USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 819 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 111 TYR OH : rot 180:sc= -0.423 USER MOD Set 1.2: A 116 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.226) USER MOD Set 2.1: A 4 GLN :FLIP amide:sc= 0.628 F(o=-2.5,f=0.25) USER MOD Set 2.2: A 72 ASN : amide:sc= -0.383 K(o=0.25,f=-1.5) USER MOD Set 3.1: A 48 HIS : no HE2:sc= -5.18! C(o=-3.6!,f=-16!) USER MOD Set 3.2: A 52 TYR OH : rot 53:sc= 1.54 USER MOD Set 4.1: A 8 MET CE :methyl 154:sc= -0.221 (180deg=-0.593) USER MOD Set 4.2: A 73 TYR OH : rot 159:sc= 0.062 USER MOD Single : A 6 ASN : amide:sc= -0.0901 K(o=-0.09,f=-1.8!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -144:sc= 1.28 (180deg=-0.558) USER MOD Single : A 15 SER OG : rot 180:sc= -0.679! USER MOD Single : A 16 SER OG : rot -107:sc= 0.0243 USER MOD Single : A 23 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.2) USER MOD Single : A 24 ASN : amide:sc= -0.55 K(o=-0.55,f=-4.1!) USER MOD Single : A 25 TYR OH : rot -15:sc= -0.907 USER MOD Single : A 28 TYR OH : rot 156:sc= 0.453 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.283 K(o=-0.28,f=-3.3!) USER MOD Single : A 47 THR OG1 : rot 83:sc= 1.04 USER MOD Single : A 50 ASN : amide:sc= 0.899 K(o=0.9,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -117:sc=-0.00971 (180deg=-0.321) USER MOD Single : A 54 GLN : amide:sc= -0.109 K(o=-0.11,f=-2.4!) USER MOD Single : A 56 LYS NZ :NH3+ -142:sc= -0.186 (180deg=-0.644) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.17 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0277 USER MOD Single : A 71 ASN :FLIP amide:sc= -0.0713 F(o=-0.66,f=-0.071) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 72:sc= 0.546 USER MOD Single : A 79 ASN : amide:sc= -0.0591 K(o=-0.059,f=-0.96) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.0878 F(o=-0.69,f=-0.088) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -120:sc= 0.0413 USER MOD Single : A 86 SER OG : rot 180:sc= -0.0567 USER MOD Single : A 88 ASN : amide:sc= -0.318 K(o=-0.32,f=-2.4!) USER MOD Single : A 89 ASN : amide:sc= -2.95! C(o=-3!,f=-19!) USER MOD Single : A 97 ASN : amide:sc= -0.151 K(o=-0.15,f=-2.5!) USER MOD Single : A 101 ASN : amide:sc= -0.142 K(o=-0.14,f=-2.4!) USER MOD Single : A 107 SER OG : rot -56:sc= 1.24 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN :FLIP amide:sc= -0.757 F(o=-1.8!,f=-0.76) USER MOD Single : A 113 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.0962) USER MOD Single : A 115 HIS : no HD1:sc= -0.0986 X(o=-0.099,f=-0.024) USER MOD Single : A 117 ASN : amide:sc= -1.41! C(o=-1.4!,f=-5.5!) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= -0.811 X(o=-0.81,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 2 84.867 -5.642 -4.359 1.00 0.00 N ATOM 14 CA LEU A 2 85.067 -4.327 -3.683 1.00 0.00 C ATOM 15 C LEU A 2 84.475 -4.360 -2.272 1.00 0.00 C ATOM 16 O LEU A 2 84.504 -3.381 -1.553 1.00 0.00 O ATOM 17 CB LEU A 2 84.325 -3.313 -4.554 1.00 0.00 C ATOM 18 CG LEU A 2 85.235 -2.116 -4.831 1.00 0.00 C ATOM 19 CD1 LEU A 2 85.956 -2.322 -6.165 1.00 0.00 C ATOM 20 CD2 LEU A 2 84.392 -0.841 -4.900 1.00 0.00 C ATOM 0 HA LEU A 2 86.122 -4.076 -3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 2 84.021 -3.777 -5.492 1.00 0.00 H new ATOM 0 HB3 LEU A 2 83.415 -2.983 -4.052 1.00 0.00 H new ATOM 0 HG LEU A 2 85.969 -2.024 -4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 2 86.605 -1.469 -6.363 1.00 0.00 H new ATOM 0 HD12 LEU A 2 86.556 -3.231 -6.118 1.00 0.00 H new ATOM 0 HD13 LEU A 2 85.222 -2.413 -6.965 1.00 0.00 H new ATOM 0 HD21 LEU A 2 85.040 0.013 -5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 2 83.658 -0.933 -5.701 1.00 0.00 H new ATOM 0 HD23 LEU A 2 83.877 -0.694 -3.951 1.00 0.00 H new ATOM 32 N TRP A 3 83.938 -5.479 -1.866 1.00 0.00 N ATOM 33 CA TRP A 3 83.349 -5.566 -0.499 1.00 0.00 C ATOM 34 C TRP A 3 84.391 -6.101 0.488 1.00 0.00 C ATOM 35 O TRP A 3 84.395 -5.752 1.652 1.00 0.00 O ATOM 36 CB TRP A 3 82.163 -6.528 -0.630 1.00 0.00 C ATOM 37 CG TRP A 3 82.645 -7.944 -0.633 1.00 0.00 C ATOM 38 CD1 TRP A 3 83.233 -8.565 -1.683 1.00 0.00 C ATOM 39 CD2 TRP A 3 82.592 -8.924 0.442 1.00 0.00 C ATOM 40 NE1 TRP A 3 83.541 -9.863 -1.319 1.00 0.00 N ATOM 41 CE2 TRP A 3 83.166 -10.132 -0.019 1.00 0.00 C ATOM 42 CE3 TRP A 3 82.105 -8.883 1.761 1.00 0.00 C ATOM 43 CZ2 TRP A 3 83.254 -11.259 0.799 1.00 0.00 C ATOM 44 CZ3 TRP A 3 82.192 -10.017 2.587 1.00 0.00 C ATOM 45 CH2 TRP A 3 82.766 -11.201 2.106 1.00 0.00 C ATOM 0 H TRP A 3 83.882 -6.334 -2.420 1.00 0.00 H new ATOM 0 HA TRP A 3 83.030 -4.595 -0.121 1.00 0.00 H new ATOM 0 HB2 TRP A 3 81.468 -6.374 0.195 1.00 0.00 H new ATOM 0 HB3 TRP A 3 81.616 -6.320 -1.550 1.00 0.00 H new ATOM 0 HD1 TRP A 3 83.429 -8.119 -2.647 1.00 0.00 H new ATOM 0 HE1 TRP A 3 83.991 -10.539 -1.936 1.00 0.00 H new ATOM 0 HE3 TRP A 3 81.662 -7.975 2.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 83.697 -12.170 0.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 81.814 -9.975 3.598 1.00 0.00 H new ATOM 0 HH2 TRP A 3 82.831 -12.069 2.746 1.00 0.00 H new ATOM 56 N GLN A 4 85.279 -6.943 0.032 1.00 0.00 N ATOM 57 CA GLN A 4 86.322 -7.491 0.944 1.00 0.00 C ATOM 58 C GLN A 4 87.115 -6.344 1.572 1.00 0.00 C ATOM 59 O GLN A 4 87.598 -6.440 2.682 1.00 0.00 O ATOM 60 CB GLN A 4 87.229 -8.339 0.050 1.00 0.00 C ATOM 61 CG GLN A 4 86.422 -9.486 -0.565 1.00 0.00 C ATOM 62 CD GLN A 4 87.331 -10.701 -0.759 1.00 0.00 C ATOM 63 OE1 GLN A 4 87.564 -11.140 -1.966 1.00 0.00 O flip ATOM 64 NE2 GLN A 4 87.834 -11.257 0.197 1.00 0.00 N flip ATOM 0 H GLN A 4 85.327 -7.274 -0.932 1.00 0.00 H new ATOM 0 HA GLN A 4 85.895 -8.076 1.759 1.00 0.00 H new ATOM 0 HB2 GLN A 4 87.659 -7.721 -0.738 1.00 0.00 H new ATOM 0 HB3 GLN A 4 88.060 -8.738 0.632 1.00 0.00 H new ATOM 0 HG2 GLN A 4 85.585 -9.744 0.083 1.00 0.00 H new ATOM 0 HG3 GLN A 4 86.001 -9.177 -1.522 1.00 0.00 H new ATOM 0 HE21 GLN A 4 87.652 -10.914 1.140 1.00 0.00 H new ATOM 0 HE22 GLN A 4 88.438 -12.067 0.056 1.00 0.00 H new ATOM 73 N PHE A 5 87.248 -5.256 0.864 1.00 0.00 N ATOM 74 CA PHE A 5 88.007 -4.095 1.411 1.00 0.00 C ATOM 75 C PHE A 5 87.292 -3.532 2.642 1.00 0.00 C ATOM 76 O PHE A 5 87.907 -3.241 3.649 1.00 0.00 O ATOM 77 CB PHE A 5 88.020 -3.069 0.277 1.00 0.00 C ATOM 78 CG PHE A 5 88.916 -1.912 0.647 1.00 0.00 C ATOM 79 CD1 PHE A 5 90.123 -2.144 1.320 1.00 0.00 C ATOM 80 CD2 PHE A 5 88.542 -0.605 0.313 1.00 0.00 C ATOM 81 CE1 PHE A 5 90.954 -1.069 1.658 1.00 0.00 C ATOM 82 CE2 PHE A 5 89.372 0.470 0.651 1.00 0.00 C ATOM 83 CZ PHE A 5 90.578 0.238 1.323 1.00 0.00 C ATOM 0 H PHE A 5 86.863 -5.120 -0.071 1.00 0.00 H new ATOM 0 HA PHE A 5 89.014 -4.366 1.728 1.00 0.00 H new ATOM 0 HB2 PHE A 5 88.373 -3.535 -0.643 1.00 0.00 H new ATOM 0 HB3 PHE A 5 87.008 -2.711 0.086 1.00 0.00 H new ATOM 0 HD1 PHE A 5 90.412 -3.152 1.578 1.00 0.00 H new ATOM 0 HD2 PHE A 5 87.612 -0.426 -0.206 1.00 0.00 H new ATOM 0 HE1 PHE A 5 91.884 -1.247 2.177 1.00 0.00 H new ATOM 0 HE2 PHE A 5 89.082 1.478 0.394 1.00 0.00 H new ATOM 0 HZ PHE A 5 91.219 1.067 1.583 1.00 0.00 H new ATOM 93 N ASN A 6 85.999 -3.378 2.570 1.00 0.00 N ATOM 94 CA ASN A 6 85.246 -2.835 3.738 1.00 0.00 C ATOM 95 C ASN A 6 85.395 -3.771 4.941 1.00 0.00 C ATOM 96 O ASN A 6 85.532 -3.334 6.067 1.00 0.00 O ATOM 97 CB ASN A 6 83.789 -2.780 3.280 1.00 0.00 C ATOM 98 CG ASN A 6 83.610 -1.648 2.268 1.00 0.00 C ATOM 99 OD1 ASN A 6 84.545 -0.933 1.966 1.00 0.00 O ATOM 100 ND2 ASN A 6 82.439 -1.456 1.725 1.00 0.00 N ATOM 0 H ASN A 6 85.430 -3.604 1.754 1.00 0.00 H new ATOM 0 HA ASN A 6 85.612 -1.856 4.048 1.00 0.00 H new ATOM 0 HB2 ASN A 6 83.503 -3.731 2.831 1.00 0.00 H new ATOM 0 HB3 ASN A 6 83.134 -2.622 4.137 1.00 0.00 H new ATOM 0 HD21 ASN A 6 82.308 -0.706 1.047 1.00 0.00 H new ATOM 0 HD22 ASN A 6 81.655 -2.056 1.979 1.00 0.00 H new ATOM 107 N GLY A 7 85.367 -5.055 4.712 1.00 0.00 N ATOM 108 CA GLY A 7 85.504 -6.019 5.840 1.00 0.00 C ATOM 109 C GLY A 7 86.825 -5.771 6.568 1.00 0.00 C ATOM 110 O GLY A 7 86.887 -5.773 7.782 1.00 0.00 O ATOM 0 H GLY A 7 85.255 -5.479 3.791 1.00 0.00 H new ATOM 0 HA2 GLY A 7 84.669 -5.906 6.532 1.00 0.00 H new ATOM 0 HA3 GLY A 7 85.471 -7.042 5.464 1.00 0.00 H new ATOM 114 N MET A 8 87.884 -5.554 5.837 1.00 0.00 N ATOM 115 CA MET A 8 89.201 -5.303 6.488 1.00 0.00 C ATOM 116 C MET A 8 89.114 -4.067 7.385 1.00 0.00 C ATOM 117 O MET A 8 89.720 -4.007 8.438 1.00 0.00 O ATOM 118 CB MET A 8 90.174 -5.062 5.333 1.00 0.00 C ATOM 119 CG MET A 8 90.487 -6.391 4.644 1.00 0.00 C ATOM 120 SD MET A 8 91.920 -6.184 3.558 1.00 0.00 S ATOM 121 CE MET A 8 92.186 -7.938 3.198 1.00 0.00 C ATOM 0 H MET A 8 87.894 -5.540 4.817 1.00 0.00 H new ATOM 0 HA MET A 8 89.518 -6.133 7.119 1.00 0.00 H new ATOM 0 HB2 MET A 8 89.740 -4.363 4.618 1.00 0.00 H new ATOM 0 HB3 MET A 8 91.092 -4.608 5.706 1.00 0.00 H new ATOM 0 HG2 MET A 8 90.690 -7.160 5.389 1.00 0.00 H new ATOM 0 HG3 MET A 8 89.625 -6.726 4.067 1.00 0.00 H new ATOM 0 HE1 MET A 8 92.685 -8.040 2.234 1.00 0.00 H new ATOM 0 HE2 MET A 8 92.808 -8.379 3.977 1.00 0.00 H new ATOM 0 HE3 MET A 8 91.226 -8.452 3.165 1.00 0.00 H new ATOM 131 N ILE A 9 88.363 -3.081 6.979 1.00 0.00 N ATOM 132 CA ILE A 9 88.235 -1.850 7.810 1.00 0.00 C ATOM 133 C ILE A 9 87.377 -2.138 9.045 1.00 0.00 C ATOM 134 O ILE A 9 87.467 -1.460 10.049 1.00 0.00 O ATOM 135 CB ILE A 9 87.549 -0.828 6.906 1.00 0.00 C ATOM 136 CG1 ILE A 9 88.306 -0.722 5.580 1.00 0.00 C ATOM 137 CG2 ILE A 9 87.541 0.538 7.595 1.00 0.00 C ATOM 138 CD1 ILE A 9 87.648 0.345 4.704 1.00 0.00 C ATOM 0 H ILE A 9 87.832 -3.074 6.108 1.00 0.00 H new ATOM 0 HA ILE A 9 89.200 -1.490 8.168 1.00 0.00 H new ATOM 0 HB ILE A 9 86.525 -1.148 6.714 1.00 0.00 H new ATOM 0 HG12 ILE A 9 89.349 -0.465 5.764 1.00 0.00 H new ATOM 0 HG13 ILE A 9 88.300 -1.684 5.067 1.00 0.00 H new ATOM 0 HG21 ILE A 9 87.051 1.268 6.950 1.00 0.00 H new ATOM 0 HG22 ILE A 9 87.000 0.466 8.538 1.00 0.00 H new ATOM 0 HG23 ILE A 9 88.566 0.854 7.788 1.00 0.00 H new ATOM 0 HD11 ILE A 9 88.186 0.422 3.759 1.00 0.00 H new ATOM 0 HD12 ILE A 9 86.612 0.068 4.510 1.00 0.00 H new ATOM 0 HD13 ILE A 9 87.677 1.306 5.218 1.00 0.00 H new ATOM 150 N LYS A 10 86.544 -3.141 8.977 1.00 0.00 N ATOM 151 CA LYS A 10 85.681 -3.474 10.145 1.00 0.00 C ATOM 152 C LYS A 10 86.491 -4.235 11.198 1.00 0.00 C ATOM 153 O LYS A 10 86.320 -4.045 12.385 1.00 0.00 O ATOM 154 CB LYS A 10 84.569 -4.358 9.580 1.00 0.00 C ATOM 155 CG LYS A 10 83.418 -3.479 9.088 1.00 0.00 C ATOM 156 CD LYS A 10 82.132 -4.304 9.035 1.00 0.00 C ATOM 157 CE LYS A 10 81.267 -3.825 7.868 1.00 0.00 C ATOM 158 NZ LYS A 10 80.097 -4.746 7.853 1.00 0.00 N ATOM 0 H LYS A 10 86.424 -3.744 8.163 1.00 0.00 H new ATOM 0 HA LYS A 10 85.283 -2.584 10.632 1.00 0.00 H new ATOM 0 HB2 LYS A 10 84.953 -4.965 8.760 1.00 0.00 H new ATOM 0 HB3 LYS A 10 84.213 -5.047 10.346 1.00 0.00 H new ATOM 0 HG2 LYS A 10 83.288 -2.626 9.754 1.00 0.00 H new ATOM 0 HG3 LYS A 10 83.648 -3.080 8.100 1.00 0.00 H new ATOM 0 HD2 LYS A 10 82.370 -5.361 8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 10 81.585 -4.205 9.972 1.00 0.00 H new ATOM 0 HE2 LYS A 10 80.953 -2.790 8.008 1.00 0.00 H new ATOM 0 HE3 LYS A 10 81.815 -3.868 6.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 79.456 -4.481 7.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 80.426 -5.723 7.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 79.591 -4.679 8.759 1.00 0.00 H new ATOM 172 N CYS A 11 87.378 -5.094 10.770 1.00 0.00 N ATOM 173 CA CYS A 11 88.201 -5.859 11.738 1.00 0.00 C ATOM 174 C CYS A 11 89.030 -4.896 12.581 1.00 0.00 C ATOM 175 O CYS A 11 89.038 -4.956 13.794 1.00 0.00 O ATOM 176 CB CYS A 11 89.113 -6.731 10.877 1.00 0.00 C ATOM 177 SG CYS A 11 90.132 -7.776 11.946 1.00 0.00 S ATOM 0 H CYS A 11 87.565 -5.296 9.788 1.00 0.00 H new ATOM 0 HA CYS A 11 87.597 -6.454 12.423 1.00 0.00 H new ATOM 0 HB2 CYS A 11 88.516 -7.350 10.207 1.00 0.00 H new ATOM 0 HB3 CYS A 11 89.748 -6.104 10.251 1.00 0.00 H new ATOM 182 N LYS A 12 89.724 -4.004 11.935 1.00 0.00 N ATOM 183 CA LYS A 12 90.558 -3.019 12.682 1.00 0.00 C ATOM 184 C LYS A 12 89.657 -2.026 13.419 1.00 0.00 C ATOM 185 O LYS A 12 89.926 -1.639 14.538 1.00 0.00 O ATOM 186 CB LYS A 12 91.382 -2.306 11.610 1.00 0.00 C ATOM 187 CG LYS A 12 92.375 -3.291 10.992 1.00 0.00 C ATOM 188 CD LYS A 12 93.730 -2.605 10.807 1.00 0.00 C ATOM 189 CE LYS A 12 94.780 -3.311 11.667 1.00 0.00 C ATOM 190 NZ LYS A 12 94.409 -2.978 13.071 1.00 0.00 N ATOM 0 H LYS A 12 89.751 -3.913 10.919 1.00 0.00 H new ATOM 0 HA LYS A 12 91.192 -3.492 13.432 1.00 0.00 H new ATOM 0 HB2 LYS A 12 90.725 -1.903 10.839 1.00 0.00 H new ATOM 0 HB3 LYS A 12 91.915 -1.462 12.047 1.00 0.00 H new ATOM 0 HG2 LYS A 12 92.483 -4.165 11.634 1.00 0.00 H new ATOM 0 HG3 LYS A 12 92.001 -3.645 10.031 1.00 0.00 H new ATOM 0 HD2 LYS A 12 94.024 -2.634 9.758 1.00 0.00 H new ATOM 0 HD3 LYS A 12 93.660 -1.555 11.089 1.00 0.00 H new ATOM 0 HE2 LYS A 12 94.769 -4.388 11.500 1.00 0.00 H new ATOM 0 HE3 LYS A 12 95.785 -2.962 11.