35 C ATOM 436 CG ASP A 30 -46.544 -3.398 6.714 1.00 31.41 C ATOM 437 OD1 ASP A 30 -47.164 -3.501 7.792 1.00 64.23 O ATOM 438 OD2 ASP A 30 -46.466 -4.322 5.877 1.00 50.33 O1- ATOM 0 H ASP A 30 -43.262 -0.884 5.622 1.00 64.35 H new ATOM 0 HA ASP A 30 -44.438 -2.061 8.023 1.00 0.23 H new ATOM 0 HB2 ASP A 30 -46.420 -1.266 6.845 1.00 31.35 H new ATOM 0 HB3 ASP A 30 -45.844 -1.926 5.328 1.00 31.35 H new ATOM 443 N ILE A 31 -42.640 -3.673 7.215 1.00 63.23 N ATOM 444 CA ILE A 31 -41.827 -4.830 6.860 1.00 25.31 C ATOM 445 C ILE A 31 -42.082 -5.993 7.812 1.00 64.24 C ATOM 446 O ILE A 31 -41.338 -6.222 8.767 1.00 20.01 O ATOM 447 CB ILE A 31 -40.326 -4.488 6.876 1.00 73.13 C ATOM 448 CG1 ILE A 31 -40.101 -3.056 6.388 1.00 24.14 C ATOM 449 CG2 ILE A 31 -39.548 -5.475 6.017 1.00 43.12 C ATOM 450 CD1 ILE A 31 -40.667 -2.792 5.010 1.00 71.21 C ATOM 0 H ILE A 31 -42.369 -3.218 8.087 1.00 63.23 H new ATOM 0 HA ILE A 31 -42.115 -5.121 5.850 1.00 25.31 H new ATOM 0 HB ILE A 31 -39.963 -4.563 7.901 1.00 73.13 H new ATOM 0 HG12 ILE A 31 -40.554 -2.363 7.097 1.00 24.14 H new ATOM 0 HG13 ILE A 31 -39.031 -2.848 6.379 1.00 24.14 H new ATOM 0 HG21 ILE A 31 -38.489 -5.220 6.039 1.00 43.12 H new ATOM 0 HG22 ILE A 31 -39.686 -6.484 6.406 1.00 43.12 H new ATOM 0 HG23 ILE A 31 -39.911 -5.429 4.990 1.00 43.12 H new ATOM 0 HD11 ILE A 31 -40.471 -1.757 4.728 1.00 71.21 H new ATOM 0 HD12 ILE A 31 -40.196 -3.460 4.289 1.00 71.21 H new ATOM 0 HD13 ILE A 31 -41.743 -2.968 5.019 1.00 71.21 H new ATOM 462 N PRO A 32 -43.159 -6.749 7.549 1.00 34.15 N ATOM 463 CA PRO A 32 -43.537 -7.903 8.369 1.00 63.53 C ATOM 464 C PRO A 32 -42.562 -9.066 8.217 1.00 74.13 C ATOM 465 O PRO A 32 -41.852 -9.166 7.217 1.00 52.54 O ATOM 466 CB PRO A 32 -44.916 -8.287 7.828 1.00 61.33 C ATOM 467 CG PRO A 32 -44.927 -7.784 6.426 1.00 72.25 C ATOM 468 CD PRO A 32 -44.090 -6.534 6.428 1.00 11.40 C ATOM 0 HA PRO A 32 -43.533 -7.666 9.433 1.00 63.53 H new ATOM 0 HB2 PRO A 32 -45.068 -9.366 7.863 1.00 61.33 H new ATOM 0 HB3 PRO A 32 -45.713 -7.833 8.417 1.00 61.33 H new ATOM 0 HG2 PRO A 32 -44.517 -8.527 5.742 1.00 72.25 H new ATOM 0 HG3 PRO A 32 -45.944 -7.572 6.095 1.00 72.25 H new ATOM 0 HD2 PRO A 32 -43.560 -6.404 5.485 1.00 11.40 H new ATOM 0 HD3 PRO A 32 -44.699 -5.643 6.577 1.00 11.40 H new ATOM 476 N ASN A 33 -42.535 -9.943 9.215 1.00 71.22 N ATOM 477 CA ASN A 33 -41.646 -11.100 9.192 1.00 2.45 C ATOM 478 C ASN A 33 -40.184 -10.663 9.204 1.00 2.05 C ATOM 479 O ASN A 33 -39.297 -11.414 8.798 1.00 32.14 O ATOM 480 CB ASN A 33 -41.924 -11.957 7.954 1.00 52.30 C ATOM 481 CG ASN A 33 -43.407 -12.122 7.687 1.00 14.10 C ATOM 482 OD1 ASN A 33 -44.135 -12.697 8.496 1.00 31.13 O ATOM 483 ND2 ASN A 33 -43.862 -11.617 6.546 1.00 31.33 N ATOM 0 H ASN A 33 -43.118 -9.875 10.049 1.00 71.22 H new ATOM 0 HA ASN A 33 -41.837 -11.692 10.087 1.00 2.45 H new ATOM 0 HB2 ASN A 33 -41.450 -11.500 7.085 1.00 52.30 H new ATOM 0 HB3 ASN A 33 -41.470 -12.939 8.086 1.00 52.30 H new ATOM 0 HD21 ASN A 33 -44.851 -11.698 6.311 1.00 31.33 H new ATOM 0 HD22 ASN A 33 -43.222 -11.148 5.905 1.00 31.33 H new ATOM 490 N VAL A 34 -39.941 -9.444 9.673 1.00 34.42 N ATOM 491 CA VAL A 34 -38.586 -8.908 9.741 1.00 3.55 C ATOM 492 C VAL A 34 -37.954 -9.181 11.101 1.00 63.25 C ATOM 493 O VAL A 34 -38.653 -9.371 12.096 1.00 72.34 O ATOM 494 CB VAL A 34 -38.570 -7.391 9.476 1.00 61.54 C ATOM 495 CG1 VAL A 34 -39.178 -6.636 10.648 1.00 74.44 C ATOM 496 CG2 VAL A 34 -37.151 -6.913 9.203 1.00 63.24 C ATOM 0 H VAL A 34 -40.664 -8.809 10.011 1.00 34.42 H new ATOM 0 HA VAL A 34 -38.007 -9.412 8.967 1.00 3.55 H new ATOM 0 HB VAL A 34 -39.175 -7.189 8.592 1.00 61.54 H new ATOM 0 HG11 VAL A 34 -39.157 -5.566 10.442 1.00 74.44 H new ATOM 0 HG12 VAL A 34 -40.209 -6.958 10.793 1.00 74.44 H new ATOM 0 HG13 VAL A 34 -38.604 -6.842 11.551 1.00 74.44 H new ATOM 0 HG21 VAL A 34 -37.158 -5.839 9.018 1.00 63.24 H new ATOM 0 HG22 VAL A 34 -36.522 -7.128 10.067 1.00 63.24 H new ATOM 0 HG23 VAL A 34 -36.755 -7.429 8.328 1.00 63.24 H new ATOM 506 N GLY A 35 -36.625 -9.200 11.137 1.00 71.54 N ATOM 507 CA GLY A 35 -35.920 -9.451 12.381 1.00 61.21 C ATOM 508 C GLY A 35 -35.861 -8.226 13.271 1.00 63.23 C ATOM 509 O GLY A 35 -35.648 -7.112 12.793 1.00 50.52 O ATOM 0 H GLY A 35 -36.024 -9.046 10.327 1.00 71.54 H new ATOM 0 HA2 GLY A 35 -36.413 -10.262 12.917 1.00 61.21 H new ATOM 0 HA3 GLY A 35 -34.906 -9.785 12.160 1.00 61.21 H new ATOM 513 N GLU A 36 -36.055 -8.431 14.570 1.00 25.34 N ATOM 514 CA GLU A 36 -36.025 -7.334 15.530 1.00 23.30 C ATOM 515 C GLU A 36 -34.732 -6.533 15.402 1.00 75.14 C ATOM 516 O GLU A 36 -34.736 -5.306 15.502 1.00 34.31 O ATOM 517 CB GLU A 36 -36.167 -7.869 16.956 1.00 11.14 C ATOM 518 CG GLU A 36 -35.120 -8.906 17.324 1.00 41.24 C ATOM 519 CD GLU A 36 -35.588 -9.845 18.418 1.00 1.32 C ATOM 520 OE1 GLU A 36 -36.726 -10.348 18.322 1.00 11.12 O ATOM 521 OE2 GLU A 36 -34.817 -10.076 19.373 1.00 24.50 O1- ATOM 0 H GLU A 36 -36.235 -9.347 14.982 1.00 25.34 H new ATOM 0 HA GLU A 36 -36.864 -6.673 15.313 1.00 23.30 H new ATOM 0 HB2 GLU A 36 -36.102 -7.036 17.656 1.00 11.14 H new ATOM 0 HB3 GLU A 36 -37.158 -8.308 17.073 1.00 11.14 H new ATOM 0 HG2 GLU A 36 -34.862 -9.486 16.438 1.00 41.24 H new ATOM 0 HG3 GLU A 36 -34.211 -8.400 17.649 1.00 41.24 H new ATOM 528 N ASP A 37 -33.628 -7.237 15.179 1.00 22.02 N ATOM 529 CA ASP A 37 -32.326 -6.594 15.036 1.00 32.15 C ATOM 530 C ASP A 37 -32.263 -5.775 13.751 1.00 14.55 C ATOM 531 O ASP A 37 -31.612 -4.732 13.699 1.00 61.42 O ATOM 532 CB ASP A 37 -31.212 -7.641 15.044 1.00 75.52 C ATOM 533 CG ASP A 37 -31.009 -8.261 16.413 1.00 61.23 C ATOM 534 OD1 ASP A 37 -32.019 -8.596 17.067 1.00 2.44 O ATOM 535 OD2 ASP A 37 -29.842 -8.409 16.831 1.00 44.23 O1- ATOM 0 H ASP A 37 -33.608 -8.253 15.093 1.00 22.02 H new ATOM 0 HA ASP A 37 -32.186 -5.921 15.882 1.00 32.15 H new ATOM 0 HB2 ASP A 37 -31.449 -8.425 14.325 1.00 75.52 H new ATOM 0 HB3 ASP A 37 -30.281 -7.179 14.716 1.00 75.52 H new ATOM 540 N ALA A 38 -32.943 -6.256 12.715 1.00 41.12 N ATOM 541 CA ALA A 38 -32.965 -5.568 11.430 1.00 33.22 C ATOM 542 C ALA A 38 -33.655 -4.214 11.543 1.00 61.11 C ATOM 543 O ALA A 38 -33.443 -3.325 10.717 1.00 73.30 O ATOM 544 CB ALA A 38 -33.656 -6.429 10.383 1.00 54.45 C ATOM 0 H ALA A 38 -33.486 -7.119 12.741 1.00 41.12 H new ATOM 0 HA ALA A 38 -31.934 -5.395 11.121 1.00 33.22 H new ATOM 0 HB1 ALA A 38 -33.666 -5.903 9.428 1.00 54.45 H new ATOM 0 HB2 ALA A 38 -33.118 -7.371 10.273 1.00 54.45 H new ATOM 0 HB3 ALA A 38 -34.680 -6.631 10.696 1.00 54.45 H new ATOM 550 N LEU A 39 -34.484 -4.062 12.571 1.00 44.35 N ATOM 551 CA LEU A 39 -35.207 -2.814 12.792 1.00 51.12 C ATOM 552 C LEU A 39 -34.762 -2.150 14.092 1.00 25.44 C ATOM 553 O LEU A 39 -35.427 -1.247 14.599 1.00 75.32 O ATOM 554 CB LEU A 39 -36.714 -3.074 12.830 1.00 75.42 C ATOM 555 CG LEU A 39 -37.192 -4.099 13.860 1.00 63.45 C ATOM 556 CD1 LEU A 39 -37.414 -3.434 15.210 1.00 3.12 C ATOM 557 CD2 LEU A 39 -38.466 -4.780 13.383 1.00 33.13 C ATOM 0 H LEU A 39 -34.672 -4.787 13.264 1.00 44.35 H new ATOM 0 HA LEU A 39 -34.981 -2.141 11.965 1.00 51.12 H new ATOM 0 HB2 LEU A 39 -37.221 -2.129 13.025 1.00 75.42 H new ATOM 0 HB3 LEU A 39 -37.030 -3.407 11.841 1.00 75.42 H new ATOM 0 HG LEU A 39 -36.419 -4.859 13.975 1.00 63.45 H new ATOM 0 HD11 LEU A 39 -37.754 -4.178 15.931 1.00 3.12 H new ATOM 0 HD12 LEU A 39 -36.479 -2.994 15.557 1.00 3.12 H new ATOM 0 HD13 LEU A 39 -38.168 -2.653 15.111 1.00 3.12 H new ATOM 0 HD21 LEU A 39 -38.791 -5.506 14.128 1.00 33.13 H new ATOM 0 HD22 LEU A 39 -39.246 -4.033 13.239 1.00 33.13 H new ATOM 0 HD23 LEU A 39 -38.274 -5.290 12.439 1.00 33.13 H new ATOM 569 N ARG A 40 -33.631 -2.602 14.624 1.00 20.52 N ATOM 570 CA ARG A 40 -33.096 -2.051 15.864 1.00 43.52 C ATOM 571 C ARG A 40 -32.510 -0.662 15.632 1.00 33.33 C ATOM 572 O ARG A 40 -32.433 0.152 16.553 1.00 61.33 O ATOM 573 CB ARG A 40 -32.025 -2.980 16.439 1.00 31.43 C ATOM 574 CG ARG A 40 -30.687 -2.881 15.724 1.00 41.24 C ATOM 575 CD ARG A 40 -29.830 -4.113 15.974 1.00 43.45 C ATOM 576 NE ARG A 40 -29.468 -4.251 17.382 1.00 63.04 N ATOM 577 CZ ARG A 40 -28.676 -5.211 17.846 1.00 32.22 C ATOM 578 NH1 ARG A 40 -28.165 -6.112 17.019 1.00 22.50 N1+ ATOM 579 NH2 ARG A 40 -28.393 -5.270 19.142 1.00 20.05 N ATOM 0 H ARG A 40 -33.067 -3.348 14.216 1.00 20.52 H new ATOM 0 HA ARG A 40 -33.915 -1.966 16.579 1.00 43.52 H new ATOM 0 HB2 ARG A 40 -31.882 -2.747 17.494 1.00 31.43 H new ATOM 0 HB3 ARG A 40 -32.381 -4.009 16.385 1.00 31.43 H new ATOM 0 HG2 ARG A 40 -30.853 -2.763 14.653 1.00 41.24 H new ATOM 0 HG3 ARG A 40 -30.156 -1.992 16.064 1.00 41.24 H new ATOM 0 HD2 ARG A 40 -30.370 -5.002 15.650 1.00 43.45 H new ATOM 0 HD3 ARG A 40 -28.924 -4.053 15.371 1.00 43.45 H new ATOM 0 HE ARG A 40 -29.844 -3.573 18.045 1.00 63.04 H new ATOM 0 HH11 ARG A 40 -28.380 -6.070 16.023 1.00 22.50 H new ATOM 0 HH12 ARG A 40 -27.557 -6.848 17.379 1.00 22.50 H new ATOM 0 HH21 ARG A 40 -28.784 -4.578 19.781 1.00 20.05 H new ATOM 0 HH22 ARG A 40 -27.785 -6.007 19.498 1.00 20.05 H new ATOM 593 N ASN A 41 -32.096 -0.398 14.397 1.00 55.32 N ATOM 594 CA