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= -1.6 K(o=-7.6,f=-5.3) USER MOD Set 1.2: B 52 ASN : amide:sc= -5.98! C(o=-7.6!,f=-13!) USER MOD Set 2.1: B 26 GLN : amide:sc= -9.06! K(o=-15!,f=-1.7) USER MOD Set 2.2: B 55 GLN : amide:sc= -6.29! K(o=-15!,f=-1.7) USER MOD Set 3.1: A 26 GLN : amide:sc= -7.58! K(o=-16!,f=-3.8) USER MOD Set 3.2: A 55 GLN : amide:sc= -8.47! C(o=-16!,f=-3.8!) USER MOD Set 4.1: A 21 ASN : amide:sc= -3.27! K(o=-12!,f=-8.4) USER MOD Set 4.2: A 52 ASN : amide:sc= -8.87! C(o=-12!,f=-10!) USER MOD Set 5.1: A 13 THR OG1 : rot 115:sc= -2.9 USER MOD Set 5.2: B 17 MET CE :methyl -123:sc= -12.7! (180deg=-13!) USER MOD Single : A 4 LYS NZ :NH3+ 159:sc= -0.722 (180deg=-1.27!) USER MOD Single : A 6 ASN : amide:sc= -3.37 K(o=-3.4,f=-10!) USER MOD Single : A 7 LYS NZ :NH3+ 156:sc= -0.182 (180deg=-0.753) USER MOD Single : A 18 ASN : amide:sc= -5.15 K(o=-5.2,f=-3.2) USER MOD Single : A 23 ASN : amide:sc= -0.715 K(o=-0.71,f=-11!) USER MOD Single : A 28 LYS NZ :NH3+ 156:sc= -0.322 (180deg=-1.43) USER MOD Single : A 33 SER OG : rot 75:sc= 0.835 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -1.42 K(o=-1.4,f=0) USER MOD Single : A 41 SER OG : rot -92:sc= 0.576 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 49 LYS NZ :NH3+ -138:sc= -3.07 (180deg=-6.85!) USER MOD Single : A 50 LYS NZ :NH3+ -168:sc= 1.13 (180deg=1.02) USER MOD Single : B 6 ASN : amide:sc= -1.72! K(o=-1.7!,f=-0.94) USER MOD Single : B 7 LYS NZ :NH3+ -131:sc= 0.524 (180deg=-0.442) USER MOD Single : B 23 ASN : amide:sc= -9.23! C(o=-9.2!,f=-19!) USER MOD Single : B 24 SER OG : rot 120:sc= -0.295 USER MOD Single : B 32 ASN : amide:sc= -0.0961 K(o=-0.096,f=-0.84) USER MOD Single : B 33 SER OG : rot 89:sc= 0.0405 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 41 SER OG : rot -100:sc= -3.77! USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 145:sc= 1.13 (180deg=-0.86!) USER MOD Single : B 50 LYS NZ :NH3+ -139:sc= 0.304 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 6.089 -10.685 7.228 1.00 0.00 N ATOM 46 CA LYS A 4 5.542 -9.729 8.186 1.00 0.00 C ATOM 47 C LYS A 4 5.799 -8.298 7.719 1.00 0.00 C ATOM 48 O LYS A 4 4.896 -7.461 7.742 1.00 0.00 O ATOM 49 CB LYS A 4 6.185 -9.949 9.562 1.00 0.00 C ATOM 50 CG LYS A 4 5.566 -8.997 10.603 1.00 0.00 C ATOM 51 CD LYS A 4 6.683 -8.305 11.399 1.00 0.00 C ATOM 52 CE LYS A 4 7.250 -7.116 10.605 1.00 0.00 C ATOM 53 NZ LYS A 4 6.161 -6.145 10.290 1.00 0.00 N ATOM 0 HA LYS A 4 4.466 -9.884 8.259 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.043 -10.983 9.876 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.260 -9.780 9.499 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.945 -8.252 10.105 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.916 -9.554 11.278 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.295 -7.959 12.357 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.478 -9.018 11.616 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.032 -6.623 11.182 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.710 -7.471 9.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.575 -5.213 10.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.629 -6.477 9.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.519 -6.067 11.105 1.00 0.00 H new ATOM 67 N PHE A 5 7.036 -8.027 7.296 1.00 0.00 N ATOM 68 CA PHE A 5 7.401 -6.699 6.828 1.00 0.00 C ATOM 69 C PHE A 5 6.602 -6.347 5.578 1.00 0.00 C ATOM 70 O PHE A 5 6.159 -5.217 5.426 1.00 0.00 O ATOM 71 CB PHE A 5 8.921 -6.608 6.570 1.00 0.00 C ATOM 72 CG PHE A 5 9.263 -6.943 5.127 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.434 -8.276 4.734 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.415 -5.915 4.184 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.755 -8.579 3.406 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.735 -6.221 2.858 1.00 0.00 C ATOM 77 CZ PHE A 5 9.905 -7.553 2.470 1.00 0.00 C ATOM 0 H PHE A 5 7.794 -8.709 7.270 1.00 0.00 H new ATOM 0 HA PHE A 5 7.157 -5.973 7.603 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.271 -5.603 6.804 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.446 -7.292 7.237 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.318 -9.071 5.456 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.285 -4.886 4.483 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.887 -9.608 3.104 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.851 -5.428 2.134 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.153 -7.789 1.446 1.00 0.00 H new ATOM 87 N ASN A 6 6.416 -7.333 4.694 1.00 0.00 N ATOM 88 CA ASN A 6 5.653 -7.127 3.471 1.00 0.00 C ATOM 89 C ASN A 6 4.191 -6.874 3.802 1.00 0.00 C ATOM 90 O ASN A 6 3.570 -5.958 3.267 1.00 0.00 O ATOM 91 CB ASN A 6 5.755 -8.374 2.602 1.00 0.00 C ATOM 92 CG ASN A 6 5.111 -8.141 1.245 1.00 0.00 C ATOM 93 OD1 ASN A 6 5.047 -7.015 0.774 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.618 -9.154 0.598 1.00 0.00 N ATOM 0 H ASN A 6 6.785 -8.277 4.807 1.00 0.00 H new ATOM 0 HA ASN A 6 6.056 -6.264 2.941 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.802 -8.646 2.471 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.268 -9.212 3.102 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.174 -9.012 -0.309 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.675 -10.091 0.997 1.00 0.00 H new ATOM 101 N LYS A 7 3.666 -7.689 4.711 1.00 0.00 N ATOM 102 CA LYS A 7 2.292 -7.560 5.152 1.00 0.00 C ATOM 103 C LYS A 7 2.129 -6.201 5.800 1.00 0.00 C ATOM 104 O LYS A 7 1.150 -5.513 5.573 1.00 0.00 O ATOM 105 CB LYS A 7 1.975 -8.699 6.141 1.00 0.00 C ATOM 106 CG LYS A 7 0.556 -8.582 6.726 1.00 0.00 C ATOM 107 CD LYS A 7 -0.491 -9.121 5.740 1.00 0.00 C ATOM 108 CE LYS A 7 -0.597 -10.641 5.838 1.00 0.00 C ATOM 109 NZ LYS A 7 -1.131 -11.023 7.177 1.00 0.00 N ATOM 0 H LYS A 7 4.180 -8.449 5.156 1.00 0.00 H new ATOM 0 HA LYS A 7 1.598 -7.636 4.315 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.079 -9.658 5.634 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.703 -8.687 6.952 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.498 -9.136 7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.339 -7.539 6.958 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.461 -8.670 5.950 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.220 -8.836 4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.251 -11.021 5.053 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.382 -11.094 5.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.578 -11.960 7.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.352 -11.054 7.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.836 -10.322 7.483 1.00 0.00 H new ATOM 123 N GLU A 8 3.125 -5.816 6.587 1.00 0.00 N ATOM 124 CA GLU A 8 3.103 -4.524 7.252 1.00 0.00 C ATOM 125 C GLU A 8 3.327 -3.394 6.251 1.00 0.00 C ATOM 126 O GLU A 8 2.670 -2.364 6.313 1.00 0.00 O ATOM 127 CB GLU A 8 4.152 -4.503 8.362 1.00 0.00 C ATOM 128 CG GLU A 8 4.159 -3.144 9.080 1.00 0.00 C ATOM 129 CD GLU A 8 5.330 -3.080 10.063 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.464 -3.069 9.607 1.00 0.00 O ATOM 131 OE2 GLU A 8 5.077 -3.051 11.256 1.00 0.00 O ATOM 0 H GLU A 8 3.954 -6.379 6.779 1.00 0.00 H new ATOM 0 HA GLU A 8 2.121 -4.368 7.699 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.945 -5.297 9.079 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.138 -4.702 7.941 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.241 -2.338 8.351 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.218 -2.999 9.611 1.00 0.00 H new ATOM 138 N LEU A 9 4.223 -3.627 5.305 1.00 0.00 N ATOM 139 CA LEU A 9 4.499 -2.656 4.243 1.00 0.00 C ATOM 140 C LEU A 9 3.207 -2.429 3.487 1.00 0.00 C ATOM 141 O LEU A 9 2.856 -1.300 3.150 1.00 0.00 O ATOM 142 CB LEU A 9 5.590 -3.208 3.309 1.00 0.00 C ATOM 143 CG LEU A 9 5.769 -2.290 2.088 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.617 -1.063 2.416 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.450 -3.058 0.976 1.00 0.00 C ATOM 0 H LEU A 9 4.777 -4.482 5.246 1.00 0.00 H new ATOM 0 HA LEU A 9 4.859 -1.713 4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.532 -3.291 3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.322 -4.212 2.980 1.00 0.00 H new ATOM 0 HG LEU A 9 4.778 -1.954 1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.718 -0.442 1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.135 -0.488 3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.604 -1.382 2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.577 -2.408 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.426 -3.403 1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.838 -3.916 0.699 1.00 0.00 H new ATOM 157 N GLY A 10 2.484 -3.513 3.267 1.00 0.00 N ATOM 158 CA GLY A 10 1.223 -3.441 2.602 1.00 0.00 C ATOM 159 C GLY A 10 0.176 -2.868 3.534 1.00 0.00 C ATOM 160 O GLY A 10 -0.671 -2.080 3.129 1.00 0.00 O ATOM 0 H GLY A 10 2.763 -4.453 3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.308 -2.819 1.711 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.921 -4.434 2.270 1.00 0.00 H new ATOM 164 N TRP A 11 0.208 -3.298 4.789 1.00 0.00 N ATOM 165 CA TRP A 11 -0.785 -2.827 5.722 1.00 0.00 C ATOM 166 C TRP A 11 -0.637 -1.384 6.079 1.00 0.00 C ATOM 167 O TRP A 11 -1.609 -0.635 6.022 1.00 0.00 O ATOM 168 CB TRP A 11 -0.887 -3.671 6.979 1.00 0.00 C ATOM 169 CG TRP A 11 -2.348 -3.746 7.347 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.813 -3.756 8.604 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.543 -3.780 6.468 1.00 0.00 C ATOM 172 NE1 TRP A 11 -4.196 -3.836 8.570 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.689 -3.839 7.281 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.743 -3.773 5.060 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -5.975 -3.887 6.735 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -5.017 -3.815 4.510 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.142 -3.870 5.343 1.00 0.00 C ATOM 0 H TRP A 11 0.892 -3.952 5.168 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.722 -2.935 5.176 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.482 -4.668 6.807 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.308 -3.227 7.789 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.208 -3.709 9.498 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.783 -3.887 9.403 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.885 -3.734 4.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.837 -3.937 7.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.141 -3.805 3.437 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.133 -3.899 4.915 1.00 0.00 H new ATOM 188 N ALA A 12 0.557 -0.987 6.452 1.00 0.00 N ATOM 189 CA ALA A 12 0.770 0.383 6.817 1.00 0.00 C ATOM 190 C ALA A 12 0.349 1.266 5.646 1.00 0.00 C ATOM 191 O ALA A 12 -0.294 2.289 5.833 1.00 0.00 O ATOM 192 CB ALA A 12 2.233 0.603 7.180 1.00 0.00 C ATOM 0 H ALA A 12 1.380 -1.586 6.509 1.00 0.00 H new ATOM 0 HA ALA A 12 0.172 0.642 7.691 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.386 1.646 7.456 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.500 -0.038 8.020 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.861 0.358 6.324 1.00 0.00 H new ATOM 198 N THR A 13 0.653 0.804 4.429 1.00 0.00 N ATOM 199 CA THR A 13 0.250 1.506 3.219 1.00 0.00 C ATOM 200 C THR A 13 -1.261 1.699 3.217 1.00 0.00 C ATOM 201 O THR A 13 -1.740 2.799 2.971 1.00 0.00 O ATOM 202 CB THR A 13 0.685 0.664 2.025 1.00 0.00 C ATOM 203 OG1 THR A 13 2.068 0.853 1.830 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.073 1.060 0.764 1.00 0.00 C ATOM 0 H THR A 13 1.178 -0.055 4.262 1.00 0.00 H new ATOM 0 HA THR A 13 0.716 2.490 3.168 1.00 0.00 H new ATOM 0 HB THR A 13 0.465 -0.384 2.227 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.540 0.012 2.001 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.260 0.442 -0.070 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.142 0.914 0.921 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.120 2.109 0.538 1.00 0.00 H new ATOM 212 N TRP A 14 -1.985 0.623 3.522 1.00 0.00 N ATOM 213 CA TRP A 14 -3.448 0.653 3.577 1.00 0.00 C ATOM 214 C TRP A 14 -3.947 1.540 4.707 1.00 0.00 C ATOM 215 O TRP A 14 -4.863 2.328 4.529 1.00 0.00 O ATOM 216 CB TRP A 14 -3.952 -0.757 3.831 1.00 0.00 C ATOM 217 CG TRP A 14 -5.420 -0.861 3.556 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.378 -0.906 4.509 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.113 -0.958 2.276 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.607 -1.057 3.903 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.497 -1.093 2.531 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.690 -0.953 0.929 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.414 -1.227 1.498 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.611 -1.088 -0.098 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.963 -1.228 0.183 1.00 0.00 C ATOM 0 H TRP A 14 -1.579 -0.288 3.737 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.816 1.049 2.631 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.410 -1.460 3.199 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.752 -1.038 4.865 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.208 -0.835 5.573 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.489 -1.133 4.409 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.641 -0.843 0.