USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 885 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 28 TYR OH : rot 166:sc= 1.09 USER MOD Set 1.2: A 46 GLN : amide:sc= -3.63! C(o=-2.5!,f=-4.5!) USER MOD Set 2.1: A 24 ASN :FLIP amide:sc= -2.23! F(o=-5.5,f=-4!) USER MOD Set 2.2: A 117 ASN :FLIP amide:sc= -1.76 F(o=-5.5!,f=-4) USER MOD Set 3.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 16 SER OG : rot -170:sc= -0.158 USER MOD Set 4.1: A 8 MET CE :methyl -157:sc= -1.75 (180deg=-3.99!) USER MOD Set 4.2: A 73 TYR OH : rot -65:sc= -1.91 USER MOD Set 5.1: A 1 ALA N :NH3+ -132:sc= 0.542 (180deg=-0.362) USER MOD Set 5.2: A 4 GLN : amide:sc= -3.53! C(o=-3!,f=-15!) USER MOD Single : A 6 ASN : amide:sc= -0.905 X(o=-0.91,f=-0.81) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.0593 X(o=0.059,f=0) USER MOD Single : A 25 TYR OH : rot -110:sc=-0.00805 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0728 USER MOD Single : A 47 THR OG1 : rot 86:sc= 0.729 USER MOD Single : A 48 HIS : no HD1:sc= 0.897 K(o=0.9,f=-6.6!) USER MOD Single : A 50 ASN : amide:sc= 0.937 K(o=0.94,f=-0.4) USER MOD Single : A 52 TYR OH : rot 28:sc= 0.853 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.171 K(o=-0.17,f=-0.9) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -3.5! C(o=-3.5!,f=-5.5!) USER MOD Single : A 69 TYR OH : rot 150:sc= -0.0195 USER MOD Single : A 70 THR OG1 : rot -67:sc= 1.03 USER MOD Single : A 71 ASN :FLIP amide:sc= -0.209 F(o=-1.7,f=-0.21) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 124:sc= 0.189 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.114 K(o=-0.11,f=-2.2!) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.662 F(o=-2.3!,f=-0.66) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.88 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -2.61! C(o=-2.6!,f=-3.8!) USER MOD Single : A 89 ASN : amide:sc= -0.849 K(o=-0.85,f=-4.3!) USER MOD Single : A 97 ASN : amide:sc= -0.0247 K(o=-0.025,f=-2.1!) USER MOD Single : A 101 ASN : amide:sc= -0.484 K(o=-0.48,f=-2.4!) USER MOD Single : A 107 SER OG : rot -56:sc= 0.667 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 180:sc= -1.25! USER MOD Single : A 112 ASN : amide:sc= 0.702 K(o=0.7,f=-0.18) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS : no HD1:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= -0.646 X(o=-0.65,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 87.925 -8.395 -4.513 1.00 0.00 N ATOM 2 CA ALA A 1 86.617 -7.862 -4.991 1.00 0.00 C ATOM 3 C ALA A 1 86.469 -6.389 -4.598 1.00 0.00 C ATOM 4 O ALA A 1 87.430 -5.646 -4.566 1.00 0.00 O ATOM 5 CB ALA A 1 85.561 -8.715 -4.285 1.00 0.00 C ATOM 0 H1 ALA A 1 88.395 -8.906 -5.287 1.00 0.00 H new ATOM 0 H2 ALA A 1 88.528 -7.607 -4.202 1.00 0.00 H new ATOM 0 H3 ALA A 1 87.765 -9.044 -3.716 1.00 0.00 H new ATOM 0 HA ALA A 1 86.523 -7.911 -6.076 1.00 0.00 H new ATOM 0 HB1 ALA A 1 84.566 -8.385 -4.585 1.00 0.00 H new ATOM 0 HB2 ALA A 1 85.694 -9.761 -4.561 1.00 0.00 H new ATOM 0 HB3 ALA A 1 85.669 -8.608 -3.206 1.00 0.00 H new ATOM 13 N LEU A 2 85.273 -5.962 -4.300 1.00 0.00 N ATOM 14 CA LEU A 2 85.062 -4.537 -3.909 1.00 0.00 C ATOM 15 C LEU A 2 84.564 -4.453 -2.463 1.00 0.00 C ATOM 16 O LEU A 2 85.181 -3.836 -1.617 1.00 0.00 O ATOM 17 CB LEU A 2 83.994 -4.017 -4.874 1.00 0.00 C ATOM 18 CG LEU A 2 84.341 -2.590 -5.305 1.00 0.00 C ATOM 19 CD1 LEU A 2 84.308 -2.494 -6.833 1.00 0.00 C ATOM 20 CD2 LEU A 2 83.318 -1.618 -4.713 1.00 0.00 C ATOM 0 H LEU A 2 84.431 -6.538 -4.310 1.00 0.00 H new ATOM 0 HA LEU A 2 85.981 -3.953 -3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 2 83.932 -4.666 -5.747 1.00 0.00 H new ATOM 0 HB3 LEU A 2 83.016 -4.035 -4.393 1.00 0.00 H new ATOM 0 HG LEU A 2 85.338 -2.335 -4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 2 84.555 -1.477 -7.139 1.00 0.00 H new ATOM 0 HD12 LEU A 2 85.034 -3.187 -7.257 1.00 0.00 H new ATOM 0 HD13 LEU A 2 83.311 -2.749 -7.192 1.00 0.00 H new ATOM 0 HD21 LEU A 2 83.563 -0.601 -5.019 1.00 0.00 H new ATOM 0 HD22 LEU A 2 82.322 -1.875 -5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 2 83.339 -1.685 -3.625 1.00 0.00 H new ATOM 32 N TRP A 3 83.451 -5.072 -2.175 1.00 0.00 N ATOM 33 CA TRP A 3 82.910 -5.033 -0.786 1.00 0.00 C ATOM 34 C TRP A 3 83.917 -5.640 0.195 1.00 0.00 C ATOM 35 O TRP A 3 83.847 -5.421 1.388 1.00 0.00 O ATOM 36 CB TRP A 3 81.639 -5.882 -0.838 1.00 0.00 C ATOM 37 CG TRP A 3 81.983 -7.254 -1.322 1.00 0.00 C ATOM 38 CD1 TRP A 3 81.931 -7.658 -2.611 1.00 0.00 C ATOM 39 CD2 TRP A 3 82.435 -8.405 -0.550 1.00 0.00 C ATOM 40 NE1 TRP A 3 82.323 -8.982 -2.681 1.00 0.00 N ATOM 41 CE2 TRP A 3 82.642 -9.487 -1.437 1.00 0.00 C ATOM 42 CE3 TRP A 3 82.683 -8.613 0.819 1.00 0.00 C ATOM 43 CZ2 TRP A 3 83.079 -10.731 -0.984 1.00 0.00 C ATOM 44 CZ3 TRP A 3 83.124 -9.866 1.279 1.00 0.00 C ATOM 45 CH2 TRP A 3 83.321 -10.922 0.378 1.00 0.00 C ATOM 0 H TRP A 3 82.892 -5.604 -2.843 1.00 0.00 H new ATOM 0 HA TRP A 3 82.713 -4.016 -0.448 1.00 0.00 H new ATOM 0 HB2 TRP A 3 81.183 -5.936 0.150 1.00 0.00 H new ATOM 0 HB3 TRP A 3 80.907 -5.422 -1.502 1.00 0.00 H new ATOM 0 HD1 TRP A 3 81.632 -7.046 -3.449 1.00 0.00 H new ATOM 0 HE1 TRP A 3 82.371 -9.520 -3.546 1.00 0.00 H new ATOM 0 HE3 TRP A 3 82.534 -7.806 1.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 83.229 -11.542 -1.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 83.312 -10.016 2.332 1.00 0.00 H new ATOM 0 HH2 TRP A 3 83.660 -11.883 0.737 1.00 0.00 H new ATOM 56 N GLN A 4 84.852 -6.405 -0.300 1.00 0.00 N ATOM 57 CA GLN A 4 85.858 -7.028 0.606 1.00 0.00 C ATOM 58 C GLN A 4 86.778 -5.955 1.195 1.00 0.00 C ATOM 59 O GLN A 4 87.019 -5.918 2.386 1.00 0.00 O ATOM 60 CB GLN A 4 86.649 -7.993 -0.278 1.00 0.00 C ATOM 61 CG GLN A 4 85.851 -9.287 -0.454 1.00 0.00 C ATOM 62 CD GLN A 4 86.658 -10.280 -1.291 1.00 0.00 C ATOM 63 OE1 GLN A 4 86.841 -10.086 -2.476 1.00 0.00 O ATOM 64 NE2 GLN A 4 87.151 -11.344 -0.720 1.00 0.00 N ATOM 0 H GLN A 4 84.962 -6.625 -1.290 1.00 0.00 H new ATOM 0 HA GLN A 4 85.393 -7.540 1.448 1.00 0.00 H new ATOM 0 HB2 GLN A 4 86.844 -7.538 -1.249 1.00 0.00 H new ATOM 0 HB3 GLN A 4 87.617 -8.208 0.174 1.00 0.00 H new ATOM 0 HG2 GLN A 4 85.622 -9.719 0.520 1.00 0.00 H new ATOM 0 HG3 GLN A 4 84.899 -9.075 -0.941 1.00 0.00 H new ATOM 0 HE21 GLN A 4 86.997 -11.506 0.275 1.00 0.00 H new ATOM 0 HE22 GLN A 4 87.691 -12.014 -1.269 1.00 0.00 H new ATOM 73 N PHE A 5 87.291 -5.080 0.374 1.00 0.00 N ATOM 74 CA PHE A 5 88.190 -4.013 0.901 1.00 0.00 C ATOM 75 C PHE A 5 87.586 -3.408 2.168 1.00 0.00 C ATOM 76 O PHE A 5 88.056 -3.642 3.263 1.00 0.00 O ATOM 77 CB PHE A 5 88.273 -2.967 -0.210 1.00 0.00 C ATOM 78 CG PHE A 5 89.183 -1.843 0.227 1.00 0.00 C ATOM 79 CD1 PHE A 5 90.287 -2.113 1.047 1.00 0.00 C ATOM 80 CD2 PHE A 5 88.922 -0.531 -0.185 1.00 0.00 C ATOM 81 CE1 PHE A 5 91.129 -1.070 1.452 1.00 0.00 C ATOM 82 CE2 PHE A 5 89.765 0.512 0.222 1.00 0.00 C ATOM 83 CZ PHE A 5 90.868 0.242 1.040 1.00 0.00 C ATOM 0 H PHE A 5 87.128 -5.057 -0.633 1.00 0.00 H new ATOM 0 HA PHE A 5 89.177 -4.395 1.164 1.00 0.00 H new ATOM 0 HB2 PHE A 5 88.652 -3.422 -1.125 1.00 0.00 H new ATOM 0 HB3 PHE A 5 87.279 -2.579 -0.435 1.00 0.00 H new ATOM 0 HD1 PHE A 5 90.488 -3.125 1.366 1.00 0.00 H new ATOM 0 HD2 PHE A 5 88.071 -0.322 -0.816 1.00 0.00 H new ATOM 0 HE1 PHE A 5 91.981 -1.278 2.083 1.00 0.00 H new ATOM 0 HE2 PHE A 5 89.563 1.524 -0.096 1.00 0.00 H new ATOM 0 HZ PHE A 5 91.518 1.046 1.353 1.00 0.00 H new ATOM 93 N ASN A 6 86.541 -2.636 2.029 1.00 0.00 N ATOM 94 CA ASN A 6 85.906 -2.027 3.231 1.00 0.00 C ATOM 95 C ASN A 6 85.794 -3.080 4.334 1.00 0.00 C ATOM 96 O ASN A 6 85.881 -2.777 5.507 1.00 0.00 O ATOM 97 CB ASN A 6 84.519 -1.579 2.768 1.00 0.00 C ATOM 98 CG ASN A 6 84.610 -0.176 2.168 1.00 0.00 C ATOM 99 OD1 ASN A 6 85.469 0.094 1.351 1.00 0.00 O ATOM 100 ND2 ASN A 6 83.755 0.737 2.540 1.00 0.00 N ATOM 0 H ASN A 6 86.102 -2.402 1.138 1.00 0.00 H new ATOM 0 HA ASN A 6 86.480 -1.193 3.634 1.00 0.00 H new ATOM 0 HB2 ASN A 6 84.128 -2.278 2.028 1.00 0.00 H new ATOM 0 HB3 ASN A 6 83.825 -1.582 3.608 1.00 0.00 H new ATOM 0 HD21 ASN A 6 83.808 1.676 2.145 1.00 0.00 H new ATOM 0 HD22 ASN A 6 83.034 0.511 3.225 1.00 0.00 H new ATOM 107 N GLY A 7 85.614 -4.319 3.963 1.00 0.00 N ATOM 108 CA GLY A 7 85.512 -5.392 4.990 1.00 0.00 C ATOM 109 C GLY A 7 86.798 -5.413 5.811 1.00 0.00 C ATOM 110 O GLY A 7 86.774 -5.523 7.021 1.00 0.00 O ATOM 0 H GLY A 7 85.534 -4.633 2.996 1.00 0.00 H new ATOM 0 HA2 GLY A 7 84.654 -5.213 5.638 1.00 0.00 H new ATOM 0 HA3 GLY A 7 85.354 -6.358 4.511 1.00 0.00 H new ATOM 114 N MET A 8 87.927 -5.293 5.163 1.00 0.00 N ATOM 115 CA MET A 8 89.216 -5.291 5.910 1.00 0.00 C ATOM 116 C MET A 8 89.233 -4.117 6.889 1.00 0.00 C ATOM 117 O MET A 8 89.681 -4.236 8.011 1.00 0.00 O ATOM 118 CB MET A 8 90.298 -5.124 4.841 1.00 0.00 C ATOM 119 CG MET A 8 90.570 -6.476 4.178 1.00 0.00 C ATOM 120 SD MET A 8 92.229 -6.473 3.453 1.00 0.00 S ATOM 121 CE MET A 8 92.474 -8.266 3.435 1.00 0.00 C ATOM 0 H MET A 8 88.011 -5.197 4.151 1.00 0.00 H new ATOM 0 HA MET A 8 89.369 -6.200 6.491 1.00 0.00 H new ATOM 0 HB2 MET A 8 89.978 -4.398 4.094 1.00 0.00 H new ATOM 0 HB3 MET A 8 91.212 -4.736 5.291 1.00 0.00 H new ATOM 0 HG2 MET A 8 90.485 -7.277 4.913 1.00 0.00 H new ATOM 0 HG3 MET A 8 89.825 -6.671 3.406 1.00 0.00 H new ATOM 0 HE1 MET A 8 93.541 -8.487 3.418 1.00 0.00 H new ATOM 0 HE2 MET A 8 92.027 -8.703 4.328 1.00 0.00 H new ATOM 0 HE3 MET A 8 92.002 -8.689 2.548 1.00 0.00 H new ATOM 131 N ILE A 9 88.730 -2.984 6.474 1.00 0.00 N ATOM 132 CA ILE A 9 88.700 -1.810 7.389 1.00 0.00 C ATOM 133 C ILE A 9 87.869 -2.153 8.625 1.00 0.00 C ATOM 134 O ILE A 9 88.226 -1.825 9.739 1.00 0.00 O ATOM 135 CB ILE A 9 88.032 -0.693 6.586 1.00 0.00 C ATOM 136 CG1 ILE A 9 88.899 -0.347 5.374 1.00 0.00 C ATOM 137 CG2 ILE A 9 87.872 0.545 7.472 1.00 0.00 C ATOM 138 CD1 ILE A 9 88.119 0.579 4.437 1.00 0.00 C ATOM 0 H ILE A 9 88.341 -2.823 5.545 1.00 0.00 H new ATOM 0 HA ILE A 9 89.693 -1.518 7.731 1.00 0.00 H new ATOM 0 HB ILE A 9 87.051 -1.025 6.246 1.00 0.00 H new ATOM 0 HG12 ILE A 9 89.820 0.138 5.698 1.00 0.00 H new ATOM 0 HG13 ILE A 9 89.186 -1.257 4.847 1.00 0.00 H new ATOM 0 HG21 ILE A 9 87.396 1.342 6.901 1.00 0.00 H new ATOM 0 HG22 ILE A 9 87.253 0.298 8.335 1.00 0.00 H new ATOM 0 HG23 ILE A 9 88.853 0.878 7.812 1.00 0.00 H new ATOM 0 HD11 ILE A 9 88.736 0.826 3.573 1.00 0.00 H new ATOM 0 HD12 ILE A 9 87.211 0.077 4.103 1.00 0.00 H new ATOM 0 HD13 ILE A 9 87.854 1.494 4.967 1.00 0.00 H new ATOM 150 N LYS A 10 86.764 -2.824 8.433 1.00 0.00 N ATOM 151 CA LYS A 10 85.913 -3.204 9.593 1.00 0.00 C ATOM 152 C LYS A 10 86.728 -4.055 10.567 1.00 0.00 C ATOM 153 O LYS A 10 86.555 -3.987 11.769 1.00 0.00 O ATOM 154 CB LYS A 10 84.769 -4.024 8.996 1.00 0.00 C ATOM 155 CG LYS A 10 83.716 -3.086 8.401 1.00 0.00 C ATOM 156 CD LYS A 10 82.388 -3.833 8.258 1.00 0.00 C ATOM 157 CE LYS A 10 81.273 -2.837 7.927 1.00 0.00 C ATOM 158 NZ LYS A 10 80.023 -3.476 8.425 1.00 0.00 N ATOM 0 H LYS A 10 86.416 -3.124 7.522 1.00 0.00 H new ATOM 0 HA LYS A 10 85.544 -2.339 10.144 1.00 0.00 H new ATOM 0 HB2 LYS A 10 85.152 -4.692 8.225 1.00 0.00 H new ATOM 0 HB3 LYS A 10 84.318 -4.651 9.765 1.00 0.00 H new ATOM 0 HG2 LYS A 10 83.587 -2.214 9.042 1.00 0.00 H new ATOM 0 HG3 LYS A 10 84.047 -2.721 7.429 1.00 0.00 H new ATOM 0 HD2 LYS A 10 82.464 -4.584 7.472 1.00 0.00 H new ATOM 0 HD3 LYS A 10 82.155 -4.362 9.182 1.00 0.00 H new ATOM 0 HE2 LYS A 10 81.445 -1.876 8.412 1.00 0.00 H new ATOM 0 HE3 LYS A 10 81.219 -2.647 6.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 79.214 -2.851 8.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 79.881 -4.385 7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 80.100 -3.638 9.449 1.00 0.00 H new ATOM 172 N CYS A 11 87.622 -4.856 10.053 1.00 0.00 N ATOM 173 CA CYS A 11 88.455 -5.712 10.931 1.00 0.00 C ATOM 174 C CYS A 11 89.301 -4.836 11.854 1.00 0.00 C ATOM 175 O CYS A 11 89.377 -5.059 13.046 1.00 0.00 O ATOM 176 CB CYS A 11 89.345 -6.497 9.971 1.00 0.00 C ATOM 177 SG CYS A 11 90.237 -7.780 10.883 1.00 0.00 S ATOM 0 H CYS A 11 87.809 -4.951 9.055 1.00 0.00 H new ATOM 0 HA CYS A 11 87.862 -6.369 11.568 1.00 0.00 H new ATOM 0 HB2 CYS A 11 88.740 -6.949 9.185 1.00 0.00 H new ATOM 0 HB3 CYS A 11 90.051 -5.826 9.483 1.00 0.00 H new ATOM 182 N LYS A 12 89.933 -3.838 11.306 1.00 0.00 N ATOM 183 CA LYS A 12 90.774 -2.934 12.143 1.00 0.00 C ATOM 184 C LYS A 12 89.892 -2.145 13.114 1.00 0.00 C ATOM 185 O LYS A 12 90.264 -1.896 14.244 1.00 0.00 O ATOM 186 CB LYS A 12 91.453 -1.992 11.149 1.00 0.00 C ATOM 187 CG LYS A 12 92.629 -2.711 10.485 1.00 0.00 C ATOM 188 CD LYS A 12 93.929 -2.310 11.182 1.00 0.00 C ATOM 189 CE LYS A 12 94.036 -3.037 12.525 1.00 0.00 C ATOM 190 NZ LYS A 12 95.348 -2.612 13.087 1.00 0.00 N ATOM 0 H LYS A 12 89.905 -3.607 10.313 1.00 0.00 H new ATOM 0 HA LYS A 12 91.499 -3.482 12.745 1.00 0.00 H new ATOM 0 HB2 LYS A 12 90.738 -1.667 10.393 1.00 0.00 H new ATOM 0 HB3 LYS A 12 91.803 -1.096 11.662 1.00 0.00 H new ATOM 0 HG2 LYS A 12 92.490 -3.790 10.544 1.00 0.00 H new ATOM 0 HG3 LYS A 12 92.676 -2.453 9.427 1.00 0.00 H new ATOM 0 HD2 LYS A 12 94.783 -2.560 10.553 1.00 0.00 H new ATOM 0 HD3 LYS A 12 93.952 -1.231 11.338 1.00 0.00 H new ATOM 0 HE2 LYS A 12 93.215 -2.764 13.188 1.00 0.00 H new ATOM 0 HE3 LYS A 12 93.994 -4.118 12.