USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 680 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 25 LYS NZ :NH3+ 171:sc= 1.82 (180deg=0.753) USER MOD Set 1.2: A 30 ASN : amide:sc= 0.553 K(o=2.4,f=-5.5!) USER MOD Single : A 4 LYS NZ :NH3+ 170:sc=-0.00178 (180deg=-0.116) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0319 USER MOD Single : A 10 TYR OH : rot 11:sc= -0.198 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 MET CE :methyl -138:sc= -0.213 (180deg=-2) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -30:sc= 0.102 USER MOD Single : A 37 LYS NZ :NH3+ -148:sc= 0.756 (180deg=0.228) USER MOD Single : A 46 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0392) USER MOD Single : A 47 SER OG : rot -71:sc= 0.754 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -165:sc= 0.727 (180deg=0.581) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0116) USER MOD Single : A 73 LYS NZ :NH3+ 142:sc= 0.45 (180deg=0.131) USER MOD Single : A 78 GLN : amide:sc= -0.264 K(o=-0.26,f=-1.5) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -12.746 4.381 -0.484 1.00 4.04 N ATOM 21 CA ARG A 2 -11.574 3.524 -0.648 1.00 24.54 C ATOM 22 C ARG A 2 -10.819 3.952 -1.924 1.00 35.10 C ATOM 23 O ARG A 2 -11.436 4.337 -2.924 1.00 44.21 O ATOM 24 CB ARG A 2 -11.996 2.024 -0.719 1.00 34.41 C ATOM 25 CG ARG A 2 -13.012 1.694 -1.843 1.00 41.34 C ATOM 26 CD ARG A 2 -13.426 0.217 -1.893 1.00 14.32 C ATOM 27 NE ARG A 2 -14.206 -0.205 -0.709 1.00 33.51 N ATOM 28 CZ ARG A 2 -15.252 -1.055 -0.736 1.00 4.25 C ATOM 29 NH1 ARG A 2 -15.673 -1.597 -1.875 1.00 13.13 N ATOM 30 NH2 ARG A 2 -15.880 -1.354 0.383 1.00 64.15 N ATOM 0 HA ARG A 2 -10.914 3.635 0.212 1.00 24.54 H new ATOM 0 HB2 ARG A 2 -11.104 1.415 -0.863 1.00 34.41 H new ATOM 0 HB3 ARG A 2 -12.427 1.735 0.239 1.00 34.41 H new ATOM 0 HG2 ARG A 2 -13.903 2.306 -1.705 1.00 41.34 H new ATOM 0 HG3 ARG A 2 -12.579 1.973 -2.804 1.00 41.34 H new ATOM 0 HD2 ARG A 2 -14.017 0.041 -2.792 1.00 14.32 H new ATOM 0 HD3 ARG A 2 -12.533 -0.403 -1.972 1.00 14.32 H new ATOM 0 HE ARG A 2 -13.932 0.176 0.196 1.00 33.51 H new ATOM 0 HH11 ARG A 2 -15.202 -1.372 -2.751 1.00 13.13 H new ATOM 0 HH12 ARG A 2 -16.467 -2.238 -1.872 1.00 13.13 H new ATOM 0 HH21 ARG A 2 -15.574 -0.943 1.265 1.00 64.15 H new ATOM 0 HH22 ARG A 2 -16.672 -1.997 0.367 1.00 64.15 H new ATOM 44 N ILE A 3 -9.486 3.921 -1.857 1.00 64.20 N ATOM 45 CA ILE A 3 -8.589 4.237 -2.984 1.00 71.33 C ATOM 46 C ILE A 3 -7.869 2.944 -3.399 1.00 53.20 C ATOM 47 O ILE A 3 -7.360 2.239 -2.539 1.00 4.13 O ATOM 48 CB ILE A 3 -7.523 5.327 -2.570 1.00 70.24 C ATOM 49 CG1 ILE A 3 -8.227 6.656 -2.139 1.00 22.42 C ATOM 50 CG2 ILE A 3 -6.496 5.577 -3.705 1.00 62.11 C ATOM 51 CD1 ILE A 3 -7.284 7.751 -1.658 1.00 40.23 C ATOM 0 H ILE A 3 -8.985 3.672 -1.004 1.00 64.20 H new ATOM 0 HA ILE A 3 -9.174 4.637 -3.812 1.00 71.33 H new ATOM 0 HB ILE A 3 -6.971 4.944 -1.712 1.00 70.24 H new ATOM 0 HG12 ILE A 3 -8.802 7.036 -2.983 1.00 22.42 H new ATOM 0 HG13 ILE A 3 -8.938 6.433 -1.343 1.00 22.42 H new ATOM 0 HG21 ILE A 3 -5.778 6.332 -3.386 1.00 62.11 H new ATOM 0 HG22 ILE A 3 -5.971 4.649 -3.931 1.00 62.11 H new ATOM 0 HG23 ILE A 3 -7.017 5.925 -4.597 1.00 62.11 H new ATOM 0 HD11 ILE A 3 -7.862 8.633 -1.381 1.00 40.23 H new ATOM 0 HD12 ILE A 3 -6.726 7.396 -0.792 1.00 40.23 H new ATOM 0 HD13 ILE A 3 -6.588 8.009 -2.457 1.00 40.23 H new ATOM 63 N LYS A 4 -7.803 2.644 -4.704 1.00 0.03 N ATOM 64 CA LYS A 4 -7.089 1.445 -5.192 1.00 34.24 C ATOM 65 C LYS A 4 -5.620 1.788 -5.432 1.00 53.33 C ATOM 66 O LYS A 4 -5.308 2.824 -6.024 1.00 71.03 O ATOM 67 CB LYS A 4 -7.715 0.899 -6.497 1.00 24.31 C ATOM 68 CG LYS A 4 -9.123 0.305 -6.328 1.00 2.13 C ATOM 69 CD LYS A 4 -9.679 -0.233 -7.664 1.00 33.55 C ATOM 70 CE LYS A 4 -11.090 -0.817 -7.534 1.00 25.53 C ATOM 71 NZ LYS A 4 -12.065 0.187 -7.036 1.00 4.51 N ATOM 0 H LYS A 4 -8.230 3.207 -5.439 1.00 0.03 H new ATOM 0 HA LYS A 4 -7.173 0.670 -4.430 1.00 34.24 H new ATOM 0 HB2 LYS A 4 -7.760 1.706 -7.229 1.00 24.31 H new ATOM 0 HB3 LYS A 4 -7.058 0.132 -6.907 1.00 24.31 H new ATOM 0 HG2 LYS A 4 -9.092 -0.501 -5.595 1.00 2.13 H new ATOM 0 HG3 LYS A 4 -9.795 1.068 -5.935 1.00 2.13 H new ATOM 0 HD2 LYS A 4 -9.692 0.574 -8.397 1.00 33.55 H new ATOM 0 HD3 LYS A 4 -9.008 -1.001 -8.047 1.00 33.55 H new ATOM 0 HE2 LYS A 4 -11.418 -1.191 -8.504 1.00 25.53 H new ATOM 0 HE3 LYS A 4 -11.068 -1.669 -6.855 1.00 25.53 H new ATOM 0 HZ1 LYS A 4 -13.029 -0.193 -7.122 1.00 4.51 H new ATOM 0 HZ2 LYS A 4 -11.865 0.400 -6.038 1.00 4.51 H new ATOM 0 HZ3 LYS A 4 -11.984 1.058 -7.599 1.00 4.51 H new ATOM 85 N GLY A 5 -4.738 0.916 -4.941 1.00 11.02 N ATOM 86 CA GLY A 5 -3.299 1.034 -5.151 1.00 34.42 C ATOM 87 C GLY A 5 -2.747 -0.208 -5.825 1.00 54.42 C ATOM 88 O GLY A 5 -3.424 -1.232 -5.883 1.00 11.50 O ATOM 0 H GLY A 5 -5.006 0.105 -4.384 1.00 11.02 H new ATOM 0 HA2 GLY A 5 -3.087 1.910 -5.764 1.00 34.42 H new ATOM 0 HA3 GLY A 5 -2.799 1.186 -4.194 1.00 34.42 H new ATOM 92 N VAL A 6 -1.520 -0.115 -6.340 1.00 61.32 N ATOM 93 CA VAL A 6 -0.829 -1.227 -7.003 1.00 34.11 C ATOM 94 C VAL A 6 0.356 -1.677 -6.137 1.00 54.32 C ATOM 95 O VAL A 6 1.161 -0.841 -5.715 1.00 43.03 O ATOM 96 CB VAL A 6 -0.332 -0.802 -8.434 1.00 41.24 C ATOM 97 CG1 VAL A 6 0.500 -1.917 -9.115 1.00 51.33 C ATOM 98 CG2 VAL A 6 -1.533 -0.388 -9.324 1.00 74.24 C ATOM 0 H VAL A 6 -0.970 0.744 -6.309 1.00 61.32 H new ATOM 0 HA VAL A 6 -1.526 -2.057 -7.123 1.00 34.11 H new ATOM 0 HB VAL A 6 0.326 0.058 -8.310 1.00 41.24 H new ATOM 0 HG11 VAL A 6 0.822 -1.580 -10.100 1.00 51.33 H new ATOM 0 HG12 VAL A 6 1.374 -2.143 -8.505 1.00 51.33 H new ATOM 0 HG13 VAL A 6 -0.110 -2.814 -9.220 1.00 51.33 H new ATOM 0 HG21 VAL A 6 -1.172 -0.097 -10.310 1.00 74.24 H new ATOM 0 HG22 VAL A 6 -2.220 -1.229 -9.423 1.00 74.24 H new ATOM 0 HG23 VAL A 6 -2.053 0.453 -8.865 1.00 74.24 H new ATOM 108 N VAL A 7 0.420 -2.995 -5.863 1.00 63.24 N ATOM 109 CA VAL A 7 1.547 -3.649 -5.183 1.00 34.05 C ATOM 110 C VAL A 7 2.800 -3.535 -6.075 1.00 14.51 C ATOM 111 O VAL A 7 2.988 -4.336 -7.002 1.00 4.23 O ATOM 112 CB VAL A 7 1.227 -5.172 -4.878 1.00 4.11 C ATOM 113 CG1 VAL A 7 2.398 -5.876 -4.136 1.00 44.43 C ATOM 114 CG2 VAL A 7 -0.103 -5.320 -4.091 1.00 73.42 C ATOM 0 H VAL A 7 -0.326 -3.644 -6.114 1.00 63.24 H new ATOM 0 HA VAL A 7 1.723 -3.153 -4.229 1.00 34.05 H new ATOM 0 HB VAL A 7 1.108 -5.672 -5.839 1.00 4.11 H new ATOM 0 HG11 VAL A 7 2.136 -6.917 -3.947 1.00 44.43 H new ATOM 0 HG12 VAL A 7 3.296 -5.834 -4.752 1.00 44.43 H new ATOM 0 HG13 VAL A 7 2.584 -5.371 -3.188 1.00 44.43 H new ATOM 0 HG21 VAL A 7 -0.295 -6.375 -3.897 1.00 73.42 H new ATOM 0 HG22 VAL A 7 -0.027 -4.785 -3.144 1.00 73.42 H new ATOM 0 HG23 VAL A 7 -0.922 -4.904 -4.678 1.00 73.42 H new ATOM 124 N LEU A 8 3.606 -2.490 -5.838 1.00 24.35 N ATOM 125 CA LEU A 8 4.815 -2.229 -6.633 1.00 62.41 C ATOM 126 C LEU A 8 5.895 -3.274 -6.309 1.00 42.41 C ATOM 127 O LEU A 8 6.447 -3.917 -7.214 1.00 11.51 O ATOM 128 CB LEU A 8 5.357 -0.796 -6.384 1.00 72.55 C ATOM 129 CG LEU A 8 4.360 0.386 -6.622 1.00 55.11 C ATOM 130 CD1 LEU A 8 5.055 1.749 -6.403 1.00 73.33 C ATOM 131 CD2 LEU A 8 3.689 0.303 -8.015 1.00 1.31 C ATOM 0 H LEU A 8 3.441 -1.808 -5.098 1.00 24.35 H new ATOM 0 HA LEU A 8 4.550 -2.305 -7.687 1.00 62.41 H new ATOM 0 HB2 LEU A 8 5.710 -0.740 -5.354 1.00 72.55 H new ATOM 0 HB3 LEU A 8 6.224 -0.644 -7.027 1.00 72.55 H new ATOM 0 HG LEU A 8 3.563 0.297 -5.883 1.00 55.11 H new ATOM 0 HD11 LEU A 8 4.340 2.554 -6.575 1.00 73.33 H new ATOM 0 HD12 LEU A 8 5.428 1.807 -5.380 1.00 73.33 H new ATOM 0 HD13 LEU A 8 5.888 1.849 -7.099 1.00 73.33 H new ATOM 0 HD21 LEU A 8 3.004 1.142 -8.140 1.00 1.31 H new ATOM 0 HD22 LEU A 8 4.454 0.341 -8.790 1.00 1.31 H new ATOM 0 HD23 LEU A 8 3.135 -0.632 -8.097 1.00 1.31 H new ATOM 143 N SER A 9 6.167 -3.447 -5.004 1.00 31.23 N ATOM 144 CA SER A 9 7.182 -4.395 -4.514 1.00 42.44 C ATOM 145 C SER A 9 6.931 -4.753 -3.037 1.00 72.21 C ATOM 146 O SER A 9 6.269 -4.002 -2.313 1.00 74.33 O ATOM 147 CB SER A 9 8.599 -3.795 -4.701 1.00 34.51 C ATOM 148 OG SER A 9 8.736 -2.551 -4.030 1.00 43.13 O ATOM 0 H SER A 9 5.691 -2.935 -4.261 1.00 31.23 H new ATOM 0 HA SER A 9 7.111 -5.314 -5.096 1.00 42.44 H new ATOM 0 HB2 SER A 9 9.344 -4.496 -4.323 1.00 34.51 H new ATOM 0 HB3 SER A 9 8.799 -3.659 -5.764 1.00 34.51 H new ATOM 0 HG SER A 9 9.642 -2.203 -4.168 1.00 43.13 H new ATOM 154 N TYR A 10 7.437 -5.931 -2.614 1.00 74.32 N ATOM 155 CA TYR A 10 7.499 -6.331 -1.195 1.00 13.31 C ATOM 156 C TYR A 10 8.865 -5.909 -0.636 1.00 2.44 C ATOM 157 O TYR A 10 9.893 -6.524 -0.957 1.00 12.34 O ATOM 158 CB TYR A 10 7.308 -7.863 -1.015 1.00 61.04 C ATOM 159 CG TYR A 10 5.974 -8.400 -1.540 1.00 32.44 C ATOM 160 CD1 TYR A 10 4.819 -8.385 -0.749 1.00 14.10 C ATOM 161 CD2 TYR A 10 5.869 -8.934 -2.826 1.00 11.55 C ATOM 162 CE1 TYR A 10 3.619 -8.876 -1.232 1.00 32.21 C ATOM 163 CE2 TYR A 10 4.674 -9.419 -3.304 1.00 71.41 C ATOM 164 CZ TYR A 10 3.559 -9.394 -2.508 1.00 24.02 C ATOM 165 OH TYR A 10 2.376 -9.879 -2.998 1.00 14.41 O ATOM 0 H TYR A 10 7.815 -6.633 -3.251 1.00 74.32 H new ATOM 0 HA TYR A 10 6.689 -5.840 -0.657 1.00 