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.467 -1.329 1.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.274 -1.084 -1.124 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.670 -1.339 -0.626 1.00 0.00 H new ATOM 236 N GLU A 15 -3.344 1.379 5.877 1.00 0.00 N ATOM 237 CA GLU A 15 -3.739 2.143 7.050 1.00 0.00 C ATOM 238 C GLU A 15 -3.553 3.638 6.782 1.00 0.00 C ATOM 239 O GLU A 15 -4.402 4.455 7.146 1.00 0.00 O ATOM 240 CB GLU A 15 -2.908 1.666 8.243 1.00 0.00 C ATOM 241 CG GLU A 15 -3.269 0.201 8.556 1.00 0.00 C ATOM 242 CD GLU A 15 -2.275 -0.384 9.557 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.500 -0.230 10.745 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.301 -0.977 9.119 1.00 0.00 O ATOM 0 H GLU A 15 -2.578 0.725 6.038 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.793 1.985 7.277 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.845 1.752 8.019 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.102 2.295 9.112 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.279 0.146 8.961 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.261 -0.387 7.638 1.00 0.00 H new ATOM 251 N ILE A 16 -2.470 3.970 6.077 1.00 0.00 N ATOM 252 CA ILE A 16 -2.199 5.351 5.677 1.00 0.00 C ATOM 253 C ILE A 16 -3.215 5.739 4.589 1.00 0.00 C ATOM 254 O ILE A 16 -3.705 6.867 4.539 1.00 0.00 O ATOM 255 CB ILE A 16 -0.757 5.448 5.121 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.265 5.107 6.221 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.463 6.860 4.596 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.654 4.875 5.601 1.00 0.00 C ATOM 0 H ILE A 16 -1.765 3.299 5.771 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.291 6.026 6.528 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.672 4.735 4.301 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.314 5.919 6.947 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.054 4.215 6.761 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.556 6.900 4.211 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.163 7.104 3.796 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.574 7.580 5.407 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.368 4.635 6.388 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.603 4.048 4.893 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.976 5.778 5.082 1.00 0.00 H new ATOM 270 N PHE A 17 -3.524 4.754 3.737 1.00 0.00 N ATOM 271 CA PHE A 17 -4.487 4.905 2.639 1.00 0.00 C ATOM 272 C PHE A 17 -5.885 5.184 3.197 1.00 0.00 C ATOM 273 O PHE A 17 -6.662 5.946 2.620 1.00 0.00 O ATOM 274 CB PHE A 17 -4.527 3.582 1.852 1.00 0.00 C ATOM 275 CG PHE A 17 -4.770 3.791 0.376 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.690 4.042 -0.483 1.00 0.00 C ATOM 277 CD2 PHE A 17 -6.060 3.667 -0.141 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.905 4.177 -1.854 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.278 3.793 -1.513 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.200 4.048 -2.370 1.00 0.00 C ATOM 0 H PHE A 17 -3.110 3.823 3.790 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.186 5.735 1.999 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.584 3.053 1.990 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.312 2.945 2.259 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.691 4.131 -0.082 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.890 3.473 0.522 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.076 4.380 -2.515 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.276 3.694 -1.914 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.368 4.145 -3.432 1.00 0.00 H new ATOM 290 N ASN A 18 -6.191 4.514 4.310 1.00 0.00 N ATOM 291 CA ASN A 18 -7.493 4.621 4.966 1.00 0.00 C ATOM 292 C ASN A 18 -7.540 5.738 6.013 1.00 0.00 C ATOM 293 O ASN A 18 -8.546 5.866 6.716 1.00 0.00 O ATOM 294 CB ASN A 18 -7.830 3.282 5.648 1.00 0.00 C ATOM 295 CG ASN A 18 -8.125 2.196 4.613 1.00 0.00 C ATOM 296 OD1 ASN A 18 -9.169 1.548 4.675 1.00 0.00 O ATOM 297 ND2 ASN A 18 -7.266 1.950 3.665 1.00 0.00 N ATOM 0 H ASN A 18 -5.543 3.883 4.781 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.223 4.864 4.194 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.997 2.971 6.278 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.693 3.410 6.301 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.460 1.222 2.977 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.399 2.485 3.610 1.00 0.00 H new ATOM 304 N LEU A 19 -6.480 6.550 6.132 1.00 0.00 N ATOM 305 CA LEU A 19 -6.505 7.621 7.124 1.00 0.00 C ATOM 306 C LEU A 19 -7.524 8.681 6.703 1.00 0.00 C ATOM 307 O LEU A 19 -7.608 9.020 5.521 1.00 0.00 O ATOM 308 CB LEU A 19 -5.119 8.247 7.321 1.00 0.00 C ATOM 309 CG LEU A 19 -4.460 7.652 8.581 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.085 8.250 8.760 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.269 7.989 9.829 1.00 0.00 C ATOM 0 H LEU A 19 -5.628 6.488 5.575 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.800 7.194 8.083 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.495 8.057 6.447 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.208 9.329 7.421 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.409 6.571 8.452 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.619 7.830 9.651 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.473 8.022 7.888 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.170 9.331 8.871 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.784 7.558 10.705 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.328 9.071 9.943 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.274 7.579 9.733 1.00 0.00 H new ATOM 323 N PRO A 20 -8.333 9.173 7.621 1.00 0.00 N ATOM 324 CA PRO A 20 -9.405 10.163 7.316 1.00 0.00 C ATOM 325 C PRO A 20 -8.938 11.619 7.295 1.00 0.00 C ATOM 326 O PRO A 20 -9.784 12.515 7.365 1.00 0.00 O ATOM 327 CB PRO A 20 -10.410 9.954 8.475 1.00 0.00 C ATOM 328 CG PRO A 20 -9.840 8.882 9.346 1.00 0.00 C ATOM 329 CD PRO A 20 -8.352 8.871 9.056 1.00 0.00 C ATOM 0 HA PRO A 20 -9.805 10.000 6.315 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.550 10.877 9.038 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.388 9.663 8.092 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.033 9.088 10.399 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.290 7.915 9.123 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.815 9.618 9.640 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.898 7.905 9.278 1.00 0.00 H new ATOM 337 N ASN A 21 -7.622 11.887 7.226 1.00 0.00 N ATOM 338 CA ASN A 21 -7.193 13.297 7.241 1.00 0.00 C ATOM 339 C ASN A 21 -5.981 13.585 6.357 1.00 0.00 C ATOM 340 O ASN A 21 -5.560 14.738 6.250 1.00 0.00 O ATOM 341 CB ASN A 21 -6.904 13.714 8.683 1.00 0.00 C ATOM 342 CG ASN A 21 -8.208 13.878 9.458 1.00 0.00 C ATOM 343 OD1 ASN A 21 -8.900 14.884 9.305 1.00 0.00 O ATOM 344 ND2 ASN A 21 -8.591 12.940 10.278 1.00 0.00 N ATOM 0 H ASN A 21 -6.877 11.194 7.163 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.011 13.883 6.822 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.277 12.965 9.167 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.347 14.651 8.693 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.465 13.039 10.794 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.016 12.107 10.404 1.00 0.00 H new ATOM 351 N LEU A 22 -5.430 12.561 5.720 1.00 0.00 N ATOM 352 CA LEU A 22 -4.271 12.759 4.846 1.00 0.00 C ATOM 353 C LEU A 22 -4.701 13.138 3.440 1.00 0.00 C ATOM 354 O LEU A 22 -5.780 12.749 2.988 1.00 0.00 O ATOM 355 CB LEU A 22 -3.434 11.487 4.785 1.00 0.00 C ATOM 356 CG LEU A 22 -2.944 11.125 6.185 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.140 9.841 6.117 1.00 0.00 C ATOM 358 CD2 LEU A 22 -2.045 12.228 6.730 1.00 0.00 C ATOM 0 H LEU A 22 -5.757 11.597 5.787 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.678 13.573 5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.027 10.670 4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.584 11.631 4.118 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.808 11.001 6.838 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.788 9.579 7.115 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.768 9.038 5.731 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.285 9.982 5.456 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.702 11.958 7.729 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.185 12.354 6.073 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.604 13.162 6.779 1.00 0.00 H new ATOM 370 N ASN A 23 -3.833 13.878 2.741 1.00 0.00 N ATOM 371 CA ASN A 23 -4.126 14.277 1.370 1.00 0.00 C ATOM 372 C ASN A 23 -3.422 13.322 0.415 1.00 0.00 C ATOM 373 O ASN A 23 -2.552 12.550 0.829 1.00 0.00 O ATOM 374 CB ASN A 23 -3.707 15.739 1.116 1.00 0.00 C ATOM 375 CG ASN A 23 -2.188 15.898 1.067 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.460 15.148 1.705 1.00 0.00 O ATOM 377 ND2 ASN A 23 -1.667 16.846 0.339 1.00 0.00 N ATOM 0 H ASN A 23 -2.936 14.206 3.100 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.201 14.222 1.199 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.138 16.082 0.175 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.113 16.375 1.903 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.654 16.962 0.301 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.272 17.471 -0.193 1.00 0.00 H new ATOM 384 N GLY A 24 -3.817 13.362 -0.852 1.00 0.00 N ATOM 385 CA GLY A 24 -3.243 12.475 -1.861 1.00 0.00 C ATOM 386 C GLY A 24 -1.715 12.458 -1.819 1.00 0.00 C ATOM 387 O GLY A 24 -1.106 11.427 -2.083 1.00 0.00 O ATOM 0 H GLY A 24 -4.532 13.998 -1.206 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.619 11.464 -1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.573 12.792 -2.850 1.00 0.00 H new ATOM 391 N VAL A 25 -1.106 13.600 -1.501 1.00 0.00 N ATOM 392 CA VAL A 25 0.354 13.694 -1.453 1.00 0.00 C ATOM 393 C VAL A 25 0.949 13.028 -0.216 1.00 0.00 C ATOM 394 O VAL A 25 1.892 12.249 -0.342 1.00 0.00 O ATOM 395 CB VAL A 25 0.781 15.159 -1.527 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.305 15.263 -1.383 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.359 15.717 -2.890 1.00 0.00 C ATOM 0 H VAL A 25 -1.595 14.466 -1.275 1.00 0.00 H new ATOM 0 HA VAL A 25 0.742 13.152 -2.316 1.00 0.00 H new ATOM 0 HB VAL A 25 0.310 15.725 -0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.605 16.310 -1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.609 14.847 -0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.785 14.706 -2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.655 16.763 -2.962 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.844 15.147 -3.682 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.723 15.638 -2.996 1.00 0.00 H new ATOM 407 N GLN A 26 0.425 13.335 0.975 1.00 0.00 N ATOM 408 CA GLN A 26 0.968 12.741 2.189 1.00 0.00 C ATOM 409 C GLN A 26 0.832 11.232 2.160 1.00 0.00 C ATOM 410 O GLN A 26 1.783 10.521 2.477 1.00 0.00 O ATOM 411 CB GLN A 26 0.294 13.329 3.424 1.00 0.00 C ATOM 412 CG GLN A 26 1.095 14.560 3.882 1.00 0.00 C ATOM 413 CD GLN A 26 0.155 15.637 4.382 1.00 0.00 C ATOM 414 OE1 GLN A 26 -0.083 16.634 3.703 1.00 0.00 O ATOM 415 NE2 GLN A 26 -0.396 15.483 5.536 1.00 0.00 N ATOM 0 H GLN A 26 -0.355 13.976 1.118 1.00 0.00 H new ATOM 0 HA GLN A 26 2.031 12.979 2.239 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.734 13.610 3.196 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.252 12.587 4.221 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.790 14.278 4.673 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.692 14.943 3.055 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.192 14.652 6.092 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.036 16.192 5.894 1.00 0.00 H new ATOM 424 N VAL A 27 -0.330 10.743 1.736 1.00 0.00 N ATOM 425 CA VAL A 27 -0.538 9.298 1.645 1.00 0.00 C ATOM 426 C VAL A 27 0.458 8.718 0.645 1.00 0.00 C ATOM 427 O VAL A 27 1.118 7.715 0.914 1.00 0.00 O ATOM 428 CB VAL A 27 -1.972 8.980 1.195 1.00 0.00 C ATOM 429 CG1 VAL A 27 -2.158 7.460 1.123 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.973 9.559 2.201 1.00 0.00 C ATOM 0 H VAL A 27 -1.129 11.312 1.455 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.384 8.853 2.628 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.145 9.422 0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.175 7.233 0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.451 7.040 0.408 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.981 7.025 2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.988 9.330 1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.798 9.119 3.183 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.846 10.640 2.260 1.00 0.00 H new ATOM 440 N LYS A 28 0.573 9.394 -0.495 1.00 0.00 N ATOM 441 CA LYS A 28 1.494 9.003 -1.550 1.00 0.00 C ATOM 442 C LYS A 28 2.935 9.039 -1.041 1.00 0.00 C ATOM 443 O LYS A 28 3.758 8.216 -1.430 1.00 0.00 O ATOM 444 CB LYS A 28 1.309 9.969 -2.731 1.00 0.00 C ATOM 445 CG LYS A 28 2.156 9.558 -3.937 1.00 0.00 C ATOM 446 CD LYS A 28 2.321 10.770 -4.862 1.00 0.00 C ATOM 447 CE LYS A 28 0.963 11.181 -5.451 1.00 0.00 C ATOM 448 NZ LYS A 28 0.373 12.277 -4.631 1.00 0.00 N ATOM 0 H LYS A 28 0.028 10.229 -0.710 1.00 0.00 H new ATOM 0 HA LYS A 28 1.285 7.983 -1.871 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.258 9.996 -3.017 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.582 10.978 -2.422 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.131 9.199 -3.608 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.678 8.737 -4.472 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.751 11.604 -4.307 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.016 10.530 -5.666 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.088 11.511 -6.482 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.289 10.324 -5.