USER MOD reduce.3.24.130724 H: found=0, std=0, add=294, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 295 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 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -150:sc= -1.75 (180deg=-2.28!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.36) USER MOD Single : A 23 TYR OH : rot -100:sc= 0.572 USER MOD Single : A 26 CYS SG : rot -20:sc= -3.13! USER MOD Single : A 28 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0258) USER MOD Single : A 29 ASN : amide:sc= 0.0144 K(o=0.014,f=-1.1) USER MOD Single : A 31 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.04) USER MOD Single : A 35 ASN : amide:sc=-0.00429 X(o=-0.0043,f=0) USER MOD Single : A 39 SER OG : rot -20:sc= 0.144 USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 3 31.295 -1.924 -9.121 1.00 0.00 N ATOM 36 CA LYS A 3 31.313 -0.462 -9.156 1.00 0.00 C ATOM 37 C LYS A 3 30.174 0.180 -8.330 1.00 0.00 C ATOM 38 O LYS A 3 30.230 1.351 -7.979 1.00 0.00 O ATOM 39 CB LYS A 3 31.325 0.017 -10.606 1.00 0.00 C ATOM 40 CG LYS A 3 30.004 -0.193 -11.353 1.00 0.00 C ATOM 41 CD LYS A 3 29.149 1.081 -11.435 1.00 0.00 C ATOM 42 CE LYS A 3 28.298 1.112 -12.711 1.00 0.00 C ATOM 43 NZ LYS A 3 26.983 1.706 -12.513 1.00 0.00 N ATOM 0 HA LYS A 3 32.230 -0.127 -8.671 1.00 0.00 H new ATOM 0 HB2 LYS A 3 31.573 1.078 -10.623 1.00 0.00 H new ATOM 0 HB3 LYS A 3 32.118 -0.505 -11.142 1.00 0.00 H new ATOM 0 HG2 LYS A 3 30.216 -0.547 -12.362 1.00 0.00 H new ATOM 0 HG3 LYS A 3 29.432 -0.976 -10.855 1.00 0.00 H new ATOM 0 HD2 LYS A 3 28.499 1.140 -10.562 1.00 0.00 H new ATOM 0 HD3 LYS A 3 29.797 1.957 -11.409 1.00 0.00 H new ATOM 0 HE2 LYS A 3 28.830 1.672 -13.480 1.00 0.00 H new ATOM 0 HE3 LYS A 3 28.177 0.095 -13.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 26.459 1.697 -13.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 26.459 1.159 -11.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 27.091 2.687 -12.185 1.00 0.00 H new ATOM 57 N GLU A 4 29.157 -0.665 -8.040 1.00 0.00 N ATOM 58 CA GLU A 4 28.006 -0.281 -7.229 1.00 0.00 C ATOM 59 C GLU A 4 28.417 0.043 -5.794 1.00 0.00 C ATOM 60 O GLU A 4 27.980 1.024 -5.212 1.00 0.00 O ATOM 61 CB GLU A 4 27.012 -1.453 -7.195 1.00 0.00 C ATOM 62 CG GLU A 4 25.940 -1.361 -8.293 1.00 0.00 C ATOM 63 CD GLU A 4 24.524 -1.214 -7.698 1.00 0.00 C ATOM 64 OE1 GLU A 4 24.100 -2.108 -6.967 1.00 0.00 O ATOM 65 OE2 GLU A 4 23.861 -0.212 -7.971 1.00 0.00 O ATOM 0 H GLU A 4 29.123 -1.630 -8.368 1.00 0.00 H new ATOM 0 HA GLU A 4 27.557 0.608 -7.672 1.00 0.00 H new ATOM 0 HB2 GLU A 4 27.559 -2.390 -7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 4 26.525 -1.481 -6.220 1.00 0.00 H new ATOM 0 HG2 GLU A 4 26.153 -0.510 -8.939 1.00 0.00 H new ATOM 0 HG3 GLU A 4 25.981 -2.253 -8.918 1.00 0.00 H new ATOM 72 N ALA A 5 29.281 -0.850 -5.269 1.00 0.00 N ATOM 73 CA ALA A 5 29.780 -0.599 -3.932 1.00 0.00 C ATOM 74 C ALA A 5 30.800 0.534 -3.943 1.00 0.00 C ATOM 75 O ALA A 5 31.109 1.054 -2.889 1.00 0.00 O ATOM 76 CB ALA A 5 30.396 -1.855 -3.321 1.00 0.00 C ATOM 0 H ALA A 5 29.622 -1.695 -5.727 1.00 0.00 H new ATOM 0 HA ALA A 5 28.931 -0.304 -3.315 1.00 0.00 H new ATOM 0 HB1 ALA A 5 30.760 -1.631 -2.318 1.00 0.00 H new ATOM 0 HB2 ALA A 5 29.642 -2.640 -3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 5 31.226 -2.192 -3.942 1.00 0.00 H new ATOM 82 N ILE A 6 31.322 0.907 -5.129 1.00 0.00 N ATOM 83 CA ILE A 6 32.446 1.842 -5.139 1.00 0.00 C ATOM 84 C ILE A 6 32.019 3.261 -4.777 1.00 0.00 C ATOM 85 O ILE A 6 32.697 3.929 -4.015 1.00 0.00 O ATOM 86 CB ILE A 6 33.227 1.796 -6.458 1.00 0.00 C ATOM 87 CG1 ILE A 6 33.671 0.366 -6.784 1.00 0.00 C ATOM 88 CG2 ILE A 6 34.413 2.771 -6.489 1.00 0.00 C ATOM 89 CD1 ILE A 6 34.554 -0.320 -5.748 1.00 0.00 C ATOM 0 H ILE A 6 30.999 0.591 -6.043 1.00 0.00 H new ATOM 0 HA ILE A 6 33.130 1.511 -4.358 1.00 0.00 H new ATOM 0 HB ILE A 6 32.541 2.129 -7.237 1.00 0.00 H new ATOM 0 HG12 ILE A 6 32.780 -0.244 -6.931 1.00 0.00 H new ATOM 0 HG13 ILE A 6 34.207 0.382 -7.733 1.00 0.00 H new ATOM 0 HG21 ILE A 6 34.925 2.691 -7.448 1.00 0.00 H new ATOM 0 HG22 ILE A 6 34.050 3.790 -6.356 1.00 0.00 H new ATOM 0 HG23 ILE A 6 35.107 2.525 -5.685 1.00 0.00 H new ATOM 0 HD11 ILE