USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 265 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 1 LYS N :NH3+ -161:sc= -1.78 (180deg=-3.05) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 61:sc= 0.469 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.424 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 9 ASN : amide:sc=-0.000483 X(o=-0.00048,f=-0.19) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HE2:sc= 0.0152 X(o=0.015,f=-0.48) USER MOD Single : A 22 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.53) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 46:sc= 0.601 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.138 0.107 -0.585 1.00 53.41 N ATOM 2 CA LYS A 1 0.955 0.167 -1.791 1.00 41.00 C ATOM 3 C LYS A 1 1.451 -1.222 -2.181 1.00 43.42 C ATOM 4 O LYS A 1 2.079 -1.396 -3.226 1.00 23.13 O ATOM 5 CB LYS A 1 2.146 1.105 -1.579 1.00 72.30 C ATOM 6 CG LYS A 1 1.746 2.551 -1.342 1.00 24.25 C ATOM 7 CD LYS A 1 2.371 3.100 -0.070 1.00 34.03 C ATOM 8 CE LYS A 1 3.816 3.517 -0.293 1.00 63.32 C ATOM 9 NZ LYS A 1 4.741 2.848 0.664 1.00 14.21 N ATOM 0 H1 LYS A 1 -0.442 0.967 -0.515 1.00 53.41 H new ATOM 0 H2 LYS A 1 -0.483 -0.726 -0.627 1.00 53.41 H new ATOM 0 H3 LYS A 1 0.755 0.037 0.249 1.00 53.41 H new ATOM 0 HA LYS A 1 0.336 0.553 -2.601 1.00 41.00 H new ATOM 0 HB2 LYS A 1 2.728 0.753 -0.727 1.00 72.30 H new ATOM 0 HB3 LYS A 1 2.797 1.055 -2.452 1.00 72.30 H new ATOM 0 HG2 LYS A 1 2.055 3.159 -2.192 1.00 24.25 H new ATOM 0 HG3 LYS A 1 0.660 2.623 -1.276 1.00 24.25 H new ATOM 0 HD2 LYS A 1 1.794 3.956 0.280 1.00 34.03 H new ATOM 0 HD3 LYS A 1 2.326 2.344 0.714 1.00 34.03 H new ATOM 0 HE2 LYS A 1 4.111 3.273 -1.314 1.00 63.32 H new ATOM 0 HE3 LYS A 1 3.903 4.598 -0.186 1.00 63.32 H new ATOM 0 HZ1 LYS A 1 5.716 3.159 0.479 1.00 14.21 H new ATOM 0 HZ2 LYS A 1 4.476 3.101 1.637 1.00 14.21 H new ATOM 0 HZ3 LYS A 1 4.678 1.817 0.545 1.00 14.21 H new ATOM 23 N TYR A 2 1.164 -2.206 -1.337 1.00 24.02 N ATOM 24 CA TYR A 2 1.582 -3.579 -1.593 1.00 65.13 C ATOM 25 C TYR A 2 0.376 -4.510 -1.671 1.00 64.31 C ATOM 26 O TYR A 2 -0.029 -4.928 -2.755 1.00 21.40 O ATOM 27 CB TYR A 2 2.539 -4.056 -0.499 1.00 42.02 C ATOM 28 CG TYR A 2 2.984 -5.491 -0.667 1.00 60.31 C ATOM 29 CD1 TYR A 2 2.866 -6.402 0.375 1.00 34.25 C ATOM 30 CD2 TYR A 2 3.523 -5.936 -1.868 1.00 24.34 C ATOM 31 CE1 TYR A 2 3.271 -7.714 0.227 1.00 23.40 C ATOM 32 CE2 TYR A 2 3.930 -7.247 -2.026 1.00 3.05 C ATOM 33 CZ TYR A 2 3.802 -8.132 -0.975 1.00 65.14 C ATOM 34 OH TYR A 2 4.208 -9.438 -1.128 1.00 70.13 O ATOM 0 H TYR A 2 0.643 -2.079 -0.469 1.00 24.02 H new ATOM 0 HA TYR A 2 2.098 -3.602 -2.553 1.00 65.13 H new ATOM 0 HB2 TYR A 2 3.417 -3.411 -0.490 1.00 42.02 H new ATOM 0 HB3 TYR A 2 2.053 -3.946 0.470 1.00 42.02 H new ATOM 0 HD1 TYR A 2 2.450 -6.078 1.318 1.00 34.25 H new ATOM 0 HD2 TYR A 2 3.626 -5.245 -2.692 1.00 24.34 H new ATOM 0 HE1 TYR A 2 3.172 -8.409 1.048 1.00 23.40 H new ATOM 0 HE2 TYR A 2 4.346 -7.577 -2.966 1.00 3.05 H new ATOM 0 HH TYR A 2 4.557 -9.568 -2.034 1.00 70.13 H new ATOM 44 N GLU A 3 -0.192 -4.830 -0.513 1.00 11.34 N ATOM 45 CA GLU A 3 -1.352 -5.711 -0.449 1.00 62.41 C ATOM 46 C GLU A 3 -2.603 -5.002 -0.957 1.00 54.43 C ATOM 47 O GLU A 3 -3.651 -5.623 -1.140 1.00 1.24 O ATOM 48 CB GLU A 3 -1.574 -6.196 0.985 1.00 22.02 C ATOM 49 CG GLU A 3 -0.685 -7.364 1.378 1.00 44.14 C ATOM 50 CD GLU A 3 -0.463 -7.451 2.875 1.00 35.32 C ATOM 51 OE1 GLU A 3 0.606 -7.948 3.288 1.00 15.35 O ATOM 52 OE2 GLU A 3 -1.359 -7.024 3.634 1.00 64.13 O ATOM 0 H GLU A 3 0.132 -4.493 0.393 1.00 11.34 H new ATOM 0 HA GLU A 3 -1.158 -6.571 -1.090 1.00 62.41 H new ATOM 0 HB2 GLU A 3 -1.396 -5.368 1.671 1.00 22.02 H new ATOM 0 HB3 GLU A 3 -2.617 -6.489 1.103 1.00 22.02 H new ATOM 0 HG2 GLU A 3 -1.135 -8.292 1.027 1.00 44.14 H new ATOM 0 HG3 GLU A 3 0.278 -7.267 0.877 1.00 44.14 H new ATOM 59 N ILE A 4 -2.486 -3.698 -1.183 1.00 53.51 N ATOM 60 CA ILE A 4 -3.607 -2.903 -1.670 1.00 72.43 C ATOM 61 C ILE A 4 -4.089 -3.407 -3.027 1.00 12.04 C ATOM 62 O ILE A 4 -5.250 -3.223 -3.394 1.00 13.25 O ATOM 63 CB ILE A 4 -3.232 -1.415 -1.792 1.00 2.30 C ATOM 64 CG1 ILE A 4 -2.021 -1.245 -2.713 1.00 35.14 C ATOM 65 CG2 ILE A 4 -2.946 -0.827 -0.418 1.00 43.33 C ATOM 66 CD1 ILE A 4 -2.387 -1.133 -4.176 1.00 43.52 C ATOM 0 H ILE A 4 -1.626 -3.169 -1.037 1.00 53.51 H new ATOM 0 HA ILE A 4 -4.409 -3.008 -0.939 1.00 72.43 H new ATOM 0 HB ILE A 4 -4.074 -0.878 -2.228 1.00 2.30 H new ATOM 0 HG12 ILE A 4 -1.470 -0.353 -2.415 1.00 35.14 H new ATOM 0 HG13 ILE A 4 -1.350 -2.093 -2.578 1.00 35.14 H new ATOM 0 HG21 ILE A 4 -2.682 0.226 -0.520 1.00 43.33 H new ATOM 0 HG22 ILE A 4 -3.833 -0.920 0.209 1.00 43.33 H new ATOM 0 HG23 ILE A 4 -2.118 -1.365 0.043 1.00 43.33 H new ATOM 0 HD11 ILE A 4 -1.481 -1.015 -4.770 1.00 43.52 H new ATOM 0 HD12 ILE A 4 -2.911 -2.036 -4.490 1.00 43.52 H new ATOM 0 HD13 ILE A 4 -3.033 -0.268 -4.324 1.00 43.52 H new ATOM 78 N THR A 5 -3.190 -4.046 -3.768 1.00 62.13 N ATOM 79 CA THR A 5 -3.523 -4.578 -5.084 1.00 3.51 C ATOM 80 C THR A 5 -4.212 -5.932 -4.971 1.00 70.43 C ATOM 81 O THR A 5 -5.069 -6.275 -5.787 1.00 13.15 O ATOM 82 CB THR A 5 -2.267 -4.725 -5.964 1.00 54.44 C ATOM 83 OG1 THR A 5 -1.089 -4.523 -5.176 1.00 33.23 O ATOM 84 CG2 THR A 5 -2.292 -3.727 -7.113 1.00 2.14 C ATOM 0 H THR A 5 -2.225 -4.208 -3.479 1.00 62.13 H new ATOM 0 HA THR A 5 -4.203 -3.866 -5.551 1.00 3.51 H new ATOM 0 HB THR A 5 -2.257 -5.733 -6.378 1.00 54.44 H new ATOM 0 HG1 THR A 5 -1.054 -5.193 -4.462 1.00 33.23 H new ATOM 0 HG21 THR A 5 -1.395 -3.849 -7.721 1.00 2.14 H new ATOM 0 HG22 THR A 5 -3.174 -3.903 -7.728 1.00 2.14 H new ATOM 0 HG23 THR A 5 -2.324 -2.713 -6.714 1.00 2.14 H new ATOM 92 N THR A 6 -3.833 -6.701 -3.955 1.00 33.40 N ATOM 93 CA THR A 6 -4.415 -8.020 -3.736 1.00 1.41 C ATOM 94 C THR A 6 -5.521 -7.965 -2.689 1.00 35.31 C ATOM 95 O THR A 6 -5.255 -7.793 -1.499 1.00 50.01 O ATOM 96 CB THR A 6 -3.349 -9.037 -3.287 1.00 5.51 C ATOM 97 OG1 THR A 6 -2.111 -8.777 -3.958 1.00 44.30 O ATOM 98 CG2 THR A 6 -3.801 -10.459 -3.579 1.00 23.31 C ATOM 0 H THR A 6 -3.126 -6.433 -3.271 1.00 33.40 H new ATOM 0 HA THR A 6 -4.835 -8.342 -4.689 1.00 1.41 H new ATOM 0 HB THR A 6 -3.208 -8.931 -2.211 1.00 5.51 H new ATOM 0 HG1 THR A 6 -1.438 -9.427 -3.666 1.00 44.30 H new ATOM 0 HG21 THR A 6 -3.032 -11.159 -3.253 1.00 23.31 H new ATOM 0 HG22 THR A 6 -4.728 -10.663 -3.043 1.00 23.31 H new ATOM 0 HG23 THR A 6 -3.967 -10.575 -4.650 1.00 23.31 H new ATOM 106 N ILE A 7 -6.763 -8.114 -3.139 1.00 1.33 N ATOM 107 CA ILE A 7 -7.910 -8.083 -2.239 1.00 65.23 C ATOM 108 C ILE A 7 -8.474 -9.483 -2.021 1.00 13.31 C ATOM 109 O ILE A 7 -8.267 -10.091 -0.970 1.00 54.51 O ATOM 110 CB ILE A 7 -9.025 -7.170 -2.781 1.00 35.24 C ATOM 111 CG1 ILE A 7 -8.508 -5.740 -2.949 1.00 64.33 C ATOM 112 CG2 ILE A 7 -10.229 -7.197 -1.851 1.00 34.02 C ATOM 113 CD1 ILE A 7 -7.831 -5.496 -4.280 1.00 3.12 C ATOM 0 H ILE A 7 -7.000 -8.257 -4.121 1.00 1.33 H new ATOM 0 HA ILE A 7 -7.556 -7.684 -1.288 1.00 65.23 H new ATOM 0 HB ILE A 7 -9.335 -7.541 -3.758 1.00 35.24 H new ATOM 0 HG12 ILE A 7 -9.341 -5.046 -2.841 1.00 64.33 H new ATOM 0 HG13 ILE A 7 -7.804 -5.520 -2.146 1.00 64.33 H new ATOM 0 HG21 ILE A 7 -11.009 -6.547 -2.247 1.00 34.02 H new ATOM 0 HG22 ILE A 7 -10.609 -8.216 -1.777 1.00 34.02 H new ATOM 0 HG23 ILE A 7 -9.933 -6.847 -0.862 1.00 34.02 H new ATOM 0 HD11 ILE A 7 -7.489 -4.462 -4.330 1.00 3.12 H new ATOM 0 HD12 ILE A 7 -6.977 -6.166 -4.382 1.00 3.12 H new ATOM 0 HD13 ILE A 7 -8.538 -5.684 -5.088 1.00 3.12 H new ATOM 125 N HIS A 8 -9.188 -9.990 -3.021 1.00 44.15 N ATOM 126 CA HIS A 8 -9.781 -11.320 -2.940 1.00 43.01 C ATOM 127 C HIS A 8 -9.265 -12.214 -4.063 1.00 61.53 C ATOM 128 O HIS A 8 -8.549 -13.184 -3.818 1.00 64.01 O ATOM 129 CB HIS A 8 -11.305 -11.226 -3.006 1.00 74.53 C ATOM 130 CG HIS A 8 -11.992 -12.552 -2.891 1.00 73.44 C ATOM 131 ND1 HIS A 8 -11.609 -13.523 -1.990 1.00 51.00 N ATOM 132 CD2 HIS A 8 -13.045 -13.066 -3.570 1.00 10.21 C ATOM 133 CE1 HIS A 8 -12.395 -14.577 -2.120 1.00 52.33 C ATOM 134 NE2 HIS A 8 -13.275 -14.325 -3.072 1.00 55.32 N ATOM 0 H HIS A 8 -9.370 -9.500 -3.897 1.00 44.15 H new ATOM 0 HA HIS A 8 -9.493 -11.762 -1.986 1.00 43.01 H new ATOM 0 HB2 HIS A 8 -11.656 -10.574 -2.206 1.00 74.53 H new ATOM 0 HB3 HIS A 8 -11.592 -10.758 -3.948 1.00 74.53 H new ATOM 0 HD2 HIS A 8 -13.600 -12.577 -4.357 1.00 10.21 H new ATOM 0 HE1 HIS A 8 -12.329 -15.489 -1.546 1.00 52.33 H new ATOM 0 HE2 HIS A 8 -14.007 -14.962 -3.386 1.00 55.32 H new ATOM 142 N ASN A 9 -9.635 -11.882 -5.296 1.00 12.33 N ATOM 143 CA ASN A 9 -9.211 -12.656 -6.457 1.00 1.15 C ATOM 144 C ASN A 9 -8.422 -11.787 -7.431 1.00 52.34 C ATOM 145 O ASN A 9 -7.918 -12.272 -8.445 1.00 54.13 O ATOM 146 CB ASN A 9 -10.425 -13.262 -7.163 1.00 52.43 C ATOM 147 CG ASN A 9 -10.306 -14.764 -7.332 1.00 13.02 C ATOM 148 OD1 ASN A 9 -9.237 -15.281 -7.655 1.00 3.20 O ATOM 149 ND2 ASN A 9 -11.408 -15.473 -7.113 1.00 42.31 N ATOM 0 H ASN A 9 -10.228 -11.082 -5.517 1.00 12.33 H new ATOM 0 HA ASN A 9 -8.563 -13.461 -6.110 1.00 1.15 H new ATOM 0 HB2 ASN A 9 -11.325 -13.034 -6.592 1.00 52.43 H new ATOM 0 HB3 ASN A 9 -10.542 -12.797 -8.142 1.00 52.43 H new ATOM 0 HD21 ASN A 9 -11.389 -16.488 -7.211 1.00 42.31 H new ATOM 0 HD22 ASN A 9 -12.273 -15.002 -6.847 1.00 42.31 H new ATOM 156 N LEU A 10 -8.319 -10.500 -7.117 1.00 63.15 N ATOM 157 CA LEU A 10 -7.591 -9.562 -7.965 1.00 25.11 C ATOM 158 C LEU A 10 -6.193 -10.086 -8.282 1.00 15.12 C ATOM 159 O LEU A 10 -5.929 -10.548 -9.392 1.00 34.10 O ATOM 160 CB LEU A 10 -7.493 -8.197 -7.282 1.00 1.13 C ATOM 161 CG LEU A 10 -8.710 -7.284 -7.430 1.00 14.33 C ATOM 162 CD1 LEU A 10 -9.712 -7.545 -6.316 1.00 12.23 C ATOM 163 CD2 LEU A 10 -8.284 -5.823 -7.434 1.00 41.14 C ATOM 0 H LEU A 10 -8.730 -10.082 -6.282 1.00 63.15 H new ATOM 0 HA LEU A 10 -8.140 -9.455 -8.901 1.00 25.11 H new ATOM 0 HB2 LEU A 10 -7.311 -8.357 -6.219 1.00 1.13 H new ATOM 0 HB3 LEU A 10 -6.622 -7.676 -7.680 1.00 1.13 H new ATOM 0 HG LEU A 10 -9.191 -7.504 -8.383 1.00 14.33 H new ATOM 0 HD11 LEU A 10 -10.572 -6.886 -6.438 1.00 12.23 H new ATOM 0 HD12 LEU A 10 -10.042 -8.583 -6.359 1.00 12.23 H new ATOM 0 HD13 LEU A 10 -9.242 -7.353 -5.351 1.00 12.23 H new ATOM 0 HD21 LEU A 10 -9.163 -5.188 -7.540 1.00 41.14 H new ATOM 0 HD22 LEU A 10 -7.778 -5.589 -6.497 1.00 41.14 H new ATOM 0 HD23 LEU A 10 -7.605 -5.644 -8.267 1.00 41.14 H new ATOM 175 N PHE A 11 -5.302 -10.012 -7.299 1.00 35.34 N ATOM 176 CA PHE A 11 -3.932 -10.480 -7.472 1.00 33.20 C ATOM 177 C PHE A 11 -3.772 -11.902 -6.942 1.00 70.24 C ATOM 178 O PHE A 11 -2.665 -12.337 -6.625 1.00 3.43 O ATOM 179 CB PHE A 11 -2.957 -9.544 -6.756 1.00 23.14 C ATOM 180 CG PHE A 11 -2.496 -8.394 -7.605 1.00 31.20 C ATOM 181 CD1 PHE A 11 -3.389 -7.419 -8.017 1.00 54.41 C ATOM 182 CD2 PHE A 11 -1.170 -8.289 -7.992 1.00 23.31 C ATOM 183 CE1 PHE A 11 -2.969 -6.359 -8.798 1.00 42.15 C ATOM 184 CE2 PHE A 11 -0.743 -7.232 -8.773 1.00 13.32 C ATOM 185 CZ PHE A 11 -1.644 -6.266 -9.178 1.00 31.04 C ATOM 0 H PHE A 11 -5.504 -9.632 -6.374 1.00 35.34 H new ATOM 0 HA PHE A 11 -3.707 -10.481 -8.538 1.00 33.20 H new ATOM 0 HB2 PHE A 11 -3.435 -9.153 -5.858 1.00 23.14 H new ATOM 0 HB3 PHE A 11 -2.088 -10.117 -6.432 1.00 23.14 H new ATOM 0 HD1 PHE A 11 -4.426 -7.488 -7.724 1.00 54.41 H new ATOM 0 HD2 PHE A 11 -0.462 -9.042 -7.680 1.00 23.31 H new ATOM 0 HE1 PHE A 11 -3.676 -5.604 -9.111 1.00 42.15 H new ATOM 0 HE2 PHE A 11 0.294 -7.161 -9.067 1.00 13.32 H new ATOM 0 HZ PHE A 11 -1.313 -5.440 -9.790 1.00 31.04 H new ATOM 195 N ARG A 12 -4.886 -12.622 -6.850 1.00 4.33 N ATOM 196 CA ARG A 12 -4.870 -13.994 -6.357 1.00 41.21 C ATOM 197 C ARG A 12 -5.416 -14.955 -7.409 1.00 33.25 C ATOM 198 O ARG A 12 -6.366 -15.696 -7.154 1.00 70.34 O ATOM 199 CB ARG A 12 -5.692 -14.106 -5.072 1.00 22.13 C ATOM 200 CG ARG A 12 -4.943 -13.653 -3.829 1.00 34.23 C ATOM 201 CD ARG A 12 -4.609 -14.827 -2.921 1.00 53.41 C ATOM 202 NE ARG A 12 -3.630 -14.467 -1.899 1.00 42.34 N ATOM 203 CZ ARG A 12 -3.309 -15.254 -0.879 1.00 32.31 C ATOM 204 NH1 ARG A 12 -3.887 -16.440 -0.745 1.00 72.02 N ATOM 205 NH2 ARG A 12 -2.408 -14.857 0.010 1.00 11.53 N ATOM 0 H ARG A 12 -5.810 -12.278 -7.110 1.00 4.33 H new ATOM 0 HA ARG A 12 -3.836 -14.266 -6.143 1.00 41.21 H new ATOM 0 HB2 ARG A 12 -6.598 -13.510 -5.177 1.00 22.13 H new ATOM 0 HB3 ARG A 12 -6.005 -15.142 -4.940 1.00 22.13 H new ATOM 0 HG2 ARG A 12 -4.024 -13.145 -4.122 1.00 34.23 H new ATOM 0 HG3 ARG A 12 -5.547 -12.929 -3.282 1.00 34.23 H new ATOM 0 HD2 ARG A 12 -5.520 -15.184 -2.441 1.00 53.41 H new ATOM 0 HD3 ARG A 12 -4.221 -15.650 -3.521 1.00 53.41 H new ATOM 0 HE ARG A 12 -3.167 -13.561 -1.973 1.00 42.34 H new ATOM 0 HH11 ARG A 12 -4.580 -16.750 -1.426 1.00 72.02 H new ATOM 0 HH12 ARG A 12 -3.639 -17.043 0.040 1.00 72.02 H new ATOM 0 HH21 ARG A 12 -1.961 -13.946 -0.089 1.00 11.53 H new ATOM 0 HH22 ARG A 12 -2.163 -15.463 0.793 1.00 11.53 H new ATOM 219 N LYS A 13 -4.810 -14.937 -8.591 1.00 32.32 N ATOM 220 CA LYS A 13 -5.234 -15.807 -9.682 1.00 31.14 C ATOM 221 C LYS A 13 -4.986 -17.272 -9.337 1.00 34.21 C ATOM 222 O LYS A 13 -5.890 -17.975 -8.881 1.00 42.41 O ATOM 223 CB LYS A 13 -4.492 -15.443 -10.970 1.00 11.35 C ATOM 224 CG LYS A 13 -4.729 -16.422 -12.106 1.00 74.10 C ATOM 225 CD LYS A 13 -6.209 -16.717 -12.288 1.00 63.40 C ATOM 226 CE LYS A 13 -6.510 -17.208 -13.696 1.00 11.11 C ATOM 227 NZ LYS A 13 -6.987 -16.106 -14.577 1.00 21.10 N ATOM 0 H LYS A 13 -4.023 -14.329 -8.818 1.00 32.32 H new ATOM 0 HA LYS A 13 -6.304 -15.663 -9.833 1.00 31.14 H new ATOM 0 HB2 LYS A 13 -4.802 -14.448 -11.289 1.00 11.35 H new ATOM 0 HB3 LYS A 13 -3.423 -15.393 -10.762 1.00 11.35 H new ATOM 0 HG2 LYS A 13 -4.322 -16.013 -13.031 1.00 74.10 H new ATOM 0 HG3 LYS A 13 -4.194 -17.350 -11.905 1.00 74.10 H new ATOM 0 HD2 LYS A 13 -6.523 -17.469 -11.564 1.00 63.40 H new ATOM 0 HD3 LYS A 13 -6.788 -15.817 -12.084 1.00 63.40 H new ATOM 0 HE2 LYS A 13 -5.612 -17.653 -14.125 1.00 11.11 H new ATOM 0 HE3 LYS A 13 -7.266 -17.992 -13.653 1.00 11.11 H new ATOM 0 HZ1 LYS A 13 -7.181 -16.481 -15.527 1.00 21.10 H new ATOM 0 HZ2 LYS A 13 -7.858 -15.697 -14.181 1.00 21.10 H new ATOM 0 HZ3 LYS A 13 -6.256 -15.369 -14.638 1.00 21.10 H new ATOM 241 N LEU A 14 -3.758 -17.727 -9.556 1.00 23.13 N ATOM 242 CA LEU A 14 -3.391 -19.109 -9.267 1.00 24.05 C ATOM 243 C LEU A 14 -2.251 -19.169 -8.255 1.00 65.40 C ATOM 244 O LEU A 14 -2.479 -19.181 -7.045 1.00 1.11 O ATOM 245 CB LEU A 14 -2.985 -19.830 -10.553 1.00 44.54 C ATOM 246 CG LEU A 14 -4.082 -20.641 -11.243 1.00 62.01 C ATOM 247 CD1 LEU A 14 -4.619 -21.715 -10.309 1.00 43.44 C ATOM 248 CD2 LEU A 14 -5.206 -19.728 -11.711 1.00 64.25 C ATOM 0 H LEU A 14 -2.999 -17.159 -9.933 1.00 23.13 H new ATOM 0 HA LEU A 14 -4.260 -19.607 -8.838 1.00 24.05 H new ATOM 0 HB2 LEU A 14 -2.611 -19.088 -11.259 1.00 44.54 H new ATOM 0 HB3 LEU A 14 -2.156 -20.499 -10.324 1.00 44.54 H new ATOM 0 HG LEU A 14 -3.651 -21.130 -12.116 1.00 62.01 H new ATOM 0 HD11 LEU A 14 -5.399 -22.282 -10.817 1.00 43.44 H new ATOM 0 HD12 LEU A 14 -3.809 -22.387 -10.023 1.00 43.44 H new ATOM 0 HD13 LEU A 14 -5.034 -21.247 -9.416 1.00 43.44 H new ATOM 0 HD21 LEU A 14 -5.978 -20.322 -12.200 1.00 64.25 H new ATOM 0 HD22 LEU A 14 -5.635 -19.210 -10.853 1.00 64.25 H new ATOM 0 HD23 LEU A 14 -4.811 -18.996 -12.416 1.00 64.25 H new ATOM 260 N THR A 15 -1.021 -19.206 -8.759 1.00 4.35 N ATOM 261 CA THR A 15 0.155 -19.264 -7.900 1.00 4.53 C ATOM 262 C THR A 15 1.097 -18.098 -8.178 1.00 44.12 C ATOM 263 O THR A 15 1.032 -17.062 -7.516 1.00 3.15 O ATOM 264 CB THR A 15 0.924 -20.586 -8.087 1.00 55.52 C ATOM 265 OG1 THR A 15 0.701 -21.099 -9.405 1.00 53.13 O ATOM 266 CG2 THR A 15 0.488 -21.615 -7.056 1.00 32.50 C ATOM 0 H THR A 15 -0.814 -19.197 -9.758 1.00 4.35 H new ATOM 0 HA THR A 15 -0.202 -19.203 -6.872 1.00 4.53 H new ATOM 0 HB THR A 15 1.987 -20.386 -7.950 1.00 55.52 H new ATOM 0 HG1 THR A 15 1.194 -21.938 -9.517 1.00 53.13 H new ATOM 0 HG21 THR A 15 1.044 -22.540 -7.207 1.00 32.50 H new ATOM 0 HG22 THR A 15 0.685 -21.233 -6.054 1.00 32.50 H new ATOM 0 HG23 THR A 15 -0.579 -21.811 -7.166 1.00 32.50 H new ATOM 274 N HIS A 16 1.973 -18.273 -9.163 1.00 50.30 N ATOM 275 CA HIS A 16 2.928 -17.233 -9.530 1.00 64.41 C ATOM 276 C HIS A 16 2.775 -16.849 -10.999 1.00 3.14 C ATOM 277 O HIS A 16 3.729 -16.928 -11.773 1.00 73.25 O ATOM 278 CB HIS A 16 4.357 -17.707 -9.261 1.00 1.41 C ATOM 279 CG HIS A 16 4.602 -19.129 -9.660 1.00 62.11 C ATOM 280 ND1 HIS A 16 4.849 -19.514 -10.961 1.00 52.11 N ATOM 281 CD2 HIS A 16 4.639 -20.262 -8.921 1.00 25.32 C ATOM 282 CE1 HIS A 16 5.025 -20.822 -11.005 1.00 23.40 C ATOM 283 NE2 HIS A 16 4.904 -21.301 -9.780 1.00 11.52 N ATOM 0 H HIS A 16 2.041 -19.124 -9.721 1.00 50.30 H new ATOM 0 HA HIS A 16 2.723 -16.353 -8.920 1.00 64.41 H new ATOM 0 HB2 HIS A 16 5.052 -17.063 -9.799 1.00 1.41 H new ATOM 0 HB3 HIS A 16 4.575 -17.594 -8.199 1.00 1.41 H new ATOM 0 HD1 HIS A 16 4.889 -18.886 -11.764 1.00 52.11 H new ATOM 0 HD2 HIS A 16 4.488 -20.336 -7.854 1.00 25.32 H new ATOM 0 HE1 HIS A 16 5.233 -21.402 -11.892 1.00 23.40 H new ATOM 291 N ARG A 17 1.570 -16.433 -11.374 1.00 21.21 N ATOM 292 CA ARG A 17 1.292 -16.039 -12.750 1.00 2.54 C ATOM 293 C ARG A 17 2.349 -15.063 -13.259 1.00 52.33 C ATOM 294 O ARG A 17 3.225 -15.432 -14.042 1.00 74.45 O ATOM 295 CB ARG A 17 -0.095 -15.402 -12.850 1.00 35.52 C ATOM 296 CG ARG A 17 -1.118 -16.279 -13.555 1.00 44.21 C ATOM 297 CD ARG A 17 -1.233 -17.643 -12.894 1.00 25.32 C ATOM 298 NE ARG A 17 -0.443 -18.657 -13.589 1.00 0.53 N ATOM 299 CZ ARG A 17 -0.784 -19.177 -14.762 1.00 53.13 C ATOM 300 NH1 ARG A 17 -1.895 -18.781 -15.369 1.00 22.21 N ATOM 301 NH2 ARG A 17 -0.014 -20.095 -15.332 1.00 2.04 N ATOM 0 H ARG A 17 0.771 -16.360 -10.745 1.00 21.21 H new ATOM 0 HA ARG A 17 1.319 -16.934 -13.371 1.00 2.54 H new ATOM 0 HB2 ARG A 17 -0.454 -15.174 -11.846 1.00 35.52 H new ATOM 0 HB3 ARG A 17 -0.013 -14.454 -13.382 1.00 35.52 H new ATOM 0 HG2 ARG A 17 -2.090 -15.786 -13.545 1.00 44.21 H new ATOM 0 HG3 ARG A 17 -0.834 -16.403 -14.600 1.00 44.21 H new ATOM 0 HD2 ARG A 17 -0.902 -17.573 -11.858 1.00 25.32 H new ATOM 0 HD3 ARG A 17 -2.279 -17.949 -12.874 1.00 25.32 H new ATOM 0 HE ARG A 17 0.417 -18.983 -13.149 1.00 0.53 H new ATOM 0 HH11 ARG A 17 -2.490 -18.075 -14.935 1.00 22.21 H new ATOM 0 HH12 ARG A 17 -2.155 -19.182 -16.270 1.00 22.21 H new ATOM 0 HH21 ARG A 17 0.841 -20.402 -14.869 1.00 2.04 H new ATOM 0 HH22 ARG A 17 -0.277 -20.494 -16.233 1.00 2.04 H new ATOM 315 N LEU A 18 2.260 -13.816 -12.810 1.00 41.55 N ATOM 316 CA LEU A 18 3.208 -12.785 -13.221 1.00 60.51 C ATOM 317 C LEU A 18 3.946 -12.212 -12.015 1.00 74.42 C ATOM 318 O LEU A 18 4.892 -11.438 -12.163 1.00 74.31 O ATOM 319 CB LEU A 18 2.482 -11.666 -13.969 1.00 3.42 C ATOM 320 CG LEU A 18 1.409 -10.916 -13.178 1.00 64.12 C ATOM 321 CD1 LEU A 18 1.614 -9.414 -13.292 1.00 41.53 C ATOM 322 CD2 