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.297 12.822 -5.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.127 11.870 -3.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.130 12.905 -4.295 1.00 0.00 H new ATOM 462 N ALA A 29 3.219 10.003 -0.170 1.00 0.00 N ATOM 463 CA ALA A 29 4.548 10.161 0.395 1.00 0.00 C ATOM 464 C ALA A 29 4.864 9.041 1.345 1.00 0.00 C ATOM 465 O ALA A 29 5.961 8.489 1.323 1.00 0.00 O ATOM 466 CB ALA A 29 4.635 11.468 1.154 1.00 0.00 C ATOM 0 H ALA A 29 2.539 10.689 0.159 1.00 0.00 H new ATOM 0 HA ALA A 29 5.263 10.151 -0.428 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.635 11.579 1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.433 12.297 0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.900 11.471 1.959 1.00 0.00 H new ATOM 472 N PHE A 30 3.889 8.706 2.177 1.00 0.00 N ATOM 473 CA PHE A 30 4.063 7.648 3.122 1.00 0.00 C ATOM 474 C PHE A 30 4.271 6.364 2.352 1.00 0.00 C ATOM 475 O PHE A 30 5.128 5.555 2.707 1.00 0.00 O ATOM 476 CB PHE A 30 2.856 7.564 4.051 1.00 0.00 C ATOM 477 CG PHE A 30 2.736 8.843 4.869 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.858 9.356 5.548 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.506 9.523 4.951 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.745 10.528 6.288 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.407 10.693 5.697 1.00 0.00 C ATOM 482 CZ PHE A 30 2.524 11.194 6.360 1.00 0.00 C ATOM 0 H PHE A 30 2.976 9.159 2.206 1.00 0.00 H new ATOM 0 HA PHE A 30 4.933 7.832 3.752 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.948 7.410 3.468 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.958 6.706 4.716 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.805 8.840 5.494 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.640 9.136 4.435 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.606 10.922 6.808 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.463 11.213 5.762 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.443 12.105 6.934 1.00 0.00 H new ATOM 492 N ILE A 31 3.528 6.219 1.246 1.00 0.00 N ATOM 493 CA ILE A 31 3.692 5.058 0.396 1.00 0.00 C ATOM 494 C ILE A 31 5.070 5.093 -0.227 1.00 0.00 C ATOM 495 O ILE A 31 5.768 4.095 -0.242 1.00 0.00 O ATOM 496 CB ILE A 31 2.614 5.000 -0.705 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.259 4.675 -0.057 1.00 0.00 C ATOM 498 CG2 ILE A 31 2.962 3.920 -1.763 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.159 4.678 -1.118 1.00 0.00 C ATOM 0 H ILE A 31 2.822 6.885 0.933 1.00 0.00 H new ATOM 0 HA ILE A 31 3.580 4.163 1.009 1.00 0.00 H new ATOM 0 HB ILE A 31 2.568 5.966 -1.209 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.304 3.701 0.430 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.031 5.408 0.717 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.187 3.898 -2.529 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.921 4.158 -2.224 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.023 2.944 -1.281 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.798 4.447 -0.650 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.107 5.662 -1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.383 3.928 -1.876 1.00 0.00 H new ATOM 511 N ASP A 32 5.448 6.258 -0.728 1.00 0.00 N ATOM 512 CA ASP A 32 6.751 6.419 -1.362 1.00 0.00 C ATOM 513 C ASP A 32 7.867 6.070 -0.385 1.00 0.00 C ATOM 514 O ASP A 32 8.838 5.396 -0.738 1.00 0.00 O ATOM 515 CB ASP A 32 6.915 7.856 -1.868 1.00 0.00 C ATOM 516 CG ASP A 32 8.161 7.961 -2.746 1.00 0.00 C ATOM 517 OD1 ASP A 32 8.053 7.678 -3.928 1.00 0.00 O ATOM 518 OD2 ASP A 32 9.204 8.314 -2.221 1.00 0.00 O ATOM 0 H ASP A 32 4.877 7.103 -0.710 1.00 0.00 H new ATOM 0 HA ASP A 32 6.813 5.738 -2.211 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.034 8.153 -2.436 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.996 8.541 -1.024 1.00 0.00 H new ATOM 523 N SER A 33 7.689 6.516 0.845 1.00 0.00 N ATOM 524 CA SER A 33 8.643 6.249 1.917 1.00 0.00 C ATOM 525 C SER A 33 8.636 4.757 2.250 1.00 0.00 C ATOM 526 O SER A 33 9.674 4.162 2.519 1.00 0.00 O ATOM 527 CB SER A 33 8.263 7.072 3.145 1.00 0.00 C ATOM 528 OG SER A 33 8.350 8.455 2.828 1.00 0.00 O ATOM 0 H SER A 33 6.884 7.072 1.133 1.00 0.00 H new ATOM 0 HA SER A 33 9.647 6.530 1.598 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.251 6.823 3.465 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.927 6.835 3.976 1.00 0.00 H new ATOM 0 HG SER A 33 7.582 8.713 2.276 1.00 0.00 H new ATOM 534 N LEU A 34 7.441 4.173 2.187 1.00 0.00 N ATOM 535 CA LEU A 34 7.235 2.743 2.430 1.00 0.00 C ATOM 536 C LEU A 34 8.053 1.930 1.430 1.00 0.00 C ATOM 537 O LEU A 34 8.827 1.054 1.812 1.00 0.00 O ATOM 538 CB LEU A 34 5.744 2.458 2.231 1.00 0.00 C ATOM 539 CG LEU A 34 5.007 2.322 3.561 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.682 3.085 3.523 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.711 0.857 3.794 1.00 0.00 C ATOM 0 H LEU A 34 6.584 4.679 1.965 1.00 0.00 H new ATOM 0 HA LEU A 34 7.550 2.470 3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.295 3.263 1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.624 1.541 1.654 1.00 0.00 H new ATOM 0 HG LEU A 34 5.629 2.731 4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.172 2.976 4.480 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.875 4.141 3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.053 2.683 2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.184 0.738 4.741 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.090 0.478 2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.646 0.298 3.827 1.00 0.00 H new ATOM 553 N ARG A 35 7.879 2.244 0.150 1.00 0.00 N ATOM 554 CA ARG A 35 8.621 1.548 -0.920 1.00 0.00 C ATOM 555 C ARG A 35 10.127 1.726 -0.712 1.00 0.00 C ATOM 556 O ARG A 35 10.899 0.771 -0.806 1.00 0.00 O ATOM 557 CB ARG A 35 8.284 2.096 -2.325 1.00 0.00 C ATOM 558 CG ARG A 35 7.000 2.923 -2.309 1.00 0.00 C ATOM 559 CD ARG A 35 6.502 3.214 -3.731 1.00 0.00 C ATOM 560 NE ARG A 35 5.724 2.093 -4.230 1.00 0.00 N ATOM 561 CZ ARG A 35 6.298 1.097 -4.875 1.00 0.00 C ATOM 562 NH1 ARG A 35 6.548 1.195 -6.145 1.00 0.00 N ATOM 563 NH2 ARG A 35 6.620 0.027 -4.228 1.00 0.00 N ATOM 0 H ARG A 35 7.239 2.967 -0.179 1.00 0.00 H new ATOM 0 HA ARG A 35 8.328 0.499 -0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.109 2.710 -2.685 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.175 1.267 -3.024 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.229 2.389 -1.754 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.177 3.862 -1.785 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.893 4.118 -3.733 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.350 3.400 -4.390 1.00 0.00 H new ATOM 0 HE ARG A 35 4.715 2.076 -4.078 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.300 2.046 -6.649 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.992 0.421 -6.639 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.430 -0.041 -3.228 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.065 -0.750 -4.717 1.00 0.00 H new ATOM 577 N ASP A 36 10.517 2.973 -0.434 1.00 0.00 N ATOM 578 CA ASP A 36 11.916 3.328 -0.214 1.00 0.00 C ATOM 579 C ASP A 36 12.456 2.646 1.032 1.00 0.00 C ATOM 580 O ASP A 36 13.622 2.249 1.086 1.00 0.00 O ATOM 581 CB ASP A 36 12.038 4.841 -0.059 1.00 0.00 C ATOM 582 CG ASP A 36 13.510 5.257 -0.048 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.063 5.437 -1.121 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.062 5.386 1.032 1.00 0.00 O ATOM 0 H ASP A 36 9.873 3.760 -0.356 1.00 0.00 H new ATOM 0 HA ASP A 36 12.498 2.994 -1.073 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.518 5.340 -0.877 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.556 5.159 0.866 1.00 0.00 H new ATOM 589 N ASP A 37 11.588 2.526 2.026 1.00 0.00 N ATOM 590 CA ASP A 37 11.949 1.902 3.290 1.00 0.00 C ATOM 591 C ASP A 37 10.744 1.197 3.892 1.00 0.00 C ATOM 592 O ASP A 37 9.920 1.812 4.577 1.00 0.00 O ATOM 593 CB ASP A 37 12.501 2.951 4.268 1.00 0.00 C ATOM 594 CG ASP A 37 13.243 2.275 5.430 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.737 1.291 5.954 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.304 2.759 5.787 1.00 0.00 O ATOM 0 H ASP A 37 10.623 2.855 1.980 1.00 0.00 H new ATOM 0 HA ASP A 37 12.727 1.162 3.103 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.177 3.625 3.742 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.684 3.558 4.657 1.00 0.00 H new ATOM 601 N PRO A 38 10.627 -0.082 3.643 1.00 0.00 N ATOM 602 CA PRO A 38 9.503 -0.893 4.162 1.00 0.00 C ATOM 603 C PRO A 38 9.579 -1.120 5.667 1.00 0.00 C ATOM 604 O PRO A 38 8.555 -1.204 6.339 1.00 0.00 O ATOM 605 CB PRO A 38 9.590 -2.208 3.399 1.00 0.00 C ATOM 606 CG PRO A 38 10.743 -2.114 2.452 1.00 0.00 C ATOM 607 CD PRO A 38 11.557 -0.890 2.841 1.00 0.00 C ATOM 0 HA PRO A 38 8.551 -0.383 4.013 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.729 -3.041 4.088 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.664 -2.396 2.855 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.356 -3.014 2.504 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.389 -2.028 1.425 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.442 -1.166 3.414 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.903 -0.345 1.962 1.00 0.00 H new ATOM 615 N SER A 39 10.795 -1.198 6.191 1.00 0.00 N ATOM 616 CA SER A 39 10.985 -1.381 7.626 1.00 0.00 C ATOM 617 C SER A 39 10.391 -0.177 8.346 1.00 0.00 C ATOM 618 O SER A 39 9.896 -0.277 9.471 1.00 0.00 O ATOM 619 CB SER A 39 12.476 -1.503 7.955 1.00 0.00 C ATOM 620 OG SER A 39 13.056 -2.510 7.134 1.00 0.00 O ATOM 0 H SER A 39 11.658 -1.138 5.651 1.00 0.00 H new ATOM 0 HA SER A 39 10.489 -2.296 7.950 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.976 -0.549 7.789 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.609 -1.754 9.007 1.00 0.00 H new ATOM 0 HG SER A 39 14.011 -2.590 7.340 1.00 0.00 H new ATOM 626 N GLN A 40 10.449 0.962 7.656 1.00 0.00 N ATOM 627 CA GLN A 40 9.930 2.219 8.166 1.00 0.00 C ATOM 628 C GLN A 40 8.412 2.321 7.941 1.00 0.00 C ATOM 629 O GLN A 40 7.793 3.293 8.337 1.00 0.00 O ATOM 630 CB GLN A 40 10.649 3.372 7.445 1.00 0.00 C ATOM 631 CG GLN A 40 10.462 4.701 8.194 1.00 0.00 C ATOM 632 CD GLN A 40 11.171 5.842 7.461 1.00 0.00 C ATOM 633 OE1 GLN A 40 10.966 7.009 7.793 1.00 0.00 O ATOM 634 NE2 GLN A 40 12.001 5.581 6.484 1.00 0.00 N ATOM 0 H GLN A 40 10.860 1.033 6.725 1.00 0.00 H new ATOM 0 HA GLN A 40 10.110 2.274 9.240 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.712 3.145 7.362 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.263 3.466 6.430 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.399 4.926 8.285 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.857 4.612 9.206 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.174 4.615 6.206 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.476 6.344 6.000 1.00 0.00 H new ATOM 643 N SER A 41 7.816 1.323 7.292 1.00 0.00 N ATOM 644 CA SER A 41 6.376 1.350 6.999 1.00 0.00 C ATOM 645 C SER A 41 5.539 1.678 8.237 1.00 0.00 C ATOM 646 O SER A 41 4.559 2.420 8.152 1.00 0.00 O ATOM 647 CB SER A 41 5.952 -0.027 6.490 1.00 0.00 C ATOM 648 OG SER A 41 6.119 -0.989 7.525 1.00 0.00 O ATOM 0 H SER A 41 8.300 0.489 6.959 1.00 0.00 H new ATOM 0 HA SER A 41 6.205 2.127 6.254 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.911 -0.002 6.167 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.549 -0.305 5.621 1.00 0.00 H new ATOM 0 HG SER A 41 7.007 -1.397 7.452 1.00 0.00 H new ATOM 654 N ALA A 42 5.947 1.140 9.377 1.00 0.00 N ATOM 655 CA ALA A 42 5.257 1.384 10.636 1.00 0.00 C ATOM 656 C ALA A 42 5.396 2.841 11.028 1.00 0.00 C ATOM 657 O ALA A 42 4.477 3.458 11.561 1.00 0.00 O ATOM 658 CB ALA A 42 5.906 0.542 