USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 838 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 Single : A 1 ASN : amide:sc= -0.886 K(o=-0.89,f=0.068) USER MOD Single : A 1 ASN N :NH3+ -166:sc= -0.601 (180deg=-1.2) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc= -0.623 K(o=-0.62,f=-0.032) USER MOD Single : A 8 SER OG : rot 180:sc= -0.0312 USER MOD Single : A 11 ASN : amide:sc= -3.19! K(o=-3.2!,f=0.51) USER MOD Single : A 15 ASN : amide:sc= -0.448 K(o=-0.45,f=-5.8!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -65:sc= 0.953 USER MOD Single : A 31 THR OG1 : rot -75:sc= 0.2 USER MOD Single : A 33 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.286) USER MOD Single : A 35 TYR OH : rot -149:sc= -5.16! USER MOD Single : A 39 SER OG : rot 93:sc= 0.931 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -51:sc= 0.154 USER MOD Single : A 50 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-0.18) USER MOD Single : A 55 TYR OH : rot 165:sc= -0.453 USER MOD Single : A 56 ASN : amide:sc= -8.17! C(o=-8.2!,f=-1.5!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -43:sc= 0.335 USER MOD Single : A 63 ASN : amide:sc= -2.05 K(o=-2.1,f=-4.1!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.241! USER MOD Single : A 68 ASN : amide:sc= -0.0716 X(o=-0.072,f=-0.072) USER MOD Single : A 69 THR OG1 : rot -17:sc= 0.562 USER MOD Single : A 73 HIS : no HE2:sc= -0.138! C(o=-0.14!,f=-5.5!) USER MOD Single : A 75 HIS : no HD1:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 76 ASN : amide:sc= -1.36 K(o=-1.4,f=-4.2!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 141:sc= -0.216 (180deg=-1.14!) USER MOD Single : A 84 SER OG : rot 180:sc= -0.0404 USER MOD Single : A 88 THR OG1 : rot -6:sc= 0.239! USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.3) USER MOD Single : A 99 ASN : amide:sc= -0.0209 K(o=-0.021,f=-1.7!) USER MOD Single : A 102 THR OG1 : rot -35:sc= 0.466 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -22.726 -6.599 -9.809 1.00 0.00 N ATOM 2 CA ASN A 1 -21.492 -6.414 -8.993 1.00 0.00 C ATOM 3 C ASN A 1 -21.308 -4.928 -8.680 1.00 0.00 C ATOM 4 O ASN A 1 -20.418 -4.545 -7.945 1.00 0.00 O ATOM 5 CB ASN A 1 -20.281 -6.925 -9.777 1.00 0.00 C ATOM 6 CG ASN A 1 -20.372 -8.444 -9.925 1.00 0.00 C ATOM 7 OD1 ASN A 1 -19.655 -9.174 -9.270 1.00 0.00 O ATOM 8 ND2 ASN A 1 -21.230 -8.955 -10.765 1.00 0.00 N ATOM 0 H1 ASN A 1 -22.985 -7.606 -9.824 1.00 0.00 H new ATOM 0 H2 ASN A 1 -23.503 -6.048 -9.393 1.00 0.00 H new ATOM 0 H3 ASN A 1 -22.552 -6.272 -10.781 1.00 0.00 H new ATOM 0 HA ASN A 1 -21.583 -6.973 -8.062 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -20.246 -6.455 -10.760 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -19.360 -6.654 -9.261 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -21.299 -9.967 -10.872 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -21.832 -8.342 -11.315 1.00 0.00 H new ATOM 17 N GLN A 2 -22.135 -4.087 -9.238 1.00 0.00 N ATOM 18 CA GLN A 2 -22.004 -2.626 -8.976 1.00 0.00 C ATOM 19 C GLN A 2 -22.467 -2.318 -7.548 1.00 0.00 C ATOM 20 O GLN A 2 -23.362 -1.524 -7.332 1.00 0.00 O ATOM 21 CB GLN A 2 -22.867 -1.850 -9.981 1.00 0.00 C ATOM 22 CG GLN A 2 -22.480 -0.367 -9.961 1.00 0.00 C ATOM 23 CD GLN A 2 -23.300 0.389 -11.007 1.00 0.00 C ATOM 24 OE1 GLN A 2 -22.883 0.531 -12.139 1.00 0.00 O ATOM 25 NE2 GLN A 2 -24.461 0.885 -10.673 1.00 0.00 N ATOM 0 H GLN A 2 -22.896 -4.349 -9.864 1.00 0.00 H new ATOM 0 HA GLN A 2 -20.962 -2.326 -9.087 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -22.730 -2.258 -10.983 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -23.922 -1.963 -9.732 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -22.658 0.053 -8.971 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -21.416 -0.255 -10.168 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -24.812 0.766 -9.723 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -25.017 1.391 -11.362 1.00 0.00 H new ATOM 34 N GLY A 3 -21.865 -2.942 -6.570 1.00 0.00 N ATOM 35 CA GLY A 3 -22.268 -2.690 -5.153 1.00 0.00 C ATOM 36 C GLY A 3 -21.109 -3.057 -4.225 1.00 0.00 C ATOM 37 O GLY A 3 -21.292 -3.274 -3.043 1.00 0.00 O ATOM 0 H GLY A 3 -21.110 -3.617 -6.691 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -22.537 -1.642 -5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -23.150 -3.280 -4.903 1.00 0.00 H new ATOM 41 N ASP A 4 -19.916 -3.126 -4.751 1.00 0.00 N ATOM 42 CA ASP A 4 -18.743 -3.477 -3.901 1.00 0.00 C ATOM 43 C ASP A 4 -17.457 -3.296 -4.710 1.00 0.00 C ATOM 44 O ASP A 4 -17.492 -3.048 -5.899 1.00 0.00 O ATOM 45 CB ASP A 4 -18.860 -4.934 -3.447 1.00 0.00 C ATOM 46 CG ASP A 4 -19.055 -5.834 -4.668 1.00 0.00 C ATOM 47 OD1 ASP A 4 -18.808 -5.369 -5.769 1.00 0.00 O ATOM 48 OD2 ASP A 4 -19.448 -6.974 -4.482 1.00 0.00 O ATOM 0 H ASP A 4 -19.703 -2.954 -5.734 1.00 0.00 H new ATOM 0 HA ASP A 4 -18.718 -2.826 -3.027 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -17.963 -5.230 -2.903 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -19.700 -5.046 -2.761 1.00 0.00 H new ATOM 53 N ASN A 5 -16.321 -3.420 -4.077 1.00 0.00 N ATOM 54 CA ASN A 5 -15.031 -3.255 -4.806 1.00 0.00 C ATOM 55 C ASN A 5 -13.921 -3.947 -4.013 1.00 0.00 C ATOM 56 O ASN A 5 -13.704 -3.663 -2.850 1.00 0.00 O ATOM 57 CB ASN A 5 -14.710 -1.765 -4.947 1.00 0.00 C ATOM 58 CG ASN A 5 -13.354 -1.595 -5.633 1.00 0.00 C ATOM 59 OD1 ASN A 5 -12.603 -0.697 -5.307 1.00 0.00 O ATOM 60 ND2 ASN A 5 -13.005 -2.426 -6.576 1.00 0.00 N ATOM 0 H ASN A 5 -16.231 -3.629 -3.083 1.00 0.00 H new ATOM 0 HA ASN A 5 -15.107 -3.700 -5.798 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -15.487 -1.269 -5.528 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -14.694 -1.292 -3.965 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -12.102 -2.322 -7.039 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -13.635 -3.180 -6.850 1.00 0.00 H new ATOM 67 N GLU A 6 -13.222 -4.859 -4.632 1.00 0.00 N ATOM 68 CA GLU A 6 -12.128 -5.581 -3.919 1.00 0.00 C ATOM 69 C GLU A 6 -11.188 -6.226 -4.942 1.00 0.00 C ATOM 70 O GLU A 6 -11.589 -6.565 -6.038 1.00 0.00 O ATOM 71 CB GLU A 6 -12.739 -6.667 -3.026 1.00 0.00 C ATOM 72 CG GLU A 6 -13.456 -7.709 -3.894 1.00 0.00 C ATOM 73 CD GLU A 6 -14.310 -8.616 -3.006 1.00 0.00 C ATOM 74 OE1 GLU A 6 -15.427 -8.231 -2.700 1.00 0.00 O ATOM 75 OE2 GLU A 6 -13.834 -9.681 -2.648 1.00 0.00 O ATOM 0 H GLU A 6 -13.361 -5.136 -5.604 1.00 0.00 H new ATOM 0 HA GLU A 6 -11.564 -4.878 -3.306 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -11.959 -7.147 -2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.442 -6.220 -2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.084 -7.211 -4.633 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -12.726 -8.304 -4.444 1.00 0.00 H new ATOM 82 N ILE A 7 -9.936 -6.408 -4.585 1.00 0.00 N ATOM 83 CA ILE A 7 -8.948 -7.046 -5.520 1.00 0.00 C ATOM 84 C ILE A 7 -8.101 -8.042 -4.729 1.00 0.00 C ATOM 85 O ILE A 7 -8.016 -7.978 -3.518 1.00 0.00 O ATOM 86 CB ILE A 7 -8.018 -5.984 -6.128 1.00 0.00 C ATOM 87 CG1 ILE A 7 -8.848 -4.870 -6.780 1.00 0.00 C ATOM 88 CG2 ILE A 7 -7.115 -6.636 -7.187 1.00 0.00 C ATOM 89 CD1 ILE A 7 -7.936 -3.706 -7.174 1.00 0.00 C ATOM 0 H ILE A 7 -9.553 -6.140 -3.679 1.00 0.00 H new ATOM 0 HA ILE A 7 -9.489 -7.546 -6.323 1.00 0.00 H new ATOM 0 HB ILE A 7 -7.403 -5.555 -5.337 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.362 -5.255 -7.661 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.616 -4.524 -6.088 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.456 -5.882 -7.617 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.516 -7.419 -6.722 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.732 -7.070 -7.974 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -8.531 -2.918 -7.636 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.442 -3.314 -6.285 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.185 -4.056 -7.882 1.00 0.00 H new ATOM 101 N SER A 8 -7.479 -8.968 -5.406 1.00 0.00 N ATOM 102 CA SER A 8 -6.632 -9.989 -4.709 1.00 0.00 C ATOM 103 C SER A 8 -5.402 -10.302 -5.555 1.00 0.00 C ATOM 104 O SER A 8 -5.444 -10.289 -6.769 1.00 0.00 O ATOM 105 CB SER A 8 -7.445 -11.268 -4.506 1.00 0.00 C ATOM 106 OG SER A 8 -8.533 -10.999 -3.632 1.00 0.00 O ATOM 0 H SER A 8 -7.519 -9.065 -6.421 1.00 0.00 H new ATOM 0 HA SER A 8 -6.315 -9.596 -3.743 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.815 -11.633 -5.464 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.813 -12.052 -4.088 1.00 0.00 H new ATOM 0 HG SER A 8 -9.057 -11.817 -3.501 1.00 0.00 H new ATOM 112 N VAL A 9 -4.302 -10.588 -4.910 1.00 0.00 N ATOM 113 CA VAL A 9 -3.040 -10.913 -5.648 1.00 0.00 C ATOM 114 C VAL A 9 -2.294 -12.014 -4.893 1.00 0.00 C ATOM 115 O VAL A 9 -1.547 -11.752 -3.971 1.00 0.00 O ATOM 116 CB VAL A 9 -2.160 -9.665 -5.728 1.00 0.00 C ATOM 117 CG1 VAL A 9 -0.961 -9.945 -6.636 1.00 0.00 C ATOM 118 CG2 VAL A 9 -2.974 -8.505 -6.304 1.00 0.00 C ATOM 0 H VAL A 9 -4.221 -10.611 -3.894 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.278 -11.251 -6.656 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.808 -9.403 -4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.333 -9.056 -6.694 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.381 -10.773 -6.228 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.313 -10.206 -7.634 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.348 -7.615 -6.362 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.325 -8.767 -7.302 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.830 -8.306 -5.659 1.00 0.00 H new ATOM 128 N GLY A 10 -2.497 -13.247 -5.273 1.00 0.00 N ATOM 129 CA GLY A 10 -1.808 -14.371 -4.574 1.00 0.00 C ATOM 130 C GLY A 10 -2.554 -14.685 -3.276 1.00 0.00 C ATOM 131 O GLY A 10 -3.717 -15.035 -3.289 1.00 0.00 O ATOM 0 H GLY A 10 -3.111 -13.525 -6.038 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.781 -15.252 -5.215 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.774 -14.102 -4.358 1.00 0.00 H new ATOM 135 N ASN A 11 -1.892 -14.559 -2.152 1.00 0.00 N ATOM 136 CA ASN A 11 -2.550 -14.845 -0.837 1.00 0.00 C ATOM 137 C ASN A 11 -2.949 -13.525 -0.172 1.00 0.00 C ATOM 138 O ASN A 11 -3.319 -13.495 0.988 1.00 0.00 O ATOM 139 CB ASN A 11 -1.561 -15.583 0.068 1.00 0.00 C ATOM 140 CG ASN A 11 -0.253 -14.793 0.147 1.00 0.00 C ATOM 141 OD1 ASN A 11 0.078 -14.247 1.181 1.00 0.00 O ATOM 142 ND2 ASN A 11 0.508 -14.707 -0.909 1.00 0.00 N ATOM 0 H ASN A 11 -0.916 -14.268 -2.088 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.437 -15.459 -0.996 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.985 -15.705 1.065 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.371 -16.583 -0.322 1.00 0.00 H new ATOM 0 HD21 ASN A 11 1.381 -14.181 -0.867 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.230 -15.165 -1.777 1.00 0.00 H new ATOM 149 N LEU A 12 -2.861 -12.430 -0.891 1.00 0.00 N ATOM 150 CA LEU A 12 -3.214 -11.101 -0.323 1.00 0.00 C ATOM 151 C LEU A 12 -4.575 -10.679 -0.875 1.00 0.00 C ATOM 152 O LEU A 12 -4.800 -10.674 -2.069 1.00 0.00 O ATOM 153 CB LEU A 12 -2.119 -10.115 -0.752 1.00 0.00 C ATOM 154 CG LEU A 12 -2.539 -8.662 -0.514 1.00 0.00 C ATOM 155 CD1 LEU A 12 -2.937 -8.458 0.953 1.00 0.00 C ATOM 156 CD2 LEU A 12 -1.361 -7.744 -0.856 1.00 0.00 C ATOM 0 H LEU A 12 -2.554 -12.407 -1.863 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.278 -11.128 0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.204 -10.324 -0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.893 -10.260 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.395 -8.425 -1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.233 -7.421 1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.772 -9.115 1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.089 -8.693 1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.649 -6.706 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.511 -7.991 -0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.084 -7.881 -1.901 1.00 0.00 H new ATOM 168 N ARG A 13 -5.477 -10.323 -0.002 1.00 0.00 N ATOM 169 CA ARG A 13 -6.849 -9.884 -0.426 1.00 0.00 C ATOM 170 C ARG A 13 -7.116 -8.488 0.132 1.00 0.00 C ATOM 171 O ARG A 13 -6.822 -8.208 1.274 1.00 0.00 O ATOM 172 CB ARG A 13 -7.889 -10.862 0.124 1.00 0.00 C ATOM 173 CG ARG A 13 -7.674 -12.242 -0.503 1.00 0.00 C ATOM 174 CD ARG A 13 -8.813 -13.174 -0.086 1.00 0.00 C ATOM 175 NE ARG A 13 -8.788 -13.359 1.392 1.00 0.00 N ATOM 176 CZ ARG A 13 -9.790 -13.938 1.995 1.00 0.00 C ATOM 177 NH1 ARG A 13 -10.815 -14.358 1.304 1.00 0.00 N ATOM 178 NH2 ARG A 13 -9.768 -14.098 3.290 1.00 0.00 N ATOM 0 H ARG A 13 -5.324 -10.316 1.006 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.913 -9.865 -1.514 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.805 -10.927 1.209 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.894 -10.503 -0.097 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.637 -12.158 -1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.717 -12.654 -0.183 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.771 -12.756 -0.395 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.710 -14.137 -0.586 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.987 -13.033 1.933 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.833 -14.234 0.292 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.598 -14.810 1.776 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.968 -13.770 3.831 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.551 -14.551 3.761 1.00 0.00 H new ATOM 192 N LEU A 14 -7.663 -7.606 -0.675 1.00 0.00 N ATOM 193 CA LEU A 14 -7.951 -6.207 -0.215 1.00 0.00 C ATOM 194 C LEU A 14 -9.403 -5.848 -0.542 1.00 0.00 C ATOM 195 O LEU A 14 -9.819 -5.890 -1.683 1.00 0.00 O ATOM 196 CB LEU A 14 -7.002 -5.241 -0.941 1.00 0.00 C ATOM 197 CG LEU A 14 -7.255 -3.773 -0.476 1.00 0.00 C ATOM 198 CD1 LEU A 14 -5.925 -3.030 -0.299 1.00 0.00 C ATOM 199 CD2 LEU A 14 -8.101 -3.014 -1.511 1.00 0.00 C ATOM 0 H LEU A 14 -7.925 -7.798 -1.642 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.800 -6.132 0.862 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.967 -5.519 -0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.150 -5.318 -2.018 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.787 -3.815 0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.120 -2.008 0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.320 -3.540 0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.388 -3.014 -1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.266 -1.993 -1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.577 -2.995 -2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.061 -3.515 -1.634 1.00 0.00 H new ATOM 211 N ASN A 15 -10.180 -5.505 0.464 1.00 0.00 N ATOM 212 CA ASN A 15 -11.625 -5.147 0.247 1.00 0.00 C ATOM 213 C ASN A 15 -11.851 -3.656 0.531 1.00 0.00 C ATOM 214 O ASN A 15 -11.848 -3.222 1.666 1.00 0.00 O ATOM 215 CB ASN A 15 -12.486 -5.976 1.202 1.00 0.00 C ATOM 216 CG ASN A 15 -12.454 -7.444 0.771 1.00 0.00 C ATOM 217 OD1 ASN A 15 -11.455 -7.919 0.267 1.00 0.00 O ATOM 218 ND2 ASN A 15 -13.511 -8.188 0.948 1.00 0.00 N ATOM 0 H ASN A 15 -9.872 -5.457 1.435 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.897 -5.355 -0.788 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -12.115 -5.877 2.222 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -13.512 -5.607 1.198 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.499 -9.167 0.664 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -14.350 -7.790 1.371 1.00 0.00 H new ATOM 225 N VAL A 16 -12.053 -2.871 -0.496 1.00 0.00 N ATOM 226 CA VAL A 16 -12.288 -1.408 -0.300 1.00 0.00 C ATOM 227 C VAL A 16 -13.674 -1.189 0.299 1.00 0.00 C ATOM 228 O VAL A 16 -13.916 -0.227 1.001 1.00 0.00 O ATOM 229 CB VAL A 16 -12.220 -0.695 -1.651 1.00 0.00 C ATOM 230 CG1 VAL A 16 -12.319 0.817 -1.439 1.00 0.00 C ATOM 231 CG2 VAL A 16 -10.896 -1.026 -2.341 1.00 0.00 C ATOM 0 H VAL A 16 -12.065 -3.182 -1.467 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.526 -1.010 0.371 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.048 -1.029 -2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.270 1.324 -2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.264 1.055 -0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.493 1.151 -0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.850 -0.517 -3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.067 -0.695 -1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.826 -2.103 -2.496 1.00 0.00 H new ATOM 241 N THR A 17 -14.587 -2.073 0.024 1.00 0.00 N ATOM 242 CA THR A 17 -15.963 -1.920 0.569 1.00 0.00 C ATOM 243 C THR A 17 -15.925 -2.079 2.091 1.00 0.00 C ATOM 244 O THR A 17 -16.369 -1.218 2.825 1.00 0.00 O ATOM 245 CB THR A 17 -16.892 -2.988 -0.051 1.00 0.00 C ATOM 246 OG1 THR A 17 -17.887 -3.360 0.894 1.00 0.00 O ATOM 247 CG2 THR A 17 -16.081 -4.226 -0.449 1.00 0.00 C ATOM 0 H THR A 17 -14.440 -2.899 -0.557 1.00 0.00 H new ATOM 0 HA THR A 17 -16.347 -0.931 0.319 1.00 0.00 H new ATOM 0 HB THR A 17 -17.366 -2.571 -0.939 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.476 -4.036 0.499 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.746 -4.972 -0.885 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.323 -3.945 -1.180 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.597 -4.643 0.434 1.00 0.00 H new ATOM 255 N ARG A 18 -15.389 -3.169 2.575 1.00 0.00 N ATOM 256 CA ARG A 18 -15.311 -3.377 4.051 1.00 0.00 C ATOM 257 C ARG A 18 -14.066 -2.669 4.579 1.00 0.00 C ATOM 258 O ARG A 18 -13.943 -2.397 5.756 1.00 0.00 O ATOM 259 CB ARG A 18 -15.214 -4.875 4.350 1.00 0.00 C ATOM 260 CG ARG A 18 -16.396 -5.600 3.702 1.00 0.00 C ATOM 261 CD ARG A 18 -16.420 -7.057 4.168 1.00 0.00 C ATOM 262 NE ARG A 18 -16.522 -7.102 5.654 1.00 0.00 N ATOM 263 CZ ARG A 18 -16.563 -8.251 6.271 1.00 0.00 C ATOM 264 NH1 ARG A 18 -16.513 -9.362 5.587 1.00 0.00 N ATOM 265 NH2 ARG A 18 -16.653 -8.290 7.572 1.00 0.00 N ATOM 0 H ARG A 18 -15.001 -3.925 2.011 1.00 0.00 H new ATOM 0 HA ARG A 18 -16.201 -2.973 4.533 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.274 -5.273 3.967 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.216 -5.043 5.427 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -17.330 -5.106 3.970 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -16.312 -5.556 2.616 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -17.265 -7.580 3.719 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.516 -7.570 3.839 1.00 0.00 H new ATOM 0 HE ARG A 18 -16.560 -6.234 6.189 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.442 -9.332 4.570 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -16.545 -10.260 6.070 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.691 -7.422 8.107 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.685 -9.188 8.054 1.00 0.00 H new ATOM 279 N ARG A 19 -13.142 -2.373 3.706 1.00 0.00 N ATOM 280 CA ARG A 19 -11.893 -1.683 4.132 1.00 0.00 C ATOM 281 C ARG A 19 -11.092 -2.626 5.043 1.00 0.00 C ATOM 282 O ARG A 19 -10.905 -2.370 6.217 1.00 0.00 O ATOM 283 CB ARG A 19 -12.265 -0.377 4.877 1.00 0.00 C ATOM 284 CG ARG A 19 -11.157 0.685 4.736 1.00 0.00 C ATOM 285 CD ARG A 19 -9.925 0.289 5.559 1.00 0.00 C ATOM 286 NE ARG A 19 -10.327 0.000 6.966 1.00 0.00 N ATOM 287 CZ ARG A 19 -9.416 -0.252 7.867 1.00 0.00 C ATOM 288 NH1 ARG A 19 -8.154 -0.252 7.538 1.00 0.00 N ATOM 289 NH2 ARG A 19 -9.769 -0.503 9.098 1.00 0.00 N ATOM 0 H ARG A 19 -13.200 -2.581 2.709 1.00 0.00 H new ATOM 0 HA ARG A 19 -11.281 -1.426 3.267 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.201 0.016 4.480 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.432 -0.593 5.932 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.881 0.794 3.687 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -11.529 1.654 5.070 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.450 -0.588 5.120 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.190 1.093 5.539 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.314 -0.001 7.224 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.878 -0.055 6.576 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.443 -0.449 8.243 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.756 -0.502 9.356 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.058 -0.700 9.802 1.00 0.00 H new ATOM 303 N LEU A 20 -10.611 -3.716 4.501 1.00 0.00 N ATOM 304 CA LEU A 20 -9.814 -4.690 5.304 1.00 0.00 C ATOM 305 C LEU A 20 -8.776 -5.346 4.389 1.00 0.00 C ATOM 306 O LEU A 20 -8.927 -5.364 3.184 1.00 0.00 O ATOM 307 CB LEU A 20 -10.734 -5.780 5.882 1.00 0.00 C ATOM 308 CG LEU A 20 -11.617 -5.222 7.015 1.00 0.00 C ATOM 309 CD1 LEU A 20 -12.603 -6.313 7.448 1.00 0.00 C ATOM 310 CD2 LEU A 20 -10.752 -4.791 8.224 1.00 0.00 C ATOM 0 H LEU A 20 -10.739 -3.975 3.523 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.324 -4.167 6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.366 -6.184 5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.131 -6.605 6.260 1.00 0.00 H new ATOM 0 HG LEU A 20 -12.155 -4.346 6.653 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.236 -5.934 8.250 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -13.225 -6.599 6.600 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -12.050 -7.183 7.803 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -11.396 -4.400 9.012 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.199 -5.651 8.601 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.050 -4.017 7.912 1.00 0.00 H new ATOM 322 N VAL A 21 -7.720 -5.883 4.952 1.00 0.00 N ATOM 323 CA VAL A 21 -6.661 -6.542 4.120 1.00 0.00 C ATOM 324 C VAL A 21 -6.170 -7.808 4.824 1.00 0.00 C ATOM 325 O VAL A 21 -5.807 -7.780 5.983 1.00 0.00 O ATOM 326 CB VAL A 21 -5.483 -5.584 3.950 1.00 0.00 C ATOM 327 CG1 VAL A 21 -4.468 -6.188 2.979 1.00 0.00 C ATOM 328 CG2 VAL A 21 -5.984 -4.250 3.398 1.00 0.00 C ATOM 0 H VAL A 21 -7.545 -5.894 5.957 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.077 -6.799 3.146 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.008 -5.421 4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.628 -5.504 2.858 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.108 -7.138 3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.943 -6.353 2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.143 -3.567 3.277 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.461 -4.412 2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.706 -3.817 4.091 1.00 0.00 H new ATOM 338 N TRP A 22 -6.152 -8.921 4.128 1.00 0.00 N ATOM 339 CA TRP A 22 -5.678 -10.205 4.741 1.00 0.00 C ATOM 340 C TRP A 22 -4.269 -10.521 4.231 1.00 0.00 C ATOM 341 O TRP A 22 -3.917 -10.204 3.112 1.00 0.00 O ATOM 342 CB TRP A 22 -6.623 -11.338 4.337 1.00 0.00 C ATOM 343 CG TRP A 22 -7.961 -11.121 4.969 1.00 0.00 C ATOM 344 CD1 TRP A 22 -8.395 -11.734 6.094 1.00 0.00 C ATOM 345 CD2 TRP A 22 -9.041 -10.245 4.537 1.00 0.00 C ATOM 346 NE1 TRP A 22 -9.674 -11.289 6.381 1.00 0.00 N ATOM 347 CE2 TRP A 22 -10.116 -10.370 5.450 1.00 0.00 C ATOM 348 CE3 TRP A 22 -9.192 -9.361 3.453 1.00 0.00 C ATOM 349 CZ2 TRP A 22 -11.298 -9.646 5.292 1.00 0.00 C ATOM 350 CZ3 TRP A 22 -10.381 -8.630 3.292 1.00 0.00 C ATOM 351 CH2 TRP A 22 -11.431 -8.773 4.210 1.00 0.00 C ATOM 0 H TRP A 22 -6.447 -8.996 3.155 1.00 0.00 H new ATOM 0 HA TRP A 22 -5.663 -10.107 5.826 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -6.723 -11.373 3.252 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -6.212 -12.298 4.651 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -7.835 -12.453 6.674 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.223 -11.602 7.182 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.389 -9.244 2.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -12.104 -9.760 6.