USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 770 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 105 SER OG : rot 163:sc= 1.38 USER MOD Set 1.2: A 108 HIS : no HE2:sc= 0.236 K(o=1.6,f=-0.48) USER MOD Set 2.1: A 64 CYS SG : rot 31:sc= 0.0989 USER MOD Set 2.2: A 68 LYS NZ :NH3+ 164:sc= 1.27 (180deg=1.02) USER MOD Set 3.1: A 61 ASN : amide:sc= 1.5 K(o=2.4,f=-5.7!) USER MOD Set 3.2: A 84 THR OG1 : rot 29:sc= 0.888 USER MOD Set 4.1: A 15 MET CE :methyl -132:sc= -3.72! (180deg=-2.61) USER MOD Set 4.2: A 49 SER OG : rot -39:sc= -0.804! USER MOD Set 5.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 35 GLN : amide:sc= 0.64 K(o=1.7,f=-2.4!) USER MOD Set 5.3: A 70 HIS : no HE2:sc= 1.07 K(o=1.7,f=-10!) USER MOD Single : A 13 CYS SG : rot 140:sc= -0.237 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -156:sc= 1.1 (180deg=0.76) USER MOD Single : A 17 LYS NZ :NH3+ -172:sc= 1.14 (180deg=1.09) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc=-0.00517 X(o=-0.0052,f=-0.47) USER MOD Single : A 27 HIS : no HD1:sc= -1.38! K(o=-1.4!,f=0) USER MOD Single : A 39 SER OG : rot -19:sc= 0.749 USER MOD Single : A 44 SER OG : rot -80:sc= 1.57 USER MOD Single : A 54 GLN : amide:sc= -0.016 K(o=-0.016,f=-1.1) USER MOD Single : A 65 MET CE :methyl -111:sc= -0.26 (180deg=-2.53!) USER MOD Single : A 69 GLN : amide:sc= -0.0314 K(o=-0.031,f=-0.93) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -158:sc= 0.0715 (180deg=-0.0318) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.00148 USER MOD Single : A 98 LYS NZ :NH3+ 168:sc= 1.11 (180deg=0.201!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 CYS SG : rot 180:sc= -0.012 USER MOD Single : A 106 GLN : amide:sc= -0.717 X(o=-0.72,f=-1) USER MOD Single : A 110 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 106 N LEU A 8 -7.846 -8.026 -2.079 1.00 0.80 N ATOM 107 CA LEU A 8 -8.028 -6.573 -1.993 1.00 0.56 C ATOM 108 C LEU A 8 -7.485 -5.996 -0.689 1.00 0.48 C ATOM 109 O LEU A 8 -7.944 -4.953 -0.226 1.00 0.47 O ATOM 110 CB LEU A 8 -9.507 -6.202 -2.127 1.00 0.47 C ATOM 111 CG LEU A 8 -10.178 -6.628 -3.428 1.00 0.56 C ATOM 112 CD1 LEU A 8 -11.622 -6.166 -3.441 1.00 0.61 C ATOM 113 CD2 LEU A 8 -9.435 -6.062 -4.621 1.00 0.72 C ATOM 0 HA LEU A 8 -7.461 -6.142 -2.818 1.00 0.56 H new ATOM 0 HB2 LEU A 8 -10.052 -6.648 -1.295 1.00 0.47 H new ATOM 0 HB3 LEU A 8 -9.602 -5.121 -2.027 1.00 0.47 H new ATOM 0 HG LEU A 8 -10.153 -7.716 -3.493 1.00 0.56 H new ATOM 0 HD11 LEU A 8 -12.094 -6.474 -4.374 1.00 0.61 H new ATOM 0 HD12 LEU A 8 -12.154 -6.611 -2.600 1.00 0.61 H new ATOM 0 HD13 LEU A 8 -11.657 -5.080 -3.358 1.00 0.61 H new ATOM 0 HD21 LEU A 8 -9.929 -6.377 -5.540 1.00 0.72 H new ATOM 0 HD22 LEU A 8 -9.432 -4.973 -4.565 1.00 0.72 H new ATOM 0 HD23 LEU A 8 -8.408 -6.428 -4.617 1.00 0.72 H new ATOM 125 N ARG A 9 -6.495 -6.650 -0.117 1.00 0.52 N ATOM 126 CA ARG A 9 -5.939 -6.206 1.148 1.00 0.51 C ATOM 127 C ARG A 9 -4.529 -5.663 0.953 1.00 0.43 C ATOM 128 O ARG A 9 -3.768 -6.167 0.123 1.00 0.47 O ATOM 129 CB ARG A 9 -5.921 -7.356 2.156 1.00 0.69 C ATOM 130 CG ARG A 9 -5.043 -8.517 1.734 1.00 1.15 C ATOM 131 CD ARG A 9 -4.910 -9.540 2.843 1.00 1.21 C ATOM 132 NE ARG A 9 -3.947 -10.589 2.502 1.00 1.84 N ATOM 133 CZ ARG A 9 -3.332 -11.365 3.398 1.00 2.23 C ATOM 134 NH1 ARG A 9 -3.550 -11.190 4.698 1.00 2.21 N ATOM 135 NH2 ARG A 9 -2.482 -12.304 2.995 1.00 3.09 N ATOM 0 H ARG A 9 -6.059 -7.487 -0.504 1.00 0.52 H new ATOM 0 HA ARG A 9 -6.570 -5.407 1.536 1.00 0.51 H new ATOM 0 HB2 ARG A 9 -5.574 -6.980 3.118 1.00 0.69 H new ATOM 0 HB3 ARG A 9 -6.939 -7.716 2.303 1.00 0.69 H new ATOM 0 HG2 ARG A 9 -5.465 -8.991 0.848 1.00 1.15 H new ATOM 0 HG3 ARG A 9 -4.056 -8.147 1.458 1.00 1.15 H new ATOM 0 HD2 ARG A 9 -4.596 -9.043 3.761 1.00 1.21 H new ATOM 0 HD3 ARG A 9 -5.883 -9.990 3.041 1.00 1.21 H new ATOM 0 HE ARG A 9 -3.732 -10.737 1.516 1.00 1.84 H new ATOM 0 HH11 ARG A 9 -4.189 -10.461 5.014 1.00 2.21 H new ATOM 0 HH12 ARG A 9 -3.078 -11.785 5.379 1.00 2.21 H new ATOM 0 HH21 ARG A 9 -2.299 -12.433 2.000 1.00 3.09 H new ATOM 0 HH22 ARG A 9 -2.013 -12.896 3.681 1.00 3.09 H new ATOM 149 N PRO A 10 -4.177 -4.606 1.699 1.00 0.36 N ATOM 150 CA PRO A 10 -2.819 -4.070 1.714 1.00 0.30 C ATOM 151 C PRO A 10 -1.882 -4.971 2.512 1.00 0.28 C ATOM 152 O PRO A 10 -2.315 -5.965 3.098 1.00 0.38 O ATOM 153 CB PRO A 10 -2.984 -2.713 2.401 1.00 0.29 C ATOM 154 CG PRO A 10 -4.169 -2.881 3.288 1.00 0.47 C ATOM 155 CD PRO A 10 -5.081 -3.851 2.586 1.00 0.40 C ATOM 0 HA PRO A 10 -2.381 -3.997 0.719 1.00 0.30 H new ATOM 0 HB2 PRO A 10 -2.095 -2.448 2.973 1.00 0.29 H new ATOM 0 HB3 PRO A 10 -3.143 -1.917 1.673 1.00 0.29 H new ATOM 0 HG2 PRO A 10 -3.873 -3.262 4.266 1.00 0.47 H new ATOM 0 HG3 PRO A 10 -4.669 -1.927 3.455 1.00 0.47 H new ATOM 0 HD2 PRO A 10 -5.587 -4.508 3.294 1.00 0.40 H new ATOM 0 HD3 PRO A 10 -5.856 -3.334 2.021 1.00 0.40 H new ATOM 163 N ARG A 11 -0.606 -4.624 2.551 1.00 0.29 N ATOM 164 CA ARG A 11 0.373 -5.429 3.269 1.00 0.34 C ATOM 165 C ARG A 11 1.469 -4.560 3.873 1.00 0.27 C ATOM 166 O ARG A 11 1.937 -3.606 3.248 1.00 0.27 O ATOM 167 CB ARG A 11 0.961 -6.491 2.336 1.00 0.49 C ATOM 168 CG ARG A 11 1.311 -5.972 0.950 1.00 0.63 C ATOM 169 CD ARG A 11 1.611 -7.113 -0.005 1.00 1.00 C ATOM 170 NE ARG A 11 1.721 -6.653 -1.389 1.00 1.22 N ATOM 171 CZ ARG A 11 0.888 -7.023 -2.360 1.00 1.59 C ATOM 172 NH1 ARG A 11 -0.158 -7.790 -2.090 1.00 1.95 N ATOM 173 NH2 ARG A 11 1.088 -6.605 -3.597 1.00 2.37 N ATOM 0 H ARG A 11 -0.223 -3.795 2.097 1.00 0.29 H new ATOM 0 HA ARG A 11 -0.131 -5.931 4.094 1.00 0.34 H new ATOM 0 HB2 ARG A 11 1.859 -6.906 2.795 1.00 0.49 H new ATOM 0 HB3 ARG A 11 0.247 -7.308 2.237 1.00 0.49 H new ATOM 0 HG2 ARG A 11 0.484 -5.378 0.562 1.00 0.63 H new ATOM 0 HG3 ARG A 11 2.176 -5.311 1.014 1.00 0.63 H new ATOM 0 HD2 ARG A 11 2.541 -7.599 0.291 1.00 1.00 H new ATOM 0 HD3 ARG A 11 0.823 -7.863 0.067 1.00 1.00 H new ATOM 0 HE ARG A 11 2.479 -6.012 -1.624 1.00 1.22 H new ATOM 0 HH11 ARG A 11 -0.329 -8.101 -1.134 1.00 1.95 H new ATOM 0 HH12 ARG A 11 -0.792 -8.070 -2.838 1.00 1.95 H new ATOM 0 HH21 ARG A 11 1.881 -5.999 -3.809 1.00 2.37 H new ATOM 0 HH22 ARG A 11 0.450 -6.888 -4.341 1.00 2.37 H new ATOM 187 N LEU A 12 1.850 -4.886 5.107 1.00 0.29 N ATOM 188 CA LEU A 12 2.902 -4.165 5.812 1.00 0.26 C ATOM 189 C LEU A 12 4.240 -4.847 5.593 1.00 0.25 C ATOM 190 O LEU A 12 4.433 -5.999 5.982 1.00 0.32 O ATOM 191 CB LEU A 12 2.614 -4.103 7.318 1.00 0.34 C ATOM 192 CG LEU A 12 2.410 -2.700 7.909 1.00 0.60 C ATOM 193 CD1 LEU A 12 2.252 -2.780 9.420 1.00 1.32 C ATOM 194 CD2 LEU A 12 3.570 -1.778 7.557 1.00 1.28 C ATOM 0 H LEU A 12 1.440 -5.652 5.641 1.00 0.29 H new ATOM 0 HA LEU A 12 2.933 -3.150 5.415 1.00 0.26 H new ATOM 0 HB2 LEU A 12 1.721 -4.694 7.521 1.00 0.34 H new ATOM 0 HB3 LEU A 12 3.440 -4.581 7.845 1.00 0.34 H new ATOM 0 HG LEU A 12 1.500 -2.285 7.475 1.00 0.60 H new ATOM 0 HD11 LEU A 12 2.108 -1.778 9.824 1.00 1.32 H new ATOM 0 HD12 LEU A 12 1.387 -3.397 9.663 1.00 1.32 H new ATOM 0 HD13 LEU A 12 3.147 -3.222 9.857 1.00 1.32 H new ATOM 0 HD21 LEU A 12 3.396 -0.793 7.990 1.00 1.28 H new ATOM 0 HD22 LEU A 12 4.497 -2.191 7.956 1.00 1.28 H new ATOM 0 HD23 LEU A 12 3.649 -1.690 6.473 1.00 1.28 H new ATOM 206 N CYS A 13 5.151 -4.148 4.955 1.00 0.23 N ATOM 207 CA CYS A 13 6.488 -4.655 4.757 1.00 0.25 C ATOM 208 C CYS A 13 7.404 -4.081 5.832 1.00 0.22 C ATOM 209 O CYS A 13 7.614 -2.873 5.891 1.00 0.24 O ATOM 210 CB CYS A 13 6.984 -4.250 3.369 1.00 0.29 C ATOM 211 SG CYS A 13 5.727 -4.390 2.073 1.00 0.40 S ATOM 0 H CYS A 13 4.988 -3.221 4.562 1.00 0.23 H new ATOM 0 HA CYS A 13 6.489 -5.743 4.829 1.00 0.25 H new ATOM 0 HB2 CYS A 13 7.340 -3.220 3.407 1.00 0.29 H new ATOM 0 HB3 CYS A 13 7.838 -4.873 3.103 1.00 0.29 H new ATOM 0 HG CYS A 13 5.822 -3.376 1.265 1.00 0.40 H new ATOM 217 N THR A 14 7.943 -4.936 6.683 1.00 0.23 N ATOM 218 CA THR A 14 8.823 -4.474 7.741 1.00 0.24 C ATOM 219 C THR A 14 10.245 -4.927 7.447 1.00 0.22 C ATOM 220 O THR A 14 10.531 -6.125 7.402 1.00 0.25 O ATOM 221 CB THR A 14 8.367 -5.008 9.113 1.00 0.31 C ATOM 222 OG1 THR A 14 6.978 -4.706 9.311 1.00 0.35 O ATOM 223 CG2 THR A 14 9.182 -4.389 10.240 1.00 0.35 C ATOM 0 H THR A 14 7.789 -5.944 6.663 1.00 0.23 H new ATOM 0 HA THR A 14 8.786 -3.385 7.777 1.00 0.24 H new ATOM 0 HB THR A 14 8.520 -6.087 9.126 1.00 0.31 H new ATOM 0 HG1 THR A 14 6.690 -5.048 10.183 1.00 0.35 H new ATOM 0 HG21 THR A 14 8.839 -4.784 11.196 1.00 0.35 H new ATOM 0 HG22 THR A 14 10.236 -4.633 10.104 1.00 0.35 H new ATOM 0 HG23 THR A 14 9.056 -3.306 10.228 1.00 0.35 H new ATOM 231 N MET A 15 11.135 -3.968 7.260 1.00 0.20 N ATOM 232 CA MET A 15 12.475 -4.267 6.793 1.00 0.19 C ATOM 233 C MET A 15 13.518 -3.504 7.594 1.00 0.21 C ATOM 234 O MET A 15 13.320 -2.342 7.942 1.00 0.21 O ATOM 235 CB MET A 15 12.593 -3.919 5.305 1.00 0.21 C ATOM 236 CG MET A 15 12.328 -2.453 5.000 1.00 0.24 C ATOM 237 SD MET A 15 12.368 -2.079 3.238 1.00 0.88 S ATOM 238 CE MET A 15 10.824 -2.815 2.705 1.00 0.28 C ATOM 0 H MET A 15 10.953 -2.978 7.424 1.00 0.20 H new ATOM 0 HA MET A 15 12.658 -5.332 6.932 1.00 0.19 H new ATOM 0 HB2 MET A 15 13.593 -4.179 4.958 1.00 0.21 H new ATOM 0 HB3 MET A 15 11.890 -4.532 4.740 1.00 0.21 H new ATOM 0 HG2 MET A 15 11.354 -2.175 5.402 1.00 0.24 H new ATOM 0 HG3 MET A 15 13.071 -1.841 5.512 1.00 0.24 H new ATOM 0 HE1 MET A 15 10.999 -3.426 1.819 1.00 0.28 H new ATOM 0 HE2 MET A 15 10.424 -3.440 3.504 1.00 0.28 H new ATOM 0 HE3 MET A 15 10.109 -2.028 2.467 1.00 0.28 H new ATOM 248 N LYS A 16 14.620 -4.169 7.885 1.00 0.29 N ATOM 249 CA LYS A 16 15.724 -3.558 8.605 1.00 0.37 C ATOM 250 C LYS A 16 16.906 -3.386 7.662 1.00 0.40 C ATOM 251 O LYS A 16 17.033 -4.122 6.680 1.00 0.48 O ATOM 252 CB LYS A 16 16.124 -4.427 9.802 1.00 0.50 C ATOM 253 CG LYS A 16 17.168 -3.783 10.700 1.00 0.90 C ATOM 254 CD LYS A 16 17.595 -4.713 11.823 1.00 1.09 C ATOM 255 CE LYS A 16 18.683 -4.084 12.684 1.00 1.96 C ATOM 256 NZ LYS A 16 19.888 -3.729 11.887 1.00 2.58 N ATOM 0 H LYS A 16 14.776 -5.144 7.631 1.00 0.29 H new ATOM 0 HA LYS A 16 15.414 -2.582 8.978 1.00 0.37 H new ATOM 0 HB2 LYS A 16 15.235 -4.648 10.393 1.00 0.50 H new ATOM 0 HB3 LYS A 16 16.509 -5.379 9.437 1.00 0.50 H new ATOM 0 HG2 LYS A 16 18.039 -3.507 10.105 1.00 0.90 H new ATOM 0 HG3 LYS A 16 16.766 -2.862 11.123 1.00 0.90 H new ATOM 0 HD2 LYS A 16 16.733 -4.956 12.444 1.00 1.09 H new ATOM 0 HD3 LYS A 16 17.959 -5.650 11.402 1.00 1.09 H new ATOM 0 HE2 LYS A 16 18.291 -3.189 13.167 1.00 1.96 H new ATOM 0 HE3 LYS A 16 18.964 -4.777 13.477 1.00 1.96 H new ATOM 0 HZ1 LYS A 16 20.719 -3.695 12.511 1.00 2.58 H new ATOM 0 HZ2 LYS A 16 20.039 -4.445 11.148 1.00 2.58 H new ATOM 0 HZ3 LYS A 16 19.749 -2.798 11.444 1.00 2.58 H new ATOM 270 N LYS A 17 17.748 -2.402 7.943 1.00 0.41 N ATOM 