USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=11 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 Set 1.1: A 63 LYS NZ :NH3+ -158:sc= 1.02 (180deg=0.492) USER MOD Set 1.2: A 93 THR OG1 : rot -47:sc= 1.12 USER MOD Single : A 9 HIS : no HD1:sc= -0.194 X(o=-0.19,f=-0.066) USER MOD Single : A 13 TYR OH : rot 30:sc= 0 USER MOD Single : A 15 SER OG : rot -120:sc= -0.946 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.238 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -112:sc= 0.141 USER MOD Single : A 33 ASN : amide:sc= -0.0657 X(o=-0.066,f=-0.066) USER MOD Single : A 41 ASN : amide:sc= -0.612 K(o=-0.61,f=-1.6) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0248 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 25:sc= 0.888 USER MOD Single : A 99 HIS : no HD1:sc= -0.384 K(o=-0.38,f=-0.92) USER MOD Single : A 106 HIS : no HD1:sc= -0.0753 K(o=-0.075,f=-0.81) USER MOD Single : A 109 LYS NZ :NH3+ -159:sc= -0.0349 (180deg=-0.282) USER MOD Single : A 112 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 124 ASN : amide:sc= 0.239 K(o=0.24,f=-0.77) USER MOD Single : A 125 GLN : amide:sc= -5.46 X(o=-5.5,f=-5.6!) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -1.32 K(o=-1.3,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 94 N HIS A 9 -14.523 1.773 -3.688 1.00 22.41 N ATOM 95 CA HIS A 9 -15.648 2.314 -4.443 1.00 40.14 C ATOM 96 C HIS A 9 -16.896 2.404 -3.570 1.00 0.44 C ATOM 97 O HIS A 9 -17.000 1.725 -2.548 1.00 31.34 O ATOM 98 CB HIS A 9 -15.930 1.446 -5.669 1.00 13.31 C ATOM 99 CG HIS A 9 -15.223 1.908 -6.906 1.00 14.24 C ATOM 100 ND1 HIS A 9 -14.741 1.042 -7.864 1.00 60.14 N ATOM 101 CD2 HIS A 9 -14.919 3.154 -7.339 1.00 65.44 C ATOM 102 CE1 HIS A 9 -14.170 1.735 -8.833 1.00 42.51 C ATOM 103 NE2 HIS A 9 -14.265 3.019 -8.539 1.00 14.34 N ATOM 0 HA HIS A 9 -15.384 3.319 -4.772 1.00 40.14 H new ATOM 0 HB2 HIS A 9 -15.634 0.420 -5.453 1.00 13.31 H new ATOM 0 HB3 HIS A 9 -17.004 1.435 -5.857 1.00 13.31 H new ATOM 0 HD2 HIS A 9 -15.148 4.081 -6.835 1.00 65.44 H new ATOM 0 HE1 HIS A 9 -13.705 1.322 -9.716 1.00 42.51 H new ATOM 0 HE2 HIS A 9 -13.910 3.786 -9.110 1.00 14.34 H new ATOM 111 N ILE A 10 -17.838 3.247 -3.979 1.00 62.41 N ATOM 112 CA ILE A 10 -19.078 3.425 -3.234 1.00 5.23 C ATOM 113 C ILE A 10 -20.277 2.924 -4.033 1.00 41.15 C ATOM 114 O ILE A 10 -20.328 3.077 -5.253 1.00 13.04 O ATOM 115 CB ILE A 10 -19.305 4.902 -2.863 1.00 51.44 C ATOM 116 CG1 ILE A 10 -18.183 5.398 -1.948 1.00 72.52 C ATOM 117 CG2 ILE A 10 -20.659 5.078 -2.192 1.00 54.40 C ATOM 118 CD1 ILE A 10 -18.259 6.879 -1.647 1.00 33.02 C ATOM 0 H ILE A 10 -17.766 3.817 -4.822 1.00 62.41 H new ATOM 0 HA ILE A 10 -18.983 2.839 -2.320 1.00 5.23 H new ATOM 0 HB ILE A 10 -19.294 5.497 -3.776 1.00 51.44 H new ATOM 0 HG12 ILE A 10 -18.217 4.843 -1.011 1.00 72.52 H new ATOM 0 HG13 ILE A 10 -17.222 5.179 -2.413 1.00 72.52 H new ATOM 0 HG21 ILE A 10 -20.804 6.127 -1.936 1.00 54.40 H new ATOM 0 HG22 ILE A 10 -21.447 4.758 -2.874 1.00 54.40 H new ATOM 0 HG23 ILE A 10 -20.697 4.475 -1.285 1.00 54.40 H new ATOM 0 HD11 ILE A 10 -17.433 7.160 -0.994 1.00 33.02 H new ATOM 0 HD12 ILE A 10 -18.194 7.443 -2.577 1.00 33.02 H new ATOM 0 HD13 ILE A 10 -19.205 7.102 -1.153 1.00 33.02 H new ATOM 130 N GLU A 11 -21.238 2.326 -3.337 1.00 14.33 N ATOM 131 CA GLU A 11 -22.436 1.803 -3.982 1.00 21.25 C ATOM 132 C GLU A 11 -23.464 2.910 -4.199 1.00 42.40 C ATOM 133 O GLU A 11 -23.326 4.011 -3.668 1.00 51.11 O ATOM 134 CB GLU A 11 -23.048 0.681 -3.140 1.00 50.43 C ATOM 135 CG GLU A 11 -22.682 -0.711 -3.622 1.00 44.11 C ATOM 136 CD GLU A 11 -23.095 -0.958 -5.061 1.00 11.42 C ATOM 137 OE1 GLU A 11 -24.281 -1.274 -5.291 1.00 55.02 O ATOM 138 OE2 GLU A 11 -22.232 -0.835 -5.955 1.00 31.51 O1- ATOM 0 H GLU A 11 -21.210 2.192 -2.326 1.00 14.33 H new ATOM 0 HA GLU A 11 -22.149 1.402 -4.954 1.00 21.25 H new ATOM 0 HB2 GLU A 11 -22.722 0.795 -2.106 1.00 50.43 H new ATOM 0 HB3 GLU A 11 -24.133 0.785 -3.146 1.00 50.43 H new ATOM 0 HG2 GLU A 11 -21.605 -0.853 -3.528 1.00 44.11 H new ATOM 0 HG3 GLU A 11 -23.159 -1.451 -2.979 1.00 44.11 H new ATOM 145 N GLU A 12 -24.494 2.609 -4.984 1.00 22.22 N ATOM 146 CA GLU A 12 -25.543 3.578 -5.273 1.00 35.34 C ATOM 147 C GLU A 12 -26.909 2.901 -5.330 1.00 30.44 C ATOM 148 O GLU A 12 -27.189 2.118 -6.239 1.00 41.32 O ATOM 149 CB GLU A 12 -25.260 4.292 -6.597 1.00 64.20 C ATOM 150 CG GLU A 12 -24.865 3.351 -7.722 1.00 75.35 C ATOM 151 CD GLU A 12 -24.471 4.087 -8.988 1.00 25.02 C ATOM 152 OE1 GLU A 12 -23.588 4.967 -8.912 1.00 51.50 O ATOM 153 OE2 GLU A 12 -25.048 3.785 -10.054 1.00 22.11 O1- ATOM 0 H GLU A 12 -24.624 1.701 -5.431 1.00 22.22 H new ATOM 0 HA GLU A 12 -25.554 4.313 -4.468 1.00 35.34 H new ATOM 0 HB2 GLU A 12 -26.147 4.850 -6.896 1.00 64.20 H new ATOM 0 HB3 GLU A 12 -24.462 5.019 -6.445 1.00 64.20 H new ATOM 0 HG2 GLU A 12 -24.032 2.728 -7.394 1.00 75.35 H new ATOM 0 HG3 GLU A 12 -25.697 2.682 -7.940 1.00 75.35 H new ATOM 160 N TYR A 13 -27.756 3.207 -4.353 1.00 22.50 N ATOM 161 CA TYR A 13 -29.091 2.625 -4.289 1.00 61.54 C ATOM 162 C TYR A 13 -30.161 3.698 -4.464 1.00 2.15 C ATOM 163 O TYR A 13 -30.028 4.811 -3.957 1.00 12.31 O ATOM 164 CB TYR A 13 -29.292 1.901 -2.956 1.00 3.33 C ATOM 165 CG TYR A 13 -28.523 0.604 -2.850 1.00 52.40 C ATOM 166 CD1 TYR A 13 -27.150 0.604 -2.633 1.00 2.40 C ATOM 167 CD2 TYR A 13 -29.168 -0.620 -2.966 1.00 44.14 C ATOM 168 CE1 TYR A 13 -26.442 -0.578 -2.536 1.00 40.42 C ATOM 169 CE2 TYR A 13 -28.468 -1.809 -2.868 1.00 2.10 C ATOM 170 CZ TYR A 13 -27.106 -1.782 -2.654 1.00 52.02 C ATOM 171 OH TYR A 13 -26.406 -2.962 -2.557 1.00 41.41 O ATOM 0 H TYR A 13 -27.541 3.855 -3.595 1.00 22.50 H new ATOM 0 HA TYR A 13 -29.186 1.906 -5.103 1.00 61.54 H new ATOM 0 HB2 TYR A 13 -28.988 2.561 -2.144 1.00 3.33 H new ATOM 0 HB3 TYR A 13 -30.354 1.696 -2.820 1.00 3.33 H new ATOM 0 HD1 TYR A 13 -26.628 1.545 -2.539 1.00 2.40 H new ATOM 0 HD2 TYR A 13 -30.234 -0.644 -3.136 1.00 44.14 H new ATOM 0 HE1 TYR A 13 -25.375 -0.560 -2.369 1.00 40.42 H new ATOM 0 HE2 TYR A 13 -28.985 -2.753 -2.959 1.00 2.10 H new ATOM 0 HH TYR A 13 -25.633 -2.836 -1.967 1.00 41.41 H new ATOM 181 N GLU A 14 -31.224 3.354 -5.187 1.00 51.13 N ATOM 182 CA GLU A 14 -32.316 4.288 -5.429 1.00 44.05 C ATOM 183 C GLU A 14 -33.612 3.784 -4.799 1.00 34.43 C ATOM 184 O GLU A 14 -33.833 2.578 -4.688 1.00 43.23 O ATOM 185 CB GLU A 14 -32.515 4.496 -6.932 1.00 41.01 C ATOM 186 CG GLU A 14 -32.816 5.936 -7.313 1.00 63.43 C ATOM 187 CD GLU A 14 -32.597 6.207 -8.789 1.00 53.14 C ATOM 188 OE1 GLU A 14 -31.455 6.544 -9.165 1.00 2.11 O ATOM 189 OE2 GLU A 14 -33.566 6.083 -9.566 1.00 40.11 O1- ATOM 0 H GLU A 14 -31.351 2.436 -5.614 1.00 51.13 H new ATOM 0 HA GLU A 14 -32.054 5.241 -4.969 1.00 44.05 H new ATOM 0 HB2 GLU A 14 -31.617 4.170 -7.457 1.00 41.01 H new ATOM 0 HB3 GLU A 14 -33.332 3.860 -7.273 1.00 41.01 H new ATOM 0 HG2 GLU A 14 -33.849 6.168 -7.054 1.00 63.43 H new ATOM 0 HG3 GLU A 14 -32.183 6.603 -6.727 1.00 63.43 H new ATOM 196 N SER A 15 -34.465 4.717 -4.388 1.00 45.22 N ATOM 197 CA SER A 15 -35.736 4.370 -3.764 1.00 21.12 C ATOM 198 C SER A 15 -36.697 5.555 -3.792 1.00 40.40 C ATOM 199 O SER A 15 -36.515 6.530 -3.065 1.00 61.11 O ATOM 200 CB SER A 15 -35.513 3.912 -2.322 1.00 50.55 C ATOM 201 OG SER A 15 -35.364 2.504 -2.251 1.00 60.35 O ATOM 0 H SER A 15 -34.299 5.719 -4.476 1.00 45.22 H new ATOM 0 HA SER A 15 -36.180 3.552 -4.332 1.00 21.12 H new ATOM 0 HB2 SER A 15 -34.624 4.396 -1.917 1.00 50.55 H new ATOM 0 HB3 SER A 15 -36.355 4.223 -1.704 1.00 50.55 H new ATOM 0 HG SER A 15 -36.065 2.129 -1.678 1.00 60.35 H new ATOM 207 N GLU A 16 -37.719 5.460 -4.636 1.00 11.34 N ATOM 208 CA GLU A 16 -38.709 6.525 -4.759 1.00 40.23 C ATOM 209 C GLU A 16 -40.125 5.967 -4.653 1.00 3.23 C ATOM 210 O GLU A 16 -40.444 4.940 -5.251 1.00 64.35 O ATOM 211 CB GLU A 16 -38.536 7.260 -6.090 1.00 4.30 C ATOM 212 CG GLU A 16 -39.091 6.499 -7.282 1.00 43.20 C ATOM 213 CD GLU A 16 -38.388 6.852 -8.578 1.00 63.23 C ATOM 214 OE1 GLU A 16 -37.495 7.726 -8.550 1.00 62.45 O ATOM 215 OE2 GLU A 16 -38.730 6.256 -9.621 1.00 71.20 O1- ATOM 0 H GLU A 16 -37.884 4.658 -5.244 1.00 11.34 H new ATOM 0 HA GLU A 16 -38.553 7.228 -3.941 1.00 40.23 H new ATOM 0 HB2 GLU A 16 -39.030 8.230 -6.027 1.00 4.30 H new ATOM 0 HB3 GLU A 16 -37.476 7.452 -6.254 1.00 4.30 H new ATOM 0 HG2 GLU A 16 -38.996 5.428 -7.101 1.00 43.20 H new ATOM 0 HG3 GLU A 16 -40.155 6.712 -7.381 1.00 43.20 H new ATOM 222 N ALA A 17 -40.968 6.651 -3.887 1.00 45.31 N ATOM 223 CA ALA A 17 -42.350 6.225 -3.704 1.00 31.31 C ATOM 224 C ALA A 17 -43.190 6.539 -4.938 1.00 53.14 C ATOM 225 O ALA A 17 -43.658 7.664 -5.111 1.00 52.54 O ATOM 226 CB ALA A 17 -42.948 6.890 -2.473 1.00 33.40 C ATOM 0 H ALA A 17 -40.718 7.502 -3.383 1.00 45.31 H new ATOM 0 HA ALA A 17 -42.355 5.145 -3.559 1.00 31.31 H new ATOM 0 HB1 ALA A 17 -43.980 6.563 -2.348 1.00 33.40 H new ATOM 0 HB2 ALA A 17 -42.370 6.611 -1.592 1.00 33.40 H new ATOM 0 HB3 ALA A 17 -42.923 7.973 -2.596 1.00 33.40 H new ATOM 232 N ARG A 18 -43.375 5.538 -5.792 1.00 33.11 N ATOM 233 CA ARG A 18 -44.156 5.708 -7.011 1.00 74.51 C ATOM 234 C ARG A 18 -45.643 5.501 -6.737 1.00 1.22 C ATOM 235 O ARG A 18 -46.023 4.663 -5.919 1.00 0.43 O ATOM 236 CB ARG A 18 -43.684 4.729 -8.086 1.00 24.01 C ATOM 237 CG ARG A 18 -42.184 4.767 -8.328 1.00 71.34 C ATOM 238 CD ARG A 18 -41.832 4.293 -9.730 1.00 21.32 C ATOM 239 NE ARG A 18 -40.444 3.850 -9.826 1.00 34.15 N ATOM 240 CZ ARG A 18 -39.991 2.728 -9.275 1.00 3.12 C ATOM 241 NH1 ARG A 18 -40.813 1.942 -8.592 1.00 25.32 N1+ ATOM 242 NH2 ARG A 18 -38.715 2.392 -9.407 1.00 33.24 N ATOM 0 H ARG A 18 -42.995 4.601 -5.662 1.00 33.11 H new ATOM 0 HA ARG A 18 -44.008 6.727 -7.368 1.00 74.51 H new ATOM 0 HB2 ARG A 18 -43.971 3.718 -7.796 1.00 24.01 H new ATOM 0 HB3 ARG A 18 -44.200 4.952 -9.020 1.00 24.01 H new ATOM 0 HG2 ARG A 18 -41.817 5.783 -8.184 1.00 71.34 H new ATOM 0 HG3 ARG A 18 -41.680 4.139 -7.593 1.00 71.34 H new ATOM 0 HD2 ARG A 18 -42.494 3.475 -10.013 1.00 21.32 H new ATOM 0 HD3 ARG A 18 -42.004 5.102 -10.440 1.00 21.32 H new ATOM 0 HE ARG A 18 -39.786 4.433 -10.344 1.00 34.15 H new ATOM 0 HH11 ARG A 18 -41.795 2.198 -8.489 1.00 25.32 H new ATOM 0 HH12 ARG A 18 -40.463 1.082 -8.170 1.00 25.32 H new ATOM 0 HH21 ARG A 18 -38.081 2.994 -9.931 1.00 33.24 H new ATOM 0 HH22 ARG A 18 -38.368 1.531 -8.984 1.00 33.24 H new ATOM 256 N ASP A 19 -46.479 6.270 -7.426 1.00 32.20 N ATOM 257 CA ASP A 19 -47.924 6.171 -7.257 1.00 41.34 C ATOM 258 C ASP A 19 -48.444 4.842 -7.798 1.00 44.41 C ATOM 259 O ASP A 19 -48.181 4.481 -8.946 1.00 5.35 O ATOM 260 CB ASP A 19 -48.623 7.333 -7.965 1.00 22.55 C ATOM 261 CG ASP A 19 -48.341 8.667 -7.304 1.00 73.34 C ATOM 262 OD1 ASP A 19 -48.785 8.866 -6.154 1.00 3.01 O ATOM 263 OD2 ASP A 19 -47.674 9.513 -7.936 1.00 24.34 O1- ATOM 0 H ASP A 19 -46.181 6.969 -8.107 1.00 32.20 H new ATOM 0 HA ASP A 19 -48.145 6.220 -6.191 1.00 41.34 H new ATOM 0 HB2 ASP A 19 -48.297 7.370 -9.005 1.00 22.55 H new ATOM 0 HB3 ASP A 19 -49.698 7.155 -7.974 1.00 22.55 H new ATOM 268 N THR A 20 -49.183 4.118 -6.963 1.00 61.12 N ATOM 269 CA THR A 20 -49.738 2.829 -7.356 1.00 12.12 C ATOM 270 C THR A 20 -51.032 3.004 -8.141 1.00 54.32 C ATOM 271 O THR A 20 -51.602 4.095 -8.184 1.00 54.42 O ATOM 272 CB THR A 20 -50.011 1.938 -6.129 1.00 40.23 C ATOM 273 OG1 THR A 20 -50.470 0.649 -6.553 1.00 70.42 O ATOM 274 CG2 THR A 20 -51.048 2.576 -5.217 1.00 72.02 C ATOM 0 H THR A 20 -49.411 4.403 -6.010 1.00 61.12 H new ATOM 0 HA THR A 20 -48.995 2.345 -7.990 1.00 12.12 H new ATOM 0 HB THR A 20 -49.080 1.828 -5.573 1.00 40.23 H new ATOM 0 HG1 THR A 20 -50.640 0.088 -5.768 1.00 70.42 H