USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 488 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 32 ASN : amide:sc= -2.08! C(o=-4.4!,f=-27!) USER MOD Set 1.2: A 36 LYS NZ :NH3+ -113:sc= -2.33! (180deg=-5.35!) USER MOD Set 2.1: A 13 LYS NZ :NH3+ -132:sc= 0.263 (180deg=-1.54!) USER MOD Set 2.2: A 55 THR OG1 : rot 60:sc= -2.34! USER MOD Set 3.1: A 5 ASN : amide:sc= 0.912 K(o=0.97,f=-21!) USER MOD Set 3.2: A 7 LYS NZ :NH3+ 179:sc= 0.954! (180deg=0) USER MOD Set 3.3: A 40 ASN : amide:sc= -0.9! C(o=0.97!,f=-20!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -155:sc= 0.209 (180deg=-2.24!) USER MOD Single : A 16 SER OG : rot 90:sc= 1.04 USER MOD Single : A 17 GLN :FLIP amide:sc= -2.95! C(o=-3.8!,f=-3!) USER MOD Single : A 18 SER OG : rot 58:sc= 1.31 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0756 USER MOD Single : A 29 GLN : amide:sc= -3.7! C(o=-3.7!,f=-12!) USER MOD Single : A 30 THR OG1 : rot 86:sc= 0.541 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -153:sc= -0.347 (180deg=-1.9!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 93:sc= 0.793 USER MOD Single : A 44 GLN :FLIP amide:sc= 0 F(o=-0.94!,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -160:sc= -0.0444 (180deg=-0.448) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0634 X(o=-0.063,f=0) USER MOD ----------------------------------------------------------------- ATOM 70 N ASN A 5 4.754 6.267 -4.111 1.00 0.00 N ATOM 71 CA ASN A 5 3.574 5.920 -3.317 1.00 0.00 C ATOM 72 C ASN A 5 3.392 4.403 -3.233 1.00 0.00 C ATOM 73 O ASN A 5 3.381 3.712 -4.254 1.00 0.00 O ATOM 74 CB ASN A 5 2.322 6.566 -3.913 1.00 0.00 C ATOM 75 CG ASN A 5 1.844 7.686 -3.010 1.00 0.00 C ATOM 76 OD1 ASN A 5 0.909 7.501 -2.233 1.00 0.00 O ATOM 77 ND2 ASN A 5 2.431 8.836 -3.059 1.00 0.00 N ATOM 0 HA ASN A 5 3.725 6.302 -2.307 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.541 6.956 -4.907 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.536 5.819 -4.029 1.00 0.00 H new ATOM 0 HD21 ASN A 5 2.119 9.594 -2.452 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.206 8.986 -3.705 1.00 0.00 H new ATOM 84 N LEU A 6 3.226 3.889 -2.016 1.00 0.00 N ATOM 85 CA LEU A 6 3.076 2.450 -1.801 1.00 0.00 C ATOM 86 C LEU A 6 1.863 1.938 -2.560 1.00 0.00 C ATOM 87 O LEU A 6 1.925 0.910 -3.227 1.00 0.00 O ATOM 88 CB LEU A 6 2.942 2.150 -0.288 1.00 0.00 C ATOM 89 CG LEU A 6 2.788 0.630 -0.007 1.00 0.00 C ATOM 90 CD1 LEU A 6 1.334 0.195 -0.190 1.00 0.00 C ATOM 91 CD2 LEU A 6 3.686 -0.200 -0.932 1.00 0.00 C ATOM 0 H LEU A 6 3.192 4.447 -1.163 1.00 0.00 H new ATOM 0 HA LEU A 6 3.962 1.937 -2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.820 2.528 0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.079 2.682 0.112 1.00 0.00 H new ATOM 0 HG LEU A 6 3.092 0.456 1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.246 -0.873 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.699 0.748 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.019 0.399 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.556 -1.259 -0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.414 -0.010 -1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.728 0.078 -0.773 1.00 0.00 H new ATOM 103 N LYS A 7 0.783 2.695 -2.518 1.00 0.00 N ATOM 104 CA LYS A 7 -0.414 2.336 -3.266 1.00 0.00 C ATOM 105 C LYS A 7 -0.071 2.102 -4.731 1.00 0.00 C ATOM 106 O LYS A 7 -0.556 1.149 -5.345 1.00 0.00 O ATOM 107 CB LYS A 7 -1.478 3.435 -3.125 1.00 0.00 C ATOM 108 CG LYS A 7 -0.883 4.792 -3.549 1.00 0.00 C ATOM 109 CD LYS A 7 -1.827 5.924 -3.139 1.00 0.00 C ATOM 110 CE LYS A 7 -1.761 6.092 -1.612 1.00 0.00 C ATOM 111 NZ LYS A 7 -1.260 7.439 -1.264 1.00 0.00 N ATOM 0 H LYS A 7 0.706 3.557 -1.979 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.820 1.411 -2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.344 3.198 -3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.827 3.486 -2.094 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.092 4.933 -3.083 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.727 4.810 -4.628 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.541 6.852 -3.634 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.847 5.697 -3.451 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.750 5.942 -1.180 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.108 5.332 -1.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.237 7.544 -0.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.301 7.562 -1.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.890 8.160 -1.671 1.00 0.00 H new ATOM 125 N LEU A 8 0.805 2.944 -5.274 1.00 0.00 N ATOM 126 CA LEU A 8 1.248 2.781 -6.656 1.00 0.00 C ATOM 127 C LEU A 8 2.006 1.471 -6.799 1.00 0.00 C ATOM 128 O LEU A 8 1.779 0.699 -7.727 1.00 0.00 O ATOM 129 CB LEU A 8 2.140 3.948 -7.091 1.00 0.00 C ATOM 130 CG LEU A 8 1.338 5.256 -7.057 1.00 0.00 C ATOM 131 CD1 LEU A 8 2.221 6.423 -7.503 1.00 0.00 C ATOM 132 CD2 LEU A 8 0.107 5.151 -7.959 1.00 0.00 C ATOM 0 H LEU A 8 1.218 3.738 -4.784 1.00 0.00 H new ATOM 0 HA LEU A 8 0.368 2.768 -7.299 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.004 4.023 -6.431 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.522 3.771 -8.096 1.00 0.00 H new ATOM 0 HG LEU A 8 1.004 5.435 -6.035 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.644 7.347 -7.476 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.076 6.509 -6.832 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.573 6.245 -8.519 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.451 6.087 -7.924 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.422 4.955 -8.984 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.529 4.336 -7.613 1.00 0.00 H new ATOM 144 N ILE A 9 2.830 1.180 -5.817 1.00 0.00 N ATOM 145 CA ILE A 9 3.528 -0.087 -5.756 1.00 0.00 C ATOM 146 C ILE A 9 2.505 -1.202 -5.570 1.00 0.00 C ATOM 147 O ILE A 9 2.628 -2.287 -6.137 1.00 0.00 O ATOM 148 CB ILE A 9 4.557 -0.092 -4.611 1.00 0.00 C ATOM 149 CG1 ILE A 9 5.507 1.106 -4.758 1.00 0.00 C ATOM 150 CG2 ILE A 9 5.379 -1.392 -4.653 1.00 0.00 C ATOM 151 CD1 ILE A 9 6.263 1.014 -6.084 1.00 0.00 C ATOM 0 H ILE A 9 3.035 1.810 -5.042 1.00 0.00 H new ATOM 0 HA ILE A 9 4.075 -0.246 -6.685 1.00 0.00 H new ATOM 0 HB ILE A 9 4.026 -0.024 -3.661 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.941 2.037 -4.716 1.00 0.00 H new ATOM 0 HG13 ILE A 9 6.213 1.125 -3.928 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.105 -1.390 -3.840 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.713 -2.247 -4.542 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.902 -1.461 -5.607 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.934 1.867 -6.180 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.843 0.091 -6.109 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.551 1.018 -6.910 1.00 0.00 H new ATOM 163 N ARG A 10 1.536 -0.948 -4.712 1.00 0.00 N ATOM 164 CA ARG A 10 0.524 -1.934 -4.382 1.00 0.00 C ATOM 165 C ARG A 10 -0.237 -2.391 -5.622 1.00 0.00 C ATOM 166 O ARG A 10 -0.416 -3.598 -5.826 1.00 0.00 O ATOM 167 CB ARG A 10 -0.449 -1.353 -3.366 1.00 0.00 C ATOM 168 CG ARG A 10 -1.465 -2.408 -2.970 1.00 0.00 C ATOM 169 CD ARG A 10 -2.443 -1.814 -1.966 1.00 0.00 C ATOM 170 NE ARG A 10 -3.139 -0.658 -2.533 1.00 