USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=9 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 15 SER OG : rot 93:sc= -1.66 USER MOD Set 1.2: A 63 LYS NZ :NH3+ -141:sc= -1.09 (180deg=-3.73!) USER MOD Single : A 9 HIS : no HD1:sc= -0.269 X(o=-0.27,f=-0.084) USER MOD Single : A 13 TYR OH : rot 30:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.258 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 33 ASN : amide:sc= -0.125 X(o=-0.13,f=-0.13) USER MOD Single : A 41 ASN : amide:sc= -0.711 K(o=-0.71,f=-1.5) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0221 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -30:sc= -0.0566 USER MOD Single : A 94 SER OG : rot -128:sc= 1.35 USER MOD Single : A 99 HIS : no HD1:sc= -0.0757 X(o=-0.076,f=-0.032) USER MOD Single : A 106 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=-0.3) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 124 ASN : amide:sc= -0.0203 K(o=-0.02,f=-1.4) USER MOD Single : A 125 GLN : amide:sc= -2.67 K(o=-2.7,f=-5.5!) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -0.958 K(o=-0.96,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 94 N HIS A 9 -14.430 1.797 -3.213 1.00 22.41 N ATOM 95 CA HIS A 9 -15.588 1.902 -4.094 1.00 40.14 C ATOM 96 C HIS A 9 -16.744 2.606 -3.389 1.00 0.44 C ATOM 97 O HIS A 9 -16.789 2.668 -2.160 1.00 31.34 O ATOM 98 CB HIS A 9 -16.029 0.514 -4.559 1.00 13.31 C ATOM 99 CG HIS A 9 -15.455 0.116 -5.884 1.00 14.24 C ATOM 100 ND1 HIS A 9 -15.133 -1.186 -6.204 1.00 60.14 N ATOM 101 CD2 HIS A 9 -15.146 0.858 -6.974 1.00 65.44 C ATOM 102 CE1 HIS A 9 -14.650 -1.228 -7.433 1.00 42.51 C ATOM 103 NE2 HIS A 9 -14.648 -0.001 -7.922 1.00 14.34 N ATOM 0 HA HIS A 9 -15.300 2.494 -4.963 1.00 40.14 H new ATOM 0 HB2 HIS A 9 -15.736 -0.221 -3.810 1.00 13.31 H new ATOM 0 HB3 HIS A 9 -17.117 0.489 -4.621 1.00 13.31 H new ATOM 0 HD2 HIS A 9 -15.268 1.926 -7.078 1.00 65.44 H new ATOM 0 HE1 HIS A 9 -14.314 -2.115 -7.950 1.00 42.51 H new ATOM 0 HE2 HIS A 9 -14.328 0.265 -8.853 1.00 14.34 H new ATOM 111 N ILE A 10 -17.675 3.136 -4.175 1.00 62.41 N ATOM 112 CA ILE A 10 -18.830 3.835 -3.625 1.00 5.23 C ATOM 113 C ILE A 10 -20.130 3.291 -4.209 1.00 41.15 C ATOM 114 O ILE A 10 -20.371 3.390 -5.411 1.00 13.04 O ATOM 115 CB ILE A 10 -18.753 5.349 -3.896 1.00 51.44 C ATOM 116 CG1 ILE A 10 -17.578 5.966 -3.134 1.00 72.52 C ATOM 117 CG2 ILE A 10 -20.059 6.024 -3.504 1.00 54.40 C ATOM 118 CD1 ILE A 10 -17.759 5.954 -1.632 1.00 33.02 C ATOM 0 H ILE A 10 -17.652 3.095 -5.194 1.00 62.41 H new ATOM 0 HA ILE A 10 -18.819 3.666 -2.548 1.00 5.23 H new ATOM 0 HB ILE A 10 -18.592 5.505 -4.963 1.00 51.44 H new ATOM 0 HG12 ILE A 10 -16.667 5.424 -3.386 1.00 72.52 H new ATOM 0 HG13 ILE A 10 -17.439 6.995 -3.467 1.00 72.52 H new ATOM 0 HG21 ILE A 10 -19.989 7.094 -3.701 1.00 54.40 H new ATOM 0 HG22 ILE A 10 -20.877 5.600 -4.087 1.00 54.40 H new ATOM 0 HG23 ILE A 10 -20.248 5.862 -2.443 1.00 54.40 H new ATOM 0 HD11 ILE A 10 -16.889 6.406 -1.157 1.00 33.02 H new ATOM 0 HD12 ILE A 10 -18.652 6.521 -1.369 1.00 33.02 H new ATOM 0 HD13 ILE A 10 -17.867 4.926 -1.287 1.00 33.02 H new ATOM 130 N GLU A 11 -20.966 2.719 -3.347 1.00 14.33 N ATOM 131 CA GLU A 11 -22.242 2.161 -3.778 1.00 21.25 C ATOM 132 C GLU A 11 -23.318 3.242 -3.832 1.00 42.40 C ATOM 133 O GLU A 11 -23.220 4.263 -3.153 1.00 51.11 O ATOM 134 CB GLU A 11 -22.678 1.039 -2.834 1.00 50.43 C ATOM 135 CG GLU A 11 -22.309 -0.350 -3.328 1.00 44.11 C ATOM 136 CD GLU A 11 -23.379 -0.956 -4.216 1.00 11.42 C ATOM 137 OE1 GLU A 11 -24.250 -0.201 -4.696 1.00 55.02 O ATOM 138 OE2 GLU A 11 -23.343 -2.186 -4.431 1.00 31.51 O1- ATOM 0 H GLU A 11 -20.782 2.630 -2.348 1.00 14.33 H new ATOM 0 HA GLU A 11 -22.111 1.753 -4.780 1.00 21.25 H new ATOM 0 HB2 GLU A 11 -22.223 1.201 -1.857 1.00 50.43 H new ATOM 0 HB3 GLU A 11 -23.758 1.091 -2.696 1.00 50.43 H new ATOM 0 HG2 GLU A 11 -21.370 -0.298 -3.880 1.00 44.11 H new ATOM 0 HG3 GLU A 11 -22.140 -1.003 -2.472 1.00 44.11 H new ATOM 145 N GLU A 12 -24.343 3.008 -4.645 1.00 22.22 N ATOM 146 CA GLU A 12 -25.436 3.962 -4.789 1.00 35.34 C ATOM 147 C GLU A 12 -26.772 3.240 -4.947 1.00 30.44 C ATOM 148 O GLU A 12 -27.023 2.593 -5.964 1.00 41.32 O ATOM 149 CB GLU A 12 -25.192 4.875 -5.992 1.00 64.20 C ATOM 150 CG GLU A 12 -24.346 6.095 -5.669 1.00 75.35 C ATOM 151 CD GLU A 12 -22.899 5.931 -6.093 1.00 25.02 C ATOM 152 OE1 GLU A 12 -22.472 4.777 -6.308 1.00 51.50 O ATOM 153 OE2 GLU A 12 -22.195 6.955 -6.210 1.00 22.11 O1- ATOM 0 H GLU A 12 -24.439 2.167 -5.214 1.00 22.22 H new ATOM 0 HA GLU A 12 -25.475 4.569 -3.884 1.00 35.34 H new ATOM 0 HB2 GLU A 12 -24.702 4.302 -6.779 1.00 64.20 H new ATOM 0 HB3 GLU A 12 -26.153 5.204 -6.388 1.00 64.20 H new ATOM 0 HG2 GLU A 12 -24.769 6.968 -6.166 1.00 75.35 H new ATOM 0 HG3 GLU A 12 -24.387 6.287 -4.597 1.00 75.35 H new ATOM 160 N TYR A 13 -27.624 3.356 -3.935 1.00 22.50 N ATOM 161 CA TYR A 13 -28.932 2.712 -3.960 1.00 61.54 C ATOM 162 C TYR A 13 -30.041 3.741 -4.154 1.00 2.15 C ATOM 163 O TYR A 13 -29.929 4.882 -3.707 1.00 12.31 O ATOM 164 CB TYR A 13 -29.164 1.933 -2.664 1.00 3.33 C ATOM 165 CG TYR A 13 -28.398 0.632 -2.595 1.00 52.40 C ATOM 166 CD1 TYR A 13 -27.010 0.622 -2.529 1.00 2.40 C ATOM 167 CD2 TYR A 13 -29.062 -0.589 -2.593 1.00 44.14 C ATOM 168 CE1 TYR A 13 -26.306 -0.565 -2.467 1.00 40.42 C ATOM 169 CE2 TYR A 13 -28.367 -1.781 -2.529 1.00 2.10 C ATOM 170 CZ TYR A 13 -26.989 -1.763 -2.466 1.00 52.02 C ATOM 171 OH TYR A 13 -26.291 -2.948 -2.402 1.00 41.41 O ATOM 0 H TYR A 13 -27.433 3.890 -3.087 1.00 22.50 H new ATOM 0 HA TYR A 13 -28.953 2.019 -4.801 1.00 61.54 H new ATOM 0 HB2 TYR A 13 -28.879 2.558 -1.818 1.00 3.33 H new ATOM 0 HB3 TYR A 13 -30.229 1.724 -2.561 1.00 3.33 H new ATOM 0 HD1 TYR A 13 -26.472 1.559 -2.526 1.00 2.40 H new ATOM 0 HD2 TYR A 13 -30.141 -0.606 -2.642 1.00 44.14 H new ATOM 0 HE1 TYR A 13 -25.227 -0.555 -2.420 1.00 40.42 H new ATOM 0 HE2 TYR A 13 -28.899 -2.721 -2.528 1.00 2.10 H new ATOM 0 HH TYR A 13 -25.457 -2.810 -1.906 1.00 41.41 H new ATOM 181 N GLU A 14 -31.113 3.327 -4.823 1.00 51.13 N ATOM 182 CA GLU A 14 -32.243 4.212 -5.077 1.00 44.05 C ATOM 183 C GLU A 14 -33.496 3.714 -4.362 1.00 34.43 C ATOM 184 O GLU A 14 -33.627 2.525 -4.073 1.00 43.23 O ATOM 185 CB GLU A 14 -32.509 4.318 -6.580 1.00 41.01 C ATOM 186 CG GLU A 14 -32.993 5.691 -7.018 1.00 63.43 C ATOM 187 CD GLU A 14 -32.957 5.869 -8.523 1.00 53.14 C ATOM 188 OE1 GLU A 14 -32.776 4.860 -9.235 1.00 2.11 O ATOM 189 OE2 GLU A 14 -33.110 7.018 -8.989 1.00 40.11 O1- ATOM 0 H GLU A 14 -31.222 2.385 -5.198 1.00 51.13 H new ATOM 0 HA GLU A 14 -31.992 5.199 -4.689 1.00 44.05 H new ATOM 0 HB2 GLU A 14 -31.594 4.075 -7.120 1.00 41.01 H new ATOM 0 HB3 GLU A 14 -33.253 3.573 -6.862 1.00 41.01 H new ATOM 0 HG2 GLU A 14 -34.012 5.844 -6.662 1.00 63.43 H new ATOM 0 HG3 GLU A 14 -32.374 6.457 -6.550 1.00 63.43 H new ATOM 196 N SER A 15 -34.413 4.633 -4.078 1.00 45.22 N ATOM 197 CA SER A 15 -35.653 4.289 -3.393 1.00 21.12 C ATOM 198 C SER A 15 -36.639 5.453 -3.436 1.00 40.40 C ATOM 199 O SER A 15 -36.442 6.471 -2.774 1.00 61.11 O ATOM 200 CB SER A 15 -35.368 3.903 -1.940 1.00 50.55 C ATOM 201 OG SER A 15 -36.329 4.465 -1.064 1.00 60.35 O ATOM 0 H SER A 15 -34.321 5.622 -4.312 1.00 45.22 H new ATOM 0 HA SER A 15 -36.099 3.438 -3.908 1.00 21.12 H new ATOM 0 HB2 SER A 15 -35.373 2.817 -1.841 1.00 50.55 H new ATOM 0 HB3 SER A 15 -34.372 4.244 -1.659 1.00 50.55 H new ATOM 0 HG SER A 15 -37.056 3.824 -0.921 1.00 60.35 H new ATOM 207 N GLU A 16 -37.700 5.293 -4.222 1.00 11.34 N ATOM 208 CA GLU A 16 -38.716 6.330 -4.353 1.00 40.23 C ATOM 209 C GLU A 16 -40.114 5.749 -4.167 1.00 3.23 C ATOM 210 O GLU A 16 -40.411 4.653 -4.642 1.00 64.35 O ATOM 211 CB GLU A 16 -38.611 7.008 -5.721 1.00 4.30 C ATOM 212 CG GLU A 16 -39.147 6.160 -6.862 1.00 43.20 C ATOM 213 CD GLU A 16 -38.515 6.510 -8.195 1.00 63.23 C ATOM 214 OE1 GLU A 16 -37.661 7.421 -8.225 1.00 62.45 O ATOM 215 OE2 GLU A 16 -38.873 5.873 -9.208 1.00 71.20 O1- ATOM 0 H GLU A 16 -37.877 4.456 -4.777 1.00 11.34 H new ATOM 0 HA GLU A 16 -38.544 7.072 -3.573 1.00 40.23 H new ATOM 0 HB2 GLU A 16 -39.157 7.951 -5.693 1.00 4.30 H new ATOM 0 HB3 GLU A 16 -37.567 7.250 -5.918 1.00 4.30 H new ATOM 0 HG2 GLU A 16 -38.966 5.108 -6.644 1.00 43.20 H new ATOM 0 HG3 GLU A 16 -40.227 6.291 -6.931 1.00 43.20 H new ATOM 222 N ALA A 17 -40.969 6.491 -3.470 1.00 45.31 N ATOM 223 CA ALA A 17 -42.337 6.050 -3.222 1.00 31.31 C ATOM 224 C ALA A 17 -43.199 6.206 -4.470 1.00 53.14 C ATOM 225 O ALA A 17 -43.680 7.299 -4.771 1.00 52.54 O ATOM 226 CB ALA A 17 -42.939 6.828 -2.061 1.00 33.40 C ATOM 0 H ALA A 17 -40.739 7.399 -3.067 1.00 45.31 H new ATOM 0 HA ALA A 17 -42.310 4.992 -2.961 1.00 31.31 H new ATOM 0 HB1 ALA A 17 -43.960 6.489 -1.886 1.00 33.40 H new ATOM 0 HB2 ALA A 17 -42.343 6.662 -1.164 1.00 33.40 H new ATOM 0 HB3 ALA A 17 -42.946 7.891 -2.300 1.00 33.40 H new ATOM 232 N ARG A 18 -43.390 5.108 -5.193 1.00 33.11 N ATOM 233 CA ARG A 18 -44.193 5.124 -6.409 1.00 74.51 C ATOM 234 C ARG A 18 -45.679 5.013 -6.082 1.00 1.22 C ATOM 235 O ARG A 18 -46.081 4.208 -5.240 1.00 0.43 O ATOM 236 CB ARG A 18 -43.777 3.979 -7.335 1.00 24.01 C ATOM 237 CG ARG A 18 -42.272 3.848 -7.503 1.00 71.34 C ATOM 238 CD ARG A 18 -41.919 3.000 -8.715 1.00 21.32 C ATOM 239 NE ARG A 18 -42.125 1.576 -8.465 1.00 34.15 N ATOM 240 CZ ARG A 18 -41.693 0.617 -9.277 1.00 3.12 C ATOM 241 NH1 ARG A 18 -41.035 0.928 -10.385 1.00 25.32 N1+ ATOM 242 NH2 ARG A 18 -41.920 -0.657 -8.981 1.00 33.24 N ATOM 0 H ARG A 18 -42.999 4.196 -4.958 1.00 33.11 H new ATOM 0 HA ARG A 18 -44.020 6.074 -6.915 1.00 74.51 H new ATOM 0 HB2 ARG A 18 -44.173 3.043 -6.942 1.00 24.01 H new ATOM 0 HB3 ARG A 18 -44.232 4.131 -8.314 1.00 24.01 H new ATOM 0 HG2 ARG A 18 -41.829 4.838 -7.609 1.00 71.34 H new ATOM 0 HG3 ARG A 18 -41.842 3.401 -6.607 1.00 71.34 H new ATOM 0 HD2 ARG A 18 -42.527 3.311 -9.564 1.00 21.32 H new ATOM 0 HD3 ARG A 18 -40.878 3.173 -8.988 1.00 21.32 H new ATOM 0 HE ARG A 18 -42.628 1.303 -7.621 1.00 34.15 H new ATOM 0 HH11 ARG A 18 -40.859 1.906 -10.616 1.00 25.32 H new ATOM 0 HH12 ARG A 18 -40.705 0.190 -11.006 1.00 25.32 H new ATOM 0 HH21 ARG A 18 -42.426 -0.900 -8.130 1.00 33.24 H new ATOM 0 HH22 ARG A 18 -41.588 -1.393 -9.605 1.00 33.24 H new ATOM 256 N ASP A 19 -46.489 5.825 -6.751 1.00 32.20 N ATOM 257 CA ASP A 19 -47.931 5.818 -6.532 1.00 41.34 C ATOM 258 C ASP A 19 -48.551 4.520 -7.038 1.00 44.41 C ATOM 259 O ASP A 19 -48.277 4.082 -8.156 1.00 5.35 O ATOM 260 CB ASP A 19 -48.580 7.014 -7.229 1.00 22.55 C ATOM 261 CG ASP A 19 -48.488 6.924 -8.739 1.00 73.34 C ATOM 262 OD1 ASP A 19 -47.420 6.520 -9.246 1.00 3.01 O ATOM 263 OD2 ASP A 19 -49.485 7.256 -9.415 1.00 24.34 O1- ATOM 0 H ASP A 19 -46.172 6.497 -7.450 1.00 32.20 H new ATOM 0 HA ASP A 19 -48.111 5.891 -5.460 1.00 41.34 H new ATOM 0 HB2 ASP A 19 -49.628 7.078 -6.935 1.00 22.55 H new ATOM 0 HB3 ASP A 19 -48.098 7.932 -6.893 1.00 22.55 H new ATOM 268 N THR A 20 -49.389 3.906 -6.208 1.00 61.12 N ATOM 269 CA THR A 20 -50.046 2.657 -6.570 1.00 12.12 C ATOM 270 C THR A 20 -51.287 2.914 -7.416 1.00 54.32 C ATOM 271 O THR A 20 -51.746 4.051 -7.535 1.00 54.42 O ATOM 272 CB THR A 20 -50.449 1.851 -5.320 1.00 40.23 C ATOM 273 OG1 THR A 20 -51.007 0.591 -5.709 1.00 70.42 O ATOM 274 CG2 THR A 20 -51.457 2.621 -4.481 1.00 72.02 C ATOM 0 H THR A 20 -49.628 4.254 -5.280 1.00 61.12 H new ATOM 0 HA THR A 20 -49.327 2.079 -7.150 1.00 12.12 H new ATOM 0 HB THR A 20 -49.555 1.682 -4.720 1.00 40.23 H new ATOM 0 HG1 THR A 20 -51.259 0.084 -4.909 1.00 70.42 H new ATOM 0 HG21 THR A 20 -51.726 2.032 -3.604 1.00 72.02 H new ATOM 0 HG22 THR A 20 -51.018 3.566 -4.162 