USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 638 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 ASN :FLIP amide:sc= -0.973 F(o=-2.3!,f=-0.97) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -118:sc= 0.143 (180deg=0) USER MOD Single : A 25 SER OG : rot 152:sc= -1.77! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -173:sc= 0.703 (180deg=0.519) USER MOD Single : A 32 MET CE :methyl -154:sc= 0 (180deg=-0.648) USER MOD Single : A 34 MET CE :methyl -142:sc= 0 (180deg=-1.14) USER MOD Single : A 40 THR OG1 : rot -140:sc= 0.171 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 143:sc= 1.22 (180deg=0.203) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 160:sc= 0.384 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0228 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -174:sc= -0.753 (180deg=-0.767) USER MOD ----------------------------------------------------------------- ATOM 56 N GLY A 4 7.277 1.948 9.492 1.00 13.30 N ATOM 57 CA GLY A 4 6.234 1.026 9.120 1.00 61.43 C ATOM 58 C GLY A 4 6.782 -0.188 8.412 1.00 53.31 C ATOM 59 O GLY A 4 7.943 -0.557 8.599 1.00 53.42 O ATOM 0 HA2 GLY A 4 5.692 0.712 10.012 1.00 61.43 H new ATOM 0 HA3 GLY A 4 5.517 1.531 8.473 1.00 61.43 H new ATOM 63 N ILE A 5 5.949 -0.801 7.601 1.00 50.42 N ATOM 64 CA ILE A 5 6.346 -1.951 6.812 1.00 31.31 C ATOM 65 C ILE A 5 6.045 -1.674 5.352 1.00 20.31 C ATOM 66 O ILE A 5 5.358 -0.700 5.035 1.00 14.23 O ATOM 67 CB ILE A 5 5.610 -3.240 7.255 1.00 13.21 C ATOM 68 CG1 ILE A 5 4.090 -3.035 7.202 1.00 62.10 C ATOM 69 CG2 ILE A 5 6.049 -3.651 8.653 1.00 62.24 C ATOM 70 CD1 ILE A 5 3.291 -4.268 7.573 1.00 30.45 C ATOM 0 H ILE A 5 4.978 -0.519 7.468 1.00 50.42 H new ATOM 0 HA ILE A 5 7.413 -2.113 6.962 1.00 31.31 H new ATOM 0 HB ILE A 5 5.872 -4.042 6.565 1.00 13.21 H new ATOM 0 HG12 ILE A 5 3.819 -2.222 7.876 1.00 62.10 H new ATOM 0 HG13 ILE A 5 3.810 -2.722 6.196 1.00 62.10 H new ATOM 0 HG21 ILE A 5 5.522 -4.558 8.948 1.00 62.24 H new ATOM 0 HG22 ILE A 5 7.123 -3.838 8.657 1.00 62.24 H new ATOM 0 HG23 ILE A 5 5.817 -2.852 9.357 1.00 62.24 H new ATOM 0 HD11 ILE A 5 2.226 -4.044 7.512 1.00 30.45 H new ATOM 0 HD12 ILE A 5 3.531 -5.078 6.884 1.00 30.45 H new ATOM 0 HD13 ILE A 5 3.540 -4.571 8.590 1.00 30.45 H new ATOM 82 N GLY A 6 6.561 -2.510 4.468 1.00 24.03 N ATOM 83 CA GLY A 6 6.266 -2.350 3.066 1.00 33.45 C ATOM 84 C GLY A 6 4.810 -2.632 2.783 1.00 12.55 C ATOM 85 O GLY A 6 4.192 -3.445 3.470 1.00 55.11 O ATOM 0 H GLY A 6 7.175 -3.292 4.696 1.00 24.03 H new ATOM 0 HA2 GLY A 6 6.511 -1.335 2.753 1.00 33.45 H new ATOM 0 HA3 GLY A 6 6.891 -3.024 2.480 1.00 33.45 H new ATOM 89 N LEU A 7 4.263 -1.961 1.780 1.00 21.22 N ATOM 90 CA LEU A 7 2.870 -2.148 1.384 1.00 10.32 C ATOM 91 C LEU A 7 2.602 -3.628 1.107 1.00 42.44 C ATOM 92 O LEU A 7 1.524 -4.146 1.386 1.00 25.02 O ATOM 93 CB LEU A 7 2.577 -1.289 0.139 1.00 52.35 C ATOM 94 CG LEU A 7 1.097 -1.063 -0.216 1.00 73.52 C ATOM 95 CD1 LEU A 7 0.471 -2.312 -0.824 1.00 10.35 C ATOM 96 CD2 LEU A 7 0.318 -0.622 1.014 1.00 0.05 C ATOM 0 H LEU A 7 4.767 -1.274 1.219 1.00 21.22 H new ATOM 0 HA LEU A 7 2.209 -1.831 2.191 1.00 10.32 H new ATOM 0 HB2 LEU A 7 3.045 -0.315 0.281 1.00 52.35 H new ATOM 0 HB3 LEU A 7 3.064 -1.755 -0.717 1.00 52.35 H new ATOM 0 HG LEU A 7 1.051 -0.272 -0.964 1.00 73.52 H new ATOM 0 HD11 LEU A 7 -0.574 -2.116 -1.062 1.00 10.35 H new ATOM 0 HD12 LEU A 7 1.006 -2.581 -1.735 1.00 10.35 H new ATOM 0 HD13 LEU A 7 0.532 -3.134 -0.111 1.00 10.35 H new ATOM 0 HD21 LEU A 7 -0.727 -0.466 0.746 1.00 0.05 H new ATOM 0 HD22 LEU A 7 0.385 -1.392 1.782 1.00 0.05 H new ATOM 0 HD23 LEU A 7 0.737 0.309 1.396 1.00 0.05 H new ATOM 108 N ASN A 8 3.619 -4.308 0.600 1.00 2.42 N ATOM 109 CA ASN A 8 3.509 -5.720 0.252 1.00 72.40 C ATOM 110 C ASN A 8 3.410 -6.594 1.502 1.00 15.45 C ATOM 111 O ASN A 8 2.948 -7.733 1.438 1.00 34.25 O ATOM 112 CB ASN A 8 4.718 -6.148 -0.587 1.00 51.03 C ATOM 113 CG ASN A 8 6.008 -6.179 0.214 1.00 4.42 C ATOM 114 OD1 ASN A 8 6.719 -5.059 0.255 1.00 62.03 O flip ATOM 115 ND2 ASN A 8 6.376 -7.207 0.777 1.00 54.20 N flip ATOM 0 H ASN A 8 4.537 -3.903 0.419 1.00 2.42 H new ATOM 0 HA ASN A 8 2.596 -5.854 -0.329 1.00 72.40 H new ATOM 0 HB2 ASN A 8 4.532 -7.137 -1.006 1.00 51.03 H new ATOM 0 HB3 ASN A 8 4.833 -5.462 -1.426 1.00 51.03 H new ATOM 0 HD21 ASN A 8 5.804 -8.050 0.725 1.00 54.20 H new ATOM 0 HD22 ASN A 8 7.253 -7.218 1.297 1.00 54.20 H new ATOM 122 N GLU A 9 3.828 -6.052 2.638 1.00 32.03 N ATOM 123 CA GLU A 9 3.891 -6.809 3.874 1.00 65.41 C ATOM 124 C GLU A 9 2.599 -6.658 4.667 1.00 74.04 C ATOM 125 O GLU A 9 2.388 -7.343 5.670 1.00 2.13 O ATOM 126 CB GLU A 9 5.078 -6.331 4.708 1.00 64.04 C ATOM 127 CG GLU A 9 6.415 -6.484 4.005 1.00 4.31 C ATOM 128 CD GLU A 9 7.579 -6.007 4.847 1.00 10.33 C ATOM 129 OE1 GLU A 9 8.089 -6.801 5.663 1.00 53.33 O ATOM 130 OE2 GLU A 9 7.986 -4.835 4.701 1.00 54.43 O ATOM 0 H GLU A 9 4.130 -5.082 2.725 1.00 32.03 H new ATOM 0 HA GLU A 9 4.020 -7.864 3.632 1.00 65.41 H new ATOM 0 HB2 GLU A 9 4.931 -5.282 4.967 1.00 64.04 H new ATOM 0 HB3 GLU A 9 5.103 -6.890 5.644 1.00 64.04 H new ATOM 0 HG2 GLU A 9 6.566 -7.532 3.745 1.00 4.31 H new ATOM 0 HG3 GLU A 9 6.395 -5.924 3.070 1.00 4.31 H new ATOM 137 N VAL A 10 1.735 -5.765 4.209 1.00 24.43 N ATOM 138 CA VAL A 10 0.464 -5.513 4.871 1.00 43.21 C ATOM 139 C VAL A 10 -0.547 -6.584 4.484 1.00 12.10 C ATOM 140 O VAL A 10 -0.404 -7.242 3.450 1.00 20.40 O ATOM 141 CB VAL A 10 -0.091 -4.120 4.497 1.00 30.20 C ATOM 142 CG1 VAL A 10 -1.272 -3.736 5.378 1.00 32.32 C ATOM 143 CG2 VAL A 10 0.999 -3.066 4.585 1.00 74.55 C ATOM 0 H VAL A 10 1.893 -5.199 3.375 1.00 24.43 H new ATOM 0 HA VAL A 10 0.633 -5.541 5.947 1.00 43.21 H new ATOM 0 HB VAL A 10 -0.444 -4.173 3.467 1.00 30.20 H new ATOM 0 HG11 VAL A 10 -1.637 -2.751 5.088 1.00 32.32 H new ATOM 0 HG12 VAL A 10 -2.070 -4.469 5.257 1.00 32.32 H new ATOM 0 HG13 VAL A 10 -0.956 -3.713 6.421 1.00 32.32 H new ATOM 0 HG21 VAL A 10 0.587 -2.093 4.318 1.00 74.55 H new ATOM 0 HG22 VAL A 10 1.387 -3.028 5.603 1.00 74.55 H new ATOM 0 HG23 VAL A 10 1.806 -3.319 3.898 1.00 74.55 H new ATOM 153 N GLU A 11 -1.557 -6.765 5.317 1.00 11.24 N ATOM 154 CA GLU A 11 -2.583 -7.759 5.062 1.00 62.14 C ATOM 155 C GLU A 11 -3.771 -7.107 4.356 1.00 11.15 C ATOM 156 O GLU A 11 -3.787 -5.894 4.143 1.00 53.32 O ATOM 157 CB GLU A 11 -3.018 -8.422 6.373 1.00 15.25 C ATOM 158 CG GLU A 11 -3.672 -9.779 6.179 1.00 75.12 C ATOM 159 CD GLU A 11 -3.983 -10.471 7.488 1.00 61.14 C ATOM 160 OE1 GLU A 11 -3.041 -10.980 8.135 1.00 60.23 O ATOM 161 OE2 GLU A 11 -5.172 -10.529 7.867 1.00 73.10 O ATOM 0 H GLU A 11 -1.688 -6.234 6.178 1.00 11.24 H new ATOM 0 HA GLU A 11 -2.178 -8.535 4.412 1.00 62.14 H new ATOM 0 HB2 GLU A 11 -2.148 -8.536 7.019 1.00 15.25 H new ATOM 0 HB3 GLU A 11 -3.715 -7.763 6.890 1.00 15.25 H new ATOM 0 HG2 GLU A 11 -4.594 -9.655 5.610 1.00 75.12 H new ATOM 0 HG3 GLU A 11 -3.014 -10.413 5.585 1.00 75.12 H new ATOM 168 N ILE A 12 -4.759 -7.910 4.001 1.00 41.22 N ATOM 169 CA ILE A 12 -5.875 -7.438 3.197 1.00 33.54 C ATOM 170 C ILE A 12 -6.966 -6.789 4.047 1.00 61.01 C ATOM 171 O ILE A 12 -7.037 -7.001 5.260 1.00 55.04 O ATOM 172 CB ILE A 12 -6.496 -8.592 2.383 1.00 12.43 C ATOM 173 CG1 ILE A 12 -7.076 -9.659 3.318 1.00 44.05 C ATOM 174 CG2 ILE A 12 -5.449 -9.206 1.466 1.00 61.14 C ATOM 175 CD1 ILE A 12 -7.785 -10.789 2.601 1.00 53.32 C ATOM 0 H ILE A 12 -4.812 -8.896 4.258 1.00 41.22 H new ATOM 0 HA ILE A 12 -5.469 -6.685 2.521 1.00 33.54 H new ATOM 0 HB ILE A 12 -7.307 -8.192 1.774 1.00 12.43 H new ATOM 0 HG12 ILE A 12 -6.269 -10.075 3.922 1.00 44.05 H new ATOM 0 HG13 ILE A 12 -7.776 -9.183 4.005 1.00 44.05 H new ATOM 0 HG21 ILE A 12 -5.897 -10.020 0.896 1.00 61.14 H new ATOM 0 HG22 ILE A 12 -5.075 -8.446 0.781 1.00 61.14 H new ATOM 0 HG23 ILE A 12 -4.624 -9.593 2.064 1.00 61.14 H new ATOM 0 HD11 ILE A 12 -8.166 -11.502 3.332 1.00 53.32 H new ATOM 0 HD12 ILE A 12 -8.615 -10.387 2.019 1.00 53.32 H new ATOM 0 HD13 ILE A 12 -7.085 -11.293 1.934 1.00 53.32 H new ATOM 187 N LYS A 13 -7.800 -5.990 3.383 1.00 45.10 N ATOM 188 CA LYS A 13 -8.995 -5.398 3.984 1.00 14.22 C ATOM 189 C LYS A 13 -8.653 -4.499 5.172 1.00 14.05 C ATOM 190 O LYS A 13 -9.273 -4.575 6.235 1.00 34.35 O ATOM 191 CB LYS A 13 -9.976 -6.503 4.381 1.00 23.30 C ATOM 192 CG LYS A 13 -10.351 -7.393 3.205 1.00 42.24 C ATOM 193 CD LYS A 13 -11.374 -8.446 3.583 1.00 64.53 C ATOM 194 CE LYS A 13 -11.645 -9.381 2.417 1.00 42.02 C ATOM 195 NZ LYS A 13 -12.743 -10.335 2.715 1.00 24.45 N ATOM 0 H LYS A 13 -7.665 -5.733 2.405 1.00 45.10 H new ATOM 0 HA LYS A 