USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 828 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: B 21 ASN : amide:sc= -1.39 K(o=-6.8,f=-4.7) USER MOD Set 1.2: B 52 ASN : amide:sc= -5.39! C(o=-6.8!,f=-12!) USER MOD Set 2.1: B 26 GLN : amide:sc= -8.55! K(o=-14!,f=-1.9) USER MOD Set 2.2: B 55 GLN : amide:sc= -5.66! K(o=-14!,f=-1.9) USER MOD Set 3.1: A 26 GLN : amide:sc= -6.66! K(o=-15!,f=-2.9) USER MOD Set 3.2: A 55 GLN : amide:sc= -8.7! C(o=-15!,f=-2.9!) USER MOD Set 4.1: A 21 ASN : amide:sc= -0.682 K(o=-7.2,f=-9.2) USER MOD Set 4.2: A 52 ASN : amide:sc= -6.54! C(o=-7.2!,f=-16!) USER MOD Set 5.1: A 13 THR OG1 : rot 106:sc= -3.6 USER MOD Set 5.2: B 17 MET CE :methyl -131:sc= -13.1! (180deg=-13.1!) USER MOD Single : A 4 LYS NZ :NH3+ -108:sc= -0.0968 (180deg=-2.71!) USER MOD Single : A 6 ASN : amide:sc= -3.72! C(o=-3.7!,f=-12!) USER MOD Single : A 7 LYS NZ :NH3+ 172:sc= -0.246 (180deg=-0.458) USER MOD Single : A 18 ASN : amide:sc= -3.96 X(o=-4,f=-3.6) USER MOD Single : A 23 ASN : amide:sc= -0.91 K(o=-0.91,f=-11!) USER MOD Single : A 28 LYS NZ :NH3+ -150:sc= -0.15 (180deg=-2.03) USER MOD Single : A 33 SER OG : rot 76:sc= 0.829 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -1.3 K(o=-1.3,f=0) USER MOD Single : A 41 SER OG : rot -94:sc= 0.598 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 49 LYS NZ :NH3+ -175:sc= -1 (180deg=-1.02) USER MOD Single : A 50 LYS NZ :NH3+ 171:sc= -0.358 (180deg=-0.72) USER MOD Single : B 6 ASN : amide:sc= -3.89! K(o=-3.9!,f=-0.41) USER MOD Single : B 7 LYS NZ :NH3+ -122:sc= 1.17 (180deg=-0.516) USER MOD Single : B 23 ASN : amide:sc= -8.87! C(o=-8.9!,f=-18!) USER MOD Single : B 24 SER OG : rot 171:sc= 0.805 USER MOD Single : B 32 ASN : amide:sc= -0.113 K(o=-0.11,f=-0.93) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 39 SER OG : rot 180:sc= 0.00272 USER MOD Single : B 40 GLN : amide:sc= -3.79 K(o=-3.8,f=-0.57) USER MOD Single : B 41 SER OG : rot 129:sc= -4.59! USER MOD Single : B 43 ASN : amide:sc= -0.606 K(o=-0.61,f=-0.026) USER MOD Single : B 49 LYS NZ :NH3+ 152:sc= -2.52! (180deg=-2.98!) USER MOD Single : B 50 LYS NZ :NH3+ 177:sc= 1.12 (180deg=1.09) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 5.762 -11.047 6.728 1.00 0.00 N ATOM 46 CA LYS A 4 5.186 -10.129 7.711 1.00 0.00 C ATOM 47 C LYS A 4 5.485 -8.670 7.358 1.00 0.00 C ATOM 48 O LYS A 4 4.582 -7.836 7.367 1.00 0.00 O ATOM 49 CB LYS A 4 5.741 -10.446 9.104 1.00 0.00 C ATOM 50 CG LYS A 4 4.931 -9.683 10.156 1.00 0.00 C ATOM 51 CD LYS A 4 5.537 -9.901 11.545 1.00 0.00 C ATOM 52 CE LYS A 4 4.695 -9.158 12.586 1.00 0.00 C ATOM 53 NZ LYS A 4 5.183 -7.755 12.711 1.00 0.00 N ATOM 0 HA LYS A 4 4.104 -10.264 7.704 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.688 -11.518 9.294 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.792 -10.164 9.162 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.921 -8.619 9.918 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.895 -10.022 10.145 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.568 -10.965 11.778 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.565 -9.540 11.567 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.645 -9.164 12.292 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.759 -9.664 13.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.678 -7.639 13.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.837 -7.544 11.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.375 -7.102 12.671 1.00 0.00 H new ATOM 67 N PHE A 5 6.750 -8.367 7.047 1.00 0.00 N ATOM 68 CA PHE A 5 7.138 -7.004 6.698 1.00 0.00 C ATOM 69 C PHE A 5 6.370 -6.539 5.462 1.00 0.00 C ATOM 70 O PHE A 5 5.936 -5.395 5.398 1.00 0.00 O ATOM 71 CB PHE A 5 8.664 -6.904 6.480 1.00 0.00 C ATOM 72 CG PHE A 5 9.035 -7.208 5.039 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.163 -8.537 4.614 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.253 -6.156 4.132 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.507 -8.816 3.287 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.597 -6.440 2.806 1.00 0.00 C ATOM 77 CZ PHE A 5 9.726 -7.770 2.384 1.00 0.00 C ATOM 0 H PHE A 5 7.513 -9.043 7.031 1.00 0.00 H new ATOM 0 HA PHE A 5 6.882 -6.345 7.528 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.007 -5.903 6.743 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.175 -7.601 7.144 1.00 0.00 H new ATOM 0 HD1 PHE A 5 8.996 -9.345 5.310 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.155 -5.131 4.458 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.604 -9.840 2.959 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.763 -5.634 2.107 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.995 -7.988 1.361 1.00 0.00 H new ATOM 87 N ASN A 6 6.197 -7.446 4.494 1.00 0.00 N ATOM 88 CA ASN A 6 5.461 -7.126 3.281 1.00 0.00 C ATOM 89 C ASN A 6 4.002 -6.870 3.615 1.00 0.00 C ATOM 90 O ASN A 6 3.409 -5.900 3.152 1.00 0.00 O ATOM 91 CB ASN A 6 5.547 -8.299 2.312 1.00 0.00 C ATOM 92 CG ASN A 6 4.875 -7.962 0.990 1.00 0.00 C ATOM 93 OD1 ASN A 6 4.822 -6.805 0.605 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.342 -8.918 0.282 1.00 0.00 N ATOM 0 H ASN A 6 6.557 -8.400 4.533 1.00 0.00 H new ATOM 0 HA ASN A 6 5.894 -6.234 2.827 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.592 -8.556 2.138 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.072 -9.175 2.753 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.877 -8.701 -0.600 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.390 -9.883 0.610 1.00 0.00 H new ATOM 101 N LYS A 7 3.443 -7.744 4.449 1.00 0.00 N ATOM 102 CA LYS A 7 2.063 -7.609 4.867 1.00 0.00 C ATOM 103 C LYS A 7 1.918 -6.281 5.582 1.00 0.00 C ATOM 104 O LYS A 7 0.947 -5.561 5.380 1.00 0.00 O ATOM 105 CB LYS A 7 1.686 -8.780 5.793 1.00 0.00 C ATOM 106 CG LYS A 7 0.164 -8.840 5.985 1.00 0.00 C ATOM 107 CD LYS A 7 -0.223 -10.126 6.734 1.00 0.00 C ATOM 108 CE LYS A 7 -0.705 -11.187 5.737 1.00 0.00 C ATOM 109 NZ LYS A 7 -1.078 -12.427 6.472 1.00 0.00 N ATOM 0 H LYS A 7 3.929 -8.549 4.844 1.00 0.00 H new ATOM 0 HA LYS A 7 1.393 -7.634 4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.043 -9.718 5.368 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.177 -8.661 6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.175 -7.968 6.545 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.334 -8.810 5.016 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.633 -10.503 7.293 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.008 -9.912 7.459 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.562 -10.812 5.177 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.080 -11.403 5.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.530 -13.096 5.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.224 -12.862 6.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.741 -12.191 7.238 1.00 0.00 H new ATOM 123 N GLU A 8 2.928 -5.959 6.390 1.00 0.00 N ATOM 124 CA GLU A 8 2.952 -4.704 7.128 1.00 0.00 C ATOM 125 C GLU A 8 3.170 -3.517 6.189 1.00 0.00 C ATOM 126 O GLU A 8 2.550 -2.471 6.343 1.00 0.00 O ATOM 127 CB GLU A 8 4.057 -4.748 8.192 1.00 0.00 C ATOM 128 CG GLU A 8 3.628 -5.649 9.357 1.00 0.00 C ATOM 129 CD GLU A 8 4.753 -5.739 10.389 1.00 0.00 C ATOM 130 OE1 GLU A 8 5.763 -6.356 10.085 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.588 -5.194 11.467 1.00 0.00 O ATOM 0 H GLU A 8 3.741 -6.554 6.548 1.00 0.00 H new ATOM 0 HA GLU A 8 1.986 -4.574 7.616 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.981 -5.123 7.753 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.263 -3.742 8.556 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.727 -5.251 9.823 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.382 -6.644 8.987 1.00 0.00 H new ATOM 138 N LEU A 9 4.032 -3.719 5.203 1.00 0.00 N ATOM 139 CA LEU A 9 4.328 -2.700 4.187 1.00 0.00 C ATOM 140 C LEU A 9 3.047 -2.356 3.450 1.00 0.00 C ATOM 141 O LEU A 9 2.762 -1.188 3.194 1.00 0.00 O ATOM 142 CB LEU A 9 5.400 -3.258 3.237 1.00 0.00 C ATOM 143 CG LEU A 9 5.624 -2.325 2.039 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.460 -1.100 2.408 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.355 -3.090 0.957 1.00 0.00 C ATOM 0 H LEU A 9 4.549 -4.590 5.078 1.00 0.00 H new ATOM 0 HA LEU A 9 4.712 -1.786 4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.337 -3.389 3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.097 -4.243 2.882 1.00 0.00 H new ATOM 0 HG LEU A 9 4.647 -1.980 1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.591 -0.470 1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.950 -0.533 3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.436 -1.422 2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.521 -2.438 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.315 -3.436 1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.757 -3.948 0.650 1.00 0.00 H new ATOM 157 N GLY A 10 2.248 -3.373 3.157 1.00 0.00 N ATOM 158 CA GLY A 10 0.988 -3.155 2.505 1.00 0.00 C ATOM 159 C GLY A 10 0.012 -2.555 3.489 1.00 0.00 C ATOM 160 O GLY A 10 -0.830 -1.734 3.144 1.00 0.00 O ATOM 0 H GLY A 10 2.459 -4.349 3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.118 -2.489 1.652 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.599 -4.096 2.118 1.00 0.00 H new ATOM 164 N TRP A 11 0.110 -3.002 4.724 1.00 0.00 N ATOM 165 CA TRP A 11 -0.787 -2.523 5.742 1.00 0.00 C ATOM 166 C TRP A 11 -0.567 -1.108 6.117 1.00 0.00 C ATOM 167 O TRP A 11 -1.517 -0.329 6.136 1.00 0.00 O ATOM 168 CB TRP A 11 -0.751 -3.398 6.962 1.00 0.00 C ATOM 169 CG TRP A 11 -2.148 -3.680 7.376 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.508 -3.861 8.642 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.380 -3.787 6.566 1.00 0.00 C ATOM 172 NE1 TRP A 11 -3.854 -4.144 8.682 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.433 -4.088 7.435 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.688 -3.670 5.179 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -5.727 -4.265 6.976 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -4.992 -3.841 4.717 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.016 -4.139 5.615 1.00 0.00 C ATOM 0 H TRP A 11 0.795 -3.688 5.040 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.780 -2.573 5.295 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.224 -4.328 6.747 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.209 -2.903 7.768 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.853 -3.797 9.498 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.363 -4.369 9.537 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.900 -3.446 4.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.517 -4.502 7.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.209 -3.743 3.664 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.027 -4.272 5.260 1.00 0.00 H new ATOM 188 N ALA A 12 0.657 -0.756 6.416 1.00 0.00 N ATOM 189 CA ALA A 12 0.905 0.599 6.777 1.00 0.00 C ATOM 190 C ALA A 12 0.436 1.464 5.607 1.00 0.00 C ATOM 191 O ALA A 12 -0.214 2.479 5.792 1.00 0.00 O ATOM 192 CB ALA A 12 2.384 0.808 7.085 1.00 0.00 C ATOM 0 H ALA A 12 1.469 -1.373 6.415 1.00 0.00 H new ATOM 0 HA ALA A 12 0.363 0.874 7.682 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.555 1.849 7.359 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.678 0.162 7.912 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.977 0.562 6.204 1.00 0.00 H new ATOM 198 N THR A 13 0.698 0.970 4.391 1.00 0.00 N ATOM 199 CA THR A 13 0.245 1.626 3.169 1.00 0.00 C ATOM 200 C THR A 13 -1.266 1.801 3.198 1.00 0.00 C ATOM 201 O THR A 13 -1.769 2.880 2.907 1.00 0.00 O ATOM 202 CB THR A 13 0.658 0.755 1.984 1.00 0.00 C ATOM 203 OG1 THR A 13 2.016 0.997 1.706 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.185 1.066 0.750 1.00 0.00 C ATOM 0 H THR A 13 1.226 0.112 4.232 1.00 0.00 H new ATOM 0 HA THR A 13 0.696 2.615 3.081 1.00 0.00 H new ATOM 0 HB THR A 13 0.500 -0.293 2.239 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.553 0.235 2.008 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.132 0.431 -0.077 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.236 0.877 0.970 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.054 2.112 0.474 1.00 0.00 H new ATOM 212 N TRP A 14 -1.965 0.728 3.557 1.00 0.00 N ATOM 213 CA TRP A 14 -3.425 0.732 3.626 1.00 0.00 C ATOM 214 C TRP A 14 -3.942 1.620 4.745 1.00 0.00 C ATOM 215 O TRP A 14 -4.863 2.400 4.549 1.00 0.00 O ATOM 216 CB TRP A 14 -3.892 -0.682 3.907 1.00 0.00 C ATOM 217 CG TRP A 14 -5.358 -0.815 3.646 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.299 -0.935 4.609 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.067 -0.860 2.374 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.531 -1.086 4.015 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.442 -1.048 2.644 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.669 -0.773 1.021 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.369 -1.154 1.623 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.603 -0.878 0.009 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.939 -1.072 0.307 1.00 0.00 C ATOM 0 H TRP A 14 -1.539 -0.165 3.807 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.805 1.113 2.678 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.341 -1.384 3.281 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.677 -0.942 4.943 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.114 -0.916 5.673 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.403 -1.211 4.529 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.628 -0.623 0.