ASN A 41 -31.515 0.893 14.045 1.00 71.13 C ATOM 595 C ASN A 41 -32.573 1.825 13.461 1.00 35.30 C ATOM 596 O ASN A 41 -32.511 3.042 13.640 1.00 31.23 O ATOM 597 CB ASN A 41 -30.375 0.706 13.042 1.00 34.41 C ATOM 598 CG ASN A 41 -29.611 -0.583 13.269 1.00 10.32 C ATOM 599 OD1 ASN A 41 -29.972 -1.634 12.739 1.00 32.53 O ATOM 600 ND2 ASN A 41 -28.548 -0.509 14.061 1.00 61.32 N ATOM 0 H ASN A 41 -32.152 -1.060 13.623 1.00 55.32 H new ATOM 0 HA ASN A 41 -31.120 1.345 14.954 1.00 71.13 H new ATOM 0 HB2 ASN A 41 -30.780 0.711 12.030 1.00 34.41 H new ATOM 0 HB3 ASN A 41 -29.689 1.550 13.115 1.00 34.41 H new ATOM 0 HD21 ASN A 41 -27.994 -1.344 14.251 1.00 61.32 H new ATOM 0 HD22 ASN A 41 -28.285 0.383 14.479 1.00 61.32 H new ATOM 607 N LEU A 42 -33.544 1.245 12.762 1.00 5.31 N ATOM 608 CA LEU A 42 -34.616 2.023 12.153 1.00 1.45 C ATOM 609 C LEU A 42 -35.296 2.918 13.185 1.00 41.30 C ATOM 610 O LEU A 42 -35.594 2.483 14.297 1.00 64.12 O ATOM 611 CB LEU A 42 -35.648 1.092 11.512 1.00 35.41 C ATOM 612 CG LEU A 42 -36.360 1.632 10.272 1.00 32.44 C ATOM 613 CD1 LEU A 42 -35.717 1.086 9.007 1.00 21.05 C ATOM 614 CD2 LEU A 42 -37.841 1.283 10.314 1.00 43.22 C ATOM 0 H LEU A 42 -33.610 0.240 12.604 1.00 5.31 H new ATOM 0 HA LEU A 42 -34.177 2.657 11.382 1.00 1.45 H new ATOM 0 HB2 LEU A 42 -35.150 0.160 11.244 1.00 35.41 H new ATOM 0 HB3 LEU A 42 -36.401 0.847 12.261 1.00 35.41 H new ATOM 0 HG LEU A 42 -36.263 2.718 10.264 1.00 32.44 H new ATOM 0 HD11 LEU A 42 -36.237 1.481 8.135 1.00 21.05 H new ATOM 0 HD12 LEU A 42 -34.670 1.387 8.972 1.00 21.05 H new ATOM 0 HD13 LEU A 42 -35.782 -0.002 9.006 1.00 21.05 H new ATOM 0 HD21 LEU A 42 -38.333 1.675 9.424 1.00 43.22 H new ATOM 0 HD22 LEU A 42 -37.959 0.200 10.346 1.00 43.22 H new ATOM 0 HD23 LEU A 42 -38.294 1.724 11.202 1.00 43.22 H new ATOM 626 N ASP A 43 -35.539 4.168 12.808 1.00 10.14 N ATOM 627 CA ASP A 43 -36.185 5.124 13.700 1.00 31.33 C ATOM 628 C ASP A 43 -37.640 5.343 13.298 1.00 31.33 C ATOM 629 O ASP A 43 -38.178 4.619 12.460 1.00 2.34 O ATOM 630 CB ASP A 43 -35.432 6.455 13.688 1.00 44.20 C ATOM 631 CG ASP A 43 -33.941 6.280 13.897 1.00 54.04 C ATOM 632 OD1 ASP A 43 -33.547 5.775 14.969 1.00 1.31 O ATOM 633 OD2 ASP A 43 -33.169 6.645 12.987 1.00 30.34 O1- ATOM 0 H ASP A 43 -35.298 4.543 11.891 1.00 10.14 H new ATOM 0 HA ASP A 43 -36.164 4.714 14.710 1.00 31.33 H new ATOM 0 HB2 ASP A 43 -35.606 6.959 12.737 1.00 44.20 H new ATOM 0 HB3 ASP A 43 -35.832 7.102 14.469 1.00 44.20 H new ATOM 638 N ASP A 44 -38.270 6.345 13.901 1.00 73.33 N ATOM 639 CA ASP A 44 -39.663 6.661 13.605 1.00 11.43 C ATOM 640 C ASP A 44 -39.820 7.128 12.162 1.00 44.41 C ATOM 641 O ASP A 44 -40.930 7.178 11.632 1.00 0.12 O ATOM 642 CB ASP A 44 -40.179 7.738 14.562 1.00 63.23 C ATOM 643 CG ASP A 44 -39.349 9.005 14.507 1.00 31.34 C ATOM 644 OD1 ASP A 44 -38.353 9.095 15.255 1.00 40.13 O ATOM 645 OD2 ASP A 44 -39.696 9.908 13.718 1.00 13.32 O1- ATOM 0 H ASP A 44 -37.839 6.952 14.598 1.00 73.33 H new ATOM 0 HA ASP A 44 -40.252 5.754 13.740 1.00 11.43 H new ATOM 0 HB2 ASP A 44 -41.214 7.974 14.315 1.00 63.23 H new ATOM 0 HB3 ASP A 44 -40.175 7.348 15.580 1.00 63.23 H new ATOM 650 N ARG A 45 -38.701 7.471 11.531 1.00 71.11 N ATOM 651 CA ARG A 45 -38.715 7.936 10.150 1.00 52.13 C ATOM 652 C ARG A 45 -38.894 6.769 9.183 1.00 35.45 C ATOM 653 O ARG A 45 -39.326 6.952 8.047 1.00 3.22 O ATOM 654 CB ARG A 45 -37.419 8.685 9.829 1.00 65.04 C ATOM 655 CG ARG A 45 -37.415 10.128 10.306 1.00 43.34 C ATOM 656 CD ARG A 45 -37.957 11.069 9.243 1.00 43.42 C ATOM 657 NE ARG A 45 -37.744 12.471 9.591 1.00 64.23 N ATOM 658 CZ ARG A 45 -37.792 13.464 8.710 1.00 23.12 C ATOM 659 NH1 ARG A 45 -38.045 13.210 7.433 1.00 63.01 N1+ ATOM 660 NH2 ARG A 45 -37.588 14.714 9.105 1.00 3.01 N ATOM 0 H ARG A 45 -37.774 7.435 11.955 1.00 71.11 H new ATOM 0 HA ARG A 45 -39.559 8.615 10.031 1.00 52.13 H new ATOM 0 HB2 ARG A 45 -36.582 8.158 10.286 1.00 65.04 H new ATOM 0 HB3 ARG A 45 -37.256 8.667 8.751 1.00 65.04 H new ATOM 0 HG2 ARG A 45 -38.017 10.215 11.211 1.00 43.34 H new ATOM 0 HG3 ARG A 45 -36.399 10.422 10.570 1.00 43.34 H new ATOM 0 HD2 ARG A 45 -37.474 10.855 8.290 1.00 43.42 H new ATOM 0 HD3 ARG A 45 -39.023 10.887 9.108 1.00 43.42 H new ATOM 0 HE ARG A 45 -37.547 12.701 10.565 1.00 64.23 H new ATOM 0 HH11 ARG A 45 -38.203 12.250 7.126 1.00 63.01 H new ATOM 0 HH12 ARG A 45 -38.081 13.974 6.758 1.00 63.01 H new ATOM 0 HH21 ARG A 45 -37.394 14.914 10.086 1.00 3.01 H new ATOM 0 HH22 ARG A 45 -37.625 15.475 8.427 1.00 3.01 H new ATOM 674 N GLY A 46 -38.557 5.568 9.646 1.00 63.25 N ATOM 675 CA GLY A 46 -38.686 4.389 8.811 1.00 13.20 C ATOM 676 C GLY A 46 -37.401 4.051 8.082 1.00 41.41 C ATOM 677 O GLY A 46 -37.335 3.063 7.350 1.00 11.40 O ATOM 0 H GLY A 46 -38.197 5.392 10.584 1.00 63.25 H new ATOM 0 HA2 GLY A 46 -38.984 3.541 9.428 1.00 13.20 H new ATOM 0 HA3 GLY A 46 -39.482 4.548 8.083 1.00 13.20 H new ATOM 681 N VAL A 47 -36.376 4.873 8.281 1.00 30.53 N ATOM 682 CA VAL A 47 -35.086 4.656 7.637 1.00 42.32 C ATOM 683 C VAL A 47 -33.997 4.378 8.667 1.00 35.22 C ATOM 684 O VAL A 47 -34.001 4.949 9.759 1.00 74.45 O ATOM 685 CB VAL A 47 -34.673 5.871 6.785 1.00 33.24 C ATOM 686 CG1 VAL A 47 -34.645 7.134 7.633 1.00 62.32 C ATOM 687 CG2 VAL A 47 -33.320 5.629 6.131 1.00 11.24 C ATOM 0 H VAL A 47 -36.414 5.695 8.883 1.00 30.53 H new ATOM 0 HA VAL A 47 -35.198 3.787 6.988 1.00 42.32 H new ATOM 0 HB VAL A 47 -35.413 6.007 5.997 1.00 33.24 H new ATOM 0 HG11 VAL A 47 -34.351 7.982 7.014 1.00 62.32 H new ATOM 0 HG12 VAL A 47 -35.636 7.315 8.049 1.00 62.32 H new ATOM 0 HG13 VAL A 47 -33.928 7.012 8.445 1.00 62.32 H new ATOM 0 HG21 VAL A 47 -33.044 6.498 5.533 1.00 11.24 H new ATOM 0 HG22 VAL A 47 -32.567 5.466 6.902 1.00 11.24 H new ATOM 0 HG23 VAL A 47 -33.378 4.750 5.489 1.00 11.24 H new ATOM 697 N ILE A 48 -33.066 3.499 8.312 1.00 4.11 N ATOM 698 CA ILE A 48 -31.969 3.146 9.205 1.00 23.31 C ATOM 699 C ILE A 48 -31.022 4.325 9.405 1.00 42.35 C ATOM 700 O ILE A 48 -30.726 5.063 8.465 1.00 21.41 O ATOM 701 CB ILE A 48 -31.169 1.945 8.669 1.00 74.51 C ATOM 702 CG1 ILE A 48 -32.059 0.701 8.605 1.00 2.21 C ATOM 703 CG2 ILE A 48 -29.950 1.687 9.541 1.00 61.43 C ATOM 704 CD1 ILE A 48 -32.492 0.197 9.964 1.00 11.41 C ATOM 0 H ILE A 48 -33.049 3.018 7.413 1.00 4.11 H new ATOM 0 HA ILE A 48 -32.416 2.875 10.161 1.00 23.31 H new ATOM 0 HB ILE A 48 -30.826 2.177 7.661 1.00 74.51 H new ATOM 0 HG12 ILE A 48 -32.945 0.928 8.012 1.00 2.21 H new ATOM 0 HG13 ILE A 48 -31.523 -0.093 8.086 1.00 2.21 H new ATOM 0 HG21 ILE A 48 -29.395 0.835 9.148 1.00 61.43 H new ATOM 0 HG22 ILE A 48 -29.309 2.569 9.540 1.00 61.43 H new ATOM 0 HG23 ILE A 48 -30.271 1.473 10.560 1.00 61.43 H new ATOM 0 HD11 ILE A 48 -33.120 -0.686 9.842 1.00 11.41 H new ATOM 0 HD12 ILE A 48 -31.612 -0.062 10.553 1.00 11.41 H new ATOM 0 HD13 ILE A 48 -33.057 0.975 10.478 1.00 11.41 H new ATOM 716 N ARG A 49 -30.547 4.494 10.635 1.00 61.21 N ATOM 717 CA ARG A 49 -29.632 5.583 10.958 1.00 55.21 C ATOM 718 C ARG A 49 -28.225 5.276 10.455 1.00 4.43 C ATOM 719 O ARG A 49 -27.901 4.129 10.147 1.00 74.42 O ATOM 720 CB ARG A 49 -29.606 5.823 12.468 1.00 75.12 C ATOM 721 CG ARG A 49 -28.943 7.133 12.865 1.00 63.14 C ATOM 722 CD ARG A 49 -29.238 7.490 14.313 1.00 21.00 C ATOM 723 NE ARG A 49 -30.431 8.323 14.439 1.00 40.53 N ATOM 724 CZ ARG A 49 -30.876 8.799 15.598 1.00 35.01 C ATOM 725 NH1 ARG A 49 -30.228 8.527 16.722 1.00 2.42 N1+ ATOM 726 NH2 ARG A 49 -31.968 9.550 15.631 1.00 44.41 N ATOM 0 H ARG A 49 -30.780 3.891 11.424 1.00 61.21 H new ATOM 0 HA ARG A 49 -29.988 6.485 10.460 1.00 55.21 H new ATOM 0 HB2 ARG A 49 -30.628 5.813 12.847 1.00 75.12 H new ATOM 0 HB3 ARG A 49 -29.080 4.999 12.949 1.00 75.12 H new ATOM 0 HG2 ARG A 49 -27.865 7.055 12.721 1.00 63.14 H new ATOM 0 HG3 ARG A 49 -29.295 7.932 12.213 1.00 63.14 H new ATOM 0 HD2 ARG A 49 -29.371 6.576 14.892 1.00 21.00 H new ATOM 0 HD3 ARG A 49 -28.383 8.015 14.738 1.00 21.00 H new ATOM 0 HE ARG A 49 -30.951 8.552 13.592 1.00 40.53 H new ATOM 0 HH11 ARG A 49 -29.386 7.951 16.699 1.00 2.42 H new ATOM 0 HH12 ARG A 49 -30.571 8.893 17.610 1.00 2.42 H new ATOM 0 HH21 ARG A 49 -32.467 9.763 14.767 1.00 44.41 H new ATOM 0 HH22 ARG A 49 -32.309 9.915 16.520 1.00 44.41 H new ATOM 740 N ILE A 50 -27.393 6.310 10.375 1.00 42.34 N ATOM 741 CA ILE A 50 -26.021 6.151 9.910 1.00 64.41 C ATOM 742 C ILE A 50 -25.185 5.375 10.923 1.00 25.51 C ATOM 743 O ILE A 50 -25.462 5.398 12.121 1.00 50.31 O ATOM 744 CB ILE A 50 -25.354 7.514 9.647 1.00 4.21 C ATOM 745 CG1 ILE A 50 -26.289 8.416 8.839 1.00 31.11 C ATOM 746 CG2 ILE A 50 -24.032 7.325 8.919 1.00 54.25 C ATOM 747 CD1 ILE A 50 -26.724 7.811 7.523 1.00 54.33 C ATOM 0 H ILE A 50 -27.646 7.266 10.626 1.00 42.34 H new ATOM 0 HA ILE A 50 -26.067 5.592 8.975 1.00 64.41 H new ATOM 0 HB ILE A 50 -25.153 7.995 10.605 1.00 4.21 H new ATOM 0 HG12 ILE A 50 -27.173 8.638 9.437 1.00 31.11 H new ATOM 0 HG13 ILE A 50 -25.788 9.365 8.646 1.00 31.11 H new ATOM 0 HG21 ILE A 50 -23.573 8.297 8.740 1.00 54.25 H new ATOM 0 HG22 ILE A 50 -23.365 6.715 9.528 1.00 54.25 H new ATOM 0 