USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 442 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 11 THR OG1 : rot 27:sc= 0.119 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 171:sc= -0.548 USER MOD Single : A 17 ASN : amide:sc= -0.533 K(o=-0.53,f=-2.2!) USER MOD Single : A 24 ASN : amide:sc=-0.00718 X(o=-0.0072,f=-0.15) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -3.9! C(o=-3.9!,f=-11!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 145:sc= -0.453 (180deg=-1.41) USER MOD Single : A 39 LYS NZ :NH3+ -92:sc= 0 (180deg=-0.763) USER MOD Single : A 43 HIS : no HD1:sc= -0.155 X(o=-0.16,f=-0.46) USER MOD Single : A 44 LYS NZ :NH3+ -176:sc= 0.917 (180deg=0.864) USER MOD Single : A 45 THR OG1 : rot 70:sc= 0.711 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -59:sc= 0.908 USER MOD Single : A 51 THR OG1 : rot -107:sc= 0.302 USER MOD Single : A 57 LYS NZ :NH3+ -95:sc= -0.516! (180deg=-1.66!) USER MOD ----------------------------------------------------------------- ATOM 108 N THR A 11 2.944 2.518 1.715 1.00 0.00 N ATOM 109 CA THR A 11 3.313 2.149 0.354 1.00 0.00 C ATOM 110 C THR A 11 3.686 0.673 0.266 1.00 0.00 C ATOM 111 O THR A 11 3.096 -0.080 -0.509 1.00 0.00 O ATOM 112 CB THR A 11 4.494 2.996 -0.157 1.00 0.00 C ATOM 113 OG1 THR A 11 4.187 4.389 -0.034 1.00 0.00 O ATOM 114 CG2 THR A 11 4.808 2.667 -1.609 1.00 0.00 C ATOM 0 HA THR A 11 2.441 2.339 -0.272 1.00 0.00 H new ATOM 0 HB THR A 11 5.369 2.762 0.449 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.540 4.519 0.690 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.645 3.277 -1.948 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.070 1.612 -1.695 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.934 2.875 -2.226 1.00 0.00 H new ATOM 122 N ASP A 12 4.667 0.267 1.064 1.00 0.00 N ATOM 123 CA ASP A 12 5.116 -1.120 1.077 1.00 0.00 C ATOM 124 C ASP A 12 4.287 -1.951 2.051 1.00 0.00 C ATOM 125 O ASP A 12 3.878 -3.069 1.738 1.00 0.00 O ATOM 126 CB ASP A 12 6.597 -1.195 1.456 1.00 0.00 C ATOM 127 CG ASP A 12 6.959 -0.230 2.567 1.00 0.00 C ATOM 128 OD1 ASP A 12 7.168 0.966 2.271 1.00 0.00 O ATOM 129 OD2 ASP A 12 7.034 -0.670 3.733 1.00 0.00 O ATOM 0 H ASP A 12 5.166 0.878 1.710 1.00 0.00 H new ATOM 0 HA ASP A 12 4.983 -1.528 0.075 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.838 -2.211 1.768 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.205 -0.978 0.578 1.00 0.00 H new ATOM 134 N LYS A 13 4.043 -1.397 3.234 1.00 0.00 N ATOM 135 CA LYS A 13 3.262 -2.086 4.255 1.00 0.00 C ATOM 136 C LYS A 13 1.827 -2.306 3.786 1.00 0.00 C ATOM 137 O LYS A 13 1.268 -3.389 3.957 1.00 0.00 O ATOM 138 CB LYS A 13 3.267 -1.283 5.558 1.00 0.00 C ATOM 139 CG LYS A 13 4.473 -1.559 6.438 1.00 0.00 C ATOM 140 CD LYS A 13 4.188 -1.230 7.894 1.00 0.00 C ATOM 141 CE LYS A 13 5.453 -1.289 8.737 1.00 0.00 C ATOM 142 NZ LYS A 13 5.755 -2.676 9.187 1.00 0.00 N ATOM 0 H LYS A 13 4.375 -0.473 3.509 1.00 0.00 H new ATOM 0 HA LYS A 13 3.720 -3.059 4.433 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.237 -0.220 5.320 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.360 -1.510 6.118 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.756 -2.608 6.350 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.321 -0.969 6.090 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.749 -0.235 7.964 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.453 -1.931 8.289 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.293 -0.904 8.159 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.341 -0.641 9.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.624 -2.674 9.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.965 -3.035 9.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.888 -3.289 8.357 1.00 0.00 H new ATOM 156 N ALA A 14 1.238 -1.272 3.194 1.00 0.00 N ATOM 157 CA ALA A 14 -0.131 -1.355 2.698 1.00 0.00 C ATOM 158 C ALA A 14 -0.333 -2.607 1.852 1.00 0.00 C ATOM 159 O ALA A 14 -1.193 -3.437 2.149 1.00 0.00 O ATOM 160 CB ALA A 14 -0.476 -0.110 1.894 1.00 0.00 C ATOM 0 H ALA A 14 1.687 -0.368 3.046 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.800 -1.417 3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.501 -0.185 1.529 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.380 0.771 2.528 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.205 -0.023 1.047 1.00 0.00 H new ATOM 166 N LEU A 15 0.463 -2.736 0.796 1.00 0.00 N ATOM 167 CA LEU A 15 0.370 -3.888 -0.095 1.00 0.00 C ATOM 168 C LEU A 15 0.719 -5.177 0.643 1.00 0.00 C ATOM 169 O LEU A 15 -0.004 -6.169 0.555 1.00 0.00 O ATOM 170 CB LEU A 15 1.302 -3.706 -1.294 1.00 0.00 C ATOM 171 CG LEU A 15 0.714 -2.963 -2.495 1.00 0.00 C ATOM 172 CD1 LEU A 15 0.506 -1.494 -2.164 1.00 0.00 C ATOM 173 CD2 LEU A 15 1.615 -3.117 -3.711 1.00 0.00 C ATOM 0 H LEU A 15 1.179 -2.058 0.536 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.658 -3.961 -0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.190 -3.170 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.630 -4.691 -1.627 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.256 -3.401 -2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.087 -0.982 -3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.181 -1.404 -1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.462 -1.041 -1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.181 -2.582 -4.556 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.600 -2.706 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.711 -4.174 -3.961 1.00 0.00 H new ATOM 185 N TYR A 16 1.829 -5.153 1.372 1.00 0.00 N ATOM 186 CA TYR A 16 2.274 -6.320 2.125 1.00 0.00 C ATOM 187 C TYR A 16 1.084 -7.088 2.692 1.00 0.00 C ATOM 188 O TYR A 16 1.046 -8.317 2.645 1.00 0.00 O ATOM 189 CB TYR A 16 3.208 -5.895 3.260 1.00 0.00 C ATOM 190 CG TYR A 16 4.159 -6.984 3.701 1.00 0.00 C ATOM 191 CD1 TYR A 16 4.935 -7.672 2.777 1.00 0.00 C ATOM 192 CD2 TYR A 16 4.281 -7.325 5.043 1.00 0.00 C ATOM 193 CE1 TYR A 16 5.805 -8.668 3.176 1.00 0.00 C ATOM 194 CE2 TYR A 16 5.149 -8.319 5.450 1.00 0.00 C ATOM 195 CZ TYR A 16 5.909 -8.988 4.513 1.00 0.00 C ATOM 196 OH TYR A 16 6.774 -9.979 4.915 1.00 0.00 O ATOM 0 H TYR A 16 2.437 -4.339 1.458 1.00 0.00 H new ATOM 0 HA TYR A 16 2.816 -6.976 1.443 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.785 -5.028 2.939 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.608 -5.580 4.114 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.857 -7.424 1.729 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.687 -6.804 5.779 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.401 -9.193 2.444 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.232 -8.571 6.497 1.00 0.00 H new ATOM 0 HH TYR A 16 6.835 -9.983 5.893 1.00 0.00 H new ATOM 206 N ASN A 17 0.114 -6.354 3.226 1.00 0.00 N ATOM 207 CA ASN A 17 -1.079 -6.965 3.802 1.00 0.00 C ATOM 208 C ASN A 17 -1.877 -7.711 2.736 1.00 0.00 C ATOM 209 O ASN A 17 -2.179 -8.894 2.888 1.00 0.00 O ATOM 210 CB ASN A 17 -1.957 -5.899 4.459 1.00 0.00 C ATOM 211 CG ASN A 17 -3.363 -6.396 4.733 1.00 0.00 C ATOM 212 OD1 ASN A 17 -3.592 -7.597 4.876 1.00 0.00 O ATOM 213 ND2 ASN A 17 -4.314 -5.471 4.807 1.00 0.00 N ATOM 0 H ASN A 17 0.130 -5.335 3.272 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.760 -7.681 4.560 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.498 -5.581 5.395 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.004 -5.022 3.813 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.279 -5.745 4.989 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.079 -4.486 4.682 1.00 0.00 H new ATOM 220 N ARG A 18 -2.213 -7.010 1.658 1.00 0.00 N ATOM 221 CA ARG A 18 -2.976 -7.605 0.568 1.00 0.00 C ATOM 222 C ARG A 18 -2.271 -8.843 0.023 1.00 0.00 C ATOM 223 O ARG A 18 -2.914 -9.832 -0.332 1.00 0.00 O ATOM 224 CB ARG A 18 -3.180 -6.586 -0.555 1.00 0.00 C ATOM 225 CG ARG A 18 -4.133 -5.460 -0.190 1.00 0.00 C ATOM 226 CD ARG A 18 -4.702 -4.787 -1.429 1.00 0.00 C ATOM 227 NE ARG A 18 -5.895 -5.469 -1.924 1.00 0.00 N ATOM 228 CZ ARG A 18 -7.084 -5.390 -1.336 1.00 0.00 C ATOM 229 NH1 ARG A 18 -7.237 -4.661 -0.239 1.00 0.00 N ATOM 230 NH2 ARG A 18 -8.122 -6.040 -1.846 1.00 0.00 N ATOM 0 H ARG A 18 -1.969 -6.030 1.516 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.948 -7.904 0.960 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.214 -6.160 -0.827 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.561 -7.101 -1.437 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.948 -5.854 0.418 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.610 -4.722 0.418 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.947 -3.750 -1.198 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.944 -4.769 -2.212 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.811 -6.037 -2.767 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.441 -4.159 0.155 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.151 -4.602 0.211 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.008 -6.601 -2.690 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.034 -5.979 -1.394 1.00 0.00 H new ATOM 244 N LEU A 19 -0.945 -8.783 -0.039 1.00 0.00 N ATOM 245 CA LEU A 19 -0.151 -9.900 -0.541 1.00 0.00 C ATOM 246 C LEU A 19 -0.249 -11.101 0.394 1.00 0.00 C ATOM 247 O LEU A 19 -0.558 -12.212 -0.035 1.00 0.00 O ATOM 248 CB LEU A 19 1.311 -9.481 -0.700 1.00 0.00 C ATOM 249 CG LEU A 19 1.644 -8.671 -1.954 1.00 0.00 C ATOM 250 CD1 LEU A 19 2.812 -7.734 -1.690 1.00 0.00 C ATOM 251 CD2 LEU A 19 1.956 -9.598 -3.120 1.00 0.00 C ATOM 0 H LEU A 19 -0.397 -7.973 0.252 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.548 -10.188 -1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.597 -8.895 0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.928 -10.379 -0.697 1.00 0.00 H new ATOM 0 HG LEU A 19 0.774 -8.069 -2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.034 -7.166 -2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.553 -7.047 -0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.688 -8.316 -1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.191 -9.005 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.810 -10.226 -2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.091 -10.228 -3.325 1.00 0.00 H new ATOM 263 N VAL A 20 0.016 -10.869 1.676 1.00 0.00 N ATOM 264 CA VAL A 20 -0.045 -11.931 2.674 1.00 0.00 C ATOM 265 C VAL A 20 -1.234 -11.738 3.609 1.00 0.00 C ATOM 266 O VAL A 20 -1.088 -11.334 4.763 1.00 0.00 O ATOM 267 CB VAL A 20 1.247 -11.991 3.509 1.00 0.00 C ATOM 268 CG1 VAL A 20 1.205 -13.166 4.474 1.00 0.00 C ATOM 269 CG2 VAL A 20 2.464 -12.079 2.601 1.00 0.00 C ATOM 0 H VAL A 20 0.275 -9.955 2.048 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.162 -12.869 2.132 1.00 0.00 H new ATOM 0 HB VAL A 20 1.324 -11.074 4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.126 -13.192 5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.354 -13.054 5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.104 -14.095 3.912 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.368 -12.121 3.208 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.397 -12.978 1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.500 -11.202 1.955 1.00 0.00 H new ATOM 279 N PRO A 21 -2.440 -12.035 3.102 1.00 0.00 N ATOM 280 CA PRO A 21 -3.678 -11.904 3.876 1.00 0.00 C ATOM 281 C PRO A 21 -3.780 -12.943 4.987 1.00 0.00 C ATOM 282 O PRO A 21 -3.090 -13.964 4.962 1.00 0.00 O ATOM 283 CB PRO A 21 -4.774 -12.128 2.832 1.00 0.00 C ATOM 284 CG PRO A 21 -4.127 -12.954 1.775 1.00 0.00 C ATOM 285 CD PRO A 21 -2.687 -12.523 1.735 1.00 0.00 C ATOM 0 HA PRO A 21 -3.742 -10.941 4.382 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.634 -12.640 3.264 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.136 -11.182 2.429 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.210 -14.016 2.005 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.608 -12.798 0.809 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.026 -13.351 1.478 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.522 -11.742 0.993 1.00 0.00 H new ATOM 293 N LEU A 22 -4.644 -12.679 5.961 1.00 0.00 N ATOM 294 CA LEU A 22 -4.837 -13.592 7.082 1.00 0.00 C ATOM 295 C LEU A 22 -6.124 -14.394 6.916 1.00 0.00 C ATOM 296 O LEU A 22 -7.212 -13.913 7.234 1.00 0.00 O ATOM 297 CB LEU A 22 -4.873 -12.815 8.399 1.00 0.00 C ATOM 298 CG LEU A 22 -4.583 -13.623 9.664 1.00 0.00 C ATOM 299 CD1 LEU A 22 -3.439 -14.597 9.424 1.00 0.00 C ATOM 300 CD2 LEU A 22 -4.261 -12.696 10.827 1.00 0.00 C ATOM 0 H LEU A 22 -5.222 -11.840 5.997 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.997 -14.287 7.101 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.150 -12.002 8.338 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.858 -12.359 8.501 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.474 -14.196 9.919 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.246 -15.164 10.335 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.707 -15.283 8.620 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.542 -14.044 9.145 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.057 -13.289 11.719 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.385 -12.096 10.582 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.110 -12.039 11.014 1.00 0.00 H new ATOM 312 N VAL A 23 -5.992 -15.619 6.417 1.00 0.00 N ATOM 313 CA VAL A 23 -7.144 -16.489 6.212 1.00 0.00 C ATOM 314 C VAL A 23 -7.212 -17.573 7.282 1.00 0.00 C ATOM 315 O VAL A 23 -8.240 -17.754 7.932 1.00 0.00 O ATOM 316 CB VAL A 23 -7.105 -17.154 4.824 1.00 0.00 C ATOM 317 CG1 VAL A 23 -7.192 -16.105 3.726 1.00 0.00 C ATOM 318 CG2 VAL A 23 -5.845 -17.994 4.672 1.00 0.00 C ATOM 0 H VAL A 23 -5.099 -16.031 6.147 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.032 -15.860 6.280 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.968 -17.814 4.732 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.163 -16.594 2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.125 -15.550 3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.350 -15.418 3.812 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.833 -18.457 3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.967 -17.357 4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.831 -18.770 5.437 1.00 0.00 H new ATOM 328 N ASN A 24 -6.108 -18.292 7.458 1.00 0.00 N ATOM 329 CA ASN A 24 -6.041 -19.359 8.450 1.00 0.00 C ATOM 330 C ASN A 24 -5.343 -18.880 9.719 1.00 0.00 C ATOM 331 O ASN A 24 -4.550 -19.606 10.316 1.00 0.00 O ATOM 332 CB ASN A 24 -5.304 -20.571 7.876 1.00 0.00 C ATOM 333 CG ASN A 24 -6.126 -21.308 6.836 1.00 0.00 C ATOM 334 OD1 ASN A 24 -5.762 -21.355 5.661 1.00 0.00 O ATOM 335 ND2 ASN A 24 -7.241 -21.887 7.265 1.00 0.00 N ATOM 0 H ASN A 24 -5.248 -18.155 6.927 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.060 -19.648 8.705 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.366 -20.244 7.428 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.049 -21.255 8.686 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.835 -22.397 6.611 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.504 -21.822 8.248 1.00 0.00 H new ATOM 342 N GLY A 25 -5.645 -17.651 10.126 1.00 0.00 N ATOM 343 CA GLY A 25 -5.039 -17.095 11.322 1.00 0.00 C ATOM 344 C GLY A 25 -3.525 -17.093 11.257 1.00 0.00 C ATOM 345 O GLY A 25 -2.853 -16.924 12.275 1.00 0.00 O ATOM 0 H GLY A 25 -6.299 -17.030 9.649 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.395 -16.075 11.465 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.362 -17.670 12.190 1.00 0.00 H new ATOM 349 N VAL A 26 -2.985 -17.282 10.057 1.00 0.00 N ATOM 350 CA VAL A 26 -1.540 -17.301 9.863 1.00 0.00 C ATOM 351 C VAL A 26 -1.135 -16.449 8.665 1.00 0.00 C ATOM 352 O VAL A 26 -1.755 -16.518 7.604 1.00 0.00 O ATOM 353 CB VAL A 26 -1.021 -18.736 9.657 1.00 0.00 C ATOM 354 CG1 VAL A 26 0.493 -18.741 9.513 1.00 0.00 C ATOM 355 CG2 VAL A 26 -1.458 -19.631 10.808 1.00 0.00 C ATOM 0 H VAL A 26 -3.527 -17.424 9.205 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.094 -16.887 10.767 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.451 -19.130 8.736 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.841 -19.764 9.368 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.779 -18.135 8.653 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.946 -18.328 10.414 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.083 -20.641 10.646 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.058 -19.241 11.744 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.547 -19.652 10.859 1.00 0.00 H new ATOM 365 N ARG A 27 -0.091 -15.646 8.843 1.00 0.00 N ATOM 366 CA ARG A 27 0.397 -14.780 7.777 1.00 0.00 C ATOM 367 C ARG A 27 1.486 -15.476 6.967 1.00 0.00 C ATOM 368 O ARG A 27 2.418 -14.835 6.483 1.00 0.00 O ATOM 369 CB ARG A 27 0.937 -13.473 8.360 1.00 0.00 C ATOM 370 CG ARG A 27 -0.151 -12.512 8.811 1.00 0.00 C ATOM 371 CD ARG A 27 -0.571 -11.579 7.686 1.00 0.00 C ATOM 372 NE ARG A 27 -1.810 -10.871 7.996 1.00 0.00 N ATOM 373 CZ ARG A 27 -2.149 -9.708 7.450 1.00 0.00 C ATOM 374 NH1 ARG A 27 -1.345 -9.126 6.571 1.00 0.00 N ATOM 375 NH2 ARG A 27 -3.293 -9.125 7.783 1.00 0.00 N ATOM 0 H ARG A 27 0.433 -15.577 9.715 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.438 -14.556 7.114 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.582 -13.702 9.208 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.558 -12.980 7.612 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.016 -13.077 9.159 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.208 -11.926 9.657 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.223 -10.856 7.499 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.701 -12.153 6.769 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.450 -11.292 8.669 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.464 -9.571 6.313 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.607 -8.233 6.153 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.914 -9.569 8.459 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.552 -8.232 7.363 1.00 0.00 H new ATOM 389 N GLU A 28 1.361 -16.792 6.824 1.00 0.00 N ATOM 390 CA GLU A 28 2.336 -17.574 6.074 1.00 0.00 C ATOM 391 C GLU A 28 2.115 -17.423 4.571 1.00 0.00 C ATOM 392 O GLU A 28 1.006 -17.618 4.073 1.00 0.00 O ATOM 393 CB GLU A 28 2.250 -19.051 6.467 1.00 0.00 C ATOM 394 CG GLU A 28 0.884 -19.668 6.219 1.00 0.00 C ATOM 395 CD GLU A 28 0.706 -20.996 6.929 1.00 0.00 C ATOM 396 OE1 GLU A 28 1.330 -21.987 6.496 1.00 0.00 O ATOM 397 OE2 GLU A 28 -0.056 -21.044 7.917 1.00 0.00 O ATOM 0 H GLU A 28 0.595 -17.338 7.218 1.00 0.00 H new ATOM 0 HA GLU A 28 3.330 -17.198 6.318 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.999 -19.611 5.908 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.499 -19.152 7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.111 -18.976 6.552 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.743 -19.811 5.148 1.00 0.00 H new ATOM 404 N PHE A 29 3.178 -17.073 3.855 1.00 0.00 N ATOM 405 CA PHE A 29 3.101 -16.894 2.410 1.00 0.00 C ATOM 406 C PHE A 29 2.446 -18.101 1.746 1.00 0.00 C ATOM 407 O PHE A 29 2.206 -19.123 2.390 1.00 0.00 O ATOM 408 CB PHE A 29 4.498 -16.672 1.827 1.00 0.00 C ATOM 409 CG PHE A 29 5.228 -15.513 2.442 1.00 0.00 C ATOM 410 CD1 PHE A 29 5.956 -15.676 3.610 1.00 0.00 C ATOM 411 CD2 PHE A 29 5.186 -14.260 1.853 1.00 0.00 C ATOM 412 CE1 PHE A 29 6.628 -14.611 4.178 1.00 0.00 C ATOM 413 CE2 PHE A 29 5.857 -13.190 2.417 1.00 0.00 C ATOM 414 CZ PHE A 29 6.579 -13.366 3.580 1.00 0.00 C ATOM 0 H PHE A 29 4.103 -16.908 4.252 1.00 0.00 H new ATOM 0 HA PHE A 29 2.488 -16.015 2.210 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.089 -17.578 1.966 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.413 -16.508 0.753 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.998 -16.647 4.082 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.623 -14.117 0.943 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.191 -14.751 5.089 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.816 -12.218 1.948 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.105 -12.532 4.022 1.00 0.00 H new ATOM 424 N SER A 30 2.159 -17.976 0.454 1.00 0.00 N ATOM 425 CA SER A 30 1.527 -19.054 -0.297 1.00 0.00 C ATOM 426 C SER A 30 2.530 -19.725 -1.231 1.00 0.00 C ATOM 427 O SER A 30 3.601 -19.183 -1.500 1.00 0.00 O ATOM 428 CB SER A 30 0.342 -18.518 -1.102 1.00 0.00 C ATOM 429 OG SER A 30 -0.520 -19.569 -1.503 1.00 0.00 O ATOM 0 H SER A 30 2.354 -17.138 -0.094 1.00 0.00 H new ATOM 0 HA SER A 30 1.166 -19.796 0.415 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.213 -17.797 -0.502 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.706 -17.987 -1.981 1.00 0.00 H new ATOM 0 HG SER A 30 -1.270 -19.200 -2.014 1.00 0.00 H new ATOM 435 N GLU A 31 2.172 -20.908 -1.722 1.00 0.00 N ATOM 436 CA GLU A 31 3.041 -21.653 -2.625 1.00 0.00 C ATOM 437 C GLU A 31 3.534 -20.764 -3.764 1.00 0.00 C ATOM 438 O GLU A 31 4.661 -20.911 -4.237 1.00 0.00 O ATOM 439 CB GLU A 31 2.301 -22.866 -3.195 1.00 0.00 C ATOM 440 CG GLU A 31 1.033 -22.506 -3.949 1.00 0.00 C ATOM 441 CD GLU A 31 0.476 -23.672 -4.743 1.00 0.00 C ATOM 442 OE1 GLU A 31 0.165 -24.714 -4.129 1.00 0.00 O ATOM 443 OE2 GLU A 31 0.350 -23.542 -5.979 1.00 0.00 O ATOM 0 H GLU A 31 1.288 -21.370 -1.510 1.00 0.00 H new ATOM 0 HA GLU A 31 3.904 -21.997 -2.055 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.970 -23.408 -3.864 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.049 -23.543 -2.379 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.280 -22.160 -3.241 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.240 -21.676 -4.625 1.00 0.00 H new ATOM 450 N ILE A 32 2.681 -19.842 -4.198 1.00 0.00 N ATOM 451 CA ILE A 32 3.029 -18.929 -5.280 1.00 0.00 C ATOM 452 C ILE A 32 4.053 -17.897 -4.820 1.00 0.00 C ATOM 453 O ILE A 32 5.097 -17.723 -5.447 1.00 0.00 O ATOM 454 CB ILE A 32 1.787 -18.198 -5.821 1.00 0.00 C ATOM 455 CG1 ILE A 32 0.821 -19.195 -6.464 1.00 0.00 C ATOM 456 CG2 ILE A 32 2.196 -17.127 -6.821 1.00 0.00 C ATOM 457 CD1 ILE A 32 -0.582 -18.654 -6.634 1.00 0.00 C ATOM 0 H ILE A 32 1.744 -19.708 -3.817 1.00 0.00 H new ATOM 0 HA ILE A 32 3.460 -19.534 -6.078 1.00 0.00 H new ATOM 0 HB ILE A 32 1.277 -17.713 -4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.210 -19.487 -7.440 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.782 -20.097 -5.853 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.307 -16.619 -7.194 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.849 -16.404 -6.333 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.726 -17.590 -7.653 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.212 -19.415 -7.096 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.990 -18.388 -5.659 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.556 -17.769 -7.270 1.00 0.00 H new ATOM 469 N GLN A 33 3.747 -17.218 -3.719 1.00 0.00 N ATOM 470 CA GLN A 33 4.641 -16.203 -3.175 1.00 0.00 C ATOM 471 C GLN A 33 6.037 -16.774 -2.948 1.00 0.00 C ATOM 472 O GLN A 33 7.031 -16.215 -3.414 1.00 0.00 O ATOM 473 CB GLN A 33 4.083 -15.652 -1.861 1.00 0.00 C ATOM 474 CG GLN A 33 2.760 -14.920 -2.022 1.00 0.00 C ATOM 475 CD GLN A 33 2.275 -14.301 -0.727 1.00 0.00 C ATOM 476 OE1 GLN A 33 2.496 -14.844 0.356 1.00 0.00 O ATOM 477 NE2 GLN A 33 1.609 -13.157 -0.830 1.00 0.00 N ATOM 0 H GLN A 33 2.887 -17.352 -3.187 1.00 0.00 H new ATOM 0 HA GLN A 33 4.713 -15.392 -3.899 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.950 -16.475 -1.159 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.814 -14.973 -1.422 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.870 -14.139 -2.775 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.007 -15.616 -2.392 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.448 -12.741 -1.747 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.258 -12.694 0.008 1.00 0.00 H new ATOM 486 N LEU A 34 6.105 -17.889 -2.229 1.00 0.00 N ATOM 487 CA LEU A 34 7.380 -18.536 -1.939 1.00 0.00 C ATOM 488 C LEU A 34 8.221 -18.672 -3.204 1.00 0.00 C ATOM 489 O LEU A 34 9.265 -18.033 -3.340 1.00 0.00 O ATOM 490 CB LEU A 34 7.146 -19.915 -1.319 1.00 0.00 C ATOM 491 CG LEU A 34 6.204 -19.957 -0.115 1.00 0.00 C ATOM 492 CD1 LEU A 34 5.476 -21.291 -0.054 1.00 0.00 C ATOM 493 CD2 LEU A 34 6.974 -19.708 1.174 1.00 0.00 C ATOM 0 H LEU A 34 5.292 -18.364 -1.836 1.00 0.00 H new ATOM 0 HA LEU A 34 7.922 -17.912 -1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.748 -20.575 -2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.110 -20.323 -1.016 1.00 0.00 H new ATOM 0 HG LEU A 34 5.463 -19.166 -0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.810 -21.303 0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.893 -21.429 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.203 -22.098 0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.288 -19.742 2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.738 -20.476 1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.449 -18.728 1.131 1.00 0.00 H new ATOM 505 N SER A 35 7.759 -19.507 -4.130 1.00 0.00 N ATOM 506 CA SER A 35 8.470 -19.728 -5.384 1.00 0.00 C ATOM 507 C SER A 35 9.079 -18.428 -5.899 1.00 0.00 C ATOM 508 O SER A 35 10.159 -18.427 -6.489 1.00 0.00 O ATOM 509 CB SER A 35 7.524 -20.314 -6.434 1.00 0.00 C ATOM 510 OG SER A 35 8.240 -21.047 -7.413 1.00 0.00 O ATOM 0 H SER A 35 6.895 -20.041 -4.035 1.00 0.00 H new ATOM 0 HA SER A 35 9.277 -20.437 -5.197 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.795 -20.964 -5.949 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.965 -19.510 -6.913 1.00 0.00 H new ATOM 0 HG SER A 35 7.613 -21.412 -8.072 1.00 0.00 H new ATOM 516 N ARG A 36 8.377 -17.322 -5.673 1.00 0.00 N ATOM 517 CA ARG A 36 8.846 -16.015 -6.115 1.00 0.00 C ATOM 518 C ARG A 36 9.930 -15.482 -5.182 1.00 0.00 C ATOM 519 O ARG A 36 10.994 -15.054 -5.630 1.00 0.00 O ATOM 520 CB ARG A 36 7.681 -15.025 -6.179 1.00 0.00 C ATOM 521 CG ARG A 36 6.593 -15.428 -7.160 1.00 0.00 C ATOM 522 CD ARG A 36 5.532 -14.346 -7.290 1.00 0.00 C ATOM 523 NE ARG A 36 4.686 -14.547 -8.464 1.00 0.00 N ATOM 524 CZ ARG A 36 3.679 -13.745 -8.790 1.00 0.00 C ATOM 525 NH1 ARG A 36 3.394 -12.693 -8.035 1.00 0.00 N ATOM 526 NH2 ARG A 36 2.955 -13.994 -9.874 1.00 0.00 N ATOM 0 H ARG A 36 7.481 -17.306 -5.186 1.00 0.00 H new ATOM 0 