271 CA LYS A 17 18.905 -2.131 7.112 1.00 0.50 C ATOM 272 C LYS A 17 19.938 -3.241 7.232 1.00 0.60 C ATOM 273 O LYS A 17 20.729 -3.285 8.176 1.00 0.67 O ATOM 274 CB LYS A 17 19.531 -0.800 7.491 1.00 0.51 C ATOM 275 CG LYS A 17 19.688 0.141 6.314 1.00 0.52 C ATOM 276 CD LYS A 17 20.255 1.481 6.738 1.00 0.53 C ATOM 277 CE LYS A 17 19.296 2.217 7.653 1.00 0.62 C ATOM 278 NZ LYS A 17 19.870 3.495 8.142 1.00 0.92 N ATOM 0 H LYS A 17 17.648 -1.778 8.744 1.00 0.41 H new ATOM 0 HA LYS A 17 18.568 -2.085 6.076 1.00 0.50 H new ATOM 0 HB2 LYS A 17 18.916 -0.320 8.252 1.00 0.51 H new ATOM 0 HB3 LYS A 17 20.509 -0.980 7.938 1.00 0.51 H new ATOM 0 HG2 LYS A 17 20.344 -0.313 5.571 1.00 0.52 H new ATOM 0 HG3 LYS A 17 18.720 0.291 5.836 1.00 0.52 H new ATOM 0 HD2 LYS A 17 21.206 1.331 7.249 1.00 0.53 H new ATOM 0 HD3 LYS A 17 20.459 2.088 5.856 1.00 0.53 H new ATOM 0 HE2 LYS A 17 18.366 2.417 7.120 1.00 0.62 H new ATOM 0 HE3 LYS A 17 19.046 1.582 8.503 1.00 0.62 H new ATOM 0 HZ1 LYS A 17 19.245 3.901 8.867 1.00 0.92 H new ATOM 0 HZ2 LYS A 17 20.809 3.319 8.553 1.00 0.92 H new ATOM 0 HZ3 LYS A 17 19.959 4.162 7.349 1.00 0.92 H new ATOM 292 N GLY A 18 19.916 -4.129 6.262 1.00 0.68 N ATOM 293 CA GLY A 18 20.834 -5.244 6.241 1.00 0.85 C ATOM 294 C GLY A 18 21.913 -5.052 5.201 1.00 1.05 C ATOM 295 O GLY A 18 22.808 -4.228 5.387 1.00 1.28 O ATOM 0 H GLY A 18 19.269 -4.099 5.474 1.00 0.68 H new ATOM 0 HA2 GLY A 18 21.291 -5.359 7.224 1.00 0.85 H new ATOM 0 HA3 GLY A 18 20.287 -6.164 6.034 1.00 0.85 H new ATOM 299 N PRO A 19 21.849 -5.793 4.087 1.00 1.24 N ATOM 300 CA PRO A 19 22.818 -5.668 2.998 1.00 1.57 C ATOM 301 C PRO A 19 22.682 -4.355 2.224 1.00 1.57 C ATOM 302 O PRO A 19 22.009 -4.291 1.192 1.00 2.23 O ATOM 303 CB PRO A 19 22.508 -6.863 2.094 1.00 1.91 C ATOM 304 CG PRO A 19 21.087 -7.207 2.380 1.00 1.86 C ATOM 305 CD PRO A 19 20.846 -6.837 3.818 1.00 1.40 C ATOM 0 HA PRO A 19 23.840 -5.659 3.376 1.00 1.57 H new ATOM 0 HB2 PRO A 19 22.649 -6.609 1.043 1.00 1.91 H new ATOM 0 HB3 PRO A 19 23.168 -7.703 2.310 1.00 1.91 H new ATOM 0 HG2 PRO A 19 20.414 -6.660 1.720 1.00 1.86 H new ATOM 0 HG3 PRO A 19 20.903 -8.269 2.215 1.00 1.86 H new ATOM 0 HD2 PRO A 19 19.832 -6.466 3.971 1.00 1.40 H new ATOM 0 HD3 PRO A 19 20.975 -7.695 4.478 1.00 1.40 H new ATOM 313 N SER A 20 23.310 -3.314 2.756 1.00 1.40 N ATOM 314 CA SER A 20 23.457 -2.033 2.070 1.00 1.65 C ATOM 315 C SER A 20 22.121 -1.335 1.792 1.00 1.43 C ATOM 316 O SER A 20 21.712 -1.189 0.641 1.00 1.93 O ATOM 317 CB SER A 20 24.243 -2.228 0.772 1.00 2.14 C ATOM 318 OG SER A 20 25.522 -2.779 1.041 1.00 2.87 O ATOM 0 H SER A 20 23.736 -3.333 3.683 1.00 1.40 H new ATOM 0 HA SER A 20 24.007 -1.374 2.742 1.00 1.65 H new ATOM 0 HB2 SER A 20 23.691 -2.887 0.102 1.00 2.14 H new ATOM 0 HB3 SER A 20 24.353 -1.272 0.260 1.00 2.14 H new ATOM 0 HG SER A 20 26.010 -2.899 0.200 1.00 2.87 H new ATOM 324 N GLY A 21 21.454 -0.904 2.856 1.00 1.04 N ATOM 325 CA GLY A 21 20.315 -0.010 2.718 1.00 0.94 C ATOM 326 C GLY A 21 19.083 -0.657 2.115 1.00 0.97 C ATOM 327 O GLY A 21 18.574 -0.184 1.100 1.00 1.93 O ATOM 0 H GLY A 21 21.682 -1.158 3.817 1.00 1.04 H new ATOM 0 HA2 GLY A 21 20.059 0.387 3.700 1.00 0.94 H new ATOM 0 HA3 GLY A 21 20.606 0.838 2.098 1.00 0.94 H new ATOM 331 N TYR A 22 18.608 -1.726 2.753 1.00 0.74 N ATOM 332 CA TYR A 22 17.354 -2.393 2.377 1.00 0.70 C ATOM 333 C TYR A 22 17.471 -3.086 1.014 1.00 0.89 C ATOM 334 O TYR A 22 17.569 -4.310 0.946 1.00 1.82 O ATOM 335 CB TYR A 22 16.182 -1.399 2.363 1.00 0.64 C ATOM 336 CG TYR A 22 16.083 -0.525 3.599 1.00 0.50 C ATOM 337 CD1 TYR A 22 15.847 -1.089 4.847 1.00 0.47 C ATOM 338 CD2 TYR A 22 16.227 0.855 3.521 1.00 0.55 C ATOM 339 CE1 TYR A 22 15.753 -0.306 5.980 1.00 0.46 C ATOM 340 CE2 TYR A 22 16.135 1.646 4.653 1.00 0.54 C ATOM 341 CZ TYR A 22 15.904 1.094 5.855 1.00 0.46 C ATOM 342 OH TYR A 22 15.804 1.843 7.008 1.00 0.59 O ATOM 0 H TYR A 22 19.080 -2.158 3.547 1.00 0.74 H new ATOM 0 HA TYR A 22 17.158 -3.155 3.131 1.00 0.70 H new ATOM 0 HB2 TYR A 22 16.277 -0.758 1.487 1.00 0.64 H new ATOM 0 HB3 TYR A 22 15.251 -1.956 2.252 1.00 0.64 H new ATOM 0 HD1 TYR A 22 15.735 -2.160 4.932 1.00 0.47 H new ATOM 0 HD2 TYR A 22 16.413 1.317 2.563 1.00 0.55 H new ATOM 0 HE1 TYR A 22 15.567 -0.755 6.945 1.00 0.46 H new ATOM 0 HE2 TYR A 22 16.250 2.717 4.569 1.00 0.54 H new ATOM 0 HH TYR A 22 15.927 2.791 6.794 1.00 0.59 H new ATOM 352 N GLY A 23 17.453 -2.308 -0.060 1.00 0.43 N ATOM 353 CA GLY A 23 17.575 -2.873 -1.390 1.00 0.42 C ATOM 354 C GLY A 23 16.268 -2.848 -2.161 1.00 0.39 C ATOM 355 O GLY A 23 15.656 -3.892 -2.400 1.00 0.39 O ATOM 0 H GLY A 23 17.356 -1.293 -0.034 1.00 0.43 H new ATOM 0 HA2 GLY A 23 18.331 -2.320 -1.947 1.00 0.42 H new ATOM 0 HA3 GLY A 23 17.926 -3.902 -1.312 1.00 0.42 H new ATOM 359 N PHE A 24 15.841 -1.653 -2.554 1.00 0.37 N ATOM 360 CA PHE A 24 14.657 -1.486 -3.386 1.00 0.36 C ATOM 361 C PHE A 24 14.749 -0.174 -4.155 1.00 0.38 C ATOM 362 O PHE A 24 15.402 0.771 -3.710 1.00 0.40 O ATOM 363 CB PHE A 24 13.370 -1.528 -2.544 1.00 0.34 C ATOM 364 CG PHE A 24 13.250 -0.428 -1.520 1.00 0.32 C ATOM 365 CD1 PHE A 24 13.811 -0.565 -0.260 1.00 0.33 C ATOM 366 CD2 PHE A 24 12.572 0.743 -1.819 1.00 0.34 C ATOM 367 CE1 PHE A 24 13.697 0.443 0.680 1.00 0.35 C ATOM 368 CE2 PHE A 24 12.455 1.753 -0.883 1.00 0.36 C ATOM 369 CZ PHE A 24 13.020 1.604 0.366 1.00 0.36 C ATOM 0 H PHE A 24 16.303 -0.778 -2.306 1.00 0.37 H new ATOM 0 HA PHE A 24 14.615 -2.315 -4.093 1.00 0.36 H new ATOM 0 HB2 PHE A 24 12.512 -1.477 -3.214 1.00 0.34 H new ATOM 0 HB3 PHE A 24 13.318 -2.489 -2.032 1.00 0.34 H new ATOM 0 HD1 PHE A 24 14.344 -1.470 -0.009 1.00 0.33 H new ATOM 0 HD2 PHE A 24 12.129 0.868 -2.796 1.00 0.34 H new ATOM 0 HE1 PHE A 24 14.137 0.322 1.659 1.00 0.35 H new ATOM 0 HE2 PHE A 24 11.921 2.659 -1.130 1.00 0.36 H new ATOM 0 HZ PHE A 24 12.933 2.394 1.097 1.00 0.36 H new ATOM 379 N ASN A 25 14.109 -0.124 -5.309 1.00 0.43 N ATOM 380 CA ASN A 25 14.120 1.068 -6.142 1.00 0.46 C ATOM 381 C ASN A 25 12.794 1.804 -6.021 1.00 0.42 C ATOM 382 O ASN A 25 11.725 1.193 -6.080 1.00 0.39 O ATOM 383 CB ASN A 25 14.384 0.704 -7.605 1.00 0.51 C ATOM 384 CG ASN A 25 15.683 -0.060 -7.796 1.00 1.23 C ATOM 385 OD1 ASN A 25 15.701 -1.291 -7.750 1.00 2.18 O ATOM 386 ND2 ASN A 25 16.776 0.656 -8.019 1.00 1.65 N ATOM 0 H ASN A 25 13.571 -0.900 -5.694 1.00 0.43 H new ATOM 0 HA ASN A 25 14.923 1.720 -5.797 1.00 0.46 H new ATOM 0 HB2 ASN A 25 13.556 0.103 -7.980 1.00 0.51 H new ATOM 0 HB3 ASN A 25 14.413 1.615 -8.202 1.00 0.51 H new ATOM 0 HD21 ASN A 25 17.672 0.189 -8.160 1.00 1.65 H new ATOM 0 HD22 ASN A 25 16.721 1.674 -8.050 1.00 1.65 H new ATOM 393 N LEU A 26 12.873 3.115 -5.873 1.00 0.50 N ATOM 394 CA LEU A 26 11.697 3.950 -5.661 1.00 0.52 C ATOM 395 C LEU A 26 11.316 4.637 -6.970 1.00 0.55 C ATOM 396 O LEU A 26 12.175 4.872 -7.823 1.00 0.73 O ATOM 397 CB LEU A 26 12.002 4.989 -4.566 1.00 0.69 C ATOM 398 CG LEU A 26 10.877 5.273 -3.553 1.00 0.87 C ATOM 399 CD1 LEU A 26 9.769 6.114 -4.167 1.00 1.52 C ATOM 400 CD2 LEU A 26 10.310 3.970 -3.005 1.00 1.48 C ATOM 0 H LEU A 26 13.751 3.633 -5.896 1.00 0.50 H new ATOM 0 HA LEU A 26 10.857 3.336 -5.336 1.00 0.52 H new ATOM 0 HB2 LEU A 26 12.881 4.655 -4.015 1.00 0.69 H new ATOM 0 HB3 LEU A 26 12.268 5.928 -5.052 1.00 0.69 H new ATOM 0 HG LEU A 26 11.311 5.843 -2.731 1.00 0.87 H new ATOM 0 HD11 LEU A 26 8.993 6.294 -3.422 1.00 1.52 H new ATOM 0 HD12 LEU A 26 10.179 7.067 -4.502 1.00 1.52 H new ATOM 0 HD13 LEU A 26 9.340 5.585 -5.018 1.00 1.52 H new ATOM 0 HD21 LEU A 26 9.516 4.190 -2.291 1.00 1.48 H new ATOM 0 HD22 LEU A 26 9.906 3.376 -3.825 1.00 1.48 H new ATOM 0 HD23 LEU A 26 11.101 3.410 -2.507 1.00 1.48 H new ATOM 412 N HIS A 27 10.038 4.943 -7.136 1.00 0.56 N ATOM 413 CA HIS A 27 9.563 5.588 -8.350 1.00 0.67 C ATOM 414 C HIS A 27 9.244 7.049 -8.074 1.00 0.68 C ATOM 415 O HIS A 27 8.421 7.364 -7.216 1.00 0.95 O ATOM 416 CB HIS A 27 8.290 4.899 -8.851 1.00 1.23 C ATOM 417 CG HIS A 27 8.315 4.526 -10.301 1.00 0.70 C ATOM 418 ND1 HIS A 27 8.121 5.425 -11.332 1.00 0.97 N ATOM 419 CD2 HIS A 27 8.505 3.325 -10.887 1.00 0.81 C ATOM 420 CE1 HIS A 27 8.195 4.786 -12.486 1.00 1.30 C ATOM 421 NE2 HIS A 27 8.427 3.514 -12.241 1.00 1.34 N ATOM 0 H HIS A 27 9.312 4.755 -6.445 1.00 0.56 H new ATOM 0 HA HIS A 27 10.346 5.514 -9.105 1.00 0.67 H new ATOM 0 HB2 HIS A 27 8.123 3.998 -8.260 1.00 1.23 H new ATOM 0 HB3 HIS A 27 7.441 5.559 -8.673 1.00 1.23 H new ATOM 0 HD2 HIS A 27 8.685 2.388 -10.381 1.00 0.81 H new ATOM 0 HE1 HIS A 27 8.084 5.232 -13.464 1.00 1.30 H new ATOM 0 HE2 HIS A 27 8.532 2.785 -12.947 1.00 1.34 H new ATOM 430 N SER A 28 9.898 7.933 -8.807 1.00 0.75 N ATOM 431 CA SER A 28 9.679 9.360 -8.660 1.00 1.14 C ATOM 432 C SER A 28 8.669 9.842 -9.688 1.00 1.03 C ATOM 433 O SER A 28 8.968 9.905 -10.881 1.00 1.34 O ATOM 434 CB SER A 28 11.003 10.105 -8.820 1.00 1.74 C ATOM 435 OG SER A 28 11.980 9.598 -7.926 1.00 2.30 O ATOM 0 H SER A 28 10.590 7.685 -9.514 1.00 0.75 H new ATOM 0 HA SER A 28 9.281 9.561 -7.665 1.00 1.14 H new ATOM 0 HB2 SER A 28 11.358 10.008 -9.846 1.00 1.74 H new ATOM 0 HB3 SER A 28 10.851 11.168 -8.634 1.00 1.74 H new ATOM 0 HG SER A 28 12.820 10.089 -8.047 1.00 2.30 H new ATOM 529 N GLN A 35 3.612 6.688 -3.960 1.00 0.74 N ATOM 530 CA GLN A 35 4.936 6.289 -4.412 1.00 0.59 C ATOM 531 C GLN A 35 4.930 4.817 -4.779 1.00 0.52 C ATOM 532 O GLN A 35 4.448 3.987 -4.017 1.00 0.58 O ATOM 533 CB GLN A 35 5.974 6.564 -3.324 1.00 0.58 C ATOM 534 CG GLN A 35 6.123 8.042 -3.003 1.00 0.82 C ATOM 535 CD GLN A 35 6.721 8.841 -4.145 1.00 0.75 C ATOM 536 OE1 GLN A 35 7.934 9.014 -4.227 1.00 1.50 O ATOM 537 NE2 GLN A 35 5.878 9.329 -5.041 1.00 0.78 N ATOM 0 HA GLN A 35 5.202 6.872 -5.294 1.00 0.59 H new ATOM 0 HB2 GLN A 35 5.692 6.028 -2.418 1.00 0.58 H new ATOM 0 HB3 GLN A 35 6.939 6.168 -3.642 1.00 0.58 H new ATOM 0 HG2 GLN A 35 5.145 8.454 -2.752 1.00 0.82 H new ATOM 0 HG3 GLN A 35 6.752 8.154 -2.120 1.00 0.82 H new ATOM 0 HE21 GLN A 35 4.876 9.165 -4.941 1.00 0.78 H new ATOM 0 HE22 GLN A 35 6.230 9.869 -5.832 1.00 0.78 H new ATOM 546 N PHE A 36 5.449 4.494 -5.947 1.00 0.47 N ATOM 547 CA PHE A 36 5.407 3.126 -6.432 1.00 0.43 C ATOM 548 C PHE A 36 6.764 2.457 -6.292 1.00 0.39 C ATOM 549 O PHE A 36 7.807 3.107 -6.381 1.00 0.45 O ATOM 550 CB PHE A 36 4.954 3.093 -7.892 1.00 0.48 C ATOM 551 CG PHE A 36 3.500 3.427 -8.080 1.00 0.58 C ATOM 552 CD1 PHE A 36 3.080 4.748 -8.086 1.00 0.70 C ATOM 553 CD2 PHE A 36 2.558 2.427 -8.249 1.00 0.68 C ATOM 554 CE1 PHE A 36 1.747 5.064 -8.259 1.00 0.83 C ATOM 555 CE2 PHE A 36 1.223 2.736 -8.422 1.00 0.81 C ATOM 556 CZ PHE A 36 0.811 4.035 -8.426 1.00 0.87 C ATOM 0 H PHE A 36 5.903 5.156 -6.576 1.00 0.47 H new ATOM 0 HA PHE A 36 4.689 2.575 -5.825 1.00 0.43 H new ATOM 0 HB2 PHE A 36 5.557 