1.00 72.02 H new ATOM 0 HG23 THR A 20 -52.350 2.817 -5.074 1.00 72.02 H new ATOM 282 N LYS A 21 -51.828 1.852 -8.003 1.00 3.44 N ATOM 283 CA LYS A 21 -53.019 1.962 -8.838 1.00 22.44 C ATOM 284 C LYS A 21 -54.285 1.806 -8.002 1.00 14.33 C ATOM 285 O LYS A 21 -55.393 1.754 -8.539 1.00 74.45 O ATOM 286 CB LYS A 21 -52.991 0.904 -9.943 1.00 24.43 C ATOM 287 CG LYS A 21 -52.822 -0.514 -9.425 1.00 51.34 C ATOM 288 CD LYS A 21 -54.067 -1.349 -9.668 1.00 33.02 C ATOM 289 CE LYS A 21 -54.314 -2.326 -8.528 1.00 63.52 C ATOM 290 NZ LYS A 21 -55.683 -2.910 -8.585 1.00 64.01 N1+ ATOM 0 H LYS A 21 -51.461 0.904 -7.916 1.00 3.44 H new ATOM 0 HA LYS A 21 -53.024 2.953 -9.292 1.00 22.44 H new ATOM 0 HB2 LYS A 21 -53.917 0.965 -10.516 1.00 24.43 H new ATOM 0 HB3 LYS A 21 -52.176 1.130 -10.630 1.00 24.43 H new ATOM 0 HG2 LYS A 21 -51.968 -0.982 -9.915 1.00 51.34 H new ATOM 0 HG3 LYS A 21 -52.603 -0.489 -8.358 1.00 51.34 H new ATOM 0 HD2 LYS A 21 -54.930 -0.693 -9.780 1.00 33.02 H new ATOM 0 HD3 LYS A 21 -53.961 -1.899 -10.603 1.00 33.02 H new ATOM 0 HE2 LYS A 21 -53.576 -3.127 -8.569 1.00 63.52 H new ATOM 0 HE3 LYS A 21 -54.177 -1.815 -7.575 1.00 63.52 H new ATOM 0 HZ1 LYS A 21 -55.812 -3.570 -7.792 1.00 64.01 H new ATOM 0 HZ2 LYS A 21 -56.388 -2.148 -8.520 1.00 64.01 H new ATOM 0 HZ3 LYS A 21 -55.806 -3.420 -9.483 1.00 64.01 H new ATOM 304 N LEU A 22 -54.115 1.734 -6.687 1.00 11.11 N ATOM 305 CA LEU A 22 -55.246 1.586 -5.776 1.00 62.04 C ATOM 306 C LEU A 22 -55.598 2.919 -5.125 1.00 2.31 C ATOM 307 O LEU A 22 -56.554 3.012 -4.356 1.00 51.15 O ATOM 308 CB LEU A 22 -54.926 0.548 -4.699 1.00 32.22 C ATOM 309 CG LEU A 22 -56.033 -0.459 -4.388 1.00 53.13 C ATOM 310 CD1 LEU A 22 -57.268 0.252 -3.856 1.00 24.41 C ATOM 311 CD2 LEU A 22 -56.377 -1.274 -5.626 1.00 34.53 C ATOM 0 H LEU A 22 -53.206 1.776 -6.227 1.00 11.11 H new ATOM 0 HA LEU A 22 -56.105 1.247 -6.355 1.00 62.04 H new ATOM 0 HB2 LEU A 22 -54.037 -0.003 -5.006 1.00 32.22 H new ATOM 0 HB3 LEU A 22 -54.672 1.075 -3.779 1.00 32.22 H new ATOM 0 HG LEU A 22 -55.671 -1.140 -3.618 1.00 53.13 H new ATOM 0 HD11 LEU A 22 -58.045 -0.481 -3.640 1.00 24.41 H new ATOM 0 HD12 LEU A 22 -57.013 0.790 -2.943 1.00 24.41 H new ATOM 0 HD13 LEU A 22 -57.632 0.957 -4.603 1.00 24.41 H new ATOM 0 HD21 LEU A 22 -57.167 -1.986 -5.385 1.00 34.53 H new ATOM 0 HD22 LEU A 22 -56.718 -0.607 -6.418 1.00 34.53 H new ATOM 0 HD23 LEU A 22 -55.492 -1.814 -5.963 1.00 34.53 H new ATOM 323 N GLY A 23 -54.820 3.950 -5.440 1.00 52.15 N ATOM 324 CA GLY A 23 -55.068 5.265 -4.878 1.00 43.34 C ATOM 325 C GLY A 23 -54.294 5.504 -3.597 1.00 14.33 C ATOM 326 O GLY A 23 -54.837 5.421 -2.495 1.00 42.31 O ATOM 0 H GLY A 23 -54.023 3.898 -6.074 1.00 52.15 H new ATOM 0 HA2 GLY A 23 -54.797 6.026 -5.610 1.00 43.34 H new ATOM 0 HA3 GLY A 23 -56.134 5.377 -4.681 1.00 43.34 H new ATOM 330 N PRO A 24 -52.994 5.805 -3.733 1.00 42.45 N ATOM 331 CA PRO A 24 -52.117 6.061 -2.587 1.00 55.11 C ATOM 332 C PRO A 24 -52.448 7.373 -1.885 1.00 31.25 C ATOM 333 O PRO A 24 -53.233 8.175 -2.388 1.00 23.44 O ATOM 334 CB PRO A 24 -50.723 6.128 -3.216 1.00 4.11 C ATOM 335 CG PRO A 24 -50.964 6.533 -4.629 1.00 61.03 C ATOM 336 CD PRO A 24 -52.282 5.920 -5.016 1.00 45.53 C ATOM 0 HA PRO A 24 -52.217 5.295 -1.818 1.00 55.11 H new ATOM 0 HB2 PRO A 24 -50.090 6.850 -2.700 1.00 4.11 H new ATOM 0 HB3 PRO A 24 -50.217 5.164 -3.161 1.00 4.11 H new ATOM 0 HG2 PRO A 24 -50.995 7.618 -4.724 1.00 61.03 H new ATOM 0 HG3 PRO A 24 -50.163 6.179 -5.278 1.00 61.03 H new ATOM 0 HD2 PRO A 24 -52.825 6.548 -5.722 1.00 45.53 H new ATOM 0 HD3 PRO A 24 -52.149 4.948 -5.490 1.00 45.53 H new ATOM 344 N GLU A 25 -51.844 7.584 -0.719 1.00 30.43 N ATOM 345 CA GLU A 25 -52.077 8.800 0.052 1.00 61.13 C ATOM 346 C GLU A 25 -50.779 9.306 0.674 1.00 2.52 C ATOM 347 O GLU A 25 -50.503 10.505 0.671 1.00 75.32 O ATOM 348 CB GLU A 25 -53.115 8.545 1.146 1.00 32.13 C ATOM 349 CG GLU A 25 -54.549 8.585 0.646 1.00 54.54 C ATOM 350 CD GLU A 25 -55.025 9.994 0.351 1.00 55.02 C ATOM 351 OE1 GLU A 25 -54.993 10.837 1.272 1.00 54.21 O ATOM 352 OE2 GLU A 25 -55.429 10.254 -0.802 1.00 12.11 O1- ATOM 0 H GLU A 25 -51.191 6.930 -0.288 1.00 30.43 H new ATOM 0 HA GLU A 25 -52.456 9.564 -0.627 1.00 61.13 H new ATOM 0 HB2 GLU A 25 -52.923 7.571 1.597 1.00 32.13 H new ATOM 0 HB3 GLU A 25 -52.992 9.290 1.932 1.00 32.13 H new ATOM 0 HG2 GLU A 25 -54.632 7.981 -0.258 1.00 54.54 H new ATOM 0 HG3 GLU A 25 -55.203 8.133 1.392 1.00 54.54 H new ATOM 359 N GLU A 26 -49.986 8.382 1.208 1.00 43.40 N ATOM 360 CA GLU A 26 -48.718 8.734 1.836 1.00 42.11 C ATOM 361 C GLU A 26 -47.841 7.499 2.023 1.00 25.51 C ATOM 362 O GLU A 26 -48.340 6.376 2.088 1.00 40.12 O ATOM 363 CB GLU A 26 -48.962 9.409 3.188 1.00 74.23 C ATOM 364 CG GLU A 26 -49.463 8.457 4.261 1.00 70.14 C ATOM 365 CD GLU A 26 -50.362 9.140 5.273 1.00 31.34 C ATOM 366 OE1 GLU A 26 -51.265 9.893 4.853 1.00 24.24 O ATOM 367 OE2 GLU A 26 -50.162 8.921 6.486 1.00 61.41 O1- ATOM 0 H GLU A 26 -50.199 7.385 1.218 1.00 43.40 H new ATOM 0 HA GLU A 26 -48.198 9.431 1.178 1.00 42.11 H new ATOM 0 HB2 GLU A 26 -48.034 9.870 3.527 1.00 74.23 H new ATOM 0 HB3 GLU A 26 -49.688 10.212 3.058 1.00 74.23 H new ATOM 0 HG2 GLU A 26 -50.008 7.639 3.790 1.00 70.14 H new ATOM 0 HG3 GLU A 26 -48.610 8.016 4.777 1.00 70.14 H new ATOM 374 N ILE A 27 -46.533 7.717 2.107 1.00 34.23 N ATOM 375 CA ILE A 27 -45.587 6.623 2.287 1.00 51.54 C ATOM 376 C ILE A 27 -45.608 6.108 3.722 1.00 3.43 C ATOM 377 O ILE A 27 -45.689 6.887 4.672 1.00 75.14 O ATOM 378 CB ILE A 27 -44.152 7.054 1.929 1.00 31.11 C ATOM 379 CG1 ILE A 27 -43.244 5.829 1.807 1.00 64.55 C ATOM 380 CG2 ILE A 27 -43.613 8.019 2.974 1.00 22.12 C ATOM 381 CD1 ILE A 27 -41.808 6.173 1.478 1.00 33.44 C ATOM 0 H ILE A 27 -46.104 8.641 2.053 1.00 34.23 H new ATOM 0 HA ILE A 27 -45.897 5.825 1.612 1.00 51.54 H new ATOM 0 HB ILE A 27 -44.171 7.565 0.967 1.00 31.11 H new ATOM 0 HG12 ILE A 27 -43.271 5.272 2.744 1.00 64.55 H new ATOM 0 HG13 ILE A 27 -43.638 5.170 1.033 1.00 64.55 H new ATOM 0 HG21 ILE A 27 -42.598 8.315 2.707 1.00 22.12 H new ATOM 0 HG22 ILE A 27 -44.249 8.903 3.016 1.00 22.12 H new ATOM 0 HG23 ILE A 27 -43.605 7.532 3.949 1.00 22.12 H new ATOM 0 HD11 ILE A 27 -41.222 5.257 1.407 1.00 33.44 H new ATOM 0 HD12 ILE A 27 -41.770 6.703 0.527 1.00 33.44 H new ATOM 0 HD13 ILE A 27 -41.397 6.807 2.263 1.00 33.44 H new ATOM 393 N THR A 28 -45.532 4.789 3.873 1.00 23.51 N ATOM 394 CA THR A 28 -45.542 4.169 5.192 1.00 45.35 C ATOM 395 C THR A 28 -44.551 3.013 5.263 1.00 32.33 C ATOM 396 O THR A 28 -43.949 2.636 4.257 1.00 33.43 O ATOM 397 CB THR A 28 -46.945 3.652 5.560 1.00 53.03 C ATOM 398 OG1 THR A 28 -46.979 3.265 6.938 1.00 4.11 O ATOM 399 CG2 THR A 28 -47.332 2.469 4.686 1.00 21.31 C ATOM 0 H THR A 28 -45.463 4.130 3.098 1.00 23.51 H new ATOM 0 HA THR A 28 -45.249 4.939 5.905 1.00 45.35 H new ATOM 0 HB THR A 28 -47.660 4.457 5.392 1.00 53.03 H new ATOM 0 HG1 THR A 28 -47.875 2.939 7.164 1.00 4.11 H new ATOM 0 HG21 THR A 28 -48.327 2.121 4.964 1.00 21.31 H new ATOM 0 HG22 THR A 28 -47.334 2.775 3.640 1.00 21.31 H new ATOM 0 HG23 THR A 28 -46.613 1.662 4.827 1.00 21.31 H new ATOM 407 N ARG A 29 -44.388 2.452 6.457 1.00 14.42 N ATOM 408 CA ARG A 29 -43.470 1.338 6.659 1.00 74.04 C ATOM 409 C ARG A 29 -44.208 0.116 7.196 1.00 61.04 C ATOM 410 O ARG A 29 -44.826 0.169 8.260 1.00 23.41 O ATOM 411 CB ARG A 29 -42.353 1.738 7.624 1.00 13.44 C ATOM 412 CG ARG A 29 -42.859 2.242 8.966 1.00 21.03 C ATOM 413 CD ARG A 29 -42.651 1.210 10.063 1.00 15.43 C ATOM 414 NE ARG A 29 -41.523 1.549 10.927 1.00 11.32 N ATOM 415 CZ ARG A 29 -41.322 1.004 12.121 1.00 74.13 C ATOM 416 NH1 ARG A 29 -42.169 0.099 12.592 1.00 53.55 N1+ ATOM 417 NH2 ARG A 29 -40.272 1.365 12.848 1.00 74.03 N ATOM 0 H ARG A 29 -44.880 2.751 7.299 1.00 14.42 H new ATOM 0 HA ARG A 29 -43.032 1.081 5.694 1.00 74.04 H new ATOM 0 HB2 ARG A 29 -41.703 0.879 7.790 1.00 13.44 H new ATOM 0 HB3 ARG A 29 -41.744 2.514 7.160 1.00 13.44 H new ATOM 0 HG2 ARG A 29 -42.340 3.164 9.229 1.00 21.03 H new ATOM 0 HG3 ARG A 29 -43.919 2.484 8.889 1.00 21.03 H new ATOM 0 HD2 ARG A 29 -43.557 1.132 10.664 1.00 15.43 H new ATOM 0 HD3 ARG A 29 -42.482 0.232 9.613 1.00 15.43 H new ATOM 0 HE ARG A 29 -40.853 2.243 10.595 1.00 11.32 H new ATOM 0 HH11 ARG A 29 -42.978 -0.180 12.037 1.00 53.55 H new ATOM 0 HH12 ARG A 29 -42.012 -0.318 13.510 1.00 53.55 H new ATOM 0 HH21 ARG A 29 -39.619 2.062 12.490 1.00 74.03 H new ATOM 0 HH22 ARG A 29 -40.118 0.946 13.765 1.00 74.03 H new ATOM 431 N ASP A 30 -44.139 -0.984 6.455 1.00 64.35 N ATOM 432 CA ASP A 30 -44.800 -2.220 6.857 1.00 0.23 C ATOM 433 C ASP A 30 -43.988 -3.437 6.423 1.00 34.02 C ATOM 434 O ASP A 30 -44.249 -4.028 5.375 1.00 14.01 O ATOM 435 CB ASP A 30 -46.206 -2.290 6.257 1.00 31.35 C ATOM 436 CG ASP A 30 -46.849 -3.650 6.447 1.00 31.41 C ATOM 437 OD1 ASP A 30 -47.396 -3.900 7.541 1.00 64.23 O ATOM 438 OD2 ASP A 30 -46.806 -4.463 5.501 1.00 50.33 O1- ATOM 0 H ASP A 30 -43.632 -1.045 5.572 1.00 64.35 H new ATOM 0 HA ASP A 30 -44.876 -2.225 7.944 1.00 0.23 H new ATOM 0 HB2 ASP A 30 -46.833 -1.527 6.718 1.00 31.35 H new ATOM 0 HB3 ASP A 30 -46.156 -2.061 5.193 1.00 31.35 H new ATOM 443 N ILE A 31 -43.003 -3.804 7.236 1.00 63.23 N ATOM 444 CA ILE A 31 -42.153 -4.949 6.936 1.00 25.31 C ATOM 445 C ILE A 31 -42.415 -6.097 7.905 1.00 64.24 C ATOM 446 O ILE A 31 -41.694 -6.293 8.884 1.00 20.01 O ATOM 447 CB ILE A 31 -40.660 -4.574 6.994 1.00 73.13 C ATOM 448 CG1 ILE A 31 -40.437 -3.186 6.390 1.00 24.14 C ATOM 449 CG2 ILE A 31 -39.823 -5.615 6.266 1.00 43.12 C ATOM 450 CD1 ILE A 31 -40.924 -3.062 4.963 1.00 71.21 C ATOM 0 H ILE A 31 -42.774 -3.325 8.107 1.00 63.23 H new ATOM 0 HA ILE A 31 -42.400 -5.267 5.923 1.00 25.31 H new ATOM 0 HB ILE A 31 -40.347 -4.550 8.038 1.00 73.13 H new ATOM 0 HG12 ILE A 31 -40.947 -2.445 7.005 1.00 24.14 H new ATOM 0 HG13 ILE A 31 -39.373 -2.951 6.424 1.00 24.14 H new ATOM 0 HG21 ILE A 31 -38.771 -5.336 6.316 1.00 43.12 H new ATOM 0 HG22 ILE A 31 -39.963 -6.588 6.737 1.00 43.12 H new ATOM 0 HG23 ILE A 31 -40.135 -5.668 5.223 1.00 43.12 H new ATOM 0 HD11 ILE A 31 -40.734 -2.052 4.600 1.00 71.21 H new ATOM 0 HD12 ILE A 31 -40.396 -3.779 4.335 1.00 71.21 H new ATOM 0 HD13 ILE A 31 -41.994 -3.265 4.925 1.00 71.21 H new ATOM 462 N PRO A 32 -43.471 -6.876 7.628 1.00 34.15 N ATOM 463 CA PRO A 32 -43.851 -8.020 8.462 1.00 63.53 C ATOM 464 C PRO A 32 -42.853 -9.168 8.362 1.00 74.13 C ATOM 465 O PRO A 32 -42.190 -9.338 7.340 1.00 52.54 O ATOM 466 CB PRO A 32 -45.209 -8.439 7.892 1.00 61.33 C ATOM 467 CG PRO A 32 -45.188 -7.965 6.479 1.00 72.25 C ATOM 468 CD PRO A 32 -44.374 -6.701 6.478 1.00 11.40 C ATOM 0 HA PRO A 32 -43.879 -7.761 9.520 1.00 63.53 H new ATOM 0 HB2 PRO A 32 -45.345 -9.519 7.945 1.00 61.33 H new ATOM 0 HB3 PRO A 32 -46.029 -7.987 8.449 1.00 61.33 H new ATOM 0 HG2 PRO A 32 -44.746 -8.714 5.823 1.00 72.25 H new ATOM 0 HG3 PRO A 32 -46.198 -7.779 6.115 1.00 72.25 H new ATOM 0 HD2 PRO A 32 -43.820 -6.580 5.547 1.00 11.40 H new ATOM 0 HD3 PRO A 32 -45.003 -5.818 6.592 1.00 11.40 H new ATOM 476 N ASN A 33 -42.754 -9.954 9.429 1.00 71.22 N ATOM 477 CA ASN A 33 -41.836 -11.088 9.460 1.00 2.45 C ATOM 478 C ASN A 33 -40.388 -10.618 9.358 1.00 2.05 C ATOM 479 O ASN A 33 -39.522 -11.342 8.867 1.00 32.14 O ATOM 480 CB ASN A 33 -42.151 -12.057 8.319 1.00 52.30 C ATOM 481 CG ASN A 33 -43.641 -12.271 8.137 1.00 14.10 C ATOM 482 OD1 ASN A 33 -44.335 -12.697 9.060 1.00 31.13 O ATOM 483 ND2 ASN A 33 -44.139 -11.977 6.942 1.00 31.33 N ATOM 0 H ASN A 33 -43.297 -9.827 10.283 1.00 71.22 H new ATOM 0 HA ASN A 33 -41.966 -11.603 10.412 1.00 2.45 H new ATOM 0 HB2 ASN A 33 -41.726 -11.673 7.392 1.00 52.30 H new ATOM 0 HB3 ASN A 33 -41.671 -13.015 8.517 1.00 52.30 H new ATOM 0 HD21 ASN A 33 -45.135 -12.102 6.760 1.00 31.33 H new ATOM 0 HD22 ASN A 33 -43.526 -11.626 6.206 1.00 31.33 H new ATOM 490 N VAL A 34 -40.132 -9.400 9.827 1.00 34.42 N ATOM 491 CA VAL A 34 -38.789 -8.834 9.791 1.00 3.55 C ATOM 492 C VAL A 34 -38.072 -9.034 11.121 1.00 63.25 C ATOM 493 O VAL A 34 -38.708 -9.174 12.166 1.00 72.34 O ATOM 494 CB VAL A 34 -38.823 -7.330 9.459 1.00 61.54 C ATOM 495 CG1 VAL A 34 -39.399 -6.539 10.623 1.00 74.44 C ATOM 496 CG2 VAL A 34 -37.431 -6.832 9.102 1.00 63.24 C ATOM 0 H VAL A 34 -40.837 -8.787 10.236 1.00 34.42 H new ATOM 0 HA VAL A 34 -38.245 -9.360 9.006 1.00 3.55 H new ATOM 0 HB VAL A 34 -39.470 -7.181 8.595 1.00 61.54 H new ATOM 0 HG11 VAL A 34 -39.415 -5.479 10.370 1.00 74.44 H new ATOM 0 HG12 VAL A 34 -40.414 -6.879 10.827 1.00 74.44 H new ATOM 0 HG13 VAL A 34 -38.781 -6.692 11.508 1.00 74.44 H new ATOM 0 HG21 VAL A 34 -37.474 -5.768 8.870 1.00 63.24 H new ATOM 0 HG22 VAL A 34 -36.760 -6.993 9.945 1.00 63.24 H new ATOM 0 HG23 VAL A 34 -37.061 -7.378 8.234 1.00 63.24 H new ATOM 506 N GLY A 35 -36.744 -9.045 11.076 1.00 71.54 N ATOM 507 CA GLY A 35 -35.961 -9.228 12.285 1.00 61.21 C ATOM 508 C GLY A 35 -35.838 -7.952 13.094 1.00 63.23 C ATOM 509 O GLY A 35 -35.974 -6.853 12.556 1.00 50.52 O ATOM 0 H GLY A 35 -36.195 -8.930 10.224 1.00 71.54 H new ATOM 0 HA2 GLY A 35 -36.422 -10.001 12.899 1.00 61.21 H new ATOM 0 HA3 GLY A 35 -34.965 -9.584 12.019 1.00 61.21 H new ATOM 513 N GLU A 36 -35.582 -8.097 14.390 1.00 25.34 N ATOM 514 CA GLU A 36 -35.443 -6.946 15.275 1.00 23.30 C ATOM 515 C GLU A 36 -34.135 -6.209 15.007 1.00 75.14 C ATOM 516 O GLU A 36 -34.016 -5.014 15.280 1.00 34.31 O ATOM 517 CB GLU A 36 -35.502 -7.390 16.738 1.00 11.14 C ATOM 518 CG GLU A 36 -34.275 -8.165 17.188 1.00 41.24 C ATOM 519 CD GLU A 36 -34.473 -8.844 18.529 1.00 1.32 C ATOM 520 OE1 GLU A 36 -35.626 -9.203 18.848 1.00 11.12 O ATOM 521 OE2 GLU A 36 -33.475 -9.016 19.260 1.00 24.50 O1- ATOM 0 H GLU A 36 -35.467 -9.000 14.851 1.00 25.34 H new ATOM 0 HA GLU A 36 -36.270 -6.265 15.076 1.00 23.30 H new ATOM 0 HB2 GLU A 36 -35.619 -6.511 17.371 1.00 11.14 H new ATOM 0 HB3 GLU A 36 -36.387 -8.009 16.886 1.00 11.14 H new ATOM 0 HG2 GLU A 36 -34.029 -8.916 16.437 1.00 41.24 H new ATOM 0 HG3 GLU A 36 -33.424 -7.487 17.251 1.00 41.24 H new ATOM 528 N ASP A 37 -33.155 -6.929 14.472 1.00 22.02 N ATOM 529 CA ASP A 37 -31.855 -6.345 14.166 1.00 32.15 C ATOM 530 C ASP A 37 -31.958 -5.372 12.995 1.00 14.55 C ATOM 531 O ASP A 37 -31.307 -4.328 12.984 1.00 61.42 O ATOM 532 CB ASP A 37 -30.841 -7.443 13.845 1.00 75.52 C ATOM 533 CG ASP A 37 -31.343 -8.403 12.785 1.00 61.23 C ATOM 534 OD1 ASP A 37 -32.185 -9.264 13.115 1.00 2.44 O ATOM 535 OD2 ASP A 37 -30.894 -8.295 11.624 1.00 44.23 O1- ATOM 0 H ASP A 37 -33.237 -7.919 14.241 1.00 22.02 H new ATOM 0 HA ASP A 37 -31.516 -5.795 15.044 1.00 32.15 H new ATOM 0 HB2 ASP A 37 -29.911 -6.987 13.506 1.00 75.52 H new ATOM 0 HB3 ASP A 37 -30.611 -7.998 14.754 1.00 75.52 H new ATOM 540 N ALA A 38 -32.779 -5.724 12.011 1.00 41.12 N ATOM 541 CA ALA A 38 -32.968 -4.882 10.836 1.00 33.22 C ATOM 542 C ALA A 38 -33.636 -3.563 11.208 1.00 61.11 C ATOM 543 O ALA A 38 -33.506 -2.567 10.495 1.00 73.30 O ATOM 544 CB ALA A 38 -33.791 -5.616 9.788 1.00 54.45 C ATOM 0 H ALA A 38 -33.324 -6.586 12.004 1.00 41.12 H new ATOM 0 HA ALA A 38 -31.987 -4.657 10.419 1.00 33.22 H new ATOM 0 HB1 ALA A 38 -33.924 -4.976 8.916 1.00 54.45 H new ATOM 0 HB2 ALA A 38 -33.273 -6.528 9.492 1.00 54.45 H new ATOM 0 HB3 ALA A 38 -34.766 -5.871 10.204 1.00 54.45 H new ATOM 550 N LEU A 39 -34.351 -3.562 12.327 1.00 44.35 N ATOM 551 CA LEU A 39 -35.041 -2.364 12.794 1.00 51.12 C ATOM 552 C LEU A 39 -34.424 -1.850 14.090 1.00 25.44 C ATOM 553 O LEU A 39 -35.018 -1.030 14.790 1.00 75.32 O ATOM 554 CB LEU A 39 -36.528 -2.657 13.004 1.00 75.42 C ATOM 555 CG LEU A 39 -36.857 -3.811 13.951 1.00 63.45 C ATOM 556 CD1 LEU A 39 -36.861 -3.332 15.395 1.00 3.12 C ATOM 557 CD2 LEU A 39 -38.198 -4.432 13.590 1.00 33.13 C ATOM 0 H LEU A 39 -34.468 -4.377 12.928 1.00 44.35 H new ATOM 0 HA LEU A 39 -34.933 -1.592 12.032 1.00 51.12 H new ATOM 0 HB2 LEU A 39 -37.006 -1.754 13.384 1.00 75.42 H new ATOM 0 HB3 LEU A 39 -36.976 -2.870 12.034 1.00 75.42 H new ATOM 0 HG LEU A 39 -36.086 -4.574 13.845 1.00 63.45 H new ATOM 0 HD11 LEU A 39 -37.097 -4.167 16.055 1.00 3.12 H new ATOM 0 HD12 LEU A 39 -35.878 -2.935 15.649 1.00 3.12 H new ATOM 0 HD13 LEU A 39 -37.611 -2.550 15.517 1.00 3.12 H new ATOM 0 HD21 LEU A 39 -38.415 -5.252 14.275 1.00 33.13 H new ATOM 0 HD22 LEU A 39 -38.981 -3.677 13.667 1.00 33.13 H new ATOM 0 HD23 LEU A 39 -38.160 -4.812 12.569 1.00 33.13 H new ATOM 569 N ARG A 40 -33.227 -2.337 14.404 1.00 20.52 N ATOM 570 CA ARG A 40 -32.529 -1.926 15.616 1.00 43.52 C ATOM 571 C ARG A 40 -32.002 -0.501 15.483 1.00 33.33 C ATOM 572 O ARG A 40 -31.863 0.215 16.474 1.00 61.33 O ATOM 573 CB ARG A 40 -31.373 -2.884 15.913 1.00 31.43 C ATOM 574 CG ARG A 40 -30.151 -2.652 15.040 1.00 41.24 C ATOM 575 CD ARG A 40 -29.229 -3.861 15.041 1.00 43.45 C ATOM 576 NE ARG A 40 -28.224 -3.783 16.098 1.00 63.04 N ATOM 577 CZ ARG A 40 -27.504 -4.822 16.506 1.00 32.22 C ATOM 578 NH1 ARG A 40 -27.677 -6.012 15.948 1.00 22.50 N1+ ATOM 579 NH2 ARG A 40 -26.609 -4.671 17.474 1.00 20.05 N ATOM 0 H ARG A 40 -32.721 -3.016 13.836 1.00 20.52 H new ATOM 0 HA ARG A 40 -33.239 -1.956 16.443 1.00 43.52 H new ATOM 0 HB2 ARG A 40 -31.086 -2.781 16.960 1.00 31.43 H new ATOM 0 HB3 ARG A 40 -31.717 -3.909 15.776 1.00 31.43 H new ATOM 0 HG2 ARG A 40 -30.467 -2.435 14.020 1.00 41.24 H new ATOM 0 HG3 ARG A 40 -29.607 -1.778 15.398 1.00 41.24 H new ATOM 0 HD2 ARG A 40 -29.820 -4.768 15.169 1.00 43.45 H new ATOM 0 HD3 ARG A 40 -28.732 -3.939 14.074 1.00 43.45 H new ATOM 0 HE ARG A 40 -28.066 -2.881 16.548 1.00 63.04 H new ATOM 0 HH11 ARG A 40 -28.364 -6.131 15.204 1.00 22.50 H new ATOM 0 HH12 ARG A 40 -27.123 -6.808 16.263 1.00 22.50 H new ATOM 0 HH21 ARG A 40 -26.474 -3.757 17.905 1.00 20.05 H new ATOM 0 HH22 ARG A 40 -26.056 -5.469 17.787 1.00 20.05 H new ATOM 593 N ASN A 41 -31.708 -0.096 14.251 1.00 55.32 N ATOM 594 CA ASN A 41 -31.195 1.243 13.989 1.00 71.13 C ATOM 595 C ASN A 41 -32.295 2.151 13.447 1.00 35.30 C ATOM 596 O ASN A 41 -32.250 3.370 13.619 1.00 31.23 O ATOM 597 CB ASN A 41 -30.034 1.181 12.994 1.00 34.41 C ATOM 598 CG ASN A 41 -29.168 -0.048 13.192 1.00 10.32 C ATOM 599 OD1 ASN A 41 -29.343 -1.060 12.513 1.00 32.53 O ATOM 600 ND2 ASN A 41 -28.228 0.035 14.126 1.00 61.32 N ATOM 0 H ASN A 41 -31.816 -0.676 13.419 1.00 55.32 H new ATOM 0 HA ASN A 41 -30.837 1.658 14.931 1.00 71.13 H new ATOM 0 HB2 ASN A 41 -30.429 1.184 11.978 1.00 34.41 H new ATOM 0 HB3 ASN A 41 -29.420 2.076 13.100 1.00 34.41 H new ATOM 0 HD21 ASN A 41 -27.615 -0.760 14.305 1.00 61.32 H new ATOM 0 HD22 ASN A 41 -28.119 0.894 14.665 1.00 61.32 H new ATOM 607 N LEU A 42 -33.282 1.549 12.793 1.00 5.31 N ATOM 608 CA LEU A 42 -34.396 2.302 12.226 1.00 1.45 C ATOM 609 C LEU A 42 -35.026 3.214 13.274 1.00 41.30 C ATOM 610 O LEU A 42 -35.248 2.805 14.414 1.00 64.12 O ATOM 611 CB LEU A 42 -35.450 1.347 11.664 1.00 35.41 C ATOM 612 CG LEU A 42 -36.298 1.887 10.512 1.00 32.44 C ATOM 613 CD1 LEU A 42 -35.592 1.672 9.182 1.00 21.05 C ATOM 614 CD2 LEU A 42 -37.668 1.225 10.503 1.00 43.22 C ATOM 0 H LEU A 42 -33.334 0.542 12.642 1.00 5.31 H new ATOM 0 HA LEU A 42 -34.009 2.922 11.417 1.00 1.45 H new ATOM 0 HB2 LEU A 42 -34.947 0.441 11.325 1.00 35.41 H new ATOM 0 HB3 LEU A 42 -36.118 1.056 12.475 1.00 35.41 H new ATOM 0 HG LEU A 42 -36.434 2.958 10.658 1.00 32.44 H new ATOM 0 HD11 LEU A 42 -36.211 2.063 8.374 1.00 21.05 H new ATOM 0 HD12 LEU A 42 -34.634 2.193 9.190 1.00 21.05 H new ATOM 0 HD13 LEU A 42 -35.424 0.606 9.027 1.00 21.05 H new ATOM 0 HD21 LEU A 42 -38.258 1.621 9.677 1.00 43.22 H new ATOM 0 HD22 LEU A 42 -37.551 0.148 10.382 1.00 43.22 H new ATOM 0 HD23 LEU A 42 -38.178 1.431 11.444 1.00 43.22 H new ATOM 626 N ASP A 43 -35.314 4.449 12.880 1.00 10.14 N ATOM 627 CA ASP A 43 -35.923 5.418 13.785 1.00 31.33 C ATOM 628 C ASP A 43 -37.436 5.460 13.598 1.00 31.33 C ATOM 629 O ASP A 43 -37.999 4.674 12.836 1.00 2.34 O ATOM 630 CB ASP A 43 -35.329 6.808 13.552 1.00 44.20 C ATOM 631 CG ASP A 43 -35.452 7.256 12.108 1.00 54.04 C ATOM 632 OD1 ASP A 43 -36.163 6.579 11.335 1.00 1.31 O ATOM 633 OD2 ASP A 43 -34.838 8.283 11.752 1.00 30.34 O1- ATOM 0 H ASP A 43 -35.136 4.803 11.940 1.00 10.14 H new ATOM 0 HA ASP A 43 -35.710 5.107 14.808 1.00 31.33 H new ATOM 0 HB2 ASP A 43 -35.833 7.528 14.197 1.00 44.20 H new ATOM 0 HB3 ASP A 43 -34.278 6.804 13.840 1.00 44.20 H new ATOM 638 N ASP A 44 -38.088 6.380 14.299 1.00 73.33 N ATOM 639 CA ASP A 44 -39.537 6.525 14.211 1.00 11.43 C ATOM 640 C ASP A 44 -39.956 6.949 12.806 1.00 44.41 C ATOM 641 O ASP A 44 -41.120 6.813 12.428 1.00 0.12 O ATOM 642 CB ASP A 44 -40.032 7.547 15.235 1.00 63.23 C ATOM 643 CG ASP A 44 -41.540 7.528 15.389 1.00 31.34 C ATOM 644 OD1 ASP A 44 -42.113 6.422 15.475 1.00 40.13 O ATOM 645 OD2 ASP A 44 -42.147 8.619 15.422 1.00 13.32 O1- ATOM 0 H ASP A 44 -37.637 7.037 14.935 1.00 73.33 H new ATOM 0 HA ASP A 44 -39.988 5.557 14.429 1.00 11.43 H new ATOM 0 HB2 ASP A 44 -39.568 7.344 16.200 1.00 63.23 H new ATOM 0 HB3 ASP A 44 -39.713 8.544 14.932 1.00 63.23 H new ATOM 650 N ARG A 45 -39.000 7.463 12.039 1.00 71.11 N ATOM 651 CA ARG A 45 -39.271 7.909 10.678 1.00 52.13 C ATOM 652 C ARG A 45 -39.381 6.720 9.728 1.00 35.45 C ATOM 653 O ARG A 45 -39.984 6.819 8.660 1.00 3.22 O ATOM 654 CB ARG A 45 -38.169 8.857 10.200 1.00 65.04 C ATOM 655 CG ARG A 45 -37.862 9.977 11.181 1.00 43.34 C ATOM 656 CD ARG A 45 -36.941 11.019 10.566 1.00 43.42 C ATOM 657 NE ARG A 45 -36.540 12.035 11.535 1.00 64.23 N ATOM 658 CZ ARG A 45 -35.842 13.119 11.217 1.00 23.12 C ATOM 659 NH1 ARG A 45 -35.469 13.327 9.961 1.00 63.01 N1+ ATOM 660 NH2 ARG A 45 -35.516 13.999 12.155 1.00 3.01 N ATOM 0 H ARG A 45 -38.032 7.581 12.337 1.00 71.11 H new ATOM 0 HA ARG A 45 -40.223 8.440 10.679 1.00 52.13 H new ATOM 0 HB2 ARG A 45 -37.260 8.283 10.021 1.00 65.04 H new ATOM 0 HB3 ARG A 45 -38.465 9.292 9.245 1.00 65.04 H new ATOM 0 HG2 ARG A 45 -38.791 10.452 11.496 1.00 43.34 H new ATOM 0 HG3 ARG A 45 -37.398 9.562 12.075 1.00 43.34 H new ATOM 0 HD2 ARG A 45 -36.053 10.528 10.167 1.00 43.42 H new ATOM 0 HD3 ARG A 45 -37.445 11.498 9.726 1.00 43.42 H new ATOM 0 HE ARG A 45 -36.811 11.905 12.510 1.00 64.23 H new ATOM 0 HH11 ARG A 45 -35.718 12.653 9.237 1.00 63.01 H new ATOM 0 HH12 ARG A 45 -34.933 14.161 9.720 1.00 63.01 H new ATOM 0 HH21 ARG A 45 -35.802 13.843 13.122 1.00 3.01 H new ATOM 0 HH22 ARG A 45 -34.980 14.831 11.909 1.00 3.01 H new ATOM 674 N GLY A 46 -38.792 5.596 10.124 1.00 63.25 N ATOM 675 CA GLY A 46 -38.834 4.404 9.297 1.00 13.20 C ATOM 676 C GLY A 46 -37.616 4.274 8.405 1.00 41.41 C ATOM 677 O GLY A 46 -37.655 3.587 7.384 1.00 11.40 O ATOM 0 H GLY A 46 -38.286 5.489 11.003 1.00 63.25 H new ATOM 0 HA2 GLY A 46 -38.908 3.524 9.936 1.00 13.20 H new ATOM 0 HA3 GLY A 46 -39.732 4.425 8.680 1.00 13.20 H new ATOM 681 N VAL A 47 -36.529 4.936 8.790 1.00 30.53 N ATOM 682 CA VAL A 47 -35.293 4.892 8.018 1.00 42.32 C ATOM 683 C VAL A 47 -34.087 4.668 8.923 1.00 35.22 C ATOM 684 O VAL A 47 -34.003 5.235 10.013 1.00 74.45 O ATOM 685 CB VAL A 47 -35.086 6.190 7.216 1.00 33.24 C ATOM 686 CG1 VAL A 47 -35.080 7.396 8.143 1.00 62.32 C ATOM 687 CG2 VAL A 47 -33.796 6.119 6.412 1.00 11.24 C ATOM 0 H VAL A 47 -36.480 5.509 9.632 1.00 30.53 H new ATOM 0 HA VAL A 47 -35.383 4.056 7.324 1.00 42.32 H new ATOM 0 HB VAL A 47 -35.917 6.302 