11.720 1.00 0.00 C ATOM 0 H ALA A 42 6.758 0.527 9.456 1.00 0.00 H new ATOM 0 HA ALA A 42 4.203 1.130 10.521 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.398 0.716 12.669 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.830 -0.513 11.456 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.956 0.818 11.815 1.00 0.00 H new ATOM 664 N ASN A 43 6.581 3.357 10.757 1.00 0.00 N ATOM 665 CA ASN A 43 6.926 4.724 11.061 1.00 0.00 C ATOM 666 C ASN A 43 6.151 5.691 10.180 1.00 0.00 C ATOM 667 O ASN A 43 5.787 6.777 10.598 1.00 0.00 O ATOM 668 CB ASN A 43 8.421 4.890 10.821 1.00 0.00 C ATOM 669 CG ASN A 43 9.202 4.643 12.107 1.00 0.00 C ATOM 670 OD1 ASN A 43 9.007 3.625 12.771 1.00 0.00 O ATOM 671 ND2 ASN A 43 10.084 5.518 12.499 1.00 0.00 N ATOM 0 H ASN A 43 7.334 2.830 10.316 1.00 0.00 H new ATOM 0 HA ASN A 43 6.672 4.946 12.097 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.750 4.194 10.050 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.626 5.895 10.452 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.613 5.360 13.356 1.00 0.00 H new ATOM 0 HD22 ASN A 43 10.245 6.361 11.948 1.00 0.00 H new ATOM 678 N LEU A 44 5.927 5.267 8.954 1.00 0.00 N ATOM 679 CA LEU A 44 5.210 6.050 7.957 1.00 0.00 C ATOM 680 C LEU A 44 3.759 6.059 8.296 1.00 0.00 C ATOM 681 O LEU A 44 3.069 7.068 8.185 1.00 0.00 O ATOM 682 CB LEU A 44 5.492 5.410 6.612 1.00 0.00 C ATOM 683 CG LEU A 44 7.009 5.429 6.469 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.478 4.486 5.382 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.431 6.851 6.198 1.00 0.00 C ATOM 0 H LEU A 44 6.240 4.358 8.613 1.00 0.00 H new ATOM 0 HA LEU A 44 5.532 7.091 7.930 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.106 4.392 6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.014 5.964 5.804 1.00 0.00 H new ATOM 0 HG LEU A 44 7.474 5.077 7.390 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.565 4.527 5.309 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.168 3.469 5.624 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.039 4.782 4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.515 6.895 6.091 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.961 7.201 5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.122 7.487 7.028 1.00 0.00 H new ATOM 697 N LEU A 45 3.352 4.926 8.791 1.00 0.00 N ATOM 698 CA LEU A 45 2.006 4.743 9.277 1.00 0.00 C ATOM 699 C LEU A 45 1.840 5.650 10.490 1.00 0.00 C ATOM 700 O LEU A 45 0.799 6.271 10.702 1.00 0.00 O ATOM 701 CB LEU A 45 1.804 3.269 9.651 1.00 0.00 C ATOM 702 CG LEU A 45 0.564 3.094 10.530 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.670 3.644 9.810 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.382 1.606 10.827 1.00 0.00 C ATOM 0 H LEU A 45 3.942 4.098 8.871 1.00 0.00 H new ATOM 0 HA LEU A 45 1.263 4.999 8.522 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.700 2.671 8.746 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.684 2.900 10.178 1.00 0.00 H new ATOM 0 HG LEU A 45 0.690 3.643 11.463 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.548 3.515 10.443 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.526 4.704 9.600 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.815 3.105 8.874 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.499 1.465 11.453 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.253 1.061 9.892 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.262 1.229 11.348 1.00 0.00 H new ATOM 716 N ALA A 46 2.919 5.733 11.256 1.00 0.00 N ATOM 717 CA ALA A 46 2.969 6.571 12.438 1.00 0.00 C ATOM 718 C ALA A 46 2.912 8.028 12.034 1.00 0.00 C ATOM 719 O ALA A 46 2.160 8.825 12.596 1.00 0.00 O ATOM 720 CB ALA A 46 4.282 6.336 13.181 1.00 0.00 C ATOM 0 H ALA A 46 3.782 5.220 11.073 1.00 0.00 H new ATOM 0 HA ALA A 46 2.122 6.323 13.078 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.316 6.968 14.069 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.350 5.289 13.478 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.119 6.583 12.528 1.00 0.00 H new ATOM 726 N GLU A 47 3.716 8.343 11.030 1.00 0.00 N ATOM 727 CA GLU A 47 3.796 9.670 10.488 1.00 0.00 C ATOM 728 C GLU A 47 2.469 10.051 9.892 1.00 0.00 C ATOM 729 O GLU A 47 2.047 11.193 9.968 1.00 0.00 O ATOM 730 CB GLU A 47 4.838 9.689 9.382 1.00 0.00 C ATOM 731 CG GLU A 47 6.261 9.785 9.931 1.00 0.00 C ATOM 732 CD GLU A 47 6.389 10.920 10.955 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.055 12.046 10.618 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.819 10.643 12.063 1.00 0.00 O ATOM 0 H GLU A 47 4.332 7.671 10.572 1.00 0.00 H new ATOM 0 HA GLU A 47 4.064 10.369 11.280 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.743 8.785 8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.648 10.534 8.720 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.538 8.839 10.397 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.959 9.952 9.111 1.00 0.00 H new ATOM 741 N ALA A 48 1.820 9.068 9.297 1.00 0.00 N ATOM 742 CA ALA A 48 0.545 9.277 8.688 1.00 0.00 C ATOM 743 C ALA A 48 -0.475 9.562 9.765 1.00 0.00 C ATOM 744 O ALA A 48 -1.226 10.522 9.669 1.00 0.00 O ATOM 745 CB ALA A 48 0.200 8.030 7.911 1.00 0.00 C ATOM 0 H ALA A 48 2.169 8.112 9.229 1.00 0.00 H new ATOM 0 HA ALA A 48 0.557 10.129 8.009 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.771 8.157 7.432 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.960 7.854 7.150 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.161 7.178 8.589 1.00 0.00 H new ATOM 751 N LYS A 49 -0.451 8.749 10.819 1.00 0.00 N ATOM 752 CA LYS A 49 -1.343 8.954 11.949 1.00 0.00 C ATOM 753 C LYS A 49 -1.092 10.335 12.522 1.00 0.00 C ATOM 754 O LYS A 49 -2.004 10.992 13.015 1.00 0.00 O ATOM 755 CB LYS A 49 -1.085 7.893 13.020 1.00 0.00 C ATOM 756 CG LYS A 49 -2.209 6.857 12.995 1.00 0.00 C ATOM 757 CD LYS A 49 -2.099 5.987 11.734 1.00 0.00 C ATOM 758 CE LYS A 49 -3.446 5.319 11.451 1.00 0.00 C ATOM 759 NZ LYS A 49 -3.500 4.879 10.029 1.00 0.00 N ATOM 0 H LYS A 49 0.174 7.948 10.911 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.379 8.871 11.620 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.125 7.408 12.842 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.029 8.360 14.003 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.155 6.230 13.885 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.177 7.359 13.017 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.799 6.599 10.883 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.327 5.229 11.869 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.584 4.463 12.112 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.259 6.016 11.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.437 5.097 9.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.769 5.378 9.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.332 3.854 9.976 1.00 0.00 H new ATOM 773 N LYS A 50 0.160 10.767 12.426 1.00 0.00 N ATOM 774 CA LYS A 50 0.546 12.071 12.907 1.00 0.00 C ATOM 775 C LYS A 50 0.070 13.156 11.964 1.00 0.00 C ATOM 776 O LYS A 50 -0.405 14.206 12.397 1.00 0.00 O ATOM 777 CB LYS A 50 2.070 12.135 13.075 1.00 0.00 C ATOM 778 CG LYS A 50 2.492 11.382 14.347 1.00 0.00 C ATOM 779 CD LYS A 50 3.995 11.064 14.297 1.00 0.00 C ATOM 780 CE LYS A 50 4.808 12.358 14.159 1.00 0.00 C ATOM 781 NZ LYS A 50 6.246 12.073 14.422 1.00 0.00 N ATOM 0 H LYS A 50 0.921 10.225 12.017 1.00 0.00 H new ATOM 0 HA LYS A 50 0.075 12.238 13.876 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.559 11.697 12.205 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.394 13.174 13.133 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.269 11.985 15.227 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.920 10.459 14.440 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.292 10.534 15.202 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.206 10.402 13.457 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.686 12.772 13.158 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.441 13.107 14.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.763 12.969 14.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.335 11.514 15.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.645 11.537 13.625 1.00 0.00 H new ATOM 795 N LEU A 51 0.209 12.890 10.675 1.00 0.00 N ATOM 796 CA LEU A 51 -0.197 13.842 9.659 1.00 0.00 C ATOM 797 C LEU A 51 -1.706 13.952 9.611 1.00 0.00 C ATOM 798 O LEU A 51 -2.255 15.053 9.537 1.00 0.00 O ATOM 799 CB LEU A 51 0.349 13.442 8.284 1.00 0.00 C ATOM 800 CG LEU A 51 1.658 14.187 7.983 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.446 15.704 8.103 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.762 13.731 8.950 1.00 0.00 C ATOM 0 H LEU A 51 0.600 12.022 10.310 1.00 0.00 H new ATOM 0 HA LEU A 51 0.218 14.815 9.922 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.522 12.366 8.255 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.389 13.667 7.514 1.00 0.00 H new ATOM 0 HG LEU A 51 1.965 13.955 6.963 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.381 16.220 7.887 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.684 16.022 7.392 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.122 15.947 9.115 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.685 14.266 8.727 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.458 13.943 9.975 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.927 12.660 8.835 1.00 0.00 H new ATOM 814 N ASN A 52 -2.371 12.803 9.668 1.00 0.00 N ATOM 815 CA ASN A 52 -3.809 12.774 9.650 1.00 0.00 C ATOM 816 C ASN A 52 -4.311 13.456 10.913 1.00 0.00 C ATOM 817 O ASN A 52 -5.222 14.271 10.862 1.00 0.00 O ATOM 818 CB ASN A 52 -4.304 11.320 9.551 1.00 0.00 C ATOM 819 CG ASN A 52 -4.930 10.845 10.857 1.00 0.00 C ATOM 820 OD1 ASN A 52 -4.234 10.396 11.761 1.00 0.00 O ATOM 821 ND2 ASN A 52 -6.213 10.920 11.001 1.00 0.00 N ATOM 0 H ASN A 52 -1.928 11.886 9.727 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.197 13.305 8.781 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.035 11.239 8.747 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.470 10.669 9.290 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.648 10.605 11.868 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.790 11.294 10.247 1.00 0.00 H new ATOM 828 N ASP A 53 -3.681 13.125 12.047 1.00 0.00 N ATOM 829 CA ASP A 53 -4.066 13.731 13.309 1.00 0.00 C ATOM 830 C ASP A 53 -3.827 15.235 13.256 1.00 0.00 C ATOM 831 O ASP A 53 -4.651 16.022 13.721 1.00 0.00 O ATOM 832 CB ASP A 53 -3.290 13.117 14.477 1.00 0.00 C ATOM 833 CG ASP A 53 -3.692 13.796 15.786 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.735 13.450 16.317 1.00 0.00 O ATOM 835 OD2 ASP A 53 -2.956 14.661 16.234 1.00 0.00 O ATOM 0 H ASP A 53 -2.917 12.452 12.108 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.127 13.539 13.470 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.491 12.047 14.536 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.219 13.231 14.313 1.00 0.00 H new ATOM 840 N ALA A 54 -2.699 15.619 12.662 1.00 0.00 N ATOM 841 CA ALA A 54 -2.357 17.022 12.521 1.00 0.00 C ATOM 842 C ALA A 54 -3.415 17.714 11.668 1.00 0.00 C ATOM 843 O ALA A 54 -3.808 18.850 11.943 1.00 0.00 O ATOM 844 CB ALA A 54 -0.983 17.155 11.860 1.00 0.00 C ATOM 0 H ALA A 54 -2.011 14.975 12.273 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.322 17.491 13.504 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.730 18.210 11.756 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.233 16.661 12.478 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.006 16.689 10.875 1.00 0.00 H new ATOM 850 N GLN A 55 -3.885 16.997 10.646 1.00 0.00 N ATOM 851 CA GLN A 55 -4.919 17.511 9.756 1.00 0.00 C ATOM 852 C GLN A 55 -6.311 17.271 10.346 1.00 0.00 C ATOM 853 O GLN A 55 -7.310 17.779 9.832 1.00 0.00 O ATOM 854 CB GLN A 55 -4.789 16.822 8.397 1.00 0.00 C ATOM 855 CG GLN A 55 -3.569 17.385 7.658 1.00 0.00 C ATOM 856 CD GLN A 55 -3.232 16.504 6.465 1.00 0.00 C ATOM 857 OE1 GLN A 55 -3.397 16.910 5.316 1.00 0.00 O ATOM 858 NE2 GLN A 55 -2.767 15.308 6.675 1.00 0.00 N ATOM 0 H GLN A 55 -3.563 16.057 10.416 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.790 18.587 9.636 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.683 15.745 8.531 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.692 16.982 7.807 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.773 18.402 7.323 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.716 17.437 8.334 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.631 14.974 7.629 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.538 14.704 5.886 1.00 0.00 H new ATOM 867 N ALA A 56 -6.360 16.500 11.435 1.00 0.00 N ATOM 868 CA ALA A 56 -7.620 16.192 12.110 1.00 0.00 C ATOM 869 C ALA A 56 -7.943 17.270 13.134 1.00 0.00 C ATOM 870 O ALA A 56 -7.049 17.743 13.837 1.00 0.00 O ATOM 871 CB ALA A 56 -7.535 14.829 12.810 1.00 0.00 C ATOM 0 H ALA A 56 -5.539 16.077 11.868 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.411 16.157 