3.796 -8.466 1.00 0.48 H new ATOM 0 HB3 PHE A 36 5.146 2.101 -8.301 1.00 0.48 H new ATOM 0 HD1 PHE A 36 3.803 5.539 -7.954 1.00 0.70 H new ATOM 0 HD2 PHE A 36 2.871 1.393 -8.246 1.00 0.68 H new ATOM 0 HE1 PHE A 36 1.429 6.096 -8.266 1.00 0.83 H new ATOM 0 HE2 PHE A 36 0.501 1.944 -8.555 1.00 0.81 H new ATOM 0 HZ PHE A 36 -0.235 4.271 -8.558 1.00 0.87 H new ATOM 566 N ILE A 37 6.735 1.158 -6.050 1.00 0.36 N ATOM 567 CA ILE A 37 7.946 0.362 -5.990 1.00 0.33 C ATOM 568 C ILE A 37 8.415 0.059 -7.406 1.00 0.33 C ATOM 569 O ILE A 37 7.799 -0.733 -8.124 1.00 0.38 O ATOM 570 CB ILE A 37 7.713 -0.954 -5.214 1.00 0.34 C ATOM 571 CG1 ILE A 37 7.208 -0.647 -3.803 1.00 0.39 C ATOM 572 CG2 ILE A 37 8.988 -1.790 -5.153 1.00 0.33 C ATOM 573 CD1 ILE A 37 8.182 0.156 -2.965 1.00 0.38 C ATOM 0 H ILE A 37 5.877 0.629 -5.891 1.00 0.36 H new ATOM 0 HA ILE A 37 8.711 0.929 -5.460 1.00 0.33 H new ATOM 0 HB ILE A 37 6.958 -1.534 -5.744 1.00 0.34 H new ATOM 0 HG12 ILE A 37 6.268 -0.100 -3.875 1.00 0.39 H new ATOM 0 HG13 ILE A 37 6.992 -1.586 -3.292 1.00 0.39 H new ATOM 0 HG21 ILE A 37 8.794 -2.710 -4.601 1.00 0.33 H new ATOM 0 HG22 ILE A 37 9.311 -2.035 -6.165 1.00 0.33 H new ATOM 0 HG23 ILE A 37 9.771 -1.223 -4.649 1.00 0.33 H new ATOM 0 HD11 ILE A 37 7.753 0.334 -1.979 1.00 0.38 H new ATOM 0 HD12 ILE A 37 9.115 -0.398 -2.861 1.00 0.38 H new ATOM 0 HD13 ILE A 37 8.380 1.111 -3.452 1.00 0.38 H new ATOM 585 N ARG A 38 9.492 0.725 -7.803 1.00 0.34 N ATOM 586 CA ARG A 38 10.049 0.588 -9.143 1.00 0.41 C ATOM 587 C ARG A 38 10.507 -0.843 -9.375 1.00 0.40 C ATOM 588 O ARG A 38 10.122 -1.486 -10.352 1.00 0.49 O ATOM 589 CB ARG A 38 11.226 1.548 -9.312 1.00 0.50 C ATOM 590 CG ARG A 38 11.775 1.612 -10.725 1.00 0.67 C ATOM 591 CD ARG A 38 13.044 2.441 -10.773 1.00 1.24 C ATOM 592 NE ARG A 38 13.526 2.640 -12.137 1.00 1.56 N ATOM 593 CZ ARG A 38 14.703 2.201 -12.586 1.00 2.17 C ATOM 594 NH1 ARG A 38 15.498 1.486 -11.793 1.00 2.83 N ATOM 595 NH2 ARG A 38 15.082 2.468 -13.828 1.00 2.62 N ATOM 0 H ARG A 38 10.004 1.375 -7.206 1.00 0.34 H new ATOM 0 HA ARG A 38 9.280 0.833 -9.875 1.00 0.41 H new ATOM 0 HB2 ARG A 38 10.912 2.547 -9.010 1.00 0.50 H new ATOM 0 HB3 ARG A 38 12.026 1.247 -8.636 1.00 0.50 H new ATOM 0 HG2 ARG A 38 11.980 0.604 -11.086 1.00 0.67 H new ATOM 0 HG3 ARG A 38 11.028 2.044 -11.391 1.00 0.67 H new ATOM 0 HD2 ARG A 38 12.859 3.411 -10.310 1.00 1.24 H new ATOM 0 HD3 ARG A 38 13.819 1.949 -10.185 1.00 1.24 H new ATOM 0 HE ARG A 38 12.925 3.146 -12.787 1.00 1.56 H new ATOM 0 HH11 ARG A 38 15.208 1.272 -10.839 1.00 2.83 H new ATOM 0 HH12 ARG A 38 16.397 1.152 -12.140 1.00 2.83 H new ATOM 0 HH21 ARG A 38 14.473 3.010 -14.442 1.00 2.62 H new ATOM 0 HH22 ARG A 38 15.982 2.132 -14.170 1.00 2.62 H new ATOM 609 N SER A 39 11.333 -1.327 -8.463 1.00 0.36 N ATOM 610 CA SER A 39 11.847 -2.683 -8.512 1.00 0.40 C ATOM 611 C SER A 39 12.365 -3.063 -7.136 1.00 0.32 C ATOM 612 O SER A 39 12.871 -2.213 -6.410 1.00 0.37 O ATOM 613 CB SER A 39 12.982 -2.800 -9.539 1.00 0.54 C ATOM 614 OG SER A 39 12.561 -2.380 -10.827 1.00 1.26 O ATOM 0 H SER A 39 11.667 -0.787 -7.665 1.00 0.36 H new ATOM 0 HA SER A 39 11.044 -3.356 -8.812 1.00 0.40 H new ATOM 0 HB2 SER A 39 13.830 -2.195 -9.217 1.00 0.54 H new ATOM 0 HB3 SER A 39 13.327 -3.833 -9.586 1.00 0.54 H new ATOM 0 HG SER A 39 11.582 -2.389 -10.870 1.00 1.26 H new ATOM 620 N VAL A 40 12.214 -4.316 -6.763 1.00 0.36 N ATOM 621 CA VAL A 40 12.796 -4.795 -5.528 1.00 0.30 C ATOM 622 C VAL A 40 13.703 -5.977 -5.828 1.00 0.31 C ATOM 623 O VAL A 40 13.329 -6.883 -6.572 1.00 0.37 O ATOM 624 CB VAL A 40 11.716 -5.168 -4.484 1.00 0.33 C ATOM 625 CG1 VAL A 40 10.812 -6.284 -4.983 1.00 0.37 C ATOM 626 CG2 VAL A 40 12.356 -5.543 -3.158 1.00 0.32 C ATOM 0 H VAL A 40 11.697 -5.017 -7.293 1.00 0.36 H new ATOM 0 HA VAL A 40 13.385 -3.990 -5.088 1.00 0.30 H new ATOM 0 HB VAL A 40 11.092 -4.288 -4.329 1.00 0.33 H new ATOM 0 HG11 VAL A 40 10.067 -6.517 -4.222 1.00 0.37 H new ATOM 0 HG12 VAL A 40 10.310 -5.965 -5.896 1.00 0.37 H new ATOM 0 HG13 VAL A 40 11.410 -7.172 -5.189 1.00 0.37 H new ATOM 0 HG21 VAL A 40 11.579 -5.802 -2.439 1.00 0.32 H new ATOM 0 HG22 VAL A 40 13.016 -6.398 -3.302 1.00 0.32 H new ATOM 0 HG23 VAL A 40 12.933 -4.699 -2.781 1.00 0.32 H new ATOM 636 N ASP A 41 14.910 -5.939 -5.293 1.00 0.35 N ATOM 637 CA ASP A 41 15.897 -6.965 -5.588 1.00 0.45 C ATOM 638 C ASP A 41 15.611 -8.212 -4.762 1.00 0.48 C ATOM 639 O ASP A 41 15.613 -8.161 -3.536 1.00 0.51 O ATOM 640 CB ASP A 41 17.306 -6.444 -5.302 1.00 0.54 C ATOM 641 CG ASP A 41 18.359 -7.131 -6.146 1.00 1.27 C ATOM 642 OD1 ASP A 41 18.586 -6.709 -7.299 1.00 1.32 O ATOM 643 OD2 ASP A 41 18.961 -8.112 -5.659 1.00 2.28 O ATOM 0 H ASP A 41 15.231 -5.212 -4.654 1.00 0.35 H new ATOM 0 HA ASP A 41 15.835 -7.223 -6.645 1.00 0.45 H new ATOM 0 HB2 ASP A 41 17.338 -5.371 -5.489 1.00 0.54 H new ATOM 0 HB3 ASP A 41 17.537 -6.591 -4.247 1.00 0.54 H new ATOM 648 N PRO A 42 15.334 -9.341 -5.433 1.00 0.58 N ATOM 649 CA PRO A 42 14.966 -10.599 -4.769 1.00 0.69 C ATOM 650 C PRO A 42 16.006 -11.064 -3.755 1.00 0.69 C ATOM 651 O PRO A 42 17.214 -10.927 -3.980 1.00 1.17 O ATOM 652 CB PRO A 42 14.858 -11.599 -5.926 1.00 0.84 C ATOM 653 CG PRO A 42 14.602 -10.762 -7.129 1.00 0.93 C ATOM 654 CD PRO A 42 15.349 -9.480 -6.899 1.00 0.69 C ATOM 0 HA PRO A 42 14.048 -10.491 -4.192 1.00 0.69 H new ATOM 0 HB2 PRO A 42 15.775 -12.178 -6.035 1.00 0.84 H new ATOM 0 HB3 PRO A 42 14.049 -12.311 -5.760 1.00 0.84 H new ATOM 0 HG2 PRO A 42 14.949 -11.261 -8.034 1.00 0.93 H new ATOM 0 HG3 PRO A 42 13.536 -10.576 -7.257 1.00 0.93 H new ATOM 0 HD2 PRO A 42 16.366 -9.531 -7.288 1.00 0.69 H new ATOM 0 HD3 PRO A 42 14.862 -8.637 -7.389 1.00 0.69 H new ATOM 662 N ASP A 43 15.515 -11.618 -2.648 1.00 0.75 N ATOM 663 CA ASP A 43 16.356 -12.097 -1.549 1.00 0.87 C ATOM 664 C ASP A 43 17.042 -10.927 -0.843 1.00 0.70 C ATOM 665 O ASP A 43 18.253 -10.938 -0.608 1.00 0.86 O ATOM 666 CB ASP A 43 17.400 -13.105 -2.041 1.00 1.14 C ATOM 667 CG ASP A 43 17.806 -14.094 -0.966 1.00 1.69 C ATOM 668 OD1 ASP A 43 18.494 -13.698 -0.002 1.00 2.40 O ATOM 669 OD2 ASP A 43 17.443 -15.282 -1.088 1.00 1.92 O ATOM 0 H ASP A 43 14.516 -11.749 -2.486 1.00 0.75 H new ATOM 0 HA ASP A 43 15.706 -12.605 -0.836 1.00 0.87 H new ATOM 0 HB2 ASP A 43 17.000 -13.648 -2.897 1.00 1.14 H new ATOM 0 HB3 ASP A 43 18.283 -12.568 -2.388 1.00 1.14 H new ATOM 674 N SER A 44 16.257 -9.910 -0.527 1.00 0.57 N ATOM 675 CA SER A 44 16.739 -8.772 0.241 1.00 0.48 C ATOM 676 C SER A 44 15.808 -8.536 1.424 1.00 0.40 C ATOM 677 O SER A 44 14.696 -9.062 1.429 1.00 0.39 O ATOM 678 CB SER A 44 16.790 -7.520 -0.638 1.00 0.47 C ATOM 679 OG SER A 44 15.497 -7.191 -1.121 1.00 0.46 O ATOM 0 H SER A 44 15.274 -9.849 -0.793 1.00 0.57 H new ATOM 0 HA SER A 44 17.746 -8.983 0.602 1.00 0.48 H new ATOM 0 HB2 SER A 44 17.193 -6.684 -0.066 1.00 0.47 H new ATOM 0 HB3 SER A 44 17.465 -7.687 -1.477 1.00 0.47 H new ATOM 0 HG SER A 44 15.281 -7.759 -1.890 1.00 0.46 H new ATOM 685 N PRO A 45 16.220 -7.758 2.438 1.00 0.43 N ATOM 686 CA PRO A 45 15.347 -7.446 3.567 1.00 0.45 C ATOM 687 C PRO A 45 14.055 -6.779 3.102 1.00 0.38 C ATOM 688 O PRO A 45 12.988 -7.001 3.674 1.00 0.39 O ATOM 689 CB PRO A 45 16.178 -6.494 4.437 1.00 0.57 C ATOM 690 CG PRO A 45 17.301 -6.038 3.569 1.00 0.65 C ATOM 691 CD PRO A 45 17.543 -7.139 2.575 1.00 0.52 C ATOM 0 HA PRO A 45 15.037 -8.340 4.108 1.00 0.45 H new ATOM 0 HB2 PRO A 45 15.578 -5.650 4.778 1.00 0.57 H new ATOM 0 HB3 PRO A 45 16.551 -7.001 5.327 1.00 0.57 H new ATOM 0 HG2 PRO A 45 17.047 -5.107 3.063 1.00 0.65 H new ATOM 0 HG3 PRO A 45 18.196 -5.845 4.161 1.00 0.65 H new ATOM 0 HD2 PRO A 45 17.907 -6.751 1.624 1.00 0.52 H new ATOM 0 HD3 PRO A 45 18.286 -7.851 2.934 1.00 0.52 H new ATOM 699 N ALA A 46 14.159 -5.991 2.040 1.00 0.35 N ATOM 700 CA ALA A 46 13.002 -5.327 1.464 1.00 0.33 C ATOM 701 C ALA A 46 12.059 -6.341 0.832 1.00 0.30 C ATOM 702 O ALA A 46 10.873 -6.375 1.143 1.00 0.31 O ATOM 703 CB ALA A 46 13.438 -4.305 0.429 1.00 0.36 C ATOM 0 H ALA A 46 15.038 -5.797 1.560 1.00 0.35 H new ATOM 0 HA ALA A 46 12.471 -4.812 2.265 1.00 0.33 H new ATOM 0 HB1 ALA A 46 12.559 -3.817 0.007 1.00 0.36 H new ATOM 0 HB2 ALA A 46 14.076 -3.558 0.901 1.00 0.36 H new ATOM 0 HB3 ALA A 46 13.992 -4.805 -0.366 1.00 0.36 H new ATOM 709 N GLU A 47 12.593 -7.181 -0.037 1.00 0.31 N ATOM 710 CA GLU A 47 11.784 -8.178 -0.723 1.00 0.33 C ATOM 711 C GLU A 47 11.208 -9.177 0.283 1.00 0.34 C ATOM 712 O GLU A 47 10.030 -9.530 0.221 1.00 0.40 O ATOM 713 CB GLU A 47 12.636 -8.876 -1.791 1.00 0.40 C ATOM 714 CG GLU A 47 11.851 -9.719 -2.783 1.00 0.53 C ATOM 715 CD GLU A 47 11.768 -11.173 -2.383 1.00 1.12 C ATOM 716 OE1 GLU A 47 12.747 -11.910 -2.617 1.00 1.51 O ATOM 717 OE2 GLU A 47 10.725 -11.591 -1.842 1.00 2.01 O ATOM 0 H GLU A 47 13.582 -7.194 -0.285 1.00 0.31 H new ATOM 0 HA GLU A 47 10.943 -7.694 -1.218 1.00 0.33 H new ATOM 0 HB2 GLU A 47 13.195 -8.119 -2.341 1.00 0.40 H new ATOM 0 HB3 GLU A 47 13.367 -9.513 -1.293 1.00 0.40 H new ATOM 0 HG2 GLU A 47 10.843 -9.315 -2.877 1.00 0.53 H new ATOM 0 HG3 GLU A 47 12.318 -9.644 -3.765 1.00 0.53 H new ATOM 724 N ALA A 48 12.034 -9.580 1.245 1.00 0.34 N ATOM 725 CA ALA A 48 11.632 -10.559 2.253 1.00 0.38 C ATOM 726 C ALA A 48 10.599 -9.986 3.223 1.00 0.37 C ATOM 727 O ALA A 48 9.841 -10.732 3.845 1.00 0.47 O ATOM 728 CB ALA A 48 12.847 -11.057 3.015 1.00 0.44 C ATOM 0 H ALA A 48 12.991 -9.242 1.348 1.00 0.34 H new ATOM 0 HA ALA A 48 11.166 -11.395 1.732 1.00 0.38 H new ATOM 0 HB1 ALA A 48 12.534 -11.786 3.763 1.00 0.44 H new ATOM 0 HB2 ALA A 48 13.545 -11.526 2.321 1.00 0.44 H new ATOM 0 HB3 ALA A 48 13.336 -10.217 3.509 1.00 0.44 H new ATOM 734 N SER A 49 10.561 -8.663 3.342 1.00 0.31 N ATOM 735 CA SER A 49 9.622 -8.008 4.243 1.00 0.32 C ATOM 736 C SER A 49 8.205 -8.082 3.679 1.00 0.35 C ATOM 737 O SER A 49 7.228 -7.761 4.359 1.00 0.40 O ATOM 738 CB SER A 49 10.035 -6.549 4.469 1.00 0.32 C ATOM 739 OG SER A 49 9.747 -5.741 3.345 1.00 0.31 O ATOM 0 H SER A 49 11.168 -8.025 2.827 1.00 0.31 H new ATOM 0 HA SER A 49 9.638 -8.526 5.202 1.00 0.32 H new ATOM 0 HB2 SER A 49 9.515 -6.155 5.342 1.00 0.32 H new ATOM 0 HB3 SER A 49 11.102 -6.503 4.686 1.00 0.32 H new ATOM 0 HG SER A 49 9.941 -6.241 2.525 1.00 0.31 H new ATOM 745 N GLY A 50 8.108 -8.521 2.432 1.00 0.36 N ATOM 746 CA GLY A 50 6.822 -8.630 1.777 1.00 0.43 C ATOM 747 C GLY A 50 6.593 -7.502 0.801 1.00 0.43 C ATOM 748 O GLY A 50 5.461 -7.061 0.602 1.00 0.62 O ATOM 0 H GLY A 50 8.903 -8.805 1.860 1.00 0.36 H new ATOM 0 HA2 GLY A 50 6.761 -9.583 1.252 1.00 0.43 H new ATOM 0 HA3 GLY A 50 6.031 -8.628 2.527 1.00 0.43 H new ATOM 752 N LEU A 51 7.674 -7.019 0.206 1.00 0.41 N ATOM 753 CA LEU A 51 7.592 -5.948 -0.770 1.00 0.40 C ATOM 754 C LEU A 51 7.595 -6.525 -2.178 1.00 