13.31 H new ATOM 0 HB2 TYR A 10 8.120 -8.381 -1.525 1.00 61.04 H new ATOM 0 HB3 TYR A 10 7.392 -8.105 0.044 1.00 61.04 H new ATOM 0 HD1 TYR A 10 4.865 -7.984 0.253 1.00 14.10 H new ATOM 0 HD2 TYR A 10 6.744 -8.967 -3.458 1.00 11.55 H new ATOM 0 HE1 TYR A 10 2.734 -8.854 -0.613 1.00 32.21 H new ATOM 0 HE2 TYR A 10 4.615 -9.819 -4.305 1.00 71.41 H new ATOM 0 HH TYR A 10 1.645 -9.628 -2.395 1.00 14.41 H new ATOM 175 N ARG A 11 8.874 -4.841 0.160 1.00 2.31 N ATOM 176 CA ARG A 11 10.086 -4.330 0.795 1.00 24.34 C ATOM 177 C ARG A 11 10.352 -5.131 2.089 1.00 50.30 C ATOM 178 O ARG A 11 9.570 -5.065 3.036 1.00 71.04 O ATOM 179 CB ARG A 11 9.919 -2.812 1.077 1.00 0.32 C ATOM 180 CG ARG A 11 11.109 -2.137 1.804 1.00 43.54 C ATOM 181 CD ARG A 11 12.445 -2.252 1.040 1.00 10.11 C ATOM 182 NE ARG A 11 12.420 -1.548 -0.262 1.00 12.30 N ATOM 183 CZ ARG A 11 12.480 -2.134 -1.476 1.00 65.00 C ATOM 184 NH1 ARG A 11 12.581 -3.449 -1.597 1.00 50.52 N ATOM 185 NH2 ARG A 11 12.470 -1.393 -2.567 1.00 0.41 N ATOM 0 H ARG A 11 8.036 -4.304 0.383 1.00 2.31 H new ATOM 0 HA ARG A 11 10.947 -4.453 0.138 1.00 24.34 H new ATOM 0 HB2 ARG A 11 9.756 -2.299 0.129 1.00 0.32 H new ATOM 0 HB3 ARG A 11 9.020 -2.668 1.676 1.00 0.32 H new ATOM 0 HG2 ARG A 11 10.878 -1.083 1.959 1.00 43.54 H new ATOM 0 HG3 ARG A 11 11.224 -2.587 2.790 1.00 43.54 H new ATOM 0 HD2 ARG A 11 13.247 -1.843 1.655 1.00 10.11 H new ATOM 0 HD3 ARG A 11 12.675 -3.305 0.875 1.00 10.11 H new ATOM 0 HE ARG A 11 12.351 -0.531 -0.239 1.00 12.30 H new ATOM 0 HH11 ARG A 11 12.615 -4.037 -0.764 1.00 50.52 H new ATOM 0 HH12 ARG A 11 12.625 -3.874 -2.523 1.00 50.52 H new ATOM 0 HH21 ARG A 11 12.417 -0.377 -2.493 1.00 0.41 H new ATOM 0 HH22 ARG A 11 12.515 -1.836 -3.485 1.00 0.41 H new ATOM 334 N ASN A 20 6.682 -7.322 7.663 1.00 13.41 N ATOM 335 CA ASN A 20 7.049 -7.126 6.239 1.00 53.20 C ATOM 336 C ASN A 20 6.347 -5.876 5.685 1.00 35.35 C ATOM 337 O ASN A 20 5.185 -5.587 6.016 1.00 1.41 O ATOM 338 CB ASN A 20 6.732 -8.387 5.387 1.00 62.44 C ATOM 339 CG ASN A 20 7.037 -8.215 3.882 1.00 32.43 C ATOM 340 OD1 ASN A 20 6.155 -7.882 3.084 1.00 42.45 O ATOM 341 ND2 ASN A 20 8.291 -8.405 3.493 1.00 42.31 N ATOM 0 HA ASN A 20 8.126 -6.972 6.178 1.00 53.20 H new ATOM 0 HB2 ASN A 20 7.309 -9.228 5.771 1.00 62.44 H new ATOM 0 HB3 ASN A 20 5.679 -8.641 5.508 1.00 62.44 H new ATOM 0 HD21 ASN A 20 8.546 -8.276 2.514 1.00 42.31 H new ATOM 0 HD22 ASN A 20 9.000 -8.680 4.173 1.00 42.31 H new ATOM 348 N VAL A 21 7.090 -5.135 4.848 1.00 65.21 N ATOM 349 CA VAL A 21 6.642 -3.887 4.226 1.00 44.33 C ATOM 350 C VAL A 21 6.229 -4.164 2.768 1.00 44.41 C ATOM 351 O VAL A 21 6.765 -5.070 2.121 1.00 54.51 O ATOM 352 CB VAL A 21 7.798 -2.819 4.243 1.00 35.10 C ATOM 353 CG1 VAL A 21 7.345 -1.484 3.636 1.00 51.12 C ATOM 354 CG2 VAL A 21 8.368 -2.618 5.665 1.00 51.33 C ATOM 0 H VAL A 21 8.039 -5.396 4.581 1.00 65.21 H new ATOM 0 HA VAL A 21 5.793 -3.498 4.788 1.00 44.33 H new ATOM 0 HB VAL A 21 8.601 -3.210 3.618 1.00 35.10 H new ATOM 0 HG11 VAL A 21 8.170 -0.772 3.665 1.00 51.12 H new ATOM 0 HG12 VAL A 21 7.037 -1.640 2.602 1.00 51.12 H new ATOM 0 HG13 VAL A 21 6.505 -1.090 4.209 1.00 51.12 H new ATOM 0 HG21 VAL A 21 9.164 -1.874 5.636 1.00 51.33 H new ATOM 0 HG22 VAL A 21 7.575 -2.276 6.330 1.00 51.33 H new ATOM 0 HG23 VAL A 21 8.768 -3.563 6.033 1.00 51.33 H new ATOM 364 N MET A 22 5.291 -3.366 2.261 1.00 70.04 N ATOM 365 CA MET A 22 4.885 -3.376 0.861 1.00 63.40 C ATOM 366 C MET A 22 4.887 -1.926 0.344 1.00 61.52 C ATOM 367 O MET A 22 4.244 -1.042 0.940 1.00 64.14 O ATOM 368 CB MET A 22 3.480 -4.003 0.731 1.00 31.41 C ATOM 369 CG MET A 22 2.947 -4.091 -0.701 1.00 51.22 C ATOM 370 SD MET A 22 1.243 -4.682 -0.796 1.00 33.30 S ATOM 371 CE MET A 22 1.340 -6.278 0.008 1.00 15.50 C ATOM 0 H MET A 22 4.784 -2.683 2.824 1.00 70.04 H new ATOM 0 HA MET A 22 5.578 -3.972 0.267 1.00 63.40 H new ATOM 0 HB2 MET A 22 3.504 -5.006 1.157 1.00 31.41 H new ATOM 0 HB3 MET A 22 2.780 -3.419 1.329 1.00 31.41 H new ATOM 0 HG2 MET A 22 3.009 -3.107 -1.165 1.00 51.22 H new ATOM 0 HG3 MET A 22 3.588 -4.757 -1.279 1.00 51.22 H new ATOM 0 HE1 MET A 22 0.749 -7.004 -0.551 1.00 15.50 H new ATOM 0 HE2 MET A 22 2.379 -6.606 0.042 1.00 15.50 H new ATOM 0 HE3 MET A 22 0.951 -6.198 1.023 1.00 15.50 H new ATOM 381 N ILE A 23 5.667 -1.679 -0.721 1.00 33.30 N ATOM 382 CA ILE A 23 5.665 -0.402 -1.444 1.00 65.32 C ATOM 383 C ILE A 23 4.481 -0.415 -2.428 1.00 73.32 C ATOM 384 O ILE A 23 4.404 -1.282 -3.305 1.00 63.20 O ATOM 385 CB ILE A 23 7.018 -0.153 -2.219 1.00 63.14 C ATOM 386 CG1 ILE A 23 8.247 -0.228 -1.249 1.00 5.00 C ATOM 387 CG2 ILE A 23 6.996 1.204 -2.983 1.00 31.42 C ATOM 388 CD1 ILE A 23 8.242 0.789 -0.112 1.00 11.33 C ATOM 0 H ILE A 23 6.318 -2.364 -1.104 1.00 33.30 H new ATOM 0 HA ILE A 23 5.564 0.411 -0.725 1.00 65.32 H new ATOM 0 HB ILE A 23 7.122 -0.948 -2.958 1.00 63.14 H new ATOM 0 HG12 ILE A 23 8.289 -1.229 -0.819 1.00 5.00 H new ATOM 0 HG13 ILE A 23 9.158 -0.092 -1.832 1.00 5.00 H new ATOM 0 HG21 ILE A 23 7.943 1.343 -3.505 1.00 31.42 H new ATOM 0 HG22 ILE A 23 6.180 1.202 -3.706 1.00 31.42 H new ATOM 0 HG23 ILE A 23 6.850 2.019 -2.274 1.00 31.42 H new ATOM 0 HD11 ILE A 23 9.133 0.654 0.501 1.00 11.33 H new ATOM 0 HD12 ILE A 23 8.236 1.797 -0.526 1.00 11.33 H new ATOM 0 HD13 ILE A 23 7.354 0.643 0.503 1.00 11.33 H new ATOM 400 N ILE A 24 3.546 0.521 -2.238 1.00 52.11 N ATOM 401 CA ILE A 24 2.298 0.620 -3.020 1.00 24.23 C ATOM 402 C ILE A 24 2.239 2.005 -3.682 1.00 14.52 C ATOM 403 O ILE A 24 2.860 2.942 -3.192 1.00 71.44 O ATOM 404 CB ILE A 24 1.043 0.410 -2.077 1.00 43.31 C ATOM 405 CG1 ILE A 24 1.125 -0.964 -1.340 1.00 64.44 C ATOM 406 CG2 ILE A 24 -0.300 0.549 -2.842 1.00 53.25 C ATOM 407 CD1 ILE A 24 0.048 -1.188 -0.292 1.00 70.53 C ATOM 0 H ILE A 24 3.631 1.246 -1.526 1.00 52.11 H new ATOM 0 HA ILE A 24 2.282 -0.155 -3.786 1.00 24.23 H new ATOM 0 HB ILE A 24 1.068 1.205 -1.332 1.00 43.31 H new ATOM 0 HG12 ILE A 24 1.064 -1.762 -2.080 1.00 64.44 H new ATOM 0 HG13 ILE A 24 2.101 -1.047 -0.862 1.00 64.44 H new ATOM 0 HG21 ILE A 24 -1.130 0.396 -2.152 1.00 53.25 H new ATOM 0 HG22 ILE A 24 -0.369 1.546 -3.278 1.00 53.25 H new ATOM 0 HG23 ILE A 24 -0.346 -0.197 -3.635 1.00 53.25 H new ATOM 0 HD11 ILE A 24 0.185 -2.167 0.167 1.00 70.53 H new ATOM 0 HD12 ILE A 24 0.119 -0.416 0.474 1.00 70.53 H new ATOM 0 HD13 ILE A 24 -0.934 -1.142 -0.764 1.00 70.53 H new ATOM 419 N LYS A 25 1.536 2.119 -4.812 1.00 75.11 N ATOM 420 CA LYS A 25 1.183 3.418 -5.410 1.00 41.14 C ATOM 421 C LYS A 25 -0.347 3.508 -5.554 1.00 12.24 C ATOM 422 O LYS A 25 -0.920 2.763 -6.363 1.00 51.35 O ATOM 423 CB LYS A 25 1.854 3.615 -6.794 1.00 11.42 C ATOM 424 CG LYS A 25 1.357 4.871 -7.553 1.00 4.43 C ATOM 425 CD LYS A 25 1.961 5.027 -8.962 1.00 32.44 C ATOM 426 CE LYS A 25 1.217 6.093 -9.785 1.00 61.31 C ATOM 427 NZ LYS A 25 1.162 7.408 -9.088 1.00 62.12 N ATOM 0 H LYS A 25 1.194 1.317 -5.341 1.00 75.11 H new ATOM 0 HA LYS A 25 1.547 4.207 -4.753 1.00 41.14 H new ATOM 0 HB2 LYS A 25 2.933 3.687 -6.658 1.00 11.42 H new ATOM 0 HB3 LYS A 25 1.668 2.733 -7.407 1.00 11.42 H new ATOM 0 HG2 LYS A 25 0.271 4.827 -7.636 1.00 4.43 H new ATOM 0 HG3 LYS A 25 1.596 5.757 -6.965 1.00 4.43 H new ATOM 0 HD2 LYS A 25 3.013 5.300 -8.879 1.00 32.44 H new ATOM 0 HD3 LYS A 25 1.920 4.071 -9.483 1.00 32.44 H new ATOM 0 HE2 LYS A 25 1.711 6.215 -10.749 1.00 61.31 H new ATOM 0 HE3 LYS A 25 0.203 5.749 -9.988 1.00 61.31 H new ATOM 0 HZ1 LYS A 25 0.790 8.130 -9.738 1.00 62.12 H new ATOM 0 HZ2 LYS A 25 0.540 7.335 -8.258 1.00 62.12 H new ATOM 0 HZ3 LYS A 25 2.118 7.678 -8.781 1.00 62.12 H new ATOM 441 N PRO A 26 -1.039 4.385 -4.756 1.00 25.05 N ATOM 442 CA PRO A 26 -2.451 4.735 -5.010 1.00 35.24 C ATOM 443 C PRO A 26 -2.600 5.369 -6.414 1.00 44.52 C ATOM 444 O PRO A 26 -1.879 6.318 -6.731 1.00 41.53 O ATOM 445 CB PRO A 26 -2.800 5.747 -3.879 1.00 15.12 C ATOM 446 CG PRO A 26 -1.745 5.555 -2.826 1.00 55.14 C ATOM 447 CD PRO A 26 -0.507 5.088 -3.558 1.00 71.22 C ATOM 0 HA PRO A 26 -3.118 3.873 -5.001 1.00 35.24 H new ATOM 0 HB2 PRO A 26 -2.798 6.770 -4.254 1.00 15.12 H new ATOM 0 HB3 PRO A 26 -3.795 5.557 -3.476 1.00 15.12 H new ATOM 0 HG2 PRO A 26 -1.554 6.485 -2.290 1.00 55.14 H new ATOM 0 HG3 PRO A 26 -2.061 4.820 -2.086 1.00 55.14 H new ATOM 0 HD2 PRO A 26 0.131 5.926 -3.838 1.00 71.22 H new ATOM 0 HD3 PRO A 26 0.095 4.422 -2.939 1.00 71.22 H new ATOM 455 N LEU A 27 -3.497 4.810 -7.246 1.00 40.53 N ATOM 456 CA LEU A 27 -3.761 5.301 -8.619 1.00 43.00 C ATOM 457 C LEU A 27 -4.317 6.733 -8.603 1.00 1.42 C ATOM 458 O LEU A 27 -4.049 7.521 -9.516 1.00 11.52 O ATOM 459 CB LEU A 27 -4.749 4.358 -9.345 1.00 34.42 C ATOM 460 CG LEU A 27 -4.224 2.919 -9.631 1.00 45.44 C ATOM 461 CD1 LEU A 27 -5.323 2.057 -10.265 1.00 31.55 C ATOM 462 CD2 LEU A 27 -2.949 2.949 -10.516 1.00 24.31 C ATOM 0 H LEU A 27 -4.063 4.002 -6.988 1.00 40.53 H new ATOM 0 HA LEU A 27 -2.813 5.311 -9.158 1.00 43.00 H new ATOM 0 HB2 LEU A 27 -5.656 4.281 -8.746 1.00 34.42 H new ATOM 0 HB3 LEU A 27 -5.031 4.817 -10.293 1.00 34.42 H new ATOM 0 HG LEU A 27 -3.948 2.466 -8.679 1.00 45.44 H new ATOM 0 HD11 LEU A 27 -4.935 1.056 -10.457 1.00 31.55 H new ATOM 0 HD12 LEU A 27 -6.173 1.993 -9.585 1.00 31.55 H new ATOM 0 HD13 LEU A 27 -5.643 2.508 -11.204 1.00 31.55 H new ATOM 0 HD21 LEU A 27 -2.608 1.930 -10.697 1.00 24.31 H new ATOM 0 HD22 LEU A 27 -3.178 3.430 -11.467 1.00 24.31 H new ATOM 0 HD23 LEU A 27 -2.165 3.509 -10.006 1.00 24.31 H new ATOM 474 N ASP A 28 -5.097 7.041 -7.547 1.00 51.22 N ATOM 475 CA ASP A 28 -5.681 8.373 -7.317 1.00 4.12 C ATOM 476 C ASP A 28 -4.587 9.438 -7.095 1.00 50.40 C ATOM 477 O ASP A 28 -4.758 10.614 -7.441 1.00 63.23 O ATOM 478 CB ASP A 28 -6.624 8.305 -6.080 1.00 32.44 C ATOM 479 CG ASP A 28 -7.399 9.606 -5.824 1.00 4.43 C ATOM 480 OD1 ASP A 28 -8.336 9.899 -6.598 1.00 1.11 O ATOM 481 OD2 ASP A 28 -7.076 10.346 -4.864 1.00 1.40 O ATOM 0 H ASP A 28 -5.340 6.364 -6.824 1.00 51.22 H new ATOM 0 HA ASP A 28 -6.247 8.665 -8.202 1.00 4.12 H new ATOM 0 HB2 ASP A 28 -7.335 7.490 -6.220 1.00 32.44 H new ATOM 0 HB3 ASP A 28 -6.033 8.064 -5.196 1.00 32.44 H new ATOM 486 N VAL A 29 -3.439 8.985 -6.572 1.00 4.23 N ATOM 487 CA VAL A 29 -2.351 9.847 -6.100 1.00 42.32 C ATOM 488 C VAL A 29 -1.124 9.768 -7.034 1.00 54.31 C ATOM 489 O VAL A 29 -0.658 8.679 -7.381 1.00 72.00 O ATOM 490 CB VAL A 29 -1.942 9.419 -4.649 1.00 2.40 C ATOM 491 CG1 VAL A 29 -0.714 10.196 -4.155 1.00 14.24 C ATOM 492 CG2 VAL A 29 -3.129 9.573 -3.662 1.00 61.31 C ATOM 0 H VAL A 29 -3.239 7.991 -6.464 1.00 4.23 H new ATOM 0 HA VAL A 29 -2.705 10.878 -6.099 1.00 42.32 H new ATOM 0 HB VAL A 29 -1.671 8.364 -4.688 1.00 2.40 H new ATOM 0 HG11 VAL A 29 -0.460 9.872 -3.146 1.00 14.24 H new ATOM 0 HG12 VAL A 29 0.129 10.006 -4.820 1.00 14.24 H new ATOM 0 HG13 VAL A 29 -0.937 11.263 -4.148 1.00 14.24 H new ATOM 0 HG21 VAL A 29 -2.814 9.268 -2.664 1.00 61.31 H new ATOM 0 HG22 VAL A 29 -3.450 10.614 -3.639 1.00 61.31 H new ATOM 0 HG23 VAL A 29 -3.958 8.945 -3.989 1.00 61.31 H new ATOM 502 N ASN A 30 -0.599 10.945 -7.410 1.00 51.12 N ATOM 503 CA ASN A 30 0.608 11.086 -8.256 1.00 71.33 C ATOM 504 C ASN A 30 1.621 12.048 -7.598 1.00 5.42 C ATOM 505 O ASN A 30 2.577 12.488 -8.252 1.00 35.21 O ATOM 506 CB ASN A 30 0.207 11.596 -9.674 1.00 63.22 C ATOM 507 CG ASN A 30 -0.689 10.627 -10.465 1.00 2.52 C ATOM 508 OD1 ASN A 30 -0.595 9.404 -10.323 1.00 35.21 O ATOM 509 ND2 ASN A 30 -1.555 11.166 -11.315 1.00 5.11 N ATOM 0 H ASN A 30 -1.003 11.840 -7.134 1.00 51.12 H new ATOM 0 HA ASN A 30 1.083 10.110 -8.357 1.00 71.33 H new ATOM 0 HB2 ASN A 30 -0.311 12.550 -9.571 1.00 63.22 H new ATOM 0 HB3 ASN A 30 1.113 11.786 -10.249 1.00 63.22 H new ATOM 0 HD21 ASN A 30 -2.164 10.566 -11.871 1.00 5.11 H new ATOM 0 HD22 ASN A 30 -1.611 12.180 -11.412 1.00 5.11 H new ATOM 516 N SER A 31 1.445 12.337 -6.293 1.00 1.41 N ATOM 517 CA SER A 31 2.276 13.319 -5.557 1.00 64.32 C ATOM 518 C SER A 31 2.523 12.862 -4.108 1.00 32.23 C ATOM 519 O SER A 31 1.715 12.126 -3.540 1.00 74.20 O ATOM 520 CB SER A 31 1.601 14.707 -5.592 1.00 33.33 C ATOM 521 OG SER A 31 1.418 15.156 -6.925 1.00 32.33 O ATOM 0 H SER A 31 0.725 11.899 -5.718 1.00 1.41 H new ATOM 0 HA SER A 31 3.247 13.389 -6.047 1.00 64.32 H new ATOM 0 HB2 SER A 31 0.637 14.658 -5.087 1.00 33.33 H new ATOM 0 HB3 SER A 31 2.212 15.425 -5.044 1.00 33.33 H new ATOM 0 HG SER A 31 0.987 16.036 -6.917 1.00 32.33 H new ATOM 527 N ARG A 32 3.647 13.335 -3.527 1.00 33.12 N ATOM 528 CA ARG A 32 4.115 12.945 -2.180 1.00 52.33 C ATOM 529 C ARG A 32 3.093 13.317 -1.086 1.00 22.21 C ATOM 530 O ARG A 32 2.740 12.465 -0.273 1.00 64.42 O ATOM 531 CB ARG A 32 5.489 13.602 -1.869 1.00 13.14 C ATOM 532 CG ARG A 32 6.059 13.295 -0.463 1.00 43.41 C ATOM 533 CD ARG A 32 7.447 13.912 -0.226 1.00 42.22 C ATOM 534 NE ARG A 32 7.871 13.790 1.182 1.00 71.54 N ATOM 535 CZ ARG A 32 8.665 14.659 1.828 1.00 30.14 C ATOM 536 NH1 ARG A 32 9.159 15.727 1.215 1.00 20.15 N ATOM 537 NH2 ARG A 32 8.943 14.465 3.103 1.00 73.11 N ATOM 0 H ARG A 32 4.262 14.007 -3.986 1.00 33.12 H new ATOM 0 HA ARG A 32 4.226 11.861 -2.178 1.00 52.33 H new ATOM 0 HB2 ARG A 32 6.210 13.272 -2.617 1.00 13.14 H new ATOM 0 HB3 ARG A 32 5.391 14.682 -1.977 1.00 13.14 H new ATOM 0 HG2 ARG A 32 5.368 13.670 0.292 1.00 43.41 H new ATOM 0 HG3 ARG A 32 6.121 12.215 -0.331 1.00 43.41 H new ATOM 0 HD2 ARG A 32 8.177 13.420 -0.869 1.00 42.22 H new ATOM 0 HD3 ARG A 32 7.430 14.964 -0.510 1.00 42.22 H new ATOM 0 HE ARG A 32 7.534 12.982 1.706 1.00 71.54 H new ATOM 0 HH11 ARG A 32 8.937 15.900 0.235 1.00 20.15 H new ATOM 0 HH12 ARG A 32 9.760 16.375 1.724 1.00 20.15 H new ATOM 0 HH21 ARG A 32 8.555 13.658 3.592 1.00 73.11 H new ATOM 0 HH22 ARG A 32 9.546 15.122 3.599 1.00 73.11 H new ATOM 551 N GLU A 33 2.620 14.588 -1.084 1.00 11.15 N ATOM 552 CA GLU A 33 1.729 15.112 -0.008 1.00 4.11 C ATOM 553 C GLU A 33 0.305 14.554 -0.150 1.00 10.53 C ATOM 554 O GLU A 33 -0.395 14.363 0.851 1.00 23.43 O ATOM 555 CB GLU A 33 1.696 16.658 0.013 1.00 21.24 C ATOM 556 CG GLU A 33 3.079 17.326 0.105 1.00 75.20 C ATOM 557 CD GLU A 33 2.977 18.857 0.116 1.00 14.31 C ATOM 558 OE1 GLU A 33 2.399 19.420 -0.838 1.00 70.41 O ATOM 559 OE2 GLU A 33 3.464 19.505 1.068 1.00 64.44 O ATOM 0 H GLU A 33 2.837 15.270 -1.811 1.00 11.15 H new ATOM 0 HA GLU A 33 2.146 14.774 0.941 1.00 4.11 H new ATOM 0 HB2 GLU A 33 1.196 17.010 -0.889 1.00 21.24 H new ATOM 0 HB3 GLU A 33 1.092 16.984 0.860 1.00 21.24 H new ATOM 0 HG2 GLU A 33 3.585 16.990 1.010 1.00 75.20 H new ATOM 0 HG3 GLU A 33 3.692 17.009 -0.739 1.00 75.20 H new ATOM 566 N GLU A 34 -0.098 14.277 -1.401 1.00 53.31 N ATOM 567 CA GLU A 34 -1.384 13.619 -1.706 1.00 32.13 C ATOM 568 C GLU A 34 -1.390 12.162 -1.202 1.00 20.44 C ATOM 569 O GLU A 34 -2.443 11.582 -0.946 1.00 43.24 O ATOM 570 CB GLU A 34 -1.676 13.681 -3.230 1.00 75.15 C ATOM 571 CG GLU A 34 -1.909 15.106 -3.770 1.00 0.51 C ATOM 572 CD GLU A 34 -3.148 15.786 -3.158 1.00 13.45 C ATOM 573 OE1 GLU A 34 -4.277 15.519 -3.624 1.00 34.53 O ATOM 574 OE2 GLU A 34 -3.010 16.569 -2.192 1.00 4.54 O ATOM 0 H GLU A 34 0.455 14.501 -2.228 1.00 53.31 H new ATOM 0 HA GLU A 34 -2.176 14.155 -1.183 1.00 32.13 H new ATOM 0 HB2 GLU A 34 -0.840 13.233 -3.767 1.00 75.15 H new ATOM 0 HB3 GLU A 34 -2.556 13.074 -3.445 1.00 75.15 H new ATOM 0 HG2 GLU A 34 -1.029 15.715 -3.565 1.00 0.51 H new ATOM 0 HG3 GLU A 34 -2.022 15.064 -4.853 1.00 0.51 H new ATOM 581 N ALA A 35 -0.191 11.576 -1.088 1.00 14.52 N ATOM 582 CA ALA A 35 0.012 10.252 -0.481 1.00 52.41 C ATOM 583 C ALA A 35 0.195 10.385 1.045 1.00 24.41 C ATOM 584 O ALA A 35 -0.185 9.495 1.816 1.00 74.20 O ATOM 585 CB ALA A 35 1.241 9.601 -1.134 1.00 20.44 C ATOM 0 H ALA A 35 0.672 12.009 -1.416 1.00 14.52 H new ATOM 0 HA ALA A 35 -0.861 9.622 -0.650 1.00 52.41 H new ATOM 0 HB1 ALA A 35 1.407 8.617 -0.696 1.00 20.44 H new ATOM 0 HB2 ALA A 35 1.071 9.497 -2.206 1.00 20.44 H new ATOM 0 HB3 ALA A 35 2.117 10.227 -0.964 1.00 20.44 H new ATOM 591 N SER A 36 0.767 11.530 1.459 1.00 12.32 N ATOM 592 CA SER A 36 1.167 11.796 2.851 1.00 32.41 C ATOM 593 C SER A 36 -0.006 12.356 3.682 1.00 63.34 C ATOM 594 O SER A 36 0.112 12.525 4.898 1.00 42.44 O ATOM 595 CB SER A 36 2.386 12.753 2.859 1.00 1.43 C ATOM 596 OG SER A 36 3.001 12.839 4.132 1.00 10.23 O ATOM 0 H SER A 36 0.967 12.306 0.828 1.00 12.32 H new ATOM 0 HA SER A 36 1.455 10.857 3.323 1.00 32.41 H new ATOM 0 HB2 SER A 36 3.118 12.409 2.128 1.00 1.43 H new ATOM 0 HB3 SER A 36 2.065 13.747 2.546 1.00 1.43 H new ATOM 0 HG SER A 36 2.329 12.693 4.830 1.00 10.23 H new ATOM 602 N LYS A 37 -1.136 12.653 3.023 1.00 70.23 N ATOM 603 CA LYS A 37 -2.405 12.936 3.718 1.00 1.31 C ATOM 604 C LYS A 37 -3.105 11.605 4.071 1.00 30.13 C ATOM 605 O LYS A 37 -3.971 11.560 4.954 1.00 34.34 O ATOM 606 CB LYS A 37 -3.328 13.830 2.844 1.00 63.11 C ATOM 607 CG LYS A 37 -3.830 13.150 1.553 1.00 2.52 C ATOM 608 CD LYS A 37 -4.671 14.084 0.653 1.00 21.52 C ATOM 609 CE LYS A 37 -5.202 13.362 -0.597 1.00 42.12 C ATOM 610 NZ LYS A 37 -5.921 14.279 -1.516 1.00 2.10 N ATOM 0 H LYS A 37 -1.199 12.704 2.006 1.00 70.23 H new ATOM 0 HA LYS A 37 -2.192 13.482 4.637 1.00 1.31 H new ATOM 0 HB2 LYS A 37 -4.189 14.135 3.439 1.00 63.11 H new ATOM 0 HB3 LYS A 37 -2.788 14.738 2.576 1.00 63.11 H new ATOM 0 HG2 LYS A 37 -2.973 12.787 0.986 1.00 2.52 H new ATOM 0 HG3 LYS A 37 -4.429 12.279 1.819 1.00 2.52 H new ATOM 0 HD2 LYS A 37 -5.510 14.480 1.226 1.00 21.52 H new ATOM 0 HD3 LYS A 37 -4.063 14.936 0.348 1.00 21.52 H new ATOM 0 HE2 LYS A 37 -4.370 12.899 -1.127 1.00 42.12 H new ATOM 0 HE3 LYS A 37 -5.872 12.558 -0.292 1.00 42.12 H new ATOM 0 HZ1 LYS A 37 -6.679 13.759 -2.002 1.00 2.10 H new ATOM 0 HZ2 LYS A 37 -6.333 15.063 -0.972 1.00 2.10 H new ATOM 0 HZ3 LYS A 37 -5.255 14.658 -2.219 1.00 2.10 H new ATOM 624 N LEU A 38 -2.702 10.517 3.372 1.00 2.45 N ATOM 625 CA LEU A 38 -3.279 9.171 3.551 1.00 70.25 C ATOM 626 C LEU A 38 -2.553 8.388 4.669 1.00 14.13 C ATOM 627 O LEU A 38 -2.825 7.195 4.858 1.00 44.21 O ATOM 628 CB LEU A 38 -3.210 8.371 2.215 1.00 42.32 C ATOM 629 CG LEU A 38 -3.822 9.053 0.948 1.00 43.13 C ATOM 630 CD1 LEU A 38 -3.723 8.127 -0.284 1.00 13.11 C ATOM 631 CD2 LEU A 38 -5.277 9.520 1.189 1.00 71.22 C ATOM 0 H LEU A 38 -1.965 10.553 2.667 1.00 