USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 261 hydrogens (2 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 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Set 2.1: A 21 ASN : amide:sc= 0.0266 X(o=0.049,f=0) USER MOD Set 2.2: A 33 TYR OH : rot 119:sc= 0.0222 USER MOD Set 3.1: A 10 ASN : amide:sc= -1.89 K(o=-1.9,f=-3!) USER MOD Set 3.2: A 13 ASN : amide:sc= 0.00831 K(o=-1.9,f=-3) USER MOD Single : A 1 GLU N :NH3+ 158:sc= 0 (180deg=-0.644) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.543 X(o=-0.54,f=-0.33) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -120:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 7.316 9.235 0.533 1.00 0.00 N ATOM 2 CA GLU A 1 6.133 8.496 1.079 1.00 0.00 C ATOM 3 C GLU A 1 6.499 7.032 1.358 1.00 0.00 C ATOM 4 O GLU A 1 7.077 6.356 0.526 1.00 0.00 O ATOM 5 CB GLU A 1 5.040 8.593 0.001 1.00 0.00 C ATOM 6 CG GLU A 1 5.591 8.166 -1.366 1.00 0.00 C ATOM 7 CD GLU A 1 4.447 7.644 -2.240 1.00 0.00 C ATOM 8 OE1 GLU A 1 3.718 8.460 -2.782 1.00 0.00 O ATOM 9 OE2 GLU A 1 4.320 6.435 -2.352 1.00 0.00 O ATOM 0 H1 GLU A 1 6.991 10.074 0.012 1.00 0.00 H new ATOM 0 H2 GLU A 1 7.932 9.531 1.317 1.00 0.00 H new ATOM 0 H3 GLU A 1 7.847 8.613 -0.109 1.00 0.00 H new ATOM 0 HA GLU A 1 5.793 8.921 2.024 1.00 0.00 H new ATOM 0 HB2 GLU A 1 4.196 7.959 0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.666 9.615 -0.055 1.00 0.00 H new ATOM 0 HG2 GLU A 1 6.078 9.011 -1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 1 6.348 7.392 -1.239 1.00 0.00 H new ATOM 18 N CYS A 2 6.174 6.541 2.531 1.00 0.00 N ATOM 19 CA CYS A 2 6.512 5.124 2.870 1.00 0.00 C ATOM 20 C CYS A 2 5.658 4.627 4.046 1.00 0.00 C ATOM 21 O CYS A 2 6.022 4.780 5.199 1.00 0.00 O ATOM 22 CB CYS A 2 7.997 5.158 3.250 1.00 0.00 C ATOM 23 SG CYS A 2 8.500 3.547 3.907 1.00 0.00 S ATOM 0 H CYS A 2 5.691 7.059 3.265 1.00 0.00 H new ATOM 0 HA CYS A 2 6.316 4.444 2.041 1.00 0.00 H new ATOM 0 HB2 CYS A 2 8.599 5.409 2.377 1.00 0.00 H new ATOM 0 HB3 CYS A 2 8.174 5.935 3.993 1.00 0.00 H new ATOM 28 N LEU A 3 4.529 4.025 3.762 1.00 0.00 N ATOM 29 CA LEU A 3 3.656 3.505 4.861 1.00 0.00 C ATOM 30 C LEU A 3 4.031 2.053 5.185 1.00 0.00 C ATOM 31 O LEU A 3 4.418 1.296 4.313 1.00 0.00 O ATOM 32 CB LEU A 3 2.226 3.584 4.318 1.00 0.00 C ATOM 33 CG LEU A 3 1.745 5.037 4.338 1.00 0.00 C ATOM 34 CD1 LEU A 3 0.501 5.176 3.459 1.00 0.00 C ATOM 35 CD2 LEU A 3 1.399 5.444 5.773 1.00 0.00 C ATOM 0 H LEU A 3 4.174 3.871 2.818 1.00 0.00 H new ATOM 0 HA LEU A 3 3.767 4.079 5.781 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.191 3.193 3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.563 2.963 4.921 1.00 0.00 H new ATOM 0 HG LEU A 3 2.536 5.683 3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.159 6.211 3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.744 4.889 2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.288 4.528 3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.057 6.479 5.785 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.610 4.796 6.155 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.284 5.347 6.402 1.00 0.00 H new ATOM 47 N GLY A 4 3.920 1.662 6.432 1.00 0.00 N ATOM 48 CA GLY A 4 4.271 0.261 6.824 1.00 0.00 C ATOM 49 C GLY A 4 3.238 -0.718 6.254 1.00 0.00 C ATOM 50 O GLY A 4 2.220 -0.320 5.719 1.00 0.00 O ATOM 0 H GLY A 4 3.600 2.255 7.198 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.265 0.010 6.454 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.304 0.176 7.910 1.00 0.00 H new ATOM 54 N PHE A 5 3.495 -1.998 6.364 1.00 0.00 N ATOM 55 CA PHE A 5 2.530 -3.006 5.827 1.00 0.00 C ATOM 56 C PHE A 5 1.249 -3.018 6.673 1.00 0.00 C ATOM 57 O PHE A 5 1.292 -3.122 7.885 1.00 0.00 O ATOM 58 CB PHE A 5 3.255 -4.356 5.916 1.00 0.00 C ATOM 59 CG PHE A 5 2.278 -5.485 5.664 1.00 0.00 C ATOM 60 CD1 PHE A 5 1.512 -5.507 4.490 1.00 0.00 C ATOM 61 CD2 PHE A 5 2.134 -6.507 6.610 1.00 0.00 C ATOM 62 CE1 PHE A 5 0.607 -6.550 4.265 1.00 0.00 C ATOM 63 CE2 PHE A 5 1.228 -7.549 6.383 1.00 0.00 C ATOM 