new ATOM 0 HG21 THR A 20 -51.224 1.929 -4.358 1.00 72.02 H new ATOM 0 HG22 THR A 20 -50.684 3.544 -4.873 1.00 72.02 H new ATOM 0 HG23 THR A 20 -51.980 2.713 -5.765 1.00 72.02 H new ATOM 282 N LYS A 21 -51.494 1.924 -8.763 1.00 3.44 N ATOM 283 CA LYS A 21 -52.722 1.956 -9.546 1.00 22.44 C ATOM 284 C LYS A 21 -53.932 1.633 -8.674 1.00 14.33 C ATOM 285 O LYS A 21 -55.049 1.494 -9.173 1.00 74.45 O ATOM 286 CB LYS A 21 -52.638 0.964 -10.708 1.00 24.43 C ATOM 287 CG LYS A 21 -52.373 -0.466 -10.267 1.00 51.34 C ATOM 288 CD LYS A 21 -53.602 -1.342 -10.450 1.00 33.02 C ATOM 289 CE LYS A 21 -53.692 -2.408 -9.368 1.00 63.52 C ATOM 290 NZ LYS A 21 -53.024 -3.673 -9.779 1.00 64.01 N1+ ATOM 0 H LYS A 21 -51.034 1.014 -8.739 1.00 3.44 H new ATOM 0 HA LYS A 21 -52.842 2.963 -9.945 1.00 22.44 H new ATOM 0 HB2 LYS A 21 -53.571 0.995 -11.270 1.00 24.43 H new ATOM 0 HB3 LYS A 21 -51.846 1.279 -11.387 1.00 24.43 H new ATOM 0 HG2 LYS A 21 -51.543 -0.877 -10.842 1.00 51.34 H new ATOM 0 HG3 LYS A 21 -52.071 -0.475 -9.220 1.00 51.34 H new ATOM 0 HD2 LYS A 21 -54.499 -0.722 -10.428 1.00 33.02 H new ATOM 0 HD3 LYS A 21 -53.568 -1.818 -11.430 1.00 33.02 H new ATOM 0 HE2 LYS A 21 -53.233 -2.036 -8.452 1.00 63.52 H new ATOM 0 HE3 LYS A 21 -54.739 -2.607 -9.141 1.00 63.52 H new ATOM 0 HZ1 LYS A 21 -53.107 -4.374 -9.015 1.00 64.01 H new ATOM 0 HZ2 LYS A 21 -53.478 -4.042 -10.638 1.00 64.01 H new ATOM 0 HZ3 LYS A 21 -52.019 -3.488 -9.971 1.00 64.01 H new ATOM 304 N LEU A 22 -53.701 1.516 -7.371 1.00 11.11 N ATOM 305 CA LEU A 22 -54.773 1.211 -6.429 1.00 62.04 C ATOM 306 C LEU A 22 -55.215 2.466 -5.682 1.00 2.31 C ATOM 307 O LEU A 22 -56.148 2.427 -4.881 1.00 51.15 O ATOM 308 CB LEU A 22 -54.314 0.146 -5.432 1.00 32.22 C ATOM 309 CG LEU A 22 -55.305 -0.987 -5.158 1.00 53.13 C ATOM 310 CD1 LEU A 22 -56.606 -0.434 -4.599 1.00 24.41 C ATOM 311 CD2 LEU A 22 -55.563 -1.788 -6.425 1.00 34.53 C ATOM 0 H LEU A 22 -52.782 1.628 -6.943 1.00 11.11 H new ATOM 0 HA LEU A 22 -55.623 0.829 -6.995 1.00 62.04 H new ATOM 0 HB2 LEU A 22 -53.385 -0.291 -5.799 1.00 32.22 H new ATOM 0 HB3 LEU A 22 -54.083 0.637 -4.487 1.00 32.22 H new ATOM 0 HG LEU A 22 -54.869 -1.654 -4.414 1.00 53.13 H new ATOM 0 HD11 LEU A 22 -57.299 -1.254 -4.410 1.00 24.41 H new ATOM 0 HD12 LEU A 22 -56.406 0.094 -3.667 1.00 24.41 H new ATOM 0 HD13 LEU A 22 -57.047 0.255 -5.319 1.00 24.41 H new ATOM 0 HD21 LEU A 22 -56.270 -2.589 -6.211 1.00 34.53 H new ATOM 0 HD22 LEU A 22 -55.978 -1.133 -7.191 1.00 34.53 H new ATOM 0 HD23 LEU A 22 -54.626 -2.216 -6.782 1.00 34.53 H new ATOM 323 N GLY A 23 -54.539 3.578 -5.953 1.00 52.15 N ATOM 324 CA GLY A 23 -54.878 4.829 -5.300 1.00 43.34 C ATOM 325 C GLY A 23 -54.057 5.071 -4.048 1.00 14.33 C ATOM 326 O GLY A 23 -54.520 4.867 -2.927 1.00 42.31 O ATOM 0 H GLY A 23 -53.763 3.635 -6.613 1.00 52.15 H new ATOM 0 HA2 GLY A 23 -54.723 5.653 -5.997 1.00 43.34 H new ATOM 0 HA3 GLY A 23 -55.937 4.825 -5.041 1.00 43.34 H new ATOM 330 N PRO A 24 -52.805 5.516 -4.235 1.00 42.45 N ATOM 331 CA PRO A 24 -51.891 5.794 -3.124 1.00 55.11 C ATOM 332 C PRO A 24 -52.311 7.021 -2.320 1.00 31.25 C ATOM 333 O PRO A 24 -53.183 7.779 -2.741 1.00 23.44 O ATOM 334 CB PRO A 24 -50.551 6.046 -3.820 1.00 4.11 C ATOM 335 CG PRO A 24 -50.917 6.506 -5.190 1.00 61.03 C ATOM 336 CD PRO A 24 -52.187 5.781 -5.544 1.00 45.53 C ATOM 0 HA PRO A 24 -51.866 4.976 -2.404 1.00 55.11 H new ATOM 0 HB2 PRO A 24 -49.966 6.799 -3.292 1.00 4.11 H new ATOM 0 HB3 PRO A 24 -49.946 5.140 -3.855 1.00 4.11 H new ATOM 0 HG2 PRO A 24 -51.064 7.586 -5.213 1.00 61.03 H new ATOM 0 HG3 PRO A 24 -50.125 6.277 -5.903 1.00 61.03 H new ATOM 0 HD2 PRO A 24 -52.833 6.388 -6.178 1.00 45.53 H new ATOM 0 HD3 PRO A 24 -51.985 4.858 -6.087 1.00 45.53 H new ATOM 344 N GLU A 25 -51.684 7.207 -1.163 1.00 30.43 N ATOM 345 CA GLU A 25 -51.995 8.342 -0.301 1.00 61.13 C ATOM 346 C GLU A 25 -50.726 8.921 0.316 1.00 2.52 C ATOM 347 O GLU A 25 -50.529 10.134 0.332 1.00 75.32 O ATOM 348 CB GLU A 25 -52.966 7.920 0.804 1.00 32.13 C ATOM 349 CG GLU A 25 -54.422 7.918 0.367 1.00 54.54 C ATOM 350 CD GLU A 25 -55.352 7.394 1.443 1.00 55.02 C ATOM 351 OE1 GLU A 25 -55.333 6.172 1.703 1.00 54.21 O ATOM 352 OE2 GLU A 25 -56.101 8.206 2.026 1.00 12.11 O1- ATOM 0 H GLU A 25 -50.959 6.588 -0.801 1.00 30.43 H new ATOM 0 HA GLU A 25 -52.464 9.112 -0.913 1.00 61.13 H new ATOM 0 HB2 GLU A 25 -52.698 6.922 1.150 1.00 32.13 H new ATOM 0 HB3 GLU A 25 -52.851 8.593 1.654 1.00 32.13 H new ATOM 0 HG2 GLU A 25 -54.718 8.932 0.098 1.00 54.54 H new ATOM 0 HG3 GLU A 25 -54.528 7.307 -0.529 1.00 54.54 H new ATOM 359 N GLU A 26 -49.867 8.041 0.824 1.00 43.40 N ATOM 360 CA GLU A 26 -48.617 8.464 1.445 1.00 42.11 C ATOM 361 C GLU A 26 -47.703 7.269 1.698 1.00 25.51 C ATOM 362 O GLU A 26 -48.171 6.150 1.908 1.00 40.12 O ATOM 363 CB GLU A 26 -48.897 9.195 2.760 1.00 74.23 C ATOM 364 CG GLU A 26 -49.316 8.272 3.891 1.00 70.14 C ATOM 365 CD GLU A 26 -50.264 8.940 4.868 1.00 31.34 C ATOM 366 OE1 GLU A 26 -51.119 9.732 4.419 1.00 24.24 O ATOM 367 OE2 GLU A 26 -50.151 8.671 6.082 1.00 61.41 O1- ATOM 0 H GLU A 26 -50.014 7.032 0.817 1.00 43.40 H new ATOM 0 HA GLU A 26 -48.113 9.145 0.760 1.00 42.11 H new ATOM 0 HB2 GLU A 26 -48.003 9.741 3.060 1.00 74.23 H new ATOM 0 HB3 GLU A 26 -49.681 9.934 2.596 1.00 74.23 H new ATOM 0 HG2 GLU A 26 -49.795 7.386 3.474 1.00 70.14 H new ATOM 0 HG3 GLU A 26 -48.429 7.933 4.426 1.00 70.14 H new ATOM 374 N ILE A 27 -46.397 7.515 1.675 1.00 34.23 N ATOM 375 CA ILE A 27 -45.418 6.460 1.903 1.00 51.54 C ATOM 376 C ILE A 27 -45.257 6.171 3.391 1.00 3.43 C ATOM 377 O ILE A 27 -45.360 7.072 4.225 1.00 75.14 O ATOM 378 CB ILE A 27 -44.045 6.829 1.311 1.00 31.11 C ATOM 379 CG1 ILE A 27 -43.183 5.577 1.145 1.00 64.55 C ATOM 380 CG2 ILE A 27 -43.343 7.848 2.197 1.00 22.12 C ATOM 381 CD1 ILE A 27 -41.788 5.866 0.634 1.00 33.44 C ATOM 0 H ILE A 27 -45.993 8.435 1.501 1.00 34.23 H new ATOM 0 HA ILE A 27 -45.793 5.568 1.401 1.00 51.54 H new ATOM 0 HB ILE A 27 -44.198 7.274 0.328 1.00 31.11 H new ATOM 0 HG12 ILE A 27 -43.111 5.066 2.105 1.00 64.55 H new ATOM 0 HG13 ILE A 27 -43.679 4.893 0.456 1.00 64.55 H new ATOM 0 HG21 ILE A 27 -42.374 8.099 1.766 1.00 22.12 H new ATOM 0 HG22 ILE A 27 -43.952 8.749 2.269 1.00 22.12 H new ATOM 0 HG23 ILE A 27 -43.199 7.427 3.192 1.00 22.12 H new ATOM 0 HD11 ILE A 27 -41.234 4.932 0.541 1.00 33.44 H new ATOM 0 HD12 ILE A 27 -41.851 6.350 -0.341 1.00 33.44 H new ATOM 0 HD13 ILE A 27 -41.274 6.525 1.334 1.00 33.44 H new ATOM 393 N THR A 28 -45.001 4.909 3.720 1.00 23.51 N ATOM 394 CA THR A 28 -44.824 4.501 5.108 1.00 45.35 C ATOM 395 C THR A 28 -43.927 3.271 5.209 1.00 32.33 C ATOM 396 O THR A 28 -43.383 2.805 4.208 1.00 33.43 O ATOM 397 CB THR A 28 -46.176 4.193 5.779 1.00 53.03 C ATOM 398 OG1 THR A 28 -46.007 4.102 7.198 1.00 4.11 O ATOM 399 CG2 THR A 28 -46.761 2.893 5.247 1.00 21.31 C ATOM 0 H THR A 28 -44.912 4.151 3.043 1.00 23.51 H new ATOM 0 HA THR A 28 -44.351 5.336 5.626 1.00 45.35 H new ATOM 0 HB THR A 28 -46.866 5.004 5.547 1.00 53.03 H new ATOM 0 HG1 THR A 28 -46.153 3.177 7.486 1.00 4.11 H new ATOM 0 HG21 THR A 28 -47.715 2.697 5.736 1.00 21.31 H new ATOM 0 HG22 THR A 28 -46.915 2.977 4.171 1.00 21.31 H new ATOM 0 HG23 THR A 28 -46.073 2.073 5.453 1.00 21.31 H new ATOM 407 N ARG A 29 -43.779 2.752 6.424 1.00 14.42 N ATOM 408 CA ARG A 29 -42.947 1.577 6.655 1.00 74.04 C ATOM 409 C ARG A 29 -43.753 0.464 7.319 1.00 61.04 C ATOM 410 O ARG A 29 -44.299 0.643 8.407 1.00 23.41 O ATOM 411 CB ARG A 29 -41.745 1.941 7.529 1.00 13.44 C ATOM 412 CG ARG A 29 -42.114 2.730 8.774 1.00 21.03 C ATOM 413 CD ARG A 29 -41.340 2.246 9.990 1.00 15.43 C ATOM 414 NE ARG A 29 -42.014 2.591 11.240 1.00 11.32 N ATOM 415 CZ ARG A 29 -43.038 1.906 11.736 1.00 74.13 C ATOM 416 NH1 ARG A 29 -43.504 0.844 11.093 1.00 53.55 N1+ ATOM 417 NH2 ARG A 29 -43.597 2.281 12.879 1.00 74.03 N ATOM 0 H ARG A 29 -44.224 3.126 7.262 1.00 14.42 H new ATOM 0 HA ARG A 29 -42.590 1.219 5.689 1.00 74.04 H new ATOM 0 HB2 ARG A 29 -41.233 1.026 7.827 1.00 13.44 H new ATOM 0 HB3 ARG A 29 -41.039 2.523 6.937 1.00 13.44 H new ATOM 0 HG2 ARG A 29 -41.910 3.788 8.609 1.00 21.03 H new ATOM 0 HG3 ARG A 29 -43.184 2.637 8.961 1.00 21.03 H new ATOM 0 HD2 ARG A 29 -41.213 1.165 9.933 1.00 15.43 H new ATOM 0 HD3 ARG A 29 -40.342 2.685 9.983 1.00 15.43 H new ATOM 0 HE ARG A 29 -41.680 3.402 11.760 1.00 11.32 H new ATOM 0 HH11 ARG A 29 -43.076 0.551 10.215 1.00 53.55 H new ATOM 0 HH12 ARG A 29 -44.291 0.320 11.477 1.00 53.55 H new ATOM 0 HH21 ARG A 29 -43.240 3.096 13.378 1.00 74.03 H new ATOM 0 HH22 ARG A 29 -44.383 1.754 13.259 1.00 74.03 H new ATOM 431 N ASP A 30 -43.823 -0.685 6.654 1.00 64.35 N ATOM 432 CA ASP A 30 -44.562 -1.828 7.179 1.00 0.23 C ATOM 433 C ASP A 30 -43.906 -3.139 6.754 1.00 34.02 C ATOM 434 O ASP A 30 -44.195 -3.669 5.680 1.00 14.01 O ATOM 435 CB ASP A 30 -46.013 -1.789 6.697 1.00 31.35 C ATOM 436 CG ASP A 30 -46.796 -3.015 7.122 1.00 31.41 C ATOM 437 OD1 ASP A 30 -46.626 -4.077 6.486 1.00 64.23 O ATOM 438 OD2 ASP A 30 -47.578 -2.914 8.090 1.00 50.33 O1- ATOM 0 H ASP A 30 -43.377 -0.849 5.751 1.00 64.35 H new ATOM 0 HA ASP A 30 -44.548 -1.771 8.267 1.00 0.23 H new ATOM 0 HB2 ASP A 30 -46.500 -0.896 7.090 1.00 31.35 H new ATOM 0 HB3 ASP A 30 -46.030 -1.709 5.610 1.00 31.35 H new ATOM 443 N ILE A 31 -43.024 -3.655 7.602 1.00 63.23 N ATOM 444 CA ILE A 31 -42.328 -4.903 7.314 1.00 25.31 C ATOM 445 C ILE A 31 -42.497 -5.902 8.454 1.00 64.24 C ATOM 446 O ILE A 31 -41.630 -6.053 9.314 1.00 20.01 O ATOM 447 CB ILE A 31 -40.826 -4.668 7.071 1.00 73.13 C ATOM 448 CG1 ILE A 31 -40.622 -3.604 5.991 1.00 24.14 C ATOM 449 CG2 ILE A 31 -40.143 -5.969 6.678 1.00 43.12 C ATOM 450 CD1 ILE A 31 -40.574 -2.192 6.533 1.00 71.21 C ATOM 0 H ILE A 31 -42.774 -3.229 8.494 1.00 63.23 H new ATOM 0 HA ILE A 31 -42.774 -5.311 6.407 1.00 25.31 H new ATOM 0 HB ILE A 31 -40.375 -4.310 7.996 1.00 73.13 H new ATOM 0 HG12 ILE A 31 -39.694 -3.812 5.459 1.00 24.14 H new ATOM 0 HG13 ILE A 31 -41.430 -3.678 5.263 1.00 24.14 H new ATOM 0 HG21 ILE A 31 -39.082 -5.786 6.510 1.00 43.12 H new ATOM 0 HG22 ILE A 31 -40.263 -6.699 7.478 1.00 43.12 H new ATOM 0 HG23 ILE A 31 -40.594 -6.355 5.764 1.00 43.12 H new ATOM 0 HD11 ILE A 31 -40.427 -1.492 5.711 1.00 71.21 H new ATOM 0 HD12 ILE A 31 -41.512 -1.965 7.040 1.00 71.21 H new ATOM 0 HD13 ILE A 31 -39.748 -2.101 7.239 1.00 71.21 H new ATOM 462 N PRO A 32 -43.641 -6.603 8.462 1.00 34.15 N ATOM 463 CA PRO A 32 -43.950 -7.601 9.490 1.00 63.53 C ATOM 464 C PRO A 32 -43.075 -8.845 9.371 1.00 74.13 C ATOM 465 O PRO A 32 -42.491 -9.106 8.321 1.00 52.54 O ATOM 466 CB PRO A 32 -45.414 -7.950 9.216 1.00 61.33 C ATOM 467 CG PRO A 32 -45.613 -7.646 7.771 1.00 72.25 C ATOM 468 CD PRO A 32 -44.720 -6.474 7.469 1.00 11.40 C ATOM 0 HA PRO A 32 -43.769 -7.221 10.495 1.00 63.53 H new ATOM 0 HB2 PRO A 32 -45.618 -8.999 9.431 1.00 61.33 H new ATOM 0 HB3 PRO A 32 -46.085 -7.360 9.841 1.00 61.33 H new ATOM 0 HG2 PRO A 32 -45.353 -8.505 7.152 1.00 72.25 H new ATOM 0 HG3 PRO A 32 -46.656 -7.406 7.562 1.00 72.25 H new ATOM 0 HD2 PRO A 32 -44.335 -6.514 6.450 1.00 11.40 H new ATOM 0 HD3 PRO A 32 -45.250 -5.527 7.573 1.00 11.40 H new ATOM 476 N ASN A 33 -42.989 -9.607 10.457 1.00 71.22 N ATOM 477 CA ASN A 33 -42.184 -10.824 10.474 1.00 2.45 C ATOM 478 C ASN A 33 -40.705 -10.499 10.286 1.00 2.05 C ATOM 479 O ASN A 33 -39.899 -11.379 9.980 1.00 32.14 O ATOM 480 CB ASN A 33 -42.650 -11.784 9.379 1.00 52.30 C ATOM 481 CG ASN A 33 -44.161 -11.908 9.323 1.00 14.10 C ATOM 482 OD1 ASN A 33 -44.807 -12.209 10.327 1.00 31.13 O ATOM 483 ND2 ASN A 33 -44.730 -11.676 8.145 1.00 31.33 N ATOM 0 H ASN A 33 -43.466 -9.404 11.335 1.00 71.22 