USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 970 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 112 GLN : amide:sc= 0.0755 K(o=0.0073,f=-1.4) USER MOD Set 1.2: A 116 LYS NZ :NH3+ -179:sc= -0.0682 (180deg=-0.149) USER MOD Set 2.1: A 81 THR OG1 : rot -56:sc= 1.05 USER MOD Set 2.2: A 83 THR OG1 : rot 115:sc= 0.103 USER MOD Set 2.3: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 17 TYR OH : rot -56:sc= 0.61 USER MOD Set 3.2: A 67 ASN : amide:sc= 0.518 K(o=-0.34,f=-5!) USER MOD Set 3.3: A 75 HIS : no HD1:sc= -1.46 K(o=-0.34,f=-6.2!) USER MOD Set 4.1: A 40 GLN : amide:sc= 0 X(o=-0.042,f=0) USER MOD Set 4.2: A 41 ASN : amide:sc= -0.0421 X(o=-0.042,f=0) USER MOD Set 5.1: A 33 SER OG : rot 180:sc= 0.0794 USER MOD Set 5.2: A 124 SER OG : rot 161:sc= 0.0784 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.101 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -19:sc= 0.727 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -170:sc= -0.156 USER MOD Single : A 8 MET CE :methyl 150:sc= -0.321 (180deg=-1.33!) USER MOD Single : A 10 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0679) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 6:sc= 1.15 USER MOD Single : A 19 SER OG : rot -166:sc= -0.83 USER MOD Single : A 22 ASN : amide:sc= -1.69! K(o=-1.7!,f=-1.1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -3.97! K(o=-4!,f=-1.5) USER MOD Single : A 28 TYR OH : rot -170:sc= -0.639 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.204 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -109:sc= 0.0199 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -37:sc= 0.619 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0.0976 K(o=0.098,f=-0.45) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -1.13 K(o=-1.1,f=-4.3!) USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl 179:sc= -2.75 (180deg=-2.8) USER MOD Single : A 91 ASN : amide:sc= -1.36! C(o=-1.4!,f=-7.8!) USER MOD Single : A 92 ASN : amide:sc= -7.43! C(o=-7.4!,f=-8.5!) USER MOD Single : A 95 SER OG : rot 160:sc= 0 USER MOD Single : A 96 SER OG : rot -45:sc= 0.216 USER MOD Single : A 97 HIS : no HD1:sc= -0.393 X(o=-0.39,f=0.002) USER MOD Single : A 98 ASN : amide:sc= -0.209 K(o=-0.21,f=-1.3) USER MOD Single : A 104 THR OG1 : rot -39:sc= 0.248 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -6.96! C(o=-7!,f=-9.5!) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= -0.0791 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.214 8.707 4.365 1.00 0.00 N ATOM 2 CA GLY A 1 -20.343 9.166 5.153 1.00 0.00 C ATOM 3 C GLY A 1 -20.276 10.650 5.452 1.00 0.00 C ATOM 4 O GLY A 1 -19.369 11.343 4.992 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.558 8.290 3.477 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.590 9.511 4.151 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.684 7.991 4.902 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.268 8.948 4.619 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.378 8.611 6.090 1.00 0.00 H new ATOM 8 N SER A 2 -21.241 11.141 6.224 1.00 0.00 N ATOM 9 CA SER A 2 -21.291 12.554 6.579 1.00 0.00 C ATOM 10 C SER A 2 -19.904 13.070 6.953 1.00 0.00 C ATOM 11 O SER A 2 -19.358 12.713 7.997 1.00 0.00 O ATOM 12 CB SER A 2 -22.260 12.776 7.742 1.00 0.00 C ATOM 13 OG SER A 2 -23.603 12.790 7.290 1.00 0.00 O ATOM 0 H SER A 2 -21.998 10.581 6.615 1.00 0.00 H new ATOM 0 HA SER A 2 -21.644 13.109 5.710 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.130 11.987 8.483 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.029 13.719 8.237 1.00 0.00 H new ATOM 0 HG SER A 2 -24.203 12.932 8.052 1.00 0.00 H new ATOM 19 N SER A 3 -19.341 13.912 6.093 1.00 0.00 N ATOM 20 CA SER A 3 -18.017 14.475 6.330 1.00 0.00 C ATOM 21 C SER A 3 -17.040 13.394 6.782 1.00 0.00 C ATOM 22 O SER A 3 -16.275 13.587 7.726 1.00 0.00 O ATOM 23 CB SER A 3 -18.091 15.583 7.382 1.00 0.00 C ATOM 24 OG SER A 3 -18.230 15.042 8.684 1.00 0.00 O ATOM 0 H SER A 3 -19.781 14.220 5.226 1.00 0.00 H new ATOM 0 HA SER A 3 -17.656 14.898 5.392 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.191 16.195 7.334 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.934 16.239 7.165 1.00 0.00 H new ATOM 0 HG SER A 3 -18.554 14.119 8.622 1.00 0.00 H new ATOM 30 N GLY A 4 -17.073 12.253 6.100 1.00 0.00 N ATOM 31 CA GLY A 4 -16.186 11.157 6.445 1.00 0.00 C ATOM 32 C GLY A 4 -15.118 10.923 5.396 1.00 0.00 C ATOM 33 O GLY A 4 -15.364 10.264 4.386 1.00 0.00 O ATOM 0 H GLY A 4 -17.698 12.068 5.315 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.710 11.367 7.403 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.771 10.246 6.572 1.00 0.00 H new ATOM 37 N SER A 5 -13.928 11.465 5.634 1.00 0.00 N ATOM 38 CA SER A 5 -12.819 11.316 4.699 1.00 0.00 C ATOM 39 C SER A 5 -11.882 10.197 5.141 1.00 0.00 C ATOM 40 O SER A 5 -12.041 9.629 6.222 1.00 0.00 O ATOM 41 CB SER A 5 -12.043 12.630 4.583 1.00 0.00 C ATOM 42 OG SER A 5 -12.836 13.639 3.983 1.00 0.00 O ATOM 0 H SER A 5 -13.707 12.011 6.467 1.00 0.00 H new ATOM 0 HA SER A 5 -13.231 11.057 3.724 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.723 12.955 5.573 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.141 12.472 3.992 1.00 0.00 H new ATOM 0 HG SER A 5 -12.318 14.469 3.922 1.00 0.00 H new ATOM 48 N SER A 6 -10.904 9.884 4.297 1.00 0.00 N ATOM 49 CA SER A 6 -9.943 8.829 4.597 1.00 0.00 C ATOM 50 C SER A 6 -8.599 9.421 5.011 1.00 0.00 C ATOM 51 O SER A 6 -8.445 10.639 5.101 1.00 0.00 O ATOM 52 CB SER A 6 -9.758 7.917 3.383 1.00 0.00 C ATOM 53 OG SER A 6 -10.705 6.863 3.389 1.00 0.00 O ATOM 0 H SER A 6 -10.756 10.346 3.400 1.00 0.00 H new ATOM 0 HA SER A 6 -10.334 8.241 5.428 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.863 8.499 2.467 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.749 7.504 3.385 1.00 0.00 H new ATOM 0 HG SER A 6 -10.471 6.209 2.698 1.00 0.00 H new ATOM 59 N GLY A 7 -7.627 8.549 5.263 1.00 0.00 N ATOM 60 CA GLY A 7 -6.309 9.003 5.665 1.00 0.00 C ATOM 61 C GLY A 7 -6.027 8.740 7.131 1.00 0.00 C ATOM 62 O GLY A 7 -6.194 9.625 7.970 1.00 0.00 O ATOM 0 H GLY A 7 -7.729 7.536 5.196 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.555 8.502 5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.220 10.071 5.467 1.00 0.00 H new ATOM 66 N MET A 8 -5.601 7.520 7.441 1.00 0.00 N ATOM 67 CA MET A 8 -5.296 7.144 8.816 1.00 0.00 C ATOM 68 C MET A 8 -4.076 6.230 8.872 1.00 0.00 C ATOM 69 O MET A 8 -3.792 5.498 7.925 1.00 0.00 O ATOM 70 CB MET A 8 -6.499 6.448 9.455 1.00 0.00 C ATOM 71 CG MET A 8 -6.892 5.154 8.761 1.00 0.00 C ATOM 72 SD MET A 8 -8.575 4.640 9.151 1.00 0.00 S ATOM 73 CE MET A 8 -9.511 6.021 8.499 1.00 0.00 C ATOM 0 H MET A 8 -5.459 6.775 6.759 1.00 0.00 H new ATOM 0 HA MET A 8 -5.072 8.053 9.374 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.273 6.236 10.500 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.350 7.129 9.445 1.00 0.00 H new ATOM 0 HG2 MET A 8 -6.796 5.281 7.683 1.00 0.00 H new ATOM 0 HG3 MET A 8 -6.199 4.365 9.052 1.00 0.00 H new ATOM 0 HE1 MET A 8 -10.491 5.674 8.170 1.00 0.00 H new ATOM 0 HE2 MET A 8 -9.635 6.776 9.276 1.00 0.00 H new ATOM 0 HE3 MET A 8 -8.978 6.455 7.653 1.00 0.00 H new ATOM 83 N VAL A 9 -3.356 6.279 9.989 1.00 0.00 N ATOM 84 CA VAL A 9 -2.167 5.455 10.169 1.00 0.00 C ATOM 85 C VAL A 9 -2.519 3.972 10.159 1.00 0.00 C ATOM 86 O VAL A 9 -2.837 3.391 11.197 1.00 0.00 O ATOM 87 CB VAL A 9 -1.445 5.792 11.487 1.00 0.00 C ATOM 88 CG1 VAL A 9 -0.895 7.210 11.448 1.00 0.00 C ATOM 89 CG2 VAL A 9 -2.383 5.607 12.670 1.00 0.00 C ATOM 0 H VAL A 9 -3.576 6.881 10.783 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.502 5.672 9.333 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.606 5.107 11.607 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.388 7.430 12.388 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.188 7.303 10.624 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.714 7.914 11.304 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.857 5.849 13.593 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.243 6.267 12.559 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.722 4.572 12.707 1.00 0.00 H new ATOM 99 N LYS A 10 -2.461 3.363 8.980 1.00 0.00 N ATOM 100 CA LYS A 10 -2.772 1.946 8.833 1.00 0.00 C ATOM 101 C LYS A 10 -1.542 1.163 8.383 1.00 0.00 C ATOM 102 O LYS A 10 -0.940 1.474 7.357 1.00 0.00 O ATOM 103 CB LYS A 10 -3.909 1.754 7.828 1.00 0.00 C ATOM 104 CG LYS A 10 -4.385 0.316 7.716 1.00 0.00 C ATOM 105 CD LYS A 10 -5.473 0.169 6.666 1.00 0.00 C ATOM 106 CE LYS A 10 -5.692 -1.289 6.290 1.00 0.00 C ATOM 107 NZ LYS A 10 -6.024 -2.124 7.477 1.00 0.00 N ATOM 0 H LYS A 10 -2.201 3.829 8.111 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.087 1.566 9.805 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.749 2.385 8.118 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.578 2.096 6.847 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.543 -0.328 7.462 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.763 -0.020 8.682 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.404 0.592 7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.201 0.738 5.777 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.498 -1.359 5.560 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.794 -1.679 5.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.330 -3.067 7.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.183 -2.217 8.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.791 -1.672 8.016 1.00 0.00 H new ATOM 121 N GLU A 11 -1.178 0.145 9.157 1.00 0.00 N ATOM 122 CA GLU A 11 -0.021 -0.682 8.836 1.00 0.00 C ATOM 123 C GLU A 11 -0.447 -2.111 8.513 1.00 0.00 C ATOM 124 O GLU A 11 -1.585 -2.504 8.766 1.00 0.00 O ATOM 125 CB GLU A 11 0.971 -0.685 10.001 1.00 0.00 C ATOM 126 CG GLU A 11 1.177 0.684 10.628 1.00 0.00 C ATOM 127 CD GLU A 11 1.983 0.622 11.911 1.00 0.00 C ATOM 128 OE1 GLU A 11 1.478 0.058 12.903 1.00 0.00 O ATOM 129 OE2 GLU A 11 3.120 1.139 11.922 1.00 0.00 O ATOM 0 H GLU A 11 -1.667 -0.126 10.010 1.00 0.00 H new ATOM 0 HA GLU A 11 0.464 -0.258 7.957 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.618 -1.376 10.766 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.931 -1.062 9.649 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.685 1.333 9.915 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.206 1.135 10.834 1.00 0.00 H new ATOM 136 N GLY A 12 0.477 -2.885 7.950 1.00 0.00 N ATOM 137 CA GLY A 12 0.178 -4.262 7.601 1.00 0.00 C ATOM 138 C GLY A 12 1.180 -4.841 6.621 1.00 0.00 C ATOM 139 O GLY A 12 1.733 -4.121 5.791 1.00 0.00 O ATOM 0 H GLY A 12 1.426 -2.583 7.730 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.167 -4.869 8.506 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.821 -4.316 7.169 1.00 0.00 H new ATOM 143 N TRP A 13 1.414 -6.145 6.719 1.00 0.00 N ATOM 144 CA TRP A 13 2.357 -6.820 5.835 1.00 0.00 C ATOM 145 C TRP A 13 1.686 -7.218 4.525 1.00 0.00 C ATOM 146 O TRP A 13 0.709 -7.966 4.520 1.00 0.00 O ATOM 147 CB TRP A 13 2.936 -8.057 6.523 1.00 0.00 C ATOM 148 CG TRP A 13 3.946 -7.731 7.581 1.00 0.00 C ATOM 149 CD1 TRP A 13 3.698 -7.465 8.897 1.00 0.00 C ATOM 150 CD2 TRP A 13 5.364 -7.635 7.411 1.00 0.00 C ATOM 151 NE1 TRP A 13 4.876 -7.209 9.556 1.00 0.00 N ATOM 152 CE2 TRP A 13 5.913 -7.308 8.666 1.00 0.00 C ATOM 153 CE3 TRP A 13 6.224 -7.795 6.321 1.00 0.00 C ATOM 154 CZ2 TRP A 13 7.282 -7.137 8.858 1.00 0.00 C ATOM 155 CZ3 TRP A 13 7.582 -7.625 6.513 1.00 0.00 C ATOM 156 CH2 TRP A 13 8.100 -7.300 7.774 1.00 0.00 C ATOM 0 H TRP A 13 0.964 -6.755 7.401 1.00 0.00 H new ATOM 0 HA TRP A 13 3.167 -6.126 5.610 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.123 -8.629 6.971 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.400 -8.697 5.773 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.719 -7.457 9.353 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.964 -6.982 10.547 1.00 0.00 H new ATOM 0 HE3 TRP A 13 5.834 -8.047 5.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 7.683 -6.885 9.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 8.255 -7.745 5.677 1.00 0.00 H new ATOM 0 HH2 TRP A 13 9.166 -7.176 7.892 1.00 0.00 H new ATOM 167 N MET A 14 2.217 -6.713 3.416 1.00 0.00 N ATOM 168 CA MET A 14 1.669 -7.019 2.100 1.00 0.00 C ATOM 169 C MET A 14 2.781 -7.378 1.118 1.00 0.00 C ATOM 170 O MET A 14 3.938 -7.007 1.313 1.00 0.00 O ATOM 171 CB MET A 14 0.869 -5.828 1.568 1.00 0.00 C ATOM 172 CG MET A 14 0.098 -6.134 0.294 1.00 0.00 C ATOM 173 SD MET A 14 -1.105 -7.460 0.512 1.00 0.00 S ATOM 174 CE MET A 14 -2.564 -6.523 0.960 1.00 0.00 C ATOM 0 H MET A 14 3.025 -6.091 3.403 1.00 0.00 H new ATOM 0 HA MET A 14 1.006 -7.878 2.201 1.00 0.00 H new ATOM 0 HB2 MET A 14 0.169 -5.499 2.336 1.00 0.00 H new ATOM 0 HB3 MET A 14 1.550 -4.998 1.380 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.417 -5.233 -0.040 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.799 -6.411 -0.493 1.00 0.00 H new ATOM 0 HE1 MET A 14 -3.397 -7.205 1.128 1.00 0.00 H new ATOM 0 HE2 MET A 14 -2.368 -5.958 1.871 1.00 0.00 H new ATOM 0 HE3 MET A 14 -2.816 -5.834 0.154 1.00 0.00 H new ATOM 184 N VAL A 15 2.421 -8.103 0.064 1.00 0.00 N ATOM 185 CA VAL A 15 3.388 -8.512 -0.948 1.00 0.00 C ATOM 186 C VAL A 15 3.121 -7.813 -2.277 1.00 0.00 C ATOM 187 O VAL A 15 1.970 -7.632 -2.676 1.00 0.00 O ATOM 188 CB VAL A 15 3.360 -10.036 -1.168 1.00 0.00 C ATOM 189 CG1 VAL A 15 3.710 -10.767 0.119 1.00 0.00 C ATOM 190 CG2 VAL A 15 1.999 -10.474 -1.687 1.00 0.00 C ATOM 0 H VAL A 15 1.467 -8.419 -0.111 1.00 0.00 H new ATOM 0 HA VAL A 15 4.373 -8.224 -0.580 1.00 0.00 H new ATOM 0 HB VAL A 15 4.108 -10.292 -1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.685 -11.843 -0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.709 -10.475 0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.987 -10.508 0.893 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.997 -11.554 -1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.230 -10.207 -0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.793 -9.976 -2.634 1.00 0.00 H new ATOM 200 N HIS A 16 4.193 -7.422 -2.959 1.00 0.00 N ATOM 201 CA HIS A 16 4.075 -6.744 -4.245 1.00 0.00 C ATOM 202 C HIS A 16 5.299 -7.013 -5.116 1.00 0.00 C ATOM 203 O HIS A 16 6.325 -7.490 -4.631 1.00 0.00 O ATOM 204 CB HIS A 16 3.904 -5.239 -4.037 1.00 0.00 C ATOM 205 CG HIS A 16 5.200 -4.504 -3.886 1.00 0.00 C ATOM 206 ND1 HIS A 16 6.046 -4.682 -2.811 1.00 0.00 N ATOM 207 CD2 HIS A 16 5.795 -3.585 -4.682 1.00 0.00 C ATOM 208 CE1 HIS A 16 7.104 -3.904 -2.952 1.00 0.00 C ATOM 209 NE2 HIS A 16 6.976 -3.228 -4.079 1.00 0.00 N ATOM 0 H HIS A 16 5.152 -7.563 -2.643 1.00 0.00 H new ATOM 0 HA HIS A 16 3.195 -7.136 -4.755 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.357 -4.824 -4.883 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.295 -5.070 -3.149 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.412 -3.204 -5.617 1.00 0.00 H new ATOM 0 HE1 HIS A 16 7.933 -3.833 -2.263 1.00 0.00 H new ATOM 0 HE2 HIS A 16 7.646 -2.550 -4.443 1.00 0.00 H new ATOM 218 N TYR A 17 5.182 -6.705 -6.402 1.00 0.00 N ATOM 219 CA TYR A 17 6.278 -6.917 -7.341 1.00 0.00 C