USER MOD reduce.3.24.130724 H: found=0, std=0, add=312, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 313 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 ASN : amide:sc= -0.114 X(o=-0.3,f=-0.061) USER MOD Set 1.2: A 32 GLN : amide:sc= -0.183 X(o=-0.3,f=-0.54) USER MOD Set 2.1: A 8 THR OG1 : rot 180:sc= 0.321 USER MOD Set 2.2: A 11 GLN : amide:sc= -1.63! C(o=-1.3!,f=-7.3!) USER MOD Single : A 4 TYR OH : rot -125:sc= 0.271 USER MOD Single : A 5 SER OG : rot 180:sc= -1.74 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 86:sc= 1.17 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.137) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N ASP A 3 -1.201 8.941 3.979 1.00 0.00 N ATOM 25 CA ASP A 3 -0.050 8.646 4.824 1.00 0.00 C ATOM 26 C ASP A 3 0.811 7.544 4.213 1.00 0.00 C ATOM 27 O ASP A 3 2.023 7.501 4.424 1.00 0.00 O ATOM 28 CB ASP A 3 -0.512 8.230 6.222 1.00 0.00 C ATOM 29 CG ASP A 3 -1.504 7.084 6.185 1.00 0.00 C ATOM 30 OD1 ASP A 3 -1.078 5.939 5.925 1.00 0.00 O ATOM 31 OD2 ASP A 3 -2.706 7.331 6.417 1.00 0.00 O ATOM 0 HA ASP A 3 0.553 9.551 4.900 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.354 7.938 6.816 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.967 9.085 6.721 1.00 0.00 H new ATOM 36 N TYR A 4 0.177 6.653 3.456 1.00 0.00 N ATOM 37 CA TYR A 4 0.884 5.549 2.816 1.00 0.00 C ATOM 38 C TYR A 4 2.019 6.061 1.935 1.00 0.00 C ATOM 39 O TYR A 4 3.148 5.575 2.015 1.00 0.00 O ATOM 40 CB TYR A 4 -0.086 4.712 1.982 1.00 0.00 C ATOM 41 CG TYR A 4 -1.234 4.138 2.782 1.00 0.00 C ATOM 42 CD1 TYR A 4 -1.004 3.225 3.804 1.00 0.00 C ATOM 43 CD2 TYR A 4 -2.545 4.509 2.516 1.00 0.00 C ATOM 44 CE1 TYR A 4 -2.051 2.699 4.538 1.00 0.00 C ATOM 45 CE2 TYR A 4 -3.597 3.988 3.246 1.00 0.00 C ATOM 46 CZ TYR A 4 -3.344 3.084 4.255 1.00 0.00 C ATOM 47 OH TYR A 4 -4.389 2.562 4.985 1.00 0.00 O ATOM 0 H TYR A 4 -0.826 6.674 3.271 1.00 0.00 H new ATOM 0 HA TYR A 4 1.313 4.925 3.600 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.487 5.330 1.178 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.463 3.895 1.513 1.00 0.00 H new ATOM 0 HD1 TYR A 4 0.008 2.922 4.028 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -2.746 5.217 1.725 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.857 1.990 5.329 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.611 4.288 3.027 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.039 2.151 4.378 1.00 0.00 H new ATOM 57 N SER A 5 1.713 7.045 1.096 1.00 0.00 N ATOM 58 CA SER A 5 2.709 7.624 0.201 1.00 0.00 C ATOM 59 C SER A 5 3.884 8.199 0.986 1.00 0.00 C ATOM 60 O SER A 5 4.999 8.294 0.473 1.00 0.00 O ATOM 61 CB SER A 5 2.075 8.715 -0.663 1.00 0.00 C ATOM 62 OG SER A 5 1.669 8.200 -1.920 1.00 0.00 O ATOM 0 H SER A 5 0.784 7.458 1.017 1.00 0.00 H new ATOM 0 HA SER A 5 3.084 6.829 -0.444 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.215 9.139 -0.145 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.788 9.526 -0.812 1.00 0.00 H new ATOM 0 HG SER A 5 1.265 8.917 -2.452 1.00 0.00 H new ATOM 68 N SER A 6 3.628 8.584 2.233 1.00 0.00 N ATOM 69 CA SER A 6 4.666 9.150 3.086 1.00 0.00 C ATOM 70 C SER A 6 5.575 8.059 3.648 1.00 0.00 C ATOM 71 O SER A 6 6.703 8.333 4.057 1.00 0.00 O ATOM 72 CB SER A 6 4.034 9.943 4.233 1.00 0.00 C ATOM 73 OG SER A 6 3.806 11.290 3.855 1.00 0.00 O ATOM 0 H SER A 6 2.711 8.514 2.674 1.00 0.00 H new ATOM 0 HA SER A 6 5.273 9.820 2.476 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.092 9.479 4.525 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.688 9.912 5.105 1.00 0.00 H new ATOM 0 HG SER A 6 3.400 11.776 4.603 1.00 0.00 H new ATOM 79 N LEU A 7 5.080 6.825 3.668 1.00 0.00 N ATOM 80 CA LEU A 7 5.856 5.701 4.183 1.00 0.00 C ATOM 81 C LEU A 7 6.859 5.211 3.145 1.00 0.00 C ATOM 82 O LEU A 7 6.672 5.407 1.944 1.00 0.00 O ATOM 83 CB LEU A 7 4.932 4.551 4.593 1.00 0.00 C ATOM 84 CG LEU A 7 3.591 4.976 5.196 1.00 0.00 C ATOM 85 CD1 LEU A 7 2.792 3.758 5.632 1.00 0.00 C ATOM 86 CD2 LEU A 7 3.810 5.919 6.369 1.00 0.00 C ATOM 0 H LEU A 7 4.148 6.578 3.335 1.00 0.00 H new ATOM 0 HA LEU A 7 6.402 6.047 5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.738 3.932 3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.456 3.926 5.316 1.00 0.00 H new ATOM 0 HG LEU A 7 3.021 5.504 4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.842 4.080 6.058 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.605 3.118 4.770 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.356 3.202 6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.846 6.211 6.786 