H new ATOM 0 HA ASN A 33 -42.313 -11.302 11.445 1.00 2.45 H new ATOM 0 HB2 ASN A 33 -42.281 -11.437 8.414 1.00 52.30 H new ATOM 0 HB3 ASN A 33 -42.214 -12.768 9.552 1.00 52.30 H new ATOM 0 HD21 ASN A 33 -45.743 -11.744 8.046 1.00 31.33 H new ATOM 0 HD22 ASN A 33 -44.154 -11.429 7.340 1.00 31.33 H new ATOM 490 N VAL A 34 -40.353 -9.231 10.473 1.00 34.42 N ATOM 491 CA VAL A 34 -38.971 -8.791 10.326 1.00 3.55 C ATOM 492 C VAL A 34 -38.203 -8.948 11.633 1.00 63.25 C ATOM 493 O VAL A 34 -38.792 -8.976 12.712 1.00 72.34 O ATOM 494 CB VAL A 34 -38.896 -7.320 9.872 1.00 61.54 C ATOM 495 CG1 VAL A 34 -39.307 -6.391 11.004 1.00 74.44 C ATOM 496 CG2 VAL A 34 -37.496 -6.988 9.379 1.00 63.24 C ATOM 0 H VAL A 34 -41.006 -8.490 10.727 1.00 34.42 H new ATOM 0 HA VAL A 34 -38.516 -9.423 9.563 1.00 3.55 H new ATOM 0 HB VAL A 34 -39.592 -7.175 9.046 1.00 61.54 H new ATOM 0 HG11 VAL A 34 -39.248 -5.357 10.665 1.00 74.44 H new ATOM 0 HG12 VAL A 34 -40.330 -6.616 11.306 1.00 74.44 H new ATOM 0 HG13 VAL A 34 -38.638 -6.534 11.853 1.00 74.44 H new ATOM 0 HG21 VAL A 34 -37.460 -5.946 9.062 1.00 63.24 H new ATOM 0 HG22 VAL A 34 -36.779 -7.148 10.185 1.00 63.24 H new ATOM 0 HG23 VAL A 34 -37.245 -7.632 8.537 1.00 63.24 H new ATOM 506 N GLY A 35 -36.881 -9.051 11.527 1.00 71.54 N ATOM 507 CA GLY A 35 -36.053 -9.204 12.708 1.00 61.21 C ATOM 508 C GLY A 35 -35.926 -7.917 13.498 1.00 63.23 C ATOM 509 O GLY A 35 -35.776 -6.840 12.922 1.00 50.52 O ATOM 0 H GLY A 35 -36.370 -9.031 10.645 1.00 71.54 H new ATOM 0 HA2 GLY A 35 -36.477 -9.979 13.347 1.00 61.21 H new ATOM 0 HA3 GLY A 35 -35.061 -9.544 12.411 1.00 61.21 H new ATOM 513 N GLU A 36 -35.987 -8.028 14.821 1.00 25.34 N ATOM 514 CA GLU A 36 -35.880 -6.861 15.691 1.00 23.30 C ATOM 515 C GLU A 36 -34.567 -6.122 15.451 1.00 75.14 C ATOM 516 O GLU A 36 -34.505 -4.897 15.551 1.00 34.31 O ATOM 517 CB GLU A 36 -35.981 -7.282 17.159 1.00 11.14 C ATOM 518 CG GLU A 36 -37.388 -7.662 17.589 1.00 41.24 C ATOM 519 CD GLU A 36 -37.404 -8.555 18.814 1.00 1.32 C ATOM 520 OE1 GLU A 36 -36.469 -8.451 19.635 1.00 11.12 O ATOM 521 OE2 GLU A 36 -38.352 -9.356 18.950 1.00 24.50 O1- ATOM 0 H GLU A 36 -36.110 -8.912 15.314 1.00 25.34 H new ATOM 0 HA GLU A 36 -36.704 -6.187 15.456 1.00 23.30 H new ATOM 0 HB2 GLU A 36 -35.317 -8.129 17.332 1.00 11.14 H new ATOM 0 HB3 GLU A 36 -35.626 -6.465 17.788 1.00 11.14 H new ATOM 0 HG2 GLU A 36 -37.957 -6.756 17.797 1.00 41.24 H new ATOM 0 HG3 GLU A 36 -37.890 -8.171 16.766 1.00 41.24 H new ATOM 528 N ASP A 37 -33.520 -6.876 15.137 1.00 22.02 N ATOM 529 CA ASP A 37 -32.207 -6.294 14.882 1.00 32.15 C ATOM 530 C ASP A 37 -32.214 -5.484 13.589 1.00 14.55 C ATOM 531 O ASP A 37 -31.522 -4.473 13.475 1.00 61.42 O ATOM 532 CB ASP A 37 -31.145 -7.392 14.805 1.00 75.52 C ATOM 533 CG ASP A 37 -29.737 -6.832 14.742 1.00 61.23 C ATOM 534 OD1 ASP A 37 -29.464 -6.018 13.836 1.00 2.44 O ATOM 535 OD2 ASP A 37 -28.910 -7.208 15.599 1.00 44.23 O1- ATOM 0 H ASP A 37 -33.554 -7.892 15.053 1.00 22.02 H new ATOM 0 HA ASP A 37 -31.967 -5.625 15.708 1.00 32.15 H new ATOM 0 HB2 ASP A 37 -31.236 -8.043 15.675 1.00 75.52 H new ATOM 0 HB3 ASP A 37 -31.327 -8.009 13.925 1.00 75.52 H new ATOM 540 N ALA A 38 -32.998 -5.937 12.617 1.00 41.12 N ATOM 541 CA ALA A 38 -33.095 -5.255 11.333 1.00 33.22 C ATOM 542 C ALA A 38 -33.731 -3.878 11.490 1.00 61.11 C ATOM 543 O ALA A 38 -33.539 -2.995 10.652 1.00 73.30 O ATOM 544 CB ALA A 38 -33.891 -6.097 10.346 1.00 54.45 C ATOM 0 H ALA A 38 -33.576 -6.774 12.694 1.00 41.12 H new ATOM 0 HA ALA A 38 -32.086 -5.118 10.945 1.00 33.22 H new ATOM 0 HB1 ALA A 38 -33.955 -5.575 9.391 1.00 54.45 H new ATOM 0 HB2 ALA A 38 -33.394 -7.056 10.202 1.00 54.45 H new ATOM 0 HB3 ALA A 38 -34.895 -6.264 10.737 1.00 54.45 H new ATOM 550 N LEU A 39 -34.489 -3.700 12.567 1.00 44.35 N ATOM 551 CA LEU A 39 -35.154 -2.430 12.834 1.00 51.12 C ATOM 552 C LEU A 39 -34.606 -1.784 14.102 1.00 25.44 C ATOM 553 O LEU A 39 -35.212 -0.864 14.654 1.00 75.32 O ATOM 554 CB LEU A 39 -36.664 -2.639 12.964 1.00 75.42 C ATOM 555 CG LEU A 39 -37.111 -3.664 14.006 1.00 63.45 C ATOM 556 CD1 LEU A 39 -37.222 -3.017 15.378 1.00 3.12 C ATOM 557 CD2 LEU A 39 -38.436 -4.292 13.602 1.00 33.13 C ATOM 0 H LEU A 39 -34.658 -4.420 13.270 1.00 44.35 H new ATOM 0 HA LEU A 39 -34.958 -1.762 11.995 1.00 51.12 H new ATOM 0 HB2 LEU A 39 -37.124 -1.681 13.205 1.00 75.42 H new ATOM 0 HB3 LEU A 39 -37.054 -2.944 11.993 1.00 75.42 H new ATOM 0 HG LEU A 39 -36.359 -4.452 14.058 1.00 63.45 H new ATOM 0 HD11 LEU A 39 -37.541 -3.762 16.107 1.00 3.12 H new ATOM 0 HD12 LEU A 39 -36.252 -2.616 15.671 1.00 3.12 H new ATOM 0 HD13 LEU A 39 -37.953 -2.209 15.341 1.00 3.12 H new ATOM 0 HD21 LEU A 39 -38.739 -5.019 14.355 1.00 33.13 H new ATOM 0 HD22 LEU A 39 -39.197 -3.516 13.521 1.00 33.13 H new ATOM 0 HD23 LEU A 39 -38.323 -4.792 12.640 1.00 33.13 H new ATOM 569 N ARG A 40 -33.458 -2.271 14.560 1.00 20.52 N ATOM 570 CA ARG A 40 -32.828 -1.741 15.764 1.00 43.52 C ATOM 571 C ARG A 40 -32.268 -0.345 15.514 1.00 33.33 C ATOM 572 O ARG A 40 -32.230 0.491 16.417 1.00 61.33 O ATOM 573 CB ARG A 40 -31.712 -2.675 16.234 1.00 31.43 C ATOM 574 CG ARG A 40 -30.438 -2.561 15.414 1.00 41.24 C ATOM 575 CD ARG A 40 -29.516 -3.749 15.648 1.00 43.45 C ATOM 576 NE ARG A 40 -28.613 -3.525 16.775 1.00 63.04 N ATOM 577 CZ ARG A 40 -27.478 -4.193 16.950 1.00 32.22 C ATOM 578 NH1 ARG A 40 -27.110 -5.121 16.078 1.00 22.50 N1+ ATOM 579 NH2 ARG A 40 -26.710 -3.933 17.999 1.00 20.05 N ATOM 0 H ARG A 40 -32.944 -3.032 14.116 1.00 20.52 H new ATOM 0 HA ARG A 40 -33.588 -1.674 16.543 1.00 43.52 H new ATOM 0 HB2 ARG A 40 -31.483 -2.458 17.277 1.00 31.43 H new ATOM 0 HB3 ARG A 40 -32.069 -3.704 16.193 1.00 31.43 H new ATOM 0 HG2 ARG A 40 -30.690 -2.498 14.355 1.00 41.24 H new ATOM 0 HG3 ARG A 40 -29.918 -1.639 15.674 1.00 41.24 H new ATOM 0 HD2 ARG A 40 -30.114 -4.641 15.834 1.00 43.45 H new ATOM 0 HD3 ARG A 40 -28.932 -3.938 14.747 1.00 43.45 H new ATOM 0 HE ARG A 40 -28.868 -2.818 17.464 1.00 63.04 H new ATOM 0 HH11 ARG A 40 -27.699 -5.324 15.270 1.00 22.50 H new ATOM 0 HH12 ARG A 40 -26.238 -5.632 16.215 1.00 22.50 H new ATOM 0 HH21 ARG A 40 -26.990 -3.220 18.672 1.00 20.05 H new ATOM 0 HH22 ARG A 40 -25.839 -4.446 18.133 1.00 20.05 H new ATOM 593 N ASN A 41 -31.832 -0.099 14.283 1.00 55.32 N ATOM 594 CA ASN A 41 -31.272 1.196 13.915 1.00 71.13 C ATOM 595 C ASN A 41 -32.332 2.086 13.274 1.00 35.30 C ATOM 596 O ASN A 41 -32.271 3.313 13.369 1.00 31.23 O ATOM 597 CB ASN A 41 -30.096 1.012 12.953 1.00 34.41 C ATOM 598 CG ASN A 41 -29.324 -0.266 13.222 1.00 10.32 C ATOM 599 OD1 ASN A 41 -29.635 -1.320 12.668 1.00 32.53 O ATOM 600 ND2 ASN A 41 -28.311 -0.175 14.076 1.00 61.32 N ATOM 0 H ASN A 41 -31.856 -0.779 13.523 1.00 55.32 H new ATOM 0 HA ASN A 41 -30.917 1.681 14.824 1.00 71.13 H new ATOM 0 HB2 ASN A 41 -30.467 1.000 11.928 1.00 34.41 H new ATOM 0 HB3 ASN A 41 -29.423 1.865 13.039 1.00 34.41 H new ATOM 0 HD21 ASN A 41 -27.754 -1.001 14.296 1.00 61.32 H new ATOM 0 HD22 ASN A 41 -28.090 0.721 14.511 1.00 61.32 H new ATOM 607 N LEU A 42 -33.306 1.460 12.622 1.00 5.31 N ATOM 608 CA LEU A 42 -34.383 2.193 11.965 1.00 1.45 C ATOM 609 C LEU A 42 -35.087 3.122 12.948 1.00 41.30 C ATOM 610 O LEU A 42 -35.344 2.750 14.094 1.00 64.12 O ATOM 611 CB LEU A 42 -35.391 1.220 11.353 1.00 35.41 C ATOM 612 CG LEU A 42 -36.112 1.703 10.094 1.00 32.44 C ATOM 613 CD1 LEU A 42 -35.404 1.200 8.847 1.00 21.05 C ATOM 614 CD2 LEU A 42 -37.565 1.250 10.106 1.00 43.22 C ATOM 0 H LEU A 42 -33.372 0.446 12.534 1.00 5.31 H new ATOM 0 HA LEU A 42 -33.945 2.798 11.171 1.00 1.45 H new ATOM 0 HB2 LEU A 42 -34.871 0.292 11.116 1.00 35.41 H new ATOM 0 HB3 LEU A 42 -36.140 0.982 12.108 1.00 35.41 H new ATOM 0 HG LEU A 42 -36.092 2.793 10.082 1.00 32.44 H new ATOM 0 HD11 LEU A 42 -35.932 1.554 7.961 1.00 21.05 H new ATOM 0 HD12 LEU A 42 -34.381 1.575 8.834 1.00 21.05 H new ATOM 0 HD13 LEU A 42 -35.391 0.110 8.850 1.00 21.05 H new ATOM 0 HD21 LEU A 42 -38.063 1.602 9.203 1.00 43.22 H new ATOM 0 HD22 LEU A 42 -37.606 0.161 10.142 1.00 43.22 H new ATOM 0 HD23 LEU A 42 -38.067 1.662 10.982 1.00 43.22 H new ATOM 626 N ASP A 43 -35.399 4.330 12.494 1.00 10.14 N ATOM 627 CA ASP A 43 -36.078 5.312 13.333 1.00 31.33 C ATOM 628 C ASP A 43 -37.536 5.468 12.914 1.00 31.33 C ATOM 629 O ASP A 43 -38.050 4.689 12.111 1.00 2.34 O ATOM 630 CB ASP A 43 -35.365 6.662 13.254 1.00 44.20 C ATOM 631 CG ASP A 43 -33.856 6.518 13.216 1.00 54.04 C ATOM 632 OD1 ASP A 43 -33.283 6.012 14.204 1.00 1.31 O ATOM 633 OD2 ASP A 43 -33.246 6.912 12.199 1.00 30.34 O1- ATOM 0 H ASP A 43 -35.193 4.654 11.549 1.00 10.14 H new ATOM 0 HA ASP A 43 -36.050 4.955 14.363 1.00 31.33 H new ATOM 0 HB2 ASP A 43 -35.699 7.194 12.363 1.00 44.20 H new ATOM 0 HB3 ASP A 43 -35.648 7.270 14.114 1.00 44.20 H new ATOM 638 N ASP A 44 -38.199 6.479 13.465 1.00 73.33 N ATOM 639 CA ASP A 44 -39.599 6.738 13.149 1.00 11.43 C ATOM 640 C ASP A 44 -39.757 7.172 11.695 1.00 44.41 C ATOM 641 O ASP A 44 -40.865 7.192 11.160 1.00 0.12 O ATOM 642 CB ASP A 44 -40.163 7.813 14.079 1.00 63.23 C ATOM 643 CG ASP A 44 -39.725 7.620 15.519 1.00 31.34 C ATOM 644 OD1 ASP A 44 -38.578 7.987 15.842 1.00 40.13 O ATOM 645 OD2 ASP A 44 -40.531 7.103 16.320 1.00 13.32 O1- ATOM 0 H ASP A 44 -37.790 7.132 14.133 1.00 73.33 H new ATOM 0 HA ASP A 44 -40.156 5.813 13.296 1.00 11.43 H new ATOM 0 HB2 ASP A 44 -39.841 8.795 13.733 1.00 63.23 H new ATOM 0 HB3 ASP A 44 -41.252 7.799 14.028 1.00 63.23 H new ATOM 650 N ARG A 45 -38.642 7.523 11.063 1.00 71.11 N ATOM 651 CA ARG A 45 -38.656 7.960 9.672 1.00 52.13 C ATOM 652 C ARG A 45 -38.805 6.769 8.730 1.00 35.45 C ATOM 653 O ARG A 45 -39.237 6.918 7.587 1.00 3.22 O ATOM 654 CB ARG A 45 -37.375 8.728 9.343 1.00 65.04 C ATOM 655 CG ARG A 45 -37.130 9.922 10.250 1.00 43.34 C ATOM 656 CD ARG A 45 -35.947 10.750 9.774 1.00 43.42 C ATOM 657 NE ARG A 45 -35.991 12.115 10.291 1.00 64.23 N ATOM 658 CZ ARG A 45 -35.004 12.991 10.140 1.00 23.12 C ATOM 659 NH1 ARG A 45 -33.901 12.646 9.489 1.00 63.01 N1+ ATOM 660 NH2 ARG A 45 -35.119 14.215 10.639 1.00 3.01 N ATOM 0 H ARG A 45 -37.717 7.513 11.492 1.00 71.11 H new ATOM 0 HA ARG A 45 -39.512 8.620 9.533 1.00 52.13 H new ATOM 0 HB2 ARG A 45 -36.526 8.048 9.414 1.00 65.04 H new ATOM 0 HB3 ARG A 45 -37.423 9.071 8.310 1.00 65.04 H new ATOM 0 HG2 ARG A 45 -38.023 10.546 10.281 1.00 43.34 H new ATOM 0 HG3 ARG A 45 -36.947 9.576 11.267 1.00 43.34 H new ATOM 0 HD2 ARG A 45 -35.020 10.272 10.090 1.00 43.42 H new ATOM 0 HD3 ARG A 45 -35.937 10.775 8.684 1.00 43.42 H new ATOM 0 HE ARG A 45 -36.826 12.412 10.796 1.00 64.23 H new ATOM 0 HH11 ARG A 45 -33.809 11.706 9.103 1.00 63.01 H new ATOM 0 HH12 ARG A 45 -33.144 13.320 9.374 1.00 63.01 H new ATOM 0 HH21 ARG A 45 -35.966 14.484 11.139 1.00 3.01 H new ATOM 0 HH22 ARG A 45 -34.360 14.887 10.522 1.00 3.01 H new ATOM 674 N GLY A 46 -38.444 5.585 9.217 1.00 63.25 N ATOM 675 CA GLY A 46 -38.545 4.387 8.405 1.00 13.20 C ATOM 676 C GLY A 46 -37.256 4.075 7.672 1.00 41.41 C ATOM 677 O GLY A 46 -37.219 3.191 6.815 1.00 11.40 O ATOM 0 H GLY A 46 -38.084 5.435 10.159 1.00 63.25 H new ATOM 0 HA2 GLY A 46 -38.812 3.542 9.040 1.00 13.20 H new ATOM 0 HA3 GLY A 46 -39.351 4.509 7.681 1.00 13.20 H new ATOM 681 N VAL A 47 -36.195 4.803 8.005 1.00 30.53 N ATOM 682 CA VAL A 47 -34.899 4.600 7.370 1.00 42.32 C ATOM 683 C VAL A 47 -33.802 4.404 8.411 1.00 35.22 C ATOM 684 O VAL A 47 -33.819 5.031 9.470 1.00 74.45 O ATOM 685 CB VAL A 47 -34.525 5.788 6.464 1.00 33.24 C ATOM 686 CG1 VAL A 47 -33.145 5.583 5.857 1.00 62.32 C ATOM 687 CG2 VAL A 47 -35.571 5.978 5.378 1.00 11.24 C ATOM 0 H VAL A 47 -36.208 5.539 8.711 1.00 30.53 H new ATOM 0 HA