ATOM 220 C TYR A 17 6.304 -5.822 -8.404 1.00 0.00 C ATOM 221 O TYR A 17 5.268 -5.262 -8.761 1.00 0.00 O ATOM 222 CB TYR A 17 6.148 -8.287 -8.008 1.00 0.00 C ATOM 223 CG TYR A 17 4.880 -8.450 -8.816 1.00 0.00 C ATOM 224 CD1 TYR A 17 4.772 -7.912 -10.093 1.00 0.00 C ATOM 225 CD2 TYR A 17 3.790 -9.142 -8.303 1.00 0.00 C ATOM 226 CE1 TYR A 17 3.616 -8.057 -10.834 1.00 0.00 C ATOM 227 CE2 TYR A 17 2.629 -9.293 -9.037 1.00 0.00 C ATOM 228 CZ TYR A 17 2.547 -8.749 -10.302 1.00 0.00 C ATOM 229 OH TYR A 17 1.394 -8.897 -11.037 1.00 0.00 O ATOM 0 H TYR A 17 4.340 -6.308 -6.819 1.00 0.00 H new ATOM 0 HA TYR A 17 7.213 -6.879 -6.783 1.00 0.00 H new ATOM 0 HB2 TYR A 17 7.007 -8.447 -8.660 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.181 -9.060 -7.240 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.607 -7.371 -10.513 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.851 -9.569 -7.313 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.549 -7.631 -11.824 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.791 -9.834 -8.623 1.00 0.00 H new ATOM 0 HH TYR A 17 1.061 -8.015 -11.304 1.00 0.00 H new ATOM 239 N THR A 18 7.498 -5.523 -8.906 1.00 0.00 N ATOM 240 CA THR A 18 7.663 -4.496 -9.926 1.00 0.00 C ATOM 241 C THR A 18 7.455 -5.071 -11.323 1.00 0.00 C ATOM 242 O THR A 18 7.382 -6.287 -11.499 1.00 0.00 O ATOM 243 CB THR A 18 9.058 -3.848 -9.852 1.00 0.00 C ATOM 244 OG1 THR A 18 10.071 -4.855 -9.945 1.00 0.00 O ATOM 245 CG2 THR A 18 9.226 -3.071 -8.555 1.00 0.00 C ATOM 0 H THR A 18 8.365 -5.978 -8.622 1.00 0.00 H new ATOM 0 HA THR A 18 6.907 -3.735 -9.733 1.00 0.00 H new ATOM 0 HB THR A 18 9.157 -3.155 -10.687 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.654 -5.723 -10.125 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.219 -2.622 -8.526 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.472 -2.286 -8.501 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.108 -3.747 -7.708 1.00 0.00 H new ATOM 253 N SER A 19 7.363 -4.189 -12.313 1.00 0.00 N ATOM 254 CA SER A 19 7.161 -4.609 -13.695 1.00 0.00 C ATOM 255 C SER A 19 8.415 -5.279 -14.248 1.00 0.00 C ATOM 256 O SER A 19 8.390 -6.448 -14.632 1.00 0.00 O ATOM 257 CB SER A 19 6.784 -3.409 -14.565 1.00 0.00 C ATOM 258 OG SER A 19 5.379 -3.227 -14.602 1.00 0.00 O ATOM 0 H SER A 19 7.425 -3.179 -12.184 1.00 0.00 H new ATOM 0 HA SER A 19 6.346 -5.332 -13.714 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.260 -2.509 -14.175 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.161 -3.557 -15.577 1.00 0.00 H new ATOM 0 HG SER A 19 5.148 -2.608 -15.326 1.00 0.00 H new ATOM 264 N ARG A 20 9.511 -4.528 -14.284 1.00 0.00 N ATOM 265 CA ARG A 20 10.776 -5.048 -14.791 1.00 0.00 C ATOM 266 C ARG A 20 11.072 -6.425 -14.204 1.00 0.00 C ATOM 267 O ARG A 20 11.384 -7.367 -14.933 1.00 0.00 O ATOM 268 CB ARG A 20 11.917 -4.084 -14.460 1.00 0.00 C ATOM 269 CG ARG A 20 12.018 -2.907 -15.417 1.00 0.00 C ATOM 270 CD ARG A 20 13.304 -2.125 -15.204 1.00 0.00 C ATOM 271 NE ARG A 20 13.166 -1.120 -14.153 1.00 0.00 N ATOM 272 CZ ARG A 20 13.328 -1.382 -12.861 1.00 0.00 C ATOM 273 NH1 ARG A 20 13.632 -2.609 -12.462 1.00 0.00 N ATOM 274 NH2 ARG A 20 13.185 -0.414 -11.964 1.00 0.00 N ATOM 0 H ARG A 20 9.549 -3.559 -13.969 1.00 0.00 H new ATOM 0 HA ARG A 20 10.693 -5.144 -15.874 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.780 -3.707 -13.447 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.859 -4.632 -14.471 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.976 -3.268 -16.445 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.162 -2.247 -15.276 1.00 0.00 H new ATOM 0 HD2 ARG A 20 14.108 -2.813 -14.944 1.00 0.00 H new ATOM 0 HD3 ARG A 20 13.591 -1.638 -16.136 1.00 0.00 H new ATOM 0 HE ARG A 20 12.933 -0.165 -14.426 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.742 -3.356 -13.148 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.756 -2.806 -11.469 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.951 0.531 -12.267 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.309 -0.616 -10.972 1.00 0.00 H new ATOM 288 N ASP A 21 10.974 -6.533 -12.884 1.00 0.00 N ATOM 289 CA ASP A 21 11.231 -7.795 -12.199 1.00 0.00 C ATOM 290 C ASP A 21 10.062 -8.169 -11.293 1.00 0.00 C ATOM 291 O ASP A 21 9.712 -7.426 -10.377 1.00 0.00 O ATOM 292 CB ASP A 21 12.519 -7.701 -11.379 1.00 0.00 C ATOM 293 CG ASP A 21 13.190 -9.049 -11.201 1.00 0.00 C ATOM 294 OD1 ASP A 21 12.474 -10.071 -11.186 1.00 0.00 O ATOM 295 OD2 ASP A 21 14.433 -9.081 -11.076 1.00 0.00 O ATOM 0 H ASP A 21 10.719 -5.762 -12.267 1.00 0.00 H new ATOM 0 HA ASP A 21 11.346 -8.573 -12.953 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.210 -7.016 -11.870 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.293 -7.278 -10.400 1.00 0.00 H new ATOM 300 N ASN A 22 9.462 -9.325 -11.557 1.00 0.00 N ATOM 301 CA ASN A 22 8.331 -9.798 -10.766 1.00 0.00 C ATOM 302 C ASN A 22 8.809 -10.507 -9.503 1.00 0.00 C ATOM 303 O ASN A 22 8.471 -11.666 -9.262 1.00 0.00 O ATOM 304 CB ASN A 22 7.461 -10.743 -11.597 1.00 0.00 C ATOM 305 CG ASN A 22 7.054 -10.136 -12.926 1.00 0.00 C ATOM 306 OD1 ASN A 22 6.605 -8.991 -12.986 1.00 0.00 O ATOM 307 ND2 ASN A 22 7.209 -10.903 -13.998 1.00 0.00 N ATOM 0 H ASN A 22 9.740 -9.952 -12.312 1.00 0.00 H new ATOM 0 HA ASN A 22 7.737 -8.932 -10.472 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.005 -11.670 -11.776 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.567 -11.002 -11.030 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.952 -10.549 -14.920 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.585 -11.846 -13.900 1.00 0.00 H new ATOM 314 N LEU A 23 9.598 -9.802 -8.698 1.00 0.00 N ATOM 315 CA LEU A 23 10.122 -10.364 -7.458 1.00 0.00 C ATOM 316 C LEU A 23 9.205 -10.040 -6.283 1.00 0.00 C ATOM 317 O LEU A 23 9.238 -8.934 -5.743 1.00 0.00 O ATOM 318 CB LEU A 23 11.528 -9.825 -7.186 1.00 0.00 C ATOM 319 CG LEU A 23 12.434 -10.713 -6.333 1.00 0.00 C ATOM 320 CD1 LEU A 23 12.022 -10.648 -4.870 1.00 0.00 C ATOM 321 CD2 LEU A 23 12.399 -12.149 -6.835 1.00 0.00 C ATOM 0 H LEU A 23 9.888 -8.842 -8.882 1.00 0.00 H new ATOM 0 HA LEU A 23 10.169 -11.447 -7.570 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.020 -9.651 -8.143 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.435 -8.856 -6.695 1.00 0.00 H new ATOM 0 HG LEU A 23 13.456 -10.344 -6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.678 -11.286 -4.278 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.100 -9.620 -4.515 1.00 0.00 H new ATOM 0 HD13 LEU A 23 10.993 -10.991 -4.766 1.00 0.00 H new ATOM 0 HD21 LEU A 23 13.050 -12.767 -6.216 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.379 -12.529 -6.780 1.00 0.00 H new ATOM 0 HD23 LEU A 23 12.744 -12.182 -7.869 1.00 0.00 H new ATOM 333 N ARG A 24 8.389 -11.013 -5.890 1.00 0.00 N ATOM 334 CA ARG A 24 7.464 -10.832 -4.778 1.00 0.00 C ATOM 335 C ARG A 24 8.209 -10.420 -3.512 1.00 0.00 C ATOM 336 O ARG A 24 9.085 -11.140 -3.032 1.00 0.00 O ATOM 337 CB ARG A 24 6.680 -12.121 -4.525 1.00 0.00 C ATOM 338 CG ARG A 24 5.409 -11.912 -3.717 1.00 0.00 C ATOM 339 CD ARG A 24 4.680 -13.225 -3.476 1.00 0.00 C ATOM 340 NE ARG A 24 3.899 -13.639 -4.639 1.00 0.00 N ATOM 341 CZ ARG A 24 3.301 -14.820 -4.739 1.00 0.00 C ATOM 342 NH1 ARG A 24 3.393 -15.700 -3.752 1.00 0.00 N ATOM 343 NH2 ARG A 24 2.608 -15.124 -5.830 1.00 0.00 N ATOM 0 H ARG A 24 8.350 -11.935 -6.325 1.00 0.00 H new ATOM 0 HA ARG A 24 6.767 -10.037 -5.043 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.422 -12.573 -5.483 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.321 -12.830 -4.001 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.656 -11.451 -2.761 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.751 -11.221 -4.244 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.404 -14.002 -3.230 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.020 -13.120 -2.615 1.00 0.00 H new ATOM 0 HE ARG A 24 3.808 -12.985 -5.417 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.925 -15.471 -2.912 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.932 -16.606 -3.832 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.535 -14.450 -6.592 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.149 -16.032 -5.906 1.00 0.00 H new ATOM 357 N LYS A 25 7.856 -9.256 -2.977 1.00 0.00 N ATOM 358 CA LYS A 25 8.490 -8.747 -1.766 1.00 0.00 C ATOM 359 C LYS A 25 7.447 -8.421 -0.702 1.00 0.00 C ATOM 360 O LYS A 25 6.524 -7.642 -0.942 1.00 0.00 O ATOM 361 CB LYS A 25 9.316 -7.499 -2.085 1.00 0.00 C ATOM 362 CG LYS A 25 10.641 -7.803 -2.762 1.00 0.00 C ATOM 363 CD LYS A 25 11.242 -6.560 -3.396 1.00 0.00 C ATOM 364 CE LYS A 25 12.379 -6.911 -4.344 1.00 0.00 C ATOM 365 NZ LYS A 25 12.859 -5.721 -5.099 1.00 0.00 N ATOM 0 H LYS A 25 7.134 -8.647 -3.363 1.00 0.00 H new ATOM 0 HA LYS A 25 9.150 -9.523 -1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.731 -6.841 -2.728 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.507 -6.954 -1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.338 -8.213 -2.031 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.494 -8.567 -3.525 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.468 -6.017 -3.939 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.610 -5.894 -2.616 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.206 -7.339 -3.777 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.044 -7.675 -5.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.634 -6.002 -5.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.077 -5.327 -5.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.202 -5.001 -4.431 1.00 0.00 H new ATOM 379 N ARG A 26 7.600 -9.021 0.474 1.00 0.00 N ATOM 380 CA ARG A 26 6.671 -8.794 1.574 1.00 0.00 C ATOM 381 C ARG A 26 7.274 -7.847 2.608 1.00 0.00 C ATOM 382 O ARG A 26 8.319 -8.134 3.194 1.00 0.00 O ATOM 383 CB ARG A 26 6.300 -10.121 2.238 1.00 0.00 C ATOM 384 CG ARG A 26 5.077 -10.031 3.137 1.00 0.00 C ATOM 385 CD ARG A 26 4.396 -11.383 3.288 1.00 0.00 C ATOM 386 NE ARG A 26 3.262 -11.324 4.205 1.00 0.00 N ATOM 387 CZ ARG A 26 2.766 -12.387 4.829 1.00 0.00 C ATOM 388 NH1 ARG A 26 3.302 -13.584 4.635 1.00 0.00 N ATOM 389 NH2 ARG A 26 1.732 -12.254 5.650 1.00 0.00 N ATOM 0 H ARG A 26 8.359 -9.668 0.689 1.00 0.00 H new ATOM 0 HA ARG A 26 5.770 -8.335 1.167 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.117 -10.866 1.464 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.148 -10.473 2.826 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.372 -9.659 4.118 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.371 -9.311 2.722 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.055 -11.729 2.312 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.118 -12.114 3.651 1.00 0.00 H new ATOM 0 HE ARG A 26 2.827 -10.418 4.376 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.097 -13.691 4.005 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.919 -14.398 5.115 1.00 0.00 H new ATOM 0 HH21 ARG A 26 1.317 -11.335 5.803 1.00 0.00 H new ATOM 0 HH22 ARG A 26 1.352 -13.071 6.128 1.00 0.00 H new ATOM 403 N HIS A 27 6.610 -6.717 2.826 1.00 0.00 N ATOM 404 CA HIS A 27 7.080 -5.727 3.789 1.00 0.00 C ATOM 405 C HIS A 27 5.913 -5.132 4.570 1.00 0.00 C ATOM 406 O HIS A 27 4.754 -5.272 4.177 1.00 0.00 O ATOM 407 CB HIS A 27 7.851 -4.616 3.075 1.00 0.00 C ATOM 408 CG HIS A 27 8.960 -5.120 2.204 1.00 0.00 C ATOM 409 ND1 HIS A 27 9.200 -4.637 0.936 1.00 0.00 N ATOM 410 CD2 HIS A 27 9.898 -6.070 2.427 1.00 0.00 C ATOM 411 CE1 HIS A 27 10.237 -5.269 0.415 1.00 0.00 C ATOM 412 NE2 HIS A 27 10.679 -6.144 1.300 1.00 0.00 N ATOM 0 H HIS A 27 5.745 -6.464 2.349 1.00 0.00 H new ATOM 0 HA HIS A 27 7.746 -6.228 4.492 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.157 -4.037 2.466 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.265 -3.936 3.820 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.011 -6.660 3.324 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.652 -5.099 -0.567 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.471 -6.772 1.168 1.00 0.00 H new ATOM 421 N TYR A 28 6.226 -4.468 5.677 1.00 0.00 N ATOM 422 CA TYR A 28 5.202 -3.854 6.516 1.00 0.00 C ATOM 423 C TYR A 28 4.715 -2.542 5.908 1.00 0.00 C ATOM 424 O TYR A 28 5.181 -1.464 6.277 1.00 0.00 O ATOM 425 CB TYR A 28 5.748 -3.606 7.923 1.00 0.00 C ATOM 426 CG TYR A 28 4.670 -3.465 8.974 1.00 0.00 C ATOM 427 CD1 TYR A 28 3.615 -4.366 9.041 1.00 0.00 C ATOM 428 CD2 TYR A 28 4.707 -2.430 9.900 1.00 0.00 C ATOM 429 CE1 TYR A 28 2.627 -4.240 9.999 1.00 0.00 C ATOM 430 CE2 TYR A 28 3.724 -2.297 10.862 1.00 0.00 C ATOM 431 CZ TYR A 28 2.687 -3.204 10.907 1.00 0.00 C ATOM 432 OH TYR A 28 1.706 -3.076 11.864 1.00 0.00 O ATOM 0 H TYR A 28 7.180 -4.341 6.015 1.00 0.00 H new ATOM 0 HA TYR A 28 4.358 -4.541 6.577 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.407 -4.429 8.198 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.355 -2.701 7.914 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.566 -5.179 8.332 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.518 -1.717 9.867 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.813 -4.949 10.036 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.768 -1.487 11.575 1.00 0.00 H new ATOM 0 HH TYR A 28 1.805 -2.215 12.321 1.00 0.00 H new ATOM 442 N TRP A 29 3.776 -2.643 4.975 1.00 0.00 N ATOM 443 CA TRP A 29 3.224 -1.465 4.316 1.00 0.00 C ATOM 444 C TRP A 29 2.505 -0.567 5.317 1.00 0.00 C ATOM 445 O TRP A 29 1.841 -1.052 6.234 1.00 0.00 O ATOM 446 CB TRP A 29 2.261 -1.882 3.203 1.00 0.00 C ATOM 447 CG TRP A 29 2.931 -2.063 1.875 1.00 0.00 C ATOM 448 CD1 TRP A 29 4.133 -2.668 1.639 1.00 0.00 C ATOM 449 CD2 TRP A 29 2.439 -1.635 0.601 1.00 0.00 C ATOM 450 NE1 TRP A 29 4.417 -2.640 0.295 1.00 0.00 N ATOM 451 CE2 TRP A 29 3.393 -2.013 -0.364 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.283 -0.970 0.180 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.226 -1.747 -1.720 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.119 -0.706 -1.166 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.085 -1.095 -2.104 1.00 0.00 C ATOM 0 H TRP A 29 3.381 -3.528 4.658 1.00 0.00 H new ATOM 0 HA TRP A 29 4.050 -0.903 3.881 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.772 -2.815 3.486 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.479 -1.129 3.108 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.767 -3.104 2.397 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.255 -3.024 -0.141 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.532 -0.668 0.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.970 -2.044 -2.