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 95.272 -2.857 13.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 93.859 -2.096 13.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 93.837 -3.749 13.471 1.00 0.00 H new ATOM 204 N ILE A 13 88.584 -1.615 12.800 1.00 0.00 N ATOM 205 CA ILE A 13 87.663 -0.651 13.464 1.00 0.00 C ATOM 206 C ILE A 13 86.249 -1.234 13.527 1.00 0.00 C ATOM 207 O ILE A 13 85.418 -0.944 12.689 1.00 0.00 O ATOM 208 CB ILE A 13 87.693 0.595 12.580 1.00 0.00 C ATOM 209 CG1 ILE A 13 89.146 1.001 12.325 1.00 0.00 C ATOM 210 CG2 ILE A 13 86.962 1.739 13.284 1.00 0.00 C ATOM 211 CD1 ILE A 13 89.190 2.126 11.290 1.00 0.00 C ATOM 0 H ILE A 13 88.306 -1.906 11.863 1.00 0.00 H new ATOM 0 HA ILE A 13 87.961 -0.429 14.489 1.00 0.00 H new ATOM 0 HB ILE A 13 87.201 0.380 11.631 1.00 0.00 H new ATOM 0 HG12 ILE A 13 89.611 1.330 13.254 1.00 0.00 H new ATOM 0 HG13 ILE A 13 89.717 0.143 11.969 1.00 0.00 H new ATOM 0 HG21 ILE A 13 86.984 2.628 12.653 1.00 0.00 H new ATOM 0 HG22 ILE A 13 85.927 1.450 13.469 1.00 0.00 H new ATOM 0 HG23 ILE A 13 87.453 1.956 14.233 1.00 0.00 H new ATOM 0 HD11 ILE A 13 90.226 2.414 11.110 1.00 0.00 H new ATOM 0 HD12 ILE A 13 88.742 1.781 10.358 1.00 0.00 H new ATOM 0 HD13 ILE A 13 88.634 2.986 11.663 1.00 0.00 H new ATOM 223 N PRO A 14 86.027 -2.043 14.526 1.00 0.00 N ATOM 224 CA PRO A 14 84.702 -2.683 14.709 1.00 0.00 C ATOM 225 C PRO A 14 83.672 -1.658 15.192 1.00 0.00 C ATOM 226 O PRO A 14 82.488 -1.798 14.960 1.00 0.00 O ATOM 227 CB PRO A 14 84.962 -3.747 15.772 1.00 0.00 C ATOM 228 CG PRO A 14 86.159 -3.261 16.527 1.00 0.00 C ATOM 229 CD PRO A 14 86.981 -2.432 15.569 1.00 0.00 C ATOM 0 HA PRO A 14 84.296 -3.102 13.788 1.00 0.00 H new ATOM 0 HB2 PRO A 14 84.102 -3.864 16.431 1.00 0.00 H new ATOM 0 HB3 PRO A 14 85.151 -4.720 15.318 1.00 0.00 H new ATOM 0 HG2 PRO A 14 85.856 -2.666 17.389 1.00 0.00 H new ATOM 0 HG3 PRO A 14 86.741 -4.100 16.908 1.00 0.00 H new ATOM 0 HD2 PRO A 14 87.410 -1.560 16.063 1.00 0.00 H new ATOM 0 HD3 PRO A 14 87.811 -3.005 15.157 1.00 0.00 H new ATOM 237 N SER A 15 84.113 -0.626 15.858 1.00 0.00 N ATOM 238 CA SER A 15 83.157 0.408 16.350 1.00 0.00 C ATOM 239 C SER A 15 82.750 1.337 15.203 1.00 0.00 C ATOM 240 O SER A 15 81.581 1.509 14.915 1.00 0.00 O ATOM 241 CB SER A 15 83.926 1.181 17.419 1.00 0.00 C ATOM 242 OG SER A 15 84.726 2.177 16.795 1.00 0.00 O ATOM 0 H SER A 15 85.093 -0.454 16.083 1.00 0.00 H new ATOM 0 HA SER A 15 82.240 -0.030 16.745 1.00 0.00 H new ATOM 0 HB2 SER A 15 83.231 1.643 18.120 1.00 0.00 H new ATOM 0 HB3 SER A 15 84.555 0.501 17.994 1.00 0.00 H new ATOM 0 HG SER A 15 85.220 2.676 17.479 1.00 0.00 H new ATOM 248 N SER A 16 83.705 1.937 14.543 1.00 0.00 N ATOM 249 CA SER A 16 83.371 2.854 13.415 1.00 0.00 C ATOM 250 C SER A 16 83.165 2.052 12.126 1.00 0.00 C ATOM 251 O SER A 16 84.048 1.351 11.672 1.00 0.00 O ATOM 252 CB SER A 16 84.580 3.779 13.284 1.00 0.00 C ATOM 253 OG SER A 16 84.238 5.071 13.770 1.00 0.00 O ATOM 0 H SER A 16 84.701 1.832 14.736 1.00 0.00 H new ATOM 0 HA SER A 16 82.451 3.411 13.593 1.00 0.00 H new ATOM 0 HB2 SER A 16 85.422 3.377 13.847 1.00 0.00 H new ATOM 0 HB3 SER A 16 84.894 3.841 12.242 1.00 0.00 H new ATOM 0 HG SER A 16 84.140 5.689 13.016 1.00 0.00 H new ATOM 259 N GLU A 17 82.007 2.149 11.534 1.00 0.00 N ATOM 260 CA GLU A 17 81.746 1.391 10.277 1.00 0.00 C ATOM 261 C GLU A 17 82.428 2.079 9.091 1.00 0.00 C ATOM 262 O GLU A 17 82.623 3.278 9.096 1.00 0.00 O ATOM 263 CB GLU A 17 80.228 1.415 10.105 1.00 0.00 C ATOM 264 CG GLU A 17 79.574 0.564 11.197 1.00 0.00 C ATOM 265 CD GLU A 17 78.191 0.109 10.728 1.00 0.00 C ATOM 266 OE1 GLU A 17 78.114 -0.499 9.673 1.00 0.00 O ATOM 267 OE2 GLU A 17 77.232 0.376 11.433 1.00 0.00 O ATOM 0 H GLU A 17 81.230 2.720 11.866 1.00 0.00 H new ATOM 0 HA GLU A 17 82.136 0.374 10.323 1.00 0.00 H new ATOM 0 HB2 GLU A 17 79.862 2.440 10.161 1.00 0.00 H new ATOM 0 HB3 GLU A 17 79.957 1.033 9.121 1.00 0.00 H new ATOM 0 HG2 GLU A 17 80.197 -0.302 11.420 1.00 0.00 H new ATOM 0 HG3 GLU A 17 79.486 1.140 12.118 1.00 0.00 H new ATOM 274 N PRO A 18 82.766 1.287 8.111 1.00 0.00 N ATOM 275 CA PRO A 18 83.432 1.817 6.898 1.00 0.00 C ATOM 276 C PRO A 18 82.418 2.539 6.005 1.00 0.00 C ATOM 277 O PRO A 18 82.763 3.416 5.239 1.00 0.00 O ATOM 278 CB PRO A 18 83.963 0.566 6.206 1.00 0.00 C ATOM 279 CG PRO A 18 83.083 -0.548 6.681 1.00 0.00 C ATOM 280 CD PRO A 18 82.564 -0.164 8.044 1.00 0.00 C ATOM 0 HA PRO A 18 84.215 2.542 7.122 1.00 0.00 H new ATOM 0 HB2 PRO A 18 83.920 0.667 5.122 1.00 0.00 H new ATOM 0 HB3 PRO A 18 85.005 0.384 6.468 1.00 0.00 H new ATOM 0 HG2 PRO A 18 82.258 -0.707 5.987 1.00 0.00 H new ATOM 0 HG3 PRO A 18 83.641 -1.483 6.732 1.00 0.00 H new ATOM 0 HD2 PRO A 18 81.512 -0.425 8.157 1.00 0.00 H new ATOM 0 HD3 PRO A 18 83.107 -0.679 8.836 1.00 0.00 H new ATOM 288 N LEU A 19 81.168 2.173 6.095 1.00 0.00 N ATOM 289 CA LEU A 19 80.135 2.836 5.250 1.00 0.00 C ATOM 290 C LEU A 19 79.537 4.038 5.988 1.00 0.00 C ATOM 291 O LEU A 19 78.771 4.800 5.434 1.00 0.00 O ATOM 292 CB LEU A 19 79.071 1.763 5.013 1.00 0.00 C ATOM 293 CG LEU A 19 79.719 0.544 4.352 1.00 0.00 C ATOM 294 CD1 LEU A 19 78.853 -0.692 4.600 1.00 0.00 C ATOM 295 CD2 LEU A 19 79.841 0.786 2.846 1.00 0.00 C ATOM 0 H LEU A 19 80.818 1.444 6.717 1.00 0.00 H new ATOM 0 HA LEU A 19 80.546 3.215 4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 19 78.611 1.476 5.958 1.00 0.00 H new ATOM 0 HB3 LEU A 19 78.277 2.156 4.378 1.00 0.00 H new ATOM 0 HG LEU A 19 80.710 0.385 4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 19 79.315 -1.560 4.129 1.00 0.00 H new ATOM 0 HD12 LEU A 19 78.765 -0.865 5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 19 77.862 -0.533 4.175 1.00 0.00 H new ATOM 0 HD21 LEU A 19 80.302 -0.082 2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 19 78.850 0.945 2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 19 80.458 1.667 2.668 1.00 0.00 H new ATOM 307 N LEU A 20 79.881 4.212 7.235 1.00 0.00 N ATOM 308 CA LEU A 20 79.330 5.365 8.003 1.00 0.00 C ATOM 309 C LEU A 20 80.313 6.539 7.989 1.00 0.00 C ATOM 310 O LEU A 20 79.918 7.687 7.943 1.00 0.00 O ATOM 311 CB LEU A 20 79.139 4.841 9.428 1.00 0.00 C ATOM 312 CG LEU A 20 77.972 3.852 9.455 1.00 0.00 C ATOM 313 CD1 LEU A 20 77.629 3.500 10.904 1.00 0.00 C ATOM 314 CD2 LEU A 20 76.754 4.488 8.784 1.00 0.00 C ATOM 0 H LEU A 20 80.518 3.608 7.754 1.00 0.00 H new ATOM 0 HA LEU A 20 78.397 5.732 7.575 1.00 0.00 H new ATOM 0 HB2 LEU A 20 80.051 4.354 9.773 1.00 0.00 H new ATOM 0 HB3 LEU A 20 78.943 5.670 10.109 1.00 0.00 H new ATOM 0 HG LEU A 20 78.253 2.945 8.920 1.00 0.00 H new ATOM 0 HD11 LEU A 20 76.797 2.795 10.920 1.00 0.00 H new ATOM 0 HD12 LEU A 20 78.497 3.048 11.384 1.00 0.00 H new ATOM 0 HD13 LEU A 20 77.348 4.406 11.442 1.00 0.00 H new ATOM 0 HD21 LEU A 20 75.921 3.786 8.802 1.00 0.00 H new ATOM 0 HD22 LEU A 20 76.475 5.395 9.320 1.00 0.00 H new ATOM 0 HD23 LEU A 20 76.996 4.737 7.751 1.00 0.00 H new ATOM 326 N ASP A 21 81.589 6.266 8.032 1.00 0.00 N ATOM 327 CA ASP A 21 82.583 7.378 8.026 1.00 0.00 C ATOM 328 C ASP A 21 83.863 6.952 7.302 1.00 0.00 C ATOM 329 O ASP A 21 84.956 7.123 7.804 1.00 0.00 O ATOM 330 CB ASP A 21 82.870 7.658 9.501 1.00 0.00 C ATOM 331 CG ASP A 21 83.131 6.339 10.229 1.00 0.00 C ATOM 332 OD1 ASP A 21 82.235 5.511 10.254 1.00 0.00 O ATOM 333 OD2 ASP A 21 84.224 6.179 10.751 1.00 0.00 O ATOM 0 H ASP A 21 81.985 5.327 8.071 1.00 0.00 H new ATOM 0 HA ASP A 21 82.208 8.259 7.506 1.00 0.00 H new ATOM 0 HB2 ASP A 21 83.734 8.315 9.596 1.00 0.00 H new ATOM 0 HB3 ASP A 21 82.025 8.175 9.955 1.00 0.00 H new ATOM 338 N PHE A 22 83.739 6.405 6.123 1.00 0.00 N ATOM 339 CA PHE A 22 84.953 5.975 5.370 1.00 0.00 C ATOM 340 C PHE A 22 84.614 5.783 3.889 1.00 0.00 C ATOM 341 O PHE A 22 85.160 4.923 3.225 1.00 0.00 O ATOM 342 CB PHE A 22 85.363 4.646 6.004 1.00 0.00 C ATOM 343 CG PHE A 22 86.143 4.907 7.270 1.00 0.00 C ATOM 344 CD1 PHE A 22 87.424 5.468 7.202 1.00 0.00 C ATOM 345 CD2 PHE A 22 85.584 4.587 8.513 1.00 0.00 C ATOM 346 CE1 PHE A 22 88.145 5.709 8.378 1.00 0.00 C ATOM 347 CE2 PHE A 22 86.306 4.828 9.689 1.00 0.00 C ATOM 348 CZ PHE A 22 87.587 5.389 9.620 1.00 0.00 C ATOM 0 H PHE A 22 82.852 6.237 5.649 1.00 0.00 H new ATOM 0 HA PHE A 22 85.754 6.713 5.420 1.00 0.00 H new ATOM 0 HB2 PHE A 22 84.478 4.050 6.227 1.00 0.00 H new ATOM 0 HB3 PHE A 22 85.968 4.069 5.304 1.00 0.00 H new ATOM 0 HD1 PHE A 22 87.856 5.715 6.243 1.00 0.00 H new ATOM 0 HD2 PHE A 22 84.596 4.154 8.565 1.00 0.00 H new ATOM 0 HE1 PHE A 22 89.133 6.142 8.326 1.00 0.00 H new ATOM 0 HE2 PHE A 22 85.875 4.581 10.648 1.00 0.00 H new ATOM 0 HZ PHE A 22 88.144 5.575 10.526 1.00 0.00 H new ATOM 358 N ASN A 23 83.717 6.574 3.365 1.00 0.00 N ATOM 359 CA ASN A 23 83.347 6.433 1.928 1.00 0.00 C ATOM 360 C ASN A 23 83.360 7.799 1.238 1.00 0.00 C ATOM 361 O ASN A 23 82.978 8.799 1.812 1.00 0.00 O ATOM 362 CB ASN A 23 81.931 5.855 1.936 1.00 0.00 C ATOM 363 CG ASN A 23 81.334 5.948 0.530 1.00 0.00 C ATOM 364 OD1 ASN A 23 80.813 6.977 0.147 1.00 0.00 O ATOM 365 ND2 ASN A 23 81.387 4.911 -0.260 1.00 0.00 N ATOM 0 H ASN A 23 83.225 7.311 3.870 1.00 0.00 H new ATOM 0 HA ASN A 23 84.046 5.796 1.386 1.00 0.00 H new ATOM 0 HB2 ASN A 23 81.953 4.816 2.265 1.00 0.00 H new ATOM 0 HB3 ASN A 23 81.308 6.401 2.644 1.00 0.00 H new ATOM 0 HD21 ASN A 23 80.991 4.964 -1.199 1.00 0.00 H new ATOM 0 HD22 ASN A 23 81.824 4.047 0.061 1.00 0.00 H new ATOM 372 N ASN A 24 83.789 7.846 0.008 1.00 0.00 N ATOM 373 CA ASN A 24 83.818 9.145 -0.721 1.00 0.00 C ATOM 374 C ASN A 24 84.396 10.247 0.172 1.00 0.00 C ATOM 375 O ASN A 24 83.708 11.173 0.554 1.00 0.00 O ATOM 376 CB ASN A 24 82.356 9.437 -1.054 1.00 0.00 C ATOM 377 CG ASN A 24 82.275 10.662 -1.966 1.00 0.00 C ATOM 378 OD1 ASN A 24 83.247 11.366 -2.145 1.00 0.00 O ATOM 379 ND2 ASN A 24 81.146 10.946 -2.555 1.00 0.00 N ATOM 0 H ASN A 24 84.121 7.042 -0.524 1.00 0.00 H new ATOM 0 HA ASN A 24 84.443 9.105 -1.613 1.00 0.00 H new ATOM 0 HB2 ASN A 24 81.905 8.575 -1.545 1.00 0.00 H new ATOM 0 HB3 ASN A 24 81.792 9.614 -0.138 1.00 0.00 H new ATOM 0 HD21 ASN A 24 81.080 11.760 -3.166 1.00 0.00 H new ATOM 0 HD22 ASN A 24 80.329 10.354 -2.404 1.00 0.00 H new ATOM 386 N TYR A 25 85.654 10.156 0.504 1.00 0.00 N ATOM 387 CA TYR A 25 86.277 11.200 1.367 1.00 0.00 C ATOM 388 C TYR A 25 87.595 11.668 0.745 1.00 0.00 C ATOM 389 O TYR A 25 88.189 10.977 -0.058 1.00 0.00 O ATOM 390 CB TYR A 25 86.529 10.507 2.707 1.00 0.00 C ATOM 391 CG TYR A 25 87.339 11.416 3.602 1.00 0.00 C ATOM 392 CD1 TYR A 25 88.720 11.535 3.410 1.00 0.00 C ATOM 393 CD2 TYR A 25 86.709 12.136 4.623 1.00 0.00 C ATOM 394 CE1 TYR A 25 89.472 12.375 4.239 1.00 0.00 C ATOM 395 CE2 TYR A 25 87.461 12.977 5.453 1.00 0.00 C ATOM 396 CZ TYR A 25 88.843 13.096 5.261 1.00 0.00 C ATOM 397 OH TYR A 25 89.585 13.925 6.079 1.00 0.00 O ATOM 0 H TYR A 25 86.279 9.403 0.215 1.00 0.00 H new ATOM 0 HA TYR A 25 85.645 12.081 1.480 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.581 10.260 3.185 1.00 0.00 H new ATOM 0 HB3 TYR A 25 87.060 9.568 2.549 1.00 0.00 H new ATOM 0 HD1 TYR A 25 89.206 10.979 2.622 1.00 0.00 H new ATOM 0 HD2 TYR A 25 85.643 12.043 4.771 1.00 0.00 H new ATOM 0 HE1 TYR A 25 90.538 12.467 4.090 1.00 0.00 H new ATOM 0 HE2 TYR A 25 86.975 13.534 6.241 1.00 0.00 H new ATOM 0 HH TYR A 25 90.537 13.718 5.978 1.00 0.00 H new ATOM 407 N GLY A 26 88.058 12.835 1.103 1.00 0.00 N ATOM 408 CA GLY A 26 89.338 13.330 0.521 1.00 0.00 C ATOM 409 C GLY A 26 89.341 13.085 -0.987 1.00 0.00 C ATOM 410 O GLY A 26 88.322 12.793 -1.582 1.00 0.00 O ATOM 0 H GLY A 26 87.609 13.463 1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 26 89.456 14.394 0.727 1.00 0.00 H new ATOM 0 HA3 GLY A 