VAL A 47 -34.983 3.700 6.760 1.00 42.32 H new ATOM 0 HB VAL A 47 -34.497 6.692 7.072 1.00 33.24 H new ATOM 0 HG11 VAL A 47 -32.898 6.432 5.220 1.00 62.32 H new ATOM 0 HG12 VAL A 47 -32.406 5.500 6.654 1.00 62.32 H new ATOM 0 HG13 VAL A 47 -33.141 4.670 5.262 1.00 62.32 H new ATOM 0 HG21 VAL A 47 -35.291 6.822 4.747 1.00 11.24 H new ATOM 0 HG22 VAL A 47 -35.633 5.075 4.771 1.00 11.24 H new ATOM 0 HG23 VAL A 47 -36.540 6.174 5.837 1.00 11.24 H new ATOM 697 N ILE A 48 -32.849 3.531 8.102 1.00 4.11 N ATOM 698 CA ILE A 48 -31.743 3.253 9.010 1.00 23.31 C ATOM 699 C ILE A 48 -30.827 4.465 9.147 1.00 42.35 C ATOM 700 O ILE A 48 -30.516 5.134 8.162 1.00 21.41 O ATOM 701 CB ILE A 48 -30.913 2.046 8.534 1.00 74.51 C ATOM 702 CG1 ILE A 48 -31.773 0.781 8.522 1.00 2.21 C ATOM 703 CG2 ILE A 48 -29.695 1.857 9.425 1.00 61.43 C ATOM 704 CD1 ILE A 48 -32.207 0.332 9.900 1.00 11.41 C ATOM 0 H ILE A 48 -32.821 3.004 7.229 1.00 4.11 H new ATOM 0 HA ILE A 48 -32.182 3.021 9.980 1.00 23.31 H new ATOM 0 HB ILE A 48 -30.569 2.238 7.518 1.00 74.51 H new ATOM 0 HG12 ILE A 48 -32.658 0.959 7.911 1.00 2.21 H new ATOM 0 HG13 ILE A 48 -31.214 -0.024 8.046 1.00 2.21 H new ATOM 0 HG21 ILE A 48 -29.118 1.000 9.076 1.00 61.43 H new ATOM 0 HG22 ILE A 48 -29.074 2.752 9.387 1.00 61.43 H new ATOM 0 HG23 ILE A 48 -30.018 1.683 10.451 1.00 61.43 H new ATOM 0 HD11 ILE A 48 -32.813 -0.570 9.815 1.00 11.41 H new ATOM 0 HD12 ILE A 48 -31.327 0.122 10.508 1.00 11.41 H new ATOM 0 HD13 ILE A 48 -32.794 1.120 10.371 1.00 11.41 H new ATOM 716 N ARG A 49 -30.398 4.739 10.373 1.00 61.21 N ATOM 717 CA ARG A 49 -29.517 5.869 10.640 1.00 55.21 C ATOM 718 C ARG A 49 -28.115 5.605 10.099 1.00 4.43 C ATOM 719 O ARG A 49 -27.758 4.463 9.805 1.00 74.42 O ATOM 720 CB ARG A 49 -29.452 6.151 12.142 1.00 75.12 C ATOM 721 CG ARG A 49 -28.836 7.498 12.483 1.00 63.14 C ATOM 722 CD ARG A 49 -29.020 7.838 13.954 1.00 21.00 C ATOM 723 NE ARG A 49 -28.575 9.195 14.262 1.00 40.53 N ATOM 724 CZ ARG A 49 -28.379 9.640 15.499 1.00 35.01 C ATOM 725 NH1 ARG A 49 -28.586 8.841 16.535 1.00 2.42 N1+ ATOM 726 NH2 ARG A 49 -27.973 10.888 15.698 1.00 44.41 N ATOM 0 H ARG A 49 -30.646 4.194 11.198 1.00 61.21 H new ATOM 0 HA ARG A 49 -29.925 6.743 10.132 1.00 55.21 H new ATOM 0 HB2 ARG A 49 -30.460 6.107 12.555 1.00 75.12 H new ATOM 0 HB3 ARG A 49 -28.874 5.364 12.626 1.00 75.12 H new ATOM 0 HG2 ARG A 49 -27.773 7.485 12.242 1.00 63.14 H new ATOM 0 HG3 ARG A 49 -29.293 8.274 11.869 1.00 63.14 H new ATOM 0 HD2 ARG A 49 -30.071 7.732 14.222 1.00 21.00 H new ATOM 0 HD3 ARG A 49 -28.462 7.127 14.563 1.00 21.00 H new ATOM 0 HE ARG A 49 -28.406 9.835 13.486 1.00 40.53 H new ATOM 0 HH11 ARG A 49 -28.897 7.881 16.385 1.00 2.42 H new ATOM 0 HH12 ARG A 49 -28.435 9.186 17.483 1.00 2.42 H new ATOM 0 HH21 ARG A 49 -27.812 11.505 14.902 1.00 44.41 H new ATOM 0 HH22 ARG A 49 -27.822 11.230 16.647 1.00 44.41 H new ATOM 740 N ILE A 50 -27.325 6.666 9.971 1.00 42.34 N ATOM 741 CA ILE A 50 -25.962 6.548 9.467 1.00 64.41 C ATOM 742 C ILE A 50 -25.066 5.829 10.470 1.00 25.51 C ATOM 743 O ILE A 50 -25.303 5.877 11.677 1.00 50.31 O ATOM 744 CB ILE A 50 -25.357 7.927 9.152 1.00 4.21 C ATOM 745 CG1 ILE A 50 -26.351 8.774 8.354 1.00 31.11 C ATOM 746 CG2 ILE A 50 -24.052 7.770 8.385 1.00 54.25 C ATOM 747 CD1 ILE A 50 -26.806 8.120 7.067 1.00 54.33 C ATOM 0 H ILE A 50 -27.606 7.617 10.209 1.00 42.34 H new ATOM 0 HA ILE A 50 -26.015 5.965 8.547 1.00 64.41 H new ATOM 0 HB ILE A 50 -25.145 8.438 10.091 1.00 4.21 H new ATOM 0 HG12 ILE A 50 -27.222 8.979 8.976 1.00 31.11 H new ATOM 0 HG13 ILE A 50 -25.892 9.735 8.121 1.00 31.11 H new ATOM 0 HG21 ILE A 50 -23.636 8.754 8.169 1.00 54.25 H new ATOM 0 HG22 ILE A 50 -23.343 7.200 8.986 1.00 54.25 H new ATOM 0 HG23 ILE A 50 -24.241 7.243 7.450 1.00 54.25 H new ATOM 0 HD11 ILE A 50 -27.509 8.777 6.554 1.00 54.33 H new ATOM 0 HD12 ILE A 50 -25.943 7.940 6.426 1.00 54.33 H new ATOM 0 HD13 ILE A 50 -27.294 7.172 7.293 1.00 54.33 H new ATOM 759 N GLY A 51 -24.033 5.164 9.962 1.00 2.14 N ATOM 760 CA GLY A 51 -23.114 4.446 10.827 1.00 43.44 C ATOM 761 C GLY A 51 -23.616 3.060 11.181 1.00 53.24 C ATOM 762 O GLY A 51 -23.100 2.422 12.099 1.00 63.33 O ATOM 0 H GLY A 51 -23.816 5.109 8.967 1.00 2.14 H new ATOM 0 HA2 GLY A 51 -22.145 4.364 10.334 1.00 43.44 H new ATOM 0 HA3 GLY A 51 -22.959 5.018 11.742 1.00 43.44 H new ATOM 766 N ALA A 52 -24.626 2.594 10.454 1.00 53.13 N ATOM 767 CA ALA A 52 -25.196 1.275 10.697 1.00 25.41 C ATOM 768 C ALA A 52 -24.741 0.276 9.640 1.00 3.24 C ATOM 769 O ALA A 52 -24.856 0.532 8.441 1.00 33.21 O ATOM 770 CB ALA A 52 -26.716 1.355 10.731 1.00 4.44 C ATOM 0 H ALA A 52 -25.066 3.110 9.692 1.00 53.13 H new ATOM 0 HA ALA A 52 -24.839 0.926 11.666 1.00 25.41 H new ATOM 0 HB1 ALA A 52 -27.129 0.363 10.913 1.00 4.44 H new ATOM 0 HB2 ALA A 52 -27.027 2.029 11.529 1.00 4.44 H new ATOM 0 HB3 ALA A 52 -27.082 1.730 9.775 1.00 4.44 H new ATOM 776 N GLU A 53 -24.222 -0.862 10.090 1.00 24.44 N ATOM 777 CA GLU A 53 -23.748 -1.897 9.181 1.00 12.23 C ATOM 778 C GLU A 53 -24.910 -2.522 8.414 1.00 61.23 C ATOM 779 O GLU A 53 -25.948 -2.845 8.992 1.00 62.55 O ATOM 780 CB GLU A 53 -22.992 -2.981 9.954 1.00 5.05 C ATOM 781 CG GLU A 53 -22.631 -4.191 9.111 1.00 63.31 C ATOM 782 CD GLU A 53 -21.425 -4.937 9.648 1.00 65.35 C ATOM 783 OE1 GLU A 53 -20.290 -4.591 9.256 1.00 22.21 O ATOM 784 OE2 GLU A 53 -21.615 -5.867 10.459 1.00 42.20 O1- ATOM 0 H GLU A 53 -24.119 -1.090 11.079 1.00 24.44 H new ATOM 0 HA GLU A 53 -23.070 -1.432 8.465 1.00 12.23 H new ATOM 0 HB2 GLU A 53 -22.079 -2.551 10.367 1.00 5.05 H new ATOM 0 HB3 GLU A 53 -23.601 -3.305 10.798 1.00 5.05 H new ATOM 0 HG2 GLU A 53 -23.484 -4.868 9.070 1.00 63.31 H new ATOM 0 HG3 GLU A 53 -22.430 -3.870 8.089 1.00 63.31 H new ATOM 791 N VAL A 54 -24.727 -2.690 7.108 1.00 22.21 N ATOM 792 CA VAL A 54 -25.759 -3.276 6.261 1.00 62.55 C ATOM 793 C VAL A 54 -25.584 -4.787 6.146 1.00 25.30 C ATOM 794 O VAL A 54 -24.463 -5.295 6.144 1.00 72.42 O ATOM 795 CB VAL A 54 -25.742 -2.661 4.848 1.00 34.21 C ATOM 796 CG1 VAL A 54 -24.594 -3.230 4.031 1.00 11.11 C ATOM 797 CG2 VAL A 54 -27.073 -2.896 4.150 1.00 22.21 C ATOM 0 H VAL A 54 -23.874 -2.429 6.614 1.00 22.21 H new ATOM 0 HA VAL A 54 -26.717 -3.058 6.734 1.00 62.55 H new ATOM 0 HB VAL A 54 -25.591 -1.586 4.940 1.00 34.21 H new ATOM 0 HG11 VAL A 54 -24.599 -2.784 3.037 1.00 11.11 H new ATOM 0 HG12 VAL A 54 -23.649 -3.005 4.525 1.00 11.11 H new ATOM 0 HG13 VAL A 54 -24.710 -4.310 3.944 1.00 11.11 H new ATOM 0 HG21 VAL A 54 -27.044 -2.455 3.153 1.00 22.21 H new ATOM 0 HG22 VAL A 54 -27.257 -3.967 4.068 1.00 22.21 H new ATOM 0 HG23 VAL A 54 -27.873 -2.434 4.728 1.00 22.21 H new ATOM 807 N LYS A 55 -26.701 -5.501 6.051 1.00 32.13 N ATOM 808 CA LYS A 55 -26.673 -6.953 5.936 1.00 11.44 C ATOM 809 C LYS A 55 -27.997 -7.482 5.393 1.00 24.20 C ATOM 810 O LYS A 55 -28.984 -6.749 5.317 1.00 53.12 O ATOM 811 CB LYS A 55 -26.377 -7.589 7.295 1.00 13.34 C ATOM 812 CG LYS A 55 -27.525 -7.475 8.283 1.00 34.42 C ATOM 813 CD LYS A 55 -27.023 -7.332 9.709 1.00 72.33 C ATOM 814 CE LYS A 55 -26.754 -8.688 10.344 1.00 54.12 C ATOM 815 NZ LYS A 55 -26.633 -8.594 11.825 1.00 75.44 N1+ ATOM 0 H LYS A 55 -27.637 -5.096 6.051 1.00 32.13 H new ATOM 0 HA LYS A 55 -25.881 -7.221 5.237 1.00 11.44 H new ATOM 0 HB2 LYS A 55 -26.137 -8.642 7.149 1.00 13.34 H new ATOM 0 HB3 LYS A 55 -25.492 -7.117 7.723 1.00 13.34 H new ATOM 0 HG2 LYS A 55 -28.143 -6.615 8.026 1.00 34.42 H new ATOM 0 HG3 LYS A 55 -28.160 -8.358 8.207 1.00 34.42 H new ATOM 0 HD2 LYS A 55 -26.109 -6.738 9.716 1.00 72.33 H new ATOM 0 HD3 LYS A 55 -27.760 -6.791 10.303 1.00 72.33 H new ATOM 0 HE2 LYS A 55 -27.561 -9.375 10.089 1.00 54.12 H new ATOM 0 HE3 LYS A 55 -25.836 -9.107 9.931 1.00 54.12 H new ATOM 0 HZ1 LYS A 55 -26.450 -9.539 12.219 1.00 75.44 H new ATOM 0 HZ2 LYS A 55 -25.847 -7.959 12.069 1.00 75.44 H new ATOM 0 HZ3 LYS A 55 -27.518 -8.219 12.222 1.00 75.44 H new ATOM 829 N ASP A 56 -28.012 -8.755 5.017 1.00 1.11 N ATOM 830 CA ASP A 56 -29.216 -9.382 4.485 1.00 50.12 C ATOM 831 C ASP A 56 -30.404 -9.153 5.413 1.00 51.21 C ATOM 832 O ASP A 56 -30.341 -9.456 6.604 1.00 22.43 O ATOM 833 CB ASP A 56 -28.990 -10.882 4.284 1.00 24.03 C ATOM 834 CG ASP A 56 -29.615 -11.395 3.002 1.00 74.11 C ATOM 835 OD1 ASP A 56 -29.597 -10.656 1.995 1.00 70.55 O ATOM 836 OD2 ASP A 56 -30.122 -12.535 3.005 1.00 42.54 O1- ATOM 0 H ASP A 56 -27.203 -9.374 5.071 1.00 1.11 H new ATOM 0 HA ASP A 56 -29.438 -8.924 3.521 1.00 50.12 H new ATOM 0 HB2 ASP A 56 -27.919 -11.086 4.270 1.00 24.03 H new ATOM 0 HB3 ASP A 56 -29.407 -11.426 5.131 1.00 24.03 H new ATOM 841 N GLY A 57 -31.487 -8.615 4.860 1.00 23.23 N ATOM 842 CA GLY A 57 -32.674 -8.354 5.654 1.00 2.42 C ATOM 843 C GLY A 57 -32.846 -6.882 5.971 1.00 30.44 C ATOM 844 O GLY A 57 -33.920 -6.452 6.393 1.00 50.43 O ATOM 0 H GLY A 57 -31.564 -8.355 3.877 1.00 23.23 H new ATOM 0 HA2 GLY A 57 -33.553 -8.712 5.117 1.00 2.42 H new ATOM 0 HA3 GLY A 57 -32.617 -8.919 6.584 1.00 2.42 H new ATOM 848 N ASP A 58 -31.785 -6.107 5.770 1.00 1.23 N ATOM 849 CA ASP A 58 -31.823 -4.674 6.039 1.00 24.33 C ATOM 850 C ASP A 58 -31.985 -3.882 4.745 1.00 44.22 C ATOM 851 O ASP A 58 -31.027 -3.705 3.990 1.00 4.32 O ATOM 852 CB ASP A 58 -30.551 -4.236 6.765 1.00 74.23 C ATOM 853 CG ASP A 58 -30.567 -4.605 8.235 1.00 42.34 C ATOM 854 OD1 ASP A 58 -31.591 -5.147 8.700 1.00 52.45 O ATOM 855 OD2 ASP A 58 -29.554 -4.351 8.922 1.00 60.24 O1- ATOM 0 H ASP A 58 -30.889 -6.447 5.422 1.00 1.23 H new ATOM 0 HA ASP A 58 -32.683 -4.472 6.677 1.00 24.33 H new ATOM 0 HB2 ASP A 58 -29.686 -4.697 6.287 1.00 74.23 H new ATOM 0 HB3 ASP A 58 -30.433 -3.157 6.666 1.00 74.23 H new ATOM 860 N LEU A 59 -33.200 -3.410 4.494 1.00 1.10 N ATOM 861 CA LEU A 59 -33.487 -2.638 3.290 1.00 32.31 C ATOM 862 C LEU A 59 -32.961 -1.212 3.419 1.00 22.24 C ATOM 863 O LEU A 59 -32.669 -0.554 2.420 1.00 63.34 O ATOM 864 CB LEU A 59 -34.993 -2.616 3.021 1.00 63.13 C ATOM 865 CG LEU A 59 -35.696 -3.974 3.028 1.00 21.11 C ATOM 866 CD1 LEU A 59 -34.758 -5.063 2.531 1.00 3.32 C ATOM 867 CD2 LEU A 59 -36.208 -4.303 4.422 1.00 13.30 C ATOM 0 H LEU A 59 -34.003 -3.548 5.108 1.00 1.10 H new ATOM 0 HA LEU A 59 -32.981 -3.118 2.452 1.00 32.31 H new ATOM 0 HB2 LEU A 59 -35.466 -1.980 3.770 1.00 63.13 H new ATOM 0 HB3 LEU A 59 -35.162 -2.147 2.052 1.00 63.13 H new ATOM 0 HG LEU A 59 -36.550 -3.923 2.353 1.00 21.11 H new ATOM 0 HD11 LEU A 59 -35.275 -6.022 2.543 1.00 3.32 H new ATOM 0 HD12 LEU A 59 -34.442 -4.834 1.513 1.00 3.32 H new ATOM 0 HD13 LEU A 59 -33.884 -5.114 3.180 1.00 3.32 H new ATOM 0 HD21 LEU A 59 -36.705 -5.273 4.407 1.00 13.30 H new ATOM 0 HD22 LEU A 59 -35.371 -4.335 5.119 1.00 13.30 H new ATOM 0 HD23 LEU A 59 -36.916 -3.537 4.740 1.00 13.30 H new ATOM 879 N LEU A 60 -32.840 -0.742 4.656 1.00 4.23 N ATOM 880 CA LEU A 60 -32.346 0.605 4.917 1.00 33.23 C ATOM 881 C LEU A 60 -33.324 1.654 4.398 1.00 4.21 C ATOM 882 O LEU A 60 -33.001 2.840 4.329 1.00 64.02 O ATOM 883 CB LEU A 60 -30.976 0.804 4.265 1.00 0.12 C ATOM 884 CG LEU A 60 -29.981 -0.346 4.432 1.00 74.51 C ATOM 885 CD1 LEU A 60 -28.866 -0.239 3.404 1.00 63.21 C ATOM 886 CD2 LEU A 60 -29.410 -0.356 5.842 1.00 1.41 C ATOM 0 H LEU A 60 -33.077 -1.274 5.493 1.00 4.23 H new ATOM 0 HA LEU A 60 -32.249 0.726 5.996 1.00 33.23 H new ATOM 0 HB2 LEU A 60 -31.125 0.978 3.199 1.00 0.12 H new ATOM 0 HB3 LEU A 60 -30.528 1.709 4.676 1.00 0.12 H new ATOM 0 HG LEU A 60 -30.509 -1.286 4.269 1.00 74.51 H new ATOM 0 HD11 LEU A 60 -28.167 -1.065 3.538 1.00 63.21 H new ATOM 0 HD12 LEU A 60 -29.291 -0.281 2.401 1.00 63.21 H new ATOM 0 HD13 LEU A 60 -28.339 0.706 3.535 1.00 63.21 H new ATOM 0 HD21 LEU A 60 -28.704 -1.180 5.943 1.00 1.41 H new ATOM 0 HD22 LEU A 60 -28.897 0.586 6.033 1.00 1.41 H new ATOM 0 HD23 LEU A 60 -30.219 -0.481 6.561 1.00 1.41 H new ATOM 898 N VAL A 61 -34.524 1.209 4.036 1.00 0.20 N ATOM 899 CA VAL A 61 -35.551 2.110 3.526 1.00 71.21 C ATOM 900 C VAL A 61 -36.948 1.572 3.821 1.00 70.32 C ATOM 901 O VAL A 61 -37.209 0.379 3.673 1.00 31.11 O ATOM 902 CB VAL A 61 -35.407 2.326 2.008 1.00 31.34 C ATOM 903 CG1 VAL A 61 -34.111 3.060 1.696 1.00 4.22 C ATOM 904 CG2 VAL A 61 -35.466 0.995 1.274 1.00 2.31 C ATOM 0 H VAL A 61 -34.808 0.231 4.087 1.00 0.20 H new ATOM 0 HA VAL A 61 -35.416 3.064 4.035 1.00 71.21 H new ATOM 0 HB VAL A 61 -36.238 2.942 1.664 1.00 31.34 H new ATOM 0 HG11 VAL A 61 -34.025 3.204 0.619 1.00 4.22 H new ATOM 0 HG12 VAL A 61 -34.113 4.030 2.193 1.00 4.22 H new ATOM 0 HG13 VAL A 61 -33.265 2.472 2.052 1.00 4.22 H new ATOM 0 HG21 VAL A 61 -35.363 1.166 0.202 1.00 2.31 H new ATOM 0 HG22 VAL A 61 -34.656 0.353 1.619 1.00 2.31 H new ATOM 0 HG23 VAL A 61 -36.422 0.511 1.474 1.00 2.31 H new ATOM 914 N GLY A 62 -37.842 2.462 4.238 1.00 71.04 N ATOM 915 CA GLY A 62 -39.202 2.059 4.547 1.00 31.12 C ATOM 916 C GLY A 62 -40.182 2.441 3.455 1.00 34.53 C ATOM 917 O GLY A 62 -40.596 3.596 3.358 1.00 41.31 O ATOM 0 H GLY A 62 -37.649 3.455 4.368 1.00 71.04 H new ATOM 0 HA2 GLY A 62 -39.233 0.980 4.697 1.00 31.12 H new ATOM 0 HA3 GLY A 62 -39.510 2.520 5.485 1.00 31.12 H new ATOM 921 N LYS A 63 -40.553 1.468 2.630 1.00 64.14 N ATOM 922 CA LYS A 63 -41.491 1.707 1.539 1.00 33.22 C ATOM 923 C LYS A 63 -42.547 0.607 1.479 1.00 20.52 C ATOM 924 O LYS A 63 -42.224 -0.570 1.327 1.00 13.53 O ATOM 925 CB LYS A 63 -40.743 1.782 0.205 1.00 74.02 C ATOM 926 CG LYS A 63 -41.500 2.538 -0.873 1.00 20.40 C ATOM 927 CD LYS A 63 -40.552 3.222 -1.845 1.00 71.32 C ATOM 928 CE LYS A 63 -40.315 2.371 -3.083 1.00 42.40 C ATOM 929 NZ LYS A 63 -41.406 2.530 -4.083 1.00 61.51 N1+ ATOM 0 H LYS A 63 -40.219 0.507 2.696 1.00 64.14 H new ATOM 0 HA LYS A 63 -41.991 2.658 1.724 1.00 33.22 H new ATOM 0 HB2 LYS A 63 -39.778 2.263 0.365 1.00 74.02 H new ATOM 0 HB3 LYS A 63 -40.540 0.770 -0.146 1.00 74.02 H new ATOM 0 HG2 LYS A 63 -42.145 1.849 -1.417 1.00 20.40 H new ATOM 0 HG3 LYS A 63 -42.148 3.283 -0.410 1.00 20.40 H new ATOM 0 HD2 LYS A 63 -40.964 4.187 -2.139 1.00 71.32 H new ATOM 0 HD3 LYS A 63 -39.601 3.419 -1.350 1.00 71.32 H new ATOM 0 HE2 LYS A 63 -39.363 2.648 -3.537 1.00 42.40 H new ATOM 0 HE3 LYS A 63 -40.238 1.323 -2.794 1.00 42.40 H new ATOM 0 HZ1 LYS A 63 -41.423 1.702 -4.712 1.00 61.51 H new ATOM 0 HZ2 LYS A 63 -42.319 2.610 -3.591 1.00 61.51 H new ATOM 0 HZ3 LYS A 63 -41.239 3.389 -4.645 1.00 61.51 H new ATOM 943 N VAL A 64 -43.811 1.002 1.596 1.00 71.05 N ATOM 944 CA VAL A 64 -44.916 0.051 1.554 1.00 72.21 C ATOM 945 C VAL A 64 -46.209 0.730 1.119 1.00 72.14 C ATOM 946 O VAL A 64 -46.649 1.703 1.732 1.00 61.31 O ATOM 947 CB VAL A 64 -45.134 -0.617 2.924 1.00 41.14 C ATOM 948 CG1 VAL A 64 -44.178 -1.786 3.107 1.00 41.34 C ATOM 949 CG2 VAL A 64 -44.970 0.399 4.044 1.00 71.41 C ATOM 0 H VAL A 64 -44.095 1.974 1.721 1.00 71.05 H new ATOM 0 HA VAL A 64 -44.648 -0.714 0.825 1.00 72.21 H new ATOM 0 HB VAL A 64 -46.152 -1.004 2.962 1.00 41.14 H new ATOM 0 HG11 VAL A 64 -44.347 -2.245 4.081 1.00 41.34 H new ATOM 0 HG12 VAL A 64 -44.351 -2.523 2.323 1.00 41.34 H new ATOM 0 HG13 VAL A 64 -43.150 -1.428 3.048 1.00 41.34 H new ATOM 0 HG21 VAL A 64 -45.128 -0.090 5.005 1.00 71.41 H new ATOM 0 HG22 VAL A 64 -43.964 0.818 4.011 1.00 71.41 H new ATOM 0 HG23 VAL A 64 -45.700 1.198 3.920 1.00 71.41 H new ATOM 959 N THR A 65 -46.816 0.210 0.056 1.00 75.31 N ATOM 960 CA THR A 65 -48.060 0.768 -0.462 1.00 21.11 C ATOM 961 C THR A 65 -49.254 -0.093 -0.064 1.00 50.33 C ATOM 962 O THR A 65 -49.123 -1.280 0.236 1.00 22.30 O ATOM 963 CB THR A 65 -48.022 0.895 -1.995 1.00 51.22 C ATOM 964 OG1 THR A 65 -47.024 0.021 -2.536 1.00 52.43 O ATOM 965 CG2 THR A 65 -47.726 2.329 -2.411 1.00 65.41 C ATOM 0 H THR A 65 -46.467 -0.596 -0.463 1.00 75.31 H new ATOM 0 HA THR A 65 -48.169 1.761 -0.026 1.00 21.11 H new ATOM 0 HB THR A 65 -49.000 0.613 -2.385 1.00 51.22 H new ATOM 0 HG1 THR A 65 -47.008 0.107 -3.512 1.00 52.43 H new ATOM 0 HG21 THR A 65 -47.704 2.395 -3.499 1.00 65.41 H new ATOM 0 HG22 THR A 65 -48.503 2.988 -2.023 1.00 65.41 H new ATOM 0 HG23 THR A 65 -46.759 2.632 -2.009 1.00 65.41 H new ATOM 973 N PRO A 66 -50.448 0.517 -0.063 1.00 71.34 N ATOM 974 CA PRO A 66 -51.690 -0.175 0.294 1.00 72.00 C ATOM 975 C PRO A 66 -52.106 -1.200 -0.755 1.00 31.14 C ATOM 976 O PRO A 66 -51.799 -1.051 -1.939 1.00 4.01 O ATOM 977 CB PRO A 66 -52.718 0.956 0.373 1.00 54.11 C ATOM 978 CG PRO A 66 -52.176 2.022 -0.517 1.00 72.32 C ATOM 979 CD PRO A 66 -50.679 1.929 -0.410 1.00 51.54 C ATOM 0 HA PRO A 66 -51.588 -0.742 1.220 1.00 72.00 H new ATOM 0 HB2 PRO A 66 -53.700 0.622 0.039 1.00 54.11 H new ATOM 0 HB3 PRO A 66 -52.834 1.315 1.396 1.00 54.11 H new ATOM 0 HG2 PRO A 66 -52.504 1.875 -1.546 1.00 72.32 H new ATOM 0 HG3 PRO A 66 -52.529 3.006 -0.207 1.00 72.32 H new ATOM 0 HD2 PRO A 66 -50.192 2.197 -1.348 1.00 51.54 H new ATOM 0 HD3 PRO A 66 -50.289 2.600 0.355 1.00 51.54 H new ATOM 987 N LYS A 67 -52.805 -2.241 -0.317 1.00 13.34 N ATOM 988 CA LYS A 67 -53.264 -3.291 -1.218 1.00 22.03 C ATOM 989 C LYS A 67 -54.633 -2.948 -1.800 1.00 61.40 C ATOM 990 O LYS A 67 -55.245 -1.949 -1.424 1.00 45.12 O ATOM 991 CB LYS A 67 -53.332 -4.630 -0.482 1.00 13.12 C ATOM 992 CG LYS A 67 -51.970 -5.241 -0.203 1.00 24.12 C ATOM 993 CD LYS A 67 -51.627 -6.325 -1.211 1.00 43.33 C ATOM 994 CE LYS A 67 -52.422 -7.596 -0.955 1.00 51.24 C ATOM 995 NZ LYS A 67 -51.767 -8.463 0.062 1.00 22.33 N1+ ATOM 0 H LYS A 67 -53.067 -2.380 0.659 1.00 13.34 H new ATOM 0 HA LYS A 67 -52.549 -3.370 -2.037 1.00 22.03 H new ATOM 0 HB2 LYS A 67 -53.858 -4.490 0.462 1.00 13.12 H new ATOM 0 HB3 LYS A 67 -53.921 -5.331 -1.074 1.00 13.12 H new ATOM 0 HG2 LYS A 67 -51.208 -4.462 -0.232 1.00 24.12 H new ATOM 0 HG3 LYS A 67 -51.958 -5.661 0.803 1.00 24.12 H new ATOM 0 HD2 LYS A 67 -51.831 -5.964 -2.219 1.00 43.33 H new ATOM 0 HD3 LYS A 67 -50.561 -6.545 -1.161 1.00 43.33 H new ATOM 0 HE2 LYS A 67 -53.425 -7.335 -0.618 1.00 51.24 H new ATOM 0 HE3 LYS A 67 -52.532 -8.150 -1.887 1.00 51.24 H new ATOM 0 HZ1 LYS A 67 -52.339 -9.319 0.209 1.00 22.33 H new ATOM 0 HZ2 LYS A 67 -50.819 -8.733 -0.270 1.00 22.33 H new ATOM 0 HZ3 LYS A 67 -51.684 -7.944 0.959 1.00 22.33 H new ATOM 1009 N GLY A 68 -55.107 -3.785 -2.718 1.00 41.33 N ATOM 1010 CA GLY A 68 -56.400 -3.554 -3.335 1.00 62.55 C ATOM 1011 C GLY A 68 -57.302 -4.770 -3.263 1.00 22.32 C ATOM 1012 O GLY A 68 -57.041 -5.784 -3.910 1.00 24.52 O ATOM 0 H GLY A 68 -54.619 -4.619 -3.045 1.00 41.33 H new ATOM 0 HA2 GLY A 68 -56.889 -2.713 -2.843 1.00 62.55 H new ATOM 0 HA3 GLY A 68 -56.256 -3.273 -4.378 1.00 62.55 H new ATOM 1355 N VAL A 90 -51.343 -5.020 3.059 1.00 14.00 N ATOM 1356 CA VAL A 90 -50.411 -4.055 2.489 1.00 43.15 C ATOM 1357 C VAL A 90 -49.395 -4.742 1.584 1.00 34.22 C ATOM 1358 O VAL A 90 -49.190 -5.952 1.670 1.00 14.45 O ATOM 1359 CB VAL A 90 -49.661 -3.281 3.589 1.00 61.31 C ATOM 1360 CG1 VAL A 90 -48.576 -4.149 4.207 1.00 61.42 C ATOM 1361 CG2 VAL A 90 -49.071 -1.996 3.029 1.00 63.51 C ATOM 0 HA VAL A 90 -51.002 -3.353 1.901 1.00 43.15 H new ATOM 0 HB VAL A 90 -50.372 -3.017 4.372 1.00 61.31 H new ATOM 0 HG11 VAL A 90 -48.057 -3.585 4.982 1.00 61.42 H new ATOM 0 HG12 VAL A 90 -49.028 -5.039 4.646 1.00 61.42 H new ATOM 0 HG13 VAL A 90 -47.865 -4.446 3.436 1.00 61.42 H new ATOM 0 HG21 VAL A 90 -48.545 -1.462 3.820 1.00 63.51 H new ATOM 0 HG22 VAL A 90 -48.373 -2.235 2.227 1.00 63.51 H new ATOM 0 HG23 VAL A 90 -49.872 -1.368 2.638 1.00 63.51 H new ATOM 1371 N ARG A 91 -48.761 -3.960 0.714 1.00 25.45 N ATOM 1372 CA ARG A 91 -47.766 -4.494 -0.208 1.00 3.45 C ATOM 1373 C ARG A 91 -46.365 -4.027 0.175 1.00 15.52 C ATOM 1374 O ARG A 91 -46.136 -2.840 0.406 1.00 10.53 O ATOM 1375 CB ARG A 91 -48.086 -4.062 -1.641 1.00 35.24 C ATOM 1376 CG ARG A 91 -47.028 -4.476 -2.651 1.00 1.41 C ATOM 1377 CD ARG A 91 -47.466 -4.167 -4.075 1.00 62.05 C ATOM 1378 NE ARG A 91 -46.514 -4.670 -5.061 1.00 32.31 N ATOM 1379 CZ ARG A 91 -46.399 -5.953 -5.384 1.00 62.40 C ATOM 1380 NH1 ARG A 91 -47.173 -6.859 -4.801 1.00 60.23 N1+ ATOM 1381 NH2 ARG A 91 -45.510 -6.333 -6.292 1.00 63.42 N ATOM 0 H ARG A 91 -48.919 -2.956 0.629 1.00 25.45 H new ATOM 0 HA ARG A 91 -47.796 -5.582 -0.148 1.00 3.45 H new ATOM 0 HB2 ARG A 91 -49.045 -4.490 -1.935 1.00 35.24 H new ATOM 0 HB3 ARG A 91 -48.199 -2.978 -1.669 1.00 35.24 H new ATOM 0 HG2 ARG A 91 -46.094 -3.956 -2.435 1.00 1.41 H new ATOM 0 HG3 ARG A 91 -46.829 -5.543 -2.554 1.00 1.41 H new ATOM 0 HD2 ARG A 91 -48.445 -4.610 -4.257 1.00 62.05 H new ATOM 0 HD3 ARG A 91 -47.577 -3.089 -4.195 1.00 62.05 H new ATOM 0 HE ARG A 91 -45.904 -3.999 -5.527 1.00 32.31 H new ATOM 0 HH11 ARG A 91 -47.859 -6.571 -4.103 1.00 60.23 H new ATOM 0 HH12 ARG A 91 -47.083 -7.844 -5.051 1.00 60.23 H new ATOM 0 HH21 ARG A 91 -44.914 -5.639 -6.743 1.00 63.42 H new ATOM 0 HH22 ARG A 91 -45.423 -7.319 -6.539 1.00 63.42 H new ATOM 1395 N ASP A 92 -45.431 -4.970 0.240 1.00 43.34 N ATOM 1396 CA ASP A 92 -44.052 -4.657 0.594 1.00 22.20 C ATOM 1397 C ASP A 92 -43.235 -4.320 -0.649 1.00 4.24 C ATOM 1398 O ASP A 92 -42.761 -5.212 -1.356 1.00 43.15 O ATOM 1399 CB ASP A 92 -43.413 -5.831 1.336 1.00 42.30 C ATOM 1400 CG ASP A 92 -43.494 -7.126 0.550 1.00 10.14 C ATOM 1401 OD1 ASP A 92 -44.608 -7.678 0.429 1.00 24.00 O ATOM 1402 OD2 ASP A 92 -42.445 -7.585 0.056 1.00 53.42 O1- ATOM 0 H ASP A 92 -45.604 -5.957 0.052 1.00 43.34 H new ATOM 0 HA ASP A 92 -44.061 -3.786 1.249 1.00 22.20 H new ATOM 0 HB2 ASP A 92 -42.368 -5.600 1.544 1.00 42.30 H new ATOM 0 HB3 ASP A 92 -43.908 -5.962 2.298 1.00 42.30 H new ATOM 1407 N THR A 93 -43.072 -3.027 -0.913 1.00 3.24 N ATOM 1408 CA THR A 93 -42.315 -2.573 -2.072 1.00 15.11 C ATOM 1409 C THR A 93 -41.005 -1.917 -1.650 1.00 15.23 C ATOM 1410 O THR A 93 -40.509 -1.011 -2.320 1.00 31.43 O ATOM 1411 CB THR A 93 -43.127 -1.573 -2.917 1.00 51.14 C ATOM 1412 OG1 THR A 93 -42.391 -1.213 -4.091 1.00 20.55 O ATOM 1413 CG2 THR A 93 -43.453 -0.323 -2.114 1.00 32.22 C ATOM 0 H THR A 93 -43.455 -2.276 -0.339 1.00 3.24 H new ATOM 0 HA THR A 93 -42.099 -3.456 -2.674 1.00 15.11 H new ATOM 0 HB THR A 93 -44.062 -2.053 -3.207 1.00 51.14 H new ATOM 0 HG1 THR A 93 -41.470 -0.986 -3.843 1.00 20.55 H new ATOM 0 HG21 THR A 93 -44.027 0.367 -2.732 1.00 32.22 H new ATOM 0 HG22 THR A 93 -44.039 -0.597 -1.237 1.00 32.22 H new ATOM 0 HG23 THR A 93 -42.527 0.157 -1.797 1.00 32.22 H new ATOM 1421 N SER A 94 -40.449 -2.380 -0.535 1.00 41.23 N ATOM 1422 CA SER A 94 -39.197 -1.835 -0.022 1.00 71.52 C ATOM 1423 C SER A 94 -38.029 -2.216 -0.926 1.00 43.33 C ATOM 1424 O SER A 94 -38.172 -3.037 -1.833 1.00 3.02 O ATOM 1425 CB SER A 94 -38.942 -2.340 1.400 1.00 20.52 C ATOM 1426 OG SER A 94 -39.773 -1.674 2.335 1.00 2.23 O ATOM 0 H SER A 94 -40.845 -3.131 0.030 1.00 41.23 H new ATOM 0 HA SER A 94 -39.281 -0.748 -0.005 1.00 71.52 H new ATOM 0 HB2 SER A 94 -39.125 -3.414 1.446 1.00 20.52 H new ATOM 0 HB3 SER A 94 -37.896 -2.183 1.663 1.00 20.52 H new ATOM 0 HG SER A 94 -40.574 -1.340 1.881 1.00 2.23 H new ATOM 1432 N LEU A 95 -36.872 -1.613 -0.672 1.00 11.13 N ATOM 1433 CA LEU A 95 -35.677 -1.888 -1.462 1.00 34.44 C ATOM 1434 C LEU A 95 -35.087 -3.248 -1.103 1.00 62.22 C ATOM 1435 O LEU A 95 -35.204 -3.705 0.034 1.00 61.44 O ATOM 1436 CB LEU A 95 -34.633 -0.791 -1.241 1.00 53.31 C ATOM 1437 CG LEU A 95 -33.413 -0.830 -2.163 1.00 14.14 C ATOM 1438 CD1 LEU A 95 -32.861 0.571 -2.375 1.00 71.33 C ATOM 1439 CD2 LEU A 95 -32.343 -1.747 -1.592 