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.399 5.416 7.136 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.342 6.807 6.028 1.00 0.00 H new ATOM 98 N THR A 8 7.921 4.568 3.618 1.00 0.00 N ATOM 99 CA THR A 8 8.956 4.043 2.735 1.00 0.00 C ATOM 100 C THR A 8 8.461 2.799 2.009 1.00 0.00 C ATOM 101 O THR A 8 7.412 2.250 2.345 1.00 0.00 O ATOM 102 CB THR A 8 10.215 3.706 3.534 1.00 0.00 C ATOM 103 OG1 THR A 8 10.058 2.471 4.213 1.00 0.00 O ATOM 104 CG2 THR A 8 10.574 4.755 4.563 1.00 0.00 C ATOM 0 H THR A 8 8.088 4.398 4.610 1.00 0.00 H new ATOM 0 HA THR A 8 9.195 4.809 1.998 1.00 0.00 H new ATOM 0 HB THR A 8 11.019 3.656 2.800 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.873 2.269 4.718 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.477 4.451 5.093 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.749 5.709 4.065 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.755 4.862 5.274 1.00 0.00 H new ATOM 112 N VAL A 9 9.226 2.349 1.019 1.00 0.00 N ATOM 113 CA VAL A 9 8.862 1.160 0.261 1.00 0.00 C ATOM 114 C VAL A 9 8.777 -0.050 1.183 1.00 0.00 C ATOM 115 O VAL A 9 7.857 -0.861 1.078 1.00 0.00 O ATOM 116 CB VAL A 9 9.873 0.873 -0.866 1.00 0.00 C ATOM 117 CG1 VAL A 9 9.418 -0.309 -1.707 1.00 0.00 C ATOM 118 CG2 VAL A 9 10.070 2.109 -1.732 1.00 0.00 C ATOM 0 H VAL A 9 10.098 2.789 0.725 1.00 0.00 H new ATOM 0 HA VAL A 9 7.888 1.348 -0.191 1.00 0.00 H new ATOM 0 HB VAL A 9 10.831 0.617 -0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.146 -0.495 -2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.334 -1.194 -1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.448 -0.087 -2.152 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.787 1.889 -2.523 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.117 2.398 -2.176 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.447 2.927 -1.118 1.00 0.00 H new ATOM 128 N VAL A 10 9.738 -0.157 2.095 1.00 0.00 N ATOM 129 CA VAL A 10 9.766 -1.257 3.046 1.00 0.00 C ATOM 130 C VAL A 10 8.564 -1.184 3.979 1.00 0.00 C ATOM 131 O VAL A 10 7.953 -2.202 4.306 1.00 0.00 O ATOM 132 CB VAL A 10 11.058 -1.249 3.885 1.00 0.00 C ATOM 133 CG1 VAL A 10 11.133 -2.487 4.767 1.00 0.00 C ATOM 134 CG2 VAL A 10 12.281 -1.155 2.985 1.00 0.00 C ATOM 0 H VAL A 10 10.507 0.506 2.194 1.00 0.00 H new ATOM 0 HA VAL A 10 9.731 -2.182 2.471 1.00 0.00 H new ATOM 0 HB VAL A 10 11.041 -0.371 4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.053 -2.462 5.351 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.276 -2.507 5.440 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.124 -3.380 4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.183 -1.151 3.597 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.303 -2.011 2.311 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.234 -0.235 2.402 1.00 0.00 H new ATOM 144 N GLN A 11 8.222 0.032 4.395 1.00 0.00 N ATOM 145 CA GLN A 11 7.085 0.242 5.281 1.00 0.00 C ATOM 146 C GLN A 11 5.788 -0.116 4.566 1.00 0.00 C ATOM 147 O GLN A 11 4.939 -0.824 5.111 1.00 0.00 O ATOM 148 CB GLN A 11 7.039 1.696 5.755 1.00 0.00 C ATOM 149 CG GLN A 11 7.789 1.936 7.054 1.00 0.00 C ATOM 150 CD GLN A 11 7.898 3.408 7.401 1.00 0.00 C ATOM 151 OE1 GLN A 11 8.280 4.228 6.566 1.00 0.00 O ATOM 152 NE2 GLN A 11 7.563 3.751 8.641 1.00 0.00 N ATOM 0 H GLN A 11 8.716 0.885 4.132 1.00 0.00 H new ATOM 0 HA GLN A 11 7.199 -0.405 6.151 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.459 2.336 4.979 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.999 1.994 5.885 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.282 1.412 7.864 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.789 1.510 6.976 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.251 3.038 9.301 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.617 4.727 8.933 1.00 0.00 H new ATOM 161 N LEU A 12 5.645 0.372 3.338 1.00 0.00 N ATOM 162 CA LEU A 12 4.458 0.099 2.540 1.00 0.00 C ATOM 163 C LEU A 12 4.323 -1.395 2.274 1.00 0.00 C ATOM 164 O LEU A 12 3.221 -1.943 2.291 1.00 0.00 O ATOM 165 CB LEU A 12 4.526 0.861 1.217 1.00 0.00 C ATOM 166 CG LEU A 12 3.976 2.288 1.262 1.00 0.00 C ATOM 167 CD1 LEU A 12 4.477 3.091 0.073 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.455 2.270 1.294 1.00 0.00 C ATOM 0 H LEU A 12 6.338 0.959 2.874 1.00 0.00 H new ATOM 0 HA LEU A 12 3.583 0.433 3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.565 0.899 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.975 0.299 0.463 1.00 0.00 H new ATOM 0 HG LEU A 12 4.334 2.767 2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.075 4.103 