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.231 -0.191 -1.501 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.926 -0.876 -3.150 1.00 0.00 H new ATOM 466 N ARG A 30 2.642 0.742 5.136 1.00 0.00 N ATOM 467 CA ARG A 30 2.005 1.707 6.025 1.00 0.00 C ATOM 468 C ARG A 30 1.434 2.880 5.234 1.00 0.00 C ATOM 469 O ARG A 30 2.128 3.491 4.420 1.00 0.00 O ATOM 470 CB ARG A 30 3.009 2.217 7.061 1.00 0.00 C ATOM 471 CG ARG A 30 3.899 1.127 7.634 1.00 0.00 C ATOM 472 CD ARG A 30 4.486 1.535 8.976 1.00 0.00 C ATOM 473 NE ARG A 30 5.712 0.803 9.284 1.00 0.00 N ATOM 474 CZ ARG A 30 6.367 0.917 10.433 1.00 0.00 C ATOM 475 NH1 ARG A 30 5.917 1.729 11.379 1.00 0.00 N ATOM 476 NH2 ARG A 30 7.476 0.218 10.638 1.00 0.00 N ATOM 0 H ARG A 30 3.188 1.159 4.382 1.00 0.00 H new ATOM 0 HA ARG A 30 1.186 1.205 6.539 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.635 2.982 6.602 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.466 2.697 7.875 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.322 0.210 7.752 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.706 0.909 6.934 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.695 2.605 8.970 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.751 1.358 9.762 1.00 0.00 H new ATOM 0 HE ARG A 30 6.085 0.169 8.577 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.065 2.268 11.225 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.423 1.814 12.261 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.826 -0.408 9.912 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.979 0.306 11.521 1.00 0.00 H new ATOM 490 N LEU A 31 0.165 3.189 5.478 1.00 0.00 N ATOM 491 CA LEU A 31 -0.501 4.289 4.789 1.00 0.00 C ATOM 492 C LEU A 31 -1.021 5.320 5.785 1.00 0.00 C ATOM 493 O LEU A 31 -1.344 4.989 6.926 1.00 0.00 O ATOM 494 CB LEU A 31 -1.656 3.758 3.937 1.00 0.00 C ATOM 495 CG LEU A 31 -2.703 4.788 3.511 1.00 0.00 C ATOM 496 CD1 LEU A 31 -2.196 5.610 2.337 1.00 0.00 C ATOM 497 CD2 LEU A 31 -4.013 4.100 3.156 1.00 0.00 C ATOM 0 H LEU A 31 -0.423 2.693 6.148 1.00 0.00 H new ATOM 0 HA LEU A 31 0.228 4.774 4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.239 3.301 3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.159 2.967 4.494 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.884 5.462 4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.954 6.338 2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.284 6.132 2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.986 4.951 1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.747 4.848 2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.847 3.403 2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.385 3.555 4.024 1.00 0.00 H new ATOM 509 N ASP A 32 -1.100 6.571 5.345 1.00 0.00 N ATOM 510 CA ASP A 32 -1.584 7.652 6.197 1.00 0.00 C ATOM 511 C ASP A 32 -2.139 8.798 5.357 1.00 0.00 C ATOM 512 O ASP A 32 -2.202 8.709 4.131 1.00 0.00 O ATOM 513 CB ASP A 32 -0.458 8.162 7.098 1.00 0.00 C ATOM 514 CG ASP A 32 0.900 8.083 6.429 1.00 0.00 C ATOM 515 OD1 ASP A 32 1.279 6.979 5.984 1.00 0.00 O ATOM 516 OD2 ASP A 32 1.583 9.125 6.350 1.00 0.00 O ATOM 0 H ASP A 32 -0.835 6.862 4.404 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.388 7.260 6.820 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.662 9.195 7.379 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.441 7.579 8.019 1.00 0.00 H new ATOM 521 N SER A 33 -2.543 9.873 6.027 1.00 0.00 N ATOM 522 CA SER A 33 -3.098 11.036 5.343 1.00 0.00 C ATOM 523 C SER A 33 -1.987 11.921 4.787 1.00 0.00 C ATOM 524 O SER A 33 -2.223 13.067 4.403 1.00 0.00 O ATOM 525 CB SER A 33 -3.979 11.843 6.298 1.00 0.00 C ATOM 526 OG SER A 33 -4.969 12.567 5.589 1.00 0.00 O ATOM 0 H SER A 33 -2.496 9.963 7.042 1.00 0.00 H new ATOM 0 HA SER A 33 -3.706 10.681 4.511 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.456 11.172 7.012 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.361 12.533 6.873 1.00 0.00 H new ATOM 0 HG SER A 33 -5.520 13.073 6.222 1.00 0.00 H new ATOM 532 N LYS A 34 -0.773 11.382 4.746 1.00 0.00 N ATOM 533 CA LYS A 34 0.376 12.120 4.237 1.00 0.00 C ATOM 534 C LYS A 34 0.998 11.402 3.043 1.00 0.00 C ATOM 535 O LYS A 34 0.965 11.904 1.919 1.00 0.00 O ATOM 536 CB LYS A 34 1.422 12.299 5.339 1.00 0.00 C ATOM 537 CG LYS A 34 2.682 13.008 4.872 1.00 0.00 C ATOM 538 CD LYS A 34 2.539 14.518 4.964 1.00 0.00 C ATOM 539 CE LYS A 34 3.422 15.224 3.946 1.00 0.00 C ATOM 540 NZ LYS A 34 3.589 16.669 4.265 1.00 0.00 N ATOM 0 H LYS A 34 -0.560 10.435 5.060 1.00 0.00 H new ATOM 0 HA LYS A 34 0.031 13.101 3.910 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.980 12.864 6.160 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.692 11.320 5.735 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.528 12.684 5.478 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.900 12.724 3.842 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.498 14.797 4.800 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.803 14.849 5.968 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.400 14.743 3.918 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.986 15.119 2.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.197 17.115 3.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.659 17.134 4.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.028 16.769 5.202 1.00 0.00 H new ATOM 554 N CYS A 35 1.562 10.226 3.294 1.00 0.00 N ATOM 555 CA CYS A 35 2.191 9.439 2.240 1.00 0.00 C ATOM 556 C CYS A 35 2.318 7.977 2.655 1.00 0.00 C ATOM 557 O CYS A 35 2.296 7.653 3.843 1.00 0.00 O ATOM 558 CB CYS A 35 3.571 10.008 1.904 1.00 0.00 C ATOM 559 SG CYS A 35 4.549 10.474 3.351 1.00 0.00 S ATOM 0 H CYS A 35 1.597 9.796 4.219 1.00 0.00 H new ATOM 0 HA CYS A 35 1.558 9.493 1.354 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.126 9.269 1.326 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.446 10.883 1.266 1.00 0.00 H new ATOM 0 HG CYS A 35 5.699 10.942 2.965 1.00 0.00 H new ATOM 565 N LEU A 36 2.449 7.096 1.669 1.00 0.00 N ATOM 566 CA LEU A 36 2.578 5.667 1.931 1.00 0.00 C ATOM 567 C LEU A 36 4.035 5.287 2.173 1.00 0.00 C ATOM 568 O LEU A 36 4.863 5.342 1.263 1.00 0.00 O ATOM 569 CB LEU A 36 2.017 4.861 0.758 1.00 0.00 C ATOM 570 CG LEU A 36 2.191 3.344 0.842 1.00 0.00 C ATOM 571 CD1 LEU A 36 1.189 2.745 1.816 1.00 0.00 C ATOM 572 CD2 LEU A 36 2.043 2.713 -0.535 1.00 0.00 C ATOM 0 H LEU A 36 2.469 7.347 0.680 1.00 0.00 H new ATOM 0 HA LEU A 36 2.007 5.435 2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.953 5.080 0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.493 5.211 -0.158 1.00 0.00 H new ATOM 0 HG LEU A 36 3.195 3.132 1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.328 1.665 1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.343 3.174 2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.176 2.966 1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.170 1.633 -0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.052 2.934 -0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.801 3.119 -1.205 1.00 0.00 H new ATOM 584 N THR A 37 4.342 4.898 3.407 1.00 0.00 N ATOM 585 CA THR A 37 5.699 4.508 3.770 1.00 0.00 C ATOM 586 C THR A 37 5.818 2.994 3.903 1.00 0.00 C ATOM 587 O THR A 37 4.897 2.328 4.378 1.00 0.00 O ATOM 588 CB THR A 37 6.138 5.164 5.092 1.00 0.00 C ATOM 589 OG1 THR A 37 5.807 6.557 5.081 1.00 0.00 O ATOM 590 CG2 THR A 37 7.634 4.995 5.310 1.00 0.00 C ATOM 0 H THR A 37 3.669 4.845 4.172 1.00 0.00 H new ATOM 0 HA THR A 37 6.352 4.853 2.968 1.00 0.00 H new ATOM 0 HB THR A 37 5.610 4.672 5.909 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.088 6.967 5.926 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.920 5.467 6.250 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.879 3.933 5.347 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.177 5.464 4.489 1.00 0.00 H new ATOM 598 N LEU A 38 6.957 2.456 3.482 1.00 0.00 N ATOM 599 CA LEU A 38 7.197 1.019 3.555 1.00 0.00 C ATOM 600 C LEU A 38 8.248 0.695 4.613 1.00 0.00 C ATOM 601 O LEU A 38 9.053 1.549 4.984 1.00 0.00 O ATOM 602 CB LEU A 38 7.648 0.487 2.193 1.00 0.00 C ATOM 603 CG LEU A 38 6.535 0.033 1.248 1.00 0.00 C ATOM 604 CD1 LEU A 38 5.939 1.224 0.514 1.00 0.00 C ATOM 605 CD2 LEU A 38 7.063 -0.996 0.259 1.00 0.00 C ATOM 0 H LEU A 38 7.729 2.993 3.087 1.00 0.00 H new ATOM 0 HA LEU A 38 6.262 0.534 3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.226 1.265 1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.322 -0.353 2.359 1.00 0.00 H new ATOM 0 HG LEU A 38 5.748 -0.433 1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.149 0.881 -0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.524 1.926 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.716 1.719 -0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.258 -1.308 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.869 -0.556 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.441 -1.862 0.802 1.00 0.00 H new ATOM 617 N PHE A 39 8.234 -0.544 5.093 1.00 0.00 N ATOM 618 CA PHE A 39 9.186 -0.981 6.108 1.00 0.00 C ATOM 619 C PHE A 39 9.501 -2.466 5.954 1.00 0.00 C ATOM 620 O PHE A 39 8.613 -3.312 6.055 1.00 0.00 O ATOM 621 CB PHE A 39 8.633 -0.707 7.508 1.00 0.00 C ATOM 622 CG PHE A 39 8.521 0.755 7.833 1.00 0.00 C ATOM 623 CD1 PHE A 39 7.487 1.516 7.313 1.00 0.00 C ATOM 624 CD2 PHE A 39 9.449 1.368 8.659 1.00 0.00 C ATOM 625 CE1 PHE A 39 7.380 2.862 7.610 1.00 0.00 C ATOM 626 CE2 PHE A 39 9.347 2.713 8.960 1.00 0.00 C ATOM 627 CZ PHE A 39 8.312 3.461 8.434 1.00 0.00 C ATOM 0 H PHE A 39 7.574 -1.263 4.796 1.00 0.00 H new ATOM 0 HA PHE A 39 10.108 -0.416 5.973 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.649 -1.167 7.598 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.278 -1.186 8.245 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.756 1.052 6.668 1.00 0.00 H new ATOM 0 HD2 PHE A 39 10.261 0.788 9.072 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.569 3.444 7.198 1.00 0.00 H new ATOM 0 HE2 PHE A 39 10.076 3.179 9.606 1.00 0.00 H new ATOM 0 HZ PHE A 39 8.232 4.513 8.667 1.00 0.00 H new ATOM 637 N GLN A 40 10.771 -2.773 5.710 1.00 0.00 N ATOM 638 CA GLN A 40 11.203 -4.156 5.541 1.00 0.00 C ATOM 639 C GLN A 40 10.953 -4.963 6.810 1.00 0.00 C ATOM 640 O GLN A 40 10.831 -6.187 6.765 1.00 0.00 O ATOM 641 CB GLN A 40 12.687 -4.207 5.174 1.00 0.00 C ATOM 642 CG GLN A 40 13.603 -3.682 6.268 1.00 0.00 C ATOM 643 CD GLN A 40 15.068 -3.941 5.976 1.00 0.00 C ATOM 644 OE1 GLN A 40 15.612 -3.449 4.987 1.00 0.00 O ATOM 645 NE2 GLN A 40 15.715 -4.716 6.838 1.00 0.00 N ATOM 0 H GLN A 40 11.518 -2.084 5.625 1.00 0.00 H new ATOM 0 HA GLN A 40 10.620 -4.596 4.732 1.00 0.00 H new ATOM 0 HB2 GLN A 40 12.961 -5.237 4.946 1.00 0.00 H new ATOM 0 HB3 GLN A 40 12.848 -3.625 4.266 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.444 -2.610 6.387 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.337 -4.151 7.215 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.224 -5.102 7.644 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.703 -4.925 6.694 1.00 0.00 H new ATOM 654 N ASN A 41 10.877 -4.270 7.942 1.00 0.00 N ATOM 655 CA ASN A 41 10.642 -4.923 9.224 1.00 0.00 C ATOM 656 C ASN A 41 9.824 -4.026 10.150 1.00 0.00 C ATOM 657 O ASN A 41 9.564 -2.866 9.834 1.00 0.00 O ATOM 658 CB ASN A 41 11.973 -5.282 9.888 1.00 0.00 C ATOM 659 CG ASN A 41 12.482 -6.646 9.463 1.00 0.00 C ATOM 660 OD1 ASN A 41 13.521 -6.757 8.813 1.00 0.00 O ATOM 661 ND2 ASN A 41 11.749 -7.691 9.829 1.00 0.00 N ATOM 0 H ASN A 41 10.975 -3.256 7.997 1.00 0.00 H new ATOM 0 HA ASN A 41 10.077 -5.837 9.040 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.717 -4.525 9.637 1.00 0.00 H new ATOM 0 HB3 ASN A 41 11.852 -5.264 10.971 1.00 0.00 H new ATOM 0 HD21 ASN A 41 12.041 -8.634 9.571 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.894 -7.551 10.368 1.00 0.00 H new ATOM 668 N GLU A 42 9.424 -4.574 11.293 1.00 0.00 N ATOM 669 CA GLU A 42 8.636 -3.823 12.263 1.00 0.00 C ATOM 670 C GLU A 42 9.539 -3.008 13.183 1.00 0.00 C ATOM 671 O GLU A 42 9.482 -3.142 14.406 1.00 0.00 O ATOM 672 CB GLU A 42 7.769 -4.773 13.093 1.00 0.00 C ATOM 673 CG GLU A 42 6.703 -5.490 12.281 1.00 0.00 C ATOM 674 CD GLU A 42 5.484 -5.850 13.108 1.00 0.00 C ATOM 675 OE1 GLU A 42 4.943 -4.953 13.788 1.00 0.00 O ATOM 676 OE2 GLU A 42 5.072 -7.029 13.075 1.00 0.00 O ATOM 0 H GLU A 42 9.632 -5.533 11.570 1.00 0.00 H new ATOM 0 HA GLU A 42 7.990 -3.137 11.715 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.411 -5.514 13.570 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.287 -4.208 13.891 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.398 -4.856 11.448 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.127 -6.398 11.852 1.00 0.00 H new ATOM 683 N SER A 43 10.373 -2.162 12.586 1.00 0.00 N ATOM 684 CA SER A 43 11.293 -1.327 13.351 1.00 0.00 C ATOM 685 C SER A 43 10.619 -0.027 13.777 1.00 0.00 C ATOM 686 O SER A 43 10.325 0.176 14.954 1.00 0.00 O ATOM 687 CB SER A 43 12.543 -1.020 12.524 1.00 0.00 C ATOM 688 OG SER A 43 13.670 -0.820 13.360 1.00 0.00 O ATOM 0 H SER A 43 10.431 -2.037 11.575 1.00 0.00 H new ATOM 0 HA SER A 43 11.584 -1.875 14.247 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.738 -1.842 11.835 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.373 -0.130 11.918 1.00 0.00 H new ATOM 0 HG SER A 43 14.457 -0.627 12.808 1.00 0.00 H new ATOM 694 N GLY A 44 10.377 0.852 12.809 1.00 0.00 N ATOM 695 CA GLY A 44 9.740 2.123 13.103 1.00 0.00 C ATOM 696 C GLY A 44 10.532 3.304 12.578 1.00 0.00 C ATOM 697 O GLY A 44 10.091 3.998 11.662 1.00 0.00 O ATOM 0 H GLY A 44 10.611 0.707 11.827 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.742 2.135 12.665 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.616 2.223 14.181 1.00 0.00 H new ATOM 701 N SER A 45 11.705 3.534 13.161 1.00 0.00 N ATOM 702 CA SER A 45 12.558 4.643 12.750 1.00 0.00 C ATOM 703 C SER A 45 12.919 4.532 11.272 1.00 0.00 C ATOM 704 O SER A 45 12.438 5.305 10.443 1.00 0.00 O ATOM 705 CB SER A 45 13.832 4.675 13.596 1.00 0.00 C ATOM 706 OG SER A 45 14.588 5.845 13.336 1.00 0.00 O ATOM 0 H SER A 45 12.086 2.967 13.919 1.00 0.00 H new ATOM 0 HA SER A 45 12.005 5.570 12.903 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.571 4.634 14.654 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.436 3.793 13.383 1.00 0.00 H new ATOM 0 HG SER A 45 15.396 5.842 13.890 1.00 0.00 H new ATOM 712 N LYS A 46 13.769 3.564 10.948 1.00 0.00 N ATOM 713 CA LYS A 46 14.196 3.349 9.570 1.00 0.00 C ATOM 714 C LYS A 46 13.031 2.869 8.709 1.00 0.00 C ATOM 715 O LYS A 46 12.061 2.307 9.217 1.00 0.00 O ATOM 716 CB LYS A 46 15.335 2.328 9.521 1.00 0.00 C ATOM 717 CG LYS A 46 14.915 0.928 9.935 1.00 0.00 C ATOM 718 CD LYS A 46 16.055 -0.064 9.779 1.00 0.00 C ATOM 719 CE LYS A 46 16.969 -0.059 10.995 1.00 0.00 C ATOM 720 NZ LYS A 46 17.798 -1.293 11.072 1.00 0.00 N ATOM 0 H LYS A 46 14.176 2.915 11.621 1.00 0.00 H new ATOM 0 HA LYS A 46 14.551 4.300 9.173 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.737 2.293 8.509 1.00 0.00 H new ATOM 0 HB3 LYS A 46 16.141 2.664 10.173 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.580 0.939 10.972 1.00 0.00 H new ATOM 0 HG3 LYS A 46 14.067 0.607 9.330 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.650 -1.065 9.631 1.00 0.00 H new ATOM 0 HD3 LYS A 46 16.632 0.181 8.888 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.620 0.814 10.956 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.368 0.032 11.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.407 -1.250 11.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 17.177 -2.125 11.