1.00 61.44 C ATOM 0 H LEU A 95 -36.737 -0.931 0.074 1.00 11.13 H new ATOM 0 HA LEU A 95 -35.962 -1.904 -2.514 1.00 34.44 H new ATOM 0 HB2 LEU A 95 -35.121 0.176 -1.358 1.00 53.31 H new ATOM 0 HB3 LEU A 95 -34.286 -0.850 -0.209 1.00 53.31 H new ATOM 0 HG LEU A 95 -33.723 -1.226 -3.130 1.00 14.14 H new ATOM 0 HD11 LEU A 95 -31.993 0.525 -3.033 1.00 71.33 H new ATOM 0 HD12 LEU A 95 -33.628 1.199 -2.829 1.00 71.33 H new ATOM 0 HD13 LEU A 95 -32.566 0.995 -1.415 1.00 71.33 H new ATOM 0 HD21 LEU A 95 -31.482 -1.763 -2.261 1.00 61.44 H new ATOM 0 HD22 LEU A 95 -32.035 -1.381 -0.613 1.00 61.44 H new ATOM 0 HD23 LEU A 95 -32.744 -2.756 -1.493 1.00 61.44 H new ATOM 1451 N ARG A 96 -34.451 -3.887 -2.078 1.00 22.20 N ATOM 1452 CA ARG A 96 -33.841 -5.194 -1.865 1.00 2.41 C ATOM 1453 C ARG A 96 -32.342 -5.061 -1.617 1.00 14.45 C ATOM 1454 O ARG A 96 -31.591 -4.642 -2.498 1.00 63.30 O ATOM 1455 CB ARG A 96 -34.091 -6.101 -3.072 1.00 44.25 C ATOM 1456 CG ARG A 96 -34.927 -7.328 -2.749 1.00 63.41 C ATOM 1457 CD ARG A 96 -36.315 -6.945 -2.261 1.00 52.41 C ATOM 1458 NE ARG A 96 -37.282 -8.022 -2.459 1.00 50.34 N ATOM 1459 CZ ARG A 96 -38.502 -8.019 -1.934 1.00 2.41 C ATOM 1460 NH1 ARG A 96 -38.902 -7.001 -1.183 1.00 13.23 N1+ ATOM 1461 NH2 ARG A 96 -39.325 -9.034 -2.160 1.00 2.33 N ATOM 0 H ARG A 96 -34.344 -3.521 -3.024 1.00 22.20 H new ATOM 0 HA ARG A 96 -34.299 -5.641 -0.983 1.00 2.41 H new ATOM 0 HB2 ARG A 96 -34.592 -5.526 -3.851 1.00 44.25 H new ATOM 0 HB3 ARG A 96 -33.132 -6.422 -3.479 1.00 44.25 H new ATOM 0 HG2 ARG A 96 -35.013 -7.955 -3.637 1.00 63.41 H new ATOM 0 HG3 ARG A 96 -34.423 -7.922 -1.986 1.00 63.41 H new ATOM 0 HD2 ARG A 96 -36.269 -6.689 -1.202 1.00 52.41 H new ATOM 0 HD3 ARG A 96 -36.652 -6.054 -2.790 1.00 52.41 H new ATOM 0 HE ARG A 96 -37.005 -8.820 -3.031 1.00 50.34 H new ATOM 0 HH11 ARG A 96 -38.272 -6.218 -1.008 1.00 13.23 H new ATOM 0 HH12 ARG A 96 -39.839 -7.001 -0.781 1.00 13.23 H new ATOM 0 HH21 ARG A 96 -39.021 -9.818 -2.737 1.00 2.33 H new ATOM 0 HH22 ARG A 96 -40.262 -9.031 -1.756 1.00 2.33 H new ATOM 1475 N VAL A 97 -31.912 -5.420 -0.411 1.00 32.32 N ATOM 1476 CA VAL A 97 -30.502 -5.341 -0.047 1.00 32.11 C ATOM 1477 C VAL A 97 -29.863 -6.725 -0.023 1.00 2.42 C ATOM 1478 O VAL A 97 -30.389 -7.668 0.569 1.00 4.01 O ATOM 1479 CB VAL A 97 -30.314 -4.676 1.330 1.00 24.41 C ATOM 1480 CG1 VAL A 97 -28.963 -5.045 1.921 1.00 40.42 C ATOM 1481 CG2 VAL A 97 -30.461 -3.166 1.215 1.00 52.15 C ATOM 0 H VAL A 97 -32.520 -5.768 0.330 1.00 32.32 H new ATOM 0 HA VAL A 97 -30.012 -4.731 -0.806 1.00 32.11 H new ATOM 0 HB VAL A 97 -31.089 -5.044 2.002 1.00 24.41 H new ATOM 0 HG11 VAL A 97 -28.848 -4.566 2.893 1.00 40.42 H new ATOM 0 HG12 VAL A 97 -28.901 -6.127 2.040 1.00 40.42 H new ATOM 0 HG13 VAL A 97 -28.170 -4.707 1.254 1.00 40.42 H new ATOM 0 HG21 VAL A 97 -30.325 -2.711 2.196 1.00 52.15 H new ATOM 0 HG22 VAL A 97 -29.708 -2.778 0.528 1.00 52.15 H new ATOM 0 HG23 VAL A 97 -31.455 -2.925 0.838 1.00 52.15 H new ATOM 1491 N PRO A 98 -28.700 -6.851 -0.679 1.00 12.13 N ATOM 1492 CA PRO A 98 -27.962 -8.117 -0.746 1.00 3.14 C ATOM 1493 C PRO A 98 -27.358 -8.507 0.599 1.00 31.21 C ATOM 1494 O PRO A 98 -27.242 -7.679 1.502 1.00 54.31 O ATOM 1495 CB PRO A 98 -26.857 -7.829 -1.765 1.00 5.32 C ATOM 1496 CG PRO A 98 -26.663 -6.353 -1.708 1.00 31.15 C ATOM 1497 CD PRO A 98 -28.015 -5.769 -1.406 1.00 23.22 C ATOM 0 HA PRO A 98 -28.607 -8.952 -1.021 1.00 3.14 H new ATOM 0 HB2 PRO A 98 -25.938 -8.359 -1.513 1.00 5.32 H new ATOM 0 HB3 PRO A 98 -27.147 -8.152 -2.765 1.00 5.32 H new ATOM 0 HG2 PRO A 98 -25.941 -6.084 -0.937 1.00 31.15 H new ATOM 0 HG3 PRO A 98 -26.276 -5.973 -2.654 1.00 31.15 H new ATOM 0 HD2 PRO A 98 -27.936 -4.866 -0.801 1.00 23.22 H new ATOM 0 HD3 PRO A 98 -28.548 -5.497 -2.317 1.00 23.22 H new ATOM 1505 N HIS A 99 -26.975 -9.774 0.725 1.00 2.03 N ATOM 1506 CA HIS A 99 -26.382 -10.274 1.960 1.00 40.20 C ATOM 1507 C HIS A 99 -25.038 -9.604 2.227 1.00 23.32 C ATOM 1508 O HIS A 99 -24.129 -9.662 1.401 1.00 3.54 O ATOM 1509 CB HIS A 99 -26.203 -11.791 1.886 1.00 10.22 C ATOM 1510 CG HIS A 99 -25.434 -12.246 0.684 1.00 63.35 C ATOM 1511 ND1 HIS A 99 -26.031 -12.555 -0.519 1.00 22.30 N ATOM 1512 CD2 HIS A 99 -24.106 -12.441 0.504 1.00 12.11 C ATOM 1513 CE1 HIS A 99 -25.106 -12.923 -1.386 1.00 51.45 C ATOM 1514 NE2 HIS A 99 -23.928 -12.862 -0.791 1.00 54.33 N ATOM 0 H HIS A 99 -27.065 -10.473 -0.013 1.00 2.03 H new ATOM 0 HA HIS A 99 -27.057 -10.035 2.782 1.00 40.20 H new ATOM 0 HB2 HIS A 99 -25.690 -12.132 2.785 1.00 10.22 H new ATOM 0 HB3 HIS A 99 -27.185 -12.264 1.879 1.00 10.22 H new ATOM 0 HD2 HIS A 99 -23.331 -12.293 1.242 1.00 12.11 H new ATOM 0 HE1 HIS A 99 -25.282 -13.223 -2.408 1.00 51.45 H new ATOM 0 HE2 HIS A 99 -23.033 -13.090 -1.223 1.00 54.33 H new ATOM 1522 N GLY A 100 -24.920 -8.965 3.388 1.00 52.11 N ATOM 1523 CA GLY A 100 -23.685 -8.293 3.743 1.00 34.40 C ATOM 1524 C GLY A 100 -23.609 -6.887 3.180 1.00 32.53 C ATOM 1525 O GLY A 100 -23.324 -5.935 3.905 1.00 13.43 O ATOM 0 H GLY A 100 -25.659 -8.901 4.088 1.00 52.11 H new ATOM 0 HA2 GLY A 100 -23.596 -8.252 4.829 1.00 34.40 H new ATOM 0 HA3 GLY A 100 -22.840 -8.875 3.376 1.00 34.40 H new ATOM 1529 N GLY A 101 -23.861 -6.756 1.881 1.00 3.44 N ATOM 1530 CA GLY A 101 -23.812 -5.454 1.243 1.00 63.32 C ATOM 1531 C GLY A 101 -22.420 -5.097 0.758 1.00 13.11 C ATOM 1532 O GLY A 101 -22.263 -4.445 -0.273 1.00 41.12 O ATOM 0 H GLY A 101 -24.098 -7.529 1.259 1.00 3.44 H new ATOM 0 HA2 GLY A 101 -24.502 -5.440 0.399 1.00 63.32 H new ATOM 0 HA3 GLY A 101 -24.154 -4.695 1.947 1.00 63.32 H new ATOM 1536 N GLY A 102 -21.407 -5.527 1.504 1.00 35.30 N ATOM 1537 CA GLY A 102 -20.035 -5.237 1.130 1.00 42.33 C ATOM 1538 C GLY A 102 -19.431 -4.121 1.958 1.00 11.11 C ATOM 1539 O GLY A 102 -18.257 -4.174 2.321 1.00 65.03 O ATOM 0 H GLY A 102 -21.512 -6.071 2.360 1.00 35.30 H new ATOM 0 HA2 GLY A 102 -19.432 -6.138 1.246 1.00 42.33 H new ATOM 0 HA3 GLY A 102 -19.999 -4.963 0.076 1.00 42.33 H new ATOM 1543 N GLY A 103 -20.236 -3.105 2.257 1.00 42.51 N ATOM 1544 CA GLY A 103 -19.755 -1.985 3.044 1.00 70.24 C ATOM 1545 C GLY A 103 -20.712 -1.604 4.155 1.00 14.31 C ATOM 1546 O GLY A 103 -21.552 -2.408 4.564 1.00 75.45 O ATOM 0 H GLY A 103 -21.212 -3.038 1.968 1.00 42.51 H new ATOM 0 HA2 GLY A 103 -18.786 -2.237 3.474 1.00 70.24 H new ATOM 0 HA3 GLY A 103 -19.601 -1.126 2.391 1.00 70.24 H new ATOM 1550 N ILE A 104 -20.586 -0.376 4.649 1.00 10.42 N ATOM 1551 CA ILE A 104 -21.446 0.109 5.720 1.00 73.30 C ATOM 1552 C ILE A 104 -22.053 1.463 5.367 1.00 61.32 C ATOM 1553 O ILE A 104 -21.436 2.267 4.667 1.00 74.25 O ATOM 1554 CB ILE A 104 -20.677 0.233 7.048 1.00 31.42 C ATOM 1555 CG1 ILE A 104 -20.010 -1.097 7.403 1.00 73.31 C ATOM 1556 CG2 ILE A 104 -21.611 0.678 8.162 1.00 75.13 C ATOM 1557 CD1 ILE A 104 -19.041 -0.998 8.560 1.00 42.35 C ATOM 0 H ILE A 104 -19.896 0.301 4.324 1.00 10.42 H new ATOM 0 HA ILE A 104 -22.244 -0.624 5.840 1.00 73.30 H new ATOM 0 HB ILE A 104 -19.899 0.987 6.931 1.00 31.42 H new ATOM 0 HG12 ILE A 104 -20.782 -1.827 7.647 1.00 73.31 H new ATOM 0 HG13 ILE A 104 -19.481 -1.474 6.528 1.00 73.31 H new ATOM 0 HG21 ILE A 104 -21.052 0.761 9.094 1.00 75.13 H new ATOM 0 HG22 ILE A 104 -22.042 1.647 7.910 1.00 75.13 H new ATOM 0 HG23 ILE A 104 -22.409 -0.054 8.282 1.00 75.13 H new ATOM 0 HD11 ILE A 104 -18.606 -1.978 8.755 1.00 42.35 H new ATOM 0 HD12 ILE A 104 -18.248 -0.293 8.311 1.00 42.35 H new ATOM 0 HD13 ILE A 104 -19.569 -0.652 9.448 1.00 42.35 H new ATOM 1569 N ILE A 105 -23.262 1.709 5.860 1.00 72.41 N ATOM 1570 CA ILE A 105 -23.951 2.967 5.598 1.00 11.13 C ATOM 1571 C ILE A 105 -23.212 4.139 6.235 1.00 43.31 C ATOM 1572 O ILE A 105 -23.284 4.349 7.446 1.00 71.54 O ATOM 1573 CB ILE A 105 -25.397 2.938 6.127 1.00 21.24 C ATOM 1574 CG1 ILE A 105 -26.119 1.684 5.632 1.00 33.43 C ATOM 1575 CG2 ILE A 105 -26.144 4.191 5.697 1.00 13.51 C ATOM 1576 CD1 ILE A 105 -26.282 1.634 4.128 1.00 11.11 C ATOM 0 H ILE A 105 -23.784 1.055 6.443 1.00 72.41 H new ATOM 0 HA ILE A 105 -23.972 3.097 4.516 1.00 11.13 H new ATOM 0 HB ILE A 105 -25.369 2.912 7.216 1.00 21.24 H new ATOM 0 HG12 ILE A 105 -25.566 0.803 5.959 1.00 33.43 H new ATOM 0 HG13 ILE A 105 -27.103 1.633 6.098 1.00 33.43 H new ATOM 0 HG21 ILE A 105 -27.164 4.155 6.079 1.00 13.51 H new ATOM 0 HG22 ILE A 105 -25.638 5.071 6.095 1.00 13.51 H new ATOM 0 HG23 ILE A 105 -26.166 4.246 4.609 1.00 13.51 H new ATOM 0 HD11 ILE A 105 -26.802 0.718 3.849 1.00 11.11 H new ATOM 0 HD12 ILE A 105 -26.861 2.496 3.796 1.00 11.11 H new ATOM 0 HD13 ILE A 105 -25.300 1.653 3.655 1.00 11.11 H new ATOM 1588 N HIS A 106 -22.503 4.903 5.409 1.00 44.11 N ATOM 1589 CA HIS A 106 -21.753 6.058 5.891 1.00 34.34 C ATOM 1590 C HIS A 106 -22.459 7.358 5.518 1.00 52.02 C ATOM 1591 O HIS A 106 -22.239 8.396 6.144 1.00 2.51 O ATOM 1592 CB HIS A 106 -20.337 6.049 5.314 1.00 22.33 C ATOM 1593 CG HIS A 106 -19.406 7.005 5.995 1.00 1.11 C ATOM 1594 ND1 HIS A 106 -19.401 8.361 5.738 1.00 2.12 N ATOM 1595 CD2 HIS A 106 -18.449 6.797 6.928 1.00 44.21 C ATOM 1596 CE1 HIS A 106 -18.478 8.943 6.484 1.00 70.15 C ATOM 1597 NE2 HIS A 106 -17.887 8.016 7.215 1.00 4.01 N ATOM 0 H HIS A 106 -22.432 4.743 4.404 1.00 44.11 H new ATOM 0 HA HIS A 106 -21.695 5.996 6.978 1.00 34.34 H new ATOM 0 HB2 HIS A 106 -19.929 5.041 5.390 1.00 22.33 H new ATOM 0 HB3 HIS A 106 -20.384 6.294 4.253 1.00 22.33 H new ATOM 0 HD2 HIS A 106 -18.177 5.848 7.366 1.00 44.21 H new ATOM 0 HE1 HIS A 106 -18.247 9.998 6.494 1.00 70.15 H new ATOM 0 HE2 HIS A 106 -17.135 8.179 7.884 1.00 4.01 H new ATOM 1605 N ASP A 107 -23.305 7.295 4.497 1.00 2.53 N ATOM 1606 CA ASP A 107 -24.042 8.467 4.041 1.00 2.33 C ATOM 1607 C ASP A 107 -25.392 8.066 3.455 1.00 53.53 C ATOM 1608 O ASP A 107 -25.537 6.984 2.885 1.00 42.21 O ATOM 1609 CB ASP A 107 -23.228 9.235 2.999 1.00 13.01 C ATOM 1610 CG ASP A 107 -23.430 10.735 3.097 1.00 51.05 C ATOM 1611 OD1 ASP A 107 -23.351 11.272 4.221 1.00 40.31 O ATOM 1612 OD2 ASP A 107 -23.667 11.372 2.048 1.00 71.12 O1- ATOM 0 H ASP A 107 -23.498 6.444 3.969 1.00 2.53 H new ATOM 0 HA ASP A 107 -24.217 9.113 4.902 1.00 2.33 H new ATOM 0 HB2 ASP A 107 -22.170 9.005 3.127 1.00 13.01 H new ATOM 0 HB3 ASP A 107 -23.510 8.898 2.001 1.00 13.01 H new ATOM 1617 N VAL A 108 -26.380 8.944 3.601 1.00 40.23 N ATOM 1618 CA VAL A 108 -27.719 8.681 3.087 1.00 11.03 C ATOM 1619 C VAL A 108 -28.428 9.978 2.712 1.00 62.13 C ATOM 1620 O VAL A 108 -28.606 10.865 3.547 1.00 23.34 O ATOM 1621 CB VAL A 108 -28.576 7.919 4.114 1.00 20.20 C ATOM 1622 CG1 VAL A 108 -29.992 7.729 3.593 1.00 12.41 C ATOM 1623 CG2 VAL A 108 -27.937 6.579 4.450 1.00 33.40 C ATOM 0 H VAL A 108 -26.278 9.843 4.071 1.00 40.23 H new ATOM 0 HA VAL A 108 -27.600 8.064 2.196 1.00 11.03 H new ATOM 0 HB VAL A 108 -28.629 8.510 5.028 1.00 20.20 H new ATOM 0 HG11 VAL A 108 -30.582 7.188 4.333 1.00 12.41 H new ATOM 0 HG12 VAL A 108 -30.445 8.703 3.408 1.00 12.41 H new ATOM 0 HG13 VAL A 108 -29.965 7.159 2.664 1.00 12.41 H new ATOM 0 HG21 VAL A 108 -28.556 6.053 5.177 1.00 33.40 H new ATOM 0 HG22 VAL A 108 -27.853 5.979 3.544 1.00 33.40 H new ATOM 0 HG23 VAL A 108 -26.945 6.744 4.870 1.00 33.40 H new ATOM 1633 N LYS A 109 -28.832 10.082 1.451 1.00 73.05 N ATOM 1634 CA LYS A 109 -29.523 11.270 0.964 1.00 64.22 C ATOM 1635 C LYS A 109 -31.027 11.028 0.881 1.00 55.52 C ATOM 1636 O LYS A 109 -31.473 9.995 0.381 1.00 53.24 O ATOM 1637 CB LYS A 109 -28.985 11.670 -0.411 1.00 5.12 C ATOM 1638 CG LYS A 109 -27.832 12.658 -0.349 1.00 4.01 C ATOM 1639 CD LYS A 109 -28.326 14.095 -0.375 1.00 43.23 C ATOM 1640 CE LYS A 109 -27.335 15.037 0.293 1.00 25.43 C ATOM 1641 NZ LYS A 109 -27.270 14.820 