26 90.182 12.819 0.985 1.00 0.00 H new ATOM 414 N CYS A 27 90.478 13.208 -1.612 1.00 0.00 N ATOM 415 CA CYS A 27 90.547 12.987 -3.086 1.00 0.00 C ATOM 416 C CYS A 27 91.038 11.569 -3.398 1.00 0.00 C ATOM 417 O CYS A 27 91.089 11.162 -4.542 1.00 0.00 O ATOM 418 CB CYS A 27 91.544 14.028 -3.597 1.00 0.00 C ATOM 419 SG CYS A 27 90.646 15.358 -4.436 1.00 0.00 S ATOM 0 H CYS A 27 91.363 13.452 -1.168 1.00 0.00 H new ATOM 0 HA CYS A 27 89.571 13.089 -3.560 1.00 0.00 H new ATOM 0 HB2 CYS A 27 92.123 14.432 -2.766 1.00 0.00 H new ATOM 0 HB3 CYS A 27 92.253 13.563 -4.283 1.00 0.00 H new ATOM 424 N TYR A 28 91.403 10.810 -2.399 1.00 0.00 N ATOM 425 CA TYR A 28 91.886 9.424 -2.661 1.00 0.00 C ATOM 426 C TYR A 28 90.950 8.398 -2.014 1.00 0.00 C ATOM 427 O TYR A 28 90.857 7.268 -2.452 1.00 0.00 O ATOM 428 CB TYR A 28 93.275 9.364 -2.029 1.00 0.00 C ATOM 429 CG TYR A 28 94.218 10.250 -2.806 1.00 0.00 C ATOM 430 CD1 TYR A 28 94.640 9.872 -4.086 1.00 0.00 C ATOM 431 CD2 TYR A 28 94.670 11.451 -2.247 1.00 0.00 C ATOM 432 CE1 TYR A 28 95.513 10.694 -4.807 1.00 0.00 C ATOM 433 CE2 TYR A 28 95.543 12.274 -2.969 1.00 0.00 C ATOM 434 CZ TYR A 28 95.964 11.896 -4.249 1.00 0.00 C ATOM 435 OH TYR A 28 96.826 12.707 -4.960 1.00 0.00 O ATOM 0 H TYR A 28 91.388 11.088 -1.418 1.00 0.00 H new ATOM 0 HA TYR A 28 91.913 9.192 -3.726 1.00 0.00 H new ATOM 0 HB2 TYR A 28 93.228 9.688 -0.989 1.00 0.00 H new ATOM 0 HB3 TYR A 28 93.642 8.338 -2.027 1.00 0.00 H new ATOM 0 HD1 TYR A 28 94.292 8.945 -4.517 1.00 0.00 H new ATOM 0 HD2 TYR A 28 94.346 11.743 -1.259 1.00 0.00 H new ATOM 0 HE1 TYR A 28 95.839 10.401 -5.794 1.00 0.00 H new ATOM 0 HE2 TYR A 28 95.892 13.201 -2.538 1.00 0.00 H new ATOM 0 HH TYR A 28 96.747 13.629 -4.639 1.00 0.00 H new ATOM 445 N CYS A 29 90.257 8.777 -0.974 1.00 0.00 N ATOM 446 CA CYS A 29 89.332 7.816 -0.307 1.00 0.00 C ATOM 447 C CYS A 29 87.977 7.794 -1.019 1.00 0.00 C ATOM 448 O CYS A 29 87.015 8.378 -0.561 1.00 0.00 O ATOM 449 CB CYS A 29 89.178 8.336 1.122 1.00 0.00 C ATOM 450 SG CYS A 29 90.803 8.400 1.915 1.00 0.00 S ATOM 0 H CYS A 29 90.291 9.708 -0.558 1.00 0.00 H new ATOM 0 HA CYS A 29 89.716 6.796 -0.331 1.00 0.00 H new ATOM 0 HB2 CYS A 29 88.726 9.328 1.113 1.00 0.00 H new ATOM 0 HB3 CYS A 29 88.510 7.686 1.688 1.00 0.00 H new ATOM 455 N GLY A 30 87.894 7.121 -2.134 1.00 0.00 N ATOM 456 CA GLY A 30 86.601 7.059 -2.872 1.00 0.00 C ATOM 457 C GLY A 30 86.843 6.523 -4.285 1.00 0.00 C ATOM 458 O GLY A 30 87.929 6.093 -4.619 1.00 0.00 O ATOM 0 H GLY A 30 88.665 6.612 -2.565 1.00 0.00 H new ATOM 0 HA2 GLY A 30 85.899 6.415 -2.343 1.00 0.00 H new ATOM 0 HA3 GLY A 30 86.150 8.050 -2.920 1.00 0.00 H new ATOM 506 N GLY A 35 94.123 14.259 -6.686 1.00 0.00 N ATOM 507 CA GLY A 35 94.950 15.482 -6.500 1.00 0.00 C ATOM 508 C GLY A 35 95.393 15.591 -5.040 1.00 0.00 C ATOM 509 O GLY A 35 95.222 14.677 -4.257 1.00 0.00 O ATOM 0 HA2 GLY A 35 95.822 15.445 -7.152 1.00 0.00 H new ATOM 0 HA3 GLY A 35 94.378 16.366 -6.783 1.00 0.00 H new ATOM 513 N THR A 36 95.965 16.704 -4.672 1.00 0.00 N ATOM 514 CA THR A 36 96.430 16.884 -3.265 1.00 0.00 C ATOM 515 C THR A 36 95.404 16.312 -2.279 1.00 0.00 C ATOM 516 O THR A 36 94.221 16.559 -2.402 1.00 0.00 O ATOM 517 CB THR A 36 96.561 18.400 -3.087 1.00 0.00 C ATOM 518 OG1 THR A 36 97.767 18.844 -3.692 1.00 0.00 O ATOM 519 CG2 THR A 36 96.576 18.751 -1.597 1.00 0.00 C ATOM 0 H THR A 36 96.132 17.501 -5.287 1.00 0.00 H new ATOM 0 HA THR A 36 97.368 16.364 -3.073 1.00 0.00 H new ATOM 0 HB THR A 36 95.711 18.892 -3.561 1.00 0.00 H new ATOM 0 HG1 THR A 36 97.851 19.814 -3.580 1.00 0.00 H new ATOM 0 HG21 THR A 36 96.669 19.830 -1.478 1.00 0.00 H new ATOM 0 HG22 THR A 36 95.648 18.414 -1.134 1.00 0.00 H new ATOM 0 HG23 THR A 36 97.421 18.259 -1.116 1.00 0.00 H new ATOM 527 N PRO A 37 95.902 15.574 -1.322 1.00 0.00 N ATOM 528 CA PRO A 37 95.026 14.967 -0.291 1.00 0.00 C ATOM 529 C PRO A 37 94.532 16.045 0.680 1.00 0.00 C ATOM 530 O PRO A 37 94.933 17.190 0.602 1.00 0.00 O ATOM 531 CB PRO A 37 95.943 13.973 0.416 1.00 0.00 C ATOM 532 CG PRO A 37 97.327 14.495 0.193 1.00 0.00 C ATOM 533 CD PRO A 37 97.316 15.238 -1.117 1.00 0.00 C ATOM 0 HA PRO A 37 94.135 14.494 -0.703 1.00 0.00 H new ATOM 0 HB2 PRO A 37 95.712 13.910 1.479 1.00 0.00 H new ATOM 0 HB3 PRO A 37 95.829 12.970 0.005 1.00 0.00 H new ATOM 0 HG2 PRO A 37 97.625 15.155 1.007 1.00 0.00 H new ATOM 0 HG3 PRO A 37 98.047 13.677 0.166 1.00 0.00 H new ATOM 0 HD2 PRO A 37 97.937 16.133 -1.074 1.00 0.00 H new ATOM 0 HD3 PRO A 37 97.702 14.621 -1.929 1.00 0.00 H new ATOM 541 N VAL A 38 93.665 15.695 1.591 1.00 0.00 N ATOM 542 CA VAL A 38 93.152 16.714 2.555 1.00 0.00 C ATOM 543 C VAL A 38 93.526 16.340 3.993 1.00 0.00 C ATOM 544 O VAL A 38 93.253 17.073 4.922 1.00 0.00 O ATOM 545 CB VAL A 38 91.633 16.700 2.378 1.00 0.00 C ATOM 546 CG1 VAL A 38 91.288 16.897 0.901 1.00 0.00 C ATOM 547 CG2 VAL A 38 91.076 15.358 2.858 1.00 0.00 C ATOM 0 H VAL A 38 93.291 14.754 1.710 1.00 0.00 H new ATOM 0 HA VAL A 38 93.579 17.699 2.368 1.00 0.00 H new ATOM 0 HB VAL A 38 91.192 17.507 2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 38 90.205 16.887 0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 38 91.684 17.853 0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 38 91.729 16.091 0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 38 89.993 15.347 2.732 1.00 0.00 H new ATOM 0 HG22 VAL A 38 91.517 14.551 2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 38 91.320 15.218 3.911 1.00 0.00 H new ATOM 557 N ASP A 39 94.147 15.210 4.189 1.00 0.00 N ATOM 558 CA ASP A 39 94.531 14.808 5.574 1.00 0.00 C ATOM 559 C ASP A 39 95.346 13.513 5.549 1.00 0.00 C ATOM 560 O ASP A 39 95.636 12.971 4.501 1.00 0.00 O ATOM 561 CB ASP A 39 93.204 14.589 6.302 1.00 0.00 C ATOM 562 CG ASP A 39 93.239 15.302 7.655 1.00 0.00 C ATOM 563 OD1 ASP A 39 94.166 16.063 7.878 1.00 0.00 O ATOM 564 OD2 ASP A 39 92.338 15.075 8.446 1.00 0.00 O ATOM 0 H ASP A 39 94.405 14.550 3.455 1.00 0.00 H new ATOM 0 HA ASP A 39 95.150 15.560 6.063 1.00 0.00 H new ATOM 0 HB2 ASP A 39 92.380 14.970 5.700 1.00 0.00 H new ATOM 0 HB3 ASP A 39 93.028 13.523 6.445 1.00 0.00 H new ATOM 569 N ASP A 40 95.715 13.013 6.697 1.00 0.00 N ATOM 570 CA ASP A 40 96.509 11.752 6.743 1.00 0.00 C ATOM 571 C ASP A 40 95.683 10.591 6.185 1.00 0.00 C ATOM 572 O ASP A 40 96.137 9.842 5.342 1.00 0.00 O ATOM 573 CB ASP A 40 96.820 11.532 8.224 1.00 0.00 C ATOM 574 CG ASP A 40 97.918 10.477 8.364 1.00 0.00 C ATOM 575 OD1 ASP A 40 98.003 9.619 7.501 1.00 0.00 O ATOM 576 OD2 ASP A 40 98.657 10.545 9.333 1.00 0.00 O ATOM 0 H ASP A 40 95.501 13.424 7.606 1.00 0.00 H new ATOM 0 HA ASP A 40 97.418 11.811 6.144 1.00 0.00 H new ATOM 0 HB2 ASP A 40 97.140 12.468 8.682 1.00 0.00 H new ATOM 0 HB3 ASP A 40 95.922 11.210 8.751 1.00 0.00 H new ATOM 581 N LEU A 41 94.470 10.434 6.645 1.00 0.00 N ATOM 582 CA LEU A 41 93.621 9.321 6.130 1.00 0.00 C ATOM 583 C LEU A 41 93.578 9.371 4.602 1.00 0.00 C ATOM 584 O LEU A 41 93.643 8.357 3.935 1.00 0.00 O ATOM 585 CB LEU A 41 92.231 9.568 6.721 1.00 0.00 C ATOM 586 CG LEU A 41 91.283 8.441 6.301 1.00 0.00 C ATOM 587 CD1 LEU A 41 91.353 7.301 7.319 1.00 0.00 C ATOM 588 CD2 LEU A 41 89.851 8.974 6.242 1.00 0.00 C ATOM 0 H LEU A 41 94.032 11.025 7.352 1.00 0.00 H new ATOM 0 HA LEU A 41 94.004 8.340 6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 41 92.291 9.619 7.808 1.00 0.00 H new ATOM 0 HB3 LEU A 41 91.845 10.528 6.378 1.00 0.00 H new ATOM 0 HG LEU A 41 91.579 8.071 5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 41 90.677 6.501 7.017 1.00 0.00 H new ATOM 0 HD12 LEU A 41 92.372 6.917 7.366 1.00 0.00 H new ATOM 0 HD13 LEU A 41 91.060 7.672 8.301 1.00 0.00 H new ATOM 0 HD21 LEU A 41 89.176 8.172 5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 41 89.560 9.345 7.225 1.00 0.00 H new ATOM 0 HD23 LEU A 41 89.794 9.785 5.516 1.00 0.00 H new ATOM 600 N ASP A 42 93.478 10.547 4.040 1.00 0.00 N ATOM 601 CA ASP A 42 93.444 10.660 2.555 1.00 0.00 C ATOM 602 C ASP A 42 94.714 10.046 1.963 1.00 0.00 C ATOM 603 O ASP A 42 94.690 9.434 0.914 1.00 0.00 O ATOM 604 CB ASP A 42 93.384 12.160 2.270 1.00 0.00 C ATOM 605 CG ASP A 42 92.547 12.409 1.013 1.00 0.00 C ATOM 606 OD1 ASP A 42 92.171 11.439 0.374 1.00 0.00 O ATOM 607 OD2 ASP A 42 92.298 13.564 0.709 1.00 0.00 O ATOM 0 H ASP A 42 93.419 11.431 4.545 1.00 0.00 H new ATOM 0 HA ASP A 42 92.597 10.135 2.114 1.00 0.00 H new ATOM 0 HB2 ASP A 42 92.948 12.685 3.120 1.00 0.00 H new ATOM 0 HB3 ASP A 42 94.391 12.555 2.134 1.00 0.00 H new ATOM 612 N ARG A 43 95.821 10.189 2.640 1.00 0.00 N ATOM 613 CA ARG A 43 97.085 9.591 2.119 1.00 0.00 C ATOM 614 C ARG A 43 96.926 8.078 2.082 1.00 0.00 C ATOM 615 O ARG A 43 97.350 7.410 1.161 1.00 0.00 O ATOM 616 CB ARG A 43 98.186 9.939 3.124 1.00 0.00 C ATOM 617 CG ARG A 43 98.012 11.357 3.671 1.00 0.00 C ATOM 618 CD ARG A 43 99.304 11.783 4.374 1.00 0.00 C ATOM 619 NE ARG A 43 99.657 10.644 5.254 1.00 0.00 N ATOM 620 CZ ARG A 43 100.743 10.685 5.978 1.00 0.00 C ATOM 621 NH1 ARG A 43 100.892 11.617 6.878 1.00 0.00 N ATOM 622 NH2 ARG A 43 101.680 9.794 5.798 1.00 0.00 N ATOM 0 H ARG A 43 95.906 10.690 3.525 1.00 0.00 H new ATOM 0 HA ARG A 43 97.321 9.963 1.122 1.00 0.00 H new ATOM 0 HB2 ARG A 43 98.169 9.225 3.947 1.00 0.00 H new ATOM 0 HB3 ARG A 43 99.161 9.849 2.644 1.00 0.00 H new ATOM 0 HG2 ARG A 43 97.780 12.047 2.860 1.00 0.00 H new ATOM 0 HG3 ARG A 43 97.175 11.391 4.369 1.00 0.00 H new ATOM 0 HD2 ARG A 43 100.097 11.985 3.654 1.00 0.00 H new ATOM 0 HD3 ARG A 43 99.157 12.696 4.951 1.00 0.00 H new ATOM 0 HE ARG A 43 99.050 9.825 5.294 1.00 0.00 H new ATOM 0 HH11 ARG A 43 100.160 12.314 7.016 1.00 0.00 H new ATOM 0 HH12 ARG A 43 101.740 11.649 7.443 1.00 0.00 H new ATOM 0 HH21 ARG A 43 101.563 9.067 5.092 1.00 0.00 H new ATOM 0 HH22 ARG A 43 102.529 9.825 6.363 1.00 0.00 H new ATOM 636 N CYS A 44 96.311 7.540 3.097 1.00 0.00 N ATOM 637 CA CYS A 44 96.111 6.077 3.157 1.00 0.00 C ATOM 638 C CYS A 44 95.481 5.606 1.851 1.00 0.00 C ATOM 639 O CYS A 44 95.854 4.597 1.286 1.00 0.00 O ATOM 640 CB CYS A 44 95.149 5.854 4.326 1.00 0.00 C ATOM 641 SG CYS A 44 95.802 6.642 5.821 1.00 0.00 S ATOM 0 H CYS A 44 95.938 8.060 3.891 1.00 0.00 H new ATOM 0 HA CYS A 44 97.042 5.527 3.294 1.00 0.00 H new ATOM 0 HB2 CYS A 44 94.169 6.266 4.086 1.00 0.00 H new ATOM 0 HB3 CYS A 44 95.012 4.786 4.497 1.00 0.00 H new ATOM 646 N CYS A 45 94.524 6.349 1.369 1.00 0.00 N ATOM 647 CA CYS A 45 93.851 5.976 0.094 1.00 0.00 C ATOM 648 C CYS A 45 94.778 6.262 -1.090 1.00 0.00 C ATOM 649 O CYS A 45 94.953 5.439 -1.966 1.00 0.00 O ATOM 650 CB CYS A 45 92.605 6.856 0.034 1.00 0.00 C ATOM 651 SG CYS A 45 91.613 6.591 1.525 1.00 0.00 S ATOM 0 H CYS A 45 94.178 7.203 1.806 1.00 0.00 H new ATOM 0 HA CYS A 45 93.599 4.917 0.049 1.00 0.00 H new ATOM 0 HB2 CYS A 45 92.890 7.905 -0.045 1.00 0.00 H new ATOM 0 HB3 CYS A 45 92.019 6.617 -0.854 1.00 0.00 H new ATOM 656 N GLN A 46 95.383 7.419 -1.120 1.00 0.00 N ATOM 657 CA GLN A 46 96.305 7.743 -2.242 1.00 0.00 C ATOM 658 C GLN A 46 97.300 6.598 -2.417 1.00 0.00 C ATOM 659 O GLN A 46 97.660 6.230 -3.518 1.00 0.00 O ATOM 660 CB GLN A 46 97.024 9.020 -1.809 1.00 0.00 C ATOM 661 CG GLN A 46 97.944 9.493 -2.935 1.00 0.00 C ATOM 662 CD GLN A 46 99.199 10.121 -2.340 1.00 0.00 C ATOM 663 OE1 GLN A 46 99.396 10.099 -1.141 1.00 0.00 O ATOM 664 NE2 GLN A 46 100.060 10.683 -3.135 1.00 0.00 N ATOM 0 H GLN A 46 95.278 8.151 -0.417 1.00 0.00 H new ATOM 0 HA GLN A 46 95.788 7.879 -3.192 1.00 0.00 H new ATOM 0 HB2 GLN A 46 96.297 9.796 -1.569 1.00 0.00 H new ATOM 0 HB3 GLN A 46 97.604 8.835 -0.905 1.00 0.00 H new ATOM 0 HG2 GLN A 46 98.214 8.653 -3.575 1.00 0.00 H new ATOM 0 HG3 GLN A 46 97.425 10.218 -3.562 1.00 0.00 H new ATOM 0 HE21 GLN A 46 99.891 10.699 -4.141 1.00 0.00 H new ATOM 0 HE22 GLN A 46 100.905 11.108 -2.753 1.00 0.00 H new ATOM 673 N THR A 47 97.738 6.029 -1.330 1.00 0.00 N ATOM 674 CA THR A 47 98.698 4.901 -1.410 1.00 0.00 C ATOM 675 C THR A 47 97.984 3.649 -1.917 1.00 0.00 C ATOM 676 O THR A 47 98.566 2.812 -2.578 1.00 0.00 O ATOM 677 CB THR A 47 99.190 4.694 0.023 1.00 0.00 C ATOM 678 OG1 THR A 47 99.637 5.935 0.550 1.00 0.00 O ATOM 679 CG2 THR A 47 100.341 3.687 0.029 1.00 0.00 C ATOM 0 H THR A 47 97.469 6.301 -0.384 1.00 0.00 H new ATOM 0 HA THR A 47 99.522 5.103 -2.095 1.00 0.00 H new ATOM 0 HB THR A 47 98.375 4.311 0.637 1.00 