HA ARG A 36 9.272 -16.128 -7.112 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.244 -14.926 -5.185 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.064 -14.043 -6.458 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.036 -15.624 -8.136 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.129 -16.357 -6.829 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.912 -14.337 -6.394 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.015 -13.371 -7.354 1.00 0.00 H new ATOM 0 HE ARG A 36 4.879 -15.347 -9.066 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.949 -12.498 -7.202 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.620 -12.079 -8.288 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.172 -14.802 -10.458 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.182 -13.377 -10.124 1.00 0.00 H new ATOM 540 N LEU A 37 9.652 -15.511 -3.884 1.00 0.00 N ATOM 541 CA LEU A 37 10.602 -15.031 -2.887 1.00 0.00 C ATOM 542 C LEU A 37 11.972 -15.671 -3.088 1.00 0.00 C ATOM 543 O LEU A 37 13.004 -15.033 -2.881 1.00 0.00 O ATOM 544 CB LEU A 37 10.088 -15.330 -1.477 1.00 0.00 C ATOM 545 CG LEU A 37 8.937 -14.454 -0.983 1.00 0.00 C ATOM 546 CD1 LEU A 37 8.227 -15.117 0.188 1.00 0.00 C ATOM 547 CD2 LEU A 37 9.447 -13.076 -0.589 1.00 0.00 C ATOM 0 H LEU A 37 8.776 -15.862 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 37 10.704 -13.953 -3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.767 -16.371 -1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.920 -15.230 -0.780 1.00 0.00 H new ATOM 0 HG LEU A 37 8.221 -14.335 -1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.411 -14.479 0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.828 -16.081 -0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.933 -15.266 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.614 -12.466 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.184 -13.175 0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.909 -12.598 -1.453 1.00 0.00 H new ATOM 559 N LYS A 38 11.974 -16.936 -3.494 1.00 0.00 N ATOM 560 CA LYS A 38 13.216 -17.663 -3.727 1.00 0.00 C ATOM 561 C LYS A 38 13.999 -17.047 -4.882 1.00 0.00 C ATOM 562 O LYS A 38 15.226 -17.134 -4.930 1.00 0.00 O ATOM 563 CB LYS A 38 12.922 -19.135 -4.025 1.00 0.00 C ATOM 564 CG LYS A 38 12.818 -19.999 -2.779 1.00 0.00 C ATOM 565 CD LYS A 38 12.850 -21.479 -3.123 1.00 0.00 C ATOM 566 CE LYS A 38 11.576 -21.915 -3.830 1.00 0.00 C ATOM 567 NZ LYS A 38 11.667 -21.724 -5.304 1.00 0.00 N ATOM 0 H LYS A 38 11.129 -17.479 -3.669 1.00 0.00 H new ATOM 0 HA LYS A 38 13.822 -17.595 -2.823 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.989 -19.205 -4.584 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.709 -19.531 -4.667 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.640 -19.764 -2.102 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.893 -19.767 -2.250 1.00 0.00 H new ATOM 0 HD2 LYS A 38 13.710 -21.687 -3.760 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.979 -22.063 -2.212 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.380 -22.965 -3.611 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.732 -21.345 -3.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.152 -22.488 -5.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.248 -20.808 -5.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.665 -21.742 -5.595 1.00 0.00 H new ATOM 581 N LYS A 39 13.282 -16.423 -5.811 1.00 0.00 N ATOM 582 CA LYS A 39 13.909 -15.790 -6.965 1.00 0.00 C ATOM 583 C LYS A 39 14.752 -14.593 -6.537 1.00 0.00 C ATOM 584 O LYS A 39 15.908 -14.459 -6.940 1.00 0.00 O ATOM 585 CB LYS A 39 12.843 -15.344 -7.969 1.00 0.00 C ATOM 586 CG LYS A 39 11.804 -16.410 -8.266 1.00 0.00 C ATOM 587 CD LYS A 39 12.423 -17.618 -8.949 1.00 0.00 C ATOM 588 CE LYS A 39 12.416 -17.467 -10.463 1.00 0.00 C ATOM 589 NZ LYS A 39 13.642 -16.782 -10.958 1.00 0.00 N ATOM 0 H LYS A 39 12.265 -16.342 -5.787 1.00 0.00 H new ATOM 0 HA LYS A 39 14.563 -16.522 -7.439 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.341 -14.457 -7.583 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.331 -15.055 -8.900 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.326 -16.722 -7.337 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.024 -15.992 -8.902 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.447 -17.749 -8.600 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.873 -18.517 -8.669 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.338 -18.451 -10.926 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.536 -16.901 -10.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.468 -15.758 -11.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.429 -16.962 -10.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.887 -17.146 -11.901 1.00 0.00 H new ATOM 603 N LEU A 40 14.168 -13.726 -5.717 1.00 0.00 N ATOM 604 CA LEU A 40 14.866 -12.540 -5.232 1.00 0.00 C ATOM 605 C LEU A 40 16.067 -12.928 -4.376 1.00 0.00 C ATOM 606 O LEU A 40 17.085 -12.236 -4.366 1.00 0.00 O ATOM 607 CB LEU A 40 13.913 -11.657 -4.425 1.00 0.00 C ATOM 608 CG LEU A 40 12.824 -10.940 -5.223 1.00 0.00 C ATOM 609 CD1 LEU A 40 11.821 -10.284 -4.287 1.00 0.00 C ATOM 610 CD2 LEU A 40 13.439 -9.908 -6.157 1.00 0.00 C ATOM 0 H LEU A 40 13.212 -13.822 -5.374 1.00 0.00 H new ATOM 0 HA LEU A 40 15.225 -11.981 -6.096 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.432 -12.275 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.503 -10.907 -3.898 1.00 0.00 H new ATOM 0 HG LEU A 40 12.297 -11.679 -5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.053 -9.778 -4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.357 -11.045 -3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.333 -9.557 -3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.649 -9.408 -6.717 1.00 0.00 H new ATOM 0 HD22 LEU A 40 13.992 -9.172 -5.573 1.00 0.00 H new ATOM 0 HD23 LEU A 40 14.117 -10.404 -6.851 1.00 0.00 H new ATOM 622 N GLY A 41 15.942 -14.041 -3.659 1.00 0.00 N ATOM 623 CA GLY A 41 17.026 -14.503 -2.811 1.00 0.00 C ATOM 624 C GLY A 41 16.711 -14.354 -1.336 1.00 0.00 C ATOM 625 O GLY A 41 17.617 -14.281 -0.505 1.00 0.00 O ATOM 0 H GLY A 41 15.110 -14.631 -3.650 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.235 -15.550 -3.031 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.931 -13.942 -3.045 1.00 0.00 H new ATOM 629 N ILE A 42 15.424 -14.307 -1.009 1.00 0.00 N ATOM 630 CA ILE A 42 14.993 -14.165 0.376 1.00 0.00 C ATOM 631 C ILE A 42 14.729 -15.526 1.012 1.00 0.00 C ATOM 632 O ILE A 42 13.605 -16.029 0.983 1.00 0.00 O ATOM 633 CB ILE