A 6 34.803 -1.325 -6.090 1.00 0.00 H new ATOM 0 HD12 ILE A 6 35.470 0.255 -5.613 1.00 0.00 H new ATOM 0 HD13 ILE A 6 34.021 -0.381 -4.799 1.00 0.00 H new ATOM 101 N GLU A 7 30.862 3.661 -5.337 1.00 0.00 N ATOM 102 CA GLU A 7 30.277 4.953 -5.003 1.00 0.00 C ATOM 103 C GLU A 7 29.674 4.953 -3.589 1.00 0.00 C ATOM 104 O GLU A 7 29.431 6.001 -3.013 1.00 0.00 O ATOM 105 CB GLU A 7 29.219 5.307 -6.056 1.00 0.00 C ATOM 106 CG GLU A 7 28.001 4.369 -6.047 1.00 0.00 C ATOM 107 CD GLU A 7 27.077 4.659 -7.244 1.00 0.00 C ATOM 108 OE1 GLU A 7 27.327 4.125 -8.325 1.00 0.00 O ATOM 109 OE2 GLU A 7 26.116 5.411 -7.082 1.00 0.00 O ATOM 0 H GLU A 7 30.329 3.112 -6.011 1.00 0.00 H new ATOM 0 HA GLU A 7 31.062 5.709 -5.008 1.00 0.00 H new ATOM 0 HB2 GLU A 7 28.880 6.329 -5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 7 29.679 5.281 -7.044 1.00 0.00 H new ATOM 0 HG2 GLU A 7 28.335 3.332 -6.083 1.00 0.00 H new ATOM 0 HG3 GLU A 7 27.448 4.494 -5.116 1.00 0.00 H new ATOM 116 N ARG A 8 29.455 3.720 -3.078 1.00 0.00 N ATOM 117 CA ARG A 8 28.859 3.534 -1.764 1.00 0.00 C ATOM 118 C ARG A 8 29.908 3.744 -0.672 1.00 0.00 C ATOM 119 O ARG A 8 29.730 4.554 0.219 1.00 0.00 O ATOM 120 CB ARG A 8 28.268 2.115 -1.689 1.00 0.00 C ATOM 121 CG ARG A 8 26.822 2.091 -1.170 1.00 0.00 C ATOM 122 CD ARG A 8 25.834 1.448 -2.155 1.00 0.00 C ATOM 123 NE ARG A 8 25.212 0.273 -1.557 1.00 0.00 N ATOM 124 CZ ARG A 8 24.042 -0.232 -2.003 1.00 0.00 C ATOM 125 NH1 ARG A 8 23.392 0.333 -3.019 1.00 0.00 N ATOM 126 NH2 ARG A 8 23.534 -1.309 -1.412 1.00 0.00 N ATOM 0 H ARG A 8 29.685 2.853 -3.563 1.00 0.00 H new ATOM 0 HA ARG A 8 28.066 4.266 -1.608 1.00 0.00 H new ATOM 0 HB2 ARG A 8 28.300 1.662 -2.680 1.00 0.00 H new ATOM 0 HB3 ARG A 8 28.892 1.502 -1.038 1.00 0.00 H new ATOM 0 HG2 ARG A 8 26.791 1.546 -0.227 1.00 0.00 H new ATOM 0 HG3 ARG A 8 26.502 3.111 -0.959 1.00 0.00 H new ATOM 0 HD2 ARG A 8 25.067 2.171 -2.435 1.00 0.00 H new ATOM 0 HD3 ARG A 8 26.355 1.166 -3.070 1.00 0.00 H new ATOM 0 HE ARG A 8 25.678 -0.184 -0.773 1.00 0.00 H new ATOM 0 HH11 ARG A 8 23.777 1.161 -3.473 1.00 0.00 H new ATOM 0 HH12 ARG A 8 22.509 -0.062 -3.343 1.00 0.00 H new ATOM 0 HH21 ARG A 8 24.027 -1.743 -0.632 1.00 0.00 H new ATOM 0 HH22 ARG A 8 22.651 -1.701 -1.739 1.00 0.00 H new ATOM 140 N LEU A 9 30.998 2.964 -0.840 1.00 0.00 N ATOM 141 CA LEU A 9 32.203 2.960 -0.027 1.00 0.00 C ATOM 142 C LEU A 9 32.793 4.394 -0.032 1.00 0.00 C ATOM 143 O LEU A 9 33.117 4.949 1.003 1.00 0.00 O ATOM 144 CB LEU A 9 33.169 1.907 -0.585 1.00 0.00 C ATOM 145 CG LEU A 9 32.629 0.461 -0.598 1.00 0.00 C ATOM 146 CD1 LEU A 9 33.299 -0.305 -1.744 1.00 0.00 C ATOM 147 CD2 LEU A 9 32.801 -0.288 0.718 1.00 0.00 C ATOM 0 H LEU A 9 31.049 2.283 -1.598 1.00 0.00 H new ATOM 0 HA LEU A 9 32.000 2.690 1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 9 33.437 2.187 -1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 9 34.086 1.930 0.004 1.00 0.00 H new ATOM 0 HG LEU A 9 31.551 0.526 -0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 9 32.926 -1.329 -1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 9 33.070 0.184 -2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 9 34.378 -0.315 -1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 9 32.395 -1.295 0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 9 33.860 -0.347 0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 9 32.271 0.241 1.510 1.00 0.00 H new ATOM 159 N LYS A 10 32.838 4.988 -1.247 1.00 0.00 N ATOM 160 CA LYS A 10 33.261 6.388 -1.388 1.00 0.00 C ATOM 161 C LYS A 10 32.331 7.373 -0.644 1.00 0.00 C ATOM 162 O LYS A 10 32.781 8.369 -0.099 1.00 0.00 O ATOM 163 CB LYS A 10 33.252 6.806 -2.878 1.00 0.00 C ATOM 164 CG LYS A 10 34.652 6.965 -3.483 1.00 0.00 C ATOM 165 CD LYS A 10 34.916 8.385 -4.032 1.00 0.00 C ATOM 166 CE LYS A 10 35.467 8.406 -5.464 1.00 0.00 C ATOM 167 NZ LYS A 10 36.839 8.887 -5.554 1.00 0.00 N ATOM 0 H LYS A 10 32.591 4.526 -2.122 1.00 0.00 H new ATOM 0 HA LYS A 10 34.261 6.439 -0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 10 32.701 6.061 -3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 10 32.713 7.748 -2.978 1.00 0.00 H new ATOM 0 HG2 LYS A 10 35.398 6.731 -2.724 1.00 0.00 H new ATOM 0 HG3 LYS A 10 34.778 6.241 -4.288 1.00 0.00 H new ATOM 0 HD2 LYS A 10 33.987 8.954 -4.002 1.00 0.00 H new ATOM 0 HD3 LYS A 10 35.622 8.893 -3.374 1.00 0.00 H new ATOM 0 HE2 LYS A 10 35.416 7.399 -5.879 1.00 0.00 H new ATOM 0 HE3 LYS A 10 34.828 9.038 -6.