0.00 N ATOM 171 CZ ARG A 10 -4.069 -0.771 -3.485 1.00 0.00 C ATOM 172 NH1 ARG A 10 -4.320 -1.934 -4.020 1.00 0.00 N ATOM 173 NH2 ARG A 10 -4.707 0.288 -3.895 1.00 0.00 N ATOM 0 H ARG A 10 1.428 -0.058 -4.226 1.00 0.00 H new ATOM 0 HA ARG A 10 1.027 -2.803 -3.957 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.093 -1.007 -2.486 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.957 -0.486 -3.789 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.001 -2.762 -3.851 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.960 -3.271 -2.536 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.169 -2.571 -1.669 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.908 -1.515 -1.065 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.904 0.272 -2.187 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.806 -2.759 -3.711 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.031 -2.018 -4.747 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.496 1.200 -3.489 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.418 0.206 -4.622 1.00 0.00 H new ATOM 187 N GLU A 11 -0.628 -1.453 -6.487 1.00 0.00 N ATOM 188 CA GLU A 11 -1.298 -1.853 -7.717 1.00 0.00 C ATOM 189 C GLU A 11 -0.340 -2.645 -8.583 1.00 0.00 C ATOM 190 O GLU A 11 -0.698 -3.683 -9.146 1.00 0.00 O ATOM 191 CB GLU A 11 -1.901 -0.659 -8.487 1.00 0.00 C ATOM 192 CG GLU A 11 -0.864 0.456 -8.688 1.00 0.00 C ATOM 193 CD GLU A 11 -1.478 1.613 -9.458 1.00 0.00 C ATOM 194 OE1 GLU A 11 -2.611 1.950 -9.183 1.00 0.00 O ATOM 195 OE2 GLU A 11 -0.820 2.147 -10.319 1.00 0.00 O ATOM 0 H GLU A 11 -0.497 -0.449 -6.364 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.143 -2.486 -7.445 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.268 -0.996 -9.456 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.759 -0.267 -7.941 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.503 0.805 -7.721 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.001 0.067 -9.229 1.00 0.00 H new ATOM 202 N LYS A 12 0.919 -2.244 -8.555 1.00 0.00 N ATOM 203 CA LYS A 12 1.962 -3.002 -9.206 1.00 0.00 C ATOM 204 C LYS A 12 2.073 -4.369 -8.550 1.00 0.00 C ATOM 205 O LYS A 12 2.159 -5.388 -9.230 1.00 0.00 O ATOM 206 CB LYS A 12 3.288 -2.255 -9.128 1.00 0.00 C ATOM 207 CG LYS A 12 3.178 -1.001 -9.989 1.00 0.00 C ATOM 208 CD LYS A 12 4.488 -0.238 -9.967 1.00 0.00 C ATOM 209 CE LYS A 12 4.333 1.003 -10.843 1.00 0.00 C ATOM 210 NZ LYS A 12 5.619 1.735 -10.925 1.00 0.00 N ATOM 0 H LYS A 12 1.240 -1.396 -8.087 1.00 0.00 H new ATOM 0 HA LYS A 12 1.713 -3.133 -10.259 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.515 -1.989 -8.096 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.103 -2.888 -9.480 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.925 -1.275 -11.013 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.372 -0.366 -9.620 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.745 0.047 -8.947 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.299 -0.865 -10.337 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.007 0.714 -11.842 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.561 1.654 -10.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.501 2.577 -11.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.914 2.026 -9.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.345 1.116 -11.338 1.00 0.00 H new ATOM 224 N LYS A 13 1.954 -4.392 -7.222 1.00 0.00 N ATOM 225 CA LYS A 13 1.924 -5.647 -6.477 1.00 0.00 C ATOM 226 C LYS A 13 0.600 -6.382 -6.714 1.00 0.00 C ATOM 227 O LYS A 13 0.400 -7.492 -6.220 1.00 0.00 O ATOM 228 CB LYS A 13 2.192 -5.422 -4.974 1.00 0.00 C ATOM 229 CG LYS A 13 2.628 -6.756 -4.322 1.00 0.00 C ATOM 230 CD LYS A 13 3.892 -6.556 -3.463 1.00 0.00 C ATOM 231 CE LYS A 13 5.147 -6.705 -4.347 1.00 0.00 C ATOM 232 NZ LYS A 13 6.291 -5.965 -3.746 1.00 0.00 N ATOM 0 H LYS A 13 1.877 -3.556 -6.643 1.00 0.00 H new ATOM 0 HA LYS A 13 2.730 -6.280 -6.849 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.969 -4.669 -4.841 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.294 -5.043 -4.486 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.820 -7.145 -3.703 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.822 -7.498 -5.096 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.876 -5.570 -2.999 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.915 -7.288 -2.655 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.402 -7.759 -4.454 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.943 -6.324 -5.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.750 -5.383 -4.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.944 -5.351 -2.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.979 -6.643 -3.361 1.00 0.00 H new ATOM 246 N LYS A 14 -0.264 -5.765 -7.522 1.00 0.00 N ATOM 247 CA LYS A 14 -1.547 -6.337 -7.963 1.00 0.00 C ATOM 248 C LYS A 14 -2.428 -6.847 -6.823 1.00 0.00 C ATOM 249 O LYS A 14 -3.230 -7.776 -7.016 1.00 0.00 O ATOM 250 CB LYS A 14 -1.339 -7.423 -9.047 1.00 0.00 C ATOM 251 CG LYS A 14 -0.737 -8.705 -8.438 1.00 0.00 C ATOM 252 CD LYS A 14 0.757 -8.812 -8.802 1.00 0.00 C ATOM 253 CE LYS A 14 1.408 -9.941 -7.985 1.00 0.00 C ATOM 254 NZ LYS A 14 1.136 -9.730 -6.534 1.00 0.00 N ATOM 0 H LYS A 14 -0.092 -4.833 -7.899 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.098 -5.507 -8.406 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.292 -7.655 -9.522 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.679 -7.042 -9.826 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.856 -8.693 -7.355 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.273 -9.579 -8.808 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.869 -9.010 -9.868 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.260 -7.866 -8.599 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.014 -10.907 -8.302 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.483 -9.960 -8.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.877 -10.194 -5.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.131 -8.711 -6.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.210 -10.138 -6.291 1.00 0.00 H new ATOM 268 N ILE A 15 -2.400 -6.162 -5.697 1.00 0.00 N ATOM 269 CA ILE A 15 -3.297 -6.498 -4.598 1.00 0.00 C ATOM 270 C ILE A 15 -4.173 -5.308 -4.206 1.00 0.00 C ATOM 271 O ILE A 15 -3.670 -4.238 -3.834 1.00 0.00 O ATOM 272 CB ILE A 15 -2.516 -7.054 -3.396 1.00 0.00 C ATOM 273 CG1 ILE A 15 -1.367 -6.119 -3.023 1.00 0.00 C ATOM 274 CG2 ILE A 15 -1.947 -8.431 -3.736 1.00 0.00 C ATOM 275 CD1 ILE A 15 -0.700 -6.635 -1.746 1.00 0.00 C ATOM 0 H ILE A 15 -1.775 -5.377 -5.515 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.966 -7.286 -4.944 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.201 -7.135 -2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.641 -6.072 -3.835 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.740 -5.106 -2.870 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.395 -8.818 -2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.763 -9.112 -3.980 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.277 -8.347 -4.591 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.122 -5.974 -1.472 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.431 -6.659 -0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.315 -7.640 -1.917 1.00 0.00 H new ATOM 287 N SER A 16 -5.472 -5.504 -4.298 1.00 0.00 N ATOM 288 CA SER A 16 -6.444 -4.468 -3.991 1.00 0.00 C ATOM 289 C SER A 16 -6.701 -4.388 -2.500 1.00 0.00 C ATOM 290 O SER A 16 -6.266 -5.247 -1.729 1.00 0.00 O ATOM 291 CB SER A 16 -7.749 -4.726 -4.743 1.00 0.00 C ATOM 292 OG SER A 16 -7.454 -5.417 -5.958 1.00 0.00 O ATOM 0 H SER A 16 -5.888 -6.389 -4.589 1.00 0.00 H new ATOM 0 HA SER A 16 -6.034 -3.511 -4.315 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.428 -5.317 -4.128 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.253 -3.784 -4.958 1.00 0.00 H new ATOM 0 HG SER A 16 -7.475 -6.384 -5.798 1.00 0.00 H new ATOM 298 N GLN A 17 -7.435 -3.375 -2.097 1.00 0.00 N ATOM 299 CA GLN A 17 -7.738 -3.165 -0.695 1.00 0.00 C ATOM 300 C GLN A 17 -8.406 -4.396 -0.112 1.00 0.00 C ATOM 301 O GLN A 17 -8.099 -4.809 1.009 1.00 0.00 O ATOM 302 CB GLN A 17 -8.656 -1.958 -0.554 1.00 0.00 C ATOM 303 CG GLN A 17 -7.900 -0.706 -1.001 1.00 0.00 C ATOM 304 CD GLN A 17 -8.815 0.508 -0.989 1.00 0.00 C ATOM 305 OE1 GLN A 17 -10.053 0.384 -0.627 1.00 0.00 O flip ATOM 306 NE2 GLN A 17 -8.375 1.608 -1.314 1.00 0.00 N flip ATOM 0 H GLN A 17 -7.837 -2.678 -2.724 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.811 -2.983 -0.150 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.552 -2.093 -1.159 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.983 -1.852 0.480 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.050 -0.533 -0.341 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.499 -0.856 -2.004 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.400 1.704 -1.599 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.984 2.426 -1.299 1.00 0.00 H new ATOM 315 N SER A 18 -9.261 -5.021 -0.900 1.00 0.00 N ATOM 316 CA SER A 18 -9.912 -6.241 -0.481 1.00 0.00 C ATOM 317 C SER A 18 -8.875 -7.318 -0.185 1.00 0.00 C ATOM 318 O SER A 18 -8.944 -7.987 0.852 1.00 0.00 O ATOM 319 CB SER A 18 -10.890 -6.715 -1.563 1.00 0.00 C ATOM 320 OG SER A 18 -10.400 -6.332 -2.859 1.00 0.00 O ATOM 0 H SER A 18 -9.519 -4.701 -1.834 1.00 0.00 H new ATOM 0 HA SER A 18 -10.474 -6.046 0.432 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.006 -7.798 -1.513 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.875 -6.280 -1.393 1.00 0.00 H new ATOM 0 HG SER A 18 -9.507 -6.713 -2.997 1.00 0.00 H new ATOM 326 N GLU A 19 -7.858 -7.418 -1.045 1.00 0.00 N ATOM 327 CA GLU A 19 -6.776 -8.355 -0.815 1.00 0.00 C ATOM 328 C GLU A 19 -6.026 -7.964 0.438 1.00 0.00 C ATOM 329 O GLU A 19 -5.772 -8.797 1.303 1.00 0.00 O ATOM 330 CB GLU A 19 -5.796 -8.374 -2.002 1.00 0.00 C ATOM 331 CG GLU A 19 -6.452 -9.015 -3.232 1.00 0.00 C ATOM 332 CD GLU A 19 -7.221 -7.988 -4.036 1.00 0.00 C ATOM 333 OE1 GLU A 19 -8.322 -7.644 -3.641 1.00 0.00 O ATOM 334 OE2 GLU A 19 -6.706 -7.561 -5.044 1.00 0.00 O ATOM 0 H GLU A 19 -7.769 -6.864 -1.897 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.207 -9.350 -0.703 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.483 -7.357 -2.238 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.898 -8.929 -1.731 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.687 -9.474 -3.859 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.125 -9.812 -2.915 1.00 0.00 H new ATOM 341 N LEU A 20 -5.767 -6.669 0.585 1.00 0.00 N ATOM 342 CA LEU A 20 -5.084 -6.183 1.779 1.00 0.00 C ATOM 343 C LEU A 20 -5.913 -6.494 3.004 1.00 0.00 C ATOM 344 O LEU A 20 -5.404 -7.024 3.994 1.00 0.00 O ATOM 345 CB LEU A 20 -4.824 -4.673 1.694 1.00 0.00 C ATOM 346 CG LEU A 20 -3.533 -4.391 0.904 1.00 0.00 C ATOM 347 CD1 LEU A 20 -3.680 -4.822 -0.555 1.00 0.00 C ATOM 348 CD2 LEU A 20 -3.218 -2.895 0.964 1.00 0.00 C ATOM 0 H LEU A 20 -6.014 -5.949 -0.094 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.121 -6.689 1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.668 -4.180 1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.742 -4.255 2.697 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.720 -4.963 1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.755 -4.612 -1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.891 -5.891 -0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.500 -4.271 -1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.304 -2.693 0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.043 -2.332 0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.083 -2.593 2.003 1.00 0.00 H new ATOM 360 N ALA A 21 -7.209 -6.259 2.909 1.00 0.00 N ATOM 361 CA ALA A 21 -8.092 -6.617 3.997 1.00 0.00 C ATOM 362 C ALA A 21 -8.111 -8.120 4.173 1.00 0.00 C ATOM 363 O ALA A 21 -8.113 -8.620 5.294 1.00 0.00 O ATOM 364 CB ALA A 21 -9.506 -6.083 3.781 1.00 0.00 C ATOM 0 H ALA A 21 -7.665 -5.830 2.104 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.708 -6.154 4.906 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.137 -6.374 4.621 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.477 -4.996 3.708 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.915 -6.497 2.859 1.00 0.00 H new ATOM 370 N ALA A 22 -8.080 -8.841 3.069 1.00 0.00 N ATOM 371 CA ALA A 22 -8.064 -10.295 3.120 1.00 0.00 C ATOM 372 C ALA A 22 -6.837 -10.773 3.872 1.00 0.00 C ATOM 373 O ALA A 22 -6.901 -11.731 4.634 1.00 0.00 O ATOM 374 CB ALA A 22 -8.081 -10.892 1.711 1.00 0.00 C ATOM 0 H ALA A 22 -8.065 -8.448 2.128 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.960 -10.630 3.643 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.069 -11.980 1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.983 -10.570 1.190 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.204 -10.552 1.161 1.00 0.00 H new ATOM 380 N LEU A 23 -5.734 -10.072 3.679 1.00 0.00 N ATOM 381 CA LEU A 23 -4.472 -10.412 4.336 1.00 0.00 C ATOM 382 C LEU A 23 -4.575 -10.300 5.855 1.00 0.00 C ATOM 383 O LEU A 23 -3.859 -10.997 6.577 1.00 0.00 O ATOM 384 CB LEU A 23 -3.320 -9.528 3.827 1.00 0.00 C ATOM 385 CG LEU A 23 -3.013 -9.843 2.359 1.00 0.00 C ATOM 386 CD1 LEU A 23 -1.962 -8.864 1.829 1.00 0.00 C ATOM 387 CD2 LEU A 23 -2.490 -11.273 2.228 1.00 0.00 C ATOM 0 H LEU A 23 -5.681 -9.256 3.069 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.258 -11.450 4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.587 -8.476 3.932 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.430 -9.693 4.435 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.929 -9.743 1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.747 -9.091 0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.341 -7.845 1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.049 -8.957 2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.275 -11.487 1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.578 -11.382 2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.243 -11.971 2.594 1.00 0.00 H new ATOM 399 N LEU A 24 -5.316 -9.302 6.330 1.00 0.00 N ATOM 400 CA LEU A 24 -5.344 -8.986 7.766 1.00 0.00 C ATOM 401 C LEU A 24 -6.144 -10.017 8.567 1.00 0.00 C ATOM 402 O LEU A 24 -5.815 -10.300 9.717 1.00 0.00 O ATOM 403 CB LEU A 24 -5.927 -7.589 8.002 1.00 0.00 C ATOM 404 CG LEU A 24 -5.054 -6.525 7.312 1.00 0.00 C ATOM 405 CD1 LEU A 24 -5.681 -5.139 7.497 1.00 0.00 C ATOM 406 CD2 LEU A 24 -3.647 -6.529 7.911 1.00 0.00 C ATOM 