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 18.390 -1.367 10.220 1.00 0.00 H new ATOM 734 N TYR A 47 13.135 3.094 7.404 1.00 0.00 N ATOM 735 CA TYR A 47 12.090 2.685 6.473 1.00 0.00 C ATOM 736 C TYR A 47 12.693 2.181 5.165 1.00 0.00 C ATOM 737 O TYR A 47 13.874 2.395 4.889 1.00 0.00 O ATOM 738 CB TYR A 47 11.141 3.852 6.194 1.00 0.00 C ATOM 739 CG TYR A 47 11.762 4.951 5.362 1.00 0.00 C ATOM 740 CD1 TYR A 47 12.588 5.906 5.941 1.00 0.00 C ATOM 741 CD2 TYR A 47 11.522 5.034 3.996 1.00 0.00 C ATOM 742 CE1 TYR A 47 13.156 6.913 5.184 1.00 0.00 C ATOM 743 CE2 TYR A 47 12.087 6.036 3.231 1.00 0.00 C ATOM 744 CZ TYR A 47 12.902 6.973 3.830 1.00 0.00 C ATOM 745 OH TYR A 47 13.467 7.974 3.072 1.00 0.00 O ATOM 0 H TYR A 47 13.932 3.557 6.967 1.00 0.00 H new ATOM 0 HA TYR A 47 11.529 1.871 6.931 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.256 3.475 5.681 1.00 0.00 H new ATOM 0 HB3 TYR A 47 10.805 4.271 7.142 1.00 0.00 H new ATOM 0 HD1 TYR A 47 12.790 5.861 7.001 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.883 4.303 3.524 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.795 7.649 5.650 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.891 6.085 2.170 1.00 0.00 H new ATOM 0 HH TYR A 47 12.772 8.609 2.799 1.00 0.00 H new ATOM 755 N TYR A 48 11.873 1.513 4.362 1.00 0.00 N ATOM 756 CA TYR A 48 12.323 0.977 3.083 1.00 0.00 C ATOM 757 C TYR A 48 12.235 2.035 1.988 1.00 0.00 C ATOM 758 O TYR A 48 13.241 2.402 1.380 1.00 0.00 O ATOM 759 CB TYR A 48 11.488 -0.245 2.696 1.00 0.00 C ATOM 760 CG TYR A 48 11.967 -0.932 1.437 1.00 0.00 C ATOM 761 CD1 TYR A 48 11.491 -0.549 0.189 1.00 0.00 C ATOM 762 CD2 TYR A 48 12.898 -1.962 1.495 1.00 0.00 C ATOM 763 CE1 TYR A 48 11.925 -1.174 -0.964 1.00 0.00 C ATOM 764 CE2 TYR A 48 13.339 -2.592 0.347 1.00 0.00 C ATOM 765 CZ TYR A 48 12.849 -2.195 -0.879 1.00 0.00 C ATOM 766 OH TYR A 48 13.286 -2.819 -2.026 1.00 0.00 O ATOM 0 H TYR A 48 10.892 1.330 4.574 1.00 0.00 H new ATOM 0 HA TYR A 48 13.365 0.677 3.190 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.503 -0.960 3.518 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.451 0.062 2.560 1.00 0.00 H new ATOM 0 HD1 TYR A 48 10.769 0.251 0.119 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.284 -2.276 2.454 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.543 -0.865 -1.926 1.00 0.00 H new ATOM 0 HE2 TYR A 48 14.063 -3.391 0.410 1.00 0.00 H new ATOM 0 HH TYR A 48 13.936 -3.515 -1.793 1.00 0.00 H new ATOM 776 N LYS A 49 11.024 2.522 1.741 1.00 0.00 N ATOM 777 CA LYS A 49 10.801 3.539 0.720 1.00 0.00 C ATOM 778 C LYS A 49 9.605 4.416 1.077 1.00 0.00 C ATOM 779 O LYS A 49 8.907 4.158 2.058 1.00 0.00 O ATOM 780 CB LYS A 49 10.577 2.883 -0.644 1.00 0.00 C ATOM 781 CG LYS A 49 11.861 2.444 -1.326 1.00 0.00 C ATOM 782 CD LYS A 49 11.579 1.717 -2.630 1.00 0.00 C ATOM 783 CE LYS A 49 11.456 2.687 -3.795 1.00 0.00 C ATOM 784 NZ LYS A 49 11.591 1.998 -5.108 1.00 0.00 N ATOM 0 H LYS A 49 10.181 2.229 2.234 1.00 0.00 H new ATOM 0 HA LYS A 49 11.689 4.169 0.671 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.927 2.017 -0.519 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.052 3.584 -1.293 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.486 3.315 -1.522 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.424 1.791 -0.659 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.380 1.005 -2.831 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.658 1.142 -2.535 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.491 3.191 -3.747 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.223 3.457 -3.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.501 2.694 -5.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.522 1.538 -5.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.844 1.280 -5.202 1.00 0.00 H new ATOM 798 N GLU A 50 9.374 5.450 0.275 1.00 0.00 N ATOM 799 CA GLU A 50 8.261 6.363 0.508 1.00 0.00 C ATOM 800 C GLU A 50 7.536 6.680 -0.797 1.00 0.00 C ATOM 801 O GLU A 50 8.092 7.321 -1.689 1.00 0.00 O ATOM 802 CB GLU A 50 8.761 7.657 1.153 1.00 0.00 C ATOM 803 CG GLU A 50 8.811 7.600 2.671 1.00 0.00 C ATOM 804 CD GLU A 50 9.432 8.842 3.281 1.00 0.00 C ATOM 805 OE1 GLU A 50 10.534 9.231 2.841 1.00 0.00 O ATOM 806 OE2 GLU A 50 8.816 9.425 4.198 1.00 0.00 O ATOM 0 H GLU A 50 9.942 5.677 -0.541 1.00 0.00 H new ATOM 0 HA GLU A 50 7.559 5.875 1.185 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.758 7.881 0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.112 8.479 0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.800 7.475 3.060 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.382 6.724 2.979 1.00 0.00 H new ATOM 813 N ILE A 51 6.291 6.225 -0.900 1.00 0.00 N ATOM 814 CA ILE A 51 5.489 6.459 -2.094 1.00 0.00 C ATOM 815 C ILE A 51 4.471 7.571 -1.863 1.00 0.00 C ATOM 816 O ILE A 51 3.434 7.374 -1.229 1.00 0.00 O ATOM 817 CB ILE A 51 4.748 5.183 -2.535 1.00 0.00 C ATOM 818 CG1 ILE A 51 5.711 3.995 -2.570 1.00 0.00 C ATOM 819 CG2 ILE A 51 4.103 5.389 -3.897 1.00 0.00 C ATOM 820 CD1 ILE A 51 5.024 2.656 -2.419 1.00 0.00 C ATOM 0 H ILE A 51 5.817 5.692 -0.171 1.00 0.00 H new ATOM 0 HA ILE A 51 6.179 6.759 -2.883 1.00 0.00 H new ATOM 0 HB ILE A 51 3.962 4.968 -1.811 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.259 4.009 -3.512 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.446 4.109 -1.773 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.583 4.478 -4.195 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.390 6.212 -3.841 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.873 5.624 -4.632 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.768 1.860 -2.453 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.499 2.622 -1.464 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.309 2.520 -3.231 1.00 0.00 H new ATOM 832 N PRO A 52 4.771 8.767 -2.390 1.00 0.00 N ATOM 833 CA PRO A 52 3.893 9.933 -2.256 1.00 0.00 C ATOM 834 C PRO A 52 2.609 9.789 -3.066 1.00 0.00 C ATOM 835 O PRO A 52 2.639 9.382 -4.229 1.00 0.00 O ATOM 836 CB PRO A 52 4.744 11.082 -2.803 1.00 0.00 C ATOM 837 CG PRO A 52 5.704 10.431 -3.737 1.00 0.00 C ATOM 838 CD PRO A 52 5.989 9.073 -3.158 1.00 0.00 C ATOM 0 HA PRO A 52 3.564 10.079 -1.227 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.129 11.820 -3.318 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.265 11.605 -2.001 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.279 10.347 -4.737 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.619 11.017 -3.827 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.169 8.333 -3.938 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.873 9.085 -2.521 1.00 0.00 H new ATOM 846 N LEU A 53 1.483 10.124 -2.446 1.00 0.00 N ATOM 847 CA LEU A 53 0.187 10.032 -3.110 1.00 0.00 C ATOM 848 C LEU A 53 0.215 10.745 -4.458 1.00 0.00 C ATOM 849 O LEU A 53 -0.545 10.406 -5.366 1.00 0.00 O ATOM 850 CB LEU A 53 -0.906 10.632 -2.225 1.00 0.00 C ATOM 851 CG LEU A 53 -1.166 9.915 -0.900 1.00 0.00 C ATOM 852 CD1 LEU A 53 -1.861 10.844 0.083 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.995 8.659 -1.127 1.00 0.00 C ATOM 0 H LEU A 53 1.441 10.462 -1.484 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.032 8.978 -3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.643 11.668 -2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.836 10.651 -2.793 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.207 9.621 -0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.038 10.316 1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.231 11.713 0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.814 11.169 -0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.170 8.161 -0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.951 8.930 -1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.459 7.985 -1.795 1.00 0.00 H new ATOM 865 N SER A 54 1.096 11.732 -4.582 1.00 0.00 N ATOM 866 CA SER A 54 1.221 12.494 -5.819 1.00 0.00 C ATOM 867 C SER A 54 1.740 11.612 -6.950 1.00 0.00 C ATOM 868 O SER A 54 1.294 11.722 -8.092 1.00 0.00 O ATOM 869 CB SER A 54 2.159 13.686 -5.616 1.00 0.00 C ATOM 870 OG SER A 54 2.140 14.547 -6.741 1.00 0.00 O ATOM 0 H SER A 54 1.734 12.023 -3.841 1.00 0.00 H new ATOM 0 HA SER A 54 0.232 12.861 -6.092 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.861 14.240 -4.725 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.174 13.329 -5.445 1.00 0.00 H new ATOM 0 HG SER A 54 2.746 15.301 -6.586 1.00 0.00 H new ATOM 876 N GLU A 55 2.686 10.737 -6.624 1.00 0.00 N ATOM 877 CA GLU A 55 3.267 9.836 -7.613 1.00 0.00 C ATOM 878 C GLU A 55 2.193 8.952 -8.240 1.00 0.00 C ATOM 879 O GLU A 55 2.033 8.924 -9.461 1.00 0.00 O ATOM 880 CB GLU A 55 4.348 8.965 -6.969 1.00 0.00 C ATOM 881 CG GLU A 55 5.732 9.590 -7.002 1.00 0.00 C ATOM 882 CD GLU A 55 6.418 9.418 -8.344 1.00 0.00 C ATOM 883 OE1 GLU A 55 6.164 8.395 -9.013 1.00 0.00 O ATOM 884 OE2 GLU A 55 7.209 10.307 -8.725 1.00 0.00 O ATOM 0 H GLU A 55 3.066 10.633 -5.683 1.00 0.00 H new ATOM 0 HA GLU A 55 3.719 10.442 -8.398 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.073 8.766 -5.933 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.381 8.003 -7.481 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.652 10.653 -6.772 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.348 9.141 -6.223 1.00 0.00 H new ATOM 891 N ILE A 56 1.461 8.232 -7.397 1.00 0.00 N ATOM 892 CA ILE A 56 0.402 7.347 -7.869 1.00 0.00 C ATOM 893 C ILE A 56 -0.559 8.085 -8.795 1.00 0.00 C ATOM 894 O ILE A 56 -1.344 8.924 -8.352 1.00 0.00 O ATOM 895 CB ILE A 56 -0.393 6.746 -6.695 1.00 0.00 C ATOM 896 CG1 ILE A 56 0.544 5.995 -5.747 1.00 0.00 C ATOM 897 CG2 ILE A 56 -1.484 5.820 -7.214 1.00 0.00 C ATOM 898 CD1 ILE A 56 -0.025 5.808 -4.358 1.00 0.00 C ATOM 0 H ILE A 56 1.581 8.244 -6.384 1.00 0.00 H new ATOM 0 HA ILE A 56 0.886 6.541 -8.420 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.865 7.558 -6.141 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.771 5.018 -6.172 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.486 6.538 -5.675 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.038 5.403 -6.373 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.165 6.382 -7.853 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.032 5.011 -7.788 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.693 5.268 -3.740 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.226 6.782 -3.913 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.952 5.238 -4.418 1.00 0.00 H new ATOM 910 N LEU A 57 -0.492 7.767 -10.083 1.00 0.00 N ATOM 911 CA LEU A 57 -1.358 8.398 -11.073 1.00 0.00 C ATOM 912 C LEU A 57 -2.768 7.817 -11.013 1.00 0.00 C ATOM 913 O LEU A 57 -3.732 8.531 -10.738 1.00 0.00 O ATOM 914 CB LEU A 57 -0.779 8.216 -12.476 1.00 0.00 C ATOM 915 CG LEU A 57 0.601 8.828 -12.717 1.00 0.00 C ATOM 916 CD1 LEU A 57 1.245 8.223 -13.955 1.00 0.00 C ATOM 917 CD2 LEU A 57 0.497 10.340 -12.853 1.00 0.00 C ATOM 0 H LEU A 57 0.153 7.076 -10.466 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.413 9.462 -10.845 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.723 7.148 -12.689 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.476 8.648 -13.194 1.00 0.00 H new ATOM 0 HG LEU A 57 1.232 8.603 -11.857 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.226 8.671 -14.110 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.355 7.147 -13.819 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.616 8.417 -14.824 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.489 10.759 -13.024 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.151 10.586 -13.694 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.079 10.760 -11.938 1.00 0.00 H new ATOM 929 N ARG A 58 -2.878 6.518 -11.269 1.00 0.00 N ATOM 930 CA ARG A 58 -4.169 5.841 -11.243 1.00 0.00 C ATOM 931 C ARG A 58 -3.995 4.347 -10.986 1.00 0.00 C ATOM 932 O ARG A 58 -2.922 3.788 -11.218 1.00 0.00 O ATOM 933 CB ARG A 58 -4.910 6.059 -12.564 1.00 0.00 C ATOM 934 CG ARG A 58 -6.413 5.864 -12.458 1.00 0.00 C ATOM 935 CD ARG A 58 -6.818 4.445 -12.825 1.00 0.00 C ATOM 936 NE ARG A 58 -8.146 4.394 -13.431 1.00 0.00 N ATOM 937 CZ ARG A 58 -9.273 4.357 -12.729 1.00 0.00 C ATOM 938 NH1 ARG A 58 -9.233 4.367 -11.404 1.00 0.00 N ATOM 939 NH2 ARG A 58 -10.443 4.312 -13.353 1.00 0.00 N ATOM 0 H ARG A 58 -2.089 5.913 -11.497 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.757 6.266 -10.430 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.707 7.068 -12.922 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.515 5.370 -13.311 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.739 6.085 -11.442 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.920 6.570 -13.116 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.087 4.027 -13.518 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.803 3.821 -11.931 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.212 4.386 -14.449 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.335 4.403 -10.921 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.100 4.339 -10.867 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.477 4.306 -14.372 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.308 4.284 -12.813 1.00 0.00 H new ATOM 953 N ILE A 59 -5.055 3.707 -10.505 1.00 0.00 N ATOM 954 CA ILE A 59 -5.019 2.279 -10.217 1.00 0.00 C ATOM 955 C ILE A 59 -5.564 1.468 -11.387 1.00 0.00 C ATOM 956 O ILE A 59 -6.703 1.661 -11.812 1.00 0.00 O ATOM 957 CB ILE A 59 -5.827 1.939 -8.950 1.00 0.00 C ATOM 958 CG1 ILE A 59 -5.314 2.750 -7.759 1.00 0.00 C ATOM 959 CG2 ILE A 59 -5.748 0.448 -8.656 1.00 0.00 C ATOM 960 CD1 ILE A 59 -3.885 2.431 -7.380 1.00 0.00 C ATOM 0 H ILE A 59 -5.950 4.155 -10.306 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.974 2.017 -10.052 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.871 2.201 -9.121 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.391 3.812 -7.993 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.959 2.566 -6.900 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.324 0.223 -7.758 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.156 -0.111 -9.498 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.708 0.162 -8.501 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.589 3.043 -6.528 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.806 1.377 -7.114 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.229 2.642 -8.224 1.00 0.00 H new ATOM 972 N SER A 60 -4.744 0.558 -11.903 1.00 0.00 N ATOM 973 CA SER A 60 -5.144 -0.282 -13.027 1.00 0.00 C ATOM 974 C SER A 60 -5.745 -1.596 -12.536 1.00 0.00 C ATOM 975 O SER A 60 -5.613 -1.952 -11.365 1.00 0.00 O ATOM 976 CB SER A 60 -3.944 -0.563 -13.932 1.00 0.00 C ATOM 977 OG SER A 60 -3.894 0.352 -15.013 1.00 0.00 O ATOM 0 H SER A 60 -3.799 0.383 -11.561 1.00 0.00 H new ATOM 0 HA SER A 60 -5.903 0.253 -13.598 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.024 -0.496 -13.352 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.005 -1.581 -14.316 1.00 0.00 H new ATOM 0 HG SER A 60 -3.117 0.152 -15.575 1.00 0.00 H new ATOM 983 N SER A 61 -6.404 -2.312 -13.441 1.00 0.00 N ATOM 984 CA SER A 61 -7.029 -3.584 -13.101 1.00 0.00 C ATOM 985 C SER A 61 -6.054 -4.740 -13.304 1.00 0.00 C ATOM 986 O SER A 61 -5.084 -4.642 -14.055 1.00 0.00 O ATOM 987 CB SER A 61 -8.282 -3.805 -13.950 1.00 0.00 C ATOM 988 OG SER A 61 -9.382 -3.073 -13.436 1.00 0.00 O ATOM 0 H SER A 61 -6.519 -2.033 -14.415 1.00 0.00 H new ATOM 0 HA SER A 61 -7.313 -3.550 -12.049 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.087 -3.500 -14.978 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.527 -4.867 -13.973 1.00 0.00 H new ATOM 0 HG SER A 61 -10.170 -3.230 -13.997 1.00 0.00 H new ATOM 994 N PRO A 62 -6.316 -5.862 -12.617 1.00 0.00 N ATOM 995 CA PRO A 62 -5.474 -7.059 -12.705 1.00 0.00 C ATOM 996 C PRO A 62 -5.584 -7.746 -14.062 1.00 0.00 C ATOM 997 O PRO A 62 -4.818 -8.660 -14.369 1.00 0.00 O ATOM 998 CB PRO A 62 -6.027 -7.963 -11.601 1.00 0.00 C ATOM 999 CG PRO A 62 -7.441 -7.527 -11.426 1.00 0.00 C ATOM 1000 CD PRO A 62 -7.455 -6.049 -11.703 1.00 0.00 C ATOM 0 HA PRO A 62 -4.416 -6.823 -12.591 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.969 -9.014 -11.884 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.461 -7.850 -10.676 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -8.101 -8.059 -12.111 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.793 -7.738 -10.416 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -8.393 -5.735 -12.161 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.336 -5.468 -10.789 1.00 0.00 H new ATOM 1008 N ARG A 63 -6.541 -7.302 -14.870 1.00 0.00 N ATOM 1009 CA ARG A 63 -6.751 -7.875 -16.194 1.00 0.00 C ATOM 1010 C ARG A 63 -5.418 -8.173 -16.875 1.00 0.00 C ATOM 1011 O ARG A 63 -5.301 -9.132 -17.638 1.00 0.00 O ATOM 1012 CB ARG A 63 -7.577 -6.923 -17.060 1.00 0.00 C ATOM 1013 CG ARG A 63 -9.078 -7.086 -16.884 1.00 0.00 C ATOM 1014 CD ARG A 63 -9.581 -8.359 -17.547 1.00 0.00 C ATOM 1015 NE ARG A 63 -9.666 -8.224 -18.999 1.00 0.00 N ATOM 1016 CZ ARG A 63 -10.166 -9.161 -19.796 1.00 0.00 C ATOM 1017 NH1 ARG A 63 -10.624 -10.295 -19.286 1.00 0.00 N ATOM 1018 NH2 ARG A 63 -10.209 -8.964 -21.108 1.00 0.00 N ATOM 0 H ARG A 63 -7.184 -6.547 -14.631 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.296 -8.811 -16.075 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.301 -5.896 -16.821 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.323 -7.085 -18.107 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.321 -7.107 -15.822 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.591 -6.225 -17.311 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.914 -9.185 -17.298 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.564 -8.611 -17.148 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.322 -7.363 -19.424 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.593 -10.450 -18.278 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.007 -11.013 -19.901 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.858 -8.092 -21.505 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.593 -9.684 -21.720 1.00 0.00 H new ATOM 1032 N ASP A 64 -4.418 -7.345 -16.593 1.00 0.00 N ATOM 1033 CA ASP A 64 -3.094 -7.520 -17.178 1.00 0.00 C ATOM 1034 C ASP A 64 -2.403 -8.751 -16.601 1.00 0.00 C ATOM 1035 O ASP A 64 -1.985 -8.756 -15.442 1.00 0.00 O ATOM 1036 CB ASP A 64 -2.237 -6.277 -16.933 1.00 0.00 C ATOM 1037 CG ASP A 64 -1.094 -6.157 -17.922 1.00 0.00 C ATOM 1038 OD1 ASP A 64 -0.504 -7.200 -18.276 1.00 0.00 O ATOM 1039 OD2 ASP A 64 -0.790 -5.022 -18.342 1.00 0.00 O ATOM 0 H ASP A 64 -4.499 -6.547 -15.963 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.214 -7.663 -18.252 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.865 -5.388 -16.998 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.835 -6.310 -15.920 1.00 0.00 H new ATOM 1044 N PHE A 65 -2.287 -9.795 -17.415 1.00 0.00 N ATOM 1045 CA PHE A 65 -1.649 -11.034 -16.985 1.00 0.00 C ATOM 1046 C PHE A 65 -0.513 -11.416 -17.929 1.00 0.00 C ATOM 1047 O PHE A 65 -0.113 -12.579 -18.000 1.00 0.00 O ATOM 1048 CB PHE A 65 -2.676 -12.166 -16.920 1.00 0.00 C ATOM 1049 CG PHE A 65 -3.619 -12.054 -15.756 1.00 0.00 C ATOM 1050 CD1 PHE A 65 -3.133 -11.933 -14.464 1.00 0.00 C ATOM 1051 CD2 PHE A 65 -4.990 -12.069 -15.953 1.00 0.00 C ATOM 1052 CE1 PHE A 65 -3.998 -11.831 -13.391 1.00 0.00 C ATOM 1053 CE2 PHE A 65 -5.860 -11.967 -14.884 1.00 0.00 C ATOM 1054 CZ PHE A 65 -5.363 -11.846 -13.601 1.00 0.00 C ATOM 0 H PHE A 65 -2.627 -9.808 -18.377 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.233 -10.873 -15.990 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.253 -12.176 -17.845 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.151 -13.119 -16.861 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.067 -11.918 -14.294 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.384 -12.162 -16.954 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.607 -11.740 -12.389 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.927 -11.982 -15.052 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.040 -11.763 -12.764 1.00 0.00 H new ATOM 1064 N THR A 66 0.004 -10.429 -18.654 1.00 0.00 N ATOM 1065 CA THR A 66 1.093 -10.661 -19.595 1.00 0.00 C ATOM 1066 C THR A 66 2.441 -10.320 -18.970 1.00 0.00 C ATOM 1067 O THR A 66 3.486 -10.481 -19.601 1.00 0.00 O ATOM 1068 CB THR A 66 0.911 -9.832 -20.880 1.00 0.00 C ATOM 1069 OG1 THR A 66 1.914 -10.187 -21.838 1.00 0.00 O ATOM 1070 CG2 THR A 66 0.994 -8.343 -20.580 1.00 0.00 C ATOM 0 H THR A 66 -0.314 -9.461 -18.608 1.00 0.00 H new ATOM 0 HA THR A 66 1.071 -11.721 -19.849 1.00 0.00 H new ATOM 0 HB THR A 66 -0.075 -10.050 -21.289 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.760 -10.362 -21.376 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.863 -7.778 -21.503 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.211 -8.070 -19.873 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.968 -8.112 -20.149 1.00 0.00 H new ATOM 1078 N ASN A 67 2.411 -9.850 -17.728 1.00 0.00 N ATOM 1079 CA ASN A 67 3.632 -9.487 -17.018 1.00 0.00 C ATOM 1080 C ASN A 67 4.417 -10.731 -16.613 1.00 0.00 C ATOM 1081 O ASN A 67 5.648 -10.736 -16.641 1.00 0.00 O ATOM 1082 CB ASN A 67 3.298 -8.655 -15.778 1.00 0.00 C ATOM 1083 CG ASN A 67 2.087 -9.187 -15.035 1.00 0.00 C ATOM 1084 OD1 ASN A 67 1.002 -9.309 -15.602 1.00 0.00 O ATOM 1085 ND2 ASN A 67 2.270 -9.505 -13.758 1.00 0.00 N ATOM 0 H ASN A 67 1.554 -9.711 -17.192 1.00 0.00 H new ATOM 0 HA ASN A 67 4.250 -8.892 -17.691 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.157 -8.646 -15.108 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.114 -7.622 -16.075 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.492 -9.867 -13.206 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.188 -9.387 -13.330 1.00 0.00 H new ATOM 1092 N ILE A 68 3.696 -11.783 -16.240 1.00 0.00 N ATOM 1093 CA ILE A 68 4.325 -13.033 -15.831 1.00 0.00 C ATOM 1094 C ILE A 68 3.947 -14.171 -16.773 1.00 0.00 C ATOM 1095 O ILE A 68 3.186 -13.979 -17.721 1.00 0.00 O ATOM 1096 CB ILE A 68 3.930 -13.418 -14.393 1.00 0.00 C ATOM 1097 CG1 ILE A 68 2.417 -13.620 -14.293 1.00 0.00 C ATOM 1098 CG2 ILE A 68 4.394 -12.351 -13.413 1.00 0.00 C ATOM 1099 CD1 ILE A 68 1.972 -14.217 -12.977 1.00 0.00 C ATOM 0 H ILE A 68 2.676 -11.795 -16.213 1.00 0.00 H new ATOM 0 HA ILE A 68 5.402 -12.873 -15.872 1.00 0.00 H new ATOM 0 HB ILE A 68 4.420 -14.357 -14.136 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.921 -12.660 -14.433 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.091 -14.269 -15.106 1.00 0.00 H new ATOM 0 HG21 ILE A 68 4.108 -12.637 -12.401 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.478 -12.252 -13.469 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.929 -11.398 -13.666 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.888 -14.332 -12.977 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.440 -15.192 -12.843 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.267 -13.558 -12.160 1.00 0.00 H new ATOM 1111 N SER A 69 4.482 -15.357 -16.503 1.00 0.00 N ATOM 1112 CA SER A 69 4.203 -16.528 -17.327 1.00 0.00 C ATOM 1113 C SER A 69 3.221 -17.463 -16.627 1.00 0.00 C ATOM 1114 O SER A 69 2.340 -18.041 -17.261 1.00 0.00 O ATOM 1115 CB SER A 69 5.499 -17.275 -17.645 1.00 0.00 C ATOM 1116 OG SER A 69 6.328 -16.514 -18.506 1.00 0.00 O ATOM 0 H SER A 69 5.111 -15.533 -15.720 1.00 0.00 H new ATOM 0 HA SER A 69 3.752 -16.187 -18.259 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.033 -17.493 -16.720 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.266 -18.232 -18.112 1.00 0.00 H new ATOM 0 HG SER A 69 7.151 -17.013 -18.693 1.00 0.00 H new ATOM 1122 N GLN A 70 3.383 -17.606 -15.316 1.00 0.00 N ATOM 1123 CA GLN A 70 2.512 -18.472 -14.529 1.00 0.00 C ATOM 1124 C GLN A 70 2.428 -17.991 -13.084 1.00 0.00 C ATOM 1125 O GLN A 70 3.437 -17.635 -12.478 1.00 0.00 O ATOM 1126 CB GLN A 70 3.020 -19.914 -14.570 1.00 0.00 C ATOM 1127 CG GLN A 70 2.807 -20.596 -15.912 1.00 0.00 C ATOM 1128 CD GLN A 70 1.341 -20.818 -16.228 1.00 0.00 C ATOM 1129 OE1 GLN A 70 0.642 -21.537 -15.513 1.00 0.00 O ATOM 1130 NE2 GLN A 70 0.866 -20.200 -17.303 1.00 0.00 N ATOM 0 H GLN A 70 4.108 -17.134 -14.776 1.00 0.00 H new ATOM 0 HA GLN A 70 1.513 -18.433 -14.964 1.00 0.00 H new ATOM 0 HB2 GLN A 70 4.084 -19.923 -14.332 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.515 -20.490 -13.795 1.00 0.00 H new ATOM 0 HG2 GLN A 70 3.256 -19.990 -16.699 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.324 -21.555 -15.914 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.481 -19.613 -17.867 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.114 -20.312 -17.564 1.00 0.00 H new ATOM 1139 N GLY A 71 1.215 -17.983 -12.538 1.00 0.00 N ATOM 1140 CA GLY A 71 1.021 -17.543 -11.169 1.00 0.00 C ATOM 1141 C GLY A 71 -0.240 -18.113 -10.550 1.00 0.00 C ATOM 1142 O GLY A 71 -1.280 -18.190 -11.204 1.00 0.00 O ATOM 0 H GLY A 71 0.364 -18.273 -13.020 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.882 -17.839 -10.570 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.974 -16.454 -11.144 1.00 0.00 H new ATOM 1146 N SER A 72 -0.147 -18.515 -9.286 1.00 0.00 N ATOM 1147 CA SER A 72 -1.288 -19.087 -8.581 1.00 0.00 C ATOM 1148 C SER A 72 -1.935 -18.051 -7.666 1.00 0.00 C ATOM 1149 O SER A 72 -3.106 -18.170 -7.307 1.00 0.00 O ATOM 1150 CB SER A 72 -0.852 -20.304 -7.763 1.00 0.00 C ATOM 1151 OG SER A 72 -0.795 -21.467 -8.571 1.00 0.00 O ATOM 0 H SER A 72 0.706 -18.455 -8.730 1.00 0.00 H new ATOM 0 HA SER A 72 -2.022 -19.401 -9.323 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.126 -20.117 -7.320 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.550 -20.462 -6.941 1.00 0.00 H new ATOM 0 HG SER A 72 -0.512 -22.231 -8.026 1.00 0.00 H new ATOM 1157 N ASN A 73 -1.163 -17.036 -7.293 1.00 0.00 N ATOM 1158 CA ASN A 73 -1.660 -15.979 -6.419 1.00 0.00 C ATOM 1159 C ASN A 73 -1.516 -14.612 -7.083 1.00 0.00 C ATOM 1160 O ASN A 73 -0.561 -13.874 -6.839 1.00 0.00 O ATOM 1161 CB ASN A 73 -0.907 -15.993 -5.087 1.00 0.00 C ATOM 1162 CG ASN A 73 -0.816 -17.384 -4.490 1.00 0.00 C ATOM 1163 OD1 ASN A 73 -0.448 -18.342 -5.170 1.00 0.00 O ATOM 1164 ND2 ASN A 73 -1.153 -17.501 -3.211 1.00 0.00 N ATOM 0 H ASN A 73 -0.191 -16.923 -7.582 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.718 -16.164 -6.232 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.098 -15.598 -5.236 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.408 -15.330 -4.382 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.112 -18.412 -2.754 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.452 -16.680 -2.685 1.00 0.00 H new ATOM 1171 N PRO A 74 -2.486 -14.266 -7.941 1.00 0.00 N ATOM 1172 CA PRO A 74 -2.491 -12.987 -8.656 1.00 0.00 C ATOM 1173 C PRO A 74 -2.755 -11.805 -7.729 1.00 0.00 C ATOM 1174 O PRO A 74 -2.961 -11.980 -6.528 1.00 0.00 O ATOM 1175 CB PRO A 74 -3.637 -13.145 -9.659 1.00 0.00 C ATOM 1176 CG PRO A 74 -4.543 -14.155 -9.043 1.00 0.00 C ATOM 1177 CD PRO A 74 -3.654 -15.097 -8.279 1.00 0.00 C ATOM 0 HA PRO A 74 -1.527 -12.776 -9.119 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.152 -12.199 -9.823 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.271 -13.481 -10.629 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -5.267 -13.678 -8.382 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.111 -14.687 -9.806 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.147 -15.479 -7.385 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.372 -15.961 -8.881 1.00 0.00 H new ATOM 1185 N HIS A 75 -2.747 -10.602 -8.294 1.00 0.00 N ATOM 1186 CA HIS A 75 -2.987 -9.391 -7.517 1.00 0.00 C ATOM 1187 C HIS A 75 -4.433 -8.929 -7.664 1.00 0.00 C ATOM 1188 O HIS A 75 -5.197 -9.487 -8.453 1.00 0.00 O ATOM 1189 CB HIS A 75 -2.036 -8.279 -7.961 1.00 0.00 C ATOM 1190 CG HIS A 75 -2.111 -7.975 -9.426 1.00 0.00 C ATOM 1191 ND1 HIS A 75 -1.644 -8.835 -10.397 1.00 0.00 N ATOM 1192 CD2 HIS A 75 -2.605 -6.899 -10.083 1.00 0.00 C ATOM 1193 CE1 HIS A 75 -1.846 -8.300 -11.589 1.00 0.00 C ATOM 1194 NE2 HIS A 75 -2.428 -7.126 -11.425 1.00 0.00 N ATOM 0 H HIS A 75 -2.577 -10.440 -9.287 1.00 0.00 H new ATOM 0 HA HIS A 75 -2.802 -9.619 -6.467 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.262 -7.373 -7.398 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.014 -8.564 -7.709 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -3.054 -6.025 -9.635 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -1.580 -8.747 -12.536 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -2.702 -6.491 -12.174 1.00 0.00 H new ATOM 1203 N CYS A 76 -4.803 -7.907 -6.900 1.00 0.00 N ATOM 1204 CA CYS A 76 -6.159 -7.371 -6.944 1.00 0.00 C ATOM 1205 C CYS A 76 -6.195 -6.043 -7.695 1.00 0.00 C ATOM 1206 O CYS A 76 -7.118 -5.778 -8.464 1.00 0.00 O ATOM 1207 CB CYS A 76 -6.702 -7.184 -5.527 1.00 0.00 C ATOM 1208 SG CYS A 76 -8.326 -6.392 -5.457 1.00 0.00 S ATOM 0 H CYS A 76 -4.183 -7.433 -6.243 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.788 -8.085 -7.475 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -6.764 -8.158 -5.042 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -5.993 -6.586 -4.954 1.00 0.00 H new ATOM 0 HG CYS A 76 -8.701 -6.280 -4.217 1.00 0.00 H new ATOM 1214 N PHE A 77 -5.183 -5.213 -7.465 1.00 0.00 N ATOM 1215 CA PHE A 77 -5.100 -3.911 -8.117 1.00 0.00 C ATOM 1216 C PHE A 77 -3.656 -3.575 -8.478 1.00 0.00 C ATOM 1217 O PHE A 77 -2.719 -4.171 -7.948 1.00 0.00 O ATOM 1218 CB PHE A 77 -5.676 -2.823 -7.208 1.00 0.00 C ATOM 1219 CG PHE A 77 -4.926 -2.662 -5.917 1.00 0.00 C ATOM 1220 CD1 PHE A 77 -5.133 -3.539 -4.865 1.00 0.00 C ATOM 1221 CD2 PHE A 77 -4.013 -1.632 -5.755 1.00 0.00 C ATOM 1222 CE1 PHE A 77 -4.444 -3.393 -3.676 1.00 0.00 C ATOM 1223 CE2 PHE A 77 -3.321 -1.481 -4.569 1.00 0.00 C ATOM 1224 CZ PHE A 77 -3.537 -2.362 -3.527 1.00 0.00 C ATOM 0 H PHE A 77 -4.410 -5.418 -6.833 1.00 0.00 H new ATOM 0 HA PHE A 77 -5.686 -3.955 -9.035 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.671 -1.873 -7.743 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.717 -3.059 -6.987 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.841 -4.347 -4.975 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.841 -0.939 -6.565 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.615 -4.084 -2.864 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.611 -0.675 -4.456 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.998 -2.245 -2.598 1.00 0.00 H new ATOM 1234 N GLU A 78 -3.486 -2.617 -9.384 1.00 0.00 N ATOM 1235 CA GLU A 78 -2.157 -2.204 -9.818 1.00 0.00 C ATOM 1236 C GLU A 78 -1.902 -0.740 -9.470 1.00 0.00 C ATOM 1237 O GLU A 78 -2.789 0.104 -9.606 1.00 0.00 O ATOM 1238 CB GLU A 78 -1.998 -2.416 -11.324 1.00 0.00 C ATOM 1239 CG GLU A 78 -2.757 -3.622 -11.852 1.00 0.00 C ATOM 1240 CD GLU A 78 -2.196 -4.136 -13.164 1.00 0.00 C ATOM 1241 OE1 GLU A 78 -1.198 -3.561 -13.648 1.00 0.00 O ATOM 1242 OE2 GLU A 78 -2.755 -5.111 -13.707 1.00 0.00 O ATOM 0 H GLU A 78 -4.252 -2.113 -9.831 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.425 -2.818 -9.293 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.342 -1.523 -11.846 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.939 -2.533 -11.556 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.725 -4.420 -11.110 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.805 -3.356 -11.989 1.00 0.00 H new ATOM 1249 N ILE A 79 -0.687 -0.447 -9.020 1.00 0.00 N ATOM 1250 CA ILE A 79 -0.316 0.914 -8.653 1.00 0.00 C ATOM 1251 C ILE A 79 0.719 1.481 -9.620 1.00 0.00 C ATOM 1252 O ILE A 79 1.910 1.187 -9.513 1.00 0.00 O ATOM 1253 CB ILE A 79 0.248 0.977 -7.221 1.00 0.00 C ATOM 1254 CG1 ILE A 79 -0.703 0.282 -6.245 1.00 0.00 C ATOM 1255 CG2 ILE A 79 0.478 2.423 -6.806 1.00 0.00 C ATOM 1256 CD1 ILE A 79 -0.133 0.129 -4.852 1.00 0.00 C ATOM 0 H ILE A 79 0.058 -1.134 -8.901 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.225 1.514 -8.704 1.00 0.00 H new ATOM 0 HB ILE A 79 1.205 0.456 -7.199 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.632 0.850 -6.189 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.955 -0.704 -6.636 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.877 2.451 -5.792 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.189 2.889 -7.489 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.467 2.966 -6.840 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.861 -0.372 -4.214 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.780 -0.465 -4.896 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.093 1.113 -4.441 1.00 0.00 H new ATOM 1268 N ILE A 80 0.256 2.296 -10.561 1.00 0.00 N ATOM 1269 CA ILE A 80 1.141 2.907 -11.545 1.00 0.00 C ATOM 1270 C ILE A 80 1.622 4.277 -11.076 1.00 0.00 C ATOM 1271 O ILE A 80 0.822 5.188 -10.861 1.00 0.00 O ATOM 1272 CB ILE A 80 0.446 3.059 -12.911 1.00 0.00 C ATOM 1273 CG1 ILE A 80 0.188 1.685 -13.532 1.00 0.00 C ATOM 1274 CG2 ILE A 80 1.289 3.918 -13.842 1.00 0.00 C ATOM 1275 CD1 ILE A 80 -1.071 1.018 -13.023 1.00 0.00 C ATOM 0 H ILE A 80 -0.727 2.549 -10.663 1.00 0.00 H new ATOM 0 HA ILE A 80 1.997 2.242 -11.655 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.513 3.555 -12.761 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.121 1.792 -14.615 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.041 1.037 -13.328 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.784 4.016 -14.803 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.426 4.906 -13.402 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.262 3.449 -13.989 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.190 0.048 -13.506 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.999 0.879 -11.944 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.933 1.645 -13.251 1.00 0.00 H new ATOM 1287 N THR A 81 2.935 4.416 -10.922 1.00 0.00 N ATOM 1288 CA THR A 81 3.523 5.674 -10.480 1.00 0.00 C ATOM 1289 C THR A 81 4.257 6.369 -11.622 1.00 0.00 C ATOM 1290 O THR A 81 4.510 5.769 -12.666 1.00 0.00 O ATOM 1291 CB THR A 81 4.503 5.456 -9.312 1.00 0.00 C ATOM 1292 OG1 THR A 81 5.528 4.533 -9.698 1.00 0.00 O ATOM 1293 CG2 THR A 81 3.774 4.930 -8.085 1.00 0.00 C ATOM 0 H THR A 81 3.611 3.673 -11.097 1.00 0.00 H new ATOM 0 HA THR A 81 2.701 6.306 -10.142 1.00 0.00 H new ATOM 0 HB THR A 81 4.955 6.416 -9.062 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.118 3.695 -9.996 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.487 4.784 -7.273 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.015 5.649 -7.777 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.297 3.980 -8.325 1.00 0.00 H new ATOM 1301 N ASP A 82 4.597 7.636 -11.415 1.00 0.00 N ATOM 1302 CA ASP A 82 5.304 8.413 -12.427 1.00 0.00 C ATOM 1303 C ASP A 82 6.682 7.819 -12.703 1.00 0.00 C ATOM 1304 O ASP A 82 7.380 8.242 -13.626 1.00 0.00 O ATOM 1305 CB ASP A 82 5.444 9.868 -11.979 1.00 0.00 C ATOM 1306 CG ASP A 82 5.563 10.826 -13.148 1.00 0.00 C ATOM 1307 OD1 ASP A 82 4.900 10.588 -14.179 1.00 0.00 O ATOM 1308 OD2 ASP A 82 6.321 11.812 -13.033 1.00 0.00 O ATOM 0 H ASP A 82 4.395 8.147 -10.556 1.00 0.00 H new ATOM 0 HA ASP A 82 4.721 8.379 -13.348 1.00 0.00 H new ATOM 0 HB2 ASP A 82 4.580 10.143 -11.374 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.323 9.966 -11.342 1.00 0.00 H new ATOM 1313 N THR A 83 7.070 6.836 -11.896 1.00 0.00 N ATOM 1314 CA THR A 83 8.364 6.185 -12.052 1.00 0.00 C ATOM 1315 C THR A 83 8.215 4.807 -12.688 1.00 0.00 C ATOM 1316 O THR A 83 8.545 4.614 -13.857 1.00 0.00 O ATOM 1317 CB THR A 83 9.085 6.037 -10.699 1.00 0.00 C ATOM 1318 OG1 THR A 83 8.262 5.309 -9.782 1.00 0.00 O ATOM 1319 CG2 THR A 83 9.421 7.401 -10.113 1.00 0.00 C ATOM 0 H THR A 83 6.506 6.474 -11.128 1.00 0.00 H new ATOM 0 HA THR A 83 8.960 6.821 -12.706 1.00 0.00 H new ATOM 0 HB THR A 83 10.014 5.491 -10.865 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.693 4.457 -9.561 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.930 7.271 -9.158 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.072 7.942 -10.800 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.503 7.968 -9.961 1.00 0.00 H new ATOM 1327 N MET A 84 7.714 3.853 -11.910 1.00 0.00 N ATOM 1328 CA MET A 84 7.519 2.493 -12.399 1.00 0.00 C ATOM 1329 C MET A 84 6.163 1.948 -11.963 1.00 0.00 C ATOM 1330 O MET A 84 5.474 2.553 -11.142 1.00 0.00 O ATOM 1331 CB MET A 84 8.636 1.580 -11.889 1.00 0.00 C ATOM 1332 CG MET A 84 9.833 1.504 -12.824 1.00 0.00 C ATOM 1333 SD MET A 84 9.489 0.552 -14.316 1.00 0.00 S ATOM 1334 CE MET A 84 9.511 -1.117 -13.665 1.00 0.00 C ATOM 0 H MET A 84 7.436 3.996 -10.939 1.00 0.00 H new ATOM 0 HA MET A 84 7.548 2.517 -13.488 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.969 1.936 -10.914 1.00 0.00 H new ATOM 0 HB3 MET A 84 8.236 0.577 -11.742 1.00 0.00 H new ATOM 0 HG2 MET A 84 10.136 2.513 -13.103 1.00 0.00 H new ATOM 0 HG3 MET A 84 10.674 1.054 -12.296 1.00 0.00 H new ATOM 0 HE1 MET A 84 9.296 -1.823 -14.467 1.00 0.00 H new ATOM 0 HE2 MET A 84 10.494 -1.331 -13.247 1.00 0.00 H new ATOM 0 HE3 MET A 84 8.756 -1.213 -12.885 1.00 0.00 H new ATOM 1344 N VAL A 85 5.784 0.802 -12.519 1.00 0.00 N ATOM 1345 CA VAL A 85 4.510 0.175 -12.188 1.00 0.00 C ATOM 1346 C VAL A 85 4.677 -0.855 -11.076 1.00 0.00 C ATOM 1347 O VAL A 85 5.682 -1.564 -11.019 1.00 0.00 O ATOM 1348 CB VAL A 85 3.884 -0.509 -13.418 1.00 0.00 C ATOM 1349 CG1 VAL A 85 2.553 -1.149 -13.053 1.00 0.00 C ATOM 1350 CG2 VAL A 85 3.713 0.488 -14.553 1.00 0.00 C ATOM 0 H VAL A 85 6.342 0.288 -13.201 1.00 0.00 H new ATOM 0 HA VAL A 85 3.846 0.969 -11.847 1.00 0.00 H new ATOM 0 HB VAL A 85 4.558 -1.296 -13.756 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.125 -1.627 -13.934 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.710 -1.896 -12.275 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.869 -0.383 -12.688 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.269 -0.013 -15.414 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.061 1.299 -14.229 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.686 0.893 -14.831 1.00 0.00 H new ATOM 1360 N TYR A 86 3.686 -0.932 -10.195 1.00 0.00 N ATOM 1361 CA TYR A 86 3.723 -1.875 -9.083 1.00 0.00 C ATOM 1362 C TYR A 86 2.462 -2.732 -9.053 1.00 0.00 C ATOM 1363 O TYR A 86 1.405 -2.319 -9.530 1.00 0.00 O ATOM 1364 CB TYR A 86 3.877 -1.126 -7.758 1.00 0.00 C ATOM 1365 CG TYR A 86 5.023 -0.141 -7.749 1.00 0.00 C ATOM 1366 CD1 TYR A 86 6.295 -0.520 -8.161 1.00 0.00 C ATOM 1367 CD2 TYR A 86 4.835 1.170 -7.326 1.00 0.00 C ATOM 1368 CE1 TYR A 86 7.345 0.377 -8.153 1.00 0.00 C ATOM 1369 CE2 TYR A 86 5.880 2.074 -7.317 1.00 0.00 C ATOM 1370 CZ TYR A 86 7.133 1.673 -7.731 1.00 0.00 C ATOM 1371 OH TYR A 86 8.176 2.570 -7.721 1.00 0.00 O ATOM 0 H TYR A 86 2.847 -0.353 -10.229 1.00 0.00 H new ATOM 0 HA TYR A 86 4.582 -2.531 -9.224 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.950 -0.594 -7.541 1.00 0.00 H new ATOM 0 HB3 TYR A 86 4.025 -1.850 -6.956 1.00 0.00 H new ATOM 0 HD1 TYR A 86 6.465 -1.533 -8.493 1.00 0.00 H new ATOM 0 HD2 TYR A 86 3.856 1.487 -6.999 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.327 0.065 -8.476 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.716 3.089 -6.987 1.00 0.00 H new ATOM 0 HH TYR A 86 7.857 3.438 -7.398 1.00 0.00 H new ATOM 1381 N PHE A 87 2.582 -3.929 -8.489 1.00 0.00 N ATOM 1382 CA PHE A 87 1.452 -4.847 -8.396 1.00 0.00 C ATOM 1383 C PHE A 87 1.296 -5.374 -6.973 1.00 0.00 C ATOM 1384 O PHE A 87 2.171 -6.069 -6.456 1.00 0.00 O ATOM 1385 CB PHE A 87 1.635 -6.015 -9.367 1.00 0.00 C ATOM 1386 CG PHE A 87 1.764 -5.587 -10.801 1.00 0.00 C ATOM 1387 CD1 PHE A 87 2.954 -5.058 -11.275 1.00 0.00 C ATOM 1388 CD2 PHE A 87 0.697 -5.714 -11.675 1.00 0.00 C ATOM 1389 CE1 PHE A 87 3.076 -4.663 -12.594 1.00 0.00 C ATOM 1390 CE2 PHE A 87 0.813 -5.321 -12.995 1.00 0.00 C ATOM 1391 CZ PHE A 87 2.004 -4.796 -13.456 1.00 0.00 C ATOM 0 H PHE A 87 3.450 -4.286 -8.089 1.00 0.00 H new ATOM 0 HA PHE A 87 0.548 -4.300 -8.664 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.524 -6.578 -9.083 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.786 -6.692 -9.273 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.796 -4.953 -10.606 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.237 -6.125 -11.321 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.008 -4.251 -12.951 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.027 -5.424 -13.665 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.098 -4.490 -14.488 1.00 0.00 H new ATOM 1401 N VAL A 88 0.174 -5.038 -6.343 1.00 0.00 N ATOM 1402 CA VAL A 88 -0.098 -5.478 -4.980 1.00 0.00 C ATOM 1403 C VAL A 88 -1.360 -6.331 -4.919 1.00 0.00 C ATOM 1404 O VAL A 88 -2.325 -6.084 -5.642 1.00 0.00 O ATOM 1405 CB VAL A 88 -0.256 -4.279 -4.025 1.00 0.00 C ATOM 1406 CG1 VAL A 88 -0.020 -4.709 -2.585 1.00 0.00 C ATOM 1407 CG2 VAL A 88 0.693 -3.157 -4.417 1.00 0.00 C ATOM 0 H VAL A 88 -0.561 -4.463 -6.755 1.00 0.00 H new ATOM 0 HA VAL A 88 0.757 -6.076 -4.664 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.277 -3.905 -4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.136 -3.849 -1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.744 -5.477 -2.311 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.989 -5.110 -2.486 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.568 -2.319 -3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.721 -3.516 -4.367 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.471 -2.831 -5.433 1.00 0.00 H new ATOM 1417 N GLY A 89 -1.346 -7.338 -4.051 1.00 0.00 N ATOM 1418 CA GLY A 89 -2.495 -8.214 -3.912 1.00 0.00 C ATOM 1419 C GLY A 89 -2.122 -9.680 -4.012 1.00 0.00 C ATOM 1420 O GLY A 89 -1.335 -10.068 -4.874 1.00 0.00 O ATOM 0 H GLY A 89 -0.560 -7.563 -3.442 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.975 -8.029 -2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.226 -7.975 -4.684 1.00 0.00 H new ATOM 1424 N GLU A 90 -2.688 -10.494 -3.127 1.00 0.00 N ATOM 1425 CA GLU A 90 -2.408 -11.925 -3.119 1.00 0.00 C ATOM 1426 C GLU A 90 -3.659 -12.722 -2.759 1.00 0.00 C ATOM 1427 O GLU A 90 -4.109 -12.706 -1.614 1.00 0.00 O ATOM 1428 CB GLU A 90 -1.285 -12.242 -2.129 1.00 0.00 C ATOM 1429 CG GLU A 90 -1.166 -13.720 -1.796 1.00 0.00 C ATOM 1430 CD GLU A 90 0.227 -14.105 -1.339 1.00 0.00 C ATOM 1431 OE1 GLU A 90 0.898 -13.261 -0.708 1.00 0.00 O ATOM 1432 OE2 GLU A 90 0.647 -15.248 -1.613 1.00 0.00 O ATOM 0 H GLU A 90 -3.342 -10.188 -2.407 1.00 0.00 H new ATOM 0 HA GLU A 90 -2.091 -12.213 -4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.338 -11.894 -2.543 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.455 -11.683 -1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.883 -13.971 -1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.432 -14.309 -2.674 1.00 0.00 H new ATOM 1439 N ASN A 91 -4.214 -13.418 -3.745 1.00 0.00 N ATOM 1440 CA ASN A 91 -5.413 -14.221 -3.534 1.00 0.00 C ATOM 1441 C ASN A 91 -5.058 -15.695 -3.364 1.00 0.00 C ATOM 1442 O ASN A 91 -4.415 -16.292 -4.226 1.00 0.00 O ATOM 1443 CB ASN A 91 -6.381 -14.050 -4.707 1.00 0.00 C ATOM 1444 CG ASN A 91 -6.551 -12.597 -5.108 1.00 0.00 C ATOM 1445 OD1 ASN A 91 -5.752 -11.739 -4.731 1.00 0.00 O ATOM 1446 ND2 ASN A 91 -7.597 -12.315 -5.876 1.00 0.00 N ATOM 0 H ASN A 91 -3.853 -13.442 -4.699 1.00 0.00 H new ATOM 0 HA ASN A 91 -5.896 -13.874 -2.620 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.016 -14.620 -5.562 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.352 -14.466 -4.437 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -7.764 -11.355 -6.178 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.233 -13.058 -6.164 1.00 0.00 H new ATOM 1453 N ASN A 92 -5.483 -16.275 -2.246 1.00 0.00 N ATOM 1454 CA ASN A 92 -5.210 -17.680 -1.963 1.00 0.00 C ATOM 1455 C ASN A 92 -6.283 -18.576 -2.574 1.00 0.00 C ATOM 1456 O ASN A 92 -6.729 -19.540 -1.952 1.00 0.00 O ATOM 1457 CB ASN A 92 -5.135 -17.912 -0.452 1.00 0.00 C ATOM 1458 CG ASN A 92 -6.492 -17.804 0.217 1.00 0.00 C ATOM 1459 OD1 ASN A 92 -7.181 -18.805 0.413 1.00 0.00 O ATOM 1460 ND2 ASN A 92 -6.881 -16.585 0.571 1.00 0.00 N ATOM 0 H ASN A 92 -6.017 -15.795 -1.522 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.250 -17.936 -2.411 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.715 -18.899 -0.259 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.455 -17.184 -0.009 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.784 -16.450 1.025 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.277 -15.784 0.389 1.00 0.00 H new ATOM 1467 N GLY A 93 -6.692 -18.252 -3.797 1.00 0.00 N ATOM 1468 CA GLY A 93 -7.708 -19.037 -4.472 1.00 0.00 C ATOM 1469 C GLY A 93 -8.880 -19.369 -3.569 1.00 0.00 C ATOM 1470 O GLY A 93 -9.523 -20.406 -3.731 1.00 0.00 O ATOM 0 H GLY A 93 -6.337 -17.459 -4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.068 -18.488 -5.342 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -7.263 -19.962 -4.840 1.00 0.00 H new ATOM 1474 N ASP A 94 -9.156 -18.487 -2.614 1.00 0.00 N ATOM 1475 CA ASP A 94 -10.258 -18.692 -1.681 1.00 0.00 C ATOM 1476 C ASP A 94 -10.617 -17.390 -0.970 1.00 0.00 C ATOM 1477 O ASP A 94 -9.738 -16.624 -0.577 1.00 0.00 O ATOM 1478 CB ASP A 94 -9.892 -19.764 -0.653 1.00 0.00 C ATOM 1479 CG ASP A 94 -11.109 -20.489 -0.115 1.00 0.00 C ATOM 1480 OD1 ASP A 94 -11.841 -21.100 -0.922 1.00 0.00 O ATOM 1481 OD2 ASP A 94 -11.331 -20.447 1.114 1.00 0.00 O ATOM 0 H ASP A 94 -8.632 -17.624 -2.466 1.00 0.00 H new ATOM 