13 -9.470 -4.758 3.240 1.00 14.22 H new ATOM 0 HB2 LYS A 13 -9.533 -7.113 5.169 1.00 23.30 H new ATOM 0 HB3 LYS A 13 -10.878 -6.053 4.795 1.00 23.30 H new ATOM 0 HG2 LYS A 13 -10.748 -6.777 2.398 1.00 42.24 H new ATOM 0 HG3 LYS A 13 -9.455 -7.881 2.822 1.00 42.24 H new ATOM 0 HD2 LYS A 13 -11.014 -9.019 4.438 1.00 64.53 H new ATOM 0 HD3 LYS A 13 -12.302 -7.964 3.891 1.00 64.53 H new ATOM 0 HE2 LYS A 13 -11.903 -8.795 1.535 1.00 42.02 H new ATOM 0 HE3 LYS A 13 -10.737 -9.935 2.178 1.00 42.02 H new ATOM 0 HZ1 LYS A 13 -12.896 -10.955 1.894 1.00 24.45 H new ATOM 0 HZ2 LYS A 13 -12.487 -10.912 3.542 1.00 24.45 H new ATOM 0 HZ3 LYS A 13 -13.616 -9.807 2.918 1.00 24.45 H new ATOM 209 N SER A 14 -7.665 -3.642 4.974 1.00 24.03 N ATOM 210 CA SER A 14 -7.290 -2.650 5.961 1.00 11.41 C ATOM 211 C SER A 14 -6.828 -1.378 5.259 1.00 43.23 C ATOM 212 O SER A 14 -6.375 -1.428 4.118 1.00 11.30 O ATOM 213 CB SER A 14 -6.174 -3.187 6.855 1.00 73.34 C ATOM 214 OG SER A 14 -6.557 -4.402 7.478 1.00 23.13 O ATOM 0 H SER A 14 -7.102 -3.617 4.124 1.00 24.03 H new ATOM 0 HA SER A 14 -8.156 -2.424 6.583 1.00 11.41 H new ATOM 0 HB2 SER A 14 -5.274 -3.347 6.261 1.00 73.34 H new ATOM 0 HB3 SER A 14 -5.926 -2.447 7.616 1.00 73.34 H new ATOM 0 HG SER A 14 -5.824 -4.725 8.043 1.00 23.13 H new ATOM 220 N LYS A 15 -6.952 -0.239 5.927 1.00 70.34 N ATOM 221 CA LYS A 15 -6.511 1.019 5.347 1.00 14.22 C ATOM 222 C LYS A 15 -5.264 1.532 6.053 1.00 71.42 C ATOM 223 O LYS A 15 -5.199 1.584 7.285 1.00 30.14 O ATOM 224 CB LYS A 15 -7.620 2.082 5.355 1.00 32.53 C ATOM 225 CG LYS A 15 -8.297 2.315 6.696 1.00 32.01 C ATOM 226 CD LYS A 15 -9.601 1.539 6.812 1.00 72.44 C ATOM 227 CE LYS A 15 -10.466 2.083 7.937 1.00 42.05 C ATOM 228 NZ LYS A 15 -11.731 1.316 8.104 1.00 42.42 N ATOM 0 H LYS A 15 -7.351 -0.161 6.863 1.00 70.34 H new ATOM 0 HA LYS A 15 -6.263 0.822 4.304 1.00 14.22 H new ATOM 0 HB2 LYS A 15 -7.196 3.026 5.013 1.00 32.53 H new ATOM 0 HB3 LYS A 15 -8.381 1.793 4.630 1.00 32.53 H new ATOM 0 HG2 LYS A 15 -7.624 2.017 7.500 1.00 32.01 H new ATOM 0 HG3 LYS A 15 -8.495 3.379 6.824 1.00 32.01 H new ATOM 0 HD2 LYS A 15 -10.146 1.596 5.870 1.00 72.44 H new ATOM 0 HD3 LYS A 15 -9.386 0.486 6.992 1.00 72.44 H new ATOM 0 HE2 LYS A 15 -9.903 2.056 8.870 1.00 42.05 H new ATOM 0 HE3 LYS A 15 -10.702 3.128 7.737 1.00 42.05 H new ATOM 0 HZ1 LYS A 15 -12.285 1.726 8.883 1.00 42.42 H new ATOM 0 HZ2 LYS A 15 -12.284 1.362 7.224 1.00 42.42 H new ATOM 0 HZ3 LYS A 15 -11.509 0.324 8.322 1.00 42.42 H new ATOM 242 N VAL A 16 -4.274 1.894 5.253 1.00 1.30 N ATOM 243 CA VAL A 16 -2.988 2.361 5.751 1.00 45.44 C ATOM 244 C VAL A 16 -2.575 3.633 5.034 1.00 33.20 C ATOM 245 O VAL A 16 -3.120 3.971 3.981 1.00 50.51 O ATOM 246 CB VAL A 16 -1.884 1.291 5.567 1.00 63.51 C ATOM 247 CG1 VAL A 16 -2.161 0.075 6.438 1.00 34.54 C ATOM 248 CG2 VAL A 16 -1.767 0.885 4.103 1.00 62.31 C ATOM 0 H VAL A 16 -4.339 1.872 4.235 1.00 1.30 H new ATOM 0 HA VAL A 16 -3.104 2.559 6.817 1.00 45.44 H new ATOM 0 HB VAL A 16 -0.935 1.726 5.880 1.00 63.51 H new ATOM 0 HG11 VAL A 16 -1.373 -0.664 6.293 1.00 34.54 H new ATOM 0 HG12 VAL A 16 -2.188 0.376 7.485 1.00 34.54 H new ATOM 0 HG13 VAL A 16 -3.121 -0.360 6.161 1.00 34.54 H new ATOM 0 HG21 VAL A 16 -0.986 0.132 3.995 1.00 62.31 H new ATOM 0 HG22 VAL A 16 -2.717 0.473 3.763 1.00 62.31 H new ATOM 0 HG23 VAL A 16 -1.514 1.759 3.502 1.00 62.31 H new ATOM 258 N LYS A 17 -1.617 4.333 5.606 1.00 31.34 N ATOM 259 CA LYS A 17 -1.167 5.591 5.050 1.00 23.35 C ATOM 260 C LYS A 17 0.275 5.490 4.598 1.00 75.21 C ATOM 261 O LYS A 17 1.097 4.841 5.247 1.00 62.11 O ATOM 262 CB LYS A 17 -1.294 6.700 6.084 1.00 71.23 C ATOM 263 CG LYS A 17 -0.894 8.071 5.561 1.00 74.50 C ATOM 264 CD LYS A 17 -0.578 9.045 6.683 1.00 55.01 C ATOM 265 CE LYS A 17 0.732 8.687 7.365 1.00 34.35 C ATOM 266 NZ LYS A 17 1.167 9.730 8.329 1.00 44.33 N ATOM 0 H LYS A 17 -1.134 4.050 6.459 1.00 31.34 H new ATOM 0 HA LYS A 17 -1.794 5.824 4.189 1.00 23.35 H new ATOM 0 HB2 LYS A 17 -2.325 6.741 6.435 1.00 71.23 H new ATOM 0 HB3 LYS A 17 -0.673 6.454 6.946 1.00 71.23 H new ATOM 0 HG2 LYS A 17 -0.023 7.971 4.914 1.00 74.50 H new ATOM 0 HG3 LYS A 17 -1.701 8.474 4.949 1.00 74.50 H new ATOM 0 HD2 LYS A 17 -0.519 10.058 6.284 1.00 55.01 H new ATOM 0 HD3 LYS A 17 -1.386 9.037 7.414 1.00 55.01 H new ATOM 0 HE2 LYS A 17 0.620 7.737 7.887 1.00 34.35 H new ATOM 0 HE3 LYS A 17 1.506 8.547 6.610 1.00 34.35 H new ATOM 0 HZ1 LYS A 17 2.080 10.125 8.025 1.00 44.33 H new ATOM 0 HZ2 LYS A 17 0.456 10.488 8.364 1.00 44.33 H new ATOM 0 HZ3 LYS A 17 1.270 9.308 9.274 1.00 44.33 H new ATOM 280 N VAL A 18 0.574 6.157 3.503 1.00 72.43 N ATOM 281 CA VAL A 18 1.919 6.169 2.960 1.00 41.44 C ATOM 282 C VAL A 18 2.797 7.119 3.762 1.00 30.33 C ATOM 283 O VAL A 18 2.731 8.339 3.588 1.00 0.50 O ATOM 284 CB VAL A 18 1.927 6.584 1.475 1.00 63.21 C ATOM 285 CG1 VAL A 18 3.338 6.539 0.906 1.00 1.21 C ATOM 286 CG2 VAL A 18 0.997 5.690 0.672 1.00 23.32 C ATOM 0 H VAL A 18 -0.101 6.702 2.967 1.00 72.43 H new ATOM 0 HA VAL A 18 2.314 5.156 3.031 1.00 41.44 H new ATOM 0 HB VAL A 18 1.568 7.611 1.405 1.00 63.21 H new ATOM 0 HG11 VAL A 18 3.317 6.836 -0.143 1.00 1.21 H new ATOM 0 HG12 VAL A 18 3.977 7.223 1.464 1.00 1.21 H new ATOM 0 HG13 VAL A 18 3.731 5.526 0.988 1.00 1.21 H new ATOM 0 HG21 VAL A 18 1.013 5.995 -0.374 1.00 23.32 H new ATOM 0 HG22 VAL A 18 1.328 4.655 0.753 1.00 23.32 H new ATOM 0 HG23 VAL A 18 -0.018 5.778 1.060 1.00 23.32 H new ATOM 296 N ILE A 19 3.566 6.551 4.683 1.00 14.32 N ATOM 297 CA ILE A 19 4.527 7.314 5.472 1.00 4.42 C ATOM 298 C ILE A 19 5.512 8.028 4.563 1.00 20.12 C ATOM 299 O ILE A 19 5.687 9.244 4.643 1.00 13.05 O ATOM 300 CB ILE A 19 5.327 6.411 6.429 1.00 72.45 C ATOM 301 CG1 ILE A 19 4.383 5.578 7.291 1.00 32.32 C ATOM 302 CG2 ILE A 19 6.254 7.248 7.304 1.00 62.44 C ATOM 303 CD1 ILE A 19 5.095 4.685 8.281 1.00 31.44 C ATOM 0 H ILE A 19 3.542 5.555 4.904 1.00 14.32 H new ATOM 0 HA ILE A 19 3.953 8.034 6.055 1.00 4.42 H new ATOM 0 HB ILE A 19 5.938 5.732 5.833 1.00 72.45 H new ATOM 0 HG12 ILE A 19 3.715 6.247 7.833 1.00 32.32 H new ATOM 0 HG13 ILE A 19 3.760 4.962 6.642 1.00 32.32 H new ATOM 0 HG21 ILE A 19 6.811 6.593 7.974 1.00 62.44 H new ATOM 0 HG22 ILE A 19 6.951 7.799 6.673 1.00 62.44 H new ATOM 0 HG23 ILE A 19 5.663 7.951 7.892 1.00 62.44 H new ATOM 0 HD11 ILE A 19 4.360 4.124 8.858 1.00 31.44 H new ATOM 0 HD12 ILE A 19 5.743 3.991 7.745 1.00 31.44 H new ATOM 0 HD13 ILE A 19 5.696 5.295 8.955 1.00 31.44 H new ATOM 315 N GLY A 20 6.148 7.252 3.705 1.00 34.51 N ATOM 316 CA GLY A 20 7.132 7.789 2.801 1.00 14.45 C ATOM 317 C GLY A 20 7.389 6.851 1.650 1.00 53.34 C ATOM 318 O GLY A 20 6.828 5.753 1.596 1.00 73.34 O ATOM 0 H GLY A 20 5.996 6.247 3.620 1.00 34.51 H new ATOM 0 HA2 GLY A 20 6.791 8.751 2.419 1.00 14.45 H new ATOM 0 HA3 GLY A 20 8.062 7.971 3.339 1.00 14.45 H new ATOM 322 N ILE A 21 8.248 7.271 0.741 1.00 1.13 N ATOM 323 CA ILE A 21 8.536 6.504 -0.454 1.00 70.03 C ATOM 324 C ILE A 21 9.978 6.005 -0.418 1.00 43.44 C ATOM 325 O ILE A 21 10.820 6.581 0.269 1.00 31.54 O ATOM 326 CB ILE A 21 8.301 7.360 -1.724 1.00 4.21 C ATOM 327 CG1 ILE A 21 6.889 7.956 -1.707 1.00 42.13 C ATOM 328 CG2 ILE A 21 8.505 6.533 -2.989 1.00 63.45 C ATOM 329 CD1 ILE A 21 6.591 8.851 -2.890 1.00 34.21 C ATOM 0 H ILE A 21 8.763 8.149 0.810 1.00 1.13 H new ATOM 0 HA ILE A 21 7.862 5.648 -0.487 1.00 70.03 H new ATOM 0 HB ILE A 21 9.030 8.170 -1.725 1.00 4.21 H new ATOM 0 HG12 ILE A 21 6.162 7.144 -1.685 1.00 42.13 H new ATOM 0 HG13 ILE A 21 6.757 8.527 -0.788 1.00 42.13 H new ATOM 0 HG21 ILE A 21 8.334 7.159 -3.865 1.00 63.45 H new ATOM 0 HG22 ILE A 21 9.525 6.149 -3.012 1.00 63.45 H new ATOM 0 HG23 ILE A 21 7.803 5.699 -2.996 1.00 63.45 H new ATOM 0 HD11 ILE A 21 5.574 9.235 -2.809 1.00 34.21 H new ATOM 0 HD12 ILE A 21 7.294 9.684 -2.902 1.00 34.21 H new ATOM 0 HD13 ILE A 21 6.690 8.279 -3.813 1.00 34.21 H new ATOM 341 N VAL A 22 10.245 4.926 -1.139 1.00 63.12 N ATOM 342 CA VAL A 22 11.592 4.393 -1.272 1.00 11.13 C ATOM 343 C VAL A 22 12.164 4.804 -2.629 1.00 14.13 C ATOM 344 O VAL A 22 11.921 4.150 -3.644 1.00 31.21 O ATOM 345 CB VAL A 22 11.629 2.856 -1.122 1.00 75.41 C ATOM 346 CG1 VAL A 22 13.056 2.339 -1.210 1.00 50.44 C ATOM 347 CG2 VAL A 22 10.992 2.429 0.193 1.00 42.02 C ATOM 0 H VAL A 22 9.536 4.397 -1.647 1.00 63.12 H new ATOM 0 HA VAL A 22 12.200 4.807 -0.467 1.00 11.13 H new ATOM 0 HB VAL A 22 11.055 2.423 -1.942 1.00 75.41 H new ATOM 0 HG11 VAL A 22 13.057 1.254 -1.102 1.00 50.44 H new ATOM 0 HG12 VAL A 22 13.481 2.608 -2.177 1.00 50.44 H new ATOM 0 