6.519 1.00 33.24 H new ATOM 0 HG11 VAL A 47 -34.933 8.304 7.558 1.00 62.32 H new ATOM 0 HG12 VAL A 47 -36.032 7.455 8.670 1.00 62.32 H new ATOM 0 HG13 VAL A 47 -34.271 7.295 8.866 1.00 62.32 H new ATOM 0 HG21 VAL A 47 -33.665 7.044 5.851 1.00 11.24 H new ATOM 0 HG22 VAL A 47 -32.953 5.983 7.089 1.00 11.24 H new ATOM 0 HG23 VAL A 47 -33.845 5.279 5.719 1.00 11.24 H new ATOM 697 N ILE A 48 -33.155 3.840 8.464 1.00 4.11 N ATOM 698 CA ILE A 48 -31.953 3.543 9.232 1.00 23.31 C ATOM 699 C ILE A 48 -31.048 4.766 9.332 1.00 42.35 C ATOM 700 O ILE A 48 -30.867 5.497 8.358 1.00 21.41 O ATOM 701 CB ILE A 48 -31.158 2.380 8.608 1.00 74.51 C ATOM 702 CG1 ILE A 48 -32.017 1.115 8.559 1.00 2.21 C ATOM 703 CG2 ILE A 48 -29.880 2.129 9.394 1.00 61.43 C ATOM 704 CD1 ILE A 48 -32.384 0.580 9.926 1.00 11.41 C ATOM 0 H ILE A 48 -33.209 3.363 7.564 1.00 4.11 H new ATOM 0 HA ILE A 48 -32.281 3.254 10.230 1.00 23.31 H new ATOM 0 HB ILE A 48 -30.886 2.652 7.588 1.00 74.51 H new ATOM 0 HG12 ILE A 48 -32.931 1.327 8.004 1.00 2.21 H new ATOM 0 HG13 ILE A 48 -31.481 0.343 8.007 1.00 2.21 H new ATOM 0 HG21 ILE A 48 -29.330 1.305 8.940 1.00 61.43 H new ATOM 0 HG22 ILE A 48 -29.263 3.027 9.382 1.00 61.43 H new ATOM 0 HG23 ILE A 48 -30.130 1.875 10.424 1.00 61.43 H new ATOM 0 HD11 ILE A 48 -32.993 -0.317 9.814 1.00 11.41 H new ATOM 0 HD12 ILE A 48 -31.476 0.336 10.477 1.00 11.41 H new ATOM 0 HD13 ILE A 48 -32.948 1.336 10.473 1.00 11.41 H new ATOM 716 N ARG A 49 -30.481 4.981 10.514 1.00 61.21 N ATOM 717 CA ARG A 49 -29.594 6.116 10.741 1.00 55.21 C ATOM 718 C ARG A 49 -28.202 5.838 10.182 1.00 4.43 C ATOM 719 O ARG A 49 -27.850 4.690 9.908 1.00 74.42 O ATOM 720 CB ARG A 49 -29.502 6.428 12.236 1.00 75.12 C ATOM 721 CG ARG A 49 -28.876 7.779 12.539 1.00 63.14 C ATOM 722 CD ARG A 49 -29.167 8.221 13.965 1.00 21.00 C ATOM 723 NE ARG A 49 -30.378 9.033 14.049 1.00 40.53 N ATOM 724 CZ ARG A 49 -30.869 9.504 15.190 1.00 35.01 C ATOM 725 NH1 ARG A 49 -30.256 9.246 16.336 1.00 2.42 N1+ ATOM 726 NH2 ARG A 49 -31.977 10.236 15.185 1.00 44.41 N ATOM 0 H ARG A 49 -30.620 4.384 11.330 1.00 61.21 H new ATOM 0 HA ARG A 49 -30.010 6.979 10.222 1.00 55.21 H new ATOM 0 HB2 ARG A 49 -30.502 6.396 12.667 1.00 75.12 H new ATOM 0 HB3 ARG A 49 -28.918 5.649 12.726 1.00 75.12 H new ATOM 0 HG2 ARG A 49 -27.798 7.724 12.387 1.00 63.14 H new ATOM 0 HG3 ARG A 49 -29.259 8.523 11.841 1.00 63.14 H new ATOM 0 HD2 ARG A 49 -29.274 7.343 14.602 1.00 21.00 H new ATOM 0 HD3 ARG A 49 -28.321 8.791 14.348 1.00 21.00 H new ATOM 0 HE ARG A 49 -30.874 9.250 13.185 1.00 40.53 H new ATOM 0 HH11 ARG A 49 -29.405 8.684 16.344 1.00 2.42 H new ATOM 0 HH12 ARG A 49 -30.635 9.609 17.210 1.00 2.42 H new ATOM 0 HH21 ARG A 49 -32.452 10.437 14.305 1.00 44.41 H new ATOM 0 HH22 ARG A 49 -32.353 10.597 16.061 1.00 44.41 H new ATOM 740 N ILE A 50 -27.415 6.895 10.016 1.00 42.34 N ATOM 741 CA ILE A 50 -26.062 6.765 9.490 1.00 64.41 C ATOM 742 C ILE A 50 -25.141 6.094 10.504 1.00 25.51 C ATOM 743 O ILE A 50 -25.364 6.177 11.711 1.00 50.31 O ATOM 744 CB ILE A 50 -25.472 8.135 9.105 1.00 4.21 C ATOM 745 CG1 ILE A 50 -26.494 8.948 8.307 1.00 31.11 C ATOM 746 CG2 ILE A 50 -24.190 7.954 8.307 1.00 54.25 C ATOM 747 CD1 ILE A 50 -26.982 8.246 7.059 1.00 54.33 C ATOM 0 H ILE A 50 -27.691 7.851 10.238 1.00 42.34 H new ATOM 0 HA ILE A 50 -26.129 6.145 8.596 1.00 64.41 H new ATOM 0 HB ILE A 50 -25.234 8.682 10.017 1.00 4.21 H new ATOM 0 HG12 ILE A 50 -27.348 9.171 8.946 1.00 31.11 H new ATOM 0 HG13 ILE A 50 -26.048 9.902 8.027 1.00 31.11 H new ATOM 0 HG21 ILE A 50 -23.785 8.931 8.042 1.00 54.25 H new ATOM 0 HG22 ILE A 50 -23.461 7.410 8.908 1.00 54.25 H new ATOM 0 HG23 ILE A 50 -24.404 7.391 7.398 1.00 54.25 H new ATOM 0 HD11 ILE A 50 -27.703 8.880 6.543 1.00 54.33 H new ATOM 0 HD12 ILE A 50 -26.137 8.047 6.400 1.00 54.33 H new ATOM 0 HD13 ILE A 50 -27.457 7.304 7.334 1.00 54.33 H new ATOM 759 N GLY A 51 -24.102 5.431 10.004 1.00 2.14 N ATOM 760 CA GLY A 51 -23.161 4.757 10.879 1.00 43.44 C ATOM 761 C GLY A 51 -23.609 3.355 11.242 1.00 53.24 C ATOM 762 O GLY A 51 -23.044 2.728 12.138 1.00 63.33 O ATOM 0 H GLY A 51 -23.896 5.349 9.008 1.00 2.14 H new ATOM 0 HA2 GLY A 51 -22.187 4.709 10.392 1.00 43.44 H new ATOM 0 HA3 GLY A 51 -23.034 5.342 11.790 1.00 43.44 H new ATOM 766 N ALA A 52 -24.628 2.862 10.546 1.00 53.13 N ATOM 767 CA ALA A 52 -25.151 1.525 10.800 1.00 25.41 C ATOM 768 C ALA A 52 -24.707 0.547 9.716 1.00 3.24 C ATOM 769 O ALA A 52 -24.715 0.876 8.531 1.00 33.21 O ATOM 770 CB ALA A 52 -26.669 1.561 10.891 1.00 4.44 C ATOM 0 H ALA A 52 -25.108 3.368 9.802 1.00 53.13 H new ATOM 0 HA ALA A 52 -24.749 1.179 11.752 1.00 25.41 H new ATOM 0 HB1 ALA A 52 -27.046 0.556 11.081 1.00 4.44 H new ATOM 0 HB2 ALA A 52 -26.969 2.221 11.705 1.00 4.44 H new ATOM 0 HB3 ALA A 52 -27.081 1.932 9.952 1.00 4.44 H new ATOM 776 N GLU A 53 -24.321 -0.655 10.133 1.00 24.44 N ATOM 777 CA GLU A 53 -23.873 -1.679 9.197 1.00 12.23 C ATOM 778 C GLU A 53 -25.022 -2.142 8.305 1.00 61.23 C ATOM 779 O GLU A 53 -26.124 -1.597 8.362 1.00 62.55 O ATOM 780 CB GLU A 53 -23.287 -2.872 9.954 1.00 5.05 C ATOM 781 CG GLU A 53 -22.062 -2.526 10.782 1.00 63.31 C ATOM 782 CD GLU A 53 -21.389 -3.751 11.370 1.00 65.35 C ATOM 783 OE1 GLU A 53 -20.860 -4.570 10.589 1.00 22.21 O ATOM 784 OE2 GLU A 53 -21.392 -3.891 12.611 1.00 42.20 O1- ATOM 0 H GLU A 53 -24.310 -0.943 11.111 1.00 24.44 H new ATOM 0 HA GLU A 53 -23.099 -1.243 8.565 1.00 12.23 H new ATOM 0 HB2 GLU A 53 -24.053 -3.287 10.610 1.00 5.05 H new ATOM 0 HB3 GLU A 53 -23.023 -3.651 9.239 1.00 5.05 H new ATOM 0 HG2 GLU A 53 -21.348 -1.988 10.159 1.00 63.31 H new ATOM 0 HG3 GLU A 53 -22.352 -1.853 11.589 1.00 63.31 H new ATOM 791 N VAL A 54 -24.755 -3.151 7.483 1.00 22.21 N ATOM 792 CA VAL A 54 -25.766 -3.689 6.579 1.00 62.55 C ATOM 793 C VAL A 54 -25.733 -5.213 6.563 1.00 25.30 C ATOM 794 O VAL A 54 -24.665 -5.823 6.622 1.00 72.42 O ATOM 795 CB VAL A 54 -25.570 -3.166 5.144 1.00 34.21 C ATOM 796 CG1 VAL A 54 -24.134 -3.375 4.690 1.00 11.11 C ATOM 797 CG2 VAL A 54 -26.543 -3.847 4.193 1.00 22.21 C ATOM 0 H VAL A 54 -23.848 -3.613 7.424 1.00 22.21 H new ATOM 0 HA VAL A 54 -26.734 -3.354 6.950 1.00 62.55 H new ATOM 0 HB VAL A 54 -25.776 -2.096 5.134 1.00 34.21 H new ATOM 0 HG11 VAL A 54 -24.015 -2.999 3.674 1.00 11.11 H new ATOM 0 HG12 VAL A 54 -23.460 -2.837 5.357 1.00 11.11 H new ATOM 0 HG13 VAL A 54 -23.896 -4.438 4.714 1.00 11.11 H new ATOM 0 HG21 VAL A 54 -26.391 -3.466 3.183 1.00 22.21 H new ATOM 0 HG22 VAL A 54 -26.370 -4.923 4.205 1.00 22.21 H new ATOM 0 HG23 VAL A 54 -27.565 -3.640 4.509 1.00 22.21 H new ATOM 807 N LYS A 55 -26.910 -5.823 6.481 1.00 32.13 N ATOM 808 CA LYS A 55 -27.019 -7.277 6.455 1.00 11.44 C ATOM 809 C LYS A 55 -28.132 -7.723 5.512 1.00 24.20 C ATOM 810 O LYS A 55 -28.963 -6.917 5.093 1.00 53.12 O ATOM 811 CB LYS A 55 -27.282 -7.815 7.863 1.00 13.34 C ATOM 812 CG LYS A 55 -28.325 -7.023 8.632 1.00 34.42 C ATOM 813 CD LYS A 55 -27.688 -5.926 9.468 1.00 72.33 C ATOM 814 CE LYS A 55 -27.338 -6.421 10.863 1.00 54.12 C ATOM 815 NZ LYS A 55 -27.343 -5.317 11.862 1.00 75.44 N1+ ATOM 0 H LYS A 55 -27.803 -5.333 6.431 1.00 32.13 H new ATOM 0 HA LYS A 55 -26.075 -7.680 6.090 1.00 11.44 H new ATOM 0 HB2 LYS A 55 -27.606 -8.853 7.791 1.00 13.34 H new ATOM 0 HB3 LYS A 55 -26.348 -7.811 8.425 1.00 13.34 H new ATOM 0 HG2 LYS A 55 -29.037 -6.583 7.934 1.00 34.42 H new ATOM 0 HG3 LYS A 55 -28.888 -7.695 9.280 1.00 34.42 H new ATOM 0 HD2 LYS A 55 -26.787 -5.566 8.972 1.00 72.33 H new ATOM 0 HD3 LYS A 55 -28.371 -5.080 9.542 1.00 72.33 H new ATOM 0 HE2 LYS A 55 -28.051 -7.188 11.166 1.00 54.12 H new ATOM 0 HE3 LYS A 55 -26.354 -6.890 10.845 1.00 54.12 H new ATOM 0 HZ1 LYS A 55 -27.100 -5.696 12.799 1.00 75.44 H new ATOM 0 HZ2 LYS A 55 -26.644 -4.597 11.587 1.00 75.44 H new ATOM 0 HZ3 LYS A 55 -28.289 -4.886 11.898 1.00 75.44 H new ATOM 829 N ASP A 56 -28.143 -9.010 5.184 1.00 1.11 N ATOM 830 CA ASP A 56 -29.157 -9.563 4.293 1.00 50.12 C ATOM 831 C ASP A 56 -30.553 -9.384 4.881 1.00 51.21 C ATOM 832 O ASP A 56 -30.748 -9.496 6.090 1.00 22.43 O ATOM 833 CB ASP A 56 -28.885 -11.046 4.035 1.00 24.03 C ATOM 834 CG ASP A 56 -29.344 -11.488 2.659 1.00 74.11 C ATOM 835 OD1 ASP A 56 -29.337 -10.649 1.735 1.00 70.55 O ATOM 836 OD2 ASP A 56 -29.711 -12.672 2.508 1.00 42.54 O1- ATOM 0 H ASP A 56 -27.462 -9.690 5.521 1.00 1.11 H new ATOM 0 HA ASP A 56 -29.109 -9.023 3.348 1.00 50.12 H new ATOM 0 HB2 ASP A 56 -27.817 -11.240 4.138 1.00 24.03 H new ATOM 0 HB3 ASP A 56 -29.392 -11.643 4.793 1.00 24.03 H new ATOM 841 N GLY A 57 -31.522 -9.104 4.015 1.00 23.23 N ATOM 842 CA GLY A 57 -32.888 -8.912 4.467 1.00 2.42 C ATOM 843 C GLY A 57 -33.112 -7.539 5.070 1.00 30.44 C ATOM 844 O GLY A 57 -34.201 -7.240 5.560 1.00 50.43 O ATOM 0 H GLY A 57 -31.386 -9.007 3.009 1.00 23.23 H new ATOM 0 HA2 GLY A 57 -33.568 -9.052 3.627 1.00 2.42 H new ATOM 0 HA3 GLY A 57 -33.133 -9.674 5.206 1.00 2.42 H new ATOM 848 N ASP A 58 -32.080 -6.704 5.036 1.00 1.23 N ATOM 849 CA ASP A 58 -32.168 -5.356 5.584 1.00 24.33 C ATOM 850 C ASP A 58 -32.352 -4.328 4.471 1.00 44.22 C ATOM 851 O ASP A 58 -31.381 -3.878 3.862 1.00 4.32 O ATOM 852 CB ASP A 58 -30.914 -5.029 6.396 1.00 74.23 C ATOM 853 CG ASP A 58 -31.233 -4.293 7.682 1.00 42.34 C ATOM 854 OD1 ASP A 58 -32.213 -3.519 7.696 1.00 52.45 O ATOM 855 OD2 ASP A 58 -30.502 -4.490 8.676 1.00 60.24 O1- ATOM 0 H ASP A 58 -31.172 -6.937 4.634 1.00 1.23 H new ATOM 0 HA ASP A 58 -33.037 -5.313 6.241 1.00 24.33 H new ATOM 0 HB2 ASP A 58 -30.386 -5.953 6.631 1.00 74.23 H new ATOM 0 HB3 ASP A 58 -30.241 -4.422 5.791 1.00 74.23 H new ATOM 860 N LEU A 59 -33.602 -3.962 4.212 1.00 1.10 N ATOM 861 CA LEU A 59 -33.913 -2.988 3.171 1.00 32.31 C ATOM 862 C LEU A 59 -33.375 -1.609 3.538 1.00 22.24 C ATOM 863 O LEU A 59 -33.009 -0.821 2.665 1.00 63.34 O ATOM 864 CB LEU A 59 -35.425 -2.916 2.949 1.00 63.13 C ATOM 865 CG LEU A 59 -36.173 -4.249 2.980 1.00 21.11 C ATOM 866 CD1 LEU A 59 -36.849 -4.451 4.327 1.00 3.32 C ATOM 867 CD2 LEU A 59 -37.194 -4.314 1.854 1.00 13.30 C ATOM 0 H LEU A 59 -34.416 -4.324 4.708 1.00 1.10 H new ATOM 0 HA LEU A 59 -33.431 -3.312 2.248 1.00 32.31 H new ATOM 0 HB2 LEU A 59 -35.853 -2.264 3.711 1.00 63.13 H new ATOM 0 HB3 LEU A 59 -35.608 -2.442 1.985 1.00 63.13 H new ATOM 0 HG LEU A 59 -35.450 -5.052 2.835 1.00 21.11 H new ATOM 0 HD11 LEU A 59 -37.376 -5.405 4.330 1.00 3.32 H new ATOM 0 HD12 LEU A 59 -36.096 -4.450 5.116 1.00 3.32 H new ATOM 0 HD13 LEU A 59 -37.559 -3.643 4.502 1.00 3.32 H new ATOM 0 HD21 LEU A 59 -37.717 -5.270 1.892 1.00 13.30 H new ATOM 0 HD22 LEU A 59 -37.913 -3.502 1.967 1.00 13.30 H new ATOM 0 HD23 LEU A 59 -36.685 -4.216 0.895 1.00 13.30 H new ATOM 879 N LEU A 60 -33.329 -1.323 4.835 1.00 4.23 N ATOM 880 CA LEU A 60 -32.833 -0.040 5.319 1.00 33.23 C ATOM 881 C LEU A 60 -33.739 1.100 4.865 1.00 4.21 C ATOM 882 O LEU A 60 -33.374 2.272 4.957 1.00 64.02 O ATOM 883 CB LEU A 60 -31.406 0.199 4.820 1.00 0.12 C ATOM 884 CG LEU A 60 -30.431 -0.966 4.994 1.00 74.51 C ATOM 885 CD1 LEU A 60 -29.396 -0.966 3.880 1.00 63.21 C ATOM 886 CD2 LEU A 60 -29.753 -0.896 6.355 1.00 1.41 C ATOM 0 H LEU A 60 -33.629 -1.963 5.570 1.00 4.23 H new ATOM 0 HA LEU A 60 -32.831 -0.067 6.409 1.00 33.23 H new ATOM 0 HB2 LEU A 60 -31.451 0.454 3.761 1.00 0.12 H new ATOM 0 HB3 LEU A 60 -31.001 1.067 5.341 1.00 0.12 H new ATOM 0 HG LEU A 60 -30.994 -1.898 4.939 1.00 74.51 H new ATOM 0 HD11 LEU A 60 -28.711 -1.802 4.020 1.00 63.21 H new ATOM 0 HD12 LEU A 60 -29.898 -1.065 2.917 1.00 63.21 H new ATOM 0 HD13 LEU A 60 -28.837 -0.031 3.903 1.00 63.21 H new ATOM 0 HD21 LEU A 60 -29.063 -1.733 6.461 1.00 1.41 H new ATOM 0 HD22 LEU