0.00 H new ATOM 0 HG1 THR A 47 98.869 6.445 0.882 1.00 0.00 H new ATOM 0 HG21 THR A 47 100.691 3.540 1.051 1.00 0.00 H new ATOM 0 HG22 THR A 47 99.995 2.736 -0.376 1.00 0.00 H new ATOM 0 HG23 THR A 47 101.159 4.066 -0.584 1.00 0.00 H new ATOM 687 N HIS A 48 96.720 3.522 -1.616 1.00 0.00 N ATOM 688 CA HIS A 48 95.958 2.332 -2.086 1.00 0.00 C ATOM 689 C HIS A 48 95.995 2.286 -3.609 1.00 0.00 C ATOM 690 O HIS A 48 96.295 1.273 -4.208 1.00 0.00 O ATOM 691 CB HIS A 48 94.531 2.560 -1.592 1.00 0.00 C ATOM 692 CG HIS A 48 93.674 1.383 -1.968 1.00 0.00 C ATOM 693 ND1 HIS A 48 92.732 1.451 -2.984 1.00 0.00 N ATOM 694 CD2 HIS A 48 93.604 0.103 -1.477 1.00 0.00 C ATOM 695 CE1 HIS A 48 92.143 0.245 -3.071 1.00 0.00 C ATOM 696 NE2 HIS A 48 92.636 -0.614 -2.176 1.00 0.00 N ATOM 0 H HIS A 48 96.183 4.191 -1.065 1.00 0.00 H new ATOM 0 HA HIS A 48 96.366 1.391 -1.717 1.00 0.00 H new ATOM 0 HB2 HIS A 48 94.527 2.695 -0.510 1.00 0.00 H new ATOM 0 HB3 HIS A 48 94.125 3.473 -2.029 1.00 0.00 H new ATOM 0 HD1 HIS A 48 92.524 2.267 -3.560 1.00 0.00 H new ATOM 0 HD2 HIS A 48 94.208 -0.288 -0.671 1.00 0.00 H new ATOM 0 HE1 HIS A 48 91.365 0.001 -3.779 1.00 0.00 H new ATOM 704 N ASP A 49 95.701 3.389 -4.234 1.00 0.00 N ATOM 705 CA ASP A 49 95.727 3.435 -5.715 1.00 0.00 C ATOM 706 C ASP A 49 97.144 3.141 -6.205 1.00 0.00 C ATOM 707 O ASP A 49 97.360 2.315 -7.069 1.00 0.00 O ATOM 708 CB ASP A 49 95.317 4.862 -6.078 1.00 0.00 C ATOM 709 CG ASP A 49 93.796 4.939 -6.215 1.00 0.00 C ATOM 710 OD1 ASP A 49 93.245 4.137 -6.952 1.00 0.00 O ATOM 711 OD2 ASP A 49 93.207 5.801 -5.583 1.00 0.00 O ATOM 0 H ASP A 49 95.443 4.264 -3.778 1.00 0.00 H new ATOM 0 HA ASP A 49 95.063 2.701 -6.171 1.00 0.00 H new ATOM 0 HB2 ASP A 49 95.659 5.556 -5.310 1.00 0.00 H new ATOM 0 HB3 ASP A 49 95.792 5.161 -7.012 1.00 0.00 H new ATOM 716 N ASN A 50 98.113 3.813 -5.645 1.00 0.00 N ATOM 717 CA ASN A 50 99.521 3.581 -6.055 1.00 0.00 C ATOM 718 C ASN A 50 99.871 2.102 -5.881 1.00 0.00 C ATOM 719 O ASN A 50 100.652 1.544 -6.627 1.00 0.00 O ATOM 720 CB ASN A 50 100.354 4.449 -5.112 1.00 0.00 C ATOM 721 CG ASN A 50 100.523 5.845 -5.716 1.00 0.00 C ATOM 722 OD1 ASN A 50 101.263 6.024 -6.663 1.00 0.00 O ATOM 723 ND2 ASN A 50 99.863 6.847 -5.205 1.00 0.00 N ATOM 0 H ASN A 50 97.986 4.516 -4.917 1.00 0.00 H new ATOM 0 HA ASN A 50 99.702 3.833 -7.100 1.00 0.00 H new ATOM 0 HB2 ASN A 50 99.867 4.519 -4.140 1.00 0.00 H new ATOM 0 HB3 ASN A 50 101.330 3.992 -4.947 1.00 0.00 H new ATOM 0 HD21 ASN A 50 99.968 7.781 -5.600 1.00 0.00 H new ATOM 0 HD22 ASN A 50 99.242 6.696 -4.410 1.00 0.00 H new ATOM 730 N CYS A 51 99.291 1.462 -4.902 1.00 0.00 N ATOM 731 CA CYS A 51 99.580 0.017 -4.685 1.00 0.00 C ATOM 732 C CYS A 51 98.877 -0.809 -5.764 1.00 0.00 C ATOM 733 O CYS A 51 99.363 -1.839 -6.188 1.00 0.00 O ATOM 734 CB CYS A 51 99.011 -0.301 -3.301 1.00 0.00 C ATOM 735 SG CYS A 51 99.795 -1.797 -2.650 1.00 0.00 S ATOM 0 H CYS A 51 98.631 1.877 -4.245 1.00 0.00 H new ATOM 0 HA CYS A 51 100.644 -0.214 -4.741 1.00 0.00 H new ATOM 0 HB2 CYS A 51 99.184 0.536 -2.625 1.00 0.00 H new ATOM 0 HB3 CYS A 51 97.932 -0.442 -3.364 1.00 0.00 H new ATOM 740 N TYR A 52 97.740 -0.356 -6.220 1.00 0.00 N ATOM 741 CA TYR A 52 97.007 -1.103 -7.281 1.00 0.00 C ATOM 742 C TYR A 52 97.779 -1.013 -8.598 1.00 0.00 C ATOM 743 O TYR A 52 97.682 -1.876 -9.449 1.00 0.00 O ATOM 744 CB TYR A 52 95.655 -0.402 -7.400 1.00 0.00 C ATOM 745 CG TYR A 52 94.692 -0.999 -6.403 1.00 0.00 C ATOM 746 CD1 TYR A 52 95.170 -1.513 -5.191 1.00 0.00 C ATOM 747 CD2 TYR A 52 93.323 -1.040 -6.689 1.00 0.00 C ATOM 748 CE1 TYR A 52 94.279 -2.068 -4.266 1.00 0.00 C ATOM 749 CE2 TYR A 52 92.431 -1.595 -5.764 1.00 0.00 C ATOM 750 CZ TYR A 52 92.909 -2.109 -4.552 1.00 0.00 C ATOM 751 OH TYR A 52 92.029 -2.656 -3.640 1.00 0.00 O ATOM 0 H TYR A 52 97.287 0.501 -5.902 1.00 0.00 H new ATOM 0 HA TYR A 52 96.891 -2.161 -7.045 1.00 0.00 H new ATOM 0 HB2 TYR A 52 95.769 0.666 -7.217 1.00 0.00 H new ATOM 0 HB3 TYR A 52 95.264 -0.512 -8.411 1.00 0.00 H new ATOM 0 HD1 TYR A 52 96.227 -1.481 -4.970 1.00 0.00 H new ATOM 0 HD2 TYR A 52 92.954 -0.643 -7.624 1.00 0.00 H new ATOM 0 HE1 TYR A 52 94.648 -2.465 -3.332 1.00 0.00 H new ATOM 0 HE2 TYR A 52 91.374 -1.627 -5.985 1.00 0.00 H new ATOM 0 HH TYR A 52 92.160 -2.234 -2.765 1.00 0.00 H new ATOM 761 N LYS A 53 98.561 0.019 -8.762 1.00 0.00 N ATOM 762 CA LYS A 53 99.359 0.158 -10.014 1.00 0.00 C ATOM 763 C LYS A 53 100.533 -0.801 -9.931 1.00 0.00 C ATOM 764 O LYS A 53 100.713 -1.673 -10.756 1.00 0.00 O ATOM 765 CB LYS A 53 99.877 1.602 -10.037 1.00 0.00 C ATOM 766 CG LYS A 53 98.814 2.562 -9.508 1.00 0.00 C ATOM 767 CD LYS A 53 98.338 3.473 -10.642 1.00 0.00 C ATOM 768 CE LYS A 53 97.831 2.617 -11.805 1.00 0.00 C ATOM 769 NZ LYS A 53 96.518 2.084 -11.347 1.00 0.00 N ATOM 0 H LYS A 53 98.682 0.771 -8.084 1.00 0.00 H new ATOM 0 HA LYS A 53 98.774 -0.062 -10.907 1.00 0.00 H new ATOM 0 HB2 LYS A 53 100.780 1.680 -9.431 1.00 0.00 H new ATOM 0 HB3 LYS A 53 100.152 1.880 -11.055 1.00 0.00 H new ATOM 0 HG2 LYS A 53 97.973 2.001 -9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 53 99.222 3.161 -8.694 1.00 0.00 H new ATOM 0 HD2 LYS A 53 97.544 4.130 -10.286 1.00 0.00 H new ATOM 0 HD3 LYS A 53 99.155 4.113 -10.976 1.00 0.00 H new ATOM 0 HE2 LYS A 53 97.721 3.210 -12.713 1.00 0.00 H new ATOM 0 HE3 LYS A 53 98.527 1.810 -12.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 96.566 1.047 -11.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 96.293 2.474 -10.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 95.777 2.359 -12.023 1.00 0.00 H new ATOM 783 N GLN A 54 101.322 -0.640 -8.912 1.00 0.00 N ATOM 784 CA GLN A 54 102.490 -1.537 -8.723 1.00 0.00 C ATOM 785 C GLN A 54 102.026 -2.992 -8.780 1.00 0.00 C ATOM 786 O GLN A 54 102.736 -3.870 -9.228 1.00 0.00 O ATOM 787 CB GLN A 54 103.026 -1.206 -7.330 1.00 0.00 C ATOM 788 CG GLN A 54 103.719 0.157 -7.352 1.00 0.00 C ATOM 789 CD GLN A 54 103.702 0.757 -5.945 1.00 0.00 C ATOM 790 OE1 GLN A 54 103.236 0.132 -5.013 1.00 0.00 O ATOM 791 NE2 GLN A 54 104.196 1.948 -5.748 1.00 0.00 N ATOM 0 H GLN A 54 101.208 0.079 -8.197 1.00 0.00 H new ATOM 0 HA GLN A 54 103.251 -1.402 -9.491 1.00 0.00 H new ATOM 0 HB2 GLN A 54 102.209 -1.197 -6.609 1.00 0.00 H new ATOM 0 HB3 GLN A 54 103.727 -1.976 -7.008 1.00 0.00 H new ATOM 0 HG2 GLN A 54 104.746 0.050 -7.701 1.00 0.00 H new ATOM 0 HG3 GLN A 54 103.213 0.824 -8.050 1.00 0.00 H new ATOM 0 HE21 GLN A 54 104.587 2.473 -6.530 1.00 0.00 H new ATOM 0 HE22 GLN A 54 104.191 2.354 -4.812 1.00 0.00 H new ATOM 800 N ALA A 55 100.829 -3.246 -8.325 1.00 0.00 N ATOM 801 CA ALA A 55 100.293 -4.637 -8.341 1.00 0.00 C ATOM 802 C ALA A 55 100.147 -5.129 -9.782 1.00 0.00 C ATOM 803 O ALA A 55 100.458 -6.260 -10.097 1.00 0.00 O ATOM 804 CB ALA A 55 98.924 -4.540 -7.665 1.00 0.00 C ATOM 0 H ALA A 55 100.196 -2.545 -7.941 1.00 0.00 H new ATOM 0 HA ALA A 55 100.951 -5.341 -7.831 1.00 0.00 H new ATOM 0 HB1 ALA A 55 98.461 -5.527 -7.637 1.00 0.00 H new ATOM 0 HB2 ALA A 55 99.046 -4.167 -6.648 1.00 0.00 H new ATOM 0 HB3 ALA A 55 98.288 -3.857 -8.228 1.00 0.00 H new ATOM 810 N LYS A 56 99.679 -4.288 -10.662 1.00 0.00 N ATOM 811 CA LYS A 56 99.524 -4.713 -12.081 1.00 0.00 C ATOM 812 C LYS A 56 100.900 -4.928 -12.711 1.00 0.00 C ATOM 813 O LYS A 56 101.097 -5.824 -13.508 1.00 0.00 O ATOM 814 CB LYS A 56 98.790 -3.558 -12.765 1.00 0.00 C ATOM 815 CG LYS A 56 97.280 -3.789 -12.678 1.00 0.00 C ATOM 816 CD LYS A 56 96.749 -4.209 -14.050 1.00 0.00 C ATOM 817 CE LYS A 56 96.765 -3.005 -14.994 1.00 0.00 C ATOM 818 NZ LYS A 56 97.736 -3.367 -16.063 1.00 0.00 N ATOM 0 H LYS A 56 99.398 -3.328 -10.461 1.00 0.00 H new ATOM 0 HA LYS A 56 98.977 -5.651 -12.178 1.00 0.00 H new ATOM 0 HB2 LYS A 56 99.052 -2.614 -12.288 1.00 0.00 H new ATOM 0 HB3 LYS A 56 99.098 -3.485 -13.808 1.00 0.00 H new ATOM 0 HG2 LYS A 56 97.061 -4.560 -11.940 1.00 0.00 H new ATOM 0 HG3 LYS A 56 96.781 -2.879 -12.346 1.00 0.00 H new ATOM 0 HD2 LYS A 56 97.362 -5.013 -14.458 1.00 0.00 H new ATOM 0 HD3 LYS A 56 95.735 -4.597 -13.956 1.00 0.00 H new ATOM 0 HE2 LYS A 56 95.775 -2.815 -15.408 1.00 0.00 H new ATOM 0 HE3 LYS A 56 97.072 -2.098 -14.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 98.283 -2.525 -16.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 98.383 -4.101 -15.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 97.221 -3.728 -16.892 1.00 0.00 H new ATOM 832 N LYS A 57 101.856 -4.116 -12.354 1.00 0.00 N ATOM 833 CA LYS A 57 103.217 -4.271 -12.923 1.00 0.00 C ATOM 834 C LYS A 57 103.785 -5.647 -12.565 1.00 0.00 C ATOM 835 O LYS A 57 104.479 -6.266 -13.346 1.00 0.00 O ATOM 836 CB LYS A 57 104.047 -3.162 -12.274 1.00 0.00 C ATOM 837 CG LYS A 57 104.635 -2.258 -13.360 1.00 0.00 C ATOM 838 CD LYS A 57 105.938 -1.635 -12.854 1.00 0.00 C ATOM 839 CE LYS A 57 105.630 -0.661 -11.715 1.00 0.00 C ATOM 840 NZ LYS A 57 106.771 0.297 -11.707 1.00 0.00 N ATOM 0 H LYS A 57 101.749 -3.350 -11.690 1.00 0.00 H new ATOM 0 HA LYS A 57 103.221 -4.199 -14.011 1.00 0.00 H new ATOM 0 HB2 LYS A 57 103.424 -2.577 -11.597 1.00 0.00 H new ATOM 0 HB3 LYS A 57 104.848 -3.596 -11.675 1.00 0.00 H new ATOM 0 HG2 LYS A 57 104.823 -2.834 -14.266 1.00 0.00 H new ATOM 0 HG3 LYS A 57 103.923 -1.476 -13.622 1.00 0.00 H new ATOM 0 HD2 LYS A 57 106.615 -2.415 -12.506 1.00 0.00 H new ATOM 0 HD3 LYS A 57 106.443 -1.113 -13.666 1.00 0.00 H new ATOM 0 HE2 LYS A 57 104.684 -0.146 -11.881 1.00 0.00 H new ATOM 0 HE3 LYS A 57 105.546 -1.183 -10.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 106.631 0.997 -10.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 107.658 -0.220 -11.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 106.822 0.784 -12.625 1.00 0.00 H new ATOM 854 N LEU A 58 103.495 -6.128 -11.386 1.00 0.00 N ATOM 855 CA LEU A 58 104.020 -7.461 -10.978 1.00 0.00 C ATOM 856 C LEU A 58 103.888 -8.457 -12.133 1.00 0.00 C ATOM 857 O LEU A 58 102.814 -8.672 -12.658 1.00 0.00 O ATOM 858 CB LEU A 58 103.146 -7.893 -9.800 1.00 0.00 C ATOM 859 CG LEU A 58 103.858 -7.565 -8.486 1.00 0.00 C ATOM 860 CD1 LEU A 58 102.828 -7.107 -7.452 1.00 0.00 C ATOM 861 CD2 LEU A 58 104.576 -8.815 -7.969 1.00 0.00 C ATOM 0 H LEU A 58 102.918 -5.656 -10.690 1.00 0.00 H new ATOM 0 HA LEU A 58 105.075 -7.421 -10.708 1.00 0.00 H new ATOM 0 HB2 LEU A 58 102.184 -7.382 -9.841 1.00 0.00 H new ATOM 0 HB3 LEU A 58 102.942 -8.962 -9.858 1.00 0.00 H new ATOM 0 HG LEU A 58 104.585 -6.771 -8.654 1.00 0.00 H new ATOM 0 HD11 LEU A 58 103.333 -6.873 -6.515 1.00 0.00 H new ATOM 0 HD12 LEU A 58 102.314 -6.219 -7.819 1.00 0.00 H new ATOM 0 HD13 LEU A 58 102.102 -7.903 -7.284 1.00 0.00 H new ATOM 0 HD21 LEU A 58 105.084 -8.582 -7.033 1.00 0.00 H new ATOM 0 HD22 LEU A 58 103.848 -9.609 -7.800 1.00 0.00 H new ATOM 0 HD23 LEU A 58 105.308 -9.145 -8.706 1.00 0.00 H new ATOM 873 N ASP A 59 104.970 -9.067 -12.531 1.00 0.00 N ATOM 874 CA ASP A 59 104.900 -10.048 -13.650 1.00 0.00 C ATOM 875 C ASP A 59 103.693 -10.975 -13.462 1.00 0.00 C ATOM 876 O ASP A 59 102.773 -10.979 -14.254 1.00 0.00 O ATOM 877 CB ASP A 59 106.205 -10.841 -13.563 1.00 0.00 C ATOM 878 CG ASP A 59 107.101 -10.484 -14.751 1.00 0.00 C ATOM 879 OD1 ASP A 59 106.591 -10.438 -15.858 1.00 0.00 O ATOM 880 OD2 ASP A 59 108.281 -10.264 -14.533 1.00 0.00 O ATOM 0 H ASP A 59 105.898 -8.929 -12.131 1.00 0.00 H new ATOM 0 HA ASP A 59 104.782 -9.564 -14.620 1.00 0.00 H new ATOM 0 HB2 ASP A 59 106.717 -10.617 -12.627 1.00 0.00 H new ATOM 0 HB3 ASP A 59 105.994 -11.910 -13.562 1.00 0.00 H new ATOM 885 N SER A 60 103.695 -11.762 -12.421 1.00 0.00 N ATOM 886 CA SER A 60 102.554 -12.689 -12.181 1.00 0.00 C ATOM 887 C SER A 60 101.219 -11.966 -12.386 1.00 0.00 C ATOM 888 O SER A 60 100.331 -12.460 -13.050 1.00 0.00 O ATOM 889 CB SER A 60 102.707 -13.132 -10.727 1.00 0.00 C ATOM 890 OG SER A 60 101.951 -14.316 -10.513 1.00 0.00 O ATOM 0 H SER A 60 104.440 -11.803 -11.725 1.00 0.00 H new ATOM 0 HA SER A 60 102.560 -13.533 -12.870 1.00 0.00 H new ATOM 0 HB2 SER A 60 103.758 -13.312 -10.499 1.00 0.00 H new ATOM 0 HB3 SER A 60 102.366 -12.343 -10.057 1.00 0.00 H new ATOM 0 HG SER A 60 102.049 -14.603 -9.581 1.00 0.00 H new ATOM 896 N CYS A 61 101.071 -10.800 -11.816 1.00 0.00 N ATOM 897 CA CYS A 61 99.792 -10.048 -11.976 1.00 0.00 C ATOM 898 C CYS A 61 99.594 -9.636 -13.436 1.00 0.00 C ATOM 899 O CYS A 61 98.514 -9.741 -13.981 1.00 0.00 O ATOM 900 CB CYS A 61 99.947 -8.811 -11.091 1.00 0.00 C ATOM 901 SG CYS A 61 99.896 -9.302 -9.350 1.00 0.00 S ATOM 0 H CYS A 61 101.779 -10.336 -11.247 1.00 0.00 H new ATOM 0 HA CYS A 61 98.926 -10.648 -11.696 1.00 0.00 H new ATOM 0 HB2 CYS A 61 100.890 -8.310 -11.311 1.00 0.00 H new ATOM 0 HB3 CYS A 61 99.150 -8.098 -11.302 1.00 0.00 H new ATOM 906 N LYS A 62 100.630 -9.162 -14.071 1.00 0.00 N ATOM 907 CA LYS A 62 100.501 -8.736 -15.494 1.00 0.00 C ATOM 908 C LYS A 62 100.195 -9.942 -16.388 1.00 0.00 C ATOM 909 O LYS A 62 99.910 -9.799 -17.560 1.00 0.00 O ATOM 910 CB LYS A 62 101.861 -8.134 -15.849 1.00 0.00 C ATOM 911 CG LYS A 62 101.775 -7.450 -17.214 1.00 0.00 C ATOM 912 CD LYS A 62 103.060 -7.714 -18.000 1.00 0.00 C ATOM 913 CE LYS A 62 103.252 -6.613 -19.046 1.00 0.00 C ATOM 914 NZ LYS A 62 104.726 -6.507 -19.224 1.00 0.00 N ATOM 0 H LYS A 62 101.560 -9.051 -13.667 1.00 0.00 H new ATOM 0 HA LYS A 62 99.688 -8.025 -15.639 1.00 0.00 H new ATOM 0 HB2 LYS A 62 102.162 -7.414 -15.088 1.00 0.00 H new ATOM 0 HB3 LYS A 62 102.622 -8.914 -15.868 1.00 0.00 H new ATOM 0 HG2 LYS A 62 100.914 -7.826 -17.767 1.00 0.00 H new ATOM 0 HG3 LYS A 62 101.628 -6.377 -17.086 1.00 0.00 H new ATOM 0 HD2 LYS A 62 103.914 -7.741 -17.323 1.00 0.00 H new ATOM 0 HD3 LYS A 62 103.008 -8.688 -18.487 1.00 0.00 H new ATOM 0 HE2 LYS A 62 102.758 -6.868 -19.984 1.00 0.00 H new ATOM 0 HE3 LYS A 62 102.826 -5.668 -18.