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 95.495 -3.069 14.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 96.111 -2.891 12.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 95.356 -1.579 13.207 1.00 0.00 H new ATOM 204 N ILE A 13 88.726 -1.751 12.680 1.00 0.00 N ATOM 205 CA ILE A 13 87.819 -0.977 13.575 1.00 0.00 C ATOM 206 C ILE A 13 86.375 -1.459 13.416 1.00 0.00 C ATOM 207 O ILE A 13 85.621 -0.916 12.633 1.00 0.00 O ATOM 208 CB ILE A 13 87.948 0.473 13.112 1.00 0.00 C ATOM 209 CG1 ILE A 13 89.427 0.847 13.012 1.00 0.00 C ATOM 210 CG2 ILE A 13 87.257 1.395 14.117 1.00 0.00 C ATOM 211 CD1 ILE A 13 89.558 2.241 12.395 1.00 0.00 C ATOM 0 H ILE A 13 88.362 -1.931 11.744 1.00 0.00 H new ATOM 0 HA ILE A 13 88.081 -1.097 14.626 1.00 0.00 H new ATOM 0 HB ILE A 13 87.478 0.584 12.135 1.00 0.00 H new ATOM 0 HG12 ILE A 13 89.885 0.830 14.001 1.00 0.00 H new ATOM 0 HG13 ILE A 13 89.958 0.116 12.402 1.00 0.00 H new ATOM 0 HG21 ILE A 13 87.350 2.429 13.786 1.00 0.00 H new ATOM 0 HG22 ILE A 13 86.202 1.130 14.188 1.00 0.00 H new ATOM 0 HG23 ILE A 13 87.726 1.284 15.095 1.00 0.00 H new ATOM 0 HD11 ILE A 13 90.612 2.509 12.323 1.00 0.00 H new ATOM 0 HD12 ILE A 13 89.115 2.241 11.399 1.00 0.00 H new ATOM 0 HD13 ILE A 13 89.041 2.967 13.023 1.00 0.00 H new ATOM 223 N PRO A 14 86.036 -2.465 14.173 1.00 0.00 N ATOM 224 CA PRO A 14 84.664 -3.028 14.125 1.00 0.00 C ATOM 225 C PRO A 14 83.674 -2.066 14.785 1.00 0.00 C ATOM 226 O PRO A 14 82.482 -2.139 14.567 1.00 0.00 O ATOM 227 CB PRO A 14 84.780 -4.324 14.922 1.00 0.00 C ATOM 228 CG PRO A 14 85.946 -4.115 15.834 1.00 0.00 C ATOM 229 CD PRO A 14 86.889 -3.166 15.139 1.00 0.00 C ATOM 0 HA PRO A 14 84.300 -3.191 13.111 1.00 0.00 H new ATOM 0 HB2 PRO A 14 83.869 -4.523 15.486 1.00 0.00 H new ATOM 0 HB3 PRO A 14 84.941 -5.178 14.265 1.00 0.00 H new ATOM 0 HG2 PRO A 14 85.619 -3.703 16.789 1.00 0.00 H new ATOM 0 HG3 PRO A 14 86.441 -5.062 16.049 1.00 0.00 H new ATOM 0 HD2 PRO A 14 87.349 -2.472 15.843 1.00 0.00 H new ATOM 0 HD3 PRO A 14 87.699 -3.700 14.643 1.00 0.00 H new ATOM 237 N SER A 15 84.162 -1.162 15.589 1.00 0.00 N ATOM 238 CA SER A 15 83.252 -0.192 16.262 1.00 0.00 C ATOM 239 C SER A 15 83.043 1.037 15.373 1.00 0.00 C ATOM 240 O SER A 15 82.522 2.047 15.804 1.00 0.00 O ATOM 241 CB SER A 15 83.972 0.197 17.551 1.00 0.00 C ATOM 242 OG SER A 15 85.127 0.961 17.232 1.00 0.00 O ATOM 0 H SER A 15 85.152 -1.053 15.809 1.00 0.00 H new ATOM 0 HA SER A 15 82.267 -0.616 16.458 1.00 0.00 H new ATOM 0 HB2 SER A 15 83.306 0.774 18.193 1.00 0.00 H new ATOM 0 HB3 SER A 15 84.255 -0.697 18.107 1.00 0.00 H new ATOM 0 HG SER A 15 85.590 1.214 18.058 1.00 0.00 H new ATOM 248 N SER A 16 83.447 0.958 14.135 1.00 0.00 N ATOM 249 CA SER A 16 83.274 2.120 13.216 1.00 0.00 C ATOM 250 C SER A 16 82.924 1.630 11.807 1.00 0.00 C ATOM 251 O SER A 16 83.540 0.722 11.284 1.00 0.00 O ATOM 252 CB SER A 16 84.628 2.829 13.220 1.00 0.00 C ATOM 253 OG SER A 16 84.930 3.252 14.543 1.00 0.00 O ATOM 0 H SER A 16 83.890 0.139 13.719 1.00 0.00 H new ATOM 0 HA SER A 16 82.467 2.782 13.530 1.00 0.00 H new ATOM 0 HB2 SER A 16 85.405 2.158 12.854 1.00 0.00 H new ATOM 0 HB3 SER A 16 84.605 3.687 12.548 1.00 0.00 H new ATOM 0 HG SER A 16 85.713 3.841 14.527 1.00 0.00 H new ATOM 259 N GLU A 17 81.939 2.224 11.190 1.00 0.00 N ATOM 260 CA GLU A 17 81.546 1.793 9.817 1.00 0.00 C ATOM 261 C GLU A 17 82.452 2.453 8.773 1.00 0.00 C ATOM 262 O GLU A 17 82.754 3.626 8.866 1.00 0.00 O ATOM 263 CB GLU A 17 80.103 2.267 9.650 1.00 0.00 C ATOM 264 CG GLU A 17 79.153 1.247 10.278 1.00 0.00 C ATOM 265 CD GLU A 17 79.449 1.124 11.774 1.00 0.00 C ATOM 266 OE1 GLU A 17 78.938 1.936 12.527 1.00 0.00 O ATOM 267 OE2 GLU A 17 80.183 0.220 12.139 1.00 0.00 O ATOM 0 H GLU A 17 81.388 2.990 11.578 1.00 0.00 H new ATOM 0 HA GLU A 17 81.640 0.716 9.681 1.00 0.00 H new ATOM 0 HB2 GLU A 17 79.972 3.240 10.123 1.00 0.00 H new ATOM 0 HB3 GLU A 17 79.871 2.393 8.592 1.00 0.00 H new ATOM 0 HG2 GLU A 17 78.119 1.556 10.126 1.00 0.00 H new ATOM 0 HG3 GLU A 17 79.271 0.278 9.793 1.00 0.00 H new ATOM 274 N PRO A 18 82.855 1.668 7.812 1.00 0.00 N ATOM 275 CA PRO A 18 83.738 2.176 6.734 1.00 0.00 C ATOM 276 C PRO A 18 82.936 2.991 5.712 1.00 0.00 C ATOM 277 O PRO A 18 83.385 4.009 5.228 1.00 0.00 O ATOM 278 CB PRO A 18 84.286 0.903 6.097 1.00 0.00 C ATOM 279 CG PRO A 18 83.269 -0.156 6.390 1.00 0.00 C ATOM 280 CD PRO A 18 82.533 0.249 7.643 1.00 0.00 C ATOM 0 HA PRO A 18 84.520 2.841 7.102 1.00 0.00 H new ATOM 0 HB2 PRO A 18 84.424 1.029 5.023 1.00 0.00 H new ATOM 0 HB3 PRO A 18 85.258 0.641 6.515 1.00 0.00 H new ATOM 0 HG2 PRO A 18 82.575 -0.261 5.556 1.00 0.00 H new ATOM 0 HG3 PRO A 18 83.753 -1.123 6.526 1.00 0.00 H new ATOM 0 HD2 PRO A 18 81.459 0.095 7.540 1.00 0.00 H new ATOM 0 HD3 PRO A 18 82.859 -0.337 8.502 1.00 0.00 H new ATOM 288 N LEU A 19 81.754 2.545 5.377 1.00 0.00 N ATOM 289 CA LEU A 19 80.929 3.290 4.381 1.00 0.00 C ATOM 290 C LEU A 19 80.403 4.595 4.987 1.00 0.00 C ATOM 291 O LEU A 19 79.900 5.453 4.290 1.00 0.00 O ATOM 292 CB LEU A 19 79.770 2.351 4.046 1.00 0.00 C ATOM 293 CG LEU A 19 80.290 1.176 3.216 1.00 0.00 C ATOM 294 CD1 LEU A 19 80.132 -0.121 4.013 1.00 0.00 C ATOM 295 CD2 LEU A 19 79.488 1.077 1.917 1.00 0.00 C ATOM 0 H LEU A 19 81.325 1.698 5.749 1.00 0.00 H new ATOM 0 HA LEU A 19 81.504 3.564 3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 19 79.307 1.986 4.963 1.00 0.00 H new ATOM 0 HB3 LEU A 19 79.000 2.889 3.492 1.00 0.00 H new ATOM 0 HG LEU A 19 81.343 1.333 2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 19 80.502 -0.959 3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 19 80.702 -0.050 4.939 1.00 0.00 H new ATOM 0 HD13 LEU A 19 79.079 -0.279 4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 19 79.857 0.240 1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 19 78.435 0.920 2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 19 79.599 2.001 1.349 1.00 0.00 H new ATOM 307 N LEU A 20 80.511 4.752 6.277 1.00 0.00 N ATOM 308 CA LEU A 20 80.014 6.004 6.918 1.00 0.00 C ATOM 309 C LEU A 20 81.186 6.932 7.248 1.00 0.00 C ATOM 310 O LEU A 20 81.000 8.052 7.680 1.00 0.00 O ATOM 311 CB LEU A 20 79.314 5.544 8.198 1.00 0.00 C ATOM 312 CG LEU A 20 78.070 4.730 7.838 1.00 0.00 C ATOM 313 CD1 LEU A 20 77.382 4.256 9.118 1.00 0.00 C ATOM 314 CD2 LEU A 20 77.104 5.604 7.035 1.00 0.00 C ATOM 0 H LEU A 20 80.921 4.070 6.915 1.00 0.00 H new ATOM 0 HA LEU A 20 79.343 6.563 6.266 1.00 0.00 H new ATOM 0 HB2 LEU A 20 79.994 4.941 8.800 1.00 0.00 H new ATOM 0 HB3 LEU A 20 79.034 6.407 8.802 1.00 0.00 H new ATOM 0 HG LEU A 20 78.362 3.866 7.241 1.00 0.00 H new ATOM 0 HD11 LEU A 20 76.496 3.676 8.861 1.00 0.00 H new ATOM 0 HD12 LEU A 20 78.069 3.634 9.691 1.00 0.00 H new ATOM 0 HD13 LEU A 20 77.090 5.120 9.715 1.00 0.00 H new ATOM 0 HD21 LEU A 20 76.217 5.025 6.778 1.00 0.00 H new ATOM 0 HD22 LEU A 20 76.813 6.468 7.632 1.00 0.00 H new ATOM 0 HD23 LEU A 20 77.593 5.943 6.122 1.00 0.00 H new ATOM 326 N ASP A 21 82.393 6.476 7.048 1.00 0.00 N ATOM 327 CA ASP A 21 83.574 7.334 7.352 1.00 0.00 C ATOM 328 C ASP A 21 84.609 7.233 6.227 1.00 0.00 C ATOM 329 O ASP A 21 84.953 8.212 5.596 1.00 0.00 O ATOM 330 CB ASP A 21 84.145 6.775 8.656 1.00 0.00 C ATOM 331 CG ASP A 21 83.652 7.618 9.834 1.00 0.00 C ATOM 332 OD1 ASP A 21 82.603 8.228 9.702 1.00 0.00 O ATOM 333 OD2 ASP A 21 84.331 7.640 10.846 1.00 0.00 O ATOM 0 H ASP A 21 82.612 5.547 6.688 1.00 0.00 H new ATOM 0 HA ASP A 21 83.305 8.387 7.441 1.00 0.00 H new ATOM 0 HB2 ASP A 21 83.837 5.737 8.784 1.00 0.00 H new ATOM 0 HB3 ASP A 21 85.234 6.783 8.621 1.00 0.00 H new ATOM 338 N PHE A 22 85.108 6.054 5.975 1.00 0.00 N ATOM 339 CA PHE A 22 86.122 5.888 4.893 1.00 0.00 C ATOM 340 C PHE A 22 85.427 5.700 3.541 1.00 0.00 C ATOM 341 O PHE A 22 85.795 4.849 2.757 1.00 0.00 O ATOM 342 CB PHE A 22 86.906 4.628 5.269 1.00 0.00 C ATOM 343 CG PHE A 22 87.218 4.643 6.747 1.00 0.00 C ATOM 344 CD1 PHE A 22 87.807 5.772 7.327 1.00 0.00 C ATOM 345 CD2 PHE A 22 86.916 3.527 7.536 1.00 0.00 C ATOM 346 CE1 PHE A 22 88.096 5.784 8.698 1.00 0.00 C ATOM 347 CE2 PHE A 22 87.205 3.539 8.906 1.00 0.00 C ATOM 348 CZ PHE A 22 87.795 4.667 9.487 1.00 0.00 C ATOM 0 H PHE A 22 84.858 5.198 6.471 1.00 0.00 H new ATOM 0 HA PHE A 22 86.771 6.759 4.801 1.00 0.00 H new ATOM 0 HB2 PHE A 22 86.326 3.739 5.019 1.00 0.00 H new ATOM 0 HB3 PHE A 22 87.830 4.578 4.693 1.00 0.00 H new ATOM 0 HD1 PHE A 22 88.039 6.634 6.718 1.00 0.00 H new ATOM 0 HD2 PHE A 22 86.460 2.657 7.088 1.00 0.00 H new ATOM 0 HE1 PHE A 22 88.551 6.655 9.146 1.00 0.00 H new ATOM 0 HE2 PHE A 22 86.972 2.677 9.514 1.00 0.00 H new ATOM 0 HZ PHE A 22 88.018 4.676 10.544 1.00 0.00 H new ATOM 358 N ASN A 23 84.422 6.487 3.265 1.00 0.00 N ATOM 359 CA ASN A 23 83.707 6.348 1.964 1.00 0.00 C ATOM 360 C ASN A 23 83.335 7.727 1.413 1.00 0.00 C ATOM 361 O ASN A 23 82.656 8.502 2.058 1.00 0.00 O ATOM 362 CB ASN A 23 82.449 5.542 2.288 1.00 0.00 C ATOM 363 CG ASN A 23 81.502 5.565 1.087 1.00 0.00 C ATOM 364 OD1 ASN A 23 81.886 5.214 -0.012 1.00 0.00 O ATOM 365 ND2 ASN A 23 80.272 5.968 1.250 1.00 0.00 N ATOM 0 H ASN A 23 84.066 7.217 3.882 1.00 0.00 H new ATOM 0 HA ASN A 23 84.320 5.860 1.206 1.00 0.00 H new ATOM 0 HB2 ASN A 23 82.716 4.514 2.533 1.00 0.00 H new ATOM 0 HB3 ASN A 23 81.952 5.960 3.164 1.00 0.00 H new ATOM 0 HD21 ASN A 23 79.633 5.989 0.456 1.00 0.00 H new ATOM 0 HD22 ASN A 23 79.950 6.262 2.172 1.00 0.00 H new ATOM 372 N ASN A 24 83.775 8.038 0.223 1.00 0.00 N ATOM 373 CA ASN A 24 83.450 9.366 -0.374 1.00 0.00 C ATOM 374 C ASN A 24 84.015 10.493 0.492 1.00 0.00 C ATOM 375 O ASN A 24 83.292 11.348 0.966 1.00 0.00 O ATOM 376 CB ASN A 24 81.923 9.429 -0.401 1.00 0.00 C ATOM 377 CG ASN A 24 81.480 10.627 -1.241 1.00 0.00 C ATOM 378 OD1 ASN A 24 80.399 11.279 -0.910 1.00 0.00 O flip ATOM 379 ND2 ASN A 24 82.125 10.974 -2.210 1.00 0.00 N flip ATOM 0 H ASN A 24 84.346 7.429 -0.362 1.00 0.00 H new ATOM 0 HA ASN A 24 83.881 9.483 -1.368 1.00 0.00 H new ATOM 0 HB2 ASN A 24 81.517 8.508 -0.819 1.00 0.00 H new ATOM 0 HB3 ASN A 24 81.534 9.518 0.613 1.00 0.00 H new ATOM 0 HD21 ASN A 24 82.970 10.465 -2.469 1.00 0.00 H new ATOM 0 HD22 ASN A 24 81.822 11.775 -2.764 1.00 0.00 H new ATOM 386 N TYR A 25 85.302 10.504 0.703 1.00 0.00 N ATOM 387 CA TYR A 25 85.914 11.576 1.537 1.00 0.00 C ATOM 388 C TYR A 25 87.278 11.968 0.961 1.00 0.00 C ATOM 389 O TYR A 25 87.855 11.249 0.172 1.00 0.00 O ATOM 390 CB TYR A 25 86.070 10.946 2.923 1.00 0.00 C ATOM 391 CG TYR A 25 87.021 11.771 3.756 1.00 0.00 C ATOM 392 CD1 TYR A 25 88.401 11.692 3.531 1.00 0.00 C ATOM 393 CD2 TYR A 25 86.523 12.613 4.758 1.00 0.00 C ATOM 394 CE1 TYR A 25 89.283 12.454 4.307 1.00 0.00 C ATOM 395 CE2 TYR A 25 87.404 13.375 5.533 1.00 0.00 C ATOM 396 CZ TYR A 25 88.784 13.296 5.308 1.00 0.00 C ATOM 397 OH TYR A 25 89.652 14.048 6.073 1.00 0.00 O ATOM 0 H TYR A 25 85.957 9.816 0.333 1.00 0.00 H new ATOM 0 HA TYR A 25 85.311 12.483 1.568 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.100 10.885 3.416 1.00 0.00 H new ATOM 0 HB3 TYR A 25 86.445 9.927 2.829 1.00 0.00 H new ATOM 0 HD1 TYR A 25 88.785 11.043 2.758 1.00 0.00 H new ATOM 0 HD2 TYR A 25 85.459 12.674 4.933 1.00 0.00 H new ATOM 0 HE1 TYR A 25 90.347 12.392 4.133 1.00 0.00 H new ATOM 0 HE2 TYR A 25 87.020 14.025 6.305 1.00 0.00 H new ATOM 0 HH TYR A 25 89.669 13.698 6.988 1.00 0.00 H new ATOM 407 N GLY A 26 87.798 13.099 1.343 1.00 0.00 N ATOM 408 CA GLY A 26 89.124 13.517 0.807 1.00 0.00 C ATOM 409 C GLY A 26 89.116 13.415 -0.717 1.00 0.00 C ATOM 410 O GLY A 26 88.077 13.309 -1.339 1.00 0.00 O ATOM 0 H GLY A 26 87.366 13.750 1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 26 89.345 14.540 1.112 1.00 0.00 H new ATOM 0 HA3 GLY A 26 89.910 12.885 1.220 1.00 0.00 H new ATOM 414 N CYS A 27 90.268 13.452 -1.320 1.00 0.00 N ATOM 415 CA CYS A 27 90.340 13.366 -2.806 1.00 0.00 C ATOM 416 C CYS A 27 90.476 11.910 -3.261 1.00 0.00 C ATOM 417 O CYS A 27 90.220 11.585 -4.404 1.00 0.00 O ATOM 418 CB CYS A 27 91.593 14.156 -3.185 1.00 0.00 C ATOM 419 SG CYS A 27 91.463 15.841 -2.540 1.00 0.00 S ATOM 0 H CYS A 27 91.168 13.538 -0.848 1.00 0.00 H new ATOM 0 HA CYS A 27 89.440 13.760 -3.279 1.00 0.00 H new ATOM 0 HB2 CYS A 27 92.480 13.668 -2.780 1.00 0.00 H new ATOM 0 HB3 CYS A 27 91.708 14.178 -4.269 1.00 0.00 H new ATOM 424 N TYR A 28 90.889 11.029 -2.390 1.00 0.00 N ATOM 425 CA TYR A 28 91.049 9.604 -2.803 1.00 0.00 C ATOM 426 C TYR A 28 90.020 8.707 -2.104 1.00 0.00 C ATOM 427 O TYR A 28 89.306 7.963 -2.746 1.00 0.00 O ATOM 428 CB TYR A 28 92.471 9.236 -2.381 1.00 0.00 C ATOM 429 CG TYR A 28 93.453 10.065 -3.177 1.00 0.00 C ATOM 430 CD1 TYR A 28 93.846 9.651 -4.455 1.00 0.00 C ATOM 431 CD2 TYR A 28 93.965 11.250 -2.638 1.00 0.00 C ATOM 432 CE1 TYR A 28 94.752 10.422 -5.194 1.00 0.00 C ATOM 433 CE2 TYR A 28 94.871 12.022 -3.375 1.00 0.00 C ATOM 434 CZ TYR A 28 95.263 11.609 -4.654 1.00 0.00 C ATOM 435 OH TYR A 28 96.155 12.370 -5.381 1.00 0.00 O ATOM 0 H TYR A 28 91.121 11.231 -1.418 1.00 0.00 H new ATOM 0 HA TYR A 28 90.888 9.467 -3.872 1.00 0.00 H new ATOM 0 HB2 TYR A 28 92.605 9.416 -1.314 1.00 0.00 H new ATOM 0 HB3 TYR A 28 92.651 8.174 -2.551 1.00 0.00 H new ATOM 0 HD1 TYR A 28 93.450 