0 H LEU A 24 -5.902 -8.700 5.752 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.312 -9.014 8.115 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.945 -7.542 7.615 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.983 -7.386 9.072 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.992 -6.758 6.249 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.059 -4.390 7.007 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.678 -5.129 7.056 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.753 -4.911 8.561 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.038 -5.773 7.415 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.705 -6.307 8.977 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.194 -7.510 7.768 1.00 0.00 H new ATOM 418 N GLU A 25 -7.144 -10.623 7.937 1.00 0.00 N ATOM 419 CA GLU A 25 -7.928 -11.695 8.578 1.00 0.00 C ATOM 420 C GLU A 25 -8.471 -11.249 9.962 1.00 0.00 C ATOM 421 O GLU A 25 -8.488 -12.034 10.917 1.00 0.00 O ATOM 422 CB GLU A 25 -7.044 -12.948 8.735 1.00 0.00 C ATOM 423 CG GLU A 25 -6.570 -13.431 7.349 1.00 0.00 C ATOM 424 CD GLU A 25 -5.648 -14.634 7.476 1.00 0.00 C ATOM 425 OE1 GLU A 25 -5.506 -15.154 8.561 1.00 0.00 O ATOM 426 OE2 GLU A 25 -5.090 -15.033 6.484 1.00 0.00 O ATOM 0 H GLU A 25 -7.437 -10.398 6.986 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.785 -11.923 7.944 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.184 -12.721 9.365 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.604 -13.739 9.234 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.433 -13.693 6.737 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.049 -12.622 6.837 1.00 0.00 H new ATOM 433 N VAL A 26 -8.892 -9.990 10.050 1.00 0.00 N ATOM 434 CA VAL A 26 -9.413 -9.396 11.297 1.00 0.00 C ATOM 435 C VAL A 26 -10.606 -8.486 10.998 1.00 0.00 C ATOM 436 O VAL A 26 -11.049 -8.420 9.888 1.00 0.00 O ATOM 437 CB VAL A 26 -8.317 -8.608 12.050 1.00 0.00 C ATOM 438 CG1 VAL A 26 -7.380 -9.579 12.761 1.00 0.00 C ATOM 439 CG2 VAL A 26 -7.505 -7.743 11.075 1.00 0.00 C ATOM 0 H VAL A 26 -8.885 -9.344 9.261 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.741 -10.213 11.940 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.800 -7.959 12.780 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.609 -9.019 13.290 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.948 -10.177 13.474 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.912 -10.236 12.028 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.739 -7.196 11.625 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.031 -8.382 10.330 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.168 -7.036 10.577 1.00 0.00 H new ATOM 449 N SER A 27 -11.086 -7.768 11.987 1.00 0.00 N ATOM 450 CA SER A 27 -12.188 -6.807 11.799 1.00 0.00 C ATOM 451 C SER A 27 -11.876 -5.766 10.688 1.00 0.00 C ATOM 452 O SER A 27 -12.708 -4.883 10.396 1.00 0.00 O ATOM 453 CB SER A 27 -12.512 -6.105 13.110 1.00 0.00 C ATOM 454 OG SER A 27 -12.338 -7.029 14.184 1.00 0.00 O ATOM 0 H SER A 27 -10.738 -7.821 12.944 1.00 0.00 H new ATOM 0 HA SER A 27 -13.060 -7.375 11.474 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.861 -5.242 13.246 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.536 -5.733 13.095 1.00 0.00 H new ATOM 0 HG SER A 27 -12.543 -6.585 15.034 1.00 0.00 H new ATOM 460 N ARG A 28 -10.615 -5.742 10.236 1.00 0.00 N ATOM 461 CA ARG A 28 -10.086 -4.680 9.357 1.00 0.00 C ATOM 462 C ARG A 28 -11.078 -4.204 8.298 1.00 0.00 C ATOM 463 O ARG A 28 -11.047 -3.039 7.915 1.00 0.00 O ATOM 464 CB ARG A 28 -8.787 -5.154 8.649 1.00 0.00 C ATOM 465 CG ARG A 28 -9.114 -6.099 7.462 1.00 0.00 C ATOM 466 CD ARG A 28 -9.717 -7.407 7.990 1.00 0.00 C ATOM 467 NE ARG A 28 -9.670 -8.470 6.984 1.00 0.00 N ATOM 468 CZ ARG A 28 -10.444 -9.570 7.045 1.00 0.00 C ATOM 469 NH1 ARG A 28 -11.284 -9.732 8.016 1.00 0.00 N ATOM 470 NH2 ARG A 28 -10.346 -10.476 6.125 1.00 0.00 N ATOM 0 H ARG A 28 -9.928 -6.459 10.468 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.882 -3.835 10.014 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.229 -4.290 8.288 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.147 -5.670 9.364 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.814 -5.614 6.781 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.209 -6.309 6.892 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.174 -7.724 8.880 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.751 -7.236 8.291 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.022 -8.373 6.202 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.364 -9.023 8.745 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.866 -10.569 8.053 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.684 -10.355 5.358 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.930 -11.311 6.167 1.00 0.00 H new ATOM 484 N GLN A 29 -11.964 -5.075 7.835 1.00 0.00 N ATOM 485 CA GLN A 29 -12.919 -4.665 6.809 1.00 0.00 C ATOM 486 C GLN A 29 -13.633 -3.412 7.261 1.00 0.00 C ATOM 487 O GLN A 29 -13.928 -2.521 6.461 1.00 0.00 O ATOM 488 CB GLN A 29 -13.951 -5.763 6.546 1.00 0.00 C ATOM 489 CG GLN A 29 -13.256 -7.051 6.102 1.00 0.00 C ATOM 490 CD GLN A 29 -13.355 -8.064 7.213 1.00 0.00 C ATOM 491 OE1 GLN A 29 -12.988 -7.758 8.349 1.00 0.00 O ATOM 492 NE2 GLN A 29 -13.825 -9.246 6.973 1.00 0.00 N ATOM 0 H GLN A 29 -12.044 -6.045 8.141 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.370 -4.476 5.886 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.533 -5.948 7.449 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -14.651 -5.436 5.777 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.722 -7.438 5.196 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.211 -6.853 5.864 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.127 -9.493 6.031 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.893 -9.930 7.726 1.00 0.00 H new ATOM 501 N THR A 30 -13.912 -3.350 8.548 1.00 0.00 N ATOM 502 CA THR A 30 -14.614 -2.224 9.106 1.00 0.00 C ATOM 503 C THR A 30 -13.783 -0.940 8.923 1.00 0.00 C ATOM 504 O THR A 30 -14.265 0.046 8.361 1.00 0.00 O ATOM 505 CB THR A 30 -14.886 -2.497 10.597 1.00 0.00 C ATOM 506 OG1 THR A 30 -15.348 -3.843 10.743 1.00 0.00 O ATOM 507 CG2 THR A 30 -15.964 -1.542 11.114 1.00 0.00 C ATOM 0 H THR A 30 -13.660 -4.071 9.224 1.00 0.00 H new ATOM 0 HA THR A 30 -15.564 -2.083 8.590 1.00 0.00 H new ATOM 0 HB THR A 30 -13.969 -2.347 11.166 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.579 -4.446 10.820 1.00 0.00 H new ATOM 0 HG21 THR A 30 -16.151 -1.741 12.169 1.00 0.00 H new ATOM 0 HG22 THR A 30 -15.626 -0.513 10.993 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.884 -1.691 10.548 1.00 0.00 H new ATOM 515 N ILE A 31 -12.512 -0.985 9.323 1.00 0.00 N ATOM 516 CA ILE A 31 -11.600 0.136 9.086 1.00 0.00 C ATOM 517 C ILE A 31 -11.296 0.289 7.591 1.00 0.00 C ATOM 518 O ILE A 31 -11.149 1.400 7.085 1.00 0.00 O ATOM 519 CB ILE A 31 -10.279 -0.055 9.859 1.00 0.00 C ATOM 520 CG1 ILE A 31 -10.523 0.021 11.364 1.00 0.00 C ATOM 521 CG2 ILE A 31 -9.266 1.038 9.476 1.00 0.00 C ATOM 522 CD1 ILE A 31 -9.225 -0.341 12.089 1.00 0.00 C ATOM 0 H ILE A 31 -12.093 -1.778 9.809 1.00 0.00 H new ATOM 0 HA ILE A 31 -12.094 1.039 9.443 1.00 0.00 H new ATOM 0 HB