0.48 C ATOM 755 O LEU A 51 8.324 -7.477 -2.463 1.00 0.65 O ATOM 756 CB LEU A 51 8.764 -4.980 -0.597 1.00 0.38 C ATOM 757 CG LEU A 51 8.670 -3.689 -1.410 1.00 0.35 C ATOM 758 CD1 LEU A 51 7.470 -2.868 -0.965 1.00 0.38 C ATOM 759 CD2 LEU A 51 9.952 -2.881 -1.270 1.00 0.37 C ATOM 0 H LEU A 51 8.620 -7.355 0.385 1.00 0.41 H new ATOM 0 HA LEU A 51 6.662 -5.402 -0.612 1.00 0.40 H new ATOM 0 HB2 LEU A 51 8.847 -4.720 0.458 1.00 0.38 H new ATOM 0 HB3 LEU A 51 9.684 -5.496 -0.871 1.00 0.38 H new ATOM 0 HG LEU A 51 8.539 -3.948 -2.460 1.00 0.35 H new ATOM 0 HD11 LEU A 51 7.417 -1.952 -1.554 1.00 0.38 H new ATOM 0 HD12 LEU A 51 6.558 -3.447 -1.112 1.00 0.38 H new ATOM 0 HD13 LEU A 51 7.573 -2.616 0.090 1.00 0.38 H new ATOM 0 HD21 LEU A 51 9.870 -1.965 -1.854 1.00 0.37 H new ATOM 0 HD22 LEU A 51 10.111 -2.630 -0.221 1.00 0.37 H new ATOM 0 HD23 LEU A 51 10.794 -3.469 -1.634 1.00 0.37 H new ATOM 771 N ARG A 52 6.773 -5.957 -3.043 1.00 0.53 N ATOM 772 CA ARG A 52 6.694 -6.388 -4.430 1.00 0.65 C ATOM 773 C ARG A 52 6.768 -5.173 -5.345 1.00 0.55 C ATOM 774 O ARG A 52 6.334 -4.083 -4.975 1.00 0.61 O ATOM 775 CB ARG A 52 5.386 -7.150 -4.676 1.00 0.86 C ATOM 776 CG ARG A 52 5.310 -7.808 -6.047 1.00 1.23 C ATOM 777 CD ARG A 52 3.905 -8.295 -6.357 1.00 2.05 C ATOM 778 NE ARG A 52 2.947 -7.192 -6.416 1.00 2.59 N ATOM 779 CZ ARG A 52 1.676 -7.315 -6.784 1.00 3.57 C ATOM 780 NH1 ARG A 52 1.178 -8.496 -7.133 1.00 4.13 N ATOM 781 NH2 ARG A 52 0.898 -6.245 -6.789 1.00 4.38 N ATOM 0 H ARG A 52 6.145 -5.189 -2.807 1.00 0.53 H new ATOM 0 HA ARG A 52 7.530 -7.054 -4.644 1.00 0.65 H new ATOM 0 HB2 ARG A 52 5.272 -7.915 -3.908 1.00 0.86 H new ATOM 0 HB3 ARG A 52 4.548 -6.461 -4.566 1.00 0.86 H new ATOM 0 HG2 ARG A 52 5.626 -7.097 -6.810 1.00 1.23 H new ATOM 0 HG3 ARG A 52 6.004 -8.648 -6.087 1.00 1.23 H new ATOM 0 HD2 ARG A 52 3.906 -8.826 -7.309 1.00 2.05 H new ATOM 0 HD3 ARG A 52 3.591 -9.008 -5.595 1.00 2.05 H new ATOM 0 HE ARG A 52 3.278 -6.263 -6.156 1.00 2.59 H new ATOM 0 HH11 ARG A 52 1.773 -9.324 -7.121 1.00 4.13 H new ATOM 0 HH12 ARG A 52 0.200 -8.575 -7.413 1.00 4.13 H new ATOM 0 HH21 ARG A 52 1.275 -5.339 -6.512 1.00 4.38 H new ATOM 0 HH22 ARG A 52 -0.079 -6.326 -7.069 1.00 4.38 H new ATOM 795 N ALA A 53 7.337 -5.354 -6.526 1.00 0.53 N ATOM 796 CA ALA A 53 7.415 -4.280 -7.497 1.00 0.54 C ATOM 797 C ALA A 53 6.042 -4.025 -8.107 1.00 0.61 C ATOM 798 O ALA A 53 5.231 -4.947 -8.216 1.00 1.44 O ATOM 799 CB ALA A 53 8.435 -4.607 -8.578 1.00 0.68 C ATOM 0 H ALA A 53 7.751 -6.234 -6.833 1.00 0.53 H new ATOM 0 HA ALA A 53 7.742 -3.373 -6.989 1.00 0.54 H new ATOM 0 HB1 ALA A 53 8.478 -3.789 -9.297 1.00 0.68 H new ATOM 0 HB2 ALA A 53 9.416 -4.743 -8.123 1.00 0.68 H new ATOM 0 HB3 ALA A 53 8.142 -5.524 -9.089 1.00 0.68 H new ATOM 805 N GLN A 54 5.806 -2.768 -8.493 1.00 0.65 N ATOM 806 CA GLN A 54 4.522 -2.308 -9.037 1.00 0.74 C ATOM 807 C GLN A 54 3.496 -2.071 -7.927 1.00 0.59 C ATOM 808 O GLN A 54 2.334 -1.773 -8.204 1.00 0.67 O ATOM 809 CB GLN A 54 3.953 -3.272 -10.091 1.00 0.99 C ATOM 810 CG GLN A 54 4.803 -3.391 -11.347 1.00 1.46 C ATOM 811 CD GLN A 54 4.120 -4.208 -12.429 1.00 2.34 C ATOM 812 OE1 GLN A 54 2.891 -4.231 -12.522 1.00 2.99 O ATOM 813 NE2 GLN A 54 4.906 -4.879 -13.256 1.00 3.06 N ATOM 0 H GLN A 54 6.509 -2.031 -8.436 1.00 0.65 H new ATOM 0 HA GLN A 54 4.723 -1.359 -9.533 1.00 0.74 H new ATOM 0 HB2 GLN A 54 3.845 -4.260 -9.643 1.00 0.99 H new ATOM 0 HB3 GLN A 54 2.954 -2.938 -10.372 1.00 0.99 H new ATOM 0 HG2 GLN A 54 5.022 -2.395 -11.731 1.00 1.46 H new ATOM 0 HG3 GLN A 54 5.758 -3.852 -11.095 1.00 1.46 H new ATOM 0 HE21 GLN A 54 5.919 -4.834 -13.146 1.00 3.06 H new ATOM 0 HE22 GLN A 54 4.499 -5.441 -14.003 1.00 3.06 H new ATOM 822 N ASP A 55 3.931 -2.188 -6.676 1.00 0.47 N ATOM 823 CA ASP A 55 3.069 -1.893 -5.536 1.00 0.45 C ATOM 824 C ASP A 55 3.177 -0.419 -5.178 1.00 0.39 C ATOM 825 O ASP A 55 4.231 0.193 -5.366 1.00 0.48 O ATOM 826 CB ASP A 55 3.449 -2.741 -4.316 1.00 0.50 C ATOM 827 CG ASP A 55 3.016 -4.190 -4.431 1.00 0.67 C ATOM 828 OD1 ASP A 55 2.526 -4.587 -5.513 1.00 1.02 O ATOM 829 OD2 ASP A 55 3.163 -4.945 -3.449 1.00 1.01 O ATOM 0 H ASP A 55 4.874 -2.485 -6.426 1.00 0.47 H new ATOM 0 HA ASP A 55 2.044 -2.134 -5.817 1.00 0.45 H new ATOM 0 HB2 ASP A 55 4.530 -2.702 -4.178 1.00 0.50 H new ATOM 0 HB3 ASP A 55 2.998 -2.304 -3.425 1.00 0.50 H new ATOM 834 N ARG A 56 2.095 0.159 -4.680 1.00 0.38 N ATOM 835 CA ARG A 56 2.102 1.553 -4.275 1.00 0.42 C ATOM 836 C ARG A 56 2.168 1.687 -2.758 1.00 0.39 C ATOM 837 O ARG A 56 1.444 1.006 -2.034 1.00 0.39 O ATOM 838 CB ARG A 56 0.857 2.253 -4.805 1.00 0.56 C ATOM 839 CG ARG A 56 0.667 3.644 -4.244 1.00 0.78 C ATOM 840 CD ARG A 56 -0.638 4.237 -4.712 1.00 0.79 C ATOM 841 NE ARG A 56 -1.046 5.366 -3.892 1.00 0.89 N ATOM 842 CZ ARG A 56 -2.291 5.560 -3.480 1.00 0.91 C ATOM 843 NH1 ARG A 56 -3.219 4.646 -3.735 1.00 1.51 N ATOM 844 NH2 ARG A 56 -2.601 6.644 -2.782 1.00 1.57 N ATOM 0 H ARG A 56 1.202 -0.316 -4.547 1.00 0.38 H new ATOM 0 HA ARG A 56 2.991 2.024 -4.695 1.00 0.42 H new ATOM 0 HB2 ARG A 56 0.917 2.312 -5.892 1.00 0.56 H new ATOM 0 HB3 ARG A 56 -0.019 1.650 -4.567 1.00 0.56 H new ATOM 0 HG2 ARG A 56 0.685 3.607 -3.155 1.00 0.78 H new ATOM 0 HG3 ARG A 56 1.494 4.282 -4.555 1.00 0.78 H new ATOM 0 HD2 ARG A 56 -0.539 4.558 -5.749 1.00 0.79 H new ATOM 0 HD3 ARG A 56 -1.414 3.472 -4.688 1.00 0.79 H new ATOM 0 HE ARG A 56 -0.336 6.046 -3.619 1.00 0.89 H new ATOM 0 HH11 ARG A 56 -2.973 3.798 -4.246 1.00 1.51 H new ATOM 0 HH12 ARG A 56 -4.178 4.791 -3.420 1.00 1.51 H new ATOM 0 HH21 ARG A 56 -1.881 7.331 -2.561 1.00 1.57 H new ATOM 0 HH22 ARG A 56 -3.560 6.790 -2.466 1.00 1.57 H new ATOM 858 N ILE A 57 3.032 2.579 -2.295 1.00 0.40 N ATOM 859 CA ILE A 57 3.194 2.842 -0.873 1.00 0.38 C ATOM 860 C ILE A 57 2.161 3.859 -0.410 1.00 0.38 C ATOM 861 O ILE A 57 1.980 4.905 -1.041 1.00 0.49 O ATOM 862 CB ILE A 57 4.606 3.386 -0.559 1.00 0.46 C ATOM 863 CG1 ILE A 57 5.682 2.435 -1.091 1.00 0.53 C ATOM 864 CG2 ILE A 57 4.773 3.596 0.942 1.00 0.45 C ATOM 865 CD1 ILE A 57 7.095 2.943 -0.885 1.00 0.68 C ATOM 0 H ILE A 57 3.639 3.139 -2.893 1.00 0.40 H new ATOM 0 HA ILE A 57 3.055 1.899 -0.345 1.00 0.38 H new ATOM 0 HB ILE A 57 4.723 4.348 -1.058 1.00 0.46 H new ATOM 0 HG12 ILE A 57 5.577 1.468 -0.598 1.00 0.53 H new ATOM 0 HG13 ILE A 57 5.515 2.270 -2.156 1.00 0.53 H new ATOM 0 HG21 ILE A 57 5.773 3.979 1.147 1.00 0.45 H new ATOM 0 HG22 ILE A 57 4.031 4.312 1.294 1.00 0.45 H new ATOM 0 HG23 ILE A 57 4.635 2.647 1.460 1.00 0.45 H new ATOM 0 HD11 ILE A 57 7.804 2.219 -1.286 1.00 0.68 H new ATOM 0 HD12 ILE A 57 7.218 3.895 -1.401 1.00 0.68 H new ATOM 0 HD13 ILE A 57 7.280 3.081 0.180 1.00 0.68 H new ATOM 877 N VAL A 58 1.479 3.540 0.681 1.00 0.29 N ATOM 878 CA VAL A 58 0.463 4.422 1.236 1.00 0.32 C ATOM 879 C VAL A 58 0.918 5.003 2.572 1.00 0.30 C ATOM 880 O VAL A 58 0.741 6.191 2.836 1.00 0.37 O ATOM 881 CB VAL A 58 -0.877 3.684 1.428 1.00 0.37 C ATOM 882 CG1 VAL A 58 -1.957 4.645 1.903 1.00 0.87 C ATOM 883 CG2 VAL A 58 -1.296 2.994 0.138 1.00 0.62 C ATOM 0 H VAL A 58 1.612 2.673 1.201 1.00 0.29 H new ATOM 0 HA VAL A 58 0.317 5.233 0.523 1.00 0.32 H new ATOM 0 HB VAL A 58 -0.742 2.921 2.195 1.00 0.37 H new ATOM 0 HG11 VAL A 58 -2.894 4.104 2.032 1.00 0.87 H new ATOM 0 HG12 VAL A 58 -1.659 5.086 2.854 1.00 0.87 H new ATOM 0 HG13 VAL A 58 -2.093 5.434 1.164 1.00 0.87 H new ATOM 0 HG21 VAL A 58 -2.244 2.478 0.292 1.00 0.62 H new ATOM 0 HG22 VAL A 58 -1.412 3.737 -0.651 1.00 0.62 H new ATOM 0 HG23 VAL A 58 -0.533 2.272 -0.153 1.00 0.62 H new ATOM 893 N GLU A 59 1.511 4.164 3.413 1.00 0.24 N ATOM 894 CA GLU A 59 1.990 4.608 4.717 1.00 0.25 C ATOM 895 C GLU A 59 3.422 4.145 4.945 1.00 0.22 C ATOM 896 O GLU A 59 3.800 3.048 4.532 1.00 0.23 O ATOM 897 CB GLU A 59 1.103 4.080 5.851 1.00 0.29 C ATOM 898 CG GLU A 59 -0.348 4.522 5.766 1.00 0.40 C ATOM 899 CD GLU A 59 -1.108 4.269 7.054 1.00 0.44 C ATOM 900 OE1 GLU A 59 -1.364 3.089 7.372 1.00 0.43 O ATOM 901 OE2 GLU A 59 -1.466 5.244 7.752 1.00 0.89 O ATOM 0 H GLU A 59 1.671 3.176 3.217 1.00 0.24 H new ATOM 0 HA GLU A 59 1.951 5.697 4.723 1.00 0.25 H new ATOM 0 HB2 GLU A 59 1.140 2.991 5.848 1.00 0.29 H new ATOM 0 HB3 GLU A 59 1.516 4.410 6.804 1.00 0.29 H new ATOM 0 HG2 GLU A 59 -0.387 5.585 5.527 1.00 0.40 H new ATOM 0 HG3 GLU A 59 -0.838 3.993 4.949 1.00 0.40 H new ATOM 908 N VAL A 60 4.214 4.985 5.599 1.00 0.22 N ATOM 909 CA VAL A 60 5.590 4.638 5.939 1.00 0.21 C ATOM 910 C VAL A 60 5.792 4.744 7.446 1.00 0.22 C ATOM 911 O VAL A 60 5.587 5.804 8.029 1.00 0.27 O ATOM 912 CB VAL A 60 6.618 5.544 5.223 1.00 0.23 C ATOM 913 CG1 VAL A 60 8.038 5.077 5.511 1.00 0.54 C ATOM 914 CG2 VAL A 60 6.360 5.583 3.725 1.00 0.66 C ATOM 0 H VAL A 60 3.927 5.914 5.906 1.00 0.22 H new ATOM 0 HA VAL A 60 5.757 3.614 5.604 1.00 0.21 H new ATOM 0 HB VAL A 60 6.503 6.556 5.611 1.00 0.23 H new ATOM 0 HG11 VAL A 60 8.746 5.728 4.998 1.00 0.54 H new ATOM 0 HG12 VAL A 60 8.223 5.115 6.585 1.00 0.54 H new ATOM 0 HG13 VAL A 60 8.163 4.054 5.157 1.00 0.54 H new ATOM 0 HG21 VAL A 60 7.097 6.227 3.246 1.00 0.66 H new ATOM 0 HG22 VAL A 60 6.438 4.576 3.316 1.00 0.66 H new ATOM 0 HG23 VAL A 60 5.360 5.974 3.538 1.00 0.66 H new ATOM 924 N ASN A 61 6.164 3.626 8.064 1.00 0.25 N ATOM 925 CA ASN A 61 6.370 3.536 9.516 1.00 0.30 C ATOM 926 C ASN A 61 5.077 3.807 10.275 1.00 0.36 C ATOM 927 O ASN A 61 5.098 4.104 11.467 1.00 0.47 O ATOM 928 CB ASN A 61 7.451 4.513 10.003 1.00 0.39 C ATOM 929 CG ASN A 61 8.785 4.317 9.314 1.00 0.53 C ATOM 930 OD1 ASN A 61 9.112 3.221 8.858 1.00 1.17 O ATOM 931 ND2 ASN A 61 9.567 5.381 9.241 1.00 0.61 N ATOM 0 H ASN A 61 6.333 2.748 7.572 1.00 0.25 H new ATOM 0 HA ASN A 61 6.702 2.518 9.717 1.00 0.30 H new ATOM 0 HB2 ASN A 61 7.110 5.535 9.837 1.00 0.39 H new ATOM 0 HB3 ASN A 61 7.583 4.392 11.078 1.00 0.39 H new ATOM 0 HD21 ASN A 61 10.481 5.312 8.793 1.00 0.61 H new ATOM 0 HD22 ASN A 61 9.256 6.270 9.632 1.00 0.61 H new ATOM 938 N GLY A 62 3.954 3.700 9.580 1.00 0.37 N ATOM 939 CA GLY A 62 2.677 3.999 10.193 1.00 0.50 C ATOM 940 C GLY A 62 2.282 5.447 9.995 1.00 0.51 C ATOM 941 O GLY A 62 1.232 5.883 10.465 1.00 0.66 O ATOM 0 H GLY A 62 3.905 3.412 8.603 1.00 0.37 H new ATOM 0 HA2 GLY A 62 1.910 3.352 9.768 1.00 0.50 H new ATOM 0 HA3 GLY A 62 2.725 3.778 11.259 1.00 0.50 H new ATOM 945 N VAL A 63 3.139 6.192 9.312 1.00 0.42 N ATOM 946 CA VAL A 63 2.864 7.582 8.980 1.00 0.50 C ATOM 947 C VAL A 63 2.221 7.667 7.605 1.00 0.43 C ATOM 948 O VAL A 63 2.725 7.092 6.636 1.00 0.39 O ATOM 949 CB VAL A 63 4.149 8.438 9.000 1.00 0.61 C ATOM 950 CG1 VAL A 63 3.833 9.900 8.721 1.00 0.98 C ATOM 951 CG2 VAL A 63 4.874 8.288 10.329 1.00 1.17 C ATOM 0 H VAL A 63 4.039 5.852 8.974 1.00 0.42 H new ATOM 0 HA VAL A 63 2.183 7.975 9.735 1.00 0.50 H new ATOM 0 HB