8.736 -4.871 1.00 0.00 H new ATOM 0 HD2 TYR A 28 93.661 11.570 -1.652 1.00 0.00 H new ATOM 0 HE1 TYR A 28 95.056 10.102 -6.179 1.00 0.00 H new ATOM 0 HE2 TYR A 28 95.267 12.936 -2.957 1.00 0.00 H new ATOM 0 HH TYR A 28 96.241 13.255 -4.970 1.00 0.00 H new ATOM 445 N CYS A 29 89.940 8.763 -0.802 1.00 0.00 N ATOM 446 CA CYS A 29 88.953 7.901 -0.083 1.00 0.00 C ATOM 447 C CYS A 29 87.613 7.900 -0.823 1.00 0.00 C ATOM 448 O CYS A 29 86.875 8.865 -0.789 1.00 0.00 O ATOM 449 CB CYS A 29 88.795 8.531 1.301 1.00 0.00 C ATOM 450 SG CYS A 29 90.392 8.529 2.155 1.00 0.00 S ATOM 0 H CYS A 29 90.510 9.363 -0.207 1.00 0.00 H new ATOM 0 HA CYS A 29 89.287 6.865 -0.021 1.00 0.00 H new ATOM 0 HB2 CYS A 29 88.423 9.551 1.207 1.00 0.00 H new ATOM 0 HB3 CYS A 29 88.059 7.976 1.883 1.00 0.00 H new ATOM 455 N GLY A 30 87.291 6.824 -1.488 1.00 0.00 N ATOM 456 CA GLY A 30 85.997 6.766 -2.227 1.00 0.00 C ATOM 457 C GLY A 30 86.146 5.862 -3.453 1.00 0.00 C ATOM 458 O GLY A 30 86.621 4.748 -3.361 1.00 0.00 O ATOM 0 H GLY A 30 87.866 5.984 -1.552 1.00 0.00 H new ATOM 0 HA2 GLY A 30 85.211 6.385 -1.575 1.00 0.00 H new ATOM 0 HA3 GLY A 30 85.698 7.768 -2.535 1.00 0.00 H new ATOM 462 N LEU A 31 85.743 6.334 -4.601 1.00 0.00 N ATOM 463 CA LEU A 31 85.860 5.502 -5.832 1.00 0.00 C ATOM 464 C LEU A 31 86.352 6.355 -7.004 1.00 0.00 C ATOM 465 O LEU A 31 86.198 5.994 -8.154 1.00 0.00 O ATOM 466 CB LEU A 31 84.446 4.989 -6.101 1.00 0.00 C ATOM 467 CG LEU A 31 84.498 3.870 -7.142 1.00 0.00 C ATOM 468 CD1 LEU A 31 84.879 2.555 -6.462 1.00 0.00 C ATOM 469 CD2 LEU A 31 83.124 3.723 -7.801 1.00 0.00 C ATOM 0 H LEU A 31 85.338 7.260 -4.740 1.00 0.00 H new ATOM 0 HA LEU A 31 86.573 4.687 -5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 31 84.000 4.620 -5.177 1.00 0.00 H new ATOM 0 HB3 LEU A 31 83.814 5.803 -6.458 1.00 0.00 H new ATOM 0 HG LEU A 31 85.242 4.115 -7.900 1.00 0.00 H new ATOM 0 HD11 LEU A 31 84.916 1.758 -7.205 1.00 0.00 H new ATOM 0 HD12 LEU A 31 85.857 2.658 -5.992 1.00 0.00 H new ATOM 0 HD13 LEU A 31 84.136 2.309 -5.703 1.00 0.00 H new ATOM 0 HD21 LEU A 31 83.160 2.926 -8.543 1.00 0.00 H new ATOM 0 HD22 LEU A 31 82.381 3.479 -7.042 1.00 0.00 H new ATOM 0 HD23 LEU A 31 82.852 4.660 -8.288 1.00 0.00 H new ATOM 481 N GLY A 32 86.943 7.483 -6.721 1.00 0.00 N ATOM 482 CA GLY A 32 87.444 8.358 -7.819 1.00 0.00 C ATOM 483 C GLY A 32 88.245 9.516 -7.223 1.00 0.00 C ATOM 484 O GLY A 32 89.317 9.328 -6.683 1.00 0.00 O ATOM 0 H GLY A 32 87.101 7.837 -5.777 1.00 0.00 H new ATOM 0 HA2 GLY A 32 88.070 7.782 -8.501 1.00 0.00 H new ATOM 0 HA3 GLY A 32 86.607 8.743 -8.402 1.00 0.00 H new ATOM 488 N GLY A 33 87.734 10.713 -7.317 1.00 0.00 N ATOM 489 CA GLY A 33 88.466 11.883 -6.756 1.00 0.00 C ATOM 490 C GLY A 33 89.895 11.900 -7.297 1.00 0.00 C ATOM 491 O GLY A 33 90.318 10.995 -7.988 1.00 0.00 O ATOM 0 H GLY A 33 86.841 10.931 -7.758 1.00 0.00 H new ATOM 0 HA2 GLY A 33 87.954 12.807 -7.023 1.00 0.00 H new ATOM 0 HA3 GLY A 33 88.479 11.829 -5.667 1.00 0.00 H new ATOM 495 N SER A 34 90.642 12.925 -6.989 1.00 0.00 N ATOM 496 CA SER A 34 92.046 13.001 -7.489 1.00 0.00 C ATOM 497 C SER A 34 92.645 14.373 -7.169 1.00 0.00 C ATOM 498 O SER A 34 91.942 15.357 -7.056 1.00 0.00 O ATOM 499 CB SER A 34 91.936 12.805 -8.999 1.00 0.00 C ATOM 500 OG SER A 34 93.095 13.339 -9.627 1.00 0.00 O ATOM 0 H SER A 34 90.342 13.712 -6.414 1.00 0.00 H new ATOM 0 HA SER A 34 92.692 12.255 -7.026 1.00 0.00 H new ATOM 0 HB2 SER A 34 91.837 11.745 -9.234 1.00 0.00 H new ATOM 0 HB3 SER A 34 91.042 13.300 -9.378 1.00 0.00 H new ATOM 0 HG SER A 34 93.029 13.213 -10.597 1.00 0.00 H new ATOM 506 N GLY A 35 93.939 14.448 -7.026 1.00 0.00 N ATOM 507 CA GLY A 35 94.579 15.758 -6.718 1.00 0.00 C ATOM 508 C GLY A 35 95.267 15.690 -5.354 1.00 0.00 C ATOM 509 O GLY A 35 95.223 14.685 -4.673 1.00 0.00 O ATOM 0 H GLY A 35 94.581 13.660 -7.109 1.00 0.00 H new ATOM 0 HA2 GLY A 35 95.306 16.008 -7.490 1.00 0.00 H new ATOM 0 HA3 GLY A 35 93.829 16.549 -6.718 1.00 0.00 H new ATOM 513 N THR A 36 95.902 16.756 -4.952 1.00 0.00 N ATOM 514 CA THR A 36 96.597 16.767 -3.633 1.00 0.00 C ATOM 515 C THR A 36 95.665 16.253 -2.533 1.00 0.00 C ATOM 516 O THR A 36 94.471 16.477 -2.576 1.00 0.00 O ATOM 517 CB THR A 36 96.946 18.238 -3.396 1.00 0.00 C ATOM 518 OG1 THR A 36 97.547 18.774 -4.566 1.00 0.00 O ATOM 519 CG2 THR A 36 97.918 18.356 -2.221 1.00 0.00 C ATOM 0 H THR A 36 95.970 17.624 -5.483 1.00 0.00 H new ATOM 0 HA THR A 36 97.477 16.125 -3.621 1.00 0.00 H new ATOM 0 HB THR A 36 96.037 18.793 -3.166 1.00 0.00 H new ATOM 0 HG1 THR A 36 97.770 19.717 -4.417 1.00 0.00 H new ATOM 0 HG21 THR A 36 98.164 19.405 -2.056 1.00 0.00 H new ATOM 0 HG22 THR A 36 97.455 17.946 -1.323 1.00 0.00 H new ATOM 0 HG23 THR A 36 98.829 17.801 -2.445 1.00 0.00 H new ATOM 527 N PRO A 37 96.247 15.582 -1.573 1.00 0.00 N ATOM 528 CA PRO A 37 95.457 15.034 -0.442 1.00 0.00 C ATOM 529 C PRO A 37 94.966 16.169 0.464 1.00 0.00 C ATOM 530 O PRO A 37 95.358 17.308 0.314 1.00 0.00 O ATOM 531 CB PRO A 37 96.453 14.137 0.290 1.00 0.00 C ATOM 532 CG PRO A 37 97.798 14.684 -0.069 1.00 0.00 C ATOM 533 CD PRO A 37 97.677 15.272 -1.450 1.00 0.00 C ATOM 0 HA PRO A 37 94.565 14.495 -0.760 1.00 0.00 H new ATOM 0 HB2 PRO A 37 96.291 14.163 1.368 1.00 0.00 H new ATOM 0 HB3 PRO A 37 96.353 13.098 -0.023 1.00 0.00 H new ATOM 0 HG2 PRO A 37 98.110 15.443 0.648 1.00 0.00 H new ATOM 0 HG3 PRO A 37 98.553 13.898 -0.049 1.00 0.00 H new ATOM 0 HD2 PRO A 37 98.291 16.166 -1.560 1.00 0.00 H new ATOM 0 HD3 PRO A 37 98.001 14.567 -2.215 1.00 0.00 H new ATOM 541 N VAL A 38 94.106 15.865 1.398 1.00 0.00 N ATOM 542 CA VAL A 38 93.587 16.929 2.305 1.00 0.00 C ATOM 543 C VAL A 38 93.896 16.584 3.765 1.00 0.00 C ATOM 544 O VAL A 38 94.052 17.455 4.597 1.00 0.00 O ATOM 545 CB VAL A 38 92.077 16.945 2.068 1.00 0.00 C ATOM 546 CG1 VAL A 38 91.782 17.495 0.672 1.00 0.00 C ATOM 547 CG2 VAL A 38 91.531 15.521 2.178 1.00 0.00 C ATOM 0 H VAL A 38 93.741 14.929 1.572 1.00 0.00 H new ATOM 0 HA VAL A 38 94.044 17.898 2.107 1.00 0.00 H new ATOM 0 HB VAL A 38 91.600 17.579 2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 38 90.705 17.505 0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 38 92.172 18.510 0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 38 92.259 16.862 -0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 38 90.454 15.530 2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 38 92.010 14.889 1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 38 91.739 15.127 3.173 1.00 0.00 H new ATOM 557 N ASP A 39 93.983 15.321 4.086 1.00 0.00 N ATOM 558 CA ASP A 39 94.280 14.930 5.495 1.00 0.00 C ATOM 559 C ASP A 39 95.074 13.621 5.526 1.00 0.00 C ATOM 560 O ASP A 39 95.159 12.912 4.545 1.00 0.00 O ATOM 561 CB ASP A 39 92.910 14.741 6.148 1.00 0.00 C ATOM 562 CG ASP A 39 93.086 14.122 7.537 1.00 0.00 C ATOM 563 OD1 ASP A 39 93.389 12.941 7.604 1.00 0.00 O ATOM 564 OD2 ASP A 39 92.917 14.839 8.509 1.00 0.00 O ATOM 0 H ASP A 39 93.862 14.545 3.436 1.00 0.00 H new ATOM 0 HA ASP A 39 94.881 15.677 6.013 1.00 0.00 H new ATOM 0 HB2 ASP A 39 92.398 15.700 6.228 1.00 0.00 H new ATOM 0 HB3 ASP A 39 92.286 14.097 5.528 1.00 0.00 H new ATOM 569 N ASP A 40 95.656 13.296 6.649 1.00 0.00 N ATOM 570 CA ASP A 40 96.442 12.034 6.741 1.00 0.00 C ATOM 571 C ASP A 40 95.591 10.850 6.274 1.00 0.00 C ATOM 572 O ASP A 40 96.072 9.951 5.614 1.00 0.00 O ATOM 573 CB ASP A 40 96.798 11.891 8.221 1.00 0.00 C ATOM 574 CG ASP A 40 98.293 12.152 8.414 1.00 0.00 C ATOM 575 OD1 ASP A 40 99.081 11.445 7.807 1.00 0.00 O ATOM 576 OD2 ASP A 40 98.626 13.054 9.166 1.00 0.00 O ATOM 0 H ASP A 40 95.621 13.850 7.505 1.00 0.00 H new ATOM 0 HA ASP A 40 97.332 12.055 6.112 1.00 0.00 H new ATOM 0 HB2 ASP A 40 96.215 12.595 8.816 1.00 0.00 H new ATOM 0 HB3 ASP A 40 96.544 10.891 8.572 1.00 0.00 H new ATOM 581 N LEU A 41 94.328 10.841 6.608 1.00 0.00 N ATOM 582 CA LEU A 41 93.455 9.713 6.176 1.00 0.00 C ATOM 583 C LEU A 41 93.353 9.686 4.651 1.00 0.00 C ATOM 584 O LEU A 41 93.472 8.649 4.030 1.00 0.00 O ATOM 585 CB LEU A 41 92.087 9.993 6.797 1.00 0.00 C ATOM 586 CG LEU A 41 91.234 8.726 6.724 1.00 0.00 C ATOM 587 CD1 LEU A 41 91.847 7.650 7.617 1.00 0.00 C ATOM 588 CD2 LEU A 41 89.816 9.030 7.206 1.00 0.00 C ATOM 0 H LEU A 41 93.865 11.564 7.159 1.00 0.00 H new ATOM 0 HA LEU A 41 93.849 8.747 6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 41 92.203 10.309 7.834 1.00 0.00 H new ATOM 0 HB3 LEU A 41 91.594 10.809 6.268 1.00 0.00 H new ATOM 0 HG LEU A 41 91.200 8.375 5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 41 91.240 6.746 7.566 1.00 0.00 H new ATOM 0 HD12 LEU A 41 92.858 7.428 7.277 1.00 0.00 H new ATOM 0 HD13 LEU A 41 91.881 8.007 8.646 1.00 0.00 H new ATOM 0 HD21 LEU A 41 89.212 8.125 7.152 1.00 0.00 H new ATOM 0 HD22 LEU A 41 89.850 9.383 8.237 1.00 0.00 H new ATOM 0 HD23 LEU A 41 89.374 9.799 6.573 1.00 0.00 H new ATOM 600 N ASP A 42 93.136 10.818 4.043 1.00 0.00 N ATOM 601 CA ASP A 42 93.031 10.853 2.560 1.00 0.00 C ATOM 602 C ASP A 42 94.315 10.301 1.943 1.00 0.00 C ATOM 603 O ASP A 42 94.291 9.598 0.953 1.00 0.00 O ATOM 604 CB ASP A 42 92.855 12.329 2.207 1.00 0.00 C ATOM 605 CG ASP A 42 92.489 12.458 0.728 1.00 0.00 C ATOM 606 OD1 ASP A 42 91.519 11.841 0.323 1.00 0.00 O ATOM 607 OD2 ASP A 42 93.188 13.170 0.026 1.00 0.00 O ATOM 0 H ASP A 42 93.027 11.719 4.509 1.00 0.00 H new ATOM 0 HA ASP A 42 92.205 10.250 2.184 1.00 0.00 H new ATOM 0 HB2 ASP A 42 92.075 12.772 2.826 1.00 0.00 H new ATOM 0 HB3 ASP A 42 93.775 12.876 2.414 1.00 0.00 H new ATOM 612 N ARG A 43 95.436 10.612 2.530 1.00 0.00 N ATOM 613 CA ARG A 43 96.725 10.108 1.998 1.00 0.00 C ATOM 614 C ARG A 43 96.710 8.585 1.943 1.00 0.00 C ATOM 615 O ARG A 43 97.178 7.979 0.999 1.00 0.00 O ATOM 616 CB ARG A 43 97.757 10.596 3.005 1.00 0.00 C ATOM 617 CG ARG A 43 98.243 11.979 2.586 1.00 0.00 C ATOM 618 CD ARG A 43 99.759 12.050 2.725 1.00 0.00 C ATOM 619 NE ARG A 43 100.272 10.861 2.004 1.00 0.00 N ATOM 620 CZ ARG A 43 101.556 10.640 1.938 1.00 0.00 C ATOM 621 NH1 ARG A 43 102.204 10.244 2.999 1.00 0.00 N ATOM 622 NH2 ARG A 43 102.192 10.815 0.814 1.00 0.00 N ATOM 0 H ARG A 43 95.512 11.198 3.361 1.00 0.00 H new ATOM 0 HA ARG A 43 96.932 10.456 0.986 1.00 0.00 H new ATOM 0 HB2 ARG A 43 97.320 10.637 4.003 1.00 0.00 H new ATOM 0 HB3 ARG A 43 98.595 9.901 3.052 1.00 0.00 H new ATOM 0 HG2 ARG A 43 97.952 12.181 1.555 1.00 0.00 H new ATOM 0 HG3 ARG A 43 97.774 12.744 3.205 1.00 0.00 H new ATOM 0 HD2 ARG A 43 100.151 12.971 2.294 1.00 0.00 H new ATOM 0 HD3 ARG A 43 100.059 12.035 3.773 1.00 0.00 H new ATOM 0 HE ARG A 43 99.620 10.215 1.559 1.00 0.00 H new ATOM 0 HH11 ARG A 43 101.707 10.107 3.879 1.00 0.00 H new ATOM 0 HH12 ARG A 43 103.208 10.071 2.948 1.00 0.00 H new ATOM 0 HH21 ARG A 43 101.686 11.125 -0.015 1.00 0.00 H new ATOM 0 HH22 ARG A 43 103.196 10.642 0.764 1.00 0.00 H new ATOM 636 N CYS A 44 96.173 7.961 2.950 1.00 0.00 N ATOM 637 CA CYS A 44 96.125 6.480 2.961 1.00 0.00 C ATOM 638 C CYS A 44 95.372 5.981 1.729 1.00 0.00 C ATOM 639 O CYS A 44 95.777 5.044 1.070 1.00 0.00 O ATOM 640 CB CYS A 44 95.358 6.106 4.229 1.00 0.00 C ATOM 641 SG CYS A 44 96.078 6.942 5.666 1.00 0.00 S ATOM 0 H CYS A 44 95.765 8.416 3.767 1.00 0.00 H new ATOM 0 HA CYS A 44 97.121 6.037 2.945 1.00 0.00 H new ATOM 0 HB2 CYS A 44 94.310 6.385 4.124 1.00 0.00 H new ATOM 0 HB3 CYS A 44 95.387 5.026 4.375 1.00 0.00 H new ATOM 646 N CYS A 45 94.271 6.608 1.421 1.00 0.00 N ATOM 647 CA CYS A 45 93.469 6.188 0.237 1.00 0.00 C ATOM 648 C CYS A 45 94.282 6.373 -1.042 1.00 0.00 C ATOM 649 O CYS A 45 94.320 5.512 -1.898 1.00 0.00 O ATOM 650 CB CYS A 45 92.254 7.114 0.237 1.00 0.00 C ATOM 651 SG CYS A 45 91.211 6.748 1.670 1.00 0.00 S ATOM 0 H CYS A 45 93.890 7.398 1.941 1.00 0.00 H new ATOM 0 HA CYS A 45 93.182 5.137 0.282 1.00 0.00 H new ATOM 0 HB2 CYS A 45 92.577 8.155 0.266 1.00 0.00 H new ATOM 0 HB3 CYS A 45 91.684 6.983 -0.683 1.00 0.00 H new ATOM 656 N GLN A 46 94.939 7.492 -1.177 1.00 0.00 N ATOM 657 CA GLN A 46 95.757 7.730 -2.399 1.00 0.00 C ATOM 658 C GLN A 46 96.777 6.604 -2.551 1.00 0.00 C ATOM 659 O GLN A 46 96.994 6.082 -3.627 1.00 0.00 O ATOM 660 CB GLN A 46 96.457 9.067 -2.149 1.00 0.00 C ATOM 661 CG GLN A 46 97.297 9.443 -3.370 1.00 0.00 C ATOM 662 CD GLN A 46 97.794 10.876 -3.225 1.00 0.00 C ATOM 663 OE1 GLN A 46 97.519 11.533 -2.240 1.00 0.00 O ATOM 664 NE2 GLN A 46 98.523 11.394 -4.171 1.00 0.00 N ATOM 0 H GLN A 46 94.945 8.251 -0.495 1.00 0.00 H new ATOM 0 HA GLN A 46 95.162 7.754 -3.312 1.00 0.00 H new ATOM 0 HB2 GLN A 46 95.719 9.844 -1.950 1.00 0.00 H new ATOM 0 HB3 GLN A 46 97.092 8.997 -1.266 1.00 0.00 H new ATOM 0 HG2 GLN A 46 98.143 8.762 -3.466 1.00 0.00 H new ATOM 0 HG3 GLN A 46 96.702 9.343 -4.278 1.00 0.00 H new ATOM 0 HE21 GLN A 46 98.753 10.842 -4.997 1.00 0.00 H new ATOM 0 HE22 GLN A 46 98.864 12.352 -4.086 1.00 0.00 H new ATOM 673 N THR A 47 97.397 6.222 -1.471 1.00 0.00 N ATOM 674 CA THR A 47 98.397 5.127 -1.525 1.00 0.00 C ATOM 675 C THR A 47 97.715 3.819 -1.930 1.00 0.00 C ATOM 676 O THR A 47 98.316 2.948 -2.528 1.00 0.00 O ATOM 677 CB THR A 47 98.936 5.023 -0.101 1.00 0.00 C ATOM 678 OG1 THR A 47 99.397 6.298 0.322 1.00 0.00 O ATOM 679 CG2 THR A 47 100.088 4.019 -0.058 1.00 0.00 C ATOM 0 H THR A 47 97.251 6.627 -0.546 1.00 0.00 