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 36.985 9.350 -6.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 37.018 9.570 -4.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 37.495 8.085 -5.463 1.00 0.00 H new ATOM 181 N ALA A 11 31.016 7.055 -0.693 1.00 0.00 N ATOM 182 CA ALA A 11 30.002 7.948 -0.130 1.00 0.00 C ATOM 183 C ALA A 11 30.100 8.067 1.403 1.00 0.00 C ATOM 184 O ALA A 11 29.603 9.022 1.982 1.00 0.00 O ATOM 185 CB ALA A 11 28.596 7.487 -0.535 1.00 0.00 C ATOM 0 H ALA A 11 30.647 6.201 -1.111 1.00 0.00 H new ATOM 0 HA ALA A 11 30.192 8.939 -0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 11 27.855 8.162 -0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 11 28.510 7.494 -1.622 1.00 0.00 H new ATOM 0 HB3 ALA A 11 28.423 6.477 -0.164 1.00 0.00 H new ATOM 191 N LEU A 12 30.784 7.074 2.018 1.00 0.00 N ATOM 192 CA LEU A 12 31.030 7.116 3.454 1.00 0.00 C ATOM 193 C LEU A 12 32.174 8.109 3.821 1.00 0.00 C ATOM 194 O LEU A 12 32.531 8.220 4.985 1.00 0.00 O ATOM 195 CB LEU A 12 31.398 5.706 3.944 1.00 0.00 C ATOM 196 CG LEU A 12 30.282 4.637 3.955 1.00 0.00 C ATOM 197 CD1 LEU A 12 30.466 3.642 2.811 1.00 0.00 C ATOM 198 CD2 LEU A 12 30.292 3.842 5.264 1.00 0.00 C ATOM 0 H LEU A 12 31.163 6.255 1.542 1.00 0.00 H new ATOM 0 HA LEU A 12 30.120 7.465 3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 12 32.212 5.336 3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 12 31.788 5.794 4.958 1.00 0.00 H new ATOM 0 HG LEU A 12 29.337 5.170 3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 12 29.668 2.901 2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 12 30.433 4.172 1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 12 31.429 3.142 2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 12 29.496 3.097 5.243 1.00 0.00 H new ATOM 0 HD22 LEU A 12 31.254 3.342 5.379 1.00 0.00 H new ATOM 0 HD23 LEU A 12 30.133 4.520 6.103 1.00 0.00 H new ATOM 210 N GLY A 13 32.712 8.816 2.793 1.00 0.00 N ATOM 211 CA GLY A 13 33.736 9.846 2.986 1.00 0.00 C ATOM 212 C GLY A 13 35.149 9.368 2.613 1.00 0.00 C ATOM 213 O GLY A 13 36.136 9.895 3.114 1.00 0.00 O ATOM 0 H GLY A 13 32.443 8.681 1.819 1.00 0.00 H new ATOM 0 HA2 GLY A 13 33.483 10.719 2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 13 33.730 10.165 4.028 1.00 0.00 H new ATOM 217 N PHE A 14 35.182 8.332 1.734 1.00 0.00 N ATOM 218 CA PHE A 14 36.427 7.645 1.381 1.00 0.00 C ATOM 219 C PHE A 14 36.823 8.021 -0.063 1.00 0.00 C ATOM 220 O PHE A 14 36.570 9.137 -0.503 1.00 0.00 O ATOM 221 CB PHE A 14 36.231 6.124 1.591 1.00 0.00 C ATOM 222 CG PHE A 14 35.664 5.771 2.946 1.00 0.00 C ATOM 223 CD1 PHE A 14 35.828 6.597 4.062 1.00 0.00 C ATOM 224 CD2 PHE A 14 34.909 4.612 3.081 1.00 0.00 C ATOM 225 CE1 PHE A 14 35.152 6.328 5.238 1.00 0.00 C ATOM 226 CE2 PHE A 14 34.240 4.337 4.261 1.00 0.00 C ATOM 227 CZ PHE A 14 34.336 5.221 5.330 1.00 0.00 C ATOM 0 H PHE A 14 34.355 7.964 1.264 1.00 0.00 H new ATOM 0 HA PHE A 14 37.253 7.955 2.022 1.00 0.00 H new ATOM 0 HB2 PHE A 14 35.566 5.741 0.817 1.00 0.00 H new ATOM 0 HB3 PHE A 14 37.190 5.621 1.465 1.00 0.00 H new ATOM 0 HD1 PHE A 14 36.487 7.451 4.005 1.00 0.00 H new ATOM 0 HD2 PHE A 14 34.844 3.918 2.256 1.00 0.00 H new ATOM 0 HE1 PHE A 14 35.264 6.987 6.086 1.00 0.00 H new ATOM 0 HE2 PHE A 14 33.646 3.440 4.351 1.00 0.00 H new ATOM 0 HZ PHE A 14 33.771 5.040 6.233 1.00 0.00 H new ATOM 237 N GLU A 15 37.455 7.055 -0.767 1.00 0.00 N ATOM 238 CA GLU A 15 37.940 7.275 -2.128 1.00 0.00 C ATOM 239 C GLU A 15 38.034 5.922 -2.826 1.00 0.00 C ATOM 240 O GLU A 15 38.506 4.955 -2.244 1.00 0.00 O ATOM 241 CB GLU A 15 39.299 7.995 -2.119 1.00 0.00 C ATOM 242 CG GLU A 15 39.562 8.813 -3.393 1.00 0.00 C ATOM 243 CD GLU A 15 40.378 8.032 -4.438 1.00 0.00 C ATOM 244 OE1 GLU A 15 41.605 8.051 -4.355 1.00 0.00 O ATOM 245 OE2 GLU A 15 39.784 7.430 -5.331 1.00 0.00 O ATOM 0 H GLU A 15 37.636 6.119 -0.406 1.00 0.00 H new ATOM 0 HA GLU A 15 37.247 7.918 -2.670 1.00 0.00 H new ATOM 