ILE A 31 -9.882 -1.036 9.597 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.846 1.024 11.645 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -11.321 -0.663 11.653 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.340 0.887 10.031 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -9.061 0.985 8.407 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -9.679 2.017 9.718 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -9.384 -0.291 13.166 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.924 -1.352 11.813 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -8.441 0.361 11.805 1.00 0.00 H new ATOM 534 N ASN A 32 -11.039 -0.844 6.944 1.00 0.00 N ATOM 535 CA ASN A 32 -10.465 -0.877 5.600 1.00 0.00 C ATOM 536 C ASN A 32 -11.137 0.089 4.652 1.00 0.00 C ATOM 537 O ASN A 32 -10.450 0.821 3.928 1.00 0.00 O ATOM 538 CB ASN A 32 -10.545 -2.300 5.030 1.00 0.00 C ATOM 539 CG ASN A 32 -9.927 -2.368 3.635 1.00 0.00 C ATOM 540 OD1 ASN A 32 -8.901 -1.735 3.372 1.00 0.00 O ATOM 541 ND2 ASN A 32 -10.482 -3.104 2.726 1.00 0.00 N ATOM 0 H ASN A 32 -11.223 -1.767 7.336 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.424 -0.567 5.693 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.027 -2.991 5.695 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -11.586 -2.620 4.986 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.071 -3.160 1.794 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.330 -3.628 2.942 1.00 0.00 H new ATOM 548 N GLY A 33 -12.454 0.096 4.647 1.00 0.00 N ATOM 549 CA GLY A 33 -13.197 0.970 3.751 1.00 0.00 C ATOM 550 C GLY A 33 -12.940 2.441 4.050 1.00 0.00 C ATOM 551 O GLY A 33 -12.650 3.223 3.137 1.00 0.00 O ATOM 0 H GLY A 33 -13.033 -0.489 5.249 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.917 0.755 2.720 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.263 0.762 3.842 1.00 0.00 H new ATOM 555 N ILE A 34 -13.063 2.831 5.315 1.00 0.00 N ATOM 556 CA ILE A 34 -12.868 4.234 5.673 1.00 0.00 C ATOM 557 C ILE A 34 -11.394 4.569 5.770 1.00 0.00 C ATOM 558 O ILE A 34 -11.006 5.740 5.680 1.00 0.00 O ATOM 559 CB ILE A 34 -13.558 4.587 6.997 1.00 0.00 C ATOM 560 CG1 ILE A 34 -12.840 3.931 8.179 1.00 0.00 C ATOM 561 CG2 ILE A 34 -15.006 4.098 6.968 1.00 0.00 C ATOM 562 CD1 ILE A 34 -13.223 4.678 9.455 1.00 0.00 C ATOM 0 H ILE A 34 -13.291 2.213 6.094 1.00 0.00 H new ATOM 0 HA ILE A 34 -13.322 4.827 4.879 1.00 0.00 H new ATOM 0 HB ILE A 34 -13.527 5.670 7.118 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -13.120 2.881 8.257 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.761 3.963 8.031 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -15.494 4.350 7.910 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -15.536 4.578 6.145 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -15.022 3.017 6.829 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -12.720 4.223 10.308 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -12.921 5.722 9.370 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -14.302 4.623 9.599 1.00 0.00 H new ATOM 574 N GLU A 35 -10.582 3.546 6.010 1.00 0.00 N ATOM 575 CA GLU A 35 -9.162 3.733 6.222 1.00 0.00 C ATOM 576 C GLU A 35 -8.583 4.483 5.052 1.00 0.00 C ATOM 577 O GLU A 35 -7.915 5.497 5.219 1.00 0.00 O ATOM 578 CB GLU A 35 -8.480 2.353 6.303 1.00 0.00 C ATOM 579 CG GLU A 35 -6.981 2.502 6.603 1.00 0.00 C ATOM 580 CD GLU A 35 -6.280 1.153 6.538 1.00 0.00 C ATOM 581 OE1 GLU A 35 -6.876 0.212 6.045 1.00 0.00 O ATOM 582 OE2 GLU A 35 -5.151 1.082 6.962 1.00 0.00 O ATOM 0 H GLU A 35 -10.891 2.575 6.062 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.999 4.290 7.144 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.953 1.754 7.081 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.616 1.819 5.362 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.528 3.187 5.886 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.845 2.940 7.592 1.00 0.00 H new ATOM 589 N LYS A 36 -8.873 3.991 3.866 1.00 0.00 N ATOM 590 CA LYS A 36 -8.387 4.594 2.644 1.00 0.00 C ATOM 591 C LYS A 36 -9.111 5.894 2.380 1.00 0.00 C ATOM 592 O LYS A 36 -8.529 6.849 1.865 1.00 0.00 O ATOM 593 CB LYS A 36 -8.593 3.644 1.462 1.00 0.00 C ATOM 594 CG LYS A 36 -8.297 2.204 1.898 1.00 0.00 C ATOM 595 CD LYS A 36 -6.882 2.093 2.475 1.00 0.00 C ATOM 596 CE LYS A 36 -6.632 0.645 2.908 1.00 0.00 C ATOM 597 NZ LYS A 36 -7.723 0.212 3.822 1.00 0.00 N ATOM 0 H LYS A 36 -9.451 3.163 3.722 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.321 4.793 2.759 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.617 3.720 1.096 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.938 3.926 0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.025 1.888 2.645 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.402 1.532 1.046 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.147 2.395 1.729 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.768 2.765 3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.593 -0.007 2.035 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.668 0.564 3.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.337 0.060 4.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.458 0.947 3.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.138 -0.675 3.471 1.00 0.00 H new ATOM 611 N ASN A 37 -10.413 5.896 2.645 1.00 0.00 N ATOM 612 CA ASN A 37 -11.223 7.072 2.371 1.00 0.00 C ATOM 613 C ASN A 37 -10.753 8.232 3.212 1.00 0.00 C ATOM 614 O ASN A 37 -10.626 9.358 2.722 1.00 0.00 O ATOM 615 CB ASN A 37 -12.697 6.804 2.687 1.00 0.00 C ATOM 616 CG ASN A 37 -13.512 8.061 2.410 1.00 0.00 C ATOM 617 OD1 ASN A 37 -13.522 8.561 1.283 1.00 0.00 O ATOM 618 ND2 ASN A 37 -14.181 8.621 3.371 1.00 0.00 N ATOM 0 H ASN A 37 -10.922 5.107 3.044 1.00 0.00 H new ATOM 0 HA ASN A 37 -11.119 7.310 1.313 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -13.066 5.977 2.080 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -12.808 6.508 3.730 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -14.713 9.473 3.193 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -14.174 8.209 4.304 1.00 0.00 H new ATOM 625 N LYS A 38 -10.513 7.964 4.486 1.00 0.00 N ATOM 626 CA LYS A 38 -10.070 9.002 5.395 1.00 0.00 C ATOM 627 C LYS A 38 -8.567 9.175 5.372 1.00 0.00 C ATOM 628 O LYS A 38 -8.061 10.298 5.342 1.00 0.00 O ATOM 629 CB LYS A 38 -10.528 8.701 6.820 1.00 0.00 C ATOM 630 CG LYS A 38 -12.042 8.860 6.910 1.00 0.00 C ATOM 631 CD LYS A 38 -12.497 8.673 8.360 1.00 0.00 C ATOM 632 CE LYS A 38 -13.758 9.500 8.590 1.00 0.00 C ATOM 633 NZ LYS A 38 -13.459 10.922 8.318 1.00 0.00 N ATOM 0 H LYS A 38 -10.617 7.042 4.909 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.522 9.934 5.056 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.241 7.687 7.100 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.038 9.376 7.521 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.335 9.847 6.551 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.533 8.129 6.268 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.694 7.620 8.561 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.710 8.986 9.046 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.560 9.153 7.938 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.106 9.378 9.