USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 882 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 105 SER OG : rot -118:sc= -1.19 USER MOD Set 1.2: A 107 SER OG : rot 180:sc= -0.0252 USER MOD Set 2.1: A 53 HIS : no HE2:sc= -0.967 X(o=-6.9,f=-7.2) USER MOD Set 2.2: A 95 HIS : no HD1:sc= -5.96! C(o=-6.9!,f=-6.4!) USER MOD Set 3.1: A 55 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.56) USER MOD Set 3.2: A 56 ASN : amide:sc= 0 X(o=-0.24,f=-0.24) USER MOD Set 4.1: A 51 SER OG : rot -60:sc= 1.13 USER MOD Set 4.2: A 52 CYS SG : rot 56:sc= 0.053 USER MOD Set 5.1: A 41 THR OG1 : rot -127:sc= 1.24 USER MOD Set 5.2: A 43 SER OG : rot 60:sc= 0.959 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -3.85 K(o=-3.8,f=-5.6!) USER MOD Single : A 7 LYS NZ :NH3+ -123:sc= -1.5 (180deg=-2.3!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= -0.851 USER MOD Single : A 13 THR OG1 : rot 91:sc= 0.992 USER MOD Single : A 14 ASN : amide:sc= -0.221 K(o=-0.22,f=-2.5!) USER MOD Single : A 17 HIS : no HD1:sc= -3.02! C(o=-3!,f=-5.4!) USER MOD Single : A 18 SER OG : rot -32:sc= 0.145 USER MOD Single : A 20 ASN : amide:sc= -7.38! C(o=-7.4!,f=-13!) USER MOD Single : A 22 MET CE :methyl -115:sc= 0 (180deg=-0.041) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.904 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.914 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -4.15! C(o=-4.1!,f=-5.8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00601) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 125:sc= 0.0397 USER MOD Single : A 54 THR OG1 : rot 29:sc= -1.82! USER MOD Single : A 59 ASN : amide:sc= 0.145 K(o=0.15,f=-7.7!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -8.72! C(o=-8.7!,f=-9.9!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00393 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -2.25! C(o=-2.2!,f=-8.6!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0529 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -40:sc= 1.14 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.873 K(o=-0.87,f=-2.2!) USER MOD Single : A 109 LYS NZ :NH3+ 126:sc= -0.0065 (180deg=-0.739) USER MOD Single : A 111 ASN : amide:sc= -4.8! K(o=-4.8!,f=-0.59) USER MOD Single : A 115 TYR OH : rot -30:sc= -2 USER MOD Single : A 118 THR OG1 : rot -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 -6.730 -2.012 15.057 1.00 0.00 N ATOM 32 CA THR A 3 -6.489 -3.383 15.472 1.00 0.00 C ATOM 33 C THR A 3 -6.652 -4.336 14.286 1.00 0.00 C ATOM 34 O THR A 3 -6.753 -5.549 14.468 1.00 0.00 O ATOM 35 CB THR A 3 -7.430 -3.697 16.637 1.00 0.00 C ATOM 36 OG1 THR A 3 -6.644 -4.504 17.510 1.00 0.00 O ATOM 37 CG2 THR A 3 -8.587 -4.610 16.226 1.00 0.00 C ATOM 0 HA THR A 3 -5.464 -3.517 15.818 1.00 0.00 H new ATOM 0 HB THR A 3 -7.828 -2.767 17.042 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.177 -4.752 18.294 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.224 -4.801 17.090 1.00 0.00 H new ATOM 0 HG22 THR A 3 -9.172 -4.126 15.444 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.190 -5.554 15.852 1.00 0.00 H new ATOM 45 N ASN A 4 -6.674 -3.752 13.097 1.00 0.00 N ATOM 46 CA ASN A 4 -6.823 -4.534 11.882 1.00 0.00 C ATOM 47 C ASN A 4 -5.473 -4.620 11.167 1.00 0.00 C ATOM 48 O ASN A 4 -4.914 -5.705 11.018 1.00 0.00 O ATOM 49 CB ASN A 4 -7.823 -3.881 10.926 1.00 0.00 C ATOM 50 CG ASN A 4 -7.773 -2.355 11.038 1.00 0.00 C ATOM 51 OD1 ASN A 4 -7.196 -1.665 10.213 1.00 0.00 O ATOM 52 ND2 ASN A 4 -8.408 -1.870 12.101 1.00 0.00 N ATOM 0 H ASN A 4 -6.591 -2.746 12.949 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.184 -5.524 12.161 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.602 -4.181 9.902 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.830 -4.233 11.151 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -8.433 -0.864 12.265 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.871 -2.504 12.752 1.00 0.00 H new ATOM 59 N ALA A 5 -4.989 -3.462 10.743 1.00 0.00 N ATOM 60 CA ALA A 5 -3.715 -3.393 10.048 1.00 0.00 C ATOM 61 C ALA A 5 -2.741 -4.391 10.676 1.00 0.00 C ATOM 62 O ALA A 5 -2.146 -5.208 9.975 1.00 0.00 O ATOM 63 CB ALA A 5 -3.187 -1.957 10.090 1.00 0.00 C ATOM 0 H ALA A 5 -5.456 -2.564 10.867 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.835 -3.666 8.999 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.231 -1.905 9.569 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.902 -1.292 9.605 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.052 -1.649 11.127 1.00 0.00 H new ATOM 69 N GLU A 6 -2.608 -4.292 11.991 1.00 0.00 N ATOM 70 CA GLU A 6 -1.717 -5.177 12.722 1.00 0.00 C ATOM 71 C GLU A 6 -1.875 -6.616 12.229 1.00 0.00 C ATOM 72 O GLU A 6 -0.886 -7.307 11.990 1.00 0.00 O ATOM 73 CB GLU A 6 -1.964 -5.082 14.228 1.00 0.00 C ATOM 74 CG GLU A 6 -1.640 -6.407 14.921 1.00 0.00 C ATOM 75 CD GLU A 6 -0.181 -6.805 14.689 1.00 0.00 C ATOM 76 OE1 GLU A 6 0.692 -5.970 15.010 1.00 0.00 O ATOM 77 OE2 GLU A 6 0.028 -7.934 14.196 1.00 0.00 O ATOM 0 H GLU A 6 -3.102 -3.612 12.569 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.690 -4.862 12.536 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.351 -4.287 14.651 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.004 -4.815 14.413 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.831 -6.318 15.991 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.298 -7.189 14.544 1.00 0.00 H new ATOM 84 N LYS A 7 -3.128 -7.026 12.091 1.00 0.00 N ATOM 85 CA LYS A 7 -3.429 -8.371 11.631 1.00 0.00 C ATOM 86 C LYS A 7 -2.784 -8.593 10.262 1.00 0.00 C ATOM 87 O LYS A 7 -2.022 -9.541 10.077 1.00 0.00 O ATOM 88 CB LYS A 7 -4.939 -8.617 11.646 1.00 0.00 C ATOM 89 CG LYS A 7 -5.281 -9.965 11.009 1.00 0.00 C ATOM 90 CD LYS A 7 -5.321 -9.856 9.483 1.00 0.00 C ATOM 91 CE LYS A 7 -6.686 -10.281 8.938 1.00 0.00 C ATOM 92 NZ LYS A 7 -6.613 -11.642 8.361 1.00 0.00 N ATOM 0 H LYS A 7 -3.946 -6.450 12.290 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.002 -9.110 12.309 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.305 -8.593 12.672 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.447 -7.817 11.107 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.541 -10.709 11.305 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.247 -10.311 11.378 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.109 -8.830 9.183 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.541 -10.483 9.050 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.427 -10.258 9.737 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.016 -9.574 8.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.922 -11.615 7.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.633 -11.988 8.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.233 -12.281 8.899 1.00 0.00 H new ATOM 106 N LEU A 8 -3.113 -7.704 9.336 1.00 0.00 N ATOM 107 CA LEU A 8 -2.575 -7.791 7.989 1.00 0.00 C ATOM 108 C LEU A 8 -1.062 -8.010 8.062 1.00 0.00 C ATOM 109 O LEU A 8 -0.520 -8.861 7.359 1.00 0.00 O ATOM 110 CB LEU A 8 -2.980 -6.564 7.170 1.00 0.00 C ATOM 111 CG LEU A 8 -4.435 -6.523 6.698 1.00 0.00 C ATOM 112 CD1 LEU A 8 -4.609 -5.531 5.546 1.00 0.00 C ATOM 113 CD2 LEU A 8 -4.931 -7.923 6.329 1.00 0.00 C ATOM 0 H LEU A 8 -3.746 -6.919 9.492 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.997 -8.649 7.465 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.788 -5.673 7.768 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.333 -6.506 6.295 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.053 -6.170 7.524 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.652 -5.521 5.229 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.321 -4.534 5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.978 -5.831 4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.968 -7.866 5.997 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.314 -8.328 5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.865 -8.574 7.201 1.00 0.00 H new ATOM 125 N VAL A 9 -0.424 -7.227 8.920 1.00 0.00 N ATOM 126 CA VAL A 9 1.015 -7.325 9.094 1.00 0.00 C ATOM 127 C VAL A 9 1.380 -8.755 9.498 1.00 0.00 C ATOM 128 O VAL A 9 2.234 -9.405 8.899 1.00 0.00 O ATOM 129 CB VAL A 9 1.493 -6.278 10.102 1.00 0.00 C ATOM 130 CG1 VAL A 9 2.996 -6.407 10.356 1.00 0.00 C ATOM 131 CG2 VAL A 9 1.134 -4.865 9.638 1.00 0.00 C ATOM 0 H VAL A 9 -0.877 -6.522 9.502 1.00 0.00 H new ATOM 0 HA VAL A 9 1.528 -7.112 8.156 1.00 0.00 H new ATOM 0 HB VAL A 9 0.977 -6.461 11.045 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.310 -5.651 11.076 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.214 -7.399 10.753 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.537 -6.263 9.421 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.485 -4.141 10.373 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.608 -4.666 8.677 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.052 -4.780 9.533 1.00 0.00 H new ATOM 141 N TYR A 10 0.703 -9.236 10.542 1.00 0.00 N ATOM 142 CA TYR A 10 0.932 -10.573 11.050 1.00 0.00 C ATOM 143 C TYR A 10 0.320 -11.597 10.104 1.00 0.00 C ATOM 144 O TYR A 10 0.420 -12.792 10.376 1.00 0.00 O ATOM 145 CB TYR A 10 0.327 -10.697 12.446 1.00 0.00 C ATOM 146 CG TYR A 10 0.932 -11.810 13.268 1.00 0.00 C ATOM 147 CD1 TYR A 10 0.390 -13.099 13.207 1.00 0.00 C ATOM 148 CD2 TYR A 10 2.034 -11.552 14.092 1.00 0.00 C ATOM 149 CE1 TYR A 10 0.951 -14.131 13.970 1.00 0.00 C ATOM 150 CE2 TYR A 10 2.595 -12.583 14.854 1.00 0.00 C ATOM 151 CZ TYR A 10 2.053 -13.873 14.793 1.00 0.00 C ATOM 152 OH TYR A 10 2.600 -14.878 15.536 1.00 0.00 O ATOM 0 H TYR A 10 -0.010 -8.710 11.048 1.00 0.00 H new ATOM 0 HA TYR A 10 2.003 -10.763 11.114 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.458 -9.753 12.975 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.746 -10.865 12.355 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.461 -13.298 12.572 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.451 -10.557 14.140 1.00 0.00 H new ATOM 0 HE1 TYR A 10 0.533 -15.126 13.923 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.446 -12.384 15.489 1.00 0.00 H new ATOM 0 HH TYR A 10 3.358 -14.529 16.050 1.00 0.00 H new ATOM 162 N LYS A 11 -0.291 -11.120 9.030 1.00 0.00 N ATOM 163 CA LYS A 11 -0.908 -12.012 8.063 1.00 0.00 C ATOM 164 C LYS A 11 0.019 -12.170 6.856 1.00 0.00 C ATOM 165 O LYS A 11 0.638 -13.209 6.640 1.00 0.00 O ATOM 166 CB LYS A 11 -2.311 -11.521 7.700 1.00 0.00 C ATOM 167 CG LYS A 11 -3.269 -12.696 7.497 1.00 0.00 C ATOM 168 CD LYS A 11 -3.578 -13.387 8.827 1.00 0.00 C ATOM 169 CE LYS A 11 -4.734 -14.377 8.675 1.00 0.00 C ATOM 170 NZ LYS A 11 -4.612 -15.473 9.663 1.00 0.00 N ATOM 0 H LYS A 11 -0.372 -10.128 8.808 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.043 -13.004 8.493 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.689 -10.872 8.490 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.266 -10.922 6.790 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.195 -12.341 7.044 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.829 -13.413 6.804 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.691 -13.910 9.184 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.831 -12.640 9.579 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.684 -13.860 8.812 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.738 -14.788 7.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.405 -16.136 9.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.714 -15.977 9.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.631 -15.077 10.625 1.00 0.00 H new ATOM 184 N TYR A 12 0.101 -11.099 6.064 1.00 0.00 N ATOM 185 CA TYR A 12 0.936 -11.088 4.879 1.00 0.00 C ATOM 186 C TYR A 12 2.358 -11.489 5.246 1.00 0.00 C ATOM 187 O TYR A 12 3.102 -11.911 4.363 1.00 0.00 O ATOM 188 CB TYR A 12 0.910 -9.697 4.253 1.00 0.00 C ATOM 189 CG TYR A 12 -0.438 -9.314 3.691 1.00 0.00 C ATOM 190 CD1 TYR A 12 -0.847 -9.816 2.450 1.00 0.00 C ATOM 191 CD2 TYR A 12 -1.279 -8.457 4.411 1.00 0.00 C ATOM 192 CE1 TYR A 12 -2.097 -9.462 1.929 1.00 0.00 C ATOM 193 CE2 TYR A 12 -2.529 -8.102 3.889 1.00 0.00 C ATOM 194 CZ TYR A 12 -2.938 -8.604 2.648 1.00 0.00 C ATOM 195 OH TYR A 12 -4.156 -8.259 2.141 1.00 0.00 O ATOM 0 H TYR A 12 -0.406 -10.229 6.230 1.00 0.00 H new ATOM 0 HA TYR A 12 0.554 -11.806 4.153 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.203 -8.964 5.004 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.653 -9.652 3.457 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.198 -10.477 1.894 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.964 -8.070 5.369 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.413 -9.851 0.972 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.178 -7.441 4.444 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.613 -7.658 2.767 1.00 0.00 H new ATOM 205 N THR A 13 2.704 -11.352 6.517 1.00 0.00 N ATOM 206 CA THR A 13 4.037 -11.706 6.972 1.00 0.00 C ATOM 207 C THR A 13 4.159 -13.222 7.141 1.00 0.00 C ATOM 208 O THR A 13 5.096 -13.834 6.631 1.00 0.00 O ATOM 209 CB THR A 13 4.321 -10.927 8.258 1.00 0.00 C ATOM 210 OG1 THR A 13 4.361 -9.566 7.838 1.00 0.00 O ATOM 211 CG2 THR A 13 5.725 -11.190 8.805 1.00 0.00 C ATOM 0 H THR A 13 2.084 -11.000 7.246 1.00 0.00 H new ATOM 0 HA THR A 13 4.791 -11.431 6.235 1.00 0.00 H new ATOM 0 HB THR A 13 3.582 -11.193 9.014 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.465 -9.175 7.910 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.874 -10.613 9.718 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.837 -12.252 9.025 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.466 -10.893 8.063 1.00 0.00 H new ATOM 219 N ASN A 14 3.197 -13.784 7.859 1.00 0.00 N ATOM 220 CA ASN A 14 