VAL A 63 4.807 8.078 8.209 1.00 0.61 H new ATOM 0 HG11 VAL A 63 4.755 10.482 8.741 1.00 0.98 H new ATOM 0 HG12 VAL A 63 3.367 9.991 7.740 1.00 0.98 H new ATOM 0 HG13 VAL A 63 3.150 10.276 9.483 1.00 0.98 H new ATOM 0 HG21 VAL A 63 5.776 8.899 10.322 1.00 1.17 H new ATOM 0 HG22 VAL A 63 4.221 8.614 11.139 1.00 1.17 H new ATOM 0 HG23 VAL A 63 5.145 7.243 10.480 1.00 1.17 H new ATOM 961 N CYS A 64 1.105 8.369 7.536 1.00 0.49 N ATOM 962 CA CYS A 64 0.330 8.477 6.314 1.00 0.49 C ATOM 963 C CYS A 64 1.086 9.249 5.228 1.00 0.47 C ATOM 964 O CYS A 64 1.563 10.364 5.452 1.00 0.51 O ATOM 965 CB CYS A 64 -1.004 9.144 6.639 1.00 0.59 C ATOM 966 SG CYS A 64 -0.864 10.758 7.438 1.00 1.68 S ATOM 0 H CYS A 64 0.710 8.880 8.325 1.00 0.49 H new ATOM 0 HA CYS A 64 0.153 7.478 5.915 1.00 0.49 H new ATOM 0 HB2 CYS A 64 -1.572 9.258 5.716 1.00 0.59 H new ATOM 0 HB3 CYS A 64 -1.578 8.481 7.287 1.00 0.59 H new ATOM 0 HG CYS A 64 0.223 11.348 7.037 1.00 1.68 H new ATOM 972 N MET A 65 1.212 8.640 4.053 1.00 0.48 N ATOM 973 CA MET A 65 1.912 9.253 2.927 1.00 0.53 C ATOM 974 C MET A 65 1.094 9.109 1.646 1.00 0.61 C ATOM 975 O MET A 65 1.642 8.883 0.567 1.00 0.81 O ATOM 976 CB MET A 65 3.291 8.609 2.735 1.00 0.61 C ATOM 977 CG MET A 65 4.256 8.862 3.881 1.00 0.63 C ATOM 978 SD MET A 65 4.661 10.606 4.082 1.00 0.61 S ATOM 979 CE MET A 65 5.709 10.533 5.528 1.00 0.74 C ATOM 0 H MET A 65 0.835 7.713 3.854 1.00 0.48 H new ATOM 0 HA MET A 65 2.044 10.313 3.146 1.00 0.53 H new ATOM 0 HB2 MET A 65 3.164 7.534 2.611 1.00 0.61 H new ATOM 0 HB3 MET A 65 3.732 8.987 1.812 1.00 0.61 H new ATOM 0 HG2 MET A 65 3.820 8.486 4.807 1.00 0.63 H new ATOM 0 HG3 MET A 65 5.173 8.298 3.709 1.00 0.63 H new ATOM 0 HE1 MET A 65 5.198 10.997 6.372 1.00 0.74 H new ATOM 0 HE2 MET A 65 5.930 9.492 5.765 1.00 0.74 H new ATOM 0 HE3 MET A 65 6.639 11.065 5.330 1.00 0.74 H new ATOM 989 N GLU A 66 -0.220 9.256 1.777 1.00 0.83 N ATOM 990 CA GLU A 66 -1.144 9.070 0.662 1.00 1.01 C ATOM 991 C GLU A 66 -0.860 10.062 -0.461 1.00 1.08 C ATOM 992 O GLU A 66 -0.699 9.672 -1.620 1.00 1.86 O ATOM 993 CB GLU A 66 -2.599 9.230 1.125 1.00 1.29 C ATOM 994 CG GLU A 66 -3.000 8.302 2.266 1.00 2.19 C ATOM 995 CD GLU A 66 -2.635 8.843 3.639 1.00 3.03 C ATOM 996 OE1 GLU A 66 -1.881 9.839 3.715 1.00 3.33 O ATOM 997 OE2 GLU A 66 -3.103 8.275 4.649 1.00 3.75 O ATOM 0 H GLU A 66 -0.674 9.506 2.655 1.00 0.83 H new ATOM 0 HA GLU A 66 -0.996 8.058 0.285 1.00 1.01 H new ATOM 0 HB2 GLU A 66 -2.757 10.262 1.439 1.00 1.29 H new ATOM 0 HB3 GLU A 66 -3.260 9.050 0.277 1.00 1.29 H new ATOM 0 HG2 GLU A 66 -4.076 8.131 2.225 1.00 2.19 H new ATOM 0 HG3 GLU A 66 -2.518 7.335 2.125 1.00 2.19 H new ATOM 1004 N GLY A 67 -0.810 11.341 -0.112 1.00 1.21 N ATOM 1005 CA GLY A 67 -0.581 12.369 -1.105 1.00 1.36 C ATOM 1006 C GLY A 67 0.509 13.334 -0.697 1.00 1.24 C ATOM 1007 O GLY A 67 0.442 14.526 -0.996 1.00 1.47 O ATOM 0 H GLY A 67 -0.924 11.684 0.842 1.00 1.21 H new ATOM 0 HA2 GLY A 67 -0.312 11.901 -2.052 1.00 1.36 H new ATOM 0 HA3 GLY A 67 -1.506 12.920 -1.273 1.00 1.36 H new ATOM 1011 N LYS A 68 1.514 12.818 -0.008 1.00 0.97 N ATOM 1012 CA LYS A 68 2.637 13.635 0.425 1.00 0.87 C ATOM 1013 C LYS A 68 3.617 13.854 -0.725 1.00 0.90 C ATOM 1014 O LYS A 68 3.362 13.439 -1.858 1.00 1.06 O ATOM 1015 CB LYS A 68 3.347 12.971 1.605 1.00 0.73 C ATOM 1016 CG LYS A 68 2.438 12.728 2.798 1.00 1.24 C ATOM 1017 CD LYS A 68 1.914 14.030 3.377 1.00 2.01 C ATOM 1018 CE LYS A 68 0.940 13.779 4.515 1.00 2.81 C ATOM 1019 NZ LYS A 68 1.566 13.026 5.636 1.00 3.36 N ATOM 0 H LYS A 68 1.575 11.837 0.264 1.00 0.97 H new ATOM 0 HA LYS A 68 2.256 14.606 0.743 1.00 0.87 H new ATOM 0 HB2 LYS A 68 3.767 12.020 1.278 1.00 0.73 H new ATOM 0 HB3 LYS A 68 4.182 13.598 1.916 1.00 0.73 H new ATOM 0 HG2 LYS A 68 1.600 12.101 2.495 1.00 1.24 H new ATOM 0 HG3 LYS A 68 2.984 12.181 3.567 1.00 1.24 H new ATOM 0 HD2 LYS A 68 2.749 14.632 3.737 1.00 2.01 H new ATOM 0 HD3 LYS A 68 1.420 14.605 2.594 1.00 2.01 H new ATOM 0 HE2 LYS A 68 0.564 14.732 4.886 1.00 2.81 H new ATOM 0 HE3 LYS A 68 0.082 13.222 4.140 1.00 2.81 H new ATOM 0 HZ1 LYS A 68 0.972 13.110 6.485 1.00 3.36 H new ATOM 0 HZ2 LYS A 68 1.656 12.024 5.374 1.00 3.36 H new ATOM 0 HZ3 LYS A 68 2.509 13.418 5.833 1.00 3.36 H new ATOM 1033 N GLN A 69 4.735 14.506 -0.434 1.00 0.87 N ATOM 1034 CA GLN A 69 5.746 14.770 -1.447 1.00 0.93 C ATOM 1035 C GLN A 69 6.687 13.579 -1.591 1.00 0.81 C ATOM 1036 O GLN A 69 6.758 12.729 -0.700 1.00 0.74 O ATOM 1037 CB GLN A 69 6.549 16.028 -1.093 1.00 1.07 C ATOM 1038 CG GLN A 69 5.709 17.294 -1.020 1.00 1.33 C ATOM 1039 CD GLN A 69 5.197 17.727 -2.377 1.00 2.12 C ATOM 1040 OE1 GLN A 69 5.838 17.487 -3.399 1.00 2.64 O ATOM 1041 NE2 GLN A 69 4.042 18.373 -2.403 1.00 2.89 N ATOM 0 H GLN A 69 4.964 14.861 0.494 1.00 0.87 H new ATOM 0 HA GLN A 69 5.237 14.933 -2.397 1.00 0.93 H new ATOM 0 HB2 GLN A 69 7.042 15.875 -0.133 1.00 1.07 H new ATOM 0 HB3 GLN A 69 7.334 16.167 -1.836 1.00 1.07 H new ATOM 0 HG2 GLN A 69 4.864 17.128 -0.352 1.00 1.33 H new ATOM 0 HG3 GLN A 69 6.305 18.097 -0.586 1.00 1.33 H new ATOM 0 HE21 GLN A 69 3.539 18.554 -1.534 1.00 2.89 H new ATOM 0 HE22 GLN A 69 3.655 18.690 -3.292 1.00 2.89 H new ATOM 1050 N HIS A 70 7.401 13.510 -2.708 1.00 0.84 N ATOM 1051 CA HIS A 70 8.406 12.470 -2.904 1.00 0.79 C ATOM 1052 C HIS A 70 9.417 12.505 -1.763 1.00 0.70 C ATOM 1053 O HIS A 70 9.791 11.466 -1.214 1.00 0.65 O ATOM 1054 CB HIS A 70 9.106 12.658 -4.260 1.00 0.88 C ATOM 1055 CG HIS A 70 10.272 11.736 -4.503 1.00 0.90 C ATOM 1056 ND1 HIS A 70 10.144 10.371 -4.619 1.00 1.42 N ATOM 1057 CD2 HIS A 70 11.589 12.001 -4.666 1.00 1.37 C ATOM 1058 CE1 HIS A 70 11.329 9.836 -4.845 1.00 1.31 C ATOM 1059 NE2 HIS A 70 12.225 10.803 -4.878 1.00 1.13 N ATOM 0 H HIS A 70 7.304 14.158 -3.489 1.00 0.84 H new ATOM 0 HA HIS A 70 7.918 11.495 -2.905 1.00 0.79 H new ATOM 0 HB2 HIS A 70 8.374 12.512 -5.054 1.00 0.88 H new ATOM 0 HB3 HIS A 70 9.454 13.688 -4.333 1.00 0.88 H new ATOM 0 HD1 HIS A 70 9.269 9.853 -4.542 1.00 1.42 H new ATOM 0 HD2 HIS A 70 12.054 12.975 -4.635 1.00 1.37 H new ATOM 0 HE1 HIS A 70 11.531 8.784 -4.980 1.00 1.31 H new ATOM 1068 N GLY A 71 9.823 13.718 -1.394 1.00 0.72 N ATOM 1069 CA GLY A 71 10.769 13.902 -0.313 1.00 0.69 C ATOM 1070 C GLY A 71 10.275 13.346 1.009 1.00 0.62 C ATOM 1071 O GLY A 71 11.050 12.758 1.759 1.00 0.62 O ATOM 0 H GLY A 71 9.508 14.584 -1.832 1.00 0.72 H new ATOM 0 HA2 GLY A 71 11.710 13.418 -0.575 1.00 0.69 H new ATOM 0 HA3 GLY A 71 10.978 14.966 -0.198 1.00 0.69 H new ATOM 1075 N ASP A 72 8.983 13.515 1.291 1.00 0.61 N ATOM 1076 CA ASP A 72 8.415 13.072 2.566 1.00 0.58 C ATOM 1077 C ASP A 72 8.494 11.560 2.712 1.00 0.49 C ATOM 1078 O ASP A 72 8.937 11.051 3.740 1.00 0.44 O ATOM 1079 CB ASP A 72 6.950 13.503 2.708 1.00 0.68 C ATOM 1080 CG ASP A 72 6.782 14.992 2.906 1.00 1.16 C ATOM 1081 OD1 ASP A 72 7.218 15.506 3.953 1.00 1.47 O ATOM 1082 OD2 ASP A 72 6.232 15.660 1.999 1.00 2.03 O ATOM 0 H ASP A 72 8.313 13.953 0.659 1.00 0.61 H new ATOM 0 HA ASP A 72 9.007 13.544 3.350 1.00 0.58 H new ATOM 0 HB2 ASP A 72 6.401 13.198 1.818 1.00 0.68 H new ATOM 0 HB3 ASP A 72 6.504 12.978 3.553 1.00 0.68 H new ATOM 1087 N VAL A 73 8.087 10.847 1.672 1.00 0.50 N ATOM 1088 CA VAL A 73 8.062 9.392 1.711 1.00 0.45 C ATOM 1089 C VAL A 73 9.474 8.831 1.850 1.00 0.44 C ATOM 1090 O VAL A 73 9.719 7.919 2.641 1.00 0.43 O ATOM 1091 CB VAL A 73 7.389 8.809 0.453 1.00 0.51 C ATOM 1092 CG1 VAL A 73 7.309 7.291 0.533 1.00 1.08 C ATOM 1093 CG2 VAL A 73 6.003 9.407 0.266 1.00 0.97 C ATOM 0 H VAL A 73 7.770 11.252 0.791 1.00 0.50 H new ATOM 0 HA VAL A 73 7.476 9.098 2.582 1.00 0.45 H new ATOM 0 HB VAL A 73 8.000 9.071 -0.411 1.00 0.51 H new ATOM 0 HG11 VAL A 73 6.830 6.904 -0.366 1.00 1.08 H new ATOM 0 HG12 VAL A 73 8.314 6.878 0.616 1.00 1.08 H new ATOM 0 HG13 VAL A 73 6.725 7.003 1.407 1.00 1.08 H new ATOM 0 HG21 VAL A 73 5.542 8.985 -0.627 1.00 0.97 H new ATOM 0 HG22 VAL A 73 5.387 9.177 1.136 1.00 0.97 H new ATOM 0 HG23 VAL A 73 6.085 10.488 0.155 1.00 0.97 H new ATOM 1103 N VAL A 74 10.406 9.395 1.094 1.00 0.49 N ATOM 1104 CA VAL A 74 11.796 8.969 1.158 1.00 0.53 C ATOM 1105 C VAL A 74 12.391 9.297 2.525 1.00 0.51 C ATOM 1106 O VAL A 74 13.104 8.482 3.116 1.00 0.52 O ATOM 1107 CB VAL A 74 12.639 9.628 0.046 1.00 0.64 C ATOM 1108 CG1 VAL A 74 14.098 9.210 0.145 1.00 0.72 C ATOM 1109 CG2 VAL A 74 12.074 9.280 -1.324 1.00 0.70 C ATOM 0 H VAL A 74 10.224 10.148 0.430 1.00 0.49 H new ATOM 0 HA VAL A 74 11.818 7.890 1.007 1.00 0.53 H new ATOM 0 HB VAL A 74 12.590 10.709 0.179 1.00 0.64 H new ATOM 0 HG11 VAL A 74 14.669 9.689 -0.651 1.00 0.72 H new ATOM 0 HG12 VAL A 74 14.499 9.514 1.112 1.00 0.72 H new ATOM 0 HG13 VAL A 74 14.174 8.127 0.044 1.00 0.72 H new ATOM 0 HG21 VAL A 74 12.679 9.752 -2.098 1.00 0.70 H new ATOM 0 HG22 VAL A 74 12.090 8.199 -1.460 1.00 0.70 H new ATOM 0 HG23 VAL A 74 11.048 9.640 -1.396 1.00 0.70 H new ATOM 1119 N SER A 75 12.073 10.484 3.031 1.00 0.51 N ATOM 1120 CA SER A 75 12.565 10.922 4.329 1.00 0.52 C ATOM 1121 C SER A 75 12.060 9.999 5.430 1.00 0.47 C ATOM 1122 O SER A 75 12.828 9.589 6.294 1.00 0.51 O ATOM 1123 CB SER A 75 12.129 12.364 4.614 1.00 0.58 C ATOM 1124 OG SER A 75 12.723 12.862 5.804 1.00 0.66 O ATOM 0 H SER A 75 11.474 11.161 2.558 1.00 0.51 H new ATOM 0 HA SER A 75 13.654 10.884 4.309 1.00 0.52 H new ATOM 0 HB2 SER A 75 12.405 13.001 3.774 1.00 0.58 H new ATOM 0 HB3 SER A 75 11.043 12.406 4.703 1.00 0.58 H new ATOM 0 HG SER A 75 12.426 13.783 5.957 1.00 0.66 H new ATOM 1130 N ALA A 76 10.774 9.662 5.380 1.00 0.42 N ATOM 1131 CA ALA A 76 10.165 8.784 6.376 1.00 0.39 C ATOM 1132 C ALA A 76 10.883 7.440 6.444 1.00 0.37 C ATOM 1133 O ALA A 76 11.100 6.896 7.524 1.00 0.39 O ATOM 1134 CB ALA A 76 8.693 8.581 6.067 1.00 0.39 C ATOM 0 H ALA A 76 10.131 9.985 4.657 1.00 0.42 H new ATOM 0 HA ALA A 76 10.260 9.263 7.350 1.00 0.39 H new ATOM 0 HB1 ALA A 76 8.251 7.925 6.817 1.00 0.39 H new ATOM 0 HB2 ALA A 76 8.182 9.544 6.081 1.00 0.39 H new ATOM 0 HB3 ALA A 76 8.587 8.128 5.081 1.00 0.39 H new ATOM 1140 N ILE A 77 11.271 6.924 5.284 1.00 0.37 N ATOM 1141 CA ILE A 77 12.027 5.681 5.208 1.00 0.39 C ATOM 1142 C ILE A 77 13.321 5.785 6.014 1.00 0.41 C ATOM 1143 O ILE A 77 13.666 4.891 6.787 1.00 0.44 O ATOM 1144 CB ILE A 77 12.366 5.358 3.739 1.00 0.45 C ATOM 1145 CG1 ILE A 77 11.114 4.885 3.001 1.00 0.53 C ATOM 1146 CG2 ILE A 77 13.483 4.327 3.645 1.00 0.50 C ATOM 1147 CD1 ILE A 77 11.268 4.869 1.499 1.00 0.69 C ATOM 0 H ILE A 77 11.073 7.350 4.379 1.00 0.37 H new ATOM 0 HA ILE A 77 11.413 4.883 5.626 1.00 0.39 H new ATOM 0 HB ILE A 77 12.724 6.269 3.260 1.00 0.45 H new ATOM 0 HG12 ILE A 77 10.858 3.882 3.342 1.00 0.53 H new ATOM 0 HG13 ILE A 77 10.279 5.534 3.265 1.00 0.53 H new ATOM 0 HG21 ILE A 77 13.700 4.120 