2.45 H new ATOM 0 HA LEU A 38 -4.321 9.295 3.845 1.00 70.25 H new ATOM 0 HB2 LEU A 38 -2.164 8.147 2.007 1.00 42.32 H new ATOM 0 HB3 LEU A 38 -3.716 7.417 2.364 1.00 42.32 H new ATOM 0 HG LEU A 38 -3.232 9.946 0.743 1.00 43.13 H new ATOM 0 HD11 LEU A 38 -4.156 8.627 -1.150 1.00 13.11 H new ATOM 0 HD12 LEU A 38 -2.676 7.897 -0.483 1.00 13.11 H new ATOM 0 HD13 LEU A 38 -4.267 7.203 -0.089 1.00 13.11 H new ATOM 0 HD21 LEU A 38 -5.664 9.988 0.284 1.00 71.22 H new ATOM 0 HD22 LEU A 38 -5.897 8.661 1.447 1.00 71.22 H new ATOM 0 HD23 LEU A 38 -5.297 10.240 2.007 1.00 71.22 H new ATOM 643 N ILE A 39 -1.622 9.059 5.391 1.00 35.21 N ATOM 644 CA ILE A 39 -0.906 8.456 6.531 1.00 63.42 C ATOM 645 C ILE A 39 -1.909 8.102 7.644 1.00 75.20 C ATOM 646 O ILE A 39 -2.613 8.977 8.151 1.00 12.11 O ATOM 647 CB ILE A 39 0.217 9.399 7.136 1.00 70.21 C ATOM 648 CG1 ILE A 39 1.248 9.841 6.052 1.00 70.11 C ATOM 649 CG2 ILE A 39 0.940 8.724 8.335 1.00 25.21 C ATOM 650 CD1 ILE A 39 1.915 8.722 5.290 1.00 13.40 C ATOM 0 H ILE A 39 -1.352 10.024 5.198 1.00 35.21 H new ATOM 0 HA ILE A 39 -0.411 7.563 6.148 1.00 63.42 H new ATOM 0 HB ILE A 39 -0.285 10.294 7.502 1.00 70.21 H new ATOM 0 HG12 ILE A 39 0.741 10.491 5.338 1.00 70.11 H new ATOM 0 HG13 ILE A 39 2.021 10.439 6.534 1.00 70.11 H new ATOM 0 HG21 ILE A 39 1.703 9.397 8.726 1.00 25.21 H new ATOM 0 HG22 ILE A 39 0.216 8.503 9.119 1.00 25.21 H new ATOM 0 HG23 ILE A 39 1.409 7.798 8.003 1.00 25.21 H new ATOM 0 HD11 ILE A 39 2.611 9.141 4.563 1.00 13.40 H new ATOM 0 HD12 ILE A 39 2.458 8.082 5.985 1.00 13.40 H new ATOM 0 HD13 ILE A 39 1.158 8.134 4.770 1.00 13.40 H new ATOM 662 N GLY A 40 -1.985 6.813 7.979 1.00 11.42 N ATOM 663 CA GLY A 40 -2.855 6.330 9.044 1.00 30.12 C ATOM 664 C GLY A 40 -4.085 5.610 8.522 1.00 12.03 C ATOM 665 O GLY A 40 -4.878 5.087 9.318 1.00 14.22 O ATOM 0 H GLY A 40 -1.446 6.079 7.519 1.00 11.42 H new ATOM 0 HA2 GLY A 40 -2.292 5.655 9.688 1.00 30.12 H new ATOM 0 HA3 GLY A 40 -3.168 7.173 9.661 1.00 30.12 H new ATOM 669 N ARG A 41 -4.262 5.593 7.183 1.00 70.00 N ATOM 670 CA ARG A 41 -5.301 4.779 6.540 1.00 74.22 C ATOM 671 C ARG A 41 -4.810 3.332 6.436 1.00 2.13 C ATOM 672 O ARG A 41 -3.601 3.076 6.325 1.00 10.54 O ATOM 673 CB ARG A 41 -5.689 5.329 5.138 1.00 61.34 C ATOM 674 CG ARG A 41 -6.308 6.740 5.169 1.00 31.32 C ATOM 675 CD ARG A 41 -6.869 7.193 3.807 1.00 25.31 C ATOM 676 NE ARG A 41 -7.355 8.591 3.861 1.00 62.12 N ATOM 677 CZ ARG A 41 -8.464 9.069 3.278 1.00 12.15 C ATOM 678 NH1 ARG A 41 -9.258 8.288 2.567 1.00 11.45 N ATOM 679 NH2 ARG A 41 -8.775 10.342 3.418 1.00 52.34 N ATOM 0 H ARG A 41 -3.695 6.136 6.531 1.00 70.00 H new ATOM 0 HA ARG A 41 -6.201 4.821 7.154 1.00 74.22 H new ATOM 0 HB2 ARG A 41 -4.800 5.347 4.507 1.00 61.34 H new ATOM 0 HB3 ARG A 41 -6.397 4.643 4.673 1.00 61.34 H new ATOM 0 HG2 ARG A 41 -7.109 6.761 5.908 1.00 31.32 H new ATOM 0 HG3 ARG A 41 -5.552 7.453 5.497 1.00 31.32 H new ATOM 0 HD2 ARG A 41 -6.094 7.105 3.045 1.00 25.31 H new ATOM 0 HD3 ARG A 41 -7.685 6.534 3.510 1.00 25.31 H new ATOM 0 HE ARG A 41 -6.792 9.254 4.393 1.00 62.12 H new ATOM 0 HH11 ARG A 41 -9.032 7.300 2.453 1.00 11.45 H new ATOM 0 HH12 ARG A 41 -10.097 8.673 2.132 1.00 11.45 H new ATOM 0 HH21 ARG A 41 -8.174 10.957 3.967 1.00 52.34 H new ATOM 0 HH22 ARG A 41 -9.617 10.713 2.977 1.00 52.34 H new ATOM 693 N LEU A 42 -5.763 2.408 6.465 1.00 13.31 N ATOM 694 CA LEU A 42 -5.508 0.970 6.406 1.00 31.41 C ATOM 695 C LEU A 42 -5.504 0.524 4.943 1.00 34.54 C ATOM 696 O LEU A 42 -6.028 1.218 4.070 1.00 21.34 O ATOM 697 CB LEU A 42 -6.610 0.223 7.198 1.00 15.04 C ATOM 698 CG LEU A 42 -6.390 -1.297 7.476 1.00 21.33 C ATOM 699 CD1 LEU A 42 -5.104 -1.533 8.295 1.00 22.04 C ATOM 700 CD2 LEU A 42 -7.618 -1.904 8.179 1.00 12.43 C ATOM 0 H LEU A 42 -6.754 2.640 6.531 1.00 13.31 H new ATOM 0 HA LEU A 42 -4.540 0.740 6.850 1.00 31.41 H new ATOM 0 HB2 LEU A 42 -6.735 0.726 8.157 1.00 15.04 H new ATOM 0 HB3 LEU A 42 -7.549 0.334 6.655 1.00 15.04 H new ATOM 0 HG LEU A 42 -6.266 -1.802 6.518 1.00 21.33 H new ATOM 0 HD11 LEU A 42 -4.977 -2.601 8.473 1.00 22.04 H new ATOM 0 HD12 LEU A 42 -4.245 -1.153 7.742 1.00 22.04 H new ATOM 0 HD13 LEU A 42 -5.180 -1.012 9.250 1.00 22.04 H new ATOM 0 HD21 LEU A 42 -7.444 -2.964 8.364 1.00 12.43 H new ATOM 0 HD22 LEU A 42 -7.784 -1.393 9.127 1.00 12.43 H new ATOM 0 HD23 LEU A 42 -8.496 -1.785 7.544 1.00 12.43 H new ATOM 712 N VAL A 43 -4.886 -0.624 4.691 1.00 51.32 N ATOM 713 CA VAL A 43 -4.787 -1.230 3.371 1.00 51.35 C ATOM 714 C VAL A 43 -5.267 -2.685 3.493 1.00 3.14 C ATOM 715 O VAL A 43 -4.649 -3.493 4.184 1.00 65.01 O ATOM 716 CB VAL A 43 -3.309 -1.180 2.824 1.00 62.42 C ATOM 717 CG1 VAL A 43 -3.213 -1.848 1.446 1.00 23.45 C ATOM 718 CG2 VAL A 43 -2.761 0.275 2.773 1.00 13.54 C ATOM 0 H VAL A 43 -4.428 -1.172 5.419 1.00 51.32 H new ATOM 0 HA VAL A 43 -5.404 -0.677 2.663 1.00 51.35 H new ATOM 0 HB VAL A 43 -2.685 -1.739 3.521 1.00 62.42 H new ATOM 0 HG11 VAL A 43 -2.184 -1.801 1.090 1.00 23.45 H new ATOM 0 HG12 VAL A 43 -3.522 -2.890 1.525 1.00 23.45 H new ATOM 0 HG13 VAL A 43 -3.864 -1.328 0.743 1.00 23.45 H new ATOM 0 HG21 VAL A 43 -1.740 0.266 2.391 1.00 13.54 H new ATOM 0 HG22 VAL A 43 -3.389 0.878 2.117 1.00 13.54 H new ATOM 0 HG23 VAL A 43 -2.769 0.702 3.776 1.00 13.54 H new ATOM 728 N LEU A 44 -6.384 -2.984 2.830 1.00 63.21 N ATOM 729 CA LEU A 44 -7.017 -4.304 2.816 1.00 64.44 C ATOM 730 C LEU A 44 -6.603 -5.038 1.536 1.00 41.01 C ATOM 731 O LEU A 44 -7.013 -4.656 0.431 1.00 20.25 O ATOM 732 CB LEU A 44 -8.560 -4.136 2.877 1.00 71.04 C ATOM 733 CG LEU A 44 -9.128 -3.417 4.140 1.00 45.05 C ATOM 734 CD1 LEU A 44 -10.658 -3.253 4.051 1.00 51.00 C ATOM 735 CD2 LEU A 44 -8.731 -4.159 5.430 1.00 1.43 C ATOM 0 H LEU A 44 -6.888 -2.295 2.272 1.00 63.21 H new ATOM 0 HA LEU A 44 -6.698 -4.887 3.680 1.00 64.44 H new ATOM 0 HB2 LEU A 44 -8.879 -3.581 1.995 1.00 71.04 H new ATOM 0 HB3 LEU A 44 -9.015 -5.125 2.813 1.00 71.04 H new ATOM 0 HG LEU A 44 -8.686 -2.421 4.175 1.00 45.05 H new ATOM 0 HD11 LEU A 44 -11.023 -2.749 4.946 1.00 51.00 H new ATOM 0 HD12 LEU A 44 -10.910 -2.660 3.172 1.00 51.00 H new ATOM 0 HD13 LEU A 44 -11.125 -4.235 3.972 1.00 51.00 H new ATOM 0 HD21 LEU A 44 -9.141 -3.634 6.293 1.00 1.43 H new ATOM 0 HD22 LEU A 44 -9.126 -5.175 5.402 1.00 1.43 H new ATOM 0 HD23 LEU A 44 -7.644 -4.194 5.510 1.00 1.43 H new ATOM 747 N TRP A 45 -5.757 -6.062 1.687 1.00 12.21 N ATOM 748 CA TRP A 45 -5.241 -6.853 0.565 1.00 40.13 C ATOM 749 C TRP A 45 -5.080 -8.319 0.992 1.00 23.12 C ATOM 750 O TRP A 45 -4.366 -8.605 1.946 1.00 51.51 O ATOM 751 CB TRP A 45 -3.884 -6.274 0.094 1.00 51.33 C ATOM 752 CG TRP A 45 -3.303 -7.011 -1.085 1.00 3.40 C ATOM 753 CD1 TRP A 45 -3.665 -6.874 -2.394 1.00 34.21 C ATOM 754 CD2 TRP A 45 -2.286 -8.025 -1.059 1.00 53.42 C ATOM 755 NE1 TRP A 45 -2.933 -7.717 -3.176 1.00 23.04 N ATOM 756 CE2 TRP A 45 -2.085 -8.437 -2.383 1.00 34.43 C ATOM 757 CE3 TRP A 45 -1.533 -8.616 -0.052 1.00 24.33 C ATOM 758 CZ2 TRP A 45 -1.167 -9.406 -2.728 1.00 74.42 C ATOM 759 CZ3 TRP A 45 -0.615 -9.587 -0.396 1.00 43.10 C ATOM 760 CH2 TRP A 45 -0.442 -9.974 -1.723 1.00 74.53 C ATOM 0 H TRP A 45 -5.409 -6.367 2.596 1.00 12.21 H new ATOM 0 HA TRP A 45 -5.947 -6.806 -0.264 1.00 40.13 H new ATOM 0 HB2 TRP A 45 -4.016 -5.225 -0.170 1.00 51.33 H new ATOM 0 HB3 TRP A 45 -3.175 -6.308 0.921 1.00 51.33 H new ATOM 0 HD1 TRP A 45 -4.422 -6.195 -2.758 1.00 34.21 H new ATOM 0 HE1 TRP A 45 -3.007 -7.797 -4.190 1.00 23.04 H new ATOM 0 HE3 TRP A 45 -1.664 -8.321 0.979 1.00 24.33 H new ATOM 0 HZ2 TRP A 45 -1.027 -9.704 -3.757 1.00 74.42 H new ATOM 0 HZ3 TRP A 45 -0.021 -10.054 0.376 1.00 43.10 H new ATOM 0 HH2 TRP A 45 0.281 -10.740 -1.960 1.00 74.53 H new ATOM 771 N LYS A 46 -5.727 -9.241 0.264 1.00 52.00 N ATOM 772 CA LYS A 46 -5.622 -10.687 0.526 1.00 33.14 C ATOM 773 C LYS A 46 -4.426 -11.269 -0.246 1.00 41.01 C ATOM 774 O LYS A 46 -4.231 -10.944 -1.421 1.00 61.21 O ATOM 775 CB LYS A 46 -6.940 -11.395 0.124 1.00 53.12 C ATOM 776 CG LYS A 46 -6.983 -12.919 0.395 1.00 53.14 C ATOM 777 CD LYS A 46 -8.328 -13.570 -0.005 1.00 34.41 C ATOM 778 CE LYS A 46 -8.632 -13.461 -1.517 1.00 0.10 C ATOM 779 NZ LYS A 46 -7.619 -14.168 -2.337 1.00 40.32 N ATOM 0 H LYS A 46 -6.336 -9.008 -0.520 1.00 52.00 H new ATOM 0 HA LYS A 46 -5.458 -10.853 1.591 1.00 33.14 H new ATOM 0 HB2 LYS A 46 -7.764 -10.924 0.660 1.00 53.12 H new ATOM 0 HB3 LYS A 46 -7.114 -11.227 -0.939 1.00 53.12 H new ATOM 0 HG2 LYS A 46 -6.175 -13.402 -0.154 1.00 53.14 H new ATOM 0 HG3 LYS A 46 -6.800 -13.099 1.454 1.00 53.14 H new ATOM 0 HD2 LYS A 46 -8.315 -14.622 0.281 1.00 34.41 H new ATOM 0 HD3 LYS A 46 -9.134 -13.097 0.556 1.00 34.41 H new ATOM 0 HE2 LYS A 46 -9.619 -13.878 -1.720 1.00 0.10 H new ATOM 0 HE3 LYS A 46 -8.664 -12.411 -1.806 1.00 0.10 H new ATOM 0 HZ1 LYS A 46 -7.903 -14.144 -3.337 1.00 40.32 H new ATOM 0 HZ2 LYS A 46 -6.696 -13.701 -2.228 1.00 40.32 H new ATOM 0 HZ3 LYS A 46 -7.546 -15.156 -2.022 1.00 40.32 H new ATOM 793 N SER A 47 -3.640 -12.124 0.431 1.00 70.23 N ATOM 794 CA SER A 47 -2.491 -12.828 -0.163 1.00 23.52 C ATOM 795 C SER A 47 -2.968 -13.962 -1.102 1.00 