HG13 VAL A 22 13.654 2.784 -0.414 1.00 50.44 H new ATOM 0 HG21 VAL A 22 11.028 1.343 0.279 1.00 42.02 H new ATOM 0 HG22 VAL A 22 11.537 2.877 1.024 1.00 42.02 H new ATOM 0 HG23 VAL A 22 9.954 2.761 0.219 1.00 42.02 H new ATOM 357 N PRO A 23 12.858 5.958 -2.664 1.00 25.21 N ATOM 358 CA PRO A 23 13.340 6.588 -3.905 1.00 21.52 C ATOM 359 C PRO A 23 14.285 5.701 -4.721 1.00 41.50 C ATOM 360 O PRO A 23 14.435 4.507 -4.445 1.00 44.01 O ATOM 361 CB PRO A 23 14.079 7.837 -3.411 1.00 30.24 C ATOM 362 CG PRO A 23 14.390 7.564 -1.983 1.00 22.10 C ATOM 363 CD PRO A 23 13.262 6.723 -1.474 1.00 61.33 C ATOM 0 HA PRO A 23 12.512 6.794 -4.583 1.00 21.52 H new ATOM 0 HB2 PRO A 23 14.988 8.010 -3.986 1.00 30.24 H new ATOM 0 HB3 PRO A 23 13.461 8.728 -3.516 1.00 30.24 H new ATOM 0 HG2 PRO A 23 15.342 7.043 -1.883 1.00 22.10 H new ATOM 0 HG3 PRO A 23 14.473 8.492 -1.417 1.00 22.10 H new ATOM 0 HD2 PRO A 23 13.580 6.069 -0.662 1.00 61.33 H new ATOM 0 HD3 PRO A 23 12.445 7.333 -1.090 1.00 61.33 H new ATOM 371 N GLU A 24 14.937 6.314 -5.717 1.00 74.43 N ATOM 372 CA GLU A 24 15.785 5.607 -6.687 1.00 53.42 C ATOM 373 C GLU A 24 14.973 4.701 -7.621 1.00 72.30 C ATOM 374 O GLU A 24 15.205 4.690 -8.829 1.00 42.31 O ATOM 375 CB GLU A 24 16.853 4.774 -5.973 1.00 5.23 C ATOM 376 CG GLU A 24 18.042 4.428 -6.848 1.00 43.30 C ATOM 377 CD GLU A 24 18.904 3.352 -6.232 1.00 50.33 C ATOM 378 OE1 GLU A 24 18.386 2.238 -5.995 1.00 71.12 O ATOM 379 OE2 GLU A 24 20.093 3.617 -5.959 1.00 63.04 O ATOM 0 H GLU A 24 14.891 7.321 -5.874 1.00 74.43 H new ATOM 0 HA GLU A 24 16.265 6.374 -7.294 1.00 53.42 H new ATOM 0 HB2 GLU A 24 17.204 5.322 -5.099 1.00 5.23 H new ATOM 0 HB3 GLU A 24 16.399 3.852 -5.610 1.00 5.23 H new ATOM 0 HG2 GLU A 24 17.689 4.095 -7.824 1.00 43.30 H new ATOM 0 HG3 GLU A 24 18.642 5.323 -7.014 1.00 43.30 H new ATOM 386 N SER A 25 14.023 3.962 -7.061 1.00 71.24 N ATOM 387 CA SER A 25 13.227 3.010 -7.821 1.00 31.21 C ATOM 388 C SER A 25 12.536 3.672 -9.006 1.00 41.05 C ATOM 389 O SER A 25 12.126 4.836 -8.940 1.00 14.14 O ATOM 390 CB SER A 25 12.174 2.368 -6.919 1.00 1.52 C ATOM 391 OG SER A 25 11.604 1.227 -7.533 1.00 21.12 O ATOM 0 H SER A 25 13.784 4.006 -6.070 1.00 71.24 H new ATOM 0 HA SER A 25 13.906 2.248 -8.202 1.00 31.21 H new ATOM 0 HB2 SER A 25 12.628 2.085 -5.969 1.00 1.52 H new ATOM 0 HB3 SER A 25 11.392 3.093 -6.695 1.00 1.52 H new ATOM 0 HG SER A 25 11.308 0.598 -6.843 1.00 21.12 H new ATOM 397 N LYS A 26 12.417 2.923 -10.088 1.00 31.21 N ATOM 398 CA LYS A 26 11.654 3.359 -11.244 1.00 22.13 C ATOM 399 C LYS A 26 10.164 3.323 -10.923 1.00 62.23 C ATOM 400 O LYS A 26 9.387 4.123 -11.442 1.00 62.43 O ATOM 401 CB LYS A 26 11.958 2.487 -12.474 1.00 61.54 C ATOM 402 CG LYS A 26 11.665 1.000 -12.293 1.00 11.42 C ATOM 403 CD LYS A 26 12.738 0.297 -11.477 1.00 15.11 C ATOM 404 CE LYS A 26 12.399 -1.164 -11.251 1.00 53.04 C ATOM 405 NZ LYS A 26 13.490 -1.871 -10.536 1.00 11.42 N ATOM 0 H LYS A 26 12.843 2.002 -10.190 1.00 31.21 H new ATOM 0 HA LYS A 26 11.946 4.382 -11.482 1.00 22.13 H new ATOM 0 HB2 LYS A 26 11.375 2.858 -13.317 1.00 61.54 H new ATOM 0 HB3 LYS A 26 13.009 2.607 -12.736 1.00 61.54 H new ATOM 0 HG2 LYS A 26 10.700 0.879 -11.801 1.00 11.42 H new ATOM 0 HG3 LYS A 26 11.586 0.526 -13.271 1.00 11.42 H new ATOM 0 HD2 LYS A 26 13.696 0.374 -11.991 1.00 15.11 H new ATOM 0 HD3 LYS A 26 12.852 0.798 -10.516 1.00 15.11 H new ATOM 0 HE2 LYS A 26 11.476 -1.240 -10.675 1.00 53.04 H new ATOM 0 HE3 LYS A 26 12.217 -1.649 -12.210 1.00 53.04 H new ATOM 0 HZ1 LYS A 26 13.226 -2.867 -10.398 1.00 11.42 H new ATOM 0 HZ2 LYS A 26 14.364 -1.819 -11.098 1.00 11.42 H new ATOM 0 HZ3 LYS A 26 13.646 -1.423 -9.611 1.00 11.42 H new ATOM 419 N VAL A 27 9.771 2.412 -10.035 1.00 15.44 N ATOM 420 CA VAL A 27 8.370 2.295 -9.651 1.00 63.05 C ATOM 421 C VAL A 27 8.017 3.369 -8.627 1.00 54.34 C ATOM 422 O VAL A 27 6.849 3.670 -8.406 1.00 34.12 O ATOM 423 CB VAL A 27 8.016 0.895 -9.098 1.00 75.35 C ATOM 424 CG1 VAL A 27 8.460 -0.191 -10.068 1.00 14.04 C ATOM 425 CG2 VAL A 27 8.615 0.669 -7.722 1.00 43.41 C ATOM 0 H VAL A 27 10.397 1.752 -9.573 1.00 15.44 H new ATOM 0 HA VAL A 27 7.778 2.438 -10.555 1.00 63.05 H new ATOM 0 HB VAL A 27 6.932 0.844 -8.994 1.00 75.35 H new ATOM 0 HG11 VAL A 27 8.202 -1.169 -9.662 1.00 14.04 H new ATOM 0 HG12 VAL A 27 7.957 -0.052 -11.025 1.00 14.04 H new ATOM 0 HG13 VAL A 27 9.539 -0.131 -10.213 1.00 14.04 H new ATOM 0 HG21 VAL A 27 8.345 -0.325 -7.366 1.00 43.41 H new ATOM 0 HG22 VAL A 27 9.700 0.751 -7.780 1.00 43.41 H new ATOM 0 HG23 VAL A 27 8.231 1.419 -7.030 1.00 43.41 H new ATOM 435 N ARG A 28 9.045 3.950 -8.010 1.00 54.44 N ATOM 436 CA ARG A 28 8.873 5.135 -7.176 1.00 32.12 C ATOM 437 C ARG A 28 8.180 6.244 -7.977 1.00 12.33 C ATOM 438 O ARG A 28 7.353 6.987 -7.447 1.00 10.34 O ATOM 439 CB ARG A 28 10.250 5.576 -6.643 1.00 70.30 C ATOM 440 CG ARG A 28 10.324 6.990 -6.080 1.00 2.02 C ATOM 441 CD ARG A 28 10.593 8.017 -7.173 1.00 52.23 C ATOM 442 NE ARG A 28 11.694 7.613 -8.050 1.00 31.14 N ATOM 443 CZ ARG A 28 12.074 8.291 -9.133 1.00 62.22 C ATOM 444 NH1 ARG A 28 11.437 9.403 -9.479 1.00 51.03 N ATOM 445 NH2 ARG A 28 13.083 7.849 -9.876 1.00 70.45 N ATOM 0 H ARG A 28 10.007 3.617 -8.073 1.00 54.44 H new ATOM 0 HA ARG A 28 8.234 4.910 -6.322 1.00 32.12 H new ATOM 0 HB2 ARG A 28 10.557 4.879 -5.863 1.00 70.30 H new ATOM 0 HB3 ARG A 28 10.976 5.489 -7.452 1.00 70.30 H new ATOM 0 HG2 ARG A 28 9.388 7.231 -5.576 1.00 2.02 H new ATOM 0 HG3 ARG A 28 11.112 7.042 -5.329 1.00 2.02 H new ATOM 0 HD2 ARG A 28 9.690 8.158 -7.767 1.00 52.23 H new ATOM 0 HD3 ARG A 28 10.828 8.978 -6.716 1.00 52.23 H new ATOM 0 HE ARG A 28 12.202 6.759 -7.818 1.00 31.14 H new ATOM 0 HH11 ARG A 28 10.656 9.740 -8.916 1.00 51.03 H new ATOM 0 HH12 ARG A 28 11.729 9.921 -10.308 1.00 51.03 H new ATOM 0 HH21 ARG A 28 13.568 6.990 -9.618 1.00 70.45 H new ATOM 0 HH22 ARG A 28 13.372 8.369 -10.704 1.00 70.45 H new ATOM 459 N ARG A 29 8.520 6.335 -9.260 1.00 13.40 N ATOM 460 CA ARG A 29 7.889 7.289 -10.170 1.00 72.21 C ATOM 461 C ARG A 29 6.455 6.850 -10.468 1.00 54.21 C ATOM 462 O ARG A 29 5.535 7.668 -10.531 1.00 23.54 O ATOM 463 CB ARG A 29 8.701 7.368 -11.464 1.00 64.41 C ATOM 464 CG ARG A 29 8.247 8.443 -12.438 1.00 15.24 C ATOM 465 CD ARG A 29 9.057 8.374 -13.722 1.00 64.43 C ATOM 466 NE ARG A 29 8.772 9.474 -14.640 1.00 72.14 N ATOM 467 CZ ARG A 29 9.338 9.590 -15.843 1.00 73.41 C ATOM 468 NH1 ARG A 29 10.155 8.640 -16.287 1.00 3.20 N ATOM 469 NH2 ARG A 29 9.083 10.643 -16.606 1.00 40.10 N ATOM 0 H ARG A 29 9.236 5.754 -9.697 1.00 13.40 H new ATOM 0 HA ARG A 29 7.862 8.275 -9.706 1.00 72.21 H new ATOM 0 HB2 ARG A 29 9.746 7.546 -11.210 1.00 64.41 H new ATOM 0 HB3 ARG A 29 8.655 6.401 -11.965 1.00 64.41 H new ATOM 0 HG2 ARG A 29 7.188 8.315 -12.662 1.00 15.24 H new ATOM 0 HG3 ARG A 29 8.360 9.427 -11.982 1.00 15.24 H new ATOM 0 HD2 ARG A 29 10.119 8.381 -13.475 1.00 64.43 H new ATOM 0 HD3 ARG A 29 8.852 7.428 -14.223 1.00 64.43 H new ATOM 0 HE ARG A 29 8.107 10.190 -14.347 1.00 72.14 H new ATOM 0 HH11 ARG A 29 10.349 7.823 -15.708 1.00 3.20 H new ATOM 0 HH12 ARG A 29 10.588 8.728 -17.206 1.00 3.20 H new ATOM 0 HH21 ARG A 29 8.451 11.372 -16.275 1.00 40.10 H new ATOM 0 HH22 ARG A 29 9.519 10.725 -17.524 1.00 40.10 H new ATOM 483 N LYS A 30 6.292 5.540 -10.639 1.00 23.54 N ATOM 484 CA LYS A 30 4.989 4.915 -10.871 1.00 51.14 C ATOM 485 C LYS A 30 3.988 5.320 -9.793 1.00 25.40 C ATOM 486 O LYS A 30 2.859 5.699 -10.094 1.00 14.02 O ATOM 487 CB LYS A 30 5.166 3.395 -10.867 1.00 62.12 C ATOM 488 CG LYS A 30 3.876 2.595 -10.942 1.00 54.01 C ATOM 489 CD LYS A 30 3.242 2.656 -12.316 1.00 12.23 C ATOM 490 CE LYS A 30 2.093 1.671 -12.424 1.00 10.44 C ATOM 491 NZ LYS A 30 2.549 0.262 -12.254 1.00 15.43 N ATOM 0 H LYS A 30 7.066 4.876 -10.621 1.00 23.54 H new ATOM 0 HA LYS A 30 4.601 5.249 -11.833 1.00 51.14 H new ATOM 0 HB2 LYS A 30 5.798 3.116 -11.710 1.00 62.12 H new ATOM 0 HB3 LYS A 30 5.700 3.109 -9.961 1.00 62.12 H new ATOM 0 HG2 LYS A 30 4.080 1.556 -10.684 1.00 54.01 H new ATOM 0 HG3 LYS A 30 3.172 2.975 -10.202 1.00 54.01 H new ATOM 0 HD2 LYS A 30 2.881 3.666 -12.510 1.00 12.23 H new ATOM 0 HD3 LYS A 30 3.990 2.434 -13.077 1.00 12.23 H new ATOM 0 HE2 LYS A 30 1.344 1.904 -11.667 1.00 10.44 H new ATOM 0 HE3 LYS A 30 1.611 1.781 -13.395 1.00 10.44 H new ATOM 0 HZ1 LYS A 30 1.759 -0.385 -12.452 1.00 15.43 H new ATOM 0 HZ2 LYS A 30 3.329 0.068 -12.914 1.00 15.43 H new ATOM 0 HZ3 LYS A 30 2.878 0.119 -11.278 1.00 15.43 H new ATOM 505 N ILE A 31 4.421 5.221 -8.544 1.00 73.31 N ATOM 506 CA ILE A 31 3.600 