A 42 13.720 -13.305 0.485 1.00 0.00 C ATOM 634 CG1 ILE A 42 13.938 -11.947 -0.186 1.00 0.00 C ATOM 635 CG2 ILE A 42 13.326 -13.124 1.943 1.00 0.00 C ATOM 636 CD1 ILE A 42 12.675 -11.123 -0.307 1.00 0.00 C ATOM 0 H ILE A 42 14.662 -14.365 -1.684 1.00 0.00 H new ATOM 0 HA ILE A 42 15.804 -13.668 0.909 1.00 0.00 H new ATOM 0 HB ILE A 42 12.907 -13.818 -0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 42 14.677 -11.383 0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 42 14.356 -12.105 -1.180 1.00 0.00 H new ATOM 0 HG21 ILE A 42 12.425 -12.514 2.003 1.00 0.00 H new ATOM 0 HG22 ILE A 42 13.135 -14.099 2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.135 -12.629 2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 42 12.905 -10.174 -0.792 1.00 0.00 H new ATOM 0 HD12 ILE A 42 11.942 -11.667 -0.903 1.00 0.00 H new ATOM 0 HD13 ILE A 42 12.267 -10.934 0.686 1.00 0.00 H new ATOM 648 N HIS A 43 15.771 -16.116 1.588 1.00 0.00 N ATOM 649 CA HIS A 43 15.651 -17.419 2.234 1.00 0.00 C ATOM 650 C HIS A 43 14.893 -17.304 3.553 1.00 0.00 C ATOM 651 O HIS A 43 15.463 -17.494 4.627 1.00 0.00 O ATOM 652 CB HIS A 43 17.036 -18.020 2.478 1.00 0.00 C ATOM 653 CG HIS A 43 17.571 -18.787 1.309 1.00 0.00 C ATOM 654 ND1 HIS A 43 16.783 -19.587 0.509 1.00 0.00 N ATOM 655 CD2 HIS A 43 18.824 -18.871 0.804 1.00 0.00 C ATOM 656 CE1 HIS A 43 17.528 -20.132 -0.436 1.00 0.00 C ATOM 657 NE2 HIS A 43 18.771 -19.713 -0.279 1.00 0.00 N ATOM 0 H HIS A 43 16.708 -15.713 1.621 1.00 0.00 H new ATOM 0 HA HIS A 43 15.090 -18.076 1.570 1.00 0.00 H new ATOM 0 HB2 HIS A 43 17.732 -17.219 2.725 1.00 0.00 H new ATOM 0 HB3 HIS A 43 16.989 -18.680 3.344 1.00 0.00 H new ATOM 0 HD2 HIS A 43 19.702 -18.369 1.183 1.00 0.00 H new ATOM 0 HE1 HIS A 43 17.180 -20.805 -1.206 1.00 0.00 H new ATOM 0 HE2 HIS A 43 19.563 -19.973 -0.867 1.00 0.00 H new ATOM 666 N LYS A 44 13.605 -16.990 3.464 1.00 0.00 N ATOM 667 CA LYS A 44 12.768 -16.849 4.649 1.00 0.00 C ATOM 668 C LYS A 44 11.422 -17.538 4.450 1.00 0.00 C ATOM 669 O LYS A 44 11.067 -17.921 3.334 1.00 0.00 O ATOM 670 CB LYS A 44 12.552 -15.369 4.974 1.00 0.00 C ATOM 671 CG LYS A 44 13.767 -14.698 5.592 1.00 0.00 C ATOM 672 CD LYS A 44 13.681 -13.185 5.488 1.00 0.00 C ATOM 673 CE LYS A 44 14.982 -12.522 5.915 1.00 0.00 C ATOM 674 NZ LYS A 44 14.776 -11.102 6.314 1.00 0.00 N ATOM 0 H LYS A 44 13.118 -16.828 2.583 1.00 0.00 H new ATOM 0 HA LYS A 44 13.281 -17.327 5.484 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.281 -14.841 4.060 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.708 -15.275 5.658 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.850 -14.988 6.640 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.670 -15.047 5.092 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.447 -12.903 4.462 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.864 -12.822 6.112 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.414 -13.075 6.749 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.699 -12.569 5.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.695 -10.666 6.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.324 -10.584 5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.165 -11.063 7.155 1.00 0.00 H new ATOM 688 N THR A 45 10.674 -17.693 5.538 1.00 0.00 N ATOM 689 CA THR A 45 9.367 -18.335 5.482 1.00 0.00 C ATOM 690 C THR A 45 8.318 -17.514 6.223 1.00 0.00 C ATOM 691 O THR A 45 7.177 -17.397 5.776 1.00 0.00 O ATOM 692 CB THR A 45 9.411 -19.753 6.083 1.00 0.00 C ATOM 693 OG1 THR A 45 10.035 -19.719 7.372 1.00 0.00 O ATOM 694 CG2 THR A 45 10.171 -20.704 5.171 1.00 0.00 C ATOM 0 H THR A 45 10.952 -17.382 6.469 1.00 0.00 H new ATOM 0 HA THR A 45 9.094 -18.403 4.429 1.00 0.00 H new ATOM 0 HB THR A 45 8.387 -20.113 6.184 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.448 -19.259 8.008 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.189 -21.699 5.616 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.677 -20.750 4.200 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.192 -20.346 5.042 1.00 0.00 H new ATOM 702 N ASP A 46 8.712 -16.946 7.358 1.00 0.00 N ATOM 703 CA ASP A 46 7.806 -16.132 8.160 1.00 0.00 C ATOM 704 C ASP A 46 7.866 -14.669 7.734 1.00 0.00 C ATOM 705 O ASP A 46 8.925 -14.140 7.393 1.00 0.00 O ATOM 706 CB ASP A 46 8.152 -16.259 9.645 1.00 0.00 C ATOM 707 CG ASP A 46 8.215 -17.703 10.104 1.00 0.00 C ATOM 708 OD1 ASP A 46 9.171 -18.408 9.717 1.00 0.00 O ATOM 709 OD2 ASP A 46 7.308 -18.127 10.850 1.00 0.00 O ATOM 0 H ASP A 46 9.652 -17.034 7.743 1.00 0.00 H new ATOM 0 HA ASP A 46 6.791 -16.496 7.998 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.112 -15.779 9.834 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.407 -15.725 10.235 1.00 0.00 H new ATOM 714 N PRO A 47 6.705 -13.998 7.752 1.00 0.00 N ATOM 715 CA PRO A 47 6.600 -12.587 7.370 1.00 0.00 C ATOM 716 C PRO A 47 7.263 -11.661 8.384 1.00 0.00 C ATOM 717 O PRO A 47 7.615 -10.526 8.064 1.00 0.00 O ATOM 718 CB PRO A 47 5.089 -12.342 7.330 1.00 0.00 C ATOM 719 CG PRO A 47 4.516 -13.358 8.257 1.00 0.00 C ATOM 720 CD PRO A 47 5.405 -14.566 8.148 1.00 0.00 C ATOM 0 HA PRO A 47 7.104 -12.382 6.426 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.843 -11.330 7.651 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.695 -12.460 6.321 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.491 -12.983 9.280 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.490 -13.602 7.982 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.472 -15.102 9.095 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.033 -15.273 7.407 1.00 0.00 H new ATOM 728 N SER A 48 7.431 -12.153 9.607 1.00 0.00 N ATOM 729 CA SER A 48 8.050 -11.368 10.668 1.00 0.00 C ATOM 730 C SER A 48 9.542 -11.183 10.409 1.00 0.00 C ATOM 731 O SER A 48 10.106 -10.123 10.683 1.00 0.00 O ATOM 732 CB SER A 48 7.836 -12.045 12.023 1.00 0.00 C ATOM 733 OG SER A 48 8.477 -13.308 12.068 1.00 0.00 O ATOM 0 H SER A 48 7.147 -13.092 9.888 1.00 0.00 H new ATOM 0 HA SER A 48 7.578 -10.386 10.682 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.225 -11.408 12.817 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.769 -12.168 12.207 1.00 0.00 H new ATOM 0 HG SER A 48 8.327 -13.720 12.945 1.00 0.00 H new ATOM 739 N THR A 49 10.177 -12.223 9.877 1.00 0.00 N ATOM 740 CA THR A 49 11.603 -12.178 9.580 1.00 0.00 C ATOM 741 C THR A 49 11.900 -11.192 8.456 1.00 0.00 C ATOM 742 O THR A 49 12.976 -10.594 8.408 1.00 0.00 O ATOM 743 CB THR A 49 12.139 -13.567 9.185 1.00 0.00 C ATOM 744 OG1 THR A 49 11.383 -14.089 8.087 1.00 0.00 O ATOM 745 CG2 THR A 49 12.066 -14.529 