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 104.939 -5.771 -19.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 105.168 -6.257 -18.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 105.102 -7.419 -19.552 1.00 0.00 H new ATOM 928 N VAL A 63 100.251 -11.129 -15.846 1.00 0.00 N ATOM 929 CA VAL A 63 99.961 -12.338 -16.671 1.00 0.00 C ATOM 930 C VAL A 63 98.759 -13.096 -16.101 1.00 0.00 C ATOM 931 O VAL A 63 98.661 -14.302 -16.218 1.00 0.00 O ATOM 932 CB VAL A 63 101.227 -13.192 -16.585 1.00 0.00 C ATOM 933 CG1 VAL A 63 101.406 -13.701 -15.153 1.00 0.00 C ATOM 934 CG2 VAL A 63 101.100 -14.386 -17.536 1.00 0.00 C ATOM 0 H VAL A 63 100.484 -11.314 -14.870 1.00 0.00 H new ATOM 0 HA VAL A 63 99.712 -12.083 -17.701 1.00 0.00 H new ATOM 0 HB VAL A 63 102.091 -12.589 -16.866 1.00 0.00 H new ATOM 0 HG11 VAL A 63 102.308 -14.309 -15.093 1.00 0.00 H new ATOM 0 HG12 VAL A 63 101.494 -12.853 -14.474 1.00 0.00 H new ATOM 0 HG13 VAL A 63 100.543 -14.304 -14.871 1.00 0.00 H new ATOM 0 HG21 VAL A 63 102.001 -14.996 -17.476 1.00 0.00 H new ATOM 0 HG22 VAL A 63 100.236 -14.987 -17.252 1.00 0.00 H new ATOM 0 HG23 VAL A 63 100.972 -14.026 -18.557 1.00 0.00 H new ATOM 1019 N TYR A 69 90.833 -5.757 -10.392 1.00 0.00 N ATOM 1020 CA TYR A 69 89.438 -5.666 -9.873 1.00 0.00 C ATOM 1021 C TYR A 69 88.783 -7.050 -9.862 1.00 0.00 C ATOM 1022 O TYR A 69 88.357 -7.538 -8.835 1.00 0.00 O ATOM 1023 CB TYR A 69 88.716 -4.741 -10.853 1.00 0.00 C ATOM 1024 CG TYR A 69 88.290 -3.466 -10.134 1.00 0.00 C ATOM 1025 CD1 TYR A 69 89.255 -2.558 -9.684 1.00 0.00 C ATOM 1026 CD2 TYR A 69 86.930 -3.203 -9.926 1.00 0.00 C ATOM 1027 CE1 TYR A 69 88.860 -1.386 -9.027 1.00 0.00 C ATOM 1028 CE2 TYR A 69 86.537 -2.032 -9.269 1.00 0.00 C ATOM 1029 CZ TYR A 69 87.502 -1.124 -8.819 1.00 0.00 C ATOM 1030 OH TYR A 69 87.113 0.031 -8.171 1.00 0.00 O ATOM 0 HA TYR A 69 89.401 -5.291 -8.850 1.00 0.00 H new ATOM 0 HB2 TYR A 69 89.372 -4.497 -11.689 1.00 0.00 H new ATOM 0 HB3 TYR A 69 87.843 -5.245 -11.269 1.00 0.00 H new ATOM 0 HD1 TYR A 69 90.304 -2.761 -9.843 1.00 0.00 H new ATOM 0 HD2 TYR A 69 86.185 -3.904 -10.273 1.00 0.00 H new ATOM 0 HE1 TYR A 69 89.604 -0.684 -8.681 1.00 0.00 H new ATOM 0 HE2 TYR A 69 85.488 -1.829 -9.109 1.00 0.00 H new ATOM 0 HH TYR A 69 86.135 0.059 -8.110 1.00 0.00 H new ATOM 1040 N THR A 70 88.697 -7.680 -11.000 1.00 0.00 N ATOM 1041 CA THR A 70 88.070 -9.026 -11.066 1.00 0.00 C ATOM 1042 C THR A 70 88.784 -9.992 -10.118 1.00 0.00 C ATOM 1043 O THR A 70 88.269 -11.039 -9.777 1.00 0.00 O ATOM 1044 CB THR A 70 88.246 -9.474 -12.518 1.00 0.00 C ATOM 1045 OG1 THR A 70 89.576 -9.200 -12.936 1.00 0.00 O ATOM 1046 CG2 THR A 70 87.263 -8.716 -13.411 1.00 0.00 C ATOM 0 H THR A 70 89.036 -7.317 -11.891 1.00 0.00 H new ATOM 0 HA THR A 70 87.022 -9.007 -10.768 1.00 0.00 H new ATOM 0 HB THR A 70 88.052 -10.544 -12.595 1.00 0.00 H new ATOM 0 HG1 THR A 70 89.693 -9.488 -13.866 1.00 0.00 H new ATOM 0 HG21 THR A 70 87.390 -9.036 -14.445 1.00 0.00 H new ATOM 0 HG22 THR A 70 86.243 -8.925 -13.089 1.00 0.00 H new ATOM 0 HG23 THR A 70 87.455 -7.646 -13.337 1.00 0.00 H new ATOM 1054 N ASN A 71 89.968 -9.650 -9.691 1.00 0.00 N ATOM 1055 CA ASN A 71 90.718 -10.551 -8.769 1.00 0.00 C ATOM 1056 C ASN A 71 89.960 -10.715 -7.449 1.00 0.00 C ATOM 1057 O ASN A 71 89.260 -9.825 -7.007 1.00 0.00 O ATOM 1058 CB ASN A 71 92.057 -9.852 -8.535 1.00 0.00 C ATOM 1059 CG ASN A 71 92.931 -10.718 -7.627 1.00 0.00 C ATOM 1060 OD1 ASN A 71 92.764 -10.661 -6.335 1.00 0.00 O flip ATOM 1061 ND2 ASN A 71 93.776 -11.453 -8.098 1.00 0.00 N flip ATOM 0 H ASN A 71 90.449 -8.786 -9.940 1.00 0.00 H new ATOM 0 HA ASN A 71 90.846 -11.550 -9.185 1.00 0.00 H new ATOM 0 HB2 ASN A 71 92.561 -9.680 -9.486 1.00 0.00 H new ATOM 0 HB3 ASN A 71 91.895 -8.876 -8.079 1.00 0.00 H new ATOM 0 HD21 ASN A 71 93.907 -11.498 -9.109 1.00 0.00 H new ATOM 0 HD22 ASN A 71 94.354 -12.025 -7.483 1.00 0.00 H new ATOM 1068 N ASN A 72 90.097 -11.848 -6.814 1.00 0.00 N ATOM 1069 CA ASN A 72 89.388 -12.071 -5.522 1.00 0.00 C ATOM 1070 C ASN A 72 90.282 -12.855 -4.558 1.00 0.00 C ATOM 1071 O ASN A 72 90.499 -14.039 -4.721 1.00 0.00 O ATOM 1072 CB ASN A 72 88.146 -12.884 -5.887 1.00 0.00 C ATOM 1073 CG ASN A 72 87.485 -13.404 -4.609 1.00 0.00 C ATOM 1074 OD1 ASN A 72 86.798 -12.671 -3.926 1.00 0.00 O ATOM 1075 ND2 ASN A 72 87.663 -14.647 -4.257 1.00 0.00 N ATOM 0 H ASN A 72 90.670 -12.629 -7.135 1.00 0.00 H new ATOM 0 HA ASN A 72 89.130 -11.136 -5.025 1.00 0.00 H new ATOM 0 HB2 ASN A 72 87.444 -12.265 -6.447 1.00 0.00 H new ATOM 0 HB3 ASN A 72 88.421 -13.718 -6.533 1.00 0.00 H new ATOM 0 HD21 ASN A 72 87.225 -15.004 -3.408 1.00 0.00 H new ATOM 0 HD22 ASN A 72 88.240 -15.262 -4.831 1.00 0.00 H new ATOM 1082 N TYR A 73 90.803 -12.204 -3.554 1.00 0.00 N ATOM 1083 CA TYR A 73 91.682 -12.912 -2.580 1.00 0.00 C ATOM 1084 C TYR A 73 90.914 -13.202 -1.288 1.00 0.00 C ATOM 1085 O TYR A 73 90.022 -12.468 -0.907 1.00 0.00 O ATOM 1086 CB TYR A 73 92.834 -11.944 -2.313 1.00 0.00 C ATOM 1087 CG TYR A 73 92.284 -10.652 -1.762 1.00 0.00 C ATOM 1088 CD1 TYR A 73 91.835 -10.591 -0.438 1.00 0.00 C ATOM 1089 CD2 TYR A 73 92.221 -9.514 -2.576 1.00 0.00 C ATOM 1090 CE1 TYR A 73 91.323 -9.393 0.073 1.00 0.00 C ATOM 1091 CE2 TYR A 73 91.708 -8.317 -2.066 1.00 0.00 C ATOM 1092 CZ TYR A 73 91.259 -8.256 -0.741 1.00 0.00 C ATOM 1093 OH TYR A 73 90.755 -7.074 -0.238 1.00 0.00 O ATOM 0 H TYR A 73 90.658 -11.212 -3.366 1.00 0.00 H new ATOM 0 HA TYR A 73 92.034 -13.871 -2.961 1.00 0.00 H new ATOM 0 HB2 TYR A 73 93.537 -12.384 -1.606 1.00 0.00 H new ATOM 0 HB3 TYR A 73 93.385 -11.754 -3.234 1.00 0.00 H new ATOM 0 HD1 TYR A 73 91.884 -11.469 0.190 1.00 0.00 H new ATOM 0 HD2 TYR A 73 92.569 -9.561 -3.597 1.00 0.00 H new ATOM 0 HE1 TYR A 73 90.977 -9.346 1.095 1.00 0.00 H new ATOM 0 HE2 TYR A 73 91.658 -7.440 -2.694 1.00 0.00 H new ATOM 0 HH TYR A 73 91.077 -6.324 -0.781 1.00 0.00 H new ATOM 1103 N SER A 74 91.250 -14.265 -0.611 1.00 0.00 N ATOM 1104 CA SER A 74 90.538 -14.600 0.656 1.00 0.00 C ATOM 1105 C SER A 74 91.316 -14.061 1.859 1.00 0.00 C ATOM 1106 O SER A 74 92.523 -13.926 1.819 1.00 0.00 O ATOM 1107 CB SER A 74 90.489 -16.126 0.692 1.00 0.00 C ATOM 1108 OG SER A 74 89.852 -16.605 -0.485 1.00 0.00 O ATOM 0 H SER A 74 91.987 -14.917 -0.880 1.00 0.00 H new ATOM 0 HA SER A 74 89.542 -14.159 0.698 1.00 0.00 H new ATOM 0 HB2 SER A 74 91.498 -16.532 0.764 1.00 0.00 H new ATOM 0 HB3 SER A 74 89.947 -16.463 1.575 1.00 0.00 H new ATOM 0 HG SER A 74 89.821 -17.584 -0.465 1.00 0.00 H new ATOM 1114 N TYR A 75 90.636 -13.753 2.928 1.00 0.00 N ATOM 1115 CA TYR A 75 91.340 -13.222 4.130 1.00 0.00 C ATOM 1116 C TYR A 75 90.572 -13.583 5.405 1.00 0.00 C ATOM 1117 O TYR A 75 89.643 -14.365 5.384 1.00 0.00 O ATOM 1118 CB TYR A 75 91.372 -11.704 3.929 1.00 0.00 C ATOM 1119 CG TYR A 75 90.001 -11.114 4.236 1.00 0.00 C ATOM 1120 CD1 TYR A 75 89.025 -11.050 3.234 1.00 0.00 C ATOM 1121 CD2 TYR A 75 89.718 -10.635 5.521 1.00 0.00 C ATOM 1122 CE1 TYR A 75 87.765 -10.506 3.518 1.00 0.00 C ATOM 1123 CE2 TYR A 75 88.459 -10.093 5.805 1.00 0.00 C ATOM 1124 CZ TYR A 75 87.483 -10.027 4.803 1.00 0.00 C ATOM 1125 OH TYR A 75 86.242 -9.493 5.083 1.00 0.00 O ATOM 0 H TYR A 75 89.625 -13.846 3.022 1.00 0.00 H new ATOM 0 HA TYR A 75 92.340 -13.641 4.240 1.00 0.00 H new ATOM 0 HB2 TYR A 75 92.124 -11.258 4.579 1.00 0.00 H new ATOM 0 HB3 TYR A 75 91.658 -11.470 2.904 1.00 0.00 H new ATOM 0 HD1 TYR A 75 89.243 -11.420 2.243 1.00 0.00 H new ATOM 0 HD2 TYR A 75 90.471 -10.684 6.293 1.00 0.00 H new ATOM 0 HE1 TYR A 75 87.012 -10.456 2.746 1.00 0.00 H new ATOM 0 HE2 TYR A 75 88.240 -9.726 6.797 1.00 0.00 H new ATOM 0 HH TYR A 75 86.212 -9.209 6.020 1.00 0.00 H new ATOM 1135 N SER A 76 90.955 -13.013 6.512 1.00 0.00 N ATOM 1136 CA SER A 76 90.255 -13.310 7.793 1.00 0.00 C ATOM 1137 C SER A 76 90.559 -12.211 8.813 1.00 0.00 C ATOM 1138 O SER A 76 91.391 -11.358 8.586 1.00 0.00 O ATOM 1139 CB SER A 76 90.824 -14.648 8.258 1.00 0.00 C ATOM 1140 OG SER A 76 89.825 -15.356 8.982 1.00 0.00 O ATOM 0 H SER A 76 91.727 -12.350 6.586 1.00 0.00 H new ATOM 0 HA SER A 76 89.172 -13.353 7.677 1.00 0.00 H new ATOM 0 HB2 SER A 76 91.153 -15.235 7.400 1.00 0.00 H new ATOM 0 HB3 SER A 76 91.699 -14.485 8.887 1.00 0.00 H new ATOM 0 HG SER A 76 90.186 -16.217 9.281 1.00 0.00 H new ATOM 1146 N CYS A 77 89.894 -12.223 9.934 1.00 0.00 N ATOM 1147 CA CYS A 77 90.159 -11.173 10.956 1.00 0.00 C ATOM 1148 C CYS A 77 90.493 -11.816 12.298 1.00 0.00 C ATOM 1149 O CYS A 77 90.283 -12.993 12.513 1.00 0.00 O ATOM 1150 CB CYS A 77 88.862 -10.373 11.053 1.00 0.00 C ATOM 1151 SG CYS A 77 88.898 -9.279 12.495 1.00 0.00 S ATOM 0 H CYS A 77 89.183 -12.910 10.186 1.00 0.00 H new ATOM 0 HA CYS A 77 91.006 -10.542 10.687 1.00 0.00 H new ATOM 0 HB2 CYS A 77 88.722 -9.785 10.146 1.00 0.00 H new ATOM 0 HB3 CYS A 77 88.013 -11.053 11.126 1.00 0.00 H new ATOM 1156 N SER A 78 91.011 -11.040 13.197 1.00 0.00 N ATOM 1157 CA SER A 78 91.373 -11.572 14.543 1.00 0.00 C ATOM 1158 C SER A 78 92.216 -10.544 15.301 1.00 0.00 C ATOM 1159 O SER A 78 93.077 -9.900 14.738 1.00 0.00 O ATOM 1160 CB SER A 78 92.191 -12.836 14.272 1.00 0.00 C ATOM 1161 OG SER A 78 91.449 -13.973 14.692 1.00 0.00 O ATOM 0 H SER A 78 91.204 -10.048 13.061 1.00 0.00 H new ATOM 0 HA SER A 78 90.494 -11.783 15.152 1.00 0.00 H new ATOM 0 HB2 SER A 78 92.424 -12.911 13.210 1.00 0.00 H new ATOM 0 HB3 SER A 78 93.141 -12.790 14.805 1.00 0.00 H new ATOM 0 HG SER A 78 90.704 -14.125 14.073 1.00 0.00 H new ATOM 1167 N ASN A 79 91.974 -10.382 16.572 1.00 0.00 N ATOM 1168 CA ASN A 79 92.763 -9.392 17.360 1.00 0.00 C ATOM 1169 C ASN A 79 92.846 -8.064 16.606 1.00 0.00 C ATOM 1170 O ASN A 79 93.909 -7.500 16.429 1.00 0.00 O ATOM 1171 CB ASN A 79 94.153 -10.013 17.511 1.00 0.00 C ATOM 1172 CG ASN A 79 94.014 -11.489 17.891 1.00 0.00 C ATOM 1173 OD1 ASN A 79 94.144 -12.358 17.052 1.00 0.00 O ATOM 1174 ND2 ASN A 79 93.755 -11.811 19.129 1.00 0.00 N ATOM 0 H ASN A 79 91.265 -10.891 17.099 1.00 0.00 H new ATOM 0 HA ASN A 79 92.308 -9.181 18.328 1.00 0.00 H new ATOM 0 HB2 ASN A 79 94.709 -9.917 16.578 1.00 0.00 H new ATOM 0 HB3 ASN A 79 94.719 -9.481 18.276 1.00 0.00 H new ATOM 0 HD21 ASN A 79 93.662 -12.792 19.392 1.00 0.00 H new ATOM 0 HD22 ASN A 79 93.646 -11.082 19.834 1.00 0.00 H new ATOM 1181 N ASN A 80 91.729 -7.560 16.165 1.00 0.00 N ATOM 1182 CA ASN A 80 91.721 -6.279 15.430 1.00 0.00 C ATOM 1183 C ASN A 80 92.831 -6.270 14.389 1.00 0.00 C ATOM 1184 O ASN A 80 93.510 -5.284 14.180 1.00 0.00 O ATOM 1185 CB ASN A 80 91.944 -5.215 16.496 1.00 0.00 C ATOM 1186 CG ASN A 80 91.071 -5.493 17.693 1.00 0.00 C ATOM 1187 OD1 ASN A 80 89.897 -5.980 17.506 1.00 0.00 O flip ATOM 1188 ND2 ASN A 80 91.465 -5.262 18.819 1.00 0.00 N flip ATOM 0 H ASN A 80 90.813 -7.991 16.287 1.00 0.00 H new ATOM 0 HA ASN A 80 90.791 -6.107 14.888 1.00 0.00 H new ATOM 0 HB2 ASN A 80 92.992 -5.202 16.795 1.00 0.00 H new ATOM 0 HB3 ASN A 80 91.716 -4.229 16.091 