64 CZ PHE A 5 0.464 -7.570 5.211 1.00 0.00 C ATOM 0 H PHE A 5 4.330 -2.388 6.802 1.00 0.00 H new ATOM 0 HA PHE A 5 2.231 -2.781 4.803 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.063 -4.393 5.185 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.710 -4.470 6.900 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.620 -4.719 3.759 1.00 0.00 H new ATOM 0 HD2 PHE A 5 2.722 -6.491 7.515 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.018 -6.567 3.360 1.00 0.00 H new ATOM 0 HE2 PHE A 5 1.118 -8.337 7.113 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.236 -8.374 5.037 1.00 0.00 H new ATOM 74 N GLY A 6 0.112 -2.913 6.033 1.00 0.00 N ATOM 75 CA GLY A 6 -1.181 -2.918 6.779 1.00 0.00 C ATOM 76 C GLY A 6 -1.468 -1.522 7.343 1.00 0.00 C ATOM 77 O GLY A 6 -2.008 -1.384 8.424 1.00 0.00 O ATOM 0 H GLY A 6 0.024 -2.824 5.021 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.991 -3.225 6.117 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -1.139 -3.645 7.590 1.00 0.00 H new ATOM 81 N LYS A 7 -1.116 -0.486 6.617 1.00 0.00 N ATOM 82 CA LYS A 7 -1.371 0.901 7.106 1.00 0.00 C ATOM 83 C LYS A 7 -2.454 1.567 6.250 1.00 0.00 C ATOM 84 O LYS A 7 -2.447 1.461 5.037 1.00 0.00 O ATOM 85 CB LYS A 7 -0.033 1.629 6.949 1.00 0.00 C ATOM 86 CG LYS A 7 0.016 2.824 7.904 1.00 0.00 C ATOM 87 CD LYS A 7 0.458 2.355 9.293 1.00 0.00 C ATOM 88 CE LYS A 7 0.376 3.525 10.281 1.00 0.00 C ATOM 89 NZ LYS A 7 -0.274 2.965 11.501 1.00 0.00 N ATOM 0 H LYS A 7 -0.662 -0.545 5.705 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.724 0.921 8.137 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.791 0.947 7.161 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.090 1.967 5.920 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.708 3.576 7.526 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.965 3.295 7.963 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.177 1.536 9.630 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.478 1.972 9.251 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.367 3.918 10.508 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.206 4.349 9.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.363 3.711 12.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.219 2.605 11.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.306 2.188 11.878 1.00 0.00 H new ATOM 103 N GLY A 8 -3.386 2.247 6.876 1.00 0.00 N ATOM 104 CA GLY A 8 -4.482 2.922 6.114 1.00 0.00 C ATOM 105 C GLY A 8 -3.888 3.911 5.105 1.00 0.00 C ATOM 106 O GLY A 8 -3.230 4.865 5.474 1.00 0.00 O ATOM 0 H GLY A 8 -3.433 2.363 7.888 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.086 2.178 5.594 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -5.145 3.446 6.802 1.00 0.00 H new ATOM 110 N CYS A 9 -4.119 3.686 3.833 1.00 0.00 N ATOM 111 CA CYS A 9 -3.572 4.608 2.791 1.00 0.00 C ATOM 112 C CYS A 9 -4.572 4.772 1.636 1.00 0.00 C ATOM 113 O CYS A 9 -5.596 4.116 1.589 1.00 0.00 O ATOM 114 CB CYS A 9 -2.283 3.939 2.301 1.00 0.00 C ATOM 115 SG CYS A 9 -2.683 2.538 1.225 1.00 0.00 S ATOM 0 H CYS A 9 -4.664 2.902 3.473 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.387 5.607 3.186 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.672 4.661 1.760 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.694 3.598 3.152 1.00 0.00 H new ATOM 120 N ASN A 10 -4.273 5.643 0.705 1.00 0.00 N ATOM 121 CA ASN A 10 -5.192 5.859 -0.453 1.00 0.00 C ATOM 122 C ASN A 10 -4.670 5.098 -1.682 1.00 0.00 C ATOM 123 O ASN A 10 -3.528 5.260 -2.060 1.00 0.00 O ATOM 124 CB ASN A 10 -5.159 7.373 -0.696 1.00 0.00 C ATOM 125 CG ASN A 10 -6.290 7.779 -1.647 1.00 0.00 C ATOM 126 OD1 ASN A 10 -7.383 7.253 -1.577 1.00 0.00 O ATOM 127 ND2 ASN A 10 -6.071 8.707 -2.540 1.00 0.00 N ATOM 0 H ASN A 10 -3.429 6.215 0.698 1.00 0.00 H new ATOM 0 HA ASN A 10 -6.203 5.499 -0.263 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -5.262 7.903 0.251 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -4.197 7.660 -1.120 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -6.817 