H new ATOM 0 HA THR A 47 99.187 5.318 -2.251 1.00 0.00 H new ATOM 0 HB THR A 47 98.142 4.684 0.564 1.00 0.00 H new ATOM 0 HG1 THR A 47 98.649 6.808 0.699 1.00 0.00 H new ATOM 0 HG21 THR A 47 100.470 3.947 0.960 1.00 0.00 H new ATOM 0 HG22 THR A 47 99.731 3.041 -0.381 1.00 0.00 H new ATOM 0 HG23 THR A 47 100.885 4.352 -0.722 1.00 0.00 H new ATOM 687 N HIS A 48 96.458 3.682 -1.611 1.00 0.00 N ATOM 688 CA HIS A 48 95.725 2.439 -1.976 1.00 0.00 C ATOM 689 C HIS A 48 95.724 2.282 -3.492 1.00 0.00 C ATOM 690 O HIS A 48 96.083 1.250 -4.024 1.00 0.00 O ATOM 691 CB HIS A 48 94.302 2.653 -1.459 1.00 0.00 C ATOM 692 CG HIS A 48 93.509 1.388 -1.633 1.00 0.00 C ATOM 693 ND1 HIS A 48 92.513 1.267 -2.588 1.00 0.00 N ATOM 694 CD2 HIS A 48 93.551 0.182 -0.979 1.00 0.00 C ATOM 695 CE1 HIS A 48 92.001 0.027 -2.485 1.00 0.00 C ATOM 696 NE2 HIS A 48 92.598 -0.677 -1.520 1.00 0.00 N ATOM 0 H HIS A 48 95.906 4.380 -1.112 1.00 0.00 H new ATOM 0 HA HIS A 48 96.177 1.542 -1.553 1.00 0.00 H new ATOM 0 HB2 HIS A 48 94.325 2.938 -0.407 1.00 0.00 H new ATOM 0 HB3 HIS A 48 93.826 3.470 -2.001 1.00 0.00 H new ATOM 0 HD2 HIS A 48 94.221 -0.063 -0.168 1.00 0.00 H new ATOM 0 HE1 HIS A 48 91.204 -0.353 -3.107 1.00 0.00 H new ATOM 0 HE2 HIS A 48 92.399 -1.637 -1.240 1.00 0.00 H new ATOM 704 N ASP A 49 95.332 3.308 -4.189 1.00 0.00 N ATOM 705 CA ASP A 49 95.317 3.239 -5.669 1.00 0.00 C ATOM 706 C ASP A 49 96.738 2.994 -6.177 1.00 0.00 C ATOM 707 O ASP A 49 96.972 2.172 -7.042 1.00 0.00 O ATOM 708 CB ASP A 49 94.806 4.605 -6.124 1.00 0.00 C ATOM 709 CG ASP A 49 93.278 4.587 -6.185 1.00 0.00 C ATOM 710 OD1 ASP A 49 92.745 3.846 -6.995 1.00 0.00 O ATOM 711 OD2 ASP A 49 92.666 5.316 -5.422 1.00 0.00 O ATOM 0 H ASP A 49 95.020 4.195 -3.793 1.00 0.00 H new ATOM 0 HA ASP A 49 94.691 2.432 -6.050 1.00 0.00 H new ATOM 0 HB2 ASP A 49 95.143 5.379 -5.434 1.00 0.00 H new ATOM 0 HB3 ASP A 49 95.216 4.850 -7.104 1.00 0.00 H new ATOM 716 N ASN A 50 97.689 3.705 -5.636 1.00 0.00 N ATOM 717 CA ASN A 50 99.098 3.525 -6.064 1.00 0.00 C ATOM 718 C ASN A 50 99.515 2.064 -5.885 1.00 0.00 C ATOM 719 O ASN A 50 100.335 1.547 -6.618 1.00 0.00 O ATOM 720 CB ASN A 50 99.906 4.435 -5.138 1.00 0.00 C ATOM 721 CG ASN A 50 99.838 5.876 -5.650 1.00 0.00 C ATOM 722 OD1 ASN A 50 100.477 6.218 -6.626 1.00 0.00 O ATOM 723 ND2 ASN A 50 99.086 6.743 -5.027 1.00 0.00 N ATOM 0 H ASN A 50 97.545 4.407 -4.910 1.00 0.00 H new ATOM 0 HA ASN A 50 99.253 3.773 -7.114 1.00 0.00 H new ATOM 0 HB2 ASN A 50 99.513 4.380 -4.123 1.00 0.00 H new ATOM 0 HB3 ASN A 50 100.943 4.101 -5.097 1.00 0.00 H new ATOM 0 HD21 ASN A 50 99.035 7.706 -5.359 1.00 0.00 H new ATOM 0 HD22 ASN A 50 98.549 6.457 -4.208 1.00 0.00 H new ATOM 730 N CYS A 51 98.952 1.394 -4.916 1.00 0.00 N ATOM 731 CA CYS A 51 99.313 -0.035 -4.692 1.00 0.00 C ATOM 732 C CYS A 51 98.694 -0.906 -5.787 1.00 0.00 C ATOM 733 O CYS A 51 99.300 -1.846 -6.265 1.00 0.00 O ATOM 734 CB CYS A 51 98.721 -0.386 -3.328 1.00 0.00 C ATOM 735 SG CYS A 51 99.561 -1.847 -2.666 1.00 0.00 S ATOM 0 H CYS A 51 98.259 1.774 -4.271 1.00 0.00 H new ATOM 0 HA CYS A 51 100.390 -0.201 -4.720 1.00 0.00 H new ATOM 0 HB2 CYS A 51 98.835 0.454 -2.643 1.00 0.00 H new ATOM 0 HB3 CYS A 51 97.652 -0.579 -3.422 1.00 0.00 H new ATOM 740 N TYR A 52 97.491 -0.600 -6.192 1.00 0.00 N ATOM 741 CA TYR A 52 96.836 -1.408 -7.260 1.00 0.00 C ATOM 742 C TYR A 52 97.613 -1.269 -8.571 1.00 0.00 C ATOM 743 O TYR A 52 97.622 -2.158 -9.400 1.00 0.00 O ATOM 744 CB TYR A 52 95.434 -0.815 -7.403 1.00 0.00 C ATOM 745 CG TYR A 52 94.488 -1.520 -6.460 1.00 0.00 C ATOM 746 CD1 TYR A 52 94.953 -1.999 -5.229 1.00 0.00 C ATOM 747 CD2 TYR A 52 93.145 -1.694 -6.817 1.00 0.00 C ATOM 748 CE1 TYR A 52 94.075 -2.653 -4.355 1.00 0.00 C ATOM 749 CE2 TYR A 52 92.268 -2.348 -5.942 1.00 0.00 C ATOM 750 CZ TYR A 52 92.733 -2.826 -4.712 1.00 0.00 C ATOM 751 OH TYR A 52 91.868 -3.470 -3.850 1.00 0.00 O ATOM 0 H TYR A 52 96.934 0.174 -5.830 1.00 0.00 H new ATOM 0 HA TYR A 52 96.805 -2.470 -7.017 1.00 0.00 H new ATOM 0 HB2 TYR A 52 95.455 0.252 -7.183 1.00 0.00 H new ATOM 0 HB3 TYR A 52 95.086 -0.921 -8.430 1.00 0.00 H new ATOM 0 HD1 TYR A 52 95.989 -1.864 -4.953 1.00 0.00 H new ATOM 0 HD2 TYR A 52 92.786 -1.324 -7.766 1.00 0.00 H new ATOM 0 HE1 TYR A 52 94.434 -3.024 -3.406 1.00 0.00 H new ATOM 0 HE2 TYR A 52 91.232 -2.483 -6.217 1.00 0.00 H new ATOM 0 HH TYR A 52 92.174 -3.347 -2.927 1.00 0.00 H new ATOM 761 N LYS A 53 98.279 -0.162 -8.756 1.00 0.00 N ATOM 762 CA LYS A 53 99.071 0.030 -10.007 1.00 0.00 C ATOM 763 C LYS A 53 100.293 -0.863 -9.934 1.00 0.00 C ATOM 764 O LYS A 53 100.531 -1.704 -10.777 1.00 0.00 O ATOM 765 CB LYS A 53 99.509 1.501 -10.019 1.00 0.00 C ATOM 766 CG LYS A 53 98.397 2.397 -9.478 1.00 0.00 C ATOM 767 CD LYS A 53 97.925 3.347 -10.579 1.00 0.00 C ATOM 768 CE LYS A 53 96.518 2.945 -11.030 1.00 0.00 C ATOM 769 NZ LYS A 53 95.733 4.211 -11.010 1.00 0.00 N ATOM 0 H LYS A 53 98.310 0.617 -8.098 1.00 0.00 H new ATOM 0 HA LYS A 53 98.499 -0.215 -10.902 1.00 0.00 H new ATOM 0 HB2 LYS A 53 100.408 1.623 -9.415 1.00 0.00 H new ATOM 0 HB3 LYS A 53 99.764 1.802 -11.035 1.00 0.00 H new ATOM 0 HG2 LYS A 53 97.564 1.788 -9.127 1.00 0.00 H new ATOM 0 HG3 LYS A 53 98.759 2.967 -8.622 1.00 0.00 H new ATOM 0 HD2 LYS A 53 97.922 4.373 -10.212 1.00 0.00 H new ATOM 0 HD3 LYS A 53 98.613 3.313 -11.424 1.00 0.00 H new ATOM 0 HE2 LYS A 53 96.533 2.505 -12.027 1.00 0.00 H new ATOM 0 HE3 LYS A 53 96.086 2.201 -10.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 94.755 4.018 -11.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 95.731 4.603 -10.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 96.164 4.897 -11.662 1.00 0.00 H new ATOM 783 N GLN A 54 101.061 -0.683 -8.904 1.00 0.00 N ATOM 784 CA GLN A 54 102.276 -1.516 -8.721 1.00 0.00 C ATOM 785 C GLN A 54 101.895 -2.991 -8.827 1.00 0.00 C ATOM 786 O GLN A 54 102.646 -3.810 -9.316 1.00 0.00 O ATOM 787 CB GLN A 54 102.767 -1.193 -7.311 1.00 0.00 C ATOM 788 CG GLN A 54 103.618 0.077 -7.343 1.00 0.00 C ATOM 789 CD GLN A 54 104.963 -0.195 -6.669 1.00 0.00 C ATOM 790 OE1 GLN A 54 105.529 -1.259 -6.823 1.00 0.00 O ATOM 791 NE2 GLN A 54 105.502 0.728 -5.920 1.00 0.00 N ATOM 0 H GLN A 54 100.899 0.011 -8.174 1.00 0.00 H new ATOM 0 HA GLN A 54 103.042 -1.318 -9.471 1.00 0.00 H new ATOM 0 HB2 GLN A 54 101.918 -1.057 -6.641 1.00 0.00 H new ATOM 0 HB3 GLN A 54 103.352 -2.025 -6.919 1.00 0.00 H new ATOM 0 HG2 GLN A 54 103.773 0.398 -8.373 1.00 0.00 H new ATOM 0 HG3 GLN A 54 103.100 0.888 -6.831 1.00 0.00 H new ATOM 0 HE21 GLN A 54 105.027 1.621 -5.791 1.00 0.00 H new ATOM 0 HE22 GLN A 54 106.398 0.556 -5.464 1.00 0.00 H new ATOM 800 N ALA A 55 100.721 -3.326 -8.369 1.00 0.00 N ATOM 801 CA ALA A 55 100.265 -4.743 -8.437 1.00 0.00 C ATOM 802 C ALA A 55 100.213 -5.203 -9.893 1.00 0.00 C ATOM 803 O ALA A 55 100.567 -6.320 -10.216 1.00 0.00 O ATOM 804 CB ALA A 55 98.865 -4.739 -7.823 1.00 0.00 C ATOM 0 H ALA A 55 100.055 -2.677 -7.949 1.00 0.00 H new ATOM 0 HA ALA A 55 100.935 -5.422 -7.910 1.00 0.00 H new ATOM 0 HB1 ALA A 55 98.459 -5.750 -7.836 1.00 0.00 H new ATOM 0 HB2 ALA A 55 98.920 -4.384 -6.794 1.00 0.00 H new ATOM 0 HB3 ALA A 55 98.216 -4.080 -8.400 1.00 0.00 H new ATOM 810 N LYS A 56 99.776 -4.348 -10.777 1.00 0.00 N ATOM 811 CA LYS A 56 99.707 -4.737 -12.214 1.00 0.00 C ATOM 812 C LYS A 56 101.118 -4.974 -12.757 1.00 0.00 C ATOM 813 O LYS A 56 101.356 -5.892 -13.516 1.00 0.00 O ATOM 814 CB LYS A 56 99.055 -3.548 -12.920 1.00 0.00 C ATOM 815 CG LYS A 56 97.532 -3.694 -12.866 1.00 0.00 C ATOM 816 CD LYS A 56 96.994 -3.992 -14.268 1.00 0.00 C ATOM 817 CE LYS A 56 96.706 -2.676 -14.995 1.00 0.00 C ATOM 818 NZ LYS A 56 95.223 -2.622 -15.121 1.00 0.00 N ATOM 0 H LYS A 56 99.465 -3.400 -10.567 1.00 0.00 H new ATOM 0 HA LYS A 56 99.143 -5.657 -12.368 1.00 0.00 H new ATOM 0 HB2 LYS A 56 99.359 -2.617 -12.442 1.00 0.00 H new ATOM 0 HB3 LYS A 56 99.390 -3.499 -13.956 1.00 0.00 H new ATOM 0 HG2 LYS A 56 97.258 -4.497 -12.182 1.00 0.00 H new ATOM 0 HG3 LYS A 56 97.082 -2.779 -12.480 1.00 0.00 H new ATOM 0 HD2 LYS A 56 97.720 -4.579 -14.830 1.00 0.00 H new ATOM 0 HD3 LYS A 56 96.085 -4.589 -14.201 1.00 0.00 H new ATOM 0 HE2 LYS A 56 97.086 -1.823 -14.432 1.00 0.00 H new ATOM 0 HE3 LYS A 56 97.186 -2.652 -15.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 94.948 -1.746 -15.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 94.891 -3.443 -15.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 94.793 -2.639 -14.174 1.00 0.00 H new ATOM 832 N LYS A 57 102.057 -4.153 -12.370 1.00 0.00 N ATOM 833 CA LYS A 57 103.449 -4.332 -12.859 1.00 0.00 C ATOM 834 C LYS A 57 103.960 -5.723 -12.482 1.00 0.00 C ATOM 835 O LYS A 57 104.696 -6.348 -13.219 1.00 0.00 O ATOM 836 CB LYS A 57 104.264 -3.249 -12.149 1.00 0.00 C ATOM 837 CG LYS A 57 104.829 -2.271 -13.181 1.00 0.00 C ATOM 838 CD LYS A 57 104.612 -0.835 -12.697 1.00 0.00 C ATOM 839 CE LYS A 57 105.935 -0.070 -12.755 1.00 0.00 C ATOM 840 NZ LYS A 57 105.618 1.192 -13.483 1.00 0.00 N ATOM 0 H LYS A 57 101.917 -3.366 -11.736 1.00 0.00 H new ATOM 0 HA LYS A 57 103.522 -4.247 -13.943 1.00 0.00 H new ATOM 0 HB2 LYS A 57 103.636 -2.717 -11.435 1.00 0.00 H new ATOM 0 HB3 LYS A 57 105.076 -3.704 -11.582 1.00 0.00 H new ATOM 0 HG2 LYS A 57 105.892 -2.459 -13.331 1.00 0.00 H new ATOM 0 HG3 LYS A 57 104.340 -2.419 -14.144 1.00 0.00 H new ATOM 0 HD2 LYS A 57 103.866 -0.340 -13.318 1.00 0.00 H new ATOM 0 HD3 LYS A 57 104.226 -0.838 -11.678 1.00 0.00 H new ATOM 0 HE2 LYS A 57 106.316 0.136 -11.755 1.00 0.00 H new ATOM 0 HE3 LYS A 57 106.701 -0.645 -13.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 106.478 1.772 -13.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 105.264 0.965 -14.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 104.891 1.721 -12.960 1.00 0.00 H new ATOM 854 N LEU A 58 103.573 -6.211 -11.334 1.00 0.00 N ATOM 855 CA LEU A 58 104.032 -7.557 -10.901 1.00 0.00 C ATOM 856 C LEU A 58 103.717 -8.597 -11.980 1.00 0.00 C ATOM 857 O LEU A 58 102.571 -8.868 -12.278 1.00 0.00 O ATOM 858 CB LEU A 58 103.247 -7.855 -9.624 1.00 0.00 C ATOM 859 CG LEU A 58 104.101 -7.507 -8.405 1.00 0.00 C ATOM 860 CD1 LEU A 58 103.244 -7.584 -7.141 1.00 0.00 C ATOM 861 CD2 LEU A 58 105.260 -8.500 -8.295 1.00 0.00 C ATOM 0 H LEU A 58 102.957 -5.732 -10.677 1.00 0.00 H new ATOM 0 HA LEU A 58 105.108 -7.590 -10.733 1.00 0.00 H new ATOM 0 HB2 LEU A 58 102.323 -7.278 -9.610 1.00 0.00 H new ATOM 0 HB3 LEU A 58 102.966 -8.908 -9.595 1.00 0.00 H new ATOM 0 HG LEU A 58 104.495 -6.497 -8.515 1.00 0.00 H new ATOM 0 HD11 LEU A 58 103.854 -7.336 -6.272 1.00 0.00 H new ATOM 0 HD12 LEU A 58 102.418 -6.877 -7.218 1.00 0.00 H new ATOM 0 HD13 LEU A 58 102.849 -8.594 -7.030 1.00 0.00 H new ATOM 0 HD21 LEU A 58 105.870 -8.253 -7.426 1.00 0.00 H new ATOM 0 HD22 LEU A 58 104.865 -9.510 -8.185 1.00 0.00 H new ATOM 0 HD23 LEU A 58 105.872 -8.446 -9.195 1.00 0.00 H new ATOM 873 N ASP A 59 104.724 -9.180 -12.566 1.00 0.00 N ATOM 874 CA ASP A 59 104.479 -10.202 -13.624 1.00 0.00 C ATOM 875 C ASP A 59 103.355 -11.152 -13.196 1.00 0.00 C ATOM 876 O ASP A 59 102.355 -11.290 -13.872 1.00 0.00 O ATOM 877 CB ASP A 59 105.801 -10.959 -13.754 1.00 0.00 C ATOM 878 CG ASP A 59 106.556 -10.463 -14.989 1.00 0.00 C ATOM 879 OD1 ASP A 59 105.999 -9.654 -15.713 1.00 0.00 O ATOM 880 OD2 ASP A 59 107.676 -10.901 -15.192 1.00 0.00 O ATOM 0 H ASP A 59 105.706 -8.994 -12.360 1.00 0.00 H new ATOM 0 HA ASP A 59 104.170 -9.753 -14.568 1.00 0.00 H new ATOM 0 HB2 ASP A 59 106.407 -10.810 -12.860 1.00 0.00 H new ATOM 0 HB3 ASP A 59 105.612 -12.029 -13.836 1.00 0.00 H new ATOM 885 N SER A 60 103.517 -11.811 -12.080 1.00 0.00 N ATOM 886 CA SER A 60 102.467 -12.758 -11.607 1.00 0.00 C ATOM 887 C SER A 60 101.068 -12.158 -11.789 1.00 0.00 C ATOM 888 O SER A 60 100.098 -12.868 -11.961 1.00 0.00 O ATOM 889 CB SER A 60 102.765 -12.969 -10.124 1.00 0.00 C ATOM 890 OG SER A 60 103.156 -14.318 -9.910 1.00 0.00 O ATOM 0 H SER A 60 104.334 -11.734 -11.474 1.00 0.00 H new ATOM 0 HA SER A 60 102.481 -13.692 -12.169 1.00 0.00 H new ATOM 0 HB2 SER A 60 103.557 -12.293 -9.801 1.00 0.00 H new ATOM 0 HB3 SER A 60 101.883 -12.735 -9.527 1.00 0.00 H new ATOM 0 HG SER A 60 103.350 -14.456 -8.959 1.00 0.00 H new ATOM 896 N CYS A 61 100.953 -10.859 -11.744 1.00 0.00 N ATOM 897 CA CYS A 61 99.611 -10.225 -11.905 1.00 0.00 C ATOM 898 C CYS A 61 99.343 -9.895 -13.377 1.00 0.00 C ATOM 899 O CYS A 61 98.239 -10.039 -13.862 1.00 0.00 O ATOM 900 CB CYS A 61 99.675 -8.947 -11.069 1.00 0.00 C ATOM 901 SG CYS A 61 99.787 -9.379 -9.315 1.00 0.00 S ATOM 0 H CYS A 61 101.727 -10.210 -11.603 1.00 0.00 H new ATOM 0 HA CYS A 61 98.805 -10.885 -11.583 1.00 0.00 H new ATOM 0 HB2 CYS A 61 100.538 -8.350 -11.363 1.00 0.00 H new ATOM 0 HB3 CYS A 61 98.789 -8.337 -11.249 1.00 0.00 H new ATOM 906 N LYS A 62 100.341 -9.453 -14.091 1.00 0.00 N ATOM 907 CA LYS A 62 100.135 -9.112 -15.530 1.00 0.00 C ATOM 908 C LYS A 62 99.994 -10.386 -16.366 1.00 0.00 C ATOM 909 O LYS A 62 99.746 -10.335 -17.554 1.00 0.00 O ATOM 910 CB LYS A 62 101.392 -8.344 -15.937 1.00 0.00 C ATOM 911 CG LYS A 62 101.216 -7.784 -17.351 1.00 0.00 C ATOM 912 CD LYS A 62 102.589 -7.464 -17.948 1.00 0.00 C ATOM 913 CE LYS A 62 102.521 -6.137 -18.708 1.00 0.00 C ATOM 914 NZ LYS A 62 103.554 -6.253 -19.775 1.00 0.00 N ATOM 0 H LYS A 62 101.289 -9.313 -13.743 1.00 0.00 H new ATOM 0 HA LYS A 62 99.228 -8.529 -15.688 1.00 0.00 H new ATOM 0 HB2 LYS A 62 101.578 -7.532 -15.234 1.00 0.00 H new ATOM 0 HB3 LYS A 62 102.260 -9.002 -15.901 1.00 0.00 H new ATOM 0 HG2 LYS A 62 100.695 -8.507 -17.978 1.00 0.00 H new ATOM 0 HG3 LYS A 62 100.601 -6.884 -17.323 1.00 0.00 H new ATOM 0 HD2 LYS A 62 103.336 -7.404 -17.156 1.00 0.00 H new ATOM 0 HD3 LYS A 62 102.900 -8.264 -18.620 1.00 0.00 H new ATOM 0 HE2 LYS A 62 101.530 -5.975 -19.133 1.00 0.00 H new ATOM 0 HE3 LYS A 62 102.727 -5.293 -18.