5.595 -7.391 1.00 14.21 C ATOM 507 C ILE A 31 3.011 6.996 -7.557 1.00 31.30 C ATOM 508 O ILE A 31 1.795 7.187 -7.468 1.00 34.12 O ATOM 509 CB ILE A 31 4.430 5.556 -6.087 1.00 72.32 C ATOM 510 CG1 ILE A 31 5.089 4.185 -5.912 1.00 71.45 C ATOM 511 CG2 ILE A 31 3.553 5.877 -4.888 1.00 0.42 C ATOM 512 CD1 ILE A 31 6.118 4.146 -4.803 1.00 1.52 C ATOM 0 H ILE A 31 5.350 4.880 -8.297 1.00 73.31 H new ATOM 0 HA ILE A 31 2.788 4.870 -7.331 1.00 14.21 H new ATOM 0 HB ILE A 31 5.213 6.311 -6.156 1.00 72.32 H new ATOM 0 HG12 ILE A 31 4.317 3.443 -5.707 1.00 71.45 H new ATOM 0 HG13 ILE A 31 5.566 3.898 -6.849 1.00 71.45 H new ATOM 0 HG21 ILE A 31 4.154 5.845 -3.979 1.00 0.42 H new ATOM 0 HG22 ILE A 31 3.126 6.873 -5.006 1.00 0.42 H new ATOM 0 HG23 ILE A 31 2.750 5.144 -4.818 1.00 0.42 H new ATOM 0 HD11 ILE A 31 6.543 3.145 -4.736 1.00 1.52 H new ATOM 0 HD12 ILE A 31 6.910 4.863 -5.017 1.00 1.52 H new ATOM 0 HD13 ILE A 31 5.642 4.402 -3.856 1.00 1.52 H new ATOM 524 N MET A 32 3.879 7.964 -7.827 1.00 45.53 N ATOM 525 CA MET A 32 3.453 9.353 -7.969 1.00 73.34 C ATOM 526 C MET A 32 2.575 9.541 -9.198 1.00 23.41 C ATOM 527 O MET A 32 1.634 10.338 -9.182 1.00 73.42 O ATOM 528 CB MET A 32 4.662 10.286 -8.039 1.00 13.22 C ATOM 529 CG MET A 32 5.371 10.457 -6.707 1.00 2.32 C ATOM 530 SD MET A 32 6.795 11.556 -6.818 1.00 41.55 S ATOM 531 CE MET A 32 7.244 11.691 -5.089 1.00 4.41 C ATOM 0 H MET A 32 4.880 7.814 -7.952 1.00 45.53 H new ATOM 0 HA MET A 32 2.864 9.607 -7.088 1.00 73.34 H new ATOM 0 HB2 MET A 32 5.370 9.897 -8.771 1.00 13.22 H new ATOM 0 HB3 MET A 32 4.337 11.263 -8.397 1.00 13.22 H new ATOM 0 HG2 MET A 32 4.668 10.852 -5.973 1.00 2.32 H new ATOM 0 HG3 MET A 32 5.696 9.482 -6.345 1.00 2.32 H new ATOM 0 HE1 MET A 32 7.762 12.635 -4.920 1.00 4.41 H new ATOM 0 HE2 MET A 32 6.344 11.657 -4.476 1.00 4.41 H new ATOM 0 HE3 MET A 32 7.900 10.864 -4.818 1.00 4.41 H new ATOM 541 N ASP A 33 2.877 8.804 -10.260 1.00 54.14 N ATOM 542 CA ASP A 33 2.074 8.853 -11.478 1.00 4.21 C ATOM 543 C ASP A 33 0.681 8.299 -11.207 1.00 55.10 C ATOM 544 O ASP A 33 -0.316 8.829 -11.694 1.00 11.04 O ATOM 545 CB ASP A 33 2.745 8.057 -12.602 1.00 4.33 C ATOM 546 CG ASP A 33 1.932 8.071 -13.885 1.00 61.13 C ATOM 547 OD1 ASP A 33 2.053 9.048 -14.659 1.00 1.14 O ATOM 548 OD2 ASP A 33 1.170 7.112 -14.124 1.00 34.14 O ATOM 0 H ASP A 33 3.671 8.165 -10.304 1.00 54.14 H new ATOM 0 HA ASP A 33 1.990 9.893 -11.794 1.00 4.21 H new ATOM 0 HB2 ASP A 33 3.734 8.472 -12.797 1.00 4.33 H new ATOM 0 HB3 ASP A 33 2.890 7.026 -12.278 1.00 4.33 H new ATOM 553 N MET A 34 0.632 7.250 -10.397 1.00 24.10 N ATOM 554 CA MET A 34 -0.620 6.601 -10.027 1.00 34.15 C ATOM 555 C MET A 34 -1.494 7.535 -9.196 1.00 15.23 C ATOM 556 O MET A 34 -2.718 7.397 -9.167 1.00 75.32 O ATOM 557 CB MET A 34 -0.331 5.321 -9.242 1.00 72.24 C ATOM 558 CG MET A 34 -1.349 4.222 -9.477 1.00 22.42 C ATOM 559 SD MET A 34 -1.459 3.746 -11.212 1.00 72.33 S ATOM 560 CE MET A 34 -2.711 2.465 -11.139 1.00 4.13 C ATOM 0 H MET A 34 1.459 6.824 -9.978 1.00 24.10 H new ATOM 0 HA MET A 34 -1.159 6.351 -10.941 1.00 34.15 H new ATOM 0 HB2 MET A 34 0.658 4.953 -9.515 1.00 72.24 H new ATOM 0 HB3 MET A 34 -0.301 5.556 -8.178 1.00 72.24 H new ATOM 0 HG2 MET A 34 -1.082 3.350 -8.880 1.00 22.42 H new ATOM 0 HG3 MET A 34 -2.327 4.557 -9.132 1.00 22.42 H new ATOM 0 HE1 MET A 34 -2.454 1.665 -11.834 1.00 4.13 H new ATOM 0 HE2 MET A 34 -2.762 2.064 -10.127 1.00 4.13 H new ATOM 0 HE3 MET A 34 -3.679 2.886 -11.412 1.00 4.13 H new ATOM 570 N GLY A 35 -0.859 8.480 -8.515 1.00 41.23 N ATOM 571 CA GLY A 35 -1.596 9.448 -7.727 1.00 34.31 C ATOM 572 C GLY A 35 -1.269 9.372 -6.252 1.00 12.44 C ATOM 573 O GLY A 35 -1.913 10.030 -5.437 1.00 34.55 O ATOM 0 H GLY A 35 0.154 8.593 -8.494 1.00 41.23 H new ATOM 0 HA2 GLY A 35 -1.376 10.451 -8.092 1.00 34.31 H new ATOM 0 HA3 GLY A 35 -2.665 9.286 -7.867 1.00 34.31 H new ATOM 577 N ILE A 36 -0.267 8.581 -5.904 1.00 2.21 N ATOM 578 CA ILE A 36 0.134 8.432 -4.515 1.00 64.02 C ATOM 579 C ILE A 36 1.420 9.207 -4.266 1.00 64.21 C ATOM 580 O ILE A 36 2.362 9.125 -5.052 1.00 42.44 O ATOM 581 CB ILE A 36 0.353 6.951 -4.151 1.00 15.21 C ATOM 582 CG1 ILE A 36 -0.853 6.119 -4.591 1.00 13.43 C ATOM 583 CG2 ILE A 36 0.583 6.805 -2.654 1.00 71.33 C ATOM 584 CD1 ILE A 36 -0.610 4.627 -4.547 1.00 33.53 C ATOM 0 H ILE A 36 0.283 8.032 -6.565 1.00 2.21 H new ATOM 0 HA ILE A 36 -0.667 8.826 -3.889 1.00 64.02 H new ATOM 0 HB ILE A 36 1.238 6.586 -4.673 1.00 15.21 H new ATOM 0 HG12 ILE A 36 -1.702 6.359 -3.951 1.00 13.43 H new ATOM 0 HG13 ILE A 36 -1.129 6.404 -5.606 1.00 13.43 H new ATOM 0 HG21 ILE A 36 0.736 5.754 -2.410 1.00 71.33 H new ATOM 0 HG22 ILE A 36 1.464 7.377 -2.364 1.00 71.33 H new ATOM 0 HG23 ILE A 36 -0.287 7.179 -2.114 1.00 71.33 H new ATOM 0 HD11 ILE A 36 -1.508 4.102 -4.872 1.00 33.53 H new ATOM 0 HD12 ILE A 36 0.218 4.374 -5.209 1.00 33.53 H new ATOM 0 HD13 ILE A 36 -0.364 4.328 -3.528 1.00 33.53 H new ATOM 596 N VAL A 37 1.454 9.969 -3.188 1.00 1.42 N ATOM 597 CA VAL A 37 2.619 10.790 -2.889 1.00 20.25 C ATOM 598 C VAL A 37 3.106 10.596 -1.452 1.00 61.24 C ATOM 599 O VAL A 37 3.978 9.770 -1.198 1.00 52.24 O ATOM 600 CB VAL A 37 2.351 12.290 -3.172 1.00 43.24 C ATOM 601 CG1 VAL A 37 2.576 12.600 -4.644 1.00 70.24 C ATOM 602 CG2 VAL A 37 0.932 12.682 -2.770 1.00 33.41 C ATOM 0 H VAL A 37 0.697 10.038 -2.508 1.00 1.42 H new ATOM 0 HA VAL A 37 3.412 10.454 -3.557 1.00 20.25 H new ATOM 0 HB VAL A 37 3.051 12.873 -2.573 1.00 43.24 H new ATOM 0 HG11 VAL A 37 2.384 13.657 -4.827 1.00 70.24 H new ATOM 0 HG12 VAL A 37 3.607 12.367 -4.911 1.00 70.24 H new ATOM 0 HG13 VAL A 37 1.899 11.998 -5.250 1.00 70.24 H new ATOM 0 HG21 VAL A 37 0.773 13.740 -2.980 1.00 33.41 H new ATOM 0 HG22 VAL A 37 0.216 12.088 -3.338 1.00 33.41 H new ATOM 0 HG23 VAL A 37 0.792 12.499 -1.705 1.00 33.41 H new ATOM 612 N ARG A 38 2.535 11.331 -0.513 1.00 3.34 N ATOM 613 CA ARG A 38 2.967 11.257 0.874 1.00 23.30 C ATOM 614 C ARG A 38 1.829 11.648 1.801 1.00 3.35 C ATOM 615 O ARG A 38 1.342 12.777 1.764 1.00 54.30 O ATOM 616 CB ARG A 38 4.178 12.169 1.096 1.00 15.31 C ATOM 617 CG ARG A 38 4.680 12.201 2.531 1.00 33.24 C ATOM 618 CD ARG A 38 5.952 13.026 2.652 1.00 23.12 C ATOM 619 NE ARG A 38 7.083 12.389 1.976 1.00 30.50 N ATOM 620 CZ ARG A 38 7.777 12.950 0.983 1.00 51.31 C ATOM 621 NH1 ARG A 38 7.433 14.143 0.515 1.00 64.44 N ATOM 622 NH2 ARG A 38 8.808 12.304 0.453 1.00 34.25 N ATOM 0 H ARG A 38 1.772 11.986 -0.685 1.00 3.34 H new ATOM 0 HA ARG A 38 3.258 10.231 1.099 1.00 23.30 H new ATOM 0 HB2 ARG A 38 4.989 11.841 0.446 1.00 15.31 H new ATOM 0 HB3 ARG A 38 3.916 13.182 0.792 1.00 15.31 H new ATOM 0 HG2 ARG A 38 3.910 12.619 3.179 1.00 33.24 H new ATOM 0 HG3 ARG A 38 4.869 11.184 2.875 1.00 33.24 H new ATOM 0 HD2 ARG A 38 5.785 14.015 2.226 1.00 23.12 H new ATOM 0 HD3 ARG A 38 6.193 13.169 3.705 1.00 23.12 H new ATOM 0 HE ARG A 38 7.359 11.456 2.283 1.00 30.50 H new ATOM 0 HH11 ARG A 38 6.635 14.637 0.914 1.00 64.44 H new ATOM 0 HH12 ARG A 38 7.967 14.567 -0.244 1.00 64.44 H new ATOM 0 HH21 ARG A 38 9.068 11.382 0.804 1.00 34.25 H new ATOM 0 HH22 ARG A 38 9.341 12.729 -0.306 1.00 34.25 H new ATOM 636 N GLY A 39 1.409 10.712 2.633 1.00 5.04 N ATOM 637 CA GLY A 39 0.278 10.955 3.500 1.00 74.55 C ATOM 638 C GLY A 39 -1.012 10.479 2.875 1.00 21.11 C ATOM 639 O GLY A 39 -2.083 10.596 3.469 1.00 33.31 O ATOM 0 H GLY A 39 1.831 9.788 2.724 1.00 5.04 H new ATOM 0 HA2 GLY A 39 0.432 10.446 4.451 1.00 74.55 H new ATOM 0 HA3 GLY A 39 0.207 12.021 3.717 1.00 74.55 H new ATOM 643 N THR A 40 -0.906 9.952 1.661 1.00 12.43 N ATOM 644 CA THR A 40 -2.049 9.374 0.981 1.00 11.12 C ATOM 645 C THR A 40 -2.506 8.124 1.719 1.00 11.24 C ATOM 646 O THR A 40 -1.688 7.347 2.218 1.00 50.44 O ATOM 647 CB THR A 40 -1.709 9.009 -0.474 1.00 74.34 C ATOM 648 OG1 THR A 40 -0.921 10.055 -1.062 1.00 52.01 O ATOM 649 CG2 THR A 40 -2.972 8.805 -1.299 1.00 52.33 C ATOM 0 H THR A 40 -0.036 9.915 1.130 1.00 12.43 H new ATOM 0 HA THR A 40 -2.847 10.117 0.972 1.00 11.12 H new ATOM 0 HB THR A 40 -1.146 8.076 -0.468 1.00 74.34 H new ATOM 0 HG1 THR A 40 -1.209 10.200 -1.988 1.00 52.01 H new ATOM 0 HG21 THR A 40 -2.700 8.548 -2.323 1.00 52.33 H new ATOM 0 HG22 THR A 40 -3.562 7.997 -0.867 1.00 52.33 H new ATOM 0 HG23 THR A 40 -3.559 9.723 -1.299 1.00 52.33 H new ATOM 657 N GLU A 41 -3.807 7.950 1.799 1.00 4.45 N ATOM 658 CA GLU A 41 -4.393 6.839 2.507 1.00 51.44 C ATOM 659 C GLU A 41 -4.957 5.834 1.521 1.00 71.45 C ATOM 660 O GLU A 41 -5.720 6.186 0.616 1.00 25.43 O ATOM 661 CB GLU A 41 -5.468 7.360 3.451 1.00 62.25 C