10.361 1.00 0.00 C ATOM 0 H THR A 49 9.725 -13.107 9.643 1.00 0.00 H new ATOM 0 HA THR A 49 12.105 -11.849 10.490 1.00 0.00 H new ATOM 0 HB THR A 49 13.182 -13.459 8.888 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.440 -14.160 8.344 1.00 0.00 H new ATOM 0 HG21 THR A 49 12.450 -15.503 10.058 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.666 -14.143 11.185 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.030 -14.631 10.684 1.00 0.00 H new ATOM 753 N LEU A 50 10.940 -11.026 7.553 1.00 0.00 N ATOM 754 CA LEU A 50 11.098 -10.111 6.428 1.00 0.00 C ATOM 755 C LEU A 50 11.465 -8.711 6.911 1.00 0.00 C ATOM 756 O LEU A 50 11.007 -8.266 7.965 1.00 0.00 O ATOM 757 CB LEU A 50 9.811 -10.057 5.603 1.00 0.00 C ATOM 758 CG LEU A 50 9.685 -11.094 4.486 1.00 0.00 C ATOM 759 CD1 LEU A 50 10.585 -10.729 3.316 1.00 0.00 C ATOM 760 CD2 LEU A 50 10.022 -12.483 5.008 1.00 0.00 C ATOM 0 H LEU A 50 10.044 -11.513 7.578 1.00 0.00 H new ATOM 0 HA LEU A 50 11.908 -10.483 5.801 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.965 -10.176 6.279 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.728 -9.064 5.161 1.00 0.00 H new ATOM 0 HG LEU A 50 8.653 -11.100 4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.482 -11.478 2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.297 -9.753 2.926 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.622 -10.695 3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.927 -13.208 4.200 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.045 -12.492 5.385 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.336 -12.745 5.813 1.00 0.00 H new ATOM 772 N THR A 51 12.292 -8.020 6.134 1.00 0.00 N ATOM 773 CA THR A 51 12.720 -6.671 6.482 1.00 0.00 C ATOM 774 C THR A 51 12.091 -5.638 5.553 1.00 0.00 C ATOM 775 O THR A 51 11.498 -5.988 4.533 1.00 0.00 O ATOM 776 CB THR A 51 14.253 -6.534 6.421 1.00 0.00 C ATOM 777 OG1 THR A 51 14.696 -6.588 5.061 1.00 0.00 O ATOM 778 CG2 THR A 51 14.927 -7.636 7.224 1.00 0.00 C ATOM 0 H THR A 51 12.679 -8.372 5.259 1.00 0.00 H new ATOM 0 HA THR A 51 12.387 -6.488 7.504 1.00 0.00 H new ATOM 0 HB THR A 51 14.527 -5.572 6.854 1.00 0.00 H new ATOM 0 HG1 THR A 51 15.140 -7.446 4.895 1.00 0.00 H new ATOM 0 HG21 THR A 51 16.009 -7.519 7.166 1.00 0.00 H new ATOM 0 HG22 THR A 51 14.610 -7.573 8.265 1.00 0.00 H new ATOM 0 HG23 THR A 51 14.645 -8.607 6.817 1.00 0.00 H new ATOM 786 N GLU A 52 12.226 -4.365 5.912 1.00 0.00 N ATOM 787 CA GLU A 52 11.671 -3.282 5.109 1.00 0.00 C ATOM 788 C GLU A 52 12.116 -3.401 3.654 1.00 0.00 C ATOM 789 O GLU A 52 11.331 -3.170 2.735 1.00 0.00 O ATOM 790 CB GLU A 52 12.097 -1.927 5.676 1.00 0.00 C ATOM 791 CG GLU A 52 11.361 -1.540 6.948 1.00 0.00 C ATOM 792 CD GLU A 52 11.462 -0.058 7.252 1.00 0.00 C ATOM 793 OE1 GLU A 52 12.471 0.563 6.856 1.00 0.00 O ATOM 794 OE2 GLU A 52 10.531 0.482 7.886 1.00 0.00 O ATOM 0 H GLU A 52 12.715 -4.059 6.753 1.00 0.00 H new ATOM 0 HA GLU A 52 10.584 -3.357 5.145 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.168 -1.948 5.878 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.930 -1.158 4.922 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.311 -1.817 6.854 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.767 -2.107 7.785 1.00 0.00 H new ATOM 801 N GLU A 53 13.380 -3.760 3.455 1.00 0.00 N ATOM 802 CA GLU A 53 13.929 -3.907 2.113 1.00 0.00 C ATOM 803 C GLU A 53 13.212 -5.017 1.350 1.00 0.00 C ATOM 804 O GLU A 53 12.773 -4.822 0.217 1.00 0.00 O ATOM 805 CB GLU A 53 15.428 -4.207 2.181 1.00 0.00 C ATOM 806 CG GLU A 53 16.171 -3.892 0.894 1.00 0.00 C ATOM 807 CD GLU A 53 17.613 -3.490 1.136 1.00 0.00 C ATOM 808 OE1 GLU A 53 18.387 -4.330 1.640 1.00 0.00 O ATOM 809 OE2 GLU A 53 17.967 -2.335 0.820 1.00 0.00 O ATOM 0 H GLU A 53 14.043 -3.954 4.206 1.00 0.00 H new ATOM 0 HA GLU A 53 13.777 -2.967 1.582 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.869 -3.631 2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.568 -5.260 2.423 1.00 0.00 H new ATOM 0 HG2 GLU A 53 16.146 -4.765 0.241 1.00 0.00 H new ATOM 0 HG3 GLU A 53 15.656 -3.087 0.370 1.00 0.00 H new ATOM 816 N GLU A 54 13.098 -6.182 1.980 1.00 0.00 N ATOM 817 CA GLU A 54 12.436 -7.324 1.360 1.00 0.00 C ATOM 818 C GLU A 54 10.955 -7.035 1.131 1.00 0.00 C ATOM 819 O GLU A 54 10.380 -7.444 0.122 1.00 0.00 O ATOM 820 CB GLU A 54 12.594 -8.570 2.234 1.00 0.00 C ATOM 821 CG GLU A 54 14.023 -9.080 2.313 1.00 0.00 C ATOM 822 CD GLU A 54 15.047 -7.970 2.174 1.00 0.00 C ATOM 823 OE1 GLU A 54 15.128 -7.372 1.081 1.00 0.00 O ATOM 824 OE2 GLU A 54 15.767 -7.700 3.158 1.00 0.00 O ATOM 0 H GLU A 54 13.455 -6.360 2.919 1.00 0.00 H new ATOM 0 HA GLU A 54 12.908 -7.504 0.394 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.241 -8.345 3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.956 -9.362 1.842 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.171 -9.589 3.266 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.185 -9.819 1.528 1.00 0.00 H new ATOM 831 N VAL A 55 10.343 -6.328 2.075 1.00 0.00 N ATOM 832 CA VAL A 55 8.930 -5.983 1.977 1.00 0.00 C ATOM 833 C VAL A 55 8.672 -5.049 0.800 1.00 0.00 C ATOM 834 O VAL A 55 7.898 -5.370 -0.102 1.00 0.00 O ATOM 835 CB VAL A 55 8.424 -5.314 3.269 1.00 0.00 C ATOM 836 CG1 VAL A 55 6.965 -4.908 3.125 1.00 0.00 C ATOM 837 CG2 VAL A 55 8.612 -6.243 4.459 1.00 0.00 C ATOM 0 H VAL A 55 10.804 -5.983 2.917 1.00 0.00 H new ATOM 0 HA VAL A 55 8.387 -6.916 1.823 1.00 0.00 H new ATOM 0 HB VAL A 55 9.011 -4.413 3.444 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.626 -4.437 4.048 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.863 -4.204 2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.359 -5.792 2.925 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.249 -5.754 5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.052 -7.163 4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.670 -6.478 4.573 1.00 0.00 H new ATOM 847 N ARG A 56 9.326 -3.892 0.815 1.00 0.00 N ATOM 848 CA ARG A 56 9.168 -2.911 -0.251 1.00 0.00 C ATOM 849 C ARG A 56 9.451 -3.538 -1.613 1.00 0.00 C ATOM 850 O ARG A 56 8.964 -3.064 -2.640 1.00 0.00 O ATOM 851 CB ARG A 56 10.102 -1.721 -0.021 1.00 0.00 C ATOM 852 CG ARG A 56 11.494 -1.920 -0.598 1.00 0.00 C ATOM 853 CD ARG A 56 12.481 -0.911 -0.030 1.00 0.00 C ATOM 854 NE ARG A 56 12.520 0.318 -0.818 1.00 0.00 N ATOM 855 CZ ARG A 56 13.223 1.391 -0.472 1.00 0.00 C ATOM 856 NH1 ARG A 56 13.942 1.385 0.643 1.00 0.00 N ATOM 857 NH2 ARG A 56 13.209 2.472 -1.241 1.00 0.00 N ATOM 0 H ARG A 56 9.970 -3.611 1.554 1.00 0.00 H new ATOM 0 HA ARG A 56 8.136 -2.561 -0.239 