HG23 ILE A 50 -24.209 6.827 7.966 1.00 54.25 H new ATOM 0 HD11 ILE A 50 -27.385 8.505 7.004 1.00 54.33 H new ATOM 0 HD12 ILE A 50 -25.848 7.614 6.906 1.00 54.33 H new ATOM 0 HD13 ILE A 50 -27.254 6.877 7.709 1.00 54.33 H new ATOM 759 N GLY A 51 -24.156 4.691 10.431 1.00 2.14 N ATOM 760 CA GLY A 51 -23.293 3.918 11.307 1.00 43.44 C ATOM 761 C GLY A 51 -23.813 2.515 11.543 1.00 53.24 C ATOM 762 O GLY A 51 -23.319 1.801 12.415 1.00 63.33 O ATOM 0 H GLY A 51 -23.905 4.658 9.443 1.00 2.14 H new ATOM 0 HA2 GLY A 51 -22.295 3.864 10.873 1.00 43.44 H new ATOM 0 HA3 GLY A 51 -23.197 4.432 12.263 1.00 43.44 H new ATOM 766 N ALA A 52 -24.814 2.118 10.765 1.00 53.13 N ATOM 767 CA ALA A 52 -25.402 0.790 10.894 1.00 25.41 C ATOM 768 C ALA A 52 -24.937 -0.128 9.768 1.00 3.24 C ATOM 769 O ALA A 52 -25.030 0.221 8.592 1.00 33.21 O ATOM 770 CB ALA A 52 -26.921 0.884 10.906 1.00 4.44 C ATOM 0 H ALA A 52 -25.235 2.697 10.038 1.00 53.13 H new ATOM 0 HA ALA A 52 -25.067 0.362 11.839 1.00 25.41 H new ATOM 0 HB1 ALA A 52 -27.347 -0.115 11.003 1.00 4.44 H new ATOM 0 HB2 ALA A 52 -27.241 1.498 11.748 1.00 4.44 H new ATOM 0 HB3 ALA A 52 -27.265 1.336 9.976 1.00 4.44 H new ATOM 776 N GLU A 53 -24.435 -1.302 10.138 1.00 24.44 N ATOM 777 CA GLU A 53 -23.954 -2.269 9.158 1.00 12.23 C ATOM 778 C GLU A 53 -25.106 -2.813 8.318 1.00 61.23 C ATOM 779 O GLU A 53 -26.178 -3.120 8.841 1.00 62.55 O ATOM 780 CB GLU A 53 -23.230 -3.422 9.858 1.00 5.05 C ATOM 781 CG GLU A 53 -22.180 -2.964 10.855 1.00 63.31 C ATOM 782 CD GLU A 53 -21.564 -4.117 11.624 1.00 65.35 C ATOM 783 OE1 GLU A 53 -21.632 -5.261 11.131 1.00 22.21 O ATOM 784 OE2 GLU A 53 -21.015 -3.874 12.719 1.00 42.20 O1- ATOM 0 H GLU A 53 -24.351 -1.606 11.108 1.00 24.44 H new ATOM 0 HA GLU A 53 -23.254 -1.758 8.496 1.00 12.23 H new ATOM 0 HB2 GLU A 53 -23.964 -4.041 10.374 1.00 5.05 H new ATOM 0 HB3 GLU A 53 -22.755 -4.052 9.106 1.00 5.05 H new ATOM 0 HG2 GLU A 53 -21.394 -2.423 10.327 1.00 63.31 H new ATOM 0 HG3 GLU A 53 -22.632 -2.264 11.557 1.00 63.31 H new ATOM 791 N VAL A 54 -24.878 -2.928 7.014 1.00 22.21 N ATOM 792 CA VAL A 54 -25.896 -3.435 6.102 1.00 62.55 C ATOM 793 C VAL A 54 -25.774 -4.944 5.925 1.00 25.30 C ATOM 794 O VAL A 54 -24.680 -5.504 6.009 1.00 72.42 O ATOM 795 CB VAL A 54 -25.800 -2.758 4.722 1.00 34.21 C ATOM 796 CG1 VAL A 54 -24.592 -3.276 3.956 1.00 11.11 C ATOM 797 CG2 VAL A 54 -27.079 -2.981 3.929 1.00 22.21 C ATOM 0 H VAL A 54 -23.997 -2.677 6.565 1.00 22.21 H new ATOM 0 HA VAL A 54 -26.863 -3.202 6.547 1.00 62.55 H new ATOM 0 HB VAL A 54 -25.674 -1.686 4.871 1.00 34.21 H new ATOM 0 HG11 VAL A 54 -24.541 -2.786 2.983 1.00 11.11 H new ATOM 0 HG12 VAL A 54 -23.684 -3.060 4.519 1.00 11.11 H new ATOM 0 HG13 VAL A 54 -24.685 -4.353 3.816 1.00 11.11 H new ATOM 0 HG21 VAL A 54 -26.994 -2.496 2.957 1.00 22.21 H new ATOM 0 HG22 VAL A 54 -27.238 -4.050 3.788 1.00 22.21 H new ATOM 0 HG23 VAL A 54 -27.923 -2.557 4.473 1.00 22.21 H new ATOM 807 N LYS A 55 -26.903 -5.599 5.679 1.00 32.13 N ATOM 808 CA LYS A 55 -26.923 -7.045 5.488 1.00 11.44 C ATOM 809 C LYS A 55 -28.189 -7.478 4.755 1.00 24.20 C ATOM 810 O LYS A 55 -29.060 -6.660 4.463 1.00 53.12 O ATOM 811 CB LYS A 55 -26.834 -7.760 6.838 1.00 13.34 C ATOM 812 CG LYS A 55 -28.094 -7.636 7.677 1.00 34.42 C ATOM 813 CD LYS A 55 -27.806 -7.864 9.152 1.00 72.33 C ATOM 814 CE LYS A 55 -27.526 -9.329 9.444 1.00 54.12 C ATOM 815 NZ LYS A 55 -28.771 -10.078 9.773 1.00 75.44 N1+ ATOM 0 H LYS A 55 -27.817 -5.152 5.607 1.00 32.13 H new ATOM 0 HA LYS A 55 -26.060 -7.319 4.881 1.00 11.44 H new ATOM 0 HB2 LYS A 55 -26.624 -8.816 6.667 1.00 13.34 H new ATOM 0 HB3 LYS A 55 -25.992 -7.354 7.400 1.00 13.34 H new ATOM 0 HG2 LYS A 55 -28.528 -6.646 7.539 1.00 34.42 H new ATOM 0 HG3 LYS A 55 -28.834 -8.359 7.334 1.00 34.42 H new ATOM 0 HD2 LYS A 55 -26.949 -7.261 9.454 1.00 72.33 H new ATOM 0 HD3 LYS A 55 -28.656 -7.529 9.746 1.00 72.33 H new ATOM 0 HE2 LYS A 55 -27.045 -9.786 8.579 1.00 54.12 H new ATOM 0 HE3 LYS A 55 -26.826 -9.406 10.276 1.00 54.12 H new ATOM 0 HZ1 LYS A 55 -28.537 -11.073 9.966 1.00 75.44 H new ATOM 0 HZ2 LYS A 55 -29.217 -9.658 10.614 1.00 75.44 H new ATOM 0 HZ3 LYS A 55 -29.430 -10.027 8.970 1.00 75.44 H new ATOM 829 N ASP A 56 -28.283 -8.771 4.461 1.00 1.11 N ATOM 830 CA ASP A 56 -29.444 -9.314 3.764 1.00 50.12 C ATOM 831 C ASP A 56 -30.707 -9.147 4.602 1.00 51.21 C ATOM 832 O ASP A 56 -30.676 -9.280 5.825 1.00 22.43 O ATOM 833 CB ASP A 56 -29.224 -10.792 3.439 1.00 24.03 C ATOM 834 CG ASP A 56 -30.524 -11.526 3.173 1.00 74.11 C ATOM 835 OD1 ASP A 56 -31.169 -11.959 4.149 1.00 70.55 O ATOM 836 OD2 ASP A 56 -30.895 -11.667 1.989 1.00 42.54 O1- ATOM 0 H ASP A 56 -27.570 -9.462 4.694 1.00 1.11 H new ATOM 0 HA ASP A 56 -29.571 -8.760 2.834 1.00 50.12 H new ATOM 0 HB2 ASP A 56 -28.577 -10.877 2.566 1.00 24.03 H new ATOM 0 HB3 ASP A 56 -28.703 -11.270 4.269 1.00 24.03 H new ATOM 841 N GLY A 57 -31.820 -8.855 3.935 1.00 23.23 N ATOM 842 CA GLY A 57 -33.078 -8.675 4.633 1.00 2.42 C ATOM 843 C GLY A 57 -33.231 -7.277 5.202 1.00 30.44 C ATOM 844 O GLY A 57 -34.236 -6.966 5.841 1.00 50.43 O ATOM 0 H GLY A 57 -31.872 -8.740 2.923 1.00 23.23 H new ATOM 0 HA2 GLY A 57 -33.902 -8.878 3.949 1.00 2.42 H new ATOM 0 HA3 GLY A 57 -33.149 -9.403 5.441 1.00 2.42 H new ATOM 848 N ASP A 58 -32.231 -6.434 4.970 1.00 1.23 N ATOM 849 CA ASP A 58 -32.257 -5.062 5.463 1.00 24.33 C ATOM 850 C ASP A 58 -32.365 -4.071 4.309 1.00 44.22 C ATOM 851 O ASP A 58 -31.364 -3.717 3.686 1.00 4.32 O ATOM 852 CB ASP A 58 -31.003 -4.770 6.288 1.00 74.23 C ATOM 853 CG ASP A 58 -31.017 -5.472 7.632 1.00 42.34 C ATOM 854 OD1 ASP A 58 -31.766 -6.460 7.777 1.00 52.45 O ATOM 855 OD2 ASP A 58 -30.277 -5.033 8.536 1.00 60.24 O1- ATOM 0 H ASP A 58 -31.392 -6.677 4.443 1.00 1.23 H new ATOM 0 HA ASP A 58 -33.135 -4.947 6.099 1.00 24.33 H new ATOM 0 HB2 ASP A 58 -30.122 -5.083 5.727 1.00 74.23 H new ATOM 0 HB3 ASP A 58 -30.917 -3.695 6.444 1.00 74.23 H new ATOM 860 N LEU A 59 -33.586 -3.628 4.028 1.00 1.10 N ATOM 861 CA LEU A 59 -33.825 -2.678 2.947 1.00 32.31 C ATOM 862 C LEU A 59 -33.290 -1.296 3.309 1.00 22.24 C ATOM 863 O LEU A 59 -32.908 -0.518 2.434 1.00 63.34 O ATOM 864 CB LEU A 59 -35.320 -2.594 2.637 1.00 63.13 C ATOM 865 CG LEU A 59 -36.096 -3.909 2.715 1.00 21.11 C ATOM 866 CD1 LEU A 59 -37.045 -3.900 3.904 1.00 3.32 C ATOM 867 CD2 LEU A 59 -36.861 -4.155 1.422 1.00 13.30 C ATOM 0 H LEU A 59 -34.425 -3.911 4.534 1.00 1.10 H new ATOM 0 HA LEU A 59 -33.296 -3.031 2.062 1.00 32.31 H new ATOM 0 HB2 LEU A 59 -35.775 -1.885 3.329 1.00 63.13 H new ATOM 0 HB3 LEU A 59 -35.440 -2.183 1.635 1.00 63.13 H new ATOM 0 HG LEU A 59 -35.382 -4.721 2.852 1.00 21.11 H new ATOM 0 HD11 LEU A 59 -37.588 -4.844 3.943 1.00 3.32 H new ATOM 0 HD12 LEU A 59 -36.475 -3.771 4.824 1.00 3.32 H new ATOM 0 HD13 LEU A 59 -37.753 -3.078 3.798 1.00 3.32 H new ATOM 0 HD21 LEU A 59 -37.407 -5.095 1.496 1.00 13.30 H new ATOM 0 HD22 LEU A 59 -37.564 -3.339 1.254 1.00 13.30 H new ATOM 0 HD23 LEU A 59 -36.160 -4.207 0.589 1.00 13.30 H new ATOM 879 N LEU A 60 -33.266 -0.997 4.603 1.00 4.23 N ATOM 880 CA LEU A 60 -32.776 0.291 5.081 1.00 33.23 C ATOM 881 C LEU A 60 -33.671 1.428 4.598 1.00 4.21 C ATOM 882 O LEU A 60 -33.298 2.599 4.668 1.00 64.02 O ATOM 883 CB LEU A 60 -31.340 0.521 4.609 1.00 0.12 C ATOM 884 CG LEU A 60 -30.408 -0.689 4.681 1.00 74.51 C ATOM 885 CD1 LEU A 60 -29.114 -0.412 3.931 1.00 63.21 C ATOM 886 CD2 LEU A 60 -30.118 -1.053 6.130 1.00 1.41 C ATOM 0 H LEU A 60 -33.580 -1.629 5.340 1.00 4.23 H new ATOM 0 HA LEU A 60 -32.795 0.276 6.171 1.00 33.23 H new ATOM 0 HB2 LEU A 60 -31.370 0.871 3.577 1.00 0.12 H new ATOM 0 HB3 LEU A 60 -30.907 1.324 5.205 1.00 0.12 H new ATOM 0 HG LEU A 60 -30.905 -1.535 4.206 1.00 74.51 H new ATOM 0 HD11 LEU A 60 -28.463 -1.284 3.993 1.00 63.21 H new ATOM 0 HD12 LEU A 60 -29.338 -0.200 2.885 1.00 63.21 H new ATOM 0 HD13 LEU A 60 -28.612 0.447 4.376 1.00 63.21 H new ATOM 0 HD21 LEU A 60 -29.453 -1.916 6.162 1.00 1.41 H new ATOM 0 HD22 LEU A 60 -29.641 -0.209 6.629 1.00 1.41 H new ATOM 0 HD23 LEU A 60 -31.051 -1.295 6.638 1.00 1.41 H new ATOM 898 N VAL A 61 -34.855 1.075 4.109 1.00 0.20 N ATOM 899 CA VAL A 61 -35.806 2.065 3.617 1.00 71.21 C ATOM 900 C VAL A 61 -37.241 1.577 3.776 1.00 70.32 C ATOM 901 O VAL A 61 -37.558 0.432 3.455 1.00 31.11 O ATOM 902 CB VAL A 61 -35.550 2.400 2.135 1.00 31.34 C ATOM 903 CG1 VAL A 61 -34.177 3.029 1.959 1.00 4.22 C ATOM 904 CG2 VAL A 61 -35.689 1.151 1.276 1.00 2.31 C ATOM 0 H VAL A 61 -35.179 0.110 4.043 1.00 0.20 H new ATOM 0 HA VAL A 61 -35.664 2.965 4.216 1.00 71.21 H new ATOM 0 HB VAL A 61 -36.298 3.123 1.809 1.00 31.34 H new ATOM 0 HG11 VAL A 61 -34.014 3.259 0.906 1.00 4.22 H new ATOM 0 HG12 VAL A 61 -34.120 3.947 2.544 1.00 4.22 H new ATOM 0 HG13 VAL A 61 -33.411 2.333 2.301 1.00 4.22 H new ATOM 0 HG21 VAL A 61 -35.505 1.405 0.232 1.00 2.31 H new ATOM 0 HG22 VAL A 61 -34.965 0.404 1.601 1.00 2.31 H new ATOM 0 HG23 VAL A 61 -36.697 0.749 1.379 1.00 2.31 H new ATOM 914 N GLY A 62 -38.107 2.454 4.276 1.00 71.04 N ATOM 915 CA GLY A 62 -39.499 2.092 4.470 1.00 31.12 C ATOM 916 C