ATOM 662 CG GLU A 41 -4.906 8.227 4.567 1.00 25.44 C ATOM 663 CD GLU A 41 -5.973 9.009 5.303 1.00 33.20 C ATOM 664 OE1 GLU A 41 -6.435 10.034 4.761 1.00 64.45 O ATOM 665 OE2 GLU A 41 -6.349 8.613 6.426 1.00 41.43 O ATOM 0 H GLU A 41 -4.488 8.578 1.373 1.00 4.45 H new ATOM 0 HA GLU A 41 -3.632 6.329 3.098 1.00 51.44 H new ATOM 0 HB2 GLU A 41 -6.196 7.937 2.881 1.00 62.25 H new ATOM 0 HB3 GLU A 41 -6.002 6.516 3.887 1.00 62.25 H new ATOM 0 HG2 GLU A 41 -4.372 7.595 5.277 1.00 25.44 H new ATOM 0 HG3 GLU A 41 -4.178 8.922 4.148 1.00 25.44 H new ATOM 672 N ILE A 42 -4.562 4.592 1.696 1.00 12.23 N ATOM 673 CA ILE A 42 -4.885 3.544 0.751 1.00 2.00 C ATOM 674 C ILE A 42 -5.659 2.426 1.437 1.00 25.22 C ATOM 675 O ILE A 42 -5.321 2.015 2.550 1.00 22.34 O ATOM 676 CB ILE A 42 -3.598 2.967 0.126 1.00 73.12 C ATOM 677 CG1 ILE A 42 -2.814 4.067 -0.602 1.00 24.33 C ATOM 678 CG2 ILE A 42 -3.925 1.821 -0.823 1.00 60.31 C ATOM 679 CD1 ILE A 42 -1.480 3.604 -1.149 1.00 60.34 C ATOM 0 H ILE A 42 -4.009 4.280 2.495 1.00 12.23 H new ATOM 0 HA ILE A 42 -5.504 3.977 -0.035 1.00 2.00 H new ATOM 0 HB ILE A 42 -2.974 2.574 0.929 1.00 73.12 H new ATOM 0 HG12 ILE A 42 -3.420 4.450 -1.423 1.00 24.33 H new ATOM 0 HG13 ILE A 42 -2.647 4.897 0.085 1.00 24.33 H new ATOM 0 HG21 ILE A 42 -3.003 1.429 -1.252 1.00 60.31 H new ATOM 0 HG22 ILE A 42 -4.435 1.029 -0.275 1.00 60.31 H new ATOM 0 HG23 ILE A 42 -4.572 2.184 -1.622 1.00 60.31 H new ATOM 0 HD11 ILE A 42 -0.984 4.435 -1.650 1.00 60.34 H new ATOM 0 HD12 ILE A 42 -0.855 3.248 -0.330 1.00 60.34 H new ATOM 0 HD13 ILE A 42 -1.640 2.795 -1.861 1.00 60.34 H new ATOM 691 N TYR A 43 -6.702 1.948 0.780 1.00 51.00 N ATOM 692 CA TYR A 43 -7.494 0.859 1.314 1.00 14.20 C ATOM 693 C TYR A 43 -7.102 -0.447 0.636 1.00 72.43 C ATOM 694 O TYR A 43 -7.427 -0.674 -0.528 1.00 33.05 O ATOM 695 CB TYR A 43 -8.985 1.136 1.115 1.00 61.03 C ATOM 696 CG TYR A 43 -9.886 0.193 1.880 1.00 42.33 C ATOM 697 CD1 TYR A 43 -9.880 0.185 3.265 1.00 54.33 C ATOM 698 CD2 TYR A 43 -10.746 -0.675 1.220 1.00 11.45 C ATOM 699 CE1 TYR A 43 -10.705 -0.661 3.977 1.00 45.24 C ATOM 700 CE2 TYR A 43 -11.574 -1.527 1.925 1.00 34.03 C ATOM 701 CZ TYR A 43 -11.549 -1.516 3.304 1.00 22.40 C ATOM 702 OH TYR A 43 -12.380 -2.354 4.014 1.00 22.41 O ATOM 0 H TYR A 43 -7.018 2.299 -0.124 1.00 51.00 H new ATOM 0 HA TYR A 43 -7.301 0.774 2.383 1.00 14.20 H new ATOM 0 HB2 TYR A 43 -9.200 2.159 1.423 1.00 61.03 H new ATOM 0 HB3 TYR A 43 -9.220 1.067 0.053 1.00 61.03 H new ATOM 0 HD1 TYR A 43 -9.218 0.853 3.797 1.00 54.33 H new ATOM 0 HD2 TYR A 43 -10.768 -0.684 0.140 1.00 11.45 H new ATOM 0 HE1 TYR A 43 -10.689 -0.653 5.057 1.00 45.24 H new ATOM 0 HE2 TYR A 43 -12.237 -2.198 1.399 1.00 34.03 H new ATOM 0 HH TYR A 43 -12.912 -2.892 3.391 1.00 22.41 H new ATOM 712 N ILE A 44 -6.381 -1.289 1.356 1.00 33.20 N ATOM 713 CA ILE A 44 -5.943 -2.567 0.817 1.00 71.01 C ATOM 714 C ILE A 44 -7.132 -3.501 0.667 1.00 5.45 C ATOM 715 O ILE A 44 -7.826 -3.797 1.638 1.00 50.43 O ATOM 716 CB ILE A 44 -4.877 -3.233 1.715 1.00 1.44 C ATOM 717 CG1 ILE A 44 -3.684 -2.292 1.911 1.00 73.34 C ATOM 718 CG2 ILE A 44 -4.418 -4.558 1.114 1.00 73.42 C ATOM 719 CD1 ILE A 44 -3.028 -1.863 0.616 1.00 41.43 C ATOM 0 H ILE A 44 -6.086 -1.111 2.316 1.00 33.20 H new ATOM 0 HA ILE A 44 -5.493 -2.376 -0.157 1.00 71.01 H new ATOM 0 HB ILE A 44 -5.324 -3.436 2.688 1.00 1.44 H new ATOM 0 HG12 ILE A 44 -4.017 -1.405 2.450 1.00 73.34 H new ATOM 0 HG13 ILE A 44 -2.942 -2.786 2.538 1.00 73.34 H new ATOM 0 HG21 ILE A 44 -3.667 -5.011 1.762 1.00 73.42 H new ATOM 0 HG22 ILE A 44 -5.271 -5.230 1.022 1.00 73.42 H new ATOM 0 HG23 ILE A 44 -3.987 -4.381 0.128 1.00 73.42 H new ATOM 0 HD11 ILE A 44 -2.192 -1.198 0.834 1.00 41.43 H new ATOM 0 HD12 ILE A 44 -2.664 -2.742 0.084 1.00 41.43 H new ATOM 0 HD13 ILE A 44 -3.755 -1.339 -0.004 1.00 41.43 H new ATOM 731 N GLU A 45 -7.371 -3.946 -0.554 1.00 25.02 N ATOM 732 CA GLU A 45 -8.498 -4.814 -0.839 1.00 50.41 C ATOM 733 C GLU A 45 -8.098 -6.276 -0.686 1.00 63.31 C ATOM 734 O GLU A 45 -8.571 -6.968 0.217 1.00 32.14 O ATOM 735 CB GLU A 45 -9.013 -4.544 -2.255 1.00 1.53 C ATOM 736 CG GLU A 45 -10.155 -5.450 -2.683 1.00 65.45 C ATOM 737 CD GLU A 45 -10.649 -5.133 -4.076 1.00 13.11 C ATOM 738 OE1 GLU A 45 -9.861 -5.262 -5.035 1.00 13.32 O ATOM 739 OE2 GLU A 45 -11.827 -4.749 -4.217 1.00 1.22 O ATOM 0 H GLU A 45 -6.797 -3.719 -1.366 1.00 25.02 H new ATOM 0 HA GLU A 45 -9.296 -4.604 -0.126 1.00 50.41 H new ATOM 0 HB2 GLU A 45 -9.343 -3.507 -2.319 1.00 1.53 H new ATOM 0 HB3 GLU A 45 -8.188 -4.660 -2.958 1.00 1.53 H new ATOM 0 HG2 GLU A 45 -9.826 -6.488 -2.644 1.00 65.45 H new ATOM 0 HG3 GLU A 45 -10.979 -5.350 -1.976 1.00 65.45 H new ATOM 746 N GLY A 46 -7.208 -6.730 -1.549 1.00 52.15 N ATOM 747 CA GLY A 46 -6.794 -8.114 -1.522 1.00 43.43 C ATOM 748 C GLY A 46 -5.460 -8.320 -2.202 1.00 11.33 C ATOM 749 O GLY A 46 -4.908 -7.390 -2.786 1.00 21.12 O ATOM 0 H GLY A 46 -6.763 -6.163 -2.271 1.00 52.15 H new ATOM 0 HA2 GLY A 46 -6.730 -8.453 -0.488 1.00 43.43 H new ATOM 0 HA3 GLY A 46 -7.549 -8.728 -2.012 1.00 43.43 H new ATOM 753 N LYS A 47 -4.934 -9.527 -2.112 1.00 51.43 N ATOM 754 CA LYS A 47 -3.678 -9.864 -2.757 1.00 4.44 C ATOM 755 C LYS A 47 -3.854 -11.138 -3.565 1.00 31.33 C ATOM 756 O LYS A 47 -4.650 -12.002 -3.192 1.00 75.24 O ATOM 757 CB LYS A 47 -2.568 -10.048 -1.712 1.00 74.53 C ATOM 758 CG LYS A 47 -2.316 -8.807 -0.864 1.00 75.33 C ATOM 759 CD LYS A 47 -1.323 -9.070 0.260 1.00 32.44 C ATOM 760 CE LYS A 47 0.037 -9.494 -0.267 1.00 41.23 C ATOM 761 NZ LYS A 47 1.031 -9.646 0.827 1.00 60.31 N ATOM 0 H LYS A 47 -5.360 -10.296 -1.595 1.00 51.43 H new ATOM 0 HA LYS A 47 -3.389 -9.050 -3.421 1.00 4.44 H new ATOM 0 HB2 LYS A 47 -2.832 -10.878 -1.057 1.00 74.53 H new ATOM 0 HB3 LYS A 47 -1.644 -10.324 -2.220 1.00 74.53 H new ATOM 0 HG2 LYS A 47 -1.939 -8.005 -1.499 1.00 75.33 H new ATOM 0 HG3 LYS A 47 -3.259 -8.461 -0.440 1.00 75.33 H new ATOM 0 HD2 LYS A 47 -1.213 -8.169 0.864 1.00 32.44 H new ATOM 0 HD3 LYS A 47 -1.716 -9.847 0.916 1.00 32.44 H new ATOM 0 HE2 LYS A 47 -0.060 -10.438 -0.804 1.00 41.23 H new ATOM 0 HE3 LYS A 47 0.396 -8.755 -0.983 1.00 41.23 H new ATOM 0 HZ1 LYS A 47 1.655 -10.451 0.619 1.00 60.31 H new ATOM 0 HZ2 LYS A 47 1.599 -8.778 0.903 1.00 60.31 H new ATOM 0 HZ3 LYS A 47 0.535 -9.815 1.725 1.00 60.31 H new ATOM 775 N ALA A 48 -3.143 -11.242 -4.680 1.00 31.43 N ATOM 776 CA ALA A 48 -3.166 -12.455 -5.482 1.00 64.12 C ATOM 777 C ALA A 48 -2.588 -13.611 -4.673 1.00 12.42 C ATOM 778 O ALA A 48 -1.838 -13.381 -3.727 1.00 42.13 O ATOM 779 CB ALA A 48 -2.379 -12.248 -6.765 1.00 0.32 C ATOM 0 H ALA A 48 -2.545 -10.502 -5.048 1.00 31.43 H new ATOM 0 HA ALA A 48 -4.195 -12.694 -5.750 1.00 64.12 H new ATOM 0 HB1 ALA A 48 -2.403 -13.162 -7.358 1.00 0.32 H new ATOM 0 HB2 ALA A 48 -2.823 -11.433 -7.337 1.00 0.32 H new ATOM 0 HB3 ALA A 48 -1.346 -12.000 -6.522 1.00 0.32 H new ATOM 785 N PRO A 49 -2.932 -14.861 -5.019 1.00 0.14 N ATOM 786 CA PRO A 49 -2.462 -16.046 -4.291 1.00 22.41 C ATOM 787 C PRO A 49 -0.940 -16.086 -4.122 1.00 0.51 C ATOM 788 O PRO A 49 -0.432 -16.628 -3.138 1.00 0.44 O ATOM 789 CB PRO A 49 -2.938 -17.226 -5.149 1.00 73.24 C ATOM 790 CG PRO A 49 -3.413 -16.632 -6.435 1.00 71.32 C ATOM 791 CD PRO A 49 -3.827 -15.226 -6.123 1.00 14.03 C ATOM 0 HA PRO A 49 -2.853 -16.059 -3.274 1.00 22.41 H new ATOM 0 HB2 PRO A 49 -2.128 -17.935 -5.322 1.00 73.24 H new ATOM 0 HB3 PRO A 49 -3.739 -17.772 -4.652 1.00 73.24 H new ATOM 0 HG2 PRO A 49 -2.622 -16.647 -7.185 1.00 71.32 H new ATOM 0 HG3 PRO A 49 -4.249 -17.202 -6.841 1.00 71.32 H new ATOM 0 HD2 PRO A 49 -3.700 -14.567 -6.982 1.00 14.03 H new ATOM 0 HD3 PRO A 49 -4.875 -15.169 -5.830 1.00 14.03 H new ATOM 799 N MET A 50 -0.218 -15.501 -5.072 1.00 5.20 N ATOM 800 CA MET A 50 1.244 -15.481 -5.029 1.00 42.30 C ATOM 801 C MET A 50 1.745 -14.353 -4.131 1.00 53.44 C ATOM 802 O MET A 50 2.941 -14.251 -3.855 1.00 74.03 O ATOM 803 CB MET A 50 1.835 -15.286 -6.434 1.00 14.42 C ATOM 804 CG MET A 50 1.248 -16.195 -7.501 1.00 44.13 C ATOM 805 SD MET A 50 -0.392 -15.665 -8.037 1.00 72.42 S ATOM 806 CE MET A 50 -0.714 -16.851 -9.339 1.00 60.32 C ATOM 0 H MET A 50 -0.620 -15.033 -5.884 1.00 5.20 H new ATOM 0 HA MET A 50 1.567 -16.442 -4.628 1.00 42.30 H new ATOM 0 HB2 MET A 50 1.685 -14.250 -6.736 1.00 14.42 H new ATOM 0 HB3 MET A 50 2.911 -15.451 -6.387 1.00 14.42 H new ATOM 0 HG2 MET A 50 1.917 -16.219 -8.361 1.00 44.13 H new ATOM 0 HG3 MET A 50 1.189 -17.212 -7.114 1.00 44.13 H new ATOM 0 HE1 MET A 50 -1.695 -16.657 -9.774 1.00 60.32 H new ATOM 0 HE2 MET A 50 