2.597 1.00 0.50 H new ATOM 0 HG22 ILE A 77 14.378 4.715 4.131 1.00 0.50 H new ATOM 0 HG23 ILE A 77 13.172 3.407 4.140 1.00 0.50 H new ATOM 0 HD11 ILE A 77 10.341 4.523 1.042 1.00 0.69 H new ATOM 0 HD12 ILE A 77 11.493 5.875 1.146 1.00 0.69 H new ATOM 0 HD13 ILE A 77 12.081 4.197 1.224 1.00 0.69 H new ATOM 1159 N ARG A 78 14.018 6.893 5.838 1.00 0.43 N ATOM 1160 CA ARG A 78 15.272 7.125 6.537 1.00 0.50 C ATOM 1161 C ARG A 78 15.024 7.487 7.999 1.00 0.50 C ATOM 1162 O ARG A 78 15.818 7.145 8.877 1.00 0.56 O ATOM 1163 CB ARG A 78 16.073 8.228 5.843 1.00 0.58 C ATOM 1164 CG ARG A 78 16.835 7.764 4.605 1.00 0.66 C ATOM 1165 CD ARG A 78 15.923 7.382 3.452 1.00 0.89 C ATOM 1166 NE ARG A 78 16.678 7.196 2.210 1.00 1.59 N ATOM 1167 CZ ARG A 78 16.319 6.377 1.224 1.00 2.11 C ATOM 1168 NH1 ARG A 78 15.179 5.704 1.294 1.00 2.12 N ATOM 1169 NH2 ARG A 78 17.099 6.240 0.159 1.00 3.09 N ATOM 0 H ARG A 78 13.737 7.650 5.215 1.00 0.43 H new ATOM 0 HA ARG A 78 15.851 6.202 6.510 1.00 0.50 H new ATOM 0 HB2 ARG A 78 15.393 9.030 5.558 1.00 0.58 H new ATOM 0 HB3 ARG A 78 16.782 8.650 6.555 1.00 0.58 H new ATOM 0 HG2 ARG A 78 17.507 8.558 4.281 1.00 0.66 H new ATOM 0 HG3 ARG A 78 17.456 6.908 4.868 1.00 0.66 H new ATOM 0 HD2 ARG A 78 15.391 6.463 3.697 1.00 0.89 H new ATOM 0 HD3 ARG A 78 15.171 8.158 3.309 1.00 0.89 H new ATOM 0 HE ARG A 78 17.538 7.731 2.093 1.00 1.59 H new ATOM 0 HH11 ARG A 78 14.572 5.812 2.106 1.00 2.12 H new ATOM 0 HH12 ARG A 78 14.909 5.078 0.535 1.00 2.12 H new ATOM 0 HH21 ARG A 78 17.973 6.762 0.096 1.00 3.09 H new ATOM 0 HH22 ARG A 78 16.824 5.613 -0.597 1.00 3.09 H new ATOM 1183 N ALA A 79 13.903 8.157 8.248 1.00 0.47 N ATOM 1184 CA ALA A 79 13.534 8.611 9.587 1.00 0.51 C ATOM 1185 C ALA A 79 13.220 7.445 10.515 1.00 0.43 C ATOM 1186 O ALA A 79 13.150 7.615 11.733 1.00 0.46 O ATOM 1187 CB ALA A 79 12.343 9.554 9.507 1.00 0.65 C ATOM 0 H ALA A 79 13.224 8.401 7.527 1.00 0.47 H new ATOM 0 HA ALA A 79 14.390 9.141 10.005 1.00 0.51 H new ATOM 0 HB1 ALA A 79 12.075 9.887 10.510 1.00 0.65 H new ATOM 0 HB2 ALA A 79 12.603 10.418 8.895 1.00 0.65 H new ATOM 0 HB3 ALA A 79 11.496 9.034 9.059 1.00 0.65 H new ATOM 1193 N GLY A 80 13.025 6.265 9.938 1.00 0.41 N ATOM 1194 CA GLY A 80 12.805 5.074 10.737 1.00 0.42 C ATOM 1195 C GLY A 80 14.057 4.657 11.487 1.00 0.46 C ATOM 1196 O GLY A 80 14.003 3.838 12.404 1.00 0.60 O ATOM 0 H GLY A 80 13.015 6.112 8.930 1.00 0.41 H new ATOM 0 HA2 GLY A 80 12.000 5.258 11.448 1.00 0.42 H new ATOM 0 HA3 GLY A 80 12.480 4.258 10.091 1.00 0.42 H new ATOM 1200 N GLY A 81 15.189 5.230 11.098 1.00 0.49 N ATOM 1201 CA GLY A 81 16.440 4.918 11.750 1.00 0.63 C ATOM 1202 C GLY A 81 17.205 3.840 11.019 1.00 0.64 C ATOM 1203 O GLY A 81 17.866 4.114 10.013 1.00 1.10 O ATOM 0 H GLY A 81 15.260 5.908 10.339 1.00 0.49 H new ATOM 0 HA2 GLY A 81 17.051 5.818 11.811 1.00 0.63 H new ATOM 0 HA3 GLY A 81 16.245 4.595 12.773 1.00 0.63 H new ATOM 1207 N ASP A 82 17.114 2.614 11.512 1.00 0.43 N ATOM 1208 CA ASP A 82 17.790 1.493 10.872 1.00 0.44 C ATOM 1209 C ASP A 82 16.792 0.630 10.115 1.00 0.39 C ATOM 1210 O ASP A 82 17.158 -0.099 9.201 1.00 0.55 O ATOM 1211 CB ASP A 82 18.529 0.640 11.903 1.00 0.55 C ATOM 1212 CG ASP A 82 19.577 -0.258 11.278 1.00 1.41 C ATOM 1213 OD1 ASP A 82 19.241 -1.388 10.870 1.00 2.12 O ATOM 1214 OD2 ASP A 82 20.755 0.162 11.209 1.00 1.97 O ATOM 0 H ASP A 82 16.583 2.370 12.348 1.00 0.43 H new ATOM 0 HA ASP A 82 18.517 1.899 10.169 1.00 0.44 H new ATOM 0 HB2 ASP A 82 19.006 1.293 12.634 1.00 0.55 H new ATOM 0 HB3 ASP A 82 17.808 0.027 12.445 1.00 0.55 H new ATOM 1219 N GLU A 83 15.527 0.722 10.487 1.00 0.38 N ATOM 1220 CA GLU A 83 14.495 -0.066 9.839 1.00 0.39 C ATOM 1221 C GLU A 83 13.309 0.808 9.475 1.00 0.38 C ATOM 1222 O GLU A 83 13.162 1.917 9.987 1.00 0.53 O ATOM 1223 CB GLU A 83 14.071 -1.243 10.729 1.00 0.47 C ATOM 1224 CG GLU A 83 13.516 -0.856 12.090 1.00 0.86 C ATOM 1225 CD GLU A 83 11.999 -0.768 12.111 1.00 1.62 C ATOM 1226 OE1 GLU A 83 11.335 -1.746 11.698 1.00 2.11 O ATOM 1227 OE2 GLU A 83 11.466 0.259 12.577 1.00 2.00 O ATOM 0 H GLU A 83 15.191 1.333 11.232 1.00 0.38 H new ATOM 0 HA GLU A 83 14.902 -0.479 8.916 1.00 0.39 H new ATOM 0 HB2 GLU A 83 13.318 -1.826 10.199 1.00 0.47 H new ATOM 0 HB3 GLU A 83 14.932 -1.895 10.877 1.00 0.47 H new ATOM 0 HG2 GLU A 83 13.842 -1.587 12.830 1.00 0.86 H new ATOM 0 HG3 GLU A 83 13.934 0.106 12.386 1.00 0.86 H new ATOM 1234 N THR A 84 12.480 0.312 8.579 1.00 0.27 N ATOM 1235 CA THR A 84 11.333 1.057 8.110 1.00 0.26 C ATOM 1236 C THR A 84 10.198 0.106 7.750 1.00 0.22 C ATOM 1237 O THR A 84 10.432 -1.038 7.348 1.00 0.21 O ATOM 1238 CB THR A 84 11.700 1.942 6.892 1.00 0.30 C ATOM 1239 OG1 THR A 84 10.588 2.761 6.510 1.00 0.32 O ATOM 1240 CG2 THR A 84 12.141 1.092 5.705 1.00 0.30 C ATOM 0 H THR A 84 12.582 -0.612 8.159 1.00 0.27 H new ATOM 0 HA THR A 84 11.004 1.713 8.916 1.00 0.26 H new ATOM 0 HB THR A 84 12.531 2.582 7.189 1.00 0.30 H new ATOM 0 HG1 THR A 84 10.036 2.951 7.297 1.00 0.32 H new ATOM 0 HG21 THR A 84 12.392 1.741 4.866 1.00 0.30 H new ATOM 0 HG22 THR A 84 13.016 0.504 5.983 1.00 0.30 H new ATOM 0 HG23 THR A 84 11.331 0.422 5.416 1.00 0.30 H new ATOM 1248 N LYS A 85 8.970 0.566 7.932 1.00 0.24 N ATOM 1249 CA LYS A 85 7.803 -0.226 7.590 1.00 0.23 C ATOM 1250 C LYS A 85 7.067 0.412 6.426 1.00 0.23 C ATOM 1251 O LYS A 85 6.587 1.538 6.530 1.00 0.26 O ATOM 1252 CB LYS A 85 6.857 -0.346 8.783 1.00 0.28 C ATOM 1253 CG LYS A 85 7.536 -0.801 10.062 1.00 0.37 C ATOM 1254 CD LYS A 85 6.526 -0.999 11.175 1.00 0.50 C ATOM 1255 CE LYS A 85 7.188 -1.008 12.541 1.00 0.78 C ATOM 1256 NZ LYS A 85 8.269 -2.024 12.650 1.00 1.63 N ATOM 0 H LYS A 85 8.757 1.487 8.316 1.00 0.24 H new ATOM 0 HA LYS A 85 8.140 -1.224 7.309 1.00 0.23 H new ATOM 0 HB2 LYS A 85 6.384 0.620 8.958 1.00 0.28 H new ATOM 0 HB3 LYS A 85 6.062 -1.049 8.535 1.00 0.28 H new ATOM 0 HG2 LYS A 85 8.071 -1.734 9.882 1.00 0.37 H new ATOM 0 HG3 LYS A 85 8.277 -0.062 10.367 1.00 0.37 H new ATOM 0 HD2 LYS A 85 5.782 -0.203 11.137 1.00 0.50 H new ATOM 0 HD3 LYS A 85 5.996 -1.939 11.022 1.00 0.50 H new ATOM 0 HE2 LYS A 85 7.602 -0.021 12.746 1.00 0.78 H new ATOM 0 HE3 LYS A 85 6.434 -1.203 13.304 1.00 0.78 H new ATOM 0 HZ1 LYS A 85 8.429 -2.254 13.651 1.00 1.63 H new ATOM 0 HZ2 LYS A 85 7.990 -2.885 12.137 1.00 1.63 H new ATOM 0 HZ3 LYS A 85 9.145 -1.644 12.238 1.00 1.63 H new ATOM 1270 N LEU A 86 6.971 -0.301 5.327 1.00 0.22 N ATOM 1271 CA LEU A 86 6.291 0.212 4.153 1.00 0.22 C ATOM 1272 C LEU A 86 4.945 -0.470 3.994 1.00 0.22 C ATOM 1273 O LEU A 86 4.852 -1.693 4.003 1.00 0.27 O ATOM 1274 CB LEU A 86 7.139 -0.010 2.897 1.00 0.24 C ATOM 1275 CG LEU A 86 8.494 0.700 2.887 1.00 0.25 C ATOM 1276 CD1 LEU A 86 9.249 0.387 1.605 1.00 0.28 C ATOM 1277 CD2 LEU A 86 8.311 2.202 3.042 1.00 0.28 C ATOM 0 H LEU A 86 7.355 -1.240 5.219 1.00 0.22 H new ATOM 0 HA LEU A 86 6.138 1.283 4.283 1.00 0.22 H new ATOM 0 HB2 LEU A 86 7.308 -1.080 2.777 1.00 0.24 H new ATOM 0 HB3 LEU A 86 6.568 0.322 2.030 1.00 0.24 H new ATOM 0 HG LEU A 86 9.079 0.335 3.731 1.00 0.25 H new ATOM 0 HD11 LEU A 86 10.211 0.900 1.615 1.00 0.28 H new ATOM 0 HD12 LEU A 86 9.412 -0.688 1.532 1.00 0.28 H new ATOM 0 HD13 LEU A 86 8.666 0.724 0.748 1.00 0.28 H new ATOM 0 HD21 LEU A 86 9.286 2.690 3.033 1.00 0.28 H new ATOM 0 HD22 LEU A 86 7.707 2.582 2.218 1.00 0.28 H new ATOM 0 HD23 LEU A 86 7.809 2.412 3.987 1.00 0.28 H new ATOM 1289 N LEU A 87 3.904 0.323 3.861 1.00 0.20 N ATOM 1290 CA LEU A 87 2.579 -0.213 3.634 1.00 0.21 C ATOM 1291 C LEU A 87 2.220 -0.031 2.177 1.00 0.21 C ATOM 1292 O LEU A 87 2.147 1.094 1.682 1.00 0.26 O ATOM 1293 CB LEU A 87 1.543 0.487 4.510 1.00 0.27 C ATOM 1294 CG LEU A 87 0.108 -0.005 4.315 1.00 0.39 C ATOM 1295 CD1 LEU A 87 -0.059 -1.410 4.867 1.00 0.51 C ATOM 1296 CD2 LEU A 87 -0.873 0.948 4.969 1.00 0.45 C ATOM 0 H LEU A 87 3.949 1.341 3.906 1.00 0.20 H new ATOM 0 HA LEU A 87 2.580 -1.272 3.894 1.00 0.21 H new ATOM 0 HB2 LEU A 87 1.820 0.353 5.556 1.00 0.27 H new ATOM 0 HB3 LEU A 87 1.577 1.557 4.306 1.00 0.27 H new ATOM 0 HG LEU A 87 -0.102 -0.034 3.246 1.00 0.39 H new ATOM 0 HD11 LEU A 87 -1.087 -1.740 4.718 1.00 0.51 H new ATOM 0 HD12 LEU A 87 0.619 -2.088 4.348 1.00 0.51 H new ATOM 0 HD13 LEU A 87 0.172 -1.412 5.932 1.00 0.51 H new ATOM 0 HD21 LEU A 87 -1.889 0.583 4.821 1.00 0.45 H new ATOM 0 HD22 LEU A 87 -0.662 1.011 6.037 1.00 0.45 H new ATOM 0 HD23 LEU A 87 -0.774 1.937 4.521 1.00 0.45 H new ATOM 1308 N VAL A 88 1.998 -1.135 1.492 1.00 0.20 N ATOM 1309 CA VAL A 88 1.747 -1.096 0.066 1.00 0.23 C ATOM 1310 C VAL A 88 0.446 -1.799 -0.277 1.00 0.24 C ATOM 1311 O VAL A 88 -0.089 -2.576 0.520 1.00 0.27 O ATOM 1312 CB VAL A 88 2.904 -1.733 -0.738 1.00 0.28 C ATOM 1313 CG1 VAL A 88 4.184 -0.928 -0.568 1.00 0.31 C ATOM 1314 CG2 VAL A 88 3.124 -3.179 -0.319 1.00 0.33 C ATOM 0 H VAL A 88 1.986 -2.070 1.900 1.00 0.20 H new ATOM 0 HA VAL A 88 1.672 -0.045 -0.212 1.00 0.23 H new ATOM 0 HB VAL A 88 2.628 -1.722 -1.792 1.00 0.28 H new ATOM 0 HG11 VAL A 88 4.985 -1.393 -1.142 1.00 0.31 H new ATOM 0 HG12 VAL A 88 4.025 0.089 -0.926 1.00 0.31 H new ATOM 0 HG13 VAL A 88 4.460 -0.902 0.486 1.00 0.31 H new ATOM 0 HG21 VAL A 88 3.943 -3.605 -0.899 1.00 0.33 H new ATOM 0 HG22 VAL A 88 3.372 -3.217 0.742 1.00 0.33 H new ATOM 0 HG23 VAL A 88 2.215 -3.752 -0.499 1.00 0.33 H new ATOM 1324 N VAL A 89 -0.058 -1.509 -1.461 1.00 0.24 N ATOM 1325 CA VAL A 89 -1.324 -2.051 -1.917 1.00 0.27 C ATOM 1326 C VAL A 89 -1.160 -2.719 -3.275 1.00 0.34 C ATOM 1327 O VAL A 89 -0.389 -2.254 -4.116 1.00 0.42 O ATOM 1328 CB VAL A 89 -2.405 -0.947 -2.010 1.00 0.25 C ATOM 1329 CG1 VAL A 89 -2.864 -0.530 -0.622 1.00 0.29 C ATOM 1330 CG2 VAL A 89 -1.884 0.263 -2.778 1.00 0.30 C ATOM 0 H VAL A 89 0.398 -0.892 -2.133 1.00 0.24 H new ATOM 0 HA VAL A 89 -1.647 -2.793 -1.187 1.00 0.27 H new ATOM 0 HB VAL A 89 -3.257 -1.356 -2.552 1.00 0.25 H new ATOM 0 HG11 VAL A 89 -3.624 0.247 -0.708 1.00 0.29 H new ATOM 0 HG12 VAL A 89 -3.283 -1.392 -0.103 1.00 0.29 H new ATOM 0 HG13 VAL A 89 -2.014 -0.145 -0.058 1.00 0.29 H new ATOM 0 HG21 VAL A 89 -2.662 1.024 -2.829 1.00 0.30 H new ATOM 0 HG22 VAL A 89 -1.011 0.670 -2.267 1.00 0.30 H new ATOM 0 HG23 VAL A 89 -1.605 -0.039 -3.787 1.00 0.30 H new ATOM 1340 N ASP A 90 -1.876 -3.824 -3.469 1.00 0.41 N ATOM 1341 CA ASP A 90 -1.809 -4.573 -4.719 1.00 0.51 C ATOM 1342 C ASP A 90 -2.594 -3.841 -5.802 1.00 0.48 C ATOM 1343 O ASP A 90 -3.293 -2.876 -5.506 1.00 0.45 O ATOM 1344 CB ASP A 90 -2.370 -5.987 -4.524 1.00 0.68 C ATOM 1345 CG ASP A 90 -1.733 -7.008 -5.449 1.00 1.20 C ATOM 1346 OD1 ASP A 90 -1.814 -6.823 -6.681 1.00 1.92 O ATOM 1347 OD2 ASP A 90 -1.181 -8.016 -4.956 1.00 1.86 O ATOM 0 H ASP A 90 -2.510 -4.220 -2.775 1.00 0.41 H new ATOM 0 HA ASP A 90 -0.767 -4.653 -5.027 1.00 0.51 H new ATOM 