3.184 -15.217 8.101 1.00 0.00 C ATOM 221 C ASN A 14 3.143 -15.956 6.762 1.00 0.00 C ATOM 222 O ASN A 14 3.992 -16.802 6.490 1.00 0.00 O ATOM 223 CB ASN A 14 1.950 -15.628 8.906 1.00 0.00 C ATOM 224 CG ASN A 14 2.281 -16.766 9.874 1.00 0.00 C ATOM 225 OD1 ASN A 14 3.414 -17.202 9.996 1.00 0.00 O ATOM 226 ND2 ASN A 14 1.232 -17.221 10.553 1.00 0.00 N ATOM 0 H ASN A 14 2.421 -13.273 8.281 1.00 0.00 H new ATOM 0 HA ASN A 14 4.083 -15.472 8.663 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.572 -14.770 9.463 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.157 -15.942 8.228 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.349 -17.980 11.224 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.310 -16.811 10.403 1.00 0.00 H new ATOM 233 N ILE A 15 2.146 -15.608 5.961 1.00 0.00 N ATOM 234 CA ILE A 15 1.983 -16.229 4.657 1.00 0.00 C ATOM 235 C ILE A 15 3.320 -16.202 3.914 1.00 0.00 C ATOM 236 O ILE A 15 3.762 -17.223 3.389 1.00 0.00 O ATOM 237 CB ILE A 15 0.838 -15.565 3.888 1.00 0.00 C ATOM 238 CG1 ILE A 15 -0.519 -16.075 4.377 1.00 0.00 C ATOM 239 CG2 ILE A 15 1.011 -15.752 2.380 1.00 0.00 C ATOM 240 CD1 ILE A 15 -1.499 -14.917 4.580 1.00 0.00 C ATOM 0 H ILE A 15 1.444 -14.905 6.190 1.00 0.00 H new ATOM 0 HA ILE A 15 1.699 -17.276 4.765 1.00 0.00 H new ATOM 0 HB ILE A 15 0.869 -14.494 4.086 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.929 -16.780 3.654 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.392 -16.617 5.314 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.185 -15.271 1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.952 -15.302 2.063 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.020 -16.816 2.144 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.456 -15.307 4.928 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.097 -14.226 5.321 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.643 -14.392 3.636 1.00 0.00 H new ATOM 252 N ALA A 16 3.926 -15.025 3.894 1.00 0.00 N ATOM 253 CA ALA A 16 5.204 -14.852 3.224 1.00 0.00 C ATOM 254 C ALA A 16 6.218 -15.839 3.806 1.00 0.00 C ATOM 255 O ALA A 16 6.891 -16.553 3.064 1.00 0.00 O ATOM 256 CB ALA A 16 5.661 -13.398 3.361 1.00 0.00 C ATOM 0 H ALA A 16 3.556 -14.181 4.331 1.00 0.00 H new ATOM 0 HA ALA A 16 5.110 -15.065 2.159 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.620 -13.269 2.858 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.921 -12.740 2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.768 -13.148 4.417 1.00 0.00 H new ATOM 262 N HIS A 17 6.294 -15.848 5.129 1.00 0.00 N ATOM 263 CA HIS A 17 7.215 -16.735 5.819 1.00 0.00 C ATOM 264 C HIS A 17 6.853 -18.190 5.511 1.00 0.00 C ATOM 265 O HIS A 17 7.728 -19.053 5.458 1.00 0.00 O ATOM 266 CB HIS A 17 7.237 -16.435 7.319 1.00 0.00 C ATOM 267 CG HIS A 17 8.542 -16.781 7.996 1.00 0.00 C ATOM 268 ND1 HIS A 17 9.770 -16.362 7.514 1.00 0.00 N ATOM 269 CD2 HIS A 17 8.797 -17.508 9.121 1.00 0.00 C ATOM 270 CE1 HIS A 17 10.715 -16.823 8.320 1.00 0.00 C ATOM 271 NE2 HIS A 17 10.110 -17.533 9.315 1.00 0.00 N ATOM 0 H HIS A 17 5.733 -15.255 5.741 1.00 0.00 H new ATOM 0 HA HIS A 17 8.229 -16.564 5.458 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.031 -15.375 7.470 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.431 -16.988 7.802 1.00 0.00 H new ATOM 0 HD2 HIS A 17 8.057 -17.983 9.748 1.00 0.00 H new ATOM 0 HE1 HIS A 17 11.777 -16.664 8.209 1.00 0.00 H new ATOM 0 HE2 HIS A 17 10.588 -18.006 10.082 1.00 0.00 H new ATOM 279 N SER A 18 5.563 -18.417 5.315 1.00 0.00 N ATOM 280 CA SER A 18 5.075 -19.752 5.013 1.00 0.00 C ATOM 281 C SER A 18 5.531 -20.172 3.614 1.00 0.00 C ATOM 282 O SER A 18 5.422 -21.341 3.247 1.00 0.00 O ATOM 283 CB SER A 18 3.550 -19.817 5.116 1.00 0.00 C ATOM 284 OG SER A 18 3.056 -21.135 4.893 1.00 0.00 O ATOM 0 H SER A 18 4.840 -17.699 5.359 1.00 0.00 H new ATOM 0 HA SER A 18 5.492 -20.442 5.746 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.238 -19.475 6.103 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.108 -19.136 4.389 1.00 0.00 H new ATOM 0 HG SER A 18 3.637 -21.598 4.254 1.00 0.00 H new ATOM 290 N ALA A 19 6.032 -19.195 2.872 1.00 0.00 N ATOM 291 CA ALA A 19 6.505 -19.449 1.522 1.00 0.00 C ATOM 292 C ALA A 19 8.027 -19.606 1.540 1.00 0.00 C ATOM 293 O ALA A 19 8.575 -20.452 0.836 1.00 0.00 O ATOM 294 CB ALA A 19 6.046 -18.318 0.599 1.00 0.00 C ATOM 0 H ALA A 19 6.121 -18.227 3.180 1.00 0.00 H new ATOM 0 HA ALA A 19 6.083 -20.377 1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.401 -18.508 -0.414 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.957 -18.268 0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.453 -17.371 0.954 1.00 0.00 H new ATOM 300 N ASN A 20 8.665 -18.777 2.352 1.00 0.00 N ATOM 301 CA ASN A 20 10.113 -18.813 2.471 1.00 0.00 C ATOM 302 C ASN A 20 10.510 -18.499 3.915 1.00 0.00 C ATOM 303 O ASN A 20 10.009 -17.569 4.542 1.00 0.00 O ATOM 304 CB ASN A 20 10.767 -17.768 1.564 1.00 0.00 C ATOM 305 CG ASN A 20 10.260 -16.363 1.893 1.00 0.00 C ATOM 306 OD1 ASN A 20 11.009 -15.478 2.272 1.00 0.00 O ATOM 307 ND2 ASN A 20 8.950 -16.207 1.727 1.00 0.00 N ATOM 0 H ASN A 20 8.206 -18.076 2.934 1.00 0.00 H new ATOM 0 HA ASN A 20 10.450 -19.807 2.178 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.850 -17.805 1.683 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.552 -18.001 0.521 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.515 -15.305 1.920 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.380 -16.990 1.407 1.00 0.00 H new ATOM 314 N PRO A 21 11.435 -19.310 4.435 1.00 0.00 N ATOM 315 CA PRO A 21 11.957 -19.195 5.780 1.00 0.00 C ATOM 316 C PRO A 21 13.052 -18.139 5.814 1.00 0.00 C ATOM 317 O PRO A 21 14.148 -18.435 6.289 1.00 0.00 O ATOM 318 CB PRO A 21 12.519 -20.578 6.101 1.00 0.00 C ATOM 319 CG PRO A 21 13.014 -21.038 4.728 1.00 0.00 C ATOM 320 CD PRO A 21 12.045 -20.414 3.726 1.00 0.00 C ATOM 0 HA PRO A 21 11.201 -18.892 6.505 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.326 -20.532 6.833 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.758 -21.245 6.506 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.036 -20.707 4.546 1.00 0.00 H new ATOM 0 HG3 PRO A 21 13.013 -22.125 4.653 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.567 -20.070 2.833 1.00 0.00 H new ATOM 0 HD3 PRO A 21 11.296 -21.135 3.399 1.00 0.00 H new ATOM 328 N MET A 22 12.746 -16.949 5.318 1.00 0.00 N ATOM 329 CA MET A 22 13.721 -15.872 5.301 1.00 0.00 C ATOM 330 C MET A 22 13.032 -14.508 5.376 1.00 0.00 C ATOM 331 O MET A 22 13.406 -13.550 4.704 1.00 0.00 O ATOM 332 CB MET A 22 14.552 -15.955 4.018 1.00 0.00 C ATOM 333 CG MET A 22 13.660 -15.851 2.780 1.00 0.00 C ATOM 334 SD MET A 22 14.612 -16.199 1.311 1.00 0.00 S ATOM 335 CE MET A 22 15.464 -14.642 1.117 1.00 0.00 C ATOM 0 H MET A 22 11.836 -16.707 4.925 1.00 0.00 H new ATOM 0 HA MET A 22 14.369 -15.979 6.171 1.00 0.00 H new ATOM 0 HB2 MET A 22 15.291 -15.154 4.007 1.00 0.00 H new ATOM 0 HB3 MET A 22 15.102 -16.896 3.997 1.00 0.00 H new ATOM 0 HG2 MET A 22 12.830 -16.553 2.860 1.00 0.00 H new ATOM 0 HG3 MET A 22 13.228 -14.852 2.715 1.00 0.00 H new ATOM 0 HE1 MET A 22 15.137 -14.161 0.195 1.00 0.00 H new ATOM 0 HE2 MET A 22 15.237 -13.995 1.964 1.00 0.00 H new ATOM 0 HE3 MET A 22 16.539 -14.818 1.073 1.00 0.00 H new ATOM 345 N TYR A 23 12.001 -14.443 6.221 1.00 0.00 N ATOM 346 CA TYR A 23 11.242 -13.222 6.406 1.00 0.00 C ATOM 347 C TYR A 23 10.635 -13.198 7.802 1.00 0.00 C ATOM 348 O TYR A 23 9.699 -13.955 8.056 1.00 0.00 O ATOM 349 CB TYR A 23 10.153 -13.136 5.341 1.00 0.00 C ATOM 350 CG TYR A 23 9.568 -11.752 5.188 1.00 0.00 C ATOM 351 CD1 TYR A 23 10.378 -10.691 4.766 1.00 0.00 C ATOM 352 CD2 TYR A 23 8.214 -11.530 5.469 1.00 0.00 C ATOM 353 CE1 TYR A 23 9.835 -9.409 4.625 1.00 0.00 C ATOM 354 CE2 TYR A 23 7.671 -10.248 5.328 1.00 0.00 C ATOM 355 CZ TYR A 23 8.482 -9.187 4.906 1.00 0.00 C ATOM 356 OH TYR A 23 7.953 -7.937 4.769 1.00 0.00 O ATOM 0 H TYR A 23 11.678 -15.229 6.786 1.00 0.00 H new ATOM 0 HA TYR A 23 11.901 -12.360 6.304 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.566 -13.455 4.384 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.354 -13.834 5.592 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.422 -10.862 4.549 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.589 -12.348 5.795 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.460 -8.591 4.299 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.627 -10.077 5.545 1.00 0.00 H new ATOM 0 HH TYR A 23 7.002 -7.957 5.003 1.00 0.00 H new ATOM 366 N GLU A 24 11.167 -12.345 8.665 1.00 0.00 N ATOM 367 CA GLU A 24 10.661 -12.243 10.024 1.00 0.00 C ATOM 368 C GLU A 24 9.568 -11.176 10.104 1.00 0.00 C ATOM 369 O GLU A 24 8.500 -11.416 10.666 1.00 0.00 O ATOM 370 CB GLU A 24 11.792 -11.944 11.009 1.00 0.00 C ATOM 371 CG GLU A 24 12.621 -13.199 11.289 1.00 0.00 C ATOM 372 CD GLU A 24 12.216 -13.839 12.618 1.00 0.00 C ATOM 373 OE1 GLU A 24 11.095 -14.392 12.664 1.00 0.00 O ATOM 374 OE2 GLU A 24 13.035 -13.762 13.559 1.00 0.00 O ATOM 0 H GLU A 24 11.943 -11.718 8.450 1.00 0.00 H new ATOM 0 HA GLU A 24 10.226 -13.203 10.302 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.435 -11.162 10.604 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.376 -11.563 11.942 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.486 -13.916 10.480 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.680 -12.942 11.313 1.00 0.00 H new ATOM 381 N ALA A 25 9.872 -10.019 9.534 1.00 0.00 N ATOM 382 CA ALA A 25 8.928 -8.914 9.533 1.00 0.00 C ATOM 383 C ALA A 25 9.249 -7.975 8.369 1.00 0.00 C ATOM 384 O ALA A 25 10.231 -8.140 7.649 1.00 0.00 O ATOM 385 CB ALA A 25 8.976 -8.202 10.887 1.00 0.00 C ATOM 0 H ALA A 25 10.759 -9.823 9.070 1.00 0.00 H new ATOM 0 HA ALA A 25 7.910 -9.278 9.391 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.268 -7.373 10.887 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.712 -8.905 11.677 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.982 -7.820 11.062 1.00 0.00 H new ATOM 391 N PRO A 26 8.385 -6.972 8.198 1.00 0.00 N ATOM 392 CA PRO A 26 8.495 -5.967 7.162 1.00 0.00 C ATOM 393 C PRO A 26 9.597 -4.981 7.523 1.00 0.00 C ATOM 394 O PRO A 26 10.339 -5.239 8.470 1.00 0.00 O ATOM 395 CB PRO A 26 7.132 -5.280 7.137 1.00 0.00 C ATOM 396 CG PRO A 26 6.185 -6.126 8.090 1.00 0.00 C ATOM 397 CD PRO A 26 7.219 -6.748 9.026 1.00 0.00 C ATOM 0 HA PRO A 26 8.750 -6.386 6.189 1.00 0.00 H new ATOM 0 HB2 PRO A 26 7.210 -4.249 7.483 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.733 -5.246 6.123 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.467 -5.502 8.621 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.613 -6.877 7.546 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.448 -6.083 9.859 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.853 -7.681 9.454 1.00 0.00 H new ATOM 405 N SER A 27 9.684 -3.890 6.777 1.00 0.00 N ATOM 406 CA SER A 27 10.702 -2.886 7.036 1.00 0.00 C ATOM 407 C SER A 27 10.099 -1.485 6.912 1.00 0.00 C ATOM 408 O SER A 27 9.043 -1.311 6.304 1.00 0.00 O ATOM 409 CB SER A 27 11.885 -3.040 6.078 1.00 0.00 C ATOM 410 OG SER A 27 13.080 -2.473 6.609 1.00 0.00 O ATOM 0 H SER A 27 9.066 -3.679 5.993 1.00 0.00 H new ATOM 0 HA SER A 27 11.071 -3.028 8.052 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.047 -4.097 5.869 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.647 -2.561 5.128 1.00 0.00 H new ATOM 0 HG SER A 27 13.812 -2.593 5.968 1.00 0.00 H new ATOM 416 N ILE A 28 10.794 -0.522 7.499 1.00 0.00 N ATOM 417 CA ILE A 28 10.340 0.858 7.462 1.00 0.00 C ATOM 418 C ILE A 28 11.344 1.700 6.672 1.00 0.00 C ATOM 419 O ILE A 28 11.453 2.906 6.886 1.00 0.00 O ATOM 420 CB ILE A 28 10.083 1.375 8.879 1.00 0.00 C ATOM 421 CG1 ILE A 28 11.399 1.658 9.606 1.00 0.00 C ATOM 422 CG2 ILE A 28 9.191 0.410 9.661 1.00 0.00 C ATOM 423 CD1 ILE A 28 11.340 2.995 10.347 1.00 0.00 C ATOM 0 H ILE A 28 11.668 -0.670 8.003 1.00 0.00 H new ATOM 0 HA ILE A 28 9.385 0.931 6.943 1.00 0.00 H new ATOM 0 HB ILE A 28 9.546 2.321 8.806 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.608 0.855 10.313 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.219 1.672 8.888 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.024 0.801 10.665 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.234 0.303 9.149 1.00 0.00 H new ATOM 0 HG23 ILE A 28 9.678 -0.563 9.727 1.00 0.00 H new ATOM 0 HD11 ILE A 28 12.288 3.172 10.855 1.00 0.00 H new ATOM 0 HD12 ILE A 28 11.155 3.798 9.634 1.00 0.00 H new ATOM 0 HD13 ILE A 28 10.534 2.969 11.081 1.00 0.00 H new ATOM 435 N THR A 29 12.054 1.030 5.776 1.00 0.00 N ATOM 436 CA THR A 29 13.046 1.702 4.953 1.00 0.00 C ATOM 437 C THR A 29 13.172 1.007 3.596 1.00 0.00 C ATOM 438 O THR A 29 14.267 0.911 3.043 1.00 0.00 O ATOM 439 CB THR A 29 14.359 1.747 5.738 1.00 0.00 C ATOM 440 OG1 THR A 29 14.015 2.407 6.953 1.00 0.00 O ATOM 441 CG2 THR A 29 15.395 2.669 5.092 1.00 0.00 C ATOM 0 H THR A 29 11.962 0.029 5.602 1.00 0.00 H new ATOM 0 HA THR A 29 12.748 2.727 4.731 1.00 0.00 H new ATOM 0 HB THR A 29 14.769 0.740 5.818 1.00 0.00 H new ATOM 0 HG1 THR A 29 14.809 2.478 7.523 1.00 0.00 H new ATOM 0 HG21 THR A 29 16.308 2.665 5.688 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.618 2.317 4.085 1.00 0.00 H new ATOM 0 HG23 THR A 29 14.999 3.683 5.042 1.00 0.00 H new ATOM 449 N ASP A 30 12.036 0.540 3.098 1.00 0.00 N ATOM 450 CA ASP A 30 12.006 -0.143 1.816 1.00 0.00 C ATOM 451 C ASP A 30 10.691 0.178 1.103 1.00 0.00 C ATOM 452 O ASP A 30 10.684 0.474 -0.091 1.00 0.00 O ATOM 453 CB ASP A 30 12.087 -1.660 1.998 1.00 0.00 C ATOM 454 CG ASP A 30 12.045 -2.470 0.701 1.00 0.00 C ATOM 455 OD1 ASP A 30 10.948 -2.530 0.105 1.00 0.00 O ATOM 456 OD2 ASP A 30 13.110 -3.011 0.335 1.00 0.00 O ATOM 0 H ASP A 30 11.130 0.621 3.559 1.00 0.00 H new ATOM 0 HA ASP A 30 12.862 0.196 1.233 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.009 -1.898 2.528 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.262 -1.979 2.635 1.00 0.00 H new ATOM 461 N GLY A 31 9.609 0.109 1.865 1.00 0.00 N ATOM 462 CA GLY A 31 8.291 0.389 1.321 1.00 0.00 C ATOM 463 C GLY A 31 8.297 1.686 0.511 1.00 0.00 C ATOM 464 O GLY A 31 7.441 1.889 -0.349 1.00 0.00 O ATOM 0 H GLY A 31 9.618 -0.137 2.855 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.972 -0.438 0.687 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.567 0.466 2.133 1.00 0.00 H new ATOM 468 N LYS A 32 9.271 2.532 0.814 1.00 0.00 N ATOM 469 CA LYS A 32 9.399 3.805 0.125 1.00 0.00 C ATOM 470 C LYS A 32 9.913 3.561 -1.295 1.00 0.00 C ATOM 471 O LYS A 32 9.518 4.257 -2.230 1.00 0.00 O ATOM 472 CB LYS A 32 10.267 4.768 0.936 1.00 0.00 C ATOM 473 CG LYS A 32 11.639 4.157 1.228 1.00 0.00 C ATOM 474 CD LYS A 32 12.762 5.078 0.747 1.00 0.00 C ATOM 475 CE LYS A 32 13.109 6.122 1.810 1.00 0.00 C ATOM 476 NZ LYS A 32 14.322 5.719 2.556 1.00 0.00 N ATOM 0 H LYS A 32 9.979 2.361 1.528 1.00 0.00 H new ATOM 0 HA LYS A 32 8.427 4.289 0.034 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.390 5.702 0.387 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.767 5.012 1.873 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.742 3.980 2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.722 3.188 0.735 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.646 4.486 0.511 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.458 5.578 -0.173 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.271 7.091 1.337 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.273 6.239 2.