0.050 -16.760 -10.111 1.00 60.32 H new ATOM 0 HE3 MET A 50 -0.693 -17.859 -8.926 1.00 60.32 H new ATOM 816 N GLY A 51 0.826 -13.504 -3.689 1.00 45.10 N ATOM 817 CA GLY A 51 1.197 -12.313 -2.951 1.00 33.03 C ATOM 818 C GLY A 51 1.467 -11.155 -3.889 1.00 43.33 C ATOM 819 O GLY A 51 1.636 -10.015 -3.463 1.00 74.54 O ATOM 0 H GLY A 51 -0.177 -13.621 -3.830 1.00 45.10 H new ATOM 0 HA2 GLY A 51 0.398 -12.046 -2.259 1.00 33.03 H new ATOM 0 HA3 GLY A 51 2.085 -12.514 -2.351 1.00 33.03 H new ATOM 823 N ASP A 52 1.490 -11.470 -5.176 1.00 12.31 N ATOM 824 CA ASP A 52 1.758 -10.497 -6.224 1.00 22.53 C ATOM 825 C ASP A 52 0.832 -10.745 -7.407 1.00 73.41 C ATOM 826 O ASP A 52 0.726 -11.874 -7.891 1.00 22.21 O ATOM 827 CB ASP A 52 3.224 -10.601 -6.660 1.00 62.41 C ATOM 828 CG ASP A 52 3.514 -9.901 -7.973 1.00 22.10 C ATOM 829 OD1 ASP A 52 3.703 -8.666 -7.980 1.00 55.44 O ATOM 830 OD2 ASP A 52 3.592 -10.592 -9.005 1.00 43.22 O ATOM 0 H ASP A 52 1.322 -12.414 -5.524 1.00 12.31 H new ATOM 0 HA ASP A 52 1.575 -9.492 -5.843 1.00 22.53 H new ATOM 0 HB2 ASP A 52 3.858 -10.175 -5.882 1.00 62.41 H new ATOM 0 HB3 ASP A 52 3.494 -11.653 -6.750 1.00 62.41 H new ATOM 835 N PRO A 53 0.137 -9.703 -7.886 1.00 33.33 N ATOM 836 CA PRO A 53 0.235 -8.352 -7.339 1.00 65.33 C ATOM 837 C PRO A 53 -0.722 -8.108 -6.170 1.00 23.05 C ATOM 838 O PRO A 53 -1.404 -9.026 -5.698 1.00 64.41 O ATOM 839 CB PRO A 53 -0.153 -7.492 -8.538 1.00 61.34 C ATOM 840 CG PRO A 53 -1.141 -8.316 -9.292 1.00 74.12 C ATOM 841 CD PRO A 53 -0.804 -9.762 -9.020 1.00 30.12 C ATOM 0 HA PRO A 53 1.222 -8.142 -6.926 1.00 65.33 H new ATOM 0 HB2 PRO A 53 -0.588 -6.544 -8.221 1.00 61.34 H new ATOM 0 HB3 PRO A 53 0.715 -7.255 -9.152 1.00 61.34 H new ATOM 0 HG2 PRO A 53 -2.158 -8.089 -8.971 1.00 74.12 H new ATOM 0 HG3 PRO A 53 -1.088 -8.101 -10.359 1.00 74.12 H new ATOM 0 HD2 PRO A 53 -1.694 -10.339 -8.770 1.00 30.12 H new ATOM 0 HD3 PRO A 53 -0.351 -10.237 -9.890 1.00 30.12 H new ATOM 849 N ILE A 54 -0.763 -6.867 -5.708 1.00 44.43 N ATOM 850 CA ILE A 54 -1.636 -6.479 -4.612 1.00 5.33 C ATOM 851 C ILE A 54 -2.709 -5.528 -5.134 1.00 1.12 C ATOM 852 O ILE A 54 -2.431 -4.683 -5.986 1.00 34.13 O ATOM 853 CB ILE A 54 -0.856 -5.785 -3.460 1.00 44.33 C ATOM 854 CG1 ILE A 54 0.251 -6.692 -2.903 1.00 32.42 C ATOM 855 CG2 ILE A 54 -1.800 -5.374 -2.336 1.00 24.02 C ATOM 856 CD1 ILE A 54 1.535 -6.673 -3.708 1.00 42.34 C ATOM 0 H ILE A 54 -0.196 -6.105 -6.080 1.00 44.43 H new ATOM 0 HA ILE A 54 -2.087 -7.387 -4.211 1.00 5.33 H new ATOM 0 HB ILE A 54 -0.390 -4.892 -3.878 1.00 44.33 H new ATOM 0 HG12 ILE A 54 0.473 -6.389 -1.880 1.00 32.42 H new ATOM 0 HG13 ILE A 54 -0.122 -7.715 -2.859 1.00 32.42 H new ATOM 0 HG21 ILE A 54 -1.231 -4.891 -1.542 1.00 24.02 H new ATOM 0 HG22 ILE A 54 -2.546 -4.679 -2.723 1.00 24.02 H new ATOM 0 HG23 ILE A 54 -2.299 -6.258 -1.939 1.00 24.02 H new ATOM 0 HD11 ILE A 54 2.264 -7.340 -3.247 1.00 42.34 H new ATOM 0 HD12 ILE A 54 1.331 -7.006 -4.726 1.00 42.34 H new ATOM 0 HD13 ILE A 54 1.935 -5.659 -3.731 1.00 42.34 H new ATOM 868 N ALA A 55 -3.928 -5.681 -4.644 1.00 15.21 N ATOM 869 CA ALA A 55 -5.029 -4.822 -5.052 1.00 42.14 C ATOM 870 C ALA A 55 -5.263 -3.717 -4.028 1.00 61.33 C ATOM 871 O ALA A 55 -5.771 -3.964 -2.930 1.00 0.42 O ATOM 872 CB ALA A 55 -6.296 -5.641 -5.243 1.00 42.41 C ATOM 0 H ALA A 55 -4.181 -6.395 -3.961 1.00 15.21 H new ATOM 0 HA ALA A 55 -4.765 -4.357 -6.002 1.00 42.14 H new ATOM 0 HB1 ALA A 55 -7.111 -4.985 -5.548 1.00 42.41 H new ATOM 0 HB2 ALA A 55 -6.129 -6.395 -6.013 1.00 42.41 H new ATOM 0 HB3 ALA A 55 -6.557 -6.132 -4.305 1.00 42.41 H new ATOM 878 N LEU A 56 -4.878 -2.505 -4.390 1.00 62.54 N ATOM 879 CA LEU A 56 -5.041 -1.352 -3.521 1.00 74.13 C ATOM 880 C LEU A 56 -6.184 -0.496 -4.030 1.00 2.22 C ATOM 881 O LEU A 56 -6.272 -0.218 -5.220 1.00 64.11 O ATOM 882 CB LEU A 56 -3.783 -0.476 -3.487 1.00 23.15 C ATOM 883 CG LEU A 56 -2.460 -1.146 -3.093 1.00 2.15 C ATOM 884 CD1 LEU A 56 -1.923 -2.022 -4.214 1.00 45.55 C ATOM 885 CD2 LEU A 56 -1.436 -0.085 -2.726 1.00 44.52 C ATOM 0 H LEU A 56 -4.446 -2.293 -5.289 1.00 62.54 H new ATOM 0 HA LEU A 56 -5.238 -1.729 -2.517 1.00 74.13 H new ATOM 0 HB2 LEU A 56 -3.654 -0.035 -4.475 1.00 23.15 H new ATOM 0 HB3 LEU A 56 -3.964 0.344 -2.792 1.00 23.15 H new ATOM 0 HG LEU A 56 -2.649 -1.786 -2.231 1.00 2.15 H new ATOM 0 HD11 LEU A 56 -0.985 -2.480 -3.900 1.00 45.55 H new ATOM 0 HD12 LEU A 56 -2.648 -2.802 -4.446 1.00 45.55 H new ATOM 0 HD13 LEU A 56 -1.750 -1.412 -5.101 1.00 45.55 H new ATOM 0 HD21 LEU A 56 -0.498 -0.565 -2.447 1.00 44.52 H new ATOM 0 HD22 LEU A 56 -1.268 0.570 -3.581 1.00 44.52 H new ATOM 0 HD23 LEU A 56 -1.806 0.503 -1.886 1.00 44.52 H new ATOM 897 N ARG A 57 -7.049 -0.070 -3.138 1.00 21.32 N ATOM 898 CA ARG A 57 -8.117 0.828 -3.515 1.00 23.55 C ATOM 899 C ARG A 57 -7.739 2.255 -3.182 1.00 45.53 C ATOM 900 O ARG A 57 -7.483 2.590 -2.023 1.00 62.42 O ATOM 901 CB ARG A 57 -9.429 0.459 -2.837 1.00 72.43 C ATOM 902 CG ARG A 57 -10.058 -0.799 -3.388 1.00 31.14 C ATOM 903 CD ARG A 57 -11.543 -0.841 -3.085 1.00 61.32 C ATOM 904 NE ARG A 57 -12.189 -2.000 -3.691 1.00 63.42 N ATOM 905 CZ ARG A 57 -13.346 -1.952 -4.348 1.00 55.41 C ATOM 906 NH1 ARG A 57 -14.000 -0.804 -4.472 1.00 62.14 N ATOM 907 NH2 ARG A 57 -13.834 -3.057 -4.886 1.00 42.33 N ATOM 0 H ARG A 57 -7.035 -0.329 -2.152 1.00 21.32 H new ATOM 0 HA ARG A 57 -8.264 0.736 -4.591 1.00 23.55 H new ATOM 0 HB2 ARG A 57 -9.253 0.330 -1.769 1.00 72.43 H new ATOM 0 HB3 ARG A 57 -10.131 1.285 -2.947 1.00 72.43 H new ATOM 0 HG2 ARG A 57 -9.902 -0.846 -4.466 1.00 31.14 H new ATOM 0 HG3 ARG A 57 -9.570 -1.673 -2.956 1.00 31.14 H new ATOM 0 HD2 ARG A 57 -11.693 -0.865 -2.006 1.00 61.32 H new ATOM 0 HD3 ARG A 57 -12.014 0.071 -3.452 1.00 61.32 H new ATOM 0 HE ARG A 57 -11.725 -2.904 -3.606 1.00 63.42 H new ATOM 0 HH11 ARG A 57 -13.617 0.048 -4.063 1.00 62.14 H new ATOM 0 HH12 ARG A 57 -14.886 -0.774 -4.977 1.00 62.14 H new ATOM 0 HH21 ARG A 57 -13.325 -3.936 -4.796 1.00 42.33 H new ATOM 0 HH22 ARG A 57 -14.720 -3.030 -5.391 1.00 42.33 H new ATOM 921 N LEU A 58 -7.700 3.083 -4.205 1.00 4.40 N ATOM 922 CA LEU A 58 -7.320 4.470 -4.049 1.00 12.41 C ATOM 923 C LEU A 58 -8.210 5.352 -4.907 1.00 61.45 C ATOM 924 O LEU A 58 -8.594 4.971 -6.016 1.00 42.31 O ATOM 925 CB LEU A 58 -5.837 4.666 -4.404 1.00 63.00 C ATOM 926 CG LEU A 58 -5.401 4.142 -5.779 1.00 65.52 C ATOM 927 CD1 LEU A 58 -5.534 5.225 -6.845 1.00 62.41 C ATOM 928 CD2 LEU A 58 -3.975 3.621 -5.720 1.00 60.43 C ATOM 0 H LEU A 58 -7.929 2.815 -5.162 1.00 4.40 H new ATOM 0 HA LEU A 58 -7.454 4.759 -3.007 1.00 12.41 H new ATOM 0 HB2 LEU A 58 -5.609 5.731 -4.354 1.00 63.00 H new ATOM 0 HB3 LEU A 58 -5.233 4.174 -3.641 1.00 63.00 H new ATOM 0 HG LEU A 58 -6.060 3.319 -6.053 1.00 65.52 H new ATOM 0 HD11 LEU A 58 -5.219 4.827 -7.809 1.00 62.41 H new ATOM 0 HD12 LEU A 58 -6.573 5.548 -6.908 1.00 62.41 H new ATOM 0 HD13 LEU A 58 -4.905 6.075 -6.580 1.00 62.41 H new ATOM 0 HD21 LEU A 58 -3.681 3.253 -6.703 1.00 60.43 H new ATOM 0 HD22 LEU A 58 -3.305 4.427 -5.419 1.00 60.43 H new ATOM 0 HD23 LEU A 58 -3.914 2.809 -4.996 1.00 60.43 H new ATOM 940 N ARG A 59 -8.576 6.501 -4.351 1.00 10.13 N ATOM 941 CA ARG A 59 -9.388 7.504 -5.045 1.00 31.04 C ATOM 942 C ARG A 59 -10.809 6.993 -5.337 1.00 12.15 C ATOM 943 O ARG A 59 -11.631 7.713 -5.910 1.00 33.14 O ATOM 944 CB ARG A 59 -8.698 7.941 -6.342 1.00 52.15 C ATOM 945 CG ARG A 59 -9.181 9.281 -6.875 1.00 34.34 C ATOM 946 CD ARG A 59 -8.446 9.673 -8.145 1.00 44.34 C ATOM 947 NE ARG A 59 -6.993 9.630 -7.972 1.00 31.30 N ATOM 948 CZ ARG A 59 -6.255 10.657 -7.552 1.00 63.42 C ATOM 949 NH1 ARG A 59 -6.816 11.835 -7.308 1.00 41.14 N ATOM 950 NH2 ARG A 59 -4.950 10.500 -7.387 1.00 4.51 N ATOM 0 H ARG A 59 -8.318 6.768 -3.401 1.00 10.13 H new ATOM 0 HA ARG A 59 -9.483 8.365 -4.383 1.00 31.04 H new ATOM 0 HB2 ARG A 59 -7.623 7.996 -6.170 1.00 52.15 H new ATOM 0 HB3 ARG A 59 -8.860 7.178 -7.103 1.00 52.15 H new ATOM 0 HG2 ARG A 59 -10.251 9.230 -7.074 1.00 34.34 H new ATOM 0 HG3 ARG A 59 -9.034 10.050 -6.116 1.00 34.34 H new ATOM 0 HD2 ARG A 59 -8.735 9.001 -8.953 1.00 44.34 H new ATOM 0 HD3 ARG A 59 -8.746 10.678 -8.443 1.00 44.34 H new ATOM 0 HE ARG A 59 -6.514 8.756 -8.187 1.00 31.30 H new ATOM 0 HH11 ARG A 59 -7.820 11.959 -7.442 1.00 41.14 H new ATOM 0 HH12 ARG A 59 -6.244 12.616 -6.987 1.00 41.14 H new ATOM 0 HH21 ARG A 59 -4.516 9.597 -7.581 1.00 4.51 H new ATOM 0 HH22 ARG A 59 -4.379 11.282 -7.066 1.00 4.51 H new ATOM 964 N GLY A 60 -11.101 5.756 -4.942 1.00 12.40 N ATOM 965 CA GLY A 60 -12.433 5.219 -5.133 1.00 55.25 