11.361 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.481 14.616 13.307 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.330 14.053 12.072 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.733 14.849 13.548 1.00 0.00 H new ATOM 981 N PHE B 5 -10.426 -11.743 1.519 1.00 0.00 N ATOM 982 CA PHE B 5 -9.116 -11.386 1.000 1.00 0.00 C ATOM 983 C PHE B 5 -8.487 -10.216 1.753 1.00 0.00 C ATOM 984 O PHE B 5 -7.477 -9.703 1.317 1.00 0.00 O ATOM 985 CB PHE B 5 -9.244 -11.013 -0.483 1.00 0.00 C ATOM 986 CG PHE B 5 -9.230 -12.267 -1.311 1.00 0.00 C ATOM 987 CD1 PHE B 5 -10.177 -13.262 -1.068 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.265 -12.437 -2.308 1.00 0.00 C ATOM 989 CE1 PHE B 5 -10.160 -14.435 -1.830 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.246 -13.609 -3.067 1.00 0.00 C ATOM 991 CZ PHE B 5 -9.195 -14.608 -2.828 1.00 0.00 C ATOM 0 HA PHE B 5 -8.467 -12.252 1.132 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -10.168 -10.461 -0.653 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.423 -10.359 -0.778 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -10.920 -13.127 -0.295 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.535 -11.663 -2.491 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -10.892 -15.208 -1.648 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.500 -13.744 -3.837 1.00 0.00 H new ATOM 0 HZ PHE B 5 -9.183 -15.515 -3.415 1.00 0.00 H new ATOM 1001 N ASN B 6 -9.067 -9.790 2.878 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.482 -8.677 3.637 1.00 0.00 C ATOM 1003 C ASN B 6 -7.023 -8.997 3.943 1.00 0.00 C ATOM 1004 O ASN B 6 -6.141 -8.182 3.688 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.258 -8.447 4.941 1.00 0.00 C ATOM 1006 CG ASN B 6 -8.972 -7.049 5.493 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -9.899 -6.319 5.839 1.00 0.00 O ATOM 1008 ND2 ASN B 6 -7.740 -6.629 5.591 1.00 0.00 N ATOM 0 H ASN B 6 -9.919 -10.185 3.277 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.541 -7.765 3.042 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -10.327 -8.562 4.761 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -8.976 -9.200 5.677 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -7.547 -5.696 5.954 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -6.971 -7.234 5.304 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.783 -10.213 4.432 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.425 -10.669 4.718 1.00 0.00 C ATOM 1017 C LYS B 7 -4.615 -10.709 3.425 1.00 0.00 C ATOM 1018 O LYS B 7 -3.471 -10.254 3.372 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.482 -12.077 5.333 1.00 0.00 C ATOM 1020 CG LYS B 7 -4.064 -12.637 5.522 1.00 0.00 C ATOM 1021 CD LYS B 7 -4.142 -14.091 6.005 1.00 0.00 C ATOM 1022 CE LYS B 7 -2.748 -14.726 5.964 1.00 0.00 C ATOM 1023 NZ LYS B 7 -2.327 -14.910 4.545 1.00 0.00 N ATOM 0 H LYS B 7 -7.510 -10.898 4.638 1.00 0.00 H new ATOM 0 HA LYS B 7 -4.950 -9.983 5.419 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -5.996 -12.041 6.293 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -6.058 -12.740 4.687 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.514 -12.585 4.582 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.517 -12.032 6.245 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -4.538 -14.126 7.020 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -4.828 -14.657 5.375 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -2.032 -14.092 6.488 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -2.759 -15.687 6.479 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -1.979 -15.881 4.409 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -3.139 -14.742 3.917 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -1.568 -14.236 4.318 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.239 -11.270 2.392 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.617 -11.407 1.080 1.00 0.00 C ATOM 1039 C GLU B 8 -4.351 -10.041 0.447 1.00 0.00 C ATOM 1040 O GLU B 8 -3.370 -9.859 -0.277 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.554 -12.224 0.167 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.786 -13.627 0.758 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.456 -14.291 1.135 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -3.645 -14.499 0.246 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -4.272 -14.583 2.307 1.00 0.00 O ATOM 0 H GLU B 8 -6.188 -11.641 2.442 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.660 -11.916 1.198 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.507 -11.707 0.056 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.119 -12.309 -0.829 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.423 -13.553 1.640 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -6.314 -14.248 0.034 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.241 -9.096 0.728 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.138 -7.753 0.201 1.00 0.00 C ATOM 1054 C ARG B 9 -3.923 -7.054 0.791 1.00 0.00 C ATOM 1055 O ARG B 9 -3.186 -6.379 0.087 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.411 -6.966 0.540 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.268 -5.521 0.053 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.611 -4.799 0.153 1.00 0.00 C ATOM 1059 NE ARG B 9 -7.982 -4.607 1.553 1.00 0.00 N ATOM 1060 CZ ARG B 9 -9.252 -4.494 1.921 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -10.093 -3.836 1.171 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -9.660 -5.041 3.029 1.00 0.00 N ATOM 0 H ARG B 9 -6.052 -9.246 1.328 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.025 -7.802 -0.882 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.276 -7.435 0.070 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.585 -6.982 1.616 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.520 -5.000 0.651 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -5.916 -5.510 -0.978 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -7.551 -3.834 -0.350 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -8.381 -5.377 -0.358 1.00 0.00 H new ATOM 0 HE ARG B 9 -7.250 -4.559 2.262 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -9.774 -3.408 0.302 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -11.069 -3.749 1.454 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -9.004 -5.557 3.615 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -10.636 -4.954 3.311 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.726 -7.237 2.098 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.600 -6.622 2.799 1.00 0.00 C ATOM 1078 C VAL B 10 -1.291 -7.069 2.162 1.00 0.00 C ATOM 1079 O VAL B 10 -0.362 -6.280 2.005 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.599 -7.048 4.271 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -1.515 -6.281 5.042 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -3.988 -6.837 4.910 1.00 0.00 C ATOM 0 H VAL B 10 -4.331 -7.805 2.691 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.698 -5.539 2.730 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.372 -8.113 4.323 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -1.523 -6.591 6.087 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -0.539 -6.495 4.607 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -1.713 -5.211 4.980 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -3.959 -7.147 5.954 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -4.259 -5.783 4.852 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -4.729 -7.432 4.375 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.240 -8.345 1.795 1.00 0.00 N ATOM 1093 CA ILE B 11 -0.054 -8.913 1.168 1.00 0.00 C ATOM 1094 C ILE B 11 0.127 -8.315 -0.226 1.00 0.00 C ATOM 1095 O ILE B 11 1.250 -8.018 -0.633 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.172 -10.444 1.085 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.615 -11.014 2.466 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.184 -11.029 0.658 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.535 -11.732 3.199 1.00 0.00 C ATOM 0 H ILE B 11 -2.007 -9.005 1.921 1.00 0.00 H new ATOM 0 HA ILE B 11 0.819 -8.671 1.774 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.924 -10.722 0.346 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.989 -10.201 3.089 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.441 -11.710 2.321 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.109 -12.115 0.597 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.462 -10.629 -0.317 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.944 -10.759 1.391 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.176 -12.111 4.156 1.00 0.00 H new ATOM 0 HD12 ILE B 11 0.892 -12.563 2.590 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.352 -11.030 3.370 1.00 0.00 H new ATOM 1111 N ALA B 12 -0.991 -8.118 -0.944 1.00 0.00 N ATOM 1112 CA ALA B 12 -0.945 -7.531 -2.275 1.00 0.00 C ATOM 1113 C ALA B 12 -0.458 -6.120 -2.180 1.00 0.00 C ATOM 1114 O ALA B 12 0.438 -5.743 -2.915 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.332 -7.548 -2.906 1.00 0.00 C ATOM 0 H ALA B 12 -1.928 -8.358 -0.620 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.266 -8.114 -2.897 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.284 -7.106 -3.901 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.685 -8.577 -2.982 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -3.021 -6.973 -2.287 1.00 0.00 H new ATOM 1121 N ILE B 13 -1.013 -5.368 -1.230 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.587 -3.997 -1.016 1.00 0.00 C ATOM 1123 C ILE B 13 0.897 -4.048 -0.741 1.00 0.00 C ATOM 1124 O ILE B 13 1.670 -3.328 -1.342 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.359 -3.394 0.178 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -2.842 -3.401 -0.150 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -0.950 -1.943 0.437 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.672 -3.200 1.106 1.00 0.00 C ATOM 0 H ILE B 13 -1.752 -5.687 -0.604 1.00 0.00 H new ATOM 0 HA ILE B 13 -0.790 -3.367 -1.882 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.134 -3.991 1.062 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.064 -2.612 -0.868 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.111 -4.346 -0.622 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.514 -1.552 1.284 1.00 0.00 H new ATOM 0 HG22 ILE B 13 0.116 -1.900 0.659 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.161 -1.342 -0.448 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.731 -3.208 0.848 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.464 -4.004 1.812 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.417 -2.243 1.561 1.00 0.00 H new ATOM 1140 N GLY B 14 1.283 -4.979 0.116 1.00 0.00 N ATOM 1141 CA GLY B 14 2.686 -5.180 0.429 1.00 0.00 C ATOM 1142 C GLY B 14 3.485 -5.455 -0.835 1.00 0.00 C ATOM 1143 O GLY B 14 4.575 -4.929 -1.006 1.00 0.00 O ATOM 0 H GLY B 14 0.645 -5.606 0.606 1.00 0.00 H new ATOM 0 HA2 GLY B 14 3.082 -4.297 0.930 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.793 -6.015 1.122 1.00 0.00 H new ATOM 1147 N GLU B 15 2.927 -6.274 -1.725 1.00 0.00 N ATOM 1148 CA GLU B 15 3.602 -6.609 -2.964 1.00 0.00 C ATOM 1149 C GLU B 15 3.725 -5.380 -3.835 1.00 0.00 C ATOM 1150 O GLU B 15 4.788 -5.136 -4.395 1.00 0.00 O ATOM 1151 CB GLU B 15 2.836 -7.706 -3.697 1.00 0.00 C ATOM 1152 CG GLU B 15 3.765 -8.467 -4.665 1.00 0.00 C ATOM 1153 CD GLU B 15 3.539 -9.975 -4.532 1.00 0.00 C ATOM 1154 OE1 GLU B 15 2.423 -10.413 -4.759 1.00 0.00 O ATOM 1155 OE2 GLU B 15 4.488 -10.670 -4.208 1.00 0.00 O ATOM 0 H GLU B 15 2.014 -6.713 -1.606 1.00 0.00 H new ATOM 0 HA GLU B 15 4.603 -6.976 -2.735 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.407 -8.401 -2.975 1.00 0.00 H new ATOM 0 HB3 GLU B 15 2.005 -7.268 -4.251 1.00 0.00 H new ATOM 0 HG2 GLU B 15 3.572 -8.151 -5.690 1.00 0.00 H new ATOM 0 HG3 GLU B 15 4.806 -8.227 -4.448 1.00 0.00 H new ATOM 1162 N ILE B 16 2.648 -4.586 -3.939 1.00 0.00 N ATOM 1163 CA ILE B 16 2.744 -3.368 -4.772 1.00 0.00 C ATOM 1164 C ILE B 16 3.888 -2.511 -4.231 1.00 0.00 C ATOM 1165 O ILE B 16 4.772 -2.072 -4.967 1.00 0.00 O ATOM 1166 CB ILE B 16 1.489 -2.447 -4.725 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.167 -3.215 -4.638 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.462 -1.560 -5.976 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.117 -3.936 -5.943 1.00 0.00 C ATOM 0 H ILE B 16 1.748 -4.746 -3.487 1.00 0.00 H new ATOM 0 HA ILE B 16 2.876 -3.722 -5.794 1.00 0.00 H new ATOM 0 HB ILE B 16 1.576 -1.853 -3.815 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.211 -3.935 -3.820 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.647 -2.526 -4.412 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.584 -0.914 -5.945 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.363 -0.947 -6.007 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.420 -2.188 -6.866 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.060 -4.476 -5.862 