1.00 0.00 H new ATOM 0 HD21 ASN A 80 92.398 -4.875 18.964 1.00 0.00 H new ATOM 0 HD22 ASN A 80 90.863 -5.455 19.620 1.00 0.00 H new ATOM 1195 N GLU A 81 93.005 -7.373 13.729 1.00 0.00 N ATOM 1196 CA GLU A 81 94.050 -7.466 12.684 1.00 0.00 C ATOM 1197 C GLU A 81 93.503 -8.178 11.450 1.00 0.00 C ATOM 1198 O GLU A 81 92.567 -8.949 11.523 1.00 0.00 O ATOM 1199 CB GLU A 81 95.190 -8.265 13.307 1.00 0.00 C ATOM 1200 CG GLU A 81 95.944 -7.373 14.287 1.00 0.00 C ATOM 1201 CD GLU A 81 97.445 -7.455 14.005 1.00 0.00 C ATOM 1202 OE1 GLU A 81 98.090 -8.316 14.582 1.00 0.00 O ATOM 1203 OE2 GLU A 81 97.925 -6.655 13.219 1.00 0.00 O ATOM 0 H GLU A 81 92.461 -8.224 13.871 1.00 0.00 H new ATOM 0 HA GLU A 81 94.386 -6.481 12.360 1.00 0.00 H new ATOM 0 HB2 GLU A 81 94.798 -9.142 13.822 1.00 0.00 H new ATOM 0 HB3 GLU A 81 95.865 -8.626 12.531 1.00 0.00 H new ATOM 0 HG2 GLU A 81 95.602 -6.342 14.193 1.00 0.00 H new ATOM 0 HG3 GLU A 81 95.738 -7.685 15.311 1.00 0.00 H new ATOM 1210 N ILE A 82 94.083 -7.921 10.315 1.00 0.00 N ATOM 1211 CA ILE A 82 93.597 -8.573 9.066 1.00 0.00 C ATOM 1212 C ILE A 82 94.448 -9.799 8.732 1.00 0.00 C ATOM 1213 O ILE A 82 95.660 -9.769 8.805 1.00 0.00 O ATOM 1214 CB ILE A 82 93.741 -7.503 7.986 1.00 0.00 C ATOM 1215 CG1 ILE A 82 92.718 -6.392 8.236 1.00 0.00 C ATOM 1216 CG2 ILE A 82 93.493 -8.123 6.610 1.00 0.00 C ATOM 1217 CD1 ILE A 82 92.906 -5.283 7.201 1.00 0.00 C ATOM 0 H ILE A 82 94.873 -7.288 10.195 1.00 0.00 H new ATOM 0 HA ILE A 82 92.570 -8.927 9.158 1.00 0.00 H new ATOM 0 HB ILE A 82 94.749 -7.089 8.018 1.00 0.00 H new ATOM 0 HG12 ILE A 82 91.707 -6.794 8.174 1.00 0.00 H new ATOM 0 HG13 ILE A 82 92.840 -5.990 9.242 1.00 0.00 H new ATOM 0 HG21 ILE A 82 93.597 -7.357 5.842 1.00 0.00 H new ATOM 0 HG22 ILE A 82 94.219 -8.916 6.432 1.00 0.00 H new ATOM 0 HG23 ILE A 82 92.486 -8.539 6.574 1.00 0.00 H new ATOM 0 HD11 ILE A 82 92.178 -4.492 7.379 1.00 0.00 H new ATOM 0 HD12 ILE A 82 93.913 -4.874 7.284 1.00 0.00 H new ATOM 0 HD13 ILE A 82 92.762 -5.691 6.201 1.00 0.00 H new ATOM 1229 N THR A 83 93.813 -10.878 8.371 1.00 0.00 N ATOM 1230 CA THR A 83 94.567 -12.118 8.033 1.00 0.00 C ATOM 1231 C THR A 83 94.356 -12.472 6.554 1.00 0.00 C ATOM 1232 O THR A 83 93.255 -12.423 6.047 1.00 0.00 O ATOM 1233 CB THR A 83 93.968 -13.188 8.959 1.00 0.00 C ATOM 1234 OG1 THR A 83 94.691 -13.206 10.181 1.00 0.00 O ATOM 1235 CG2 THR A 83 94.041 -14.571 8.305 1.00 0.00 C ATOM 0 H THR A 83 92.799 -10.955 8.295 1.00 0.00 H new ATOM 0 HA THR A 83 95.644 -12.019 8.172 1.00 0.00 H new ATOM 0 HB THR A 83 92.922 -12.946 9.146 1.00 0.00 H new ATOM 0 HG1 THR A 83 94.311 -13.886 10.776 1.00 0.00 H new ATOM 0 HG21 THR A 83 93.612 -15.314 8.977 1.00 0.00 H new ATOM 0 HG22 THR A 83 93.481 -14.561 7.370 1.00 0.00 H new ATOM 0 HG23 THR A 83 95.082 -14.823 8.102 1.00 0.00 H new ATOM 1243 N CYS A 84 95.402 -12.834 5.860 1.00 0.00 N ATOM 1244 CA CYS A 84 95.253 -13.194 4.419 1.00 0.00 C ATOM 1245 C CYS A 84 95.867 -14.574 4.157 1.00 0.00 C ATOM 1246 O CYS A 84 96.961 -14.870 4.595 1.00 0.00 O ATOM 1247 CB CYS A 84 96.014 -12.113 3.649 1.00 0.00 C ATOM 1248 SG CYS A 84 94.891 -11.298 2.484 1.00 0.00 S ATOM 0 H CYS A 84 96.352 -12.896 6.227 1.00 0.00 H new ATOM 0 HA CYS A 84 94.208 -13.244 4.114 1.00 0.00 H new ATOM 0 HB2 CYS A 84 96.429 -11.382 4.342 1.00 0.00 H new ATOM 0 HB3 CYS A 84 96.853 -12.556 3.113 1.00 0.00 H new ATOM 1253 N SER A 85 95.170 -15.419 3.447 1.00 0.00 N ATOM 1254 CA SER A 85 95.714 -16.778 3.159 1.00 0.00 C ATOM 1255 C SER A 85 97.179 -16.681 2.723 1.00 0.00 C ATOM 1256 O SER A 85 97.614 -15.676 2.198 1.00 0.00 O ATOM 1257 CB SER A 85 94.853 -17.320 2.020 1.00 0.00 C ATOM 1258 OG SER A 85 93.561 -16.729 2.082 1.00 0.00 O ATOM 0 H SER A 85 94.248 -15.228 3.054 1.00 0.00 H new ATOM 0 HA SER A 85 95.685 -17.426 4.035 1.00 0.00 H new ATOM 0 HB2 SER A 85 95.320 -17.100 1.060 1.00 0.00 H new ATOM 0 HB3 SER A 85 94.773 -18.405 2.094 1.00 0.00 H new ATOM 0 HG SER A 85 92.886 -17.430 2.194 1.00 0.00 H new ATOM 1264 N SER A 86 97.942 -17.719 2.933 1.00 0.00 N ATOM 1265 CA SER A 86 99.376 -17.682 2.526 1.00 0.00 C ATOM 1266 C SER A 86 99.518 -18.117 1.067 1.00 0.00 C ATOM 1267 O SER A 86 100.363 -17.628 0.341 1.00 0.00 O ATOM 1268 CB SER A 86 100.081 -18.670 3.453 1.00 0.00 C ATOM 1269 OG SER A 86 99.735 -19.996 3.075 1.00 0.00 O ATOM 0 H SER A 86 97.636 -18.589 3.368 1.00 0.00 H new ATOM 0 HA SER A 86 99.802 -16.682 2.604 1.00 0.00 H new ATOM 0 HB2 SER A 86 101.161 -18.533 3.396 1.00 0.00 H new ATOM 0 HB3 SER A 86 99.791 -18.487 4.488 1.00 0.00 H new ATOM 0 HG SER A 86 100.187 -20.633 3.667 1.00 0.00 H new ATOM 1275 N GLU A 87 98.696 -19.029 0.630 1.00 0.00 N ATOM 1276 CA GLU A 87 98.780 -19.492 -0.783 1.00 0.00 C ATOM 1277 C GLU A 87 98.712 -18.289 -1.726 1.00 0.00 C ATOM 1278 O GLU A 87 99.150 -18.346 -2.857 1.00 0.00 O ATOM 1279 CB GLU A 87 97.559 -20.390 -0.974 1.00 0.00 C ATOM 1280 CG GLU A 87 97.921 -21.831 -0.609 1.00 0.00 C ATOM 1281 CD GLU A 87 96.781 -22.764 -1.021 1.00 0.00 C ATOM 1282 OE1 GLU A 87 95.647 -22.466 -0.684 1.00 0.00 O ATOM 1283 OE2 GLU A 87 97.061 -23.760 -1.668 1.00 0.00 O ATOM 0 H GLU A 87 97.969 -19.474 1.190 1.00 0.00 H new ATOM 0 HA GLU A 87 99.710 -20.018 -0.997 1.00 0.00 H new ATOM 0 HB2 GLU A 87 96.737 -20.041 -0.349 1.00 0.00 H new ATOM 0 HB3 GLU A 87 97.217 -20.341 -2.008 1.00 0.00 H new ATOM 0 HG2 GLU A 87 98.844 -22.123 -1.110 1.00 0.00 H new ATOM 0 HG3 GLU A 87 98.101 -21.911 0.463 1.00 0.00 H new ATOM 1290 N ASN A 88 98.163 -17.203 -1.262 1.00 0.00 N ATOM 1291 CA ASN A 88 98.060 -15.993 -2.122 1.00 0.00 C ATOM 1292 C ASN A 88 99.373 -15.759 -2.871 1.00 0.00 C ATOM 1293 O ASN A 88 100.355 -15.325 -2.302 1.00 0.00 O ATOM 1294 CB ASN A 88 97.779 -14.844 -1.154 1.00 0.00 C ATOM 1295 CG ASN A 88 96.332 -14.934 -0.668 1.00 0.00 C ATOM 1296 OD1 ASN A 88 95.588 -15.793 -1.096 1.00 0.00 O ATOM 1297 ND2 ASN A 88 95.898 -14.078 0.215 1.00 0.00 N ATOM 0 H ASN A 88 97.780 -17.101 -0.322 1.00 0.00 H new ATOM 0 HA ASN A 88 97.281 -16.089 -2.878 1.00 0.00 H new ATOM 0 HB2 ASN A 88 98.463 -14.892 -0.307 1.00 0.00 H new ATOM 0 HB3 ASN A 88 97.950 -13.887 -1.648 1.00 0.00 H new ATOM 0 HD21 ASN A 88 94.934 -14.130 0.545 1.00 0.00 H new ATOM 0 HD22 ASN A 88 96.522 -13.356 0.575 1.00 0.00 H new ATOM 1304 N ASN A 89 99.399 -16.043 -4.146 1.00 0.00 N ATOM 1305 CA ASN A 89 100.649 -15.836 -4.929 1.00 0.00 C ATOM 1306 C ASN A 89 101.067 -14.363 -4.876 1.00 0.00 C ATOM 1307 O ASN A 89 100.424 -13.548 -4.247 1.00 0.00 O ATOM 1308 CB ASN A 89 100.297 -16.245 -6.359 1.00 0.00 C ATOM 1309 CG ASN A 89 98.968 -15.605 -6.764 1.00 0.00 C ATOM 1310 OD1 ASN A 89 98.449 -14.757 -6.065 1.00 0.00 O ATOM 1311 ND2 ASN A 89 98.390 -15.977 -7.874 1.00 0.00 N ATOM 0 H ASN A 89 98.609 -16.409 -4.677 1.00 0.00 H new ATOM 0 HA ASN A 89 101.483 -16.417 -4.536 1.00 0.00 H new ATOM 0 HB2 ASN A 89 101.086 -15.931 -7.042 1.00 0.00 H new ATOM 0 HB3 ASN A 89 100.226 -17.330 -6.430 1.00 0.00 H new ATOM 0 HD21 ASN A 89 97.504 -15.556 -8.154 1.00 0.00 H new ATOM 0 HD22 ASN A 89 98.824 -16.689 -8.462 1.00 0.00 H new ATOM 1318 N ALA A 90 102.143 -14.021 -5.529 1.00 0.00 N ATOM 1319 CA ALA A 90 102.611 -12.606 -5.516 1.00 0.00 C ATOM 1320 C ALA A 90 101.444 -11.647 -5.772 1.00 0.00 C ATOM 1321 O ALA A 90 101.432 -10.529 -5.296 1.00 0.00 O ATOM 1322 CB ALA A 90 103.636 -12.518 -6.646 1.00 0.00 C ATOM 0 H ALA A 90 102.720 -14.662 -6.073 1.00 0.00 H new ATOM 0 HA ALA A 90 103.037 -12.326 -4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 90 104.029 -11.503 -6.702 1.00 0.00 H new ATOM 0 HB2 ALA A 90 104.453 -13.213 -6.452 1.00 0.00 H new ATOM 0 HB3 ALA A 90 103.158 -12.775 -7.591 1.00 0.00 H new ATOM 1328 N CYS A 91 100.468 -12.069 -6.528 1.00 0.00 N ATOM 1329 CA CYS A 91 99.310 -11.176 -6.817 1.00 0.00 C ATOM 1330 C CYS A 91 98.318 -11.192 -5.652 1.00 0.00 C ATOM 1331 O CYS A 91 98.019 -10.171 -5.063 1.00 0.00 O ATOM 1332 CB CYS A 91 98.669 -11.755 -8.077 1.00 0.00 C ATOM 1333 SG CYS A 91 98.213 -10.409 -9.197 1.00 0.00 S ATOM 0 H CYS A 91 100.422 -12.993 -6.958 1.00 0.00 H new ATOM 0 HA CYS A 91 99.615 -10.139 -6.954 1.00 0.00 H new ATOM 0 HB2 CYS A 91 99.363 -12.434 -8.572 1.00 0.00 H new ATOM 0 HB3 CYS A 91 97.786 -12.338 -7.814 1.00 0.00 H new ATOM 1338 N GLU A 92 97.803 -12.343 -5.312 1.00 0.00 N ATOM 1339 CA GLU A 92 96.830 -12.420 -4.185 1.00 0.00 C ATOM 1340 C GLU A 92 97.457 -11.843 -2.913 1.00 0.00 C ATOM 1341 O GLU A 92 96.770 -11.375 -2.027 1.00 0.00 O ATOM 1342 CB GLU A 92 96.538 -13.912 -4.012 1.00 0.00 C ATOM 1343 CG GLU A 92 95.916 -14.464 -5.295 1.00 0.00 C ATOM 1344 CD GLU A 92 94.393 -14.346 -5.216 1.00 0.00 C ATOM 1345 OE1 GLU A 92 93.857 -14.566 -4.144 1.00 0.00 O ATOM 1346 OE2 GLU A 92 93.790 -14.037 -6.230 1.00 0.00 O ATOM 0 H GLU A 92 98.014 -13.232 -5.765 1.00 0.00 H new ATOM 0 HA GLU A 92 95.922 -11.850 -4.381 1.00 0.00 H new ATOM 0 HB2 GLU A 92 97.458 -14.449 -3.782 1.00 0.00 H new ATOM 0 HB3 GLU A 92 95.861 -14.065 -3.172 1.00 0.00 H new ATOM 0 HG2 GLU A 92 96.290 -13.914 -6.159 1.00 0.00 H new ATOM 0 HG3 GLU A 92 96.204 -15.506 -5.432 1.00 0.00 H new ATOM 1353 N ALA A 93 98.757 -11.871 -2.819 1.00 0.00 N ATOM 1354 CA ALA A 93 99.429 -11.321 -1.607 1.00 0.00 C ATOM 1355 C ALA A 93 99.672 -9.819 -1.774 1.00 0.00 C ATOM 1356 O ALA A 93 99.344 -9.029 -0.911 1.00 0.00 O ATOM 1357 CB ALA A 93 100.758 -12.071 -1.512 1.00 0.00 C ATOM 0 H ALA A 93 99.384 -12.251 -3.528 1.00 0.00 H new ATOM 0 HA ALA A 93 98.826 -11.448 -0.708 1.00 0.00 H new ATOM 0 HB1 ALA A 93 101.312 -11.720 -0.641 1.00 0.00 H new ATOM 0 HB2 ALA A 93 100.567 -13.140 -1.414 1.00 0.00 H new ATOM 0 HB3 ALA A 93 101.344 -11.888 -2.413 1.00 0.00 H new ATOM 1363 N PHE A 94 100.238 -9.416 -2.879 1.00 0.00 N ATOM 1364 CA PHE A 94 100.492 -7.963 -3.095 1.00 0.00 C ATOM 1365 C PHE A 94 99.168 -7.198 -3.101 1.00 0.00 C ATOM 1366 O PHE A 94 99.062 -6.116 -2.560 1.00 0.00 O ATOM 1367 CB PHE A 94 101.176 -7.874 -4.459 1.00 0.00 C ATOM 1368 CG PHE A 94 101.757 -6.490 -4.638 1.00 0.00 C ATOM 1369 CD1 PHE A 94 102.994 -6.172 -4.063 1.00 0.00 C ATOM 1370 CD2 PHE A 94 101.057 -5.527 -5.373 1.00 0.00 C ATOM 1371 CE1 PHE A 94 103.532 -4.890 -4.227 1.00 0.00 C ATOM 1372 CE2 PHE A 94 101.595 -4.244 -5.536 1.00 0.00 C ATOM 1373 CZ PHE A 94 102.832 -3.926 -4.963 1.00 0.00 C ATOM 0 H PHE A 94 100.535 -10.028 -3.639 1.00 0.00 H new ATOM 0 HA PHE A 94 101.108 -7.527 -2.308 1.00 0.00 H new ATOM 0 HB2 PHE A 94 101.964 -8.624 -4.533 1.00 0.00 H new ATOM 0 HB3 PHE A 94 100.459 -8.085 -5.252 1.00 0.00 H new ATOM 0 HD1 PHE A 94 103.532 -6.915 -3.494 1.00 0.00 H new ATOM 0 HD2 PHE A 94 100.102 -5.773 -5.814 1.00 0.00 H new ATOM 0 HE1 PHE A 94 104.487 -4.644 -3.786 1.00 0.00 H new ATOM 0 HE2 PHE A 94 101.056 -3.500 -6.104 1.00 0.00 H new ATOM 0 HZ PHE A 94 103.247 -2.937 -5.089 1.00 0.00 H new ATOM 1383 N ILE A 95 98.153 -7.755 -3.706 1.00 0.00 N ATOM 1384 CA ILE A 95 96.834 -7.061 -3.738 1.00 0.00 C ATOM 1385 C ILE A 95 96.259 -6.977 -2.322 1.00 0.00 C ATOM 1386 O ILE A 95 95.780 -5.945 -1.895 1.00 0.00 O ATOM 1387 CB ILE A 95 95.947 -7.929 -4.630 1.00 0.00 C ATOM 1388 CG1 ILE A 95 96.521 -7.950 -6.049 1.00 0.00 C ATOM 1389 CG2 ILE A 95 94.531 -7.350 -4.662 1.00 0.00 C ATOM 1390 CD1 ILE A 95 95.628 -8.806 -6.949 1.00 0.00 C ATOM 0 H ILE A 95 98.180 -8.659 -4.178 1.00 0.00 H new ATOM 0 HA ILE A 95 96.908 -6.041 -4.116 1.00 0.00 H new ATOM 0 HB ILE A 95 95.914 -8.944 -4.234 1.00 0.00 H new ATOM 0 HG12 ILE A 95 96.585 -6.935 -6.442 1.00 0.00 H new ATOM 0 HG13 ILE A 95 97.534 -8.351 -6.037 1.00 0.00 H new ATOM 0 HG21 ILE A 95 93.899 -7.969 -5.298 1.00 0.00 H new ATOM 0 HG22 ILE A 95 94.122 -7.332 -3.652 1.00 0.00 H new ATOM 0 HG23 ILE A 95 94.562 -6.335 -5.059 1.00 0.00 H new ATOM 0 HD11 ILE A 95 96.037 -8.821 -7.959 1.00 0.00 H new ATOM 0 HD12 ILE A 95 95.587 -9.823 -6.559 1.00 0.00 H new ATOM 0 HD13 ILE A 95 94.623 -8.385 -6.971 1.00 0.00 H new ATOM 1402 N CYS A 96 96.311 -8.056 -1.587 1.00 0.00 N ATOM 1403 CA CYS A 96 95.778 -8.036 -0.194 1.00 0.00 C ATOM 1404 C CYS A 96 96.589 -7.054 0.653 1.00 0.00 C ATOM 1405 O CYS A 96 96.085 -6.452 1.580 1.00 0.00 O ATOM 1406 CB CYS A 96 95.953 -9.471 0.315 1.00 0.00 C ATOM 1407 SG CYS A 96 95.762 -9.511 2.116 1.00 0.00 S ATOM 0 H CYS A 96 96.699 -8.949 -1.891 1.00 0.00 H new ATOM 0 HA CYS A 96 94.737 -7.716 -0.144 1.00 0.00 H new ATOM 0 HB2 CYS A 96 95.217 -10.125 -0.153 1.00 0.00 