1.765 1.00 11.23 N1+ ATOM 0 H LYS A 109 -28.693 9.357 0.747 1.00 73.05 H new ATOM 0 HA LYS A 109 -29.341 12.081 1.669 1.00 64.22 H new ATOM 0 HB2 LYS A 109 -28.657 10.774 -0.938 1.00 5.12 H new ATOM 0 HB3 LYS A 109 -29.795 12.106 -0.996 1.00 5.12 H new ATOM 0 HG2 LYS A 109 -27.254 12.487 0.559 1.00 4.01 H new ATOM 0 HG3 LYS A 109 -27.160 12.488 -1.191 1.00 4.01 H new ATOM 0 HD2 LYS A 109 -28.487 14.407 -1.407 1.00 43.23 H new ATOM 0 HD3 LYS A 109 -29.289 14.159 0.132 1.00 43.23 H new ATOM 0 HE2 LYS A 109 -26.346 14.890 -0.140 1.00 25.43 H new ATOM 0 HE3 LYS A 109 -27.621 16.069 0.090 1.00 25.43 H new ATOM 0 HZ1 LYS A 109 -26.885 15.670 2.224 1.00 11.23 H new ATOM 0 HZ2 LYS A 109 -28.225 14.632 2.131 1.00 11.23 H new ATOM 0 HZ3 LYS A 109 -26.655 14.007 1.969 1.00 11.23 H new ATOM 1655 N VAL A 110 -31.804 11.986 1.374 1.00 33.40 N ATOM 1656 CA VAL A 110 -33.258 11.879 1.354 1.00 62.24 C ATOM 1657 C VAL A 110 -33.903 13.217 1.009 1.00 62.33 C ATOM 1658 O VAL A 110 -33.604 14.239 1.626 1.00 72.31 O ATOM 1659 CB VAL A 110 -33.804 11.392 2.710 1.00 4.52 C ATOM 1660 CG1 VAL A 110 -33.411 12.355 3.821 1.00 44.34 C ATOM 1661 CG2 VAL A 110 -35.314 11.225 2.646 1.00 54.34 C ATOM 0 H VAL A 110 -31.451 12.846 1.793 1.00 33.40 H new ATOM 0 HA VAL A 110 -33.511 11.148 0.586 1.00 62.24 H new ATOM 0 HB VAL A 110 -33.363 10.420 2.933 1.00 4.52 H new ATOM 0 HG11 VAL A 110 -33.805 11.995 4.771 1.00 44.34 H new ATOM 0 HG12 VAL A 110 -32.324 12.419 3.880 1.00 44.34 H new ATOM 0 HG13 VAL A 110 -33.821 13.342 3.609 1.00 44.34 H new ATOM 0 HG21 VAL A 110 -35.683 10.880 3.612 1.00 54.34 H new ATOM 0 HG22 VAL A 110 -35.776 12.181 2.401 1.00 54.34 H new ATOM 0 HG23 VAL A 110 -35.567 10.493 1.879 1.00 54.34 H new ATOM 1671 N PHE A 111 -34.791 13.201 0.021 1.00 31.14 N ATOM 1672 CA PHE A 111 -35.479 14.413 -0.408 1.00 61.30 C ATOM 1673 C PHE A 111 -36.990 14.267 -0.245 1.00 14.04 C ATOM 1674 O PHE A 111 -37.572 13.259 -0.644 1.00 54.20 O ATOM 1675 CB PHE A 111 -35.140 14.730 -1.865 1.00 25.34 C ATOM 1676 CG PHE A 111 -33.679 14.587 -2.185 1.00 21.54 C ATOM 1677 CD1 PHE A 111 -32.736 15.369 -1.539 1.00 61.01 C ATOM 1678 CD2 PHE A 111 -33.250 13.672 -3.133 1.00 34.24 C ATOM 1679 CE1 PHE A 111 -31.392 15.240 -1.832 1.00 62.23 C ATOM 1680 CE2 PHE A 111 -31.908 13.539 -3.430 1.00 44.30 C ATOM 1681 CZ PHE A 111 -30.977 14.324 -2.778 1.00 45.00 C ATOM 0 H PHE A 111 -35.051 12.362 -0.498 1.00 31.14 H new ATOM 0 HA PHE A 111 -35.141 15.235 0.223 1.00 61.30 H new ATOM 0 HB2 PHE A 111 -35.713 14.069 -2.515 1.00 25.34 H new ATOM 0 HB3 PHE A 111 -35.455 15.749 -2.090 1.00 25.34 H new ATOM 0 HD1 PHE A 111 -33.055 16.087 -0.798 1.00 61.01 H new ATOM 0 HD2 PHE A 111 -33.974 13.056 -3.646 1.00 34.24 H new ATOM 0 HE1 PHE A 111 -30.666 15.855 -1.321 1.00 62.23 H new ATOM 0 HE2 PHE A 111 -31.587 12.822 -4.171 1.00 44.30 H new ATOM 0 HZ PHE A 111 -29.927 14.221 -3.008 1.00 45.00 H new ATOM 1691 N ASN A 112 -37.617 15.280 0.343 1.00 50.25 N ATOM 1692 CA ASN A 112 -39.059 15.265 0.559 1.00 72.43 C ATOM 1693 C ASN A 112 -39.715 16.494 -0.061 1.00 13.34 C ATOM 1694 O ASN A 112 -39.222 17.613 0.083 1.00 60.11 O ATOM 1695 CB ASN A 112 -39.370 15.207 2.057 1.00 64.11 C ATOM 1696 CG ASN A 112 -40.512 14.262 2.374 1.00 42.02 C ATOM 1697 OD1 ASN A 112 -41.627 14.425 1.670 1.00 74.51 O flip ATOM 1698 ND2 ASN A 112 -40.395 13.397 3.241 1.00 45.40 N flip ATOM 0 H ASN A 112 -37.149 16.122 0.679 1.00 50.25 H new ATOM 0 HA ASN A 112 -39.465 14.376 0.075 1.00 72.43 H new ATOM 0 HB2 ASN A 112 -38.479 14.890 2.598 1.00 64.11 H new ATOM 0 HB3 ASN A 112 -39.620 16.207 2.412 1.00 64.11 H new ATOM 0 HD21 ASN A 112 -39.520 13.308 3.757 1.00 45.40 H new ATOM 0 HD22 ASN A 112 -41.173 12.769 3.443 1.00 45.40 H new ATOM 1705 N ARG A 113 -40.830 16.278 -0.751 1.00 20.34 N ATOM 1706 CA ARG A 113 -41.554 17.367 -1.394 1.00 53.42 C ATOM 1707 C ARG A 113 -41.937 18.440 -0.379 1.00 54.43 C ATOM 1708 O ARG A 113 -41.899 19.633 -0.679 1.00 33.44 O ATOM 1709 CB ARG A 113 -42.809 16.835 -2.087 1.00 52.52 C ATOM 1710 CG ARG A 113 -43.734 17.929 -2.598 1.00 1.01 C ATOM 1711 CD ARG A 113 -44.813 17.366 -3.509 1.00 10.22 C ATOM 1712 NE ARG A 113 -45.944 18.280 -3.648 1.00 43.12 N ATOM 1713 CZ ARG A 113 -47.103 17.936 -4.196 1.00 21.52 C ATOM 1714 NH1 ARG A 113 -47.286 16.704 -4.654 1.00 31.21 N1+ ATOM 1715 NH2 ARG A 113 -48.085 18.824 -4.288 1.00 54.41 N ATOM 0 H ARG A 113 -41.252 15.358 -0.879 1.00 20.34 H new ATOM 0 HA ARG A 113 -40.897 17.815 -2.140 1.00 53.42 H new ATOM 0 HB2 ARG A 113 -42.511 16.203 -2.923 1.00 52.52 H new ATOM 0 HB3 ARG A 113 -43.359 16.203 -1.389 1.00 52.52 H new ATOM 0 HG2 ARG A 113 -44.199 18.438 -1.753 1.00 1.01 H new ATOM 0 HG3 ARG A 113 -43.152 18.675 -3.139 1.00 1.01 H new ATOM 0 HD2 ARG A 113 -44.388 17.163 -4.492 1.00 10.22 H new ATOM 0 HD3 ARG A 113 -45.163 16.414 -3.111 1.00 10.22 H new ATOM 0 HE ARG A 113 -45.837 19.235 -3.305 1.00 43.12 H new ATOM 0 HH11 ARG A 113 -46.535 16.018 -4.586 1.00 31.21 H new ATOM 0 HH12 ARG A 113 -48.178 16.443 -5.074 1.00 31.21 H new ATOM 0 HH21 ARG A 113 -47.950 19.772 -3.937 1.00 54.41 H new ATOM 0 HH22 ARG A 113 -48.975 18.558 -4.709 1.00 54.41 H new ATOM 1729 N GLU A 114 -42.304 18.007 0.823 1.00 1.14 N ATOM 1730 CA GLU A 114 -42.695 18.930 1.881 1.00 4.11 C ATOM 1731 C GLU A 114 -41.562 19.902 2.200 1.00 41.23 C ATOM 1732 O GLU A 114 -41.802 21.045 2.588 1.00 33.03 O ATOM 1733 CB GLU A 114 -43.090 18.158 3.141 1.00 54.33 C ATOM 1734 CG GLU A 114 -41.907 17.571 3.892 1.00 44.41 C ATOM 1735 CD GLU A 114 -42.329 16.610 4.987 1.00 52.21 C ATOM 1736 OE1 GLU A 114 -43.487 16.701 5.442 1.00 71.42 O ATOM 1737 OE2 GLU A 114 -41.499 15.768 5.388 1.00 73.01 O1- ATOM 0 H GLU A 114 -42.339 17.023 1.088 1.00 1.14 H new ATOM 0 HA GLU A 114 -43.554 19.502 1.531 1.00 4.11 H new ATOM 0 HB2 GLU A 114 -43.638 18.824 3.808 1.00 54.33 H new ATOM 0 HB3 GLU A 114 -43.770 17.352 2.865 1.00 54.33 H new ATOM 0 HG2 GLU A 114 -41.257 17.051 3.188 1.00 44.41 H new ATOM 0 HG3 GLU A 114 -41.322 18.380 4.329 1.00 44.41 H new ATOM 1744 N ASP A 115 -40.329 19.438 2.034 1.00 61.31 N ATOM 1745 CA ASP A 115 -39.159 20.265 2.305 1.00 32.24 C ATOM 1746 C ASP A 115 -38.968 21.309 1.210 1.00 43.43 C ATOM 1747 O ASP A 115 -38.248 22.290 1.392 1.00 43.12 O ATOM 1748 CB ASP A 115 -37.908 19.393 2.420 1.00 53.53 C ATOM 1749 CG ASP A 115 -36.772 20.100 3.134 1.00 13.43 C ATOM 1750 OD1 ASP A 115 -37.057 20.939 4.015 1.00 74.43 O ATOM 1751 OD2 ASP A 115 -35.600 19.815 2.814 1.00 32.32 O1- ATOM 0 H ASP A 115 -40.113 18.494 1.713 1.00 61.31 H new ATOM 0 HA ASP A 115 -39.320 20.782 3.251 1.00 32.24 H new ATOM 0 HB2 ASP A 115 -38.156 18.477 2.956 1.00 53.53 H new ATOM 0 HB3 ASP A 115 -37.580 19.100 1.423 1.00 53.53 H new ATOM 1756 N GLY A 116 -39.616 21.091 0.070 1.00 54.51 N ATOM 1757 CA GLY A 116 -39.504 22.020 -1.039 1.00 23.20 C ATOM 1758 C GLY A 116 -38.682 21.462 -2.183 1.00 2.22 C ATOM 1759 O GLY A 116 -38.149 22.215 -2.999 1.00 55.14 O ATOM 0 H GLY A 116 -40.218 20.286 -0.105 1.00 54.51 H new ATOM 0 HA2 GLY A 116 -40.501 22.271 -1.401 1.00 23.20 H new ATOM 0 HA3 GLY A 116 -39.050 22.947 -0.688 1.00 23.20 H new ATOM 1763 N ASP A 117 -38.577 20.139 -2.243 1.00 71.14 N ATOM 1764 CA ASP A 117 -37.812 19.480 -3.295 1.00 22.33 C ATOM 1765 C ASP A 117 -38.735 18.963 -4.394 1.00 23.13 C ATOM 1766 O ASP A 117 -39.464 17.992 -4.199 1.00 55.15 O ATOM 1767 CB ASP A 117 -36.994 18.326 -2.715 1.00 15.40 C ATOM 1768 CG ASP A 117 -35.844 18.809 -1.853 1.00 11.35 C ATOM 1769 OD1 ASP A 117 -35.217 19.826 -2.215 1.00 73.13 O ATOM 1770 OD2 ASP A 117 -35.571 18.168 -0.816 1.00 42.23 O1- ATOM 0 H ASP A 117 -39.012 19.502 -1.576 1.00 71.14 H new ATOM 0 HA ASP A 117 -37.133 20.213 -3.730 1.00 22.33 H new ATOM 0 HB2 ASP A 117 -37.645 17.685 -2.121 1.00 15.40 H new ATOM 0 HB3 ASP A 117 -36.603 17.716 -3.529 1.00 15.40 H new ATOM 1775 N GLU A 118 -38.698 19.620 -5.550 1.00 12.24 N ATOM 1776 CA GLU A 118 -39.534 19.227 -6.678 1.00 23.12 C ATOM 1777 C GLU A 118 -39.229 17.795 -7.108 1.00 62.43 C ATOM 1778 O GLU A 118 -38.142 17.275 -6.851 1.00 43.24 O ATOM 1779 CB GLU A 118 -39.319 20.180 -7.856 1.00 34.24 C ATOM 1780 CG GLU A 118 -40.466 20.182 -8.854 1.00 62.21 C ATOM 1781 CD GLU A 118 -41.807 20.450 -8.200 1.00 42.54 C ATOM 1782 OE1 GLU A 118 -42.460 19.477 -7.765 1.00 52.30 O ATOM 1783 OE2 GLU A 118 -42.206 21.631 -8.124 1.00 0.43 O1- ATOM 0 H GLU A 118 -38.099 20.426 -5.729 1.00 12.24 H new ATOM 0 HA GLU A 118 -40.576 19.280 -6.361 1.00 23.12 H new ATOM 0 HB2 GLU A 118 -39.179 21.191 -7.474 1.00 34.24 H new ATOM 0 HB3 GLU A 118 -38.399 19.904 -8.372 1.00 34.24 H new ATOM 0 HG2 GLU A 118 -40.279 20.940 -9.615 1.00 62.21 H new ATOM 0 HG3 GLU A 118 -40.501 19.219 -9.364 1.00 62.21 H new ATOM 1790 N LEU A 119 -40.196 17.161 -7.762 1.00 53.45 N ATOM 1791 CA LEU A 119 -40.034 15.788 -8.227 1.00 44.14 C ATOM 1792 C LEU A 119 -40.822 15.551 -9.511 1.00 13.41 C ATOM 1793 O LEU A 119 -41.768 16.272 -9.831 1.00 3.34 O ATOM 1794 CB LEU A 119 -40.488 14.805 -7.146 1.00 54.15 C ATOM 1795 CG LEU A 119 -39.473 14.501 -6.045 1.00 4.14 C ATOM 1796 CD1 LEU A 119 -40.174 13.967 -4.806 1.00 75.22 C ATOM 1797 CD2 LEU A 119 -38.431 13.509 -6.540 1.00 64.10 C ATOM 0 H LEU A 119 -41.101 17.576 -7.982 1.00 53.45 H new ATOM 0 HA LEU A 119 -38.977 15.624 -8.437 1.00 44.14 H new ATOM 0 HB2 LEU A 119 -41.391 15.200 -6.681 1.00 54.15 H new ATOM 0 HB3 LEU A 119 -40.762 13.867 -7.629 1.00 54.15 H new ATOM 0 HG LEU A 119 -38.965 15.428 -5.779 1.00 4.14 H new ATOM 0 HD11 LEU A 119 -39.435 13.756 -4.033 1.00 75.22 H new ATOM 0 HD12 LEU A 119 -40.881 14.711 -4.439 1.00 75.22 H new ATOM 0 HD13 LEU A 119 -40.708 13.051 -5.057 1.00 75.22 H new ATOM 0 HD21 LEU A 119 -37.716 13.304 -5.743 1.00 64.10 H new ATOM 0 HD22 LEU A 119 -38.922 12.582 -6.834 1.00 64.10 H new ATOM 0 HD23 LEU A 119 -37.907 13.930 -7.398 1.00 64.10 H new ATOM 1809 N PRO A 120 -40.427 14.514 -10.266 1.00 20.10 N ATOM 1810 CA PRO A 120 -41.085 14.157 -11.525 1.00 0.40 C ATOM 1811 C PRO A 120 -42.485 13.592 -11.308 1.00 11.03 C ATOM 1812 O PRO A 120 -42.882 13.265 -10.190 1.00 42.43 O ATOM 1813 CB PRO A 120 -40.162 13.088 -12.116 1.00 45.01 C ATOM 1814 CG PRO A 120 -39.466 12.495 -10.940 1.00 75.10 C ATOM 1815 CD PRO A 120 -39.307 13.612 -9.946 1.00 64.30 C ATOM 0 HA PRO A 120 -41.226 15.023 -12.172 1.00 0.40 H new ATOM 0 HB2 PRO A 120 -40.729 12.334 -12.662 1.00 45.01 H new ATOM 0 HB3 PRO A 120 -39.451 13.523 -12.818 1.00 45.01 H new ATOM 0 HG2 PRO A 120 -40.046 11.675 -10.516 1.00 75.10 H new ATOM 0 HG3 PRO A 120 -38.497 12.086 -11.226 1.00 75.10 H new ATOM 0 HD2 PRO A 120 -39.364 13.248 -8.920 1.00 64.30 H new ATOM 0 HD3 PRO A 120 -38.345 14.112 -10.054 1.00 64.30 H new ATOM 1823 N PRO A 121 -43.251 13.471 -12.403 1.00 13.45 N ATOM 1824 CA PRO A 121 -44.618 12.943 -12.357 1.00 63.41 C ATOM 1825 C PRO A 121 -44.654 11.450 -12.048 1.00 74.12 C ATOM 1826 O PRO A 121 -44.086 10.641 -12.780 1.00 70.11 O ATOM 1827 CB PRO A 121 -45.149 13.210 -13.768 1.00 51.31 C ATOM 1828 CG PRO A 121 -43.932 13.260 -14.627 1.00 10.41 C ATOM 1829 CD PRO A 121 -42.842 13.840 -13.768 1.00 53.13 C ATOM 0 HA PRO A 121 -45.208 13.410 -11.569 1.00 63.41 H new ATOM 0 HB2 PRO A 121 -45.829 12.422 -14.091 1.00 51.31 H new ATOM 0 HB3 PRO A 121 -45.703 14.147 -13.812 1.00 51.31 H new ATOM 0 HG2 PRO A 121 -43.662 12.265 -14.980 1.00 10.41 H new ATOM 0 HG3 PRO A 121 -44.103 13.876 -15.510 1.00 10.41 H new ATOM 0 HD2 PRO A 121 -41.867 13.425 -14.021 1.00 53.13 H new ATOM 0 HD3 PRO A 121 -42.769 14.921 -13.887 1.00 53.13 H new ATOM 1837 N GLY A 122 -45.325 11.092 -10.958 1.00 43.21 N ATOM 1838 CA GLY A 122 -45.422 9.696 -10.571 1.00 45.50 C ATOM 1839 C GLY