0 HB2 GLU A 15 39.346 8.657 -1.254 1.00 0.00 H new ATOM 0 HB3 GLU A 15 40.092 7.257 -1.999 1.00 0.00 H new ATOM 0 HG2 GLU A 15 38.610 9.113 -3.831 1.00 0.00 H new ATOM 0 HG3 GLU A 15 40.095 9.727 -3.130 1.00 0.00 H new ATOM 252 N GLU A 16 37.561 5.924 -4.090 1.00 0.00 N ATOM 253 CA GLU A 16 37.446 4.758 -4.965 1.00 0.00 C ATOM 254 C GLU A 16 38.710 3.845 -5.000 1.00 0.00 C ATOM 255 O GLU A 16 38.623 2.683 -5.366 1.00 0.00 O ATOM 256 CB GLU A 16 37.010 5.229 -6.361 1.00 0.00 C ATOM 257 CG GLU A 16 37.320 4.286 -7.544 1.00 0.00 C ATOM 258 CD GLU A 16 38.780 4.340 -8.043 1.00 0.00 C ATOM 259 OE1 GLU A 16 39.491 5.285 -7.707 1.00 0.00 O ATOM 260 OE2 GLU A 16 39.192 3.429 -8.762 1.00 0.00 O ATOM 0 H GLU A 16 37.237 6.780 -4.540 1.00 0.00 H new ATOM 0 HA GLU A 16 36.682 4.104 -4.545 1.00 0.00 H new ATOM 0 HB2 GLU A 16 35.934 5.404 -6.339 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.486 6.190 -6.559 1.00 0.00 H new ATOM 0 HG2 GLU A 16 37.089 3.263 -7.246 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.657 4.534 -8.373 1.00 0.00 H new ATOM 267 N SER A 17 39.868 4.410 -4.605 1.00 0.00 N ATOM 268 CA SER A 17 41.097 3.637 -4.539 1.00 0.00 C ATOM 269 C SER A 17 41.149 2.807 -3.250 1.00 0.00 C ATOM 270 O SER A 17 41.331 1.601 -3.302 1.00 0.00 O ATOM 271 CB SER A 17 42.279 4.610 -4.581 1.00 0.00 C ATOM 272 OG SER A 17 42.716 4.879 -5.900 1.00 0.00 O ATOM 0 H SER A 17 39.965 5.388 -4.332 1.00 0.00 H new ATOM 0 HA SER A 17 41.141 2.949 -5.383 1.00 0.00 H new ATOM 0 HB2 SER A 17 41.992 5.545 -4.099 1.00 0.00 H new ATOM 0 HB3 SER A 17 43.107 4.196 -4.005 1.00 0.00 H new ATOM 0 HG SER A 17 43.469 5.505 -5.874 1.00 0.00 H new ATOM 278 N LEU A 18 40.973 3.507 -2.099 1.00 0.00 N ATOM 279 CA LEU A 18 40.978 2.787 -0.820 1.00 0.00 C ATOM 280 C LEU A 18 39.787 1.836 -0.709 1.00 0.00 C ATOM 281 O LEU A 18 39.827 0.870 0.044 1.00 0.00 O ATOM 282 CB LEU A 18 41.094 3.737 0.389 1.00 0.00 C ATOM 283 CG LEU A 18 39.817 4.405 0.952 1.00 0.00 C ATOM 284 CD1 LEU A 18 39.582 4.040 2.428 1.00 0.00 C ATOM 285 CD2 LEU A 18 39.892 5.926 0.818 1.00 0.00 C ATOM 0 H LEU A 18 40.834 4.516 -2.038 1.00 0.00 H new ATOM 0 HA LEU A 18 41.877 2.171 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 18 41.557 3.178 1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 18 41.787 4.533 0.115 1.00 0.00 H new ATOM 0 HG LEU A 18 38.981 4.027 0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 18 38.676 4.530 2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 18 39.472 2.960 2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 18 40.432 4.372 3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 18 38.983 6.372 1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 18 40.754 6.298 1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 18 39.992 6.194 -0.234 1.00 0.00 H new ATOM 297 N VAL A 19 38.768 2.171 -1.512 1.00 0.00 N ATOM 298 CA VAL A 19 37.497 1.486 -1.673 1.00 0.00 C ATOM 299 C VAL A 19 37.694 0.170 -2.433 1.00 0.00 C ATOM 300 O VAL A 19 37.335 -0.890 -1.950 1.00 0.00 O ATOM 301 CB VAL A 19 36.617 2.463 -2.464 1.00 0.00 C ATOM 302 CG1 VAL A 19 35.559 1.803 -3.339 1.00 0.00 C ATOM 303 CG2 VAL A 19 36.035 3.617 -1.627 1.00 0.00 C ATOM 0 H VAL A 19 38.825 2.996 -2.110 1.00 0.00 H new ATOM 0 HA VAL A 19 37.041 1.222 -0.719 1.00 0.00 H new ATOM 0 HB VAL A 19 37.327 2.919 -3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 19 34.986 2.571 -3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 19 36.043 1.155 -4.069 1.00 0.00 H new ATOM 0 HG13 VAL A 19 34.889 1.211 -2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 19 35.427 4.258 -2.265 1.00 0.00 H new ATOM 0 HG22 VAL A 19 35.417 3.210 -0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 19 36.849 4.200 -1.196 1.00 0.00 H new ATOM 313 N ILE A 20 38.258 0.316 -3.655 1.00 0.00 N ATOM 314 CA ILE A 20 38.473 -0.834 -4.526 1.00 0.00 C ATOM 315 C ILE A 20 39.325 -1.873 -3.810 1.00 0.00 C ATOM 316 O ILE A 20 38.963 -3.034 -3.780 1.00 0.00 O ATOM 317 CB ILE A 20 39.098 -0.418 -5.880 1.00 0.00 C ATOM 318 CG1 ILE A 20 38.047 0.138 -6.854 1.00 0.00 C ATOM 319 CG2 ILE A 20 39.881 -1.554 -6.566 1.00 0.00 C ATOM 320 CD1 ILE A 20 37.182 -0.959 -7.496 1.00 0.00 C ATOM 0 H ILE A 20 38.564 1.208 -4.044 