8.988 -3.176 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.154 9.150 -2.601 1.00 0.00 H new ATOM 134 N PRO A 11 -5.526 4.290 -2.268 1.00 0.00 N ATOM 135 CA PRO A 11 -5.134 3.503 -3.468 1.00 0.00 C ATOM 136 C PRO A 11 -4.960 4.416 -4.692 1.00 0.00 C ATOM 137 O PRO A 11 -4.206 4.109 -5.595 1.00 0.00 O ATOM 138 CB PRO A 11 -6.300 2.538 -3.664 1.00 0.00 C ATOM 139 CG PRO A 11 -7.467 3.205 -3.012 1.00 0.00 C ATOM 140 CD PRO A 11 -6.921 4.035 -1.879 1.00 0.00 C ATOM 0 HA PRO A 11 -4.180 2.991 -3.345 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.489 2.357 -4.722 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.093 1.570 -3.207 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.002 3.831 -3.726 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.177 2.465 -2.642 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.479 4.964 -1.759 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.980 3.503 -0.929 1.00 0.00 H new ATOM 148 N SER A 12 -5.646 5.535 -4.725 1.00 0.00 N ATOM 149 CA SER A 12 -5.513 6.467 -5.888 1.00 0.00 C ATOM 150 C SER A 12 -4.137 7.150 -5.869 1.00 0.00 C ATOM 151 O SER A 12 -3.472 7.246 -6.884 1.00 0.00 O ATOM 152 CB SER A 12 -6.630 7.497 -5.708 1.00 0.00 C ATOM 153 OG SER A 12 -7.856 6.946 -6.170 1.00 0.00 O ATOM 0 H SER A 12 -6.291 5.842 -3.997 1.00 0.00 H new ATOM 0 HA SER A 12 -5.594 5.946 -6.842 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.717 7.777 -4.658 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.395 8.406 -6.262 1.00 0.00 H new ATOM 0 HG SER A 12 -8.574 7.603 -6.054 1.00 0.00 H new ATOM 159 N ASN A 13 -3.703 7.617 -4.721 1.00 0.00 N ATOM 160 CA ASN A 13 -2.365 8.286 -4.633 1.00 0.00 C ATOM 161 C ASN A 13 -1.270 7.247 -4.361 1.00 0.00 C ATOM 162 O ASN A 13 -0.160 7.369 -4.841 1.00 0.00 O ATOM 163 CB ASN A 13 -2.473 9.265 -3.458 1.00 0.00 C ATOM 164 CG ASN A 13 -3.081 10.588 -3.936 1.00 0.00 C ATOM 165 OD1 ASN A 13 -4.272 10.679 -4.154 1.00 0.00 O ATOM 166 ND2 ASN A 13 -2.307 11.627 -4.106 1.00 0.00 N ATOM 0 H ASN A 13 -4.218 7.564 -3.842 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.104 8.795 -5.561 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.091 8.834 -2.670 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.487 9.442 -3.029 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.704 12.512 -4.421 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.306 11.553 -3.923 1.00 0.00 H new ATOM 173 N ASP A 14 -1.588 6.230 -3.589 1.00 0.00 N ATOM 174 CA ASP A 14 -0.598 5.155 -3.253 1.00 0.00 C ATOM 175 C ASP A 14 0.587 5.731 -2.465 1.00 0.00 C ATOM 176 O ASP A 14 1.506 6.298 -3.027 1.00 0.00 O ATOM 177 CB ASP A 14 -0.139 4.571 -4.595 1.00 0.00 C ATOM 178 CG ASP A 14 0.298 3.118 -4.392 1.00 0.00 C ATOM 179 OD1 ASP A 14 -0.545 2.244 -4.511 1.00 0.00 O ATOM 180 OD2 ASP A 14 1.468 2.904 -4.116 1.00 0.00 O ATOM 0 H ASP A 14 -2.509 6.099 -3.171 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.042 4.386 -2.620 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.949 4.621 -5.322 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.687 5.158 -4.997 1.00 0.00 H new ATOM 185 N GLN A 15 0.569 5.585 -1.161 1.00 0.00 N ATOM 186 CA GLN A 15 1.689 6.116 -0.322 1.00 0.00 C ATOM 187 C GLN A 15 2.427 4.973 0.401 1.00 0.00 C ATOM 188 O GLN A 15 3.142 5.203 1.360 1.00 0.00 O ATOM 189 CB GLN A 15 1.014 7.046 0.691 1.00 0.00 C ATOM 190 CG GLN A 15 0.651 8.372 0.014 1.00 0.00 C ATOM 191 CD GLN A 15 1.696 9.436 0.366 1.00 0.00 C ATOM 192 OE1 GLN A 15 1.985 9.661 1.525 1.00 0.00 O ATOM 193 NE2 GLN A 15 2.278 10.106 -0.591 1.00 0.00 N ATOM 0 H GLN A 15 -0.175 5.120 -0.641 1.00 0.00 H new ATOM 0 HA GLN A 15 2.438 6.632 -0.923 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.117 6.574 1.091 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.682 7.228 1.533 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.604 8.238 -1.067 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.337 8.698 0.338 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.037 