A 60 -29.203 0.041 6.440 1.00 1.41 H new ATOM 0 HD23 LEU A 60 -30.507 -0.946 7.140 1.00 1.41 H new ATOM 898 N VAL A 61 -34.925 0.748 4.376 1.00 0.20 N ATOM 899 CA VAL A 61 -35.885 1.742 3.912 1.00 71.21 C ATOM 900 C VAL A 61 -37.315 1.235 4.062 1.00 70.32 C ATOM 901 O VAL A 61 -37.601 0.066 3.810 1.00 31.11 O ATOM 902 CB VAL A 61 -35.637 2.116 2.438 1.00 31.34 C ATOM 903 CG1 VAL A 61 -36.712 3.071 1.942 1.00 4.22 C ATOM 904 CG2 VAL A 61 -34.253 2.723 2.269 1.00 2.31 C ATOM 0 H VAL A 61 -35.243 -0.217 4.291 1.00 0.20 H new ATOM 0 HA VAL A 61 -35.749 2.628 4.532 1.00 71.21 H new ATOM 0 HB VAL A 61 -35.686 1.208 1.837 1.00 31.34 H new ATOM 0 HG11 VAL A 61 -36.521 3.324 0.899 1.00 4.22 H new ATOM 0 HG12 VAL A 61 -37.689 2.595 2.026 1.00 4.22 H new ATOM 0 HG13 VAL A 61 -36.698 3.979 2.544 1.00 4.22 H new ATOM 0 HG21 VAL A 61 -34.094 2.981 1.222 1.00 2.31 H new ATOM 0 HG22 VAL A 61 -34.173 3.622 2.881 1.00 2.31 H new ATOM 0 HG23 VAL A 61 -33.499 2.002 2.583 1.00 2.31 H new ATOM 914 N GLY A 62 -38.212 2.126 4.475 1.00 71.04 N ATOM 915 CA GLY A 62 -39.603 1.751 4.652 1.00 31.12 C ATOM 916 C GLY A 62 -40.490 2.269 3.537 1.00 34.53 C ATOM 917 O GLY A 62 -40.870 3.440 3.530 1.00 41.31 O ATOM 0 H GLY A 62 -38.000 3.100 4.690 1.00 71.04 H new ATOM 0 HA2 GLY A 62 -39.680 0.665 4.698 1.00 31.12 H new ATOM 0 HA3 GLY A 62 -39.961 2.137 5.606 1.00 31.12 H new ATOM 921 N LYS A 63 -40.820 1.397 2.591 1.00 64.14 N ATOM 922 CA LYS A 63 -41.667 1.771 1.466 1.00 33.22 C ATOM 923 C LYS A 63 -42.726 0.706 1.203 1.00 20.52 C ATOM 924 O LYS A 63 -42.405 -0.430 0.852 1.00 13.53 O ATOM 925 CB LYS A 63 -40.818 1.982 0.210 1.00 74.02 C ATOM 926 CG LYS A 63 -41.523 2.776 -0.875 1.00 20.40 C ATOM 927 CD LYS A 63 -40.771 2.710 -2.194 1.00 71.32 C ATOM 928 CE LYS A 63 -39.373 3.295 -2.068 1.00 42.40 C ATOM 929 NZ LYS A 63 -39.392 4.650 -1.451 1.00 61.51 N1+ ATOM 0 H LYS A 63 -40.513 0.424 2.581 1.00 64.14 H new ATOM 0 HA LYS A 63 -42.171 2.704 1.718 1.00 33.22 H new ATOM 0 HB2 LYS A 63 -39.898 2.498 0.486 1.00 74.02 H new ATOM 0 HB3 LYS A 63 -40.531 1.010 -0.191 1.00 74.02 H new ATOM 0 HG2 LYS A 63 -42.533 2.390 -1.012 1.00 20.40 H new ATOM 0 HG3 LYS A 63 -41.619 3.816 -0.562 1.00 20.40 H new ATOM 0 HD2 LYS A 63 -40.704 1.673 -2.525 1.00 71.32 H new ATOM 0 HD3 LYS A 63 -41.326 3.253 -2.958 1.00 71.32 H new ATOM 0 HE2 LYS A 63 -38.754 2.630 -1.465 1.00 42.40 H new ATOM 0 HE3 LYS A 63 -38.913 3.352 -3.054 1.00 42.40 H new ATOM 0 HZ1 LYS A 63 -38.694 5.257 -1.925 1.00 61.51 H new ATOM 0 HZ2 LYS A 63 -40.340 5.066 -1.555 1.00 61.51 H new ATOM 0 HZ3 LYS A 63 -39.156 4.575 -0.441 1.00 61.51 H new ATOM 943 N VAL A 64 -43.990 1.080 1.374 1.00 71.05 N ATOM 944 CA VAL A 64 -45.097 0.157 1.154 1.00 72.21 C ATOM 945 C VAL A 64 -46.379 0.908 0.811 1.00 72.14 C ATOM 946 O VAL A 64 -46.783 1.828 1.522 1.00 61.31 O ATOM 947 CB VAL A 64 -45.348 -0.726 2.391 1.00 41.14 C ATOM 948 CG1 VAL A 64 -44.362 -1.884 2.430 1.00 41.34 C ATOM 949 CG2 VAL A 64 -45.259 0.104 3.663 1.00 71.41 C ATOM 0 H VAL A 64 -44.273 2.016 1.664 1.00 71.05 H new ATOM 0 HA VAL A 64 -44.816 -0.479 0.315 1.00 72.21 H new ATOM 0 HB VAL A 64 -46.354 -1.140 2.323 1.00 41.14 H new ATOM 0 HG11 VAL A 64 -44.555 -2.497 3.311 1.00 41.34 H new ATOM 0 HG12 VAL A 64 -44.479 -2.492 1.533 1.00 41.34 H new ATOM 0 HG13 VAL A 64 -43.345 -1.495 2.475 1.00 41.34 H new ATOM 0 HG21 VAL A 64 -45.439 -0.535 4.528 1.00 71.41 H new ATOM 0 HG22 VAL A 64 -44.266 0.547 3.740 1.00 71.41 H new ATOM 0 HG23 VAL A 64 -46.008 0.895 3.634 1.00 71.41 H new ATOM 959 N THR A 65 -47.017 0.509 -0.286 1.00 75.31 N ATOM 960 CA THR A 65 -48.253 1.144 -0.724 1.00 21.11 C ATOM 961 C THR A 65 -49.467 0.301 -0.351 1.00 50.33 C ATOM 962 O THR A 65 -49.367 -0.902 -0.110 1.00 22.30 O ATOM 963 CB THR A 65 -48.254 1.379 -2.247 1.00 51.22 C ATOM 964 OG1 THR A 65 -47.313 0.504 -2.878 1.00 52.43 O ATOM 965 CG2 THR A 65 -47.907 2.824 -2.571 1.00 65.41 C ATOM 0 H THR A 65 -46.697 -0.251 -0.887 1.00 75.31 H new ATOM 0 HA THR A 65 -48.312 2.106 -0.215 1.00 21.11 H new ATOM 0 HB THR A 65 -49.255 1.169 -2.625 1.00 51.22 H new ATOM 0 HG1 THR A 65 -47.321 0.658 -3.846 1.00 52.43 H new ATOM 0 HG21 THR A 65 -47.914 2.966 -3.652 1.00 65.41 H new ATOM 0 HG22 THR A 65 -48.642 3.486 -2.113 1.00 65.41 H new ATOM 0 HG23 THR A 65 -46.916 3.057 -2.181 1.00 65.41 H new ATOM 973 N PRO A 66 -50.643 0.944 -0.303 1.00 71.34 N ATOM 974 CA PRO A 66 -51.900 0.271 0.039 1.00 72.00 C ATOM 975 C PRO A 66 -52.358 -0.690 -1.053 1.00 31.14 C ATOM 976 O PRO A 66 -52.126 -0.455 -2.239 1.00 4.01 O ATOM 977 CB PRO A 66 -52.892 1.427 0.185 1.00 54.11 C ATOM 978 CG PRO A 66 -52.331 2.518 -0.661 1.00 72.32 C ATOM 979 CD PRO A 66 -50.836 2.377 -0.580 1.00 51.54 C ATOM 0 HA PRO A 66 -51.804 -0.342 0.935 1.00 72.00 H new ATOM 0 HB2 PRO A 66 -53.888 1.138 -0.151 1.00 54.11 H new ATOM 0 HB3 PRO A 66 -52.984 1.740 1.225 1.00 54.11 H new ATOM 0 HG2 PRO A 66 -52.676 2.430 -1.691 1.00 72.32 H new ATOM 0 HG3 PRO A 66 -52.651 3.496 -0.300 1.00 72.32 H new ATOM 0 HD2 PRO A 66 -50.353 2.675 -1.511 1.00 51.54 H new ATOM 0 HD3 PRO A 66 -50.416 2.999 0.210 1.00 51.54 H new ATOM 987 N LYS A 67 -53.011 -1.773 -0.645 1.00 13.34 N ATOM 988 CA LYS A 67 -53.505 -2.770 -1.588 1.00 22.03 C ATOM 989 C LYS A 67 -55.017 -2.659 -1.754 1.00 61.40 C ATOM 990 O LYS A 67 -55.678 -1.913 -1.033 1.00 45.12 O ATOM 991 CB LYS A 67 -53.134 -4.177 -1.114 1.00 13.12 C ATOM 992 CG LYS A 67 -51.660 -4.504 -1.275 1.00 24.12 C ATOM 993 CD LYS A 67 -51.291 -5.788 -0.550 1.00 43.33 C ATOM 994 CE LYS A 67 -51.997 -6.992 -1.156 1.00 51.24 C ATOM 995 NZ LYS A 67 -51.654 -8.252 -0.440 1.00 22.33 N1+ ATOM 0 H LYS A 67 -53.211 -1.983 0.333 1.00 13.34 H new ATOM 0 HA LYS A 67 -53.037 -2.584 -2.555 1.00 22.03 H new ATOM 0 HB2 LYS A 67 -53.408 -4.282 -0.064 1.00 13.12 H new ATOM 0 HB3 LYS A 67 -53.722 -4.906 -1.671 1.00 13.12 H new ATOM 0 HG2 LYS A 67 -51.422 -4.602 -2.334 1.00 24.12 H new ATOM 0 HG3 LYS A 67 -51.059 -3.681 -0.888 1.00 24.12 H new ATOM 0 HD2 LYS A 67 -50.212 -5.936 -0.596 1.00 43.33 H new ATOM 0 HD3 LYS A 67 -51.556 -5.701 0.504 1.00 43.33 H new ATOM 0 HE2 LYS A 67 -53.075 -6.836 -1.122 1.00 51.24 H new ATOM 0 HE3 LYS A 67 -51.721 -7.084 -2.207 1.00 51.24 H new ATOM 0 HZ1 LYS A 67 -52.154 -9.050 -0.882 1.00 22.33 H new ATOM 0 HZ2 LYS A 67 -50.628 -8.414 -0.494 1.00 22.33 H new ATOM 0 HZ3 LYS A 67 -51.940 -8.174 0.557 1.00 22.33 H new ATOM 1009 N GLY A 68 -55.560 -3.409 -2.709 1.00 41.33 N ATOM 1010 CA GLY A 68 -56.990 -3.382 -2.950 1.00 62.55 C ATOM 1011 C GLY A 68 -57.758 -4.266 -1.988 1.00 22.32 C ATOM 1012 O GLY A 68 -57.199 -4.766 -1.012 1.00 24.52 O ATOM 0 H GLY A 68 -55.034 -4.035 -3.320 1.00 41.33 H new ATOM 0 HA2 GLY A 68 -57.350 -2.357 -2.863 1.00 62.55 H new ATOM 0 HA3 GLY A 68 -57.189 -3.704 -3.972 1.00 62.55 H new ATOM 1355 N VAL A 90 -50.651 -4.416 2.684 1.00 14.00 N ATOM 1356 CA VAL A 90 -49.934 -3.579 1.728 1.00 43.15 C ATOM 1357 C VAL A 90 -48.915 -4.395 0.940 1.00 34.22 C ATOM 1358 O VAL A 90 -48.741 -5.590 1.181 1.00 14.45 O ATOM 1359 CB VAL A 90 -49.210 -2.417 2.433 1.00 61.31 C ATOM 1360 CG1 VAL A 90 -50.202 -1.339 2.842 1.00 61.42 C ATOM 1361 CG2 VAL A 90 -48.435 -2.925 3.639 1.00 63.51 C ATOM 0 HA VAL A 90 -50.677 -3.172 1.043 1.00 43.15 H new ATOM 0 HB VAL A 90 -48.500 -1.977 1.733 1.00 61.31 H new ATOM 0 HG11 VAL A 90 -49.672 -0.526 3.339 1.00 61.42 H new ATOM 0 HG12 VAL A 90 -50.707 -0.955 1.956 1.00 61.42 H new ATOM 0 HG13 VAL A 90 -50.939 -1.762 3.525 1.00 61.42 H new ATOM 0 HG21 VAL A 90 -47.930 -2.090 4.125 1.00 63.51 H new ATOM 0 HG22 VAL A 90 -49.123 -3.392 4.343 1.00 63.51 H new ATOM 0 HG23 VAL A 90 -47.696 -3.657 3.314 1.00 63.51 H new ATOM 1371 N ARG A 91 -48.244 -3.741 -0.002 1.00 25.45 N ATOM 1372 CA ARG A 91 -47.242 -4.406 -0.827 1.00 3.45 C ATOM 1373 C ARG A 91 -45.839 -3.920 -0.476 1.00 15.52 C ATOM 1374 O ARG A 91 -45.640 -2.749 -0.154 1.00 10.53 O ATOM 1375 CB ARG A 91 -47.524 -4.157 -2.310 1.00 35.24 C ATOM 1376 CG ARG A 91 -48.403 -5.219 -2.950 1.00 1.41 C ATOM 1377 CD ARG A 91 -48.806 -4.830 -4.364 1.00 62.05 C ATOM 1378 NE ARG A 91 -47.857 -5.324 -5.359 1.00 32.31 N ATOM 1379 CZ ARG A 91 -48.117 -5.376 -6.660 1.00 62.40 C ATOM 1380 NH1 ARG A 91 -49.290 -4.965 -7.122 1.00 60.23 N1+ ATOM 1381 NH2 ARG A 91 -47.203 -5.838 -7.503 1.00 63.42 N ATOM 0 H ARG A 91 -48.376 -2.752 -0.213 1.00 25.45 H new ATOM 0 HA ARG A 91 -47.297 -5.476 -0.629 1.00 3.45 H new ATOM 0 HB2 ARG A 91 -48.004 -3.185 -2.422 1.00 35.24 H new ATOM 0 HB3 ARG A 91 -46.577 -4.109 -2.848 1.00 35.24 H new ATOM 0 HG2 ARG A 91 -47.870 -6.170 -2.971 1.00 1.41 H new ATOM 0 HG3 ARG A 91 -49.296 -5.367 -2.344 1.00 1.41 H new ATOM 0 HD2 ARG A 91 -49.798 -5.227 -4.580 1.00 62.05 H new ATOM 0 HD3 ARG A 91 -48.874 -3.745 -4.436 1.00 62.05 H new ATOM 0 HE ARG A 91 -46.945 -5.647 -5.036 1.00 32.31 H new ATOM 0 HH11 ARG A 91 -49.995 -4.608 -6.477 1.00 60.23 H new ATOM 0 HH12 ARG A 91 -49.487 -5.006 -8.122 1.00 60.23 H new ATOM 0 HH21 ARG A 91 -46.299 -6.154 -7.152 1.00 63.42 H new ATOM 0 HH22 ARG A 91 -47.404 -5.877 -8.502 1.00 63.42 H new ATOM 1395 N ASP A 92 -44.871 -4.827 -0.540 1.00 43.34 N ATOM 1396 CA ASP A 92 -43.486 -4.491 -0.230 1.00 22.20 C ATOM 1397 C ASP A 92 -42.781 -3.911 -1.452 1.00 4.24 C ATOM 1398 O ASP A 92 -42.297 -4.647 -2.312 1.00 43.15 O ATOM 1399 CB ASP A 92 -42.737 -5.729 0.266 1.00 42.30 C ATOM 1400 CG ASP A 92 -42.848 -6.896 -0.694 1.00 10.14 C ATOM 1401 OD1 ASP A 92 -43.960 -7.450 -0.831 1.00 24.00 O ATOM 1402 OD2 ASP A 92 -41.823 -7.256 -1.310 1.00 53.42 O1- ATOM 0 H ASP A 92 -45.020 -5.801 -0.804 1.00 43.34 H new ATOM 0 HA ASP A 92 -43.489 -3.738 0.558 1.00 22.20 H new ATOM 0 HB2 ASP A 92 -41.686 -5.480 0.411 1.00 42.30 H new ATOM 0 HB3 ASP A 92 -43.132 -6.023 1.238 1.00 42.30 H new ATOM 1407 N THR A 93 -42.727 -2.584 -1.523 1.00 3.24 N ATOM 1408 CA THR A 93 -42.083 -1.904 -2.640 1.00 15.11 C ATOM 1409 C THR A 93 -40.732 -1.329 -2.229 1.00 15.23 C ATOM 1410 O THR A 93 -40.152 -0.512 -2.944 1.00 31.43 O ATOM 1411 CB THR A 93 -42.966 -0.769 -3.191 1.00 51.14 C ATOM 1412 OG1 THR A 93 -43.021 0.309 -2.250 1.00 20.55 O ATOM 1413 CG2 THR A 93 -44.373 -1.269 -3.480 1.00 32.22 C ATOM 0 H THR A 93 -43.122 -1.959 -0.820 1.00 3.24 H new ATOM 0 HA THR A 93 -41.934 -2.650 -3.421 1.00 15.11 H new ATOM 0 HB THR A 93 -42.525 -0.415 -4.123 1.00 51.14 H new ATOM 0 HG1 THR A 93 -42.932 -0.046 -1.341 1.00 20.55 H new ATOM 0 HG21 THR A 93 -44.978 -0.449 -3.868 1.00 32.22 H new ATOM 0 HG22 THR A 93 -44.330 -2.070 -4.218 1.00 32.22 H new ATOM 0 HG23 THR A 93 -44.821 -1.647 -2.561 1.00 32.22 H new ATOM 1421 N SER A 94 -40.237 -1.762 -1.075 1.00 41.23 N ATOM 1422 CA SER A 94 -38.955 -1.287 -0.567 1.00 71.52 C ATOM 1423 C SER A 94 -37.803 -1.826 -1.410 1.00 43.33 C ATOM 1424 O SER A 94 -37.992 -2.709 -2.249 1.00 3.02 O ATOM 1425 CB SER A 94 -38.773 -1.707 0.893 1.00 20.52 C ATOM 1426 OG SER A 94 -39.551 -0.897 1.757 1.00 2.23 O ATOM 0 H SER A 94 -40.704 -2.441 -0.474 1.00 41.23 H new ATOM 0 HA SER A 94 -38.949 -0.199 -0.628 1.00 71.52 H new ATOM 0 HB2 SER A 94 -39.060 -2.752 1.013 1.00 20.52 H new ATOM 0 HB3 SER A 94 -37.721 -1.632 1.168 1.00 20.52 H new ATOM 0 HG SER A 94 -38.982 -0.538 2.469 1.00 2.23 H new ATOM 1432 N LEU A 95 -36.610 -1.290 -1.183 1.00 11.13 N ATOM 1433 CA LEU A 95 -35.426 -1.716 -1.920 1.00 34.44 C ATOM 1434 C LEU A 95 -34.870 -3.019 -1.353 1.00 62.22 C ATOM 1435 O LEU A 95 -34.998 -3.292 -0.160 1.00 61.44 O ATOM 1436 CB LEU A 95 -34.352 -0.627 -1.874 1.00 53.31 C ATOM 1437 CG LEU A 95 -33.794 -0.294 -0.490 1.00 14.14 C ATOM 1438 CD1 LEU A 95 -32.583 -1.161 -0.180 1.00 71.33 C ATOM 1439 CD2 LEU A 95 -33.432 1.181 -0.402 1.00 61.44 C ATOM 0 