1.00 0.00 H new ATOM 0 HA ILE A 20 37.505 -1.279 -4.755 1.00 0.00 H new ATOM 0 HB ILE A 20 39.807 0.371 -5.630 1.00 0.00 H new ATOM 0 HG12 ILE A 20 37.401 0.837 -6.323 1.00 0.00 H new ATOM 0 HG13 ILE A 20 38.550 0.702 -7.639 1.00 0.00 H new ATOM 0 HG21 ILE A 20 40.292 -1.194 -7.509 1.00 0.00 H new ATOM 0 HG22 ILE A 20 40.694 -1.880 -5.917 1.00 0.00 H new ATOM 0 HG23 ILE A 20 39.212 -2.393 -6.758 1.00 0.00 H new ATOM 0 HD11 ILE A 20 36.460 -0.503 -8.173 1.00 0.00 H new ATOM 0 HD12 ILE A 20 37.819 -1.645 -8.054 1.00 0.00 H new ATOM 0 HD13 ILE A 20 36.653 -1.508 -6.717 1.00 0.00 H new ATOM 332 N GLN A 21 40.444 -1.381 -3.238 1.00 0.00 N ATOM 333 CA GLN A 21 41.356 -2.253 -2.512 1.00 0.00 C ATOM 334 C GLN A 21 40.760 -2.734 -1.174 1.00 0.00 C ATOM 335 O GLN A 21 41.150 -3.782 -0.687 1.00 0.00 O ATOM 336 CB GLN A 21 42.706 -1.548 -2.272 1.00 0.00 C ATOM 337 CG GLN A 21 43.460 -1.110 -3.540 1.00 0.00 C ATOM 338 CD GLN A 21 43.538 -2.216 -4.606 1.00 0.00 C ATOM 339 OE1 GLN A 21 43.758 -3.384 -4.320 1.00 0.00 O ATOM 340 NE2 GLN A 21 43.327 -1.754 -5.852 1.00 0.00 N ATOM 0 H GLN A 21 40.724 -0.401 -3.270 1.00 0.00 H new ATOM 0 HA GLN A 21 41.519 -3.134 -3.133 1.00 0.00 H new ATOM 0 HB2 GLN A 21 42.531 -0.668 -1.652 1.00 0.00 H new ATOM 0 HB3 GLN A 21 43.349 -2.218 -1.701 1.00 0.00 H new ATOM 0 HG2 GLN A 21 42.966 -0.237 -3.966 1.00 0.00 H new ATOM 0 HG3 GLN A 21 44.470 -0.804 -3.268 1.00 0.00 H new ATOM 0 HE21 GLN A 21 43.150 -0.761 -6.005 1.00 0.00 H new ATOM 0 HE22 GLN A 21 43.344 -2.397 -6.644 1.00 0.00 H new ATOM 349 N ALA A 22 39.800 -1.947 -0.626 1.00 0.00 N ATOM 350 CA ALA A 22 39.072 -2.358 0.579 1.00 0.00 C ATOM 351 C ALA A 22 37.936 -3.338 0.280 1.00 0.00 C ATOM 352 O ALA A 22 37.366 -3.905 1.199 1.00 0.00 O ATOM 353 CB ALA A 22 38.383 -1.168 1.253 1.00 0.00 C ATOM 0 H ALA A 22 39.522 -1.040 -1.000 1.00 0.00 H new ATOM 0 HA ALA A 22 39.834 -2.814 1.211 1.00 0.00 H new ATOM 0 HB1 ALA A 22 37.853 -1.510 2.142 1.00 0.00 H new ATOM 0 HB2 ALA A 22 39.131 -0.428 1.538 1.00 0.00 H new ATOM 0 HB3 ALA A 22 37.673 -0.718 0.559 1.00 0.00 H new ATOM 359 N TYR A 23 37.622 -3.474 -1.025 1.00 0.00 N ATOM 360 CA TYR A 23 36.536 -4.341 -1.465 1.00 0.00 C ATOM 361 C TYR A 23 37.106 -5.589 -2.144 1.00 0.00 C ATOM 362 O TYR A 23 36.455 -6.617 -2.184 1.00 0.00 O ATOM 363 CB TYR A 23 35.604 -3.570 -2.421 1.00 0.00 C ATOM 364 CG TYR A 23 34.155 -3.900 -2.189 1.00 0.00 C ATOM 365 CD1 TYR A 23 33.500 -3.341 -1.105 1.00 0.00 C ATOM 366 CD2 TYR A 23 33.458 -4.751 -3.032 1.00 0.00 C ATOM 367 CE1 TYR A 23 32.161 -3.612 -0.855 1.00 0.00 C ATOM 368 CE2 TYR A 23 32.120 -5.041 -2.790 1.00 0.00 C ATOM 369 CZ TYR A 23 31.468 -4.454 -1.709 1.00 0.00 C ATOM 370 OH TYR A 23 30.129 -4.684 -1.458 1.00 0.00 O ATOM 0 H TYR A 23 38.109 -2.992 -1.781 1.00 0.00 H new ATOM 0 HA TYR A 23 35.954 -4.659 -0.600 1.00 0.00 H new ATOM 0 HB2 TYR A 23 35.757 -2.499 -2.289 1.00 0.00 H new ATOM 0 HB3 TYR A 23 35.868 -3.805 -3.452 1.00 0.00 H new ATOM 0 HD1 TYR A 23 34.040 -2.682 -0.441 1.00 0.00 H new ATOM 0 HD2 TYR A 23 33.957 -5.192 -3.882 1.00 0.00 H new ATOM 0 HE1 TYR A 23 31.665 -3.171 -0.003 1.00 0.00 H new ATOM 0 HE2 TYR A 23 31.588 -5.720 -3.439 1.00 0.00 H new ATOM 0 HH TYR A 23 30.025 -5.546 -1.004 1.00 0.00 H new ATOM 380 N PHE A 24 38.342 -5.448 -2.666 1.00 0.00 N ATOM 381 CA PHE A 24 39.020 -6.525 -3.382 1.00 0.00 C ATOM 382 C PHE A 24 39.824 -7.376 -2.383 1.00 0.00 C ATOM 383 O PHE A 24 39.836 -8.595 -2.455 1.00 0.00 O ATOM 384 CB PHE A 24 39.964 -5.942 -4.460 1.00 0.00 C ATOM 385 CG PHE A 24 39.444 -6.111 -5.865 1.00 0.00 C ATOM 386 CD1 PHE A 24 38.370 -5.365 -6.342 1.00 0.00 C ATOM 387 CD2 PHE A 24 40.035 -7.044 -6.709 1.00 0.00 C ATOM 388 CE1 PHE A 24 37.895 -5.554 -7.635 1.00 0.00 C ATOM 389 CE2 PHE A 24 39.567 -7.237 -8.000 1.00 0.00 C ATOM 390 CZ PHE A 24 38.494 -6.493 -8.464 1.00 0.00 C ATOM 0 H PHE A 24 38.886 -4.588 -2.599 1.00 0.00 H new ATOM 0 HA PHE A 24 38.276 -7.150 -3.875 1.00 0.00 H new ATOM 0 HB2 PHE A 24 40.118 -4.881 -4.262 1.00 0.00 H new ATOM 0 HB3 PHE A 24 40.938 -6.426 -4.380 1.00 0.00 H new ATOM 0 HD1 PHE A 24 37.901 -4.632 -5.702 1.00 0.00 H new ATOM 0 HD2 PHE A 24 40.872 -7.628 -6.354 1.00 0.00 H new ATOM 0 HE1 PHE A 24 37.060 -4.971 -7.994 1.00 0.00 H new ATOM 0 HE2 PHE A 24 40.038 -7.966 -8.643 1.00 0.00 H new ATOM 0 HZ PHE A 24 38.125 -6.643 -9.468 1.00 0.00 H new ATOM 400 N ALA A 25 40.489 -6.648 -1.451 1.00 0.00 N ATOM 401 CA ALA A 25 41.274 -7.296 -0.403 1.00 0.00 C ATOM 402 C ALA A 25 40.362 -7.989 0.625 1.00 0.00 C ATOM 403 O ALA A 25 40.754 -8.954 1.265 1.00 0.00 O ATOM 404 CB ALA A 25 42.162 -6.268 0.306 1.00 0.00 C ATOM 0 H ALA A 25 40.490 -5.629 -1.414 1.00 0.00 H new ATOM 0 HA ALA A 25 41.901 -8.053 -0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 25 42.742 -6.764 1.085 1.00 0.00 H new ATOM 0 HB2 ALA A 25 42.839 -5.812 -0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 25 41.537 -5.496 0.755 1.00 0.00 H new ATOM 410 N CYS A 26 39.126 -7.447 0.717 1.00 0.00 N ATOM 411 CA CYS A 26 38.096 -8.033 1.569 1.00 0.00 C ATOM 412 C CYS A 26 37.383 -9.224 0.906 1.00 0.00 C ATOM 413 O CYS A 26 36.456 -9.769 1.490 1.00 0.00 O ATOM 414 CB CYS A 26 37.054 -6.959 1.903 1.00 0.00 C ATOM 415 SG CYS A 26 37.371 -6.265 3.545 1.00 0.00 S ATOM 0 H CYS A 26 38.831 -6.612 0.212 1.00 0.00 H new ATOM 0 HA CYS A 26 38.589 -8.403 2.468 1.00 0.00 H new ATOM 0 HB2 CYS A 26 37.085 -6.168 1.154 1.00 0.00 H new ATOM 0 HB3 CYS A 26 36.054 -7.390 1.870 1.00 0.00 H new ATOM 0 HG CYS A 26 38.108 -7.089 4.229 1.00 0.00 H new ATOM 421 N GLU A 27 37.826 -9.587 -0.326 1.00 0.00 N ATOM 422 CA GLU A 27 37.168 -10.650 -1.089 1.00 0.00 C ATOM 423 C GLU A 27 35.685 -10.301 -1.341 1.00 0.00 C ATOM 424 O GLU A 27 34.774 -10.991 -0.917 1.00 0.00 O ATOM 425 CB GLU A 27 37.411 -12.013 -0.401 1.00 0.00 C ATOM 426 CG GLU A 27 36.529 -13.191 -0.884 1.00 0.00 C ATOM 427 CD GLU A 27 35.327 -13.497 0.052 1.00 0.00 C ATOM 428 OE1 GLU A 27 35.500 -13.444 1.269 1.00 0.00 O ATOM 429 OE2 GLU A 27 34.232 -13.777 -0.442 1.00 0.00 O ATOM 0 H GLU A 27 38.624 -9.160 -0.796 1.00 0.00 H new ATOM 0 HA GLU A 27 37.606 -10.737 -2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 27 38.456 -12.287 -0.544 1.00 0.00 H new ATOM 0 HB3 GLU A 27 37.258 -11.888 0.671 1.00 0.00 H new ATOM 0 HG2 GLU A 27 36.153 -12.966 -1.882 1.00 0.00 H new ATOM 0 HG3 GLU A 27 37.147 -14.084 -0.970 1.00 0.00 H new ATOM 436 N LYS A 28 35.523 -9.170 -2.060 1.00 0.00 N ATOM 437 CA LYS A 28 34.241 -8.643 -2.526 1.00 0.00 C ATOM 438 C LYS A 28 33.065 -8.949 -1.582 1.00 0.00 C ATOM 439 O LYS A 28 32.110 -9.628 -1.938 1.00 0.00 O ATOM 440 CB LYS A 28 34.013 -9.133 -3.969 1.00 0.00 C ATOM 441 CG LYS A 28 34.441 -8.076 -4.981 1.00 0.00 C ATOM 442 CD LYS A 28 35.952 -7.866 -5.077 1.00 0.00 C ATOM 443 CE LYS A 28 36.538 -8.322 -6.410 1.00 0.00 C ATOM 444 NZ LYS A 28 36.300 -9.721 -6.718 1.00 0.00 N ATOM 0 H LYS A 28 36.312 -8.586 -2.336 1.00 0.00 H new ATOM 0 HA LYS A 28 34.285 -7.554 -2.521 1.00 0.00 H new ATOM 0 HB2 LYS A 28 34.575 -10.051 -4.138 1.00 0.00 H new ATOM 0 HB3 LYS A 28 32.960 -9.373 -4.113 1.00 0.00 H new ATOM 0 HG2 LYS A 28 34.063 -8.358 -5.964 1.00 0.00 H new ATOM 0 HG3 LYS A 28 33.971 -7.128 -4.718 1.00 0.00 H new ATOM 0 HD2 LYS A 28 36.176 -6.809 -4.932 1.00 0.00 H new ATOM 0 HD3 LYS A 28 36.440 -8.409 -4.268 1.00 0.00 H new ATOM 0 HE2 LYS A 28 36.117 -7.709 -7.207 1.00 0.00 H new ATOM 0 HE3 LYS A 28 37.613 -8.141 -6.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 36.813 -9.978 -7.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 36.635 -10.312 -5.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 35.282 -9.877 -6.859 1.00 0.00 H new ATOM 458 N ASN A 29 33.229 -8.420 -0.349 1.00 0.00 N ATOM 459 CA ASN A 29 32.279 -8.720 0.717 1.00 0.00 C ATOM 460 C ASN A 29 31.407 -7.474 0.927 1.00 0.00 C ATOM 461 O ASN A 29 31.168 -6.743 -0.024 1.00 0.00 O ATOM 462 CB ASN A 29 33.072 -9.180 1.957 1.00 0.00 C ATOM 463 CG ASN A 29 32.309 -10.289 2.691 1.00 0.00 C ATOM 464 OD1 ASN A 29 31.565 -10.055 3.631 1.00 0.00 O ATOM 465 ND2 ASN A 29 32.537 -11.509 2.160 1.00 0.00 N ATOM 0 H ASN A 29 33.994 -7.800 -0.082 1.00 0.00 H new ATOM 0 HA ASN A 29 31.599 -9.538 0.478 1.00 0.00 H new ATOM 0 HB2 ASN A 29 34.055 -9.543 1.655 1.00 0.00 H new ATOM 0 HB3 ASN A 29 33.235 -8.336 2.627 1.00 0.00 H new ATOM 0 HD21 ASN A 29 32.069 -12.329 2.546 1.00 0.00 H new ATOM 0 HD22 ASN A 29 33.177 -11.611 1.372 1.00 0.00 H new ATOM 472 N GLU A 