H new ATOM 0 HB3 CYS A 96 96.937 -9.848 0.036 1.00 0.00 H new ATOM 1412 N ASN A 97 97.845 -6.884 0.335 1.00 0.00 N ATOM 1413 CA ASN A 97 98.690 -5.937 1.114 1.00 0.00 C ATOM 1414 C ASN A 97 98.250 -4.495 0.843 1.00 0.00 C ATOM 1415 O ASN A 97 98.338 -3.637 1.698 1.00 0.00 O ATOM 1416 CB ASN A 97 100.114 -6.169 0.608 1.00 0.00 C ATOM 1417 CG ASN A 97 100.771 -7.278 1.421 1.00 0.00 C ATOM 1418 OD1 ASN A 97 100.175 -7.819 2.332 1.00 0.00 O ATOM 1419 ND2 ASN A 97 101.986 -7.644 1.127 1.00 0.00 N ATOM 0 H ASN A 97 98.321 -7.361 -0.431 1.00 0.00 H new ATOM 0 HA ASN A 97 98.610 -6.097 2.189 1.00 0.00 H new ATOM 0 HB2 ASN A 97 100.096 -6.440 -0.448 1.00 0.00 H new ATOM 0 HB3 ASN A 97 100.695 -5.250 0.691 1.00 0.00 H new ATOM 0 HD21 ASN A 97 102.439 -8.386 1.661 1.00 0.00 H new ATOM 0 HD22 ASN A 97 102.485 -7.189 0.362 1.00 0.00 H new ATOM 1426 N CYS A 98 97.769 -4.225 -0.342 1.00 0.00 N ATOM 1427 CA CYS A 98 97.318 -2.840 -0.665 1.00 0.00 C ATOM 1428 C CYS A 98 96.061 -2.501 0.140 1.00 0.00 C ATOM 1429 O CYS A 98 95.938 -1.431 0.699 1.00 0.00 O ATOM 1430 CB CYS A 98 97.002 -2.860 -2.161 1.00 0.00 C ATOM 1431 SG CYS A 98 98.495 -3.279 -3.095 1.00 0.00 S ATOM 0 H CYS A 98 97.669 -4.902 -1.098 1.00 0.00 H new ATOM 0 HA CYS A 98 98.072 -2.092 -0.420 1.00 0.00 H new ATOM 0 HB2 CYS A 98 96.217 -3.587 -2.367 1.00 0.00 H new ATOM 0 HB3 CYS A 98 96.626 -1.887 -2.476 1.00 0.00 H new ATOM 1436 N ASP A 99 95.126 -3.410 0.200 1.00 0.00 N ATOM 1437 CA ASP A 99 93.876 -3.146 0.967 1.00 0.00 C ATOM 1438 C ASP A 99 94.163 -3.171 2.471 1.00 0.00 C ATOM 1439 O ASP A 99 93.635 -2.379 3.226 1.00 0.00 O ATOM 1440 CB ASP A 99 92.928 -4.283 0.583 1.00 0.00 C ATOM 1441 CG ASP A 99 92.573 -4.173 -0.900 1.00 0.00 C ATOM 1442 OD1 ASP A 99 92.116 -3.116 -1.303 1.00 0.00 O ATOM 1443 OD2 ASP A 99 92.764 -5.148 -1.608 1.00 0.00 O ATOM 0 H ASP A 99 95.174 -4.324 -0.249 1.00 0.00 H new ATOM 0 HA ASP A 99 93.452 -2.168 0.741 1.00 0.00 H new ATOM 0 HB2 ASP A 99 93.397 -5.246 0.785 1.00 0.00 H new ATOM 0 HB3 ASP A 99 92.023 -4.236 1.189 1.00 0.00 H new ATOM 1448 N ARG A 100 94.999 -4.072 2.910 1.00 0.00 N ATOM 1449 CA ARG A 100 95.322 -4.143 4.364 1.00 0.00 C ATOM 1450 C ARG A 100 96.018 -2.856 4.805 1.00 0.00 C ATOM 1451 O ARG A 100 95.656 -2.248 5.792 1.00 0.00 O ATOM 1452 CB ARG A 100 96.263 -5.340 4.504 1.00 0.00 C ATOM 1453 CG ARG A 100 96.419 -5.701 5.983 1.00 0.00 C ATOM 1454 CD ARG A 100 97.653 -6.587 6.167 1.00 0.00 C ATOM 1455 NE ARG A 100 97.122 -7.893 6.614 1.00 0.00 N ATOM 1456 CZ ARG A 100 97.923 -8.910 6.770 1.00 0.00 C ATOM 1457 NH1 ARG A 100 99.132 -8.725 7.226 1.00 0.00 N ATOM 1458 NH2 ARG A 100 97.517 -10.113 6.467 1.00 0.00 N ATOM 0 H ARG A 100 95.472 -4.761 2.326 1.00 0.00 H new ATOM 0 HA ARG A 100 94.432 -4.254 4.984 1.00 0.00 H new ATOM 0 HB2 ARG A 100 95.868 -6.192 3.951 1.00 0.00 H new ATOM 0 HB3 ARG A 100 97.236 -5.103 4.073 1.00 0.00 H new ATOM 0 HG2 ARG A 100 96.517 -4.795 6.581 1.00 0.00 H new ATOM 0 HG3 ARG A 100 95.529 -6.221 6.337 1.00 0.00 H new ATOM 0 HD2 ARG A 100 98.211 -6.685 5.236 1.00 0.00 H new ATOM 0 HD3 ARG A 100 98.336 -6.165 6.904 1.00 0.00 H new ATOM 0 HE ARG A 100 96.125 -7.999 6.801 1.00 0.00 H new ATOM 0 HH11 ARG A 100 99.450 -7.785 7.460 1.00 0.00 H new ATOM 0 HH12 ARG A 100 99.758 -9.521 7.348 1.00 0.00 H new ATOM 0 HH21 ARG A 100 96.573 -10.257 6.108 1.00 0.00 H new ATOM 0 HH22 ARG A 100 98.144 -10.909 6.589 1.00 0.00 H new ATOM 1472 N ASN A 101 97.013 -2.434 4.076 1.00 0.00 N ATOM 1473 CA ASN A 101 97.732 -1.183 4.447 1.00 0.00 C ATOM 1474 C ASN A 101 96.754 -0.005 4.464 1.00 0.00 C ATOM 1475 O ASN A 101 96.880 0.909 5.254 1.00 0.00 O ATOM 1476 CB ASN A 101 98.783 -0.996 3.353 1.00 0.00 C ATOM 1477 CG ASN A 101 100.073 -1.706 3.752 1.00 0.00 C ATOM 1478 OD1 ASN A 101 100.150 -2.312 4.802 1.00 0.00 O ATOM 1479 ND2 ASN A 101 101.096 -1.656 2.948 1.00 0.00 N ATOM 0 H ASN A 101 97.360 -2.902 3.238 1.00 0.00 H new ATOM 0 HA ASN A 101 98.183 -1.237 5.438 1.00 0.00 H new ATOM 0 HB2 ASN A 101 98.414 -1.396 2.409 1.00 0.00 H new ATOM 0 HB3 ASN A 101 98.974 0.066 3.197 1.00 0.00 H new ATOM 0 HD21 ASN A 101 101.965 -2.127 3.199 1.00 0.00 H new ATOM 0 HD22 ASN A 101 101.028 -1.146 2.067 1.00 0.00 H new ATOM 1486 N ALA A 102 95.776 -0.025 3.600 1.00 0.00 N ATOM 1487 CA ALA A 102 94.783 1.088 3.565 1.00 0.00 C ATOM 1488 C ALA A 102 93.877 1.021 4.797 1.00 0.00 C ATOM 1489 O ALA A 102 93.685 1.998 5.494 1.00 0.00 O ATOM 1490 CB ALA A 102 93.972 0.856 2.291 1.00 0.00 C ATOM 0 H ALA A 102 95.621 -0.765 2.915 1.00 0.00 H new ATOM 0 HA ALA A 102 95.259 2.069 3.571 1.00 0.00 H new ATOM 0 HB1 ALA A 102 93.217 1.636 2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 102 94.636 0.883 1.427 1.00 0.00 H new ATOM 0 HB3 ALA A 102 93.483 -0.117 2.343 1.00 0.00 H new ATOM 1496 N ALA A 103 93.320 -0.127 5.072 1.00 0.00 N ATOM 1497 CA ALA A 103 92.432 -0.258 6.262 1.00 0.00 C ATOM 1498 C ALA A 103 93.239 -0.016 7.538 1.00 0.00 C ATOM 1499 O ALA A 103 92.812 0.688 8.432 1.00 0.00 O ATOM 1500 CB ALA A 103 91.916 -1.696 6.216 1.00 0.00 C ATOM 0 H ALA A 103 93.441 -0.979 4.525 1.00 0.00 H new ATOM 0 HA ALA A 103 91.615 0.464 6.256 1.00 0.00 H new ATOM 0 HB1 ALA A 103 91.253 -1.872 7.063 1.00 0.00 H new ATOM 0 HB2 ALA A 103 91.369 -1.857 5.287 1.00 0.00 H new ATOM 0 HB3 ALA A 103 92.758 -2.386 6.265 1.00 0.00 H new ATOM 1506 N ILE A 104 94.408 -0.589 7.625 1.00 0.00 N ATOM 1507 CA ILE A 104 95.250 -0.387 8.839 1.00 0.00 C ATOM 1508 C ILE A 104 95.556 1.101 9.016 1.00 0.00 C ATOM 1509 O ILE A 104 95.681 1.594 10.119 1.00 0.00 O ATOM 1510 CB ILE A 104 96.534 -1.167 8.564 1.00 0.00 C ATOM 1511 CG1 ILE A 104 96.237 -2.668 8.589 1.00 0.00 C ATOM 1512 CG2 ILE A 104 97.573 -0.837 9.636 1.00 0.00 C ATOM 1513 CD1 ILE A 104 97.503 -3.443 8.218 1.00 0.00 C ATOM 0 H ILE A 104 94.817 -1.188 6.908 1.00 0.00 H new ATOM 0 HA ILE A 104 94.756 -0.726 9.750 1.00 0.00 H new ATOM 0 HB ILE A 104 96.922 -0.889 7.584 1.00 0.00 H new ATOM 0 HG12 ILE A 104 95.893 -2.965 9.580 1.00 0.00 H new ATOM 0 HG13 ILE A 104 95.435 -2.903 7.889 1.00 0.00 H new ATOM 0 HG21 ILE A 104 98.489 -1.394 9.439 1.00 0.00 H new ATOM 0 HG22 ILE A 104 97.787 0.232 9.618 1.00 0.00 H new ATOM 0 HG23 ILE A 104 97.185 -1.113 10.616 1.00 0.00 H new ATOM 0 HD11 ILE A 104 97.293 -4.512 8.235 1.00 0.00 H new ATOM 0 HD12 ILE A 104 97.827 -3.153 7.219 1.00 0.00 H new ATOM 0 HD13 ILE A 104 98.292 -3.216 8.935 1.00 0.00 H new ATOM 1525 N CYS A 105 95.676 1.819 7.934 1.00 0.00 N ATOM 1526 CA CYS A 105 95.972 3.275 8.034 1.00 0.00 C ATOM 1527 C CYS A 105 94.794 3.999 8.689 1.00 0.00 C ATOM 1528 O CYS A 105 94.965 4.789 9.596 1.00 0.00 O ATOM 1529 CB CYS A 105 96.158 3.740 6.591 1.00 0.00 C ATOM 1530 SG CYS A 105 97.097 5.287 6.573 1.00 0.00 S ATOM 0 H CYS A 105 95.582 1.460 6.984 1.00 0.00 H new ATOM 0 HA CYS A 105 96.853 3.483 8.641 1.00 0.00 H new ATOM 0 HB2 CYS A 105 96.683 2.977 6.016 1.00 0.00 H new ATOM 0 HB3 CYS A 105 95.188 3.885 6.116 1.00 0.00 H new ATOM 1535 N PHE A 106 93.599 3.725 8.245 1.00 0.00 N ATOM 1536 CA PHE A 106 92.412 4.385 8.847 1.00 0.00 C ATOM 1537 C PHE A 106 92.488 4.270 10.364 1.00 0.00 C ATOM 1538 O PHE A 106 92.181 5.193 11.092 1.00 0.00 O ATOM 1539 CB PHE A 106 91.210 3.605 8.314 1.00 0.00 C ATOM 1540 CG PHE A 106 91.218 3.604 6.801 1.00 0.00 C ATOM 1541 CD1 PHE A 106 91.973 4.552 6.098 1.00 0.00 C ATOM 1542 CD2 PHE A 106 90.466 2.652 6.102 1.00 0.00 C ATOM 1543 CE1 PHE A 106 91.975 4.546 4.698 1.00 0.00 C ATOM 1544 CE2 PHE A 106 90.468 2.646 4.702 1.00 0.00 C ATOM 1545 CZ PHE A 106 91.223 3.594 4.000 1.00 0.00 C ATOM 0 H PHE A 106 93.395 3.071 7.490 1.00 0.00 H new ATOM 0 HA PHE A 106 92.348 5.444 8.598 1.00 0.00 H new ATOM 0 HB2 PHE A 106 91.238 2.581 8.686 1.00 0.00 H new ATOM 0 HB3 PHE A 106 90.286 4.052 8.680 1.00 0.00 H new ATOM 0 HD1 PHE A 106 92.553 5.287 6.636 1.00 0.00 H new ATOM 0 HD2 PHE A 106 89.884 1.921 6.644 1.00 0.00 H new ATOM 0 HE1 PHE A 106 92.557 5.277 4.156 1.00 0.00 H new ATOM 0 HE2 PHE A 106 89.888 1.911 4.164 1.00 0.00 H new ATOM 0 HZ PHE A 106 91.225 3.590 2.920 1.00 0.00 H new ATOM 1555 N SER A 107 92.902 3.132 10.840 1.00 0.00 N ATOM 1556 CA SER A 107 93.011 2.932 12.313 1.00 0.00 C ATOM 1557 C SER A 107 94.259 3.638 12.845 1.00 0.00 C ATOM 1558 O SER A 107 94.413 3.837 14.034 1.00 0.00 O ATOM 1559 CB SER A 107 93.126 1.421 12.501 1.00 0.00 C ATOM 1560 OG SER A 107 94.487 1.034 12.362 1.00 0.00 O ATOM 0 H SER A 107 93.171 2.328 10.273 1.00 0.00 H new ATOM 0 HA SER A 107 92.158 3.343 12.853 1.00 0.00 H new ATOM 0 HB2 SER A 107 92.753 1.136 13.485 1.00 0.00 H new ATOM 0 HB3 SER A 107 92.511 0.903 11.765 1.00 0.00 H new ATOM 0 HG SER A 107 94.823 1.329 11.490 1.00 0.00 H new ATOM 1566 N LYS A 108 95.153 4.017 11.973 1.00 0.00 N ATOM 1567 CA LYS A 108 96.393 4.709 12.429 1.00 0.00 C ATOM 1568 C LYS A 108 96.263 6.220 12.217 1.00 0.00 C ATOM 1569 O LYS A 108 97.162 6.979 12.526 1.00 0.00 O ATOM 1570 CB LYS A 108 97.508 4.140 11.552 1.00 0.00 C ATOM 1571 CG LYS A 108 97.764 2.679 11.931 1.00 0.00 C ATOM 1572 CD LYS A 108 98.829 2.095 11.003 1.00 0.00 C ATOM 1573 CE LYS A 108 100.124 2.898 11.145 1.00 0.00 C ATOM 1574 NZ LYS A 108 101.056 2.304 10.146 1.00 0.00 N ATOM 0 H LYS A 108 95.079 3.878 10.965 1.00 0.00 H new ATOM 0 HA LYS A 108 96.588 4.552 13.490 1.00 0.00 H new ATOM 0 HB2 LYS A 108 97.229 4.210 10.501 1.00 0.00 H new ATOM 0 HB3 LYS A 108 98.419 4.724 11.680 1.00 0.00 H new ATOM 0 HG2 LYS A 108 98.093 2.613 12.968 1.00 0.00 H new ATOM 0 HG3 LYS A 108 96.841 2.104 11.852 1.00 0.00 H new ATOM 0 HD2 LYS A 108 99.008 1.049 11.250 1.00 0.00 H new ATOM 0 HD3 LYS A 108 98.482 2.123 9.970 1.00 0.00 H new ATOM 0 HE2 LYS A 108 99.956 3.957 10.948 1.00 0.00 H new ATOM 0 HE3 LYS A 108 100.527 2.822 12.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 101.968 2.802 10.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 101.202 1.298 10.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 100.649 2.397 9.193 1.00 0.00 H new ATOM 1588 N VAL A 109 95.153 6.663 11.693 1.00 0.00 N ATOM 1589 CA VAL A 109 94.973 8.125 11.464 1.00 0.00 C ATOM 1590 C VAL A 109 93.551 8.552 11.842 1.00 0.00 C ATOM 1591 O VAL A 109 92.653 7.737 11.909 1.00 0.00 O ATOM 1592 CB VAL A 109 95.215 8.328 9.967 1.00 0.00 C ATOM 1593 CG1 VAL A 109 96.699 8.129 9.652 1.00 0.00 C ATOM 1594 CG2 VAL A 109 94.386 7.318 9.172 1.00 0.00 C ATOM 0 H VAL A 109 94.365 6.078 11.414 1.00 0.00 H new ATOM 0 HA VAL A 109 95.654 8.722 12.070 1.00 0.00 H new ATOM 0 HB VAL A 109 94.919 9.340 9.690 1.00 0.00 H new ATOM 0 HG11 VAL A 109 96.867 8.274 8.585 1.00 0.00 H new ATOM 0 HG12 VAL A 109 97.290 8.852 10.214 1.00 0.00 H new ATOM 0 HG13 VAL A 109 96.998 7.119 9.932 1.00 0.00 H new ATOM 0 HG21 VAL A 109 94.559 7.464 8.106 1.00 0.00 H new ATOM 0 HG22 VAL A 109 94.679 6.306 9.452 1.00 0.00 H new ATOM 0 HG23 VAL A 109 93.328 7.463 9.391 1.00 0.00 H new ATOM 1604 N PRO A 110 93.400 9.827 12.078 1.00 0.00 N ATOM 1605 CA PRO A 110 92.080 10.384 12.458 1.00 0.00 C ATOM 1606 C PRO A 110 91.164 10.487 11.235 1.00 0.00 C ATOM 1607 O PRO A 110 91.553 10.180 10.126 1.00 0.00 O ATOM 1608 CB PRO A 110 92.420 11.771 12.995 1.00 0.00 C ATOM 1609 CG PRO A 110 93.715 12.141 12.340 1.00 0.00 C ATOM 1610 CD PRO A 110 94.441 10.859 12.016 1.00 0.00 C ATOM 0 HA PRO A 110 91.549 9.766 13.182 1.00 0.00 H new ATOM 0 HB2 PRO A 110 91.637 12.490 12.753 1.00 0.00 H new ATOM 0 HB3 PRO A 110 92.517 11.760 14.081 1.00 0.00 H new ATOM 0 HG2 PRO A 110 93.535 12.719 11.434 1.00 0.00 H new ATOM 0 HG3 PRO A 110 94.315 12.765 13.002 1.00 0.00 H new ATOM 0 HD2 PRO A 110 94.901 10.901 11.029 1.00 0.00 H new ATOM 0 HD3 PRO A 110 95.239 10.662 12.732 1.00 0.00 H new ATOM 1618 N TYR A 111 89.949 10.922 11.432 1.00 0.00 N ATOM 1619 CA TYR A 111 89.001 11.050 10.287 1.00 0.00 C ATOM 1620 C TYR A 111 88.224 12.365 10.399 1.00 0.00 C ATOM 1621 O TYR A 111 87.407 12.539 11.281 1.00 0.00 O ATOM 1622 CB TYR A 111 88.058 9.854 10.422 1.00 0.00 C ATOM 1623 CG TYR A 111 87.063 9.862 9.286 1.00 0.00 C ATOM 1624 CD1 TYR A 111 85.872 10.588 9.404 1.00 0.00 C ATOM 1625 CD2 TYR A 111 87.330 9.142 8.115 1.00 0.00 C ATOM 1626 CE1 TYR A 111 84.948 10.592 8.352 1.00 0.00 C ATOM 1627 CE2 TYR A 111 86.406 9.147 7.064 1.00 0.00 C ATOM 1628 CZ TYR A 111 85.215 9.872 7.182 1.00 0.00 C ATOM 1629 OH TYR A 111 84.303 9.877 6.146 1.00 0.00 O ATOM 0 H TYR A 111 89.571 11.195 12.339 1.00 0.00 H