GLY A 62 -40.397 2.642 3.379 1.00 34.53 C ATOM 917 O GLY A 62 -40.758 3.820 3.396 1.00 41.31 O ATOM 0 H GLY A 62 -37.870 3.407 4.550 1.00 71.04 H new ATOM 0 HA2 GLY A 62 -39.589 1.006 4.497 1.00 31.12 H new ATOM 0 HA3 GLY A 62 -39.837 2.464 5.437 1.00 31.12 H new ATOM 921 N LYS A 63 -40.759 1.789 2.427 1.00 64.14 N ATOM 922 CA LYS A 63 -41.621 2.195 1.323 1.00 33.22 C ATOM 923 C LYS A 63 -42.676 1.131 1.037 1.00 20.52 C ATOM 924 O LYS A 63 -42.384 0.096 0.441 1.00 13.53 O ATOM 925 CB LYS A 63 -40.786 2.449 0.065 1.00 74.02 C ATOM 926 CG LYS A 63 -39.556 3.305 0.314 1.00 20.40 C ATOM 927 CD LYS A 63 -39.364 4.339 -0.782 1.00 71.32 C ATOM 928 CE LYS A 63 -38.345 5.394 -0.381 1.00 42.40 C ATOM 929 NZ LYS A 63 -38.967 6.739 -0.236 1.00 61.51 N1+ ATOM 0 H LYS A 63 -40.469 0.812 2.398 1.00 64.14 H new ATOM 0 HA LYS A 63 -42.127 3.117 1.610 1.00 33.22 H new ATOM 0 HB2 LYS A 63 -40.474 1.492 -0.353 1.00 74.02 H new ATOM 0 HB3 LYS A 63 -41.411 2.935 -0.684 1.00 74.02 H new ATOM 0 HG2 LYS A 63 -39.650 3.807 1.277 1.00 20.40 H new ATOM 0 HG3 LYS A 63 -38.674 2.667 0.372 1.00 20.40 H new ATOM 0 HD2 LYS A 63 -39.037 3.845 -1.697 1.00 71.32 H new ATOM 0 HD3 LYS A 63 -40.318 4.818 -1.003 1.00 71.32 H new ATOM 0 HE2 LYS A 63 -37.877 5.107 0.560 1.00 42.40 H new ATOM 0 HE3 LYS A 63 -37.554 5.438 -1.130 1.00 42.40 H new ATOM 0 HZ1 LYS A 63 -38.343 7.457 -0.656 1.00 61.51 H new ATOM 0 HZ2 LYS A 63 -39.886 6.751 -0.723 1.00 61.51 H new ATOM 0 HZ3 LYS A 63 -39.107 6.950 0.773 1.00 61.51 H new ATOM 943 N VAL A 64 -43.907 1.396 1.467 1.00 71.05 N ATOM 944 CA VAL A 64 -45.007 0.463 1.256 1.00 72.21 C ATOM 945 C VAL A 64 -46.324 1.203 1.053 1.00 72.14 C ATOM 946 O VAL A 64 -46.646 2.135 1.793 1.00 61.31 O ATOM 947 CB VAL A 64 -45.154 -0.509 2.441 1.00 41.14 C ATOM 948 CG1 VAL A 64 -44.096 -1.600 2.372 1.00 41.34 C ATOM 949 CG2 VAL A 64 -45.071 0.243 3.761 1.00 71.41 C ATOM 0 H VAL A 64 -44.166 2.249 1.963 1.00 71.05 H new ATOM 0 HA VAL A 64 -44.771 -0.106 0.357 1.00 72.21 H new ATOM 0 HB VAL A 64 -46.134 -0.982 2.380 1.00 41.14 H new ATOM 0 HG11 VAL A 64 -44.216 -2.277 3.218 1.00 41.34 H new ATOM 0 HG12 VAL A 64 -44.208 -2.157 1.442 1.00 41.34 H new ATOM 0 HG13 VAL A 64 -43.105 -1.148 2.407 1.00 41.34 H new ATOM 0 HG21 VAL A 64 -45.177 -0.460 4.587 1.00 71.41 H new ATOM 0 HG22 VAL A 64 -44.107 0.746 3.833 1.00 71.41 H new ATOM 0 HG23 VAL A 64 -45.870 0.983 3.809 1.00 71.41 H new ATOM 959 N THR A 65 -47.084 0.784 0.046 1.00 75.31 N ATOM 960 CA THR A 65 -48.367 1.407 -0.255 1.00 21.11 C ATOM 961 C THR A 65 -49.523 0.572 0.281 1.00 50.33 C ATOM 962 O THR A 65 -49.390 -0.626 0.534 1.00 22.30 O ATOM 963 CB THR A 65 -48.552 1.608 -1.770 1.00 51.22 C ATOM 964 OG1 THR A 65 -47.649 0.761 -2.491 1.00 52.43 O ATOM 965 CG2 THR A 65 -48.310 3.059 -2.158 1.00 65.41 C ATOM 0 H THR A 65 -46.833 0.015 -0.575 1.00 75.31 H new ATOM 0 HA THR A 65 -48.368 2.380 0.236 1.00 21.11 H new ATOM 0 HB THR A 65 -49.579 1.346 -2.025 1.00 51.22 H new ATOM 0 HG1 THR A 65 -47.774 0.894 -3.454 1.00 52.43 H new ATOM 0 HG21 THR A 65 -48.447 3.176 -3.233 1.00 65.41 H new ATOM 0 HG22 THR A 65 -49.017 3.699 -1.631 1.00 65.41 H new ATOM 0 HG23 THR A 65 -47.293 3.343 -1.889 1.00 65.41 H new ATOM 973 N PRO A 66 -50.687 1.215 0.457 1.00 71.34 N ATOM 974 CA PRO A 66 -51.891 0.548 0.964 1.00 72.00 C ATOM 975 C PRO A 66 -52.476 -0.436 -0.043 1.00 31.14 C ATOM 976 O PRO A 66 -52.412 -0.214 -1.253 1.00 4.01 O ATOM 977 CB PRO A 66 -52.862 1.706 1.205 1.00 54.11 C ATOM 978 CG PRO A 66 -52.412 2.779 0.275 1.00 72.32 C ATOM 979 CD PRO A 66 -50.917 2.642 0.177 1.00 51.54 C ATOM 0 HA PRO A 66 -51.684 -0.046 1.854 1.00 72.00 H new ATOM 0 HB2 PRO A 66 -53.890 1.409 0.999 1.00 54.11 H new ATOM 0 HB3 PRO A 66 -52.829 2.041 2.242 1.00 54.11 H new ATOM 0 HG2 PRO A 66 -52.879 2.668 -0.704 1.00 72.32 H new ATOM 0 HG3 PRO A 66 -52.690 3.764 0.651 1.00 72.32 H new ATOM 0 HD2 PRO A 66 -50.552 2.922 -0.811 1.00 51.54 H new ATOM 0 HD3 PRO A 66 -50.407 3.281 0.898 1.00 51.54 H new ATOM 987 N LYS A 67 -53.045 -1.525 0.461 1.00 13.34 N ATOM 988 CA LYS A 67 -53.642 -2.543 -0.393 1.00 22.03 C ATOM 989 C LYS A 67 -55.073 -2.849 0.042 1.00 61.40 C ATOM 990 O LYS A 67 -55.341 -3.055 1.226 1.00 45.12 O ATOM 991 CB LYS A 67 -52.804 -3.823 -0.360 1.00 13.12 C ATOM 992 CG LYS A 67 -51.712 -3.862 -1.415 1.00 24.12 C ATOM 993 CD LYS A 67 -51.063 -5.233 -1.495 1.00 43.33 C ATOM 994 CE LYS A 67 -52.043 -6.285 -1.992 1.00 51.24 C ATOM 995 NZ LYS A 67 -52.674 -5.890 -3.281 1.00 22.33 N1+ ATOM 0 H LYS A 67 -53.105 -1.725 1.459 1.00 13.34 H new ATOM 0 HA LYS A 67 -53.665 -2.157 -1.412 1.00 22.03 H new ATOM 0 HB2 LYS A 67 -52.349 -3.924 0.625 1.00 13.12 H new ATOM 0 HB3 LYS A 67 -53.461 -4.681 -0.498 1.00 13.12 H new ATOM 0 HG2 LYS A 67 -52.133 -3.601 -2.386 1.00 24.12 H new ATOM 0 HG3 LYS A 67 -50.955 -3.113 -1.184 1.00 24.12 H new ATOM 0 HD2 LYS A 67 -50.203 -5.191 -2.163 1.00 43.33 H new ATOM 0 HD3 LYS A 67 -50.689 -5.518 -0.511 1.00 43.33 H new ATOM 0 HE2 LYS A 67 -51.523 -7.235 -2.118 1.00 51.24 H new ATOM 0 HE3 LYS A 67 -52.818 -6.443 -1.242 1.00 51.24 H new ATOM 0 HZ1 LYS A 67 -53.101 -6.726 -3.729 1.00 22.33 H new ATOM 0 HZ2 LYS A 67 -53.411 -5.178 -3.103 1.00 22.33 H new ATOM 0 HZ3 LYS A 67 -51.952 -5.489 -3.913 1.00 22.33 H new ATOM 1009 N GLY A 68 -55.987 -2.878 -0.922 1.00 41.33 N ATOM 1010 CA GLY A 68 -57.377 -3.160 -0.617 1.00 62.55 C ATOM 1011 C GLY A 68 -57.551 -4.450 0.161 1.00 22.32 C ATOM 1012 O GLY A 68 -57.045 -5.497 -0.240 1.00 24.52 O ATOM 0 H GLY A 68 -55.790 -2.711 -1.909 1.00 41.33 H new ATOM 0 HA2 GLY A 68 -57.794 -2.334 -0.042 1.00 62.55 H new ATOM 0 HA3 GLY A 68 -57.944 -3.220 -1.546 1.00 62.55 H new ATOM 1355 N VAL A 90 -50.544 -4.423 3.107 1.00 14.00 N ATOM 1356 CA VAL A 90 -49.901 -3.492 2.187 1.00 43.15 C ATOM 1357 C VAL A 90 -48.936 -4.216 1.256 1.00 34.22 C ATOM 1358 O VAL A 90 -48.771 -5.434 1.342 1.00 14.45 O ATOM 1359 CB VAL A 90 -49.137 -2.391 2.945 1.00 61.31 C ATOM 1360 CG1 VAL A 90 -50.104 -1.360 3.509 1.00 61.42 C ATOM 1361 CG2 VAL A 90 -48.288 -2.998 4.052 1.00 63.51 C ATOM 0 HA VAL A 90 -50.694 -3.033 1.597 1.00 43.15 H new ATOM 0 HB VAL A 90 -48.473 -1.886 2.244 1.00 61.31 H new ATOM 0 HG11 VAL A 90 -49.545 -0.590 4.041 1.00 61.42 H new ATOM 0 HG12 VAL A 90 -50.665 -0.903 2.694 1.00 61.42 H new ATOM 0 HG13 VAL A 90 -50.795 -1.847 4.197 1.00 61.42 H new ATOM 0 HG21 VAL A 90 -47.755 -2.206 4.578 1.00 63.51 H new ATOM 0 HG22 VAL A 90 -48.931 -3.530 4.753 1.00 63.51 H new ATOM 0 HG23 VAL A 90 -47.569 -3.694 3.619 1.00 63.51 H new ATOM 1371 N ARG A 91 -48.298 -3.461 0.368 1.00 25.45 N ATOM 1372 CA ARG A 91 -47.349 -4.031 -0.580 1.00 3.45 C ATOM 1373 C ARG A 91 -45.931 -3.548 -0.287 1.00 15.52 C ATOM 1374 O ARG A 91 -45.725 -2.397 0.103 1.00 10.53 O ATOM 1375 CB ARG A 91 -47.740 -3.661 -2.011 1.00 35.24 C ATOM 1376 CG ARG A 91 -47.061 -4.516 -3.069 1.00 1.41 C ATOM 1377 CD ARG A 91 -47.435 -5.984 -2.922 1.00 62.05 C ATOM 1378 NE ARG A 91 -47.289 -6.713 -4.179 1.00 32.31 N ATOM 1379 CZ ARG A 91 -47.200 -8.036 -4.254 1.00 62.40 C ATOM 1380 NH1 ARG A 91 -47.244 -8.771 -3.152 1.00 60.23 N1+ ATOM 1381 NH2 ARG A 91 -47.068 -8.628 -5.435 1.00 63.42 N ATOM 0 H ARG A 91 -48.421 -2.452 0.285 1.00 25.45 H new ATOM 0 HA ARG A 91 -47.374 -5.115 -0.473 1.00 3.45 H new ATOM 0 HB2 ARG A 91 -48.821 -3.755 -2.119 1.00 35.24 H new ATOM 0 HB3 ARG A 91 -47.492 -2.614 -2.187 1.00 35.24 H new ATOM 0 HG2 ARG A 91 -47.346 -4.164 -4.061 1.00 1.41 H new ATOM 0 HG3 ARG A 91 -45.980 -4.405 -2.990 1.00 1.41 H new ATOM 0 HD2 ARG A 91 -46.805 -6.444 -2.160 1.00 62.05 H new ATOM 0 HD3 ARG A 91 -48.465 -6.063 -2.574 1.00 62.05 H new ATOM 0 HE ARG A 91 -47.253 -6.177 -5.046 1.00 32.31 H new ATOM 0 HH11 ARG A 91 -47.347 -8.321 -2.242 1.00 60.23 H new ATOM 0 HH12 ARG A 91 -47.175 -9.787 -3.213 1.00 60.23 H new ATOM 0 HH21 ARG A 91 -47.035 -8.067 -6.286 1.00 63.42 H new ATOM 0 HH22 ARG A 91 -47.000 -9.644 -5.491 1.00 63.42 H new ATOM 1395 N ASP A 92 -44.959 -4.433 -0.477 1.00 43.34 N ATOM 1396 CA ASP A 92 -43.561 -4.096 -0.234 1.00 22.20 C ATOM 1397 C ASP A 92 -42.938 -3.444 -1.464 1.00 4.24 C ATOM 1398 O ASP A 92 -42.578 -4.123 -2.426 1.00 43.15 O ATOM 1399 CB ASP A 92 -42.772 -5.349 0.150 1.00 42.30 C ATOM 1400 CG ASP A 92 -42.894 -6.449 -0.886 1.00 10.14 C ATOM 1401 OD1 ASP A 92 -44.000 -7.011 -1.028 1.00 24.00 O ATOM 1402 OD2 ASP A 92 -41.882 -6.749 -1.554 1.00 53.42 O1- ATOM 0 H ASP A 92 -45.113 -5.389 -0.798 1.00 43.34 H new ATOM 0 HA ASP A 92 -43.522 -3.385 0.591 1.00 22.20 H new ATOM 0 HB2 ASP A 92 -41.721 -5.089 0.277 1.00 42.30 H new ATOM 0 HB3 ASP A 92 -43.128 -5.718 1.112 1.00 42.30 H new ATOM 1407 N THR A 93 -42.812 -2.121 -1.428 1.00 3.24 N ATOM 1408 CA THR A 93 -42.235 -1.376 -2.539 1.00 15.11 C ATOM 1409 C THR A 93 -40.891 -0.767 -2.154 1.00 15.23 C ATOM 1410 O THR A 93 -40.471 0.241 -2.722 1.00 31.43 O ATOM 1411 CB THR A 93 -43.177 -0.255 -3.014 1.00 51.14 C ATOM 1412 OG1 THR A 93 -43.184 0.815 -2.063 1.00 20.55 O ATOM 1413 CG2 THR A 93 -44.592 -0.781 -3.203 1.00 32.22 C ATOM 0 H THR A 93 -43.103 -1.543 -0.639 1.00 3.24 H new ATOM 0 HA THR A 93 -42.089 -2.086 -3.353 1.00 15.11 H new ATOM 0 HB THR A 93 -42.812 0.114 -3.973 1.00 51.14 H new ATOM 0 HG1 THR A 93 -43.028 0.455 -1.165 1.00 20.55 H new ATOM 0 HG21 THR A 93 -45.239 0.029 -3.539 1.00 32.22 H new ATOM 0 HG22 THR A 93 -44.588 -1.576 -3.949 1.00 32.22 H new ATOM 0 HG23 THR A 93 -44.964 -1.174 -2.257 1.00 32.22 H new ATOM 1421 N SER A 94 -40.222 -1.386 -1.186 1.00 41.23 N ATOM 1422 CA SER A 94 -38.927 -0.901 -0.723 1.00 71.52 C ATOM 1423 C SER A 94 -37.800 -1.446 -1.596 1.00 43.33 C ATOM 1424 O SER A 94 -38.011 -2.336 -2.419 1.00 3.02 O ATOM 1425 CB SER A 94 -38.699 -1.305 0.735 1.00 20.52 C ATOM 1426 OG SER A 94 -39.254 -2.582 1.002 1.00 2.23 O ATOM 0 H SER A 94 -40.555 -2.223 -0.708 1.00 41.23 H new ATOM 0 HA SER A 94 -38.926 0.187 -0.795 1.00 71.52 H new ATOM 0 HB2 SER A 94 -37.630 -1.317 0.950 1.00 20.52 H new ATOM 0 HB3 SER A 94 -39.149 -0.564 1.396 1.00 20.52 H new ATOM 0 HG SER A 94 -39.385 -2.686 1.968 1.00 2.23 H new ATOM 1432 N LEU A 95 -36.602 -0.903 -1.409 1.00 11.13 N ATOM 1433 CA LEU A 95 -35.439 -1.332 -2.178 1.00 34.44 C ATOM 1434 C LEU A 95 -34.915 -2.672 -1.671 1.00 62.22 C ATOM 1435 O LEU A 95 -35.036 -2.989 -0.488 1.00 61.44 O ATOM 1436 CB LEU A 95 -34.333 -0.279 -2.101 1.00 53.31 C ATOM 1437 CG LEU A 95 -33.456 -0.316 -0.849 1.00 14.14 C ATOM 1438 CD1 LEU A 95 -32.255 -1.222 -1.066 1.00 71.33 C ATOM 1439 CD2 LEU A 95 -33.006 1.087 -0.471 1.00 61.44 C ATOM 0 H LEU A 95 -36.411 -0.165 -0.732 1.00 11.13 H new ATOM 0 HA LEU A 95 -35.747 -1.451 -3.217 1.00 34.44 H new ATOM 0 HB2 LEU A 95 -33.690 -0.392 -2.974 1.00 53.31 H new ATOM 0 HB3 LEU A 95 -34.793 0.707 -2.169 1.00 53.31 H new ATOM 0 HG LEU A 95 -34.047 -0.720 -0.027 1.00 14.14 H new ATOM 0 HD11 LEU A 95 -31.642 -1.236 -0.165 1.00 71.33 H new ATOM 0 HD12 LEU A 95 -32.597 -2.233 -1.288 1.00 71.33 H new ATOM 0 HD13 LEU A 95 -31.663 -0.848 -1.901 1.00 71.33 H new ATOM 0 HD21 LEU A 95 -32.383 1.041 0.422 1.00 61.44 H new ATOM 0 HD22 LEU A 95 -32.433 1.519 -1.291 1.00 61.44 H new ATOM 0 HD23 LEU A 95 -33.879 1.708 -0.272 1.00 61.44 H new ATOM 1451 N ARG A 96 -34.333 -3.454 -2.574 1.00 22.20 N ATOM 1452 CA ARG A 96 -33.791 -4.760 -2.218 1.00 2.41 C ATOM 1453 C ARG A 96 -32.285 -4.677 -1.981 1.00 14.45 C ATOM 1454 O ARG A 96 -31.515 -4.395 -2.900 1.00 63.30 O ATOM 1455 CB ARG A 96 -34.088 -5.778 -3.321 1.00 44.25 C ATOM 1456 CG ARG A 96 -35.543 -6.216 -3.368 1.00 63.41 C ATOM 1457 CD ARG A 96 -35.824 -7.322 -2.363 1.00 52.41 C ATOM 1458 NE ARG A 96 -37.254 -7.580 -2.219 1.00 50.34 N ATOM 1459 CZ ARG A 96 -37.750 -8.653 -1.613 1.00 2.41 C ATOM 1460 NH1 ARG A 96 -36.935 -9.564 -1.098 1.00 13.23 N1+ ATOM 1461 NH2 ARG A 96 -39.063 -8.818 -1.521 1.00 2.33 N ATOM 0 H ARG A 96 -34.225 -3.206 -3.557 1.00 22.20 H new ATOM 0 HA ARG A 96 -34.271 -5.085 -1.295 1.00 2.41 H new ATOM 0 HB2 ARG A 96 -33.815 -5.347 -4.285 1.00 44.25 H new ATOM 0 HB3 ARG A 96 -33.458 -6.655 -3.174 1.00 44.25 H new ATOM 0 HG2 ARG A 96 -36.188 -5.362 -3.161 1.00 63.41 H new ATOM 0 HG3 ARG A 96 -35.787 -6.564 -4.372 1.00 63.41 H new ATOM 0 HD2 ARG A 96 -35.321 -8.236 -2.679 1.00 52.41 H new ATOM 0 HD3 ARG A 96 -35.406 -7.047 -1.395 1.00 52.41 H new ATOM 0 HE ARG A 96 -37.908 -6.899 -2.605 1.00 50.34 H new ATOM 0 HH11 ARG A 96 -35.925 -9.442 -1.167 1.00 13.23 H new ATOM 0 HH12 ARG A 96 -37.319 -10.387 -0.633 1.00 13.23 H new ATOM 0 HH21 ARG A 96 -39.694 -8.120 -1.916 1.00 2.33 H new ATOM 0 HH22 ARG A 96 -39.442 -9.643 -1.055 1.00 2.33 H new ATOM 1475 N VAL A 97 -31.872 -4.924 -0.742 1.00 32.32 N ATOM 1476 CA VAL A 97 -30.459 -4.877 -0.384 1.00 32.11 C ATOM 1477 C VAL A 97 -29.805 -6.245 -0.550 1.00 2.42 C ATOM 1478 O VAL A 97 -30.337 -7.270 -0.125 1.00 4.01 O ATOM 1479 CB VAL A 97 -30.264 -4.400 1.067 1.00 24.41 C ATOM 1480 CG1 VAL A 97 -28.958 -4.936 1.635 1.00 40.42 C ATOM 1481 CG2 VAL A 97 -30.301 -2.881 1.138 1.00 52.15 C ATOM 0 H VAL A 97 -32.495 -5.159 0.030 1.00 32.32 H new ATOM 0 HA VAL A 97 -29.984 -4.166 -1.060 1.00 32.11 H new ATOM 0 HB VAL A 97 -31.083 -4.790 1.672 1.00 24.41 H new ATOM 0 HG11 VAL A 97 -28.838 -4.588 2.661 1.00 40.42 H new ATOM 0 HG12 VAL A 97 -28.975 -6.026 1.621 1.00 40.42 H new ATOM 0 HG13 VAL A 97 -28.124 -4.578 1.031 1.00 40.42 H new ATOM 0 HG21 VAL A 97 -30.162 -2.562 2.171 1.00 52.15 H new ATOM 0 HG22 VAL A 97 -29.504 -2.468 0.520 1.00 52.15 H new ATOM 0 HG23 VAL A 97 -31.264 -2.523 0.774 1.00 52.15 H new ATOM 1491 N PRO A 98 -28.623 -6.262 -1.183 1.00 12.13 N ATOM 1492 CA PRO A 98 -27.869 -7.497 -1.419 1.00 3.14 C ATOM 1493 C PRO A 98 -27.300 -8.083 -0.132 1.00 31.21 C ATOM 1494 O PRO A 98 -27.217 -7.401 0.890 1.00 54.31 O ATOM 1495 CB PRO A 98 -26.738 -7.050 -2.349 1.00 5.32 C ATOM 1496 CG PRO A 98 -26.563 -5.598 -2.062 1.00 31.15 C ATOM 1497 CD PRO A 98 -27.930 -5.076 -1.716 1.00 23.22 C ATOM 0 HA PRO A 98 -28.497 -8.284 -1.837 1.00 3.14 H new ATOM 0 HB2 PRO A 98 -25.821 -7.606 -2.153 1.00 5.32 H new ATOM 0 HB3 PRO A 98 -26.995 -7.219 -3.395 1.00 5.32 H new ATOM 0 HG2 PRO A 98 -25.867 -5.444 -1.238 1.00 31.15 H new ATOM 0 HG3 PRO A 98 -26.153 -5.076 -2.927 1.00 31.15 H new ATOM 0 HD2 PRO A 98 -27.880 -4.275 -0.979 1.00 23.22 H new ATOM 0 HD3 PRO A 98 -28.439 -4.672 -2.591 1.00 23.22 H new ATOM 1505 N HIS A 99 -26.907 -9.352 -0.188 1.00 2.03 N ATOM 1506 CA HIS A 99 -26.343 -10.029 0.974 1.00 40.20 C ATOM 1507 C HIS A 99 -25.011 -9.404 1.376 1.00 23.32 C ATOM 1508 O HIS A 99 -24.077 -9.341 0.577 1.00 3.54 O ATOM 1509 CB HIS A 99 -26.152 -11.518 0.679 1.00 10.22 C ATOM 1510 CG HIS A 99 -25.682 -12.307 1.862 1.00 63.35 C ATOM 1511 ND1 HIS A 99 -25.065 -13.536 1.751 1.00 22.30 N ATOM 1512 CD2 HIS A 99 -25.738 -12.036 3.187 1.00 12.11 C ATOM 1513 CE1 HIS A 99 -24.766 -13.987 2.955 1.00 51.45 C ATOM 1514 NE2 HIS A 99 -25.164 -13.094 3.845 1.00 54.33 N ATOM 0 H HIS A 99 -26.969 -9.931 -1.025 1.00 2.03 H new ATOM 0 HA HIS A 99 -27.041 -9.916 1.803 1.00 40.20 H new ATOM 0 HB2 HIS A 99 -27.096 -11.934 0.327 1.00 10.22 H new ATOM 0 HB3 HIS A 99 -25.432 -11.630 -0.132 1.00 10.22 H new ATOM 0 HD2 HIS A 99 -26.157 -11.151 3.642 1.00 12.11 H new ATOM 0 HE1 HIS A 99 -24.279 -14.926 3.175 1.00 51.45 H new ATOM 0 HE2 HIS A 99 -25.061 -13.178 4.856 1.00 54.33 H new ATOM 1522 N GLY A 100 -24.932 -8.940 2.619 1.00 52.11 N ATOM 1523 CA GLY A 100 -23.711 -8.324 3.105 1.00 34.40 C ATOM 1524 C GLY A 100 -23.612 -6.858 2.728 1.00 32.53 C ATOM 1525 O GLY A 100 -23.352 -6.007 3.577 1.00 13.43 O ATOM 0 H GLY A 100 -25.692 -8.980 3.298 1.00 52.11 H new ATOM 0 HA2 GLY A 100 -23.665 -8.421 4.190 1.00 34.40 H new ATOM 0 HA3 GLY A 100 -22.852 -8.859 2.701 1.00 34.40 H new ATOM 1529 N GLY A 101 -23.817 -6.563 1.447 1.00 3.44 N ATOM 1530 CA GLY A 101 -23.743 -5.190 0.981 1.00 63.32 C ATOM 1531 C GLY A 101 -22.337 -4.791 0.577 1.00 13.11 C ATOM 1532 O GLY A 101 -22.151 -4.017 -0.361 1.00 41.12 O ATOM 0 H GLY A 101 -24.033 -7.250 0.724 1.00 3.44 H new ATOM 0 HA2 GLY A 101 -24.413 -5.061 0.131 1.00 63.32 H new ATOM 0 HA3 GLY A 101 -24.095 -4.523 1.768 1.00 63.32 H new ATOM 1536 N GLY A 102 -21.345 -5.320 1.286 1.00 35.30 N ATOM 1537 CA GLY A 102 -19.963 -5.001 0.981 1.00 42.33 C ATOM 1538 C GLY A 102 -19.394 -3.945 1.908 1.00 11.11 C ATOM 1539 O GLY A 102 -18.232 -4.021 2.307 1.00 65.03 O ATOM 0 H GLY A 102 -21.474 -5.964 2.066 1.00 35.30 H new ATOM 0 HA2 GLY A 102 -19.360 -5.906 1.053 1.00 42.33 H new ATOM 0 HA3 GLY A 102 -19.893 -4.652 -0.049 1.00 42.33 H new ATOM 1543 N GLY A 103 -20.213 -2.956 2.251 1.00 42.51 N ATOM 1544 CA GLY A 103 -19.766 -1.894 3.132 1.00 70.24 C ATOM 1545 C GLY A 103 -20.765 -1.593 4.233 1.00 14.31 C ATOM 1546 O GLY A 103 -21.622 -2.421 4.544 1.00 75.45 O ATOM 0 H GLY A 103 -21.179 -2.871 1.934 1.00 42.51 H new ATOM 0 HA2 GLY A 103 -18.812 -2.174 3.578 1.00 70.24 H new ATOM 0 HA3 GLY A 103 -19.591 -0.991 2.547 1.00 70.24 H new ATOM 1550 N ILE A 104 -20.654 -0.409 4.822 1.00 10.42 N ATOM 1551 CA ILE A 104 -21.555 -0.003 5.894 1.00 73.30 C ATOM 1552 C ILE A 104 -22.167 1.366 5.609 1.00 61.32 C ATOM 1553 O ILE A 104 -21.546 2.213 4.967 1.00 74.25 O ATOM 1554 CB ILE A 104 -20.830 0.045 7.252 1.00 31.42 C ATOM 1555 CG1 ILE A 104 -20.140 -1.292 7.532 1.00 73.31 C ATOM 1556 CG2 ILE A 104 -21.809 0.385 8.364 1.00 75.13 C ATOM 1557 CD1 ILE A 104 -19.241 -1.265 8.749 1.00 42.35 C ATOM 0 H ILE A 104 -19.950 0.287 4.576 1.00 10.42 H new ATOM 0 HA ILE A 104 -22.347 -0.751 5.940 1.00 73.30 H new ATOM 0 HB ILE A 104 -20.070 0.825 7.214 1.00 31.42 H new ATOM 0 HG12 ILE A 104 -20.899 -2.062 7.668 1.00 73.31 H new ATOM 0 HG13 ILE A 104 -19.550 -1.577 6.661 1.00 73.31 H new ATOM 0 HG21 ILE A 104 -21.281 0.415 9.317 1.00 75.13 H new ATOM 0 HG22 ILE A 104 -22.259 1.358 8.168 1.00 75.13 H new ATOM 0 HG23 ILE A 104 -22.590 -0.374 8.406 1.00 75.13 H new ATOM 0 HD11 ILE A 104 -18.785 -2.246 8.887 1.00 42.35 H new ATOM 0 HD12 ILE A 104 -18.459 -0.518 8.608 1.00 42.35 H new ATOM 0 HD13 ILE A 104 -19.830 -1.011 9.631 1.00 42.35 H new ATOM 1569 N ILE A 105 -23.386 1.574 6.093 1.00 72.41 N ATOM 1570 CA ILE A 105 -24.081 2.841 5.893 1.00 11.13 C ATOM 1571 C ILE A 105 -23.358 3.981 6.602 1.00 43.31 C ATOM 1572 O ILE A 105 -23.446 4.123 7.823 1.00 71.54 O ATOM 1573 CB ILE A 105 -25.532 2.773 6.402 1.00 21.24 C ATOM 1574 CG1 ILE A 105 -26.239 1.542 5.831 1.00 33.43 C ATOM 1575 CG2 ILE A 105 -26.284 4.042 6.029 1.00 13.51 C ATOM 1576 CD1 ILE A 105 -26.346 1.552 4.322 1.00 11.11 C ATOM 0 H ILE A 105 -23.913 0.883 6.626 1.00 72.41 H new ATOM 0 HA ILE A 105 -24.090 3.031 4.820 1.00 11.13 H new ATOM 0 HB ILE A 105 -25.516 2.689 7.489 1.00 21.24 H new ATOM 0 HG12 ILE A 105 -25.701 0.647 6.143 1.00 33.43 H new ATOM 0 HG13 ILE A 105 -27.240 1.477 6.258 1.00 33.43 H new ATOM 0 HG21 ILE A 105 -27.309 3.979 6.396 1.00 13.51 H new ATOM 0 HG22 ILE A 105 -25.790 4.903 6.479 1.00 13.51 H new ATOM 0 HG23 ILE A 105 -26.293 4.154 4.945 1.00 13.51 H new ATOM 0 HD11 ILE A 105 -26.858 0.650 3.988 1.00 11.11 H new ATOM 0 HD12 ILE A 105 -26.910 2.429 4.003 1.00 11.11 H new ATOM 0 HD13 ILE A 105 -25.347 1.585 3.887 1.00 11.11 H new ATOM 1588 N HIS A 106 -22.645 4.794 5.829 1.00 44.11 N ATOM 1589 CA HIS A 106 -21.908 5.925 6.382 1.00 34.34 C ATOM 1590 C HIS A 106 -22.620 7.239 6.075 1.00 52.02 C ATOM 1591 O HIS A 106 -22.347 8.265 6.699 1.00 2.51 O ATOM 1592 CB HIS A 106 -20.486 5.958 5.822 1.00 22.33 C ATOM 1593 CG HIS A 106 -19.499 6.623 6.731 1.00 1.11 C ATOM 1594 ND1 HIS A 106 -19.872 7.462 7.761 1.00 2.12 N ATOM 1595 CD2 HIS A 106 -18.148 6.567 6.763 1.00 44.21 C ATOM 1596 CE1 HIS A 106 -18.791 7.895 8.386 1.00 70.15 C ATOM 1597 NE2 HIS A 106 -17.731 7.366 7.800 1.00 4.01 N ATOM 0 H HIS A 106 -22.562 4.691 4.818 1.00 44.11 H new ATOM 0 HA HIS A 106 -21.860 5.802 7.464 1.00 34.34 H new ATOM 0 HB2 HIS A 106 -20.157 4.937 5.627 1.00 22.33 H new ATOM 0 HB3 HIS A 106 -20.494 6.479 4.864 1.00 22.33 H new ATOM 0 HD1 HIS A 106 -20.832 7.709 8.002 1.00 2.12 H new ATOM 0 HD2 HIS A 106 -17.515 6.000 6.097 1.00 44.21 H new ATOM 0 HE1 HIS A 106 -18.776 8.567 9.232 1.00 70.15 H new ATOM 1605 N ASP A 107 -23.532 7.201 5.109 1.00 2.53 N ATOM 1606 CA ASP A 107 -24.283 8.388 4.720 1.00 2.33 C ATOM 1607 C ASP A 107 -25.573 8.004 4.002 1.00 53.53 C ATOM 1608 O ASP A 107 -25.659 6.944 3.382 1.00 42.21 O ATOM 1609 CB ASP A 107 -23.431 9.284 3.818 1.00 13.01 C ATOM 1610 CG ASP A 107 -23.599 10.756 4.139 1.00 51.05 C ATOM 1611 OD1 ASP A 107 -24.574 11.103 4.838 1.00 40.31 O ATOM 1612 OD2 ASP A 107 -22.755 11.561 3.691 1.00 71.12 O1- ATOM 0 H ASP A 107 -23.768 6.361 4.581 1.00 2.53 H new ATOM 0 HA ASP A 107 -24.541 8.937 5.626 1.00 2.33 H new ATOM 0 HB2 ASP A 107 -22.382 9.009 3.925 1.00 13.01 H new ATOM 0 HB3 ASP A 107 -23.702 9.109 2.777 1.00 13.01 H new ATOM 1617 N VAL A 108 -26.575 8.873 4.092 1.00 40.23 N ATOM 1618 CA VAL A 108 -27.862 8.625 3.451 1.00 11.03 C ATOM 1619 C VAL A 108 -28.544 9.932 3.064 1.00 62.13 C ATOM 1620 O VAL A 108 -28.765 10.802 3.907 1.00 23.34 O ATOM 1621 CB VAL A 108 -28.800 7.821 4.370 1.00 20.20 C ATOM 1622 CG1 VAL A 108 -30.156 7.623 3.709 1.00 12.41 C ATOM 1623 CG2 VAL A 108 -28.174 6.482 4.732 1.00 33.40 C ATOM 0 H VAL A 108 -26.521 9.755 4.602 1.00 40.23 H new ATOM 0 HA VAL A 108 -27.661 8.044 2.551 1.00 11.03 H new ATOM 0 HB VAL A 108 -28.950 8.387 5.290 1.00 20.20 H new ATOM 0 HG11 VAL A 108 -30.805 7.053 4.374 1.00 12.41 H new ATOM 0 HG12 VAL A 108 -30.607 8.594 3.507 1.00 12.41 H new ATOM 0 HG13 VAL A 108 -30.028 7.080 2.773 1.00 12.41 H new ATOM 0 HG21 VAL A 108 -28.851 5.928 5.382 1.00 33.40 H new ATOM 0 HG22 VAL A 108 -27.992 5.908 3.823 1.00 33.40 H new ATOM 0 HG23 VAL A 108 -27.230 6.650 5.250 1.00 33.40 H new ATOM 1633 N LYS A 109 -28.876 10.064 1.785 1.00 73.05 N ATOM 1634 CA LYS A 109 -29.535 11.264 1.284 1.00 64.22 C ATOM 1635 C LYS A 109 -31.031 11.029 1.107 1.00 55.52 C ATOM 1636 O LYS A 109 -31.451 9.988 0.600 1.00 53.24 O ATOM 1637 CB LYS A 109 -28.914 11.694 -0.047 1.00 5.12 C ATOM 1638 CG LYS A 109 -27.772 12.683 0.106 1.00 4.01 C ATOM 1639 CD LYS A 109 -28.265 14.119 0.040 1.00 43.23 C ATOM 1640 CE LYS A 109 -27.157 15.105 0.378 1.00 25.43 C ATOM 1641 NZ LYS A 109 -26.713 14.976 1.794 1.00 11.23 N1+ ATOM 0 H LYS A 109 -28.699 9.353 1.075 1.00 73.05 H new ATOM 0 HA LYS A 109 -29.394 12.059 2.017 1.00 64.22 H new ATOM 0 HB2 LYS A 109 -28.550 10.810 -0.571 1.00 5.12 H new ATOM 0 HB3 LYS A 109 -29.688 12.139 -0.672 1.00 5.12 H new ATOM 0 HG2 LYS A 109 -27.268 12.514 1.058 1.00 4.01 H new ATOM 0 HG3 LYS A 109 -27.035 12.514 -0.679 1.00 4.01 H new ATOM 0 HD2 LYS A 109 -28.647 14.328 -0.959 1.00 43.23 H new ATOM 0 HD3 LYS A 109 -29.096 14.252 0.733 1.00 43.23 H new ATOM 0 HE2 LYS A 109 -26.308 14.939 -0.285 1.00 25.43 H new ATOM 0 HE3 LYS A 109 -27.508 16.121 0.198 1.00 25.43 H new ATOM 0 HZ1 LYS A 109 -26.168 15.819 2.065 1.00 11.23 H new ATOM 0 HZ2 LYS A 109 -27.545 14.888 2.412 1.00 11.23 H new ATOM 0 HZ3 LYS A 109 -26.116 14.130 1.895 1.00 11.23 H new ATOM 1655 N VAL A 110 -31.833 12.003 1.527 1.00 33.40 N ATOM 1656 CA VAL A 110 -33.283 11.903 1.413 1.00 62.24 C ATOM 1657 C VAL A 110 -33.892 13.230 0.977 1.00 62.33 C ATOM 1658 O VAL A 110 -33.698 14.258 1.626 1.00 72.31 O ATOM 1659 CB VAL A 110 -33.922 11.469 2.745 1.00 4.52 C ATOM 1660 CG1 VAL A 110 -33.525 12.420 3.863 1.00 44.34 C ATOM 1661 CG2 VAL A 110 -35.436 11.395 2.610 1.00 54.34 C ATOM 0 H VAL A 110 -31.502 12.871 1.949 1.00 33.40 H new ATOM 0 HA VAL A 110 -33.490 11.146 0.657 1.00 62.24 H new ATOM 0 HB VAL A 110 -33.553 10.475 2.998 1.00 4.52 H new ATOM 0 HG11 VAL A 110 -33.986 12.097 4.796 1.00 44.34 H new ATOM 0 HG12 VAL A 110 -32.441 12.418 3.974 1.00 44.34 H new ATOM 0 HG13 VAL A 110 -33.863 13.428 3.621 1.00 44.34 H new ATOM 0 HG21 VAL A 110 -35.871 11.087 3.561 1.00 54.34 H new ATOM 0 HG22 VAL A 110 -35.825 12.375 2.333 1.00 54.34 H new ATOM 0 HG23 VAL A 110 -35.698 10.670 1.839 1.00 54.34 H new ATOM 1671 N PHE A 111 -34.632 13.201 -0.127 1.00 31.14 N ATOM 1672 CA PHE A 111 -35.271 14.403 -0.651 1.00 61.30 C ATOM 1673 C PHE A 111 -36.771 14.389 -0.370 1.00 14.04 C ATOM 1674 O PHE A 111 -37.382 13.327 -0.265 1.00 54.20 O ATOM 1675 CB PHE A 111 -35.024 14.523 -2.156 1.00 25.34 C ATOM 1676 CG PHE A 111 -33.599 14.259 -2.552 1.00 21.54 C ATOM 1677 CD1 PHE A 111 -32.556 14.912 -1.915 1.00 61.01 C ATOM 1678 CD2 PHE A 111 -33.303 13.358 -3.563 1.00 34.24 C ATOM 1679 CE1 PHE A 111 -31.244 14.670 -2.278 1.00 62.23 C ATOM 1680 CE2 PHE A 111 -31.993 13.112 -3.930 1.00 44.30 C ATOM 1681 CZ PHE A 111 -30.962 13.770 -3.286 1.00 45.00 C ATOM 0 H PHE A 111 -34.804 12.359 -0.676 1.00 31.14 H new ATOM 0 HA PHE A 111 -34.833 15.265 -0.148 1.00 61.30 H new ATOM 0 HB2 PHE A 111 -35.674 13.822 -2.680 1.00 25.34 H new ATOM 0 HB3 PHE A 111 -35.304 15.524 -2.484 1.00 25.34 H new ATOM 0 HD1 PHE A 111 -32.770 15.618 -1.126 1.00 61.01 H new ATOM 0 HD2 PHE A 111 -34.105 12.842 -4.070 1.00 34.24 H new ATOM 0 HE1 PHE A 111 -30.440 15.185 -1.773 1.00 62.23 H new ATOM 0 HE2 PHE A 111 -31.776 12.407 -4.719 1.00 44.30 H new ATOM 0 HZ PHE A 111 -29.938 13.580 -3.571 1.00 45.00 H new ATOM 1691 N ASN A 112 -37.355 15.576 -0.248 1.00 50.25 N ATOM 1692 CA ASN A 112 -38.783 15.700 0.022 1.00 72.43 C ATOM 1693 C ASN A 112 -39.433 16.696 -0.933 1.00 13.34 C ATOM 1694 O ASN A 112 -38.868 17.751 -1.224 1.00 60.11 O ATOM 1695 CB ASN A 112 -39.013 16.140 1.470 1.00 64.11 C ATOM 1696 CG ASN A 112 -40.344 15.661 2.014 1.00 42.02 C ATOM 1697 OD1 ASN A 112 -41.103 14.982 1.322 1.00 74.51 O ATOM 1698 ND2 ASN A 112 -40.635 16.015 3.261 1.00 45.40 N ATOM 0 H ASN A 112 -36.862 16.465 -0.332 1.00 50.25 H new ATOM 0 HA ASN A 112 -39.243 14.724 -0.132 1.00 72.43 H new ATOM 0 HB2 ASN A 112 -38.208 15.755 2.096 1.00 64.11 H new ATOM 0 HB3 ASN A 112 -38.970 17.228 1.528 1.00 64.11 H new ATOM 0 HD21 ASN A 112 -41.517 15.723 3.681 1.00 45.40 H new ATOM 0 HD22 ASN A 112 -39.976 16.579 3.798 1.00 45.40 H new ATOM 1705 N ARG A 113 -40.622 16.355 -1.417 1.00 20.34 N ATOM 1706 CA ARG A 113 -41.348 17.219 -2.340 1.00 53.42 C ATOM 1707 C ARG A 113 -41.777 18.512 -1.651 1.00 54.43 C ATOM 1708 O ARG A 113 -41.746 19.585 -2.251 1.00 33.44 O ATOM 1709 CB ARG A 113 -42.576 16.493 -2.894 1.00 52.52 C ATOM 1710 CG ARG A 113 -43.524 15.992 -1.817 1.00 1.01 C ATOM 1711 CD ARG A 113 -44.707 15.249 -2.419 1.00 10.22 C ATOM 1712 NE ARG A 113 -45.573 16.134 -3.192 1.00 43.12 N ATOM 1713 CZ ARG A 113 -46.440 16.978 -2.643 1.00 21.52 C ATOM 1714 NH1 ARG A 113 -46.554 17.052 -1.324 1.00 31.21 N1+ ATOM 1715 NH2 ARG A 113 -47.194 17.751 -3.413 1.00 54.41 N ATOM 0 H ARG A 113 -41.104 15.486 -1.185 1.00 20.34 H new ATOM 0 HA ARG A 113 -40.680 17.470 -3.164 1.00 53.42 H new ATOM 0 HB2 ARG A 113 -43.117 17.167 -3.558 1.00 52.52 H new ATOM 0 HB3 ARG A 113 -42.246 15.648 -3.498 1.00 52.52 H new ATOM 0 HG2 ARG A 113 -42.987 15.332 -1.136 1.00 1.01 H new ATOM 0 HG3 ARG A 113 -43.884 16.835 -1.227 1.00 1.01 H new ATOM 0 HD2 ARG A 113 -44.343 14.447 -3.061 1.00 10.22 H new ATOM 0 HD3 ARG A 113 -45.285 14.782 -1.622 1.00 10.22 H new ATOM 0 HE ARG A 113 -45.509 16.103 -4.210 1.00 43.12 H new ATOM 0 HH11 ARG A 113 -45.975 16.460 -0.728 1.00 31.21 H new ATOM 0 HH12 ARG A 113 -47.220 17.701 -0.905 1.00 31.21 H new ATOM 0 HH21 ARG A 113 -47.109 17.698 -4.428 1.00 54.41 H new ATOM 0 HH22 ARG A 113 -47.859 