4.40 C ATOM 796 O SER A 47 -4.117 -14.422 -0.984 1.00 30.22 O ATOM 797 CB SER A 47 -1.604 -13.410 0.971 1.00 20.22 C ATOM 798 OG SER A 47 -2.323 -14.336 1.777 1.00 51.42 O ATOM 0 H SER A 47 -3.786 -12.348 1.415 1.00 70.23 H new ATOM 0 HA SER A 47 -1.910 -12.121 -0.755 1.00 23.52 H new ATOM 0 HB2 SER A 47 -0.735 -13.904 0.536 1.00 20.22 H new ATOM 0 HB3 SER A 47 -1.231 -12.598 1.595 1.00 20.22 H new ATOM 0 HG SER A 47 -2.978 -13.854 2.324 1.00 51.42 H new ATOM 804 N PRO A 48 -2.107 -14.423 -2.073 1.00 71.23 N ATOM 805 CA PRO A 48 -2.364 -15.673 -2.840 1.00 22.15 C ATOM 806 C PRO A 48 -2.306 -16.940 -1.945 1.00 20.51 C ATOM 807 O PRO A 48 -2.629 -18.044 -2.404 1.00 0.35 O ATOM 808 CB PRO A 48 -1.264 -15.674 -3.937 1.00 45.22 C ATOM 809 CG PRO A 48 -0.176 -14.773 -3.415 1.00 71.34 C ATOM 810 CD PRO A 48 -0.868 -13.730 -2.552 1.00 15.44 C ATOM 0 HA PRO A 48 -3.369 -15.698 -3.262 1.00 22.15 H new ATOM 0 HB2 PRO A 48 -0.888 -16.681 -4.115 1.00 45.22 H new ATOM 0 HB3 PRO A 48 -1.656 -15.308 -4.886 1.00 45.22 H new ATOM 0 HG2 PRO A 48 0.552 -15.338 -2.834 1.00 71.34 H new ATOM 0 HG3 PRO A 48 0.367 -14.302 -4.235 1.00 71.34 H new ATOM 0 HD2 PRO A 48 -0.237 -13.418 -1.719 1.00 15.44 H new ATOM 0 HD3 PRO A 48 -1.107 -12.833 -3.124 1.00 15.44 H new ATOM 818 N SER A 49 -1.875 -16.768 -0.675 1.00 72.23 N ATOM 819 CA SER A 49 -1.983 -17.802 0.372 1.00 65.32 C ATOM 820 C SER A 49 -3.448 -17.970 0.847 1.00 44.35 C ATOM 821 O SER A 49 -3.804 -19.012 1.407 1.00 1.24 O ATOM 822 CB SER A 49 -1.066 -17.444 1.568 1.00 23.31 C ATOM 823 OG SER A 49 0.292 -17.344 1.171 1.00 72.24 O ATOM 0 H SER A 49 -1.441 -15.904 -0.349 1.00 72.23 H new ATOM 0 HA SER A 49 -1.660 -18.752 -0.054 1.00 65.32 H new ATOM 0 HB2 SER A 49 -1.389 -16.499 2.005 1.00 23.31 H new ATOM 0 HB3 SER A 49 -1.164 -18.204 2.343 1.00 23.31 H new ATOM 0 HG SER A 49 0.844 -17.115 1.948 1.00 72.24 H new ATOM 829 N GLY A 50 -4.282 -16.929 0.627 1.00 34.51 N ATOM 830 CA GLY A 50 -5.711 -16.958 0.977 1.00 72.10 C ATOM 831 C GLY A 50 -6.051 -16.123 2.202 1.00 11.02 C ATOM 832 O GLY A 50 -7.217 -15.764 2.403 1.00 72.34 O ATOM 0 H GLY A 50 -3.981 -16.051 0.204 1.00 34.51 H new ATOM 0 HA2 GLY A 50 -6.292 -16.598 0.128 1.00 72.10 H new ATOM 0 HA3 GLY A 50 -6.013 -17.990 1.155 1.00 72.10 H new ATOM 836 N LYS A 51 -5.037 -15.814 3.025 1.00 2.21 N ATOM 837 CA LYS A 51 -5.210 -15.034 4.265 1.00 15.04 C ATOM 838 C LYS A 51 -5.202 -13.523 3.942 1.00 72.13 C ATOM 839 O LYS A 51 -4.350 -13.056 3.180 1.00 20.54 O ATOM 840 CB LYS A 51 -4.089 -15.402 5.302 1.00 54.25 C ATOM 841 CG LYS A 51 -4.329 -16.715 6.114 1.00 3.11 C ATOM 842 CD LYS A 51 -4.377 -18.004 5.250 1.00 10.53 C ATOM 843 CE LYS A 51 -3.000 -18.428 4.698 1.00 73.04 C ATOM 844 NZ LYS A 51 -2.108 -18.974 5.756 1.00 73.31 N ATOM 0 H LYS A 51 -4.073 -16.097 2.851 1.00 2.21 H new ATOM 0 HA LYS A 51 -6.172 -15.281 4.713 1.00 15.04 H new ATOM 0 HB2 LYS A 51 -3.142 -15.492 4.770 1.00 54.25 H new ATOM 0 HB3 LYS A 51 -3.983 -14.575 6.004 1.00 54.25 H new ATOM 0 HG2 LYS A 51 -3.537 -16.819 6.856 1.00 3.11 H new ATOM 0 HG3 LYS A 51 -5.268 -16.623 6.660 1.00 3.11 H new ATOM 0 HD2 LYS A 51 -4.786 -18.818 5.849 1.00 10.53 H new ATOM 0 HD3 LYS A 51 -5.061 -17.847 4.416 1.00 10.53 H new ATOM 0 HE2 LYS A 51 -3.139 -19.179 3.921 1.00 73.04 H new ATOM 0 HE3 LYS A 51 -2.520 -17.569 4.229 1.00 73.04 H new ATOM 0 HZ1 LYS A 51 -1.196 -19.244 5.336 1.00 73.31 H new ATOM 0 HZ2 LYS A 51 -1.952 -18.250 6.486 1.00 73.31 H new ATOM 0 HZ3 LYS A 51 -2.552 -19.810 6.187 1.00 73.31 H new ATOM 858 N ILE A 52 -6.159 -12.771 4.525 1.00 13.13 N ATOM 859 CA ILE A 52 -6.267 -11.312 4.322 1.00 13.14 C ATOM 860 C ILE A 52 -5.220 -10.595 5.189 1.00 4.21 C ATOM 861 O ILE A 52 -5.167 -10.793 6.401 1.00 34.34 O ATOM 862 CB ILE A 52 -7.704 -10.756 4.668 1.00 20.03 C ATOM 863 CG1 ILE A 52 -8.794 -11.466 3.800 1.00 41.02 C ATOM 864 CG2 ILE A 52 -7.769 -9.208 4.484 1.00 32.41 C ATOM 865 CD1 ILE A 52 -10.223 -11.013 4.072 1.00 23.04 C ATOM 0 H ILE A 52 -6.873 -13.155 5.145 1.00 13.13 H new ATOM 0 HA ILE A 52 -6.088 -11.118 3.264 1.00 13.14 H new ATOM 0 HB ILE A 52 -7.905 -10.975 5.717 1.00 20.03 H new ATOM 0 HG12 ILE A 52 -8.568 -11.295 2.747 1.00 41.02 H new ATOM 0 HG13 ILE A 52 -8.730 -12.541 3.970 1.00 41.02 H new ATOM 0 HG21 ILE A 52 -8.770 -8.854 4.729 1.00 32.41 H new ATOM 0 HG22 ILE A 52 -7.044 -8.732 5.144 1.00 32.41 H new ATOM 0 HG23 ILE A 52 -7.538 -8.955 3.449 1.00 32.41 H new ATOM 0 HD11 ILE A 52 -10.908 -11.560 3.424 1.00 23.04 H new ATOM 0 HD12 ILE A 52 -10.475 -11.210 5.114 1.00 23.04 H new ATOM 0 HD13 ILE A 52 -10.310 -9.945 3.873 1.00 23.04 H new ATOM 877 N LEU A 53 -4.377 -9.791 4.543 1.00 64.23 N ATOM 878 CA LEU A 53 -3.328 -9.008 5.205 1.00 11.04 C ATOM 879 C LEU A 53 -3.799 -7.549 5.293 1.00 1.15 C ATOM 880 O LEU A 53 -4.268 -6.988 4.297 1.00 43.35 O ATOM 881 CB LEU A 53 -2.007 -9.082 4.390 1.00 33.33 C ATOM 882 CG LEU A 53 -1.639 -10.461 3.765 1.00 30.23 C ATOM 883 CD1 LEU A 53 -0.310 -10.358 3.010 1.00 51.23 C ATOM 884 CD2 LEU A 53 -1.616 -11.601 4.810 1.00 23.25 C ATOM 0 H LEU A 53 -4.402 -9.662 3.532 1.00 64.23 H new ATOM 0 HA LEU A 53 -3.142 -9.408 6.202 1.00 11.04 H new ATOM 0 HB2 LEU A 53 -2.064 -8.349 3.585 1.00 33.33 H new ATOM 0 HB3 LEU A 53 -1.189 -8.776 5.042 1.00 33.33 H new ATOM 0 HG LEU A 53 -2.424 -10.722 3.056 1.00 30.23 H new ATOM 0 HD11 LEU A 53 -0.062 -11.327 2.577 1.00 51.23 H new ATOM 0 HD12 LEU A 53 -0.399 -9.617 2.215 1.00 51.23 H new ATOM 0 HD13 LEU A 53 0.478 -10.056 3.700 1.00 51.23 H new ATOM 0 HD21 LEU A 53 -1.354 -12.539 4.320 1.00 23.25 H new ATOM 0 HD22 LEU A 53 -0.877 -11.375 5.579 1.00 23.25 H new ATOM 0 HD23 LEU A 53 -2.600 -11.694 5.269 1.00 23.25 H new ATOM 896 N LYS A 54 -3.697 -6.940 6.479 1.00 53.03 N ATOM 897 CA LYS A 54 -3.981 -5.506 6.657 1.00 34.13 C ATOM 898 C LYS A 54 -2.672 -4.772 6.983 1.00 24.53 C ATOM 899 O LYS A 54 -1.888 -5.230 7.822 1.00 13.42 O ATOM 900 CB LYS A 54 -5.041 -5.283 7.764 1.00 51.05 C ATOM 901 CG LYS A 54 -6.347 -6.095 7.570 1.00 62.50 C ATOM 902 CD LYS A 54 -7.466 -5.693 8.560 1.00 64.13 C ATOM 903 CE LYS A 54 -7.036 -5.749 10.036 1.00 32.44 C ATOM 904 NZ LYS A 54 -6.583 -7.102 10.436 1.00 71.03 N ATOM 0 H LYS A 54 -3.419 -7.418 7.336 1.00 53.03 H new ATOM 0 HA LYS A 54 -4.395 -5.103 5.733 1.00 34.13 H new ATOM 0 HB2 LYS A 54 -4.604 -5.545 8.727 1.00 51.05 H new ATOM 0 HB3 LYS A 54 -5.289 -4.222 7.805 1.00 51.05 H new ATOM 0 HG2 LYS A 54 -6.706 -5.956 6.550 1.00 62.50 H new ATOM 0 HG3 LYS A 54 -6.129 -7.156 7.689 1.00 62.50 H new ATOM 0 HD2 LYS A 54 -7.800 -4.682 8.326 1.00 64.13 H new ATOM 0 HD3 LYS A 54 -8.322 -6.353 8.415 1.00 64.13 H new ATOM 0 HE2 LYS A 54 -6.231 -5.033 10.206 1.00 32.44 H new ATOM 0 HE3 LYS A 54 -7.871 -5.446 10.668 1.00 32.44 H new ATOM 0 HZ1 LYS A 54 -6.547 -7.163 11.474 1.00 71.03 H new ATOM 0 HZ2 LYS A 54 -7.248 -7.813 10.070 1.00 71.03 H new ATOM 0 HZ3 LYS A 54 -5.636 -7.281 10.045 1.00 71.03 H new ATOM 918 N GLY A 55 -2.428 -3.658 6.289 1.00 21.21 N ATOM 919 CA GLY A 55 -1.230 -2.840 6.495 1.00 43.52 C ATOM 920 C GLY A 55 -1.577 -1.376 6.541 1.00 22.45 C ATOM 921 O GLY A 55 -2.549 -0.969 5.937 1.00 35.45 O ATOM 0 H GLY A 55 -3.054 -3.298 5.569 1.00 21.21 H new ATOM 0 HA2 GLY A 55 -0.742 -3.131 7.425 1.00 43.52 H new ATOM 0 HA3 GLY A 55 -0.518 -3.023 5.691 1.00 43.52 H new ATOM 925 N LYS A 56 -0.803 -0.568 7.258 1.00 20.24 N ATOM 926 CA LYS A 56 -1.105 0.861 7.420 1.00 63.31 C ATOM 927 C LYS A 56 -0.021 1.718 6.774 1.00 25.43 C ATOM 928 O LYS A 56 1.172 1.437 6.929 1.00 63.31 O ATOM 929 CB LYS A 56 -1.277 1.202 8.917 1.00 23.51 C ATOM 930 CG LYS A 56 -1.590 2.695 9.201 1.00 1.25 C ATOM 931 CD LYS A 56 -2.222 2.935 10.587 1.00 12.43 C ATOM 932 CE LYS A 56 -3.632 2.322 10.714 1.00 72.22 C ATOM 933 NZ LYS A 56 -4.283 2.706 11.991 1.00 11.41 N ATOM 0 H LYS A 56 0.042 -0.874 7.740 1.00 20.24 H new ATOM 0 HA LYS A 56 -2.044 1.082 6.912 1.00 63.31 H new ATOM 0 HB2 LYS A 56 -2.081 0.590 9.327 1.00 23.51 H new ATOM 0 HB3 LYS A 56 -0.365 0.927 9.447 1.00 23.51 H new ATOM 0 HG2 LYS A 56 -0.669 3.273 9.125 1.00 1.25 H new ATOM 0 HG3 LYS A 56 -2.266 3.070 8.432 1.00 1.25 H new ATOM 0 HD2 LYS A 56 -1.575 2.510 11.355 1.00 12.43 H new ATOM 0 HD3 LYS A 56 -2.278 4.007 10.775 1.00 12.43 H new ATOM 0 HE2 LYS A 56 -4.249 2.651 9.878 1.00 72.22 H new ATOM 0 HE3 LYS A 56 -3.564 1.236 10.652 1.00 72.22 H new ATOM 0 HZ1 LYS A 56 -5.229 2.276 12.042 1.00 11.41 H new ATOM 0 HZ2 LYS A 56 -3.707 2.370 12.789 1.00 11.41 H new ATOM 0 HZ3 LYS A 56 -4.370 3.741 12.039 1.00 11.41 H new ATOM 947 N ILE A 57 -0.461 2.750 6.025 1.00 43.53 N ATOM 948 CA ILE A 57 0.428 3.749 5.422 1.00 61.13 C ATOM 949 C ILE A 57 1.061 4.590 6.551 1.00 24.31 C ATOM 950 O ILE A 57 0.435 5.506 7.083 1.00 4.42 O ATOM 951 CB ILE A 57 -0.351 4.679 4.414 1.00 11.23 C ATOM 952 CG1 ILE A 57 -1.105 3.827 3.342 1.00 13.20 C ATOM 953 CG2 ILE A 57 0.605 5.699 3.738 1.00 60.34 C ATOM 954 CD1 ILE A 57 -1.949 4.633 2.365 1.00 51.24 C ATOM 0 H ILE A 57 -1.448 2.909 5.824 1.00 43.53 H new ATOM 0 HA ILE A 57 1.206 3.238 4.855 1.00 61.13 H new ATOM 0 HB ILE A 57 -1.091 5.243 4.983 1.00 11.23 H new ATOM 0 HG12 