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 103.569 -5.380 -20.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 104.487 -6.400 -19.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 103.328 -7.060 -20.390 1.00 0.00 H new ATOM 928 N VAL A 63 100.155 -11.530 -15.759 1.00 0.00 N ATOM 929 CA VAL A 63 100.035 -12.803 -16.524 1.00 0.00 C ATOM 930 C VAL A 63 98.705 -13.491 -16.206 1.00 0.00 C ATOM 931 O VAL A 63 98.376 -14.515 -16.772 1.00 0.00 O ATOM 932 CB VAL A 63 101.210 -13.656 -16.054 1.00 0.00 C ATOM 933 CG1 VAL A 63 102.510 -12.872 -16.227 1.00 0.00 C ATOM 934 CG2 VAL A 63 101.023 -14.015 -14.577 1.00 0.00 C ATOM 0 H VAL A 63 100.364 -11.638 -14.767 1.00 0.00 H new ATOM 0 HA VAL A 63 100.054 -12.642 -17.602 1.00 0.00 H new ATOM 0 HB VAL A 63 101.255 -14.570 -16.647 1.00 0.00 H new ATOM 0 HG11 VAL A 63 103.349 -13.481 -15.891 1.00 0.00 H new ATOM 0 HG12 VAL A 63 102.644 -12.617 -17.278 1.00 0.00 H new ATOM 0 HG13 VAL A 63 102.465 -11.958 -15.635 1.00 0.00 H new ATOM 0 HG21 VAL A 63 101.862 -14.624 -14.242 1.00 0.00 H new ATOM 0 HG22 VAL A 63 100.977 -13.102 -13.984 1.00 0.00 H new ATOM 0 HG23 VAL A 63 100.096 -14.575 -14.453 1.00 0.00 H new ATOM 944 N LEU A 64 97.934 -12.938 -15.309 1.00 0.00 N ATOM 945 CA LEU A 64 96.627 -13.564 -14.965 1.00 0.00 C ATOM 946 C LEU A 64 95.507 -12.924 -15.788 1.00 0.00 C ATOM 947 O LEU A 64 94.963 -13.531 -16.690 1.00 0.00 O ATOM 948 CB LEU A 64 96.430 -13.275 -13.477 1.00 0.00 C ATOM 949 CG LEU A 64 97.449 -14.075 -12.665 1.00 0.00 C ATOM 950 CD1 LEU A 64 97.201 -13.849 -11.172 1.00 0.00 C ATOM 951 CD2 LEU A 64 97.300 -15.563 -12.986 1.00 0.00 C ATOM 0 H LEU A 64 98.153 -12.081 -14.801 1.00 0.00 H new ATOM 0 HA LEU A 64 96.610 -14.633 -15.178 1.00 0.00 H new ATOM 0 HB2 LEU A 64 96.550 -12.209 -13.283 1.00 0.00 H new ATOM 0 HB3 LEU A 64 95.417 -13.542 -13.174 1.00 0.00 H new ATOM 0 HG LEU A 64 98.456 -13.746 -12.920 1.00 0.00 H new ATOM 0 HD11 LEU A 64 97.927 -14.419 -10.592 1.00 0.00 H new ATOM 0 HD12 LEU A 64 97.305 -12.789 -10.942 1.00 0.00 H new ATOM 0 HD13 LEU A 64 96.194 -14.178 -10.917 1.00 0.00 H new ATOM 0 HD21 LEU A 64 98.026 -16.134 -12.408 1.00 0.00 H new ATOM 0 HD22 LEU A 64 96.293 -15.891 -12.730 1.00 0.00 H new ATOM 0 HD23 LEU A 64 97.475 -15.725 -14.050 1.00 0.00 H new ATOM 963 N VAL A 65 95.163 -11.702 -15.490 1.00 0.00 N ATOM 964 CA VAL A 65 94.087 -11.026 -16.256 1.00 0.00 C ATOM 965 C VAL A 65 94.291 -9.518 -16.244 1.00 0.00 C ATOM 966 O VAL A 65 93.385 -8.748 -16.490 1.00 0.00 O ATOM 967 CB VAL A 65 92.804 -11.398 -15.533 1.00 0.00 C ATOM 968 CG1 VAL A 65 91.616 -10.689 -16.186 1.00 0.00 C ATOM 969 CG2 VAL A 65 92.598 -12.913 -15.602 1.00 0.00 C ATOM 0 H VAL A 65 95.583 -11.144 -14.747 1.00 0.00 H new ATOM 0 HA VAL A 65 94.072 -11.330 -17.303 1.00 0.00 H new ATOM 0 HB VAL A 65 92.877 -11.088 -14.490 1.00 0.00 H new ATOM 0 HG11 VAL A 65 90.699 -10.960 -15.663 1.00 0.00 H new ATOM 0 HG12 VAL A 65 91.761 -9.610 -16.130 1.00 0.00 H new ATOM 0 HG13 VAL A 65 91.541 -10.991 -17.231 1.00 0.00 H new ATOM 0 HG21 VAL A 65 91.677 -13.179 -15.083 1.00 0.00 H new ATOM 0 HG22 VAL A 65 92.530 -13.224 -16.645 1.00 0.00 H new ATOM 0 HG23 VAL A 65 93.440 -13.417 -15.128 1.00 0.00 H new ATOM 979 N ASP A 66 95.488 -9.118 -15.968 1.00 0.00 N ATOM 980 CA ASP A 66 95.841 -7.663 -15.926 1.00 0.00 C ATOM 981 C ASP A 66 94.641 -6.815 -15.487 1.00 0.00 C ATOM 982 O ASP A 66 94.157 -5.982 -16.227 1.00 0.00 O ATOM 983 CB ASP A 66 96.248 -7.310 -17.358 1.00 0.00 C ATOM 984 CG ASP A 66 95.257 -7.929 -18.346 1.00 0.00 C ATOM 985 OD1 ASP A 66 94.280 -7.273 -18.664 1.00 0.00 O ATOM 986 OD2 ASP A 66 95.495 -9.049 -18.768 1.00 0.00 O ATOM 0 H ASP A 66 96.265 -9.746 -15.763 1.00 0.00 H new ATOM 0 HA ASP A 66 96.637 -7.464 -15.209 1.00 0.00 H new ATOM 0 HB2 ASP A 66 96.272 -6.227 -17.483 1.00 0.00 H new ATOM 0 HB3 ASP A 66 97.254 -7.676 -17.561 1.00 0.00 H new ATOM 991 N ASN A 67 94.156 -7.019 -14.292 1.00 0.00 N ATOM 992 CA ASN A 67 92.990 -6.219 -13.818 1.00 0.00 C ATOM 993 C ASN A 67 92.750 -6.454 -12.323 1.00 0.00 C ATOM 994 O ASN A 67 91.971 -7.305 -11.945 1.00 0.00 O ATOM 995 CB ASN A 67 91.804 -6.729 -14.638 1.00 0.00 C ATOM 996 CG ASN A 67 90.517 -6.063 -14.145 1.00 0.00 C ATOM 997 OD1 ASN A 67 90.102 -6.274 -13.024 1.00 0.00 O ATOM 998 ND2 ASN A 67 89.865 -5.264 -14.944 1.00 0.00 N ATOM 0 H ASN A 67 94.515 -7.702 -13.625 1.00 0.00 H new ATOM 0 HA ASN A 67 93.147 -5.148 -13.945 1.00 0.00 H new ATOM 0 HB2 ASN A 67 91.958 -6.509 -15.695 1.00 0.00 H new ATOM 0 HB3 ASN A 67 91.724 -7.812 -14.546 1.00 0.00 H new ATOM 0 HD21 ASN A 67 89.005 -4.816 -14.627 1.00 0.00 H new ATOM 0 HD22 ASN A 67 90.215 -5.088 -15.886 1.00 0.00 H new ATOM 1005 N PRO A 68 93.434 -5.681 -11.523 1.00 0.00 N ATOM 1006 CA PRO A 68 93.297 -5.796 -10.050 1.00 0.00 C ATOM 1007 C PRO A 68 91.982 -5.163 -9.587 1.00 0.00 C ATOM 1008 O PRO A 68 91.962 -4.316 -8.716 1.00 0.00 O ATOM 1009 CB PRO A 68 94.490 -5.010 -9.518 1.00 0.00 C ATOM 1010 CG PRO A 68 94.831 -4.034 -10.600 1.00 0.00 C ATOM 1011 CD PRO A 68 94.391 -4.639 -11.910 1.00 0.00 C ATOM 0 HA PRO A 68 93.281 -6.828 -9.700 1.00 0.00 H new ATOM 0 HB2 PRO A 68 94.241 -4.497 -8.589 1.00 0.00 H new ATOM 0 HB3 PRO A 68 95.331 -5.669 -9.303 1.00 0.00 H new ATOM 0 HG2 PRO A 68 94.329 -3.082 -10.430 1.00 0.00 H new ATOM 0 HG3 PRO A 68 95.902 -3.832 -10.611 1.00 0.00 H new ATOM 0 HD2 PRO A 68 93.928 -3.894 -12.557 1.00 0.00 H new ATOM 0 HD3 PRO A 68 95.235 -5.057 -12.459 1.00 0.00 H new ATOM 1019 N TYR A 69 90.883 -5.566 -10.163 1.00 0.00 N ATOM 1020 CA TYR A 69 89.571 -4.985 -9.756 1.00 0.00 C ATOM 1021 C TYR A 69 88.496 -6.075 -9.729 1.00 0.00 C ATOM 1022 O TYR A 69 87.335 -5.821 -9.973 1.00 0.00 O ATOM 1023 CB TYR A 69 89.252 -3.944 -10.830 1.00 0.00 C ATOM 1024 CG TYR A 69 88.597 -2.728 -10.185 1.00 0.00 C ATOM 1025 CD1 TYR A 69 89.376 -1.810 -9.470 1.00 0.00 C ATOM 1026 CD2 TYR A 69 87.218 -2.526 -10.313 1.00 0.00 C ATOM 1027 CE1 TYR A 69 88.776 -0.691 -8.882 1.00 0.00 C ATOM 1028 CE2 TYR A 69 86.618 -1.405 -9.725 1.00 0.00 C ATOM 1029 CZ TYR A 69 87.396 -0.489 -9.010 1.00 0.00 C ATOM 1030 OH TYR A 69 86.805 0.616 -8.431 1.00 0.00 O ATOM 0 H TYR A 69 90.836 -6.272 -10.898 1.00 0.00 H new ATOM 0 HA TYR A 69 89.603 -4.547 -8.759 1.00 0.00 H new ATOM 0 HB2 TYR A 69 90.165 -3.647 -11.346 1.00 0.00 H new ATOM 0 HB3 TYR A 69 88.587 -4.373 -11.580 1.00 0.00 H new ATOM 0 HD1 TYR A 69 90.440 -1.966 -9.372 1.00 0.00 H new ATOM 0 HD2 TYR A 69 86.617 -3.234 -10.865 1.00 0.00 H new ATOM 0 HE1 TYR A 69 89.377 0.017 -8.330 1.00 0.00 H new ATOM 0 HE2 TYR A 69 85.554 -1.248 -9.824 1.00 0.00 H new ATOM 0 HH TYR A 69 86.024 0.884 -8.959 1.00 0.00 H new ATOM 1040 N THR A 70 88.879 -7.288 -9.428 1.00 0.00 N ATOM 1041 CA THR A 70 87.891 -8.399 -9.378 1.00 0.00 C ATOM 1042 C THR A 70 88.618 -9.734 -9.202 1.00 0.00 C ATOM 1043 O THR A 70 88.213 -10.749 -9.736 1.00 0.00 O ATOM 1044 CB THR A 70 87.161 -8.357 -10.724 1.00 0.00 C ATOM 1045 OG1 THR A 70 86.479 -9.587 -10.929 1.00 0.00 O ATOM 1046 CG2 THR A 70 88.171 -8.139 -11.851 1.00 0.00 C ATOM 0 H THR A 70 89.840 -7.556 -9.214 1.00 0.00 H new ATOM 0 HA THR A 70 87.197 -8.296 -8.543 1.00 0.00 H new ATOM 0 HB THR A 70 86.443 -7.537 -10.721 1.00 0.00 H new ATOM 0 HG1 THR A 70 87.132 -10.309 -11.039 1.00 0.00 H new ATOM 0 HG21 THR A 70 87.649 -8.110 -12.807 1.00 0.00 H new ATOM 0 HG22 THR A 70 88.693 -7.195 -11.694 1.00 0.00 H new ATOM 0 HG23 THR A 70 88.892 -8.956 -11.857 1.00 0.00 H new ATOM 1054 N ASN A 71 89.691 -9.740 -8.459 1.00 0.00 N ATOM 1055 CA ASN A 71 90.447 -11.007 -8.250 1.00 0.00 C ATOM 1056 C ASN A 71 89.766 -11.861 -7.178 1.00 0.00 C ATOM 1057 O ASN A 71 89.009 -11.370 -6.365 1.00 0.00 O ATOM 1058 CB ASN A 71 91.834 -10.564 -7.782 1.00 0.00 C ATOM 1059 CG ASN A 71 92.724 -11.792 -7.585 1.00 0.00 C ATOM 1060 OD1 ASN A 71 92.999 -12.196 -6.375 1.00 0.00 O flip ATOM 1061 ND2 ASN A 71 93.175 -12.388 -8.542 1.00 0.00 N flip ATOM 0 H ASN A 71 90.077 -8.922 -7.988 1.00 0.00 H new ATOM 0 HA ASN A 71 90.494 -11.614 -9.154 1.00 0.00 H new ATOM 0 HB2 ASN A 71 92.280 -9.893 -8.516 1.00 0.00 H new ATOM 0 HB3 ASN A 71 91.753 -10.007 -6.849 1.00 0.00 H new ATOM 0 HD21 ASN A 71 92.960 -12.072 -9.488 1.00 0.00 H new ATOM 0 HD22 ASN A 71 93.769 -13.205 -8.400 1.00 0.00 H new ATOM 1068 N ASN A 72 90.030 -13.139 -7.171 1.00 0.00 N ATOM 1069 CA ASN A 72 89.399 -14.028 -6.153 1.00 0.00 C ATOM 1070 C ASN A 72 89.518 -13.410 -4.757 1.00 0.00 C ATOM 1071 O ASN A 72 88.531 -13.140 -4.102 1.00 0.00 O ATOM 1072 CB ASN A 72 90.186 -15.336 -6.229 1.00 0.00 C ATOM 1073 CG ASN A 72 89.228 -16.491 -6.520 1.00 0.00 C ATOM 1074 OD1 ASN A 72 89.249 -17.058 -7.595 1.00 0.00 O ATOM 1075 ND2 ASN A 72 88.380 -16.867 -5.602 1.00 0.00 N ATOM 0 H ASN A 72 90.656 -13.607 -7.827 1.00 0.00 H new ATOM 0 HA ASN A 72 88.336 -14.179 -6.341 1.00 0.00 H new ATOM 0 HB2 ASN A 72 90.944 -15.272 -7.010 1.00 0.00 H new ATOM 0 HB3 ASN A 72 90.711 -15.512 -5.290 1.00 0.00 H new ATOM 0 HD21 ASN A 72 87.736 -17.636 -5.787 1.00 0.00 H new ATOM 0 HD22 ASN A 72 88.361 -16.392 -4.700 1.00 0.00 H new ATOM 1082 N TYR A 73 90.718 -13.185 -4.297 1.00 0.00 N ATOM 1083 CA TYR A 73 90.896 -12.587 -2.943 1.00 0.00 C ATOM 1084 C TYR A 73 90.381 -13.547 -1.867 1.00 0.00 C ATOM 1085 O TYR A 73 89.231 -13.940 -1.871 1.00 0.00 O ATOM 1086 CB TYR A 73 90.060 -11.307 -2.961 1.00 0.00 C ATOM 1087 CG TYR A 73 90.774 -10.227 -2.184 1.00 0.00 C ATOM 1088 CD1 TYR A 73 91.611 -10.569 -1.114 1.00 0.00 C ATOM 1089 CD2 TYR A 73 90.599 -8.884 -2.533 1.00 0.00 C ATOM 1090 CE1 TYR A 73 92.275 -9.567 -0.397 1.00 0.00 C ATOM 1091 CE2 TYR A 73 91.262 -7.881 -1.816 1.00 0.00 C ATOM 1092 CZ TYR A 73 92.100 -8.223 -0.747 1.00 0.00 C ATOM 1093 OH TYR A 73 92.755 -7.235 -0.040 1.00 0.00 O ATOM 0 H TYR A 73 91.582 -13.389 -4.799 1.00 0.00 H new ATOM 0 HA TYR A 73 91.943 -12.388 -2.716 1.00 0.00 H new ATOM 0 HB2 TYR A 73 89.896 -10.982 -3.988 1.00 0.00 H new ATOM 0 HB3 TYR A 73 89.079 -11.495 -2.525 1.00 0.00 H new ATOM 0 HD1 TYR A 73 91.744 -11.606 -0.842 1.00 0.00 H new ATOM 0 HD2 TYR A 73 89.952 -8.620 -3.356 1.00 0.00 H new ATOM 0 HE1 TYR A 73 92.922 -9.831 0.426 1.00 0.00 H new ATOM 0 HE2 TYR A 73 91.127 -6.844 -2.087 1.00 0.00 H new ATOM 0 HH TYR A 73 92.424 -7.218 0.882 1.00 0.00 H new ATOM 1103 N SER A 74 91.223 -13.925 -0.945 1.00 0.00 N ATOM 1104 CA SER A 74 90.782 -14.856 0.133 1.00 0.00 C ATOM 1105 C SER A 74 91.507 -14.527 1.439 1.00 0.00 C ATOM 1106 O SER A 74 92.685 -14.787 1.588 1.00 0.00 O ATOM 1107 CB SER A 74 91.173 -16.248 -0.361 1.00 0.00 C ATOM 1108 OG SER A 74 91.387 -17.099 0.757 1.00 0.00 O ATOM 0 H SER A 74 92.198 -13.630 -0.891 1.00 0.00 H new ATOM 0 HA SER A 74 89.713 -14.781 0.334 1.00 0.00 H new ATOM 0 HB2 SER A 74 90.387 -16.655 -0.997 1.00 0.00 H new ATOM 0 HB3 SER A 74 92.077 -16.191 -0.968 1.00 0.00 H new ATOM 0 HG SER A 74 91.637 -17.994 0.444 1.00 0.00 H new ATOM 1114 N TYR A 75 90.815 -13.955 2.386 1.00 0.00 N ATOM 1115 CA TYR A 75 91.468 -13.607 3.680 1.00 0.00 C ATOM 1116 C TYR A 75 90.453 -13.681 4.826 1.00 0.00 C ATOM 1117 O TYR A 75 89.285 -13.943 4.617 1.00 0.00 O ATOM 1118 CB TYR A 75 91.966 -12.172 3.494 1.00 0.00 C ATOM 1119 CG TYR A 75 90.785 -11.212 3.562 1.00 0.00 C ATOM 1120 CD1 TYR A 75 90.361 -10.713 4.799 1.00 0.00 C ATOM 1121 CD2 TYR A 75 90.122 -10.830 2.389 1.00 0.00 C ATOM 1122 CE1 TYR A 75 89.276 -9.832 4.864 1.00 0.00 C ATOM 1123 CE2 TYR A 75 89.037 -9.949 2.454 1.00 0.00 C ATOM 1124 CZ TYR A 75 88.613 -9.451 3.692 1.00 0.00 C ATOM 1125 OH TYR A 75 87.543 -8.583 3.758 1.00 0.00 O ATOM 0 H TYR A 75 89.826 -13.714 2.320 1.00 0.00 H new ATOM 0 HA TYR A 75 92.277 -14.292 3.933 1.00 0.00 H new ATOM 0 HB2 TYR A 75 92.694 -11.925 4.267 1.00 0.00 H new ATOM 0 HB3 TYR A 75 92.474 -12.073 2.535 1.00 0.00 H new ATOM 0 HD1 TYR A 75 90.872 -11.008 5.704 1.00 0.00 H new ATOM 0 HD2 TYR A 75 90.448 -11.215 1.434 1.00 0.00 H new ATOM 0 HE1 TYR A 75 88.950 -9.446 5.819 1.00 0.00 H new ATOM 0 HE2 TYR A 75 88.527 -9.653 1.549 1.00 0.00 H new ATOM 0 HH TYR A 75 87.712 -7.811 3.179 1.00 0.00 H new ATOM 1135 N SER A 76 90.891 -13.448 6.033 1.00 0.00 N ATOM 1136 CA SER A 76 89.955 -13.499 7.192 1.00 0.00 C ATOM 1137 C SER A 76 90.279 -12.372 8.176 1.00 0.00 C ATOM 1138 O SER A 76 91.131 -11.545 7.924 1.00 0.00 O ATOM 1139 CB SER A 76 90.193 -14.864 7.837 1.00 0.00 C ATOM 1140 OG SER A 76 88.978 -15.331 8.410 1.00 0.00 O ATOM 0 H SER A 76 91.858 -13.224 6.267 1.00 0.00 H new ATOM 0 HA SER A 76 88.915 -13.371 6.892 1.00 0.00 H new ATOM 0 HB2 SER A 76 90.553 -15.573 7.092 1.00 0.00 H new ATOM 0 HB3 SER A 76 90.964 -14.787 8.603 1.00 0.00 H new ATOM 0 HG SER A 76 89.127 -16.207 8.823 1.00 0.00 H new ATOM 1146 N CYS A 77 89.611 -12.331 9.297 1.00 0.00 N ATOM 1147 CA CYS A 77 89.893 -11.253 10.289 1.00 0.00 C ATOM 1148 C CYS A 77 89.997 -11.840 11.693 1.00 0.00 C ATOM 1149 O CYS A 77 89.620 -12.967 11.944 1.00 0.00 O ATOM 1150 CB CYS A 77 88.705 -10.297 10.195 1.00 0.00 C ATOM 1151 SG CYS A 77 88.791 -9.047 11.502 1.00 0.00 S ATOM 0 H CYS A 77 88.885 -12.994 9.569 1.00 0.00 H new ATOM 0 HA CYS A 77 90.837 -10.747 10.085 1.00 0.00 H new ATOM 0 HB2 CYS A 77 88.698 -9.811 9.219 1.00 0.00 H new ATOM 0 HB3 CYS A 77 87.773 -10.856 10.279 1.00 0.00 H new ATOM 1156 N SER A 78 90.511 -11.075 12.605 1.00 0.00 N ATOM 1157 CA SER A 78 90.655 -11.565 14.010 1.00 0.00 C ATOM 1158 C SER A 78 91.519 -10.597 14.826 1.00 0.00 C ATOM 1159 O SER A 78 92.413 -9.959 14.304 1.00 0.00 O ATOM 1160 CB SER A 78 91.344 -12.927 13.889 1.00 0.00 C ATOM 1161 OG SER A 78 92.436 -12.988 14.798 1.00 0.00 O ATOM 0 H SER A 78 90.842 -10.124 12.444 1.00 0.00 H new ATOM 0 HA SER A 78 89.694 -11.638 14.520 1.00 0.00 H new ATOM 0 HB2 SER A 78 90.634 -13.726 14.103 1.00 0.00 H new ATOM 0 HB3 SER A 78 91.697 -13.079 12.869 1.00 0.00 H new ATOM 0 HG SER A 78 92.876 -13.860 14.722 1.00 0.00 H new ATOM 1167 N ASN A 79 91.259 -10.489 16.102 1.00 0.00 N ATOM 1168 CA ASN A 79 92.061 -9.565 16.957 1.00 0.00 C ATOM 1169 C ASN A 79 92.332 -8.253 16.216 1.00 0.00 C ATOM 1170 O ASN A 79 93.463 -7.839 16.058 1.00 0.00 O ATOM 1171 CB ASN A 79 93.370 -10.311 17.228 1.00 0.00 C ATOM 1172 CG ASN A 79 93.187 -11.249 18.422 1.00 0.00 C ATOM 1173 OD1 ASN A 79 92.337 -11.025 19.261 1.00 0.00 O ATOM 1174 ND2 ASN A 79 93.954 -12.299 18.534 1.00 0.00 N ATOM 0 H ASN A 79 90.525 -11.002 16.590 1.00 0.00 H new ATOM 0 HA ASN A 79 91.542 -9.304 17.879 1.00 0.00 H new ATOM 0 HB2 ASN A 79 93.665 -10.881 16.347 1.00 0.00 H new ATOM 0 HB3 ASN A 79 94.171 -9.600 17.431 1.00 0.00 H new ATOM 0 HD21 ASN A 79 93.840 -12.932 19.326 1.00 0.00 H new ATOM 0 HD22 ASN A 79 94.667 -12.487 17.830 1.00 0.00 H new ATOM 1181 N ASN A 80 91.298 -7.600 15.758 1.00 0.00 N ATOM 1182 CA ASN A 80 91.479 -6.326 15.027 1.00 0.00 C ATOM 1183 C ASN A 80 92.639 -6.462 14.054 1.00 0.00 C ATOM 1184 O ASN A 80 93.413 -5.551 13.839 1.00 0.00 O ATOM 1185 CB ASN A 80 91.762 -5.280 16.101 1.00 0.00 C ATOM 1186 CG ASN A 80 90.858 -5.502 17.285 1.00 0.00 C ATOM 1187 OD1 ASN A 80 89.725 -6.072 17.095 1.00 0.00 O flip ATOM 1188 ND2 ASN A 80 91.188 -5.150 18.400 1.00 0.00 N flip ATOM 0 H ASN A 80 90.330 -7.902 15.863 1.00 0.00 H new ATOM 0 HA ASN A 80 90.606 -6.046 14.438 1.00 0.00 H new ATOM 0 HB2 ASN A 80 92.805 -5.339 16.413 1.00 0.00 H new ATOM 0 HB3 ASN A 80 91.607 -4.280 15.697 1.00 0.00 H new ATOM 0 HD21 ASN A 80 92.090 -4.697 18.546 1.00 0.00 H new ATOM 0 HD22 ASN A 80 90.563 -5.307 19.190 1.00 0.00 H new ATOM 1195 N GLU A 81 92.746 -7.611 13.461 1.00 0.00 N ATOM 1196 CA GLU A 81 93.831 -7.860 12.485 1.00 0.00 C ATOM 1197 C GLU A 81 93.308 -8.654 11.295 1.00 0.00 C ATOM 1198 O GLU A 81 92.357 -9.402 11.399 1.00 0.00 O ATOM 1199 CB GLU A 81 94.883 -8.663 13.238 1.00 0.00 C ATOM 1200 CG GLU A 81 95.639 -7.731 14.174 1.00 0.00 C ATOM 1201 CD GLU A 81 97.145 -7.924 13.984 1.00 0.00 C ATOM 1202 OE1 GLU A 81 97.524 -8.930 13.404 1.00 0.00 O ATOM 1203 OE2 GLU A 81 97.893 -7.065 14.420 1.00 0.00 O ATOM 0 H GLU A 81 92.118 -8.400 13.614 1.00 0.00 H new ATOM 0 HA GLU A 81 94.238 -6.929 12.091 1.00 0.00 H new ATOM 0 HB2 GLU A 81 94.410 -9.465 13.805 1.00 0.00 H new ATOM 0 HB3 GLU A 81 95.572 -9.133 12.536 1.00 0.00 H new ATOM 0 HG2 GLU A 81 95.366 -6.695 13.971 1.00 0.00 H new ATOM 0 HG3 GLU A 81 95.363 -7.936 15.208 1.00 0.00 H new ATOM 1210 N ILE A 82 93.927 -8.498 10.164 1.00 0.00 N ATOM 1211 CA ILE A 82 93.469 -9.240 8.955 1.00 0.00 C ATOM 1212 C ILE A 82 94.217 -10.569 8.824 1.00 0.00 C ATOM 1213 O ILE A 82 95.338 -10.714 9.270 1.00 0.00 O ATOM 1214 CB ILE A 82 93.784 -8.318 7.778 1.00 0.00 C ATOM 1215 CG1 ILE A 82 92.769 -7.173 7.752 1.00 0.00 C ATOM 1216 CG2 ILE A 82 93.692 -9.106 6.471 1.00 0.00 C ATOM 1217 CD1 ILE A 82 93.500 -5.841 7.572 1.00 0.00 C ATOM 0 H ILE A 82 94.732 -7.889 10.020 1.00 0.00 H new ATOM 0 HA ILE A 82 92.408 -9.487 9.002 1.00 0.00 H new ATOM 0 HB ILE A 82 94.791 -7.916 7.888 1.00 0.00 H new ATOM 0 HG12 ILE A 82 92.059 -7.322 6.939 1.00 0.00 H new ATOM 0 HG13 ILE A 82 92.195 -7.162 8.679 1.00 0.00 H new ATOM 0 HG21 ILE A 82 93.917 -8.447 5.632 1.00 0.00 H new ATOM 0 HG22 ILE A 82 94.409 -9.927 6.490 1.00 0.00 H new ATOM 0 HG23 ILE A 82 92.685 -9.506 6.358 1.00 0.00 H new ATOM 0 HD11 ILE A 82 92.775 -5.028 7.554 1.00 0.00 H new ATOM 0 HD12 ILE A 82 94.193 -5.691 8.400 1.00 0.00 H new ATOM 0 HD13 ILE A 82 94.054 -5.854 6.633 1.00 0.00 H new ATOM 1229 N THR A 83 93.594 -11.540 8.217 1.00 0.00 N ATOM 1230 CA THR A 83 94.246 -12.871 8.054 1.00 0.00 C ATOM 1231 C THR A 83 94.210 -13.299 6.581 1.00 0.00 C ATOM 1232 O THR A 83 93.264 -13.911 6.128 1.00 0.00 O ATOM 1233 CB THR A 83 93.407 -13.812 8.932 1.00 0.00 C ATOM 1234 OG1 THR A 83 93.955 -13.841 10.243 1.00 0.00 O ATOM 1235 CG2 THR A 83 93.400 -15.230 8.352 1.00 0.00 C ATOM 0 H THR A 83 92.655 -11.469 7.824 1.00 0.00 H new ATOM 0 HA THR A 83 95.296 -12.872 8.345 1.00 0.00 H new ATOM 0 HB THR A 83 92.382 -13.443 8.963 1.00 0.00 H new ATOM 0 HG1 THR A 83 93.422 -14.439 10.807 1.00 0.00 H new ATOM 0 HG21 THR A 83 92.800 -15.881 8.989 1.00 0.00 H new ATOM 0 HG22 THR A 83 92.974 -15.211 7.349 1.00 0.00 H new ATOM 0 HG23 THR A 83 94.421 -15.609 8.305 1.00 0.00 H new ATOM 1243 N CYS A 84 95.230 -12.989 5.831 1.00 0.00 N ATOM 1244 CA CYS A 84 95.241 -13.387 4.394 1.00 0.00 C ATOM 1245 C CYS A 84 95.919 -14.751 4.229 1.00 0.00 C ATOM 1246 O CYS A 84 97.018 -14.970 4.699 1.00 0.00 O ATOM 1247 CB CYS A 84 96.045 -12.297 3.682 1.00 0.00 C ATOM 1248 SG CYS A 84 94.921 -11.253 2.720 1.00 0.00 S ATOM 0 H CYS A 84 96.054 -12.479 6.148 1.00 0.00 H new ATOM 0 HA CYS A 84 94.235 -13.480 3.985 1.00 0.00 H new ATOM 0 HB2 CYS A 84 96.585 -11.693 4.411 1.00 0.00 H new ATOM 0 HB3 CYS A 84 96.790 -12.748 3.027 1.00 0.00 H new ATOM 1253 N SER A 85 95.274 -15.670 3.561 1.00 0.00 N ATOM 1254 CA SER A 85 95.884 -17.018 3.367 1.00 0.00 C ATOM 1255 C SER A 85 97.267 -16.884 2.724 1.00 0.00 C ATOM 1256 O SER A 85 97.406 -16.380 1.628 1.00 0.00 O ATOM 1257 CB SER A 85 94.928 -17.753 2.429 1.00 0.00 C ATOM 1258 OG SER A 85 95.493 -19.009 2.071 1.00 0.00 O ATOM 0 H SER A 85 94.352 -15.546 3.142 1.00 0.00 H new ATOM 0 HA SER A 85 96.021 -17.549 4.309 1.00 0.00 H new ATOM 0 HB2 SER A 85 93.964 -17.901 2.916 1.00 0.00 H new ATOM 0 HB3 SER A 85 94.746 -17.155 1.536 1.00 0.00 H new ATOM 0 HG SER A 85 94.881 -19.484 1.470 1.00 0.00 H new ATOM 1264 N SER A 86 98.292 -17.330 3.399 1.00 0.00 N ATOM 1265 CA SER A 86 99.664 -17.224 2.823 1.00 0.00 C ATOM 1266 C SER A 86 99.707 -17.861 1.433 1.00 0.00 C ATOM 1267 O SER A 86 100.552 -17.544 0.620 1.00 0.00 O ATOM 1268 CB SER A 86 100.562 -17.991 3.794 1.00 0.00 C ATOM 1269 OG SER A 86 100.583 -19.364 3.427 1.00 0.00 O ATOM 0 H SER A 86 98.239 -17.762 4.322 1.00 0.00 H new ATOM 0 HA SER A 86 99.983 -16.188 2.705 1.00 0.00 H new ATOM 0 HB2 SER A 86 101.572 -17.582 3.774 1.00 0.00 H new ATOM 0 HB3 SER A 86 100.193 -17.881 4.814 1.00 0.00 H new ATOM 0 HG SER A 86 101.159 -19.859 4.046 1.00 0.00 H new ATOM 1275 N GLU A 87 98.798 -18.754 1.151 1.00 0.00 N ATOM 1276 CA GLU A 87 98.787 -19.405 -0.190 1.00 0.00 C ATOM 1277 C GLU A 87 98.757 -18.337 -1.282 1.00 0.00 C ATOM 1278 O GLU A 87 99.203 -18.552 -2.392 1.00 0.00 O ATOM 1279 CB GLU A 87 97.501 -20.231 -0.216 1.00 0.00 C ATOM 1280 CG GLU A 87 97.745 -21.581 0.458 1.00 0.00 C ATOM 1281 CD GLU A 87 96.563 -22.511 0.181 1.00 0.00 C ATOM 1282 OE1 GLU A 87 95.953 -22.366 -0.865 1.00 0.00 O ATOM 1283 OE2 GLU A 87 96.287 -23.351 1.020 1.00 0.00 O ATOM 0 H GLU A 87 98.064 -19.061 1.790 1.00 0.00 H new ATOM 0 HA GLU A 87 99.670 -20.021 -0.363 1.00 0.00 H new ATOM 0 HB2 GLU A 87 96.703 -19.696 0.298 1.00 0.00 H new ATOM 0 HB3 GLU A 87 97.174 -20.381 -1.245 1.00 0.00 H new ATOM 0 HG2 GLU A 87 98.667 -22.025 0.083 1.00 0.00 H new ATOM 0 HG3 GLU A 87 97.871 -21.446 1.532 1.00 0.00 H new ATOM 1290 N ASN A 88 98.231 -17.185 -0.973 1.00 0.00 N ATOM 1291 CA ASN A 88 98.164 -16.095 -1.983 1.00 0.00 C ATOM 1292 C ASN A 88 99.531 -15.897 -2.643 1.00 0.00 C ATOM 1293 O ASN A 88 100.529 -15.700 -1.978 1.00 0.00 O ATOM 1294 CB ASN A 88 97.761 -14.850 -1.194 1.00 0.00 C ATOM 1295 CG ASN A 88 96.413 -15.091 -0.512 1.00 0.00 C ATOM 1296 OD1 ASN A 88 95.684 -15.989 -0.883 1.00 0.00 O ATOM 1297 ND2 ASN A 88 96.049 -14.322 0.478 1.00 0.00 N ATOM 0 H ASN A 88 97.843 -16.951 -0.059 1.00 0.00 H new ATOM 0 HA ASN A 88 97.458 -16.316 -2.783 1.00 0.00 H new ATOM 0 HB2 ASN A 88 98.521 -14.617 -0.448 1.00 0.00 H new ATOM 0 HB3 ASN A 88 97.695 -13.990 -1.860 1.00 0.00 H new ATOM 0 HD21 ASN A 88 95.153 -14.475 0.940 1.00 0.00 H new ATOM 0 HD22 ASN A 88 96.661 -13.568 0.790 1.00 0.00 H new ATOM 1304 N ASN A 89 99.586 -15.947 -3.946 1.00 0.00 N ATOM 1305 CA ASN A 89 100.893 -15.761 -4.641 1.00 0.00 C ATOM 1306 C ASN A 89 101.273 -14.278 -4.672 1.00 0.00 C ATOM 1307 O ASN A 89 100.565 -13.433 -4.162 1.00 0.00 O ATOM 1308 CB ASN A 89 100.680 -16.292 -6.060 1.00 0.00 C ATOM 1309 CG ASN A 89 99.416 -15.673 -6.660 1.00 0.00 C ATOM 1310 OD1 ASN A 89 98.321 -15.940 -6.207 1.00 0.00 O ATOM 1311 ND2 ASN A 89 99.521 -14.853 -7.670 1.00 0.00 N ATOM 0 H ASN A 89 98.786 -16.108 -4.558 1.00 0.00 H new ATOM 0 HA ASN A 89 101.702 -16.285 -4.133 1.00 0.00 H new ATOM 0 HB2 ASN A 89 101.543 -16.053 -6.681 1.00 0.00 H new ATOM 0 HB3 ASN A 89 100.591 -17.378 -6.042 1.00 0.00 H new ATOM 0 HD21 ASN A 89 98.684 -14.437 -8.078 1.00 0.00 H new ATOM 0 HD22 ASN A 89 100.440 -14.628 -8.051 1.00 0.00 H new ATOM 1318 N ALA A 90 102.393 -13.960 -5.262 1.00 0.00 N ATOM 1319 CA ALA A 90 102.835 -12.538 -5.324 1.00 0.00 C ATOM 1320 C ALA A 90 101.661 -11.611 -5.660 1.00 0.00 C ATOM 1321 O ALA A 90 101.672 -10.441 -5.332 1.00 0.00 O ATOM 1322 CB ALA A 90 103.879 -12.500 -6.440 1.00 0.00 C ATOM 0 H ALA A 90 103.024 -14.627 -5.706 1.00 0.00 H new ATOM 0 HA ALA A 90 103.234 -12.196 -4.369 1.00 0.00 H new ATOM 0 HB1 ALA A 90 104.256 -11.483 -6.551 1.00 0.00 H new ATOM 0 HB2 ALA A 90 104.703 -13.168 -6.190 1.00 0.00 H new ATOM 0 HB3 ALA A 90 103.423 -12.822 -7.376 1.00 0.00 H new ATOM 1328 N CYS A 91 100.652 -12.116 -6.315 1.00 0.00 N ATOM 1329 CA CYS A 91 99.491 -11.250 -6.673 1.00 0.00 C ATOM 1330 C CYS A 91 98.475 -11.210 -5.527 1.00 0.00 C ATOM 1331 O CYS A 91 98.210 -10.169 -4.959 1.00 0.00 O ATOM 1332 CB CYS A 91 98.876 -11.902 -7.911 1.00 0.00 C ATOM 1333 SG CYS A 91 98.220 -10.618 -9.009 1.00 0.00 S ATOM 0 H CYS A 91 100.580 -13.087 -6.617 1.00 0.00 H new ATOM 0 HA CYS A 91 99.793 -10.219 -6.860 1.00 0.00 H new ATOM 0 HB2 CYS A 91 99.627 -12.494 -8.434 1.00 0.00 H new ATOM 0 HB3 CYS A 91 98.080 -12.586 -7.617 1.00 0.00 H new ATOM 1338 N GLU A 92 97.903 -12.332 -5.183 1.00 0.00 N ATOM 1339 CA GLU A 92 96.905 -12.348 -4.075 1.00 0.00 C ATOM 1340 C GLU A 92 97.531 -11.790 -2.796 1.00 0.00 C ATOM 1341 O GLU A 92 96.853 -11.251 -1.945 1.00 0.00 O ATOM 1342 CB GLU A 92 96.533 -13.820 -3.893 1.00 0.00 C ATOM 1343 CG GLU A 92 95.495 -14.218 -4.945 1.00 0.00 C ATOM 1344 CD GLU A 92 94.103 -14.233 -4.311 1.00 0.00 C ATOM 1345 OE1 GLU A 92 93.942 -13.624 -3.267 1.00 0.00 O ATOM 1346 OE2 GLU A 92 93.220 -14.855 -4.881 1.00 0.00 O ATOM 0 H GLU A 92 98.083 -13.236 -5.620 1.00 0.00 H new ATOM 0 HA GLU A 92 96.032 -11.734 -4.297 1.00 0.00 H new ATOM 0 HB2 GLU A 92 97.421 -14.445 -3.988 1.00 0.00 H new ATOM 0 HB3 GLU A 92 96.134 -13.984 -2.892 1.00 0.00 H new ATOM 0 HG2 GLU A 92 95.519 -13.516 -5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 92 95.732 -15.202 -5.350 1.00 0.00 H new ATOM 1353 N ALA A 93 98.822 -11.909 -2.660 1.00 0.00 N ATOM 1354 CA ALA A 93 99.492 -11.379 -1.438 1.00 0.00 C ATOM 1355 C ALA A 93 99.734 -9.875 -1.585 1.00 0.00 C ATOM 1356 O ALA A 93 99.407 -9.096 -0.712 1.00 0.00 O ATOM 1357 CB ALA A 93 100.821 -12.130 -1.349 1.00 0.00 C ATOM 0 H ALA A 93 99.442 -12.349 -3.340 1.00 0.00 H new ATOM 0 HA ALA A 93 98.888 -11.521 -0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 93 101.372 -11.792 -0.471 1.00 0.00 H new ATOM 0 HB2 ALA A 93 100.630 -13.200 -1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 93 101.410 -11.934 -2.245 1.00 0.00 H new ATOM 1363 N PHE A 94 100.296 -9.458 -2.687 1.00 0.00 N ATOM 1364 CA PHE A 94 100.546 -8.003 -2.887 1.00 0.00 C ATOM 1365 C PHE A 94 99.220 -7.244 -2.862 1.00 0.00 C ATOM 1366 O PHE A 94 99.108 -6.184 -2.278 1.00 0.00 O ATOM 1367 CB PHE A 94 101.203 -7.898 -4.262 1.00 0.00 C ATOM 1368 CG PHE A 94 101.646 -6.474 -4.499 1.00 0.00 C ATOM 1369 CD1 PHE A 94 100.757 -5.548 -5.060 1.00 0.00 C ATOM 1370 CD2 PHE A 94 102.944 -6.078 -4.156 1.00 0.00 C ATOM 1371 CE1 PHE A 94 101.168 -4.227 -5.278 1.00 0.00 C ATOM 1372 CE2 PHE A 94 103.355 -4.758 -4.374 1.00 0.00 C ATOM 1373 CZ PHE A 94 102.466 -3.832 -4.935 1.00 0.00 C ATOM 0 H PHE A 94 100.592 -10.060 -3.455 1.00 0.00 H new ATOM 0 HA PHE A 94 101.176 -7.575 -2.107 1.00 0.00 H new ATOM 0 HB2 PHE A 94 102.058 -8.571 -4.321 1.00 0.00 H new ATOM 0 HB3 PHE A 94 100.501 -8.206 -5.037 1.00 0.00 H new ATOM 0 HD1 PHE A 94 99.755 -5.853 -5.324 1.00 0.00 H new ATOM 0 HD2 PHE A 94 103.629 -6.792 -3.723 1.00 0.00 H new ATOM 0 