18.398 -2.990 1.00 54.41 H new ATOM 1729 N GLU A 114 -42.177 18.399 -0.388 1.00 1.14 N ATOM 1730 CA GLU A 114 -42.613 19.558 0.381 1.00 4.11 C ATOM 1731 C GLU A 114 -41.492 20.588 0.496 1.00 41.23 C ATOM 1732 O GLU A 114 -41.746 21.783 0.648 1.00 33.03 O ATOM 1733 CB GLU A 114 -43.072 19.130 1.776 1.00 54.33 C ATOM 1734 CG GLU A 114 -44.037 17.956 1.765 1.00 44.41 C ATOM 1735 CD GLU A 114 -44.903 17.901 3.009 1.00 52.21 C ATOM 1736 OE1 GLU A 114 -45.918 18.629 3.057 1.00 71.42 O ATOM 1737 OE2 GLU A 114 -44.567 17.132 3.933 1.00 73.01 O1- ATOM 0 H GLU A 114 -42.208 17.517 0.124 1.00 1.14 H new ATOM 0 HA GLU A 114 -43.451 20.016 -0.144 1.00 4.11 H new ATOM 0 HB2 GLU A 114 -42.198 18.866 2.372 1.00 54.33 H new ATOM 0 HB3 GLU A 114 -43.549 19.977 2.268 1.00 54.33 H new ATOM 0 HG2 GLU A 114 -44.676 18.024 0.885 1.00 44.41 H new ATOM 0 HG3 GLU A 114 -43.473 17.027 1.678 1.00 44.41 H new ATOM 1744 N ASP A 115 -40.253 20.115 0.423 1.00 61.31 N ATOM 1745 CA ASP A 115 -39.093 20.992 0.518 1.00 32.24 C ATOM 1746 C ASP A 115 -38.914 21.798 -0.765 1.00 43.43 C ATOM 1747 O ASP A 115 -38.208 22.806 -0.784 1.00 43.12 O ATOM 1748 CB ASP A 115 -37.830 20.176 0.802 1.00 53.53 C ATOM 1749 CG ASP A 115 -36.810 20.951 1.613 1.00 13.43 C ATOM 1750 OD1 ASP A 115 -36.972 22.181 1.750 1.00 74.43 O ATOM 1751 OD2 ASP A 115 -35.851 20.326 2.112 1.00 32.32 O1- ATOM 0 H ASP A 115 -40.026 19.128 0.298 1.00 61.31 H new ATOM 0 HA ASP A 115 -39.261 21.686 1.342 1.00 32.24 H new ATOM 0 HB2 ASP A 115 -38.101 19.267 1.338 1.00 53.53 H new ATOM 0 HB3 ASP A 115 -37.381 19.867 -0.142 1.00 53.53 H new ATOM 1756 N GLY A 116 -39.558 21.346 -1.837 1.00 54.51 N ATOM 1757 CA GLY A 116 -39.456 22.036 -3.109 1.00 23.20 C ATOM 1758 C GLY A 116 -38.624 21.271 -4.119 1.00 2.22 C ATOM 1759 O GLY A 116 -38.104 21.852 -5.072 1.00 55.14 O ATOM 0 H GLY A 116 -40.148 20.514 -1.847 1.00 54.51 H new ATOM 0 HA2 GLY A 116 -40.456 22.196 -3.513 1.00 23.20 H new ATOM 0 HA3 GLY A 116 -39.015 23.020 -2.951 1.00 23.20 H new ATOM 1763 N ASP A 117 -38.496 19.965 -3.910 1.00 71.14 N ATOM 1764 CA ASP A 117 -37.720 19.119 -4.809 1.00 22.33 C ATOM 1765 C ASP A 117 -38.607 18.527 -5.899 1.00 23.13 C ATOM 1766 O ASP A 117 -39.540 17.777 -5.613 1.00 55.15 O ATOM 1767 CB ASP A 117 -37.036 17.998 -4.025 1.00 15.40 C ATOM 1768 CG ASP A 117 -35.765 18.461 -3.341 1.00 11.35 C ATOM 1769 OD1 ASP A 117 -34.940 19.121 -4.007 1.00 73.13 O ATOM 1770 OD2 ASP A 117 -35.596 18.163 -2.141 1.00 42.23 O1- ATOM 0 H ASP A 117 -38.920 19.469 -3.126 1.00 71.14 H new ATOM 0 HA ASP A 117 -36.958 19.738 -5.283 1.00 22.33 H new ATOM 0 HB2 ASP A 117 -37.726 17.608 -3.277 1.00 15.40 H new ATOM 0 HB3 ASP A 117 -36.802 17.176 -4.702 1.00 15.40 H new ATOM 1775 N GLU A 118 -38.312 18.873 -7.148 1.00 12.24 N ATOM 1776 CA GLU A 118 -39.085 18.376 -8.280 1.00 23.12 C ATOM 1777 C GLU A 118 -38.805 16.896 -8.524 1.00 62.43 C ATOM 1778 O GLU A 118 -37.653 16.459 -8.505 1.00 43.24 O ATOM 1779 CB GLU A 118 -38.761 19.181 -9.541 1.00 34.24 C ATOM 1780 CG GLU A 118 -39.694 18.893 -10.704 1.00 62.21 C ATOM 1781 CD GLU A 118 -39.676 19.989 -11.752 1.00 42.54 C ATOM 1782 OE1 GLU A 118 -39.619 21.177 -11.368 1.00 52.30 O ATOM 1783 OE2 GLU A 118 -39.719 19.659 -12.955 1.00 0.43 O1- ATOM 0 H GLU A 118 -37.544 19.495 -7.401 1.00 12.24 H new ATOM 0 HA GLU A 118 -40.142 18.494 -8.043 1.00 23.12 H new ATOM 0 HB2 GLU A 118 -38.806 20.244 -9.305 1.00 34.24 H new ATOM 0 HB3 GLU A 118 -37.737 18.966 -9.846 1.00 34.24 H new ATOM 0 HG2 GLU A 118 -39.410 17.948 -11.167 1.00 62.21 H new ATOM 0 HG3 GLU A 118 -40.710 18.771 -10.328 1.00 62.21 H new ATOM 1790 N LEU A 119 -39.865 16.128 -8.751 1.00 53.45 N ATOM 1791 CA LEU A 119 -39.735 14.697 -8.997 1.00 44.14 C ATOM 1792 C LEU A 119 -40.535 14.281 -10.227 1.00 13.41 C ATOM 1793 O LEU A 119 -41.456 14.973 -10.662 1.00 3.34 O ATOM 1794 CB LEU A 119 -40.206 13.904 -7.776 1.00 54.15 C ATOM 1795 CG LEU A 119 -39.169 13.692 -6.673 1.00 4.14 C ATOM 1796 CD1 LEU A 119 -39.098 14.910 -5.765 1.00 75.22 C ATOM 1797 CD2 LEU A 119 -39.495 12.442 -5.868 1.00 64.10 C ATOM 0 H LEU A 119 -40.825 16.473 -8.770 1.00 53.45 H new ATOM 0 HA LEU A 119 -38.683 14.479 -9.180 1.00 44.14 H new ATOM 0 HB2 LEU A 119 -41.066 14.416 -7.345 1.00 54.15 H new ATOM 0 HB3 LEU A 119 -40.553 12.927 -8.114 1.00 54.15 H new ATOM 0 HG LEU A 119 -38.193 13.556 -7.139 1.00 4.14 H new ATOM 0 HD11 LEU A 119 -38.355 14.740 -4.986 1.00 75.22 H new ATOM 0 HD12 LEU A 119 -38.816 15.785 -6.351 1.00 75.22 H new ATOM 0 HD13 LEU A 119 -40.072 15.079 -5.306 1.00 75.22 H new ATOM 0 HD21 LEU A 119 -38.747 12.307 -5.087 1.00 64.10 H new ATOM 0 HD22 LEU A 119 -40.479 12.549 -5.412 1.00 64.10 H new ATOM 0 HD23 LEU A 119 -39.493 11.574 -6.527 1.00 64.10 H new ATOM 1809 N PRO A 120 -40.179 13.122 -10.801 1.00 20.10 N ATOM 1810 CA PRO A 120 -40.853 12.586 -11.988 1.00 0.40 C ATOM 1811 C PRO A 120 -42.271 12.114 -11.685 1.00 11.03 C ATOM 1812 O PRO A 120 -42.671 11.975 -10.529 1.00 42.43 O ATOM 1813 CB PRO A 120 -39.971 11.403 -12.393 1.00 45.01 C ATOM 1814 CG PRO A 120 -39.293 10.987 -11.133 1.00 75.10 C ATOM 1815 CD PRO A 120 -39.092 12.246 -10.336 1.00 64.30 C ATOM 0 HA PRO A 120 -40.964 13.339 -12.768 1.00 0.40 H new ATOM 0 HB2 PRO A 120 -40.566 10.590 -12.809 1.00 45.01 H new ATOM 0 HB3 PRO A 120 -39.247 11.691 -13.155 1.00 45.01 H new ATOM 0 HG2 PRO A 120 -39.900 10.269 -10.582 1.00 75.10 H new ATOM 0 HG3 PRO A 120 -38.340 10.503 -11.344 1.00 75.10 H new ATOM 0 HD2 PRO A 120 -39.158 12.058 -9.264 1.00 64.30 H new ATOM 0 HD3 PRO A 120 -38.113 12.687 -10.522 1.00 64.30 H new ATOM 1823 N PRO A 121 -43.051 11.860 -12.746 1.00 13.45 N ATOM 1824 CA PRO A 121 -44.436 11.398 -12.619 1.00 63.41 C ATOM 1825 C PRO A 121 -44.525 9.971 -12.089 1.00 74.12 C ATOM 1826 O PRO A 121 -43.916 9.054 -12.640 1.00 70.11 O ATOM 1827 CB PRO A 121 -44.967 11.469 -14.053 1.00 51.31 C ATOM 1828 CG PRO A 121 -43.757 11.343 -14.912 1.00 10.41 C ATOM 1829 CD PRO A 121 -42.639 12.003 -14.153 1.00 53.13 C ATOM 0 HA PRO A 121 -45.003 12.001 -11.909 1.00 63.41 H new ATOM 0 HB2 PRO A 121 -45.679 10.668 -14.252 1.00 51.31 H new ATOM 0 HB3 PRO A 121 -45.487 12.409 -14.237 1.00 51.31 H new ATOM 0 HG2 PRO A 121 -43.528 10.296 -15.112 1.00 10.41 H new ATOM 0 HG3 PRO A 121 -43.912 11.826 -15.877 1.00 10.41 H new ATOM 0 HD2 PRO A 121 -41.682 11.517 -14.343 1.00 53.13 H new ATOM 0 HD3 PRO A 121 -42.526 13.050 -14.434 1.00 53.13 H new ATOM 1837 N GLY A 122 -45.288 9.789 -11.016 1.00 43.21 N ATOM 1838 CA GLY A 122 -45.443 8.471 -10.430 1.00 45.50 C ATOM 1839 C GLY A 122 -44.620 8.296 -9.170 1.00 61.31 C ATOM 1840 O GLY A 122 -44.635 7.232 -8.551 1.00 64.21 O ATOM 0 H GLY A 122 -45.802 10.532 -10.542 1.00 43.21 H new ATOM 0 HA2 GLY A 122 -46.495 8.301 -10.200 1.00 45.50 H new ATOM 0 HA3 GLY A 122 -45.150 7.716 -11.159 1.00 45.50 H new ATOM 1844 N VAL A 123 -43.897 9.344 -8.786 1.00 20.12 N ATOM 1845 CA VAL A 123 -43.063 9.303 -7.592 1.00 30.11 C ATOM 1846 C VAL A 123 -43.541 10.310 -6.552 1.00 42.43 C ATOM 1847 O VAL A 123 -44.015 11.392 -6.894 1.00 35.02 O ATOM 1848 CB VAL A 123 -41.587 9.589 -7.927 1.00 72.33 C ATOM 1849 CG1 VAL A 123 -40.731 9.521 -6.671 1.00 14.23 C ATOM 1850 CG2 VAL A 123 -41.081 8.614 -8.980 1.00 34.10 C ATOM 0 H VAL A 123 -43.873 10.233 -9.286 1.00 20.12 H new ATOM 0 HA VAL A 123 -43.146 8.296 -7.183 1.00 30.11 H new ATOM 0 HB VAL A 123 -41.514 10.598 -8.333 1.00 72.33 H new ATOM 0 HG11 VAL A 123 -39.692 9.726 -6.928 1.00 14.23 H new ATOM 0 HG12 VAL A 123 -41.080 10.262 -5.952 1.00 14.23 H new ATOM 0 HG13 VAL A 123 -40.807 8.526 -6.232 1.00 14.23 H new ATOM 0 HG21 VAL A 123 -40.037 8.831 -9.205 1.00 34.10 H new ATOM 0 HG22 VAL A 123 -41.167 7.595 -8.603 1.00 34.10 H new ATOM 0 HG23 VAL A 123 -41.676 8.717 -9.887 1.00 34.10 H new ATOM 1860 N ASN A 124 -43.413 9.945 -5.280 1.00 33.12 N ATOM 1861 CA ASN A 124 -43.832 10.819 -4.190 1.00 53.53 C ATOM 1862 C ASN A 124 -42.630 11.280 -3.370 1.00 53.12 C ATOM 1863 O ASN A 124 -42.606 12.401 -2.864 1.00 73.13 O ATOM 1864 CB ASN A 124 -44.832 10.095 -3.286 1.00 43.21 C ATOM 1865 CG ASN A 124 -46.071 9.648 -4.037 1.00 42.43 C ATOM 1866 OD1 ASN A 124 -46.318 10.080 -5.163 1.00 73.31 O ATOM 1867 ND2 ASN A 124 -46.857 8.778 -3.415 1.00 3.04 N ATOM 0 H ASN A 124 -43.023 9.052 -4.979 1.00 33.12 H new ATOM 0 HA ASN A 124 -44.312 11.696 -4.624 1.00 53.53 H new ATOM 0 HB2 ASN A 124 -44.350 9.227 -2.837 1.00 43.21 H new ATOM 0 HB3 ASN A 124 -45.124 10.755 -2.469 1.00 43.21 H new ATOM 0 HD21 ASN A 124 -47.705 8.441 -3.870 1.00 3.04 H new ATOM 0 HD22 ASN A 124 -46.613 8.447 -2.482 1.00 3.04 H new ATOM 1874 N GLN A 125 -41.636 10.406 -3.244 1.00 42.31 N ATOM 1875 CA GLN A 125 -40.431 10.725 -2.485 1.00 61.22 C ATOM 1876 C GLN A 125 -39.201 10.094 -3.129 1.00 32.52 C ATOM 1877 O GLN A 125 -39.316 9.236 -4.004 1.00 3.53 O ATOM 1878 CB GLN A 125 -40.571 10.242 -1.041 1.00 74.32 C ATOM 1879 CG GLN A 125 -41.403 11.167 -0.168 1.00 12.52 C ATOM 1880 CD GLN A 125 -42.677 10.512 0.327 1.00 12.21 C ATOM 1881 OE1 GLN A 125 -43.032 10.625 1.501 1.00 35.21 O ATOM 1882 NE2 GLN A 125 -43.375 9.822 -0.567 