ILE A 57 -0.373 3.249 2.777 1.00 13.20 H new ATOM 0 HG13 ILE A 57 -1.750 3.112 3.854 1.00 13.20 H new ATOM 0 HG21 ILE A 57 0.040 6.326 3.049 1.00 60.34 H new ATOM 0 HG22 ILE A 57 1.068 6.325 4.501 1.00 60.34 H new ATOM 0 HG23 ILE A 57 1.379 5.163 3.189 1.00 60.34 H new ATOM 0 HD11 ILE A 57 -2.434 3.958 1.660 1.00 51.24 H new ATOM 0 HD12 ILE A 57 -2.708 5.190 2.914 1.00 51.24 H new ATOM 0 HD13 ILE A 57 -1.311 5.329 1.821 1.00 51.24 H new ATOM 966 N VAL A 58 2.275 4.213 6.958 1.00 41.53 N ATOM 967 CA VAL A 58 2.982 4.855 8.090 1.00 30.35 C ATOM 968 C VAL A 58 3.780 6.087 7.621 1.00 35.03 C ATOM 969 O VAL A 58 3.928 7.067 8.362 1.00 31.24 O ATOM 970 CB VAL A 58 3.923 3.826 8.827 1.00 73.44 C ATOM 971 CG1 VAL A 58 3.089 2.720 9.528 1.00 32.10 C ATOM 972 CG2 VAL A 58 4.959 3.209 7.848 1.00 31.44 C ATOM 0 H VAL A 58 2.802 3.458 6.520 1.00 41.53 H new ATOM 0 HA VAL A 58 2.229 5.194 8.801 1.00 30.35 H new ATOM 0 HB VAL A 58 4.477 4.368 9.593 1.00 73.44 H new ATOM 0 HG11 VAL A 58 3.759 2.022 10.030 1.00 32.10 H new ATOM 0 HG12 VAL A 58 2.424 3.176 10.262 1.00 32.10 H new ATOM 0 HG13 VAL A 58 2.497 2.185 8.785 1.00 32.10 H new ATOM 0 HG21 VAL A 58 5.593 2.504 8.386 1.00 31.44 H new ATOM 0 HG22 VAL A 58 4.436 2.688 7.046 1.00 31.44 H new ATOM 0 HG23 VAL A 58 5.576 4.001 7.424 1.00 31.44 H new ATOM 982 N ARG A 59 4.261 6.028 6.374 1.00 32.32 N ATOM 983 CA ARG A 59 5.088 7.082 5.762 1.00 4.42 C ATOM 984 C ARG A 59 4.907 7.002 4.236 1.00 12.33 C ATOM 985 O ARG A 59 4.111 6.183 3.755 1.00 3.12 O ATOM 986 CB ARG A 59 6.572 6.899 6.220 1.00 31.01 C ATOM 987 CG ARG A 59 7.528 8.082 5.897 1.00 71.12 C ATOM 988 CD ARG A 59 8.870 7.989 6.638 1.00 45.55 C ATOM 989 NE ARG A 59 8.686 8.080 8.105 1.00 51.40 N ATOM 990 CZ ARG A 59 9.372 7.381 9.024 1.00 74.23 C ATOM 991 NH1 ARG A 59 10.301 6.505 8.666 1.00 31.35 N ATOM 992 NH2 ARG A 59 9.106 7.556 10.307 1.00 71.52 N ATOM 0 H ARG A 59 4.087 5.239 5.752 1.00 32.32 H new ATOM 0 HA ARG A 59 4.784 8.079 6.081 1.00 4.42 H new ATOM 0 HB2 ARG A 59 6.582 6.731 7.297 1.00 31.01 H new ATOM 0 HB3 ARG A 59 6.969 5.998 5.753 1.00 31.01 H new ATOM 0 HG2 ARG A 59 7.713 8.109 4.823 1.00 71.12 H new ATOM 0 HG3 ARG A 59 7.038 9.020 6.160 1.00 71.12 H new ATOM 0 HD2 ARG A 59 9.360 7.048 6.389 1.00 45.55 H new ATOM 0 HD3 ARG A 59 9.529 8.790 6.302 1.00 45.55 H new ATOM 0 HE ARG A 59 7.977 8.729 8.447 1.00 51.40 H new ATOM 0 HH11 ARG A 59 10.505 6.353 7.678 1.00 31.35 H new ATOM 0 HH12 ARG A 59 10.812 5.983 9.378 1.00 31.35 H new ATOM 0 HH21 ARG A 59 8.384 8.218 10.593 1.00 71.52 H new ATOM 0 HH22 ARG A 59 9.622 7.029 11.011 1.00 71.52 H new ATOM 1006 N VAL A 60 5.568 7.889 3.481 1.00 21.44 N ATOM 1007 CA VAL A 60 5.640 7.808 2.007 1.00 43.25 C ATOM 1008 C VAL A 60 7.102 7.899 1.548 1.00 35.43 C ATOM 1009 O VAL A 60 7.974 8.357 2.301 1.00 64.40 O ATOM 1010 CB VAL A 60 4.786 8.933 1.312 1.00 30.12 C ATOM 1011 CG1 VAL A 60 3.298 8.784 1.675 1.00 1.11 C ATOM 1012 CG2 VAL A 60 5.301 10.350 1.662 1.00 50.24 C ATOM 0 H VAL A 60 6.071 8.686 3.871 1.00 21.44 H new ATOM 0 HA VAL A 60 5.221 6.847 1.709 1.00 43.25 H new ATOM 0 HB VAL A 60 4.895 8.809 0.235 1.00 30.12 H new ATOM 0 HG11 VAL A 60 2.724 9.570 1.185 1.00 1.11 H new ATOM 0 HG12 VAL A 60 2.938 7.811 1.342 1.00 1.11 H new ATOM 0 HG13 VAL A 60 3.177 8.865 2.755 1.00 1.11 H new ATOM 0 HG21 VAL A 60 4.683 11.096 1.161 1.00 50.24 H new ATOM 0 HG22 VAL A 60 5.249 10.500 2.740 1.00 50.24 H new ATOM 0 HG23 VAL A 60 6.334 10.454 1.331 1.00 50.24 H new ATOM 1022 N HIS A 61 7.354 7.469 0.303 1.00 22.34 N ATOM 1023 CA HIS A 61 8.695 7.506 -0.302 1.00 41.34 C ATOM 1024 C HIS A 61 8.563 7.819 -1.798 1.00 60.14 C ATOM 1025 O HIS A 61 8.205 6.938 -2.573 1.00 64.22 O ATOM 1026 CB HIS A 61 9.411 6.140 -0.087 1.00 21.34 C ATOM 1027 CG HIS A 61 10.909 6.189 -0.283 1.00 32.33 C ATOM 1028 ND1 HIS A 61 11.553 5.649 -1.378 1.00 12.30 N ATOM 1029 CD2 HIS A 61 11.889 6.705 0.500 1.00 52.33 C ATOM 1030 CE1 HIS A 61 12.854 5.826 -1.254 1.00 74.45 C ATOM 1031 NE2 HIS A 61 13.082 6.465 -0.126 1.00 60.35 N ATOM 0 H HIS A 61 6.636 7.086 -0.312 1.00 22.34 H new ATOM 0 HA HIS A 61 9.294 8.284 0.172 1.00 41.34 H new ATOM 0 HB2 HIS A 61 9.199 5.786 0.922 1.00 21.34 H new ATOM 0 HB3 HIS A 61 8.989 5.409 -0.776 1.00 21.34 H new ATOM 0 HD2 HIS A 61 11.753 7.212 1.444 1.00 52.33 H new ATOM 0 HE1 HIS A 61 13.605 5.502 -1.959 1.00 74.45 H new ATOM 0 HE2 HIS A 61 14.000 6.737 0.225 1.00 60.35 H new ATOM 1040 N GLY A 62 8.857 9.066 -2.196 1.00 33.52 N ATOM 1041 CA GLY A 62 8.765 9.486 -3.601 1.00 52.21 C ATOM 1042 C GLY A 62 7.668 10.516 -3.831 1.00 61.20 C ATOM 1043 O GLY A 62 6.605 10.459 -3.197 1.00 20.32 O ATOM 0 H GLY A 62 9.162 9.804 -1.561 1.00 33.52 H new ATOM 0 HA2 GLY A 62 9.722 9.903 -3.916 1.00 52.21 H new ATOM 0 HA3 GLY A 62 8.576 8.613 -4.226 1.00 52.21 H new ATOM 1047 N THR A 63 7.923 11.443 -4.768 1.00 4.34 N ATOM 1048 CA THR A 63 6.998 12.534 -5.130 1.00 41.14 C ATOM 1049 C THR A 63 6.039 12.123 -6.267 1.00 62.11 C ATOM 1050 O THR A 63 5.342 12.966 -6.834 1.00 62.35 O ATOM 1051 CB THR A 63 7.809 13.812 -5.526 1.00 32.23 C ATOM 1052 OG1 THR A 63 8.744 13.492 -6.572 1.00 41.50 O ATOM 1053 CG2 THR A 63 8.571 14.401 -4.326 1.00 30.45 C ATOM 0 H THR A 63 8.790 11.458 -5.305 1.00 4.34 H new ATOM 0 HA THR A 63 6.384 12.755 -4.257 1.00 41.14 H new ATOM 0 HB THR A 63 7.096 14.559 -5.874 1.00 32.23 H new ATOM 0 HG1 THR A 63 9.248 14.296 -6.817 1.00 41.50 H new ATOM 0 HG21 THR A 63 9.121 15.287 -4.644 1.00 30.45 H new ATOM 0 HG22 THR A 63 7.863 14.675 -3.544 1.00 30.45 H new ATOM 0 HG23 THR A 63 9.270 13.659 -3.939 1.00 30.45 H new ATOM 1061 N LYS A 64 6.004 10.811 -6.579 1.00 70.43 N ATOM 1062 CA LYS A 64 5.095 10.224 -7.587 1.00 32.22 C ATOM 1063 C LYS A 64 3.963 9.426 -6.911 1.00 13.21 C ATOM 1064 O LYS A 64 3.269 8.638 -7.566 1.00 62.42 O ATOM 1065 CB LYS A 64 5.909 9.339 -8.578 1.00 74.11 C ATOM 1066 CG LYS A 64 6.974 10.117 -9.384 1.00 34.13 C ATOM 1067 CD LYS A 64 6.366 11.271 -10.230 1.00 71.12 C ATOM 1068 CE LYS A 64 7.442 12.114 -10.936 1.00 23.23 C ATOM 1069 NZ LYS A 64 8.245 11.314 -11.894 1.00 3.23 N ATOM 0 H LYS A 64 6.611 10.122 -6.135 1.00 70.43 H new ATOM 0 HA LYS A 64 4.625 11.028 -8.153 1.00 32.22 H new ATOM 0 HB2 LYS A 64 6.401 8.543 -8.019 1.00 74.11 H new ATOM 0 HB3 LYS A 64 5.219 8.861 -9.273 1.00 74.11 H new ATOM 0 HG2 LYS A 64 7.714 10.527 -8.697 1.00 34.13 H new ATOM 0 HG3 LYS A 64 7.499 9.427 -10.044 1.00 34.13 H new ATOM 0 HD2 LYS A 64 5.689 10.853 -10.975 1.00 71.12 H new ATOM 0 HD3 LYS A 64 5.770 11.916 -9.584 1.00 71.12 H new ATOM 0 HE2 LYS A 64 6.965 12.939 -11.465 1.00 23.23 H new ATOM 0 HE3 LYS A 64 8.103 12.554 -10.190 1.00 23.23 H new ATOM 0 HZ1 LYS A 64 8.934 11.931 -12.370 1.00 3.23 H new ATOM 0 HZ2 LYS A 64 8.749 10.563 -11.382 1.00 3.23 H new ATOM 0 HZ3 LYS A 64 7.615 10.887 -12.603 1.00 3.23 H new ATOM 1083 N GLY A 65 3.763 9.674 -5.604 1.00 12.41 N ATOM 1084 CA GLY A 65 2.664 9.077 -4.862 1.00 72.54 C ATOM 1085 C GLY A 65 2.889 7.622 -4.494 1.00 44.24 C ATOM 1086 O GLY A 65 1.951 6.830 -4.516 1.00 75.11 O ATOM 0 H GLY A 65 4.357 10.288 -5.047 1.00 12.41 H new ATOM 0 HA2 GLY A 65 2.500 9.651 -3.950 1.00 72.54 H new ATOM 0 HA3 GLY A 65 1.753 9.155 -5.456 1.00 72.54 H new ATOM 1090 N ALA A 66 4.142 7.263 -4.175 1.00 51.52 N ATOM 1091 CA ALA A 66 4.477 5.934 -3.636 1.00 50.03 C ATOM 1092 C ALA A 66 4.381 5.987 -2.106 1.00 4.24 C ATOM 1093 O ALA A 66 5.034 6.826 -1.477 1.00 51.15 O ATOM 1094 CB ALA A 66 5.883 5.495 -4.073 1.00 51.03 C ATOM 0 H ALA A 66 4.947 7.880 -4.282 1.00 51.52 H new ATOM 0 HA ALA A 66 3.772 5.200 -4.027 1.00 50.03 H new ATOM 0 HB1 ALA A 66 6.102 4.510 -3.660 1.00 51.03 H new ATOM 0 HB2 ALA A 66 5.928 5.450 -5.161 1.00 51.03 H new ATOM 0 HB3 ALA A 66 6.618 6.213 -3.709 1.00 51.03 H new ATOM 1100 N VAL A 67 3.558 5.107 -1.517 1.00 31.20 N ATOM 1101 CA VAL A 67 3.355 5.027 -0.062 1.00 35.23 C ATOM 1102 C VAL A 67 4.136 3.853 0.548 1.00 71.23 C ATOM 1103 O VAL A 67 4.417 2.839 -0.111 1.00 51.12 O ATOM 1104 CB VAL A 67 1.828 4.897 0.322 1.00 51.22 C ATOM 1105 CG1 VAL A 67 1.042 6.126 -0.160 1.00 10.12 C ATOM 1106 CG2 VAL A 67 1.193 3.589 -0.213 1.00 52.14 C ATOM 0 H VAL A 67 3.010 4.425 -2.041 1.00 31.20 H new ATOM 0 HA VAL A 67 3.733 5.963 0.350 1.00 35.23 H new ATOM 0 HB VAL A 67 1.774 4.851 1.410 1.00 51.22 H new ATOM 0 HG11 VAL A 67 -0.007 6.017 0.114 1.00 10.12 H new ATOM 0 HG12 VAL A 67 1.448 7.023 0.307 1.00 10.12 H new ATOM 0 HG13 VAL A 67 1.127 6.210 -1.243 1.00 10.12 H new ATOM 0 HG21 VAL A 67 0.143 3.549 0.078 1.00 52.14 H new ATOM 0 HG22 VAL A 67 1.269 3.566 -1.300 1.00 52.14 H new ATOM 0 HG23 VAL A 67 1.719 2.731 0.206 1.00 52.14 H new ATOM 1116 N ARG A 68 4.472 4.033 1.822 1.00 34.21 N ATOM 1117 CA ARG A 68 5.148 3.054 2.668 1.00 63.23 C ATOM 1118 C ARG A 68 4.094 2.394 3.585 1.00 25.54 C ATOM 1119 O ARG A 68 3.626 3.017 4.552 1.00 65.42 O ATOM 1120 CB ARG A 68 6.246 3.801 3.483 1.00 40.24 C ATOM 1121 CG ARG A 68 6.918 2.992 4.603 1.00 3.10 C ATOM 1122 CD ARG A 68 7.741 1.832 4.073 1.00 51.32 C ATOM 1123 NE ARG A 68 8.913 2.261 3.289 1.00 24.40 N ATOM 1124 CZ ARG A 68 10.113 1.668 3.327 1.00 2.25 C