9.919 -1.564 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.974 10.817 -0.366 1.00 0.00 H new ATOM 202 N CYS A 16 2.272 3.748 -0.053 1.00 0.00 N ATOM 203 CA CYS A 16 2.978 2.605 0.612 1.00 0.00 C ATOM 204 C CYS A 16 4.470 2.625 0.253 1.00 0.00 C ATOM 205 O CYS A 16 4.882 3.279 -0.688 1.00 0.00 O ATOM 206 CB CYS A 16 2.314 1.339 0.064 1.00 0.00 C ATOM 207 SG CYS A 16 0.609 1.232 0.664 1.00 0.00 S ATOM 0 H CYS A 16 1.690 3.493 -0.851 1.00 0.00 H new ATOM 0 HA CYS A 16 2.907 2.659 1.698 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.325 1.354 -1.026 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.875 0.458 0.377 1.00 0.00 H new ATOM 212 N CYS A 17 5.283 1.914 0.996 1.00 0.00 N ATOM 213 CA CYS A 17 6.748 1.894 0.697 1.00 0.00 C ATOM 214 C CYS A 17 7.051 0.891 -0.421 1.00 0.00 C ATOM 215 O CYS A 17 6.696 -0.272 -0.338 1.00 0.00 O ATOM 216 CB CYS A 17 7.421 1.464 2.002 1.00 0.00 C ATOM 217 SG CYS A 17 8.915 2.451 2.263 1.00 0.00 S ATOM 0 H CYS A 17 4.996 1.348 1.795 1.00 0.00 H new ATOM 0 HA CYS A 17 7.108 2.865 0.357 1.00 0.00 H new ATOM 0 HB2 CYS A 17 6.734 1.596 2.838 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.674 0.405 1.961 1.00 0.00 H new ATOM 222 N LYS A 18 7.708 1.335 -1.466 1.00 0.00 N ATOM 223 CA LYS A 18 8.044 0.414 -2.598 1.00 0.00 C ATOM 224 C LYS A 18 9.160 -0.557 -2.189 1.00 0.00 C ATOM 225 O LYS A 18 9.207 -1.682 -2.651 1.00 0.00 O ATOM 226 CB LYS A 18 8.521 1.323 -3.737 1.00 0.00 C ATOM 227 CG LYS A 18 8.146 0.701 -5.087 1.00 0.00 C ATOM 228 CD LYS A 18 9.416 0.247 -5.814 1.00 0.00 C ATOM 229 CE LYS A 18 9.978 1.406 -6.644 1.00 0.00 C ATOM 230 NZ LYS A 18 11.256 0.890 -7.216 1.00 0.00 N ATOM 0 H LYS A 18 8.026 2.297 -1.584 1.00 0.00 H new ATOM 0 HA LYS A 18 7.187 -0.192 -2.892 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.067 2.310 -3.642 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.601 1.461 -3.677 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.479 -0.147 -4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.606 1.426 -5.696 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.160 -0.090 -5.092 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.193 -0.602 -6.461 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.284 1.700 -7.431 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.150 2.287 -6.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.699 1.629 -7.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.900 0.625 -6.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.061 0.056 -7.806 1.00 0.00 H new ATOM 244 N SER A 19 10.057 -0.129 -1.330 1.00 0.00 N ATOM 245 CA SER A 19 11.175 -1.025 -0.889 1.00 0.00 C ATOM 246 C SER A 19 10.628 -2.279 -0.188 1.00 0.00 C ATOM 247 O SER A 19 11.204 -3.347 -0.284 1.00 0.00 O ATOM 248 CB SER A 19 12.001 -0.181 0.083 1.00 0.00 C ATOM 249 OG SER A 19 12.798 0.736 -0.654 1.00 0.00 O ATOM 0 H SER A 19 10.063 0.803 -0.915 1.00 0.00 H new ATOM 0 HA SER A 19 11.769 -1.378 -1.732 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.343 0.357 0.765 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.635 -0.824 0.693 1.00 0.00 H new ATOM 0 HG SER A 19 13.328 1.280 -0.035 1.00 0.00 H new ATOM 255 N SER A 20 9.521 -2.162 0.508 1.00 0.00 N ATOM 256 CA SER A 20 8.940 -3.353 1.206 1.00 0.00 C ATOM 257 C SER A 20 7.834 -4.000 0.355 1.00 0.00 C ATOM 258 O SER A 20 7.017 -4.744 0.862 1.00 0.00 O ATOM 259 CB SER A 20 8.358 -2.804 2.510 1.00 0.00 C ATOM 260 OG SER A 20 9.418 -2.514 3.412 1.00 0.00 O ATOM 0 H SER A 20 8.996 -1.295 0.622 1.00 0.00 H new ATOM 0 HA SER A 20 9.689 -4.125 1.382 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.777 -1.903 2.312 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.677 -3.531 2.952 1.00 0.00 H new ATOM 0 HG SER A 20 9.049 -2.160 4.248 1.00 0.00 H new ATOM 266 N ASN A 21 7.805 -3.722 -0.934 1.00 0.00 N ATOM 267 CA ASN A 21 6.758 -4.315 -1.829 1.00 0.00 C ATOM 268 C ASN A 21 5.356 -4.082 -1.246 1.00 0.00 C ATOM 269 O ASN A 21 4.587 -5.008 -1.057 1.00 0.00 O ATOM 270 CB