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -10.487 -7.954 2.456 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -12.342 -8.208 4.080 1.00 0.00 H new ATOM 362 N LEU A 23 -3.467 -11.155 5.051 1.00 0.00 N ATOM 363 CA LEU A 23 -2.067 -11.519 4.653 1.00 0.00 C ATOM 364 C LEU A 23 -1.828 -12.973 5.059 1.00 0.00 C ATOM 365 O LEU A 23 -1.623 -13.276 6.217 1.00 0.00 O ATOM 366 CB LEU A 23 -1.086 -10.597 5.394 1.00 0.00 C ATOM 367 CG LEU A 23 0.374 -10.980 5.099 1.00 0.00 C ATOM 368 CD1 LEU A 23 0.655 -10.879 3.588 1.00 0.00 C ATOM 369 CD2 LEU A 23 1.299 -10.019 5.862 1.00 0.00 C ATOM 0 H LEU A 23 -3.726 -11.441 5.995 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.920 -11.404 3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.260 -9.563 5.096 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.269 -10.655 6.467 1.00 0.00 H new ATOM 0 HG LEU A 23 0.554 -12.006 5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.692 -11.153 3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.007 -11.556 3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.480 -9.857 3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.338 -10.279 5.662 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.111 -8.996 5.535 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.104 -10.099 6.931 1.00 0.00 H new ATOM 381 N GLY A 24 -1.875 -13.880 4.124 1.00 0.00 N ATOM 382 CA GLY A 24 -1.674 -15.312 4.483 1.00 0.00 C ATOM 383 C GLY A 24 -2.913 -15.797 5.236 1.00 0.00 C ATOM 384 O GLY A 24 -2.822 -16.515 6.209 1.00 0.00 O ATOM 0 H GLY A 24 -2.042 -13.695 3.135 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.517 -15.910 3.585 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.784 -15.427 5.102 1.00 0.00 H new ATOM 388 N GLU A 25 -4.069 -15.390 4.780 1.00 0.00 N ATOM 389 CA GLU A 25 -5.348 -15.794 5.438 1.00 0.00 C ATOM 390 C GLU A 25 -5.476 -15.090 6.796 1.00 0.00 C ATOM 391 O GLU A 25 -6.520 -15.111 7.416 1.00 0.00 O ATOM 392 CB GLU A 25 -5.384 -17.326 5.625 1.00 0.00 C ATOM 393 CG GLU A 25 -6.836 -17.811 5.716 1.00 0.00 C ATOM 394 CD GLU A 25 -6.856 -19.316 5.985 1.00 0.00 C ATOM 395 OE1 GLU A 25 -5.960 -19.789 6.666 1.00 0.00 O ATOM 396 OE2 GLU A 25 -7.766 -19.972 5.503 1.00 0.00 O ATOM 0 H GLU A 25 -4.183 -14.785 3.967 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.186 -15.500 4.806 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.881 -17.814 4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.842 -17.603 6.530 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.358 -17.282 6.513 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.363 -17.590 4.788 1.00 0.00 H new ATOM 403 N THR A 26 -4.424 -14.462 7.263 1.00 0.00 N ATOM 404 CA THR A 26 -4.488 -13.752 8.582 1.00 0.00 C ATOM 405 C THR A 26 -4.863 -12.286 8.359 1.00 0.00 C ATOM 406 O THR A 26 -4.452 -11.671 7.400 1.00 0.00 O ATOM 407 CB THR A 26 -3.125 -13.824 9.276 1.00 0.00 C ATOM 408 OG1 THR A 26 -2.178 -13.071 8.533 1.00 0.00 O ATOM 409 CG2 THR A 26 -2.669 -15.281 9.366 1.00 0.00 C ATOM 0 H THR A 26 -3.523 -14.410 6.788 1.00 0.00 H new ATOM 0 HA THR A 26 -5.241 -14.231 9.208 1.00 0.00 H new ATOM 0 HB THR A 26 -3.207 -13.413 10.282 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.040 -13.491 7.658 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.699 -15.329 9.860 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.397 -15.855 9.939 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.586 -15.699 8.363 1.00 0.00 H new ATOM 417 N ALA A 27 -5.649 -11.724 9.235 1.00 0.00 N ATOM 418 CA ALA A 27 -6.058 -10.300 9.066 1.00 0.00 C ATOM 419 C ALA A 27 -4.839 -9.382 9.201 1.00 0.00 C ATOM 420 O ALA A 27 -4.220 -9.304 10.244 1.00 0.00 O ATOM 421 CB ALA A 27 -7.086 -9.937 10.138 1.00 0.00 C ATOM 0 H ALA A 27 -6.026 -12.189 10.061 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.494 -10.170 8.076 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.386 -8.896 10.016 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.960 -10.581 10.037 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.646 -10.075 11.126 1.00 0.00 H new ATOM 427 N LEU A 28 -4.496 -8.679 8.155 1.00 0.00 N ATOM 428 CA LEU A 28 -3.327 -7.754 8.219 1.00 0.00 C ATOM 429 C LEU A 28 -3.731 -6.511 9.015 1.00 0.00 C ATOM 430 O LEU A 28 -4.763 -5.918 8.768 1.00 0.00 O ATOM 431 CB LEU A 28 -2.929 -7.355 6.792 1.00 0.00 C ATOM 432 CG LEU A 28 -1.601 -6.572 6.780 1.00 0.00 C ATOM 433 CD1 LEU A 28 -0.440 -7.443 7.312 1.00 0.00 C ATOM 434 CD2 LEU A 28 -1.306 -6.135 5.334 1.00 0.00 C ATOM 0 H LEU A 28 -4.977 -8.706 7.256 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.481 -8.240 8.705 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.832 -8.249 6.176 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.717 -6.746 6.349 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.691 -5.701 7.430 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.485 -6.867 7.293 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.655 -7.750 8.335 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.330 -8.327 6.683 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.369 -5.579 5.306 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.224 -7.016 4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.115 -5.500 4.973 1.00 0.00 H new ATOM 446 N ASP A 29 -2.935 -6.117 9.978 1.00 0.00 N ATOM 447 CA ASP A 29 -3.278 -4.914 10.805 1.00 0.00 C ATOM 448 C ASP A 29 -2.541 -3.685 10.273 1.00 0.00 C ATOM 449 O ASP A 29 -1.363 -3.507 10.509 1.00 0.00 O ATOM 450 CB ASP A 29 -2.854 -5.161 12.251 1.00 0.00 C ATOM 451 CG ASP A 29 -1.394 -5.614 12.289 1.00 0.00 C ATOM 452 OD1 ASP A 29 -1.075 -6.577 11.609 1.00 0.00 O ATOM 453 OD2 ASP A 29 -0.618 -4.991 12.993 1.00 0.00 O ATOM 0 H ASP A 29 -2.060 -6.577 10.229 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.353 -4.740 10.753 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.978 -4.250 12.837 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.492 -5.920 12.703 1.00 0.00 H new ATOM 458 N LEU A 30 -3.237 -2.834 9.558 1.00 0.00 N ATOM 459 CA LEU A 30 -2.607 -1.594 8.996 1.00 0.00 C ATOM 460 C LEU A 30 -3.499 -0.388 9.322 1.00 0.00 C ATOM 461 O LEU A 30 -4.710 -0.474 9.294 1.00 0.00 O ATOM 462 CB LEU A 30 -2.427 -1.753 7.473 1.00 0.00 C ATOM 463 CG LEU A 30 -3.772 -1.691 6.723 1.00 0.00 C ATOM 464 CD1 LEU A 30 -3.504 -1.894 5.226 1.00 0.00 C ATOM 465 CD2 LEU A 30 -4.727 -2.793 7.229 1.00 0.00 C ATOM 0 H LEU A 30 -4.226 -2.946 9.337 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.625 -1.434 9.441 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.768 -0.968 7.102 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.938 -2.704 7.263 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.240 -0.723 6.899 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.446 -1.853 4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.840 -1.108 4.865 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.035 -2.865 5.069 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.671 -2.733 6.688 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.275 -3.771 7.063 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.910 -2.655 8.295 1.00 0.00 H new ATOM 477 N THR A 31 -2.911 0.730 9.654 1.00 0.00 N ATOM 478 CA THR A 31 -3.734 1.925 10.004 1.00 0.00 C ATOM 479 C THR A 31 -4.535 2.383 8.771 1.00 0.00 C ATOM 480 O THR A 31 -4.099 2.194 7.656 1.00 0.00 O ATOM 481 CB THR A 31 -2.809 3.058 10.460 1.00 0.00 C ATOM 482 OG1 THR A 31 -1.987 3.463 9.375 1.00 0.00 O ATOM 483 CG2 THR A 31 -1.930 2.569 11.613 1.00 0.00 C ATOM 0 H THR A 31 -1.901 0.868 9.698 1.00 0.00 H new ATOM 0 HA THR A 31 -4.425 1.668 10.807 1.00 0.00 H new ATOM 0 HB THR A 31 -3.409 3.903 10.796 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.282 2.798 9.233 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.272 3.376 11.937 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.561 2.259 12.446 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.329 1.723 11.279 1.00 0.00 H new ATOM 491 N PRO A 32 -5.693 2.994 8.949 1.00 0.00 N ATOM 492 CA PRO A 32 -6.512 3.478 7.796 1.00 0.00 C ATOM 493 C PRO A 32 -5.658 4.200 6.744 1.00 0.00 C ATOM 494 O PRO A 32 -5.801 3.986 5.556 1.00 0.00 O ATOM 495 CB PRO A 32 -7.505 4.453 8.450 1.00 0.00 C ATOM 496 CG PRO A 32 -7.698 3.926 9.838 1.00 0.00 C ATOM 497 CD PRO A 32 -6.358 3.284 10.243 1.00 0.00 C ATOM 0 HA PRO A 32 -6.993 2.660 7.260 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.111 5.469 8.464 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.448 4.484 7.904 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.969 4.728 10.525 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.505 3.194 9.868 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.761 3.959 10.856 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.511 2.376 10.826 1.00 0.00 H new ATOM 505 N LYS A 33 -4.773 5.058 7.175 1.00 0.00 N ATOM 506 CA LYS A 33 -3.914 5.800 6.209 1.00 0.00 C ATOM 507 C LYS A 33 -3.211 4.800 5.283 1.00 0.00 C ATOM 508 O LYS A 33 -3.171 4.974 4.082 1.00 0.00 O ATOM 509 CB LYS A 33 -2.867 6.616 6.988 1.00 0.00 C ATOM 510 CG LYS A 33 -3.495 7.906 7.536 1.00 0.00 C ATOM 511 CD LYS A 33 -4.603 7.563 8.543 1.00 0.00 C ATOM 512 CE LYS A 33 -4.965 8.810 9.355 1.00 0.00 C ATOM 513 NZ LYS A 33 -5.398 9.896 8.432 1.00 0.00 N ATOM 0 H LYS A 33 -4.608 5.277 8.157 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.526 6.474 5.610 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.469 6.020 7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.028 6.860 6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.731 8.517 8.017 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.906 8.497 6.717 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.483 7.191 8.018 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.269 6.767 9.209 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.763 8.578 10.061 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.106 9.137 9.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.908 10.625 8.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.563 10.320 7.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.025 9.502 7.702 1.00 0.00 H new ATOM 527 N GLU A 34 -2.655 3.757 5.834 1.00 0.00 N ATOM 528 CA GLU A 34 -1.954 2.750 4.989 1.00 0.00 C ATOM 529 C GLU A 34 -2.902 2.230 3.911 1.00 0.00 C ATOM 530 O GLU A 34 -2.536 2.097 2.760 1.00 0.00 O ATOM 531 CB GLU A 34 -1.507 1.580 5.864 1.00 0.00 C ATOM 532 CG GLU A 34 -0.441 2.058 6.846 1.00 0.00 C ATOM 533 CD GLU A 34 -0.121 0.945 7.845 1.00 0.00 C ATOM 534 OE1 GLU A 34 0.406 -0.072 7.422 1.00 0.00 O ATOM 535 OE2 GLU A 34 -0.405 1.128 9.017 1.00 0.00 O ATOM 0 H GLU A 34 -2.656 3.558 6.834 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.088 3.216 4.519 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.359 1.171 6.407 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.110 0.778 5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.461 2.345 6.306 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.792 2.944 7.375 1.00 0.00 H new ATOM 542 N TYR A 35 -4.114 1.923 4.278 1.00 0.00 N ATOM 543 CA TYR A 35 -5.081 1.397 3.277 1.00 0.00 C ATOM 544 C TYR A 35 -5.218 2.386 2.113 1.00 0.00 C ATOM 545 O TYR A 35 -5.512 2.006 0.998 1.00 0.00 O ATOM 546 CB TYR A 35 -6.448 1.185 3.952 1.00 0.00 C ATOM 547 CG TYR A 35 -7.306 0.269 3.096 1.00 0.00 C ATOM 548 CD1 TYR A 35 -7.908 0.760 1.928 1.00 0.00 C ATOM 549 CD2 TYR A 35 -7.484 -1.071 3.462 1.00 0.00 C ATOM 550 CE1 TYR A 35 -8.681 -0.093 1.129 1.00 0.00 C ATOM 551 CE2 TYR A 35 -8.264 -1.918 2.663 1.00 0.00 C ATOM 552 CZ TYR A 35 -8.859 -1.430 1.499 1.00 0.00 C ATOM 553 OH TYR A 35 -9.610 -2.272 0.709 1.00 0.00 O ATOM 0 H TYR A 35 -4.476 2.014 5.227 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.719 0.446 2.888 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.312 0.751 4.942 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.948 2.143 4.090 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.776 1.794 1.645 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.020 -1.452 4.360 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.140 0.282 0.226 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.405 -2.950 2.949 1.00 0.00 H new ATOM 0 HH TYR A 35 -10.044 -2.947 1.271 1.00 0.00 H new ATOM 563 N ALA A 36 -5.008 3.653 2.357 1.00 0.00 N ATOM 564 CA ALA A 36 -5.136 4.655 1.256 1.00 0.00 C ATOM 565 C ALA A 36 -3.925 4.557 0.327 1.00 0.00 C ATOM 566 O ALA A 36 -4.061 4.382 -0.868 1.00 0.00 O ATOM 567 CB ALA A 36 -5.205 6.061 1.853 1.00 0.00 C ATOM 0 H ALA A 36 -4.754 4.037 3.267 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.045 4.453 0.689 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.298 6.793 1.051 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.069 6.134 2.513 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.297 6.260 2.422 1.00 0.00 H new ATOM 573 N LEU A 37 -2.740 4.652 0.863 1.00 0.00 N ATOM 574 CA LEU A 37 -1.529 4.547 0.002 1.00 0.00 C ATOM 575 C LEU A 37 -1.575 3.195 -0.707 1.00 0.00 C ATOM 576 O LEU A 37 -1.296 3.078 -1.883 1.00 0.00 O ATOM 577 CB LEU A 37 -0.274 4.658 0.895 1.00 0.00 C ATOM 578 CG LEU A 37 1.008 4.155 0.154 1.00 0.00 C ATOM 579 CD1 LEU A 37 2.214 5.039 0.510 1.00 0.00 C ATOM 580 CD2 LEU A 37 1.340 2.711 0.570 1.00 0.00 C ATOM 0 H LEU A 37 -2.558 4.797 1.856 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.496 5.344 -0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.135 5.695 1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.421 4.075 1.804 1.00 0.00 H new ATOM 0 HG LEU A 37 0.810 4.201 -0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.098 4.676 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.012 6.068 0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.388 5.001 1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.235 2.378 0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.515 2.673 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.505 2.058 0.315 1.00 0.00 H new ATOM 592 N LEU A 38 -1.934 2.176 0.017 1.00 0.00 N ATOM 593 CA LEU A 38 -2.014 0.815 -0.574 1.00 0.00 C ATOM 594 C LEU A 38 -3.071 0.801 -1.685 1.00 0.00 C ATOM 595 O LEU A 38 -2.872 0.229 -2.738 1.00 0.00 O ATOM 596 CB LEU A 38 -2.401 -0.164 0.540 1.00 0.00 C ATOM 597 CG LEU A 38 -2.688 -1.563 -0.023 1.00 0.00 C ATOM 598 CD1 LEU A 38 -1.515 -2.040 -0.895 1.00 0.00 C ATOM 599 CD2 LEU A 38 -2.884 -2.527 1.152 1.00 0.00 C ATOM 0 H LEU A 38 -2.179 2.229 1.006 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.056 0.526 -1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.596 -0.222 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.282 0.207 1.064 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.585 -1.532 -0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.733 -3.033 -1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.372 -1.346 -1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.607 -2.079 -0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.089 -3.528 0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.979 -2.548 1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.723 -2.192 1.762 1.00 0.00 H new ATOM 611 N SER A 39 -4.197 1.417 -1.452 1.00 0.00 N ATOM 612 CA SER A 39 -5.274 1.431 -2.484 1.00 0.00 C ATOM 613 C SER A 39 -4.724 1.895 -3.838 1.00 0.00 C ATOM 614 O SER A 39 -5.138 1.415 -4.875 1.00 0.00 O ATOM 615 CB SER A 39 -6.390 2.381 -2.043 1.00 0.00 C ATOM 616 OG SER A 39 -7.009 1.866 -0.871 1.00 0.00 O ATOM 0 H SER A 39 -4.419 1.913 -0.589 1.00 0.00 H new ATOM 0 HA SER A 39 -5.663 0.419 -2.591 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.983 3.373 -1.847 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.126 2.490 -2.839 1.00 0.00 H new ATOM 0 HG SER A 39 -6.573 2.243 -0.078 1.00 0.00 H new ATOM 622 N ARG A 40 -3.802 2.824 -3.852 1.00 0.00 N ATOM 623 CA ARG A 40 -3.252 3.301 -5.157 1.00 0.00 C ATOM 624 C ARG A 40 -2.260 2.276 -5.704 1.00 0.00 C ATOM 625 O ARG A 40 -2.218 2.014 -6.889 1.00 0.00 O ATOM 626 CB ARG A 40 -2.548 4.647 -4.951 1.00 0.00 C ATOM 627 CG ARG A 40 -2.219 5.289 -6.311 1.00 0.00 C ATOM 628 CD ARG A 40 -3.507 5.687 -7.066 1.00 0.00 C ATOM 629 NE ARG A 40 -3.230 6.880 -7.917 1.00 0.00 N ATOM 630 CZ ARG A 40 -3.152 8.066 -7.376 1.00 0.00 C ATOM 631 NH1 ARG A 40 -3.295 8.207 -6.087 1.00 0.00 N ATOM 632 NH2 ARG A 40 -2.928 9.112 -8.125 1.00 0.00 N ATOM 0 H ARG A 40 -3.409 3.270 -3.023 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.066 3.424 -5.871 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.186 5.314 -4.371 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.632 4.503 -4.378 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.596 6.170 -6.159 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.641 4.590 -6.916 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.851 4.857 -7.683 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.304 5.909 -6.357 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.101 6.769 -8.923 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.468 7.390 -5.501 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.234 9.134 -5.665 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.814 9.003 -9.133 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.867 10.038 -7.702 1.00 0.00 H new ATOM 646 N LEU A 41 -1.464 1.688 -4.856 1.00 0.00 N ATOM 647 CA LEU A 41 -0.485 0.679 -5.345 1.00 0.00 C ATOM 648 C LEU A 41 -1.242 -0.437 -6.074 1.00 0.00 C ATOM 649 O LEU A 41 -0.839 -0.881 -7.131 1.00 0.00 O ATOM 650 CB LEU A 41 0.294 0.093 -4.156 1.00 0.00 C ATOM 651 CG LEU A 41 1.395 1.070 -3.692 1.00 0.00 C ATOM 652 CD1 LEU A 41 1.944 0.603 -2.335 1.00 0.00 C ATOM 653 CD2 LEU A 41 2.551 1.131 -4.723 1.00 0.00 C ATOM 0 H LEU A 41 -1.449 1.861 -3.851 1.00 0.00 H new ATOM 0 HA LEU A 41 0.220 1.150 -6.030 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.389 -0.111 -3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.742 -0.859 -4.442 1.00 0.00 H new ATOM 0 HG LEU A 41 0.962 2.066 -3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.722 1.289 -2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.137 0.586 -1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.362 -0.398 -2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.314 1.826 -4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.989 0.139 -4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.164 1.470 -5.684 1.00 0.00 H new ATOM 665 N MET A 42 -2.333 -0.897 -5.522 1.00 0.00 N ATOM 666 CA MET A 42 -3.102 -1.982 -6.191 1.00 0.00 C ATOM 667 C MET A 42 -3.725 -1.450 -7.483 1.00 0.00 C ATOM 668 O MET A 42 -3.935 -2.182 -8.430 1.00 0.00 O ATOM 669 CB MET A 42 -4.212 -2.471 -5.254 1.00 0.00 C ATOM 670 CG MET A 42 -3.596 -3.253 -4.092 1.00 0.00 C ATOM 671 SD MET A 42 -2.974 -4.842 -4.694 1.00 0.00 S ATOM 672 CE MET A 42 -2.973 -5.702 -3.102 1.00 0.00 C ATOM 0 H MET A 42 -2.723 -0.568 -4.639 1.00 0.00 H new ATOM 0 HA MET A 42 -2.431 -2.808 -6.427 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.781 -1.622 -4.874 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.911 -3.104 -5.801 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.785 -2.679 -3.644 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.341 -3.414 -3.313 1.00 0.00 H new ATOM 0 HE1 MET A 42 -2.617 -6.723 -3.240 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.316 -5.180 -2.407 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.985 -5.722 -2.699 1.00 0.00 H new ATOM 682 N MET A 43 -4.021 -0.180 -7.532 1.00 0.00 N ATOM 683 CA MET A 43 -4.630 0.391 -8.760 1.00 0.00 C ATOM 684 C MET A 43 -3.657 0.214 -9.923 1.00 0.00 C ATOM 685 O MET A 43 -4.056 0.033 -11.057 1.00 0.00 O ATOM 686 CB MET A 43 -4.912 1.881 -8.548 1.00 0.00 C ATOM 687 CG MET A 43 -5.750 2.413 -9.712 1.00 0.00 C ATOM 688 SD MET A 43 -5.982 4.198 -9.522 1.00 0.00 S ATOM 689 CE MET A 43 -6.933 4.465 -11.040 1.00 0.00 C ATOM 0 H MET A 43 -3.866 0.484 -6.774 1.00 0.00 H new ATOM 0 HA MET A 43 -5.566 -0.122 -8.981 1.00 0.00 H new ATOM 0 HB2 MET A 43 -5.441 2.031 -7.607 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.975 2.433 -8.479 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.254 2.199 -10.659 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.717 1.910 -9.738 1.00 0.00 H new ATOM 0 HE1 MET A 43 -7.189 5.521 -11.128 1.00 0.00 H new ATOM 0 HE2 MET A 43 -6.336 4.163 -11.901 1.00 0.00 H new ATOM 0 HE3 MET A 43 -7.847 3.872 -11.006 1.00 0.00 H new ATOM 699 N LYS A 44 -2.379 0.276 -9.641 1.00 0.00 N ATOM 700 CA LYS A 44 -1.337 0.124 -10.709 1.00 0.00 C ATOM 701 C LYS A 44 -0.381 -1.017 -10.338 1.00 0.00 C ATOM 702 O LYS A 44 0.825 -0.874 -10.407 1.00 0.00 O ATOM 703 CB LYS A 44 -0.551 1.433 -10.811 1.00 0.00 C ATOM 704 CG LYS A 44 -1.422 2.502 -11.475 1.00 0.00 C ATOM 705 CD LYS A 44 -0.636 3.811 -11.584 1.00 0.00 C ATOM 706 CE LYS A 44 -1.444 4.825 -12.395 1.00 0.00 C ATOM 707 NZ LYS A 44 -0.791 6.162 -12.310 1.00 0.00 N ATOM 0 H LYS A 44 -2.007 0.428 -8.704 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.812 -0.105 -11.663 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.244 1.764 -9.819 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.359 1.279 -11.391 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.732 2.169 -12.465 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.330 2.659 -10.893 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.429 4.207 -10.590 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.327 3.631 -12.063 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.509 4.506 -13.435 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.464 4.882 -12.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.340 6.852 -12.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.751 6.466 -11.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.174 6.102 -12.693 1.00 0.00 H new ATOM 721 N ALA A 45 -0.905 -2.145 -9.940 1.00 0.00 N ATOM 722 CA ALA A 45 -0.024 -3.286 -9.563 1.00 0.00 C ATOM 723 C ALA A 45 0.674 -3.851 -10.806 1.00 0.00 C ATOM 724 O ALA A 45 0.070 -4.024 -11.847 1.00 0.00 O ATOM 725 CB ALA A 45 -0.867 -4.385 -8.910 1.00 0.00 C ATOM 0 H ALA A 45 -1.906 -2.325 -9.860 1.00 0.00 H new ATOM 0 HA ALA A 45 0.732 -2.933 -8.861 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.224 -5.221 -8.633 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.352 -3.990 -8.018 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.626 -4.728 -9.614 1.00 0.00 H new ATOM 731 N GLY A 46 1.945 -4.146 -10.694 1.00 0.00 N ATOM 732 CA GLY A 46 2.710 -4.715 -11.853 1.00 0.00 C ATOM 733 C GLY A 46 3.512 -3.609 -12.541 1.00 0.00 C ATOM 734 O GLY A 46 4.394 -3.878 -13.334 1.00 0.00 O ATOM 0 H GLY A 46 2.492 -4.017 -9.843 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.381 -5.501 -11.506 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.023 -5.174 -12.564 1.00 0.00 H new ATOM 738 N SER A 47 3.214 -2.366 -12.240 1.00 0.00 N ATOM 739 CA SER A 47 3.949 -1.214 -12.864 1.00 0.00 C ATOM 740 C SER A 47 4.620 -0.400 -11.748 1.00 0.00 C ATOM 741 O SER A 47 4.132 -0.371 -10.635 1.00 0.00 O ATOM 742 CB SER A 47 2.940 -0.325 -13.601 1.00 0.00 C ATOM 743 OG SER A 47 2.316 0.547 -12.668 1.00 0.00 O ATOM 0 H SER A 47 2.484 -2.096 -11.581 1.00 0.00 H new ATOM 0 HA SER A 47 4.701 -1.577 -13.564 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.444 0.253 -14.376 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.191 -0.940 -14.099 1.00 0.00 H new ATOM 0 HG SER A 47 1.971 0.026 -11.913 1.00 0.00 H new ATOM 749 N PRO A 48 5.724 0.261 -12.020 1.00 0.00 N ATOM 750 CA PRO A 48 6.426 1.073 -10.983 1.00 0.00 C ATOM 751 C PRO A 48 5.688 2.384 -10.702 1.00 0.00 C ATOM 752 O PRO A 48 5.499 3.200 -11.582 1.00 0.00 O ATOM 753 CB PRO A 48 7.802 1.335 -11.615 1.00 0.00 C ATOM 754 CG PRO A 48 7.530 1.359 -13.086 1.00 0.00 C ATOM 755 CD PRO A 48 6.427 0.317 -13.319 1.00 0.00 C ATOM 0 HA PRO A 48 6.486 0.568 -10.019 1.00 0.00 H new ATOM 0 HB2 PRO A 48 8.225 2.280 -11.272 1.00 0.00 H new ATOM 0 HB3 PRO A 48 8.516 0.553 -11.354 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.208 2.349 -13.409 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.427 1.114 -13.655 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.757 0.615 -14.125 1.00 0.00 H new ATOM 0 HD3 PRO A 48 6.843 -0.653 -13.592 1.00 0.00 H new ATOM 763 N VAL A 49 5.269 2.589 -9.476 1.00 0.00 N ATOM 764 CA VAL A 49 4.536 3.840 -9.116 1.00 0.00 C ATOM 765 C VAL A 49 5.489 4.824 -8.441 1.00 0.00 C ATOM 766 O VAL A 49 6.290 4.454 -7.608 1.00 0.00 O ATOM 767 CB VAL A 49 3.404 3.506 -8.146 1.00 0.00 C ATOM 768 CG1 VAL A 49 2.638 4.785 -7.799 1.00 0.00 C ATOM 769 CG2 VAL A 49 2.455 2.501 -8.800 1.00 0.00 C ATOM 0 H VAL A 49 5.406 1.936 -8.704 1.00 0.00 H new ATOM 0 HA VAL A 49 4.130 4.287 -10.024 1.00 0.00 H new ATOM 0 HB VAL A 49 3.818 3.073 -7.235 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.830 4.549 -7.107 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.316 5.501 -7.334 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.222 5.218 -8.709 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.647 2.261 -8.109 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.039 2.933 -9.710 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.002 1.591 -9.047 1.00 0.00 H new ATOM 779 N HIS A 50 5.392 6.083 -8.779 1.00 0.00 N ATOM 780 CA HIS A 50 6.277 7.096 -8.141 1.00 0.00 C ATOM 781 C HIS A 50 5.713 7.443 -6.760 1.00 0.00 C ATOM 782 O HIS A 50 4.563 7.808 -6.622 1.00 0.00 O ATOM 783 CB HIS A 50 6.320 8.354 -9.012 1.00 0.00 C ATOM 784 CG HIS A 50 7.390 9.294 -8.517 1.00 0.00 C ATOM 785 ND1 HIS A 50 7.599 10.539 -9.096 1.00 0.00 N ATOM 786 CD2 HIS A 50 8.318 9.194 -7.505 1.00 0.00 C ATOM 787 CE1 HIS A 50 8.612 11.130 -8.438 1.00 0.00 C ATOM 788 NE2 HIS A 50 9.083 10.353 -7.463 1.00 0.00 N ATOM 0 H HIS A 50 4.738 6.451 -9.469 1.00 0.00 H new ATOM 0 HA HIS A 50 7.287 6.698 -8.037 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.517 8.081 -10.049 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.351 8.852 -8.992 1.00 0.00 H new ATOM 0 HD2 HIS A 50 8.433 8.346 -6.846 1.00 0.00 H new ATOM 0 HE1 HIS A 50 8.996 12.112 -8.671 1.00 0.00 H new ATOM 0 HE2 HIS A 50 9.846 10.565 -6.820 1.00 0.00 H new ATOM 797 N ARG A 51 6.518 7.336 -5.738 1.00 0.00 N ATOM 798 CA ARG A 51 6.045 7.659 -4.362 1.00 0.00 C ATOM 799 C ARG A 51 5.389 9.034 -4.378 1.00 0.00 C ATOM 800 O ARG A 51 4.648 9.394 -3.487 1.00 0.00 O ATOM 801 CB ARG A 51 7.237 7.664 -3.399 1.00 0.00 C ATOM 802 CG ARG A 51 6.769 8.071 -1.999 1.00 0.00 C ATOM 803 CD ARG A 51 7.882 7.808 -0.979 1.00 0.00 C ATOM 804 NE ARG A 51 9.027 8.738 -1.232 1.00 0.00 N ATOM 805 CZ ARG A 51 10.001 8.406 -2.045 1.00 0.00 C ATOM 806 NH1 ARG A 51 9.999 7.247 -2.647 1.00 0.00 N ATOM 807 NH2 ARG A 51 10.985 9.239 -2.252 1.00 0.00 N ATOM 0 H ARG A 51 7.491 7.036 -5.798 1.00 0.00 H new ATOM 0 HA ARG A 51 5.324 6.912 -4.031 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.695 6.675 -3.367 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.000 8.357 -3.753 