ATOM 1125 NH1 ARG A 68 10.334 0.614 4.104 1.00 40.21 N ATOM 1126 NH2 ARG A 68 11.091 2.127 2.580 1.00 23.12 N ATOM 0 H ARG A 68 4.272 4.903 2.315 1.00 34.21 H new ATOM 0 HA ARG A 68 5.627 2.268 2.084 1.00 63.23 H new ATOM 0 HB2 ARG A 68 7.018 4.138 2.791 1.00 40.24 H new ATOM 0 HB3 ARG A 68 5.801 4.693 3.923 1.00 40.24 H new ATOM 0 HG2 ARG A 68 7.560 3.651 5.187 1.00 3.10 H new ATOM 0 HG3 ARG A 68 6.153 2.611 5.280 1.00 3.10 H new ATOM 0 HD2 ARG A 68 8.077 1.221 4.911 1.00 51.32 H new ATOM 0 HD3 ARG A 68 7.107 1.200 3.451 1.00 51.32 H new ATOM 0 HE ARG A 68 8.802 3.067 2.674 1.00 24.40 H new ATOM 0 HH11 ARG A 68 9.583 0.243 4.685 1.00 40.21 H new ATOM 0 HH12 ARG A 68 11.255 0.176 4.119 1.00 40.21 H new ATOM 0 HH21 ARG A 68 10.935 2.932 1.974 1.00 23.12 H new ATOM 0 HH22 ARG A 68 12.007 1.678 2.606 1.00 23.12 H new ATOM 1140 N ALA A 69 3.699 1.146 3.252 1.00 62.15 N ATOM 1141 CA ALA A 69 2.667 0.399 3.999 1.00 32.04 C ATOM 1142 C ALA A 69 3.303 -0.739 4.819 1.00 51.13 C ATOM 1143 O ALA A 69 3.908 -1.657 4.260 1.00 52.12 O ATOM 1144 CB ALA A 69 1.598 -0.147 3.034 1.00 74.23 C ATOM 0 H ALA A 69 4.085 0.631 2.461 1.00 62.15 H new ATOM 0 HA ALA A 69 2.182 1.082 4.696 1.00 32.04 H new ATOM 0 HB1 ALA A 69 0.844 -0.695 3.599 1.00 74.23 H new ATOM 0 HB2 ALA A 69 1.125 0.682 2.508 1.00 74.23 H new ATOM 0 HB3 ALA A 69 2.067 -0.815 2.312 1.00 74.23 H new ATOM 1150 N ARG A 70 3.168 -0.648 6.149 1.00 5.52 N ATOM 1151 CA ARG A 70 3.639 -1.666 7.103 1.00 35.44 C ATOM 1152 C ARG A 70 2.532 -2.707 7.348 1.00 52.31 C ATOM 1153 O ARG A 70 1.568 -2.435 8.076 1.00 20.33 O ATOM 1154 CB ARG A 70 4.073 -0.979 8.440 1.00 40.25 C ATOM 1155 CG ARG A 70 5.541 -0.479 8.474 1.00 12.13 C ATOM 1156 CD ARG A 70 6.537 -1.631 8.682 1.00 73.21 C ATOM 1157 NE ARG A 70 6.242 -2.389 9.916 1.00 13.20 N ATOM 1158 CZ ARG A 70 7.000 -2.413 11.025 1.00 24.01 C ATOM 1159 NH1 ARG A 70 8.132 -1.720 11.098 1.00 41.30 N ATOM 1160 NH2 ARG A 70 6.611 -3.126 12.069 1.00 45.34 N ATOM 0 H ARG A 70 2.721 0.149 6.602 1.00 5.52 H new ATOM 0 HA ARG A 70 4.504 -2.182 6.687 1.00 35.44 H new ATOM 0 HB2 ARG A 70 3.412 -0.132 8.627 1.00 40.25 H new ATOM 0 HB3 ARG A 70 3.926 -1.685 9.258 1.00 40.25 H new ATOM 0 HG2 ARG A 70 5.771 0.035 7.540 1.00 12.13 H new ATOM 0 HG3 ARG A 70 5.657 0.250 9.276 1.00 12.13 H new ATOM 0 HD2 ARG A 70 6.501 -2.303 7.824 1.00 73.21 H new ATOM 0 HD3 ARG A 70 7.550 -1.232 8.733 1.00 73.21 H new ATOM 0 HE ARG A 70 5.386 -2.944 9.927 1.00 13.20 H new ATOM 0 HH11 ARG A 70 8.438 -1.158 10.304 1.00 41.30 H new ATOM 0 HH12 ARG A 70 8.695 -1.750 11.948 1.00 41.30 H new ATOM 0 HH21 ARG A 70 5.739 -3.654 12.030 1.00 45.34 H new ATOM 0 HH22 ARG A 70 7.183 -3.148 12.913 1.00 45.34 H new ATOM 1174 N PHE A 71 2.673 -3.890 6.714 1.00 55.32 N ATOM 1175 CA PHE A 71 1.713 -5.002 6.846 1.00 25.15 C ATOM 1176 C PHE A 71 2.015 -5.845 8.098 1.00 12.25 C ATOM 1177 O PHE A 71 3.180 -6.159 8.381 1.00 51.12 O ATOM 1178 CB PHE A 71 1.696 -5.878 5.556 1.00 35.23 C ATOM 1179 CG PHE A 71 0.838 -5.301 4.427 1.00 4.00 C ATOM 1180 CD1 PHE A 71 1.261 -4.215 3.657 1.00 10.51 C ATOM 1181 CD2 PHE A 71 -0.420 -5.844 4.153 1.00 4.20 C ATOM 1182 CE1 PHE A 71 0.455 -3.703 2.660 1.00 0.34 C ATOM 1183 CE2 PHE A 71 -1.218 -5.332 3.153 1.00 23.23 C ATOM 1184 CZ PHE A 71 -0.779 -4.262 2.408 1.00 22.14 C ATOM 0 H PHE A 71 3.457 -4.099 6.096 1.00 55.32 H new ATOM 0 HA PHE A 71 0.716 -4.578 6.969 1.00 25.15 H new ATOM 0 HB2 PHE A 71 2.718 -5.999 5.197 1.00 35.23 H new ATOM 0 HB3 PHE A 71 1.327 -6.872 5.808 1.00 35.23 H new ATOM 0 HD1 PHE A 71 2.228 -3.772 3.843 1.00 10.51 H new ATOM 0 HD2 PHE A 71 -0.774 -6.681 4.736 1.00 4.20 H new ATOM 0 HE1 PHE A 71 0.793 -2.861 2.075 1.00 0.34 H new ATOM 0 HE2 PHE A 71 -2.185 -5.769 2.955 1.00 23.23 H new ATOM 0 HZ PHE A 71 -1.403 -3.859 1.624 1.00 22.14 H new ATOM 1194 N GLU A 72 0.932 -6.188 8.832 1.00 11.50 N ATOM 1195 CA GLU A 72 0.976 -6.993 10.068 1.00 42.14 C ATOM 1196 C GLU A 72 1.646 -8.369 9.813 1.00 30.13 C ATOM 1197 O GLU A 72 2.598 -8.748 10.502 1.00 2.02 O ATOM 1198 CB GLU A 72 -0.470 -7.164 10.641 1.00 10.45 C ATOM 1199 CG GLU A 72 -1.489 -7.807 9.660 1.00 21.12 C ATOM 1200 CD GLU A 72 -2.897 -8.040 10.229 1.00 4.41 C ATOM 1201 OE1 GLU A 72 -3.020 -8.438 11.403 1.00 10.30 O ATOM 1202 OE2 GLU A 72 -3.886 -7.882 9.489 1.00 34.14 O ATOM 0 H GLU A 72 -0.014 -5.906 8.574 1.00 11.50 H new ATOM 0 HA GLU A 72 1.583 -6.469 10.807 1.00 42.14 H new ATOM 0 HB2 GLU A 72 -0.419 -7.776 11.542 1.00 10.45 H new ATOM 0 HB3 GLU A 72 -0.844 -6.185 10.942 1.00 10.45 H new ATOM 0 HG2 GLU A 72 -1.572 -7.169 8.780 1.00 21.12 H new ATOM 0 HG3 GLU A 72 -1.089 -8.763 9.323 1.00 21.12 H new ATOM 1209 N LYS A 73 1.145 -9.088 8.793 1.00 44.21 N ATOM 1210 CA LYS A 73 1.635 -10.418 8.414 1.00 3.32 C ATOM 1211 C LYS A 73 2.704 -10.247 7.335 1.00 33.43 C ATOM 1212 O LYS A 73 3.835 -10.720 7.487 1.00 64.24 O ATOM 1213 CB LYS A 73 0.469 -11.302 7.879 1.00 52.40 C ATOM 1214 CG LYS A 73 -0.740 -11.506 8.834 1.00 4.43 C ATOM 1215 CD LYS A 73 -0.380 -12.230 10.170 1.00 62.31 C ATOM 1216 CE LYS A 73 -0.126 -11.277 11.361 1.00 70.44 C ATOM 1217 NZ LYS A 73 -1.384 -10.693 11.905 1.00 14.11 N ATOM 0 H LYS A 73 0.381 -8.755 8.205 1.00 44.21 H new ATOM 0 HA LYS A 73 2.058 -10.916 9.287 1.00 3.32 H new ATOM 0 HB2 LYS A 73 0.102 -10.859 6.953 1.00 52.40 H new ATOM 0 HB3 LYS A 73 0.873 -12.282 7.625 1.00 52.40 H new ATOM 0 HG2 LYS A 73 -1.175 -10.534 9.066 1.00 4.43 H new ATOM 0 HG3 LYS A 73 -1.506 -12.082 8.315 1.00 4.43 H new ATOM 0 HD2 LYS A 73 -1.190 -12.911 10.431 1.00 62.31 H new ATOM 0 HD3 LYS A 73 0.510 -12.840 10.011 1.00 62.31 H new ATOM 0 HE2 LYS A 73 0.390 -11.820 12.153 1.00 70.44 H new ATOM 0 HE3 LYS A 73 0.536 -10.472 11.043 1.00 70.44 H new ATOM 0 HZ1 LYS A 73 -1.319 -10.632 12.941 1.00 14.11 H new ATOM 0 HZ2 LYS A 73 -1.524 -9.741 11.510 1.00 14.11 H new ATOM 0 HZ3 LYS A 73 -2.189 -11.298 11.644 1.00 14.11 H new ATOM 1231 N GLY A 74 2.307 -9.526 6.264 1.00 50.25 N ATOM 1232 CA GLY A 74 3.159 -9.279 5.114 1.00 44.51 C ATOM 1233 C GLY A 74 3.587 -10.555 4.411 1.00 33.50 C ATOM 1234 O GLY A 74 4.777 -10.773 4.174 1.00 15.55 O ATOM 0 H GLY A 74 1.382 -9.104 6.187 1.00 50.25 H new ATOM 0 HA2 GLY A 74 2.630 -8.640 4.407 1.00 44.51 H new ATOM 0 HA3 GLY A 74 4.046 -8.732 5.436 1.00 44.51 H new ATOM 1238 N LEU A 75 2.595 -11.421 4.111 1.00 43.32 N ATOM 1239 CA LEU A 75 2.808 -12.657 3.345 1.00 11.24 C ATOM 1240 C LEU A 75 3.182 -12.320 1.890 1.00 70.31 C ATOM 1241 O LEU A 75 2.351 -11.787 1.139 1.00 0.41 O ATOM 1242 CB LEU A 75 1.555 -13.582 3.393 1.00 11.24 C ATOM 1243 CG LEU A 75 1.386 -14.395 4.706 1.00 4.21 C ATOM 1244 CD1 LEU A 75 0.056 -15.173 4.711 1.00 54.33 C ATOM 1245 CD2 LEU A 75 2.598 -15.342 4.919 1.00 75.41 C ATOM 0 H LEU A 75 1.626 -11.278 4.395 1.00 43.32 H new ATOM 0 HA LEU A 75 3.633 -13.202 3.804 1.00 11.24 H new ATOM 0 HB2 LEU A 75 0.665 -12.970 3.246 1.00 11.24 H new ATOM 0 HB3 LEU A 75 1.605 -14.279 2.556 1.00 11.24 H new ATOM 0 HG LEU A 75 1.355 -13.695 5.541 1.00 4.21 H new ATOM 0 HD11 LEU A 75 -0.035 -15.733 5.642 1.00 54.33 H new ATOM 0 HD12 LEU A 75 -0.775 -14.473 4.626 1.00 54.33 H new ATOM 0 HD13 LEU A 75 0.036 -15.865 3.869 1.00 54.33 H new ATOM 0 HD21 LEU A 75 2.463 -15.904 5.843 1.00 75.41 H new ATOM 0 HD22 LEU A 75 2.670 -16.035 4.081 1.00 75.41 H new ATOM 0 HD23 LEU A 75 3.513 -14.753 4.983 1.00 75.41 H new ATOM 1257 N PRO A 76 4.459 -12.611 1.491 1.00 32.12 N ATOM 1258 CA PRO A 76 4.980 -12.267 0.161 1.00 22.24 C ATOM 1259 C PRO A 76 4.593 -13.331 -0.881 1.00 33.44 C ATOM 1260 O PRO A 76 4.033 -14.387 -0.537 1.00 2.51 O ATOM 1261 CB PRO A 76 6.509 -12.222 0.414 1.00 54.13 C ATOM 1262 CG PRO A 76 6.745 -13.293 1.450 1.00 60.43 C ATOM 1263 CD PRO A 76 5.490 -13.332 2.307 1.00 62.55 C ATOM 0 HA PRO A 76 4.585 -11.336 -0.245 1.00 22.24 H new ATOM 0 HB2 PRO A 76 7.070 -12.421 -0.499 1.00 54.13 H new ATOM 0 HB3 PRO A 76 6.824 -11.243 0.775 1.00 54.13 H new ATOM 0 HG2 PRO A 76 6.925 -14.259 0.978 1.00 60.43 H new ATOM 0 HG3 PRO A 76 7.623 -13.064 2.054 1.00 60.43 H new ATOM 0 HD2 PRO A 76 5.184 -14.357 2.518 1.00 62.55 H new ATOM 0 HD3 PRO A 76 5.650 -12.843 3.268 1.00 62.55 H new ATOM 1271 N GLY A 77 4.897 -13.052 -2.144 1.00 44.11 N ATOM 1272 CA GLY A 77 4.621 -13.983 -3.236 1.00 51.21 C ATOM 1273 C GLY A 77 4.726 -13.301 -4.578 1.00 24.45 C ATOM 1274 O GLY A 77 5.229 -12.173 -4.665 1.00 22.12 O ATOM 0 H GLY A 77 5.338 -12.181 -2.440 1.00 44.11 H new ATOM 0 HA2 GLY A 77 5.323 -14.816 -3.193 1.00 51.21 H new ATOM 0 HA3 GLY A 77 3.622 -14.402 -3.116 1.00 51.21 H new ATOM 1278 N GLN A 78 4.264 -13.978 -5.635 1.00 63.20 N ATOM 1279 CA GLN A 78 4.198 -13.392 -6.975 1.00 14.34 C ATOM 1280 C GLN A 78 2.790 -12.811 -7.206 1.00 63.00 C ATOM 1281 O GLN A 78 1.968 -13.352 -7.959 1.00 75.11 O ATOM 1282 CB GLN A 78 4.607 -14.425 -8.067 1.00 2.13 C ATOM 1283 CG GLN A 78 4.812 -13.812 -9.471 1.00 52.14 C ATOM 1284 CD GLN A 78 5.855 -12.682 -9.473 1.00 2.15 C ATOM 1285 OE1 GLN A 78 5.536 -11.506 -9.289 1.00 73.34 O ATOM 1286 NE2 GLN A 78 7.107 -13.032 -9.668 1.00 2.33 N ATOM 0 H GLN A 78 3.928 -14.940 -5.585 1.00 63.20 H new ATOM 0 HA GLN