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.543 6.439 3.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.155 4.805 3.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.121 5.630 1.897 1.00 0.00 H new ATOM 490 N ILE A 33 10.785 2.571 -1.413 1.00 0.00 N ATOM 491 CA ILE A 33 11.357 2.227 -2.704 1.00 0.00 C ATOM 492 C ILE A 33 10.284 1.568 -3.573 1.00 0.00 C ATOM 493 O ILE A 33 10.017 2.020 -4.685 1.00 0.00 O ATOM 494 CB ILE A 33 12.613 1.372 -2.523 1.00 0.00 C ATOM 495 CG1 ILE A 33 13.724 2.168 -1.836 1.00 0.00 C ATOM 496 CG2 ILE A 33 13.071 0.782 -3.857 1.00 0.00 C ATOM 497 CD1 ILE A 33 14.675 1.240 -1.077 1.00 0.00 C ATOM 0 H ILE A 33 11.110 1.996 -0.636 1.00 0.00 H new ATOM 0 HA ILE A 33 11.684 3.125 -3.227 1.00 0.00 H new ATOM 0 HB ILE A 33 12.366 0.536 -1.869 1.00 0.00 H new ATOM 0 HG12 ILE A 33 14.282 2.737 -2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 33 13.286 2.889 -1.146 1.00 0.00 H new ATOM 0 HG21 ILE A 33 13.965 0.179 -3.700 1.00 0.00 H new ATOM 0 HG22 ILE A 33 12.279 0.157 -4.269 1.00 0.00 H new ATOM 0 HG23 ILE A 33 13.296 1.589 -4.554 1.00 0.00 H new ATOM 0 HD11 ILE A 33 15.455 1.831 -0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 33 14.118 0.691 -0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 33 15.130 0.536 -1.774 1.00 0.00 H new ATOM 509 N PHE A 34 9.698 0.510 -3.032 1.00 0.00 N ATOM 510 CA PHE A 34 8.660 -0.216 -3.744 1.00 0.00 C ATOM 511 C PHE A 34 7.469 0.692 -4.053 1.00 0.00 C ATOM 512 O PHE A 34 6.604 0.338 -4.853 1.00 0.00 O ATOM 513 CB PHE A 34 8.198 -1.350 -2.828 1.00 0.00 C ATOM 514 CG PHE A 34 6.889 -2.010 -3.266 1.00 0.00 C ATOM 515 CD1 PHE A 34 6.827 -2.678 -4.449 1.00 0.00 C ATOM 516 CD2 PHE A 34 5.788 -1.929 -2.472 1.00 0.00 C ATOM 517 CE1 PHE A 34 5.612 -3.291 -4.855 1.00 0.00 C ATOM 518 CE2 PHE A 34 4.573 -2.542 -2.878 1.00 0.00 C ATOM 519 CZ PHE A 34 4.511 -3.210 -4.061 1.00 0.00 C ATOM 0 H PHE A 34 9.922 0.138 -2.109 1.00 0.00 H new ATOM 0 HA PHE A 34 9.051 -0.591 -4.690 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.979 -2.109 -2.785 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.076 -0.960 -1.817 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.701 -2.742 -5.080 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.838 -1.398 -1.533 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.562 -3.822 -5.794 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.699 -2.478 -2.247 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.587 -3.676 -4.370 1.00 0.00 H new ATOM 529 N PHE A 35 7.461 1.847 -3.402 1.00 0.00 N ATOM 530 CA PHE A 35 6.390 2.809 -3.596 1.00 0.00 C ATOM 531 C PHE A 35 6.904 4.067 -4.299 1.00 0.00 C ATOM 532 O PHE A 35 6.161 5.030 -4.477 1.00 0.00 O ATOM 533 CB PHE A 35 5.873 3.190 -2.207 1.00 0.00 C ATOM 534 CG PHE A 35 4.790 4.270 -2.221 1.00 0.00 C ATOM 535 CD1 PHE A 35 3.521 3.955 -2.599 1.00 0.00 C ATOM 536 CD2 PHE A 35 5.094 5.544 -1.856 1.00 0.00 C ATOM 537 CE1 PHE A 35 2.516 4.957 -2.612 1.00 0.00 C ATOM 538 CE2 PHE A 35 4.089 6.546 -1.869 1.00 0.00 C ATOM 539 CZ PHE A 35 2.820 6.232 -2.247 1.00 0.00 C ATOM 0 H PHE A 35 8.180 2.138 -2.739 1.00 0.00 H new ATOM 0 HA PHE A 35 5.606 2.373 -4.216 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.476 2.299 -1.721 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.710 3.537 -1.602 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.279 2.943 -2.889 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.101 5.794 -1.556 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.509 4.707 -2.912 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.331 7.558 -1.579 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.055 6.994 -2.257 1.00 0.00 H new ATOM 549 N ASN A 36 8.172 4.017 -4.680 1.00 0.00 N ATOM 550 CA ASN A 36 8.794 5.141 -5.360 1.00 0.00 C ATOM 551 C ASN A 36 9.703 4.618 -6.474 1.00 0.00 C ATOM 552 O ASN A 36 10.636 5.302 -6.891 1.00 0.00 O ATOM 553 CB ASN A 36 9.652 5.961 -4.395 1.00 0.00 C ATOM 554 CG ASN A 36 8.791 6.604 -3.306 1.00 0.00 C ATOM 555 OD1 ASN A 36 7.572 6.578 -3.346 1.00 0.00 O ATOM 556 ND2 ASN A 36 9.491 7.180 -2.333 1.00 0.00 N ATOM 0 H ASN A 36 8.786 3.216 -4.531 1.00 0.00 H new ATOM 0 HA ASN A 36 8.002 5.772 -5.764 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.405 5.319 -3.937 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.186 6.735 -4.946 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.008 7.636 -1.559 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.511 7.166 -2.361 1.00 0.00 H new ATOM 563 N ARG A 37 9.399 3.409 -6.924 1.00 0.00 N ATOM 564 CA ARG A 37 10.177 2.787 -7.981 1.00 0.00 C ATOM 565 C ARG A 37 9.397 2.809 -9.298 1.00 0.00 C ATOM 566 O ARG A 37 8.540 1.958 -9.530 1.00 0.00 O ATOM 567 CB ARG A 37 10.527 1.340 -7.628 1.00 0.00 C ATOM 568 CG ARG A 37 11.675 0.825 -8.500 1.00 0.00 C ATOM 569 CD ARG A 37 12.373 -0.366 -7.841 1.00 0.00 C ATOM 570 NE ARG A 37 12.523 -1.468 -8.816 1.00 0.00 N ATOM 571 CZ ARG A 37 13.437 -1.486 -9.796 1.00 0.00 C ATOM 572 NH1 ARG A 37 14.288 -0.460 -9.936 1.00 0.00 N ATOM 573 NH2 ARG A 37 13.500 -2.528 -10.635 1.00 0.00 N ATOM 0 H ARG A 37 8.624 2.844 -6.576 1.00 0.00 H new ATOM 0 HA ARG A 37 11.100 3.356 -8.092 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.807 1.276 -6.577 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.650 0.707 -7.763 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.291 0.531 -9.477 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.395 1.625 -8.669 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.352 -0.064 -7.468 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.796 -0.706 -6.981 1.00 0.00 H new ATOM 0 HE ARG A 37 11.891 -2.265 -8.738 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.240 0.334 -9.297 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.984 -0.473 -10.682 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.852 -3.309 -10.528 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.196 -2.541 -11.381 1.00 0.00 H new ATOM 587 N LYS A 38 9.722 3.791 -10.125 1.00 0.00 N ATOM 588 CA LYS A 38 9.063 3.936 -11.412 1.00 0.00 C ATOM 589 C LYS A 38 9.118 2.602 -12.160 1.00 0.00 C ATOM 590 O LYS A 38 10.108 2.299 -12.824 1.00 0.00 O ATOM 591 CB LYS A 38 9.665 5.105 -12.194 1.00 0.00 C ATOM 592 CG LYS A 38 9.083 5.176 -13.607 1.00 0.00 C ATOM 593 CD LYS A 38 10.109 5.737 -14.594 1.00 0.00 C ATOM 594 CE LYS A 38 10.798 6.977 -14.024 1.00 0.00 C ATOM 595 NZ LYS A 38 12.123 7.171 -14.655 1.00 0.00 N ATOM 0 H LYS A 38 10.434 4.495 -9.929 1.00 0.00 H new ATOM 0 HA LYS A 38 8.010 4.183 -11.276 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.468 6.039 -11.668 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.748 4.992 -12.248 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.772 4.181 -13.926 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.192 5.804 -13.606 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.854 4.975 -14.821 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.615 5.990 -15.532 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.176 7.856 -14.193 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.914 6.872 -12.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.577 8.017 -14.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.720 6.339 -14.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.004 7.293 -15.681 1.00 0.00 H new ATOM 609 N PHE A 39 8.042 1.841 -12.028 1.00 0.00 N ATOM 610 CA PHE A 39 7.955 0.547 -12.683 1.00 0.00 C ATOM 611 C PHE A 39 7.143 0.641 -13.977 1.00 0.00 C ATOM 612 O PHE A 39 6.437 1.623 -14.200 1.00 0.00 O ATOM 613 CB PHE A 39 7.241 -0.398 -11.715 1.00 0.00 C ATOM 614 CG PHE A 39 5.893 0.126 -11.214 1.00 0.00 C ATOM 615 CD1 PHE A 39 4.791 0.031 -12.005 1.00 0.00 C ATOM 616 CD2 PHE A 39 5.798 0.686 -9.979 1.00 0.00 C ATOM 617 CE1 PHE A 39 3.540 0.517 -11.540 1.00 0.00 C ATOM 618 CE2 PHE A 39 4.548 1.172 -9.514 1.00 0.00 C ATOM 619 CZ PHE A 39 3.445 1.078 -10.305 1.00 0.00 C ATOM 0 H PHE A 39 7.222 2.096 -11.477 1.00 0.00 H new ATOM 0 HA PHE A 39 8.953 0.191 -12.937 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.086 -1.357 -12.208 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.889 -0.581 -10.858 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.867 -0.414 -12.986 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.674 0.761 -9.351 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.664 0.441 -12.167 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.473 1.616 -8.533 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.494 1.449 -9.952 1.00 0.00 H new ATOM 629 N LYS A 40 7.272 -0.393 -14.795 1.00 0.00 N ATOM 630 CA LYS A 40 6.559 -0.439 -16.061 1.00 0.00 C ATOM 631 C LYS A 40 5.386 -1.414 -15.945 1.00 0.00 C ATOM 632 O LYS A 40 5.462 -2.398 -15.211 1.00 0.00 O ATOM 633 CB LYS A 40 7.520 -0.766 -17.205 1.00 0.00 C ATOM 634 CG LYS A 40 8.525 0.368 -17.419 1.00 0.00 C ATOM 635 CD LYS A 40 8.559 0.802 -18.885 1.00 0.00 C ATOM 636 CE LYS A 40 9.491 -0.095 -19.701 1.00 0.00 C ATOM 637 NZ LYS A 40 8.728 -1.189 -20.343 1.00 0.00 N ATOM 0 H LYS A 40 7.859 -1.205 -14.606 1.00 0.00 H new ATOM 0 HA LYS A 40 6.139 0.539 -16.298 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.052 -1.691 -16.984 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.955 -0.934 -18.122 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.259 1.218 -16.791 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.518 0.042 -17.110 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.553 0.763 -19.303 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.893 1.837 -18.954 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.000 0.496 -20.462 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.262 -0.513 -19.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.371 -1.768 -20.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.290 -1.783 -19.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.986 -0.785 -20.950 1.00 0.00 H new ATOM 651 N THR A 41 4.328 -1.107 -16.681 1.00 0.00 N ATOM 652 CA THR A 41 3.140 -1.944 -16.670 1.00 0.00 C ATOM 653 C THR A 41 3.060 -2.773 -17.953 1.00 0.00 C ATOM 654 O THR A 41 3.588 -2.407 -19.000 1.00 0.00 O ATOM 655 CB THR A 41 1.926 -1.039 -16.455 1.00 0.00 C ATOM 656 OG1 THR A 41 1.895 -0.217 -17.618 1.00 0.00 O ATOM 657 CG2 THR A 41 2.129 -0.049 -15.305 1.00 0.00 C ATOM 0 H THR A 41 4.269 -0.290 -17.289 1.00 0.00 H new ATOM 0 HA THR A 41 3.173 -2.667 -15.855 1.00 0.00 H new ATOM 0 HB THR A 41 1.048 -1.653 -16.255 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.864 0.726 -17.352 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.238 0.569 -15.195 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.306 -0.597 -14.380 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.988 0.587 -15.520 1.00 0.00 H new ATOM 665 N PRO A 42 2.378 -3.916 -17.845 1.00 0.00 N ATOM 666 CA PRO A 42 2.176 -4.851 -18.931 1.00 0.00 C ATOM 667 C PRO A 42 1.280 -4.220 -19.987 1.00 0.00 C ATOM 668 O PRO A 42 1.069 -4.836 -21.031 1.00 0.00 O ATOM 669 CB PRO A 42 1.497 -6.058 -18.286 1.00 0.00 C ATOM 670 CG PRO A 42 0.709 -5.401 -17.087 1.00 0.00 C ATOM 671 CD PRO A 42 1.745 -4.377 -16.628 1.00 0.00 C ATOM 0 HA PRO A 42 3.104 -5.132 -19.428 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.829 -6.568 -18.980 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.221 -6.796 -17.941 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.225 -4.937 -17.405 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.458 -6.120 -16.307 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.275 -3.553 -16.091 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.471 -4.826 -15.951 1.00 0.00 H new ATOM 679 N SER A 43 0.777 -3.028 -19.704 1.00 0.00 N ATOM 680 CA SER A 43 -0.092 -2.340 -20.644 1.00 0.00 C ATOM 681 C SER A 43 0.661 -1.181 -21.301 1.00 0.00 C ATOM 682 O SER A 43 0.052 -0.198 -21.720 1.00 0.00 O ATOM 683 CB SER A 43 -1.356 -1.827 -19.952 1.00 0.00 C ATOM 684 OG SER A 43 -1.233 -0.463 -19.558 1.00 0.00 O ATOM 0 H SER A 43 0.954 -2.521 -18.837 1.00 0.00 H new ATOM 0 HA SER A 43 -0.395 -3.051 -21.413 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.207 -1.935 -20.625 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.564 -2.440 -19.075 1.00 0.00 H new ATOM 0 HG SER A 43 -1.069 0.092 -20.349 1.00 0.00 H new ATOM 690 N GLY A 44 1.975 -1.335 -21.370 1.00 0.00 N ATOM 691 CA GLY A 44 2.818 -0.314 -21.969 1.00 0.00 C ATOM 692 C GLY A 44 2.439 1.078 -21.458 1.00 0.00 C ATOM 693 O GLY A 44 1.743 1.826 -22.143 1.00 0.00 O ATOM 0 H GLY A 44 2.477 -2.152 -21.021 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.863 -0.518 -21.737 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.720 -0.346 -23.054 1.00 0.00 H new ATOM 697 N LYS A 45 2.915 1.383 -20.260 1.00 0.00 N ATOM 698 CA LYS A 45 2.635 2.672 -19.650 1.00 0.00 C ATOM 699 C LYS A 45 3.232 2.705 -18.241 1.00 0.00 C ATOM 700 O LYS A 45 2.609 2.239 -17.288 1.00 0.00 O ATOM 701 CB LYS A 45 1.135 2.968 -19.689 1.00 0.00 C ATOM 702 CG LYS A 45 0.793 4.182 -18.822 1.00 0.00 C ATOM 703 CD LYS A 45 0.284 5.343 -19.679 1.00 0.00 C ATOM 704 CE LYS A 45 -0.744 6.179 -18.915 1.00 0.00 C ATOM 705 NZ LYS A 45 -1.640 6.887 -19.857 1.00 0.00 N ATOM 0 H LYS A 45 3.493 0.760 -19.695 1.00 0.00 H new ATOM 0 HA LYS A 45 3.110 3.473 -20.217 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.824 3.152 -20.717 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.580 2.098 -19.338 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.035 3.907 -18.088 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.676 4.496 -18.266 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.121 5.974 -19.977 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.165 4.955 -20.594 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.331 5.535 -18.260 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.233 6.901 -18.