30 30.948 -7.256 2.178 1.00 0.00 N ATOM 473 CA GLU A 30 30.101 -6.098 2.455 1.00 0.00 C ATOM 474 C GLU A 30 30.452 -5.508 3.815 1.00 0.00 C ATOM 475 O GLU A 30 31.051 -4.450 3.914 1.00 0.00 O ATOM 476 CB GLU A 30 28.610 -6.472 2.391 1.00 0.00 C ATOM 477 CG GLU A 30 28.104 -6.626 0.953 1.00 0.00 C ATOM 478 CD GLU A 30 26.567 -6.599 0.874 1.00 0.00 C ATOM 479 OE1 GLU A 30 25.979 -5.623 1.339 1.00 0.00 O ATOM 480 OE2 GLU A 30 25.974 -7.539 0.342 1.00 0.00 O ATOM 0 H GLU A 30 31.147 -7.851 2.982 1.00 0.00 H new ATOM 0 HA GLU A 30 30.285 -5.346 1.688 1.00 0.00 H new ATOM 0 HB2 GLU A 30 28.449 -7.405 2.931 1.00 0.00 H new ATOM 0 HB3 GLU A 30 28.024 -5.705 2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 30 28.512 -5.824 0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 30 28.471 -7.565 0.538 1.00 0.00 H new ATOM 487 N ASN A 31 30.040 -6.261 4.854 1.00 0.00 N ATOM 488 CA ASN A 31 30.316 -5.855 6.224 1.00 0.00 C ATOM 489 C ASN A 31 31.826 -5.812 6.485 1.00 0.00 C ATOM 490 O ASN A 31 32.268 -5.141 7.403 1.00 0.00 O ATOM 491 CB ASN A 31 29.653 -6.861 7.200 1.00 0.00 C ATOM 492 CG ASN A 31 28.570 -6.225 8.085 1.00 0.00 C ATOM 493 OD1 ASN A 31 27.492 -6.772 8.270 1.00 0.00 O ATOM 494 ND2 ASN A 31 28.935 -5.047 8.627 1.00 0.00 N ATOM 0 H ASN A 31 29.525 -7.137 4.762 1.00 0.00 H new ATOM 0 HA ASN A 31 29.908 -4.857 6.381 1.00 0.00 H new ATOM 0 HB2 ASN A 31 29.211 -7.676 6.626 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.422 -7.299 7.837 1.00 0.00 H new ATOM 0 HD21 ASN A 31 28.292 -4.547 9.241 1.00 0.00 H new ATOM 0 HD22 ASN A 31 29.855 -4.655 8.424 1.00 0.00 H new ATOM 501 N LEU A 32 32.573 -6.564 5.640 1.00 0.00 N ATOM 502 CA LEU A 32 34.019 -6.644 5.805 1.00 0.00 C ATOM 503 C LEU A 32 34.676 -5.403 5.189 1.00 0.00 C ATOM 504 O LEU A 32 35.582 -4.812 5.751 1.00 0.00 O ATOM 505 CB LEU A 32 34.567 -7.896 5.084 1.00 0.00 C ATOM 506 CG LEU A 32 35.701 -8.624 5.829 1.00 0.00 C ATOM 507 CD1 LEU A 32 36.643 -7.701 6.613 1.00 0.00 C ATOM 508 CD2 LEU A 32 35.113 -9.695 6.743 1.00 0.00 C ATOM 0 H LEU A 32 32.198 -7.105 4.861 1.00 0.00 H new ATOM 0 HA LEU A 32 34.246 -6.703 6.870 1.00 0.00 H new ATOM 0 HB2 LEU A 32 33.746 -8.596 4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 32 34.928 -7.602 4.099 1.00 0.00 H new ATOM 0 HG LEU A 32 36.324 -9.081 5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 32 37.410 -8.298 7.106 1.00 0.00 H new ATOM 0 HD12 LEU A 32 37.115 -6.997 5.928 1.00 0.00 H new ATOM 0 HD13 LEU A 32 36.073 -7.152 7.363 1.00 0.00 H new ATOM 0 HD21 LEU A 32 35.919 -10.208 7.268 1.00 0.00 H new ATOM 0 HD22 LEU A 32 34.446 -9.228 7.468 1.00 0.00 H new ATOM 0 HD23 LEU A 32 34.553 -10.415 6.146 1.00 0.00 H new ATOM 520 N ALA A 33 34.148 -5.072 3.989 1.00 0.00 N ATOM 521 CA ALA A 33 34.628 -3.927 3.236 1.00 0.00 C ATOM 522 C ALA A 33 34.460 -2.623 4.013 1.00 0.00 C ATOM 523 O ALA A 33 35.388 -1.843 4.128 1.00 0.00 O ATOM 524 CB ALA A 33 33.860 -3.833 1.929 1.00 0.00 C ATOM 0 H ALA A 33 33.394 -5.588 3.536 1.00 0.00 H new ATOM 0 HA ALA A 33 35.692 -4.070 3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 33 34.216 -2.975 1.359 1.00 0.00 H new ATOM 0 HB2 ALA A 33 34.015 -4.743 1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 33 32.797 -3.713 2.139 1.00 0.00 H new ATOM 530 N ALA A 34 33.235 -2.451 4.554 1.00 0.00 N ATOM 531 CA ALA A 34 32.982 -1.304 5.415 1.00 0.00 C ATOM 532 C ALA A 34 33.948 -1.319 6.605 1.00 0.00 C ATOM 533 O ALA A 34 34.606 -0.333 6.885 1.00 0.00 O ATOM 534 CB ALA A 34 31.528 -1.304 5.891 1.00 0.00 C ATOM 0 H ALA A 34 32.440 -3.073 4.410 1.00 0.00 H new ATOM 0 HA ALA A 34 33.150 -0.390 4.846 1.00 0.00 H new ATOM 0 HB1 ALA A 34 31.355 -0.440 6.533 1.00 0.00 H new ATOM 0 HB2 ALA A 34 30.863 -1.254 5.029 1.00 0.00 H new ATOM 0 HB3 ALA A 34 31.328 -2.218 6.450 1.00 0.00 H new ATOM 540 N ASN A 35 34.056 -2.492 7.257 1.00 0.00 N ATOM 541 CA ASN A 35 34.977 -2.583 8.390 1.00 0.00 C ATOM 542 C ASN A 35 36.426 -2.190 8.029 1.00 0.00 C ATOM 543 O ASN A 35 37.134 -1.618 8.842 1.00 0.00 O ATOM 544 CB ASN A 35 34.974 -4.003 8.981 1.00 0.00 C ATOM 545 CG ASN A 35 34.968 -3.871 10.507 1.00 0.00 C ATOM 546 OD1 ASN A 35 35.964 -3.528 11.130 1.00 0.00 O ATOM 547 ND2 ASN A 35 33.731 -3.977 11.022 1.00 