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.497 9.127 -1.990 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.875 7.509 -1.728 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.502 7.950 0.033 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.218 6.774 -1.051 1.00 0.00 H new ATOM 0 HE ARG A 51 9.050 9.644 -0.765 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.235 6.590 -2.487 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.761 6.998 -3.277 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.994 10.144 -1.782 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.744 8.984 -2.884 1.00 0.00 H new ATOM 821 N GLU A 52 5.642 9.793 -5.405 1.00 0.00 N ATOM 822 CA GLU A 52 5.018 11.133 -5.503 1.00 0.00 C ATOM 823 C GLU A 52 3.510 10.942 -5.640 1.00 0.00 C ATOM 824 O GLU A 52 2.730 11.676 -5.078 1.00 0.00 O ATOM 825 CB GLU A 52 5.563 11.863 -6.732 1.00 0.00 C ATOM 826 CG GLU A 52 5.106 13.320 -6.702 1.00 0.00 C ATOM 827 CD GLU A 52 5.530 14.017 -7.996 1.00 0.00 C ATOM 828 OE1 GLU A 52 6.669 14.449 -8.066 1.00 0.00 O ATOM 829 OE2 GLU A 52 4.709 14.109 -8.893 1.00 0.00 O ATOM 0 H GLU A 52 6.255 9.540 -6.180 1.00 0.00 H new ATOM 0 HA GLU A 52 5.244 11.725 -4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.652 11.812 -6.745 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.210 11.379 -7.642 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.023 13.370 -6.588 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.541 13.831 -5.843 1.00 0.00 H new ATOM 836 N ILE A 53 3.108 9.947 -6.388 1.00 0.00 N ATOM 837 CA ILE A 53 1.652 9.677 -6.579 1.00 0.00 C ATOM 838 C ILE A 53 1.072 9.068 -5.299 1.00 0.00 C ATOM 839 O ILE A 53 -0.057 9.328 -4.932 1.00 0.00 O ATOM 840 CB ILE A 53 1.461 8.700 -7.742 1.00 0.00 C ATOM 841 CG1 ILE A 53 2.109 9.275 -9.007 1.00 0.00 C ATOM 842 CG2 ILE A 53 -0.034 8.489 -7.992 1.00 0.00 C ATOM 843 CD1 ILE A 53 2.150 8.201 -10.094 1.00 0.00 C ATOM 0 H ILE A 53 3.731 9.305 -6.878 1.00 0.00 H new ATOM 0 HA ILE A 53 1.137 10.611 -6.802 1.00 0.00 H new ATOM 0 HB ILE A 53 1.928 7.747 -7.493 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.544 10.139 -9.357 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.118 9.622 -8.786 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.170 7.793 -8.820 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.499 8.080 -7.095 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.500 9.443 -8.239 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.611 8.611 -10.993 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.733 7.350 -9.743 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.135 7.876 -10.323 1.00 0.00 H new ATOM 855 N LEU A 54 1.839 8.267 -4.610 1.00 0.00 N ATOM 856 CA LEU A 54 1.336 7.651 -3.347 1.00 0.00 C ATOM 857 C LEU A 54 1.301 8.720 -2.254 1.00 0.00 C ATOM 858 O LEU A 54 0.550 8.632 -1.306 1.00 0.00 O ATOM 859 CB LEU A 54 2.273 6.520 -2.916 1.00 0.00 C ATOM 860 CG LEU A 54 2.488 5.536 -4.075 1.00 0.00 C ATOM 861 CD1 LEU A 54 3.489 4.458 -3.642 1.00 0.00 C ATOM 862 CD2 LEU A 54 1.150 4.875 -4.461 1.00 0.00 C ATOM 0 H LEU A 54 2.793 8.012 -4.867 1.00 0.00 H new ATOM 0 HA LEU A 54 0.336 7.249 -3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.230 6.933 -2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.851 5.996 -2.058 1.00 0.00 H new ATOM 0 HG LEU A 54 2.878 6.075 -4.939 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.645 3.756 -4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.437 4.927 -3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.097 3.924 -2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.312 4.179 -5.284 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.750 4.335 -3.603 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.441 5.643 -4.770 1.00 0.00 H new ATOM 874 N TYR A 55 2.113 9.732 -2.383 1.00 0.00 N ATOM 875 CA TYR A 55 2.133 10.812 -1.357 1.00 0.00 C ATOM 876 C TYR A 55 0.742 11.458 -1.284 1.00 0.00 C ATOM 877 O TYR A 55 0.273 11.831 -0.230 1.00 0.00 O ATOM 878 CB TYR A 55 3.201 11.858 -1.760 1.00 0.00 C ATOM 879 CG TYR A 55 3.861 12.462 -0.535 1.00 0.00 C ATOM 880 CD1 TYR A 55 4.976 11.835 0.036 1.00 0.00 C ATOM 881 CD2 TYR A 55 3.365 13.649 0.019 1.00 0.00 C ATOM 882 CE1 TYR A 55 5.596 12.396 1.158 1.00 0.00 C ATOM 883 CE2 TYR A 55 3.985 14.208 1.144 1.00 0.00 C ATOM 884 CZ TYR A 55 5.100 13.582 1.712 1.00 0.00 C ATOM 885 OH TYR A 55 5.713 14.135 2.816 1.00 0.00 O ATOM 0 H TYR A 55 2.765 9.858 -3.157 1.00 0.00 H new ATOM 0 HA TYR A 55 2.383 10.408 -0.376 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.956 11.388 -2.389 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.737 12.646 -2.353 1.00 0.00 H new ATOM 0 HD1 TYR A 55 5.357 10.919 -0.390 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.505 14.133 -0.421 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.457 11.914 1.597 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.602 15.122 1.573 1.00 0.00 H new ATOM 0 HH TYR A 55 5.409 15.060 2.930 1.00 0.00 H new ATOM 895 N ASN A 56 0.090 11.593 -2.407 1.00 0.00 N ATOM 896 CA ASN A 56 -1.262 12.221 -2.430 1.00 0.00 C ATOM 897 C ASN A 56 -2.220 11.428 -1.540 1.00 0.00 C ATOM 898 O ASN A 56 -3.174 11.959 -1.006 1.00 0.00 O ATOM 899 CB ASN A 56 -1.794 12.231 -3.868 1.00 0.00 C ATOM 900 CG ASN A 56 -0.690 12.705 -4.811 1.00 0.00 C ATOM 901 OD1 ASN A 56 -0.787 13.767 -5.396 1.00 0.00 O ATOM 902 ND2 ASN A 56 0.363 11.958 -4.986 1.00 0.00 N ATOM 0 H ASN A 56 0.439 11.292 -3.317 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.189 13.243 -2.057 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.127 11.233 -4.152 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.660 12.889 -3.943 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.107 12.264 -5.614 1.00 0.00 H new ATOM 0 HD22 ASN A 56 0.444 11.068 -4.495 1.00 0.00 H new ATOM 909 N ASP A 57 -1.978 10.159 -1.386 1.00 0.00 N ATOM 910 CA ASP A 57 -2.877 9.330 -0.541 1.00 0.00 C ATOM 911 C ASP A 57 -2.748 9.745 0.926 1.00 0.00 C ATOM 912 O ASP A 57 -3.724 10.049 1.585 1.00 0.00 O ATOM 913 CB ASP A 57 -2.501 7.856 -0.691 1.00 0.00 C ATOM 914 CG ASP A 57 -2.758 7.407 -2.130 1.00 0.00 C ATOM 915 OD1 ASP A 57 -2.133 7.956 -3.022 1.00 0.00 O ATOM 916 OD2 ASP A 57 -3.577 6.522 -2.316 1.00 0.00 O ATOM 0 H ASP A 57 -1.196 9.659 -1.809 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.908 9.479 -0.863 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.452 7.710 -0.435 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.085 7.249 0.000 1.00 0.00 H new ATOM 921 N ILE A 58 -1.556 9.746 1.446 1.00 0.00 N ATOM 922 CA ILE A 58 -1.360 10.126 2.876 1.00 0.00 C ATOM 923 C ILE A 58 -1.594 11.629 3.062 1.00 0.00 C ATOM 924 O ILE A 58 -1.988 12.076 4.121 1.00 0.00 O ATOM 925 CB ILE A 58 0.068 9.779 3.306 1.00 0.00 C ATOM 926 CG1 ILE A 58 0.408 8.339 2.886 1.00 0.00 C ATOM 927 CG2 ILE A 58 0.193 9.912 4.826 1.00 0.00 C ATOM 928 CD1 ILE A 58 -0.664 7.356 3.380 1.00 0.00 C ATOM 0 H ILE A 58 -0.703 9.500 0.943 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.074 9.576 3.488 1.00 0.00 H new ATOM 0 HB ILE A 58 0.763 10.466 2.822 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.487 8.282 1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.380 8.058 3.292 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.210 9.665 5.130 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.035 10.936 5.122 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.506 9.230 5.310 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.401 6.345 3.070 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.723 7.399 4.468 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.630 7.626 2.953 1.00 0.00 H new ATOM 940 N TYR A 59 -1.347 12.414 2.049 1.00 0.00 N ATOM 941 CA TYR A 59 -1.548 13.890 2.180 1.00 0.00 C ATOM 942 C TYR A 59 -2.942 14.168 2.765 1.00 0.00 C ATOM 943 O TYR A 59 -3.078 14.651 3.871 1.00 0.00 O ATOM 944 CB TYR A 59 -1.400 14.544 0.782 1.00 0.00 C ATOM 945 CG TYR A 59 -0.711 15.897 0.880 1.00 0.00 C ATOM 946 CD1 TYR A 59 -1.013 16.769 1.935 1.00 0.00 C ATOM 947 CD2 TYR A 59 0.229 16.275 -0.090 1.00 0.00 C ATOM 948 CE1 TYR A 59 -0.376 18.014 2.018 1.00 0.00 C ATOM 949 CE2 TYR A 59 0.865 17.520 -0.004 1.00 0.00 C ATOM 950 CZ TYR A 59 0.561 18.389 1.049 1.00 0.00 C ATOM 951 OH TYR A 59 1.187 19.616 1.133 1.00 0.00 O ATOM 0 H TYR A 59 -1.015 12.100 1.137 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.801 14.314 2.851 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.826 13.887 0.129 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.383 14.665 0.328 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.736 16.481 2.684 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.463 15.605 -0.904 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.609 18.685 2.831 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.590 17.809 -0.751 1.00 0.00 H new ATOM 0 HH TYR A 59 1.809 19.718 0.382 1.00 0.00 H new ATOM 961 N SER A 60 -3.970 13.865 2.026 1.00 0.00 N ATOM 962 CA SER A 60 -5.352 14.108 2.530 1.00 0.00 C ATOM 963 C SER A 60 -5.499 15.576 2.939 1.00 0.00 C ATOM 964 O SER A 60 -6.448 15.955 3.596 1.00 0.00 O ATOM 965 CB SER A 60 -5.625 13.206 3.736 1.00 0.00 C ATOM 966 OG SER A 60 -7.018 13.213 4.021 1.00 0.00 O ATOM 0 H SER A 60 -3.915 13.458 1.092 1.00 0.00 H new ATOM 0 HA SER A 60 -6.070 13.881 1.742 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.290 12.190 3.528 1.00 0.00 H new ATOM 0 HB3 SER A 60 -5.063 13.557 4.602 1.00 0.00 H new ATOM 0 HG SER A 60 -7.360 14.129 3.957 1.00 0.00 H new ATOM 972 N TRP A 61 -4.569 16.406 2.552 1.00 0.00 N ATOM 973 CA TRP A 61 -4.656 17.849 2.915 1.00 0.00 C ATOM 974 C TRP A 61 -4.847 17.989 4.428 1.00 0.00 C ATOM 975 O TRP A 61 -5.726 18.688 4.890 1.00 0.00 O ATOM 976 CB TRP A 61 -5.844 18.486 2.189 1.00 0.00 C ATOM 977 CG TRP A 61 -5.812 18.099 0.746 1.00 0.00 C ATOM 978 CD1 TRP A 61 -4.738 18.221 -0.068 1.00 0.00 C ATOM 979 CD2 TRP A 61 -6.879 17.530 -0.067 1.00 0.00 C ATOM 980 NE1 TRP A 61 -5.079 17.764 -1.328 1.00 0.00 N ATOM 981 CE2 TRP A 61 -6.388 17.327 -1.378 1.00 0.00 C ATOM 982 CE3 TRP A 61 -8.212 17.174 0.204 1.00 0.00 C ATOM 983 CZ2 TRP A 61 -7.190 16.791 -2.385 1.00 0.00 C ATOM 984 CZ3 TRP A 61 -9.024 16.633 -0.807 1.00 0.00 C ATOM 985 CH2 TRP A 61 -8.513 16.441 -2.099 1.00 0.00 C ATOM 0 H TRP A 61 -3.752 16.147 1.999 1.00 0.00 H new ATOM 0 HA TRP A 61 -3.735 18.352 2.620 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -6.779 18.159 2.643 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -5.804 19.571 2.287 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -3.773 18.611 0.219 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -4.441 17.751 -2.124 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -8.614 17.317 1.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -6.792 16.647 -3.