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.658 -0.830 -0.465 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.185 -1.536 1.050 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.839 -2.931 -0.380 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.457 -1.823 -1.683 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.206 -0.674 0.998 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.476 -1.354 -0.000 1.00 0.00 H new ATOM 0 HE ARG A 56 11.978 0.355 -1.681 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.956 0.556 1.236 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.481 2.210 0.907 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.658 2.480 -2.099 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.749 3.295 -0.974 1.00 0.00 H new ATOM 871 N LYS A 57 10.242 -4.605 -1.615 1.00 0.00 N ATOM 872 CA LYS A 57 10.590 -5.298 -2.849 1.00 0.00 C ATOM 873 C LYS A 57 9.502 -6.293 -3.241 1.00 0.00 C ATOM 874 O LYS A 57 9.047 -6.313 -4.385 1.00 0.00 O ATOM 875 CB LYS A 57 11.927 -6.025 -2.691 1.00 0.00 C ATOM 876 CG LYS A 57 13.133 -5.154 -2.993 1.00 0.00 C ATOM 877 CD LYS A 57 14.305 -5.979 -3.499 1.00 0.00 C ATOM 878 CE LYS A 57 14.803 -6.949 -2.438 1.00 0.00 C ATOM 879 NZ LYS A 57 15.631 -6.265 -1.406 1.00 0.00 N ATOM 0 H LYS A 57 10.655 -5.009 -0.774 1.00 0.00 H new ATOM 0 HA LYS A 57 10.679 -4.554 -3.640 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.008 -6.402 -1.671 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.940 -6.891 -3.353 1.00 0.00 H new ATOM 0 HG2 LYS A 57 12.865 -4.406 -3.739 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.428 -4.615 -2.093 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.004 -6.533 -4.388 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.117 -5.315 -3.797 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.951 -7.432 -1.959 1.00 0.00 H new ATOM 0 HE3 LYS A 57 15.390 -7.736 -2.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 16.637 -6.349 -1.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 15.369 -5.260 -1.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 15.466 -6.708 -0.479 1.00 0.00 H new ATOM 893 N PHE A 58 9.087 -7.115 -2.283 1.00 0.00 N ATOM 894 CA PHE A 58 8.051 -8.112 -2.528 1.00 0.00 C ATOM 895 C PHE A 58 6.722 -7.444 -2.868 1.00 0.00 C ATOM 896 O PHE A 58 5.860 -8.042 -3.512 1.00 0.00 O ATOM 897 CB PHE A 58 7.882 -9.015 -1.304 1.00 0.00 C ATOM 898 CG PHE A 58 6.900 -10.132 -1.513 1.00 0.00 C ATOM 899 CD1 PHE A 58 7.112 -11.082 -2.499 1.00 0.00 C ATOM 900 CD2 PHE A 58 5.765 -10.231 -0.725 1.00 0.00 C ATOM 901 CE1 PHE A 58 6.210 -12.112 -2.694 1.00 0.00 C ATOM 902 CE2 PHE A 58 4.860 -11.258 -0.915 1.00 0.00 C ATOM 903 CZ PHE A 58 5.082 -12.199 -1.902 1.00 0.00 C ATOM 0 H PHE A 58 9.452 -7.111 -1.330 1.00 0.00 H new ATOM 0 HA PHE A 58 8.361 -8.719 -3.379 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.851 -9.439 -1.039 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.556 -8.409 -0.458 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.992 -11.017 -3.122 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.585 -9.497 0.047 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.388 -12.847 -3.465 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.980 -11.325 -0.293 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.375 -13.001 -2.054 1.00 0.00 H new ATOM 913 N ALA A 59 6.564 -6.199 -2.430 1.00 0.00 N ATOM 914 CA ALA A 59 5.342 -5.448 -2.689 1.00 0.00 C ATOM 915 C ALA A 59 5.293 -4.958 -4.132 1.00 0.00 C ATOM 916 O ALA A 59 4.271 -4.448 -4.590 1.00 0.00 O ATOM 917 CB ALA A 59 5.230 -4.274 -1.727 1.00 0.00 C ATOM 0 H ALA A 59 7.267 -5.690 -1.894 1.00 0.00 H new ATOM 0 HA ALA A 59 4.495 -6.116 -2.531 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.313 -3.722 -1.932 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.209 -4.644 -0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.088 -3.614 -1.857 1.00 0.00 H new ATOM 923 N ARG A 60 6.404 -5.116 -4.843 1.00 0.00 N ATOM 924 CA ARG A 60 6.488 -4.688 -6.235 1.00 0.00 C ATOM 925 C ARG A 60 6.066 -5.813 -7.176 1.00 0.00 C ATOM 926 O ARG A 60 5.455 -5.569 -8.217 1.00 0.00 O ATOM 927 CB ARG A 60 7.912 -4.239 -6.567 1.00 0.00 C ATOM 928 CG ARG A 60 8.814 -5.368 -7.037 1.00 0.00 C ATOM 929 CD ARG A 60 10.271 -5.097 -6.696 1.00 0.00 C ATOM 930 NE ARG A 60 10.967 -4.406 -7.779 1.00 0.00 N ATOM 931 CZ ARG A 60 12.288 -4.289 -7.847 1.00 0.00 C ATOM 932 NH1 ARG A 60 13.053 -4.815 -6.899 1.00 0.00 N ATOM 933 NH2 ARG A 60 12.847 -3.646 -8.864 1.00 0.00 N ATOM 0 H ARG A 60 7.259 -5.537 -4.479 1.00 0.00 H new ATOM 0 HA ARG A 60 5.807 -3.848 -6.373 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.871 -3.472 -7.341 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.353 -3.777 -5.684 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.499 -6.303 -6.574 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.709 -5.494 -8.115 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.325 -4.496 -5.788 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.775 -6.040 -6.484 1.00 0.00 H new ATOM 0 HE ARG A 60 10.407 -3.991 -8.524 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.627 -5.310 -6.116 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.067 -4.724 -6.953 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.262 -3.241 -9.595 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.862 -3.557 -8.915 1.00 0.00 H new ATOM 947 N LEU A 61 6.397 -7.044 -6.803 1.00 0.00 N ATOM 948 CA LEU A 61 6.052 -8.207 -7.614 1.00 0.00 C ATOM 949 C LEU A 61 4.669 -8.047 -8.236 1.00 0.00 C ATOM 950 O LEU A 61 4.448 -8.420 -9.387 1.00 0.00 O ATOM 951 CB LEU A 61 6.099 -9.478 -6.764 1.00 0.00 C ATOM 952 CG LEU A 61 7.443 -10.204 -6.715 1.00 0.00 C ATOM 953 CD1 LEU A 61 7.766 -10.821 -8.068 1.00 0.00 C ATOM 954 CD2 LEU A 61 8.549 -9.252 -6.283 1.00 0.00 C ATOM 0 H LEU A 61 6.903 -7.263 -5.945 1.00 0.00 H new ATOM 0 HA LEU A 61 6.783 -8.288 -8.418 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.811 -9.220 -5.745 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.348 -10.172 -7.142 1.00 0.00 H new ATOM 0 HG LEU A 61 7.374 -11.006 -5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.726 -11.334 -8.014 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.988 -11.535 -8.337 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.815 -10.037 -8.823 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.498 -9.787 -6.254 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.618 -8.428 -6.993 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.324 -8.858 -5.292 1.00 0.00 H new