1.00 13.11 N ATOM 0 H GLN A 125 -41.641 9.473 -3.657 1.00 42.31 H new ATOM 0 HA GLN A 125 -40.305 11.808 -2.487 1.00 61.22 H new ATOM 0 HB2 GLN A 125 -41.024 9.251 -1.041 1.00 74.32 H new ATOM 0 HB3 GLN A 125 -39.578 10.139 -0.603 1.00 74.32 H new ATOM 0 HG2 GLN A 125 -40.807 11.487 0.687 1.00 12.52 H new ATOM 0 HG3 GLN A 125 -41.656 12.064 -0.733 1.00 12.52 H new ATOM 0 HE21 GLN A 125 -43.045 9.754 -1.530 1.00 13.11 H new ATOM 0 HE22 GLN A 125 -44.242 9.360 -0.291 1.00 13.11 H new ATOM 1891 N LEU A 126 -38.024 10.526 -2.690 1.00 13.13 N ATOM 1892 CA LEU A 126 -36.770 10.005 -3.224 1.00 42.24 C ATOM 1893 C LEU A 126 -35.698 9.950 -2.140 1.00 22.01 C ATOM 1894 O LEU A 126 -35.453 10.936 -1.444 1.00 4.43 O ATOM 1895 CB LEU A 126 -36.289 10.870 -4.390 1.00 14.10 C ATOM 1896 CG LEU A 126 -35.262 10.228 -5.324 1.00 62.41 C ATOM 1897 CD1 LEU A 126 -33.923 10.077 -4.620 1.00 34.22 C ATOM 1898 CD2 LEU A 126 -35.762 8.879 -5.819 1.00 54.24 C ATOM 0 H LEU A 126 -37.911 11.236 -1.966 1.00 13.13 H new ATOM 0 HA LEU A 126 -36.950 8.992 -3.583 1.00 42.24 H new ATOM 0 HB2 LEU A 126 -37.157 11.161 -4.982 1.00 14.10 H new ATOM 0 HB3 LEU A 126 -35.859 11.785 -3.984 1.00 14.10 H new ATOM 0 HG LEU A 126 -35.124 10.880 -6.186 1.00 62.41 H new ATOM 0 HD11 LEU A 126 -33.204 9.619 -5.299 1.00 34.22 H new ATOM 0 HD12 LEU A 126 -33.559 11.058 -4.315 1.00 34.22 H new ATOM 0 HD13 LEU A 126 -34.044 9.446 -3.740 1.00 34.22 H new ATOM 0 HD21 LEU A 126 -35.019 8.437 -6.482 1.00 54.24 H new ATOM 0 HD22 LEU A 126 -35.928 8.218 -4.968 1.00 54.24 H new ATOM 0 HD23 LEU A 126 -36.698 9.015 -6.362 1.00 54.24 H new ATOM 1910 N VAL A 127 -35.060 8.792 -2.004 1.00 20.53 N ATOM 1911 CA VAL A 127 -34.012 8.610 -1.007 1.00 45.13 C ATOM 1912 C VAL A 127 -32.946 7.640 -1.503 1.00 1.10 C ATOM 1913 O VAL A 127 -33.258 6.601 -2.085 1.00 14.25 O ATOM 1914 CB VAL A 127 -34.586 8.087 0.323 1.00 20.41 C ATOM 1915 CG1 VAL A 127 -35.251 6.734 0.123 1.00 10.03 C ATOM 1916 CG2 VAL A 127 -33.495 8.003 1.379 1.00 54.52 C ATOM 0 H VAL A 127 -35.251 7.966 -2.572 1.00 20.53 H new ATOM 0 HA VAL A 127 -33.561 9.588 -0.840 1.00 45.13 H new ATOM 0 HB VAL A 127 -35.343 8.789 0.672 1.00 20.41 H new ATOM 0 HG11 VAL A 127 -35.650 6.381 1.074 1.00 10.03 H new ATOM 0 HG12 VAL A 127 -36.063 6.831 -0.598 1.00 10.03 H new ATOM 0 HG13 VAL A 127 -34.517 6.020 -0.250 1.00 10.03 H new ATOM 0 HG21 VAL A 127 -33.919 7.632 2.312 1.00 54.52 H new ATOM 0 HG22 VAL A 127 -32.712 7.324 1.040 1.00 54.52 H new ATOM 0 HG23 VAL A 127 -33.070 8.993 1.543 1.00 54.52 H new ATOM 1926 N ARG A 128 -31.683 7.986 -1.268 1.00 4.20 N ATOM 1927 CA ARG A 128 -30.569 7.146 -1.691 1.00 61.44 C ATOM 1928 C ARG A 128 -29.669 6.800 -0.508 1.00 20.05 C ATOM 1929 O ARG A 128 -29.700 7.469 0.525 1.00 44.24 O ATOM 1930 CB ARG A 128 -29.756 7.852 -2.777 1.00 53.24 C ATOM 1931 CG ARG A 128 -30.576 8.246 -3.995 1.00 2.30 C ATOM 1932 CD ARG A 128 -30.012 9.487 -4.667 1.00 44.25 C ATOM 1933 NE ARG A 128 -30.585 9.699 -5.994 1.00 42.20 N ATOM 1934 CZ ARG A 128 -30.085 10.548 -6.884 1.00 12.20 C ATOM 1935 NH1 ARG A 128 -29.005 11.260 -6.592 1.00 23.30 N1+ ATOM 1936 NH2 ARG A 128 -30.663 10.684 -8.071 1.00 64.11 N ATOM 0 H ARG A 128 -31.407 8.842 -0.787 1.00 4.20 H new ATOM 0 HA ARG A 128 -30.977 6.220 -2.096 1.00 61.44 H new ATOM 0 HB2 ARG A 128 -29.299 8.746 -2.353 1.00 53.24 H new ATOM 0 HB3 ARG A 128 -28.943 7.198 -3.093 1.00 53.24 H new ATOM 0 HG2 ARG A 128 -30.592 7.421 -4.707 1.00 2.30 H new ATOM 0 HG3 ARG A 128 -31.608 8.430 -3.696 1.00 2.30 H new ATOM 0 HD2 ARG A 128 -30.210 10.359 -4.043 1.00 44.25 H new ATOM 0 HD3 ARG A 128 -28.929 9.394 -4.750 1.00 44.25 H new ATOM 0 HE ARG A 128 -31.415 9.165 -6.251 1.00 42.20 H new ATOM 0 HH11 ARG A 128 -28.556 11.156 -5.682 1.00 23.30 H new ATOM 0 HH12 ARG A 128 -28.623 11.911 -7.278 1.00 23.30 H new ATOM 0 HH21 ARG A 128 -31.492 10.136 -8.300 1.00 64.11 H new ATOM 0 HH22 ARG A 128 -30.278 11.337 -8.754 1.00 64.11 H new ATOM 1950 N VAL A 129 -28.869 5.750 -0.668 1.00 61.44 N ATOM 1951 CA VAL A 129 -27.960 5.316 0.385 1.00 71.52 C ATOM 1952 C VAL A 129 -26.508 5.399 -0.073 1.00 13.23 C ATOM 1953 O VAL A 129 -26.218 5.325 -1.267 1.00 34.03 O ATOM 1954 CB VAL A 129 -28.264 3.873 0.830 1.00 44.32 C ATOM 1955 CG1 VAL A 129 -27.508 3.536 2.106 1.00 3.32 C ATOM 1956 CG2 VAL A 129 -29.761 3.679 1.022 1.00 62.34 C ATOM 0 H VAL A 129 -28.833 5.185 -1.516 1.00 61.44 H new ATOM 0 HA VAL A 129 -28.111 5.988 1.229 1.00 71.52 H new ATOM 0 HB VAL A 129 -27.929 3.193 0.047 1.00 44.32 H new ATOM 0 HG11 VAL A 129 -27.736 2.513 2.404 1.00 3.32 H new ATOM 0 HG12 VAL A 129 -26.437 3.633 1.930 1.00 3.32 H new ATOM 0 HG13 VAL A 129 -27.809 4.221 2.899 1.00 3.32 H new ATOM 0 HG21 VAL A 129 -29.958 2.654 1.336 1.00 62.34 H new ATOM 0 HG22 VAL A 129 -30.122 4.368 1.785 1.00 62.34 H new ATOM 0 HG23 VAL A 129 -30.277 3.876 0.082 1.00 62.34 H new ATOM 1966 N TYR A 130 -25.600 5.554 0.884 1.00 2.33 N ATOM 1967 CA TYR A 130 -24.177 5.649 0.579 1.00 2.11 C ATOM 1968 C TYR A 130 -23.378 4.624 1.377 1.00 50.21 C ATOM 1969 O TYR A 130 -23.284 4.712 2.602 1.00 35.14 O ATOM 1970 CB TYR A 130 -23.663 7.059 0.879 1.00 54.22 C ATOM 1971 CG TYR A 130 -24.172 8.107 -0.085 1.00 50.10 C ATOM 1972 CD1 TYR A 130 -25.526 8.410 -0.160 1.00 41.25 C ATOM 1973 CD2 TYR A 130 -23.299 8.793 -0.920 1.00 64.34 C ATOM 1974 CE1 TYR A 130 -25.996 9.367 -1.040 1.00 42.45 C ATOM 1975 CE2 TYR A 130 -23.760 9.751 -1.802 1.00 13.34 C ATOM 1976 CZ TYR A 130 -25.108 10.034 -1.857 1.00 23.14 C ATOM 1977 OH TYR A 130 -25.572 10.988 -2.735 1.00 43.15 O ATOM 0 H TYR A 130 -25.824 5.617 1.877 1.00 2.33 H new ATOM 0 HA TYR A 130 -24.044 5.439 -0.482 1.00 2.11 H new ATOM 0 HB2 TYR A 130 -23.956 7.336 1.892 1.00 54.22 H new ATOM 0 HB3 TYR A 130 -22.573 7.053 0.853 1.00 54.22 H new ATOM 0 HD1 TYR A 130 -26.223 7.889 0.480 1.00 41.25 H new ATOM 0 HD2 TYR A 130 -22.242 8.574 -0.879 1.00 64.34 H new ATOM 0 HE1 TYR A 130 -27.052 9.591 -1.087 1.00 42.45 H new ATOM 0 HE2 TYR A 130 -23.068 10.275 -2.445 1.00 13.34 H new ATOM 0 HH TYR A 130 -24.819 11.365 -3.237 1.00 43.15 H new ATOM 1987 N ILE A 131 -22.806 3.652 0.676 1.00 62.14 N ATOM 1988 CA ILE A 131 -22.014 2.610 1.318 1.00 14.52 C ATOM 1989 C ILE A 131 -20.569 2.643 0.834 1.00 32.22 C ATOM 1990 O ILE A 131 -20.303 2.828 -0.353 1.00 50.11 O ATOM 1991 CB ILE A 131 -22.602 1.212 1.052 1.00 53.44 C ATOM 1992 CG1 ILE A 131 -23.852 0.989 1.906 1.00 75.34 C ATOM 1993 CG2 ILE A 131 -21.562 0.138 1.335 1.00 74.22 C ATOM 1994 CD1 ILE A 131 -25.139 1.014 1.111 1.00 41.20 C ATOM 0 H ILE A 131 -22.876 3.564 -0.338 1.00 62.14 H new ATOM 0 HA ILE A 131 -22.040 2.807 2.390 1.00 14.52 H new ATOM 0 HB ILE A 131 -22.887 1.147 0.002 1.00 53.44 H new ATOM 0 HG12 ILE A 131 -23.768 0.029 2.415 1.00 75.34 H new ATOM 0 HG13 ILE A 131 -23.896 1.757 2.678 1.00 75.34 H new ATOM 0 HG21 ILE A 131 -21.992 -0.845 1.143 1.00 74.22 H new ATOM 0 HG22 ILE A 131 -20.698 0.289 0.688 1.00 74.22 H new ATOM 0 HG23 ILE A 131 -21.250 0.200 2.378 1.00 74.22 H new ATOM 0 HD11 ILE A 131 -25.983 0.849 1.780 1.00 41.20 H new ATOM 0 HD12 ILE A 131 -25.246 1.983 0.623 1.00 41.20 H new ATOM 0 HD13 ILE A 131 -25.116 0.228 0.356 1.00 41.20 H new ATOM 2006 N VAL A 132 -19.636 2.458 1.764 1.00 41.23 N ATOM 2007 CA VAL A 132 -18.216 2.463 1.432 1.00 34.34 C ATOM 2008 C VAL A 132 -17.607 1.076 1.601 1.00 0.01 C ATOM 2009 O VAL A 132 -17.751 0.449 2.650 1.00 51.31 O ATOM 2010 CB VAL A 132 -17.438 3.463 2.309 1.00 61.21 C ATOM 2011 CG1 VAL A 132 -17.858 4.890 1.993 1.00 1.22 C ATOM 2012 CG2 VAL A 132 -17.647 3.152 3.783 1.00 73.24 C ATOM 0 H VAL A 132 -19.838 2.303 2.752 1.00 41.23 H new ATOM 0 HA VAL A 132 -18.136 2.767 0.388 1.00 34.34 H new ATOM 0 HB VAL A 132 -16.375 3.365 2.087 1.00 61.21 H new ATOM 0 HG11 VAL A 132 -17.298 5.582 2.622 1.00 1.22 H new ATOM 0 HG12 VAL A 132 -17.653 5.106 0.944 1.00 1.22 H new ATOM 0 HG13 VAL A 132 -18.924 5.007 2.186 1.00 1.22 H new ATOM 0 HG21 VAL A 132 -17.091 3.868 4.388 1.00 73.24 H new ATOM 0 HG22 VAL A 132 -18.708 3.222 4.023 1.00 73.24 H new ATOM 0 HG23 VAL A 132 -17.292 2.144 3.996 1.00 73.24 H new ATOM 2022 N GLN A 133 -16.927 0.603 0.561 1.00 42.41 N ATOM 2023 CA GLN A 133 -16.297 -0.711 0.595 1.00 12.41 C ATOM 2024 C GLN A 133 -14.980 -0.664 1.364 1.00 54.20 C ATOM 2025 O GLN A 133 -14.081 0.109 1.031 1.00 2.20 O ATOM 2026 CB GLN A 133 -16.053 -1.220 -0.827 1.00 71.20 C ATOM 2027 CG GLN A 133 -17.246 -1.946 -1.426 1.00 14.21 C ATOM 2028 CD GLN A 133 -18.526 -1.139 -1.336 1.00 65.31 C ATOM 2029 OE1 GLN A 133 -19.530 -1.603 -0.794 1.00 73.53 O ATOM 2030 NE2 GLN A 133 -18.498 0.078 -1.868 1.00 12.32 N ATOM 0 H GLN A 133 -16.799 1.110 -0.315 1.00 42.41 H new ATOM 0 HA GLN A 133 -16.972 -1.396 1.108 1.00 12.41 H new ATOM 0 HB2 GLN A 133 -15.793 -0.376 -1.466 1.00 71.20 H new ATOM 0 HB3 GLN A 133 -15.195 -1.892 -0.821 1.00 71.20 H new ATOM 0 HG2 GLN A 133 -17.039 -2.176 -2.471 1.00 14.21 H new ATOM 0 HG3 GLN A 133 -17.384 -2.897 -0.911 1.00 14.21 H new ATOM 0 HE21 GLN A 133 -17.645 0.423 -2.307 1.00 12.32 H new ATOM 0 HE22 GLN A 133 -19.330 0.667 -1.837 1.00 12.32 H new