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.098 11.524 8.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.474 11.126 8.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.594 11.118 7.306 1.00 0.00 H new ATOM 647 N TYR A 39 -7.859 8.074 5.500 1.00 0.00 N ATOM 648 CA TYR A 39 -6.408 8.101 5.623 1.00 0.00 C ATOM 649 C TYR A 39 -5.747 7.417 4.443 1.00 0.00 C ATOM 650 O TYR A 39 -6.416 6.846 3.575 1.00 0.00 O ATOM 651 CB TYR A 39 -5.984 7.363 6.901 1.00 0.00 C ATOM 652 CG TYR A 39 -6.913 7.705 8.038 1.00 0.00 C ATOM 653 CD1 TYR A 39 -6.726 8.881 8.773 1.00 0.00 C ATOM 654 CD2 TYR A 39 -7.962 6.836 8.358 1.00 0.00 C ATOM 655 CE1 TYR A 39 -7.589 9.188 9.830 1.00 0.00 C ATOM 656 CE2 TYR A 39 -8.824 7.139 9.412 1.00 0.00 C ATOM 657 CZ TYR A 39 -8.638 8.316 10.150 1.00 0.00 C ATOM 658 OH TYR A 39 -9.483 8.609 11.190 1.00 0.00 O ATOM 0 H TYR A 39 -8.264 7.138 5.522 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.096 9.145 5.657 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.993 6.287 6.727 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -4.962 7.635 7.164 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -5.916 9.551 8.524 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -8.104 5.930 7.788 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -7.447 10.095 10.398 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -9.633 6.468 9.659 1.00 0.00 H new ATOM 0 HH TYR A 39 -10.155 7.901 11.275 1.00 0.00 H new ATOM 668 N ASN A 40 -4.448 7.268 4.556 1.00 0.00 N ATOM 669 CA ASN A 40 -3.715 6.362 3.700 1.00 0.00 C ATOM 670 C ASN A 40 -3.617 5.035 4.445 1.00 0.00 C ATOM 671 O ASN A 40 -4.077 4.947 5.593 1.00 0.00 O ATOM 672 CB ASN A 40 -2.326 6.919 3.375 1.00 0.00 C ATOM 673 CG ASN A 40 -2.314 7.460 1.951 1.00 0.00 C ATOM 674 OD1 ASN A 40 -1.640 6.906 1.076 1.00 0.00 O ATOM 675 ND2 ASN A 40 -3.019 8.513 1.658 1.00 0.00 N ATOM 0 H ASN A 40 -3.873 7.765 5.236 1.00 0.00 H new ATOM 0 HA ASN A 40 -4.225 6.230 2.746 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -2.067 7.711 4.078 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.575 6.137 3.484 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.015 8.881 0.707 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.576 8.971 2.380 1.00 0.00 H new ATOM 682 N PRO A 41 -3.122 3.991 3.837 1.00 0.00 N ATOM 683 CA PRO A 41 -3.113 2.667 4.541 1.00 0.00 C ATOM 684 C PRO A 41 -2.364 2.785 5.864 1.00 0.00 C ATOM 685 O PRO A 41 -1.317 3.442 5.936 1.00 0.00 O ATOM 686 CB PRO A 41 -2.345 1.748 3.573 1.00 0.00 C ATOM 687 CG PRO A 41 -2.441 2.435 2.253 1.00 0.00 C ATOM 688 CD PRO A 41 -2.351 3.917 2.584 1.00 0.00 C ATOM 0 HA PRO A 41 -4.112 2.298 4.775 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.307 1.625 3.882 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.787 0.752 3.536 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.635 2.128 1.587 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.378 2.197 1.750 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.320 4.245 2.718 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.784 4.538 1.800 1.00 0.00 H new ATOM 696 N SER A 42 -2.893 2.170 6.901 1.00 0.00 N ATOM 697 CA SER A 42 -2.258 2.234 8.198 1.00 0.00 C ATOM 698 C SER A 42 -0.963 1.432 8.161 1.00 0.00 C ATOM 699 O SER A 42 -0.922 0.334 7.597 1.00 0.00 O ATOM 700 CB SER A 42 -3.207 1.690 9.270 1.00 0.00 C ATOM 701 OG SER A 42 -4.529 2.194 9.034 1.00 0.00 O ATOM 0 H SER A 42 -3.754 1.624 6.871 1.00 0.00 H new ATOM 0 HA SER A 42 -2.024 3.269 8.446 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.212 0.600 9.248 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.864 1.988 10.261 1.00 0.00 H new ATOM 0 HG SER A 42 -5.029 1.556 8.483 1.00 0.00 H new ATOM 707 N LEU A 43 0.101 1.986 8.715 1.00 0.00 N ATOM 708 CA LEU A 43 1.397 1.332 8.665 1.00 0.00 C ATOM 709 C LEU A 43 1.369 0.000 9.383 1.00 0.00 C ATOM 710 O LEU A 43 1.902 -0.987 8.887 1.00 0.00 O ATOM 711 CB LEU A 43 2.493 2.227 9.244 1.00 0.00 C ATOM 712 CG LEU A 43 2.741 3.415 8.300 1.00 0.00 C ATOM 713 CD1 LEU A 43 3.694 4.407 8.966 1.00 0.00 C ATOM 714 CD2 LEU A 43 3.369 2.913 6.993 1.00 0.00 C ATOM 0 H LEU A 43 0.094 2.882 9.202 1.00 0.00 H new ATOM 0 HA LEU A 43 1.626 1.148 7.615 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.199 2.588 10.230 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.412 1.655 9.375 1.00 0.00 H new ATOM 0 HG LEU A 43 1.792 3.906 8.084 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.869 5.249 8.296 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.252 4.768 9.895 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.641 3.912 9.183 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.544 3.757 6.326 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.317 2.420 7.210 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.693 2.205 6.513 1.00 0.00 H new ATOM 726 N GLN A 44 0.710 -0.049 10.528 1.00 0.00 N ATOM 727 CA GLN A 44 0.613 -1.304 11.254 1.00 0.00 C ATOM 728 C GLN A 44 -0.111 -2.337 10.400 1.00 0.00 C ATOM 729 O GLN A 44 0.385 -3.446 10.198 1.00 0.00 O ATOM 730 CB GLN A 44 -0.107 -1.108 12.594 1.00 0.00 C ATOM 731 CG GLN A 44 0.776 -0.259 13.522 1.00 0.00 C ATOM 732 CD GLN A 44 0.101 -0.054 14.873 1.00 0.00 C ATOM 733 OE1 GLN A 44 -1.068 -0.568 15.095 1.00 0.00 O flip ATOM 734 NE2 GLN A 44 0.662 0.595 15.754 1.00 0.00 N flip ATOM 0 H GLN A 44 0.244 0.745 10.967 1.00 0.00 H new ATOM 0 HA GLN A 44 1.620 -1.663 11.468 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.067 -0.617 12.436 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.315 -2.074 13.054 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.740 -0.749 13.662 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.974 0.708 13.059 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.582 1.000 15.581 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.207 0.728 16.657 1.00 0.00 H new ATOM 743 N LEU A 45 -1.190 -1.909 9.753 1.00 0.00 N ATOM 744 CA LEU A 45 -1.865 -2.761 8.781 1.00 0.00 C ATOM 745 C LEU A 45 -0.924 -3.055 7.631 1.00 0.00 C ATOM 746 O LEU A 45 -0.785 -4.203 7.206 1.00 0.00 O ATOM 747 CB LEU A 45 -3.143 -2.091 8.251 1.00 0.00 C ATOM 748 CG LEU A 45 -4.309 -2.326 9.225 1.00 0.00 C ATOM 749 CD1 LEU A 45 -3.954 -1.808 10.619 1.00 0.00 C ATOM 750 CD2 LEU A 45 -5.549 -1.593 8.718 1.00 0.00 C ATOM 0 H LEU A 45 -1.612 -0.989 9.882 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.150 -3.691 9.273 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.976 -1.021 8.124 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.393 -2.493 7.269 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.506 -3.396 9.284 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.790 -1.982 11.296 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.073 -2.332 10.989 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.745 -0.739 10.568 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.377 -1.759 9.407 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.339 -0.525 8.653 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.817 -1.971 7.732 1.00 0.00 H new ATOM 762 N ALA A 46 -0.211 -2.018 7.186 1.00 0.00 N ATOM 763 CA ALA A 46 0.770 -2.164 6.126 1.00 0.00 C ATOM 764 C ALA A 46 1.775 -3.228 6.502 1.00 0.00 C ATOM 765 