LEU A 18 0.020 -11.305 -13.663 1.00 23.32 C ATOM 0 H LEU A 18 1.542 -13.494 -12.162 1.00 41.55 H new ATOM 0 HA LEU A 18 3.939 -13.243 -13.887 1.00 60.51 H new ATOM 0 HB2 LEU A 18 3.224 -10.944 -14.311 1.00 3.42 H new ATOM 0 HB3 LEU A 18 2.018 -12.092 -14.858 1.00 3.42 H new ATOM 0 HG LEU A 18 1.497 -11.195 -12.128 1.00 64.12 H new ATOM 0 HD11 LEU A 18 0.841 -8.897 -12.723 1.00 41.53 H new ATOM 0 HD12 LEU A 18 2.594 -9.150 -12.896 1.00 41.53 H new ATOM 0 HD13 LEU A 18 1.553 -9.117 -14.339 1.00 41.53 H new ATOM 0 HD21 LEU A 18 -0.731 -10.762 -13.089 1.00 23.32 H new ATOM 0 HD22 LEU A 18 -0.080 -11.055 -14.719 1.00 23.32 H new ATOM 0 HD23 LEU A 18 -0.126 -12.377 -13.528 1.00 23.32 H new ATOM 334 N PHE A 19 3.508 -12.599 -10.822 1.00 32.24 N ATOM 335 CA PHE A 19 4.127 -12.125 -9.590 1.00 1.05 C ATOM 336 C PHE A 19 5.557 -12.644 -9.465 1.00 34.04 C ATOM 337 O PHE A 19 6.336 -12.157 -8.645 1.00 53.03 O ATOM 338 CB PHE A 19 3.304 -12.567 -8.377 1.00 44.44 C ATOM 339 CG PHE A 19 1.824 -12.391 -8.562 1.00 21.35 C ATOM 340 CD1 PHE A 19 0.943 -13.397 -8.198 1.00 65.31 C ATOM 341 CD2 PHE A 19 1.313 -11.221 -9.099 1.00 3.45 C ATOM 342 CE1 PHE A 19 -0.419 -13.239 -8.366 1.00 34.11 C ATOM 343 CE2 PHE A 19 -0.048 -11.057 -9.268 1.00 54.52 C ATOM 344 CZ PHE A 19 -0.916 -12.067 -8.903 1.00 22.43 C ATOM 0 H PHE A 19 2.727 -13.240 -10.682 1.00 32.24 H new ATOM 0 HA PHE A 19 4.156 -11.036 -9.623 1.00 1.05 H new ATOM 0 HB2 PHE A 19 3.514 -13.616 -8.168 1.00 44.44 H new ATOM 0 HB3 PHE A 19 3.623 -11.998 -7.504 1.00 44.44 H new ATOM 0 HD1 PHE A 19 1.326 -14.315 -7.778 1.00 65.31 H new ATOM 0 HD2 PHE A 19 1.986 -10.428 -9.389 1.00 3.45 H new ATOM 0 HE1 PHE A 19 -1.095 -14.031 -8.078 1.00 34.11 H new ATOM 0 HE2 PHE A 19 -0.433 -10.139 -9.686 1.00 54.52 H new ATOM 0 HZ PHE A 19 -1.980 -11.941 -9.037 1.00 22.43 H new ATOM 354 N ARG A 20 5.893 -13.636 -10.283 1.00 2.23 N ATOM 355 CA ARG A 20 7.228 -14.223 -10.263 1.00 54.22 C ATOM 356 C ARG A 20 8.266 -13.229 -10.776 1.00 60.43 C ATOM 357 O ARG A 20 9.411 -13.223 -10.323 1.00 73.52 O ATOM 358 CB ARG A 20 7.261 -15.495 -11.112 1.00 34.34 C ATOM 359 CG ARG A 20 8.661 -16.046 -11.330 1.00 15.40 C ATOM 360 CD ARG A 20 8.622 -17.453 -11.904 1.00 25.31 C ATOM 361 NE ARG A 20 9.641 -18.315 -11.309 1.00 12.41 N ATOM 362 CZ ARG A 20 10.002 -19.486 -11.820 1.00 20.43 C ATOM 363 NH1 ARG A 20 9.431 -19.934 -12.930 1.00 1.14 N ATOM 364 NH2 ARG A 20 10.937 -20.213 -11.220 1.00 73.04 N ATOM 0 H ARG A 20 5.260 -14.050 -10.967 1.00 2.23 H new ATOM 0 HA ARG A 20 7.471 -14.476 -9.231 1.00 54.22 H new ATOM 0 HB2 ARG A 20 6.650 -16.259 -10.631 1.00 34.34 H new ATOM 0 HB3 ARG A 20 6.807 -15.287 -12.081 1.00 34.34 H new ATOM 0 HG2 ARG A 20 9.210 -15.391 -12.007 1.00 15.40 H new ATOM 0 HG3 ARG A 20 9.202 -16.053 -10.384 1.00 15.40 H new ATOM 0 HD2 ARG A 20 7.636 -17.887 -11.735 1.00 25.31 H new ATOM 0 HD3 ARG A 20 8.770 -17.409 -12.983 1.00 25.31 H new ATOM 0 HE ARG A 20 10.100 -18.000 -10.454 1.00 12.41 H new ATOM 0 HH11 ARG A 20 8.712 -19.378 -13.394 1.00 1.14 H new ATOM 0 HH12 ARG A 20 9.711 -20.834 -13.320 1.00 1.14 H new ATOM 0 HH21 ARG A 20 11.378 -19.872 -10.366 1.00 73.04 H new ATOM 0 HH22 ARG A 20 11.214 -21.113 -11.613 1.00 73.04 H new ATOM 378 N ARG A 21 7.858 -12.392 -11.724 1.00 43.30 N ATOM 379 CA ARG A 21 8.754 -11.395 -12.300 1.00 35.51 C ATOM 380 C ARG A 21 8.215 -9.986 -12.074 1.00 5.44 C ATOM 381 O ARG A 21 8.492 -9.073 -12.851 1.00 31.10 O ATOM 382 CB ARG A 21 8.937 -11.649 -13.797 1.00 41.44 C ATOM 383 CG ARG A 21 9.590 -12.984 -14.114 1.00 32.32 C ATOM 384 CD ARG A 21 9.004 -13.606 -15.372 1.00 23.42 C ATOM 385 NE ARG A 21 8.097 -14.709 -15.066 1.00 13.13 N ATOM 386 CZ ARG A 21 7.306 -15.282 -15.967 1.00 5.03 C ATOM 387 NH1 ARG A 21 7.313 -14.859 -17.223 1.00 72.33 