HE1 PHE A 94 100.483 -3.513 -5.711 1.00 0.00 H new ATOM 0 HE2 PHE A 94 104.357 -4.453 -4.110 1.00 0.00 H new ATOM 0 HZ PHE A 94 102.782 -2.813 -5.103 1.00 0.00 H new ATOM 1383 N ILE A 95 98.208 -7.784 -3.488 1.00 0.00 N ATOM 1384 CA ILE A 95 96.885 -7.100 -3.495 1.00 0.00 C ATOM 1385 C ILE A 95 96.329 -7.038 -2.069 1.00 0.00 C ATOM 1386 O ILE A 95 95.789 -6.035 -1.645 1.00 0.00 O ATOM 1387 CB ILE A 95 95.994 -7.965 -4.390 1.00 0.00 C ATOM 1388 CG1 ILE A 95 96.321 -7.678 -5.859 1.00 0.00 C ATOM 1389 CG2 ILE A 95 94.521 -7.643 -4.122 1.00 0.00 C ATOM 1390 CD1 ILE A 95 95.757 -6.311 -6.256 1.00 0.00 C ATOM 0 H ILE A 95 98.242 -8.669 -3.994 1.00 0.00 H new ATOM 0 HA ILE A 95 96.944 -6.075 -3.861 1.00 0.00 H new ATOM 0 HB ILE A 95 96.176 -9.017 -4.172 1.00 0.00 H new ATOM 0 HG12 ILE A 95 97.400 -7.695 -6.011 1.00 0.00 H new ATOM 0 HG13 ILE A 95 95.897 -8.456 -6.495 1.00 0.00 H new ATOM 0 HG21 ILE A 95 93.891 -8.261 -4.762 1.00 0.00 H new ATOM 0 HG22 ILE A 95 94.288 -7.847 -3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 95 94.334 -6.591 -4.337 1.00 0.00 H new ATOM 0 HD11 ILE A 95 95.992 -6.110 -7.301 1.00 0.00 H new ATOM 0 HD12 ILE A 95 94.676 -6.310 -6.120 1.00 0.00 H new ATOM 0 HD13 ILE A 95 96.202 -5.538 -5.629 1.00 0.00 H new ATOM 1402 N CYS A 96 96.467 -8.100 -1.323 1.00 0.00 N ATOM 1403 CA CYS A 96 95.956 -8.099 0.077 1.00 0.00 C ATOM 1404 C CYS A 96 96.744 -7.089 0.914 1.00 0.00 C ATOM 1405 O CYS A 96 96.279 -6.608 1.928 1.00 0.00 O ATOM 1406 CB CYS A 96 96.192 -9.522 0.588 1.00 0.00 C ATOM 1407 SG CYS A 96 95.980 -9.565 2.387 1.00 0.00 S ATOM 0 H CYS A 96 96.911 -8.968 -1.622 1.00 0.00 H new ATOM 0 HA CYS A 96 94.905 -7.818 0.138 1.00 0.00 H new ATOM 0 HB2 CYS A 96 95.493 -10.210 0.113 1.00 0.00 H new ATOM 0 HB3 CYS A 96 97.196 -9.853 0.322 1.00 0.00 H new ATOM 1412 N ASN A 97 97.935 -6.760 0.491 1.00 0.00 N ATOM 1413 CA ASN A 97 98.754 -5.778 1.256 1.00 0.00 C ATOM 1414 C ASN A 97 98.225 -4.361 1.019 1.00 0.00 C ATOM 1415 O ASN A 97 98.306 -3.506 1.878 1.00 0.00 O ATOM 1416 CB ASN A 97 100.171 -5.923 0.694 1.00 0.00 C ATOM 1417 CG ASN A 97 100.855 -7.128 1.332 1.00 0.00 C ATOM 1418 OD1 ASN A 97 100.297 -7.775 2.196 1.00 0.00 O ATOM 1419 ND2 ASN A 97 102.052 -7.458 0.939 1.00 0.00 N ATOM 0 H ASN A 97 98.376 -7.129 -0.352 1.00 0.00 H new ATOM 0 HA ASN A 97 98.723 -5.956 2.331 1.00 0.00 H new ATOM 0 HB2 ASN A 97 100.133 -6.045 -0.388 1.00 0.00 H new ATOM 0 HB3 ASN A 97 100.746 -5.019 0.893 1.00 0.00 H new ATOM 0 HD21 ASN A 97 102.523 -8.261 1.357 1.00 0.00 H new ATOM 0 HD22 ASN A 97 102.519 -6.914 0.214 1.00 0.00 H new ATOM 1426 N CYS A 98 97.682 -4.109 -0.141 1.00 0.00 N ATOM 1427 CA CYS A 98 97.145 -2.749 -0.432 1.00 0.00 C ATOM 1428 C CYS A 98 95.903 -2.483 0.421 1.00 0.00 C ATOM 1429 O CYS A 98 95.780 -1.451 1.052 1.00 0.00 O ATOM 1430 CB CYS A 98 96.781 -2.774 -1.917 1.00 0.00 C ATOM 1431 SG CYS A 98 98.210 -3.334 -2.877 1.00 0.00 S ATOM 0 H CYS A 98 97.587 -4.785 -0.899 1.00 0.00 H new ATOM 0 HA CYS A 98 97.864 -1.962 -0.204 1.00 0.00 H new ATOM 0 HB2 CYS A 98 95.934 -3.439 -2.084 1.00 0.00 H new ATOM 0 HB3 CYS A 98 96.476 -1.780 -2.245 1.00 0.00 H new ATOM 1436 N ASP A 99 94.984 -3.409 0.452 1.00 0.00 N ATOM 1437 CA ASP A 99 93.754 -3.213 1.271 1.00 0.00 C ATOM 1438 C ASP A 99 94.117 -3.207 2.757 1.00 0.00 C ATOM 1439 O ASP A 99 93.551 -2.474 3.543 1.00 0.00 O ATOM 1440 CB ASP A 99 92.863 -4.411 0.940 1.00 0.00 C ATOM 1441 CG ASP A 99 92.211 -4.198 -0.427 1.00 0.00 C ATOM 1442 OD1 ASP A 99 92.550 -3.225 -1.079 1.00 0.00 O ATOM 1443 OD2 ASP A 99 91.383 -5.013 -0.800 1.00 0.00 O ATOM 0 H ASP A 99 95.032 -4.293 -0.054 1.00 0.00 H new ATOM 0 HA ASP A 99 93.256 -2.267 1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 99 93.454 -5.327 0.934 1.00 0.00 H new ATOM 0 HB3 ASP A 99 92.097 -4.531 1.706 1.00 0.00 H new ATOM 1448 N ARG A 100 95.064 -4.017 3.144 1.00 0.00 N ATOM 1449 CA ARG A 100 95.474 -4.057 4.575 1.00 0.00 C ATOM 1450 C ARG A 100 96.215 -2.771 4.941 1.00 0.00 C ATOM 1451 O ARG A 100 95.947 -2.152 5.951 1.00 0.00 O ATOM 1452 CB ARG A 100 96.408 -5.261 4.683 1.00 0.00 C ATOM 1453 CG ARG A 100 96.649 -5.592 6.158 1.00 0.00 C ATOM 1454 CD ARG A 100 98.064 -6.149 6.331 1.00 0.00 C ATOM 1455 NE ARG A 100 97.903 -7.619 6.278 1.00 0.00 N ATOM 1456 CZ ARG A 100 98.875 -8.401 6.660 1.00 0.00 C ATOM 1457 NH1 ARG A 100 100.063 -8.272 6.134 1.00 0.00 N ATOM 1458 NH2 ARG A 100 98.660 -9.312 7.569 1.00 0.00 N ATOM 0 H ARG A 100 95.572 -4.653 2.530 1.00 0.00 H new ATOM 0 HA ARG A 100 94.622 -4.140 5.250 1.00 0.00 H new ATOM 0 HB2 ARG A 100 95.971 -6.120 4.174 1.00 0.00 H new ATOM 0 HB3 ARG A 100 97.355 -5.045 4.189 1.00 0.00 H new ATOM 0 HG2 ARG A 100 96.522 -4.698 6.768 1.00 0.00 H new ATOM 0 HG3 ARG A 100 95.915 -6.320 6.503 1.00 0.00 H new ATOM 0 HD2 ARG A 100 98.727 -5.795 5.542 1.00 0.00 H new ATOM 0 HD3 ARG A 100 98.500 -5.833 7.279 1.00 0.00 H new ATOM 0 HE ARG A 100 97.029 -8.022 5.942 1.00 0.00 H new ATOM 0 HH11 ARG A 100 100.232 -7.559 5.424 1.00 0.00 H new ATOM 0 HH12 ARG A 100 100.822 -8.884 6.433 1.00 0.00 H new ATOM 0 HH21 ARG A 100 97.732 -9.413 7.981 1.00 0.00 H new ATOM 0 HH22 ARG A 100 99.420 -9.924 7.868 1.00 0.00 H new ATOM 1472 N ASN A 101 97.147 -2.365 4.123 1.00 0.00 N ATOM 1473 CA ASN A 101 97.908 -1.118 4.418 1.00 0.00 C ATOM 1474 C ASN A 101 96.957 0.082 4.461 1.00 0.00 C ATOM 1475 O ASN A 101 97.143 1.004 5.231 1.00 0.00 O ATOM 1476 CB ASN A 101 98.904 -0.977 3.266 1.00 0.00 C ATOM 1477 CG ASN A 101 100.089 -1.907 3.502 1.00 0.00 C ATOM 1478 OD1 ASN A 101 100.165 -2.574 4.514 1.00 0.00 O ATOM 1479 ND2 ASN A 101 101.024 -1.980 2.599 1.00 0.00 N ATOM 0 H ASN A 101 97.415 -2.843 3.263 1.00 0.00 H new ATOM 0 HA ASN A 101 98.411 -1.159 5.384 1.00 0.00 H new ATOM 0 HB2 ASN A 101 98.420 -1.221 2.320 1.00 0.00 H new ATOM 0 HB3 ASN A 101 99.247 0.055 3.192 1.00 0.00 H new ATOM 0 HD21 ASN A 101 101.823 -2.598 2.741 1.00 0.00 H new ATOM 0 HD22 ASN A 101 100.958 -1.419 1.750 1.00 0.00 H new ATOM 1486 N ALA A 102 95.936 0.076 3.646 1.00 0.00 N ATOM 1487 CA ALA A 102 94.974 1.213 3.651 1.00 0.00 C ATOM 1488 C ALA A 102 94.087 1.136 4.895 1.00 0.00 C ATOM 1489 O ALA A 102 93.881 2.113 5.586 1.00 0.00 O ATOM 1490 CB ALA A 102 94.139 1.036 2.382 1.00 0.00 C ATOM 0 H ALA A 102 95.728 -0.667 2.978 1.00 0.00 H new ATOM 0 HA ALA A 102 95.474 2.181 3.672 1.00 0.00 H new ATOM 0 HB1 ALA A 102 93.405 1.839 2.315 1.00 0.00 H new ATOM 0 HB2 ALA A 102 94.792 1.067 1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 102 93.625 0.076 2.416 1.00 0.00 H new ATOM 1496 N ALA A 103 93.567 -0.026 5.190 1.00 0.00 N ATOM 1497 CA ALA A 103 92.702 -0.168 6.395 1.00 0.00 C ATOM 1498 C ALA A 103 93.517 0.138 7.655 1.00 0.00 C ATOM 1499 O ALA A 103 93.029 0.745 8.589 1.00 0.00 O ATOM 1500 CB ALA A 103 92.243 -1.627 6.387 1.00 0.00 C ATOM 0 H ALA A 103 93.704 -0.880 4.650 1.00 0.00 H new ATOM 0 HA ALA A 103 91.855 0.518 6.386 1.00 0.00 H new ATOM 0 HB1 ALA A 103 91.599 -1.811 7.247 1.00 0.00 H new ATOM 0 HB2 ALA A 103 91.690 -1.829 5.470 1.00 0.00 H new ATOM 0 HB3 ALA A 103 93.113 -2.282 6.438 1.00 0.00 H new ATOM 1506 N ILE A 104 94.758 -0.269 7.683 1.00 0.00 N ATOM 1507 CA ILE A 104 95.605 0.009 8.877 1.00 0.00 C ATOM 1508 C ILE A 104 95.862 1.514 8.987 1.00 0.00 C ATOM 1509 O ILE A 104 95.907 2.069 10.068 1.00 0.00 O ATOM 1510 CB ILE A 104 96.912 -0.744 8.624 1.00 0.00 C ATOM 1511 CG1 ILE A 104 96.659 -2.251 8.726 1.00 0.00 C ATOM 1512 CG2 ILE A 104 97.950 -0.331 9.670 1.00 0.00 C ATOM 1513 CD1 ILE A 104 97.890 -3.010 8.224 1.00 0.00 C ATOM 0 H ILE A 104 95.220 -0.781 6.932 1.00 0.00 H new ATOM 0 HA ILE A 104 95.133 -0.307 9.807 1.00 0.00 H new ATOM 0 HB ILE A 104 97.283 -0.503 7.628 1.00 0.00 H new ATOM 0 HG12 ILE A 104 96.445 -2.526 9.759 1.00 0.00 H new ATOM 0 HG13 ILE A 104 95.784 -2.525 8.136 1.00 0.00 H new ATOM 0 HG21 ILE A 104 98.882 -0.868 9.490 1.00 0.00 H new ATOM 0 HG22 ILE A 104 98.130 0.742 9.600 1.00 0.00 H new ATOM 0 HG23 ILE A 104 97.579 -0.573 10.666 1.00 0.00 H new ATOM 0 HD11 ILE A 104 97.711 -4.083 8.296 1.00 0.00 H new ATOM 0 HD12 ILE A 104 98.083 -2.744 7.185 1.00 0.00 H new ATOM 0 HD13 ILE A 104 98.754 -2.745 8.833 1.00 0.00 H new ATOM 1525 N CYS A 105 96.028 2.179 7.876 1.00 0.00 N ATOM 1526 CA CYS A 105 96.274 3.647 7.917 1.00 0.00 C ATOM 1527 C CYS A 105 95.038 4.349 8.486 1.00 0.00 C ATOM 1528 O CYS A 105 95.138 5.250 9.294 1.00 0.00 O ATOM 1529 CB CYS A 105 96.504 4.050 6.459 1.00 0.00 C ATOM 1530 SG CYS A 105 97.416 5.615 6.394 1.00 0.00 S ATOM 0 H CYS A 105 96.004 1.769 6.943 1.00 0.00 H new ATOM 0 HA CYS A 105 97.122 3.919 8.545 1.00 0.00 H new ATOM 0 HB2 CYS A 105 97.062 3.271 5.940 1.00 0.00 H new ATOM 0 HB3 CYS A 105 95.548 4.153 5.945 1.00 0.00 H new ATOM 1535 N PHE A 106 93.870 3.930 8.073 1.00 0.00 N ATOM 1536 CA PHE A 106 92.627 4.552 8.589 1.00 0.00 C ATOM 1537 C PHE A 106 92.604 4.472 10.114 1.00 0.00 C ATOM 1538 O PHE A 106 92.181 5.388 10.792 1.00 0.00 O ATOM 1539 CB PHE A 106 91.487 3.717 8.001 1.00 0.00 C ATOM 1540 CG PHE A 106 91.520 3.778 6.490 1.00 0.00 C ATOM 1541 CD1 PHE A 106 92.112 4.867 5.839 1.00 0.00 C ATOM 1542 CD2 PHE A 106 90.951 2.741 5.741 1.00 0.00 C ATOM 1543 CE1 PHE A 106 92.136 4.917 4.440 1.00 0.00 C ATOM 1544 CE2 PHE A 106 90.976 2.791 4.342 1.00 0.00 C ATOM 1545 CZ PHE A 106 91.567 3.880 3.692 1.00 0.00 C ATOM 0 H PHE A 106 93.729 3.179 7.397 1.00 0.00 H new ATOM 0 HA PHE A 106 92.546 5.604 8.314 1.00 0.00 H new ATOM 0 HB2 PHE A 106 91.576 2.682 8.332 1.00 0.00 H new ATOM 0 HB3 PHE A 106 90.529 4.088 8.366 1.00 0.00 H new ATOM 0 HD1 PHE A 106 92.550 5.668 6.416 1.00 0.00 H new ATOM 0 HD2 PHE A 106 90.492 1.902 6.243 1.00 0.00 H new ATOM 0 HE1 PHE A 106 92.594 5.756 3.938 1.00 0.00 H new ATOM 0 HE2 PHE A 106 90.539 1.989 3.765 1.00 0.00 H new ATOM 0 HZ PHE A 106 91.584 3.920 2.613 1.00 0.00 H new ATOM 1555 N SER A 107 93.053 3.374 10.652 1.00 0.00 N ATOM 1556 CA SER A 107 93.058 3.209 12.134 1.00 0.00 C ATOM 1557 C SER A 107 94.307 3.855 12.744 1.00 0.00 C ATOM 1558 O SER A 107 94.396 4.041 13.940 1.00 0.00 O ATOM 1559 CB SER A 107 93.078 1.697 12.356 1.00 0.00 C ATOM 1560 OG SER A 107 94.426 1.254 12.458 1.00 0.00 O ATOM 0 H SER A 107 93.419 2.579 10.128 1.00 0.00 H new ATOM 0 HA SER A 107 92.198 3.686 12.604 1.00 0.00 H new ATOM 0 HB2 SER A 107 92.530 1.444 13.264 1.00 0.00 H new ATOM 0 HB3 SER A 107 92.578 1.190 11.531 1.00 0.00 H new ATOM 0 HG SER A 107 94.921 1.526 11.657 1.00 0.00 H new ATOM 1566 N LYS A 108 95.271 4.198 11.933 1.00 0.00 N ATOM 1567 CA LYS A 108 96.508 4.831 12.479 1.00 0.00 C ATOM 1568 C LYS A 108 96.429 6.350 12.329 1.00 0.00 C ATOM 1569 O LYS A 108 97.161 7.087 12.960 1.00 0.00 O ATOM 1570 CB LYS A 108 97.650 4.265 11.636 1.00 0.00 C ATOM 1571 CG LYS A 108 97.997 2.858 12.127 1.00 0.00 C ATOM 1572 CD LYS A 108 99.197 2.930 13.072 1.00 0.00 C ATOM 1573 CE LYS A 108 99.200 1.704 13.989 1.00 0.00 C ATOM 1574 NZ LYS A 108 98.378 2.099 15.169 1.00 0.00 N ATOM 0 H LYS A 108 95.257 4.069 10.921 1.00 0.00 H new ATOM 0 HA LYS A 108 96.647 4.623 13.540 1.00 0.00 H new ATOM 0 HB2 LYS A 108 97.360 4.234 10.586 1.00 0.00 H new ATOM 0 HB3 LYS A 108 98.524 4.912 11.707 1.00 0.00 H new ATOM 0 HG2 LYS A 108 97.142 2.419 12.641 1.00 0.00 H new ATOM 0 HG3 LYS A 108 98.226 2.212 11.280 1.00 0.00 H new ATOM 0 HD2 LYS A 108 100.123 2.970 12.498 1.00 0.00 H new ATOM 0 HD3 LYS A 108 99.150 3.842 13.667 1.00 0.00 H new ATOM 0 HE2 LYS A 108 98.776 0.835 13.486 1.00 0.00 H new ATOM 0 HE3 LYS A 108 100.214 1.437 14.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 98.335 1.308 15.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 98.809 2.924 15.