O ALA A 46 2.028 -4.148 5.741 1.00 0.00 O ATOM 766 CB ALA A 46 1.493 -0.834 5.861 1.00 0.00 C ATOM 0 H ALA A 46 -0.300 -1.069 7.549 1.00 0.00 H new ATOM 0 HA ALA A 46 0.251 -2.460 5.215 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.223 -0.969 5.063 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.766 -0.078 5.564 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.003 -0.510 6.768 1.00 0.00 H new ATOM 772 N LEU A 47 2.283 -3.144 7.716 1.00 0.00 N ATOM 773 CA LEU A 47 3.213 -4.142 8.218 1.00 0.00 C ATOM 774 C LEU A 47 2.547 -5.502 8.297 1.00 0.00 C ATOM 775 O LEU A 47 3.144 -6.517 7.929 1.00 0.00 O ATOM 776 CB LEU A 47 3.790 -3.730 9.568 1.00 0.00 C ATOM 777 CG LEU A 47 4.707 -2.510 9.369 1.00 0.00 C ATOM 778 CD1 LEU A 47 5.149 -1.967 10.722 1.00 0.00 C ATOM 779 CD2 LEU A 47 5.946 -2.912 8.551 1.00 0.00 C ATOM 0 H LEU A 47 2.069 -2.395 8.375 1.00 0.00 H new ATOM 0 HA LEU A 47 4.044 -4.213 7.516 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.986 -3.487 10.263 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.351 -4.556 10.005 1.00 0.00 H new ATOM 0 HG LEU A 47 4.154 -1.739 8.832 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.798 -1.104 10.573 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.273 -1.668 11.298 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.693 -2.740 11.264 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.590 -2.043 8.415 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.495 -3.691 9.081 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.633 -3.288 7.577 1.00 0.00 H new ATOM 791 N LYS A 48 1.294 -5.518 8.724 1.00 0.00 N ATOM 792 CA LYS A 48 0.546 -6.766 8.786 1.00 0.00 C ATOM 793 C LYS A 48 0.405 -7.383 7.399 1.00 0.00 C ATOM 794 O LYS A 48 0.563 -8.595 7.242 1.00 0.00 O ATOM 795 CB LYS A 48 -0.828 -6.554 9.437 1.00 0.00 C ATOM 796 CG LYS A 48 -0.645 -6.280 10.938 1.00 0.00 C ATOM 797 CD LYS A 48 -2.003 -6.016 11.601 1.00 0.00 C ATOM 798 CE LYS A 48 -1.797 -5.785 13.106 1.00 0.00 C ATOM 799 NZ LYS A 48 -1.366 -7.053 13.741 1.00 0.00 N ATOM 0 H LYS A 48 0.778 -4.693 9.029 1.00 0.00 H new ATOM 0 HA LYS A 48 1.106 -7.463 9.410 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.342 -5.717 8.963 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.452 -7.436 9.290 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.160 -7.133 11.414 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.010 -5.420 11.080 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.478 -5.145 11.149 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.670 -6.863 11.439 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.047 -5.011 13.268 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.722 -5.433 13.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.548 -7.009 14.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.898 -7.846 13.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.349 -7.195 13.577 1.00 0.00 H new ATOM 813 N ILE A 49 0.137 -6.558 6.395 1.00 0.00 N ATOM 814 CA ILE A 49 0.047 -7.040 5.010 1.00 0.00 C ATOM 815 C ILE A 49 1.435 -7.134 4.362 1.00 0.00 C ATOM 816 O ILE A 49 1.604 -7.781 3.324 1.00 0.00 O ATOM 817 CB ILE A 49 -0.872 -6.140 4.169 1.00 0.00 C ATOM 818 CG1 ILE A 49 -0.326 -4.707 4.140 1.00 0.00 C ATOM 819 CG2 ILE A 49 -2.282 -6.131 4.773 1.00 0.00 C ATOM 820 CD1 ILE A 49 -1.180 -3.848 3.210 1.00 0.00 C ATOM 0 H ILE A 49 -0.022 -5.557 6.506 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.385 -8.040 5.041 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.910 -6.531 3.152 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.330 -4.286 5.145 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.709 -4.709 3.800 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.930 -5.492 4.174 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.680 -7.146 4.782 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.238 -5.749 5.793 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.789 -2.831 3.193 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.153 -4.265 2.203 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.209 -3.835 3.570 1.00 0.00 H new ATOM 832 N ALA A 50 2.388 -6.380 4.906 1.00 0.00 N ATOM 833 CA ALA A 50 3.713 -6.240 4.306 1.00 0.00 C ATOM 834 C ALA A 50 4.337 -7.583 4.000 1.00 0.00 C ATOM 835 O ALA A 50 5.051 -7.727 3.007 1.00 0.00 O ATOM 836 CB ALA A 50 4.649 -5.442 5.226 1.00 0.00 C ATOM 0 H ALA A 50 2.265 -5.852 5.770 1.00 0.00 H new ATOM 0 HA ALA A 50 3.579 -5.701 3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.629 -5.351 4.758 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.234 -4.448 5.394 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.749 -5.959 6.180 1.00 0.00 H new ATOM 842 N TYR A 51 4.075 -8.566 4.841 1.00 0.00 N ATOM 843 CA TYR A 51 4.633 -9.886 4.618 1.00 0.00 C ATOM 844 C TYR A 51 4.151 -10.414 3.269 1.00 0.00 C ATOM 845 O TYR A 51 4.962 -10.757 2.402 1.00 0.00 O ATOM 846 CB TYR A 51 4.238 -10.834 5.764 1.00 0.00 C ATOM 847 CG TYR A 51 4.738 -12.234 5.493 1.00 0.00 C ATOM 848 CD1 TYR A 51 6.103 -12.530 5.614 1.00 0.00 C ATOM 849 CD2 TYR A 51 3.840 -13.233 5.120 1.00 0.00 C ATOM 850 CE1 TYR A 51 6.563 -13.822 5.361 1.00 0.00 C ATOM 851 CE2 TYR A 51 4.302 -14.525 4.868 1.00 0.00 C ATOM 852 CZ TYR A 51 5.662 -14.821 4.991 1.00 0.00 C ATOM 853 OH TYR A 51 6.111 -16.099 4.738 1.00 0.00 O ATOM 0 H TYR A 51 3.489 -8.479 5.671 1.00 0.00 H new ATOM 0 HA TYR A 51 5.721 -9.827 4.601 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.653 -10.470 6.704 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.154 -10.845 5.877 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.799 -11.757 5.903 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.788 -13.007 5.026 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.615 -14.049 5.451 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.607 -15.298 4.577 1.00 0.00 H new ATOM 0 HH TYR A 51 5.353 -16.670 4.494 1.00 0.00 H new ATOM 863 N TYR A 52 2.846 -10.324 3.034 1.00 0.00 N ATOM 864 CA TYR A 52 2.292 -10.618 1.715 1.00 0.00 C ATOM 865 C TYR A 52 2.653 -9.541 0.701 1.00 0.00 C ATOM 866 O TYR A 52 3.019 -9.844 -0.437 1.00 0.00 O ATOM 867 CB TYR A 52 0.781 -10.812 1.778 1.00 0.00 C ATOM 868 CG TYR A 52 0.464 -12.258 2.076 1.00 0.00 C ATOM 869 CD1 TYR A 52 0.682 -12.782 3.351 1.00 0.00 C ATOM 870 CD2 TYR A 52 -0.059 -13.072 1.067 1.00 0.00 C ATOM 871 CE1 TYR A 52 0.378 -14.119 3.617 1.00 0.00 C ATOM 872 CE2 TYR A 52 -0.361 -14.407 1.335 1.00 0.00 C ATOM 873 CZ TYR A 52 -0.142 -14.929 2.610 1.00 0.00 C ATOM 874 OH TYR A 52 -0.444 -16.242 2.875 1.00 0.00 O ATOM 0 H TYR A 52 2.155 -10.052 3.734 1.00 0.00 H new ATOM 0 HA TYR A 52 2.741 -11.554 1.382 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.354 -10.170 2.549 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.327 -10.518 0.831 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.086 -12.154 4.132 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.229 -12.667 0.080 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.546 -14.525 4.604 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.764 -15.037 0.556 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.798 -16.666 2.066 1.00 0.00 H new ATOM 884 N LEU A 53 2.565 -8.282 1.113 1.00 0.00 N