ASN A 21 7.085 -5.813 -1.903 1.00 0.00 C ATOM 271 CG ASN A 21 8.504 -6.006 -2.448 1.00 0.00 C ATOM 272 OD1 ASN A 21 9.382 -6.456 -1.740 1.00 0.00 O ATOM 273 ND2 ASN A 21 8.769 -5.681 -3.684 1.00 0.00 N ATOM 0 H ASN A 21 8.468 -3.105 -1.404 1.00 0.00 H new ATOM 0 HA ASN A 21 6.760 -3.858 -2.819 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.001 -6.263 -0.914 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.366 -6.321 -2.546 1.00 0.00 H new ATOM 0 HD21 ASN A 21 9.712 -5.805 -4.053 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.033 -5.303 -4.281 1.00 0.00 H new ATOM 280 N LEU A 22 5.024 -2.847 -0.962 1.00 0.00 N ATOM 281 CA LEU A 22 3.677 -2.540 -0.392 1.00 0.00 C ATOM 282 C LEU A 22 2.849 -1.731 -1.396 1.00 0.00 C ATOM 283 O LEU A 22 3.328 -0.779 -1.984 1.00 0.00 O ATOM 284 CB LEU A 22 3.948 -1.715 0.871 1.00 0.00 C ATOM 285 CG LEU A 22 4.621 -2.591 1.932 1.00 0.00 C ATOM 286 CD1 LEU A 22 5.065 -1.718 3.107 1.00 0.00 C ATOM 287 CD2 LEU A 22 3.631 -3.650 2.428 1.00 0.00 C ATOM 0 H LEU A 22 5.629 -2.038 -1.101 1.00 0.00 H new ATOM 0 HA LEU A 22 3.112 -3.445 -0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.586 -0.865 0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.013 -1.311 1.260 1.00 0.00 H new ATOM 0 HG LEU A 22 5.490 -3.084 1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.544 -2.341 3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.772 -0.966 2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.196 -1.224 3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.112 -4.272 3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.761 -3.159 2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.315 -4.273 1.591 1.00 0.00 H new ATOM 299 N VAL A 23 1.610 -2.107 -1.592 1.00 0.00 N ATOM 300 CA VAL A 23 0.731 -1.369 -2.554 1.00 0.00 C ATOM 301 C VAL A 23 -0.606 -1.033 -1.881 1.00 0.00 C ATOM 302 O VAL A 23 -1.147 -1.826 -1.132 1.00 0.00 O ATOM 303 CB VAL A 23 0.522 -2.324 -3.743 1.00 0.00 C ATOM 304 CG1 VAL A 23 1.838 -2.489 -4.510 1.00 0.00 C ATOM 305 CG2 VAL A 23 0.053 -3.699 -3.245 1.00 0.00 C ATOM 0 H VAL A 23 1.166 -2.898 -1.125 1.00 0.00 H new ATOM 0 HA VAL A 23 1.174 -0.427 -2.879 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.238 -1.902 -4.400 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.687 -3.166 -5.351 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.168 -1.518 -4.880 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.597 -2.901 -3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.091 -4.365 -4.096 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.805 -4.120 -2.578 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.889 -3.589 -2.707 1.00 0.00 H new ATOM 315 N CYS A 24 -1.144 0.137 -2.133 1.00 0.00 N ATOM 316 CA CYS A 24 -2.445 0.511 -1.494 1.00 0.00 C ATOM 317 C CYS A 24 -3.593 -0.284 -2.125 1.00 0.00 C ATOM 318 O CYS A 24 -3.834 -0.206 -3.316 1.00 0.00 O ATOM 319 CB CYS A 24 -2.623 2.010 -1.753 1.00 0.00 C ATOM 320 SG CYS A 24 -1.718 2.951 -0.501 1.00 0.00 S ATOM 0 H CYS A 24 -0.742 0.844 -2.749 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.449 0.289 -0.427 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.258 2.264 -2.748 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.681 2.271 -1.725 1.00 0.00 H new ATOM 325 N SER A 25 -4.297 -1.052 -1.332 1.00 0.00 N ATOM 326 CA SER A 25 -5.432 -1.862 -1.873 1.00 0.00 C ATOM 327 C SER A 25 -6.694 -1.002 -1.990 1.00 0.00 C ATOM 328 O SER A 25 -6.825 0.018 -1.339 1.00 0.00 O ATOM 329 CB SER A 25 -5.647 -2.984 -0.855 1.00 0.00 C ATOM 330 OG SER A 25 -4.612 -3.948 -0.992 1.00 0.00 O ATOM 0 H SER A 25 -4.134 -1.153 -0.330 1.00 0.00 H new ATOM 0 HA SER A 25 -5.217 -2.249 -2.869 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.649 -2.577 0.156 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.619 -3.452 -1.012 1.00 0.00 H new ATOM 0 HG SER A 25 -5.003 -4.819 -1.214 1.00 0.00 H new ATOM 336 N ARG A 26 -7.627 -1.413 -2.810 1.00 0.00 N ATOM 337 CA ARG A 26 -8.892 -0.632 -2.970 1.00 0.00 C