0 HB2 ASP A 90 -2.215 -6.295 -3.490 1.00 0.68 H new ATOM 0 HB3 ASP A 90 -3.447 -5.972 -4.694 1.00 0.68 H new ATOM 1352 N ARG A 91 -2.507 -4.306 -7.038 1.00 0.57 N ATOM 1353 CA ARG A 91 -3.141 -3.620 -8.160 1.00 0.61 C ATOM 1354 C ARG A 91 -4.648 -3.519 -7.951 1.00 0.55 C ATOM 1355 O ARG A 91 -5.236 -2.441 -8.069 1.00 0.55 O ATOM 1356 CB ARG A 91 -2.844 -4.364 -9.462 1.00 0.75 C ATOM 1357 CG ARG A 91 -3.435 -3.705 -10.698 1.00 0.82 C ATOM 1358 CD ARG A 91 -3.224 -4.561 -11.938 1.00 1.44 C ATOM 1359 NE ARG A 91 -1.805 -4.808 -12.209 1.00 2.25 N ATOM 1360 CZ ARG A 91 -1.200 -5.983 -12.022 1.00 3.13 C ATOM 1361 NH1 ARG A 91 -1.882 -7.011 -11.528 1.00 3.39 N ATOM 1362 NH2 ARG A 91 0.085 -6.125 -12.322 1.00 4.16 N ATOM 0 H ARG A 91 -2.004 -5.156 -7.293 1.00 0.57 H new ATOM 0 HA ARG A 91 -2.733 -2.611 -8.221 1.00 0.61 H new ATOM 0 HB2 ARG A 91 -1.764 -4.442 -9.586 1.00 0.75 H new ATOM 0 HB3 ARG A 91 -3.231 -5.380 -9.384 1.00 0.75 H new ATOM 0 HG2 ARG A 91 -4.501 -3.536 -10.548 1.00 0.82 H new ATOM 0 HG3 ARG A 91 -2.975 -2.728 -10.846 1.00 0.82 H new ATOM 0 HD2 ARG A 91 -3.738 -5.514 -11.811 1.00 1.44 H new ATOM 0 HD3 ARG A 91 -3.675 -4.067 -12.799 1.00 1.44 H new ATOM 0 HE ARG A 91 -1.244 -4.033 -12.563 1.00 2.25 H new ATOM 0 HH11 ARG A 91 -2.868 -6.902 -11.292 1.00 3.39 H new ATOM 0 HH12 ARG A 91 -1.419 -7.909 -11.385 1.00 3.39 H new ATOM 0 HH21 ARG A 91 0.612 -5.336 -12.696 1.00 4.16 H new ATOM 0 HH22 ARG A 91 0.546 -7.024 -12.179 1.00 4.16 H new ATOM 1376 N GLU A 92 -5.260 -4.642 -7.596 1.00 0.57 N ATOM 1377 CA GLU A 92 -6.696 -4.691 -7.356 1.00 0.61 C ATOM 1378 C GLU A 92 -7.057 -3.845 -6.145 1.00 0.51 C ATOM 1379 O GLU A 92 -8.056 -3.132 -6.146 1.00 0.56 O ATOM 1380 CB GLU A 92 -7.155 -6.137 -7.137 1.00 0.74 C ATOM 1381 CG GLU A 92 -7.301 -6.951 -8.413 1.00 1.44 C ATOM 1382 CD GLU A 92 -6.034 -6.996 -9.242 1.00 1.98 C ATOM 1383 OE1 GLU A 92 -5.013 -7.515 -8.744 1.00 2.26 O ATOM 1384 OE2 GLU A 92 -6.054 -6.503 -10.390 1.00 2.68 O ATOM 0 H GLU A 92 -4.782 -5.534 -7.468 1.00 0.57 H new ATOM 0 HA GLU A 92 -7.204 -4.291 -8.233 1.00 0.61 H new ATOM 0 HB2 GLU A 92 -6.441 -6.636 -6.482 1.00 0.74 H new ATOM 0 HB3 GLU A 92 -8.112 -6.126 -6.616 1.00 0.74 H new ATOM 0 HG2 GLU A 92 -7.595 -7.969 -8.155 1.00 1.44 H new ATOM 0 HG3 GLU A 92 -8.106 -6.529 -9.015 1.00 1.44 H new ATOM 1391 N THR A 93 -6.215 -3.925 -5.128 1.00 0.44 N ATOM 1392 CA THR A 93 -6.416 -3.201 -3.883 1.00 0.38 C ATOM 1393 C THR A 93 -6.369 -1.693 -4.117 1.00 0.33 C ATOM 1394 O THR A 93 -7.268 -0.953 -3.713 1.00 0.37 O ATOM 1395 CB THR A 93 -5.310 -3.575 -2.883 1.00 0.36 C ATOM 1396 OG1 THR A 93 -5.122 -4.994 -2.879 1.00 0.47 O ATOM 1397 CG2 THR A 93 -5.646 -3.093 -1.483 1.00 0.36 C ATOM 0 H THR A 93 -5.370 -4.496 -5.142 1.00 0.44 H new ATOM 0 HA THR A 93 -7.395 -3.473 -3.488 1.00 0.38 H new ATOM 0 HB THR A 93 -4.388 -3.085 -3.195 1.00 0.36 H new ATOM 0 HG1 THR A 93 -4.415 -5.229 -2.242 1.00 0.47 H new ATOM 0 HG21 THR A 93 -4.844 -3.373 -0.800 1.00 0.36 H new ATOM 0 HG22 THR A 93 -5.756 -2.009 -1.488 1.00 0.36 H new ATOM 0 HG23 THR A 93 -6.579 -3.551 -1.155 1.00 0.36 H new ATOM 1405 N ASP A 94 -5.310 -1.266 -4.790 1.00 0.33 N ATOM 1406 CA ASP A 94 -5.038 0.143 -5.039 1.00 0.39 C ATOM 1407 C ASP A 94 -6.178 0.803 -5.812 1.00 0.43 C ATOM 1408 O ASP A 94 -6.574 1.929 -5.514 1.00 0.50 O ATOM 1409 CB ASP A 94 -3.714 0.260 -5.808 1.00 0.48 C ATOM 1410 CG ASP A 94 -3.300 1.688 -6.081 1.00 0.71 C ATOM 1411 OD1 ASP A 94 -3.279 2.495 -5.136 1.00 0.77 O ATOM 1412 OD2 ASP A 94 -2.990 2.008 -7.248 1.00 1.18 O ATOM 0 H ASP A 94 -4.608 -1.894 -5.182 1.00 0.33 H new ATOM 0 HA ASP A 94 -4.957 0.666 -4.086 1.00 0.39 H new ATOM 0 HB2 ASP A 94 -2.927 -0.236 -5.239 1.00 0.48 H new ATOM 0 HB3 ASP A 94 -3.805 -0.271 -6.755 1.00 0.48 H new ATOM 1417 N GLU A 95 -6.701 0.101 -6.801 1.00 0.43 N ATOM 1418 CA GLU A 95 -7.824 0.603 -7.586 1.00 0.49 C ATOM 1419 C GLU A 95 -9.133 0.522 -6.802 1.00 0.45 C ATOM 1420 O GLU A 95 -9.974 1.416 -6.897 1.00 0.50 O ATOM 1421 CB GLU A 95 -7.936 -0.180 -8.892 1.00 0.60 C ATOM 1422 CG GLU A 95 -6.736 0.008 -9.804 1.00 0.72 C ATOM 1423 CD GLU A 95 -6.632 1.419 -10.346 1.00 1.17 C ATOM 1424 OE1 GLU A 95 -6.170 2.322 -9.614 1.00 1.94 O ATOM 1425 OE2 GLU A 95 -7.017 1.636 -11.514 1.00 1.23 O ATOM 0 H GLU A 95 -6.368 -0.821 -7.083 1.00 0.43 H new ATOM 0 HA GLU A 95 -7.639 1.653 -7.812 1.00 0.49 H new ATOM 0 HB2 GLU A 95 -8.050 -1.240 -8.665 1.00 0.60 H new ATOM 0 HB3 GLU A 95 -8.838 0.131 -9.419 1.00 0.60 H new ATOM 0 HG2 GLU A 95 -5.826 -0.235 -9.256 1.00 0.72 H new ATOM 0 HG3 GLU A 95 -6.803 -0.693 -10.636 1.00 0.72 H new ATOM 1432 N PHE A 96 -9.286 -0.540 -6.014 1.00 0.41 N ATOM 1433 CA PHE A 96 -10.495 -0.753 -5.227 1.00 0.41 C ATOM 1434 C PHE A 96 -10.687 0.372 -4.217 1.00 0.36 C ATOM 1435 O PHE A 96 -11.774 0.935 -4.103 1.00 0.40 O ATOM 1436 CB PHE A 96 -10.421 -2.106 -4.506 1.00 0.44 C ATOM 1437 CG PHE A 96 -11.538 -2.351 -3.528 1.00 0.51 C ATOM 1438 CD1 PHE A 96 -12.813 -2.660 -3.978 1.00 0.63 C ATOM 1439 CD2 PHE A 96 -11.315 -2.272 -2.164 1.00 0.52 C ATOM 1440 CE1 PHE A 96 -13.843 -2.885 -3.085 1.00 0.73 C ATOM 1441 CE2 PHE A 96 -12.341 -2.494 -1.266 1.00 0.62 C ATOM 1442 CZ PHE A 96 -13.598 -2.803 -1.718 1.00 0.72 C ATOM 0 H PHE A 96 -8.582 -1.270 -5.904 1.00 0.41 H new ATOM 0 HA PHE A 96 -11.351 -0.756 -5.902 1.00 0.41 H new ATOM 0 HB2 PHE A 96 -10.426 -2.902 -5.251 1.00 0.44 H new ATOM 0 HB3 PHE A 96 -9.470 -2.170 -3.977 1.00 0.44 H new ATOM 0 HD1 PHE A 96 -13.003 -2.726 -5.039 1.00 0.63 H new ATOM 0 HD2 PHE A 96 -10.327 -2.034 -1.798 1.00 0.52 H new ATOM 0 HE1 PHE A 96 -14.833 -3.123 -3.446 1.00 0.73 H new ATOM 0 HE2 PHE A 96 -12.152 -2.424 -0.205 1.00 0.62 H new ATOM 0 HZ PHE A 96 -14.397 -2.983 -1.014 1.00 0.72 H new ATOM 1452 N PHE A 97 -9.621 0.699 -3.502 1.00 0.32 N ATOM 1453 CA PHE A 97 -9.646 1.778 -2.528 1.00 0.32 C ATOM 1454 C PHE A 97 -9.957 3.119 -3.186 1.00 0.39 C ATOM 1455 O PHE A 97 -10.697 3.923 -2.626 1.00 0.44 O ATOM 1456 CB PHE A 97 -8.312 1.846 -1.779 1.00 0.30 C ATOM 1457 CG PHE A 97 -8.259 0.967 -0.559 1.00 0.29 C ATOM 1458 CD1 PHE A 97 -8.908 1.331 0.610 1.00 0.38 C ATOM 1459 CD2 PHE A 97 -7.566 -0.230 -0.588 1.00 0.37 C ATOM 1460 CE1 PHE A 97 -8.860 0.516 1.728 1.00 0.41 C ATOM 1461 CE2 PHE A 97 -7.515 -1.050 0.525 1.00 0.40 C ATOM 1462 CZ PHE A 97 -8.162 -0.641 1.711 1.00 0.35 C ATOM 0 H PHE A 97 -8.720 0.227 -3.580 1.00 0.32 H new ATOM 0 HA PHE A 97 -10.443 1.567 -1.815 1.00 0.32 H new ATOM 0 HB2 PHE A 97 -7.509 1.559 -2.458 1.00 0.30 H new ATOM 0 HB3 PHE A 97 -8.125 2.878 -1.481 1.00 0.30 H new ATOM 0 HD1 PHE A 97 -9.457 2.260 0.649 1.00 0.38 H new ATOM 0 HD2 PHE A 97 -7.057 -0.529 -1.493 1.00 0.37 H new ATOM 0 HE1 PHE A 97 -9.387 0.808 2.624 1.00 0.41 H new ATOM 0 HE2 PHE A 97 -6.987 -1.991 0.487 1.00 0.40 H new ATOM 0 HZ PHE A 97 -8.099 -1.250 2.601 1.00 0.35 H new ATOM 1472 N LYS A 98 -9.422 3.347 -4.383 1.00 0.43 N ATOM 1473 CA LYS A 98 -9.642 4.614 -5.080 1.00 0.53 C ATOM 1474 C LYS A 98 -11.100 4.787 -5.479 1.00 0.56 C ATOM 1475 O LYS A 98 -11.700 5.827 -5.212 1.00 0.61 O ATOM 1476 CB LYS A 98 -8.776 4.719 -6.335 1.00 0.63 C ATOM 1477 CG LYS A 98 -7.300 4.911 -6.060 1.00 0.85 C ATOM 1478 CD LYS A 98 -6.587 5.449 -7.287 1.00 1.13 C ATOM 1479 CE LYS A 98 -5.155 4.965 -7.345 1.00 1.31 C ATOM 1480 NZ LYS A 98 -5.100 3.493 -7.492 1.00 1.92 N ATOM 0 H LYS A 98 -8.839 2.679 -4.887 1.00 0.43 H new ATOM 0 HA LYS A 98 -9.364 5.402 -4.380 1.00 0.53 H new ATOM 0 HB2 LYS A 98 -8.908 3.815 -6.930 1.00 0.63 H new ATOM 0 HB3 LYS A 98 -9.132 5.553 -6.939 1.00 0.63 H new ATOM 0 HG2 LYS A 98 -7.168 5.600 -5.226 1.00 0.85 H new ATOM 0 HG3 LYS A 98 -6.855 3.962 -5.763 1.00 0.85 H new ATOM 0 HD2 LYS A 98 -7.117 5.134 -8.186 1.00 1.13 H new ATOM 0 HD3 LYS A 98 -6.605 6.539 -7.272 1.00 1.13 H new ATOM 0 HE2 LYS A 98 -4.641 5.437 -8.182 1.00 1.31 H new ATOM 0 HE3 LYS A 98 -4.629 5.264 -6.438 1.00 1.31 H new ATOM 0 HZ1 LYS A 98 -4.130 3.204 -7.732 1.00 1.92 H new ATOM 0 HZ2 LYS A 98 -5.384 3.044 -6.598 1.00 1.92 H new ATOM 0 HZ3 LYS A 98 -5.748 3.195 -8.249 1.00 1.92 H new ATOM 1494 N LYS A 99 -11.665 3.769 -6.119 1.00 0.55 N ATOM 1495 CA LYS A 99 -13.046 3.839 -6.580 1.00 0.63 C ATOM 1496 C LYS A 99 -14.028 3.746 -5.415 1.00 0.63 C ATOM 1497 O LYS A 99 -15.199 4.100 -5.545 1.00 0.75 O ATOM 1498 CB LYS A 99 -13.342 2.740 -7.600 1.00 0.66 C ATOM 1499 CG LYS A 99 -13.186 1.329 -7.060 1.00 0.60 C ATOM 1500 CD LYS A 99 -13.797 0.315 -8.009 1.00 0.76 C ATOM 1501 CE LYS A 99 -15.264 0.621 -8.288 1.00 1.62 C ATOM 1502 NZ LYS A 99 -15.808 -0.199 -9.399 1.00 2.04 N ATOM 0 H LYS A 99 -11.191 2.891 -6.329 1.00 0.55 H new ATOM 0 HA LYS A 99 -13.175 4.808 -7.062 1.00 0.63 H new ATOM 0 HB2 LYS A 99 -14.361 2.866 -7.967 1.00 0.66 H new ATOM 0 HB3 LYS A 99 -12.677 2.865 -8.455 1.00 0.66 H new ATOM 0 HG2 LYS A 99 -12.129 1.106 -6.914 1.00 0.60 H new ATOM 0 HG3 LYS A 99 -13.665 1.254 -6.084 1.00 0.60 H new ATOM 0 HD2 LYS A 99 -13.241 0.312 -8.946 1.00 0.76 H new ATOM 0 HD3 LYS A 99 -13.708 -0.684 -7.582 1.00 0.76 H new ATOM 0 HE2 LYS A 99 -15.849 0.441 -7.386 1.00 1.62 H new ATOM 0 HE3 LYS A 99 -15.373 1.678 -8.532 1.00 1.62 H new ATOM 0 HZ1 LYS A 99 -16.808 0.044 -9.552 1.00 2.04 H new ATOM 0 HZ2 LYS A 99 -15.268 -0.009 -10.267 1.00 2.04 H new ATOM 0 HZ3 LYS A 99 -15.730 -1.207 -9.157 1.00 2.04 H new ATOM 1516 N CYS A 100 -13.554 3.252 -4.284 1.00 0.55 N ATOM 1517 CA CYS A 100 -14.382 3.159 -3.098 1.00 0.60 C ATOM 1518 C CYS A 100 -14.241 4.449 -2.301 1.00 0.61 C ATOM 1519 O CYS A 100 -15.029 4.732 -1.396 1.00 0.68 O ATOM 1520 CB CYS A 100 -13.979 1.949 -2.245 1.00 0.60 C ATOM 1521 SG CYS A 100 -15.218 1.442 -1.029 1.00 1.39 S ATOM 0 H CYS A 100 -12.601 2.910 -4.164 1.00 0.55 H new ATOM 0 HA CYS A 100 -15.423 3.021 -3.391 1.00 0.60 H new ATOM 0 HB2 CYS A 100 -13.772 1.107 -2.906 1.00 0.60 H new ATOM 0 HB3 CYS A 100 -13.050 2.181 -1.724 1.00 0.60 H new ATOM 0 HG CYS A 100 -14.780 0.414 -0.366 1.00 1.39 H new ATOM 1527 N ARG A 101 -13.221 5.231 -2.680 1.00 0.59 N ATOM 1528 CA ARG A 101 -12.940 6.535 -2.083 1.00 0.65 C ATOM 1529 C ARG A 101 -12.476 6.377 -0.642 1.00 0.64 C ATOM 1530 O ARG A 101 -12.727 7.231 0.211 1.00 0.75 O ATOM 1531 CB ARG A 101 -14.175 7.424 -2.182 1.00 0.77 C ATOM 1532 CG ARG A 101 -14.656 7.590 -3.614 1.00 0.79 C ATOM 1533 CD ARG A 101 -16.114 7.987 -3.662 1.00 1.19 C ATOM 1534 NE ARG A 101 -16.344 9.304 -3.073 1.00 2.14 N ATOM 1535 CZ ARG A 101 -17.471 9.662 -2.463 1.00 3.08 C ATOM 1536 NH1 ARG A 101 -18.433 8.770 -2.253 1.00 3.37 N ATOM 1537 NH2 ARG A 101 -17.627 10.905 -2.024 1.00 4.09 N ATOM 0 H ARG A 101 -12.565 4.970 -3.416 1.00 0.59 H new ATOM 0 HA ARG A 101 -12.130 7.015 -2.633 1.00 0.65 H new ATOM 0 HB2 ARG A 101 -14.976 6.996 -1.580 1.00 0.77 H new ATOM 0 HB3 ARG A 101 -13.949 8.404 -1.762 1.00 0.77 