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.415 -1.299 1.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.288 -0.808 -1.022 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.657 -1.161 -0.495 1.00 0.00 H new ATOM 236 N GLU A 15 -3.349 1.479 5.919 1.00 0.00 N ATOM 237 CA GLU A 15 -3.763 2.256 7.075 1.00 0.00 C ATOM 238 C GLU A 15 -3.550 3.744 6.785 1.00 0.00 C ATOM 239 O GLU A 15 -4.385 4.579 7.135 1.00 0.00 O ATOM 240 CB GLU A 15 -2.980 1.777 8.299 1.00 0.00 C ATOM 241 CG GLU A 15 -3.372 0.314 8.623 1.00 0.00 C ATOM 242 CD GLU A 15 -2.368 -0.286 9.605 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.590 -0.168 10.800 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.387 -0.851 9.147 1.00 0.00 O ATOM 0 H GLU A 15 -2.579 0.834 6.096 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.823 2.115 7.285 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.909 1.844 8.108 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.192 2.419 9.154 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.375 0.283 9.049 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.396 -0.277 7.707 1.00 0.00 H new ATOM 251 N ILE A 16 -2.461 4.049 6.070 1.00 0.00 N ATOM 252 CA ILE A 16 -2.170 5.420 5.643 1.00 0.00 C ATOM 253 C ILE A 16 -3.207 5.811 4.578 1.00 0.00 C ATOM 254 O ILE A 16 -3.686 6.945 4.530 1.00 0.00 O ATOM 255 CB ILE A 16 -0.734 5.486 5.061 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.294 5.217 6.171 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.443 6.865 4.450 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.689 4.969 5.568 1.00 0.00 C ATOM 0 H ILE A 16 -1.766 3.363 5.775 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.227 6.111 6.484 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.659 4.728 4.281 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.332 6.067 6.853 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.014 4.351 6.758 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.571 6.879 4.051 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.152 7.064 3.647 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.541 7.632 5.219 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.403 4.780 6.369 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.650 4.104 4.905 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.002 5.846 5.002 1.00 0.00 H new ATOM 270 N PHE A 17 -3.557 4.820 3.749 1.00 0.00 N ATOM 271 CA PHE A 17 -4.555 4.969 2.681 1.00 0.00 C ATOM 272 C PHE A 17 -5.934 5.257 3.289 1.00 0.00 C ATOM 273 O PHE A 17 -6.732 6.010 2.729 1.00 0.00 O ATOM 274 CB PHE A 17 -4.632 3.639 1.910 1.00 0.00 C ATOM 275 CG PHE A 17 -4.825 3.830 0.423 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.716 4.013 -0.420 1.00 0.00 C ATOM 277 CD2 PHE A 17 -6.109 3.757 -0.120 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.897 4.117 -1.802 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.294 3.872 -1.498 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.189 4.047 -2.340 1.00 0.00 C ATOM 0 H PHE A 17 -3.153 3.885 3.800 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.270 5.791 2.024 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.717 3.072 2.082 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.455 3.044 2.304 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.723 4.073 0.000 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.961 3.611 0.528 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.045 4.251 -2.452 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.289 3.826 -1.915 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.333 4.128 -3.407 1.00 0.00 H new ATOM 290 N ASN A 18 -6.200 4.602 4.423 1.00 0.00 N ATOM 291 CA ASN A 18 -7.480 4.714 5.125 1.00 0.00 C ATOM 292 C ASN A 18 -7.496 5.832 6.175 1.00 0.00 C ATOM 293 O ASN A 18 -8.480 5.957 6.910 1.00 0.00 O ATOM 294 CB ASN A 18 -7.794 3.377 5.822 1.00 0.00 C ATOM 295 CG ASN A 18 -8.142 2.292 4.802 1.00 0.00 C ATOM 296 OD1 ASN A 18 -9.219 1.702 4.869 1.00 0.00 O ATOM 297 ND2 ASN A 18 -7.293 1.984 3.864 1.00 0.00 N ATOM 0 H ASN A 18 -5.533 3.979 4.879 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.232 4.960 4.375 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.935 3.062 6.414 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.626 3.511 6.513 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.522 1.256 3.188 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.399 2.471 3.805 1.00 0.00 H new ATOM 304 N LEU A 19 -6.436 6.646 6.262 1.00 0.00 N ATOM 305 CA LEU A 19 -6.430 7.718 7.257 1.00 0.00 C ATOM 306 C LEU A 19 -7.456 8.786 6.868 1.00 0.00 C ATOM 307 O LEU A 19 -7.552 9.153 5.695 1.00 0.00 O ATOM 308 CB LEU A 19 -5.040 8.339 7.404 1.00 0.00 C ATOM 309 CG LEU A 19 -4.297 7.693 8.588 1.00 0.00 C ATOM 310 CD1 LEU A 19 -2.925 8.308 8.692 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.026 7.953 9.911 1.00 0.00 C ATOM 0 H LEU A 19 -5.602 6.586 5.678 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.700 7.291 8.223 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.470 8.197 6.486 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.128 9.414 7.562 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.246 6.619 8.412 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.387 7.859 9.527 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.375 8.129 7.768 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.019 9.382 8.856 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.477 7.484 10.727 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.090 9.027 10.086 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.031 7.533 9.862 1.00 0.00 H new ATOM 323 N PRO A 20 -8.251 9.258 7.806 1.00 0.00 N ATOM 324 CA PRO A 20 -9.321 10.259 7.535 1.00 0.00 C ATOM 325 C PRO A 20 -8.866 11.718 7.370 1.00 0.00 C ATOM 326 O PRO A 20 -9.733 12.598 7.346 1.00 0.00 O ATOM 327 CB PRO A 20 -10.259 10.129 8.754 1.00 0.00 C ATOM 328 CG PRO A 20 -9.696 9.059 9.629 1.00 0.00 C ATOM 329 CD PRO A 20 -8.242 8.907 9.234 1.00 0.00 C ATOM 0 HA PRO A 20 -9.776 10.043 6.568 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.323 11.074 9.294 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.270 9.875 8.436 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.787 9.329 10.681 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.236 8.122 9.493 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.596 9.570 9.809 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.883 7.891 9.398 1.00 0.00 H new ATOM 337 N ASN A 21 -7.554 12.017 7.260 1.00 0.00 N ATOM 338 CA ASN A 21 -7.173 13.446 7.110 1.00 0.00 C ATOM 339 C ASN A 21 -5.954 13.680 6.218 1.00 0.00 C ATOM 340 O ASN A 21 -5.568 14.832 6.002 1.00 0.00 O ATOM 341 CB ASN A 21 -6.934 14.088 8.482 1.00 0.00 C ATOM 342 CG ASN A 21 -8.231 14.145 9.285 1.00 0.00 C ATOM 343 OD1 ASN A 21 -9.118 14.939 8.975 1.00 0.00 O ATOM 344 ND2 ASN A 21 -8.398 13.348 10.303 1.00 0.00 N ATOM 0 H ASN A 21 -6.786 11.346 7.270 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.019 13.919 6.610 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.186 13.516 9.031 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.536 15.094 8.354 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.263 13.383 10.842 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.663 12.689 10.561 1.00 0.00 H new ATOM 351 N LEU A 22 -5.358 12.621 5.688 1.00 0.00 N ATOM 352 CA LEU A 22 -4.193 12.783 4.813 1.00 0.00 C ATOM 353 C LEU A 22 -4.624 13.129 3.399 1.00 0.00 C ATOM 354 O LEU A 22 -5.691 12.706 2.948 1.00 0.00 O ATOM 355 CB LEU A 22 -3.367 11.504 4.789 1.00 0.00 C ATOM 356 CG LEU A 22 -2.907 11.165 6.204 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.128 9.865 6.183 1.00 0.00 C ATOM 358 CD2 LEU A 22 -1.998 12.266 6.744 1.00 0.00 C ATOM 0 H LEU A 22 -5.650 11.656 5.841 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.588 13.599 5.208 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.959 10.684 4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.504 11.629 4.135 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.785 11.072 6.843 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.799 9.622 7.193 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.765 9.065 5.807 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.259 9.972 5.534 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.678 12.011 7.754 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.124 12.365 6.100 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.542 13.210 6.764 1.00 0.00 H new ATOM 370 N ASN A 23 -3.776 13.884 2.692 1.00 0.00 N ATOM 371 CA ASN A 23 -4.080 14.256 1.316 1.00 0.00 C ATOM 372 C ASN A 23 -3.376 13.292 0.370 1.00 0.00 C ATOM 373 O ASN A 23 -2.485 12.546 0.786 1.00 0.00 O ATOM 374 CB ASN A 23 -3.680 15.718 1.033 1.00 0.00 C ATOM 375 CG ASN A 23 -2.163 15.895 0.973 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.422 15.177 1.631 1.00 0.00 O ATOM 377 ND2 ASN A 23 -1.659 16.827 0.213 1.00 0.00 N ATOM 0 H ASN A 23 -2.889 14.242 3.047 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.156 14.187 1.155 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.120 16.038 0.088 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.090 16.363 1.810 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.648 16.957 0.167 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.275 17.426 -0.336 1.00 0.00 H new ATOM 384 N GLY A 24 -3.797 13.296 -0.890 1.00 0.00 N ATOM 385 CA GLY A 24 -3.226 12.399 -1.889 1.00 0.00 C ATOM 386 C GLY A 24 -1.700 12.403 -1.868 1.00 0.00 C ATOM 387 O GLY A 24 -1.079 11.376 -2.117 1.00 0.00 O ATOM 0 H GLY A 24 -4.531 13.910 -1.244 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.587 11.386 -1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.574 12.693 -2.879 1.00 0.00 H new ATOM 391 N VAL A 25 -1.102 13.560 -1.579 1.00 0.00 N ATOM 392 CA VAL A 25 0.356 13.674 -1.547 1.00 0.00 C ATOM 393 C VAL A 25 0.966 13.028 -0.307 1.00 0.00 C ATOM 394 O VAL A 25 1.913 12.256 -0.432 1.00 0.00 O ATOM 395 CB VAL A 25 0.765 15.144 -1.640 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.290 15.266 -1.520 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.318 15.687 -3.001 1.00 0.00 C ATOM 0 H VAL A 25 -1.600 14.424 -1.366 1.00 0.00 H new ATOM 0 HA VAL A 25 0.745 13.131 -2.409 1.00 0.00 H new ATOM 0 HB VAL A 25 0.298 15.711 -0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.577 16.315 -1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.613 14.862 -0.561 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.764 14.708 -2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.602 16.736 -3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.798 15.116 -3.796 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.764 15.596 -3.092 1.00 0.00 H new ATOM 407 N GLN A 26 0.446 13.343 0.885 1.00 0.00 N ATOM 408 CA GLN A 26 1.002 12.761 2.100 1.00 0.00 C ATOM 409 C GLN A 26 0.871 11.250 2.079 1.00 0.00 C ATOM 410 O GLN A 26 1.829 10.544 2.389 1.00 0.00 O ATOM 411 CB GLN A 26 0.331 13.350 3.338 1.00 0.00 C ATOM 412 CG GLN A 26 1.147 14.564 3.812 1.00 0.00 C ATOM 413 CD GLN A 26 0.221 15.635 4.346 1.00 0.00 C ATOM 414 OE1 GLN A 26 0.015 16.668 3.710 1.00 0.00 O ATOM 415 NE2 GLN A 26 -0.356 15.439 5.481 1.00 0.00 N ATOM 0 H GLN A 26 -0.337 13.980 1.028 1.00 0.00 H new ATOM 0 HA GLN A 26 2.063 13.008 2.143 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.691 13.649 3.107 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.273 12.602 4.128 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.850 14.260 4.588 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.737 14.961 2.986 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.179 14.580 6.001 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.990 16.143 5.859 1.00 0.00 H new ATOM 424 N VAL A 27 -0.294 10.755 1.668 1.00 0.00 N ATOM 425 CA VAL A 27 -0.496 9.310 1.582 1.00 0.00 C ATOM 426 C VAL A 27 0.492 8.733 0.574 1.00 0.00 C ATOM 427 O VAL A 27 1.162 7.737 0.842 1.00 0.00 O ATOM 428 CB VAL A 27 -1.936 8.985 1.154 1.00 0.00 C ATOM 429 CG1 VAL A 27 -2.119 7.464 1.088 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.926 9.564 2.173 1.00 0.00 C ATOM 0 H VAL A 27 -1.098 11.319 1.394 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.328 8.866 2.563 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.124 9.424 0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.140 7.233 0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.421 7.045 0.363 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.926 7.031 2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.945 9.330 1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.735 9.128 3.154 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.802 10.646 2.226 1.00 0.00 H new ATOM 440 N LYS A 28 0.592 9.404 -0.572 1.00 0.00 N ATOM 441 CA LYS A 28 1.513 9.004 -1.632 1.00 0.00 C ATOM 442 C LYS A 28 2.953 9.044 -1.124 1.00 0.00 C ATOM 443 O LYS A 28 3.777 8.220 -1.508 1.00 0.00 O ATOM 444 CB LYS A 28 1.341 9.950 -2.841 1.00 0.00 C ATOM 445 CG LYS A 28 2.202 9.495 -4.028 1.00 0.00 C ATOM 446 CD LYS A 28 2.129 10.553 -5.139 1.00 0.00 C ATOM 447 CE LYS A 28 2.909 10.076 -6.369 1.00 0.00 C ATOM 448 NZ LYS A 28 2.643 10.996 -7.511 1.00 0.00 N ATOM 0 H LYS A 28 0.041 10.234 -0.790 1.00 0.00 H new ATOM 0 HA LYS A 28 1.289 7.983 -1.941 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.293 9.978 -3.138 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.618 10.965 -2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.235 9.354 -3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.849 8.533 -4.401 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.089 10.739 -5.407 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.540 11.497 -4.781 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.976 10.051 -6.149 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.613 9.060 -6.