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -10.047 16.364 -0.588 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -9.141 16.023 -2.872 1.00 0.00 H new ATOM 996 N ASP A 62 -4.028 17.329 5.205 1.00 0.00 N ATOM 997 CA ASP A 62 -4.162 17.423 6.690 1.00 0.00 C ATOM 998 C ASP A 62 -2.829 17.068 7.351 1.00 0.00 C ATOM 999 O ASP A 62 -2.473 17.607 8.381 1.00 0.00 O ATOM 1000 CB ASP A 62 -5.241 16.447 7.167 1.00 0.00 C ATOM 1001 CG ASP A 62 -5.453 16.615 8.672 1.00 0.00 C ATOM 1002 OD1 ASP A 62 -5.369 17.738 9.141 1.00 0.00 O ATOM 1003 OD2 ASP A 62 -5.697 15.618 9.331 1.00 0.00 O ATOM 0 H ASP A 62 -3.272 16.729 4.876 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.442 18.440 6.963 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.174 16.632 6.635 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.944 15.422 6.943 1.00 0.00 H new ATOM 1008 N ASN A 63 -2.088 16.167 6.769 1.00 0.00 N ATOM 1009 CA ASN A 63 -0.779 15.779 7.368 1.00 0.00 C ATOM 1010 C ASN A 63 0.123 17.010 7.468 1.00 0.00 C ATOM 1011 O ASN A 63 0.890 17.157 8.399 1.00 0.00 O ATOM 1012 CB ASN A 63 -0.106 14.722 6.489 1.00 0.00 C ATOM 1013 CG ASN A 63 -0.879 13.406 6.593 1.00 0.00 C ATOM 1014 OD1 ASN A 63 -2.016 13.320 6.172 1.00 0.00 O ATOM 1015 ND2 ASN A 63 -0.307 12.368 7.140 1.00 0.00 N ATOM 0 H ASN A 63 -2.331 15.682 5.905 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.945 15.369 8.364 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.078 15.059 5.453 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.927 14.575 6.804 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -0.814 11.486 7.214 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.647 12.439 7.494 1.00 0.00 H new ATOM 1022 N GLU A 64 0.037 17.899 6.517 1.00 0.00 N ATOM 1023 CA GLU A 64 0.887 19.123 6.557 1.00 0.00 C ATOM 1024 C GLU A 64 2.359 18.722 6.733 1.00 0.00 C ATOM 1025 O GLU A 64 2.911 18.839 7.809 1.00 0.00 O ATOM 1026 CB GLU A 64 0.457 20.003 7.733 1.00 0.00 C ATOM 1027 CG GLU A 64 1.158 21.359 7.640 1.00 0.00 C ATOM 1028 CD GLU A 64 0.633 22.283 8.740 1.00 0.00 C ATOM 1029 OE1 GLU A 64 -0.464 22.793 8.585 1.00 0.00 O ATOM 1030 OE2 GLU A 64 1.338 22.466 9.720 1.00 0.00 O ATOM 0 H GLU A 64 -0.586 17.831 5.712 1.00 0.00 H new ATOM 0 HA GLU A 64 0.770 19.675 5.625 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.624 20.139 7.722 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.708 19.516 8.676 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.236 21.231 7.742 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.981 21.805 6.661 1.00 0.00 H new ATOM 1037 N PRO A 65 2.989 18.252 5.684 1.00 0.00 N ATOM 1038 CA PRO A 65 4.420 17.825 5.729 1.00 0.00 C ATOM 1039 C PRO A 65 5.314 18.850 6.444 1.00 0.00 C ATOM 1040 O PRO A 65 5.630 19.893 5.908 1.00 0.00 O ATOM 1041 CB PRO A 65 4.796 17.699 4.244 1.00 0.00 C ATOM 1042 CG PRO A 65 3.513 17.324 3.571 1.00 0.00 C ATOM 1043 CD PRO A 65 2.411 18.070 4.337 1.00 0.00 C ATOM 0 HA PRO A 65 4.559 16.902 6.292 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.192 18.636 3.853 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.563 16.940 4.090 1.00 0.00 H new ATOM 0 HG2 PRO A 65 3.523 17.612 2.520 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.353 16.246 3.605 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.174 19.026 3.870 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.486 17.494 4.372 1.00 0.00 H new ATOM 1051 N ALA A 66 5.719 18.558 7.652 1.00 0.00 N ATOM 1052 CA ALA A 66 6.587 19.511 8.406 1.00 0.00 C ATOM 1053 C ALA A 66 8.041 19.353 7.952 1.00 0.00 C ATOM 1054 O ALA A 66 8.695 20.311 7.593 1.00 0.00 O ATOM 1055 CB ALA A 66 6.489 19.213 9.904 1.00 0.00 C ATOM 0 H ALA A 66 5.486 17.699 8.150 1.00 0.00 H new ATOM 0 HA ALA A 66 6.255 20.531 8.213 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.122 19.908 10.455 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.455 19.326 10.231 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.820 18.192 10.094 1.00 0.00 H new ATOM 1061 N THR A 67 8.551 18.150 7.964 1.00 0.00 N ATOM 1062 CA THR A 67 9.963 17.934 7.534 1.00 0.00 C ATOM 1063 C THR A 67 10.242 16.432 7.430 1.00 0.00 C ATOM 1064 O THR A 67 9.350 15.639 7.208 1.00 0.00 O ATOM 1065 CB THR A 67 10.912 18.557 8.562 1.00 0.00 C ATOM 1066 OG1 THR A 67 12.256 18.352 8.150 1.00 0.00 O ATOM 1067 CG2 THR A 67 10.689 17.905 9.928 1.00 0.00 C ATOM 0 H THR A 67 8.051 17.309 8.253 1.00 0.00 H new ATOM 0 HA THR A 67 10.121 18.402 6.562 1.00 0.00 H new ATOM 0 HB THR A 67 10.714 19.626 8.637 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.864 18.752 8.806 1.00 0.00 H new ATOM 0 HG21 THR A 67 11.365 18.350 10.658 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.658 18.065 10.244 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.885 16.835 9.857 1.00 0.00 H new ATOM 1075 N ASN A 68 11.477 16.036 7.588 1.00 0.00 N ATOM 1076 CA ASN A 68 11.812 14.586 7.497 1.00 0.00 C ATOM 1077 C ASN A 68 10.993 13.808 8.530 1.00 0.00 C ATOM 1078 O ASN A 68 11.345 13.740 9.690 1.00 0.00 O ATOM 1079 CB ASN A 68 13.304 14.390 7.777 1.00 0.00 C ATOM 1080 CG ASN A 68 14.123 15.261 6.822 1.00 0.00 C ATOM 1081 OD1 ASN A 68 14.843 16.140 7.250 1.00 0.00 O ATOM 1082 ND2 ASN A 68 14.042 15.052 5.536 1.00 0.00 N ATOM 0 H ASN A 68 12.267 16.653 7.776 1.00 0.00 H new ATOM 0 HA ASN A 68 11.578 14.220 6.497 1.00 0.00 H new ATOM 0 HB2 ASN A 68 13.529 14.655 8.810 1.00 0.00 H new ATOM 0 HB3 ASN A 68 13.574 13.341 7.651 1.00 0.00 H new ATOM 0 HD21 ASN A 68 14.584 15.627 4.891 1.00 0.00 H new ATOM 0 HD22 ASN A 68 13.437 14.314 5.176 1.00 0.00 H new ATOM 1089 N THR A 69 9.905 13.221 8.113 1.00 0.00 N ATOM 1090 CA THR A 69 9.060 12.446 9.063 1.00 0.00 C ATOM 1091 C THR A 69 8.052 11.615 8.271 1.00 0.00 C ATOM 1092 O THR A 69 7.727 10.501 8.634 1.00 0.00 O ATOM 1093 CB THR A 69 8.311 13.409 9.991 1.00 0.00 C ATOM 1094 OG1 THR A 69 9.245 14.167 10.744 1.00 0.00 O ATOM 1095 CG2 THR A 69 7.416 12.612 10.943 1.00 0.00 C ATOM 0 H THR A 69 9.564 13.245 7.152 1.00 0.00 H new ATOM 0 HA THR A 69 9.691 11.789 9.662 1.00 0.00 H new ATOM 0 HB THR A 69 7.696 14.081 9.393 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.122 13.731 10.712 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.884 13.298 11.602 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.696 12.032 10.366 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.030 11.937 11.540 1.00 0.00 H new ATOM 1103 N LEU A 70 7.549 12.150 7.193 1.00 0.00 N ATOM 1104 CA LEU A 70 6.562 11.397 6.380 1.00 0.00 C ATOM 1105 C LEU A 70 7.237 10.153 5.795 1.00 0.00 C ATOM 1106 O LEU A 70 6.724 9.058 5.902 1.00 0.00 O ATOM 1107 CB LEU A 70 6.047 12.306 5.254 1.00 0.00 C ATOM 1108 CG LEU A 70 5.032 13.345 5.791 1.00 0.00 C ATOM 1109 CD1 LEU A 70 3.660 12.697 6.050 1.00 0.00 C ATOM 1110 CD2 LEU A 70 5.541 13.992 7.091 1.00 0.00 C ATOM 0 H LEU A 70 7.782 13.079 6.842 1.00 0.00 H new ATOM 0 HA LEU A 70 5.721 11.084 6.999 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.886 12.822 4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.575 11.699 4.481 1.00 0.00 H new ATOM 0 HG LEU A 70 4.923 14.115 5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.967 13.450 6.426 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.273 12.280 5.120 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.767 11.901 6.787 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.810 14.718 7.447 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.686 13.222 7.848 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.489 14.496 6.900 1.00 0.00 H new ATOM 1122 N GLU A 71 8.386 10.300 5.187 1.00 0.00 N ATOM 1123 CA GLU A 71 9.075 9.108 4.619 1.00 0.00 C ATOM 1124 C GLU A 71 9.429 8.157 5.757 1.00 0.00 C ATOM 1125 O GLU A 71 9.389 6.953 5.610 1.00 0.00 O ATOM 1126 CB GLU A 71 10.354 9.548 3.902 1.00 0.00 C ATOM 1127 CG GLU A 71 10.988 8.344 3.202 1.00 0.00 C ATOM 1128 CD GLU A 71 12.172 8.812 2.355 1.00 0.00 C ATOM 1129 OE1 GLU A 71 13.264 8.897 2.893 1.00 0.00 O ATOM 1130 OE2 GLU A 71 11.968 9.077 1.181 1.00 0.00 O ATOM 0 H GLU A 71 8.872 11.188 5.061 1.00 0.00 H new ATOM 0 HA GLU A 71 8.421 8.606 3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.126 10.326 3.174 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.055 9.977 4.618 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.321 7.614 3.940 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.251 7.846 2.572 1.00 0.00 H new ATOM 1137 N VAL A 72 9.758 8.689 6.897 1.00 0.00 N ATOM 1138 CA VAL A 72 10.091 7.812 8.047 1.00 0.00 C ATOM 1139 C VAL A 72 8.818 7.114 8.498 1.00 0.00 C ATOM 1140 O VAL A 72 8.828 5.963 8.889 1.00 0.00 O ATOM 1141 CB VAL A 72 10.638 8.658 9.190 1.00 0.00 C ATOM 1142 CG1 VAL A 72 10.983 7.759 10.378 1.00 0.00 C ATOM 1143 CG2 VAL A 72 11.895 9.397 8.725 1.00 0.00 C ATOM 0 H VAL A 72 9.811 9.691 7.082 1.00 0.00 H new ATOM 0 HA VAL A 72 10.842 7.078 7.756 1.00 0.00 H new ATOM 0 HB VAL A 72 9.883 9.383 9.494 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.374 8.368 11.193 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.086 7.237 10.712 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.735 7.030 10.076 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.285 10.002 9.544 1.00 0.00 H new ATOM 0 HG22 VAL A 72 12.650 8.673 8.417 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.647 10.043 7.883 1.00 0.00 H new ATOM 1153 N HIS A 73 7.708 7.795 8.416 1.00 0.00 N ATOM 1154 CA HIS A 73 6.426 7.159 8.807 1.00 0.00 C ATOM 1155 C HIS A 73 6.239 5.935 7.920 1.00 0.00 C ATOM 1156 O HIS A 73 5.785 4.895 8.354 1.00 0.00 O ATOM 1157 CB HIS A 73 5.271 8.143 8.590 1.00 0.00 C ATOM 1158 CG HIS A 73 4.012 7.578 9.187 1.00 0.00 C ATOM 1159 ND1 HIS A 73 3.893 6.238 9.535 1.00 0.00 N ATOM 1160 CD2 HIS A 73 2.807 8.156 9.506 1.00 0.00 C ATOM 1161 CE1 HIS A 73 2.658 6.058 10.037 1.00 0.00 C ATOM 1162 NE2 HIS A 73 1.959 7.194 10.042 1.00 0.00 N ATOM 0 H HIS A 73 7.637 8.761 8.096 1.00 0.00 H new ATOM 0 HA HIS A 73 6.439 6.874 9.859 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.506 9.103 9.050 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.131 8.326 7.525 1.00 0.00 H new ATOM 0 HD1 HIS A 73 4.611 5.521 9.429 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.557 9.197 9.362 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.279 5.111 10.392 1.00 0.00 H new ATOM 1171 N ILE A 74 6.607 6.055 6.672 1.00 0.00 N ATOM 1172 CA ILE A 74 6.472 4.898 5.754 1.00 0.00 C ATOM 1173 C ILE A 74 7.388 3.792 6.251 1.00 0.00 C ATOM 1174 O ILE A 74 7.062 2.626 6.183 1.00 0.00 O ATOM 1175 CB ILE A 74 6.854 5.293 4.323 1.00 0.00 C ATOM 1176 CG1 ILE A 74 5.867 6.353 3.819 1.00 0.00 C ATOM 1177 CG2 ILE A 74 6.788 4.054 3.418 1.00 0.00 C ATOM 1178 CD1 ILE A 74 6.311 6.888 2.454 1.00 0.00 C ATOM 0 H ILE A 74 6.993 6.902 6.255 1.00 0.00 H new ATOM 0 HA ILE A 74 5.437 4.558 5.740 1.00 0.00 H new ATOM 0 HB ILE A 74 7.866 5.697 4.306 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.869 5.922 3.741 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.805 7.172 4.536 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.059 4.332 2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.482 3.298 3.785 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.775 3.651 3.426 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.601 7.639 2.109 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.300 7.338 2.544 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.349 6.068 1.737 1.00 0.00 H new ATOM 1190 N HIS A 75 8.534 4.144 6.761 1.00 0.00 N ATOM 1191 CA HIS A 75 9.454 3.092 7.267 1.00 0.00 C ATOM 1192 C HIS A 75 8.777 2.362 8.425 1.00 0.00 C ATOM 1193 O HIS A 75 8.946 1.172 8.611 1.00 0.00 O ATOM 1194 CB HIS A 75 10.756 3.735 7.751 1.00 0.00 C ATOM 1195 CG HIS A 75 11.747 2.660 8.106 1.00 0.00 C ATOM 1196 ND1 HIS A 75 12.453 2.672 9.300 1.00 0.00 N ATOM 1197 CD2 HIS A 75 12.159 1.535 7.436 1.00 0.00 C ATOM 1198 CE1 HIS A 75 13.247 1.584 9.312 1.00 0.00 C ATOM 1199 NE2 HIS A 75 13.104 0.861 8.201 1.00 0.00 N ATOM 0 H HIS A 75 8.870 5.103 6.849 1.00 0.00 H new ATOM 0 HA HIS A 75 9.684 2.386 6.469 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.166 4.380 6.974 1.00 0.00 H new ATOM 0 HB3 HIS A 75 10.562 4.366 8.619 1.00 0.00 H new ATOM 0 HD2 HIS A 75 11.804 1.222 6.465 1.00 0.00 H new ATOM 0 HE1 HIS A 75 13.916 1.329 10.121 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.587 -0.005 7.962 1.00 0.00 H new ATOM 1208 N ASN A 76 8.000 3.068 9.197 1.00 0.00 N ATOM 1209 CA ASN A 76 7.295 2.424 10.342 1.00 0.00 C ATOM 1210 C ASN A 76 6.092 1.639 9.818 1.00 0.00 C ATOM 1211 O ASN A 76 5.805 0.547 10.268 1.00 0.00 O ATOM 1212 CB ASN A 76 6.816 3.503 11.315 1.00 0.00 C ATOM 1213 CG ASN A 76 6.071 2.848 12.479 1.00 0.00 C ATOM 1214 OD1 ASN A 76 5.107 2.137 12.275 1.00 0.00 O ATOM 1215 ND2 ASN A 76 6.479 3.059 13.701 1.00 0.00 N ATOM 0 H ASN A 76 7.822 4.066 9.085 1.00 0.00 H new ATOM 0 HA ASN A 76 7.976 1.747 10.857 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.666 4.074 11.689 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.161 4.207 10.801 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.989 2.627 14.484 1.00 0.00 H new ATOM 0 HD22 ASN A 76 7.288 3.656 13.873 1.00 0.00 H new ATOM 1222 N LEU A 77 5.373 2.197 8.884 1.00 0.00 N ATOM 1223 CA LEU A 77 4.171 1.498 8.339 1.00 0.00 C ATOM 1224 C LEU A 77 4.622 0.315 7.475 1.00 0.00 C ATOM 1225 O LEU A 77 4.026 -0.742 7.483 1.00 0.00 O ATOM 1226 CB LEU A 77 3.316 2.531 7.546 1.00 0.00 C ATOM 1227 CG LEU A 77 3.523 2.451 6.003 1.00 0.00 C ATOM 1228 CD1 LEU A 77 2.809 1.199 5.408 1.00 0.00 C ATOM 1229 CD2 LEU A 77 2.986 3.744 5.318 1.00 0.00 C ATOM 0 H LEU A 77 5.565 3.110 8.472 1.00 0.00 H new ATOM 0 HA LEU A 77 3.550 1.092 9.138 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.262 2.370 7.773 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.565 3.536 7.887 1.00 0.00 H new ATOM 0 HG LEU A 77 4.592 2.362 5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.969 1.167 4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.218 0.297 5.863 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.740 1.257 5.615 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.137 3.675 4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.922 3.853 5.529 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.523 4.610 5.704 1.00 0.00 H new ATOM 1241 N ARG A 78 5.664 0.505 6.729 1.00 0.00 N ATOM 1242 CA ARG A 78 6.176 -0.578 5.840 1.00 0.00 C ATOM 1243 C ARG A 78 6.485 -1.841 6.651 1.00 0.00 C ATOM 1244 O ARG A 78 6.112 -2.935 6.277 1.00 0.00 O ATOM 1245 CB ARG A 78 7.452 -0.091 