A 78 4.918 -12.577 -7.051 1.00 14.34 H new ATOM 0 HB2 GLN A 78 5.530 -14.917 -7.759 1.00 2.13 H new ATOM 0 HB3 GLN A 78 3.839 -15.196 -8.128 1.00 2.13 H new ATOM 0 HG2 GLN A 78 5.126 -14.593 -10.163 1.00 52.14 H new ATOM 0 HG3 GLN A 78 3.861 -13.425 -9.838 1.00 52.14 H new ATOM 0 HE21 GLN A 78 7.345 -14.012 -9.818 1.00 2.33 H new ATOM 0 HE22 GLN A 78 7.840 -12.323 -9.669 1.00 2.33 H new ATOM 1295 N ALA A 79 2.492 -11.753 -6.448 1.00 62.43 N ATOM 1296 CA ALA A 79 1.269 -10.953 -6.599 1.00 60.10 C ATOM 1297 C ALA A 79 1.639 -9.495 -6.918 1.00 1.40 C ATOM 1298 O ALA A 79 0.873 -8.569 -6.637 1.00 35.45 O ATOM 1299 CB ALA A 79 0.418 -11.078 -5.332 1.00 31.52 C ATOM 0 H ALA A 79 3.101 -11.421 -5.700 1.00 62.43 H new ATOM 0 HA ALA A 79 0.672 -11.324 -7.432 1.00 60.10 H new ATOM 0 HB1 ALA A 79 -0.490 -10.485 -5.443 1.00 31.52 H new ATOM 0 HB2 ALA A 79 0.151 -12.123 -5.174 1.00 31.52 H new ATOM 0 HB3 ALA A 79 0.986 -10.715 -4.475 1.00 31.52 H new ATOM 1305 N LEU A 80 2.821 -9.312 -7.529 1.00 12.00 N ATOM 1306 CA LEU A 80 3.332 -7.993 -7.930 1.00 42.22 C ATOM 1307 C LEU A 80 2.489 -7.409 -9.082 1.00 24.20 C ATOM 1308 O LEU A 80 2.383 -8.012 -10.153 1.00 41.53 O ATOM 1309 CB LEU A 80 4.823 -8.124 -8.332 1.00 71.04 C ATOM 1310 CG LEU A 80 5.789 -8.489 -7.160 1.00 35.35 C ATOM 1311 CD1 LEU A 80 7.222 -8.755 -7.658 1.00 63.45 C ATOM 1312 CD2 LEU A 80 5.770 -7.383 -6.082 1.00 51.53 C ATOM 0 H LEU A 80 3.452 -10.080 -7.759 1.00 12.00 H new ATOM 0 HA LEU A 80 3.254 -7.303 -7.090 1.00 42.22 H new ATOM 0 HB2 LEU A 80 4.910 -8.886 -9.106 1.00 71.04 H new ATOM 0 HB3 LEU A 80 5.150 -7.182 -8.773 1.00 71.04 H new ATOM 0 HG LEU A 80 5.431 -9.416 -6.712 1.00 35.35 H new ATOM 0 HD11 LEU A 80 7.861 -9.005 -6.811 1.00 63.45 H new ATOM 0 HD12 LEU A 80 7.214 -9.585 -8.364 1.00 63.45 H new ATOM 0 HD13 LEU A 80 7.607 -7.863 -8.152 1.00 63.45 H new ATOM 0 HD21 LEU A 80 6.448 -7.652 -5.272 1.00 51.53 H new ATOM 0 HD22 LEU A 80 6.089 -6.439 -6.524 1.00 51.53 H new ATOM 0 HD23 LEU A 80 4.759 -7.276 -5.688 1.00 51.53 H new ATOM 1324 N GLY A 81 1.871 -6.246 -8.827 1.00 25.13 N ATOM 1325 CA GLY A 81 0.997 -5.571 -9.791 1.00 21.10 C ATOM 1326 C GLY A 81 -0.475 -5.690 -9.427 1.00 22.34 C ATOM 1327 O GLY A 81 -1.334 -5.134 -10.126 1.00 32.32 O ATOM 0 H GLY A 81 1.965 -5.747 -7.942 1.00 25.13 H new ATOM 0 HA2 GLY A 81 1.270 -4.517 -9.848 1.00 21.10 H new ATOM 0 HA3 GLY A 81 1.158 -5.996 -10.782 1.00 21.10 H new ATOM 1331 N ASP A 82 -0.767 -6.416 -8.327 1.00 10.42 N ATOM 1332 CA ASP A 82 -2.142 -6.655 -7.853 1.00 73.24 C ATOM 1333 C ASP A 82 -2.694 -5.382 -7.174 1.00 0.33 C ATOM 1334 O ASP A 82 -1.931 -4.484 -6.813 1.00 42.24 O ATOM 1335 CB ASP A 82 -2.165 -7.863 -6.872 1.00 73.43 C ATOM 1336 CG ASP A 82 -3.568 -8.458 -6.678 1.00 24.23 C ATOM 1337 OD1 ASP A 82 -4.305 -8.007 -5.785 1.00 32.21 O ATOM 1338 OD2 ASP A 82 -3.940 -9.375 -7.439 1.00 20.20 O ATOM 0 H ASP A 82 -0.053 -6.852 -7.744 1.00 10.42 H new ATOM 0 HA ASP A 82 -2.780 -6.894 -8.704 1.00 73.24 H new ATOM 0 HB2 ASP A 82 -1.497 -8.639 -7.246 1.00 73.43 H new ATOM 0 HB3 ASP A 82 -1.775 -7.545 -5.905 1.00 73.43 H new ATOM 1343 N TYR A 83 -4.022 -5.310 -7.009 1.00 10.15 N ATOM 1344 CA TYR A 83 -4.706 -4.129 -6.468 1.00 74.15 C ATOM 1345 C TYR A 83 -5.037 -4.317 -4.982 1.00 14.23 C ATOM 1346 O TYR A 83 -5.573 -5.353 -4.576 1.00 63.15 O ATOM 1347 CB TYR A 83 -5.993 -3.842 -7.293 1.00 64.45 C ATOM 1348 CG TYR A 83 -5.723 -3.184 -8.658 1.00 51.44 C ATOM 1349 CD1 TYR A 83 -4.906 -3.798 -9.620 1.00 1.41 C ATOM 1350 CD2 TYR A 83 -6.274 -1.943 -8.977 1.00 71.20 C ATOM 1351 CE1 TYR A 83 -4.652 -3.193 -10.833 1.00 4.05 C ATOM 1352 CE2 TYR A 83 -6.026 -1.344 -10.189 1.00 2.23 C ATOM 1353 CZ TYR A 83 -5.217 -1.968 -11.112 1.00 32.32 C ATOM 1354 OH TYR A 83 -4.960 -1.354 -12.318 1.00 31.01 O ATOM 0 H TYR A 83 -4.654 -6.074 -7.249 1.00 10.15 H new ATOM 0 HA TYR A 83 -4.039 -3.271 -6.549 1.00 74.15 H new ATOM 0 HB2 TYR A 83 -6.528 -4.778 -7.451 1.00 64.45 H new ATOM 0 HB3 TYR A 83 -6.649 -3.194 -6.711 1.00 64.45 H new ATOM 0 HD1 TYR A 83 -4.468 -4.762 -9.406 1.00 1.41 H new ATOM 0 HD2 TYR A 83 -6.907 -1.444 -8.259 1.00 71.20 H new ATOM 0 HE1 TYR A 83 -4.015 -3.676 -11.559 1.00 4.05 H new ATOM 0 HE2 TYR A 83 -6.466 -0.384 -10.417 1.00 2.23 H new ATOM 0 HH TYR A 83 -5.435 -0.498 -12.357 1.00 31.01 H new ATOM 1364 N VAL A 84 -4.700 -3.292 -4.192 1.00 61.45 N ATOM 1365 CA VAL A 84 -5.075 -3.171 -2.780 1.00 52.24 C ATOM 1366 C VAL A 84 -6.281 -2.214 -2.671 1.00 61.32 C ATOM 1367 O VAL A 84 -6.542 -1.429 -3.596 1.00 52.31 O ATOM 1368 CB VAL A 84 -3.872 -2.613 -1.918 1.00 21.10 C ATOM 1369 CG1 VAL A 84 -2.583 -3.447 -2.107 1.00 60.15 C ATOM 1370 CG2 VAL A 84 -3.588 -1.114 -2.198 1.00 42.05 C ATOM 0 H VAL A 84 -4.145 -2.504 -4.526 1.00 61.45 H new ATOM 0 HA VAL A 84 -5.335 -4.157 -2.395 1.00 52.24 H new ATOM 0 HB VAL A 84 -4.186 -2.704 -0.878 1.00 21.10 H new ATOM 0 HG11 VAL A 84 -1.785 -3.026 -1.496 1.00 60.15 H new ATOM 0 HG12 VAL A 84 -2.768 -4.477 -1.803 1.00 60.15 H new ATOM 0 HG13 VAL A 84 -2.287 -3.426 -3.156 1.00 60.15 H new ATOM 0 HG21 VAL A 84 -2.754 -0.780 -1.581 1.00 42.05 H new ATOM 0 HG22 VAL A 84 -3.337 -0.982 -3.250 1.00 42.05 H new ATOM 0 HG23 VAL A 84 -4.474 -0.525 -1.959 1.00 42.05 H new ATOM 1380 N GLU A 85 -7.029 -2.301 -1.560 1.00 70.40 N ATOM 1381 CA GLU A 85 -8.072 -1.315 -1.225 1.00 54.13 C ATOM 1382 C GLU A 85 -7.633 -0.548 0.033 1.00 74.34 C ATOM 1383 O GLU A 85 -7.689 -1.074 1.140 1.00 63.02 O ATOM 1384 CB GLU A 85 -9.436 -2.032 -0.992 1.00 5.10 C ATOM 1385 CG GLU A 85 -9.944 -2.823 -2.217 1.00 12.21 C ATOM 1386 CD GLU A 85 -11.257 -3.587 -1.958 1.00 22.15 C ATOM 1387 OE1 GLU A 85 -12.332 -2.953 -1.942 1.00 70.43 O ATOM 1388 OE2 GLU A 85 -11.223 -4.821 -1.765 1.00 73.25 O ATOM 0 H GLU A 85 -6.931 -3.049 -0.873 1.00 70.40 H new ATOM 0 HA GLU A 85 -8.203 -0.614 -2.049 1.00 54.13 H new ATOM 0 HB2 GLU A 85 -9.337 -2.714 -0.147 1.00 5.10 H new ATOM 0 HB3 GLU A 85 -10.184 -1.288 -0.716 1.00 5.10 H new ATOM 0 HG2 GLU A 85 -10.093 -2.133 -3.048 1.00 12.21 H new ATOM 0 HG3 GLU A 85 -9.176 -3.532 -2.525 1.00 12.21 H new ATOM 1395 N ILE A 86 -7.227 0.708 -0.163 1.00 72.13 N ATOM 1396 CA ILE A 86 -6.826 1.622 0.915 1.00 62.42 C ATOM 1397 C ILE A 86 -8.087 2.262 1.499 1.00 1.33 C ATOM 1398 O ILE A 86 -8.741 3.065 0.837 1.00 44.10 O ATOM 1399 CB ILE A 86 -5.837 2.735 0.397 1.00 53.43 C ATOM 1400 CG1 ILE A 86 -4.568 2.075 -0.239 1.00 11.43 C ATOM 1401 CG2 ILE A 86 -5.457 3.727 1.532 1.00 5.11 C ATOM 1402 CD1 ILE A 86 -3.589 3.047 -0.877 1.00 51.11 C ATOM 0 H ILE A 86 -7.166 1.128 -1.090 1.00 72.13 H new ATOM 0 HA ILE A 86 -6.297 1.056 1.682 1.00 62.42 H new ATOM 0 HB ILE A 86 -6.343 3.314 -0.375 1.00 53.43 H new ATOM 0 HG12 ILE A 86 -4.045 1.511 0.533 1.00 11.43 H new ATOM 0 HG13 ILE A 86 -4.890 1.359 -0.995 1.00 11.43 H new ATOM 0 HG21 ILE A 86 -4.774 4.482 1.142 1.00 5.11 H new ATOM 0 HG22 ILE A 86 -6.358 4.212 1.908 1.00 5.11 H new ATOM 0 HG23 ILE A 86 -4.972 3.184 2.343 1.00 5.11 H new ATOM 0 HD11 ILE A 86 -2.744 2.495 -1.289 1.00 51.11 H new ATOM 0 HD12 ILE A 86 -4.089 3.595 -1.676 1.00 51.11 H new ATOM 0 HD13 ILE A 86 -3.231 3.749 -0.124 1.00 51.11 H new ATOM 1414 N VAL A 87 -8.440 1.862 2.718 1.00 62.34 N ATOM 1415 CA VAL A 87 -9.670 2.289 3.397 1.00 24.54 C ATOM 1416 C VAL A 87 -9.322 3.147 4.628 1.00 62.43 C ATOM 1417 O VAL A 87 -8.314 2.897 5.292 1.00 13.14 O ATOM 1418 CB VAL A 87 -10.508 1.028 3.816 1.00 32.44 C ATOM 1419 CG1 VAL A 87 -11.838 1.420 4.505 1.00 32.20 C ATOM 1420 CG2 VAL A 87 -10.761 0.111 2.587 1.00 63.44 C ATOM 0 H VAL A 87 -7.873 1.222 3.274 1.00 62.34 H new ATOM 0 HA VAL A 87 -10.268 2.894 2.716 1.00 24.54 H new ATOM 0 HB VAL A 87 -9.924 0.471 4.549 1.00 32.44 H new ATOM 0 HG11 VAL A 87 -12.386 0.518 4.778 1.00 32.20 H new ATOM 0 HG12 VAL A 87 -11.625 2.001 5.402 1.00 32.20 H new ATOM 0 HG13 VAL A 87 -12.440 2.017 3.820 1.00 32.20 H new ATOM 0 HG21 VAL A 87 -11.343 -0.758 2.895 1.00 63.44 H new ATOM 0 HG22 VAL A 87 -11.311 0.665 1.827 1.00 63.44 H new ATOM 0 HG23 VAL A 87 -9.807 -0.219 2.176 1.00 63.44 H new ATOM 1430 N LEU A 88 -10.152 4.175 4.907 1.00 55.13 N ATOM 1431 CA LEU A 88 -10.025 5.016 6.111 1.00 73.30 C ATOM 1432 C LEU A 88 -10.212 4.125 7.366 1.00 35.24 C ATOM 1433 O LEU A 88 -11.151 3.320 7.426 1.00 63.12 O ATOM 1434 CB LEU A 88 -11.076 6.175 6.048 1.00 4.11 C ATOM 1435 CG LEU A 88 -10.950 7.373 7.075 1.00 12.21 C ATOM 1436 CD1 LEU A 88 -11.400 7.009 8.515 1.00 51.02 C ATOM 1437 CD2 LEU A 88 -9.518 7.966 7.070 1.00 71.45 C ATOM 0 H LEU A 88 -10.928 4.443 4.302 1.00 55.13 H new ATOM 0 HA LEU A 88 -9.036 5.472 6.165 1.00 73.30 H new ATOM 0 HB2 LEU A 88 -11.043 6.596 5.043 1.00 4.11 H new ATOM 0 HB3 LEU A 88 -12.064 5.733 6.176 1.00 4.11 H new ATOM 0 HG LEU A 88 -11.646 8.137 6.729 1.00 12.21 H new ATOM 0 HD11 LEU A 88 -11.286 7.878 9.163 1.00 51.02 H new ATOM 0 HD12 LEU A 88 -12.445 6.701 8.503 1.00 51.02 H new ATOM 0 HD13 LEU A 88 -10.785 6.192 8.893 1.00 51.02 H new ATOM 0 HD21 LEU A 88 -9.462 8.787 7.785 1.00 71.45 H new ATOM 0 HD22 LEU A 88 -8.803 7.192 7.349 1.00 71.45 H new ATOM 0 HD23 LEU A 88 -9.281 8.337 6.073 1.00 71.45 H new