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.711 10.469 -8.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.688 11.398 -7.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.344 11.764 -7.508 1.00 0.00 H new ATOM 462 N ALA A 29 3.240 10.015 -0.259 1.00 0.00 N ATOM 463 CA ALA A 29 4.571 10.175 0.300 1.00 0.00 C ATOM 464 C ALA A 29 4.885 9.066 1.267 1.00 0.00 C ATOM 465 O ALA A 29 5.980 8.508 1.249 1.00 0.00 O ATOM 466 CB ALA A 29 4.666 11.494 1.038 1.00 0.00 C ATOM 0 H ALA A 29 2.562 10.703 0.068 1.00 0.00 H new ATOM 0 HA ALA A 29 5.284 10.149 -0.524 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.667 11.607 1.454 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.466 12.313 0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.933 11.513 1.845 1.00 0.00 H new ATOM 472 N PHE A 30 3.911 8.748 2.107 1.00 0.00 N ATOM 473 CA PHE A 30 4.084 7.703 3.067 1.00 0.00 C ATOM 474 C PHE A 30 4.284 6.406 2.315 1.00 0.00 C ATOM 475 O PHE A 30 5.143 5.602 2.673 1.00 0.00 O ATOM 476 CB PHE A 30 2.877 7.636 4.001 1.00 0.00 C ATOM 477 CG PHE A 30 2.757 8.929 4.797 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.884 9.470 5.444 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.520 9.597 4.888 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.771 10.657 6.164 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.420 10.781 5.613 1.00 0.00 C ATOM 482 CZ PHE A 30 2.542 11.307 6.248 1.00 0.00 C ATOM 0 H PHE A 30 3.000 9.206 2.132 1.00 0.00 H new ATOM 0 HA PHE A 30 4.957 7.894 3.691 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.968 7.471 3.422 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.980 6.790 4.681 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.836 8.965 5.382 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.649 9.190 4.395 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.637 11.074 6.657 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.471 11.292 5.683 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.459 12.226 6.810 1.00 0.00 H new ATOM 492 N ILE A 31 3.530 6.246 1.219 1.00 0.00 N ATOM 493 CA ILE A 31 3.683 5.073 0.385 1.00 0.00 C ATOM 494 C ILE A 31 5.053 5.097 -0.255 1.00 0.00 C ATOM 495 O ILE A 31 5.744 4.095 -0.272 1.00 0.00 O ATOM 496 CB ILE A 31 2.584 5.003 -0.693 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.242 4.691 -0.010 1.00 0.00 C ATOM 498 CG2 ILE A 31 2.903 3.908 -1.744 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.121 4.691 -1.046 1.00 0.00 C ATOM 0 H ILE A 31 2.822 6.909 0.903 1.00 0.00 H new ATOM 0 HA ILE A 31 3.584 4.184 1.007 1.00 0.00 H new ATOM 0 HB ILE A 31 2.533 5.961 -1.210 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.292 3.721 0.485 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.036 5.432 0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.111 3.880 -2.493 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.853 4.134 -2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.970 2.938 -1.251 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.827 4.469 -0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.064 5.671 -1.520 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.325 3.933 -1.802 1.00 0.00 H new ATOM 511 N ASP A 32 5.437 6.258 -0.765 1.00 0.00 N ATOM 512 CA ASP A 32 6.738 6.408 -1.408 1.00 0.00 C ATOM 513 C ASP A 32 7.857 6.052 -0.435 1.00 0.00 C ATOM 514 O ASP A 32 8.823 5.373 -0.791 1.00 0.00 O ATOM 515 CB ASP A 32 6.914 7.841 -1.920 1.00 0.00 C ATOM 516 CG ASP A 32 8.140 7.925 -2.826 1.00 0.00 C ATOM 517 OD1 ASP A 32 7.999 7.645 -4.006 1.00 0.00 O ATOM 518 OD2 ASP A 32 9.202 8.258 -2.326 1.00 0.00 O ATOM 0 H ASP A 32 4.871 7.107 -0.747 1.00 0.00 H new ATOM 0 HA ASP A 32 6.787 5.725 -2.256 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.025 8.152 -2.468 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.026 8.525 -1.079 1.00 0.00 H new ATOM 523 N SER A 33 7.686 6.500 0.797 1.00 0.00 N ATOM 524 CA SER A 33 8.642 6.229 1.865 1.00 0.00 C ATOM 525 C SER A 33 8.631 4.738 2.200 1.00 0.00 C ATOM 526 O SER A 33 9.670 4.134 2.454 1.00 0.00 O ATOM 527 CB SER A 33 8.268 7.055 3.094 1.00 0.00 C ATOM 528 OG SER A 33 8.362 8.437 2.775 1.00 0.00 O ATOM 0 H SER A 33 6.885 7.060 1.088 1.00 0.00 H new ATOM 0 HA SER A 33 9.646 6.505 1.542 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.255 6.812 3.416 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.932 6.815 3.924 1.00 0.00 H new ATOM 0 HG SER A 33 7.590 8.701 2.232 1.00 0.00 H new ATOM 534 N LEU A 34 7.433 4.161 2.154 1.00 0.00 N ATOM 535 CA LEU A 34 7.216 2.733 2.401 1.00 0.00 C ATOM 536 C LEU A 34 8.021 1.909 1.398 1.00 0.00 C ATOM 537 O LEU A 34 8.786 1.024 1.777 1.00 0.00 O ATOM 538 CB LEU A 34 5.722 2.463 2.213 1.00 0.00 C ATOM 539 CG LEU A 34 4.989 2.351 3.546 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.678 3.138 3.507 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.663 0.897 3.787 1.00 0.00 C ATOM 0 H LEU A 34 6.577 4.673 1.943 1.00 0.00 H new ATOM 0 HA LEU A 34 7.536 2.459 3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.280 3.266 1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.589 1.541 1.647 1.00 0.00 H new ATOM 0 HG LEU A 34 5.623 2.752 4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.170 3.046 4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.890 4.188 3.308 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.039 2.741 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.138 0.794 4.737 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.030 0.528 2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.586 0.318 3.818 1.00 0.00 H new ATOM 553 N ARG A 35 7.843 2.225 0.118 1.00 0.00 N ATOM 554 CA ARG A 35 8.572 1.520 -0.956 1.00 0.00 C ATOM 555 C ARG A 35 10.080 1.657 -0.737 1.00 0.00 C ATOM 556 O ARG A 35 10.831 0.686 -0.846 1.00 0.00 O ATOM 557 CB ARG A 35 8.260 2.099 -2.356 1.00 0.00 C ATOM 558 CG ARG A 35 6.972 2.922 -2.342 1.00 0.00 C ATOM 559 CD ARG A 35 6.486 3.234 -3.762 1.00 0.00 C ATOM 560 NE ARG A 35 5.715 2.118 -4.284 1.00 0.00 N ATOM 561 CZ ARG A 35 6.300 1.123 -4.920 1.00 0.00 C ATOM 562 NH1 ARG A 35 6.583 1.230 -6.182 1.00 0.00 N ATOM 563 NH2 ARG A 35 6.604 0.049 -4.271 1.00 0.00 N ATOM 0 H ARG A 35 7.210 2.955 -0.208 1.00 0.00 H new ATOM 0 HA ARG A 35 8.251 0.479 -0.917 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.090 2.724 -2.687 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.167 1.286 -3.076 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.197 2.377 -1.803 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.141 3.854 -1.802 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.875 4.136 -3.755 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.339 3.432 -4.411 1.00 0.00 H new ATOM 0 HE ARG A 35 4.703 2.105 -4.156 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.353 2.087 -6.685 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.036 0.457 -6.670 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.391 -0.023 -3.276 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.057 -0.727 -4.753 1.00 0.00 H new ATOM 577 N ASP A 36 10.498 2.888 -0.432 1.00 0.00 N ATOM 578 CA ASP A 36 11.902 3.207 -0.197 1.00 0.00 C ATOM 579 C ASP A 36 12.416 2.494 1.044 1.00 0.00 C ATOM 580 O ASP A 36 13.573 2.073 1.102 1.00 0.00 O ATOM 581 CB ASP A 36 12.060 4.713 -0.023 1.00 0.00 C ATOM 582 CG ASP A 36 13.542 5.092 0.014 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.117 5.263 -1.048 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.078 5.202 1.105 1.00 0.00 O ATOM 0 H ASP A 36 9.871 3.688 -0.342 1.00 0.00 H new ATOM 0 HA ASP A 36 12.483 2.871 -1.056 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.565 5.234 -0.842 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.573 5.032 0.898 1.00 0.00 H new ATOM 589 N ASP A 37 11.537 2.376 2.031 1.00 0.00 N ATOM 590 CA ASP A 37 11.881 1.725 3.287 1.00 0.00 C ATOM 591 C ASP A 37 10.657 1.052 3.889 1.00 0.00 C ATOM 592 O ASP A 37 9.855 1.687 4.580 1.00 0.00 O ATOM 593 CB ASP A 37 12.473 2.745 4.275 1.00 0.00 C ATOM 594 CG ASP A 37 13.199 2.035 5.427 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.696 1.025 5.904 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.245 2.518 5.824 1.00 0.00 O ATOM 0 H ASP A 37 10.579 2.724 1.985 1.00 0.00 H new ATOM 0 HA ASP A 37 12.632 0.961 3.086 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.168 3.402 3.752 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.678 3.374 4.674 1.00 0.00 H new ATOM 601 N PRO A 38 10.502 -0.223 3.633 1.00 0.00 N ATOM 602 CA PRO A 38 9.357 -1.005 4.153 1.00 0.00 C ATOM 603 C PRO A 38 9.445 -1.249 5.654 1.00 0.00 C ATOM 604 O PRO A 38 8.428 -1.294 6.340 1.00 0.00 O ATOM 605 CB PRO A 38 9.398 -2.314 3.376 1.00 0.00 C ATOM 606 CG PRO A 38 10.550 -2.247 2.426 1.00 0.00 C ATOM 607 CD PRO A 38 11.404 -1.055 2.823 1.00 0.00 C ATOM 0 HA PRO A 38 8.419 -0.467 4.017 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.513 -3.158 4.056 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.465 -2.466 2.834 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.134 -3.167 2.467 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.195 -2.139 1.401 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.280 -1.364 3.393 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.767 -0.515 1.948 1.00 0.00 H new ATOM 615 N SER A 39 10.662 -1.384 6.161 1.00 0.00 N ATOM 616 CA SER A 39 10.863 -1.587 7.591 1.00 0.00 C ATOM 617 C SER A 39 10.328 -0.366 8.330 1.00 0.00 C ATOM 618 O SER A 39 9.852 -0.456 9.463 1.00 0.00 O ATOM 619 CB SER A 39 12.352 -1.774 7.898 1.00 0.00 C ATOM 620 OG SER A 39 12.877 -2.802 7.067 1.00 0.00 O ATOM 0 H SER A 39 11.520 -1.357 5.610 1.00 0.00 H new ATOM 0 HA SER A 39 10.334 -2.483 7.915 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.890 -0.842 7.727 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.489 -2.033 8.948 1.00 0.00 H new ATOM 0 HG SER A 39 13.830 -2.923 7.259 1.00 0.00 H new ATOM 626 N GLN A 40 10.416 0.774 7.646 1.00 0.00 N ATOM 627 CA GLN A 40 9.953 2.047 8.174 1.00 0.00 C ATOM 628 C GLN A 40 8.446 2.230 7.935 1.00 0.00 C ATOM 629 O GLN A 40 7.876 3.232 8.325 1.00 0.00 O ATOM 630 CB GLN A 40 10.735 3.175 7.480 1.00 0.00 C ATOM 631 CG GLN A 40 10.611 4.498 8.252 1.00 0.00 C ATOM 632 CD GLN A 40 11.421 5.603 7.567 1.00 0.00 C ATOM 633 OE1 GLN A 40 11.301 6.771 7.934 1.00 0.00 O ATOM 634 NE2 GLN A 40 12.244 5.309 6.594 1.00 0.00 N ATOM 0 H GLN A 40 10.812 0.836 6.708 1.00 0.00 H new ATOM 0 HA GLN A 40 10.124 2.073 9.250 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.786 2.896 7.399 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.362 3.308 6.465 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.563 4.793 8.312 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.964 4.363 9.274 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.346 4.342 6.287 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.784 6.047 6.142 1.00 0.00 H new ATOM 643 N SER A 41 7.806 1.265 7.281 1.00 0.00 N ATOM 644 CA SER A 41 6.375 1.364 6.970 1.00 0.00 C ATOM 645 C SER A 41 5.537 1.740 8.194 1.00 0.00 C ATOM 646 O SER A 41 4.596 2.528 8.091 1.00 0.00 O ATOM 647 CB SER A 41 5.890 0.007 6.462 1.00 0.00 C ATOM 648 OG SER A 41 5.977 -0.954 7.508 1.00 0.00 O ATOM 0 H SER A 41 8.250 0.406 6.955 1.00 0.00 H new ATOM 0 HA SER A 41 6.254 2.147 6.221 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.861 0.085 6.111 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.493 -0.311 5.612 1.00 0.00 H new ATOM 0 HG SER A 41 6.834 -1.426 7.448 1.00 0.00 H new ATOM 654 N ALA A 42 5.899 1.189 9.344 1.00 0.00 N ATOM 655 CA ALA A 42 5.199 1.470 