C ATOM 966 C GLY A 60 -12.453 3.726 -5.399 1.00 41.25 C ATOM 967 O GLY A 60 -13.167 2.982 -4.721 1.00 41.51 O ATOM 0 H GLY A 60 -10.440 5.120 -4.495 1.00 12.40 H new ATOM 0 HA2 GLY A 60 -13.031 5.430 -4.247 1.00 55.25 H new ATOM 0 HA3 GLY A 60 -12.907 5.735 -5.968 1.00 55.25 H new ATOM 971 N TYR A 61 -11.670 3.279 -6.370 1.00 13.05 N ATOM 972 CA TYR A 61 -11.718 1.886 -6.800 1.00 4.30 C ATOM 973 C TYR A 61 -10.365 1.199 -6.641 1.00 42.24 C ATOM 974 O TYR A 61 -9.385 1.821 -6.230 1.00 23.22 O ATOM 975 CB TYR A 61 -12.210 1.783 -8.250 1.00 54.42 C ATOM 976 CG TYR A 61 -11.406 2.593 -9.247 1.00 63.32 C ATOM 977 CD1 TYR A 61 -11.619 3.958 -9.395 1.00 63.01 C ATOM 978 CD2 TYR A 61 -10.438 1.991 -10.038 1.00 43.22 C ATOM 979 CE1 TYR A 61 -10.891 4.698 -10.305 1.00 63.34 C ATOM 980 CE2 TYR A 61 -9.706 2.725 -10.949 1.00 21.04 C ATOM 981 CZ TYR A 61 -9.935 4.079 -11.079 1.00 14.14 C ATOM 982 OH TYR A 61 -9.202 4.815 -11.984 1.00 10.21 O ATOM 0 H TYR A 61 -10.996 3.856 -6.874 1.00 13.05 H new ATOM 0 HA TYR A 61 -12.427 1.368 -6.154 1.00 4.30 H new ATOM 0 HB2 TYR A 61 -12.191 0.736 -8.553 1.00 54.42 H new ATOM 0 HB3 TYR A 61 -13.250 2.108 -8.291 1.00 54.42 H new ATOM 0 HD1 TYR A 61 -12.366 4.448 -8.788 1.00 63.01 H new ATOM 0 HD2 TYR A 61 -10.254 0.931 -9.939 1.00 43.22 H new ATOM 0 HE1 TYR A 61 -11.070 5.758 -10.409 1.00 63.34 H new ATOM 0 HE2 TYR A 61 -8.957 2.241 -11.558 1.00 21.04 H new ATOM 0 HH TYR A 61 -8.570 4.227 -12.448 1.00 10.21 H new ATOM 992 N SER A 62 -10.332 -0.090 -6.958 1.00 51.34 N ATOM 993 CA SER A 62 -9.144 -0.912 -6.769 1.00 4.14 C ATOM 994 C SER A 62 -8.216 -0.871 -7.978 1.00 71.12 C ATOM 995 O SER A 62 -8.656 -0.834 -9.129 1.00 1.51 O ATOM 996 CB SER A 62 -9.560 -2.353 -6.483 1.00 42.13 C ATOM 997 OG SER A 62 -8.454 -3.188 -6.179 1.00 3.33 O ATOM 0 H SER A 62 -11.127 -0.593 -7.352 1.00 51.34 H new ATOM 0 HA SER A 62 -8.592 -0.506 -5.922 1.00 4.14 H new ATOM 0 HB2 SER A 62 -10.261 -2.366 -5.649 1.00 42.13 H new ATOM 0 HB3 SER A 62 -10.087 -2.754 -7.349 1.00 42.13 H new ATOM 0 HG SER A 62 -8.767 -3.986 -5.704 1.00 3.33 H new ATOM 1003 N LEU A 63 -6.931 -0.883 -7.678 1.00 15.33 N ATOM 1004 CA LEU A 63 -5.865 -0.919 -8.672 1.00 21.45 C ATOM 1005 C LEU A 63 -4.826 -1.951 -8.246 1.00 25.32 C ATOM 1006 O LEU A 63 -4.554 -2.103 -7.058 1.00 45.42 O ATOM 1007 CB LEU A 63 -5.171 0.449 -8.826 1.00 14.43 C ATOM 1008 CG LEU A 63 -5.963 1.560 -9.532 1.00 44.25 C ATOM 1009 CD1 LEU A 63 -6.576 1.049 -10.829 1.00 23.25 C ATOM 1010 CD2 LEU A 63 -7.025 2.153 -8.616 1.00 54.33 C ATOM 0 H LEU A 63 -6.588 -0.868 -6.718 1.00 15.33 H new ATOM 0 HA LEU A 63 -6.311 -1.181 -9.631 1.00 21.45 H new ATOM 0 HB2 LEU A 63 -4.901 0.805 -7.832 1.00 14.43 H new ATOM 0 HB3 LEU A 63 -4.241 0.297 -9.373 1.00 14.43 H new ATOM 0 HG LEU A 63 -5.265 2.359 -9.782 1.00 44.25 H new ATOM 0 HD11 LEU A 63 -7.132 1.854 -11.311 1.00 23.25 H new ATOM 0 HD12 LEU A 63 -5.784 0.705 -11.495 1.00 23.25 H new ATOM 0 HD13 LEU A 63 -7.251 0.222 -10.611 1.00 23.25 H new ATOM 0 HD21 LEU A 63 -7.567 2.936 -9.146 1.00 54.33 H new ATOM 0 HD22 LEU A 63 -7.721 1.371 -8.313 1.00 54.33 H new ATOM 0 HD23 LEU A 63 -6.548 2.577 -7.732 1.00 54.33 H new ATOM 1022 N SER A 64 -4.250 -2.659 -9.199 1.00 22.32 N ATOM 1023 CA SER A 64 -3.270 -3.679 -8.888 1.00 4.31 C ATOM 1024 C SER A 64 -1.843 -3.169 -9.082 1.00 52.03 C ATOM 1025 O SER A 64 -1.461 -2.747 -10.176 1.00 13.32 O ATOM 1026 CB SER A 64 -3.531 -4.909 -9.750 1.00 25.14 C ATOM 1027 OG SER A 64 -4.064 -4.545 -11.015 1.00 51.13 O ATOM 0 H SER A 64 -4.444 -2.546 -10.194 1.00 22.32 H new ATOM 0 HA SER A 64 -3.370 -3.947 -7.836 1.00 4.31 H new ATOM 0 HB2 SER A 64 -2.602 -5.463 -9.889 1.00 25.14 H new ATOM 0 HB3 SER A 64 -4.225 -5.575 -9.238 1.00 25.14 H new ATOM 0 HG SER A 64 -4.220 -5.352 -11.549 1.00 51.13 H new ATOM 1033 N LEU A 65 -1.070 -3.187 -8.003 1.00 64.25 N ATOM 1034 CA LEU A 65 0.343 -2.829 -8.052 1.00 45.43 C ATOM 1035 C LEU A 65 1.187 -4.052 -7.720 1.00 70.51 C ATOM 1036 O LEU A 65 0.742 -4.936 -6.984 1.00 34.43 O ATOM 1037 CB LEU A 65 0.668 -1.684 -7.079 1.00 11.34 C ATOM 1038 CG LEU A 65 0.256 -0.275 -7.532 1.00 21.54 C ATOM 1039 CD1 LEU A 65 -1.255 -0.098 -7.503 1.00 53.11 C ATOM 1040 CD2 LEU A 65 0.931 0.777 -6.663 1.00 12.24 C ATOM 0 H LEU A 65 -1.402 -3.448 -7.075 1.00 64.25 H new ATOM 0 HA LEU A 65 0.574 -2.483 -9.059 1.00 45.43 H new ATOM 0 HB2 LEU A 65 0.181 -1.894 -6.127 1.00 11.34 H new ATOM 0 HB3 LEU A 65 1.742 -1.685 -6.895 1.00 11.34 H new ATOM 0 HG LEU A 65 0.584 -0.147 -8.564 1.00 21.54 H new ATOM 0 HD11 LEU A 65 -1.510 0.910 -7.830 1.00 53.11 H new ATOM 0 HD12 LEU A 65 -1.719 -0.824 -8.171 1.00 53.11 H new ATOM 0 HD13 LEU A 65 -1.620 -0.254 -6.488 1.00 53.11 H new ATOM 0 HD21 LEU A 65 0.630 1.771 -6.995 1.00 12.24 H new ATOM 0 HD22 LEU A 65 0.633 0.636 -5.624 1.00 12.24 H new ATOM 0 HD23 LEU A 65 2.013 0.678 -6.747 1.00 12.24 H new ATOM 1052 N ARG A 66 2.395 -4.103 -8.255 1.00 4.32 N ATOM 1053 CA ARG A 66 3.245 -5.275 -8.104 1.00 0.14 C ATOM 1054 C ARG A 66 3.855 -5.355 -6.707 1.00 24.54 C ATOM 1055 O ARG A 66 3.943 -4.356 -5.987 1.00 75.22 O ATOM 1056 CB ARG A 66 4.359 -5.276 -9.153 1.00 15.33 C ATOM 1057 CG ARG A 66 3.858 -5.260 -10.588 1.00 21.32 C ATOM 1058 CD ARG A 66 2.894 -6.401 -10.868 1.00 13.05 C ATOM 1059 NE ARG A 66 3.499 -7.715 -10.635 1.00 44.21 N ATOM 1060 CZ ARG A 66 4.080 -8.449 -11.586 1.00 71.43 C ATOM 1061 NH1 ARG A 66 4.241 -7.957 -12.806 1.00 71.13 N ATOM 1062 NH2 ARG A 66 4.512 -9.669 -11.307 1.00 75.02 N ATOM 0 H ARG A 66 2.811 -3.347 -8.798 1.00 4.32 H new ATOM 0 HA ARG A 66 2.612 -6.150 -8.251 1.00 0.14 H new ATOM 0 HB2 ARG A 66 4.996 -4.406 -8.992 1.00 15.33 H new ATOM 0 HB3 ARG A 66 4.981 -6.159 -9.006 1.00 15.33 H new ATOM 0 HG2 ARG A 66 3.363 -4.310 -10.788 1.00 21.32 H new ATOM 0 HG3 ARG A 66 4.707 -5.327 -11.269 1.00 21.32 H new ATOM 0 HD2 ARG A 66 2.013 -6.292 -10.235 1.00 13.05 H new ATOM 0 HD3 ARG A 66 2.553 -6.339 -11.901 1.00 13.05 H new ATOM 0 HE ARG A 66 3.475 -8.092 -9.688 1.00 44.21 H new ATOM 0 HH11 ARG A 66 3.920 -7.013 -13.022 1.00 71.13 H new ATOM 0 HH12 ARG A 66 4.686 -8.522 -13.529 1.00 71.13 H new ATOM 0 HH21 ARG A 66 4.401 -10.047 -10.366 1.00 75.02 H new ATOM 0 HH22 ARG A 66 4.956 -10.231 -12.033 1.00 75.02 H new ATOM 1076 N LYS A 67 4.283 -6.556 -6.345 1.00 40.12 N ATOM 1077 CA LYS A 67 4.899 -6.821 -5.051 1.00 5.52 C ATOM 1078 C LYS A 67 6.187 -6.014 -4.893 1.00 12.12 C ATOM 1079 O LYS A 67 6.535 -5.580 -3.791 1.00 31.24 O ATOM 1080 CB LYS A 67 5.190 -8.321 -4.935 1.00 44.41 C ATOM 1081 CG LYS A 67 4.833 -8.921 -3.586 1.00 32.02 C ATOM 1082 CD LYS A 67 5.928 -8.713 -2.555 1.00 2.31 C ATOM 1083 CE LYS A 67 7.150 -9.567 -2.857 1.00 20.12 C ATOM 1084 NZ LYS A 67 8.135 -9.539 -1.744 1.00 60.34 N ATOM 0 H LYS A 67 4.213 -7.379 -6.943 1.00 40.12 H new ATOM 0 HA LYS A 67 4.216 -6.520 -4.257 1.00 5.52 H new ATOM 0 HB2 LYS A 67 4.637 -8.848 -5.713 1.00 44.41 H new ATOM 0 HB3 LYS A 67 6.250 -8.490 -5.127 1.00 44.41 H new ATOM 0 HG2 LYS A 67 3.907 -8.473 -3.225 1.00 32.02 H new ATOM 0 HG3 LYS A 67 4.646 -9.988 -3.704 1.00 32.02 H new ATOM 0 HD2 LYS A 67 6.214 -7.661 -2.534 1.00 2.31 H new ATOM 0 HD3 LYS A 67 5.547 -8.959 -1.564 1.00 2.31 H new ATOM 0 HE2 LYS A 67 6.838 -10.595 -3.040 1.00 20.12 H new ATOM 0 HE3 LYS A 67 7.625 -9.211 -3.771 1.00 20.12 H new ATOM 0 HZ1 LYS A 67 8.953 -10.133 -1.989 1.00 60.34 H new ATOM 0 HZ2 LYS A 67 8.452 -8.561 -1.586 1.00 60.34 H new ATOM 0 HZ3 LYS A 67 7.690 -9.903 -0.877 1.00 60.34 H new ATOM 1098 N SER A 68 6.888 -5.813 -6.004 1.00 31.25 N ATOM 1099 CA SER A 68 8.117 -5.032 -6.006 1.00 35.12 C ATOM 1100 C SER A 68 7.823 -3.535 -5.853 1.00 42.11 C ATOM 1101 O SER A 68 8.577 -2.817 -5.194 1.00 1.33 O ATOM 1102 CB SER A 68 8.906 -5.305 -7.288 1.00 73.23 C ATOM 1103 OG SER A 68 9.183 -6.691 -7.414 1.00 14.34 O ATOM 0 H SER A 68 6.624 -6.182 -6.917 1.00 31.25 H new ATOM 0 HA SER A 68 8.721 -5.336 -5.151 1.00 35.12 H new ATOM 0 HB2 SER A 68 8.338 -4.961 -8.152 1.00 73.23 H new ATOM 0 HB3 SER A 68 9.839 -4.741 -7.275 1.00 73.23 H new ATOM 0 HG SER A 68 9.687 -6.850 -8.240 1.00 14.34 H new ATOM 1109 N GLU A 69 6.718 -3.075 -6.440 1.00 64.42 N ATOM 1110 CA GLU A 69 6.301 -1.676 -6.303 1.00 63.23 C ATOM 1111 C GLU A 69 5.830 -1.426 -4.877 1.00 65.52 C ATOM 1112 O GLU A 69 6.168 -0.418 -4.259 1.00 41.21 O ATOM 1113 CB GLU A 69 5.169 -1.350 -7.285 1.00 33.24 C ATOM 1114 CG GLU A 69 5.495 -1.674 -8.734 1.00 53.33 C ATOM 1115 CD GLU A 69 4.353 -1.350 -9.681 1.00 14.44 C ATOM 1116 OE1 GLU A 69 3.389 -2.139 -9.746 1.00 61.31 O ATOM 1117 OE2 GLU A 69 4.416 -0.317 -10.375 1.00 3.42 O ATOM 0 H GLU A 69 6.097 -3.646 -7.013 1.00 64.42 H new ATOM 0 HA GLU A 69 7.151 -1.033 -6.529 1.00 63.23 H new ATOM 0 HB2 GLU A 69 4.277 -1.903 -6.992 1.00 33.24 H new ATOM 0 HB3 GLU A 69 4.927 -0.290 -7.206 1.00 33.24 H new ATOM 0 HG2 GLU A 69 6.381 -1.115 -9.036 1.00 53.33 H new ATOM 0 HG3 GLU A 69 5.742 -2.732 -8.818 1.00 53.33 H new ATOM 1124 N ALA A 70 5.061 -2.375 -4.357 1.00 32.22 N ATOM 1125 CA ALA A 70 4.586 -2.331 -2.981 1.00 54.04 C ATOM 1126 C ALA A 70 5.753 -2.378 -1.995 1.00 51.41 C ATOM 1127 O ALA A 70 5.618 -2.002 -0.834 1.00 34.40 O ATOM 1128 CB ALA A 70 3.620 -3.476 -2.729 1.00 63.45 C ATOM 0 H ALA A 70 4.750 -3.195 -4.877 1.00 32.22 H new ATOM 0 HA ALA A 70 4.061 -1.388 -2.826 1.00 54.04 H new ATOM 0 HB1 ALA A 70 3.269 -3.436 -1.698 1.00 63.45 H new ATOM 0 HB2 ALA A 70 2.769 -3.390 -3.405 1.00 63.45 H new ATOM 0 HB3 ALA A 70 4.127 -4.425 -2.903 1.00 63.45 H new ATOM 1134 N LYS A 71 6.890 -2.876 -2.461 1.00 23.21 N ATOM 1135 CA LYS A 71 8.103 -2.911 -1.652 1.00 43.24 C ATOM 1136 C LYS A 71 8.658 -1.507 -1.462 1.00 64.35 C ATOM 1137 O LYS A 71 9.191 -1.172 -0.407 1.00 22.35 O ATOM 1138 CB LYS A 71 9.165 -3.776 -2.326 1.00 55.51 C ATOM 1139 CG LYS A 71 10.451 -3.897 -1.525 1.00 54.10 C ATOM 1140 CD LYS A 71 11.591 -4.418 -2.382 1.00 5.22 C ATOM 1141 CE LYS A 71 12.472 -3.287 -2.910 1.00 43.43 C ATOM 1142 NZ LYS A 71 11.705 -2.248 -3.654 1.00 40.33 N ATOM 0 H LYS A 71 6.999 -3.263 -3.398 1.00 23.21 H new ATOM 0 HA LYS A 71 7.848 -3.335 -0.681 1.00 43.24 H new ATOM 0 HB2 LYS A 71 8.757 -4.773 -2.494 1.00 55.51 H new ATOM 0 HB3 LYS A 71 9.395 -3.356 -3.305 1.00 55.51 H new ATOM 0 HG2 LYS A 71 10.718 -2.923 -1.114 1.00 54.10 H new ATOM 0 HG3 LYS A 71 10.293 -4.567 -0.680 1.00 54.10 H new ATOM 0 HD2 LYS A 71 12.199 -5.108 -1.797 1.00 5.22 H new ATOM 0 HD3 LYS A 71 11.185 -4.983 -3.221 1.00 5.22 H new ATOM 0 HE2 LYS A 71 12.991 -2.818 -2.074 1.00 43.43 H new ATOM 0 HE3 LYS A 71 13.236 -3.705 -3.565 1.00 43.43 H new ATOM 0 HZ1 LYS A 71 12.365 -1.563 -4.074 1.00 40.33 H new ATOM 0 HZ2 LYS A 71 11.150 -2.700 -4.408 1.00 40.33 H new ATOM 0 HZ3 LYS A 71 11.064 -1.755 -3.000 1.00 40.33 H new ATOM 1156 N ASP A 72 8.520 -0.694 -2.495 1.00 30.13 N ATOM 1157 CA ASP A 72 9.066 0.657 -2.496 1.00 22.14 C ATOM 1158 C ASP A 72 8.109 1.641 -1.821 1.00 73.44 C ATOM 1159 O ASP A 72 8.265 2.860 -1.932 1.00 3.22 O ATOM 1160 CB ASP A 72 9.372 1.092 -3.936 1.00 32.01 C ATOM 1161 CG ASP A 72 10.650 0.469 -4.472 1.00 33.41 C ATOM 1162 OD1 ASP A 72 11.733 0.710 -3.895 1.00 10.52 O ATOM 1163 OD2 ASP A 72 10.584 -0.284 -5.464 1.00 23.11 O ATOM 0 H ASP A 72 8.030 -0.947 -3.353 1.00 30.13 H new ATOM 0 HA ASP A 72 9.993 0.658 -1.922 1.00 22.14 H new ATOM 0 HB2 ASP A 72 8.538 0.815 -4.581 1.00 32.01 H new ATOM 0 HB3 ASP A 72 9.457 2.178 -3.974 1.00 32.01 H new ATOM 1168 N ILE A 73 7.130 1.099 -1.103 1.00 53.13 N ATOM 1169 CA ILE A 73 6.173 1.908 -0.356 1.00 65.05 C ATOM 1170 C ILE A 73 6.148 1.467 1.104 1.00 10.01 C ATOM 1171 O ILE A 73 5.862 0.306 1.395 1.00 64.00 O ATOM 1172 CB ILE A 73 4.744 1.779 -0.930 1.00 64.52 C ATOM 1173 CG1 ILE A 73 4.733 2.074 -2.429 1.00 21.14 C ATOM 1174 CG2 ILE A 73 3.793 2.715 -0.198 1.00 3.14 C ATOM 1175 CD1 ILE A 73 3.386 1.857 -3.085 1.00 22.32 C ATOM 0 H ILE A 73 6.978 0.094 -1.023 1.00 53.13 H new ATOM 0 HA ILE A 73 6.492 2.947 -0.439 1.00 65.05 H new ATOM 0 HB ILE A 73 4.407 0.753 -0.782 1.00 64.52 H new ATOM 0 HG12 ILE A 73 5.042 3.107 -2.589 1.00 21.14 H new ATOM 0 HG13 ILE A 73 5.472 1.441 -2.920 1.00 21.14 H new ATOM 0 HG21 ILE A 73 2.790 2.613 -0.613 1.00 3.14 H new ATOM 0 HG22 ILE A 73 3.775 2.459 0.861 1.00 3.14 H new ATOM 0 HG23 ILE A 73 4.132 3.744 -0.317 1.00 3.14 H new ATOM 0 HD11 ILE A 73 3.458 2.087 -4.148 1.00 22.32 H new ATOM 0 HD12 ILE A 73 3.083 0.818 -2.958 1.00 22.32 H new ATOM 0 HD13 ILE A 73 2.646 2.510 -2.622 1.00 22.32 H new ATOM 1187 N LEU A 74 6.460 2.384 2.015 1.00 32.23 N ATOM 1188 CA LEU A 74 6.391 2.098 3.443 1.00 25.15 C ATOM 1189 C LEU A 74 5.148 2.748 4.045 1.00 75.14 C ATOM 1190 O LEU A 74 4.938 3.956 3.898 1.00 22.43 O ATOM 1191 CB LEU A 74 7.640 2.615 4.157 1.00 20.13 C ATOM 1192 CG LEU A 74 8.968 2.029 3.670 1.00 51.31 C ATOM 1193 CD1 LEU A 74 10.134 2.667 4.411 1.00 74.54 C ATOM 1194 CD2 LEU A 74 8.987 0.516 3.848 1.00 75.53 C ATOM 0 H LEU A 74 6.763 3.331 1.789 1.00 32.23 H new ATOM 0 HA LEU A 74 6.335 1.018 3.576 1.00 25.15 H new ATOM 0 HB2 LEU A 74 7.679 3.699 4.046 1.00 20.13 H new ATOM 0 HB3 LEU A 74 7.540 2.407 5.222 1.00 20.13 H new ATOM 0 HG LEU A 74 9.070 2.249 2.607 1.00 51.31 H new ATOM 0 HD11 LEU A 74 11.070 2.239 4.053 1.00 74.54 H new ATOM 0 HD12 LEU A 74 10.134 3.742 4.232 1.00 74.54 H new ATOM 0 HD13 LEU A 74 10.034 2.477 5.480 1.00 74.54 H new ATOM 0 HD21 LEU A 74 9.939 0.120 3.496 1.00 75.53 H new ATOM 0 HD22 LEU A 74 8.861 0.272 4.903 1.00 75.53 H new ATOM 0 HD23 LEU A 74 8.175 0.072 3.273 1.00 75.53 H new ATOM 1206 N VAL A 75 4.330 1.957 4.724 1.00 74.43 N ATOM 1207 CA VAL A 75 3.055 2.449 5.232 1.00 73.20 C ATOM 1208 C VAL A 75 2.858 2.132 6.713 1.00 70.32 C ATOM 1209 O VAL A 75 3.474 1.212 7.260 1.00 45.33 O ATOM 1210 CB VAL A 75 1.867 1.865 4.433 1.00 72.44 C ATOM 1211 CG1 VAL A 75 1.867 2.379 3.001 1.00 14.01 C ATOM 1212 CG2 VAL A 75 1.907 0.346 4.454 1.00 22.11 C ATOM 0 H VAL A 75 4.523 0.978 4.936 1.00 74.43 H new ATOM 0 HA VAL A 75 3.082 3.532 5.109 1.00 73.20 H new ATOM 0 HB VAL A 75 0.944 2.195 4.910 1.00 72.44 H new ATOM 0 HG11 VAL A 75 1.021 1.953 2.461 1.00 14.01 H new ATOM 0 HG12 VAL A 75 1.785 3.466 3.005 1.00 14.01 H new ATOM 0 HG13 VAL A 75 2.795 2.087 2.510 1.00 14.01 H new ATOM 0 HG21 VAL A 75 1.064 -0.048 3.887 1.00 22.11 H new ATOM 0 HG22 VAL A 75 2.839 0.000 4.006 1.00 22.11 H new ATOM 0 HG23 VAL A 75 1.847 -0.005 5.484 1.00 22.11 H new ATOM 1222 N GLU A 76 1.994 2.914 7.350 1.00 43.11 N ATOM 1223 CA GLU A 76 1.627 2.705 8.744 1.00 72.12 C ATOM 1224 C GLU A 76 0.134 2.440 8.846 1.00 45.21 C ATOM 1225 O GLU A 76 -0.643 2.879 7.994 1.00 52.00 O ATOM 1226 CB GLU A 76 2.010 3.918 9.602 1.00 11.25 C ATOM 1227 CG GLU A 76 1.462 5.236 9.079 1.00 4.20 C ATOM 1228 CD GLU A 76 1.893 6.428 9.914 1.00 73.03 C ATOM 1229 OE1 GLU A 76 3.078 6.495 10.316 1.00 10.43 O ATOM 1230 OE2 GLU A 76 1.051 7.313 10.163 1.00 22.53 O ATOM 0 H GLU A 76 1.529 3.710 6.914 1.00 43.11 H new ATOM 0 HA GLU A 76 2.174 1.841 9.120 1.00 72.12 H new ATOM 0 HB2 GLU A 76 1.647 3.762 10.618 1.00 11.25 H new ATOM 0 HB3 GLU A 76 3.097 3.983 9.658 1.00 11.25 H new ATOM 0 HG2 GLU A 76 1.795 5.380 8.051 1.00 4.20 H new ATOM 0 HG3 GLU A 76 0.373 5.188 9.058 1.00 4.20 H new ATOM 1237 N VAL A 77 -0.264 1.721 9.882 1.00 54.23 N ATOM 1238 CA VAL A 77 -1.658 1.353 10.058 1.00 30.23 C ATOM 1239 C VAL A 77 -2.471 2.528 10.601 1.00 31.05 C ATOM 1240 O VAL A 77 -2.050 3.213 11.533 1.00 13.52 O ATOM 1241 CB VAL A 77 -1.798 0.121 10.986 1.00 34.14 C ATOM 1242 CG1 VAL A 77 -1.275 0.418 12.387 1.00 13.44 C ATOM 1243 CG2 VAL A 77 -3.240 -0.364 11.035 1.00 43.25 C ATOM 0 H VAL A 77 0.359 1.381 10.614 1.00 54.23 H new ATOM 0 HA VAL A 77 -2.055 1.087 9.078 1.00 30.23 H new ATOM 0 HB VAL A 77 -1.186 -0.678 10.567 1.00 34.14 H new ATOM 0 HG11 VAL A 77 -1.388 -0.467 13.013 1.00 13.44 H new ATOM 0 HG12 VAL A 77 -0.221 0.691 12.332 1.00 13.44 H new ATOM 0 HG13 VAL A 77 -1.841 1.243 12.820 1.00 13.44 H new ATOM 0 HG21 VAL A 77 -3.311 -1.230 11.693 1.00 43.25 H new ATOM 0 HG22 VAL A 77 -3.879 0.433 11.414 1.00 43.25 H new ATOM 0 HG23 VAL A 77 -3.564 -0.643 10.033 1.00 43.25 H new ATOM 1253 N LEU A 78 -3.622 2.772 9.989 1.00 53.34 N ATOM 1254 CA LEU A 78 -4.505 3.852 10.412 1.00 22.42 C ATOM 1255 C LEU A 78 -5.554 3.342 11.387 1.00 43.55 C ATOM 1256 O LEU A 78 -6.298 4.116 11.991 1.00 61.53 O ATOM 1257 CB LEU A 78 -5.194 4.467 9.197 1.00 34.33 C ATOM 1258 CG LEU A 78 -4.268 5.177 8.214 1.00 34.25 C ATOM 1259 CD1 LEU A 78 -5.038 5.587 6.973 1.00 24.22 C ATOM 1260 CD2 LEU A 78 -3.624 6.389 8.872 1.00 11.33 C ATOM 0 H LEU A 78 -3.968 2.234 9.194 1.00 53.34 H new ATOM 0 HA LEU A 78 -3.902 4.610 10.913 1.00 22.42 H new ATOM 0 HB2 LEU A 78 -5.727 3.679 8.665 1.00 34.33 H new ATOM 0 HB3 LEU A 78 -5.942 5.179 9.546 1.00 34.33 H new ATOM 0 HG LEU A 78 -3.476 4.489 7.918 1.00 34.25 H new ATOM 0 HD11 LEU A 78 -4.367 6.093 6.279 1.00 24.22 H new ATOM 0 HD12 LEU A 78 -5.455 4.701 6.494 1.00 24.22 H new ATOM 0 HD13 LEU A 78 -5.846 6.262 7.253 1.00 24.22 H new ATOM 0 HD21 LEU A 78 -2.966 6.884 8.158 1.00 11.33 H new ATOM 0 HD22 LEU A 78 -4.400 7.084 9.193 1.00 11.33 H new ATOM 0 HD23 LEU A 78 -3.044 6.068 9.737 1.00 11.33 H new