new ATOM 0 HA TYR A 111 89.509 11.060 9.322 1.00 0.00 H new ATOM 0 HB2 TYR A 111 88.629 8.925 10.412 1.00 0.00 H new ATOM 0 HB3 TYR A 111 87.535 9.897 11.377 1.00 0.00 H new ATOM 0 HD1 TYR A 111 85.666 11.145 10.306 1.00 0.00 H new ATOM 0 HD2 TYR A 111 88.249 8.583 8.023 1.00 0.00 H new ATOM 0 HE1 TYR A 111 84.029 11.151 8.444 1.00 0.00 H new ATOM 0 HE2 TYR A 111 86.612 8.591 6.161 1.00 0.00 H new ATOM 0 HH TYR A 111 84.643 9.328 5.409 1.00 0.00 H new ATOM 1639 N ASN A 112 88.473 13.293 9.516 1.00 0.00 N ATOM 1640 CA ASN A 112 87.750 14.598 9.580 1.00 0.00 C ATOM 1641 C ASN A 112 86.366 14.474 8.939 1.00 0.00 C ATOM 1642 O ASN A 112 86.189 14.734 7.765 1.00 0.00 O ATOM 1643 CB ASN A 112 88.622 15.571 8.786 1.00 0.00 C ATOM 1644 CG ASN A 112 89.661 16.198 9.716 1.00 0.00 C ATOM 1645 OD1 ASN A 112 90.594 15.446 10.233 1.00 0.00 O flip ATOM 1646 ND2 ASN A 112 89.624 17.385 9.974 1.00 0.00 N flip ATOM 0 H ASN A 112 89.145 13.206 8.753 1.00 0.00 H new ATOM 0 HA ASN A 112 87.593 14.931 10.606 1.00 0.00 H new ATOM 0 HB2 ASN A 112 89.118 15.048 7.969 1.00 0.00 H new ATOM 0 HB3 ASN A 112 88.003 16.348 8.338 1.00 0.00 H new ATOM 0 HD21 ASN A 112 88.895 17.972 9.570 1.00 0.00 H new ATOM 0 HD22 ASN A 112 90.322 17.794 10.595 1.00 0.00 H new ATOM 1653 N LYS A 113 85.382 14.084 9.700 1.00 0.00 N ATOM 1654 CA LYS A 113 84.011 13.949 9.133 1.00 0.00 C ATOM 1655 C LYS A 113 83.662 15.182 8.293 1.00 0.00 C ATOM 1656 O LYS A 113 82.924 15.102 7.331 1.00 0.00 O ATOM 1657 CB LYS A 113 83.088 13.849 10.348 1.00 0.00 C ATOM 1658 CG LYS A 113 83.409 12.575 11.135 1.00 0.00 C ATOM 1659 CD LYS A 113 82.257 12.260 12.093 1.00 0.00 C ATOM 1660 CE LYS A 113 82.800 12.136 13.519 1.00 0.00 C ATOM 1661 NZ LYS A 113 83.527 10.836 13.543 1.00 0.00 N ATOM 0 H LYS A 113 85.468 13.853 10.690 1.00 0.00 H new ATOM 0 HA LYS A 113 83.918 13.082 8.478 1.00 0.00 H new ATOM 0 HB2 LYS A 113 83.214 14.724 10.986 1.00 0.00 H new ATOM 0 HB3 LYS A 113 82.047 13.837 10.026 1.00 0.00 H new ATOM 0 HG2 LYS A 113 83.564 11.741 10.450 1.00 0.00 H new ATOM 0 HG3 LYS A 113 84.336 12.705 11.694 1.00 0.00 H new ATOM 0 HD2 LYS A 113 81.505 13.047 12.046 1.00 0.00 H new ATOM 0 HD3 LYS A 113 81.767 11.333 11.797 1.00 0.00 H new ATOM 0 HE2 LYS A 113 83.465 12.965 13.761 1.00 0.00 H new ATOM 0 HE3 LYS A 113 81.993 12.150 14.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 83.442 10.408 14.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 83.116 10.195 12.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 84.531 10.996 13.324 1.00 0.00 H new ATOM 1675 N GLU A 114 84.184 16.323 8.652 1.00 0.00 N ATOM 1676 CA GLU A 114 83.882 17.559 7.885 1.00 0.00 C ATOM 1677 C GLU A 114 84.467 17.468 6.473 1.00 0.00 C ATOM 1678 O GLU A 114 83.852 17.874 5.507 1.00 0.00 O ATOM 1679 CB GLU A 114 84.548 18.688 8.673 1.00 0.00 C ATOM 1680 CG GLU A 114 83.706 19.960 8.555 1.00 0.00 C ATOM 1681 CD GLU A 114 83.635 20.393 7.090 1.00 0.00 C ATOM 1682 OE1 GLU A 114 84.620 20.923 6.600 1.00 0.00 O ATOM 1683 OE2 GLU A 114 82.598 20.188 6.481 1.00 0.00 O ATOM 0 H GLU A 114 84.809 16.450 9.448 1.00 0.00 H new ATOM 0 HA GLU A 114 82.810 17.720 7.770 1.00 0.00 H new ATOM 0 HB2 GLU A 114 84.651 18.403 9.720 1.00 0.00 H new ATOM 0 HB3 GLU A 114 85.553 18.868 8.292 1.00 0.00 H new ATOM 0 HG2 GLU A 114 82.702 19.781 8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 114 84.143 20.755 9.159 1.00 0.00 H new ATOM 1690 N HIS A 115 85.653 16.942 6.349 1.00 0.00 N ATOM 1691 CA HIS A 115 86.283 16.827 5.002 1.00 0.00 C ATOM 1692 C HIS A 115 85.541 15.794 4.148 1.00 0.00 C ATOM 1693 O HIS A 115 85.849 15.601 2.988 1.00 0.00 O ATOM 1694 CB HIS A 115 87.714 16.373 5.281 1.00 0.00 C ATOM 1695 CG HIS A 115 88.583 17.577 5.515 1.00 0.00 C ATOM 1696 ND1 HIS A 115 89.967 17.497 5.544 1.00 0.00 N ATOM 1697 CD2 HIS A 115 88.280 18.898 5.734 1.00 0.00 C ATOM 1698 CE1 HIS A 115 90.440 18.735 5.773 1.00 0.00 C ATOM 1699 NE2 HIS A 115 89.454 19.628 5.898 1.00 0.00 N ATOM 0 H HIS A 115 86.215 16.586 7.122 1.00 0.00 H new ATOM 0 HA HIS A 115 86.251 17.765 4.448 1.00 0.00 H new ATOM 0 HB2 HIS A 115 87.736 15.720 6.153 1.00 0.00 H new ATOM 0 HB3 HIS A 115 88.094 15.794 4.439 1.00 0.00 H new ATOM 0 HD2 HIS A 115 87.282 19.309 5.773 1.00 0.00 H new ATOM 0 HE1 HIS A 115 91.490 18.978 5.847 1.00 0.00 H new ATOM 0 HE2 HIS A 115 89.542 20.629 6.075 1.00 0.00 H new ATOM 1707 N LYS A 116 84.568 15.130 4.708 1.00 0.00 N ATOM 1708 CA LYS A 116 83.811 14.116 3.934 1.00 0.00 C ATOM 1709 C LYS A 116 83.134 14.763 2.722 1.00 0.00 C ATOM 1710 O LYS A 116 82.606 15.855 2.801 1.00 0.00 O ATOM 1711 CB LYS A 116 82.769 13.604 4.923 1.00 0.00 C ATOM 1712 CG LYS A 116 82.346 12.196 4.530 1.00 0.00 C ATOM 1713 CD LYS A 116 80.844 12.028 4.772 1.00 0.00 C ATOM 1714 CE LYS A 116 80.614 10.960 5.844 1.00 0.00 C ATOM 1715 NZ LYS A 116 81.110 11.573 7.107 1.00 0.00 N ATOM 0 H LYS A 116 84.266 15.250 5.675 1.00 0.00 H new ATOM 0 HA LYS A 116 84.446 13.321 3.543 1.00 0.00 H new ATOM 0 HB2 LYS A 116 83.180 13.603 5.933 1.00 0.00 H new ATOM 0 HB3 LYS A 116 81.903 14.266 4.931 1.00 0.00 H new ATOM 0 HG2 LYS A 116 82.579 12.014 3.481 1.00 0.00 H new ATOM 0 HG3 LYS A 116 82.903 11.462 5.112 1.00 0.00 H new ATOM 0 HD2 LYS A 116 80.408 12.976 5.089 1.00 0.00 H new ATOM 0 HD3 LYS A 116 80.346 11.742 3.846 1.00 0.00 H new ATOM 0 HE2 LYS A 116 79.559 10.697 5.920 1.00 0.00 H new ATOM 0 HE3 LYS A 116 81.155 10.043 5.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 80.709 11.064 7.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 82.148 11.512 7.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 80.820 12.571 7.146 1.00 0.00 H new ATOM 1729 N ASN A 117 83.141 14.093 1.602 1.00 0.00 N ATOM 1730 CA ASN A 117 82.495 14.660 0.385 1.00 0.00 C ATOM 1731 C ASN A 117 83.002 16.081 0.121 1.00 0.00 C ATOM 1732 O ASN A 117 82.233 17.018 0.035 1.00 0.00 O ATOM 1733 CB ASN A 117 80.999 14.671 0.704 1.00 0.00 C ATOM 1734 CG ASN A 117 80.597 13.320 1.301 1.00 0.00 C ATOM 1735 OD1 ASN A 117 81.394 12.405 1.349 1.00 0.00 O ATOM 1736 ND2 ASN A 117 79.386 13.156 1.761 1.00 0.00 N ATOM 0 H ASN A 117 83.568 13.175 1.477 1.00 0.00 H new ATOM 0 HA ASN A 117 82.719 14.079 -0.509 1.00 0.00 H new ATOM 0 HB2 ASN A 117 80.771 15.473 1.406 1.00 0.00 H new ATOM 0 HB3 ASN A 117 80.424 14.867 -0.201 1.00 0.00 H new ATOM 0 HD21 ASN A 117 79.109 12.259 2.161 1.00 0.00 H new ATOM 0 HD22 ASN A 117 78.717 13.925 1.721 1.00 0.00 H new ATOM 1743 N LEU A 118 84.289 16.248 -0.009 1.00 0.00 N ATOM 1744 CA LEU A 118 84.850 17.578 -0.264 1.00 0.00 C ATOM 1745 C LEU A 118 84.750 17.895 -1.758 1.00 0.00 C ATOM 1746 O LEU A 118 84.408 17.051 -2.563 1.00 0.00 O ATOM 1747 CB LEU A 118 86.297 17.424 0.200 1.00 0.00 C ATOM 1748 CG LEU A 118 87.205 18.423 -0.494 1.00 0.00 C ATOM 1749 CD1 LEU A 118 86.986 19.820 0.091 1.00 0.00 C ATOM 1750 CD2 LEU A 118 88.664 18.014 -0.284 1.00 0.00 C ATOM 0 H LEU A 118 84.977 15.498 0.054 1.00 0.00 H new ATOM 0 HA LEU A 118 84.340 18.396 0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 118 86.353 17.566 1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 118 86.642 16.411 -0.006 1.00 0.00 H new ATOM 0 HG LEU A 118 86.973 18.437 -1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 118 87.641 20.532 -0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 118 85.947 20.117 -0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 118 87.214 19.808 1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 118 89.318 18.730 -0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 118 88.888 17.999 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 118 88.828 17.021 -0.703 1.00 0.00 H new ATOM 1762 N ASP A 119 85.042 19.101 -2.128 1.00 0.00 N ATOM 1763 CA ASP A 119 84.964 19.490 -3.567 1.00 0.00 C ATOM 1764 C ASP A 119 86.338 19.372 -4.232 1.00 0.00 C ATOM 1765 O ASP A 119 87.317 19.908 -3.754 1.00 0.00 O ATOM 1766 CB ASP A 119 84.499 20.947 -3.557 1.00 0.00 C ATOM 1767 CG ASP A 119 84.193 21.396 -4.986 1.00 0.00 C ATOM 1768 OD1 ASP A 119 84.873 20.937 -5.889 1.00 0.00 O ATOM 1769 OD2 ASP A 119 83.283 22.192 -5.154 1.00 0.00 O ATOM 0 H ASP A 119 85.335 19.846 -1.495 1.00 0.00 H new ATOM 0 HA ASP A 119 84.288 18.846 -4.129 1.00 0.00 H new ATOM 0 HB2 ASP A 119 83.611 21.052 -2.934 1.00 0.00 H new ATOM 0 HB3 ASP A 119 85.270 21.583 -3.122 1.00 0.00 H new ATOM 1774 N LYS A 120 86.415 18.680 -5.337 1.00 0.00 N ATOM 1775 CA LYS A 120 87.720 18.536 -6.037 1.00 0.00 C ATOM 1776 C LYS A 120 88.368 19.912 -6.217 1.00 0.00 C ATOM 1777 O LYS A 120 89.562 20.030 -6.404 1.00 0.00 O ATOM 1778 CB LYS A 120 87.378 17.921 -7.395 1.00 0.00 C ATOM 1779 CG LYS A 120 87.054 16.434 -7.223 1.00 0.00 C ATOM 1780 CD LYS A 120 86.710 15.823 -8.584 1.00 0.00 C ATOM 1781 CE LYS A 120 85.385 15.064 -8.487 1.00 0.00 C ATOM 1782 NZ LYS A 120 85.622 13.779 -9.202 1.00 0.00 N ATOM 0 H LYS A 120 85.629 18.209 -5.784 1.00 0.00 H new ATOM 0 HA LYS A 120 88.425 17.919 -5.480 1.00 0.00 H new ATOM 0 HB2 LYS A 120 86.527 18.440 -7.836 1.00 0.00 H new ATOM 0 HB3 LYS A 120 88.216 18.043 -8.081 1.00 0.00 H new ATOM 0 HG2 LYS A 120 87.906 15.914 -6.784 1.00 0.00 H new ATOM 0 HG3 LYS A 120 86.217 16.311 -6.536 1.00 0.00 H new ATOM 0 HD2 LYS A 120 86.637 16.607 -9.338 1.00 0.00 H new ATOM 0 HD3 LYS A 120 87.505 15.148 -8.902 1.00 0.00 H new ATOM 0 HE2 LYS A 120 85.105 14.891 -7.448 1.00 0.00 H new ATOM 0 HE3 LYS A 120 84.573 15.627 -8.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 84.756 13.203 -9.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 85.880 13.974 -10.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 86.395 13.261 -8.738 1.00 0.00 H new ATOM 1796 N LYS A 121 87.582 20.953 -6.165 1.00 0.00 N ATOM 1797 CA LYS A 121 88.139 22.329 -6.336 1.00 0.00 C ATOM 1798 C LYS A 121 89.132 22.648 -5.224 1.00 0.00 C ATOM 1799 O LYS A 121 89.892 23.593 -5.299 1.00 0.00 O ATOM 1800 CB LYS A 121 86.933 23.247 -6.237 1.00 0.00 C ATOM 1801 CG LYS A 121 86.490 23.650 -7.638 1.00 0.00 C ATOM 1802 CD LYS A 121 87.612 24.432 -8.324 1.00 0.00 C ATOM 1803 CE LYS A 121 88.077 23.674 -9.569 1.00 0.00 C ATOM 1804 NZ LYS A 121 87.969 24.658 -10.681 1.00 0.00 N ATOM 0 H LYS A 121 86.575 20.911 -6.011 1.00 0.00 H new ATOM 0 HA LYS A 121 88.674 22.440 -7.279 1.00 0.00 H new ATOM 0 HB2 LYS A 121 86.119 22.742 -5.717 1.00 0.00 H new ATOM 0 HB3 LYS A 121 87.183 24.133 -5.653 1.00 0.00 H new ATOM 0 HG2 LYS A 121 86.241 22.763 -8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 121 85.588 24.260 -7.584 1.00 0.00 H new ATOM 0 HD2 LYS A 121 87.260 25.426 -8.601 1.00 0.00 H new ATOM 0 HD3 LYS A 121 88.447 24.570 -7.636 1.00 0.00 H new ATOM 0 HE2 LYS A 121 89.101 23.318 -9.455 1.00 0.00 H new ATOM 0 HE3 LYS A 121 87.454 22.799 -9.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 88.271 24.211 -11.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 86.982 24.974 -10.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 88.578 25.477 -10.480 1.00 0.00 H new ATOM 1818 N ASN A 122 89.145 21.846 -4.214 1.00 0.00 N ATOM 1819 CA ASN A 122 90.103 22.055 -3.096 1.00 0.00 C ATOM 1820 C ASN A 122 91.331 21.197 -3.360 1.00 0.00 C ATOM 1821 O ASN A 122 92.350 21.306 -2.708 1.00 0.00 O ATOM 1822 CB ASN A 122 89.376 21.561 -1.852 1.00 0.00 C ATOM 1823 CG ASN A 122 88.636 22.723 -1.188 1.00 0.00 C ATOM 1824 OD1 ASN A 122 89.035 23.193 -0.141 1.00 0.00 O ATOM 1825 ND2 ASN A 122 87.565 23.210 -1.753 1.00 0.00 N ATOM 0 H ASN A 122 88.527 21.041 -4.107 1.00 0.00 H new ATOM 0 HA ASN A 122 90.420 23.092 -2.986 1.00 0.00 H new ATOM 0 HB2 ASN A 122 88.671 20.775 -2.120 1.00 0.00 H new ATOM 0 HB3 ASN A 122 90.089 21.125 -1.152 1.00 0.00 H new ATOM 0 HD21 ASN A 122 87.065 23.984 -1.316 1.00 0.00 H new ATOM 0 HD22 ASN A 122 87.228 22.817 -2.632 1.00 0.00 H new ATOM 1832 N CYS A 123 91.210 20.337 -4.323 1.00 0.00 N ATOM 1833 CA CYS A 123 92.321 19.429 -4.686 1.00 0.00 C ATOM 1834 C CYS A 123 93.128 20.009 -5.852 1.00 0.00 C ATOM 1835 O CYS A 123 92.992 19.499 -6.951 1.00 0.00 O ATOM 1836 CB CYS A 123 91.607 18.149 -5.101 1.00 0.00 C ATOM 1837 SG CYS A 123 91.439 17.052 -3.671 1.00 0.00 S ATOM 1838 OXT CYS A 123 93.865 20.954 -5.624 1.00 0.00 O ATOM 0 H CYS A 123 90.367 20.223 -4.887 1.00 0.00 H new ATOM 0 HA CYS A 123 93.033 19.273 -3.876 1.00 0.00 H new ATOM 0 HB2 CYS A 123 90.624 18.385 -5.508 1.00 0.00 H new ATOM 0 HB3 CYS A 123 92.167 17.649 -5.891 1.00 0.00 H new