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.332 7.450 -19.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.078 7.516 -20.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.141 6.193 -20.447 1.00 0.00 H new ATOM 719 N GLU A 46 4.432 3.260 -18.154 1.00 0.00 N ATOM 720 CA GLU A 46 5.120 3.360 -16.878 1.00 0.00 C ATOM 721 C GLU A 46 4.220 4.037 -15.842 1.00 0.00 C ATOM 722 O GLU A 46 3.325 4.801 -16.197 1.00 0.00 O ATOM 723 CB GLU A 46 6.445 4.109 -17.027 1.00 0.00 C ATOM 724 CG GLU A 46 6.207 5.601 -17.270 1.00 0.00 C ATOM 725 CD GLU A 46 6.987 6.451 -16.264 1.00 0.00 C ATOM 726 OE1 GLU A 46 6.640 6.374 -15.066 1.00 0.00 O ATOM 727 OE2 GLU A 46 7.913 7.158 -16.717 1.00 0.00 O ATOM 0 H GLU A 46 4.946 3.645 -18.947 1.00 0.00 H new ATOM 0 HA GLU A 46 5.348 2.353 -16.530 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.046 3.975 -16.128 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.014 3.688 -17.856 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.511 5.861 -18.284 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.142 5.821 -17.190 1.00 0.00 H new ATOM 734 N ALA A 47 4.490 3.731 -14.582 1.00 0.00 N ATOM 735 CA ALA A 47 3.717 4.300 -13.491 1.00 0.00 C ATOM 736 C ALA A 47 4.458 4.074 -12.173 1.00 0.00 C ATOM 737 O ALA A 47 5.506 3.430 -12.148 1.00 0.00 O ATOM 738 CB ALA A 47 2.315 3.687 -13.485 1.00 0.00 C ATOM 0 H ALA A 47 5.234 3.096 -14.292 1.00 0.00 H new ATOM 0 HA ALA A 47 3.602 5.376 -13.623 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.735 4.114 -12.667 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.820 3.902 -14.432 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.390 2.608 -13.352 1.00 0.00 H new ATOM 744 N ALA A 48 3.885 4.615 -11.108 1.00 0.00 N ATOM 745 CA ALA A 48 4.479 4.479 -9.788 1.00 0.00 C ATOM 746 C ALA A 48 3.387 4.615 -8.726 1.00 0.00 C ATOM 747 O ALA A 48 2.358 5.246 -8.965 1.00 0.00 O ATOM 748 CB ALA A 48 5.590 5.518 -9.619 1.00 0.00 C ATOM 0 H ALA A 48 3.016 5.148 -11.132 1.00 0.00 H new ATOM 0 HA ALA A 48 4.932 3.495 -9.670 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.036 5.416 -8.629 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.355 5.360 -10.379 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.172 6.519 -9.728 1.00 0.00 H new ATOM 754 N CYS A 49 3.648 4.014 -7.574 1.00 0.00 N ATOM 755 CA CYS A 49 2.699 4.061 -6.474 1.00 0.00 C ATOM 756 C CYS A 49 2.608 5.505 -5.979 1.00 0.00 C ATOM 757 O CYS A 49 1.729 5.839 -5.186 1.00 0.00 O ATOM 758 CB CYS A 49 3.088 3.096 -5.352 1.00 0.00 C ATOM 759 SG CYS A 49 3.318 1.359 -5.879 1.00 0.00 S ATOM 0 H CYS A 49 4.502 3.492 -7.379 1.00 0.00 H new ATOM 0 HA CYS A 49 1.718 3.736 -6.821 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.013 3.447 -4.894 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.318 3.128 -4.581 1.00 0.00 H new ATOM 0 HG CYS A 49 4.501 0.952 -5.527 1.00 0.00 H new ATOM 764 N ALA A 50 3.528 6.324 -6.468 1.00 0.00 N ATOM 765 CA ALA A 50 3.562 7.725 -6.085 1.00 0.00 C ATOM 766 C ALA A 50 3.039 8.578 -7.241 1.00 0.00 C ATOM 767 O ALA A 50 3.096 9.806 -7.188 1.00 0.00 O ATOM 768 CB ALA A 50 4.986 8.108 -5.676 1.00 0.00 C ATOM 0 H ALA A 50 4.255 6.044 -7.126 1.00 0.00 H new ATOM 0 HA ALA A 50 2.916 7.903 -5.225 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.012 9.159 -5.389 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.300 7.493 -4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.662 7.945 -6.515 1.00 0.00 H new ATOM 774 N SER A 51 2.539 7.895 -8.260 1.00 0.00 N ATOM 775 CA SER A 51 2.005 8.575 -9.428 1.00 0.00 C ATOM 776 C SER A 51 0.622 9.149 -9.113 1.00 0.00 C ATOM 777 O SER A 51 0.233 10.178 -9.663 1.00 0.00 O ATOM 778 CB SER A 51 1.926 7.629 -10.628 1.00 0.00 C ATOM 779 OG SER A 51 0.984 6.580 -10.420 1.00 0.00 O ATOM 0 H SER A 51 2.492 6.877 -8.301 1.00 0.00 H new ATOM 0 HA SER A 51 2.680 9.391 -9.687 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.648 8.194 -11.518 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.910 7.200 -10.817 1.00 0.00 H new ATOM 0 HG SER A 51 1.247 6.055 -9.636 1.00 0.00 H new ATOM 785 N CYS A 52 -0.082 8.459 -8.228 1.00 0.00 N ATOM 786 CA CYS A 52 -1.413 8.887 -7.833 1.00 0.00 C ATOM 787 C CYS A 52 -1.389 9.213 -6.338 1.00 0.00 C ATOM 788 O CYS A 52 -1.914 10.238 -5.908 1.00 0.00 O ATOM 789 CB CYS A 52 -2.470 7.833 -8.170 1.00 0.00 C ATOM 790 SG CYS A 52 -2.431 7.458 -9.961 1.00 0.00 S ATOM 0 H CYS A 52 0.244 7.606 -7.773 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.692 9.779 -8.394 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.286 6.925 -7.596 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.459 8.194 -7.887 1.00 0.00 H new ATOM 0 HG CYS A 52 -1.231 7.093 -10.302 1.00 0.00 H new ATOM 795 N HIS A 53 -0.768 8.313 -5.575 1.00 0.00 N ATOM 796 CA HIS A 53 -0.644 8.452 -4.128 1.00 0.00 C ATOM 797 C HIS A 53 0.574 9.331 -3.793 1.00 0.00 C ATOM 798 O HIS A 53 1.012 9.369 -2.644 1.00 0.00 O ATOM 799 CB HIS A 53 -0.607 7.052 -3.496 1.00 0.00 C ATOM 800 CG HIS A 53 -1.717 6.102 -3.882 1.00 0.00 C ATOM 801 ND1 HIS A 53 -3.009 6.392 -3.699 1.00 0.00 N ATOM 802 CD2 HIS A 53 -1.682 4.852 -4.451 1.00 0.00 C ATOM 803 CE1 HIS A 53 -3.750 5.363 -4.136 1.00 0.00 C ATOM 804 NE2 HIS A 53 -2.981 4.384 -4.611 1.00 0.00 N ATOM 0 H HIS A 53 -0.337 7.466 -5.946 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.505 8.965 -3.700 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.344 6.587 -3.755 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.620 7.168 -2.412 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -3.372 7.255 -3.293 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.786 4.317 -4.730 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.829 5.332 -4.107 1.00 0.00 H new ATOM 812 N THR A 54 1.081 10.011 -4.811 1.00 0.00 N ATOM 813 CA THR A 54 2.231 10.880 -4.632 1.00 0.00 C ATOM 814 C THR A 54 3.358 10.134 -3.915 1.00 0.00 C ATOM 815 O THR A 54 3.159 9.021 -3.429 1.00 0.00 O ATOM 816 CB THR A 54 1.765 12.134 -3.890 1.00 0.00 C ATOM 817 OG1 THR A 54 1.253 11.638 -2.657 1.00 0.00 O ATOM 818 CG2 THR A 54 0.556 12.794 -4.557 1.00 0.00 C ATOM 0 H THR A 54 0.716 9.977 -5.763 1.00 0.00 H new ATOM 0 HA THR A 54 2.647 11.188 -5.592 1.00 0.00 H new ATOM 0 HB THR A 54 2.586 12.850 -3.836 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.718 10.808 -2.420 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.266 13.679 -3.991 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.815 13.084 -5.575 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.276 12.090 -4.581 1.00 0.00 H new ATOM 826 N ASN A 55 4.516 10.775 -3.872 1.00 0.00 N ATOM 827 CA ASN A 55 5.674 10.186 -3.223 1.00 0.00 C ATOM 828 C ASN A 55 5.314 9.818 -1.782 1.00 0.00 C ATOM 829 O ASN A 55 5.966 8.972 -1.172 1.00 0.00 O ATOM 830 CB ASN A 55 6.844 11.172 -3.181 1.00 0.00 C ATOM 831 CG ASN A 55 6.393 12.534 -2.651 1.00 0.00 C ATOM 832 OD1 ASN A 55 6.247 12.748 -1.459 1.00 0.00 O ATOM 833 ND2 ASN A 55 6.181 13.441 -3.600 1.00 0.00 N ATOM 0 H ASN A 55 4.677 11.697 -4.276 1.00 0.00 H new ATOM 0 HA ASN A 55 5.966 9.304 -3.792 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.636 10.775 -2.547 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.263 11.287 -4.180 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.877 14.382 -3.348 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.322 13.196 -4.580 1.00 0.00 H new ATOM 840 N ASN A 56 4.276 10.471 -1.281 1.00 0.00 N ATOM 841 CA ASN A 56 3.821 10.223 0.077 1.00 0.00 C ATOM 842 C ASN A 56 2.310 9.981 0.068 1.00 0.00 C ATOM 843 O ASN A 56 1.523 10.788 -0.422 1.00 0.00 O ATOM 844 CB ASN A 56 4.102 11.426 0.980 1.00 0.00 C ATOM 845 CG ASN A 56 5.062 11.050 2.111 1.00 0.00 C ATOM 846 OD1 ASN A 56 4.665 10.605 3.175 1.00 0.00 O ATOM 847 ND2 ASN A 56 6.344 11.253 1.822 1.00 0.00 N ATOM 0 H ASN A 56 3.737 11.171 -1.791 1.00 0.00 H new ATOM 0 HA ASN A 56 4.356 9.353 0.458 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.529 12.236 0.390 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.167 11.796 1.400 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.063 11.033 2.511 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.608 11.629 0.911 1.00 0.00 H new ATOM 854 N PRO A 57 1.919 8.835 0.629 1.00 0.00 N ATOM 855 CA PRO A 57 0.541 8.406 0.731 1.00 0.00 C ATOM 856 C PRO A 57 -0.181 9.249 1.772 1.00 0.00 C ATOM 857 O PRO A 57 -1.298 9.693 1.507 1.00 0.00 O ATOM 858 CB PRO A 57 0.617 6.944 1.168 1.00 0.00 C ATOM 859 CG PRO A 57 1.911 6.894 1.970 1.00 0.00 C ATOM 860 CD PRO A 57 2.817 7.864 1.214 1.00 0.00 C ATOM 0 HA PRO A 57 -0.008 8.517 -0.204 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.244 6.658 1.772 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.645 6.268 0.313 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.758 7.205 3.003 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.330 5.888 1.999 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.532 8.341 1.885 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.395 7.348 0.447 1.00 0.00 H new ATOM 868 N ALA A 58 0.454 9.452 2.917 1.00 0.00 N ATOM 869 CA ALA A 58 -0.148 10.242 3.977 1.00 0.00 C ATOM 870 C ALA A 58 -0.522 11.621 3.430 1.00 0.00 C ATOM 871 O ALA A 58 -1.326 12.333 4.030 1.00 0.00 O ATOM 872 CB ALA A 58 0.817 10.326 5.161 1.00 0.00 C ATOM 0 H ALA A 58 1.380 9.083 3.134 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.063 9.771 4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.366 10.919 5.957 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.027 9.322 5.531 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.746 10.797 4.840 1.00 0.00 H new ATOM 878 N ASN A 59 0.079 11.956 2.298 1.00 0.00 N ATOM 879 CA ASN A 59 -0.181 13.238 1.664 1.00 0.00 C ATOM 880 C ASN A 59 -1.421 13.119 0.775 1.00 0.00 C ATOM 881 O ASN A 59 -1.948 12.025 0.581 1.00 0.00 O ATOM 882 CB ASN A 59 0.994 13.664 0.782 1.00 0.00 C ATOM 883 CG ASN A 59 1.041 15.186 0.629 1.00 0.00 C ATOM 884 OD1 ASN A 59 0.051 15.882 0.782 1.00 0.00 O ATOM 885 ND2 ASN A 59 2.244 15.661 0.319 1.00 0.00 N ATOM 0 H ASN A 59 0.745 11.363 1.803 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.330 13.979 2.449 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.928 13.310 1.218 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.904 13.199 -0.200 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.380 16.664 0.195 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.031 15.022 0.205 1.00 0.00 H new ATOM 892 N VAL A 60 -1.850 14.262 0.259 1.00 0.00 N ATOM 893 CA VAL A 60 -3.018 14.300 -0.605 1.00 0.00 C ATOM 894 C VAL A 60 -2.633 13.801 -1.999 1.00 0.00 C ATOM 895 O VAL A 60 -1.764 14.379 -2.650 1.00 0.00 O ATOM 896 CB VAL A 60 -3.614 15.709 -0.617 1.00 0.00 C ATOM 897 CG1 VAL A 60 -4.744 15.818 -1.643 1.00 0.00 C ATOM 898 CG2 VAL A 60 -4.098 16.112 0.777 1.00 0.00 C ATOM 0 H VAL A 60 -1.410 15.168 0.422 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.795 13.636 -0.226 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.827 16.403 -0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.150 16.829 -1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.356 15.595 -2.637 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.532 15.108 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.517 17.118 0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.863 15.412 1.113 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.259 16.094 1.473 1.00 0.00 H new ATOM 908 N GLY A 61 -3.297 12.734 -2.415 1.00 0.00 N ATOM 909 CA GLY A 61 -3.036 12.151 -3.720 1.00 0.00 C ATOM 910 C GLY A 61 -3.940 12.768 -4.788 1.00 0.00 C ATOM 911 O GLY A 61 -4.701 13.693 -4.504 1.00 0.00 O ATOM 0 H GLY A 61 -4.016 12.257 -1.871 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.991 12.306 -3.989 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.198 11.074 -3.680 1.00 0.00 H new ATOM 915 N LYS A 62 -3.829 12.233 -5.995 1.00 0.00 N ATOM 916 CA LYS A 62 -4.627 12.719 -7.107 1.00 0.00 C ATOM 917 C LYS A 62 -4.690 11.644 -8.193 1.00 0.00 C ATOM 918 O LYS A 62 -3.681 11.015 -8.508 1.00 0.00 O ATOM 919 CB LYS A 62 -4.092 14.064 -7.603 1.00 0.00 C ATOM 920 CG LYS A 62 -4.783 14.484 -8.902 1.00 0.00 C ATOM 921 CD LYS A 62 -4.190 15.787 -9.442 1.00 0.00 C ATOM 922 CE LYS A 62 -4.461 16.951 -8.487 1.00 0.00 C ATOM 923 NZ LYS A 62 -5.395 17.920 -9.103 1.00 0.00 N ATOM 0 H LYS A 62 -3.197 11.466 -6.227 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.651 12.908 -6.786 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.250 14.826 -6.840 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.016 13.994 -7.765 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.676 13.695 -9.647 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.851 14.612 -8.725 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.115 15.671 -9.583 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.618 16.007 -10.420 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.881 16.574 -7.555 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.524 17.449 -8.