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.183 -3.210 -6.753 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.688 -4.641 -6.152 1.00 0.00 H new ATOM 1181 N MET B 17 3.829 -2.295 -2.925 1.00 0.00 N ATOM 1182 CA MET B 17 4.816 -1.505 -2.202 1.00 0.00 C ATOM 1183 C MET B 17 6.212 -2.141 -2.307 1.00 0.00 C ATOM 1184 O MET B 17 7.221 -1.437 -2.240 1.00 0.00 O ATOM 1185 CB MET B 17 4.361 -1.368 -0.755 1.00 0.00 C ATOM 1186 CG MET B 17 2.932 -0.803 -0.720 1.00 0.00 C ATOM 1187 SD MET B 17 2.928 0.880 -1.339 1.00 0.00 S ATOM 1188 CE MET B 17 3.947 1.564 -0.035 1.00 0.00 C ATOM 0 H MET B 17 3.088 -2.667 -2.331 1.00 0.00 H new ATOM 0 HA MET B 17 4.895 -0.512 -2.644 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.392 -2.338 -0.259 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.038 -0.709 -0.210 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.271 -1.424 -1.324 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.547 -0.826 0.299 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.412 2.377 0.456 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.175 0.787 0.695 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.875 1.945 -0.461 1.00 0.00 H new ATOM 1198 N ARG B 18 6.267 -3.468 -2.495 1.00 0.00 N ATOM 1199 CA ARG B 18 7.548 -4.163 -2.649 1.00 0.00 C ATOM 1200 C ARG B 18 8.151 -3.862 -4.018 1.00 0.00 C ATOM 1201 O ARG B 18 9.366 -3.718 -4.151 1.00 0.00 O ATOM 1202 CB ARG B 18 7.371 -5.672 -2.520 1.00 0.00 C ATOM 1203 CG ARG B 18 7.100 -6.067 -1.065 1.00 0.00 C ATOM 1204 CD ARG B 18 8.360 -6.646 -0.418 1.00 0.00 C ATOM 1205 NE ARG B 18 8.621 -7.993 -0.921 1.00 0.00 N ATOM 1206 CZ ARG B 18 7.870 -9.027 -0.553 1.00 0.00 C ATOM 1207 NH1 ARG B 18 8.171 -9.702 0.519 1.00 0.00 N ATOM 1208 NH2 ARG B 18 6.832 -9.362 -1.264 1.00 0.00 N ATOM 0 H ARG B 18 5.448 -4.073 -2.543 1.00 0.00 H new ATOM 0 HA ARG B 18 8.211 -3.808 -1.860 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.545 -6.001 -3.150 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.267 -6.179 -2.878 1.00 0.00 H new ATOM 0 HG2 ARG B 18 6.764 -5.196 -0.503 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.295 -6.801 -1.026 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.213 -6.001 -0.629 1.00 0.00 H new ATOM 0 HD3 ARG B 18 8.240 -6.673 0.665 1.00 0.00 H new ATOM 0 HE ARG B 18 9.395 -8.143 -1.568 1.00 0.00 H new ATOM 0 HH11 ARG B 18 8.983 -9.438 1.077 1.00 0.00 H new ATOM 0 HH12 ARG B 18 7.595 -10.495 0.801 1.00 0.00 H new ATOM 0 HH21 ARG B 18 6.595 -8.832 -2.102 1.00 0.00 H new ATOM 0 HH22 ARG B 18 6.255 -10.155 -0.983 1.00 0.00 H new ATOM 1222 N LEU B 19 7.280 -3.787 -5.034 1.00 0.00 N ATOM 1223 CA LEU B 19 7.714 -3.523 -6.407 1.00 0.00 C ATOM 1224 C LEU B 19 8.456 -2.194 -6.499 1.00 0.00 C ATOM 1225 O LEU B 19 7.853 -1.134 -6.341 1.00 0.00 O ATOM 1226 CB LEU B 19 6.504 -3.481 -7.352 1.00 0.00 C ATOM 1227 CG LEU B 19 5.777 -4.829 -7.405 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.476 -4.676 -8.187 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.640 -5.866 -8.101 1.00 0.00 C ATOM 0 H LEU B 19 6.273 -3.906 -4.928 1.00 0.00 H new ATOM 0 HA LEU B 19 8.385 -4.330 -6.701 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.811 -2.707 -7.022 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.834 -3.206 -8.354 1.00 0.00 H new ATOM 0 HG LEU B 19 5.570 -5.152 -6.385 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.959 -5.635 -8.225 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.840 -3.940 -7.695 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.698 -4.344 -9.201 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.111 -6.819 -8.131 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.855 -5.538 -9.118 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.575 -5.988 -7.554 1.00 0.00 H new ATOM 1241 N PRO B 20 9.745 -2.228 -6.747 1.00 0.00 N ATOM 1242 CA PRO B 20 10.574 -0.999 -6.854 1.00 0.00 C ATOM 1243 C PRO B 20 10.421 -0.273 -8.196 1.00 0.00 C ATOM 1244 O PRO B 20 10.905 0.851 -8.342 1.00 0.00 O ATOM 1245 CB PRO B 20 12.015 -1.509 -6.674 1.00 0.00 C ATOM 1246 CG PRO B 20 11.940 -2.986 -6.466 1.00 0.00 C ATOM 1247 CD PRO B 20 10.575 -3.426 -6.957 1.00 0.00 C ATOM 0 HA PRO B 20 10.273 -0.259 -6.112 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.618 -1.274 -7.551 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.491 -1.024 -5.821 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.732 -3.495 -7.016 1.00 0.00 H new ATOM 0 HG3 PRO B 20 12.072 -3.236 -5.413 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.599 -3.721 -8.006 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.200 -4.281 -6.394 1.00 0.00 H new ATOM 1255 N ASN B 21 9.769 -0.914 -9.175 1.00 0.00 N ATOM 1256 CA ASN B 21 9.601 -0.296 -10.490 1.00 0.00 C ATOM 1257 C ASN B 21 8.282 0.474 -10.583 1.00 0.00 C ATOM 1258 O ASN B 21 8.139 1.348 -11.442 1.00 0.00 O ATOM 1259 CB ASN B 21 9.669 -1.361 -11.589 1.00 0.00 C ATOM 1260 CG ASN B 21 10.980 -2.141 -11.503 1.00 0.00 C ATOM 1261 OD1 ASN B 21 12.017 -1.590 -11.131 1.00 0.00 O ATOM 1262 ND2 ASN B 21 10.996 -3.401 -11.835 1.00 0.00 N ATOM 0 H ASN B 21 9.357 -1.843 -9.082 1.00 0.00 H new ATOM 0 HA ASN B 21 10.415 0.416 -10.630 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.826 -2.045 -11.492 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.585 -0.888 -12.567 1.00 0.00 H new ATOM 0 HD21 ASN B 21 11.867 -3.930 -11.787 1.00 0.00 H new ATOM 0 HD22 ASN B 21 10.138 -3.858 -12.143 1.00 0.00 H new ATOM 1269 N LEU B 22 7.319 0.162 -9.701 1.00 0.00 N ATOM 1270 CA LEU B 22 6.033 0.864 -9.727 1.00 0.00 C ATOM 1271 C LEU B 22 6.169 2.292 -9.219 1.00 0.00 C ATOM 1272 O LEU B 22 7.000 2.593 -8.361 1.00 0.00 O ATOM 1273 CB LEU B 22 4.970 0.161 -8.861 1.00 0.00 C ATOM 1274 CG LEU B 22 4.671 -1.255 -9.347 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.368 -1.756 -8.711 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.511 -1.247 -10.846 1.00 0.00 C ATOM 0 H LEU B 22 7.405 -0.554 -8.979 1.00 0.00 H new ATOM 0 HA LEU B 22 5.717 0.860 -10.770 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.314 0.123 -7.827 1.00 0.00 H new ATOM 0 HB3 LEU B 22 4.051 0.747 -8.870 1.00 0.00 H new ATOM 0 HG LEU B 22 5.494 -1.912 -9.064 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.158 -2.767 -9.060 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.471 -1.761 -7.626 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.548 -1.096 -8.994 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.297 -2.257 -11.195 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.688 -0.587 -11.121 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.432 -0.891 -11.308 1.00 0.00 H new ATOM 1288 N ASN B 23 5.300 3.150 -9.738 1.00 0.00 N ATOM 1289 CA ASN B 23 5.248 4.547 -9.333 1.00 0.00 C ATOM 1290 C ASN B 23 4.406 4.624 -8.054 1.00 0.00 C ATOM 1291 O ASN B 23 3.558 3.764 -7.832 1.00 0.00 O ATOM 1292 CB ASN B 23 4.633 5.340 -10.521 1.00 0.00 C ATOM 1293 CG ASN B 23 3.619 6.406 -10.119 1.00 0.00 C ATOM 1294 OD1 ASN B 23 3.776 7.083 -9.123 1.00 0.00 O ATOM 1295 ND2 ASN B 23 2.577 6.604 -10.877 1.00 0.00 N ATOM 0 H ASN B 23 4.614 2.897 -10.449 1.00 0.00 H new ATOM 0 HA ASN B 23 6.225 4.976 -9.110 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.440 5.817 -11.078 1.00 0.00 H new ATOM 0 HB3 ASN B 23 4.150 4.636 -11.199 1.00 0.00 H new ATOM 0 HD21 ASN B 23 1.898 7.325 -10.633 1.00 0.00 H new ATOM 0 HD22 ASN B 23 2.441 6.038 -11.715 1.00 0.00 H new ATOM 1302 N SER B 24 4.626 5.647 -7.219 1.00 0.00 N ATOM 1303 CA SER B 24 3.850 5.775 -5.981 1.00 0.00 C ATOM 1304 C SER B 24 2.372 5.896 -6.326 1.00 0.00 C ATOM 1305 O SER B 24 1.520 5.258 -5.710 1.00 0.00 O ATOM 1306 CB SER B 24 4.310 6.990 -5.175 1.00 0.00 C ATOM 1307 OG SER B 24 3.769 6.907 -3.863 1.00 0.00 O ATOM 0 H SER B 24 5.317 6.381 -7.372 1.00 0.00 H new ATOM 0 HA SER B 24 4.009 4.888 -5.368 1.00 0.00 H new ATOM 0 HB2 SER B 24 5.399 7.023 -5.132 1.00 0.00 H new ATOM 0 HB3 SER B 24 3.982 7.910 -5.660 1.00 0.00 H new ATOM 0 HG SER B 24 4.499 6.879 -3.209 1.00 0.00 H new ATOM 1313 N LEU B 25 2.096 6.690 -7.355 1.00 0.00 N ATOM 1314 CA LEU B 25 0.745 6.877 -7.847 1.00 0.00 C ATOM 1315 C LEU B 25 0.253 5.593 -8.501 1.00 0.00 C ATOM 1316 O LEU B 25 -0.916 5.230 -8.356 1.00 0.00 O ATOM 1317 CB LEU B 25 0.693 8.034 -8.857 1.00 0.00 C ATOM 1318 CG LEU B 25 -0.067 9.206 -8.268 1.00 0.00 C ATOM 1319 CD1 LEU B 25 -0.103 10.367 -9.271 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -1.484 8.749 -7.941 1.00 0.00 C ATOM 0 H LEU B 25 2.803 7.218 -7.867 1.00 0.00 H new ATOM 0 HA LEU B 25 0.098 7.124 -7.005 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.705 8.342 -9.121 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.210 7.703 -9.777 1.00 0.00 H new ATOM 0 HG LEU B 25 0.428 9.553 -7.361 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.651 11.204 -8.839 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.915 10.680 -9.502 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.599 10.042 -10.186 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -2.046 9.581 -7.516 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -1.975 8.407 -8.852 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.446 7.931 -7.221 1.00 0.00 H new ATOM 1332 N GLN B 26 1.159 4.885 -9.192 1.00 0.00 N ATOM 1333 CA GLN B 26 0.786 3.614 -9.824 1.00 0.00 C ATOM 1334 C GLN B 26 0.411 2.624 -8.740 1.00 0.00 C ATOM 1335 O GLN B 26 -0.521 1.835 -8.877 1.00 0.00 O ATOM 1336 CB GLN B 26 1.961 3.018 -10.598 1.00 0.00 C ATOM 1337 CG GLN B 26 1.887 3.355 -12.092 1.00 0.00 C ATOM 1338 CD GLN B 26 3.103 2.768 -12.799 1.00 0.00 C ATOM 1339 OE1 GLN B 26 3.288 2.978 -13.997 1.00 0.00 O ATOM 1340 NE2 GLN B 26 3.941 2.027 -12.125 1.00 0.00 N ATOM 0 H GLN B 26 2.131 5.163 -9.325 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.042 3.803 -10.507 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.897 3.396 -10.186 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.970 1.936 -10.469 1.00 0.00 H new ATOM 0 HG2 GLN B 26 0.971 2.951 -12.523 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.856 4.436 -12.232 1.00 0.00 H new ATOM 0 HE21 GLN B 26 3.785 1.855 -11.132 1.00 0.00 H new ATOM 0 HE22 GLN B 26 4.752 1.620 -12.592 1.00 0.00 H new ATOM 1349 N VAL B 27 1.169 2.695 -7.660 1.00 0.00 N ATOM 1350 CA VAL B 27 0.967 1.835 -6.517 1.00 0.00 C ATOM 1351 C VAL B 27 -0.375 2.138 -5.898 1.00 0.00 C ATOM 1352 O VAL B 27 -1.154 1.231 -5.630 1.00 0.00 O ATOM 1353 CB VAL B 27 2.143 2.022 -5.552 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.847 1.409 -4.182 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.363 1.331 -6.175 1.00 0.00 C ATOM 0 H VAL B 27 1.942 3.353 -7.555 1.00 0.00 H new ATOM 0 HA VAL B 27 0.947 0.783 -6.802 1.00 0.00 H new ATOM 0 HB VAL B 27 2.324 3.086 -5.399 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.702 1.560 -3.523 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.968 1.888 -3.751 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.660 0.341 -4.294 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.222 1.444 -5.514 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.149 0.271 -6.315 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.586 1.786 -7.140 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.666 3.421 -5.753 1.00 0.00 N ATOM 1366 CA VAL B 28 -1.949 3.844 -5.249 1.00 0.00 C ATOM 1367 C VAL B 28 -3.031 3.334 -6.205 1.00 0.00 C ATOM 1368 O VAL B 28 -4.125 2.983 -5.782 1.00 0.00 O ATOM 1369 CB VAL B 28 -2.001 5.374 -5.142 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.383 5.792 -4.634 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -0.912 5.871 -4.169 1.00 0.00 C ATOM 0 H VAL B 28 -0.026 4.183 -5.979 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.114 3.435 -4.252 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.822 5.815 -6.123 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.428 6.878 -4.555 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.147 5.447 -5.331 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.560 5.349 -3.654 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -0.956 6.958 -4.099 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.079 5.437 -3.183 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.069 5.570 -4.537 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.699 3.285 -7.500 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.627 2.805 -8.514 1.00 0.00 C ATOM 1383 C ALA B 29 -4.044 1.382 -8.186 1.00 0.00 C ATOM 1384 O ALA B 29 -5.229 1.037 -8.240 1.00 0.00 O ATOM 1385 CB ALA B 29 -2.950 2.837 -9.894 1.00 0.00 C ATOM 0 H ALA B 29 -1.791 3.574 -7.865 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.507 3.448 -8.530 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.648 2.477 -10.650 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.654 3.859 -10.131 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.067 2.198 -9.881 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.055 0.564 -7.825 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.304 -0.799 -7.477 