ATOM 338 C ARG A 26 -9.955 -1.160 -2.001 1.00 0.00 C ATOM 339 O ARG A 26 -10.680 -0.399 -1.387 1.00 0.00 O ATOM 340 CB ARG A 26 -9.326 -0.862 -4.419 1.00 0.00 C ATOM 341 CG ARG A 26 -8.533 0.065 -5.343 1.00 0.00 C ATOM 342 CD ARG A 26 -8.931 -0.200 -6.798 1.00 0.00 C ATOM 343 NE ARG A 26 -7.891 -1.133 -7.319 1.00 0.00 N ATOM 344 CZ ARG A 26 -8.086 -2.425 -7.266 1.00 0.00 C ATOM 345 NH1 ARG A 26 -8.829 -3.012 -8.170 1.00 0.00 N ATOM 346 NH2 ARG A 26 -7.541 -3.128 -6.307 1.00 0.00 N ATOM 0 H ARG A 26 -7.568 -2.258 -3.378 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.755 0.428 -2.754 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.159 -1.902 -4.699 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.394 -0.671 -4.525 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.728 1.106 -5.086 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -7.464 -0.101 -5.211 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.925 -0.642 -6.861 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.956 0.725 -7.375 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.027 -0.763 -7.717 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -9.256 -2.462 -8.915 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.981 -4.020 -8.129 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.965 -2.668 -5.602 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.692 -4.136 -6.264 1.00 0.00 H new ATOM 360 N LYS A 27 -10.040 -2.460 -1.855 1.00 0.00 N ATOM 361 CA LYS A 27 -11.042 -3.056 -0.920 1.00 0.00 C ATOM 362 C LYS A 27 -10.582 -2.864 0.529 1.00 0.00 C ATOM 363 O LYS A 27 -11.370 -2.562 1.404 1.00 0.00 O ATOM 364 CB LYS A 27 -11.079 -4.545 -1.271 1.00 0.00 C ATOM 365 CG LYS A 27 -12.413 -4.881 -1.939 1.00 0.00 C ATOM 366 CD LYS A 27 -12.383 -6.326 -2.441 1.00 0.00 C ATOM 367 CE LYS A 27 -12.552 -7.288 -1.257 1.00 0.00 C ATOM 368 NZ LYS A 27 -11.303 -8.104 -1.233 1.00 0.00 N ATOM 0 H LYS A 27 -9.455 -3.136 -2.346 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.023 -2.591 -1.014 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.254 -4.792 -1.939 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.951 -5.145 -0.370 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.230 -4.748 -1.230 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.597 -4.200 -2.770 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.179 -6.485 -3.168 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.441 -6.524 -2.952 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.684 -6.743 -0.323 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.432 -7.919 -1.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.348 -8.785 -0.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.207 -8.618 -2.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.482 -7.479 -1.102 1.00 0.00 H new ATOM 382 N HIS A 28 -9.308 -3.037 0.780 1.00 0.00 N ATOM 383 CA HIS A 28 -8.778 -2.867 2.167 1.00 0.00 C ATOM 384 C HIS A 28 -8.312 -1.420 2.394 1.00 0.00 C ATOM 385 O HIS A 28 -8.200 -0.974 3.520 1.00 0.00 O ATOM 386 CB HIS A 28 -7.598 -3.838 2.264 1.00 0.00 C ATOM 387 CG HIS A 28 -8.112 -5.253 2.231 1.00 0.00 C ATOM 388 ND1 HIS A 28 -8.301 -5.942 1.043 1.00 0.00 N ATOM 389 CD2 HIS A 28 -8.494 -6.114 3.229 1.00 0.00 C ATOM 390 CE1 HIS A 28 -8.779 -7.160 1.352 1.00 0.00 C ATOM 391 NE2 HIS A 28 -8.915 -7.318 2.672 1.00 0.00 N ATOM 0 H HIS A 28 -8.610 -3.290 0.081 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.536 -3.071 2.923 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -6.906 -3.671 1.438 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.043 -3.662 3.185 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.471 -5.891 4.286 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.023 -7.918 0.623 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.254 -8.144 3.165 1.00 0.00 H new ATOM 399 N ARG A 29 -8.042 -0.685 1.331 1.00 0.00 N ATOM 400 CA ARG A 29 -7.583 0.737 1.473 1.00 0.00 C ATOM 401 C ARG A 29 -6.350 0.817 2.386 1.00 0.00 C ATOM 402 O ARG A 29 -6.245 