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.568 18.704 -8.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.980 18.293 -9.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.294 17.445 -9.320 1.00 0.00 H new ATOM 937 N ASN A 63 -5.886 11.466 -8.736 1.00 0.00 N ATOM 938 CA ASN A 63 -6.094 10.477 -9.781 1.00 0.00 C ATOM 939 C ASN A 63 -5.789 11.108 -11.141 1.00 0.00 C ATOM 940 O ASN A 63 -6.277 12.193 -11.450 1.00 0.00 O ATOM 941 CB ASN A 63 -7.545 9.992 -9.799 1.00 0.00 C ATOM 942 CG ASN A 63 -7.798 8.978 -8.682 1.00 0.00 C ATOM 943 OD1 ASN A 63 -6.885 8.413 -8.103 1.00 0.00 O ATOM 944 ND2 ASN A 63 -9.085 8.779 -8.413 1.00 0.00 N ATOM 0 H ASN A 63 -6.721 11.990 -8.472 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.434 9.632 -9.583 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.218 10.842 -9.683 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.769 9.538 -10.764 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.358 8.120 -7.684 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.800 9.285 -8.936 1.00 0.00 H new ATOM 951 N ILE A 64 -4.983 10.399 -11.918 1.00 0.00 N ATOM 952 CA ILE A 64 -4.607 10.875 -13.239 1.00 0.00 C ATOM 953 C ILE A 64 -5.687 10.476 -14.246 1.00 0.00 C ATOM 954 O ILE A 64 -5.509 10.644 -15.452 1.00 0.00 O ATOM 955 CB ILE A 64 -3.208 10.380 -13.608 1.00 0.00 C ATOM 956 CG1 ILE A 64 -3.257 8.950 -14.150 1.00 0.00 C ATOM 957 CG2 ILE A 64 -2.249 10.512 -12.424 1.00 0.00 C ATOM 958 CD1 ILE A 64 -1.859 8.457 -14.526 1.00 0.00 C ATOM 0 H ILE A 64 -4.580 9.499 -11.658 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.547 11.963 -13.250 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.822 11.013 -14.407 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.690 8.288 -13.400 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.907 8.911 -15.024 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.261 10.153 -12.714 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.182 11.558 -12.125 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.620 9.919 -11.588 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.923 7.438 -14.908 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.438 9.107 -15.293 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.218 8.474 -13.645 1.00 0.00 H new ATOM 970 N VAL A 65 -6.784 9.955 -13.715 1.00 0.00 N ATOM 971 CA VAL A 65 -7.892 9.530 -14.553 1.00 0.00 C ATOM 972 C VAL A 65 -8.854 10.703 -14.751 1.00 0.00 C ATOM 973 O VAL A 65 -9.182 11.058 -15.882 1.00 0.00 O ATOM 974 CB VAL A 65 -8.567 8.299 -13.945 1.00 0.00 C ATOM 975 CG1 VAL A 65 -9.873 7.975 -14.672 1.00 0.00 C ATOM 976 CG2 VAL A 65 -7.622 7.096 -13.952 1.00 0.00 C ATOM 0 H VAL A 65 -6.929 9.818 -12.715 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.533 9.233 -15.539 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.809 8.528 -12.907 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.333 7.096 -14.220 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.554 8.822 -14.592 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.664 7.776 -15.723 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.126 6.235 -13.514 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.334 6.866 -14.978 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.731 7.330 -13.369 1.00 0.00 H new ATOM 986 N THR A 66 -9.280 11.273 -13.633 1.00 0.00 N ATOM 987 CA THR A 66 -10.199 12.398 -13.670 1.00 0.00 C ATOM 988 C THR A 66 -9.480 13.686 -13.262 1.00 0.00 C ATOM 989 O THR A 66 -9.816 14.767 -13.742 1.00 0.00 O ATOM 990 CB THR A 66 -11.395 12.061 -12.778 1.00 0.00 C ATOM 991 OG1 THR A 66 -10.818 11.827 -11.496 1.00 0.00 O ATOM 992 CG2 THR A 66 -12.041 10.724 -13.145 1.00 0.00 C ATOM 0 H THR A 66 -9.006 10.977 -12.696 1.00 0.00 H new ATOM 0 HA THR A 66 -10.569 12.575 -14.680 1.00 0.00 H new ATOM 0 HB THR A 66 -12.138 12.856 -12.852 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.525 11.603 -10.855 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.884 10.533 -12.481 1.00 0.00 H new ATOM 0 HG22 THR A 66 -12.392 10.760 -14.176 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.308 9.924 -13.039 1.00 0.00 H new ATOM 1000 N GLY A 67 -8.504 13.527 -12.380 1.00 0.00 N ATOM 1001 CA GLY A 67 -7.736 14.664 -11.902 1.00 0.00 C ATOM 1002 C GLY A 67 -8.512 15.442 -10.837 1.00 0.00 C ATOM 1003 O GLY A 67 -8.444 16.669 -10.787 1.00 0.00 O ATOM 0 H GLY A 67 -8.228 12.628 -11.984 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.789 14.319 -11.487 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.497 15.323 -12.737 1.00 0.00 H new ATOM 1007 N LYS A 68 -9.231 14.696 -10.012 1.00 0.00 N ATOM 1008 CA LYS A 68 -10.019 15.300 -8.951 1.00 0.00 C ATOM 1009 C LYS A 68 -9.125 15.543 -7.733 1.00 0.00 C ATOM 1010 O LYS A 68 -8.444 16.564 -7.652 1.00 0.00 O ATOM 1011 CB LYS A 68 -11.253 14.448 -8.648 1.00 0.00 C ATOM 1012 CG LYS A 68 -12.374 14.732 -9.650 1.00 0.00 C ATOM 1013 CD LYS A 68 -13.531 15.477 -8.981 1.00 0.00 C ATOM 1014 CE LYS A 68 -14.490 16.052 -10.026 1.00 0.00 C ATOM 1015 NZ LYS A 68 -15.560 16.836 -9.371 1.00 0.00 N ATOM 0 H LYS A 68 -9.285 13.678 -10.057 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.401 16.271 -9.266 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.988 13.391 -8.683 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.603 14.655 -7.637 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.985 15.325 -10.478 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.736 13.794 -10.072 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.071 14.799 -8.320 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.139 16.282 -8.360 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.941 16.686 -10.722 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.929 15.243 -10.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.202 17.219 -10.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.094 16.221 -8.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.137 17.619 -8.834 1.00 0.00 H new ATOM 1029 N GLU A 69 -9.157 14.587 -6.815 1.00 0.00 N ATOM 1030 CA GLU A 69 -8.359 14.684 -5.605 1.00 0.00 C ATOM 1031 C GLU A 69 -8.557 13.440 -4.737 1.00 0.00 C ATOM 1032 O GLU A 69 -9.681 13.119 -4.355 1.00 0.00 O ATOM 1033 CB GLU A 69 -8.697 15.956 -4.826 1.00 0.00 C ATOM 1034 CG GLU A 69 -10.023 15.805 -4.077 1.00 0.00 C ATOM 1035 CD GLU A 69 -10.434 17.123 -3.418 1.00 0.00 C ATOM 1036 OE1 GLU A 69 -10.057 18.177 -3.973 1.00 0.00 O ATOM 1037 OE2 GLU A 69 -11.117 17.046 -2.374 1.00 0.00 O ATOM 0 H GLU A 69 -9.723 13.742 -6.886 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.308 14.740 -5.890 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.898 16.176 -4.118 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.757 16.801 -5.511 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.801 15.482 -4.769 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.930 15.028 -3.318 1.00 0.00 H new ATOM 1044 N ILE A 70 -7.448 12.774 -4.452 1.00 0.00 N ATOM 1045 CA ILE A 70 -7.486 11.572 -3.636 1.00 0.00 C ATOM 1046 C ILE A 70 -6.871 11.870 -2.267 1.00 0.00 C ATOM 1047 O ILE A 70 -5.659 11.999 -2.110 1.00 0.00 O ATOM 1048 CB ILE A 70 -6.819 10.406 -4.368 1.00 0.00 C ATOM 1049 CG1 ILE A 70 -7.439 10.202 -5.752 1.00 0.00 C ATOM 1050 CG2 ILE A 70 -6.867 9.130 -3.525 1.00 0.00 C ATOM 1051 CD1 ILE A 70 -8.637 9.252 -5.682 1.00 0.00 C ATOM 0 H ILE A 70 -6.518 13.044 -4.771 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.517 11.262 -3.463 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.768 10.653 -4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.756 11.163 -6.158 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.690 9.799 -6.434 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.386 8.317 -4.068 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.344 9.296 -2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.905 8.867 -3.322 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.059 9.124 -6.679 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.312 8.285 -5.299 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.394 9.670 -5.018 1.00 0.00 H new ATOM 1063 N PRO A 71 -7.748 11.979 -1.266 1.00 0.00 N ATOM 1064 CA PRO A 71 -7.388 12.256 0.108 1.00 0.00 C ATOM 1065 C PRO A 71 -6.264 11.324 0.538 1.00 0.00 C ATOM 1066 O PRO A 71 -5.992 10.327 -0.127 1.00 0.00 O ATOM 1067 CB PRO A 71 -8.660 11.986 0.908 1.00 0.00 C ATOM 1068 CG PRO A 71 -9.763 12.284 -0.078 1.00 0.00 C ATOM 1069 CD PRO A 71 -9.180 11.834 -1.415 1.00 0.00 C ATOM 0 HA PRO A 71 -7.031 13.275 0.257 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.703 10.955 1.259 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.724 12.625 1.788 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.676 11.740 0.165 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.017 13.344 -0.088 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.451 10.802 -1.637 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -9.556 12.446 -2.235 1.00 0.00 H new ATOM 1077 N PRO A 72 -5.609 11.652 1.655 1.00 0.00 N ATOM 1078 CA PRO A 72 -4.516 10.886 2.214 1.00 0.00 C ATOM 1079 C PRO A 72 -4.845 9.402 2.146 1.00 0.00 C ATOM 1080 O PRO A 72 -5.924 9.012 2.590 1.00 0.00 O ATOM 1081 CB PRO A 72 -4.409 11.358 3.663 1.00 0.00 C ATOM 1082 CG PRO A 72 -5.630 12.380 3.899 1.00 0.00 C ATOM 1083 CD PRO A 72 -5.903 12.817 2.461 1.00 0.00 C ATOM 0 HA PRO A 72 -3.579 11.028 1.676 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -4.469 10.515 4.352 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.452 11.848 3.842 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.493 11.897 4.357 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.354 13.216 4.542 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.938 13.134 2.334 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.274 13.661 2.179 1.00 0.00 H new ATOM 1091 N LEU A 73 -3.930 8.615 1.601 1.00 0.00 N ATOM 1092 CA LEU A 73 -4.146 7.183 1.487 1.00 0.00 C ATOM 1093 C LEU A 73 -3.730 6.502 2.793 1.00 0.00 C ATOM 1094 O LEU A 73 -4.204 5.411 3.106 1.00 0.00 O ATOM 1095 CB LEU A 73 -3.432 6.630 0.251 1.00 0.00 C ATOM 1096 CG LEU A 73 -3.320 5.107 0.167 1.00 0.00 C ATOM 1097 CD1 LEU A 73 -4.559 4.501 -0.495 1.00 0.00 C ATOM 1098 CD2 LEU A 73 -2.030 4.690 -0.543 1.00 0.00 C ATOM 0 H LEU A 73 -3.037 8.942 1.233 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.204 6.969 1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.956 6.985 -0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.427 7.051 0.218 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.272 4.712 1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.453 3.417 -0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.444 4.754 0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.664 4.899 -1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.975 3.602 -0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.023 5.097 -1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.171 5.073 0.008 1.00 0.00 H new ATOM 1110 N ALA A 74 -2.849 7.175 3.519 1.00 0.00 N ATOM 1111 CA ALA A 74 -2.365 6.649 4.783 1.00 0.00 C ATOM 1112 C ALA A 74 -3.510 5.937 5.507 1.00 0.00 C ATOM 1113 O ALA A 74 -4.336 6.549 6.180 1.00 0.00 O ATOM 1114 CB ALA A 74 -1.768 7.787 5.614 1.00 0.00 C ATOM 0 H ALA A 74 -2.458 8.080 3.256 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.575 5.917 4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.405 7.393 6.563 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.940 8.240 5.069 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.533 8.540 5.803 1.00 0.00 H new ATOM 1120 N PRO A 75 -3.539 4.612 5.350 1.00 0.00 N ATOM 1121 CA PRO A 75 -4.530 3.741 5.945 1.00 0.00 C ATOM 1122 C PRO A 75 -4.371 3.746 7.459 1.00 0.00 C ATOM 1123 O PRO A 75 -4.218 2.674 8.043 1.00 0.00 O ATOM 1124 CB PRO A 75 -4.235 2.359 5.367 1.00 0.00 C ATOM 1125 CG PRO A 75 -3.322 2.590 4.153 1.00 0.00 C ATOM 1126 CD PRO A 75 -2.582 3.861 4.566 1.00 0.00 C ATOM 0 HA PRO A 75 -5.552 4.053 5.732 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.747 1.724 6.106 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.156 1.856 5.072 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.642 1.755 3.987 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.890 2.727 3.233 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -1.691 3.627 5.149 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.254 