1.00 0.00 C ATOM 1393 C PHE B 30 -3.963 -0.884 -6.097 1.00 0.00 C ATOM 1394 O PHE B 30 -4.944 -1.600 -5.931 1.00 0.00 O ATOM 1395 CB PHE B 30 -1.974 -1.568 -7.535 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.448 -1.557 -8.972 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.217 -2.089 -10.036 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.198 -0.969 -9.259 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.735 -2.022 -11.342 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.269 -0.919 -10.566 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.498 -1.441 -11.609 1.00 0.00 C ATOM 0 H PHE B 30 -2.075 0.842 -7.772 1.00 0.00 H new ATOM 0 HA PHE B 30 -3.999 -1.253 -8.184 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.246 -1.110 -6.865 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.118 -2.594 -7.196 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.175 -2.546 -9.836 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.398 -0.556 -8.459 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.325 -2.424 -12.153 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.230 -0.474 -10.776 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.132 -1.394 -12.624 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.453 -0.120 -5.122 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.032 -0.129 -3.771 1.00 0.00 C ATOM 1413 C ILE B 31 -5.509 0.266 -3.827 1.00 0.00 C ATOM 1414 O ILE B 31 -6.369 -0.408 -3.261 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.279 0.853 -2.857 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.807 0.428 -2.715 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -3.927 0.857 -1.465 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -1.004 1.580 -2.098 1.00 0.00 C ATOM 0 H ILE B 31 -2.654 0.503 -5.239 1.00 0.00 H new ATOM 0 HA ILE B 31 -3.940 -1.137 -3.367 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.328 1.848 -3.299 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.732 -0.460 -2.087 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.397 0.165 -3.690 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.394 1.553 -0.817 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -4.969 1.166 -1.550 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -3.879 -0.145 -1.039 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.040 1.282 -1.996 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.070 2.456 -2.743 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.410 1.821 -1.116 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.786 1.356 -4.527 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.147 1.849 -4.680 1.00 0.00 C ATOM 1432 C ASN B 32 -8.033 0.803 -5.358 1.00 0.00 C ATOM 1433 O ASN B 32 -9.233 0.741 -5.095 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.137 3.132 -5.520 1.00 0.00 C ATOM 1435 CG ASN B 32 -8.445 3.907 -5.367 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -9.405 3.428 -4.761 1.00 0.00 O ATOM 1437 ND2 ASN B 32 -8.531 5.096 -5.886 1.00 0.00 N ATOM 0 H ASN B 32 -5.081 1.920 -5.001 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.552 2.057 -3.690 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.301 3.762 -5.216 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -6.981 2.881 -6.569 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -9.393 5.633 -5.792 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -7.736 5.492 -6.388 1.00 0.00 H new ATOM 1444 N SER B 33 -7.439 -0.027 -6.227 1.00 0.00 N ATOM 1445 CA SER B 33 -8.191 -1.048 -6.910 1.00 0.00 C ATOM 1446 C SER B 33 -8.504 -2.182 -5.950 1.00 0.00 C ATOM 1447 O SER B 33 -9.542 -2.824 -6.075 1.00 0.00 O ATOM 1448 CB SER B 33 -7.448 -1.510 -8.146 1.00 0.00 C ATOM 1449 OG SER B 33 -7.730 -0.624 -9.221 1.00 0.00 O ATOM 0 H SER B 33 -6.447 0.001 -6.461 1.00 0.00 H new ATOM 0 HA SER B 33 -9.143 -0.643 -7.253 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.376 -1.535 -7.952 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.749 -2.525 -8.407 1.00 0.00 H new ATOM 0 HG SER B 33 -7.084 0.113 -9.215 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.632 -2.396 -4.952 1.00 0.00 N ATOM 1456 CA LEU B 34 -7.910 -3.423 -3.947 1.00 0.00 C ATOM 1457 C LEU B 34 -9.169 -2.964 -3.223 1.00 0.00 C ATOM 1458 O LEU B 34 -10.092 -3.736 -2.979 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.768 -3.572 -2.930 1.00 0.00 C ATOM 1460 CG LEU B 34 -5.397 -3.449 -3.604 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -4.300 -3.750 -2.608 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.271 -4.416 -4.755 1.00 0.00 C ATOM 0 H LEU B 34 -6.757 -1.888 -4.824 1.00 0.00 H new ATOM 0 HA LEU B 34 -8.024 -4.394 -4.430 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.865 -2.809 -2.158 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.845 -4.539 -2.434 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.302 -2.429 -3.976 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.330 -3.660 -3.097 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.356 -3.043 -1.780 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.422 -4.764 -2.228 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.289 -4.308 -5.215 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.389 -5.436 -4.388 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.044 -4.204 -5.494 1.00 0.00 H new ATOM 1474 N ARG B 35 -9.192 -1.657 -2.939 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.346 -1.009 -2.307 1.00 0.00 C ATOM 1476 C ARG B 35 -11.580 -1.247 -3.172 1.00 0.00 C ATOM 1477 O ARG B 35 -12.648 -1.614 -2.681 1.00 0.00 O ATOM 1478 CB ARG B 35 -10.080 0.510 -2.231 1.00 0.00 C ATOM 1479 CG ARG B 35 -10.107 1.018 -0.782 1.00 0.00 C ATOM 1480 CD ARG B 35 -8.816 1.786 -0.481 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.575 1.828 0.955 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.370 2.518 1.763 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -10.461 1.974 2.221 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -9.059 3.737 2.099 1.00 0.00 N ATOM 0 H ARG B 35 -8.418 -1.023 -3.139 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.504 -1.415 -1.308 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -9.111 0.733 -2.677 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -10.830 1.041 -2.817 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -10.971 1.665 -0.629 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -10.212 0.179 -0.094 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -7.975 1.308 -0.984 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -8.888 2.800 -0.874 1.00 0.00 H new ATOM 0 HE ARG B 35 -7.782 1.319 1.346 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -10.704 1.019 1.959 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -11.073 2.503 2.842 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -8.204 4.162 1.741 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -9.671 4.267 2.720 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.392 -1.033 -4.473 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.445 -1.212 -5.464 1.00 0.00 C ATOM 1500 C ASP B 36 -12.867 -2.681 -5.553 1.00 0.00 C ATOM 1501 O ASP B 36 -14.047 -2.991 -5.722 1.00 0.00 O ATOM 1502 CB ASP B 36 -11.922 -0.733 -6.828 1.00 0.00 C ATOM 1503 CG ASP B 36 -11.593 0.770 -6.804 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -12.145 1.482 -5.977 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -10.788 1.187 -7.620 1.00 0.00 O ATOM 0 H ASP B 36 -10.502 -0.730 -4.868 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.318 -0.630 -5.170 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -11.030 -1.299 -7.097 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -12.669 -0.932 -7.597 1.00 0.00 H new ATOM 1510 N ASP B 37 -11.881 -3.570 -5.441 1.00 0.00 N ATOM 1511 CA ASP B 37 -12.115 -5.012 -5.513 1.00 0.00 C ATOM 1512 C ASP B 37 -11.054 -5.759 -4.719 1.00 0.00 C ATOM 1513 O ASP B 37 -9.978 -6.081 -5.235 1.00 0.00 O ATOM 1514 CB ASP B 37 -12.091 -5.477 -6.976 1.00 0.00 C ATOM 1515 CG ASP B 37 -13.513 -5.661 -7.502 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -14.039 -6.753 -7.360 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -14.055 -4.708 -8.037 1.00 0.00 O ATOM 0 H ASP B 37 -10.904 -3.314 -5.299 1.00 0.00 H new ATOM 0 HA ASP B 37 -13.094 -5.227 -5.085 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -11.562 -4.746 -7.588 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -11.543 -6.416 -7.057 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.341 -6.044 -3.474 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.402 -6.777 -2.591 1.00 0.00 C ATOM 1524 C PRO B 38 -10.271 -8.241 -2.993 1.00 0.00 C ATOM 1525 O PRO B 38 -9.254 -8.881 -2.718 1.00 0.00 O ATOM 1526 CB PRO B 38 -11.000 -6.645 -1.192 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.247 -5.827 -1.303 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.592 -5.704 -2.779 1.00 0.00 C ATOM 0 HA PRO B 38 -9.393 -6.369 -2.652 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.224 -7.628 -0.778 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.290 -6.169 -0.516 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -13.064 -6.300 -0.758 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -12.098 -4.841 -0.862 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.399 -6.383 -3.057 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.924 -4.696 -3.027 1.00 0.00 H new ATOM 1536 N SER B 39 -11.302 -8.759 -3.666 1.00 0.00 N ATOM 1537 CA SER B 39 -11.289 -10.141 -4.124 1.00 0.00 C ATOM 1538 C SER B 39 -10.221 -10.287 -5.192 1.00 0.00 C ATOM 1539 O SER B 39 -9.431 -11.233 -5.175 1.00 0.00 O ATOM 1540 CB SER B 39 -12.660 -10.523 -4.690 1.00 0.00 C ATOM 1541 OG SER B 39 -13.656 -10.310 -3.696 1.00 0.00 O ATOM 0 H SER B 39 -12.149 -8.242 -3.902 1.00 0.00 H new ATOM 0 HA SER B 39 -11.069 -10.806 -3.289 1.00 0.00 H new ATOM 0 HB2 SER B 39 -12.880 -9.926 -5.575 1.00 0.00 H new ATOM 0 HB3 SER B 39 -12.659 -11.567 -5.002 1.00 0.00 H new ATOM 0 HG SER B 39 -14.535 -10.552 -4.056 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.196 -9.313 -6.104 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.219 -9.293 -7.173 1.00 0.00 C ATOM 1549 C GLN B 40 -8.036 -8.426 -6.785 1.00 0.00 C ATOM 1550 O GLN B 40 -7.314 -7.944 -7.651 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.836 -8.795 -8.489 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.367 -8.914 -8.443 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.962 -8.619 -9.810 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -11.860 -7.500 -10.313 1.00 0.00 O ATOM 1555 NE2 GLN B 40 -12.581 -9.569 -10.444 1.00 0.00 N ATOM 0 H GLN B 40 -10.848 -8.529 -6.116 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.875 -10.315 -7.332 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.551 -7.757 -8.662 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.445 -9.376 -9.324 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.651 -9.917 -8.124 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.770 -8.219 -7.706 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.663 -10.494 -10.023 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -12.985 -9.390 -11.363 1.00 0.00 H new ATOM 1564 N SER B 41 -7.817 -8.242 -5.477 1.00 0.00 N ATOM 1565 CA SER B 41 -6.690 -7.451 -5.026 1.00 0.00 C ATOM 1566 C SER B 41 -5.414 -8.019 -5.635 1.00 0.00 C ATOM 1567 O SER B 41 -4.464 -7.300 -5.932 1.00 0.00 O ATOM 1568 CB SER B 41 -6.609 -7.513 -3.494 1.00 0.00 C ATOM 1569 OG SER B 41 -5.385 -6.953 -3.039 1.00 0.00 O ATOM 0 H SER B 41 -8.399 -8.626 -4.733 1.00 0.00 H new ATOM 0 HA SER B 41 -6.812 -6.413 -5.336 1.00 0.00 H new ATOM 0 HB2 SER B 41 -7.448 -6.972 -3.057 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.689 -8.548 -3.161 1.00 0.00 H new ATOM 0 HG SER B 41 -4.752 -7.673 -2.835 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.449 -9.326 -5.824 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.359 -10.079 -6.418 1.00 0.00 C ATOM 1577 C ALA B 42 -4.274 -9.830 -7.928 1.00 0.00 C ATOM 1578 O ALA B 42 -3.214 -9.989 -8.529 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.613 -11.564 -6.174 1.00 0.00 C ATOM 0 H ALA B 42 -6.249 -9.903 -5.565 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.420 -9.761 -5.965 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.804 -12.148 -6.613 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.657 -11.754 -5.102 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.559 -11.852 -6.633 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.421 -9.483 -8.525 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.534 -9.254 -9.963 1.00 0.00 C ATOM 1587 C ASN B 43 -4.831 -7.992 -10.409 1.00 0.00 C ATOM 1588 O ASN B 43 -4.005 -8.018 -11.315 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.992 -9.126 -10.311 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.194 -9.178 -11.823 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -7.419 -8.146 -12.455 1.00 0.00 O ATOM 