0 HA ASP A 94 -11.126 -19.026 -2.250 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -9.215 -20.486 -1.110 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.353 -19.301 0.174 1.00 0.00 H new ATOM 1486 N SER A 95 -11.914 -17.147 -0.811 1.00 0.00 N ATOM 1487 CA SER A 95 -12.389 -15.936 -0.153 1.00 0.00 C ATOM 1488 C SER A 95 -13.405 -16.272 0.935 1.00 0.00 C ATOM 1489 O SER A 95 -14.490 -15.693 0.986 1.00 0.00 O ATOM 1490 CB SER A 95 -13.015 -14.986 -1.176 1.00 0.00 C ATOM 1491 OG SER A 95 -12.021 -14.379 -1.983 1.00 0.00 O ATOM 0 H SER A 95 -12.654 -17.773 -1.129 1.00 0.00 H new ATOM 0 HA SER A 95 -11.534 -15.445 0.312 1.00 0.00 H new ATOM 0 HB2 SER A 95 -13.714 -15.535 -1.806 1.00 0.00 H new ATOM 0 HB3 SER A 95 -13.588 -14.216 -0.659 1.00 0.00 H new ATOM 0 HG SER A 95 -12.429 -14.044 -2.808 1.00 0.00 H new ATOM 1497 N SER A 96 -13.045 -17.212 1.802 1.00 0.00 N ATOM 1498 CA SER A 96 -13.926 -17.629 2.887 1.00 0.00 C ATOM 1499 C SER A 96 -13.760 -16.721 4.101 1.00 0.00 C ATOM 1500 O SER A 96 -14.251 -17.023 5.189 1.00 0.00 O ATOM 1501 CB SER A 96 -13.637 -19.080 3.278 1.00 0.00 C ATOM 1502 OG SER A 96 -14.706 -19.628 4.029 1.00 0.00 O ATOM 0 H SER A 96 -12.150 -17.700 1.775 1.00 0.00 H new ATOM 0 HA SER A 96 -14.955 -17.553 2.536 1.00 0.00 H new ATOM 0 HB2 SER A 96 -13.476 -19.677 2.380 1.00 0.00 H new ATOM 0 HB3 SER A 96 -12.717 -19.127 3.861 1.00 0.00 H new ATOM 0 HG SER A 96 -14.996 -18.981 4.706 1.00 0.00 H new ATOM 1508 N HIS A 97 -13.065 -15.605 3.907 1.00 0.00 N ATOM 1509 CA HIS A 97 -12.834 -14.650 4.985 1.00 0.00 C ATOM 1510 C HIS A 97 -11.970 -15.267 6.081 1.00 0.00 C ATOM 1511 O HIS A 97 -12.158 -14.987 7.264 1.00 0.00 O ATOM 1512 CB HIS A 97 -14.165 -14.181 5.573 1.00 0.00 C ATOM 1513 CG HIS A 97 -14.094 -12.828 6.212 1.00 0.00 C ATOM 1514 ND1 HIS A 97 -14.616 -11.692 5.630 1.00 0.00 N ATOM 1515 CD2 HIS A 97 -13.558 -12.433 7.391 1.00 0.00 C ATOM 1516 CE1 HIS A 97 -14.403 -10.657 6.423 1.00 0.00 C ATOM 1517 NE2 HIS A 97 -13.764 -11.079 7.498 1.00 0.00 N ATOM 0 H HIS A 97 -12.652 -15.340 3.013 1.00 0.00 H new ATOM 0 HA HIS A 97 -12.306 -13.792 4.570 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -14.915 -14.161 4.783 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -14.501 -14.906 6.314 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -13.061 -13.065 8.113 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -14.701 -9.638 6.225 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -13.471 -10.495 8.281 1.00 0.00 H new ATOM 1526 N ASN A 98 -11.023 -16.108 5.678 1.00 0.00 N ATOM 1527 CA ASN A 98 -10.131 -16.766 6.626 1.00 0.00 C ATOM 1528 C ASN A 98 -9.491 -15.749 7.566 1.00 0.00 C ATOM 1529 O ASN A 98 -8.808 -14.817 7.140 1.00 0.00 O ATOM 1530 CB ASN A 98 -9.044 -17.543 5.881 1.00 0.00 C ATOM 1531 CG ASN A 98 -9.492 -18.941 5.498 1.00 0.00 C ATOM 1532 OD1 ASN A 98 -10.631 -19.147 5.078 1.00 0.00 O ATOM 1533 ND2 ASN A 98 -8.596 -19.910 5.643 1.00 0.00 N ATOM 0 H ASN A 98 -10.854 -16.350 4.702 1.00 0.00 H new ATOM 0 HA ASN A 98 -10.723 -17.462 7.220 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -8.762 -16.996 4.982 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.154 -17.608 6.507 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -8.840 -20.871 5.403 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -7.663 -19.694 5.995 1.00 0.00 H new ATOM 1540 N PRO A 99 -9.715 -15.931 8.876 1.00 0.00 N ATOM 1541 CA PRO A 99 -9.168 -15.040 9.903 1.00 0.00 C ATOM 1542 C PRO A 99 -7.655 -15.176 10.043 1.00 0.00 C ATOM 1543 O PRO A 99 -6.984 -14.272 10.541 1.00 0.00 O ATOM 1544 CB PRO A 99 -9.867 -15.504 11.183 1.00 0.00 C ATOM 1545 CG PRO A 99 -10.224 -16.927 10.926 1.00 0.00 C ATOM 1546 CD PRO A 99 -10.519 -17.020 9.454 1.00 0.00 C ATOM 0 HA PRO A 99 -9.338 -13.990 9.664 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -9.211 -15.411 12.048 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.754 -14.905 11.389 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -9.405 -17.591 11.203 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -11.090 -17.225 11.517 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -10.233 -17.990 9.047 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -11.581 -16.888 9.248 1.00 0.00 H new ATOM 1554 N VAL A 100 -7.125 -16.312 9.601 1.00 0.00 N ATOM 1555 CA VAL A 100 -5.691 -16.566 9.676 1.00 0.00 C ATOM 1556 C VAL A 100 -4.955 -15.908 8.514 1.00 0.00 C ATOM 1557 O VAL A 100 -3.872 -15.348 8.689 1.00 0.00 O ATOM 1558 CB VAL A 100 -5.388 -18.076 9.672 1.00 0.00 C ATOM 1559 CG1 VAL A 100 -5.835 -18.708 8.363 1.00 0.00 C ATOM 1560 CG2 VAL A 100 -3.906 -18.322 9.913 1.00 0.00 C ATOM 0 H VAL A 100 -7.667 -17.071 9.187 1.00 0.00 H new ATOM 0 HA VAL A 100 -5.342 -16.135 10.614 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.948 -18.543 10.482 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.612 -19.775 8.379 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.908 -18.563 8.237 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -5.305 -18.240 7.533 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -3.709 -19.394 9.907 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -3.325 -17.842 9.126 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -3.621 -17.906 10.879 1.00 0.00 H new ATOM 1570 N LEU A 101 -5.550 -15.979 7.328 1.00 0.00 N ATOM 1571 CA LEU A 101 -4.951 -15.390 6.136 1.00 0.00 C ATOM 1572 C LEU A 101 -4.871 -13.872 6.261 1.00 0.00 C ATOM 1573 O LEU A 101 -3.784 -13.305 6.372 1.00 0.00 O ATOM 1574 CB LEU A 101 -5.760 -15.769 4.894 1.00 0.00 C ATOM 1575 CG LEU A 101 -5.798 -17.257 4.546 1.00 0.00 C ATOM 1576 CD1 LEU A 101 -6.506 -17.477 3.218 1.00 0.00 C ATOM 1577 CD2 LEU A 101 -4.389 -17.830 4.503 1.00 0.00 C ATOM 0 H LEU A 101 -6.446 -16.438 7.167 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.939 -15.782 6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.784 -15.423 5.032 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.353 -15.227 4.040 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.357 -17.778 5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -6.523 -18.542 2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -7.528 -17.103 3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -5.975 -16.943 2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.435 -18.890 4.254 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.805 -17.305 3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.916 -17.706 5.477 1.00 0.00 H new ATOM 1589 N ALA A 102 -6.029 -13.220 6.244 1.00 0.00 N ATOM 1590 CA ALA A 102 -6.090 -11.768 6.360 1.00 0.00 C ATOM 1591 C ALA A 102 -5.358 -11.285 7.608 1.00 0.00 C ATOM 1592 O ALA A 102 -4.823 -10.177 7.636 1.00 0.00 O ATOM 1593 CB ALA A 102 -7.537 -11.300 6.381 1.00 0.00 C ATOM 0 H ALA A 102 -6.938 -13.674 6.151 1.00 0.00 H new ATOM 0 HA ALA A 102 -5.593 -11.338 5.490 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.567 -10.214 6.468 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.031 -11.604 5.458 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -8.051 -11.746 7.232 1.00 0.00 H new ATOM 1599 N ALA A 103 -5.339 -12.124 8.638 1.00 0.00 N ATOM 1600 CA ALA A 103 -4.671 -11.783 9.888 1.00 0.00 C ATOM 1601 C ALA A 103 -3.253 -11.284 9.635 1.00 0.00 C ATOM 1602 O ALA A 103 -2.866 -10.214 10.108 1.00 0.00 O ATOM 1603 CB ALA A 103 -4.651 -12.985 10.821 1.00 0.00 C ATOM 0 H ALA A 103 -5.778 -13.045 8.632 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.232 -10.978 10.362 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.149 -12.716 11.750 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.673 -13.295 11.037 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.116 -13.807 10.345 1.00 0.00 H new ATOM 1609 N THR A 104 -2.480 -12.065 8.887 1.00 0.00 N ATOM 1610 CA THR A 104 -1.104 -11.703 8.572 1.00 0.00 C ATOM 1611 C THR A 104 -1.043 -10.760 7.376 1.00 0.00 C ATOM 1612 O THR A 104 -0.017 -10.131 7.120 1.00 0.00 O ATOM 1613 CB THR A 104 -0.249 -12.949 8.273 1.00 0.00 C ATOM 1614 OG1 THR A 104 -0.576 -13.468 6.979 1.00 0.00 O ATOM 1615 CG2 THR A 104 -0.472 -14.023 9.327 1.00 0.00 C ATOM 0 H THR A 104 -2.784 -12.953 8.488 1.00 0.00 H new ATOM 0 HA THR A 104 -0.702 -11.198 9.450 1.00 0.00 H new ATOM 0 HB THR A 104 0.801 -12.656 8.292 1.00 0.00 H new ATOM 0 HG1 THR A 104 -1.543 -13.403 6.835 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.142 -14.893 9.095 1.00 0.00 H new ATOM 0 HG22 THR A 104 -0.195 -13.634 10.307 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.523 -14.312 9.335 1.00 0.00 H new ATOM 1623 N GLY A 105 -2.150 -10.666 6.645 1.00 0.00 N ATOM 1624 CA GLY A 105 -2.201 -9.797 5.484 1.00 0.00 C ATOM 1625 C GLY A 105 -2.390 -10.566 4.192 1.00 0.00 C ATOM 1626 O GLY A 105 -1.987 -10.107 3.123 1.00 0.00 O ATOM 0 H GLY A 105 -3.012 -11.176 6.836 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.018 -9.085 5.602 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.279 -9.218 5.427 1.00 0.00 H new ATOM 1630 N VAL A 106 -3.004 -11.741 4.289 1.00 0.00 N ATOM 1631 CA VAL A 106 -3.245 -12.576 3.118 1.00 0.00 C ATOM 1632 C VAL A 106 -4.738 -12.725 2.848 1.00 0.00 C ATOM 1633 O VAL A 106 -5.529 -12.931 3.768 1.00 0.00 O ATOM 1634 CB VAL A 106 -2.624 -13.975 3.289 1.00 0.00 C ATOM 1635 CG1 VAL A 106 -3.033 -14.886 2.142 1.00 0.00 C ATOM 1636 CG2 VAL A 106 -1.109 -13.876 3.388 1.00 0.00 C ATOM 0 H VAL A 106 -3.343 -12.136 5.166 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.773 -12.078 2.271 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.999 -14.409 4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.584 -15.870 2.281 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.119 -14.982 2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.690 -14.460 1.199 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.686 -14.873 3.509 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.714 -13.422 2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.840 -13.262 4.247 1.00 0.00 H new ATOM 1646 N GLY A 107 -5.118 -12.621 1.578 1.00 0.00 N ATOM 1647 CA GLY A 107 -6.515 -12.747 1.208 1.00 0.00 C ATOM 1648 C GLY A 107 -6.992 -11.597 0.342 1.00 0.00 C ATOM 1649 O GLY A 107 -6.333 -10.560 0.256 1.00 0.00 O ATOM 0 H GLY A 107 -4.482 -12.452 0.799 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -6.663 -13.686 0.674 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.124 -12.795 2.111 1.00 0.00 H new ATOM 1653 N LEU A 108 -8.139 -11.780 -0.301 1.00 0.00 N ATOM 1654 CA LEU A 108 -8.704 -10.750 -1.167 1.00 0.00 C ATOM 1655 C LEU A 108 -9.423 -9.684 -0.347 1.00 0.00 C ATOM 1656 O LEU A 108 -9.335 -8.493 -0.645 1.00 0.00 O ATOM 1657 CB LEU A 108 -9.672 -11.375 -2.172 1.00 0.00 C ATOM 1658 CG LEU A 108 -10.674 -10.420 -2.822 1.00 0.00 C ATOM 1659 CD1 LEU A 108 -9.949 -9.277 -3.515 1.00 0.00 C ATOM 1660 CD2 LEU A 108 -11.561 -11.167 -3.808 1.00 0.00 C ATOM 0 H LEU A 108 -8.697 -12.632 -0.240 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.885 -10.276 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.089 -11.850 -2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.228 -12.165 -1.667 1.00 0.00 H new ATOM 0 HG LEU A 108 -11.307 -10.001 -2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.678 -8.608 -3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.357 -8.725 -2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.291 -9.678 -4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.268 -10.472 -4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.943 -11.615 -4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -12.108 -11.950 -3.284 1.00 0.00 H new ATOM 1672 N ASP A 109 -10.131 -10.119 0.689 1.00 0.00 N ATOM 1673 CA ASP A 109 -10.863 -9.202 1.555 1.00 0.00 C ATOM 1674 C ASP A 109 -9.951 -8.087 2.060 1.00 0.00 C ATOM 1675 O ASP A 109 -10.190 -6.909 1.796 1.00 0.00 O ATOM 1676 CB ASP A 109 -11.468 -9.958 2.739 1.00 0.00 C ATOM 1677 CG ASP A 109 -11.994 -11.324 2.346 1.00 0.00 C ATOM 1678 OD1 ASP A 109 -11.191 -12.280 2.311 1.00 0.00 O ATOM 1679 OD2 ASP A 109 -13.207 -11.438 2.072 1.00 0.00 O ATOM 0 H ASP A 109 -10.214 -11.102 0.950 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.667 -8.754 0.971 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -10.713 -10.073 3.517 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -12.279 -9.369 3.166 1.00 0.00 H new ATOM 1684 N VAL A 110 -8.907 -8.469 2.788 1.00 0.00 N ATOM 1685 CA VAL A 110 -7.959 -7.502 3.330 1.00 0.00 C ATOM 1686 C VAL A 110 -7.427 -6.582 2.237 1.00 0.00 C ATOM 1687 O VAL A 110 -7.210 -5.392 2.464 1.00 0.00 O ATOM 1688 CB VAL A 110 -6.773 -8.204 4.017 1.00 0.00 C ATOM 1689 CG1 VAL A 110 -6.047 -9.111 3.036 1.00 0.00 C ATOM 1690 CG2 VAL A 110 -5.820 -7.178 4.613 1.00 0.00 C ATOM 0 H VAL A 110 -8.696 -9.440 3.016 1.00 0.00 H new ATOM 0 HA VAL A 110 -8.499 -6.909 4.069 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.159 -8.822 4.827 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -5.212 -9.598 3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.736 -9.868 2.662 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.671 -8.518 2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.988 -7.691 5.095 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.439 -6.532 3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -6.350 -6.575 5.350 1.00 0.00 H new ATOM 1700 N ALA A 111 -7.219 -7.141 1.049 1.00 0.00 N ATOM 1701 CA ALA A 111 -6.715 -6.371 -0.080 1.00 0.00 C ATOM 1702 C ALA A 111 -7.680 -5.251 -0.455 1.00 0.00 C ATOM 1703 O ALA A 111 -7.280 -4.095 -0.588 1.00 0.00 O ATOM 1704 CB ALA A 111 -6.471 -7.282 -1.274 1.00 0.00 C ATOM 0 H ALA A 111 -7.392 -8.125 0.844 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.769 -5.917 0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.095 -6.693 -2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.738 -8.043 -1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.406 -7.764 -1.561 1.00 0.00 H new ATOM 1710 N GLN A 112 -8.950 -5.603 -0.625 1.00 0.00 N ATOM 1711 CA GLN A 112 -9.971 -4.627 -0.987 1.00 0.00 C ATOM 1712 C GLN A 112 -9.944 -3.434 -0.037 1.00 0.00 C ATOM 1713 O GLN A 112 -10.257 -2.309 -0.428 1.00 0.00 O ATOM 1714 CB GLN A 112 -11.356 -5.276 -0.971 1.00 0.00 C ATOM 1715 CG GLN A 112 -11.733 -5.937 -2.287 1.00 0.00 C ATOM 1716 CD GLN A 112 -13.225 -6.171 -2.416 1.00 0.00 C ATOM 1717 OE1 GLN A 112 -13.983 -5.256 -2.736 1.00 0.00 O ATOM 1718 NE2 GLN A 112 -13.655 -7.403 -2.167 1.00 0.00 N ATOM 0 H GLN A 112 -9.297 -6.556 -0.518 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.757 -4.271 -1.995 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.390 -6.022 -0.177 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -12.101 -4.518 -0.728 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -11.394 -5.312 -3.113 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -11.211 -6.890 -2.373 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.991 -8.132 -1.905 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -14.649 -7.620 -2.238 1.00 0.00 H new ATOM 1727 N SER A 113 -9.570 -3.688 1.213 1.00 0.00 N ATOM 1728 CA SER A 113 -9.507 -2.636 2.221 1.00 0.00 C ATOM 1729 C SER A 113 -8.323 -1.708 1.964 1.00 0.00 C ATOM 1730 O SER A 113 -8.429 -0.491 2.123 1.00 0.00 O ATOM 1731 CB SER A 113 -9.397 -3.246 3.619 1.00 0.00 C ATOM 1732 OG SER A 113 -10.678 -3.528 4.155 1.00 0.00 O ATOM 0 H SER A 113 -9.306 -4.613 1.552 1.00 0.00 H new ATOM 0 HA SER A 113 -10.425 -2.052 2.159 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.809 -4.162 3.574 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.867 -2.559 4.278 1.00 0.00 H new ATOM 0 HG SER A 113 -10.580 -3.919 5.048 1.00 0.00 H new ATOM 1738 N TRP A 114 -7.198 -2.291 1.566 1.00 0.00 N ATOM 1739 CA TRP A 114 -5.994 -1.517 1.287 1.00 0.00 C ATOM 1740 C TRP A 114 -6.134 -0.746 -0.021 1.00 0.00 C ATOM 1741 O TRP A 114 -5.716 0.407 -0.119 1.00 0.00 O ATOM 1742 CB TRP A 114 -4.775 -2.438 1.222 1.00 0.00 C ATOM 1743 CG TRP A 114 -4.114 -2.643 2.552 1.00 0.00 C ATOM 1744 CD1 TRP A 114 -4.342 -3.663 3.432 1.00 0.00 C ATOM 1745 CD2 TRP A 114 -3.120 -1.807 3.153 1.00 0.00 C ATOM 1746 NE1 TRP A 114 -3.549 -3.510 4.543 1.00 0.00 N ATOM 1747 CE2 TRP A 114 -2.789 -2.380 4.396 1.00 0.00 C ATOM 1748 CE3 TRP A 114 -2.475 -0.631 2.761 1.00 0.00 C ATOM 1749 CZ2 TRP A 114 -1.844 -1.815 5.248 1.00 0.00 C ATOM 1750 CZ3 TRP A 114 -1.537 -0.071 3.608 1.00 0.00 C ATOM 1751 CH2 TRP A 114 -1.228 -0.664 4.839 1.00 0.00 C ATOM 0 H TRP A 114 -7.094 -3.296 1.429 1.00 0.00 H new ATOM 0 HA TRP A 114 -5.857 -0.800 2.097 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -5.080 -3.405 0.823 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -4.049 -2.020 0.524 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -5.042 -4.470 3.277 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.529 -4.137 5.348 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -2.705 -0.168 1.