4.428 3.695 1.00 0.00 H new ATOM 1134 N ARG A 76 -4.408 4.928 8.056 1.00 0.00 N ATOM 1135 CA ARG A 76 -4.264 5.043 9.498 1.00 0.00 C ATOM 1136 C ARG A 76 -4.595 6.465 9.953 1.00 0.00 C ATOM 1137 O ARG A 76 -5.399 6.658 10.863 1.00 0.00 O ATOM 1138 CB ARG A 76 -2.842 4.691 9.939 1.00 0.00 C ATOM 1139 CG ARG A 76 -2.766 4.515 11.457 1.00 0.00 C ATOM 1140 CD ARG A 76 -1.736 5.467 12.069 1.00 0.00 C ATOM 1141 NE ARG A 76 -1.628 5.227 13.525 1.00 0.00 N ATOM 1142 CZ ARG A 76 -1.215 6.146 14.409 1.00 0.00 C ATOM 1143 NH1 ARG A 76 -0.870 7.371 13.990 1.00 0.00 N ATOM 1144 NH2 ARG A 76 -1.149 5.840 15.712 1.00 0.00 N ATOM 0 H ARG A 76 -4.536 5.815 7.568 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.959 4.340 9.958 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.522 3.773 9.446 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.155 5.477 9.626 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.745 4.701 11.898 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.500 3.485 11.694 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.766 5.320 11.595 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.028 6.501 11.883 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.884 4.305 13.878 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.922 7.604 12.998 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.556 8.070 14.663 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.413 4.908 16.031 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.835 6.539 16.385 1.00 0.00 H new ATOM 1158 N VAL A 77 -3.958 7.425 9.298 1.00 0.00 N ATOM 1159 CA VAL A 77 -4.175 8.824 9.623 1.00 0.00 C ATOM 1160 C VAL A 77 -5.676 9.087 9.752 1.00 0.00 C ATOM 1161 O VAL A 77 -6.111 9.793 10.661 1.00 0.00 O ATOM 1162 CB VAL A 77 -3.499 9.715 8.579 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -4.056 11.140 8.631 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -1.980 9.714 8.757 1.00 0.00 C ATOM 0 H VAL A 77 -3.291 7.261 8.544 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.719 9.068 10.583 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.721 9.304 7.594 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.559 11.753 7.879 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.127 11.119 8.432 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.879 11.564 9.619 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.525 10.355 8.002 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.730 10.088 9.750 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.601 8.698 8.646 1.00 0.00 H new ATOM 1174 N ASN A 78 -6.428 8.505 8.829 1.00 0.00 N ATOM 1175 CA ASN A 78 -7.872 8.667 8.828 1.00 0.00 C ATOM 1176 C ASN A 78 -8.516 7.462 9.517 1.00 0.00 C ATOM 1177 O ASN A 78 -8.012 6.344 9.421 1.00 0.00 O ATOM 1178 CB ASN A 78 -8.416 8.743 7.400 1.00 0.00 C ATOM 1179 CG ASN A 78 -7.445 9.486 6.482 1.00 0.00 C ATOM 1180 OD1 ASN A 78 -6.436 10.024 6.907 1.00 0.00 O ATOM 1181 ND2 ASN A 78 -7.804 9.486 5.201 1.00 0.00 N ATOM 0 H ASN A 78 -6.064 7.920 8.077 1.00 0.00 H new ATOM 0 HA ASN A 78 -8.109 9.592 9.353 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -8.585 7.736 7.018 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -9.381 9.250 7.401 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -7.221 9.956 4.508 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.662 9.016 4.912 1.00 0.00 H new ATOM 1188 N THR A 79 -9.622 7.731 10.196 1.00 0.00 N ATOM 1189 CA THR A 79 -10.341 6.683 10.900 1.00 0.00 C ATOM 1190 C THR A 79 -11.210 5.885 9.926 1.00 0.00 C ATOM 1191 O THR A 79 -11.542 4.730 10.187 1.00 0.00 O ATOM 1192 CB THR A 79 -11.138 7.335 12.032 1.00 0.00 C ATOM 1193 OG1 THR A 79 -11.796 8.433 11.406 1.00 0.00 O ATOM 1194 CG2 THR A 79 -10.236 7.989 13.081 1.00 0.00 C ATOM 0 H THR A 79 -10.037 8.659 10.273 1.00 0.00 H new ATOM 0 HA THR A 79 -9.655 5.960 11.341 1.00 0.00 H new ATOM 0 HB THR A 79 -11.768 6.585 12.511 1.00 0.00 H new ATOM 0 HG1 THR A 79 -12.337 8.911 12.069 1.00 0.00 H new ATOM 0 HG21 THR A 79 -10.851 8.437 13.862 1.00 0.00 H new ATOM 0 HG22 THR A 79 -9.584 7.235 13.521 1.00 0.00 H new ATOM 0 HG23 THR A 79 -9.630 8.762 12.609 1.00 0.00 H new ATOM 1202 N LYS A 80 -11.555 6.534 8.823 1.00 0.00 N ATOM 1203 CA LYS A 80 -12.379 5.899 7.808 1.00 0.00 C ATOM 1204 C LYS A 80 -11.477 5.254 6.755 1.00 0.00 C ATOM 1205 O LYS A 80 -11.705 5.412 5.556 1.00 0.00 O ATOM 1206 CB LYS A 80 -13.382 6.900 7.230 1.00 0.00 C ATOM 1207 CG LYS A 80 -14.520 7.168 8.217 1.00 0.00 C ATOM 1208 CD LYS A 80 -14.827 8.664 8.306 1.00 0.00 C ATOM 1209 CE LYS A 80 -15.984 9.042 7.378 1.00 0.00 C ATOM 1210 NZ LYS A 80 -17.235 9.209 8.151 1.00 0.00 N ATOM 0 H LYS A 80 -11.279 7.493 8.610 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.977 5.101 8.247 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.873 7.835 6.994 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.790 6.514 6.296 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.413 6.628 7.903 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.248 6.790 9.202 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.079 8.927 9.333 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.939 9.238 8.039 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.749 9.967 6.852 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -16.118 8.270 6.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.010 9.465 7.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.467 8.317 8.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.109 9.962 8.857 1.00 0.00 H new ATOM 1224 N ARG A 81 -10.472 4.540 7.240 1.00 0.00 N ATOM 1225 CA ARG A 81 -9.535 3.870 6.354 1.00 0.00 C ATOM 1226 C ARG A 81 -9.061 2.556 6.979 1.00 0.00 C ATOM 1227 O ARG A 81 -8.863 2.477 8.191 1.00 0.00 O ATOM 1228 CB ARG A 81 -8.321 4.755 6.064 1.00 0.00 C ATOM 1229 CG ARG A 81 -8.680 5.873 5.082 1.00 0.00 C ATOM 1230 CD ARG A 81 -8.561 5.390 3.635 1.00 0.00 C ATOM 1231 NE ARG A 81 -8.666 6.539 2.708 1.00 0.00 N ATOM 1232 CZ ARG A 81 -9.824 7.014 2.229 1.00 0.00 C ATOM 1233 NH1 ARG A 81 -10.982 6.442 2.587 1.00 0.00 N ATOM 1234 NH2 ARG A 81 -9.823 8.061 1.393 1.00 0.00 N ATOM 0 H ARG A 81 -10.286 4.411 8.235 1.00 0.00 H new ATOM 0 HA ARG A 81 -10.053 3.666 5.417 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.951 5.187 6.994 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.515 4.149 5.652 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.697 6.216 5.272 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.021 6.726 5.240 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.608 4.881 3.490 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.346 4.665 3.419 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.803 6.998 2.416 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -10.982 5.645 3.224 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.863 6.803 2.223 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.941 8.496 1.122 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.704 8.423 1.028 1.00 0.00 H new ATOM 1248 N PHE A 82 -8.892 1.558 6.124 1.00 0.00 N ATOM 1249 CA PHE A 82 -8.445 0.252 6.578 1.00 0.00 C ATOM 1250 C PHE A 82 -9.334 -0.270 7.708 1.00 0.00 C ATOM 1251 O PHE A 82 -8.840 -0.852 8.673 1.00 0.00 O ATOM 1252 CB PHE A 82 -7.019 0.425 7.104 1.00 0.00 C ATOM 1253 CG PHE A 82 -5.935 -0.049 6.134 1.00 0.00 C ATOM 1254 CD1 PHE A 82 -6.212 -0.158 4.807 1.00 0.00 C ATOM 1255 CD2 PHE A 82 -4.695 -0.359 6.598 1.00 0.00 C ATOM 1256 CE1 PHE A 82 -5.206 -0.598 3.906 1.00 0.00 C ATOM 1257 CE2 PHE A 82 -3.689 -0.799 5.697 1.00 0.00 C ATOM 1258 CZ PHE A 82 -3.966 -0.909 4.370 1.00 0.00 C ATOM 0 H PHE A 82 -9.056 1.627 5.120 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.491 -0.463 5.757 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.852 1.478 7.332 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.919 -0.124 8.040 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -7.196 0.090 4.438 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.475 -0.271 7.652 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.426 -0.686 2.852 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.704 -1.046 6.066 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.201 -1.243 3.685 1.00 0.00 H new ATOM 1268 N THR A 83 -10.630 -0.043 7.552 1.00 0.00 N ATOM 1269 CA THR A 83 -11.592 -0.482 8.548 1.00 0.00 C ATOM 1270 C THR A 83 -12.563 -1.496 7.940 1.00 0.00 C ATOM 1271 O THR A 83 -13.774 -1.279 7.942 1.00 0.00 O ATOM 1272 CB THR A 83 -12.284 0.758 9.116 1.00 0.00 C ATOM 1273 OG1 THR A 83 -11.388 1.227 10.120 1.00 0.00 O ATOM 1274 CG2 THR A 83 -13.560 0.414 9.888 1.00 0.00 C ATOM 0 H THR A 83 -11.036 0.439 6.750 1.00 0.00 H new ATOM 0 HA THR A 83 -11.101 -1.002 9.370 1.00 0.00 H new ATOM 0 HB THR A 83 -12.524 1.443 8.303 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.759 2.031 10.539 1.00 0.00 H new ATOM 0 HG21 THR A 83 -14.012 1.329 10.270 1.00 0.00 H new ATOM 0 HG22 THR A 83 -14.263 -0.088 9.223 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.315 -0.245 10.721 1.00 0.00 H new ATOM 1282 N ASP A 84 -11.996 -2.581 7.434 1.00 0.00 N ATOM 1283 CA ASP A 84 -12.797 -3.628 6.824 1.00 0.00 C ATOM 1284 C ASP A 84 -11.872 -4.702 6.248 1.00 0.00 C ATOM 1285 O ASP A 84 -11.824 -4.900 5.035 1.00 0.00 O ATOM 1286 CB ASP A 84 -13.648 -3.075 5.679 1.00 0.00 C ATOM 1287 CG ASP A 84 -12.857 -2.545 4.482 1.00 0.00 C ATOM 1288 OD1 ASP A 84 -11.623 -2.408 4.633 1.00 0.00 O ATOM 1289 OD2 ASP A 84 -13.503 -2.289 3.443 1.00 0.00 O ATOM 0 H ASP A 84 -10.991 -2.758 7.434 1.00 0.00 H new ATOM 0 HA ASP A 84 -13.450 -4.042 7.592 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.319 -3.861 5.333 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.273 -2.271 6.067 1.00 0.00 H new ATOM 1294 N ILE A 85 -11.159 -5.367 7.145 1.00 0.00 N ATOM 1295 CA ILE A 85 -10.237 -6.415 6.741 1.00 0.00 C ATOM 1296 C ILE A 85 -10.881 -7.258 5.639 1.00 0.00 C ATOM 1297 O ILE A 85 -10.263 -7.512 4.606 1.00 0.00 O ATOM 1298 CB ILE A 85 -9.789 -7.231 7.956 1.00 0.00 C ATOM 1299 CG1 ILE A 85 -8.930 -6.385 8.898 1.00 0.00 C ATOM 1300 CG2 ILE A 85 -9.072 -8.511 7.522 1.00 0.00 C ATOM 1301 CD1 ILE A 85 -8.699 -7.108 10.227 1.00 0.00 C ATOM 0 H ILE A 85 -11.201 -5.200 8.150 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.328 -5.983 6.322 1.00 0.00 H new ATOM 0 HB ILE A 85 -10.677 -7.531 8.512 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.972 -6.169 8.426 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.419 -5.428 9.081 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.764 -9.072 8.404 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.747 -9.120 6.921 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.193 -8.253 6.931 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -8.086 -6.485 10.878 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -9.658 -7.301 10.708 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -8.188 -8.053 10.043 1.00 0.00 H new ATOM 1313 N ASP A 86 -12.115 -7.667 5.895 1.00 0.00 N ATOM 1314 CA ASP A 86 -12.850 -8.475 4.937 1.00 0.00 C ATOM 1315 C ASP A 86 -12.621 -7.922 3.528 1.00 0.00 C ATOM 1316 O ASP A 86 -12.166 -8.643 2.641 1.00 0.00 O ATOM 1317 CB ASP A 86 -14.353 -8.437 5.221 1.00 0.00 C ATOM 1318 CG ASP A 86 -15.181 -9.477 4.464 1.00 0.00 C ATOM 1319 OD1 ASP A 86 -15.135 -9.439 3.215 1.00 0.00 O ATOM 1320 OD2 ASP A 86 -15.841 -10.286 5.150 1.00 0.00 O ATOM 0 H ASP A 86 -12.624 -7.454 6.753 1.00 0.00 H new ATOM 0 HA ASP A 86 -12.494 -9.502 5.019 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.509 -8.579 6.290 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.729 -7.445 4.973 1.00 0.00 H new ATOM 1325 N LYS A 87 -12.947 -6.648 3.367 1.00 0.00 N ATOM 1326 CA LYS A 87 -12.783 -5.991 2.082 1.00 0.00 C ATOM 1327 C LYS A 87 -11.529 -5.115 2.118 1.00 0.00 C ATOM 1328 O LYS A 87 -11.587 -3.957 2.529 1.00 0.00 O ATOM 1329 CB LYS A 87 -14.054 -5.228 1.704 1.00 0.00 C ATOM 1330 CG LYS A 87 -14.114 -4.974 0.196 1.00 0.00 C ATOM 1331 CD LYS A 87 -14.565 -3.543 -0.101 1.00 0.00 C ATOM 1332 CE LYS A 87 -14.380 -3.206 -1.582 1.00 0.00 C ATOM 1333 NZ LYS A 87 -14.239 -1.745 -1.768 1.00 0.00 N ATOM 0 H LYS A 87 -13.324 -6.053 4.105 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.635 -6.729 1.294 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.930 -5.797 2.016 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.084 -4.278 2.238 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.133 -5.149 -0.245 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.803 -5.680 -0.268 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.613 -3.424 0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.993 -2.844 0.509 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.497 -3.715 -1.969 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.234 -3.570 -2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.114 -1.534 -2.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.093 -1.266 -1.