10.589 1.00 0.00 C ATOM 656 C ALA A 42 5.380 2.924 10.971 1.00 0.00 C ATOM 657 O ALA A 42 4.471 3.576 11.483 1.00 0.00 O ATOM 658 CB ALA A 42 5.800 0.619 11.693 1.00 0.00 C ATOM 0 H ALA A 42 6.680 0.540 9.440 1.00 0.00 H new ATOM 0 HA ALA A 42 4.140 1.250 10.457 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.283 0.822 12.631 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.692 -0.436 11.439 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.858 0.859 11.803 1.00 0.00 H new ATOM 664 N ASN A 43 6.587 3.399 10.718 1.00 0.00 N ATOM 665 CA ASN A 43 6.974 4.756 11.020 1.00 0.00 C ATOM 666 C ASN A 43 6.242 5.744 10.125 1.00 0.00 C ATOM 667 O ASN A 43 5.900 6.844 10.532 1.00 0.00 O ATOM 668 CB ASN A 43 8.475 4.870 10.797 1.00 0.00 C ATOM 669 CG ASN A 43 9.231 4.604 12.095 1.00 0.00 C ATOM 670 OD1 ASN A 43 9.157 5.395 13.033 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.957 3.525 12.205 1.00 0.00 N ATOM 0 H ASN A 43 7.330 2.844 10.293 1.00 0.00 H new ATOM 0 HA ASN A 43 6.715 4.992 12.052 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.790 4.158 10.034 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.719 5.865 10.425 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.464 3.337 13.070 1.00 0.00 H new ATOM 0 HD22 ASN A 43 10.018 2.869 11.426 1.00 0.00 H new ATOM 678 N LEU A 44 6.027 5.319 8.900 1.00 0.00 N ATOM 679 CA LEU A 44 5.352 6.113 7.889 1.00 0.00 C ATOM 680 C LEU A 44 3.901 6.161 8.211 1.00 0.00 C ATOM 681 O LEU A 44 3.257 7.197 8.125 1.00 0.00 O ATOM 682 CB LEU A 44 5.635 5.453 6.552 1.00 0.00 C ATOM 683 CG LEU A 44 7.156 5.401 6.443 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.605 4.454 5.352 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.654 6.807 6.212 1.00 0.00 C ATOM 0 H LEU A 44 6.319 4.399 8.570 1.00 0.00 H new ATOM 0 HA LEU A 44 5.704 7.144 7.854 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.203 4.453 6.508 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.201 6.024 5.731 1.00 0.00 H new ATOM 0 HG LEU A 44 7.582 5.010 7.367 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.694 4.444 5.305 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.242 3.450 5.570 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.203 4.785 4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.741 6.799 6.130 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.223 7.199 5.290 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.358 7.440 7.048 1.00 0.00 H new ATOM 697 N LEU A 45 3.441 5.028 8.671 1.00 0.00 N ATOM 698 CA LEU A 45 2.079 4.890 9.136 1.00 0.00 C ATOM 699 C LEU A 45 1.922 5.794 10.350 1.00 0.00 C ATOM 700 O LEU A 45 0.900 6.450 10.540 1.00 0.00 O ATOM 701 CB LEU A 45 1.813 3.424 9.502 1.00 0.00 C ATOM 702 CG LEU A 45 0.550 3.296 10.363 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.658 3.873 9.617 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.318 1.818 10.681 1.00 0.00 C ATOM 0 H LEU A 45 3.995 4.174 8.736 1.00 0.00 H new ATOM 0 HA LEU A 45 1.362 5.176 8.366 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.700 2.833 8.593 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.669 3.019 10.042 1.00 0.00 H new ATOM 0 HG LEU A 45 0.679 3.855 11.290 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.549 3.777 10.238 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.481 4.926 9.397 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.805 3.327 8.685 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.578 1.714 11.293 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.190 1.262 9.752 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.177 1.424 11.224 1.00 0.00 H new ATOM 716 N ALA A 46 2.984 5.832 11.142 1.00 0.00 N ATOM 717 CA ALA A 46 3.035 6.660 12.333 1.00 0.00 C ATOM 718 C ALA A 46 2.991 8.116 11.941 1.00 0.00 C ATOM 719 O ALA A 46 2.241 8.915 12.504 1.00 0.00 O ATOM 720 CB ALA A 46 4.338 6.407 13.086 1.00 0.00 C ATOM 0 H ALA A 46 3.832 5.290 10.975 1.00 0.00 H new ATOM 0 HA ALA A 46 2.183 6.413 12.966 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.370 7.032 13.979 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.393 5.358 13.375 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.183 6.651 12.443 1.00 0.00 H new ATOM 726 N GLU A 47 3.799 8.429 10.941 1.00 0.00 N ATOM 727 CA GLU A 47 3.884 9.759 10.407 1.00 0.00 C ATOM 728 C GLU A 47 2.548 10.152 9.837 1.00 0.00 C ATOM 729 O GLU A 47 2.116 11.286 9.953 1.00 0.00 O ATOM 730 CB GLU A 47 4.900 9.761 9.278 1.00 0.00 C ATOM 731 CG GLU A 47 6.330 9.877 9.796 1.00 0.00 C ATOM 732 CD GLU A 47 6.498 11.117 10.682 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.179 12.203 10.220 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.935 10.960 11.809 1.00 0.00 O ATOM 0 H GLU A 47 4.413 7.757 10.481 1.00 0.00 H new ATOM 0 HA GLU A 47 4.176 10.455 11.194 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.798 8.844 8.697 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.690 10.591 8.603 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.588 8.983 10.364 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.021 9.931 8.955 1.00 0.00 H new ATOM 741 N ALA A 48 1.908 9.182 9.219 1.00 0.00 N ATOM 742 CA ALA A 48 0.627 9.392 8.617 1.00 0.00 C ATOM 743 C ALA A 48 -0.397 9.675 9.685 1.00 0.00 C ATOM 744 O ALA A 48 -1.136 10.645 9.590 1.00 0.00 O ATOM 745 CB ALA A 48 0.265 8.146 7.845 1.00 0.00 C ATOM 0 H ALA A 48 2.267 8.232 9.125 1.00 0.00 H new ATOM 0 HA ALA A 48 0.653 10.248 7.942 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.709 8.279 7.375 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.016 7.963 7.077 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.226 7.295 8.525 1.00 0.00 H new ATOM 751 N LYS A 49 -0.406 8.844 10.724 1.00 0.00 N ATOM 752 CA LYS A 49 -1.319 9.055 11.830 1.00 0.00 C ATOM 753 C LYS A 49 -1.046 10.418 12.429 1.00 0.00 C ATOM 754 O LYS A 49 -1.959 11.089 12.890 1.00 0.00 O ATOM 755 CB LYS A 49 -1.146 7.966 12.893 1.00 0.00 C ATOM 756 CG LYS A 49 -1.732 6.648 12.377 1.00 0.00 C ATOM 757 CD LYS A 49 -1.591 5.560 13.448 1.00 0.00 C ATOM 758 CE LYS A 49 -2.166 4.241 12.921 1.00 0.00 C ATOM 759 NZ LYS A 49 -1.246 3.120 13.264 1.00 0.00 N ATOM 0 H LYS A 49 0.202 8.030 10.818 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.345 9.006 11.467 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.090 7.838 13.129 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.645 8.261 13.816 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.782 6.783 12.119 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.217 6.343 11.466 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.542 5.431 13.713 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.115 5.859 14.356 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.150 4.063 13.355 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.300 4.297 11.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.595 2.240 12.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.294 3.329 12.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.206 3.007 14.297 1.00 0.00 H new ATOM 773 N LYS A 50 0.224 10.834 12.387 1.00 0.00 N ATOM 774 CA LYS A 50 0.605 12.121 12.904 1.00 0.00 C ATOM 775 C LYS A 50 0.122 13.222 11.984 1.00 0.00 C ATOM 776 O LYS A 50 -0.368 14.257 12.437 1.00 0.00 O ATOM 777 CB LYS A 50 2.121 12.162 13.062 1.00 0.00 C ATOM 778 CG LYS A 50 2.550 13.449 13.770 1.00 0.00 C ATOM 779 CD LYS A 50 4.025 13.329 14.160 1.00 0.00 C ATOM 780 CE LYS A 50 4.897 13.181 12.908 1.00 0.00 C ATOM 781 NZ LYS A 50 4.653 14.319 11.975 1.00 0.00 N ATOM 0 H LYS A 50 0.993 10.288 11.998 1.00 0.00 H new ATOM 0 HA LYS A 50 0.142 12.280 13.878 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.457 11.296 13.633 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.597 12.102 12.083 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.401 14.308 13.115 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.937 13.614 14.656 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.332 14.210 14.723 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.166 12.468 14.814 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.949 13.151 13.190 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.674 12.238 12.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.353 14.293 11.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.696 14.241 11.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.740 15.217 12.492 1.00 0.00 H new ATOM 795 N LEU A 51 0.256 12.978 10.689 1.00 0.00 N ATOM 796 CA LEU A 51 -0.177 13.939 9.693 1.00 0.00 C ATOM 797 C LEU A 51 -1.692 14.016 9.678 1.00 0.00 C ATOM 798 O LEU A 51 -2.271 15.098 9.598 1.00 0.00 O ATOM 799 CB LEU A 51 0.350 13.553 8.304 1.00 0.00 C ATOM 800 CG LEU A 51 1.666 14.285 7.991 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.491 15.801 8.159 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.790 13.780 8.911 1.00 0.00 C ATOM 0 H LEU A 51 0.661 12.123 10.306 1.00 0.00 H new ATOM 0 HA LEU A 51 0.227 14.918 9.951 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.509 12.476 8.258 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.395 13.798 7.547 1.00 0.00 H new ATOM 0 HG LEU A 51 1.937 14.077 6.956 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.432 16.303 7.934 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.718 16.156 7.477 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.199 16.022 9.186 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.715 14.307 8.678 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.519 13.964 9.951 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.933 12.710 8.757 1.00 0.00 H new ATOM 814 N ASN A 52 -2.318 12.850 9.781 1.00 0.00 N ATOM 815 CA ASN A 52 -3.764 12.756 9.808 1.00 0.00 C ATOM 816 C ASN A 52 -4.273 13.436 11.060 1.00 0.00 C ATOM 817 O ASN A 52 -5.213 14.224 11.011 1.00 0.00 O ATOM 818 CB ASN A 52 -4.186 11.282 9.808 1.00 0.00 C ATOM 819 CG ASN A 52 -5.570 11.103 10.425 1.00 0.00 C ATOM 820 OD1 ASN A 52 -6.566 11.489 9.828 1.00 0.00 O ATOM 821 ND2 ASN A 52 -5.687 10.533 11.590 1.00 0.00 N ATOM 0 H ASN A 52 -1.838 11.952 9.847 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.184 13.243 8.928 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.189 10.902 8.786 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.458 10.693 10.365 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.610 10.408 12.006 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.856 10.212 12.086 1.00 0.00 H new ATOM 828 N ASP A 53 -3.625 13.126 12.180 1.00 0.00 N ATOM 829 CA ASP A 53 -4.008 13.719 13.450 1.00 0.00 C ATOM 830 C ASP A 53 -3.811 15.226 13.401 1.00 0.00 C ATOM 831 O ASP A 53 -4.639 15.990 13.902 1.00 0.00 O ATOM 832 CB ASP A 53 -3.199 13.115 14.607 1.00 0.00 C ATOM 833 CG ASP A 53 -3.631 11.669 14.909 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.586 11.193 14.306 1.00 0.00 O ATOM 835 OD2 ASP A 53 -2.994 11.053 15.746 1.00 0.00 O ATOM 0 H ASP A 53 -2.842 12.475 12.231 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.062 13.502 13.625 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.138 13.133 14.358 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.327 13.727 15.500 1.00 0.00 H new ATOM 840 N ALA A 54 -2.715 15.641 12.769 1.00 0.00 N ATOM 841 CA ALA A 54 -2.408 17.051 12.619 1.00 0.00 C ATOM 842 C ALA A 54 -3.458 17.713 11.733 1.00 0.00 C ATOM 843 O ALA A 54 -3.874 18.847 11.983 1.00 0.00 O ATOM 844 CB ALA A 54 -1.022 17.210 11.993 1.00 0.00 C ATOM 0 H ALA A 54 -2.026 15.014 12.353 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.415 17.530 13.598 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.793 18.270 11.881 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.276 16.744 12.637 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.008 16.730 11.014 1.00 0.00 H new ATOM 850 N GLN A 55 -3.887 16.981 10.703 1.00 0.00 N ATOM 851 CA GLN A 55 -4.899 17.474 9.771 1.00 0.00 C ATOM 852 C GLN A 55 -6.312 17.197 10.295 1.00 0.00 C ATOM 853 O GLN A 55 -7.300 17.603 9.679 1.00 0.00 O ATOM 854 CB GLN A 55 -4.696 16.793 8.420 1.00 0.00 C ATOM 855 CG GLN A 55 -3.447 17.367 7.741 1.00 0.00 C ATOM 856 CD GLN A 55 -3.086 16.520 6.530 1.00 0.00 C ATOM 857 OE1 GLN A 55 -3.152 16.986 5.394 1.00 0.00 O ATOM 858 NE2 GLN A 55 -2.708 15.291 6.712 1.00 0.00 N ATOM 0 H GLN A 55 -3.547 16.042 10.494 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.791 18.553 9.665 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.587 15.717 8.556 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.570 16.948 7.788 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.629 18.397 7.435 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.615 17.386 8.445 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.655 14.908 7.656 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.464 14.708 5.911 1.00 0.00 H new ATOM 867 N ALA A 56 -6.395 16.507 11.434 1.00 0.00 N ATOM 868 CA ALA A 56 -7.684 16.179 12.043 1.00 0.00 C ATOM 869 C ALA A 56 -8.207 17.351 12.859 1.00 0.00 C ATOM 870 O ALA A 56 -7.468 18.295 13.151 1.00 0.00 O ATOM 871 CB ALA A 56 -7.547 14.946 12.943 1.00 0.00 C ATOM 0 H ALA A 56 -5.586 16.165 11.952 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.393 15.964 11.243 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.513 14.713 13.390 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.208 14.098 12.349 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.822 15.150 13.731 1.00 0.00 H new ATOM 981 N PHE B 5 -10.838 -11.675 1.703 1.00 0.00 N ATOM 982 CA PHE B 5 -9.445 -11.557 1.287 1.00 0.00 C ATOM 983 C PHE B 5 -8.696 -10.413 1.977 1.00 0.00 C ATOM 984 O PHE B 5 -7.725 -9.923 1.441 1.00 0.00 O ATOM 985 CB PHE B 5 -9.410 -11.362 -0.239 1.00 0.00 C ATOM 986 CG PHE B 5 -9.570 -12.703 -0.909 1.00 0.00 C ATOM 987 CD1 PHE B 5 -10.704 -13.477 -0.646 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.587 -13.173 -1.787 1.00 0.00 C ATOM 989 CE1 PHE B 5 -10.855 -14.724 -1.258 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.738 -14.419 -2.400 1.00 0.00 C ATOM 991 CZ PHE B 5 -9.872 -15.196 -2.135 1.00 0.00 C ATOM 0 HA PHE B 5 -8.933 -12.473 1.583 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -10.208 -10.688 -0.551 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.468 -10.902 -0.538 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -11.463 -13.111 0.030 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.712 -12.573 -1.990 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -11.730 -15.323 -1.054 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.980 -14.783 -3.078 1.00 0.00 H new ATOM 0 HZ PHE B 5 -9.988 -16.160 -2.608 1.00 0.00 H new ATOM 1001 N ASN B 6 -9.123 -10.003 3.168 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.415 -8.934 3.889 1.00 0.00 C ATOM 1003 C ASN B 6 -6.987 -9.358 4.155 1.00 0.00 C ATOM 1004 O ASN B 6 -6.065 -8.594 3.892 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.136 -8.608 5.202 1.00 0.00 C ATOM 1006 CG ASN B 6 -10.517 -8.013 4.915 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -11.245 -7.661 5.841 1.00 0.00 O ATOM 1008 ND2 ASN B 6 -10.922 -7.876 3.682 1.00 0.00 N ATOM 0 H ASN B 6 -9.938 -10.381 3.651 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.406 -8.034 3.275 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -9.239 -9.512 5.802 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -8.543 -7.904 5.786 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -11.841 -7.478 3.488 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -10.320 -8.167 2.912 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.812 -10.595 4.615 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.477 -11.134 4.856 1.00 0.00 C ATOM 1017 C LYS B 7 -4.704 -11.175 3.540 1.00 0.00 C ATOM 1018 O LYS B 7 -3.509 -10.893 3.494 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.586 -12.551 5.436 1.00 0.00 C ATOM 1020 CG LYS B 7 -4.184 -13.108 5.730 1.00 0.00 C ATOM 1021 CD LYS B 7 -4.289 -14.497 6.381 1.00 0.00 C ATOM 1022 CE LYS B 7 -4.595 -15.561 5.316 1.00 0.00 C ATOM 1023 NZ LYS B 7 -3.385 -15.786 4.473 1.00 0.00 N ATOM 0 H LYS B 7 -7.574 -11.239 4.827 1.00 0.00 H new ATOM 0 HA LYS B 7 -4.952 -10.497 5.568 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -6.179 -12.534 6.351 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -6.105 -13.202 4.732 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.610 -13.174 4.806 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.646 -12.428 6.391 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -3.356 -14.739 6.890 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -5.073 -14.493 7.138 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -4.896 -16.493 5.794 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -5.430 -15.238 4.694 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -3.616 -15.597 3.477 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -2.624 -15.146 4.780 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -3.070 -16.772 4.574 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.417 -11.544 2.481 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.840 -11.647 1.146 1.00 0.00 C ATOM 1039 C GLU B 8 -4.556 -10.270 0.537 1.00 0.00 C ATOM 1040 O GLU B 8 -3.525 -10.060 -0.106 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.828 -12.416 0.246 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.982 -13.863 0.746 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.620 -14.558 0.835 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -3.948 -14.644 -0.180 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -4.266 -14.983 1.924 1.00 0.00 O ATOM 0 H GLU B 8 -6.409 -11.779 2.524 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.888 -12.173 1.219 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.797 -11.917 0.248 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.471 -12.415 -0.784 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.460 -13.865 1.725 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -6.634 -14.418 0.072 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.499 -9.353 0.728 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.409 -8.004 0.192 1.00 0.00 C ATOM 1054 C ARG B 9 -4.216 -7.248 0.768 1.00 0.00 C ATOM 1055 O ARG B 9 -3.456 -6.633 0.029 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.689 -7.233 0.545 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.683 -5.868 -0.158 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.751 -4.944 0.445 1.00 0.00 C ATOM 1059 NE ARG B 9 -7.546 -4.797 1.883 1.00 0.00 N ATOM 1060 CZ ARG B 9 -8.569 -4.814 2.730 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -9.399 -5.816 2.723 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -8.742 -3.833 3.564 1.00 0.00 N ATOM 0 H ARG B 9 -6.350 -9.528 1.262 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.284 -8.082 -0.888 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.565 -7.805 0.241 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.757 -7.096 1.624 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.700 -5.408 -0.061 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -6.869 -6.001 -1.224 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -7.709 -3.967 -0.036 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -8.744 -5.351 0.253 1.00 0.00 H new ATOM 0 HE ARG B 9 -6.599 -4.679 2.244 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -9.263 -6.586 2.068 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -10.185 -5.831 3.372 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -8.091 -3.047 3.569 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -9.528 -3.848 4.213 1.00 0.00 H new ATOM 1076 N VAL B 10 -4.070 -7.293 2.095 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.984 -6.582 2.771 1.00 0.00 C ATOM 1078 C VAL B 10 -1.621 -7.034 2.243 1.00 0.00 C ATOM 1079 O VAL B 10 -0.723 -6.205 2.072 1.00 0.00 O ATOM 1080 CB VAL B 10 -3.143 -6.642 4.319 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -3.545 -8.029 4.815 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -1.866 -6.161 5.046 1.00 0.00 C ATOM 0 H VAL B 10 -4.688 -7.812 2.719 1.00 0.00 H new ATOM 0 HA VAL B 10 -3.044 -5.521 2.529 1.00 0.00 H new ATOM 0 HB VAL B 10 -3.956 -5.958 4.562 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -3.642 -8.013 5.901 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -4.499 -8.312 4.370 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -2.782 -8.753 4.529 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -2.018 -6.218 6.124 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -1.026 -6.795 4.764 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -1.653 -5.130 4.764 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.478 -8.324 1.922 1.00 0.00 N ATOM 1093 CA ILE B 11 -0.220 -8.804 1.342 1.00 0.00 C ATOM 1094 C ILE B 11 -0.017 -8.166 -0.035 1.00 0.00 C ATOM 1095 O ILE B 11 1.085 -7.725 -0.360 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.208 -10.336 1.208 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.314 -10.967 2.613 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.094 -10.783 0.513 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.536 -12.246 2.723 1.00 0.00 C ATOM 0 H ILE B 11 -2.196 -9.037 2.049 1.00 0.00 H new ATOM 0 HA ILE B 11 0.592 -8.519 2.011 1.00 0.00 H new ATOM 0 HB ILE B 11 -1.055 -10.664 0.605 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.013 -10.246 3.362 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.356 -11.202 2.830 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.102 -11.869 0.418 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.151 -10.332 -0.478 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.951 -10.464 1.106 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.438 -12.663 3.725 1.00 0.00 H new ATOM 0 HD12 ILE B 11 0.191 -12.976 1.991 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.582 -12.006 2.531 1.00 0.00 H new ATOM 1111 N ALA B 12 -1.094 -8.113 -0.835 1.00 0.00 N ATOM 1112 CA ALA B 12 -1.037 -7.520 -2.168 1.00 0.00 C ATOM 1113 C ALA B 12 -0.690 -6.065 -2.079 1.00 0.00 C ATOM 1114 O ALA B 12 0.136 -5.601 -2.851 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.380 -7.670 -2.870 1.00 0.00 C ATOM 0 H ALA B 12 -2.012 -8.475 -0.576 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.268 -8.040 -2.739 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.323 -7.224 -3.863 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.627 -8.728 -2.961 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -3.152 -7.166 -2.289 1.00 0.00 H new ATOM 1121 N ILE B 13 -1.277 -5.360 -1.108 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.957 -3.951 -0.934 1.00 0.00 C ATOM 1123 C ILE B 13 0.540 -3.885 -0.737 1.00 0.00 C ATOM 1124 O ILE B 13 1.220 -3.108 -1.377 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.686 -3.369 0.299 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -3.200 -3.498 0.120 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -1.351 -1.882 0.479 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.907 -3.139 1.413 1.00 0.00 C ATOM 0 H ILE B 13 -1.959 -5.735 -0.448 1.00 0.00 H new ATOM 0 HA ILE B 13 -1.276 -3.366 -1.797 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.357 -3.927 1.175 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.537 -2.842 -0.683 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.455 -4.517 -0.173 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.875 -1.494 1.352 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -0.276 -1.766 0.619 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.663 -1.329 -0.407 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.984 -3.233 1.277 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.581 -3.813 2.205 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.665 -2.112 1.687 1.00 0.00 H new ATOM 1140 N GLY B 14 1.033 -4.775 0.115 1.00 0.00 N ATOM 1141 CA GLY B 14 2.457 -4.882 0.386 1.00 0.00 C ATOM 1142 C GLY B 14 3.245 -5.241 -0.860 1.00 0.00 C ATOM 1143 O GLY B 14 4.336 -4.725 -1.074 1.00 0.00 O ATOM 0 H GLY B 14 0.459 -5.439 0.634 1.00 0.00 H new ATOM 0 HA2 GLY B 14 2.822 -3.936 0.787 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.625 -5.639 1.152 1.00 0.00 H new ATOM 1147 N GLU B 15 2.691 -6.134 -1.671 1.00 0.00 N ATOM 1148 CA GLU B 15 3.368 -6.571 -2.873 1.00 0.00 C ATOM 1149 C GLU B 15 3.531 -5.398 -3.806 1.00 0.00 C ATOM 1150 O GLU B 15 4.593 -5.226 -4.396 1.00 0.00 O ATOM 1151 CB GLU B 15 2.572 -7.688 -3.532 1.00 0.00 C ATOM 1152 CG GLU B 15 3.454 -8.452 -4.547 1.00 0.00 C ATOM 1153 CD GLU B 15 4.593 -9.190 -3.832 1.00 0.00 C ATOM 1154 OE1 GLU B 15 4.350 -9.743 -2.767 1.00 0.00 O ATOM 1155 OE2 GLU B 15 5.695 -9.182 -4.355 1.00 0.00 O ATOM 0 H GLU B 15 1.780 -6.564 -1.515 1.00 0.00 H new ATOM 0 HA GLU B 15 4.356 -6.958 -2.625 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.201 -8.376 -2.772 1.00 0.00 H new ATOM 0 HB3 GLU B 15 1.701 -7.273 -4.038 1.00 0.00 H new ATOM 0 HG2 GLU B 15 2.844 -9.165 -5.101 1.00 0.00 H new ATOM 0 HG3 GLU B 15 3.867 -7.753 -5.274 1.00 0.00 H new ATOM 1162 N ILE B 16 2.493 -4.564 -3.910 1.00 0.00 N ATOM 1163 CA ILE B 16 2.621 -3.377 -4.777 1.00 0.00 C ATOM 1164 C ILE B 16 3.806 -2.548 -4.271 1.00 0.00 C ATOM 1165 O ILE B 16 4.690 -2.149 -5.031 1.00 0.00 O ATOM 1166 CB ILE B 16 1.398 -2.418 -4.733 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.053 -3.145 -4.698 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.426 -1.510 -5.967 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.147 -3.941 -5.973 1.00 0.00 C ATOM 0 H ILE B 16 1.597 -4.672 -3.435 1.00 0.00 H new ATOM 0 HA ILE B 16 2.728 -3.757 -5.793 1.00 0.00 H new ATOM 0 HB ILE B 16 1.483 -1.848 -3.808 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.014 -3.810 -3.836 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.755 -2.423 -4.581 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.570 -0.835 -5.942 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.347 -0.928 -5.970 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.380 -2.120 -6.869 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.108 -4.454 -5.935 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.129 -3.267 -6.829 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.652 -4.676 -6.072 1.00 0.00 H new ATOM 1181 N MET B 17 3.776 -2.300 -2.966 1.00 0.00 N ATOM 1182 CA MET B 17 4.796 -1.521 -2.268 1.00 0.00 C ATOM 1183 C MET B 17 6.181 -2.179 -2.380 1.00 0.00 C ATOM 1184 O MET B 17 7.201 -1.490 -2.343 1.00 0.00 O ATOM 1185 CB MET B 17 4.372 -1.366 -0.814 1.00 0.00 C ATOM 1186 CG MET B 17 2.951 -0.798 -0.755 1.00 0.00 C ATOM 1187 SD MET B 17 2.943 0.885 -1.373 1.00 0.00 S ATOM 1188 CE MET B 17 3.963 1.569 -0.066 1.00 0.00 C ATOM 0 H MET B 17 3.033 -2.638 -2.354 1.00 0.00 H new ATOM 0 HA MET B 17 4.883 -0.538 -2.731 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.411 -2.331 -0.308 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.062 -0.704 -0.291 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.278 -1.416 -1.349 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.583 -0.820 0.271 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.491 2.467 0.332 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.074 0.834 0.731 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.945 1.822 -0.466 1.00 0.00 H new ATOM 1198 N ARG B 18 6.214 -3.510 -2.533 1.00 0.00 N ATOM 1199 CA ARG B 18 7.484 -4.229 -2.680 1.00 0.00 C ATOM 1200 C ARG B 18 8.124 -3.904 -4.025 1.00 0.00 C ATOM 1201 O ARG B 18 9.348 -3.812 -4.135 1.00 0.00 O ATOM 1202 CB ARG B 18 7.264 -5.736 -2.600 1.00 0.00 C ATOM 1203 CG ARG B 18 6.917 -6.157 -1.169 1.00 0.00 C ATOM 1204 CD ARG B 18 8.164 -6.673 -0.443 1.00 0.00 C ATOM 1205 NE ARG B 18 8.531 -8.001 -0.933 1.00 0.00 N ATOM 1206 CZ ARG B 18 7.770 -9.063 -0.685 1.00 0.00 C ATOM 1207 NH1 ARG B 18 7.963 -9.767 0.391 1.00 0.00 N ATOM 1208 NH2 ARG B 18 6.834 -9.399 -1.523 1.00 0.00 N ATOM 0 H ARG B 18 5.385 -4.104 -2.558 1.00 0.00 H new ATOM 0 HA ARG B 18 8.140 -3.912 -1.869 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.460 -6.027 -3.275 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.162 -6.258 -2.930 1.00 0.00 H new ATOM 0 HG2 ARG B 18 6.498 -5.310 -0.626 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.153 -6.934 -1.188 1.00 0.00 H new ATOM 0 HD2 ARG B 18 8.993 -5.981 -0.595 1.00 0.00 H new ATOM 0 HD3 ARG B 18 7.976 -6.714 0.630 1.00 0.00 H new ATOM 0 HE ARG B 18 9.387 -8.115 -1.475 1.00 0.00 H new ATOM 0 HH11 ARG B 18 8.699 -9.505 1.047 1.00 0.00 H new ATOM 0 HH12 ARG B 18 7.378 -10.581 0.579 1.00 0.00 H new ATOM 0 HH21 ARG B 18 6.685 -8.848 -2.369 1.00 0.00 H new ATOM 0 HH22 ARG B 18 6.249 -10.213 -1.335 1.00 0.00 H new ATOM 1222 N LEU B 19 7.276 -3.753 -5.046 1.00 0.00 N ATOM 1223 CA LEU B 19 7.737 -3.462 -6.404 1.00 0.00 C ATOM 1224 C LEU B 19 8.481 -2.133 -6.465 1.00 0.00 C ATOM 1225 O LEU B 19 7.879 -1.076 -6.297 1.00 0.00 O ATOM 1226 CB LEU B 19 6.542 -3.405 -7.361 1.00 0.00 C ATOM 1227 CG LEU B 19 5.775 -4.730 -7.380 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.488 -4.559 -8.180 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.611 -5.812 -8.037 1.00 0.00 C ATOM 0 H LEU B 19 6.263 -3.828 -4.956 1.00 0.00 H new ATOM 0 HA LEU B 19 8.419 -4.260 -6.700 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.872 -2.600 -7.060 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.891 -3.171 -8.367 1.00 0.00 H new ATOM 0 HG LEU B 19 5.549 -5.017 -6.353 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.941 -5.502 -8.195 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.871 -3.788 -7.717 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.731 -4.265 -9.201 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.054 -6.749 -8.044 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.843 -5.521 -9.061 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.538 -5.945 -7.479 1.00 0.00 H new ATOM 1241 N PRO B 20 9.771 -2.162 -6.711 1.00 0.00 N ATOM 1242 CA PRO B 20 10.598 -0.931 -6.798 1.00 0.00 C ATOM 1243 C PRO B 20 10.460 -0.196 -8.138 1.00 0.00 C ATOM 1244 O PRO B 20 10.962 0.921 -8.279 1.00 0.00 O ATOM 1245 CB PRO B 20 12.037 -1.442 -6.607 1.00 0.00 C ATOM 1246 CG PRO B 20 11.961 -2.920 -6.414 1.00 0.00 C ATOM 1247 CD PRO B 20 10.604 -3.356 -6.933 1.00 0.00 C ATOM 0 HA PRO B 20 10.287 -0.197 -6.054 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.650 -1.199 -7.475 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.503 -0.965 -5.745 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.763 -3.423 -6.955 1.00 0.00 H new ATOM 0 HG3 PRO B 20 12.075 -3.180 -5.362 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.643 -3.631 -7.987 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.223 -4.222 -6.391 1.00 0.00 H new ATOM 1255 N ASN B 21 9.801 -0.823 -9.124 1.00 0.00 N ATOM 1256 CA ASN B 21 9.649 -0.197 -10.440 1.00 0.00 C ATOM 1257 C ASN B 21 8.330 0.569 -10.552 1.00 0.00 C ATOM 1258 O ASN B 21 8.196 1.437 -11.418 1.00 0.00 O ATOM 1259 CB ASN B 21 9.735 -1.255 -11.543 1.00 0.00 C ATOM 1260 CG ASN B 21 11.040 -2.045 -11.436 1.00 0.00 C ATOM 1261 OD1 ASN B 21 12.077 -1.495 -11.061 1.00 0.00 O ATOM 1262 ND2 ASN B 21 11.051 -3.308 -11.752 1.00 0.00 N ATOM 0 H ASN B 21 9.373 -1.745 -9.036 1.00 0.00 H new ATOM 0 HA ASN B 21 10.463 0.518 -10.561 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.886 -1.935 -11.469 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.674 -0.775 -12.520 1.00 0.00 H new ATOM 0 HD21 ASN B 21 11.918 -3.842 -11.689 1.00 0.00 H new ATOM 0 HD22 ASN B 21 10.193 -3.764 -12.062 1.00 0.00 H new ATOM 1269 N LEU B 22 7.357 0.262 -9.682 1.00 0.00 N ATOM 1270 CA LEU B 22 6.070 0.961 -9.730 1.00 0.00 C ATOM 1271 C LEU B 22 6.194 2.387 -9.217 1.00 0.00 C ATOM 1272 O LEU B 22 7.013 2.686 -8.346 1.00 0.00 O ATOM 1273 CB LEU B 22 4.995 0.259 -8.875 1.00 0.00 C ATOM 1274 CG LEU B 22 4.702 -1.158 -9.355 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.392 -1.650 -8.728 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.555 -1.159 -10.855 1.00 0.00 C ATOM 0 H LEU B 22 7.434 -0.448 -8.954 1.00 0.00 H new ATOM 0 HA LEU B 22 5.772 0.955 -10.778 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.325 0.227 -7.837 1.00 0.00 H new ATOM 0 HB3 LEU B 22 4.076 0.845 -8.899 1.00 0.00 H new ATOM 0 HG LEU B 22 5.522 -1.814 -9.062 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.182 -2.663 -9.071 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.485 -1.647 -7.642 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.576 -0.990 -9.025 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.345 -2.172 -11.199 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.734 -0.501 -11.141 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.479 -0.805 -11.311 1.00 0.00 H new ATOM 1288 N ASN B 23 5.327 3.246 -9.739 1.00 0.00 N ATOM 1289 CA ASN B 23 5.268 4.634 -9.313 1.00 0.00 C ATOM 1290 C ASN B 23 4.440 4.672 -8.025 1.00 0.00 C ATOM 1291 O ASN B 23 3.601 3.798 -7.816 1.00 0.00 O ATOM 1292 CB ASN B 23 4.631 5.449 -10.477 1.00 0.00 C ATOM 1293 CG ASN B 23 3.609 6.492 -10.036 1.00 0.00 C ATOM 1294 OD1 ASN B 23 3.778 7.159 -9.033 1.00 0.00 O ATOM 1295 ND2 ASN B 23 2.546 6.682 -10.765 1.00 0.00 N ATOM 0 H ASN B 23 4.652 3.001 -10.463 1.00 0.00 H new ATOM 0 HA ASN B 23 6.243 5.071 -9.099 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.426 5.949 -11.030 1.00 0.00 H new ATOM 0 HB3 ASN B 23 4.149 4.756 -11.167 1.00 0.00 H new ATOM 0 HD21 ASN B 23 1.861 7.387 -10.494 1.00 0.00 H new ATOM 0 HD22 ASN B 23 2.399 6.126 -11.607 1.00 0.00 H new ATOM 1302 N SER B 24 4.659 5.673 -7.169 1.00 0.00 N ATOM 1303 CA SER B 24 3.897 5.759 -5.920 1.00 0.00 C ATOM 1304 C SER B 24 2.412 5.886 -6.243 1.00 0.00 C ATOM 1305 O SER B 24 1.570 5.233 -5.629 1.00 0.00 O ATOM 1306 CB SER B 24 4.368 6.945 -5.080 1.00 0.00 C ATOM 1307 OG SER B 24 3.773 6.868 -3.793 1.00 0.00 O ATOM 0 H SER B 24 5.340 6.419 -7.311 1.00 0.00 H new ATOM 0 HA SER B 24 4.062 4.852 -5.338 1.00 0.00 H new ATOM 0 HB2 SER B 24 5.454 6.936 -4.993 1.00 0.00 H new ATOM 0 HB3 SER B 24 4.094 7.882 -5.565 1.00 0.00 H new ATOM 0 HG SER B 24 4.175 7.542 -3.206 1.00 0.00 H new ATOM 1313 N LEU B 25 2.120 6.701 -7.251 1.00 0.00 N ATOM 1314 CA LEU B 25 0.760 6.894 -7.717 1.00 0.00 C ATOM 1315 C LEU B 25 0.269 5.630 -8.418 1.00 0.00 C ATOM 1316 O LEU B 25 -0.899 5.263 -8.289 1.00 0.00 O ATOM 1317 CB LEU B 25 0.679 8.095 -8.673 1.00 0.00 C ATOM 1318 CG LEU B 25 -0.130 9.217 -8.045 1.00 0.00 C ATOM 1319 CD1 LEU B 25 -0.247 10.392 -9.024 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -1.515 8.682 -7.698 1.00 0.00 C ATOM 0 H LEU B 25 2.818 7.241 -7.762 1.00 0.00 H new ATOM 0 HA LEU B 25 0.122 7.098 -6.857 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.683 8.449 -8.908 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.220 7.789 -9.613 1.00 0.00 H new ATOM 0 HG LEU B 25 0.366 9.572 -7.141 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.829 11.191 -8.565 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.749 10.762 -9.269 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.744 10.059 -9.935 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -2.109 9.476 -7.246 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -2.008 8.332 -8.605 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.420 7.855 -6.995 1.00 0.00 H new ATOM 1332 N GLN B 26 1.177 4.946 -9.132 1.00 0.00 N ATOM 1333 CA GLN B 26 0.804 3.695 -9.807 1.00 0.00 C ATOM 1334 C GLN B 26 0.423 2.675 -8.755 1.00 0.00 C ATOM 1335 O GLN B 26 -0.506 1.889 -8.916 1.00 0.00 O ATOM 1336 CB GLN B 26 1.986 3.113 -10.585 1.00 0.00 C ATOM 1337 CG GLN B 26 1.895 3.425 -12.085 1.00 0.00 C ATOM 1338 CD GLN B 26 3.118 2.853 -12.794 1.00 0.00 C ATOM 1339 OE1 GLN B 26 3.300 3.070 -13.991 1.00 0.00 O ATOM 1340 NE2 GLN B 26 3.965 2.117 -12.126 1.00 0.00 N ATOM 0 H GLN B 26 2.149 5.229 -9.255 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.017 3.910 -10.491 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.917 3.517 -10.186 1.00 0.00 H new ATOM 0 HB3 GLN B 26 2.019 2.033 -10.440 1.00 0.00 H new ATOM 0 HG2 GLN B 26 0.984 2.996 -12.503 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.840 4.502 -12.241 1.00 0.00 H new ATOM 0 HE21 GLN B 26 3.813 1.938 -11.133 1.00 0.00 H new ATOM 0 HE22 GLN B 26 4.779 1.721 -12.597 1.00 0.00 H new ATOM 1349 N VAL B 27 1.180 2.720 -7.673 1.00 0.00 N ATOM 1350 CA VAL B 27 0.985 1.832 -6.552 1.00 0.00 C ATOM 1351 C VAL B 27 -0.359 2.112 -5.923 1.00 0.00 C ATOM 1352 O VAL B 27 -1.130 1.195 -5.674 1.00 0.00 O ATOM 1353 CB VAL B 27 2.163 2.005 -5.585 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.864 1.391 -4.214 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.378 1.307 -6.209 1.00 0.00 C ATOM 0 H VAL B 27 1.950 3.378 -7.551 1.00 0.00 H new ATOM 0 HA VAL B 27 0.970 0.787 -6.861 1.00 0.00 H new ATOM 0 HB VAL B 27 2.351 3.067 -5.429 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.722 1.533 -3.557 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.990 1.877 -3.780 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.667 0.325 -4.328 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.237 1.410 -5.546 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.156 0.250 -6.353 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.606 1.764 -7.172 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.658 3.389 -5.748 1.00 0.00 N ATOM 1366 CA VAL B 28 -1.940 3.794 -5.227 1.00 0.00 C ATOM 1367 C VAL B 28 -3.030 3.290 -6.176 1.00 0.00 C ATOM 1368 O VAL B 28 -4.116 2.928 -5.743 1.00 0.00 O ATOM 1369 CB VAL B 28 -1.999 5.323 -5.098 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.383 5.731 -4.587 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -0.916 5.809 -4.116 1.00 0.00 C ATOM 0 H VAL B 28 -0.024 4.159 -5.962 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.093 3.368 -4.235 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.820 5.777 -6.073 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.431 6.816 -4.493 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.144 5.393 -5.290 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.560 5.275 -3.613 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -0.964 6.895 -4.030 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.084 5.359 -3.137 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.067 5.517 -4.485 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.716 3.256 -7.475 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.660 2.783 -8.477 1.00 0.00 C ATOM 1383 C ALA B 29 -4.061 1.350 -8.160 1.00 0.00 C ATOM 1384 O ALA B 29 -5.248 1.000 -8.172 1.00 0.00 O ATOM 1385 CB ALA B 29 -2.997 2.837 -9.864 1.00 0.00 C ATOM 0 H ALA B 29 -1.815 3.551 -7.851 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.547 3.416 -8.472 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.701 2.483 -10.618 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.709 3.864 -10.090 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.111 2.202 -9.869 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.057 