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 97.416 2.341 14.857 1.00 0.00 H new ATOM 1588 N VAL A 109 95.542 6.823 11.500 1.00 0.00 N ATOM 1589 CA VAL A 109 95.410 8.293 11.306 1.00 0.00 C ATOM 1590 C VAL A 109 94.049 8.767 11.822 1.00 0.00 C ATOM 1591 O VAL A 109 93.104 8.004 11.869 1.00 0.00 O ATOM 1592 CB VAL A 109 95.518 8.502 9.797 1.00 0.00 C ATOM 1593 CG1 VAL A 109 96.795 7.838 9.278 1.00 0.00 C ATOM 1594 CG2 VAL A 109 94.303 7.876 9.110 1.00 0.00 C ATOM 0 H VAL A 109 94.901 6.254 10.947 1.00 0.00 H new ATOM 0 HA VAL A 109 96.170 8.856 11.848 1.00 0.00 H new ATOM 0 HB VAL A 109 95.551 9.570 9.579 1.00 0.00 H new ATOM 0 HG11 VAL A 109 96.871 7.988 8.201 1.00 0.00 H new ATOM 0 HG12 VAL A 109 97.661 8.282 9.768 1.00 0.00 H new ATOM 0 HG13 VAL A 109 96.764 6.770 9.495 1.00 0.00 H new ATOM 0 HG21 VAL A 109 94.378 8.024 8.033 1.00 0.00 H new ATOM 0 HG22 VAL A 109 94.271 6.809 9.328 1.00 0.00 H new ATOM 0 HG23 VAL A 109 93.393 8.349 9.479 1.00 0.00 H new ATOM 1604 N PRO A 110 93.995 10.017 12.195 1.00 0.00 N ATOM 1605 CA PRO A 110 92.735 10.598 12.715 1.00 0.00 C ATOM 1606 C PRO A 110 91.735 10.812 11.577 1.00 0.00 C ATOM 1607 O PRO A 110 92.093 10.811 10.415 1.00 0.00 O ATOM 1608 CB PRO A 110 93.176 11.933 13.309 1.00 0.00 C ATOM 1609 CG PRO A 110 94.432 12.287 12.579 1.00 0.00 C ATOM 1610 CD PRO A 110 95.088 10.994 12.166 1.00 0.00 C ATOM 0 HA PRO A 110 92.235 9.957 13.441 1.00 0.00 H new ATOM 0 HB2 PRO A 110 92.411 12.698 13.172 1.00 0.00 H new ATOM 0 HB3 PRO A 110 93.353 11.848 14.381 1.00 0.00 H new ATOM 0 HG2 PRO A 110 94.210 12.901 11.706 1.00 0.00 H new ATOM 0 HG3 PRO A 110 95.097 12.869 13.217 1.00 0.00 H new ATOM 0 HD2 PRO A 110 95.529 11.070 11.172 1.00 0.00 H new ATOM 0 HD3 PRO A 110 95.890 10.717 12.850 1.00 0.00 H new ATOM 1618 N TYR A 111 90.486 10.995 11.899 1.00 0.00 N ATOM 1619 CA TYR A 111 89.465 11.209 10.835 1.00 0.00 C ATOM 1620 C TYR A 111 88.772 12.558 11.038 1.00 0.00 C ATOM 1621 O TYR A 111 88.449 12.939 12.146 1.00 0.00 O ATOM 1622 CB TYR A 111 88.470 10.060 11.001 1.00 0.00 C ATOM 1623 CG TYR A 111 87.203 10.375 10.242 1.00 0.00 C ATOM 1624 CD1 TYR A 111 87.244 10.546 8.853 1.00 0.00 C ATOM 1625 CD2 TYR A 111 85.988 10.496 10.926 1.00 0.00 C ATOM 1626 CE1 TYR A 111 86.070 10.837 8.148 1.00 0.00 C ATOM 1627 CE2 TYR A 111 84.813 10.787 10.221 1.00 0.00 C ATOM 1628 CZ TYR A 111 84.855 10.958 8.832 1.00 0.00 C ATOM 1629 OH TYR A 111 83.698 11.246 8.137 1.00 0.00 O ATOM 0 H TYR A 111 90.127 11.006 12.854 1.00 0.00 H new ATOM 0 HA TYR A 111 89.902 11.223 9.837 1.00 0.00 H new ATOM 0 HB2 TYR A 111 88.906 9.132 10.632 1.00 0.00 H new ATOM 0 HB3 TYR A 111 88.246 9.909 12.057 1.00 0.00 H new ATOM 0 HD1 TYR A 111 88.182 10.453 8.325 1.00 0.00 H new ATOM 0 HD2 TYR A 111 85.956 10.365 11.998 1.00 0.00 H new ATOM 0 HE1 TYR A 111 86.102 10.968 7.076 1.00 0.00 H new ATOM 0 HE2 TYR A 111 83.875 10.879 10.749 1.00 0.00 H new ATOM 0 HH TYR A 111 82.945 11.294 8.762 1.00 0.00 H new ATOM 1639 N ASN A 112 88.542 13.283 9.979 1.00 0.00 N ATOM 1640 CA ASN A 112 87.870 14.606 10.116 1.00 0.00 C ATOM 1641 C ASN A 112 86.536 14.603 9.365 1.00 0.00 C ATOM 1642 O ASN A 112 86.438 15.076 8.250 1.00 0.00 O ATOM 1643 CB ASN A 112 88.839 15.609 9.489 1.00 0.00 C ATOM 1644 CG ASN A 112 89.813 16.114 10.556 1.00 0.00 C ATOM 1645 OD1 ASN A 112 89.400 16.584 11.598 1.00 0.00 O ATOM 1646 ND2 ASN A 112 91.097 16.035 10.339 1.00 0.00 N ATOM 0 H ASN A 112 88.790 13.018 9.026 1.00 0.00 H new ATOM 0 HA ASN A 112 87.647 14.851 11.154 1.00 0.00 H new ATOM 0 HB2 ASN A 112 89.388 15.139 8.673 1.00 0.00 H new ATOM 0 HB3 ASN A 112 88.287 16.445 9.061 1.00 0.00 H new ATOM 0 HD21 ASN A 112 91.755 16.368 11.044 1.00 0.00 H new ATOM 0 HD22 ASN A 112 91.443 15.640 9.464 1.00 0.00 H new ATOM 1653 N LYS A 113 85.507 14.074 9.969 1.00 0.00 N ATOM 1654 CA LYS A 113 84.179 14.041 9.291 1.00 0.00 C ATOM 1655 C LYS A 113 83.881 15.399 8.649 1.00 0.00 C ATOM 1656 O LYS A 113 83.114 15.497 7.711 1.00 0.00 O ATOM 1657 CB LYS A 113 83.174 13.739 10.403 1.00 0.00 C ATOM 1658 CG LYS A 113 83.176 14.882 11.421 1.00 0.00 C ATOM 1659 CD LYS A 113 82.149 15.936 11.007 1.00 0.00 C ATOM 1660 CE LYS A 113 81.617 16.649 12.253 1.00 0.00 C ATOM 1661 NZ LYS A 113 80.420 17.399 11.782 1.00 0.00 N ATOM 0 H LYS A 113 85.528 13.663 10.902 1.00 0.00 H new ATOM 0 HA LYS A 113 84.139 13.298 8.494 1.00 0.00 H new ATOM 0 HB2 LYS A 113 82.176 13.616 9.982 1.00 0.00 H new ATOM 0 HB3 LYS A 113 83.431 12.801 10.894 1.00 0.00 H new ATOM 0 HG2 LYS A 113 82.940 14.499 12.414 1.00 0.00 H new ATOM 0 HG3 LYS A 113 84.168 15.329 11.480 1.00 0.00 H new ATOM 0 HD2 LYS A 113 82.606 16.657 10.330 1.00 0.00 H new ATOM 0 HD3 LYS A 113 81.328 15.466 10.466 1.00 0.00 H new ATOM 0 HE2 LYS A 113 81.354 15.936 13.035 1.00 0.00 H new ATOM 0 HE3 LYS A 113 82.365 17.322 12.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 79.998 17.915 12.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 80.702 18.074 11.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 79.723 16.732 11.393 1.00 0.00 H new ATOM 1675 N GLU A 114 84.480 16.446 9.144 1.00 0.00 N ATOM 1676 CA GLU A 114 84.232 17.789 8.562 1.00 0.00 C ATOM 1677 C GLU A 114 84.740 17.833 7.121 1.00 0.00 C ATOM 1678 O GLU A 114 84.209 18.534 6.283 1.00 0.00 O ATOM 1679 CB GLU A 114 85.030 18.756 9.438 1.00 0.00 C ATOM 1680 CG GLU A 114 84.086 19.461 10.414 1.00 0.00 C ATOM 1681 CD GLU A 114 84.433 20.950 10.472 1.00 0.00 C ATOM 1682 OE1 GLU A 114 85.508 21.268 10.954 1.00 0.00 O ATOM 1683 OE2 GLU A 114 83.618 21.746 10.035 1.00 0.00 O ATOM 0 H GLU A 114 85.132 16.427 9.928 1.00 0.00 H new ATOM 0 HA GLU A 114 83.172 18.042 8.539 1.00 0.00 H new ATOM 0 HB2 GLU A 114 85.800 18.214 9.988 1.00 0.00 H new ATOM 0 HB3 GLU A 114 85.540 19.490 8.815 1.00 0.00 H new ATOM 0 HG2 GLU A 114 83.052 19.330 10.096 1.00 0.00 H new ATOM 0 HG3 GLU A 114 84.173 19.017 11.406 1.00 0.00 H new ATOM 1690 N HIS A 115 85.768 17.087 6.834 1.00 0.00 N ATOM 1691 CA HIS A 115 86.323 17.077 5.453 1.00 0.00 C ATOM 1692 C HIS A 115 85.536 16.103 4.571 1.00 0.00 C ATOM 1693 O HIS A 115 85.864 15.891 3.421 1.00 0.00 O ATOM 1694 CB HIS A 115 87.765 16.605 5.619 1.00 0.00 C ATOM 1695 CG HIS A 115 88.615 17.749 6.099 1.00 0.00 C ATOM 1696 ND1 HIS A 115 89.984 17.791 5.890 1.00 0.00 N ATOM 1697 CD2 HIS A 115 88.305 18.900 6.781 1.00 0.00 C ATOM 1698 CE1 HIS A 115 90.444 18.933 6.436 1.00 0.00 C ATOM 1699 NE2 HIS A 115 89.460 19.645 6.994 1.00 0.00 N ATOM 0 H HIS A 115 86.250 16.481 7.499 1.00 0.00 H new ATOM 0 HA HIS A 115 86.263 18.054 4.973 1.00 0.00 H new ATOM 0 HB2 HIS A 115 87.809 15.781 6.331 1.00 0.00 H new ATOM 0 HB3 HIS A 115 88.147 16.227 4.670 1.00 0.00 H new ATOM 0 HD2 HIS A 115 87.314 19.184 7.103 1.00 0.00 H new ATOM 0 HE1 HIS A 115 91.481 19.236 6.424 1.00 0.00 H new ATOM 0 HE2 HIS A 115 89.539 20.542 7.473 1.00 0.00 H new ATOM 1707 N LYS A 116 84.500 15.511 5.100 1.00 0.00 N ATOM 1708 CA LYS A 116 83.695 14.557 4.298 1.00 0.00 C ATOM 1709 C LYS A 116 83.017 15.284 3.134 1.00 0.00 C ATOM 1710 O LYS A 116 82.613 16.423 3.254 1.00 0.00 O ATOM 1711 CB LYS A 116 82.659 14.028 5.284 1.00 0.00 C ATOM 1712 CG LYS A 116 82.214 12.636 4.854 1.00 0.00 C ATOM 1713 CD LYS A 116 80.792 12.378 5.360 1.00 0.00 C ATOM 1714 CE LYS A 116 80.723 10.996 6.012 1.00 0.00 C ATOM 1715 NZ LYS A 116 80.222 11.248 7.393 1.00 0.00 N ATOM 0 H LYS A 116 84.178 15.650 6.058 1.00 0.00 H new ATOM 0 HA LYS A 116 84.294 13.760 3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 116 83.082 13.992 6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 116 81.802 14.700 5.323 1.00 0.00 H new ATOM 0 HG2 LYS A 116 82.246 12.551 3.768 1.00 0.00 H new ATOM 0 HG3 LYS A 116 82.896 11.885 5.253 1.00 0.00 H new ATOM 0 HD2 LYS A 116 80.506 13.145 6.079 1.00 0.00 H new ATOM 0 HD3 LYS A 116 80.084 12.437 4.533 1.00 0.00 H new ATOM 0 HE2 LYS A 116 80.053 10.333 5.464 1.00 0.00 H new ATOM 0 HE3 LYS A 116 81.702 10.517 6.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 80.147 10.346 7.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 80.883 11.876 7.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 79.286 11.698 7.346 1.00 0.00 H new ATOM 1729 N ASN A 117 82.890 14.636 2.009 1.00 0.00 N ATOM 1730 CA ASN A 117 82.240 15.294 0.840 1.00 0.00 C ATOM 1731 C ASN A 117 82.831 16.691 0.628 1.00 0.00 C ATOM 1732 O ASN A 117 82.128 17.682 0.627 1.00 0.00 O ATOM 1733 CB ASN A 117 80.760 15.385 1.214 1.00 0.00 C ATOM 1734 CG ASN A 117 80.182 13.975 1.349 1.00 0.00 C ATOM 1735 OD1 ASN A 117 80.294 13.344 2.486 1.00 0.00 O flip ATOM 1736 ND2 ASN A 117 79.624 13.443 0.411 1.00 0.00 N flip ATOM 0 H ASN A 117 83.208 13.680 1.848 1.00 0.00 H new ATOM 0 HA ASN A 117 82.392 14.742 -0.087 1.00 0.00 H new ATOM 0 HB2 ASN A 117 80.643 15.929 2.151 1.00 0.00 H new ATOM 0 HB3 ASN A 117 80.215 15.942 0.452 1.00 0.00 H new ATOM 0 HD21 ASN A 117 79.537 13.937 -0.477 1.00 0.00 H new ATOM 0 HD22 ASN A 117 79.242 12.502 0.511 1.00 0.00 H new ATOM 1743 N LEU A 118 84.122 16.773 0.455 1.00 0.00 N ATOM 1744 CA LEU A 118 84.775 18.070 0.252 1.00 0.00 C ATOM 1745 C LEU A 118 84.550 18.541 -1.187 1.00 0.00 C ATOM 1746 O LEU A 118 84.026 17.822 -2.016 1.00 0.00 O ATOM 1747 CB LEU A 118 86.243 17.742 0.540 1.00 0.00 C ATOM 1748 CG LEU A 118 87.182 18.657 -0.230 1.00 0.00 C ATOM 1749 CD1 LEU A 118 87.249 20.029 0.445 1.00 0.00 C ATOM 1750 CD2 LEU A 118 88.582 18.037 -0.250 1.00 0.00 C ATOM 0 H LEU A 118 84.753 15.972 0.448 1.00 0.00 H new ATOM 0 HA LEU A 118 84.401 18.879 0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 118 86.435 17.838 1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 118 86.444 16.705 0.272 1.00 0.00 H new ATOM 0 HG LEU A 118 86.811 18.777 -1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 118 87.924 20.677 -0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 118 86.254 20.473 0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 118 87.617 19.915 1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 118 89.261 18.688 -0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 118 88.942 17.919 0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 118 88.541 17.062 -0.735 1.00 0.00 H new ATOM 1762 N ASP A 119 84.943 19.740 -1.483 1.00 0.00 N ATOM 1763 CA ASP A 119 84.765 20.276 -2.863 1.00 0.00 C ATOM 1764 C ASP A 119 85.993 19.955 -3.715 1.00 0.00 C ATOM 1765 O ASP A 119 87.101 20.333 -3.392 1.00 0.00 O ATOM 1766 CB ASP A 119 84.614 21.788 -2.683 1.00 0.00 C ATOM 1767 CG ASP A 119 83.939 22.385 -3.919 1.00 0.00 C ATOM 1768 OD1 ASP A 119 82.983 21.793 -4.391 1.00 0.00 O ATOM 1769 OD2 ASP A 119 84.390 23.424 -4.372 1.00 0.00 O ATOM 0 H ASP A 119 85.385 20.383 -0.826 1.00 0.00 H new ATOM 0 HA ASP A 119 83.905 19.839 -3.370 1.00 0.00 H new ATOM 0 HB2 ASP A 119 84.021 22.001 -1.793 1.00 0.00 H new ATOM 0 HB3 ASP A 119 85.591 22.246 -2.532 1.00 0.00 H new ATOM 1774 N LYS A 120 85.805 19.260 -4.803 1.00 0.00 N ATOM 1775 CA LYS A 120 86.959 18.916 -5.674 1.00 0.00 C ATOM 1776 C LYS A 120 87.872 20.132 -5.843 1.00 0.00 C ATOM 1777 O LYS A 120 89.055 20.004 -6.093 1.00 0.00 O ATOM 1778 CB LYS A 120 86.344 18.515 -7.016 1.00 0.00 C ATOM 1779 CG LYS A 120 85.682 17.139 -6.886 1.00 0.00 C ATOM 1780 CD LYS A 120 85.915 16.338 -8.169 1.00 0.00 C ATOM 1781 CE LYS A 120 84.830 15.268 -8.311 1.00 0.00 C ATOM 1782 NZ LYS A 120 84.208 15.523 -9.640 1.00 0.00 N ATOM 0 H LYS A 120 84.900 18.916 -5.125 1.00 0.00 H new ATOM 0 HA LYS A 120 87.568 18.116 -5.253 1.00 0.00 H new ATOM 0 HB2 LYS A 120 85.608 19.256 -7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 120 87.114 18.488 -7.787 1.00 0.00 H new ATOM 0 HG2 LYS A 120 86.095 16.604 -6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 120 84.613 17.253 -6.705 1.00 0.00 H new ATOM 0 HD2 LYS A 120 85.899 17.003 -9.033 1.00 0.00 H new ATOM 0 HD3 LYS A 120 86.899 15.871 -8.144 1.00 0.00 H new ATOM 0 HE2 LYS A 120 85.255 14.266 -8.260 1.00 0.00 H new ATOM 0 HE3 LYS A 120 84.094 15.343 -7.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 83.453 14.828 -9.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 83.806 16.482 -9.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 84.930 15.438 -10.383 1.00 0.00 H new ATOM 1796 N LYS A 121 87.334 21.313 -5.707 1.00 0.00 N ATOM 1797 CA LYS A 121 88.176 22.535 -5.860 1.00 0.00 C ATOM 1798 C LYS A 121 89.284 22.539 -4.814 1.00 0.00 C ATOM 1799 O LYS A 121 90.277 23.229 -4.937 1.00 0.00 O ATOM 1800 CB LYS A 121 87.228 23.703 -5.631 1.00 0.00 C ATOM 1801 CG LYS A 121 86.742 24.230 -6.978 1.00 0.00 C ATOM 1802 CD LYS A 121 85.212 24.260 -6.994 1.00 0.00 C ATOM 1803 CE LYS A 121 84.723 24.549 -8.415 1.00 0.00 C ATOM 1804 NZ LYS A 121 84.347 25.991 -8.406 1.00 0.00 N ATOM 0 H LYS A 121 86.351 21.485 -5.497 1.00 0.00 H new ATOM 0 HA LYS A 121 88.655 22.586 -6.838 1.00 0.00 H new ATOM 0 HB2 LYS A 121 86.380 23.384 -5.025 1.00 0.00 H new ATOM 0 HB3 LYS A 121 87.735 24.495 -5.079 1.00 0.00 H new ATOM 0 HG2 LYS A 121 87.138 25.231 -7.153 1.00 0.00 H new ATOM 0 HG3 LYS A 121 87.112 23.596 -7.783 1.00 0.00 H new ATOM 0 HD2 LYS A 121 84.815 23.305 -6.648 1.00 0.00 H new ATOM 0 HD3 LYS A 121 84.845 25.025 -6.309 1.00 0.00 H new ATOM 0 HE2 LYS A 121 85.503 24.349 -9.149 1.00 0.00 H new ATOM 0 HE3 LYS A 121 83.871 23.920 -8.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 84.001 26.265 -9.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 83.598 26.150 -7.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 85.179 26.565 -8.162 1.00 0.00 H new ATOM 1818 N ASN A 122 89.127 21.745 -3.808 1.00 0.00 N ATOM 1819 CA ASN A 122 90.169 21.647 -2.754 1.00 0.00 C ATOM 1820 C ASN A 122 91.033 20.436 -3.058 1.00 0.00 C ATOM 1821 O ASN A 122 92.045 20.188 -2.433 1.00 0.00 O ATOM 1822 CB ASN A 122 89.397 21.422 -1.462 1.00 0.00 C ATOM 1823 CG ASN A 122 89.087 22.765 -0.802 1.00 0.00 C ATOM 1824 OD1 ASN A 122 89.885 23.285 -0.049 1.00 0.00 O ATOM 1825 ND2 ASN A 122 87.951 23.352 -1.059 1.00 0.00 N ATOM 0 H ASN A 122 88.312 21.149 -3.664 1.00 0.00 H new ATOM 0 HA ASN A 122 90.809 22.527 -2.693 1.00 0.00 H new ATOM 0 HB2 ASN A 122 88.471 20.886 -1.670 1.00 0.00 H new ATOM 0 HB3 ASN A 122 89.980 20.799 -0.783 1.00 0.00 H new ATOM 0 HD21 ASN A 122 87.732 24.250 -0.627 1.00 0.00 H new ATOM 0 HD22 ASN A 122 87.282 22.913 -1.692 1.00 0.00 H new ATOM 1832 N CYS A 123 90.604 19.675 -4.014 1.00 0.00 N ATOM 1833 CA CYS A 123 91.338 18.450 -4.401 1.00 0.00 C ATOM 1834 C CYS A 123 92.243 18.725 -5.604 1.00 0.00 C ATOM 1835 O CYS A 123 93.166 19.511 -5.459 1.00 0.00 O ATOM 1836 CB CYS A 123 90.224 17.473 -4.767 1.00 0.00 C ATOM 1837 SG CYS A 123 89.725 16.532 -3.302 1.00 0.00 S ATOM 1838 OXT CYS A 123 92.000 18.145 -6.649 1.00 0.00 O ATOM 0 H CYS A 123 89.758 19.854 -4.555 1.00 0.00 H new ATOM 0 HA CYS A 123 91.991 18.072 -3.614 1.00 0.00 H new ATOM 0 HB2 CYS A 123 89.369 18.017 -5.170 1.00 0.00 H new ATOM 0 HB3 CYS A 123 90.566 16.793 -5.548 1.00 0.00 H new TER 1843 CYS A 123