1592 ND2 ASN B 43 -7.124 -10.322 -12.444 1.00 0.00 N ATOM 0 H ASN B 43 -6.297 -9.354 -8.019 1.00 0.00 H new ATOM 0 HA ASN B 43 -5.063 -10.097 -10.469 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.556 -9.929 -9.836 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.383 -8.187 -9.919 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -7.256 -10.363 -13.455 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -6.937 -11.177 -11.919 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.160 -6.882 -9.766 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.536 -5.641 -10.102 1.00 0.00 C ATOM 1601 C LEU B 44 -3.127 -5.674 -9.538 1.00 0.00 C ATOM 1602 O LEU B 44 -2.210 -5.082 -10.079 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.399 -4.419 -9.705 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.535 -4.192 -8.208 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.452 -5.236 -7.595 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.188 -4.156 -7.513 1.00 0.00 C ATOM 0 H LEU B 44 -5.851 -6.829 -9.017 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.453 -5.515 -11.182 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.967 -3.525 -10.156 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.395 -4.542 -10.131 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.986 -3.211 -8.060 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.539 -5.060 -6.523 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.438 -5.169 -8.055 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -6.038 -6.230 -7.767 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.334 -3.992 -6.445 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.674 -5.104 -7.667 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.587 -3.346 -7.926 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.953 -6.459 -8.472 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.637 -6.663 -7.911 1.00 0.00 C ATOM 1620 C LEU B 45 -0.851 -7.358 -9.002 1.00 0.00 C ATOM 1621 O LEU B 45 0.329 -7.104 -9.228 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.727 -7.558 -6.668 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.425 -8.349 -6.471 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.732 -7.377 -6.256 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.557 -9.287 -5.263 1.00 0.00 C ATOM 0 H LEU B 45 -3.705 -6.954 -7.992 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.170 -5.728 -7.601 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.923 -6.946 -5.787 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.565 -8.248 -6.771 1.00 0.00 H new ATOM 0 HG LEU B 45 -0.230 -8.950 -7.359 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.657 -7.937 -6.116 1.00 0.00 H new ATOM 0 HD12 LEU B 45 0.829 -6.728 -7.127 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.538 -6.770 -5.371 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.371 -9.844 -5.131 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.758 -8.700 -4.367 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -1.377 -9.984 -5.432 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.577 -8.214 -9.708 1.00 0.00 N ATOM 1638 CA ALA B 46 -1.018 -8.936 -10.828 1.00 0.00 C ATOM 1639 C ALA B 46 -0.595 -7.902 -11.856 1.00 0.00 C ATOM 1640 O ALA B 46 0.511 -7.943 -12.385 1.00 0.00 O ATOM 1641 CB ALA B 46 -2.068 -9.891 -11.422 1.00 0.00 C ATOM 0 H ALA B 46 -2.558 -8.422 -9.519 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.165 -9.540 -10.517 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.635 -10.429 -12.265 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.384 -10.604 -10.660 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.930 -9.318 -11.762 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.487 -6.933 -12.070 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.236 -5.826 -12.974 1.00 0.00 C ATOM 1649 C GLU B 47 -0.036 -5.024 -12.484 1.00 0.00 C ATOM 1650 O GLU B 47 0.712 -4.462 -13.275 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.458 -4.893 -13.032 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.673 -5.607 -13.607 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.355 -6.233 -14.968 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -2.988 -5.496 -15.870 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.481 -7.442 -15.086 1.00 0.00 O ATOM 0 H GLU B 47 -2.401 -6.900 -11.618 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.039 -6.231 -13.967 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.688 -4.529 -12.031 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.224 -4.021 -13.642 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.003 -6.382 -12.916 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.497 -4.901 -13.712 1.00 0.00 H new ATOM 1662 N ALA B 48 0.112 -4.964 -11.161 1.00 0.00 N ATOM 1663 CA ALA B 48 1.182 -4.220 -10.532 1.00 0.00 C ATOM 1664 C ALA B 48 2.513 -4.892 -10.737 1.00 0.00 C ATOM 1665 O ALA B 48 3.475 -4.263 -11.140 1.00 0.00 O ATOM 1666 CB ALA B 48 0.910 -4.186 -9.042 1.00 0.00 C ATOM 0 H ALA B 48 -0.511 -5.432 -10.503 1.00 0.00 H new ATOM 0 HA ALA B 48 1.219 -3.223 -10.971 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.702 -3.630 -8.540 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.048 -3.699 -8.858 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.880 -5.204 -8.654 1.00 0.00 H new ATOM 1672 N LYS B 49 2.544 -6.181 -10.474 1.00 0.00 N ATOM 1673 CA LYS B 49 3.753 -6.949 -10.650 1.00 0.00 C ATOM 1674 C LYS B 49 4.132 -6.896 -12.122 1.00 0.00 C ATOM 1675 O LYS B 49 5.300 -6.766 -12.470 1.00 0.00 O ATOM 1676 CB LYS B 49 3.509 -8.371 -10.144 1.00 0.00 C ATOM 1677 CG LYS B 49 3.487 -8.386 -8.612 1.00 0.00 C ATOM 1678 CD LYS B 49 3.373 -9.836 -8.118 1.00 0.00 C ATOM 1679 CE LYS B 49 1.984 -10.403 -8.455 1.00 0.00 C ATOM 1680 NZ LYS B 49 1.431 -11.112 -7.267 1.00 0.00 N ATOM 0 H LYS B 49 1.744 -6.717 -10.137 1.00 0.00 H new ATOM 0 HA LYS B 49 4.587 -6.544 -10.076 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.563 -8.747 -10.533 1.00 0.00 H new ATOM 0 HB3 LYS B 49 4.291 -9.036 -10.511 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.394 -7.927 -8.220 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.647 -7.797 -8.244 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.146 -10.448 -8.582 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.539 -9.875 -7.041 1.00 0.00 H new ATOM 0 HE2 LYS B 49 1.314 -9.597 -8.754 1.00 0.00 H new ATOM 0 HE3 LYS B 49 2.055 -11.088 -9.299 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 0.400 -10.977 -7.231 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 1.645 -12.127 -7.338 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 1.861 -10.728 -6.402 1.00 0.00 H new ATOM 1694 N LYS B 50 3.101 -6.908 -12.966 1.00 0.00 N ATOM 1695 CA LYS B 50 3.263 -6.782 -14.411 1.00 0.00 C ATOM 1696 C LYS B 50 3.750 -5.386 -14.762 1.00 0.00 C ATOM 1697 O LYS B 50 4.570 -5.220 -15.653 1.00 0.00 O ATOM 1698 CB LYS B 50 1.930 -7.014 -15.110 1.00 0.00 C ATOM 1699 CG LYS B 50 1.552 -8.501 -15.079 1.00 0.00 C ATOM 1700 CD LYS B 50 0.130 -8.672 -15.634 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.402 -10.073 -15.310 1.00 0.00 C ATOM 1702 NZ LYS B 50 -1.883 -10.010 -15.141 1.00 0.00 N ATOM 0 H LYS B 50 2.131 -7.005 -12.666 1.00 0.00 H new ATOM 0 HA LYS B 50 3.990 -7.525 -14.739 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.152 -6.426 -14.624 1.00 0.00 H new ATOM 0 HB3 LYS B 50 1.991 -6.671 -16.143 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.259 -9.081 -15.672 1.00 0.00 H new ATOM 0 HG3 LYS B 50 1.605 -8.881 -14.059 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -0.529 -7.917 -15.205 1.00 0.00 H new ATOM 0 HD3 LYS B 50 0.132 -8.517 -16.713 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -0.145 -10.767 -16.111 1.00 0.00 H new ATOM 0 HE3 LYS B 50 0.064 -10.450 -14.400 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -2.166 -10.606 -14.337 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -2.170 -9.027 -14.961 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -2.346 -10.353 -16.007 1.00 0.00 H new ATOM 1716 N LEU B 51 3.223 -4.381 -14.057 1.00 0.00 N ATOM 1717 CA LEU B 51 3.620 -2.998 -14.310 1.00 0.00 C ATOM 1718 C LEU B 51 5.042 -2.803 -13.873 1.00 0.00 C ATOM 1719 O LEU B 51 5.846 -2.181 -14.566 1.00 0.00 O ATOM 1720 CB LEU B 51 2.709 -2.023 -13.557 1.00 0.00 C ATOM 1721 CG LEU B 51 1.826 -1.278 -14.554 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.701 -0.321 -15.380 1.00 0.00 C ATOM 1723 CD2 LEU B 51 1.105 -2.288 -15.471 1.00 0.00 C ATOM 0 H LEU B 51 2.530 -4.498 -13.317 1.00 0.00 H new ATOM 0 HA LEU B 51 3.529 -2.797 -15.377 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.091 -2.565 -12.842 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.309 -1.314 -12.987 1.00 0.00 H new ATOM 0 HG LEU B 51 1.070 -0.700 -14.023 1.00 0.00 H new ATOM 0 HD11 LEU B 51 2.078 0.216 -16.095 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.187 0.393 -14.715 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.459 -0.892 -15.916 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.476 -1.751 -16.181 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.843 -2.878 -16.014 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.486 -2.950 -14.866 1.00 0.00 H new ATOM 1735 N ASN B 52 5.349 -3.390 -12.736 1.00 0.00 N ATOM 1736 CA ASN B 52 6.694 -3.344 -12.215 1.00 0.00 C ATOM 1737 C ASN B 52 7.580 -4.017 -13.230 1.00 0.00 C ATOM 1738 O ASN B 52 8.675 -3.551 -13.537 1.00 0.00 O ATOM 1739 CB ASN B 52 6.762 -4.069 -10.877 1.00 0.00 C ATOM 1740 CG ASN B 52 8.210 -4.238 -10.431 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.710 -3.480 -9.601 1.00 0.00 O ATOM 1742 ND2 ASN B 52 8.915 -5.193 -10.950 1.00 0.00 N ATOM 0 H ASN B 52 4.685 -3.904 -12.157 1.00 0.00 H new ATOM 0 HA ASN B 52 7.016 -2.316 -12.046 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.207 -3.508 -10.125 1.00 0.00 H new ATOM 0 HB3 ASN B 52 6.286 -5.046 -10.962 1.00 0.00 H new ATOM 0 HD21 ASN B 52 9.888 -5.318 -10.671 1.00 0.00 H new ATOM 0 HD22 ASN B 52 8.497 -5.820 -11.638 1.00 0.00 H new ATOM 1749 N ASP B 53 7.046 -5.103 -13.779 1.00 0.00 N ATOM 1750 CA ASP B 53 7.744 -5.848 -14.817 1.00 0.00 C ATOM 1751 C ASP B 53 7.840 -4.993 -16.078 1.00 0.00 C ATOM 1752 O ASP B 53 8.835 -5.037 -16.804 1.00 0.00 O ATOM 1753 CB ASP B 53 7.006 -7.160 -15.131 1.00 0.00 C ATOM 1754 CG ASP B 53 7.083 -8.149 -13.958 1.00 0.00 C ATOM 1755 OD1 ASP B 53 7.942 -7.986 -13.101 1.00 0.00 O ATOM 1756 OD2 ASP B 53 6.274 -9.061 -13.935 1.00 0.00 O ATOM 0 H ASP B 53 6.135 -5.485 -13.523 1.00 0.00 H new ATOM 0 HA ASP B 53 8.745 -6.092 -14.463 1.00 0.00 H new ATOM 0 HB2 ASP B 53 5.962 -6.945 -15.358 1.00 0.00 H new ATOM 0 HB3 ASP B 53 7.438 -7.617 -16.021 1.00 0.00 H new ATOM 1761 N ALA B 54 6.784 -4.213 -16.317 1.00 0.00 N ATOM 1762 CA ALA B 54 6.709 -3.333 -17.473 1.00 0.00 C ATOM 1763 C ALA B 54 7.767 -2.238 -17.386 1.00 0.00 C ATOM 1764 O ALA B 54 8.376 -1.868 -18.390 1.00 0.00 O ATOM 1765 CB ALA B 54 5.314 -2.707 -17.537 1.00 0.00 C ATOM 0 H ALA B 54 5.962 -4.177 -15.714 1.00 0.00 H new ATOM 0 HA ALA B 54 6.894 -3.915 -18.376 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.251 -2.046 -18.401 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.566 -3.494 -17.627 1.00 0.00 H new ATOM 0 HB3 ALA B 54 5.130 -2.134 -16.628 1.00 0.00 H new ATOM 1771 N GLN B 55 7.979 -1.734 -16.170 1.00 0.00 N ATOM 1772 CA GLN B 55 8.965 -0.686 -15.932 1.00 0.00 C ATOM 1773 C GLN B 55 10.328 -1.278 -15.583 1.00 0.00 C ATOM 1774 O GLN B 55 11.319 -0.551 -15.480 1.00 0.00 O ATOM 1775 CB GLN B 55 8.481 0.187 -14.793 1.00 0.00 C ATOM 1776 CG GLN B 55 7.212 0.928 -15.208 1.00 0.00 C ATOM 1777 CD GLN B 55 6.377 1.222 -13.975 1.00 0.00 C ATOM 1778 OE1 GLN B 55 6.127 2.379 -13.647 1.00 0.00 O ATOM 1779 NE2 GLN B 55 5.935 0.222 -13.263 1.00 0.00 N ATOM 0 H GLN B 55 7.479 -2.037 -15.334 1.00 0.00 H new ATOM 0 HA GLN B 55 9.079 -0.096 -16.842 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.284 -0.425 -13.913 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.256 0.902 -14.517 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.469 1.857 -15.717 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.640 0.326 -15.914 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.147 -0.736 -13.542 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.377 0.398 -12.427 1.00 0.00 H new ATOM 1788 N ALA B 56 10.368 -2.599 -15.399 1.00 0.00 N ATOM 1789 CA ALA B 56 11.617 -3.284 -15.056 1.00 0.00 C ATOM 1790 C ALA B 56 12.612 -3.210 -16.201 1.00 0.00 C ATOM 1791 O ALA B 56 12.249 -2.879 -17.333 1.00 0.00 O ATOM 1792 CB ALA B 56 11.355 -4.753 -14.725 1.00 0.00 C ATOM 0 H ALA B 56 9.557 -3.212 -15.481 1.00 0.00 H new ATOM 0 HA ALA B 56 12.034 -2.781 -14.184 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.296 -5.243 -14.473 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.673 -4.819 -13.877 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.909 -5.247 -15.588 1.00 0.00 H new