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -1.606 -2.269 6.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -1.034 0.839 3.316 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -0.489 -0.203 5.478 1.00 0.00 H new ATOM 1762 N GLU A 115 -6.724 -1.390 -1.023 1.00 0.00 N ATOM 1763 CA GLU A 115 -6.917 -0.762 -2.325 1.00 0.00 C ATOM 1764 C GLU A 115 -7.755 0.507 -2.198 1.00 0.00 C ATOM 1765 O GLU A 115 -7.353 1.578 -2.652 1.00 0.00 O ATOM 1766 CB GLU A 115 -7.593 -1.738 -3.291 1.00 0.00 C ATOM 1767 CG GLU A 115 -7.838 -1.155 -4.673 1.00 0.00 C ATOM 1768 CD GLU A 115 -9.009 -1.807 -5.381 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -10.089 -1.916 -4.764 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -8.846 -2.208 -6.552 1.00 0.00 O ATOM 0 H GLU A 115 -7.076 -2.345 -0.958 1.00 0.00 H new ATOM 0 HA GLU A 115 -5.937 -0.492 -2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.973 -2.629 -3.387 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.545 -2.056 -2.866 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -8.022 -0.084 -4.584 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -6.940 -1.275 -5.278 1.00 0.00 H new ATOM 1777 N LYS A 116 -8.924 0.378 -1.579 1.00 0.00 N ATOM 1778 CA LYS A 116 -9.820 1.513 -1.391 1.00 0.00 C ATOM 1779 C LYS A 116 -9.120 2.639 -0.638 1.00 0.00 C ATOM 1780 O LYS A 116 -9.066 3.774 -1.110 1.00 0.00 O ATOM 1781 CB LYS A 116 -11.074 1.077 -0.630 1.00 0.00 C ATOM 1782 CG LYS A 116 -12.178 0.547 -1.528 1.00 0.00 C ATOM 1783 CD LYS A 116 -13.302 -0.080 -0.721 1.00 0.00 C ATOM 1784 CE LYS A 116 -14.079 -1.096 -1.543 1.00 0.00 C ATOM 1785 NZ LYS A 116 -13.450 -2.444 -1.499 1.00 0.00 N ATOM 0 H LYS A 116 -9.273 -0.502 -1.199 1.00 0.00 H new ATOM 0 HA LYS A 116 -10.110 1.883 -2.374 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -10.802 0.306 0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -11.456 1.924 -0.061 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -12.575 1.360 -2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -11.766 -0.192 -2.215 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -12.889 -0.565 0.163 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -13.978 0.700 -0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -15.101 -1.160 -1.169 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -14.139 -0.757 -2.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -14.000 -3.103 -2.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -12.478 -2.385 -1.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -13.432 -2.787 -0.517 1.00 0.00 H new ATOM 1799 N ALA A 117 -8.585 2.318 0.536 1.00 0.00 N ATOM 1800 CA ALA A 117 -7.886 3.302 1.352 1.00 0.00 C ATOM 1801 C ALA A 117 -6.833 4.043 0.536 1.00 0.00 C ATOM 1802 O ALA A 117 -6.830 5.273 0.479 1.00 0.00 O ATOM 1803 CB ALA A 117 -7.246 2.629 2.558 1.00 0.00 C ATOM 0 H ALA A 117 -8.623 1.383 0.943 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.616 4.032 1.702 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.727 3.376 3.159 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -8.019 2.151 3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -6.533 1.877 2.219 1.00 0.00 H new ATOM 1809 N ILE A 118 -5.939 3.288 -0.093 1.00 0.00 N ATOM 1810 CA ILE A 118 -4.880 3.874 -0.905 1.00 0.00 C ATOM 1811 C ILE A 118 -5.450 4.853 -1.926 1.00 0.00 C ATOM 1812 O ILE A 118 -5.014 6.001 -2.010 1.00 0.00 O ATOM 1813 CB ILE A 118 -4.072 2.791 -1.644 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -3.186 2.024 -0.660 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -3.231 3.417 -2.746 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -2.470 0.846 -1.283 1.00 0.00 C ATOM 0 H ILE A 118 -5.927 2.269 -0.056 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.217 4.407 -0.223 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.768 2.088 -2.101 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -2.448 2.707 -0.240 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -3.799 1.669 0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -2.666 2.639 -3.259 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.883 3.922 -3.459 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -2.541 4.140 -2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -1.861 0.350 -0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.203 0.142 -1.678 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.830 1.196 -2.093 1.00 0.00 H new ATOM 1828 N ARG A 119 -6.427 4.391 -2.700 1.00 0.00 N ATOM 1829 CA ARG A 119 -7.057 5.226 -3.715 1.00 0.00 C ATOM 1830 C ARG A 119 -7.619 6.503 -3.097 1.00 0.00 C ATOM 1831 O ARG A 119 -7.369 7.603 -3.589 1.00 0.00 O ATOM 1832 CB ARG A 119 -8.173 4.454 -4.420 1.00 0.00 C ATOM 1833 CG ARG A 119 -8.431 4.920 -5.844 1.00 0.00 C ATOM 1834 CD ARG A 119 -9.361 3.969 -6.581 1.00 0.00 C ATOM 1835 NE ARG A 119 -10.767 4.286 -6.345 1.00 0.00 N ATOM 1836 CZ ARG A 119 -11.446 3.869 -5.282 1.00 0.00 C ATOM 1837 NH1 ARG A 119 -10.850 3.124 -4.362 1.00 0.00 N ATOM 1838 NH2 ARG A 119 -12.723 4.199 -5.137 1.00 0.00 N ATOM 0 H ARG A 119 -6.799 3.443 -2.643 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.297 5.501 -4.446 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -7.917 3.395 -4.434 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -9.092 4.552 -3.842 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -8.868 5.918 -5.828 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -7.485 4.995 -6.381 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -9.154 4.015 -7.650 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -9.161 2.946 -6.261 1.00 0.00 H new ATOM 0 HE ARG A 119 -11.254 4.859 -7.034 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -9.868 2.870 -4.469 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -11.373 2.805 -3.547 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -13.185 4.774 -5.842 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -13.243 3.878 -4.320 1.00 0.00 H new ATOM 1852 N GLN A 120 -8.379 6.347 -2.018 1.00 0.00 N ATOM 1853 CA GLN A 120 -8.977 7.488 -1.334 1.00 0.00 C ATOM 1854 C GLN A 120 -7.905 8.475 -0.882 1.00 0.00 C ATOM 1855 O GLN A 120 -8.008 9.675 -1.133 1.00 0.00 O ATOM 1856 CB GLN A 120 -9.793 7.016 -0.129 1.00 0.00 C ATOM 1857 CG GLN A 120 -10.968 7.922 0.201 1.00 0.00 C ATOM 1858 CD GLN A 120 -10.595 9.392 0.184 1.00 0.00 C ATOM 1859 OE1 GLN A 120 -9.559 9.787 0.719 1.00 0.00 O ATOM 1860 NE2 GLN A 120 -11.440 10.210 -0.433 1.00 0.00 N ATOM 0 H GLN A 120 -8.595 5.443 -1.599 1.00 0.00 H new ATOM 0 HA GLN A 120 -9.639 7.995 -2.036 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -10.164 6.010 -0.323 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -9.139 6.952 0.740 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -11.770 7.746 -0.516 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -11.358 7.661 1.185 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -12.287 9.839 -0.863 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -11.242 11.210 -0.477 1.00 0.00 H new ATOM 1869 N ALA A 121 -6.877 7.960 -0.215 1.00 0.00 N ATOM 1870 CA ALA A 121 -5.786 8.796 0.270 1.00 0.00 C ATOM 1871 C ALA A 121 -5.482 9.924 -0.709 1.00 0.00 C ATOM 1872 O ALA A 121 -5.419 11.093 -0.326 1.00 0.00 O ATOM 1873 CB ALA A 121 -4.542 7.953 0.511 1.00 0.00 C ATOM 0 H ALA A 121 -6.777 6.968 0.002 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.096 9.244 1.214 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.735 8.590 0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.760 7.186 1.255 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -4.238 7.478 -0.422 1.00 0.00 H new ATOM 1879 N LEU A 122 -5.293 9.568 -1.975 1.00 0.00 N ATOM 1880 CA LEU A 122 -4.994 10.551 -3.010 1.00 0.00 C ATOM 1881 C LEU A 122 -5.909 11.765 -2.889 1.00 0.00 C ATOM 1882 O LEU A 122 -5.455 12.907 -2.961 1.00 0.00 O ATOM 1883 CB LEU A 122 -5.143 9.922 -4.397 1.00 0.00 C ATOM 1884 CG LEU A 122 -3.910 9.203 -4.944 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -3.831 7.787 -4.397 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -3.932 9.189 -6.466 1.00 0.00 C ATOM 0 H LEU A 122 -5.342 8.606 -2.309 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.964 10.881 -2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -5.969 9.211 -4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.424 10.705 -5.101 1.00 0.00 H new ATOM 0 HG LEU A 122 -3.023 9.746 -4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -2.947 7.291 -4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -3.767 7.820 -3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -4.722 7.233 -4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.047 8.673 -6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -4.826 8.671 -6.812 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -3.939 10.213 -6.839 1.00 0.00 H new ATOM 1898 N MET A 123 -7.200 11.510 -2.702 1.00 0.00 N ATOM 1899 CA MET A 123 -8.179 12.583 -2.567 1.00 0.00 C ATOM 1900 C MET A 123 -7.710 13.623 -1.554 1.00 0.00 C ATOM 1901 O MET A 123 -7.812 14.826 -1.793 1.00 0.00 O ATOM 1902 CB MET A 123 -9.534 12.015 -2.142 1.00 0.00 C ATOM 1903 CG MET A 123 -10.124 11.035 -3.143 1.00 0.00 C ATOM 1904 SD MET A 123 -10.558 11.818 -4.708 1.00 0.00 S ATOM 1905 CE MET A 123 -9.525 10.897 -5.845 1.00 0.00 C ATOM 0 H MET A 123 -7.592 10.571 -2.641 1.00 0.00 H new ATOM 0 HA MET A 123 -8.285 13.069 -3.537 1.00 0.00 H new ATOM 0 HB2 MET A 123 -9.424 11.516 -1.179 1.00 0.00 H new ATOM 0 HB3 MET A 123 -10.234 12.838 -1.996 1.00 0.00 H new ATOM 0 HG2 MET A 123 -9.407 10.235 -3.328 1.00 0.00 H new ATOM 0 HG3 MET A 123 -11.013 10.574 -2.713 1.00 0.00 H new ATOM 0 HE1 MET A 123 -9.681 11.266 -6.859 1.00 0.00 H new ATOM 0 HE2 MET A 123 -8.478 11.024 -5.570 1.00 0.00 H new ATOM 0 HE3 MET A 123 -9.787 9.840 -5.799 1.00 0.00 H new ATOM 1915 N SER A 124 -7.196 13.151 -0.423 1.00 0.00 N ATOM 1916 CA SER A 124 -6.715 14.040 0.628 1.00 0.00 C ATOM 1917 C SER A 124 -5.812 15.125 0.050 1.00 0.00 C ATOM 1918 O SER A 124 -4.740 14.839 -0.482 1.00 0.00 O ATOM 1919 CB SER A 124 -5.957 13.243 1.692 1.00 0.00 C ATOM 1920 OG SER A 124 -5.691 14.041 2.833 1.00 0.00 O ATOM 0 H SER A 124 -7.102 12.158 -0.211 1.00 0.00 H new ATOM 0 HA SER A 124 -7.579 14.518 1.089 1.00 0.00 H new ATOM 0 HB2 SER A 124 -6.542 12.370 1.983 1.00 0.00 H new ATOM 0 HB3 SER A 124 -5.020 12.874 1.276 1.00 0.00 H new ATOM 0 HG SER A 124 -5.489 13.462 3.597 1.00 0.00 H new ATOM 1926 N GLY A 125 -6.255 16.374 0.158 1.00 0.00 N ATOM 1927 CA GLY A 125 -5.476 17.485 -0.358 1.00 0.00 C ATOM 1928 C GLY A 125 -5.067 18.460 0.728 1.00 0.00 C ATOM 1929 O GLY A 125 -5.676 18.524 1.796 1.00 0.00 O ATOM 0 H GLY A 125 -7.139 16.636 0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.584 17.101 -0.852 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -6.057 18.012 -1.115 1.00 0.00 H new ATOM 1933 N PRO A 126 -4.011 19.242 0.459 1.00 0.00 N ATOM 1934 CA PRO A 126 -3.497 20.233 1.410 1.00 0.00 C ATOM 1935 C PRO A 126 -4.448 21.411 1.590 1.00 0.00 C ATOM 1936 O PRO A 126 -4.364 22.405 0.867 1.00 0.00 O ATOM 1937 CB PRO A 126 -2.187 20.695 0.767 1.00 0.00 C ATOM 1938 CG PRO A 126 -2.372 20.445 -0.690 1.00 0.00 C ATOM 1939 CD PRO A 126 -3.237 19.220 -0.794 1.00 0.00 C ATOM 0 HA PRO A 126 -3.373 19.814 2.409 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -1.998 21.750 0.967 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -1.336 20.139 1.159 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -2.845 21.299 -1.175 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -1.413 20.288 -1.184 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -3.887 19.260 -1.668 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -2.640 18.312 -0.882 1.00 0.00 H new ATOM 1947 N SER A 127 -5.351 21.294 2.557 1.00 0.00 N ATOM 1948 CA SER A 127 -6.321 22.349 2.830 1.00 0.00 C ATOM 1949 C SER A 127 -5.617 23.669 3.132 1.00 0.00 C ATOM 1950 O SER A 127 -5.965 24.712 2.579 1.00 0.00 O ATOM 1951 CB SER A 127 -7.218 21.956 4.005 1.00 0.00 C ATOM 1952 OG SER A 127 -6.459 21.774 5.187 1.00 0.00 O ATOM 0 H SER A 127 -5.432 20.479 3.165 1.00 0.00 H new ATOM 0 HA SER A 127 -6.937 22.480 1.941 1.00 0.00 H new ATOM 0 HB2 SER A 127 -7.970 22.729 4.167 1.00 0.00 H new ATOM 0 HB3 SER A 127 -7.752 21.036 3.767 1.00 0.00 H new ATOM 0 HG SER A 127 -7.055 21.525 5.924 1.00 0.00 H new ATOM 1958 N SER A 128 -4.624 23.614 4.014 1.00 0.00 N ATOM 1959 CA SER A 128 -3.872 24.804 4.394 1.00 0.00 C ATOM 1960 C SER A 128 -2.655 24.989 3.494 1.00 0.00 C ATOM 1961 O SER A 128 -2.375 26.093 3.028 1.00 0.00 O ATOM 1962 CB SER A 128 -3.430 24.709 5.856 1.00 0.00 C ATOM 1963 OG SER A 128 -2.677 25.848 6.236 1.00 0.00 O ATOM 0 H SER A 128 -4.322 22.758 4.479 1.00 0.00 H new ATOM 0 HA SER A 128 -4.525 25.669 4.275 1.00 0.00 H new ATOM 0 HB2 SER A 128 -4.306 24.617 6.499 1.00 0.00 H new ATOM 0 HB3 SER A 128 -2.832 23.809 6.001 1.00 0.00 H new ATOM 0 HG SER A 128 -2.408 25.764 7.175 1.00 0.00 H new ATOM 1969 N GLY A 129 -1.934 23.898 3.253 1.00 0.00 N ATOM 1970 CA GLY A 129 -0.755 23.960 2.410 1.00 0.00 C ATOM 1971 C GLY A 129 -1.096 23.934 0.933 1.00 0.00 C ATOM 1972 O GLY A 129 -0.433 23.257 0.147 1.00 0.00 O ATOM 0 H GLY A 129 -2.146 22.973 3.627 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -0.199 24.870 2.635 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -0.101 23.120 2.643 1.00 0.00 H new TER 1976 GLY A 129