1.691 3.227 1.00 0.00 O ATOM 403 CB ARG A 29 -8.772 1.484 2.088 1.00 0.00 C ATOM 404 CG ARG A 29 -8.834 2.904 1.521 1.00 0.00 C ATOM 405 CD ARG A 29 -9.565 3.816 2.511 1.00 0.00 C ATOM 406 NE ARG A 29 -9.407 5.194 1.963 1.00 0.00 N ATOM 407 CZ ARG A 29 -10.305 6.109 2.224 1.00 0.00 C ATOM 408 NH1 ARG A 29 -10.201 6.843 3.304 1.00 0.00 N ATOM 409 NH2 ARG A 29 -11.307 6.289 1.402 1.00 0.00 N ATOM 0 H ARG A 29 -8.121 -1.014 0.369 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.287 1.170 0.517 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.699 0.954 1.871 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.671 1.519 3.173 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.827 3.279 1.340 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.351 2.902 0.561 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.617 3.544 2.594 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.135 3.738 3.510 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.599 5.423 1.385 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.419 6.702 3.943 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.902 7.556 3.506 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.386 5.717 0.561 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.009 7.001 1.602 1.00 0.00 H new ATOM 423 N TRP A 30 -5.419 -0.090 2.223 1.00 0.00 N ATOM 424 CA TRP A 30 -4.193 -0.072 3.079 1.00 0.00 C ATOM 425 C TRP A 30 -2.986 -0.638 2.316 1.00 0.00 C ATOM 426 O TRP A 30 -3.097 -1.048 1.175 1.00 0.00 O ATOM 427 CB TRP A 30 -4.547 -0.937 4.306 1.00 0.00 C ATOM 428 CG TRP A 30 -4.527 -2.411 3.983 1.00 0.00 C ATOM 429 CD1 TRP A 30 -4.603 -2.960 2.744 1.00 0.00 C ATOM 430 CD2 TRP A 30 -4.435 -3.532 4.911 1.00 0.00 C ATOM 431 NE1 TRP A 30 -4.553 -4.336 2.856 1.00 0.00 N ATOM 432 CE2 TRP A 30 -4.451 -4.737 4.171 1.00 0.00 C ATOM 433 CE3 TRP A 30 -4.338 -3.616 6.312 1.00 0.00 C ATOM 434 CZ2 TRP A 30 -4.373 -5.981 4.797 1.00 0.00 C ATOM 435 CZ3 TRP A 30 -4.260 -4.866 6.945 1.00 0.00 C ATOM 436 CH2 TRP A 30 -4.277 -6.046 6.189 1.00 0.00 C ATOM 0 H TRP A 30 -5.455 -0.842 1.535 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.910 0.939 3.373 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -3.840 -0.732 5.110 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -5.535 -0.659 4.672 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -4.689 -2.409 1.819 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -4.587 -4.977 2.063 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -4.323 -2.713 6.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -4.387 -6.887 4.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -4.186 -4.919 8.021 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -4.216 -7.005 6.682 1.00 0.00 H new ATOM 447 N CYS A 31 -1.835 -0.668 2.938 1.00 0.00 N ATOM 448 CA CYS A 31 -0.627 -1.214 2.248 1.00 0.00 C ATOM 449 C CYS A 31 -0.652 -2.745 2.296 1.00 0.00 C ATOM 450 O CYS A 31 -0.670 -3.341 3.356 1.00 0.00 O ATOM 451 CB CYS A 31 0.574 -0.668 3.028 1.00 0.00 C ATOM 452 SG CYS A 31 0.783 1.097 2.673 1.00 0.00 S ATOM 0 H CYS A 31 -1.679 -0.339 3.891 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.584 -0.923 1.198 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.424 -0.818 4.097 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.477 -1.213 2.753 1.00 0.00 H new ATOM 457 N LYS A 32 -0.665 -3.383 1.153 1.00 0.00 N ATOM 458 CA LYS A 32 -0.698 -4.877 1.123 1.00 0.00 C ATOM 459 C LYS A 32 0.572 -5.424 0.462 1.00 0.00 C ATOM 460 O LYS A 32 1.170 -4.782 -0.381 1.00 0.00 O ATOM 461 CB LYS A 32 -1.936 -5.231 0.292 1.00 0.00 C ATOM 462 CG LYS A 32 -2.152 -6.749 0.308 1.00 0.00 C ATOM 463 CD LYS A 32 -3.595 -7.068 -0.094 1.00 0.00 C ATOM 464 CE LYS A 32 -3.677 -7.247 -1.615 1.00 0.00 C ATOM 465 NZ LYS A 32 -4.988 -7.914 -1.860 1.00 0.00 N ATOM 0 H LYS A 32 -0.654 -2.933 0.238 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.743 -5.309 2.123 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.813 -4.725 0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.810 -4.883 -0.733 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.457 -7.232 -0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.945 -7.145 1.302 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.931 -7.975 0.408 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.258 -6.264 0.224 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.622 -6.287 -2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.851 -7.854 -1.