5.149 1.00 0.00 C ATOM 1246 CG ARG A 78 7.933 -1.148 4.152 1.00 0.00 C ATOM 1247 CD ARG A 78 9.086 -0.582 3.317 1.00 0.00 C ATOM 1248 NE ARG A 78 10.296 -0.434 4.175 1.00 0.00 N ATOM 1249 CZ ARG A 78 11.456 -0.180 3.632 1.00 0.00 C ATOM 1250 NH1 ARG A 78 11.558 -0.060 2.336 1.00 0.00 N ATOM 1251 NH2 ARG A 78 12.514 -0.047 4.385 1.00 0.00 N ATOM 0 H ARG A 78 6.195 1.375 6.692 1.00 0.00 H new ATOM 0 HA ARG A 78 5.414 -0.820 5.099 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.261 0.850 4.633 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.227 0.103 5.890 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.260 -2.041 4.684 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.112 -1.448 3.501 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.301 -1.244 2.478 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.805 0.384 2.897 1.00 0.00 H new ATOM 0 HE ARG A 78 10.218 -0.531 5.187 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.731 -0.165 1.748 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.464 0.138 1.912 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.435 -0.142 5.397 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.420 0.151 3.961 1.00 0.00 H new ATOM 1265 N GLU A 79 7.181 -1.705 7.745 1.00 0.00 N ATOM 1266 CA GLU A 79 7.530 -2.906 8.562 1.00 0.00 C ATOM 1267 C GLU A 79 6.264 -3.594 9.090 1.00 0.00 C ATOM 1268 O GLU A 79 6.312 -4.717 9.549 1.00 0.00 O ATOM 1269 CB GLU A 79 8.402 -2.476 9.743 1.00 0.00 C ATOM 1270 CG GLU A 79 9.749 -1.971 9.227 1.00 0.00 C ATOM 1271 CD GLU A 79 10.558 -1.391 10.389 1.00 0.00 C ATOM 1272 OE1 GLU A 79 9.988 -0.639 11.162 1.00 0.00 O ATOM 1273 OE2 GLU A 79 11.732 -1.709 10.486 1.00 0.00 O ATOM 0 H GLU A 79 7.524 -0.817 8.110 1.00 0.00 H new ATOM 0 HA GLU A 79 8.071 -3.611 7.931 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.902 -1.692 10.311 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.552 -3.315 10.422 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.300 -2.787 8.759 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.595 -1.210 8.462 1.00 0.00 H new ATOM 1280 N LYS A 80 5.134 -2.934 9.047 1.00 0.00 N ATOM 1281 CA LYS A 80 3.879 -3.558 9.566 1.00 0.00 C ATOM 1282 C LYS A 80 3.179 -4.365 8.464 1.00 0.00 C ATOM 1283 O LYS A 80 2.639 -5.425 8.711 1.00 0.00 O ATOM 1284 CB LYS A 80 2.934 -2.460 10.066 1.00 0.00 C ATOM 1285 CG LYS A 80 3.516 -1.823 11.331 1.00 0.00 C ATOM 1286 CD LYS A 80 2.638 -0.642 11.775 1.00 0.00 C ATOM 1287 CE LYS A 80 1.295 -1.143 12.333 1.00 0.00 C ATOM 1288 NZ LYS A 80 0.669 -0.064 13.150 1.00 0.00 N ATOM 0 H LYS A 80 5.026 -1.990 8.675 1.00 0.00 H new ATOM 0 HA LYS A 80 4.137 -4.231 10.384 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.798 -1.703 9.294 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.950 -2.880 10.277 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.574 -2.564 12.128 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.533 -1.480 11.141 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.159 -0.061 12.535 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.461 0.024 10.930 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.632 -1.428 11.516 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.450 -2.033 12.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.240 -0.399 13.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.301 0.187 13.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.508 0.773 12.555 1.00 0.00 H new ATOM 1302 N ILE A 81 3.165 -3.867 7.255 1.00 0.00 N ATOM 1303 CA ILE A 81 2.481 -4.600 6.147 1.00 0.00 C ATOM 1304 C ILE A 81 3.397 -5.696 5.596 1.00 0.00 C ATOM 1305 O ILE A 81 2.959 -6.579 4.886 1.00 0.00 O ATOM 1306 CB ILE A 81 2.134 -3.618 5.017 1.00 0.00 C ATOM 1307 CG1 ILE A 81 3.331 -2.704 4.742 1.00 0.00 C ATOM 1308 CG2 ILE A 81 0.931 -2.762 5.425 1.00 0.00 C ATOM 1309 CD1 ILE A 81 3.070 -1.881 3.478 1.00 0.00 C ATOM 0 H ILE A 81 3.598 -2.983 6.986 1.00 0.00 H new ATOM 0 HA ILE A 81 1.569 -5.054 6.535 1.00 0.00 H new ATOM 0 HB ILE A 81 1.891 -4.184 4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.498 -2.041 5.591 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.236 -3.300 4.620 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.689 -2.067 4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.074 -3.407 5.617 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.173 -2.201 6.328 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.923 -1.231 3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.925 -2.551 2.631 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.176 -1.274 3.618 1.00 0.00 H new ATOM 1321 N GLY A 82 4.662 -5.643 5.898 1.00 0.00 N ATOM 1322 CA GLY A 82 5.592 -6.678 5.370 1.00 0.00 C ATOM 1323 C GLY A 82 5.930 -6.345 3.917 1.00 0.00 C ATOM 1324 O GLY A 82 5.305 -6.824 2.991 1.00 0.00 O ATOM 0 H GLY A 82 5.092 -4.930 6.486 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.501 -6.710 5.971 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.133 -7.665 5.434 1.00 0.00 H new ATOM 1328 N LYS A 83 6.916 -5.516 3.720 1.00 0.00 N ATOM 1329 CA LYS A 83 7.327 -5.117 2.340 1.00 0.00 C ATOM 1330 C LYS A 83 7.390 -6.343 1.422 1.00 0.00 C ATOM 1331 O LYS A 83 7.423 -6.220 0.215 1.00 0.00 O ATOM 1332 CB LYS A 83 8.706 -4.452 2.395 1.00 0.00 C ATOM 1333 CG LYS A 83 9.670 -5.338 3.200 1.00 0.00 C ATOM 1334 CD LYS A 83 11.118 -4.825 3.068 1.00 0.00 C ATOM 1335 CE LYS A 83 11.342 -3.605 3.970 1.00 0.00 C ATOM 1336 NZ LYS A 83 11.005 -3.954 5.380 1.00 0.00 N ATOM 0 H LYS A 83 7.465 -5.090 4.467 1.00 0.00 H new ATOM 0 HA LYS A 83 6.591 -4.418 1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.090 -4.302 1.386 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.629 -3.467 2.856 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.375 -5.345 4.249 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.609 -6.367 2.845 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.816 -5.617 3.338 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.323 -4.560 2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.380 -3.278 3.904 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.723 -2.773 3.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.689 -3.505 6.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.048 -3.614 5.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.043 -4.986 5.501 1.00 0.00 H new ATOM 1350 N SER A 84 7.417 -7.522 1.982 1.00 0.00 N ATOM 1351 CA SER A 84 7.485 -8.748 1.138 1.00 0.00 C ATOM 1352 C SER A 84 6.408 -8.685 0.054 1.00 0.00 C ATOM 1353 O SER A 84 6.655 -8.982 -1.098 1.00 0.00 O ATOM 1354 CB SER A 84 7.256 -9.981 2.012 1.00 0.00 C ATOM 1355 OG SER A 84 6.030 -9.836 2.716 1.00 0.00 O ATOM 0 H SER A 84 7.395 -7.689 2.988 1.00 0.00 H new ATOM 0 HA SER A 84 8.467 -8.811 0.669 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.230 -10.879 1.395 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.080 -10.101 2.715 1.00 0.00 H new ATOM 0 HG SER A 84 5.879 -10.626 3.276 1.00 0.00 H new ATOM 1361 N ARG A 85 5.212 -8.303 0.412 1.00 0.00 N ATOM 1362 CA ARG A 85 4.121 -8.227 -0.605 1.00 0.00 C ATOM 1363 C ARG A 85 4.314 -6.990 -1.488 1.00 0.00 C ATOM 1364 O ARG A 85 3.457 -6.646 -2.278 1.00 0.00 O ATOM 1365 CB ARG A 85 2.766 -8.142 0.105 1.00 0.00 C ATOM 1366 CG ARG A 85 2.694 -9.199 1.210 1.00 0.00 C ATOM 1367 CD ARG A 85 2.982 -10.590 0.631 1.00 0.00 C ATOM 1368 NE ARG A 85 2.314 -10.728 -0.694 1.00 0.00 N ATOM 1369 CZ ARG A 85 2.635 -11.711 -1.491 1.00 0.00 C ATOM 1370 NH1 ARG A 85 3.545 -12.574 -1.128 1.00 0.00 N ATOM 1371 NH2 ARG A 85 2.047 -11.831 -2.649 1.00 0.00 N ATOM 0 H ARG A 85 4.943 -8.041 1.360 1.00 0.00 H new ATOM 0 HA ARG A 85 4.152 -9.120 -1.230 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.629 -7.148 0.530 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.959 -8.296 -0.611 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.415 -8.967 1.993 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.707 -9.186 1.672 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.057 -10.735 0.524 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.622 -11.360 1.313 1.00 0.00 H new ATOM 0 HE ARG A 85 1.604 -10.053 -0.979 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.005 -12.480 -0.222 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.796 -13.342 -1.750 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.336 -11.157 -2.932 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.298 -12.599 -3.271 1.00 0.00 H new ATOM 1385 N ILE A 86 5.433 -6.319 -1.361 1.00 0.00 N ATOM 1386 CA ILE A 86 5.701 -5.095 -2.189 1.00 0.00 C ATOM 1387 C ILE A 86 7.153 -5.133 -2.677 1.00 0.00 C ATOM 1388 O ILE A 86 8.074 -5.292 -1.899 1.00 0.00 O ATOM 1389 CB ILE A 86 5.479 -3.832 -1.336 1.00 0.00 C ATOM 1390 CG1 ILE A 86 3.985 -3.695 -1.007 1.00 0.00 C ATOM 1391 CG2 ILE A 86 5.946 -2.588 -2.111 1.00 0.00 C ATOM 1392 CD1 ILE A 86 3.787 -2.604 0.047 1.00 0.00 C ATOM 0 H ILE A 86 6.181 -6.567 -0.713 1.00 0.00 H new ATOM 0 HA ILE A 86 5.023 -5.074 -3.042 1.00 0.00 H new ATOM 0 HB ILE A 86 6.053 -3.917 -0.413 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.425 -3.448 -1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.595 -4.644 -0.639 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.786 -1.698 -1.502 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.007 -2.682 -2.345 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.377 -2.501 -3.037 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.726 -2.510 0.278 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.333 -2.869 0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.161 -1.655 -0.337 1.00 0.00 H new ATOM 1404 N ARG A 87 7.363 -4.982 -3.962 1.00 0.00 N ATOM 1405 CA ARG A 87 8.754 -4.997 -4.518 1.00 0.00 C ATOM 1406 C ARG A 87 9.234 -3.555 -4.703 1.00 0.00 C ATOM 1407 O ARG A 87 8.916 -2.905 -5.680 1.00 0.00 O ATOM 1408 CB ARG A 87 8.740 -5.715 -5.876 1.00 0.00 C ATOM 1409 CG ARG A 87 10.167 -5.824 -6.446 1.00 0.00 C ATOM 1410 CD ARG A 87 11.055 -6.699 -5.541 1.00 0.00 C ATOM 1411 NE ARG A 87 12.141 -7.306 -6.361 1.00 0.00 N ATOM 1412 CZ ARG A 87 11.866 -8.269 -7.199 1.00 0.00 C ATOM 1413 NH1 ARG A 87 10.638 -8.696 -7.323 1.00 0.00 N ATOM 1414 NH2 ARG A 87 12.818 -8.803 -7.914 1.00 0.00 N ATOM 0 H ARG A 87 6.626 -4.848 -4.655 1.00 0.00 H new ATOM 0 HA ARG A 87 9.426 -5.518 -3.836 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.311 -6.710 -5.763 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.104 -5.171 -6.575 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.131 -6.250 -7.449 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.603 -4.829 -6.538 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.482 -6.097 -4.738 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.458 -7.480 -5.071 1.00 0.00 H new ATOM 0 HE ARG A 87 13.099 -6.969 -6.268 1.00 0.00 H new ATOM 0 HH11 ARG A 87 9.894 -8.277 -6.765 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.423 -9.448 -7.978 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.777 -8.468 -7.818 1.00 0.00 H new ATOM 0 HH22 ARG A 87 12.603 -9.555 -8.569 1.00 0.00 H new ATOM 1428 N THR A 88 9.992 -3.045 -3.768 1.00 0.00 N ATOM 1429 CA THR A 88 10.485 -1.643 -3.892 1.00 0.00 C ATOM 1430 C THR A 88 11.473 -1.554 -5.060 1.00 0.00 C ATOM 1431 O THR A 88 12.372 -2.361 -5.187 1.00 0.00 O ATOM 1432 CB THR A 88 11.188 -1.226 -2.594 1.00 0.00 C ATOM 1433 OG1 THR A 88 12.531 -1.691 -2.617 1.00 0.00 O ATOM 1434 CG2 THR A 88 10.459 -1.832 -1.392 1.00 0.00 C ATOM 0 H THR A 88 10.290 -3.538 -2.926 1.00 0.00 H new ATOM 0 HA THR A 88 9.642 -0.977 -4.074 1.00 0.00 H new ATOM 0 HB THR A 88 11.177 -0.139 -2.510 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.668 -2.257 -3.405 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.962 -1.533 -0.473 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.429 -1.476 -1.374 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.466 -2.919 -1.472 1.00 0.00 H new ATOM 1442 N VAL A 89 11.295 -0.586 -5.925 1.00 0.00 N ATOM 1443 CA VAL A 89 12.203 -0.439 -7.111 1.00 0.00 C ATOM 1444 C VAL A 89 13.233 0.664 -6.856 1.00 0.00 C ATOM 1445 O VAL A 89 12.910 1.835 -6.810 1.00 0.00 O ATOM 1446 CB VAL A 89 11.365 -0.066 -8.334 1.00 0.00 C ATOM 1447 CG1 VAL A 89 12.268 0.018 -9.567 1.00 0.00 C ATOM 1448 CG2 VAL A 89 10.292 -1.133 -8.560 1.00 0.00 C ATOM 0 H VAL A 89 10.556 0.114 -5.862 1.00 0.00 H new ATOM 0 HA VAL A 89 12.725 -1.381 -7.281 1.00 0.00 H new ATOM 0 HB VAL A 89 10.889 0.900 -8.167 1.00 0.00 H new ATOM 0 HG11 VAL A 89 11.670 0.284 -10.439 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.033 0.777 -9.407 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.745 -0.948 -9.735 