H LEU A 95 -36.436 -0.559 -0.494 1.00 11.13 H new ATOM 0 HA LEU A 95 -35.717 -1.887 -2.956 1.00 34.44 H new ATOM 0 HB2 LEU A 95 -33.524 -0.934 -2.513 1.00 53.31 H new ATOM 0 HB3 LEU A 95 -34.768 0.284 -2.305 1.00 53.31 H new ATOM 0 HG LEU A 95 -34.565 -0.504 0.252 1.00 14.14 H new ATOM 0 HD11 LEU A 95 -32.199 -0.910 0.809 1.00 71.33 H new ATOM 0 HD12 LEU A 95 -32.873 -2.212 -0.201 1.00 71.33 H new ATOM 0 HD13 LEU A 95 -31.808 -0.983 -0.926 1.00 71.33 H new ATOM 0 HD21 LEU A 95 -33.037 1.400 0.590 1.00 61.44 H new ATOM 0 HD22 LEU A 95 -32.678 1.416 -1.153 1.00 61.44 H new ATOM 0 HD23 LEU A 95 -34.322 1.785 -0.579 1.00 61.44 H new ATOM 1451 N ARG A 96 -34.252 -3.818 -2.216 1.00 22.20 N ATOM 1452 CA ARG A 96 -33.676 -5.091 -1.801 1.00 2.41 C ATOM 1453 C ARG A 96 -32.177 -4.953 -1.550 1.00 14.45 C ATOM 1454 O ARG A 96 -31.446 -4.406 -2.376 1.00 63.30 O ATOM 1455 CB ARG A 96 -33.930 -6.161 -2.865 1.00 44.25 C ATOM 1456 CG ARG A 96 -33.270 -5.861 -4.201 1.00 63.41 C ATOM 1457 CD ARG A 96 -31.924 -6.558 -4.327 1.00 52.41 C ATOM 1458 NE ARG A 96 -31.030 -5.859 -5.246 1.00 50.34 N ATOM 1459 CZ ARG A 96 -29.866 -6.351 -5.655 1.00 2.41 C ATOM 1460 NH1 ARG A 96 -29.458 -7.539 -5.229 1.00 13.23 N1+ ATOM 1461 NH2 ARG A 96 -29.107 -5.655 -6.492 1.00 2.33 N ATOM 0 H ARG A 96 -34.137 -3.606 -3.207 1.00 22.20 H new ATOM 0 HA ARG A 96 -34.156 -5.393 -0.870 1.00 2.41 H new ATOM 0 HB2 ARG A 96 -33.566 -7.120 -2.497 1.00 44.25 H new ATOM 0 HB3 ARG A 96 -35.005 -6.264 -3.015 1.00 44.25 H new ATOM 0 HG2 ARG A 96 -33.924 -6.182 -5.011 1.00 63.41 H new ATOM 0 HG3 ARG A 96 -33.135 -4.785 -4.308 1.00 63.41 H new ATOM 0 HD2 ARG A 96 -31.456 -6.623 -3.345 1.00 52.41 H new ATOM 0 HD3 ARG A 96 -32.076 -7.580 -4.676 1.00 52.41 H new ATOM 0 HE ARG A 96 -31.315 -4.943 -5.593 1.00 50.34 H new ATOM 0 HH11 ARG A 96 -30.039 -8.077 -4.586 1.00 13.23 H new ATOM 0 HH12 ARG A 96 -28.564 -7.914 -5.545 1.00 13.23 H new ATOM 0 HH21 ARG A 96 -29.417 -4.741 -6.822 1.00 2.33 H new ATOM 0 HH22 ARG A 96 -28.213 -6.034 -6.805 1.00 2.33 H new ATOM 1475 N VAL A 97 -31.725 -5.453 -0.404 1.00 32.32 N ATOM 1476 CA VAL A 97 -30.314 -5.387 -0.045 1.00 32.11 C ATOM 1477 C VAL A 97 -29.688 -6.777 -0.018 1.00 2.42 C ATOM 1478 O VAL A 97 -30.206 -7.706 0.602 1.00 4.01 O ATOM 1479 CB VAL A 97 -30.116 -4.720 1.329 1.00 24.41 C ATOM 1480 CG1 VAL A 97 -28.718 -4.998 1.862 1.00 40.42 C ATOM 1481 CG2 VAL A 97 -30.372 -3.223 1.236 1.00 52.15 C ATOM 0 H VAL A 97 -32.316 -5.908 0.291 1.00 32.32 H new ATOM 0 HA VAL A 97 -29.821 -4.785 -0.808 1.00 32.11 H new ATOM 0 HB VAL A 97 -30.836 -5.146 2.027 1.00 24.41 H new ATOM 0 HG11 VAL A 97 -28.597 -4.519 2.833 1.00 40.42 H new ATOM 0 HG12 VAL A 97 -28.576 -6.074 1.968 1.00 40.42 H new ATOM 0 HG13 VAL A 97 -27.978 -4.601 1.167 1.00 40.42 H new ATOM 0 HG21 VAL A 97 -30.228 -2.768 2.216 1.00 52.15 H new ATOM 0 HG22 VAL A 97 -29.677 -2.779 0.523 1.00 52.15 H new ATOM 0 HG23 VAL A 97 -31.395 -3.049 0.902 1.00 52.15 H new ATOM 1491 N PRO A 98 -28.545 -6.925 -0.705 1.00 12.13 N ATOM 1492 CA PRO A 98 -27.823 -8.198 -0.774 1.00 3.14 C ATOM 1493 C PRO A 98 -27.185 -8.576 0.558 1.00 31.21 C ATOM 1494 O PRO A 98 -27.005 -7.729 1.434 1.00 54.31 O ATOM 1495 CB PRO A 98 -26.744 -7.936 -1.829 1.00 5.32 C ATOM 1496 CG PRO A 98 -26.534 -6.462 -1.798 1.00 31.15 C ATOM 1497 CD PRO A 98 -27.871 -5.860 -1.466 1.00 23.22 C ATOM 0 HA PRO A 98 -28.485 -9.029 -1.018 1.00 3.14 H new ATOM 0 HB2 PRO A 98 -25.824 -8.472 -1.596 1.00 5.32 H new ATOM 0 HB3 PRO A 98 -27.066 -8.269 -2.816 1.00 5.32 H new ATOM 0 HG2 PRO A 98 -25.787 -6.190 -1.052 1.00 31.15 H new ATOM 0 HG3 PRO A 98 -26.171 -6.099 -2.760 1.00 31.15 H new ATOM 0 HD2 PRO A 98 -27.766 -4.949 -0.876 1.00 23.22 H new ATOM 0 HD3 PRO A 98 -28.427 -5.595 -2.365 1.00 23.22 H new ATOM 1505 N HIS A 99 -26.843 -9.852 0.705 1.00 2.03 N ATOM 1506 CA HIS A 99 -26.224 -10.342 1.931 1.00 40.20 C ATOM 1507 C HIS A 99 -24.847 -9.715 2.132 1.00 23.32 C ATOM 1508 O HIS A 99 -24.059 -9.611 1.194 1.00 3.54 O ATOM 1509 CB HIS A 99 -26.103 -11.866 1.893 1.00 10.22 C ATOM 1510 CG HIS A 99 -25.092 -12.362 0.906 1.00 63.35 C ATOM 1511 ND1 HIS A 99 -23.916 -12.979 1.278 1.00 22.30 N ATOM 1512 CD2 HIS A 99 -25.086 -12.330 -0.448 1.00 12.11 C ATOM 1513 CE1 HIS A 99 -23.231 -13.304 0.196 1.00 51.45 C ATOM 1514 NE2 HIS A 99 -23.919 -12.922 -0.864 1.00 54.33 N ATOM 0 H HIS A 99 -26.984 -10.565 -0.010 1.00 2.03 H new ATOM 0 HA HIS A 99 -26.860 -10.057 2.769 1.00 40.20 H new ATOM 0 HB2 HIS A 99 -25.836 -12.226 2.887 1.00 10.22 H new ATOM 0 HB3 HIS A 99 -27.076 -12.294 1.650 1.00 10.22 H new ATOM 0 HD2 HIS A 99 -25.856 -11.916 -1.082 1.00 12.11 H new ATOM 0 HE1 HIS A 99 -22.271 -13.798 0.181 1.00 51.45 H new ATOM 0 HE2 HIS A 99 -23.631 -13.046 -1.834 1.00 54.33 H new ATOM 1522 N GLY A 100 -24.566 -9.299 3.363 1.00 52.11 N ATOM 1523 CA GLY A 100 -23.285 -8.686 3.664 1.00 34.40 C ATOM 1524 C GLY A 100 -23.264 -7.203 3.354 1.00 32.53 C ATOM 1525 O GLY A 100 -22.877 -6.391 4.193 1.00 13.43 O ATOM 0 H GLY A 100 -25.202 -9.375 4.157 1.00 52.11 H new ATOM 0 HA2 GLY A 100 -23.053 -8.837 4.718 1.00 34.40 H new ATOM 0 HA3 GLY A 100 -22.504 -9.185 3.091 1.00 34.40 H new ATOM 1529 N GLY A 101 -23.681 -6.847 2.142 1.00 3.44 N ATOM 1530 CA GLY A 101 -23.699 -5.452 1.744 1.00 63.32 C ATOM 1531 C GLY A 101 -22.374 -4.997 1.166 1.00 13.11 C ATOM 1532 O GLY A 101 -22.337 -4.183 0.244 1.00 41.12 O ATOM 0 H GLY A 101 -24.006 -7.500 1.429 1.00 3.44 H new ATOM 0 HA2 GLY A 101 -24.486 -5.298 1.006 1.00 63.32 H new ATOM 0 HA3 GLY A 101 -23.947 -4.834 2.607 1.00 63.32 H new ATOM 1536 N GLY A 102 -21.280 -5.523 1.710 1.00 35.30 N ATOM 1537 CA GLY A 102 -19.961 -5.153 1.231 1.00 42.33 C ATOM 1538 C GLY A 102 -19.373 -3.985 1.997 1.00 11.11 C ATOM 1539 O GLY A 102 -18.177 -3.960 2.283 1.00 65.03 O ATOM 0 H GLY A 102 -21.284 -6.199 2.474 1.00 35.30 H new ATOM 0 HA2 GLY A 102 -19.294 -6.011 1.314 1.00 42.33 H new ATOM 0 HA3 GLY A 102 -20.021 -4.897 0.173 1.00 42.33 H new ATOM 1543 N GLY A 103 -20.217 -3.012 2.329 1.00 42.51 N ATOM 1544 CA GLY A 103 -19.754 -1.847 3.061 1.00 70.24 C ATOM 1545 C GLY A 103 -20.672 -1.485 4.212 1.00 14.31 C ATOM 1546 O GLY A 103 -21.437 -2.321 4.691 1.00 75.45 O ATOM 0 H GLY A 103 -21.212 -3.010 2.104 1.00 42.51 H new ATOM 0 HA2 GLY A 103 -18.752 -2.037 3.445 1.00 70.24 H new ATOM 0 HA3 GLY A 103 -19.679 -1.000 2.380 1.00 70.24 H new ATOM 1550 N ILE A 104 -20.593 -0.235 4.658 1.00 10.42 N ATOM 1551 CA ILE A 104 -21.423 0.235 5.760 1.00 73.30 C ATOM 1552 C ILE A 104 -22.053 1.586 5.436 1.00 61.32 C ATOM 1553 O ILE A 104 -21.462 2.405 4.732 1.00 74.25 O ATOM 1554 CB ILE A 104 -20.611 0.359 7.063 1.00 31.42 C ATOM 1555 CG1 ILE A 104 -19.938 -0.973 7.399 1.00 73.31 C ATOM 1556 CG2 ILE A 104 -21.508 0.809 8.206 1.00 75.13 C ATOM 1557 CD1 ILE A 104 -18.949 -0.880 8.539 1.00 42.35 C ATOM 0 H ILE A 104 -19.963 0.469 4.273 1.00 10.42 H new ATOM 0 HA ILE A 104 -22.210 -0.506 5.901 1.00 73.30 H new ATOM 0 HB ILE A 104 -19.835 1.111 6.919 1.00 31.42 H new ATOM 0 HG12 ILE A 104 -20.705 -1.704 7.653 1.00 73.31 H new ATOM 0 HG13 ILE A 104 -19.424 -1.345 6.513 1.00 73.31 H new ATOM 0 HG21 ILE A 104 -20.919 0.892 9.120 1.00 75.13 H new ATOM 0 HG22 ILE A 104 -21.944 1.779 7.966 1.00 75.13 H new ATOM 0 HG23 ILE A 104 -22.304 0.079 8.352 1.00 75.13 H new ATOM 0 HD11 ILE A 104 -18.511 -1.861 8.722 1.00 42.35 H new ATOM 0 HD12 ILE A 104 -18.161 -0.173 8.280 1.00 42.35 H new ATOM 0 HD13 ILE A 104 -19.461 -0.538 9.438 1.00 42.35 H new ATOM 1569 N ILE A 105 -23.255 1.811 5.956 1.00 72.41 N ATOM 1570 CA ILE A 105 -23.964 3.064 5.725 1.00 11.13 C ATOM 1571 C ILE A 105 -23.223 4.239 6.354 1.00 43.31 C ATOM 1572 O ILE A 105 -23.304 4.463 7.562 1.00 71.54 O ATOM 1573 CB ILE A 105 -25.395 3.013 6.290 1.00 21.24 C ATOM 1574 CG1 ILE A 105 -26.115 1.753 5.802 1.00 33.43 C ATOM 1575 CG2 ILE A 105 -26.168 4.260 5.887 1.00 13.51 C ATOM 1576 CD1 ILE A 105 -26.279 1.695 4.300 1.00 11.11 C ATOM 0 H ILE A 105 -23.758 1.143 6.540 1.00 72.41 H new ATOM 0 HA ILE A 105 -24.013 3.204 4.645 1.00 11.13 H new ATOM 0 HB ILE A 105 -25.339 2.979 7.378 1.00 21.24 H new ATOM 0 HG12 ILE A 105 -25.559 0.876 6.133 1.00 33.43 H new ATOM 0 HG13 ILE A 105 -27.099 1.702 6.269 1.00 33.43 H new ATOM 0 HG21 ILE A 105 -27.178 4.209 6.294 1.00 13.51 H new ATOM 0 HG22 ILE A 105 -25.663 5.143 6.278 1.00 13.51 H new ATOM 0 HG23 ILE A 105 -26.218 4.322 4.800 1.00 13.51 H new ATOM 0 HD11 ILE A 105 -26.797 0.776 4.026 1.00 11.11 H new ATOM 0 HD12 ILE A 105 -26.861 2.553 3.964 1.00 11.11 H new ATOM 0 HD13 ILE A 105 -25.298 1.714 3.826 1.00 11.11 H new ATOM 1588 N HIS A 106 -22.501 4.988 5.526 1.00 44.11 N ATOM 1589 CA HIS A 106 -21.747 6.143 6.001 1.00 34.34 C ATOM 1590 C HIS A 106 -22.436 7.444 5.599 1.00 52.02 C ATOM 1591 O HIS A 106 -22.242 8.482 6.232 1.00 2.51 O ATOM 1592 CB HIS A 106 -20.324 6.113 5.444 1.00 22.33 C ATOM 1593 CG HIS A 106 -19.438 7.181 6.006 1.00 1.11 C ATOM 1594 ND1 HIS A 106 -19.585 7.687 7.281 1.00 2.12 N ATOM 1595 CD2 HIS A 106 -18.388 7.840 5.461 1.00 44.21 C ATOM 1596 CE1 HIS A 106 -18.665 8.611 7.494 1.00 70.15 C ATOM 1597 NE2 HIS A 106 -17.926 8.723 6.405 1.00 4.01 N ATOM 0 H HIS A 106 -22.422 4.816 4.524 1.00 44.11 H new ATOM 0 HA HIS A 106 -21.704 6.096 7.089 1.00 34.34 H new ATOM 0 HB2 HIS A 106 -19.882 5.139 5.652 1.00 22.33 H new ATOM 0 HB3 HIS A 106 -20.365 6.219 4.360 1.00 22.33 H new ATOM 0 HD2 HIS A 106 -17.988 7.697 4.468 1.00 44.21 H new ATOM 0 HE1 HIS A 106 -18.539 9.178 8.404 1.00 70.15 H new ATOM 0 HE2 HIS A 106 -17.140 9.362 6.285 1.00 4.01 H new ATOM 1605 N ASP A 107 -23.239 7.380 4.543 1.00 2.53 N ATOM 1606 CA ASP A 107 -23.957 8.553 4.056 1.00 2.33 C ATOM 1607 C ASP A 107 -25.297 8.156 3.446 1.00 53.53 C ATOM 1608 O ASP A 107 -25.436 7.071 2.880 1.00 42.21 O ATOM 1609 CB ASP A 107 -23.114 9.301 3.023 1.00 13.01 C ATOM 1610 CG ASP A 107 -21.636 9.285 3.361 1.00 51.05 C ATOM 1611 OD1 ASP A 107 -20.974 8.266 3.076 1.00 40.31 O ATOM 1612 OD2 ASP A 107 -21.141 10.292 3.911 1.00 71.12 O1- ATOM 0 H ASP A 107 -23.409 6.529 4.008 1.00 2.53 H new ATOM 0 HA ASP A 107 -24.145 9.211 4.905 1.00 2.33 H new ATOM 0 HB2 ASP A 107 -23.264 8.851 2.041 1.00 13.01 H new ATOM 0 HB3 ASP A 107 -23.457 10.333 2.957 1.00 13.01 H new ATOM 1617 N VAL A 108 -26.282 9.040 3.566 1.00 40.23 N ATOM 1618 CA VAL A 108 -27.612 8.782 3.026 1.00 11.03 C ATOM 1619 C VAL A 108 -28.305 10.080 2.629 1.00 62.13 C ATOM 1620 O VAL A 108 -28.463 10.988 3.446 1.00 23.34 O ATOM 1621 CB VAL A 108 -28.494 8.031 4.041 1.00 20.20 C ATOM 1622 CG1 VAL A 108 -29.898 7.840 3.490 1.00 12.41 C ATOM 1623 CG2 VAL A 108 -27.867 6.693 4.403 1.00 33.40 C ATOM 0 H VAL A 108 -26.184 9.942 4.033 1.00 40.23 H new ATOM 0 HA VAL A 108 -27.479 8.159 2.141 1.00 11.03 H new ATOM 0 HB VAL A 108 -28.565 8.630 4.949 1.00 20.20 H new ATOM 0 HG11 VAL A 108 -30.506 7.308 4.221 1.00 12.41 H new ATOM 0 HG12 VAL A 108 -30.344 8.813 3.286 1.00 12.41 H new ATOM 0 HG13 VAL A 108 -29.851 7.262 2.567 1.00 12.41 H new ATOM 0 HG21 VAL A 108 -28.503 6.176 5.121 1.00 33.40 H new ATOM 0 HG22 VAL A 108 -27.764 6.084 3.505 1.00 33.40 H new ATOM 0 HG23 VAL A 108 -26.884 6.859 4.843 1.00 33.40 H new ATOM 1633 N LYS A 109 -28.719 10.162 1.369 1.00 73.05 N ATOM 1634 CA LYS A 109 -29.398 11.348 0.862 1.00 64.22 C ATOM 1635 C LYS A 109 -30.906 11.125 0.794 1.00 55.52 C ATOM 1636 O LYS A 109 -31.369 10.092 0.311 1.00 53.24 O ATOM 1637 CB LYS A 109 -28.864 11.714 -0.525 1.00 5.12 C ATOM 1638 CG LYS A 109 -27.733 12.728 -0.493 1.00 4.01 C ATOM 1639 CD LYS A 109 -28.254 14.149 -0.621 1.00 43.23 C ATOM 1640 CE LYS A 109 -27.154 15.171 -0.376 1.00 25.43 C ATOM 1641 NZ LYS A 109 -26.910 15.385 1.077 1.00 