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.410 -1.406 -1.239 1.00 0.00 H new ATOM 1347 N VAL A 88 -10.424 -5.702 1.683 1.00 0.00 N ATOM 1348 CA VAL A 88 -9.157 -4.990 1.660 1.00 0.00 C ATOM 1349 C VAL A 88 -8.049 -5.944 1.211 1.00 0.00 C ATOM 1350 O VAL A 88 -7.114 -5.536 0.524 1.00 0.00 O ATOM 1351 CB VAL A 88 -8.887 -4.360 3.028 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -7.659 -4.991 3.689 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -8.728 -2.843 2.911 1.00 0.00 C ATOM 0 H VAL A 88 -10.379 -6.663 1.344 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.191 -4.171 0.941 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.749 -4.558 3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.489 -4.526 4.660 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.827 -6.060 3.823 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.786 -4.838 3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.537 -2.420 3.897 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.892 -2.615 2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.642 -2.412 2.502 1.00 0.00 H new ATOM 1363 N GLU A 89 -8.189 -7.197 1.619 1.00 0.00 N ATOM 1364 CA GLU A 89 -7.211 -8.212 1.268 1.00 0.00 C ATOM 1365 C GLU A 89 -7.414 -8.667 -0.179 1.00 0.00 C ATOM 1366 O GLU A 89 -6.554 -9.337 -0.750 1.00 0.00 O ATOM 1367 CB GLU A 89 -7.283 -9.399 2.230 1.00 0.00 C ATOM 1368 CG GLU A 89 -8.615 -10.139 2.090 1.00 0.00 C ATOM 1369 CD GLU A 89 -8.392 -11.643 1.920 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -7.830 -12.019 0.868 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -8.787 -12.384 2.846 1.00 0.00 O ATOM 0 H GLU A 89 -8.965 -7.532 2.189 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.216 -7.775 1.355 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.459 -10.084 2.030 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.164 -9.048 3.255 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.231 -9.956 2.971 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.163 -9.750 1.232 1.00 0.00 H new ATOM 1378 N ASP A 90 -8.555 -8.283 -0.732 1.00 0.00 N ATOM 1379 CA ASP A 90 -8.882 -8.643 -2.101 1.00 0.00 C ATOM 1380 C ASP A 90 -8.578 -7.458 -3.021 1.00 0.00 C ATOM 1381 O ASP A 90 -7.931 -7.620 -4.055 1.00 0.00 O ATOM 1382 CB ASP A 90 -10.367 -8.982 -2.242 1.00 0.00 C ATOM 1383 CG ASP A 90 -10.784 -10.324 -1.637 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -10.505 -10.514 -0.433 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -11.372 -11.129 -2.391 1.00 0.00 O ATOM 0 H ASP A 90 -9.265 -7.726 -0.256 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.286 -9.515 -2.372 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.951 -8.191 -1.771 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.625 -8.982 -3.301 1.00 0.00 H new ATOM 1390 N GLU A 91 -9.060 -6.294 -2.612 1.00 0.00 N ATOM 1391 CA GLU A 91 -8.848 -5.083 -3.386 1.00 0.00 C ATOM 1392 C GLU A 91 -7.353 -4.858 -3.622 1.00 0.00 C ATOM 1393 O GLU A 91 -6.956 -4.344 -4.667 1.00 0.00 O ATOM 1394 CB GLU A 91 -9.482 -3.873 -2.697 1.00 0.00 C ATOM 1395 CG GLU A 91 -10.998 -3.857 -2.902 1.00 0.00 C ATOM 1396 CD GLU A 91 -11.385 -2.931 -4.057 1.00 0.00 C ATOM 1397 OE1 GLU A 91 -10.787 -1.835 -4.130 1.00 0.00 O ATOM 1398 OE2 GLU A 91 -12.269 -3.339 -4.841 1.00 0.00 O ATOM 0 H GLU A 91 -9.597 -6.164 -1.754 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.335 -5.205 -4.354 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.256 -3.897 -1.631 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.048 -2.955 -3.094 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.352 -4.867 -3.107 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.489 -3.527 -1.986 1.00 0.00 H new ATOM 1405 N PHE A 92 -6.564 -5.255 -2.635 1.00 0.00 N ATOM 1406 CA PHE A 92 -5.122 -5.104 -2.722 1.00 0.00 C ATOM 1407 C PHE A 92 -4.543 -5.995 -3.823 1.00 0.00 C ATOM 1408 O PHE A 92 -3.494 -5.688 -4.387 1.00 0.00 O ATOM 1409 CB PHE A 92 -4.544 -5.539 -1.374 1.00 0.00 C ATOM 1410 CG PHE A 92 -3.780 -4.436 -0.639 1.00 0.00 C ATOM 1411 CD1 PHE A 92 -2.865 -3.683 -1.306 1.00 0.00 C ATOM 1412 CD2 PHE A 92 -4.016 -4.209 0.681 1.00 0.00 C ATOM 1413 CE1 PHE A 92 -2.155 -2.659 -0.624 1.00 0.00 C ATOM 1414 CE2 PHE A 92 -3.307 -3.185 1.363 1.00 0.00 C ATOM 1415 CZ PHE A 92 -2.391 -2.432 0.696 1.00 0.00 C ATOM 0 H PHE A 92 -6.896 -5.681 -1.770 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.870 -4.070 -2.958 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.357 -5.889 -0.738 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.876 -6.385 -1.533 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.678 -3.864 -2.354 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.743 -4.807 1.210 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.428 -2.061 -1.153 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.495 -3.004 2.411 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.851 -1.654 1.215 1.00 0.00 H new ATOM 1425 N THR A 93 -5.252 -7.080 -4.096 1.00 0.00 N ATOM 1426 CA THR A 93 -4.821 -8.017 -5.119 1.00 0.00 C ATOM 1427 C THR A 93 -5.399 -7.624 -6.480 1.00 0.00 C ATOM 1428 O THR A 93 -4.752 -7.805 -7.510 1.00 0.00 O ATOM 1429 CB THR A 93 -5.223 -9.424 -4.671 1.00 0.00 C ATOM 1430 OG1 THR A 93 -4.132 -9.857 -3.864 1.00 0.00 O ATOM 1431 CG2 THR A 93 -5.248 -10.423 -5.830 1.00 0.00 C ATOM 0 H THR A 93 -6.122 -7.331 -3.627 1.00 0.00 H new ATOM 0 HA THR A 93 -3.738 -7.997 -5.243 1.00 0.00 H new ATOM 0 HB THR A 93 -6.206 -9.388 -4.201 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.289 -9.564 -4.269 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.539 -11.405 -5.458 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.966 -10.092 -6.580 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.257 -10.484 -6.279 1.00 0.00 H new ATOM 1439 N LYS A 94 -6.613 -7.094 -6.440 1.00 0.00 N ATOM 1440 CA LYS A 94 -7.286 -6.673 -7.657 1.00 0.00 C ATOM 1441 C LYS A 94 -6.618 -5.405 -8.192 1.00 0.00 C ATOM 1442 O LYS A 94 -6.612 -5.156 -9.396 1.00 0.00 O ATOM 1443 CB LYS A 94 -8.789 -6.520 -7.413 1.00 0.00 C ATOM 1444 CG LYS A 94 -9.319 -7.653 -6.532 1.00 0.00 C ATOM 1445 CD LYS A 94 -10.594 -8.257 -7.123 1.00 0.00 C ATOM 1446 CE LYS A 94 -10.457 -9.772 -7.290 1.00 0.00 C ATOM 1447 NZ LYS A 94 -10.995 -10.200 -8.600 1.00 0.00 N ATOM 0 H LYS A 94 -7.148 -6.947 -5.584 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.188 -7.436 -8.429 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.988 -5.560 -6.936 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.318 -6.518 -8.366 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.558 -8.427 -6.432 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.522 -7.275 -5.530 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.441 -8.034 -6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.804 -7.799 -8.089 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.409 -10.059 -7.209 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -10.990 -10.282 -6.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.894 -11.231 -8.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.001 -9.943 -8.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.469 -9.728 -9.363 1.00 0.00 H new ATOM 1461 N HIS A 95 -6.064 -4.625 -7.263 1.00 0.00 N ATOM 1462 CA HIS A 95 -5.382 -3.376 -7.583 1.00 0.00 C ATOM 1463 C HIS A 95 -4.089 -3.673 -8.363 1.00 0.00 C ATOM 1464 O HIS A 95 -3.889 -3.208 -9.483 1.00 0.00 O ATOM 1465 CB HIS A 95 -5.168 -2.581 -6.286 1.00 0.00 C ATOM 1466 CG HIS A 95 -4.773 -1.130 -6.436 1.00 0.00 C ATOM 1467 ND1 HIS A 95 -4.781 -0.500 -7.615 1.00 0.00 N ATOM 1468 CD2 HIS A 95 -4.356 -0.204 -5.510 1.00 0.00 C ATOM 1469 CE1 HIS A 95 -4.384 0.769 -7.431 1.00 0.00 C ATOM 1470 NE2 HIS A 95 -4.109 1.005 -6.149 1.00 0.00 N ATOM 0 H HIS A 95 -6.077 -4.844 -6.267 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.985 -2.749 -8.239 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.089 -2.624 -5.705 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -4.398 -3.084 -5.702 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.239 -0.387 -4.452 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.299 1.503 -8.219 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.789 1.878 -5.730 1.00 0.00 H new ATOM 1478 N CYS A 96 -3.214 -4.465 -7.739 1.00 0.00 N ATOM 1479 CA CYS A 96 -1.951 -4.841 -8.341 1.00 0.00 C ATOM 1480 C CYS A 96 -2.204 -5.492 -9.693 1.00 0.00 C ATOM 1481 O CYS A 96 -1.307 -5.477 -10.534 1.00 0.00 O ATOM 1482 CB CYS A 96 -1.207 -5.795 -7.410 1.00 0.00 C ATOM 1483 SG CYS A 96 -0.264 -4.820 -6.213 1.00 0.00 S ATOM 0 H CYS A 96 -3.367 -4.857 -6.810 1.00 0.00 H new ATOM 0 HA CYS A 96 -1.336 -3.954 -8.494 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.912 -6.447 -6.894 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.539 -6.438 -7.983 1.00 0.00 H new ATOM 1488 N ASN A 97 -3.396 -6.042 -9.877 1.00 0.00 N ATOM 1489 CA ASN A 97 -3.736 -6.689 -11.133 1.00 0.00 C ATOM 1490 C ASN A 97 -4.128 -5.625 -12.160 1.00 0.00 C ATOM 1491 O ASN A 97 -4.212 -5.910 -13.353 1.00 0.00 O ATOM 1492 CB ASN A 97 -4.923 -7.639 -10.959 1.00 0.00 C ATOM 1493 CG ASN A 97 -4.471 -9.099 -11.031 1.00 0.00 C ATOM 1494 OD1 ASN A 97 -4.057 -9.598 -12.064 1.00 0.00 O ATOM 1495 ND2 ASN A 97 -4.575 -9.754 -9.878 1.00 0.00 N ATOM 0 H ASN A 97 -4.138 -6.053 -9.177 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.867 -7.255 -11.467 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.407 -7.451 -10.000 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.665 -7.446 -11.734 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.300 -10.735 -9.822 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.930 -9.276 -9.050 1.00 0.00 H new ATOM 1502 N ASP A 98 -4.358 -4.420 -11.658 1.00 0.00 N ATOM 1503 CA ASP A 98 -4.739 -3.312 -12.517 1.00 0.00 C ATOM 1504 C ASP A 98 -3.668 -2.222 -12.442 1.00 0.00 C ATOM 1505 O ASP A 98 -3.821 -1.154 -13.033 1.00 0.00 O ATOM 1506 CB ASP A 98 -6.068 -2.701 -12.070 1.00 0.00 C ATOM 1507 CG ASP A 98 -7.307 -3.261 -12.771 1.00 0.00 C ATOM 1508 OD1 ASP A 98 -7.162 -4.323 -13.415 1.00 0.00 O ATOM 1509 OD2 ASP A 98 -8.370 -2.616 -12.648 1.00 0.00 O ATOM 0 H ASP A 98 -4.288 -4.187 -10.667 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.841 -3.693 -13.533 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.177 -2.853 -10.996 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.030 -1.625 -12.237 1.00 0.00 H new ATOM 1514 N ILE A 99 -2.607 -2.530 -11.711 1.00 0.00 N ATOM 1515 CA ILE A 99 -1.510 -1.590 -11.551 1.00 0.00 C ATOM 1516 C ILE A 99 -0.228 -2.208 -12.111 1.00 0.00 C ATOM 1517 O ILE A 99 0.477 -1.579 -12.898 1.00 0.00 O ATOM 1518 CB ILE A 99 -1.393 -1.146 -10.092 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -2.682 -0.470 -9.619 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -0.168 -0.253 -9.886 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -2.830 0.921 -10.237 1.00 0.00 C ATOM 0 H ILE A 99 -2.483 -3.417 -11.223 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.701 -0.681 -12.122 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.250 -2.034 -9.476 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.540 -1.085 -9.890 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.677 -0.390 -8.532 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.109 0.048 -8.840 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.733 -0.803 -10.156 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.254 0.633 -10.514 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.754 1.379 -9.885 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.983 1.541 -9.944 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.859 0.835 -11.323 1.00 0.00 H new ATOM 1533 N LEU A 100 0.036 -3.434 -11.682 1.00 0.00 N ATOM 1534 CA LEU A 100 1.221 -4.145 -12.131 1.00 0.00 C ATOM 1535 C LEU A 100 0.831 -5.137 -13.229 1.00 0.00 C ATOM 1536 O LEU A 100 1.653 -5.488 -14.073 1.00 0.00 O ATOM 1537 CB LEU A 100 1.939 -4.792 -10.944 1.00 0.00 C ATOM 1538 CG LEU A 100 2.646 -3.833 -9.984 1.00 0.00 C ATOM 1539 CD1 LEU A 100 3.368 -4.602 -8.875 1.00 0.00 C ATOM 1540 CD2 LEU A 100 3.591 -2.898 -10.741 1.00 0.00 C ATOM 0 H LEU A 100 -0.551 -3.953 -11.028 1.00 0.00 H new ATOM 0 HA LEU A 100 1.938 -3.451 -12.569 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.211 -5.372 -10.376 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.676 -5.496 -11.330 1.00 0.00 H new ATOM 0 HG LEU A 100 1.891 -3.209 -9.505 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.862 -3.897 -8.206 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.645 -5.192 -8.311 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.111 -5.265 -9.317 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.081 -2.227 -10.036 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.344 -3.487 -11.264 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.022 -2.313 -11.464 1.00 0.00 H new ATOM 1552 N GLY A 101 -0.424 -5.560 -13.181 1.00 0.00 N ATOM 1553 CA GLY A 101 -0.933 -6.504 -14.161 1.00 0.00 C ATOM 1554 C GLY A 101 -1.038 -7.910 -13.566 1.00 0.00 C ATOM 1555 O GLY A 101 -1.248 -8.881 -14.290 1.00 0.00 O ATOM 0 H GLY A 101 -1.103 -5.266 -12.479 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.913 -6.179 -14.509 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.275 -6.521 -15.030 1.00 0.00 H new ATOM 1559 N ALA A 102 -0.886 -7.973 -12.251 1.00 0.00 N ATOM 1560 CA ALA A 102 -0.961 -9.244 -11.550 1.00 0.00 C ATOM 1561 C ALA A 102 -1.030 -8.986 -10.043 1.00 0.00 C ATOM 1562 O ALA A 102 -1.113 -7.839 -9.609 1.00 0.00 O ATOM 1563 CB ALA A 102 0.237 -10.113 -11.938 1.00 0.00 C ATOM 0 H ALA A 102 -0.711 -7.165 -11.653 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.863 -9.787 -11.834 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.181 -11.066 -11.412 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.225 -10.291 -13.013 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.160 -9.602 -11.665 1.00 0.00 H new ATOM 1569 N ASP A 103 -0.994 -10.074 -9.287 1.00 0.00 N ATOM 1570 CA ASP A 103 -1.051 -9.981 -7.838 1.00 0.00 C ATOM 1571 C ASP A 103 0.356 -9.733 -7.291 1.00 0.00 C ATOM 1572 O ASP A 103 1.305 -10.458 -7.581 1.00 0.00 O ATOM 1573 CB ASP A 103 -1.576 -11.279 -7.223 1.00 0.00 C ATOM 1574 CG ASP A 103 -2.105 -11.150 -5.793 1.00 0.00 C ATOM 1575 OD1 ASP A 103 -1.992 -10.032 -5.245 1.00 0.00 O ATOM 1576 OD2 ASP A 103 -2.610 -12.172 -5.280 1.00 0.00 O ATOM 0 H ASP A 103 -0.926 -11.024 -9.651 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.722 -9.162 -7.579 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.374 -11.666 -7.856 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.775 -12.018 -7.233 1.00 0.00 H new ATOM 1581 N CYS A 104 0.468 -8.677 -6.482 1.00 0.00 N ATOM 1582 CA CYS A 104 1.731 -8.303 -5.878 1.00 0.00 C ATOM 1583 C CYS A 104 2.184 -9.398 -4.923 1.00 0.00 C ATOM 1584 O CYS A 104 1.352 -10.207 -4.513 1.00 0.00 O ATOM 1585 CB CYS A 104 1.570 -6.975 -5.142 1.00 0.00 C ATOM 1586 SG CYS A 104 1.518 -5.639 -6.362 1.00 0.00 S ATOM 0 H CYS A 104 -0.311 -8.068 -6.234 1.00 0.00 H new ATOM 0 HA CYS A 104 2.490 -8.183 -6.651 1.00 0.00 H new ATOM 0 HB2 CYS A 104 0.656 -6.980 -4.548 1.00 0.00 H new ATOM 0 HB3 CYS A 104 2.399 -6.823 -4.450 1.00 0.00 H new ATOM 1591 N SER A 105 3.466 -9.408 -4.590 1.00 0.00 N ATOM 1592 CA SER A 105 3.997 -10.413 -3.685 1.00 0.00 C ATOM 1593 C SER A 105 3.406 -10.223 -2.287 1.00 0.00 C ATOM 1594 O SER A 105 3.173 -9.109 -1.823 1.00 0.00 O ATOM 1595 CB SER A 105 5.525 -10.350 -3.628 1.00 0.00 C ATOM 1596 OG SER A 105 6.071 -11.382 -2.811 1.00 0.00 O ATOM 0 H SER A 105 4.153 -8.736 -4.931 1.00 0.00 H new ATOM 0 HA SER A 105 3.714 -11.396 -4.062 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.929 -10.434 -4.637 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.834 -9.379 -3.241 1.00 0.00 H new ATOM 0 HG SER A 105 6.549 -10.982 -2.055 1.00 0.00 H new ATOM 1602 N PRO A 106 3.164 -11.353 -1.618 1.00 0.00 N ATOM 1603 CA PRO A 106 2.609 -11.408 -0.283 1.00 0.00 C ATOM 1604 C PRO A 106 3.529 -10.675 0.683 1.00 0.00 C ATOM 1605 O PRO A 106 3.073 -10.284 1.756 1.00 0.00 O ATOM 1606 CB PRO A 106 2.539 -12.896 0.051 1.00 0.00 C ATOM 1607 CG PRO A 106 3.611 -13.554 -0.897 1.00 0.00 C ATOM 1608 CD PRO A 106 3.426 -12.679 -2.134 1.00 0.00 C ATOM 0 HA PRO A 106 1.630 -10.935 -0.211 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.769 -13.080 1.101 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.543 -13.299 -0.133 1.00 0.00 H new ATOM 0 HG2 PRO A 106 4.621 -13.496 -0.491 1.00 0.00 H new ATOM 0 HG3 PRO A 106 3.406 -14.606 -1.094 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.317 -12.689 -2.762 1.00 0.00 H new ATOM 0 HD3 PRO A 106 2.599 -13.034 -2.749 1.00 0.00 H new ATOM 1616 N SER A 107 4.784 -10.505 0.294 1.00 0.00 N ATOM 1617 CA SER A 107 5.744 -9.820 1.143 1.00 0.00 C ATOM 1618 C SER A 107 5.712 -8.316 0.860 1.00 0.00 C ATOM 1619 O SER A 107 5.740 -7.506 1.786 1.00 0.00 O ATOM 1620 CB SER A 107 7.156 -10.370 0.933 1.00 0.00 C ATOM 1621 OG SER A 107 7.694 -9.991 -0.332 1.00 0.00 O ATOM 0 H SER A 107 5.158 -10.830 -0.598 1.00 0.00 H new ATOM 0 HA SER A 107 5.467 -9.994 2.183 1.00 0.00 H new ATOM 0 HB2 SER A 107 7.808 -10.008 1.728 1.00 0.00 H new ATOM 0 HB3 SER A 107 7.136 -11.457 1.008 1.00 0.00 H new ATOM 0 HG SER A 107 8.597 -10.360 -0.427 1.00 0.00 H new ATOM 1627 N GLU A 108 5.655 -7.988 -0.422 1.00 0.00 N ATOM 1628 CA GLU A 108 5.619 -6.597 -0.838 1.00 0.00 C ATOM 1629 C GLU A 108 4.402 -5.893 -0.233 1.00 0.00 C ATOM 1630 O GLU A 108 4.334 -4.665 -0.220 1.00 0.00 O ATOM 1631 CB GLU A 108 5.618 -6.480 -2.363 1.00 0.00 C ATOM 1632 CG GLU A 108 6.818 -7.210 -2.970 1.00 0.00 C ATOM 1633 CD GLU A 108 8.010 -6.264 -3.134 1.00 0.00 C ATOM 1634 OE1 GLU A 108 7.787 -5.159 -3.673 1.00 0.00 O ATOM 1635 OE2 GLU A 108 9.116 -6.668 -2.716 1.00 0.00 O ATOM 0 H GLU A 108 5.633 -8.662 -1.187 1.00 0.00 H new ATOM 0 HA GLU A 108 6.519 -6.105 -0.470 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.694 -6.897 -2.763 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.644 -5.429 -2.651 1.00 0.00 H new ATOM 0 HG2 GLU A 108 7.099 -8.048 -2.332 1.00 0.00 H new ATOM 0 HG3 GLU A 108 6.543 -7.626 -3.939 1.00 0.00 H new ATOM 1642 N LYS A 109 3.472 -6.702 0.252 1.00 0.00 N ATOM 1643 CA LYS A 109 2.261 -6.172 0.857 1.00 0.00 C ATOM 1644 C LYS A 109 2.559 -5.748 2.296 1.00 0.00 C ATOM 1645 O LYS A 109 2.487 -4.565 2.626 1.00 0.00 O ATOM 1646 CB LYS A 109 1.117 -7.181 0.737 1.00 0.00 C ATOM 1647 CG LYS A 109 -0.241 -6.488 0.867 1.00 0.00 C ATOM 1648 CD LYS A 109 -0.823 -6.159 -0.510 1.00 0.00 C ATOM 1649 CE LYS A 109 -1.249 -7.433 -1.243 1.00 0.00 C ATOM 1650 NZ LYS A 109 -1.336 -7.188 -2.700 1.00 0.00 N ATOM 0 H LYS A 109 3.532 -7.720 0.239 1.00 0.00 H new ATOM 0 HA LYS A 109 1.927 -5.281 0.325 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.178 -7.693 -0.224 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.216 -7.942 1.511 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.931 -7.131 1.413 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.132 -5.572 1.448 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.681 -5.496 -0.397 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.082 -5.624 -1.104 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -0.533 -8.231 -1.044 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -2.215 -7.771 -0.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -0.754 -7.887 -3.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.326 -7.274 -3.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -0.990 -6.231 -2.912 1.00 0.00 H new ATOM 1664 N ALA A 110 2.886 -6.737 3.115 1.00 0.00 N ATOM 1665 CA ALA A 110 3.195 -6.481 4.512 1.00 0.00 C ATOM 1666 C ALA A 110 4.278 -5.404 4.601 1.00 0.00 C ATOM 1667 O ALA A 110 4.435 -4.761 5.638 1.00 0.00 O ATOM 1668 CB ALA A 110 3.613 -7.787 5.190 1.00 0.00 C ATOM 0 H ALA A 110 2.944 -7.717 2.838 1.00 0.00 H new ATOM 0 HA ALA A 110 2.316 -6.108 5.038 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.845 -7.595 6.238 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.798 -8.508 5.125 1.00 0.00 H new ATOM 0 HB3 ALA A 110 4.495 -8.190 4.691 1.00 0.00 H new ATOM 1674 N ASN A 111 4.998 -5.241 3.501 1.00 0.00 N ATOM 1675 CA ASN A 111 6.062 -4.253 3.442 1.00 0.00 C ATOM 1676 C ASN A 111 5.448 -2.855 3.348 1.00 0.00 C ATOM 1677 O ASN A 111 5.968 -1.905 3.932 1.00 0.00 O ATOM 1678 CB ASN A 111 6.943 -4.466 2.210 1.00 0.00 C ATOM 1679 CG ASN A 111 8.268 -3.713 2.347 1.00 0.00 C ATOM 1680 OD1 ASN A 111 9.327 -4.294 2.520 1.00 0.00 O ATOM 1681 ND2 ASN A 111 8.150 -2.391 2.262 1.00 0.00 N ATOM 0 H ASN A 111 4.866 -5.777 2.643 1.00 0.00 H new ATOM 0 HA ASN A 111 6.669 -4.356 4.342 1.00 0.00 H new ATOM 0 HB2 ASN A 111 7.137 -5.530 2.077 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.417 -4.124 1.319 1.00 0.00 H new ATOM 0 HD21 ASN A 111 8.977 -1.799 2.342 1.00 0.00 H new ATOM 0 HD22 ASN A 111 7.233 -1.969 2.116 1.00 0.00 H new ATOM 1688 N PHE A 112 4.351 -2.773 2.610 1.00 0.00 N ATOM 1689 CA PHE A 112 3.662 -1.506 2.432 1.00 0.00 C ATOM 1690 C PHE A 112 2.797 -1.177 3.651 1.00 0.00 C ATOM 1691 O PHE A 112 2.801 -0.045 4.132 1.00 0.00 O ATOM 1692 CB PHE A 112 2.759 -1.656 1.207 1.00 0.00 C ATOM 1693 CG PHE A 112 2.009 -0.378 0.825 1.00 0.00 C ATOM 1694 CD1 PHE A 112 2.702 0.760 0.550 1.00 0.00 C ATOM 1695 CD2 PHE A 112 0.651 -0.380 0.762 1.00 0.00 C ATOM 1696 CE1 PHE A 112 2.006 1.946 0.196 1.00 0.00 C ATOM 1697 CE2 PHE A 112 -0.045 0.807 0.408 1.00 0.00 C ATOM 1698 CZ PHE A 112 0.647 1.945 0.132 1.00 0.00 C ATOM 0 H PHE A 112 3.922 -3.563 2.128 1.00 0.00 H new ATOM 0 HA PHE A 112 4.388 -0.702 2.306 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.365 -1.976 0.359 1.00 0.00 H new ATOM 0 HB3 PHE A 112 2.034 -2.447 1.398 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.781 0.761 0.601 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.101 -1.284 0.981 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.556 2.849 -0.023 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -1.124 0.806 0.358 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.118 2.847 -0.138 1.00 0.00 H new ATOM 1708 N ILE A 113 2.077 -2.187 4.115 1.00 0.00 N ATOM 1709 CA ILE A 113 1.209 -2.019 5.269 1.00 0.00 C ATOM 1710 C ILE A 113 2.026 -1.472 6.441 1.00 0.00 C ATOM 1711 O ILE A 113 1.579 -0.569 7.146 1.00 0.00 O ATOM 1712 CB ILE A 113 0.479 -3.326 5.585 1.00 0.00 C ATOM 1713 CG1 ILE A 113 -0.704 -3.536 4.637 1.00 0.00 C ATOM 1714 CG2 ILE A 113 0.053 -3.375 7.053 1.00 0.00 C ATOM 1715 CD1 ILE A 113 -0.650 -4.921 3.990 1.00 0.00 C ATOM 0 H ILE A 113 2.076 -3.125 3.713 1.00 0.00 H new ATOM 0 HA ILE A 113 0.429 -1.289 5.056 1.00 0.00 H new ATOM 0 HB ILE A 113 1.172 -4.152 5.423 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.639 -3.424 5.186 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.695 -2.769 3.863 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.464 -4.314 7.251 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.935 -3.305 7.690 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.616 -2.541 7.266 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.502 -5.044 3.321 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.275 -5.021 3.422 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.684 -5.686 4.765 1.00 0.00 H new ATOM 1727 N ALA A 114 3.209 -2.043 6.614 1.00 0.00 N ATOM 1728 CA ALA A 114 4.093 -1.624 7.688 1.00 0.00 C ATOM 1729 C ALA A 114 4.438 -0.144 7.511 1.00 0.00 C ATOM 1730 O ALA A 114 4.010 0.722 8.270 1.00 0.00 O ATOM 1731 CB ALA A 114 5.336 -2.515 7.704 1.00 0.00 C ATOM 0 H ALA A 114 3.576 -2.793 6.028 1.00 0.00 H new ATOM 0 HA ALA A 114 3.601 -1.734 8.654 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.999 -2.200 8.510 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.039 -3.552 7.863 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.858 -2.429 6.751 1.00 0.00 H new ATOM 1737 N TYR A 115 5.235 0.129 6.475 1.00 0.00 N ATOM 1738 CA TYR A 115 5.657 1.482 6.173 1.00 0.00 C ATOM 1739 C TYR A 115 4.511 2.450 6.433 1.00 0.00 C ATOM 1740 O TYR A 115 4.733 3.473 7.078 1.00 0.00 O ATOM 1741 CB TYR A 115 6.109 1.558 4.717 1.00 0.00 C ATOM 1742 CG TYR A 115 7.305 2.455 4.504 1.00 0.00 C ATOM 1743 CD1 TYR A 115 8.599 1.929 4.596 1.00 0.00 C ATOM 1744 CD2 TYR A 115 7.120 3.812 4.214 1.00 0.00 C ATOM 1745 CE1 TYR A 115 9.708 2.759 4.398 1.00 0.00 C ATOM 1746 CE2 TYR A 115 8.230 4.643 4.016 1.00 0.00 C ATOM 1747 CZ TYR A 115 9.524 4.116 4.108 1.00 0.00 C ATOM 1748 OH TYR A 115 10.605 4.926 3.915 1.00 0.00 O ATOM 0 H TYR A 115 5.597 -0.577 5.835 1.00 0.00 H new ATOM 0 HA TYR A 115 6.493 1.759 6.815 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.350 0.554 4.367 1.00 0.00 H new ATOM 0 HB3 TYR A 115 5.281 1.918 4.106 1.00 0.00 H new ATOM 0 HD1 TYR A 115 8.741 0.882 4.820 1.00 0.00 H new ATOM 0 HD2 TYR A 115 6.122 4.218 4.143 1.00 0.00 H new ATOM 0 HE1 TYR A 115 10.706 2.353 4.469 1.00 0.00 H new ATOM 0 HE2 TYR A 115 8.088 5.690 3.792 1.00 0.00 H new ATOM 0 HH TYR A 115 11.359 4.597 4.447 1.00 0.00 H new ATOM 1758 N LEU A 116 3.329 2.116 5.938 1.00 0.00 N ATOM 1759 CA LEU A 116 2.169 2.970 6.130 1.00 0.00 C ATOM 1760 C LEU A 116 1.900 3.128 7.628 1.00 0.00 C ATOM 1761 O LEU A 116 2.005 4.228 8.169 1.00 0.00 O ATOM 1762 CB LEU A 116 0.972 2.434 5.343 1.00 0.00 C ATOM 1763 CG LEU A 116 0.970 2.726 3.841 1.00 0.00 C ATOM 1764 CD1 LEU A 116 0.002 1.799 3.103 1.00 0.00 C ATOM 1765 CD2 LEU A 116 0.670 4.201 3.570 1.00 0.00 C ATOM 0 H LEU A 116 3.149 1.266 5.404 1.00 0.00 H new ATOM 0 HA LEU A 116 2.360 3.967 5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.925 1.354 5.483 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.062 2.851 5.775 1.00 0.00 H new ATOM 0 HG LEU A 116 1.968 2.524 3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.020 2.028 2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.302 0.763 3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.007 1.945 3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.675 4.382 2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.309 4.454 3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.431 4.820 4.045 1.00 0.00 H new ATOM 1777 N LEU A 117 1.557 2.013 8.256 1.00 0.00 N ATOM 1778 CA LEU A 117 1.272 2.014 9.680 1.00 0.00 C ATOM 1779 C LEU A 117 2.296 2.893 10.401 1.00 0.00 C ATOM 1780 O LEU A 117 1.956 3.596 11.351 1.00 0.00 O ATOM 1781 CB LEU A 117 1.207 0.581 10.215 1.00 0.00 C ATOM 1782 CG LEU A 117 0.062 -0.282 9.682 1.00 0.00 C ATOM 1783 CD1 LEU A 117 0.308 -1.763 9.978 1.00 0.00 C ATOM 1784 CD2 LEU A 117 -1.285 0.196 10.230 1.00 0.00 C ATOM 0 H LEU A 117 1.470 1.103 7.804 1.00 0.00 H new ATOM 0 HA LEU A 117 0.290 2.446 9.871 1.00 0.00 H new ATOM 0 HB2 LEU A 117 2.149 0.084 9.982 1.00 0.00 H new ATOM 0 HB3 LEU A 117 1.129 0.623 11.301 1.00 0.00 H new ATOM 0 HG LEU A 117 0.027 -0.172 8.598 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.521 -2.354 9.589 1.00 0.00 H new ATOM 0 HD12 LEU A 117 1.236 -2.080 9.501 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.385 -1.911 11.055 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.082 -0.434 9.836 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -1.278 0.134 11.318 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.455 1.229 9.927 1.00 0.00 H new ATOM 1796 N THR A 118 3.529 2.825 9.921 1.00 0.00 N ATOM 1797 CA THR A 118 4.605 3.606 10.507 1.00 0.00 C ATOM 1798 C THR A 118 4.442 5.086 10.155 1.00 0.00 C ATOM 1799 O THR A 118 4.619 5.954 11.008 1.00 0.00 O ATOM 1800 CB THR A 118 5.933 3.011 10.035 1.00 0.00 C ATOM 1801 OG1 THR A 118 6.531 2.507 11.226 1.00 0.00 O ATOM 1802 CG2 THR A 118 6.913 4.080 9.548 1.00 0.00 C ATOM 0 H THR A 118 3.807 2.241 9.132 1.00 0.00 H new ATOM 0 HA THR A 118 4.581 3.559 11.596 1.00 0.00 H new ATOM 0 HB THR A 118 5.746 2.298 9.232 1.00 0.00 H new ATOM 0 HG1 THR A 118 7.458 2.247 11.042 1.00 0.00 H new ATOM 0 HG21 THR A 118 7.839 3.604 9.225 1.00 0.00 H new ATOM 0 HG22 THR A 118 6.473 4.623 8.712 1.00 0.00 H new ATOM 0 HG23 THR A 118 7.127 4.775 10.360 1.00 0.00 H new