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.694 -0.868 -9.432 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.769 -2.099 -8.727 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.648 -1.193 -7.683 1.00 0.00 H new ATOM 1458 N ARG A 90 14.478 0.292 -6.702 1.00 0.00 N ATOM 1459 CA ARG A 90 15.550 1.304 -6.464 1.00 0.00 C ATOM 1460 C ARG A 90 15.120 2.284 -5.370 1.00 0.00 C ATOM 1461 O ARG A 90 15.642 3.377 -5.265 1.00 0.00 O ATOM 1462 CB ARG A 90 15.815 2.074 -7.760 1.00 0.00 C ATOM 1463 CG ARG A 90 16.368 1.117 -8.818 1.00 0.00 C ATOM 1464 CD ARG A 90 16.403 1.821 -10.175 1.00 0.00 C ATOM 1465 NE ARG A 90 17.255 3.040 -10.081 1.00 0.00 N ATOM 1466 CZ ARG A 90 18.552 2.926 -10.000 1.00 0.00 C ATOM 1467 NH1 ARG A 90 19.106 1.743 -10.000 1.00 0.00 N ATOM 1468 NH2 ARG A 90 19.297 3.994 -9.918 1.00 0.00 N ATOM 0 H ARG A 90 14.799 -0.676 -6.731 1.00 0.00 H new ATOM 0 HA ARG A 90 16.458 0.792 -6.144 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.894 2.534 -8.117 1.00 0.00 H new ATOM 0 HB3 ARG A 90 16.525 2.881 -7.578 1.00 0.00 H new ATOM 0 HG2 ARG A 90 17.370 0.791 -8.540 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.746 0.224 -8.876 1.00 0.00 H new ATOM 0 HD2 ARG A 90 16.797 1.147 -10.936 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.393 2.093 -10.482 1.00 0.00 H new ATOM 0 HE ARG A 90 16.824 3.964 -10.080 1.00 0.00 H new ATOM 0 HH11 ARG A 90 18.524 0.907 -10.063 1.00 0.00 H new ATOM 0 HH12 ARG A 90 20.120 1.655 -9.937 1.00 0.00 H new ATOM 0 HH21 ARG A 90 18.865 4.918 -9.917 1.00 0.00 H new ATOM 0 HH22 ARG A 90 20.311 3.905 -9.855 1.00 0.00 H new ATOM 1482 N GLY A 91 14.174 1.908 -4.556 1.00 0.00 N ATOM 1483 CA GLY A 91 13.717 2.827 -3.476 1.00 0.00 C ATOM 1484 C GLY A 91 13.091 4.075 -4.103 1.00 0.00 C ATOM 1485 O GLY A 91 12.601 4.948 -3.415 1.00 0.00 O ATOM 0 H GLY A 91 13.698 1.006 -4.591 1.00 0.00 H new ATOM 0 HA2 GLY A 91 12.991 2.324 -2.838 1.00 0.00 H new ATOM 0 HA3 GLY A 91 14.558 3.108 -2.842 1.00 0.00 H new ATOM 1489 N PHE A 92 13.095 4.160 -5.407 1.00 0.00 N ATOM 1490 CA PHE A 92 12.496 5.340 -6.083 1.00 0.00 C ATOM 1491 C PHE A 92 10.972 5.205 -6.032 1.00 0.00 C ATOM 1492 O PHE A 92 10.308 5.840 -5.238 1.00 0.00 O ATOM 1493 CB PHE A 92 12.983 5.390 -7.548 1.00 0.00 C ATOM 1494 CG PHE A 92 12.072 6.273 -8.383 1.00 0.00 C ATOM 1495 CD1 PHE A 92 12.203 7.666 -8.331 1.00 0.00 C ATOM 1496 CD2 PHE A 92 11.087 5.694 -9.197 1.00 0.00 C ATOM 1497 CE1 PHE A 92 11.354 8.479 -9.093 1.00 0.00 C ATOM 1498 CE2 PHE A 92 10.238 6.507 -9.956 1.00 0.00 C ATOM 1499 CZ PHE A 92 10.371 7.899 -9.904 1.00 0.00 C ATOM 0 H PHE A 92 13.490 3.458 -6.033 1.00 0.00 H new ATOM 0 HA PHE A 92 12.796 6.261 -5.584 1.00 0.00 H new ATOM 0 HB2 PHE A 92 14.003 5.772 -7.585 1.00 0.00 H new ATOM 0 HB3 PHE A 92 13.004 4.383 -7.965 1.00 0.00 H new ATOM 0 HD1 PHE A 92 12.959 8.114 -7.703 1.00 0.00 H new ATOM 0 HD2 PHE A 92 10.984 4.620 -9.238 1.00 0.00 H new ATOM 0 HE1 PHE A 92 11.458 9.553 -9.055 1.00 0.00 H new ATOM 0 HE2 PHE A 92 9.480 6.060 -10.582 1.00 0.00 H new ATOM 0 HZ PHE A 92 9.715 8.526 -10.490 1.00 0.00 H new ATOM 1509 N GLY A 93 10.420 4.373 -6.877 1.00 0.00 N ATOM 1510 CA GLY A 93 8.941 4.172 -6.897 1.00 0.00 C ATOM 1511 C GLY A 93 8.602 2.906 -6.117 1.00 0.00 C ATOM 1512 O GLY A 93 9.286 2.538 -5.182 1.00 0.00 O ATOM 0 H GLY A 93 10.936 3.819 -7.560 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.438 5.032 -6.456 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.586 4.088 -7.924 1.00 0.00 H new ATOM 1516 N TYR A 94 7.553 2.231 -6.495 1.00 0.00 N ATOM 1517 CA TYR A 94 7.163 0.979 -5.783 1.00 0.00 C ATOM 1518 C TYR A 94 6.425 0.066 -6.761 1.00 0.00 C ATOM 1519 O TYR A 94 5.918 0.506 -7.774 1.00 0.00 O ATOM 1520 CB TYR A 94 6.249 1.336 -4.599 1.00 0.00 C ATOM 1521 CG TYR A 94 7.088 1.743 -3.409 1.00 0.00 C ATOM 1522 CD1 TYR A 94 7.462 3.081 -3.237 1.00 0.00 C ATOM 1523 CD2 TYR A 94 7.493 0.778 -2.481 1.00 0.00 C ATOM 1524 CE1 TYR A 94 8.239 3.453 -2.136 1.00 0.00 C ATOM 1525 CE2 TYR A 94 8.269 1.149 -1.380 1.00 0.00 C ATOM 1526 CZ TYR A 94 8.643 2.486 -1.206 1.00 0.00 C ATOM 1527 OH TYR A 94 9.410 2.854 -0.118 1.00 0.00 O ATOM 0 H TYR A 94 6.945 2.493 -7.271 1.00 0.00 H new ATOM 0 HA TYR A 94 8.048 0.465 -5.407 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.578 2.149 -4.878 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.624 0.482 -4.340 1.00 0.00 H new ATOM 0 HD1 TYR A 94 7.150 3.826 -3.955 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.206 -0.254 -2.616 1.00 0.00 H new ATOM 0 HE1 TYR A 94 8.528 4.485 -2.002 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.580 0.404 -0.663 1.00 0.00 H new ATOM 0 HH TYR A 94 9.603 2.064 0.429 1.00 0.00 H new ATOM 1537 N MET A 95 6.361 -1.203 -6.468 1.00 0.00 N ATOM 1538 CA MET A 95 5.653 -2.139 -7.393 1.00 0.00 C ATOM 1539 C MET A 95 5.313 -3.440 -6.668 1.00 0.00 C ATOM 1540 O MET A 95 6.125 -4.009 -5.966 1.00 0.00 O ATOM 1541 CB MET A 95 6.553 -2.448 -8.590 1.00 0.00 C ATOM 1542 CG MET A 95 5.746 -3.184 -9.663 1.00 0.00 C ATOM 1543 SD MET A 95 6.832 -3.615 -11.047 1.00 0.00 S ATOM 1544 CE MET A 95 7.370 -5.231 -10.430 1.00 0.00 C ATOM 0 H MET A 95 6.764 -1.632 -5.635 1.00 0.00 H new ATOM 0 HA MET A 95 4.730 -1.670 -7.734 1.00 0.00 H new ATOM 0 HB2 MET A 95 6.962 -1.524 -8.998 1.00 0.00 H new ATOM 0 HB3 MET A 95 7.399 -3.059 -8.274 1.00 0.00 H new ATOM 0 HG2 MET A 95 5.300 -4.085 -9.243 1.00 0.00 H new ATOM 0 HG3 MET A 95 4.927 -2.555 -10.012 1.00 0.00 H new ATOM 0 HE1 MET A 95 8.059 -5.682 -11.144 1.00 0.00 H new ATOM 0 HE2 MET A 95 7.872 -5.105 -9.471 1.00 0.00 H new ATOM 0 HE3 MET A 95 6.503 -5.879 -10.304 1.00 0.00 H new ATOM 1554 N LEU A 96 4.109 -3.919 -6.844 1.00 0.00 N ATOM 1555 CA LEU A 96 3.686 -5.194 -6.181 1.00 0.00 C ATOM 1556 C LEU A 96 3.941 -6.363 -7.142 1.00 0.00 C ATOM 1557 O LEU A 96 3.560 -6.326 -8.295 1.00 0.00 O ATOM 1558 CB LEU A 96 2.185 -5.109 -5.842 1.00 0.00 C ATOM 1559 CG LEU A 96 1.983 -4.354 -4.521 1.00 0.00 C ATOM 1560 CD1 LEU A 96 2.677 -2.990 -4.586 1.00 0.00 C ATOM 1561 CD2 LEU A 96 0.485 -4.151 -4.280 1.00 0.00 C ATOM 0 H LEU A 96 3.393 -3.480 -7.423 1.00 0.00 H new ATOM 0 HA LEU A 96 4.254 -5.350 -5.264 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.651 -4.601 -6.645 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.765 -6.112 -5.764 1.00 0.00 H new ATOM 0 HG LEU A 96 2.414 -4.935 -3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.529 -2.461 -3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.744 -3.132 -4.758 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.253 -2.405 -5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.337 -3.615 -3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.060 -3.572 -5.100 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.009 -5.121 -4.226 1.00 0.00 H new ATOM 1573 N ALA A 97 4.582 -7.399 -6.673 1.00 0.00 N ATOM 1574 CA ALA A 97 4.861 -8.569 -7.556 1.00 0.00 C ATOM 1575 C ALA A 97 3.578 -9.376 -7.757 1.00 0.00 C ATOM 1576 O ALA A 97 2.953 -9.816 -6.812 1.00 0.00 O ATOM 1577 CB ALA A 97 5.924 -9.455 -6.903 1.00 0.00 C ATOM 0 H ALA A 97 4.925 -7.486 -5.716 1.00 0.00 H new ATOM 0 HA ALA A 97 5.222 -8.217 -8.522 1.00 0.00 H new ATOM 0 HB1 ALA A 97 6.130 -10.311 -7.546 1.00 0.00 H new ATOM 0 HB2 ALA A 97 6.839 -8.880 -6.760 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.562 -9.806 -5.937 1.00 0.00 H new ATOM 1583 N ASN A 98 3.179 -9.576 -8.986 1.00 0.00 N ATOM 1584 CA ASN A 98 1.934 -10.356 -9.254 1.00 0.00 C ATOM 1585 C ASN A 98 2.238 -11.853 -9.155 1.00 0.00 C ATOM 1586 O ASN A 98 2.883 -12.422 -10.013 1.00 0.00 O ATOM 1587 CB ASN A 98 1.428 -10.034 -10.662 1.00 0.00 C ATOM 1588 CG ASN A 98 1.265 -8.521 -10.813 1.00 0.00 C ATOM 1589 OD1 ASN A 98 1.160 -7.808 -9.834 1.00 0.00 O ATOM 1590 ND2 ASN A 98 1.238 -7.996 -12.008 1.00 0.00 N ATOM 0 H ASN A 98 3.662 -9.233 -9.816 1.00 0.00 H new ATOM 0 HA ASN A 98 1.173 -10.090 -8.521 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.129 -10.411 -11.407 1.00 0.00 H new ATOM 0 HB3 ASN A 98 0.475 -10.533 -10.840 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.129 -6.988 -12.120 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.326 -8.594 -12.830 1.00 0.00 H new ATOM 1597 N ASN A 99 1.776 -12.495 -8.115 1.00 0.00 N ATOM 1598 CA ASN A 99 2.034 -13.957 -7.960 1.00 0.00 C ATOM 1599 C ASN A 99 3.529 -14.240 -8.121 1.00 0.00 C ATOM 1600 O ASN A 99 4.022 -14.432 -9.215 1.00 0.00 O ATOM 1601 CB ASN A 99 1.251 -14.729 -9.025 1.00 0.00 C ATOM 1602 CG ASN A 99 -0.244 -14.452 -8.859 1.00 0.00 C ATOM 1603 OD1 ASN A 99 -0.671 -13.944 -7.841 1.00 0.00 O ATOM 1604 ND2 ASN A 99 -1.064 -14.767 -9.824 1.00 0.00 N ATOM 0 H ASN A 99 1.231 -12.070 -7.365 1.00 0.00 H new ATOM 0 HA ASN A 99 1.713 -14.275 -6.968 1.00 0.00 H new ATOM 0 HB2 ASN A 99 1.579 -14.430 -10.021 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.446 -15.797 -8.932 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -2.063 -14.587 -9.724 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -0.706 -15.193 -10.679 1.00 0.00 H new ATOM 1611 N ILE A 100 4.251 -14.280 -7.035 1.00 0.00 N ATOM 1612 CA ILE A 100 5.710 -14.565 -7.121 1.00 0.00 C ATOM 1613 C ILE A 100 5.889 -16.026 -7.547 1.00 0.00 C ATOM 1614 O ILE A 100 6.986 -16.529 -7.657 1.00 0.00 O ATOM 1615 CB ILE A 100 6.361 -14.327 -5.744 1.00 0.00 C ATOM 1616 CG1 ILE A 100 5.768 -13.056 -5.112 1.00 0.00 C ATOM 1617 CG2 ILE A 100 7.881 -14.155 -5.902 1.00 0.00 C ATOM 1618 CD1 ILE A 100 6.486 -12.742 -3.794 1.00 0.00 C ATOM 0 H ILE A 100 3.893 -14.128 -6.092 1.00 0.00 H new ATOM 0 HA ILE A 100 6.186 -13.908 -7.849 1.00 0.00 H new ATOM 0 HB ILE A 100 6.163 -15.186 -5.103 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.869 -12.217 -5.800 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.702 -13.193 -4.931 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.332 -13.987 -4.924 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.305 -15.055 -6.347 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.085 -13.300 -6.547 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.060 -11.841 -3.353 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.362 -13.577 -3.104 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.547 -12.585 -3.986 1.00 0.00 H new ATOM 1630 N ASP A 101 4.797 -16.699 -7.780 1.00 0.00 N ATOM 1631 CA ASP A 101 4.847 -18.132 -8.198 1.00 0.00 C ATOM 1632 C ASP A 101 5.248 -18.993 -6.995 1.00 0.00 C ATOM 1633 O ASP A 101 6.082 -19.871 -7.096 1.00 0.00 O ATOM 1634 CB ASP A 101 5.858 -18.316 -9.353 1.00 0.00 C ATOM 1635 CG ASP A 101 5.482 -19.544 -10.192 1.00 0.00 C ATOM 1636 OD1 ASP A 101 4.485 -19.476 -10.892 1.00 0.00 O ATOM 1637 OD2 ASP A 101 6.199 -20.529 -10.120 1.00 0.00 O ATOM 0 H ASP A 101 3.857 -16.312 -7.698 1.00 0.00 H new ATOM 0 HA ASP A 101 3.864 -18.443 -8.552 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.869 -17.426 -9.982 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.864 -18.435 -8.951 1.00 0.00 H new ATOM 1642 N THR A 102 4.656 -18.745 -5.857 1.00 0.00 N ATOM 1643 CA THR A 102 4.998 -19.545 -4.646 1.00 0.00 C ATOM 1644 C THR A 102 3.911 -19.357 -3.587 1.00 0.00 C ATOM 1645 O THR A 102 3.337 -18.294 -3.454 1.00 0.00 O ATOM 1646 CB THR A 102 6.343 -19.074 -4.086 1.00 0.00 C ATOM 1647 OG1 THR A 102 7.309 -19.062 -5.127 1.00 0.00 O ATOM 1648 CG2 THR A 102 6.797 -20.023 -2.976 1.00 0.00 C ATOM 0 H THR A 102 3.950 -18.023 -5.714 1.00 0.00 H new ATOM 0 HA THR A 102 5.065 -20.599 -4.914 1.00 0.00 H new ATOM 0 HB THR A 102 6.235 -18.069 -3.678 1.00 0.00 H new ATOM 0 HG1 THR A 102 7.138 -19.807 -5.740 1.00 0.00 H new ATOM 0 HG21 THR A 102 7.754 -19.686 -2.579 1.00 0.00 H new ATOM 0 HG22 THR A 102 6.055 -20.030 -2.178 1.00 0.00 H new ATOM 0 HG23 THR A 102 6.906 -21.030 -3.380 1.00 0.00 H new ATOM 1656 N GLU A 103 3.623 -20.381 -2.830 1.00 0.00 N ATOM 1657 CA GLU A 103 2.573 -20.261 -1.780 1.00 0.00 C ATOM 1658 C GLU A 103 2.664 -21.457 -0.830 1.00 0.00 C ATOM 1659 O GLU A 103 2.272 -21.310 0.315 1.00 0.00 O ATOM 1660 CB GLU A 103 1.193 -20.236 -2.439 1.00 0.00 C ATOM 1661 CG GLU A 103 0.127 -19.937 -1.383 1.00 0.00 C ATOM 1662 CD GLU A 103 -1.249 -19.879 -2.048 1.00 0.00 C ATOM 1663 OE1 GLU A 103 -1.544 -20.766 -2.833 1.00 0.00 O ATOM 1664 OE2 GLU A 103 -1.985 -18.949 -1.762 1.00 0.00 O ATOM 1665 OXT GLU A 103 3.125 -22.499 -1.264 1.00 0.00 O ATOM 0 H GLU A 103 4.070 -21.296 -2.894 1.00 0.00 H new ATOM 0 HA GLU A 103 2.723 -19.339 -1.219 1.00 0.00 H new ATOM 0 HB2 GLU A 103 1.166 -19.478 -3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 103 0.989 -21.195 -2.916 1.00 0.00 H new ATOM 0 HG2 GLU A 103 0.138 -20.707 -0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 103 0.344 -18.990 -0.890 1.00 0.00 H new TER 1672 GLU A 103