0.00 N ATOM 0 H ASN A 35 33.544 -3.345 7.031 1.00 0.00 H new ATOM 0 HA ASN A 35 34.614 -1.867 9.127 1.00 0.00 H new ATOM 0 HB2 ASN A 35 34.099 -4.557 8.641 1.00 0.00 H new ATOM 0 HB3 ASN A 35 35.851 -4.558 8.648 1.00 0.00 H new ATOM 0 HD21 ASN A 35 33.568 -3.763 12.006 1.00 0.00 H new ATOM 0 HD22 ASN A 35 32.955 -4.271 10.429 1.00 0.00 H new ATOM 554 N PHE A 36 36.803 -2.509 6.769 1.00 0.00 N ATOM 555 CA PHE A 36 38.129 -2.159 6.263 1.00 0.00 C ATOM 556 C PHE A 36 38.302 -0.628 6.258 1.00 0.00 C ATOM 557 O PHE A 36 39.234 -0.103 6.849 1.00 0.00 O ATOM 558 CB PHE A 36 38.329 -2.776 4.861 1.00 0.00 C ATOM 559 CG PHE A 36 39.699 -2.564 4.252 1.00 0.00 C ATOM 560 CD1 PHE A 36 40.113 -1.296 3.848 1.00 0.00 C ATOM 561 CD2 PHE A 36 40.557 -3.639 4.030 1.00 0.00 C ATOM 562 CE1 PHE A 36 41.333 -1.101 3.222 1.00 0.00 C ATOM 563 CE2 PHE A 36 41.790 -3.447 3.412 1.00 0.00 C ATOM 564 CZ PHE A 36 42.177 -2.178 3.004 1.00 0.00 C ATOM 0 H PHE A 36 36.210 -3.001 6.101 1.00 0.00 H new ATOM 0 HA PHE A 36 38.899 -2.570 6.916 1.00 0.00 H new ATOM 0 HB2 PHE A 36 38.138 -3.847 4.923 1.00 0.00 H new ATOM 0 HB3 PHE A 36 37.581 -2.358 4.188 1.00 0.00 H new ATOM 0 HD1 PHE A 36 39.469 -0.448 4.027 1.00 0.00 H new ATOM 0 HD2 PHE A 36 40.263 -4.631 4.340 1.00 0.00 H new ATOM 0 HE1 PHE A 36 41.626 -0.111 2.904 1.00 0.00 H new ATOM 0 HE2 PHE A 36 42.447 -4.288 3.250 1.00 0.00 H new ATOM 0 HZ PHE A 36 43.131 -2.031 2.519 1.00 0.00 H new ATOM 574 N LEU A 37 37.362 0.039 5.547 1.00 0.00 N ATOM 575 CA LEU A 37 37.508 1.462 5.266 1.00 0.00 C ATOM 576 C LEU A 37 37.356 2.341 6.531 1.00 0.00 C ATOM 577 O LEU A 37 37.948 3.409 6.639 1.00 0.00 O ATOM 578 CB LEU A 37 36.504 1.911 4.204 1.00 0.00 C ATOM 579 CG LEU A 37 36.671 1.252 2.820 1.00 0.00 C ATOM 580 CD1 LEU A 37 35.440 0.432 2.442 1.00 0.00 C ATOM 581 CD2 LEU A 37 36.984 2.267 1.703 1.00 0.00 C ATOM 0 H LEU A 37 36.515 -0.387 5.170 1.00 0.00 H new ATOM 0 HA LEU A 37 38.523 1.598 4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 37 35.498 1.704 4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 37 36.584 2.992 4.086 1.00 0.00 H new ATOM 0 HG LEU A 37 37.531 0.589 2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.590 -0.019 1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 37 35.284 -0.353 3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 37 34.565 1.082 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 37 37.090 1.742 0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 37 36.171 2.989 1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 37 37.913 2.789 1.935 1.00 0.00 H new ATOM 593 N LEU A 38 36.522 1.819 7.463 1.00 0.00 N ATOM 594 CA LEU A 38 36.163 2.555 8.671 1.00 0.00 C ATOM 595 C LEU A 38 37.257 2.380 9.746 1.00 0.00 C ATOM 596 O LEU A 38 37.446 3.223 10.612 1.00 0.00 O ATOM 597 CB LEU A 38 34.783 2.135 9.242 1.00 0.00 C ATOM 598 CG LEU A 38 33.569 2.043 8.278 1.00 0.00 C ATOM 599 CD1 LEU A 38 32.338 2.791 8.801 1.00 0.00 C ATOM 600 CD2 LEU A 38 33.856 2.520 6.858 1.00 0.00 C ATOM 0 H LEU A 38 36.094 0.896 7.390 1.00 0.00 H new ATOM 0 HA LEU A 38 36.086 3.606 8.391 1.00 0.00 H new ATOM 0 HB2 LEU A 38 34.904 1.160 9.713 1.00 0.00 H new ATOM 0 HB3 LEU A 38 34.524 2.841 10.031 1.00 0.00 H new ATOM 0 HG LEU A 38 33.362 0.974 8.239 1.00 0.00 H new ATOM 0 HD11 LEU A 38 31.521 2.692 8.086 1.00 0.00 H new ATOM 0 HD12 LEU A 38 32.035 2.368 9.759 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.581 3.846 8.930 1.00 0.00 H new ATOM 0 HD21 LEU A 38 32.955 2.422 6.252 1.00 0.00 H new ATOM 0 HD22 LEU A 38 34.166 3.565 6.881 1.00 0.00 H new ATOM 0 HD23 LEU A 38 34.653 1.915 6.425 1.00 0.00 H new ATOM 612 N SER A 39 37.964 1.233 9.609 1.00 0.00 N ATOM 613 CA SER A 39 39.058 0.889 10.509 1.00 0.00 C ATOM 614 C SER A 39 40.362 1.623 10.147 1.00 0.00 C ATOM 615 O SER A 39 41.293 1.640 10.941 1.00 0.00 O ATOM 616 CB SER A 39 39.273 -0.633 10.522 1.00 0.00 C ATOM 617 OG SER A 39 40.267 -1.009 11.461 1.00 0.00 O ATOM 0 H SER A 39 37.786 0.541 8.881 1.00 0.00 H new ATOM 0 HA SER A 39 38.778 1.218 11.510 1.00 0.00 H new ATOM 0 HB2 SER A 39 38.335 -1.132 10.764 1.00 0.00 H new ATOM 0 HB3 SER A 39 39.565 -0.969 9.527 1.00 0.00 H new ATOM 0 HG SER A 39 40.825 -0.232 11.675 1.00 0.00 H new