11.23 N1+ ATOM 0 H LYS A 109 -28.596 9.420 0.680 1.00 73.05 H new ATOM 0 HA LYS A 109 -29.200 12.170 1.550 1.00 64.22 H new ATOM 0 HB2 LYS A 109 -28.515 10.809 -1.021 1.00 5.12 H new ATOM 0 HB3 LYS A 109 -29.681 12.112 -1.126 1.00 5.12 H new ATOM 0 HG2 LYS A 109 -27.178 12.626 0.439 1.00 4.01 H new ATOM 0 HG3 LYS A 109 -27.035 12.521 -1.304 1.00 4.01 H new ATOM 0 HD2 LYS A 109 -28.673 14.296 -1.617 1.00 43.23 H new ATOM 0 HD3 LYS A 109 -29.063 14.306 0.092 1.00 43.23 H new ATOM 0 HE2 LYS A 109 -26.233 14.835 -0.853 1.00 25.43 H new ATOM 0 HE3 LYS A 109 -27.428 16.118 -0.842 1.00 25.43 H new ATOM 0 HZ1 LYS A 109 -26.154 16.088 1.202 1.00 11.23 H new ATOM 0 HZ2 LYS A 109 -27.781 15.730 1.528 1.00 11.23 H new ATOM 0 HZ3 LYS A 109 -26.624 14.487 1.517 1.00 11.23 H new ATOM 1655 N VAL A 110 -31.666 12.101 1.281 1.00 33.40 N ATOM 1656 CA VAL A 110 -33.122 12.011 1.274 1.00 62.24 C ATOM 1657 C VAL A 110 -33.753 13.354 0.921 1.00 62.33 C ATOM 1658 O VAL A 110 -33.559 14.347 1.622 1.00 72.31 O ATOM 1659 CB VAL A 110 -33.663 11.545 2.638 1.00 4.52 C ATOM 1660 CG1 VAL A 110 -33.145 12.442 3.753 1.00 44.34 C ATOM 1661 CG2 VAL A 110 -35.184 11.519 2.627 1.00 54.34 C ATOM 0 H VAL A 110 -31.298 12.962 1.685 1.00 33.40 H new ATOM 0 HA VAL A 110 -33.390 11.275 0.516 1.00 62.24 H new ATOM 0 HB VAL A 110 -33.306 10.532 2.824 1.00 4.52 H new ATOM 0 HG11 VAL A 110 -33.538 12.097 4.709 1.00 44.34 H new ATOM 0 HG12 VAL A 110 -32.056 12.405 3.773 1.00 44.34 H new ATOM 0 HG13 VAL A 110 -33.470 13.467 3.576 1.00 44.34 H new ATOM 0 HG21 VAL A 110 -35.549 11.187 3.599 1.00 54.34 H new ATOM 0 HG22 VAL A 110 -35.564 12.519 2.419 1.00 54.34 H new ATOM 0 HG23 VAL A 110 -35.531 10.832 1.855 1.00 54.34 H new ATOM 1671 N PHE A 111 -34.509 13.377 -0.172 1.00 31.14 N ATOM 1672 CA PHE A 111 -35.169 14.597 -0.619 1.00 61.30 C ATOM 1673 C PHE A 111 -36.668 14.538 -0.342 1.00 14.04 C ATOM 1674 O PHE A 111 -37.296 13.491 -0.488 1.00 54.20 O ATOM 1675 CB PHE A 111 -34.924 14.817 -2.113 1.00 25.34 C ATOM 1676 CG PHE A 111 -33.499 14.585 -2.527 1.00 21.54 C ATOM 1677 CD1 PHE A 111 -32.478 15.367 -2.013 1.00 61.01 C ATOM 1678 CD2 PHE A 111 -33.180 13.585 -3.432 1.00 34.24 C ATOM 1679 CE1 PHE A 111 -31.165 15.156 -2.391 1.00 62.23 C ATOM 1680 CE2 PHE A 111 -31.870 13.369 -3.814 1.00 44.30 C ATOM 1681 CZ PHE A 111 -30.861 14.156 -3.294 1.00 45.00 C ATOM 0 H PHE A 111 -34.679 12.564 -0.764 1.00 31.14 H new ATOM 0 HA PHE A 111 -34.747 15.433 -0.061 1.00 61.30 H new ATOM 0 HB2 PHE A 111 -35.572 14.150 -2.681 1.00 25.34 H new ATOM 0 HB3 PHE A 111 -35.208 15.837 -2.373 1.00 25.34 H new ATOM 0 HD1 PHE A 111 -32.710 16.151 -1.308 1.00 61.01 H new ATOM 0 HD2 PHE A 111 -33.965 12.967 -3.843 1.00 34.24 H new ATOM 0 HE1 PHE A 111 -30.378 15.772 -1.981 1.00 62.23 H new ATOM 0 HE2 PHE A 111 -31.635 12.585 -4.519 1.00 44.30 H new ATOM 0 HZ PHE A 111 -29.837 13.990 -3.593 1.00 45.00 H new ATOM 1691 N ASN A 112 -37.235 15.671 0.060 1.00 50.25 N ATOM 1692 CA ASN A 112 -38.660 15.749 0.360 1.00 72.43 C ATOM 1693 C ASN A 112 -39.312 16.905 -0.392 1.00 13.34 C ATOM 1694 O ASN A 112 -38.745 17.994 -0.490 1.00 60.11 O ATOM 1695 CB ASN A 112 -38.878 15.918 1.865 1.00 64.11 C ATOM 1696 CG ASN A 112 -39.013 14.588 2.582 1.00 42.02 C ATOM 1697 OD1 ASN A 112 -38.322 13.622 2.258 1.00 74.51 O ATOM 1698 ND2 ASN A 112 -39.907 14.534 3.563 1.00 45.40 N ATOM 0 H ASN A 112 -36.729 16.548 0.186 1.00 50.25 H new ATOM 0 HA ASN A 112 -39.125 14.818 0.035 1.00 72.43 H new ATOM 0 HB2 ASN A 112 -38.042 16.474 2.290 1.00 64.11 H new ATOM 0 HB3 ASN A 112 -39.776 16.512 2.035 1.00 64.11 H new ATOM 0 HD21 ASN A 112 -40.043 13.667 4.082 1.00 45.40 H new ATOM 0 HD22 ASN A 112 -40.458 15.360 3.797 1.00 45.40 H new ATOM 1705 N ARG A 113 -40.507 16.661 -0.921 1.00 20.34 N ATOM 1706 CA ARG A 113 -41.235 17.682 -1.665 1.00 53.42 C ATOM 1707 C ARG A 113 -41.531 18.891 -0.782 1.00 54.43 C ATOM 1708 O ARG A 113 -41.555 20.026 -1.257 1.00 33.44 O ATOM 1709 CB ARG A 113 -42.542 17.106 -2.215 1.00 52.52 C ATOM 1710 CG ARG A 113 -43.436 16.497 -1.148 1.00 1.01 C ATOM 1711 CD ARG A 113 -44.523 15.628 -1.761 1.00 10.22 C ATOM 1712 NE ARG A 113 -45.529 16.422 -2.461 1.00 43.12 N ATOM 1713 CZ ARG A 113 -46.719 15.952 -2.816 1.00 21.52 C ATOM 1714 NH1 ARG A 113 -47.051 14.699 -2.538 1.00 31.21 N1+ ATOM 1715 NH2 ARG A 113 -47.581 16.736 -3.451 1.00 54.41 N ATOM 0 H ARG A 113 -40.991 15.766 -0.848 1.00 20.34 H new ATOM 0 HA ARG A 113 -40.610 18.006 -2.497 1.00 53.42 H new ATOM 0 HB2 ARG A 113 -43.090 17.896 -2.728 1.00 52.52 H new ATOM 0 HB3 ARG A 113 -42.309 16.345 -2.959 1.00 52.52 H new ATOM 0 HG2 ARG A 113 -42.833 15.899 -0.465 1.00 1.01 H new ATOM 0 HG3 ARG A 113 -43.893 17.291 -0.558 1.00 1.01 H new ATOM 0 HD2 ARG A 113 -44.072 14.920 -2.456 1.00 10.22 H new ATOM 0 HD3 ARG A 113 -45.004 15.043 -0.977 1.00 10.22 H new ATOM 0 HE ARG A 113 -45.305 17.391 -2.690 1.00 43.12 H new ATOM 0 HH11 ARG A 113 -46.391 14.093 -2.050 1.00 31.21 H new ATOM 0 HH12 ARG A 113 -47.966 14.341 -2.812 1.00 31.21 H new ATOM 0 HH21 ARG A 113 -47.330 17.701 -3.667 1.00 54.41 H new ATOM 0 HH22 ARG A 113 -48.495 16.374 -3.723 1.00 54.41 H new ATOM 1729 N GLU A 114 -41.756 18.638 0.503 1.00 1.14 N ATOM 1730 CA GLU A 114 -42.052 19.706 1.451 1.00 4.11 C ATOM 1731 C GLU A 114 -40.914 20.721 1.499 1.00 41.23 C ATOM 1732 O GLU A 114 -41.130 21.899 1.783 1.00 33.03 O ATOM 1733 CB GLU A 114 -42.292 19.127 2.847 1.00 54.33 C ATOM 1734 CG GLU A 114 -43.700 18.592 3.050 1.00 44.41 C ATOM 1735 CD GLU A 114 -43.942 18.108 4.466 1.00 52.21 C ATOM 1736 OE1 GLU A 114 -44.207 18.954 5.345 1.00 71.42 O ATOM 1737 OE2 GLU A 114 -43.866 16.883 4.695 1.00 73.01 O1- ATOM 0 H GLU A 114 -41.739 17.704 0.912 1.00 1.14 H new ATOM 0 HA GLU A 114 -42.956 20.214 1.116 1.00 4.11 H new ATOM 0 HB2 GLU A 114 -41.578 18.323 3.026 1.00 54.33 H new ATOM 0 HB3 GLU A 114 -42.095 19.899 3.590 1.00 54.33 H new ATOM 0 HG2 GLU A 114 -44.420 19.374 2.810 1.00 44.41 H new ATOM 0 HG3 GLU A 114 -43.877 17.772 2.355 1.00 44.41 H new ATOM 1744 N ASP A 115 -39.701 20.255 1.219 1.00 61.31 N ATOM 1745 CA ASP A 115 -38.528 21.122 1.229 1.00 32.24 C ATOM 1746 C ASP A 115 -38.513 22.031 0.004 1.00 43.43 C ATOM 1747 O ASP A 115 -37.832 23.055 -0.013 1.00 43.12 O ATOM 1748 CB ASP A 115 -37.249 20.284 1.274 1.00 53.53 C ATOM 1749 CG ASP A 115 -36.022 21.118 1.582 1.00 13.43 C ATOM 1750 OD1 ASP A 115 -36.104 21.989 2.474 1.00 74.43 O ATOM 1751 OD2 ASP A 115 -34.978 20.899 0.933 1.00 32.32 O1- ATOM 0 H ASP A 115 -39.505 19.282 0.983 1.00 61.31 H new ATOM 0 HA ASP A 115 -38.576 21.746 2.121 1.00 32.24 H new ATOM 0 HB2 ASP A 115 -37.355 19.505 2.029 1.00 53.53 H new ATOM 0 HB3 ASP A 115 -37.113 19.782 0.316 1.00 53.53 H new ATOM 1756 N GLY A 116 -39.269 21.647 -1.021 1.00 54.51 N ATOM 1757 CA GLY A 116 -39.327 22.437 -2.236 1.00 23.20 C ATOM 1758 C GLY A 116 -38.603 21.777 -3.392 1.00 2.22 C ATOM 1759 O GLY A 116 -38.204 22.444 -4.347 1.00 55.14 O ATOM 0 H GLY A 116 -39.842 20.803 -1.031 1.00 54.51 H new ATOM 0 HA2 GLY A 116 -40.369 22.600 -2.510 1.00 23.20 H new ATOM 0 HA3 GLY A 116 -38.889 23.418 -2.049 1.00 23.20 H new ATOM 1763 N ASP A 117 -38.431 20.462 -3.307 1.00 71.14 N ATOM 1764 CA ASP A 117 -37.749 19.711 -4.355 1.00 22.33 C ATOM 1765 C ASP A 117 -38.755 19.043 -5.287 1.00 23.13 C ATOM 1766 O ASP A 117 -39.534 18.189 -4.865 1.00 55.15 O ATOM 1767 CB ASP A 117 -36.829 18.656 -3.738 1.00 15.40 C ATOM 1768 CG ASP A 117 -35.576 18.429 -4.562 1.00 11.35 C ATOM 1769 OD1 ASP A 117 -35.684 17.830 -5.652 1.00 73.13 O ATOM 1770 OD2 ASP A 117 -34.488 18.849 -4.115 1.00 42.23 O1- ATOM 0 H ASP A 117 -38.754 19.894 -2.524 1.00 71.14 H new ATOM 0 HA ASP A 117 -37.149 20.410 -4.938 1.00 22.33 H new ATOM 0 HB2 ASP A 117 -36.548 18.967 -2.732 1.00 15.40 H new ATOM 0 HB3 ASP A 117 -37.372 17.716 -3.641 1.00 15.40 H new ATOM 1775 N GLU A 118 -38.732 19.440 -6.556 1.00 12.24 N ATOM 1776 CA GLU A 118 -39.644 18.880 -7.547 1.00 23.12 C ATOM 1777 C GLU A 118 -39.324 17.412 -7.814 1.00 62.43 C ATOM 1778 O GLU A 118 -38.165 16.998 -7.760 1.00 43.24 O ATOM 1779 CB GLU A 118 -39.566 19.676 -8.851 1.00 34.24 C ATOM 1780 CG GLU A 118 -40.828 19.593 -9.692 1.00 62.21 C ATOM 1781 CD GLU A 118 -41.987 20.359 -9.084 1.00 42.54 C ATOM 1782 OE1 GLU A 118 -41.738 21.415 -8.464 1.00 52.30 O ATOM 1783 OE2 GLU A 118 -43.140 19.904 -9.227 1.00 0.43 O1- ATOM 0 H GLU A 118 -38.093 20.146 -6.921 1.00 12.24 H new ATOM 0 HA GLU A 118 -40.657 18.946 -7.149 1.00 23.12 H new ATOM 0 HB2 GLU A 118 -39.364 20.721 -8.617 1.00 34.24 H new ATOM 0 HB3 GLU A 118 -38.723 19.312 -9.439 1.00 34.24 H new ATOM 0 HG2 GLU A 118 -40.622 19.984 -10.688 1.00 62.21 H new ATOM 0 HG3 GLU A 118 -41.112 18.547 -9.812 1.00 62.21 H new ATOM 1790 N LEU A 119 -40.358 16.630 -8.102 1.00 53.45 N ATOM 1791 CA LEU A 119 -40.188 15.208 -8.377 1.00 44.14 C ATOM 1792 C LEU A 119 -40.915 14.810 -9.658 1.00 13.41 C ATOM 1793 O LEU A 119 -41.835 15.489 -10.115 1.00 3.34 O ATOM 1794 CB LEU A 119 -40.707 14.375 -7.203 1.00 54.15 C ATOM 1795 CG LEU A 119 -39.750 14.212 -6.022 1.00 4.14 C ATOM 1796 CD1 LEU A 119 -40.520 13.872 -4.755 1.00 75.22 C ATOM 1797 CD2 LEU A 119 -38.711 13.141 -6.320 1.00 64.10 C ATOM 0 H LEU A 119 -41.323 16.957 -8.151 1.00 53.45 H new ATOM 0 HA LEU A 119 -39.124 15.014 -8.510 1.00 44.14 H new ATOM 0 HB2 LEU A 119 -41.628 14.831 -6.839 1.00 54.15 H new ATOM 0 HB3 LEU A 119 -40.967 13.384 -7.574 1.00 54.15 H new ATOM 0 HG LEU A 119 -39.232 15.158 -5.866 1.00 4.14 H new ATOM 0 HD11 LEU A 119 -39.823 13.760 -3.925 1.00 75.22 H new ATOM 0 HD12 LEU A 119 -41.225 14.673 -4.531 1.00 75.22 H new ATOM 0 HD13 LEU A 119 -41.065 12.939 -4.900 1.00 75.22 H new ATOM 0 HD21 LEU A 119 -38.039 13.039 -5.468 1.00 64.10 H new ATOM 0 HD22 LEU A 119 -39.211 12.190 -6.503 1.00 64.10 H new ATOM 0 HD23 LEU A 119 -38.138 13.426 -7.202 1.00 64.10 H new ATOM 1809 N PRO A 120 -40.496 13.683 -10.251 1.00 20.10 N ATOM 1810 CA PRO A 120 -41.095 13.168 -11.486 1.00 0.40 C ATOM 1811 C PRO A 120 -42.511 12.643 -11.268 1.00 11.03 C ATOM 1812 O PRO A 120 -42.962 12.457 -10.138 1.00 42.43 O ATOM 1813 CB PRO A 120 -40.158 12.026 -11.886 1.00 45.01 C ATOM 1814 CG PRO A 120 -39.528 11.587 -10.609 1.00 75.10 C ATOM 1815 CD PRO A 120 -39.405 12.823 -9.762 1.00 64.30 C ATOM 0 HA PRO A 120 -41.192 13.944 -12.246 1.00 0.40 H new ATOM 0 HB2 PRO A 120 -40.707 11.211 -12.357 1.00 45.01 H new ATOM 0 HB3 PRO A 120 -39.408 12.362 -12.602 1.00 45.01 H new ATOM 0 HG2 PRO A 120 -40.138 10.832 -10.112 1.00 75.10 H new ATOM 0 HG3 PRO A 120 -38.551 11.139 -10.790 1.00 75.10 H new ATOM 0 HD2 PRO A 120 -39.517 12.596 -8.702 1.00 64.30 H new ATOM 0 HD3 PRO A 120 -38.432 13.299 -9.885 1.00 64.30 H new ATOM 1823 N PRO A 121 -43.228 12.398 -12.374 1.00 13.45 N ATOM 1824 CA PRO A 121 -44.603 11.890 -12.329 1.00 63.41 C ATOM 1825 C PRO A 121 -44.672 10.445 -11.846 1.00 74.12 C ATOM 1826 O PRO A 121 -44.066 9.553 -12.438 1.00 70.11 O ATOM 1827 CB PRO A 121 -45.065 11.990 -13.785 1.00 51.31 C ATOM 1828 CG PRO A 121 -43.811 11.927 -14.586 1.00 10.41 C ATOM 1829 CD PRO A 121 -42.754 12.597 -13.754 1.00 53.13 C ATOM 0 HA PRO A 121 -45.223 12.452 -11.631 1.00 63.41 H new ATOM 0 HB2 PRO A 121 -45.741 11.174 -14.043 1.00 51.31 H new ATOM 0 HB3 PRO A 121 -45.604 12.920 -13.966 1.00 51.31 H new ATOM 0 HG2 PRO A 121 -43.539 10.894 -14.805 1.00 10.41 H new ATOM 0 HG3 PRO A 121 -43.934 12.434 -15.543 1.00 10.41 H new ATOM 0 HD2 PRO A 121 -41.774 12.147 -13.911 1.00 53.13 H new ATOM 0 HD3 PRO A 121 -42.661 13.655 -13.998 1.00 53.13 H new ATOM 1837 N GLY A 122 -45.415 10.222 -10.767 1.00 43.21 N ATOM 1838 CA GLY A 122 -45.549 8.883 -10.223 1.00 45.50 C ATOM 1839 C