0.533 -7.848 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.288 -0.836 -7.512 1.00 0.00 C ATOM 1393 C PHE B 30 -3.939 -0.938 -6.131 1.00 0.00 C ATOM 1394 O PHE B 30 -4.917 -1.658 -5.969 1.00 0.00 O ATOM 1395 CB PHE B 30 -1.947 -1.586 -7.586 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.417 -1.533 -9.018 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.181 -2.043 -10.094 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.169 -0.934 -9.286 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.697 -1.945 -11.396 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.300 -0.850 -10.591 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.462 -1.350 -11.646 1.00 0.00 C ATOM 0 H PHE B 30 -2.077 0.815 -7.826 1.00 0.00 H new ATOM 0 HA PHE B 30 -3.980 -1.296 -8.217 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.227 -1.136 -6.903 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.079 -2.622 -7.273 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.138 -2.507 -9.906 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.424 -0.539 -8.474 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.282 -2.332 -12.217 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.259 -0.395 -10.789 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.094 -1.276 -12.659 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.427 -0.179 -5.152 1.00 0.00 N ATOM 1412 CA ILE B 31 -3.994 -0.194 -3.797 1.00 0.00 C ATOM 1413 C ILE B 31 -5.473 0.189 -3.835 1.00 0.00 C ATOM 1414 O ILE B 31 -6.315 -0.485 -3.249 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.238 0.796 -2.891 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.754 0.399 -2.779 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -3.861 0.786 -1.487 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -0.960 1.563 -2.174 1.00 0.00 C ATOM 0 H ILE B 31 -2.630 0.446 -5.271 1.00 0.00 H new ATOM 0 HA ILE B 31 -3.892 -1.203 -3.396 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.312 1.792 -3.328 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.650 -0.489 -2.156 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.358 0.147 -3.763 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.326 1.487 -0.846 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -4.908 1.081 -1.552 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -3.792 -0.217 -1.065 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.091 1.284 -2.094 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.055 2.440 -2.814 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.351 1.794 -1.183 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.774 1.273 -4.535 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.144 1.751 -4.660 1.00 0.00 C ATOM 1432 C ASN B 32 -8.052 0.667 -5.253 1.00 0.00 C ATOM 1433 O ASN B 32 -9.229 0.588 -4.906 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.172 2.996 -5.553 1.00 0.00 C ATOM 1435 CG ASN B 32 -8.486 3.761 -5.400 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -9.421 3.300 -4.742 1.00 0.00 O ATOM 1437 ND2 ASN B 32 -8.604 4.922 -5.972 1.00 0.00 N ATOM 0 H ASN B 32 -5.084 1.841 -5.027 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.515 2.001 -3.666 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.337 3.648 -5.297 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -7.039 2.702 -6.594 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -9.470 5.452 -5.876 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -7.830 5.303 -6.516 1.00 0.00 H new ATOM 1444 N SER B 33 -7.501 -0.182 -6.132 1.00 0.00 N ATOM 1445 CA SER B 33 -8.285 -1.248 -6.720 1.00 0.00 C ATOM 1446 C SER B 33 -8.525 -2.334 -5.682 1.00 0.00 C ATOM 1447 O SER B 33 -9.562 -2.999 -5.696 1.00 0.00 O ATOM 1448 CB SER B 33 -7.601 -1.778 -7.960 1.00 0.00 C ATOM 1449 OG SER B 33 -8.037 -1.037 -9.093 1.00 0.00 O ATOM 0 H SER B 33 -6.529 -0.144 -6.440 1.00 0.00 H new ATOM 0 HA SER B 33 -9.257 -0.866 -7.032 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.519 -1.699 -7.854 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.832 -2.835 -8.092 1.00 0.00 H new ATOM 0 HG SER B 33 -7.593 -1.378 -9.897 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.584 -2.470 -4.739 1.00 0.00 N ATOM 1456 CA LEU B 34 -7.755 -3.432 -3.654 1.00 0.00 C ATOM 1457 C LEU B 34 -8.983 -2.971 -2.877 1.00 0.00 C ATOM 1458 O LEU B 34 -9.834 -3.765 -2.472 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.496 -3.472 -2.753 1.00 0.00 C ATOM 1460 CG LEU B 34 -5.229 -3.633 -3.622 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -4.012 -4.007 -2.784 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.459 -4.712 -4.660 1.00 0.00 C ATOM 0 H LEU B 34 -6.715 -1.936 -4.708 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.890 -4.446 -4.031 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.430 -2.556 -2.165 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.570 -4.299 -2.047 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.034 -2.674 -4.102 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.142 -4.111 -3.432 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -3.824 -3.226 -2.047 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.198 -4.952 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.564 -4.824 -5.272 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.678 -5.656 -4.161 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.300 -4.433 -5.295 1.00 0.00 H new ATOM 1474 N ARG B 35 -9.074 -1.644 -2.764 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.213 -0.965 -2.132 1.00 0.00 C ATOM 1476 C ARG B 35 -11.481 -1.227 -2.936 1.00 0.00 C ATOM 1477 O ARG B 35 -12.536 -1.524 -2.373 1.00 0.00 O ATOM 1478 CB ARG B 35 -9.936 0.551 -2.121 1.00 0.00 C ATOM 1479 CG ARG B 35 -10.069 1.142 -0.710 1.00 0.00 C ATOM 1480 CD ARG B 35 -8.803 1.934 -0.362 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.558 1.893 1.073 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.328 2.568 1.916 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -10.423 2.028 2.369 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -8.991 3.768 2.290 1.00 0.00 N ATOM 0 H ARG B 35 -8.358 -1.005 -3.109 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.345 -1.338 -1.116 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -8.932 0.740 -2.502 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -10.632 1.053 -2.793 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -10.942 1.792 -0.658 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -10.222 0.344 0.016 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -7.948 1.519 -0.895 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -8.911 2.968 -0.690 1.00 0.00 H new ATOM 0 HE ARG B 35 -7.783 1.337 1.435 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -10.687 1.088 2.075 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -11.016 2.545 3.017 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -8.133 4.191 1.935 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -9.584 4.286 2.938 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.352 -1.112 -4.257 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.472 -1.333 -5.163 1.00 0.00 C ATOM 1500 C ASP B 36 -13.038 -2.737 -4.963 1.00 0.00 C ATOM 1501 O ASP B 36 -14.254 -2.932 -4.975 1.00 0.00 O ATOM 1502 CB ASP B 36 -11.998 -1.145 -6.619 1.00 0.00 C ATOM 1503 CG ASP B 36 -11.601 0.317 -6.899 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -11.861 1.175 -6.066 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -11.036 0.555 -7.953 1.00 0.00 O ATOM 0 H ASP B 36 -10.478 -0.866 -4.722 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.260 -0.611 -4.949 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -11.147 -1.798 -6.813 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -12.792 -1.445 -7.303 1.00 0.00 H new ATOM 1510 N ASP B 37 -12.136 -3.696 -4.749 1.00 0.00 N ATOM 1511 CA ASP B 37 -12.512 -5.092 -4.517 1.00 0.00 C ATOM 1512 C ASP B 37 -11.274 -5.925 -4.202 1.00 0.00 C ATOM 1513 O ASP B 37 -10.403 -6.100 -5.058 1.00 0.00 O ATOM 1514 CB ASP B 37 -13.220 -5.699 -5.746 1.00 0.00 C ATOM 1515 CG ASP B 37 -14.726 -5.813 -5.493 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -15.108 -6.646 -4.686 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -15.475 -5.078 -6.114 1.00 0.00 O ATOM 0 H ASP B 37 -11.130 -3.529 -4.732 1.00 0.00 H new ATOM 0 HA ASP B 37 -13.200 -5.108 -3.672 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -13.038 -5.077 -6.622 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -12.806 -6.684 -5.963 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.185 -6.466 -3.006 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.044 -7.324 -2.610 1.00 0.00 C ATOM 1524 C PRO B 38 -10.118 -8.700 -3.274 1.00 0.00 C ATOM 1525 O PRO B 38 -9.211 -9.522 -3.125 1.00 0.00 O ATOM 1526 CB PRO B 38 -10.146 -7.428 -1.084 1.00 0.00 C ATOM 1527 CG PRO B 38 -11.316 -6.606 -0.659 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.148 -6.327 -1.903 1.00 0.00 C ATOM 0 HA PRO B 38 -9.089 -6.905 -2.927 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -10.275 -8.466 -0.778 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -9.232 -7.067 -0.613 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -11.907 -7.136 0.088 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -10.985 -5.674 -0.201 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -12.972 -7.034 -2.000 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.585 -5.329 -1.877 1.00 0.00 H new ATOM 1536 N SER B 39 -11.209 -8.932 -4.016 1.00 0.00 N ATOM 1537 CA SER B 39 -11.412 -10.192 -4.716 1.00 0.00 C ATOM 1538 C SER B 39 -10.321 -10.377 -5.754 1.00 0.00 C ATOM 1539 O SER B 39 -9.720 -11.448 -5.858 1.00 0.00 O ATOM 1540 CB SER B 39 -12.777 -10.191 -5.412 1.00 0.00 C ATOM 1541 OG SER B 39 -13.773 -9.746 -4.503 1.00 0.00 O ATOM 0 H SER B 39 -11.963 -8.256 -4.143 1.00 0.00 H new ATOM 0 HA SER B 39 -11.377 -11.008 -3.995 1.00 0.00 H new ATOM 0 HB2 SER B 39 -12.751 -9.540 -6.286 1.00 0.00 H new ATOM 0 HB3 SER B 39 -13.016 -11.193 -5.768 1.00 0.00 H new ATOM 0 HG SER B 39 -14.646 -9.744 -4.949 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.068 -9.307 -6.512 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.047 -9.328 -7.539 1.00 0.00 C ATOM 1549 C GLN B 40 -7.838 -8.526 -7.092 1.00 0.00 C ATOM 1550 O GLN B 40 -7.099 -8.004 -7.921 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.583 -8.786 -8.883 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.125 -8.740 -8.908 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.639 -7.388 -8.408 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -12.759 -6.994 -8.732 1.00 0.00 O ATOM 1555 NE2 GLN B 40 -10.889 -6.650 -7.635 1.00 0.00 N ATOM 0 H GLN B 40 -10.562 -8.419 -6.427 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.750 -10.365 -7.694 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.187 -7.785 -9.055 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.225 -9.415 -9.698 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.482 -8.917 -9.923 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.527 -9.539 -8.285 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -9.960 -6.974 -7.365 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -11.232 -5.749 -7.301 1.00 0.00 H new ATOM 1564 N SER B 41 -7.624 -8.441 -5.774 1.00 0.00 N ATOM 1565 CA SER B 41 -6.485 -7.707 -5.255 1.00 0.00 C ATOM 1566 C SER B 41 -5.213 -8.256 -5.864 1.00 0.00 C ATOM 1567 O SER B 41 -4.280 -7.521 -6.162 1.00 0.00 O ATOM 1568 CB SER B 41 -6.430 -7.845 -3.727 1.00 0.00 C ATOM 1569 OG SER B 41 -5.272 -7.197 -3.217 1.00 0.00 O ATOM 0 H SER B 41 -8.219 -8.867 -5.064 1.00 0.00 H new ATOM 0 HA SER B 41 -6.585 -6.653 -5.514 1.00 0.00 H new ATOM 0 HB2 SER B 41 -7.325 -7.409 -3.283 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.418 -8.899 -3.450 1.00 0.00 H new ATOM 0 HG SER B 41 -5.529 -6.590 -2.492 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.231 -9.559 -6.061 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.126 -10.281 -6.661 1.00 0.00 C ATOM 1577 C ALA B 42 -4.029 -9.970 -8.152 1.00 0.00 C ATOM 1578 O ALA B 42 -2.957 -10.072 -8.739 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.366 -11.778 -6.480 1.00 0.00 C ATOM 0 H ALA B 42 -6.021 -10.153 -5.807 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.197 -9.978 -6.178 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.542 -12.335 -6.927 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.427 -12.011 -5.417 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.300 -12.058 -6.967 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.177 -9.625 -8.748 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.273 -9.330 -10.174 1.00 0.00 C ATOM 1587 C ASN B 43 -4.604 -8.024 -10.541 1.00 0.00 C ATOM 1588 O ASN B 43 -3.755 -7.985 -11.426 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.728 -9.234 -10.549 1.00 0.00 C ATOM 1590 CG ASN B 43 -6.906 -9.406 -12.056 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -7.403 -10.435 -12.511 1.00 0.00 O ATOM 1592 ND2 ASN B 43 -6.518 -8.456 -12.860 1.00 0.00 N ATOM 0 H ASN B 43 -6.064 -9.544 -8.250 1.00 0.00 H new ATOM 0 HA ASN B 43 -4.766 -10.132 -10.711 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.297 -9.999 -10.020 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.127 -8.268 -10.238 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -6.626 -8.565 -13.868 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -6.106 -7.603 -12.481 1.00 0.00 H new ATOM 1599 N LEU B 44 -4.987 -6.949 -9.858 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.390 -5.676 -10.136 1.00 0.00 C ATOM 1601 C LEU B 44 -2.997 -5.678 -9.542 1.00 0.00 C ATOM 1602 O LEU B 44 -2.089 -5.043 -10.054 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.295 -4.485 -9.752 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.478 -4.256 -8.260 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.409 -5.295 -7.674 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.164 -4.227 -7.510 1.00 0.00 C ATOM 0 H LEU B 44 -5.696 -6.946 -9.124 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.284 -5.524 -11.210 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.880 -3.579 -10.193 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.276 -4.637 -10.202 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.928 -3.270 -8.141 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.528 -5.115 -6.606 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.381 -5.230 -8.163 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -5.990 -6.289 -7.830 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.354 -4.061 -6.450 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.649 -5.179 -7.641 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.541 -3.421 -7.898 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.815 -6.489 -8.496 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.501 -6.666 -7.925 1.00 0.00 C ATOM 1620 C LEU B 45 -0.689 -7.322 -9.016 1.00 0.00 C ATOM 1621 O LEU B 45 0.488 -7.044 -9.215 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.563 -7.586 -6.701 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.198 -8.242 -6.454 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.860 -7.157 -6.254 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.277 -9.152 -5.222 1.00 0.00 C ATOM 0 H LEU B 45 -3.557 -7.021 -8.041 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.073 -5.720 -7.594 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.863 -7.014 -5.823 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.320 -8.355 -6.854 1.00 0.00 H new ATOM 0 HG LEU B 45 0.080 -8.849 -7.316 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.830 -7.622 -6.078 1.00 0.00 H new ATOM 0 HD12 LEU B 45 0.913 -6.532 -7.146 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.592 -6.542 -5.395 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.694 -9.616 -5.050 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.556 -8.561 -4.350 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -1.025 -9.927 -5.389 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.383 -8.177 -9.751 1.00 0.00 N ATOM 1638 CA ALA B 46 -0.782 -8.866 -10.870 1.00 0.00 C ATOM 1639 C ALA B 46 -0.398 -7.810 -11.893 1.00 0.00 C ATOM 1640 O ALA B 46 0.708 -7.811 -12.424 1.00 0.00 O ATOM 1641 CB ALA B 46 -1.768 -9.872 -11.485 1.00 0.00 C ATOM 0 H ALA B 46 -2.363 -8.407 -9.588 1.00 0.00 H new ATOM 0 HA ALA B 46 0.093 -9.429 -10.545 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.294 -10.379 -12.326 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.054 -10.607 -10.733 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.656 -9.345 -11.833 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.329 -6.873 -12.102 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.116 -5.754 -13.002 1.00 0.00 C ATOM 1649 C GLU B 47 0.063 -4.930 -12.508 1.00 0.00 C ATOM 1650 O GLU B 47 0.800 -4.347 -13.294 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.358 -4.845 -13.043 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.563 -5.566 -13.638 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.227 -6.188 -14.996 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -2.792 -5.461 -15.876 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.398 -7.388 -15.132 1.00 0.00 O ATOM 0 H GLU B 47 -2.244 -6.876 -11.651 1.00 0.00 H new ATOM 0 HA GLU B 47 -0.922 -6.147 -14.000 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.597 -4.508 -12.034 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.139 -3.955 -13.632 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -3.898 -6.344 -12.953 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.389 -4.864 -13.752 1.00 0.00 H new ATOM 1662 N ALA B 48 0.207 -4.881 -11.185 1.00 0.00 N ATOM 1663 CA ALA B 48 1.261 -4.127 -10.545 1.00 0.00 C ATOM 1664 C ALA B 48 2.594 -4.794 -10.736 1.00 0.00 C ATOM 1665 O ALA B 48 3.558 -4.165 -11.133 1.00 0.00 O ATOM 1666 CB ALA B 48 0.973 -4.090 -9.056 1.00 0.00 C ATOM 0 H ALA B 48 -0.409 -5.367 -10.534 1.00 0.00 H new ATOM 0 HA ALA B 48 1.295 -3.129 -10.982 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.755 -3.526 -8.548 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.009 -3.611 -8.884 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.947 -5.107 -8.665 1.00 0.00 H new ATOM 1672 N LYS B 49 2.625 -6.083 -10.471 1.00 0.00 N ATOM 1673 CA LYS B 49 3.832 -6.850 -10.635 1.00 0.00 C ATOM 1674 C LYS B 49 4.204 -6.822 -12.110 1.00 0.00 C ATOM 1675 O LYS B 49 5.372 -6.724 -12.465 1.00 0.00 O ATOM 1676 CB LYS B 49 3.605 -8.260 -10.082 1.00 0.00 C ATOM 1677 CG LYS B 49 3.632 -8.224 -8.549 1.00 0.00 C ATOM 1678 CD LYS B 49 3.655 -9.658 -7.996 1.00 0.00 C ATOM 1679 CE LYS B 49 2.304 -10.346 -8.239 1.00 0.00 C ATOM 1680 NZ LYS B 49 1.771 -10.864 -6.946 1.00 0.00 N ATOM 0 H LYS B 49 1.823 -6.619 -10.140 1.00 0.00 H new ATOM 0 HA LYS B 49 4.670 -6.433 -10.077 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.647 -8.648 -10.430 1.00 0.00 H new ATOM 0 HB3 LYS B 49 4.376 -8.935 -10.453 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.510 -7.677 -8.204 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.757 -7.693 -8.173 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.452 -10.227 -8.475 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.874 -9.640 -6.928 1.00 0.00 H new ATOM 0 HE2 LYS B 49 1.599 -9.641 -8.679 1.00 0.00 H new ATOM 0 HE3 LYS B 49 2.423 -11.164 -8.950 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 0.732 -10.890 -6.984 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 2.135 -11.824 -6.780 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 2.073 -10.240 -6.171 1.00 0.00 H new ATOM 1694 N LYS B 50 3.167 -6.817 -12.950 1.00 0.00 N ATOM 1695 CA LYS B 50 3.327 -6.704 -14.394 1.00 0.00 C ATOM 1696 C LYS B 50 3.819 -5.312 -14.757 1.00 0.00 C ATOM 1697 O LYS B 50 4.639 -5.155 -15.652 1.00 0.00 O ATOM 1698 CB LYS B 50 1.993 -6.940 -15.089 1.00 0.00 C ATOM 1699 CG LYS B 50 1.659 -8.440 -15.126 1.00 0.00 C ATOM 1700 CD LYS B 50 0.160 -8.643 -15.416 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.216 -7.994 -16.754 1.00 0.00 C ATOM 1702 NZ LYS B 50 -1.613 -8.371 -17.113 1.00 0.00 N ATOM 0 H LYS B 50 2.196 -6.891 -12.645 1.00 0.00 H new ATOM 0 HA LYS B 50 4.052 -7.451 -14.718 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.204 -6.399 -14.566 1.00 0.00 H new ATOM 0 HB3 LYS B 50 2.031 -6.545 -16.104 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.256 -8.934 -15.893 1.00 0.00 H new ATOM 0 HG3 LYS B 50 1.919 -8.902 -14.173 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -0.071 -9.708 -15.443 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -0.435 -8.208 -14.613 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -0.127 -6.910 -16.682 1.00 0.00 H new ATOM 0 HE3 LYS B 50 0.472 -8.319 -17.534 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -1.887 -7.891 -17.994 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -1.671 -9.401 -17.247 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -2.257 -8.085 -16.348 1.00 0.00 H new ATOM 1716 N LEU B 51 3.301 -4.301 -14.055 1.00 0.00 N ATOM 1717 CA LEU B 51 3.703 -2.920 -14.314 1.00 0.00 C ATOM 1718 C LEU B 51 5.124 -2.727 -13.870 1.00 0.00 C ATOM 1719 O LEU B 51 5.933 -2.109 -14.560 1.00 0.00 O ATOM 1720 CB LEU B 51 2.790 -1.938 -13.569 1.00 0.00 C ATOM 1721 CG LEU B 51 1.908 -1.199 -14.570 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.782 -0.237 -15.391 1.00 0.00 C ATOM 1723 CD2 LEU B 51 1.195 -2.211 -15.490 1.00 0.00 C ATOM 0 H LEU B 51 2.611 -4.412 -13.312 1.00 0.00 H new ATOM 0 HA LEU B 51 3.618 -2.724 -15.383 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.171 -2.475 -12.851 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.390 -1.226 -13.003 1.00 0.00 H new ATOM 0 HG LEU B 51 1.146 -0.626 -14.042 1.00 0.00 H new ATOM 0 HD11 LEU B 51 2.160 0.296 -16.110 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.260 0.480 -14.723 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.546 -0.804 -15.923 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.567 -1.676 -16.202 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.938 -2.797 -16.031 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.576 -2.876 -14.888 1.00 0.00 H new ATOM 1735 N ASN B 52 5.422 -3.312 -12.731 1.00 0.00 N ATOM 1736 CA ASN B 52 6.764 -3.271 -12.200 1.00 0.00 C ATOM 1737 C ASN B 52 7.651 -3.955 -13.207 1.00 0.00 C ATOM 1738 O ASN B 52 8.750 -3.496 -13.511 1.00 0.00 O ATOM 1739 CB ASN B 52 6.818 -3.989 -10.858 1.00 0.00 C ATOM 1740 CG ASN B 52 8.261 -4.162 -10.402 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.764 -3.395 -9.582 1.00 0.00 O ATOM 1742 ND2 ASN B 52 8.961 -5.129 -10.903 1.00 0.00 N ATOM 0 H ASN B 52 4.752 -3.822 -12.155 1.00 0.00 H new ATOM 0 HA ASN B 52 7.092 -2.245 -12.033 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.261 -3.421 -10.113 1.00 0.00 H new ATOM 0 HB3 ASN B 52 6.338 -4.964 -10.941 1.00 0.00 H new ATOM 0 HD21 ASN B 52 9.932 -5.256 -10.618 1.00 0.00 H new ATOM 0 HD22 ASN B 52 8.541 -5.763 -11.583 1.00 0.00 H new ATOM 1749 N ASP B 53 7.112 -5.039 -13.754 1.00 0.00 N ATOM 1750 CA ASP B 53 7.811 -5.790 -14.788 1.00 0.00 C ATOM 1751 C ASP B 53 7.917 -4.935 -16.048 1.00 0.00 C ATOM 1752 O ASP B 53 8.913 -4.986 -16.772 1.00 0.00 O ATOM 1753 CB ASP B 53 7.069 -7.099 -15.107 1.00 0.00 C ATOM 1754 CG ASP B 53 7.150 -8.096 -13.939 1.00 0.00 C ATOM 1755 OD1 ASP B 53 8.000 -7.929 -13.074 1.00 0.00 O ATOM 1756 OD2 ASP B 53 6.352 -9.020 -13.930 1.00 0.00 O ATOM 0 H ASP B 53 6.198 -5.415 -13.500 1.00 0.00 H new ATOM 0 HA ASP B 53 8.808 -6.041 -14.427 1.00 0.00 H new ATOM 0 HB2 ASP B 53 6.024 -6.881 -15.328 1.00 0.00 H new ATOM 0 HB3 ASP B 53 7.496 -7.551 -16.002 1.00 0.00 H new ATOM 1761 N ALA B 54 6.868 -4.148 -16.290 1.00 0.00 N ATOM 1762 CA ALA B 54 6.805 -3.266 -17.449 1.00 0.00 C ATOM 1763 C ALA B 54 7.866 -2.174 -17.349 1.00 0.00 C ATOM 1764 O ALA B 54 8.485 -1.803 -18.348 1.00 0.00 O ATOM 1765 CB ALA B 54 5.413 -2.639 -17.527 1.00 0.00 C ATOM 0 H ALA B 54 6.044 -4.106 -15.690 1.00 0.00 H new ATOM 0 HA ALA B 54 6.997 -3.847 -18.351 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.360 -1.978 -18.392 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.665 -3.425 -17.625 1.00 0.00 H new ATOM 0 HB3 ALA B 54 5.221 -2.066 -16.620 1.00 0.00 H new ATOM 1771 N GLN B 55 8.069 -1.671 -16.130 1.00 0.00 N ATOM 1772 CA GLN B 55 9.054 -0.625 -15.879 1.00 0.00 C ATOM 1773 C GLN B 55 10.406 -1.219 -15.486 1.00 0.00 C ATOM 1774 O GLN B 55 11.386 -0.490 -15.316 1.00 0.00 O ATOM 1775 CB GLN B 55 8.546 0.264 -14.762 1.00 0.00 C ATOM 1776 CG GLN B 55 7.281 0.996 -15.209 1.00 0.00 C ATOM 1777 CD GLN B 55 6.417 1.294 -13.996 1.00 0.00 C ATOM 1778 OE1 GLN B 55 6.132 2.452 -13.699 1.00 0.00 O ATOM 1779 NE2 GLN B 55 5.991 0.300 -13.268 1.00 0.00 N ATOM 0 H GLN B 55 7.560 -1.975 -15.300 1.00 0.00 H new ATOM 0 HA GLN B 55 9.194 -0.048 -16.793 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.335 -0.336 -13.877 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.314 0.986 -14.483 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.544 1.923 -15.718 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.727 0.386 -15.923 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.232 -0.658 -13.522 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.416 0.480 -12.445 1.00 0.00 H new ATOM 1788 N ALA B 56 10.447 -2.545 -15.333 1.00 0.00 N ATOM 1789 CA ALA B 56 11.683 -3.232 -14.947 1.00 0.00 C ATOM 1790 C ALA B 56 12.750 -3.104 -16.023 1.00 0.00 C ATOM 1791 O ALA B 56 12.458 -2.742 -17.165 1.00 0.00 O ATOM 1792 CB ALA B 56 11.421 -4.716 -14.688 1.00 0.00 C ATOM 0 H ALA B 56 9.645 -3.161 -15.469 1.00 0.00 H new ATOM 0 HA ALA B 56 12.040 -2.756 -14.034 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.352 -5.206 -14.403 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.694 -4.822 -13.883 1.00 0.00 H new ATOM 0 HB3 ALA B 56 11.030 -5.180 -15.593 1.00 0.00 H new