A 122 -44.664 9.394 -9.294 1.00 61.31 C ATOM 1840 O GLY A 122 -44.935 8.398 -8.624 1.00 64.21 O ATOM 0 H GLY A 122 -45.803 11.743 -10.336 1.00 43.21 H new ATOM 0 HA2 GLY A 122 -46.471 9.431 -10.438 1.00 45.50 H new ATOM 0 HA3 GLY A 122 -45.035 9.071 -11.376 1.00 45.50 H new ATOM 1844 N VAL A 123 -43.711 10.256 -8.955 1.00 20.12 N ATOM 1845 CA VAL A 123 -42.911 10.076 -7.750 1.00 30.11 C ATOM 1846 C VAL A 123 -43.372 11.014 -6.640 1.00 42.43 C ATOM 1847 O VAL A 123 -43.781 12.144 -6.899 1.00 35.02 O ATOM 1848 CB VAL A 123 -41.416 10.322 -8.026 1.00 72.33 C ATOM 1849 CG1 VAL A 123 -40.602 10.157 -6.752 1.00 14.23 C ATOM 1850 CG2 VAL A 123 -40.914 9.385 -9.115 1.00 34.10 C ATOM 0 H VAL A 123 -43.474 11.086 -9.498 1.00 20.12 H new ATOM 0 HA VAL A 123 -43.048 9.043 -7.430 1.00 30.11 H new ATOM 0 HB VAL A 123 -41.293 11.347 -8.375 1.00 72.33 H new ATOM 0 HG11 VAL A 123 -39.548 10.335 -6.968 1.00 14.23 H new ATOM 0 HG12 VAL A 123 -40.945 10.873 -6.005 1.00 14.23 H new ATOM 0 HG13 VAL A 123 -40.728 9.145 -6.368 1.00 14.23 H new ATOM 0 HG21 VAL A 123 -39.856 9.573 -9.297 1.00 34.10 H new ATOM 0 HG22 VAL A 123 -41.050 8.351 -8.797 1.00 34.10 H new ATOM 0 HG23 VAL A 123 -41.476 9.559 -10.032 1.00 34.10 H new ATOM 1860 N ASN A 124 -43.302 10.536 -5.402 1.00 33.12 N ATOM 1861 CA ASN A 124 -43.712 11.331 -4.251 1.00 53.53 C ATOM 1862 C ASN A 124 -42.520 11.646 -3.353 1.00 53.12 C ATOM 1863 O ASN A 124 -42.521 12.641 -2.629 1.00 73.13 O ATOM 1864 CB ASN A 124 -44.787 10.591 -3.450 1.00 43.21 C ATOM 1865 CG ASN A 124 -46.006 10.258 -4.288 1.00 42.43 C ATOM 1866 OD1 ASN A 124 -46.282 10.917 -5.290 1.00 73.31 O ATOM 1867 ND2 ASN A 124 -46.742 9.231 -3.879 1.00 3.04 N ATOM 0 H ASN A 124 -42.965 9.602 -5.170 1.00 33.12 H new ATOM 0 HA ASN A 124 -44.124 12.270 -4.619 1.00 53.53 H new ATOM 0 HB2 ASN A 124 -44.366 9.671 -3.045 1.00 43.21 H new ATOM 0 HB3 ASN A 124 -45.090 11.204 -2.601 1.00 43.21 H new ATOM 0 HD21 ASN A 124 -47.575 8.960 -4.402 1.00 3.04 H new ATOM 0 HD22 ASN A 124 -46.475 8.713 -3.042 1.00 3.04 H new ATOM 1874 N GLN A 125 -41.503 10.791 -3.408 1.00 42.31 N ATOM 1875 CA GLN A 125 -40.305 10.977 -2.600 1.00 61.22 C ATOM 1876 C GLN A 125 -39.082 10.386 -3.295 1.00 32.52 C ATOM 1877 O GLN A 125 -39.208 9.578 -4.215 1.00 3.53 O ATOM 1878 CB GLN A 125 -40.485 10.333 -1.224 1.00 74.32 C ATOM 1879 CG GLN A 125 -41.469 11.071 -0.331 1.00 12.52 C ATOM 1880 CD GLN A 125 -42.899 10.608 -0.530 1.00 12.21 C ATOM 1881 OE1 GLN A 125 -43.802 11.418 -0.737 1.00 35.21 O ATOM 1882 NE2 GLN A 125 -43.111 9.298 -0.469 1.00 13.11 N ATOM 0 H GLN A 125 -41.486 9.963 -4.004 1.00 42.31 H new ATOM 0 HA GLN A 125 -40.147 12.048 -2.473 1.00 61.22 H new ATOM 0 HB2 GLN A 125 -40.825 9.306 -1.355 1.00 74.32 H new ATOM 0 HB3 GLN A 125 -39.517 10.287 -0.724 1.00 74.32 H new ATOM 0 HG2 GLN A 125 -41.186 10.927 0.712 1.00 12.52 H new ATOM 0 HG3 GLN A 125 -41.406 12.140 -0.533 1.00 12.52 H new ATOM 0 HE21 GLN A 125 -42.332 8.663 -0.295 1.00 13.11 H new ATOM 0 HE22 GLN A 125 -44.053 8.927 -0.596 1.00 13.11 H new ATOM 1891 N LEU A 126 -37.899 10.795 -2.849 1.00 13.13 N ATOM 1892 CA LEU A 126 -36.653 10.307 -3.429 1.00 42.24 C ATOM 1893 C LEU A 126 -35.590 10.116 -2.352 1.00 22.01 C ATOM 1894 O LEU A 126 -35.261 11.048 -1.618 1.00 4.43 O ATOM 1895 CB LEU A 126 -36.147 11.280 -4.495 1.00 14.10 C ATOM 1896 CG LEU A 126 -35.096 10.731 -5.461 1.00 62.41 C ATOM 1897 CD1 LEU A 126 -33.765 10.543 -4.751 1.00 34.22 C ATOM 1898 CD2 LEU A 126 -35.567 9.419 -6.072 1.00 54.24 C ATOM 0 H LEU A 126 -37.777 11.463 -2.088 1.00 13.13 H new ATOM 0 HA LEU A 126 -36.851 9.341 -3.894 1.00 42.24 H new ATOM 0 HB2 LEU A 126 -37.001 11.626 -5.077 1.00 14.10 H new ATOM 0 HB3 LEU A 126 -35.729 12.153 -3.993 1.00 14.10 H new ATOM 0 HG LEU A 126 -34.956 11.454 -6.265 1.00 62.41 H new ATOM 0 HD11 LEU A 126 -33.030 10.152 -5.454 1.00 34.22 H new ATOM 0 HD12 LEU A 126 -33.421 11.502 -4.362 1.00 34.22 H new ATOM 0 HD13 LEU A 126 -33.888 9.841 -3.927 1.00 34.22 H new ATOM 0 HD21 LEU A 126 -34.807 9.043 -6.757 1.00 54.24 H new ATOM 0 HD22 LEU A 126 -35.736 8.689 -5.280 1.00 54.24 H new ATOM 0 HD23 LEU A 126 -36.496 9.584 -6.617 1.00 54.24 H new ATOM 1910 N VAL A 127 -35.053 8.903 -2.265 1.00 20.53 N ATOM 1911 CA VAL A 127 -34.025 8.590 -1.281 1.00 45.13 C ATOM 1912 C VAL A 127 -32.987 7.632 -1.855 1.00 1.10 C ATOM 1913 O VAL A 127 -33.321 6.722 -2.614 1.00 14.25 O ATOM 1914 CB VAL A 127 -34.634 7.968 -0.010 1.00 20.41 C ATOM 1915 CG1 VAL A 127 -35.490 6.762 -0.364 1.00 10.03 C ATOM 1916 CG2 VAL A 127 -33.539 7.585 0.973 1.00 54.52 C ATOM 0 H VAL A 127 -35.314 8.121 -2.865 1.00 20.53 H new ATOM 0 HA VAL A 127 -33.541 9.531 -1.020 1.00 45.13 H new ATOM 0 HB VAL A 127 -35.274 8.711 0.466 1.00 20.41 H new ATOM 0 HG11 VAL A 127 -35.912 6.336 0.546 1.00 10.03 H new ATOM 0 HG12 VAL A 127 -36.297 7.071 -1.028 1.00 10.03 H new ATOM 0 HG13 VAL A 127 -34.875 6.014 -0.864 1.00 10.03 H new ATOM 0 HG21 VAL A 127 -33.987 7.147 1.865 1.00 54.52 H new ATOM 0 HG22 VAL A 127 -32.871 6.859 0.509 1.00 54.52 H new ATOM 0 HG23 VAL A 127 -32.972 8.474 1.251 1.00 54.52 H new ATOM 1926 N ARG A 128 -31.728 7.842 -1.488 1.00 4.20 N ATOM 1927 CA ARG A 128 -30.641 6.997 -1.967 1.00 61.44 C ATOM 1928 C ARG A 128 -29.712 6.604 -0.821 1.00 20.05 C ATOM 1929 O ARG A 128 -29.662 7.275 0.210 1.00 44.24 O ATOM 1930 CB ARG A 128 -29.846 7.720 -3.057 1.00 53.24 C ATOM 1931 CG ARG A 128 -30.710 8.246 -4.192 1.00 2.30 C ATOM 1932 CD ARG A 128 -29.965 9.276 -5.028 1.00 44.25 C ATOM 1933 NE ARG A 128 -30.505 9.377 -6.380 1.00 42.20 N ATOM 1934 CZ ARG A 128 -30.153 10.323 -7.243 1.00 12.20 C ATOM 1935 NH1 ARG A 128 -29.265 11.245 -6.896 1.00 23.30 N1+ ATOM 1936 NH2 ARG A 128 -30.688 10.349 -8.457 1.00 64.11 N ATOM 0 H ARG A 128 -31.435 8.590 -0.860 1.00 4.20 H new ATOM 0 HA ARG A 128 -31.077 6.090 -2.386 1.00 61.44 H new ATOM 0 HB2 ARG A 128 -29.304 8.552 -2.608 1.00 53.24 H new ATOM 0 HB3 ARG A 128 -29.101 7.037 -3.465 1.00 53.24 H new ATOM 0 HG2 ARG A 128 -31.022 7.417 -4.827 1.00 2.30 H new ATOM 0 HG3 ARG A 128 -31.616 8.694 -3.784 1.00 2.30 H new ATOM 0 HD2 ARG A 128 -30.023 10.249 -4.541 1.00 44.25 H new ATOM 0 HD3 ARG A 128 -28.910 9.007 -5.078 1.00 44.25 H new ATOM 0 HE ARG A 128 -31.190 8.683 -6.678 1.00 42.20 H new ATOM 0 HH11 ARG A 128 -28.850 11.229 -5.964 1.00 23.30 H new ATOM 0 HH12 ARG A 128 -28.997 11.970 -7.561 1.00 23.30 H new ATOM 0 HH21 ARG A 128 -31.371 9.642 -8.729 1.00 64.11 H new ATOM 0 HH22 ARG A 128 -30.416 11.076 -9.119 1.00 64.11 H new ATOM 1950 N VAL A 129 -28.977 5.513 -1.010 1.00 61.44 N ATOM 1951 CA VAL A 129 -28.051 5.030 0.007 1.00 71.52 C ATOM 1952 C VAL A 129 -26.613 5.063 -0.501 1.00 13.23 C ATOM 1953 O VAL A 129 -26.363 4.919 -1.698 1.00 34.03 O ATOM 1954 CB VAL A 129 -28.395 3.594 0.445 1.00 44.32 C ATOM 1955 CG1 VAL A 129 -27.547 3.182 1.638 1.00 3.32 C ATOM 1956 CG2 VAL A 129 -29.877 3.479 0.769 1.00 62.34 C ATOM 0 H VAL A 129 -29.005 4.947 -1.858 1.00 61.44 H new ATOM 0 HA VAL A 129 -28.148 5.696 0.865 1.00 71.52 H new ATOM 0 HB VAL A 129 -28.172 2.917 -0.379 1.00 44.32 H new ATOM 0 HG11 VAL A 129 -27.804 2.165 1.933 1.00 3.32 H new ATOM 0 HG12 VAL A 129 -26.492 3.226 1.367 1.00 3.32 H new ATOM 0 HG13 VAL A 129 -27.736 3.860 2.470 1.00 3.32 H new ATOM 0 HG21 VAL A 129 -30.104 2.458 1.077 1.00 62.34 H new ATOM 0 HG22 VAL A 129 -30.127 4.166 1.577 1.00 62.34 H new ATOM 0 HG23 VAL A 129 -30.463 3.730 -0.115 1.00 62.34 H new ATOM 1966 N TYR A 130 -25.671 5.253 0.417 1.00 2.33 N ATOM 1967 CA TYR A 130 -24.259 5.307 0.063 1.00 2.11 C ATOM 1968 C TYR A 130 -23.444 4.346 0.923 1.00 50.21 C ATOM 1969 O TYR A 130 -23.317 4.536 2.133 1.00 35.14 O ATOM 1970 CB TYR A 130 -23.724 6.732 0.222 1.00 54.22 C ATOM 1971 CG TYR A 130 -24.289 7.707 -0.785 1.00 50.10 C ATOM 1972 CD1 TYR A 130 -25.632 8.061 -0.761 1.00 41.25 C ATOM 1973 CD2 TYR A 130 -23.479 8.274 -1.761 1.00 64.34 C ATOM 1974 CE1 TYR A 130 -26.152 8.952 -1.682 1.00 42.45 C ATOM 1975 CE2 TYR A 130 -23.989 9.166 -2.683 1.00 13.34 C ATOM 1976 CZ TYR A 130 -25.327 9.501 -2.640 1.00 23.14 C ATOM 1977 OH TYR A 130 -25.841 10.390 -3.557 1.00 43.15 O ATOM 0 H TYR A 130 -25.861 5.372 1.412 1.00 2.33 H new ATOM 0 HA TYR A 130 -24.161 5.005 -0.980 1.00 2.11 H new ATOM 0 HB2 TYR A 130 -23.953 7.087 1.227 1.00 54.22 H new ATOM 0 HB3 TYR A 130 -22.638 6.716 0.130 1.00 54.22 H new ATOM 0 HD1 TYR A 130 -26.281 7.633 -0.011 1.00 41.25 H new ATOM 0 HD2 TYR A 130 -22.432 8.012 -1.799 1.00 64.34 H new ATOM 0 HE1 TYR A 130 -27.199 9.216 -1.651 1.00 42.45 H new ATOM 0 HE2 TYR A 130 -23.345 9.599 -3.434 1.00 13.34 H new ATOM 0 HH TYR A 130 -25.128 10.685 -4.162 1.00 43.15 H new ATOM 1987 N ILE A 131 -22.894 3.315 0.291 1.00 62.14 N ATOM 1988 CA ILE A 131 -22.090 2.326 0.997 1.00 14.52 C ATOM 1989 C ILE A 131 -20.662 2.295 0.463 1.00 32.22 C ATOM 1990 O ILE A 131 -20.436 2.039 -0.719 1.00 50.11 O ATOM 1991 CB ILE A 131 -22.701 0.917 0.880 1.00 53.44 C ATOM 1992 CG1 ILE A 131 -23.927 0.792 1.786 1.00 75.34 C ATOM 1993 CG2 ILE A 131 -21.665 -0.140 1.232 1.00 74.22 C ATOM 1994 CD1 ILE A 131 -25.238 0.779 1.031 1.00 41.20 C ATOM 0 H ILE A 131 -22.991 3.143 -0.710 1.00 62.14 H new ATOM 0 HA ILE A 131 -22.076 2.621 2.046 1.00 14.52 H new ATOM 0 HB ILE A 131 -23.017 0.759 -0.151 1.00 53.44 H new ATOM 0 HG12 ILE A 131 -23.845 -0.124 2.371 1.00 75.34 H new ATOM 0 HG13 ILE A 131 -23.932 1.622 2.493 1.00 75.34 H new ATOM 0 HG21 ILE A 131 -22.112 -1.130 1.145 1.00 74.22 H new ATOM 0 HG22 ILE A 131 -20.819 -0.062 0.549 1.00 74.22 H new ATOM 0 HG23 ILE A 131 -21.321 0.014 2.255 1.00 74.22 H new ATOM 0 HD11 ILE A 131 -26.064 0.688 1.737 1.00 41.20 H new ATOM 0 HD12 ILE A 131 -25.343 1.706 0.468 1.00 41.20 H new ATOM 0 HD13 ILE A 131 -25.254 -0.067 0.344 1.00 41.20 H new ATOM 2006 N VAL A 132 -19.701 2.556 1.344 1.00 41.23 N ATOM 2007 CA VAL A 132 -18.294 2.555 0.962 1.00 34.34 C ATOM 2008 C VAL A 132 -17.694 1.159 1.081 1.00 0.01 C ATOM 2009 O VAL A 132 -17.976 0.432 2.033 1.00 51.31 O ATOM 2010 CB VAL A 132 -17.477 3.530 1.830 1.00 61.21 C ATOM 2011 CG1 VAL A 132 -17.899 4.966 1.564 1.00 1.22 C ATOM 2012 CG2 VAL A 132 -17.629 3.186 3.304 1.00 73.24 C ATOM 0 H VAL A 132 -19.871 2.771 2.326 1.00 41.23 H new ATOM 0 HA VAL A 132 -18.247 2.880 -0.078 1.00 34.34 H new ATOM 0 HB VAL A 132 -16.425 3.431 1.563 1.00 61.21 H new ATOM 0 HG11 VAL A 132 -17.310 5.640 2.187 1.00 1.22 H new ATOM 0 HG12 VAL A 132 -17.733 5.205 0.514 1.00 1.22 H new ATOM 0 HG13 VAL A 132 -18.956 5.084 1.801 1.00 1.22 H new ATOM 0 HG21 VAL A 132 -17.045 3.885 3.903 1.00 73.24 H new ATOM 0 HG22 VAL A 132 -18.679 3.255 3.587 1.00 73.24 H new ATOM 0 HG23 VAL A 132 -17.272 2.171 3.480 1.00 73.24 H new ATOM 2022 N GLN A 133 -16.864 0.793 0.109 1.00 42.41 N ATOM 2023 CA GLN A 133 -16.224 -0.517 0.106 1.00 12.41 C ATOM 2024 C GLN A 133 -14.892 -0.474 0.850 1.00 54.20 C ATOM 2025 O GLN A 133 -13.950 0.190 0.419 1.00 2.20 O ATOM 2026 CB GLN A 133 -16.003 -0.997 -1.330 1.00 71.20 C ATOM 2027 CG GLN A 133 -17.195 -1.739 -1.912 1.00 14.21 C ATOM 2028 CD GLN A 133 -18.176 -0.815 -2.607 1.00 65.31 C ATOM 2029 OE1 GLN A 133 -17.951 -0.390 -3.741 1.00 73.53 O ATOM 2030 NE2 GLN A 133 -19.272 -0.498 -1.928 1.00 12.32 N ATOM 0 H GLN A 133 -16.619 1.384 -0.685 1.00 42.41 H new ATOM 0 HA GLN A 133 -16.884 -1.217 0.619 1.00 12.41 H new ATOM 0 HB2 GLN A 133 -15.777 -0.138 -1.961 1.00 71.20 H new ATOM 0 HB3 GLN A 133 -15.131 -1.650 -1.356 1.00 71.20 H new ATOM 0 HG2 GLN A 133 -16.841 -2.487 -2.622 1.00 14.21 H new ATOM 0 HG3 GLN A 133 -17.709 -2.275 -1.114 1.00 14.21 H new ATOM 0 HE21 GLN A 133 -19.418 -0.873 -0.991 1.00 12.32 H new ATOM 0 HE22 GLN A 133 -19.968 0.121 -2.344 1.00 12.32 H new