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.113 -8.069 -2.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.010 -8.829 -1.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.757 -7.310 -1.504 1.00 0.00 H new ATOM 479 N TYR A 33 0.980 -6.609 0.837 1.00 0.00 N ATOM 480 CA TYR A 33 2.206 -7.210 0.233 1.00 0.00 C ATOM 481 C TYR A 33 1.810 -8.237 -0.833 1.00 0.00 C ATOM 482 O TYR A 33 1.046 -9.150 -0.575 1.00 0.00 O ATOM 483 CB TYR A 33 2.932 -7.889 1.398 1.00 0.00 C ATOM 484 CG TYR A 33 4.355 -8.207 0.996 1.00 0.00 C ATOM 485 CD1 TYR A 33 4.621 -9.295 0.155 1.00 0.00 C ATOM 486 CD2 TYR A 33 5.409 -7.417 1.470 1.00 0.00 C ATOM 487 CE1 TYR A 33 5.939 -9.592 -0.212 1.00 0.00 C ATOM 488 CE2 TYR A 33 6.727 -7.713 1.103 1.00 0.00 C ATOM 489 CZ TYR A 33 6.993 -8.801 0.263 1.00 0.00 C ATOM 490 OH TYR A 33 8.294 -9.094 -0.097 1.00 0.00 O ATOM 0 H TYR A 33 0.516 -7.187 1.537 1.00 0.00 H new ATOM 0 HA TYR A 33 2.837 -6.469 -0.257 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.928 -7.237 2.271 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.411 -8.804 1.681 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.809 -9.905 -0.211 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.205 -6.578 2.119 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.143 -10.431 -0.861 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.539 -7.102 1.468 1.00 0.00 H new ATOM 0 HH TYR A 33 8.679 -8.333 -0.580 1.00 0.00 H new ATOM 500 N GLU A 34 2.323 -8.093 -2.029 1.00 0.00 N ATOM 501 CA GLU A 34 1.977 -9.059 -3.115 1.00 0.00 C ATOM 502 C GLU A 34 2.829 -10.326 -2.985 1.00 0.00 C ATOM 503 O GLU A 34 4.040 -10.287 -3.111 1.00 0.00 O ATOM 504 CB GLU A 34 2.288 -8.327 -4.425 1.00 0.00 C ATOM 505 CG GLU A 34 1.040 -7.577 -4.904 1.00 0.00 C ATOM 506 CD GLU A 34 -0.014 -8.580 -5.385 1.00 0.00 C ATOM 507 OE1 GLU A 34 0.133 -9.083 -6.488 1.00 0.00 O ATOM 508 OE2 GLU A 34 -0.951 -8.827 -4.643 1.00 0.00 O ATOM 0 H GLU A 34 2.966 -7.349 -2.300 1.00 0.00 H new ATOM 0 HA GLU A 34 0.934 -9.372 -3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.110 -7.627 -4.276 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.610 -9.040 -5.184 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.635 -6.970 -4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.302 -6.895 -5.713 1.00 0.00 H new ATOM 515 N ILE A 35 2.201 -11.446 -2.726 1.00 0.00 N ATOM 516 CA ILE A 35 2.962 -12.726 -2.578 1.00 0.00 C ATOM 517 C ILE A 35 2.572 -13.722 -3.685 1.00 0.00 C ATOM 518 O ILE A 35 3.419 -14.585 -3.846 1.00 0.00 O ATOM 519 CB ILE A 35 2.582 -13.256 -1.183 1.00 0.00 C ATOM 520 CG1 ILE A 35 3.553 -14.370 -0.774 1.00 0.00 C ATOM 521 CG2 ILE A 35 1.152 -13.809 -1.190 1.00 0.00 C ATOM 522 CD1 ILE A 35 3.777 -14.318 0.740 1.00 0.00 C ATOM 0 H ILE A 35 1.191 -11.530 -2.610 1.00 0.00 H new ATOM 0 HA ILE A 35 4.038 -12.581 -2.672 1.00 0.00 H new ATOM 0 HB ILE A 35 2.640 -12.433 -0.470 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.151 -15.342 -1.060 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.502 -14.251 -1.298 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.900 -14.179 -0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.457 -13.017 -1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.081 -14.624 -1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.467 -15.109 1.033 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.198 -13.350 1.013 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.826 -14.458 1.254 1.00 0.00 H new HETATM 534 N NH2 A 36 2.229 -13.022 -4.740 1.00 0.00 N TER 537 NH2 A 36