0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.566 3.131 0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.149 2.615 -0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.080 3.293 1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.078 1.773 0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.116 1.731 2.179 1.00 0.00 H new ATOM 180 N LYS A 13 5.455 -2.050 2.030 1.00 0.00 N ATOM 181 CA LYS A 13 5.467 -3.483 1.762 1.00 0.00 C ATOM 182 C LYS A 13 4.984 -4.263 2.980 1.00 0.00 C ATOM 183 O LYS A 13 4.211 -5.213 2.853 1.00 0.00 O ATOM 184 CB LYS A 13 6.874 -3.939 1.371 1.00 0.00 C ATOM 185 CG LYS A 13 7.085 -4.042 -0.131 1.00 0.00 C ATOM 186 CD LYS A 13 8.554 -3.903 -0.499 1.00 0.00 C ATOM 187 CE LYS A 13 8.984 -4.968 -1.496 1.00 0.00 C ATOM 188 NZ LYS A 13 9.512 -6.183 -0.817 1.00 0.00 N ATOM 0 H LYS A 13 6.375 -1.610 2.013 1.00 0.00 H new ATOM 0 HA LYS A 13 4.788 -3.681 0.932 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.601 -3.240 1.785 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.071 -4.910 1.825 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.709 -5.001 -0.487 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.508 -3.266 -0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.732 -2.914 -0.922 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.164 -3.979 0.401 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.135 -5.242 -2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.749 -4.560 -2.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.794 -6.885 -1.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.337 -5.926 -0.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.774 -6.588 -0.206 1.00 0.00 H new ATOM 202 N ASP A 14 5.440 -3.853 4.159 1.00 0.00 N ATOM 203 CA ASP A 14 5.048 -4.513 5.398 1.00 0.00 C ATOM 204 C ASP A 14 3.546 -4.380 5.616 1.00 0.00 C ATOM 205 O ASP A 14 2.875 -5.341 5.993 1.00 0.00 O ATOM 206 CB ASP A 14 5.806 -3.912 6.583 1.00 0.00 C ATOM 207 CG ASP A 14 6.982 -4.769 7.011 1.00 0.00 C ATOM 208 OD1 ASP A 14 6.749 -5.867 7.558 1.00 0.00 O ATOM 209 OD2 ASP A 14 8.136 -4.341 6.800 1.00 0.00 O ATOM 0 H ASP A 14 6.080 -3.068 4.282 1.00 0.00 H new ATOM 0 HA ASP A 14 5.299 -5.571 5.321 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.163 -2.917 6.316 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.123 -3.791 7.424 1.00 0.00 H new ATOM 214 N LEU A 15 3.025 -3.184 5.366 1.00 0.00 N ATOM 215 CA LEU A 15 1.601 -2.924 5.525 1.00 0.00 C ATOM 216 C LEU A 15 0.791 -3.784 4.565 1.00 0.00 C ATOM 217 O LEU A 15 -0.203 -4.400 4.952 1.00 0.00 O ATOM 218 CB LEU A 15 1.304 -1.442 5.287 1.00 0.00 C ATOM 219 CG LEU A 15 1.334 -0.565 6.539 1.00 0.00 C ATOM 220 CD1 LEU A 15 1.086 0.891 6.177 1.00 0.00 C ATOM 221 CD2 LEU A 15 0.306 -1.046 7.553 1.00 0.00 C ATOM 0 H LEU A 15 3.568 -2.380 5.052 1.00 0.00 H new ATOM 0 HA LEU A 15 1.314 -3.180 6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.029 -1.052 4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.321 -1.354 4.824 1.00 0.00 H new ATOM 0 HG LEU A 15 2.323 -0.643 6.989 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.111 1.500 7.081 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.859 1.232 5.488 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.110 0.987 5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.342 -0.410 8.437 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.690 -0.999 7.112 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.529 -2.075 7.837 1.00 0.00 H new ATOM 233 N LEU A 16 1.230 -3.827 3.314 1.00 0.00 N ATOM 234 CA LEU A 16 0.556 -4.620 2.298 1.00 0.00 C ATOM 235 C LEU A 16 0.612 -6.097 2.662 1.00 0.00 C ATOM 236 O LEU A 16 -0.361 -6.830 2.485 1.00 0.00 O ATOM 237 CB LEU A 16 1.205 -4.387 0.934 1.00 0.00 C ATOM 238 CG LEU A 16 0.792 -3.088 0.234 1.00 0.00 C ATOM 239 CD1 LEU A 16 2.017 -2.276 -0.166 1.00 0.00 C ATOM 240 CD2 LEU A 16 -0.072 -3.388 -0.984 1.00 0.00 C ATOM 0 H LEU A 16 2.050 -3.321 2.980 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.488 -4.312 2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.288 -4.386 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.960 -5.227 0.283 1.00 0.00 H new ATOM 0 HG LEU A 16 0.205 -2.495 0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.699 -1.358 -0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.595 -2.027 0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.635 -2.861 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.356 -2.453 -1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.490 -4.004 -1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.970 -3.921 -0.671 1.00 0.00 H new ATOM 252 N THR A 17 1.754 -6.526 3.188 1.00 0.00 N ATOM 253 CA THR A 17 1.931 -7.915 3.591 1.00 0.00 C ATOM 254 C THR A 17 0.893 -8.294 4.639 1.00 0.00 C ATOM 255 O THR A 17 0.280 -9.358 4.567 1.00 0.00 O ATOM 256 CB THR A 17 3.340 -8.132 4.144 1.00 0.00 C ATOM 257 OG1 THR A 17 4.315 -7.676 3.224 1.00 0.00 O ATOM 258 CG2 THR A 17 3.646 -9.581 4.455 1.00 0.00 C ATOM 0 H THR A 17 2.569 -5.933 3.345 1.00 0.00 H new ATOM 0 HA THR A 17 1.797 -8.551 2.716 1.00 0.00 H new ATOM 0 HB THR A 17 3.375 -7.563 5.073 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.465 -6.716 3.355 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.661 -9.663 4.843 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.941 -9.950 5.200 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.556 -10.175 3.546 1.00 0.00 H new ATOM 266 N LYS A 18 0.696 -7.405 5.605 1.00 0.00 N ATOM 267 CA LYS A 18 -0.276 -7.631 6.665 1.00 0.00 C ATOM 268 C LYS A 18 -1.697 -7.589 6.111 1.00 0.00 C ATOM 269 O LYS A 18 -2.592 -8.266 6.617 1.00 0.00 O ATOM 270 CB LYS A 18 -0.114 -6.583 7.768 1.00 0.00 C ATOM 271 CG LYS A 18 1.190 -6.708 8.540 1.00 0.00 C ATOM 272 CD LYS A 18 1.412 -5.515 9.455 1.00 0.00 C ATOM 273 CE LYS A 18 2.688 -5.666 10.266 1.00 0.00 C ATOM 274 NZ LYS A 18 2.858 -4.556 11.245 1.00 0.00 N ATOM 0 H LYS A 18 1.198 -6.520 5.675 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.096 -8.620 7.087 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.170 -5.589 7.324 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.948 -6.669 8.464 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.178 -7.624 9.131 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.022 -6.791 7.840 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.463 -4.603 8.860 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.562 -5.408 10.129 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.671 -6.618 10.796 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.545 -5.691 9.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.740 -4.696 11.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.900 -3.649 10.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.053 -4.547 11.903 1.00 0.00 H new ATOM 288 N ARG A 19 -1.896 -6.784 5.070 1.00 0.00 N ATOM 289 CA ARG A 19 -3.209 -6.650 4.446 1.00 0.00 C ATOM 290 C ARG A 19 -3.411 -7.678 3.330 1.00 0.00 C ATOM 291 O ARG A 19 -4.493 -7.767 2.750 1.00 0.00 O ATOM 292 CB ARG A 19 -3.381 -5.234 3.889 1.00 0.00 C ATOM 293 CG ARG A 19 -4.298 -4.358 4.726 1.00 0.00 C ATOM 294 CD ARG A 19 -3.506 -3.437 5.642 1.00 0.00 C ATOM 295 NE ARG A 19 -4.169 -2.149 5.830 1.00 0.00 N ATOM 296 CZ ARG A 19 -5.191 -1.955 6.661 1.00 0.00 C ATOM 297 NH1 ARG A 19 -5.670 -2.961 7.382 1.00 0.00 N ATOM 298 NH2 ARG A 19 -5.735 -0.751 6.772 1.00 0.00 N ATOM 0 H ARG A 19 -1.166 -6.215 4.642 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.963 -6.836 5.211 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.403 -4.759 3.819 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.778 -5.297 2.876 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.933 -3.762 4.070 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.958 -4.987 5.323 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.369 -3.919 6.610 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.513 -3.276 5.223 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.829 -1.351 5.293 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.255 -3.889 7.301 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.453 -2.806 8.017 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.371 0.026 6.221 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.518 -0.602 7.408 1.00 0.00 H new ATOM 312 N ASN A 20 -2.369 -8.451 3.033 1.00 0.00 N ATOM 313 CA ASN A 20 -2.443 -9.467 1.988 1.00 0.00 C ATOM 314 C ASN A 20 -2.652 -8.825 0.620 1.00 0.00 C ATOM 315 O ASN A 20 -3.467 -9.288 -0.179 1.00 0.00 O ATOM 316 CB ASN A 20 -3.570 -10.459 2.286 1.00 0.00 C ATOM 317 CG ASN A 20 -3.073 -11.702 2.997 1.00 0.00 C ATOM 318 OD1 ASN A 20 -3.263 -11.861 4.202 1.00 0.00 O ATOM 319 ND2 ASN A 20 -2.430 -12.593 2.250 1.00 0.00 N ATOM 0 H ASN A 20 -1.465 -8.393 3.501 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.496 -10.007 1.972 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -4.327 -9.971 2.900 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.053 -10.747 1.352 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.072 -13.449 2.673 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.295 -12.421 1.254 1.00 0.00 H new ATOM 326 N LEU A 21 -1.911 -7.754 0.355 1.00 0.00 N ATOM 327 CA LEU A 21 -2.013 -7.047 -0.915 1.00 0.00 C ATOM 328 C LEU A 21 -0.772 -7.284 -1.771 1.00 0.00 C ATOM 329 O LEU A 21 0.273 -7.691 -1.266 1.00 0.00 O ATOM 330 CB LEU A 21 -2.202 -5.548 -0.674 1.00 0.00 C ATOM 331 CG LEU A 21 -3.563 -5.150 -0.102 1.00 0.00 C ATOM 332 CD1 LEU A 21 -3.571 -3.679 0.282 1.00 0.00 C ATOM 333 CD2 LEU A 21 -4.669 -5.447 -1.103 1.00 0.00 C ATOM 0 H LEU A 21 -1.232 -7.357 1.005 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.880 -7.434 -1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.424 -5.204 0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.054 -5.022 -1.617 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.745 -5.740 0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.548 -3.414 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.804 -3.495 1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.367 -3.072 -0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.631 -5.158 -0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.492 -4.883 -2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.678 -6.513 -1.329 1.00 0.00 H new ATOM 345 N SER A 22 -0.896 -7.026 -3.069 1.00 0.00 N ATOM 346 CA SER A 22 0.215 -7.210 -3.995 1.00 0.00 C ATOM 347 C SER A 22 1.282 -6.140 -3.787 1.00 0.00 C ATOM 348 O SER A 22 0.999 -4.945 -3.868 1.00 0.00 O ATOM 349 CB SER A 22 -0.286 -7.175 -5.440 1.00 0.00 C ATOM 350 OG SER A 22 0.682 -7.705 -6.330 1.00 0.00 O ATOM 0 H SER A 22 -1.755 -6.689 -3.503 1.00 0.00 H new ATOM 0 HA SER A 22 0.662 -8.184 -3.797 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.211 -7.747 -5.521 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.520 -6.148 -5.722 1.00 0.00 H new ATOM 0 HG SER A 22 0.336 -7.673 -7.246 1.00 0.00 H new ATOM 356 N VAL A 23 2.508 -6.577 -3.519 1.00 0.00 N ATOM 357 CA VAL A 23 3.617 -5.655 -3.298 1.00 0.00 C ATOM 358 C VAL A 23 4.567 -5.630 -4.493 1.00 0.00 C ATOM 359 O VAL A 23 5.716 -5.206 -4.371 1.00 0.00 O ATOM 360 CB VAL A 23 4.412 -6.029 -2.034 1.00 0.00 C ATOM 361 CG1 VAL A 23 3.589 -5.757 -0.784 1.00 0.00 C ATOM 362 CG2 VAL A 23 4.846 -7.486 -2.089 1.00 0.00 C ATOM 0 H VAL A 23 2.759 -7.563 -3.450 1.00 0.00 H new ATOM 0 HA VAL A 23 3.180 -4.665 -3.168 1.00 0.00 H new ATOM 0 HB VAL A 23 5.307 -5.408 -1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.168 -6.028 0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.334 -4.698 -0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.675 -6.350 -0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.407 -7.733 -1.187 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.966 -8.126 -2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.477 -7.645 -2.964 1.00 0.00 H new ATOM 372 N GLY A 24 4.085 -6.087 -5.646 1.00 0.00 N ATOM 373 CA GLY A 24 4.912 -6.106 -6.838 1.00 0.00 C ATOM 374 C GLY A 24 4.903 -4.781 -7.577 1.00 0.00 C ATOM 375 O GLY A 24 5.866 -4.441 -8.266 1.00 0.00 O ATOM 0 H GLY A 24 3.138 -6.444 -5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.936 -6.356 -6.561 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.561 -6.893 -7.506 1.00 0.00 H new ATOM 379 N GLY A 25 3.815 -4.031 -7.433 1.00 0.00 N ATOM 380 CA GLY A 25 3.709 -2.745 -8.099 1.00 0.00 C ATOM 381 C GLY A 25 4.643 -1.706 -7.511 1.00 0.00 C ATOM 382 O GLY A 25 5.210 -1.908 -6.437 1.00 0.00 O ATOM 0 H GLY A 25 3.006 -4.290 -6.868 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.931 -2.869 -9.159 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.682 -2.387 -8.028 1.00 0.00 H new ATOM 386 N LEU A 26 4.804 -0.590 -8.216 1.00 0.00 N ATOM 387 CA LEU A 26 5.674 0.486 -7.756 1.00 0.00 C ATOM 388 C LEU A 26 5.101 1.149 -6.509 1.00 0.00 C ATOM 389 O LEU A 26 3.944 0.925 -6.152 1.00 0.00 O ATOM 390 CB LEU A 26 5.863 1.526 -8.862 1.00 0.00 C ATOM 391 CG LEU A 26 6.674 1.049 -10.068 1.00 0.00 C ATOM 392 CD1 LEU A 26 6.230 1.774 -11.329 1.00 0.00 C ATOM 393 CD2 LEU A 26 8.161 1.260 -9.827 1.00 0.00 C ATOM 0 H LEU A 26 4.343 -0.408 -9.108 1.00 0.00 H new ATOM 0 HA LEU A 26 6.643 0.056 -7.505 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.881 1.848 -9.208 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.354 2.401 -8.437 1.00 0.00 H new ATOM 0 HG LEU A 26 6.495 -0.018 -10.203 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.818 1.422 -12.177 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.174 1.574 -11.511 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.380 2.846 -11.204 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.723 0.915 -10.695 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.357 