GLY A 122 -44.750 8.691 -8.949 1.00 61.31 C ATOM 1840 O GLY A 122 -44.932 7.706 -8.235 1.00 64.21 O ATOM 0 H GLY A 122 -45.927 10.944 -10.260 1.00 43.21 H new ATOM 0 HA2 GLY A 122 -46.601 8.679 -10.022 1.00 45.50 H new ATOM 0 HA3 GLY A 122 -45.220 8.157 -10.967 1.00 45.50 H new ATOM 1844 N VAL A 123 -43.858 9.636 -8.664 1.00 20.12 N ATOM 1845 CA VAL A 123 -43.027 9.566 -7.469 1.00 30.11 C ATOM 1846 C VAL A 123 -43.494 10.566 -6.416 1.00 42.43 C ATOM 1847 O VAL A 123 -43.929 11.669 -6.743 1.00 35.02 O ATOM 1848 CB VAL A 123 -41.547 9.838 -7.798 1.00 72.33 C ATOM 1849 CG1 VAL A 123 -40.710 9.845 -6.527 1.00 14.23 C ATOM 1850 CG2 VAL A 123 -41.023 8.806 -8.785 1.00 34.10 C ATOM 0 H VAL A 123 -43.693 10.458 -9.245 1.00 20.12 H new ATOM 0 HA VAL A 123 -43.124 8.555 -7.074 1.00 30.11 H new ATOM 0 HB VAL A 123 -41.470 10.822 -8.261 1.00 72.33 H new ATOM 0 HG11 VAL A 123 -39.667 10.039 -6.779 1.00 14.23 H new ATOM 0 HG12 VAL A 123 -41.072 10.625 -5.857 1.00 14.23 H new ATOM 0 HG13 VAL A 123 -40.790 8.877 -6.033 1.00 14.23 H new ATOM 0 HG21 VAL A 123 -39.976 9.013 -9.006 1.00 34.10 H new ATOM 0 HG22 VAL A 123 -41.112 7.810 -8.351 1.00 34.10 H new ATOM 0 HG23 VAL A 123 -41.605 8.854 -9.705 1.00 34.10 H new ATOM 1860 N ASN A 124 -43.400 10.171 -5.150 1.00 33.12 N ATOM 1861 CA ASN A 124 -43.813 11.032 -4.048 1.00 53.53 C ATOM 1862 C ASN A 124 -42.611 11.454 -3.208 1.00 53.12 C ATOM 1863 O ASN A 124 -42.619 12.516 -2.587 1.00 73.13 O ATOM 1864 CB ASN A 124 -44.838 10.314 -3.169 1.00 43.21 C ATOM 1865 CG ASN A 124 -46.002 9.764 -3.969 1.00 42.43 C ATOM 1866 OD1 ASN A 124 -46.277 10.220 -5.079 1.00 73.31 O ATOM 1867 ND2 ASN A 124 -46.693 8.779 -3.408 1.00 3.04 N ATOM 0 H ASN A 124 -43.042 9.260 -4.862 1.00 33.12 H new ATOM 0 HA ASN A 124 -44.271 11.927 -4.470 1.00 53.53 H new ATOM 0 HB2 ASN A 124 -44.348 9.498 -2.637 1.00 43.21 H new ATOM 0 HB3 ASN A 124 -45.214 11.006 -2.415 1.00 43.21 H new ATOM 0 HD21 ASN A 124 -47.487 8.369 -3.899 1.00 3.04 H new ATOM 0 HD22 ASN A 124 -46.429 8.432 -2.486 1.00 3.04 H new ATOM 1874 N GLN A 125 -41.581 10.614 -3.195 1.00 42.31 N ATOM 1875 CA GLN A 125 -40.373 10.900 -2.430 1.00 61.22 C ATOM 1876 C GLN A 125 -39.144 10.311 -3.115 1.00 32.52 C ATOM 1877 O GLN A 125 -39.261 9.498 -4.033 1.00 3.53 O ATOM 1878 CB GLN A 125 -40.497 10.343 -1.011 1.00 74.32 C ATOM 1879 CG GLN A 125 -41.414 11.159 -0.115 1.00 12.52 C ATOM 1880 CD GLN A 125 -42.794 10.546 0.022 1.00 12.21 C ATOM 1881 OE1 GLN A 125 -42.947 9.446 0.554 1.00 35.21 O ATOM 1882 NE2 GLN A 125 -43.808 11.257 -0.458 1.00 13.11 N ATOM 0 H GLN A 125 -41.559 9.731 -3.705 1.00 42.31 H new ATOM 0 HA GLN A 125 -40.254 11.982 -2.377 1.00 61.22 H new ATOM 0 HB2 GLN A 125 -40.869 9.320 -1.063 1.00 74.32 H new ATOM 0 HB3 GLN A 125 -39.506 10.299 -0.559 1.00 74.32 H new ATOM 0 HG2 GLN A 125 -40.962 11.252 0.873 1.00 12.52 H new ATOM 0 HG3 GLN A 125 -41.507 12.167 -0.519 1.00 12.52 H new ATOM 0 HE21 GLN A 125 -43.635 12.164 -0.891 1.00 13.11 H new ATOM 0 HE22 GLN A 125 -44.760 10.896 -0.394 1.00 13.11 H new ATOM 1891 N LEU A 126 -37.965 10.725 -2.663 1.00 13.13 N ATOM 1892 CA LEU A 126 -36.713 10.239 -3.232 1.00 42.24 C ATOM 1893 C LEU A 126 -35.634 10.128 -2.159 1.00 22.01 C ATOM 1894 O LEU A 126 -35.328 11.101 -1.469 1.00 4.43 O ATOM 1895 CB LEU A 126 -36.243 11.170 -4.350 1.00 14.10 C ATOM 1896 CG LEU A 126 -35.267 10.566 -5.360 1.00 62.41 C ATOM 1897 CD1 LEU A 126 -33.927 10.278 -4.701 1.00 34.22 C ATOM 1898 CD2 LEU A 126 -35.847 9.298 -5.970 1.00 54.24 C ATOM 0 H LEU A 126 -37.850 11.396 -1.904 1.00 13.13 H new ATOM 0 HA LEU A 126 -36.891 9.246 -3.645 1.00 42.24 H new ATOM 0 HB2 LEU A 126 -37.119 11.527 -4.891 1.00 14.10 H new ATOM 0 HB3 LEU A 126 -35.772 12.042 -3.896 1.00 14.10 H new ATOM 0 HG LEU A 126 -35.107 11.290 -6.159 1.00 62.41 H new ATOM 0 HD11 LEU A 126 -33.245 9.849 -5.435 1.00 34.22 H new ATOM 0 HD12 LEU A 126 -33.505 11.205 -4.313 1.00 34.22 H new ATOM 0 HD13 LEU A 126 -34.069 9.573 -3.882 1.00 34.22 H new ATOM 0 HD21 LEU A 126 -35.139 8.882 -6.686 1.00 54.24 H new ATOM 0 HD22 LEU A 126 -36.037 8.569 -5.182 1.00 54.24 H new ATOM 0 HD23 LEU A 126 -36.782 9.534 -6.479 1.00 54.24 H new ATOM 1910 N VAL A 127 -35.060 8.937 -2.025 1.00 20.53 N ATOM 1911 CA VAL A 127 -34.013 8.699 -1.039 1.00 45.13 C ATOM 1912 C VAL A 127 -33.005 7.673 -1.545 1.00 1.10 C ATOM 1913 O VAL A 127 -33.380 6.603 -2.023 1.00 14.25 O ATOM 1914 CB VAL A 127 -34.601 8.210 0.297 1.00 20.41 C ATOM 1915 CG1 VAL A 127 -35.481 6.988 0.079 1.00 10.03 C ATOM 1916 CG2 VAL A 127 -33.488 7.905 1.289 1.00 54.52 C ATOM 0 H VAL A 127 -35.303 8.121 -2.587 1.00 20.53 H new ATOM 0 HA VAL A 127 -33.508 9.651 -0.877 1.00 45.13 H new ATOM 0 HB VAL A 127 -35.221 9.004 0.713 1.00 20.41 H new ATOM 0 HG11 VAL A 127 -35.887 6.657 1.035 1.00 10.03 H new ATOM 0 HG12 VAL A 127 -36.299 7.244 -0.594 1.00 10.03 H new ATOM 0 HG13 VAL A 127 -34.888 6.186 -0.360 1.00 10.03 H new ATOM 0 HG21 VAL A 127 -33.922 7.561 2.228 1.00 54.52 H new ATOM 0 HG22 VAL A 127 -32.841 7.128 0.882 1.00 54.52 H new ATOM 0 HG23 VAL A 127 -32.903 8.807 1.469 1.00 54.52 H new ATOM 1926 N ARG A 128 -31.723 8.007 -1.434 1.00 4.20 N ATOM 1927 CA ARG A 128 -30.660 7.114 -1.881 1.00 61.44 C ATOM 1928 C ARG A 128 -29.700 6.798 -0.738 1.00 20.05 C ATOM 1929 O ARG A 128 -29.516 7.605 0.174 1.00 44.24 O ATOM 1930 CB ARG A 128 -29.894 7.742 -3.046 1.00 53.24 C ATOM 1931 CG ARG A 128 -30.774 8.096 -4.234 1.00 2.30 C ATOM 1932 CD ARG A 128 -30.083 9.079 -5.166 1.00 44.25 C ATOM 1933 NE ARG A 128 -28.891 8.503 -5.782 1.00 42.20 N ATOM 1934 CZ ARG A 128 -28.248 9.062 -6.801 1.00 12.20 C ATOM 1935 NH1 ARG A 128 -28.679 10.206 -7.315 1.00 23.30 N1+ ATOM 1936 NH2 ARG A 128 -27.170 8.478 -7.308 1.00 64.11 N ATOM 0 H ARG A 128 -31.396 8.888 -1.039 1.00 4.20 H new ATOM 0 HA ARG A 128 -31.118 6.183 -2.216 1.00 61.44 H new ATOM 0 HB2 ARG A 128 -29.392 8.644 -2.695 1.00 53.24 H new ATOM 0 HB3 ARG A 128 -29.117 7.051 -3.373 1.00 53.24 H new ATOM 0 HG2 ARG A 128 -31.028 7.189 -4.783 1.00 2.30 H new ATOM 0 HG3 ARG A 128 -31.710 8.526 -3.879 1.00 2.30 H new ATOM 0 HD2 ARG A 128 -30.779 9.391 -5.945 1.00 44.25 H new ATOM 0 HD3 ARG A 128 -29.807 9.974 -4.609 1.00 44.25 H new ATOM 0 HE ARG A 128 -28.533 7.624 -5.410 1.00 42.20 H new ATOM 0 HH11 ARG A 128 -29.507 10.659 -6.928 1.00 23.30 H new ATOM 0 HH12 ARG A 128 -28.183 10.633 -8.097 1.00 23.30 H new ATOM 0 HH21 ARG A 128 -26.834 7.599 -6.915 1.00 64.11 H new ATOM 0 HH22 ARG A 128 -26.677 8.908 -8.091 1.00 64.11 H new ATOM 1950 N VAL A 129 -29.090 5.618 -0.793 1.00 61.44 N ATOM 1951 CA VAL A 129 -28.148 5.196 0.237 1.00 71.52 C ATOM 1952 C VAL A 129 -26.733 5.097 -0.321 1.00 13.23 C ATOM 1953 O VAL A 129 -26.535 4.739 -1.482 1.00 34.03 O ATOM 1954 CB VAL A 129 -28.547 3.835 0.838 1.00 44.32 C ATOM 1955 CG1 VAL A 129 -27.563 3.420 1.920 1.00 3.32 C ATOM 1956 CG2 VAL A 129 -29.965 3.891 1.387 1.00 62.34 C ATOM 0 H VAL A 129 -29.231 4.938 -1.540 1.00 61.44 H new ATOM 0 HA VAL A 129 -28.175 5.953 1.021 1.00 71.52 H new ATOM 0 HB VAL A 129 -28.517 3.085 0.048 1.00 44.32 H new ATOM 0 HG11 VAL A 129 -27.861 2.456 2.333 1.00 3.32 H new ATOM 0 HG12 VAL A 129 -26.564 3.338 1.491 1.00 3.32 H new ATOM 0 HG13 VAL A 129 -27.557 4.168 2.713 1.00 3.32 H new ATOM 0 HG21 VAL A 129 -30.231 2.921 1.808 1.00 62.34 H new ATOM 0 HG22 VAL A 129 -30.024 4.653 2.165 1.00 62.34 H new ATOM 0 HG23 VAL A 129 -30.657 4.139 0.582 1.00 62.34 H new ATOM 1966 N TYR A 130 -25.751 5.417 0.515 1.00 2.33 N ATOM 1967 CA TYR A 130 -24.352 5.366 0.106 1.00 2.11 C ATOM 1968 C TYR A 130 -23.566 4.385 0.970 1.00 50.21 C ATOM 1969 O TYR A 130 -23.497 4.534 2.190 1.00 35.14 O ATOM 1970 CB TYR A 130 -23.723 6.758 0.193 1.00 54.22 C ATOM 1971 CG TYR A 130 -24.278 7.738 -0.815 1.00 50.10 C ATOM 1972 CD1 TYR A 130 -25.584 8.201 -0.717 1.00 41.25 C ATOM 1973 CD2 TYR A 130 -23.497 8.200 -1.867 1.00 64.34 C ATOM 1974 CE1 TYR A 130 -26.096 9.096 -1.636 1.00 42.45 C ATOM 1975 CE2 TYR A 130 -24.000 9.096 -2.791 1.00 13.34 C ATOM 1976 CZ TYR A 130 -25.300 9.541 -2.671 1.00 23.14 C ATOM 1977 OH TYR A 130 -25.805 10.433 -3.589 1.00 43.15 O ATOM 0 H TYR A 130 -25.898 5.714 1.480 1.00 2.33 H new ATOM 0 HA TYR A 130 -24.314 5.021 -0.927 1.00 2.11 H new ATOM 0 HB2 TYR A 130 -23.878 7.155 1.196 1.00 54.22 H new ATOM 0 HB3 TYR A 130 -22.646 6.671 0.047 1.00 54.22 H new ATOM 0 HD1 TYR A 130 -26.210 7.855 0.092 1.00 41.25 H new ATOM 0 HD2 TYR A 130 -22.479 7.853 -1.964 1.00 64.34 H new ATOM 0 HE1 TYR A 130 -27.114 9.445 -1.545 1.00 42.45 H new ATOM 0 HE2 TYR A 130 -23.379 9.446 -3.602 1.00 13.34 H new ATOM 0 HH TYR A 130 -25.115 10.646 -4.252 1.00 43.15 H new ATOM 1987 N ILE A 131 -22.976 3.382 0.328 1.00 62.14 N ATOM 1988 CA ILE A 131 -22.194 2.377 1.037 1.00 14.52 C ATOM 1989 C ILE A 131 -20.760 2.332 0.521 1.00 32.22 C ATOM 1990 O ILE A 131 -20.525 2.182 -0.678 1.00 50.11 O ATOM 1991 CB ILE A 131 -22.821 0.977 0.902 1.00 53.44 C ATOM 1992 CG1 ILE A 131 -24.055 0.858 1.799 1.00 75.34 C ATOM 1993 CG2 ILE A 131 -21.801 -0.096 1.250 1.00 74.22 C ATOM 1994 CD1 ILE A 131 -25.362 0.977 1.048 1.00 41.20 C ATOM 0 H ILE A 131 -23.025 3.244 -0.681 1.00 62.14 H new ATOM 0 HA ILE A 131 -22.190 2.664 2.089 1.00 14.52 H new ATOM 0 HB ILE A 131 -23.132 0.833 -0.133 1.00 53.44 H new ATOM 0 HG12 ILE A 131 -24.028 -0.102 2.315 1.00 75.34 H new ATOM 0 HG13 ILE A 131 -24.014 1.633 2.565 1.00 75.34 H new ATOM 0 HG21 ILE A 131 -22.259 -1.080 1.150 1.00 74.22 H new ATOM 0 HG22 ILE A 131 -20.950 -0.022 0.573 1.00 74.22 H new ATOM 0 HG23 ILE A 131 -21.462 0.043 2.277 1.00 74.22 H new ATOM 0 HD11 ILE A 131 -26.193 0.883 1.747 1.00 41.20 H new ATOM 0 HD12 ILE A 131 -25.411 1.948 0.554 1.00 41.20 H new ATOM 0 HD13 ILE A 131 -25.425 0.186 0.301 1.00 41.20 H new ATOM 2006 N VAL A 132 -19.803 2.461 1.434 1.00 41.23 N ATOM 2007 CA VAL A 132 -18.391 2.431 1.072 1.00 34.34 C ATOM 2008 C VAL A 132 -17.814 1.028 1.222 1.00 0.01 C ATOM 2009 O VAL A 132 -17.860 0.441 2.303 1.00 51.31 O ATOM 2010 CB VAL A 132 -17.570 3.407 1.936 1.00 61.21 C ATOM 2011 CG1 VAL A 132 -17.940 4.847 1.613 1.00 1.22 C ATOM 2012 CG2 VAL A 132 -17.777 3.114 3.414 1.00 73.24 C ATOM 0 H VAL A 132 -19.980 2.587 2.431 1.00 41.23 H new ATOM 0 HA VAL A 132 -18.325 2.737 0.028 1.00 34.34 H new ATOM 0 HB VAL A 132 -16.514 3.268 1.706 1.00 61.21 H new ATOM 0 HG11 VAL A 132 -17.350 5.522 2.233 1.00 1.22 H new ATOM 0 HG12 VAL A 132 -17.735 5.048 0.561 1.00 1.22 H new ATOM 0 HG13 VAL A 132 -19.000 5.004 1.813 1.00 1.22 H new ATOM 0 HG21 VAL A 132 -17.190 3.813 4.009 1.00 73.24 H new ATOM 0 HG22 VAL A 132 -18.833 3.224 3.662 1.00 73.24 H new ATOM 0 HG23 VAL A 132 -17.457 2.095 3.631 1.00 73.24 H new ATOM 2022 N GLN A 133 -17.272 0.498 0.131 1.00 42.41 N ATOM 2023 CA GLN A 133 -16.686 -0.838 0.142 1.00 12.41 C ATOM 2024 C GLN A 133 -15.351 -0.840 0.881 1.00 54.20 C ATOM 2025 O GLN A 133 -14.456 -0.054 0.570 1.00 2.20 O ATOM 2026 CB GLN A 133 -16.492 -1.344 -1.288 1.00 71.20 C ATOM 2027 CG GLN A 133 -17.726 -2.016 -1.868 1.00 14.21 C ATOM 2028 CD GLN A 133 -18.565 -1.072 -2.706 1.00 65.31 C ATOM 2029 OE1 GLN A 133 -18.569 -1.151 -3.935 1.00 73.53 O ATOM 2030 NE2 GLN A 133 -19.282 -0.172 -2.045 1.00 12.32 N ATOM 0 H GLN A 133 -17.226 0.972 -0.771 1.00 42.41 H new ATOM 0 HA GLN A 133 -17.371 -1.505 0.666 1.00 12.41 H new ATOM 0 HB2 GLN A 133 -16.211 -0.506 -1.926 1.00 71.20 H new ATOM 0 HB3 GLN A 133 -15.662 -2.050 -1.305 1.00 71.20 H new ATOM 0 HG2 GLN A 133 -17.419 -2.864 -2.480 1.00 14.21 H new ATOM 0 HG3 GLN A 133 -18.335 -2.413 -1.056 1.00 14.21 H new ATOM 0 HE21 GLN A 133 -19.249 -0.142 -1.026 1.00 12.32 H new ATOM 0 HE22 GLN A 133 -19.866 0.490 -2.556 1.00 12.32 H new