N ATOM 388 NH2 ARG A 21 6.508 -16.280 -15.611 1.00 62.53 N ATOM 0 H ARG A 21 6.914 -12.384 -12.110 1.00 43.30 H new ATOM 0 HA ARG A 21 9.720 -11.480 -11.803 1.00 35.51 H new ATOM 0 HB2 ARG A 21 7.964 -11.605 -14.286 1.00 41.44 H new ATOM 0 HB3 ARG A 21 9.543 -10.848 -14.221 1.00 41.44 H new ATOM 0 HG2 ARG A 21 10.663 -12.844 -14.242 1.00 32.32 H new ATOM 0 HG3 ARG A 21 9.455 -13.665 -13.273 1.00 32.32 H new ATOM 0 HD2 ARG A 21 8.469 -12.843 -15.938 1.00 23.42 H new ATOM 0 HD3 ARG A 21 9.812 -13.967 -16.008 1.00 23.42 H new ATOM 0 HE ARG A 21 8.069 -15.059 -14.108 1.00 13.13 H new ATOM 0 HH11 ARG A 21 7.926 -14.092 -17.500 1.00 72.33 H new ATOM 0 HH12 ARG A 21 6.705 -15.300 -17.913 1.00 72.33 H new ATOM 0 HH21 ARG A 21 6.501 -16.608 -14.645 1.00 62.53 H new ATOM 0 HH22 ARG A 21 5.901 -16.719 -16.303 1.00 62.53 H new ATOM 402 N ASN A 22 7.445 -9.816 -11.004 1.00 22.32 N ATOM 403 CA ASN A 22 6.867 -8.518 -10.676 1.00 23.12 C ATOM 404 C ASN A 22 7.402 -8.006 -9.342 1.00 31.23 C ATOM 405 O ASN A 22 7.316 -6.815 -9.042 1.00 62.02 O ATOM 406 CB ASN A 22 5.341 -8.614 -10.623 1.00 62.53 C ATOM 407 CG ASN A 22 4.673 -7.813 -11.724 1.00 1.24 C ATOM 408 OD1 ASN A 22 5.149 -7.778 -12.858 1.00 62.44 O ATOM 409 ND2 ASN A 22 3.564 -7.163 -11.392 1.00 13.13 N ATOM 0 H ASN A 22 7.207 -10.561 -10.349 1.00 22.32 H new ATOM 0 HA ASN A 22 7.153 -7.813 -11.457 1.00 23.12 H new ATOM 0 HB2 ASN A 22 5.042 -9.659 -10.705 1.00 62.53 H new ATOM 0 HB3 ASN A 22 4.991 -8.258 -9.654 1.00 62.53 H new ATOM 0 HD21 ASN A 22 3.071 -6.606 -12.090 1.00 13.13 H new ATOM 0 HD22 ASN A 22 3.205 -7.220 -10.439 1.00 13.13 H new ATOM 416 N PHE A 23 7.954 -8.914 -8.544 1.00 62.31 N ATOM 417 CA PHE A 23 8.503 -8.555 -7.242 1.00 32.44 C ATOM 418 C PHE A 23 9.461 -7.374 -7.362 1.00 15.43 C ATOM 419 O PHE A 23 9.503 -6.504 -6.493 1.00 13.24 O ATOM 420 CB PHE A 23 9.227 -9.752 -6.622 1.00 62.42 C ATOM 421 CG PHE A 23 10.491 -10.127 -7.343 1.00 1.55 C ATOM 422 CD1 PHE A 23 10.449 -10.923 -8.475 1.00 54.04 C ATOM 423 CD2 PHE A 23 11.722 -9.682 -6.886 1.00 74.12 C ATOM 424 CE1 PHE A 23 11.610 -11.269 -9.141 1.00 13.21 C ATOM 425 CE2 PHE A 23 12.886 -10.024 -7.548 1.00 32.33 C ATOM 426 CZ PHE A 23 12.830 -10.820 -8.676 1.00 0.44 C ATOM 0 H PHE A 23 8.033 -9.904 -8.776 1.00 62.31 H new ATOM 0 HA PHE A 23 7.675 -8.265 -6.595 1.00 32.44 H new ATOM 0 HB2 PHE A 23 9.465 -9.524 -5.583 1.00 62.42 H new ATOM 0 HB3 PHE A 23 8.554 -10.610 -6.615 1.00 62.42 H new ATOM 0 HD1 PHE A 23 9.497 -11.278 -8.842 1.00 54.04 H new ATOM 0 HD2 PHE A 23 11.772 -9.062 -6.003 1.00 74.12 H new ATOM 0 HE1 PHE A 23 11.563 -11.890 -10.024 1.00 13.21 H new ATOM 0 HE2 PHE A 23 13.839 -9.669 -7.184 1.00 32.33 H new ATOM 0 HZ PHE A 23 13.739 -11.090 -9.193 1.00 0.44 H new ATOM 436 N GLY A 24 10.229 -7.350 -8.446 1.00 63.14 N ATOM 437 CA GLY A 24 11.177 -6.272 -8.661 1.00 33.01 C ATOM 438 C GLY A 24 10.538 -4.904 -8.528 1.00 0.22 C ATOM 439 O GLY A 24 11.203 -3.934 -8.163 1.00 54.41 O ATOM 0 H GLY A 24 10.212 -8.058 -9.180 1.00 63.14 H new ATOM 0 HA2 GLY A 24 11.992 -6.360 -7.943 1.00 33.01 H new ATOM 0 HA3 GLY A 24 11.615 -6.370 -9.654 1.00 33.01 H new ATOM 443 N TYR A 25 9.246 -4.825 -8.826 1.00 11.55 N ATOM 444 CA TYR A 25 8.518 -3.564 -8.741 1.00 42.12 C ATOM 445 C TYR A 25 8.174 -3.229 -7.293 1.00 72.40 C ATOM 446 O TYR A 25 8.145 -2.062 -6.902 1.00 52.12 O ATOM 447 CB TYR A 25 7.240 -3.632 -9.578 1.00 52.14 C ATOM 448 CG TYR A 25 7.447 -3.266 -11.031 1.00 21.41 C ATOM 449 CD1 TYR A 25 6.606 -2.361 -11.667 1.00 31.35 C ATOM 450 CD2 TYR A 25 8.483 -3.827 -11.768 1.00 0.32 C ATOM 451 CE1 TYR A 25 6.791 -2.025 -12.994 1.00 11.24 C ATOM 452 CE2 TYR A 25 8.676 -3.495 -13.095 1.00 4.02 C ATOM 453 CZ TYR A 25 7.828 -2.594 -13.703 1.00 53.22 C ATOM 454 OH TYR A 25 8.016 -2.262 -15.025 1.00 42.13 O ATOM 0 H TYR A 25 8.681 -5.619 -9.128 1.00 11.55 H new ATOM 0 HA TYR A 25 9.161 -2.776 -9.134 1.00 42.12 H new ATOM 0 HB2 TYR A 25 6.832 -4.641 -9.521 1.00 52.14 H new ATOM 0 HB3 TYR A 25 6.497 -2.962 -9.146 1.00 52.14 H new ATOM 0 HD1 TYR A 25 5.794 -1.913 -11.114 1.00 31.35 H new ATOM 0 HD2 TYR A 25 9.148 -4.534 -11.295 1.00 0.32 H new ATOM 0 HE1 TYR A 25 6.127 -1.321 -13.474 1.00 11.24 H new ATOM 0 HE2 TYR A 25 9.487 -3.939 -13.653 1.00 4.02 H new ATOM 0 HH TYR A 25 8.790 -2.749 -15.378 1.00 42.13 H new ATOM 464 N THR A 26 7.914 -4.264 -6.499 1.00 55.24 N ATOM 465 CA THR A 26 7.571 -4.082 -5.095 1.00 14.04 C ATOM 466 C THR A 26 8.817 -3.842 -4.251 1.00 23.21 C ATOM 467 O THR A 26 8.812 -3.016 -3.337 1.00 33.41 O ATOM 468 CB THR A 26 6.815 -5.304 -4.538 1.00 41.51 C ATOM 469 OG1 THR A 26 7.215 -6.487 -5.238 1.00 32.22 O ATOM 470 CG2 THR A 26 5.311 -5.115 -4.668 1.00 42.10 C ATOM 0 H THR A 26 7.935 -5.237 -6.805 1.00 55.24 H new ATOM 0 HA THR A 26 6.924 -3.207 -5.039 1.00 14.04 H new ATOM 0 HB THR A 26 7.062 -5.407 -3.481 1.00 41.51 H new ATOM 0 HG1 THR A 26 8.191 -6.502 -5.324 1.00 32.22 H new ATOM 0 HG21 THR A 26 4.798 -5.990 -4.268 1.00 42.10 H new ATOM 0 HG22 THR A 26 5.006 -4.230 -4.110 1.00 42.10 H new ATOM 0 HG23 THR A 26 5.050 -4.990 -5.719 1.00 42.10 H new ATOM 478 N LEU A 27 9.885 -4.568 -4.563 1.00 4.13 N ATOM 479 CA LEU A 27 11.141 -4.433 -3.833 1.00 24.31 C ATOM 480 C LEU A 27 11.751 -3.052 -4.048 1.00 41.25 C ATOM 481 O LEU A 27 12.441 -2.524 -3.176 1.00 65.23 O ATOM 482 CB LEU A 27 12.129 -5.514 -4.275 1.00 64.04 C ATOM 483 CG LEU A 27 12.622 -6.462 -3.181 1.00 51.22 C ATOM 484 CD1 LEU A 27 13.175 -7.740 -3.792 1.00 21.24 C ATOM 485 CD2 LEU A 27 13.675 -5.781 -2.320 1.00 3.41 C ATOM 0 H LEU A 27 9.907 -5.256 -5.316 1.00 4.13 H new ATOM 0 HA LEU A 27 10.930 -4.555 -2.771 1.00 24.31 H new ATOM 0 HB2 LEU A 27 11.659 -6.109 -5.058 1.00 64.04 H new ATOM 0 HB3 LEU A 27 12.995 -5.026 -4.722 1.00 64.04 H new ATOM 0 HG LEU A 27 11.776 -6.724 -2.545 1.00 51.22 H new ATOM 0 HD11 LEU A 27 13.521 -8.402 -2.999 1.00 21.24 H new ATOM 0 HD12 LEU A 27 12.392 -8.238 -4.365 1.00 21.24 H new ATOM 0 HD13 LEU A 27 14.008 -7.497 -4.451 1.00 21.24 H new ATOM 0 HD21 LEU A 27 14.014 -6.470 -1.547 1.00 3.41 H new ATOM 0 HD22 LEU A 27 14.521 -5.489 -2.942 1.00 3.41 H new ATOM 0 HD23 LEU A 27 13.245 -4.895 -1.853 1.00 3.41 H new ATOM 497 N ARG A 28 11.490 -2.471 -5.215 1.00 15.33 N ATOM 498 CA ARG A 28 12.012 -1.150 -5.544 1.00 54.03 C ATOM 499 C ARG A 28 11.042 -0.057 -5.105 1.00 53.23 C ATOM 500 O ARG A 28 11.457 1.002 -4.633 1.00 73.32 O ATOM 501 CB ARG A 28 12.272 -1.042 -7.048 1.00 1.21 C ATOM 502 CG ARG A 28 12.617 0.366 -7.506 1.00 65.44 C ATOM 503 CD ARG A 28 13.485 0.347 -8.755 1.00 52.43 C ATOM 504 NE ARG A 28 12.743 -0.102 -9.930 1.00 40.24 N ATOM 505 CZ ARG A 28 11.865 0.655 -10.579 1.00 34.05 C ATOM 506 NH1 ARG A 28 11.620 1.892 -10.168 1.00 72.31 N ATOM 507 NH2 ARG A 28 11.229 0.175 -11.640 1.00 42.10 N ATOM 0 H ARG A 28 10.921 -2.894 -5.948 1.00 15.33 H new ATOM 0 HA ARG A 28 12.952 -1.014 -5.008 1.00 54.03 H new ATOM 0 HB2 ARG A 28 13.088 -1.713 -7.316 1.00 1.21 H new ATOM 0 HB3 ARG A 28 11.388 -1.384 -7.587 1.00 1.21 H new ATOM 0 HG2 ARG A 28 11.700 0.920 -7.707 1.00 65.44 H new ATOM 0 HG3 ARG A 28 13.139 0.893 -6.707 1.00 65.44 H new ATOM 0 HD2 ARG A 28 13.881 1.346 -8.936 1.00 52.43 H new ATOM 0 HD3 ARG A 28 14.339 -0.310 -8.593 1.00 52.43 H new ATOM 0 HE ARG A 28 12.908 -1.049 -10.271 1.00 40.24 H new ATOM 0 HH11 ARG A 28 12.106 2.264 -9.352 1.00 72.31 H new ATOM 0 HH12 ARG A 28 10.946 2.471 -10.668 1.00 72.31 H new ATOM 0 HH21 ARG A 28 11.414 -0.776 -11.958 1.00 42.10 H new ATOM 0 HH22 ARG A 28 10.555 0.757 -12.137 1.00 42.10 H new TER 521 ARG A 28