2.320 -9.666 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.471 0.696 -8.947 1.00 0.00 H new ATOM 405 N LYS A 27 5.915 1.968 -5.847 1.00 0.00 N ATOM 406 CA LYS A 27 5.488 2.662 -4.635 1.00 0.00 C ATOM 407 C LYS A 27 4.128 3.328 -4.830 1.00 0.00 C ATOM 408 O LYS A 27 3.272 3.282 -3.946 1.00 0.00 O ATOM 409 CB LYS A 27 6.526 3.710 -4.229 1.00 0.00 C ATOM 410 CG LYS A 27 6.660 3.884 -2.725 1.00 0.00 C ATOM 411 CD LYS A 27 7.588 5.036 -2.376 1.00 0.00 C ATOM 412 CE LYS A 27 8.165 4.883 -0.979 1.00 0.00 C ATOM 413 NZ LYS A 27 9.316 5.799 -0.748 1.00 0.00 N ATOM 0 H LYS A 27 6.875 2.167 -6.130 1.00 0.00 H new ATOM 0 HA LYS A 27 5.396 1.921 -3.841 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.495 3.428 -4.641 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.256 4.668 -4.674 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.677 4.063 -2.290 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.041 2.963 -2.284 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.399 5.084 -3.102 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.043 5.977 -2.444 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.388 5.084 -0.242 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.486 3.852 -0.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.884 5.448 0.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.906 5.838 -1.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.963 6.752 -0.528 1.00 0.00 H new ATOM 427 N ASN A 28 3.935 3.940 -5.993 1.00 0.00 N ATOM 428 CA ASN A 28 2.677 4.609 -6.302 1.00 0.00 C ATOM 429 C ASN A 28 1.539 3.600 -6.404 1.00 0.00 C ATOM 430 O ASN A 28 0.404 3.884 -6.015 1.00 0.00 O ATOM 431 CB ASN A 28 2.800 5.392 -7.611 1.00 0.00 C ATOM 432 CG ASN A 28 1.856 6.577 -7.666 1.00 0.00 C ATOM 433 OD1 ASN A 28 2.228 7.698 -7.321 1.00 0.00 O ATOM 434 ND2 ASN A 28 0.627 6.333 -8.104 1.00 0.00 N ATOM 0 H ASN A 28 4.632 3.987 -6.736 1.00 0.00 H new ATOM 0 HA ASN A 28 2.453 5.303 -5.492 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.826 5.742 -7.727 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.594 4.727 -8.450 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.053 7.091 -8.165 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.362 5.387 -8.380 1.00 0.00 H new ATOM 441 N GLU A 29 1.851 2.415 -6.921 1.00 0.00 N ATOM 442 CA GLU A 29 0.857 1.360 -7.067 1.00 0.00 C ATOM 443 C GLU A 29 0.466 0.812 -5.702 1.00 0.00 C ATOM 444 O GLU A 29 -0.691 0.463 -5.466 1.00 0.00 O ATOM 445 CB GLU A 29 1.402 0.233 -7.948 1.00 0.00 C ATOM 446 CG GLU A 29 1.066 0.398 -9.421 1.00 0.00 C ATOM 447 CD GLU A 29 -0.168 -0.383 -9.829 1.00 0.00 C ATOM 448 OE1 GLU A 29 -0.051 -1.607 -10.047 1.00 0.00 O ATOM 449 OE2 GLU A 29 -1.252 0.230 -9.930 1.00 0.00 O ATOM 0 H GLU A 29 2.785 2.163 -7.245 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.028 1.781 -7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.485 0.185 -7.834 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.002 -0.718 -7.597 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.911 1.455 -9.638 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.914 0.070 -10.022 1.00 0.00 H new ATOM 456 N LEU A 30 1.443 0.745 -4.806 1.00 0.00 N ATOM 457 CA LEU A 30 1.214 0.246 -3.459 1.00 0.00 C ATOM 458 C LEU A 30 0.281 1.178 -2.693 1.00 0.00 C ATOM 459 O LEU A 30 -0.680 0.733 -2.066 1.00 0.00 O ATOM 460 CB LEU A 30 2.544 0.110 -2.716 1.00 0.00 C ATOM 461 CG LEU A 30 3.591 -0.761 -3.414 1.00 0.00 C ATOM 462 CD1 LEU A 30 4.924 -0.676 -2.688 1.00 0.00 C ATOM 463 CD2 LEU A 30 3.117 -2.204 -3.495 1.00 0.00 C ATOM 0 H LEU A 30 2.404 1.032 -4.991 1.00 0.00 H new ATOM 0 HA LEU A 30 0.743 -0.735 -3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.963 1.105 -2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.349 -0.305 -1.727 1.00 0.00 H new ATOM 0 HG LEU A 30 3.728 -0.388 -4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.657 -1.301 -3.198 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.270 0.358 -2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.802 -1.023 -1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.874 -2.808 -3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.951 -2.589 -2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.186 -2.250 -4.060 1.00 0.00 H new ATOM 475 N VAL A 31 0.571 2.474 -2.752 1.00 0.00 N ATOM 476 CA VAL A 31 -0.243 3.468 -2.068 1.00 0.00 C ATOM 477 C VAL A 31 -1.667 3.467 -2.607 1.00 0.00 C ATOM 478 O VAL A 31 -2.632 3.485 -1.845 1.00 0.00 O ATOM 479 CB VAL A 31 0.351 4.883 -2.213 1.00 0.00 C ATOM 480 CG1 VAL A 31 -0.434 5.884 -1.378 1.00 