ATOM 885 CA LEU A 53 2.897 -7.162 0.228 1.00 0.00 C ATOM 886 C LEU A 53 4.403 -7.119 0.001 1.00 0.00 C ATOM 887 O LEU A 53 5.032 -6.080 0.170 1.00 0.00 O ATOM 888 CB LEU A 53 2.408 -5.831 0.832 1.00 0.00 C ATOM 889 CG LEU A 53 1.906 -4.888 -0.280 1.00 0.00 C ATOM 890 CD1 LEU A 53 0.801 -3.988 0.267 1.00 0.00 C ATOM 891 CD2 LEU A 53 3.055 -4.010 -0.775 1.00 0.00 C ATOM 0 H LEU A 53 2.268 -8.007 2.049 1.00 0.00 H new ATOM 0 HA LEU A 53 2.395 -7.306 -0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.606 -6.021 1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.219 -5.355 1.383 1.00 0.00 H new ATOM 0 HG LEU A 53 1.521 -5.490 -1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.449 -3.323 -0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.027 -4.602 0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.191 -3.395 1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.693 -3.346 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.442 -3.416 0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.851 -4.641 -1.171 1.00 0.00 H new ATOM 903 N ASN A 54 4.958 -8.281 -0.358 1.00 0.00 N ATOM 904 CA ASN A 54 6.403 -8.508 -0.563 1.00 0.00 C ATOM 905 C ASN A 54 7.164 -7.257 -0.992 1.00 0.00 C ATOM 906 O ASN A 54 7.596 -7.144 -2.154 1.00 0.00 O ATOM 907 CB ASN A 54 6.610 -9.621 -1.597 1.00 0.00 C ATOM 908 CG ASN A 54 7.915 -10.354 -1.320 1.00 0.00 C ATOM 909 OD1 ASN A 54 8.802 -10.390 -2.175 1.00 0.00 O ATOM 910 ND2 ASN A 54 8.095 -10.938 -0.175 1.00 0.00 N ATOM 0 H ASN A 54 4.401 -9.120 -0.521 1.00 0.00 H new ATOM 0 HA ASN A 54 6.811 -8.801 0.404 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.776 -10.321 -1.561 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.628 -9.197 -2.601 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.970 -11.426 0.017 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.362 -10.909 0.533 1.00 0.00 H new ATOM 917 N THR A 55 7.344 -6.337 -0.066 1.00 0.00 N ATOM 918 CA THR A 55 8.051 -5.102 -0.329 1.00 0.00 C ATOM 919 C THR A 55 8.401 -4.399 0.981 1.00 0.00 C ATOM 920 O THR A 55 7.505 -3.958 1.713 1.00 0.00 O ATOM 921 CB THR A 55 7.194 -4.170 -1.197 1.00 0.00 C ATOM 922 OG1 THR A 55 6.057 -4.880 -1.696 1.00 0.00 O ATOM 923 CG2 THR A 55 8.025 -3.655 -2.362 1.00 0.00 C ATOM 0 H THR A 55 7.003 -6.426 0.891 1.00 0.00 H new ATOM 0 HA THR A 55 8.971 -5.343 -0.862 1.00 0.00 H new ATOM 0 HB THR A 55 6.853 -3.329 -0.593 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.523 -5.212 -0.944 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.417 -2.993 -2.978 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.886 -3.106 -1.980 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.369 -4.496 -2.963 1.00 0.00 H new ATOM 931 N PRO A 56 9.666 -4.231 1.275 1.00 0.00 N ATOM 932 CA PRO A 56 10.050 -3.455 2.484 1.00 0.00 C ATOM 933 C PRO A 56 9.507 -2.038 2.360 1.00 0.00 C ATOM 934 O PRO A 56 9.751 -1.379 1.353 1.00 0.00 O ATOM 935 CB PRO A 56 11.585 -3.437 2.430 1.00 0.00 C ATOM 936 CG PRO A 56 11.947 -4.615 1.599 1.00 0.00 C ATOM 937 CD PRO A 56 10.852 -4.722 0.550 1.00 0.00 C ATOM 0 HA PRO A 56 9.666 -3.875 3.413 1.00 0.00 H new ATOM 0 HB2 PRO A 56 11.955 -2.512 1.988 1.00 0.00 H new ATOM 0 HB3 PRO A 56 12.017 -3.509 3.428 1.00 0.00 H new ATOM 0 HG2 PRO A 56 12.924 -4.483 1.135 1.00 0.00 H new ATOM 0 HG3 PRO A 56 12.001 -5.520 2.204 1.00 0.00 H new ATOM 0 HD2 PRO A 56 11.071 -4.115 -0.328 1.00 0.00 H new ATOM 0 HD3 PRO A 56 10.720 -5.747 0.204 1.00 0.00 H new ATOM 945 N LEU A 57 8.881 -1.533 3.406 1.00 0.00 N ATOM 946 CA LEU A 57 8.382 -0.160 3.379 1.00 0.00 C ATOM 947 C LEU A 57 9.536 0.785 3.208 1.00 0.00 C ATOM 948 O LEU A 57 9.447 1.778 2.480 1.00 0.00 O ATOM 949 CB LEU A 57 7.581 0.187 4.641 1.00 0.00 C ATOM 950 CG LEU A 57 6.087 -0.187 4.461 1.00 0.00 C ATOM 951 CD1 LEU A 57 5.386 0.862 3.587 1.00 0.00 C ATOM 952 CD2 LEU A 57 5.936 -1.578 3.826 1.00 0.00 C ATOM 0 H LEU A 57 8.705 -2.038 4.274 1.00 0.00 H new ATOM 0 HA LEU A 57 7.699 -0.062 2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.994 -0.346 5.498 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.671 1.252 4.854 1.00 0.00 H new ATOM 0 HG LEU A 57 5.622 -0.209 5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.337 0.592 3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.456 1.839 4.065 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.866 0.901 2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.878 -1.813 3.712 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.417 -1.586 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.406 -2.324 4.467 1.00 0.00 H new ATOM 964 N GLU A 58 10.637 0.443 3.838 1.00 0.00 N ATOM 965 CA GLU A 58 11.835 1.216 3.730 1.00 0.00 C ATOM 966 C GLU A 58 12.268 1.269 2.268 1.00 0.00 C ATOM 967 O GLU A 58 12.567 2.326 1.753 1.00 0.00 O ATOM 968 CB GLU A 58 12.930 0.566 4.575 1.00 0.00 C ATOM 969 CG GLU A 58 12.457 0.464 6.038 1.00 0.00 C ATOM 970 CD GLU A 58 11.608 -0.792 6.278 1.00 0.00 C ATOM 971 OE1 GLU A 58 11.312 -1.506 5.331 1.00 0.00 O ATOM 972 OE2 GLU A 58 11.259 -1.021 7.406 1.00 0.00 O ATOM 0 H GLU A 58 10.719 -0.379 4.437 1.00 0.00 H new ATOM 0 HA GLU A 58 11.658 2.230 4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.163 -0.426 4.187 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.846 1.154 4.518 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.323 0.449 6.699 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.876 1.350 6.294 1.00 0.00 H new ATOM 979 N ASP A 59 12.158 0.136 1.570 1.00 0.00 N ATOM 980 CA ASP A 59 12.443 0.114 0.133 1.00 0.00 C ATOM 981 C ASP A 59 11.453 0.980 -0.612 1.00 0.00 C ATOM 982 O ASP A 59 11.806 1.666 -1.569 1.00 0.00 O ATOM 983 CB ASP A 59 12.419 -1.307 -0.446 1.00 0.00 C ATOM 984 CG ASP A 59 12.899 -1.269 -1.887 1.00 0.00 C ATOM 985 OD1 ASP A 59 14.048 -0.937 -2.094 1.00 0.00 O ATOM 986 OD2 ASP A 59 12.111 -1.548 -2.771 1.00 0.00 O ATOM 0 H ASP A 59 11.879 -0.762 1.966 1.00 0.00 H new ATOM 0 HA ASP A 59 13.451 0.508 0.004 1.00 0.00 H new ATOM 0 HB2 ASP A 59 13.057 -1.964 0.145 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.409 -1.715 -0.397 1.00 0.00 H new ATOM 991 N ILE A 60 10.210 0.945 -0.168 1.00 0.00 N ATOM 992 CA ILE A 60 9.168 1.760 -0.773 1.00 0.00 C ATOM 993 C ILE A 60 9.470 3.247 -0.547 1.00 0.00 C ATOM 994 O ILE A 60 8.988 4.102 -1.288 1.00 0.00 O ATOM 995 CB ILE A 60 7.771 1.373 -0.226 1.00 0.00 C ATOM 996 CG1 ILE A 60 7.516 -0.133 -0.423 1.00 0.00 C ATOM 997 CG2 ILE A 60 6.672 2.143 -0.970 1.00 0.00 C ATOM 998 CD1 ILE A 60 7.590 -0.485 -1.915 1.00 0.00 C ATOM 0 H ILE A 60 9.896 0.362 0.608 1.00 0.00 H new ATOM 0 HA ILE A 60 9.154 1.573 -1.847 1.00 0.00 H new ATOM 0 HB ILE A 60 7.749 1.622 0.835 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.254 -0.711 0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.537 -0.400 -0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.697 1.859 -0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.822 3.214 -0.833 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.715 1.903 -2.032 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.409 -1.552 -2.047 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.835 0.081 -2.460 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.579 -0.235 -2.299 1.00 0.00 H new