H new ATOM 0 HG2 ARG A 101 -14.054 8.347 -4.116 1.00 0.79 H new ATOM 0 HG3 ARG A 101 -14.513 6.656 -4.158 1.00 0.79 H new ATOM 0 HD2 ARG A 101 -16.455 7.989 -4.697 1.00 1.19 H new ATOM 0 HD3 ARG A 101 -16.709 7.244 -3.131 1.00 1.19 H new ATOM 0 HE ARG A 101 -15.594 9.992 -3.133 1.00 2.14 H new ATOM 0 HH11 ARG A 101 -18.310 7.805 -2.560 1.00 3.37 H new ATOM 0 HH12 ARG A 101 -19.295 9.050 -1.785 1.00 3.37 H new ATOM 0 HH21 ARG A 101 -16.882 11.589 -2.154 1.00 4.09 H new ATOM 0 HH22 ARG A 101 -18.492 11.176 -1.557 1.00 4.09 H new ATOM 1551 N VAL A 102 -11.768 5.282 -0.401 1.00 0.55 N ATOM 1552 CA VAL A 102 -11.287 4.933 0.924 1.00 0.57 C ATOM 1553 C VAL A 102 -9.765 5.007 0.962 1.00 0.49 C ATOM 1554 O VAL A 102 -9.100 4.769 -0.047 1.00 0.46 O ATOM 1555 CB VAL A 102 -11.729 3.505 1.309 1.00 0.69 C ATOM 1556 CG1 VAL A 102 -11.305 3.157 2.727 1.00 0.89 C ATOM 1557 CG2 VAL A 102 -13.230 3.351 1.147 1.00 1.42 C ATOM 0 H VAL A 102 -11.511 4.610 -1.124 1.00 0.55 H new ATOM 0 HA VAL A 102 -11.711 5.642 1.635 1.00 0.57 H new ATOM 0 HB VAL A 102 -11.232 2.808 0.634 1.00 0.69 H new ATOM 0 HG11 VAL A 102 -11.632 2.145 2.966 1.00 0.89 H new ATOM 0 HG12 VAL A 102 -10.220 3.216 2.807 1.00 0.89 H new ATOM 0 HG13 VAL A 102 -11.759 3.860 3.425 1.00 0.89 H new ATOM 0 HG21 VAL A 102 -13.524 2.338 1.423 1.00 1.42 H new ATOM 0 HG22 VAL A 102 -13.741 4.065 1.793 1.00 1.42 H new ATOM 0 HG23 VAL A 102 -13.505 3.539 0.109 1.00 1.42 H new ATOM 1567 N ILE A 103 -9.218 5.352 2.114 1.00 0.54 N ATOM 1568 CA ILE A 103 -7.778 5.378 2.286 1.00 0.50 C ATOM 1569 C ILE A 103 -7.301 4.081 2.939 1.00 0.43 C ATOM 1570 O ILE A 103 -7.780 3.702 4.010 1.00 0.46 O ATOM 1571 CB ILE A 103 -7.328 6.590 3.130 1.00 0.61 C ATOM 1572 CG1 ILE A 103 -7.702 7.894 2.415 1.00 0.78 C ATOM 1573 CG2 ILE A 103 -5.828 6.534 3.396 1.00 0.62 C ATOM 1574 CD1 ILE A 103 -7.277 9.143 3.157 1.00 1.33 C ATOM 0 H ILE A 103 -9.749 5.618 2.943 1.00 0.54 H new ATOM 0 HA ILE A 103 -7.328 5.472 1.298 1.00 0.50 H new ATOM 0 HB ILE A 103 -7.842 6.557 4.091 1.00 0.61 H new ATOM 0 HG12 ILE A 103 -7.246 7.898 1.425 1.00 0.78 H new ATOM 0 HG13 ILE A 103 -8.782 7.920 2.268 1.00 0.78 H new ATOM 0 HG21 ILE A 103 -5.532 7.397 3.992 1.00 0.62 H new ATOM 0 HG22 ILE A 103 -5.588 5.619 3.938 1.00 0.62 H new ATOM 0 HG23 ILE A 103 -5.290 6.546 2.448 1.00 0.62 H new ATOM 0 HD11 ILE A 103 -7.576 10.024 2.589 1.00 1.33 H new ATOM 0 HD12 ILE A 103 -7.754 9.164 4.137 1.00 1.33 H new ATOM 0 HD13 ILE A 103 -6.194 9.142 3.281 1.00 1.33 H new ATOM 1586 N PRO A 104 -6.380 3.368 2.279 1.00 0.39 N ATOM 1587 CA PRO A 104 -5.797 2.146 2.824 1.00 0.37 C ATOM 1588 C PRO A 104 -4.860 2.445 3.987 1.00 0.37 C ATOM 1589 O PRO A 104 -4.185 3.470 4.000 1.00 0.45 O ATOM 1590 CB PRO A 104 -5.034 1.544 1.643 1.00 0.41 C ATOM 1591 CG PRO A 104 -4.761 2.685 0.723 1.00 0.53 C ATOM 1592 CD PRO A 104 -5.840 3.710 0.954 1.00 0.44 C ATOM 0 HA PRO A 104 -6.551 1.470 3.227 1.00 0.37 H new ATOM 0 HB2 PRO A 104 -4.107 1.075 1.973 1.00 0.41 H new ATOM 0 HB3 PRO A 104 -5.623 0.772 1.147 1.00 0.41 H new ATOM 0 HG2 PRO A 104 -3.777 3.111 0.919 1.00 0.53 H new ATOM 0 HG3 PRO A 104 -4.763 2.352 -0.315 1.00 0.53 H new ATOM 0 HD2 PRO A 104 -5.438 4.723 0.936 1.00 0.44 H new ATOM 0 HD3 PRO A 104 -6.610 3.659 0.184 1.00 0.44 H new ATOM 1600 N SER A 105 -4.821 1.549 4.961 1.00 0.32 N ATOM 1601 CA SER A 105 -4.043 1.785 6.163 1.00 0.34 C ATOM 1602 C SER A 105 -3.760 0.481 6.893 1.00 0.34 C ATOM 1603 O SER A 105 -4.332 -0.561 6.552 1.00 0.33 O ATOM 1604 CB SER A 105 -4.788 2.751 7.091 1.00 0.43 C ATOM 1605 OG SER A 105 -6.087 2.264 7.403 1.00 1.42 O ATOM 0 H SER A 105 -5.316 0.658 4.942 1.00 0.32 H new ATOM 0 HA SER A 105 -3.091 2.229 5.870 1.00 0.34 H new ATOM 0 HB2 SER A 105 -4.218 2.889 8.010 1.00 0.43 H new ATOM 0 HB3 SER A 105 -4.868 3.728 6.615 1.00 0.43 H new ATOM 0 HG SER A 105 -6.432 2.733 8.192 1.00 1.42 H new ATOM 1611 N GLN A 106 -2.888 0.544 7.893 1.00 0.39 N ATOM 1612 CA GLN A 106 -2.571 -0.610 8.735 1.00 0.43 C ATOM 1613 C GLN A 106 -3.832 -1.194 9.373 1.00 0.45 C ATOM 1614 O GLN A 106 -3.913 -2.394 9.634 1.00 0.50 O ATOM 1615 CB GLN A 106 -1.569 -0.216 9.820 1.00 0.52 C ATOM 1616 CG GLN A 106 -0.235 0.265 9.279 1.00 0.68 C ATOM 1617 CD GLN A 106 0.648 0.842 10.365 1.00 0.96 C ATOM 1618 OE1 GLN A 106 0.161 1.415 11.341 1.00 1.66 O ATOM 1619 NE2 GLN A 106 1.954 0.684 10.217 1.00 1.42 N ATOM 0 H GLN A 106 -2.381 1.392 8.145 1.00 0.39 H new ATOM 0 HA GLN A 106 -2.126 -1.376 8.099 1.00 0.43 H new ATOM 0 HB2 GLN A 106 -2.005 0.571 10.436 1.00 0.52 H new ATOM 0 HB3 GLN A 106 -1.398 -1.073 10.472 1.00 0.52 H new ATOM 0 HG2 GLN A 106 0.281 -0.566 8.797 1.00 0.68 H new ATOM 0 HG3 GLN A 106 -0.407 1.021 8.513 1.00 0.68 H new ATOM 0 HE21 GLN A 106 2.320 0.204 9.395 1.00 1.42 H new ATOM 0 HE22 GLN A 106 2.595 1.042 10.925 1.00 1.42 H new ATOM 1628 N GLU A 107 -4.822 -0.335 9.601 1.00 0.46 N ATOM 1629 CA GLU A 107 -6.096 -0.746 10.187 1.00 0.51 C ATOM 1630 C GLU A 107 -6.770 -1.818 9.333 1.00 0.42 C ATOM 1631 O GLU A 107 -7.479 -2.679 9.843 1.00 0.49 O ATOM 1632 CB GLU A 107 -7.030 0.456 10.282 1.00 0.59 C ATOM 1633 CG GLU A 107 -6.405 1.682 10.918 1.00 1.41 C ATOM 1634 CD GLU A 107 -7.224 2.924 10.652 1.00 2.16 C ATOM 1635 OE1 GLU A 107 -8.152 3.204 11.440 1.00 2.63 O ATOM 1636 OE2 GLU A 107 -6.932 3.636 9.670 1.00 2.82 O ATOM 0 H GLU A 107 -4.765 0.661 9.386 1.00 0.46 H new ATOM 0 HA GLU A 107 -5.895 -1.152 11.179 1.00 0.51 H new ATOM 0 HB2 GLU A 107 -7.373 0.715 9.280 1.00 0.59 H new ATOM 0 HB3 GLU A 107 -7.911 0.172 10.857 1.00 0.59 H new ATOM 0 HG2 GLU A 107 -6.314 1.529 11.993 1.00 1.41 H new ATOM 0 HG3 GLU A 107 -5.396 1.820 10.529 1.00 1.41 H new ATOM 1643 N HIS A 108 -6.530 -1.757 8.030 1.00 0.34 N ATOM 1644 CA HIS A 108 -7.160 -2.669 7.085 1.00 0.37 C ATOM 1645 C HIS A 108 -6.434 -4.008 7.041 1.00 0.46 C ATOM 1646 O HIS A 108 -6.963 -4.992 6.526 1.00 0.53 O ATOM 1647 CB HIS A 108 -7.210 -2.031 5.695 1.00 0.38 C ATOM 1648 CG HIS A 108 -8.194 -0.905 5.597 1.00 0.40 C ATOM 1649 ND1 HIS A 108 -7.882 0.409 5.892 1.00 0.52 N ATOM 1650 CD2 HIS A 108 -9.496 -0.904 5.231 1.00 0.52 C ATOM 1651 CE1 HIS A 108 -8.952 1.162 5.712 1.00 0.52 C ATOM 1652 NE2 HIS A 108 -9.945 0.390 5.310 1.00 0.52 N ATOM 0 H HIS A 108 -5.899 -1.080 7.601 1.00 0.34 H new ATOM 0 HA HIS A 108 -8.179 -2.860 7.421 1.00 0.37 H new ATOM 0 HB2 HIS A 108 -6.218 -1.661 5.436 1.00 0.38 H new ATOM 0 HB3 HIS A 108 -7.467 -2.795 4.961 1.00 0.38 H new ATOM 0 HD1 HIS A 108 -6.969 0.744 6.200 1.00 0.52 H new ATOM 0 HD2 HIS A 108 -10.076 -1.764 4.931 1.00 0.52 H new ATOM 0 HE1 HIS A 108 -9.006 2.229 5.867 1.00 0.52 H new ATOM 1661 N LEU A 109 -5.222 -4.036 7.581 1.00 0.52 N ATOM 1662 CA LEU A 109 -4.433 -5.263 7.635 1.00 0.70 C ATOM 1663 C LEU A 109 -5.081 -6.268 8.577 1.00 0.79 C ATOM 1664 O LEU A 109 -5.380 -7.399 8.195 1.00 1.24 O ATOM 1665 CB LEU A 109 -3.015 -4.960 8.118 1.00 0.96 C ATOM 1666 CG LEU A 109 -2.239 -3.953 7.275 1.00 0.44 C ATOM 1667 CD1 LEU A 109 -0.920 -3.615 7.944 1.00 0.84 C ATOM 1668 CD2 LEU A 109 -2.004 -4.501 5.883 1.00 0.67 C ATOM 0 H LEU A 109 -4.762 -3.222 7.989 1.00 0.52 H new ATOM 0 HA LEU A 109 -4.390 -5.686 6.631 1.00 0.70 H new ATOM 0 HB2 LEU A 109 -3.069 -4.587 9.141 1.00 0.96 H new ATOM 0 HB3 LEU A 109 -2.452 -5.893 8.149 1.00 0.96 H new ATOM 0 HG LEU A 109 -2.828 -3.040 7.190 1.00 0.44 H new ATOM 0 HD11 LEU A 109 -0.376 -2.895 7.332 1.00 0.84 H new ATOM 0 HD12 LEU A 109 -1.110 -3.185 8.927 1.00 0.84 H new ATOM 0 HD13 LEU A 109 -0.325 -4.522 8.054 1.00 0.84 H new ATOM 0 HD21 LEU A 109 -1.449 -3.771 5.293 1.00 0.67 H new ATOM 0 HD22 LEU A 109 -1.431 -5.426 5.948 1.00 0.67 H new ATOM 0 HD23 LEU A 109 -2.963 -4.701 5.404 1.00 0.67 H new ATOM 1680 N ASN A 110 -5.307 -5.831 9.806 1.00 1.37 N ATOM 1681 CA ASN A 110 -5.920 -6.674 10.825 1.00 1.67 C ATOM 1682 C ASN A 110 -7.412 -6.389 10.925 1.00 1.44 C ATOM 1683 O ASN A 110 -8.065 -6.767 11.898 1.00 1.77 O ATOM 1684 CB ASN A 110 -5.247 -6.450 12.187 1.00 2.17 C ATOM 1685 CG ASN A 110 -5.252 -4.993 12.620 1.00 2.95 C ATOM 1686 OD1 ASN A 110 -6.210 -4.511 13.231 1.00 3.70 O ATOM 1687 ND2 ASN A 110 -4.173 -4.287 12.325 1.00 3.35 N ATOM 0 H ASN A 110 -5.074 -4.891 10.125 1.00 1.37 H new ATOM 0 HA ASN A 110 -5.781 -7.716 10.535 1.00 1.67 H new ATOM 0 HB2 ASN A 110 -5.757 -7.049 12.941 1.00 2.17 H new ATOM 0 HB3 ASN A 110 -4.218 -6.806 12.140 1.00 2.17 H new ATOM 0 HD21 ASN A 110 -4.112 -3.308 12.604 1.00 3.35 H new ATOM 0 HD22 ASN A 110 -3.402 -4.722 11.818 1.00 3.35 H new ATOM 1694 N GLY A 111 -7.948 -5.736 9.907 1.00 1.12 N ATOM 1695 CA GLY A 111 -9.339 -5.353 9.922 1.00 1.12 C ATOM 1696 C GLY A 111 -10.072 -5.797 8.672 1.00 0.87 C ATOM 1697 O GLY A 111 -9.588 -6.665 7.941 1.00 0.93 O ATOM 0 H GLY A 111 -7.439 -5.464 9.066 1.00 1.12 H new ATOM 0 HA2 GLY A 111 -9.823 -5.786 10.797 1.00 1.12 H new ATOM 0 HA3 GLY A 111 -9.414 -4.270 10.019 1.00 1.12 H new ATOM 1701 N PRO A 112 -11.249 -5.226 8.411 1.00 0.86 N ATOM 1702 CA PRO A 112 -12.068 -5.567 7.257 1.00 0.93 C ATOM 1703 C PRO A 112 -11.830 -4.644 6.062 1.00 0.89 C ATOM 1704 O PRO A 112 -11.042 -3.695 6.135 1.00 1.31 O ATOM 1705 CB PRO A 112 -13.471 -5.356 7.806 1.00 1.25 C ATOM 1706 CG PRO A 112 -13.332 -4.202 8.748 1.00 1.30 C ATOM 1707 CD PRO A 112 -11.903 -4.204 9.243 1.00 1.10 C ATOM 0 HA PRO A 112 -11.859 -6.567 6.876 1.00 0.93 H new ATOM 0 HB2 PRO A 112 -14.181 -5.135 7.009 1.00 1.25 H new ATOM 0 HB3 PRO A 112 -13.835 -6.246 8.319 1.00 1.25 H new ATOM 0 HG2 PRO A 112 -13.564 -3.263 8.245 1.00 1.30 H new ATOM 0 HG3 PRO A 112 -14.029 -4.298 9.581 1.00 1.30 H new ATOM 0 HD2 PRO A 112 -11.435 -3.227 9.120 1.00 1.10 H new ATOM 0 HD3 PRO A 112 -11.846 -4.453 10.303 1.00 1.10 H new ATOM 1715 N LEU A 113 -12.521 -4.932 4.967 1.00 0.62 N ATOM 1716 CA LEU A 113 -12.472 -4.096 3.780 1.00 0.58 C ATOM 1717 C LEU A 113 -13.862 -3.529 3.510 1.00 0.69 C ATOM 1718 O LEU A 113 -14.845 -4.271 3.498 1.00 0.90 O ATOM 1719 CB LEU A 113 -11.993 -4.907 2.571 1.00 0.58 C ATOM 1720 CG LEU A 113 -10.641 -5.605 2.750 1.00 0.57 C ATOM 1721 CD1 LEU A 113 -10.308 -6.447 1.534 1.00 1.11 C ATOM 1722 CD2 LEU A 113 -9.536 -4.593 3.013 1.00 1.05 C ATOM 0 H LEU A 113 -13.127 -5.747 4.879 1.00 0.62 H new ATOM 0 HA LEU A 113 -11.768 -3.280 3.946 1.00 0.58 H new ATOM 0 HB2 LEU A 113 -12.745 -5.661 2.338 1.00 0.58 H new ATOM 0 HB3 LEU A 113 -11.930 -4.242 1.709 1.00 0.58 H new ATOM 0 HG LEU A 113 -10.715 -6.262 3.617 1.00 0.57 H new ATOM 0 HD11 LEU A 113 -9.344 -6.934 1.682 1.00 1.11 H new ATOM 0 HD12 LEU A 113 -11.079 -7.204 1.393 1.00 1.11 H new ATOM 0 HD13 LEU A 113 -10.261 -5.809 0.652 1.00 1.11 H new ATOM 0 HD21 LEU A 113 -8.587 -5.115 3.136 1.00 1.05 H new ATOM 0 HD22 LEU A 113 -9.465 -3.905 2.171 1.00 1.05 H new ATOM 0 HD23 LEU A 113 -9.763 -4.034 3.921 1.00 1.05 H new