0.00 C ATOM 481 CG2 VAL A 31 1.822 4.889 -1.821 1.00 0.00 C ATOM 0 H VAL A 31 1.363 2.858 -3.267 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.254 3.198 -1.012 1.00 0.00 H new ATOM 0 HB VAL A 31 0.275 5.181 -3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.002 6.876 -1.495 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.471 5.902 -1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.395 5.592 -0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.223 5.896 -1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.924 4.568 -0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.374 4.207 -2.468 1.00 0.00 H new ATOM 491 N GLN A 32 -1.787 3.442 -3.928 1.00 0.00 N ATOM 492 CA GLN A 32 -3.092 3.434 -4.577 1.00 0.00 C ATOM 493 C GLN A 32 -3.868 2.171 -4.215 1.00 0.00 C ATOM 494 O GLN A 32 -5.092 2.200 -4.087 1.00 0.00 O ATOM 495 CB GLN A 32 -2.933 3.532 -6.096 1.00 0.00 C ATOM 496 CG GLN A 32 -2.859 4.961 -6.609 1.00 0.00 C ATOM 497 CD GLN A 32 -3.371 5.096 -8.030 1.00 0.00 C ATOM 498 OE1 GLN A 32 -4.412 4.542 -8.383 1.00 0.00 O ATOM 499 NE2 GLN A 32 -2.639 5.836 -8.854 1.00 0.00 N ATOM 0 H GLN A 32 -0.996 3.427 -4.572 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.652 4.299 -4.223 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -2.029 3.001 -6.393 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.772 3.026 -6.574 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.441 5.609 -5.954 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.826 5.307 -6.564 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.783 6.277 -8.519 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.933 5.963 -9.822 1.00 0.00 H new ATOM 508 N ARG A 33 -3.149 1.064 -4.049 1.00 0.00 N ATOM 509 CA ARG A 33 -3.780 -0.203 -3.698 1.00 0.00 C ATOM 510 C ARG A 33 -4.389 -0.124 -2.304 1.00 0.00 C ATOM 511 O ARG A 33 -5.528 -0.537 -2.090 1.00 0.00 O ATOM 512 CB ARG A 33 -2.762 -1.343 -3.761 1.00 0.00 C ATOM 513 CG ARG A 33 -3.347 -2.652 -4.263 1.00 0.00 C ATOM 514 CD ARG A 33 -2.285 -3.733 -4.370 1.00 0.00 C ATOM 515 NE ARG A 33 -2.504 -4.606 -5.521 1.00 0.00 N ATOM 516 CZ ARG A 33 -2.217 -4.267 -6.775 1.00 0.00 C ATOM 517 NH1 ARG A 33 -1.698 -3.075 -7.045 1.00 0.00 N ATOM 518 NH2 ARG A 33 -2.448 -5.121 -7.763 1.00 0.00 N ATOM 0 H ARG A 33 -2.135 1.019 -4.151 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.574 -0.402 -4.418 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.939 -1.049 -4.412 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.342 -1.499 -2.767 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.136 -2.982 -3.587 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.807 -2.495 -5.238 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.302 -3.268 -4.450 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.283 -4.330 -3.458 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.901 -5.531 -5.353 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.518 -2.414 -6.289 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.480 -2.820 -8.008 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.846 -6.038 -7.562 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.228 -4.860 -8.724 1.00 0.00 H new ATOM 532 N LEU A 34 -3.629 0.426 -1.363 1.00 0.00 N ATOM 533 CA LEU A 34 -4.104 0.576 0.006 1.00 0.00 C ATOM 534 C LEU A 34 -5.242 1.589 0.054 1.00 0.00 C ATOM 535 O LEU A 34 -6.207 1.425 0.799 1.00 0.00 O ATOM 536 CB LEU A 34 -2.962 1.023 0.922 1.00 0.00 C ATOM 537 CG LEU A 34 -2.021 -0.093 1.373 1.00 0.00 C ATOM 538 CD1 LEU A 34 -0.635 0.462 1.664 1.00 0.00 C ATOM 539 CD2 LEU A 34 -2.581 -0.799 2.598 1.00 0.00 C ATOM 0 H LEU A 34 -2.684 0.774 -1.523 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.472 -0.388 0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.377 1.783 0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.389 1.497 1.806 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.937 -0.820 0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.021 -0.347 1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.231 0.922 0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.701 1.209 2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.898 -1.591 2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.695 -0.082 3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.552 -1.231 2.357 1.00 0.00 H new ATOM 551 N ILE A 35 -5.115 2.634 -0.756 1.00 0.00 N ATOM 552 CA ILE A 35 -6.122 3.682 -0.828 1.00 0.00 C ATOM 553 C ILE A 35 -7.430 3.138 -1.401 1.00 0.00 C ATOM 554 O ILE A 35 -8.514 3.462 -0.917 1.00 0.00 O ATOM 555 CB ILE A 35 -5.625 4.865 -1.692 1.00 0.00 C ATOM 556 CG1 ILE A 35 -4.536 5.641 -0.946 1.00 0.00 C ATOM 557 CG2 ILE A 35 -6.771 5.793 -2.073 1.00 0.00 C ATOM 558 CD1 ILE A 35 -3.870 6.707 -1.788 1.00 0.00 C ATOM 0 H ILE A 35 -4.318 2.777 -1.376 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.302 4.039 0.186 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.206 4.459 -2.612 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.973 6.107 -0.063 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.778 4.941 -0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.388 6.614 -2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.515 5.237 -2.643 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.231 6.193 -1.169 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.110 7.216 -1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.403 6.245 -2.658 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.617 7.429 -2.118 1.00 0.00 H new ATOM 570 N LYS A 36 -7.318 2.308 -2.434 1.00 0.00 N ATOM 571 CA LYS A 36 -8.490 1.720 -3.070 1.00 0.00 C ATOM 572 C LYS A 36 -9.208 0.769 -2.116 1.00 0.00 C ATOM 573 O LYS A 36 -10.428 0.825 -1.970 1.00 0.00 O ATOM 574 CB LYS A 36 -8.084 0.975 -4.345 1.00 0.00 C ATOM 575 CG LYS A 36 -9.001 1.248 -5.526 1.00 0.00 C ATOM 576 CD LYS A 36 -8.520 2.439 -6.340 1.00 0.00 C ATOM 577 CE LYS A 36 -9.194 2.491 -7.701 1.00 0.00 C ATOM 578 NZ LYS A 36 -8.488 3.410 -8.637 1.00 0.00 N ATOM 0 H LYS A 36 -6.428 2.028 -2.847 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.175 2.527 -3.332 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.066 1.258 -4.613 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.074 -0.096 -4.143 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.048 0.365 -6.164 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.013 1.436 -5.167 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.726 3.360 -5.795 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.439 2.380 -6.470 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.224 1.489 -8.130 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.227 2.818 -7.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.979 3.417 -9.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.481 4.371 -8.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.509 3.084 -8.771 1.00 0.00 H new ATOM 592 N ASP A 37 -8.440 -0.101 -1.468 1.00 0.00 N ATOM 593 CA ASP A 37 -9.002 -1.063 -0.528 1.00 0.00 C ATOM 594 C ASP A 37 -9.645 -0.351 0.658 1.00 0.00 C ATOM 595 O ASP A 37 -10.681 -0.781 1.166 1.00 0.00 O ATOM 596 CB ASP A 37 -7.915 -2.020 -0.034 1.00 0.00 C ATOM 597 CG ASP A 37 -8.490 -3.241 0.657 1.00 0.00 C ATOM 598 OD1 ASP A 37 -9.468 -3.814 0.133 1.00 0.00 O ATOM 599 OD2 ASP A 37 -7.962 -3.624 1.722 1.00 0.00 O ATOM 0 H ASP A 37 -7.427 -0.159 -1.577 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.771 -1.635 -1.047 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.304 -2.338 -0.879 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.256 -1.492 0.656 1.00 0.00 H new ATOM 604 N ASP A 38 -9.023 0.739 1.094 1.00 0.00 N ATOM 605 CA ASP A 38 -9.535 1.512 2.220 1.00 0.00 C ATOM 606 C ASP A 38 -10.807 2.258 1.834 1.00 0.00 C ATOM 607 O ASP A 38 -11.760 2.327 2.611 1.00 0.00 O ATOM 608 CB ASP A 38 -8.476 2.503 2.709 1.00 0.00 C ATOM 609 CG ASP A 38 -7.649 1.946 3.852 1.00 0.00 C ATOM 610 OD1 ASP A 38 -7.921 2.312 5.014 1.00 0.00 O ATOM 611 OD2 ASP A 38 -6.728 1.146 3.584 1.00 0.00 O ATOM 0 H ASP A 38 -8.164 1.107 0.685 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.773 0.818 3.026 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.817 2.765 1.881 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.964 3.423 3.031 1.00 0.00 H new ATOM 616 N GLU A 39 -10.815 2.813 0.629 1.00 0.00 N ATOM 617 CA GLU A 39 -11.969 3.556 0.136 1.00 0.00 C ATOM 618 C GLU A 39 -13.130 2.616 -0.171 1.00 0.00 C ATOM 619 O GLU A 39 -14.292 2.953 0.054 1.00 0.00 O ATOM 620 CB GLU A 39 -11.594 4.350 -1.117 1.00 0.00 C ATOM 621 CG GLU A 39 -11.100 5.757 -0.820 1.00 0.00 C ATOM 622 CD GLU A 39 -10.700 6.511 -2.073 1.00 0.00 C ATOM 623 OE1 GLU A 39 -9.528 6.931 -2.164 1.00 0.00 O ATOM 624 OE2 GLU A 39 -11.560 6.681 -2.963 1.00 0.00 O ATOM 0 H GLU A 39 -10.035 2.763 -0.026 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.283 4.250 0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.820 3.809 -1.662 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.463 4.410 -1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.882 6.311 -0.301 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.246 5.703 -0.145 1.00 0.00 H new