USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 698 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 GLN : amide:sc= -0.0256 X(o=-0.048,f=0.24) USER MOD Set 1.2: A 87 LYS NZ :NH3+ -150:sc= -0.0223 (180deg=-0.0278) USER MOD Set 2.1: A 38 TYR OH : rot -2:sc= -0.0552 USER MOD Set 2.2: A 55 HIS : no HE2:sc= -1.9 X(o=-2,f=-1.5) USER MOD Set 3.1: A 53 THR OG1 : rot 148:sc= 0.478 USER MOD Set 3.2: A 62 HIS : no HD1:sc= -0.662 X(o=-0.18,f=-0.038) USER MOD Single : A 4 ASN : amide:sc= -0.191 K(o=-0.19,f=-2.4!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -3.73 K(o=-3.7,f=-16!) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 13 THR OG1 : rot 180:sc=0.000563 USER MOD Single : A 21 THR OG1 : rot 75:sc= 0.527 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 150:sc= -0.853 USER MOD Single : A 35 ASN : amide:sc= -1.75 K(o=-1.7,f=-5.9!) USER MOD Single : A 36 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.019) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -1.66! USER MOD Single : A 48 HIS : no HD1:sc= -3.27 X(o=-3.3,f=-3.6!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -47:sc= -0.0606 USER MOD Single : A 57 ASN : amide:sc= 0.175 K(o=0.17,f=-6.7!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.724 K(o=-0.72,f=-3!) USER MOD Single : A 70 MET CE :methyl 165:sc= -12.8! (180deg=-14.8!) USER MOD Single : A 71 TYR OH : rot 180:sc= -0.137 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 60:sc= 1.35 USER MOD Single : A 88 HIS : no HE2:sc= -12.8! C(o=-13!,f=-8.6!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 0.624 -9.999 -4.680 1.00 0.00 N ATOM 38 CA LEU A 3 -0.453 -9.393 -3.904 1.00 0.00 C ATOM 39 C LEU A 3 -1.765 -9.400 -4.681 1.00 0.00 C ATOM 40 O LEU A 3 -1.774 -9.458 -5.911 1.00 0.00 O ATOM 41 CB LEU A 3 -0.085 -7.958 -3.517 1.00 0.00 C ATOM 42 CG LEU A 3 -0.018 -6.968 -4.680 1.00 0.00 C ATOM 43 CD1 LEU A 3 -0.408 -5.573 -4.214 1.00 0.00 C ATOM 44 CD2 LEU A 3 1.375 -6.956 -5.292 1.00 0.00 C ATOM 0 HA LEU A 3 -0.588 -9.986 -3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.815 -7.595 -2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.882 -7.971 -3.015 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.726 -7.287 -5.445 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.355 -4.881 -5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.425 -5.591 -3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.276 -5.246 -3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.403 -6.246 -6.118 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.102 -6.662 -4.535 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.619 -7.952 -5.662 1.00 0.00 H new ATOM 56 N ASN A 4 -2.872 -9.332 -3.949 1.00 0.00 N ATOM 57 CA ASN A 4 -4.199 -9.318 -4.553 1.00 0.00 C ATOM 58 C ASN A 4 -5.036 -8.187 -3.964 1.00 0.00 C ATOM 59 O ASN A 4 -4.839 -7.793 -2.815 1.00 0.00 O ATOM 60 CB ASN A 4 -4.898 -10.660 -4.335 1.00 0.00 C ATOM 61 CG ASN A 4 -4.591 -11.657 -5.435 1.00 0.00 C ATOM 62 OD1 ASN A 4 -4.122 -11.286 -6.512 1.00 0.00 O ATOM 63 ND2 ASN A 4 -4.855 -12.931 -5.171 1.00 0.00 N ATOM 0 H ASN A 4 -2.876 -9.285 -2.930 1.00 0.00 H new ATOM 0 HA ASN A 4 -4.090 -9.152 -5.625 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.590 -11.075 -3.376 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.975 -10.501 -4.282 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -4.670 -13.647 -5.874 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.243 -13.194 -4.265 1.00 0.00 H new ATOM 70 N ILE A 5 -5.967 -7.663 -4.756 1.00 0.00 N ATOM 71 CA ILE A 5 -6.821 -6.571 -4.303 1.00 0.00 C ATOM 72 C ILE A 5 -8.260 -7.031 -4.095 1.00 0.00 C ATOM 73 O ILE A 5 -8.773 -7.865 -4.842 1.00 0.00 O ATOM 74 CB ILE A 5 -6.819 -5.401 -5.303 1.00 0.00 C ATOM 75 CG1 ILE A 5 -5.389 -5.030 -5.694 1.00 0.00 C ATOM 76 CG2 ILE A 5 -7.541 -4.198 -4.712 1.00 0.00 C ATOM 77 CD1 ILE A 5 -5.312 -3.901 -6.699 1.00 0.00 C ATOM 0 H ILE A 5 -6.148 -7.975 -5.710 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.409 -6.236 -3.351 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.348 -5.715 -6.203 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.838 -4.746 -4.798 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.894 -5.909 -6.108 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -7.531 -3.379 -5.431 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.572 -4.468 -4.484 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.037 -3.884 -3.798 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.268 -3.691 -6.931 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.835 -4.189 -7.611 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.778 -3.009 -6.280 1.00 0.00 H new ATOM 89 N THR A 6 -8.910 -6.466 -3.083 1.00 0.00 N ATOM 90 CA THR A 6 -10.296 -6.793 -2.776 1.00 0.00 C ATOM 91 C THR A 6 -11.045 -5.531 -2.361 1.00 0.00 C ATOM 92 O THR A 6 -10.684 -4.881 -1.381 1.00 0.00 O ATOM 93 CB THR A 6 -10.366 -7.837 -1.661 1.00 0.00 C ATOM 94 OG1 THR A 6 -9.441 -8.883 -1.895 1.00 0.00 O ATOM 95 CG2 THR A 6 -11.737 -8.461 -1.511 1.00 0.00 C ATOM 0 H THR A 6 -8.495 -5.775 -2.458 1.00 0.00 H new ATOM 0 HA THR A 6 -10.764 -7.210 -3.668 1.00 0.00 H new ATOM 0 HB THR A 6 -10.128 -7.297 -0.744 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.500 -9.540 -1.170 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.717 -9.192 -0.703 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.467 -7.685 -1.280 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.015 -8.956 -2.442 1.00 0.00 H new ATOM 103 N GLY A 7 -12.074 -5.174 -3.121 1.00 0.00 N ATOM 104 CA GLY A 7 -12.829 -3.973 -2.817 1.00 0.00 C ATOM 105 C GLY A 7 -14.216 -4.254 -2.272 1.00 0.00 C ATOM 106 O GLY A 7 -14.831 -5.270 -2.597 1.00 0.00 O ATOM 0 H GLY A 7 -12.398 -5.692 -3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.275 -3.379 -2.090 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.917 -3.370 -3.721 1.00 0.00 H new ATOM 110 N ASN A 8 -14.710 -3.331 -1.454 1.00 0.00 N ATOM 111 CA ASN A 8 -16.039 -3.449 -0.867 1.00 0.00 C ATOM 112 C ASN A 8 -16.863 -2.206 -1.180 1.00 0.00 C ATOM 113 O ASN A 8 -16.596 -1.126 -0.651 1.00 0.00 O ATOM 114 CB ASN A 8 -15.950 -3.657 0.648 1.00 0.00 C ATOM 115 CG ASN A 8 -14.923 -2.753 1.305 1.00 0.00 C ATOM 116 OD1 ASN A 8 -14.300 -1.922 0.647 1.00 0.00 O ATOM 117 ND2 ASN A 8 -14.742 -2.916 2.610 1.00 0.00 N ATOM 0 H ASN A 8 -14.206 -2.487 -1.181 1.00 0.00 H new ATOM 0 HA ASN A 8 -16.530 -4.319 -1.303 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -16.928 -3.473 1.094 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -15.697 -4.697 0.853 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.063 -2.339 3.107 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.282 -3.618 3.116 1.00 0.00 H new ATOM 124 N ASN A 9 -17.857 -2.358 -2.048 1.00 0.00 N ATOM 125 CA ASN A 9 -18.711 -1.239 -2.436 1.00 0.00 C ATOM 126 C ASN A 9 -17.924 -0.227 -3.266 1.00 0.00 C ATOM 127 O ASN A 9 -18.143 0.980 -3.163 1.00 0.00 O ATOM 128 CB ASN A 9 -19.299 -0.556 -1.199 1.00 0.00 C ATOM 129 CG ASN A 9 -20.601 0.161 -1.497 1.00 0.00 C ATOM 130 OD1 ASN A 9 -20.613 1.356 -1.790 1.00 0.00 O ATOM 131 ND2 ASN A 9 -21.708 -0.569 -1.423 1.00 0.00 N ATOM 0 H ASN A 9 -18.092 -3.244 -2.496 1.00 0.00 H new ATOM 0 HA ASN A 9 -19.528 -1.630 -3.042 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -19.468 -1.301 -0.422 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -18.577 0.158 -0.804 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -22.614 -0.142 -1.613 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -21.652 -1.557 -1.176 1.00 0.00 H new ATOM 138 N VAL A 10 -17.018 -0.732 -4.098 1.00 0.00 N ATOM 139 CA VAL A 10 -16.208 0.119 -4.959 1.00 0.00 C ATOM 140 C VAL A 10 -15.775 -0.629 -6.217 1.00 0.00 C ATOM 141 O VAL A 10 -15.425 -1.808 -6.156 1.00 0.00 O ATOM 142 CB VAL A 10 -14.964 0.657 -4.226 1.00 0.00 C ATOM 143 CG1 VAL A 10 -14.054 -0.483 -3.810 1.00 0.00 C ATOM 144 CG2 VAL A 10 -14.220 1.656 -5.098 1.00 0.00 C ATOM 0 H VAL A 10 -16.827 -1.729 -4.193 1.00 0.00 H new ATOM 0 HA VAL A 10 -16.833 0.966 -5.242 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.292 1.173 -3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.181 -0.082 -3.294 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -14.594 -1.154 -3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.732 -1.033 -4.694 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.345 2.025 -4.563 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.903 1.169 -6.020 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -14.878 2.492 -5.337 1.00 0.00 H new ATOM 154 N GLU A 11 -15.803 0.058 -7.354 1.00 0.00 N ATOM 155 CA GLU A 11 -15.416 -0.551 -8.623 1.00 0.00 C ATOM 156 C GLU A 11 -13.927 -0.354 -8.899 1.00 0.00 C ATOM 157 O GLU A 11 -13.440 0.775 -8.955 1.00 0.00 O ATOM 158 CB GLU A 11 -16.243 0.040 -9.766 1.00 0.00 C ATOM 159 CG GLU A 11 -17.141 -0.977 -10.455 1.00 0.00 C ATOM 160 CD GLU A 11 -18.421 -1.238 -9.687 1.00 0.00 C ATOM 161 OE1 GLU A 11 -18.342 -1.798 -8.574 1.00 0.00 O ATOM 162 OE2 GLU A 11 -19.503 -0.883 -10.199 1.00 0.00 O ATOM 0 H GLU A 11 -16.089 1.035 -7.424 1.00 0.00 H new ATOM 0 HA GLU A 11 -15.610 -1.621 -8.556 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -16.858 0.851 -9.377 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.569 0.476 -10.503 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -17.388 -0.620 -11.455 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -16.597 -1.914 -10.576 1.00 0.00 H new ATOM 169 N ILE A 12 -13.212 -1.461 -9.078 1.00 0.00 N ATOM 170 CA ILE A 12 -11.781 -1.410 -9.358 1.00 0.00 C ATOM 171 C ILE A 12 -11.523 -0.960 -10.794 1.00 0.00 C ATOM 172 O ILE A 12 -11.921 -1.633 -11.746 1.00 0.00 O ATOM 173 CB ILE A 12 -11.113 -2.784 -9.128 1.00 0.00 C ATOM 174 CG1 ILE A 12 -11.258 -3.208 -7.663 1.00 0.00 C ATOM 175 CG2 ILE A 12 -9.643 -2.745 -9.532 1.00 0.00 C ATOM 176 CD1 ILE A 12 -10.342 -2.461 -6.715 1.00 0.00 C ATOM 0 H ILE A 12 -13.600 -2.403 -9.034 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.345 -0.687 -8.669 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.617 -3.520 -9.754 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.291 -3.055 -7.351 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -11.056 -4.276 -7.582 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.193 -3.723 -9.362 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.563 -2.488 -10.588 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.121 -1.997 -8.935 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.503 -2.817 -5.697 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.304 -2.634 -7.000 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -10.559 -1.394 -6.765 1.00 0.00 H new ATOM 188 N THR A 13 -10.854 0.178 -10.941 1.00 0.00 N ATOM 189 CA THR A 13 -10.542 0.714 -12.260 1.00 0.00 C ATOM 190 C THR A 13 -9.045 0.619 -12.542 1.00 0.00 C ATOM 191 O THR A 13 -8.223 0.895 -11.668 1.00 0.00 O ATOM 192 CB THR A 13 -11.003 2.169 -12.363 1.00 0.00 C ATOM 193 OG1 THR A 13 -10.771 2.858 -11.148 1.00 0.00 O ATOM 194 CG2 THR A 13 -12.473 2.307 -12.695 1.00 0.00 C ATOM 0 H THR A 13 -10.518 0.746 -10.164 1.00 0.00 H new ATOM 0 HA THR A 13 -11.072 0.120 -13.004 1.00 0.00 H new ATOM 0 HB THR A 13 -10.420 2.599 -13.177 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.071 3.787 -11.236 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.735 3.363 -12.753 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.676 1.829 -13.653 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.068 1.828 -11.918 1.00 0.00 H new ATOM 202 N GLU A 14 -8.702 0.209 -13.765 1.00 0.00 N ATOM 203 CA GLU A 14 -7.305 0.054 -14.181 1.00 0.00 C ATOM 204 C GLU A 14 -6.393 1.104 -13.545 1.00 0.00 C ATOM 205 O GLU A 14 -5.304 0.782 -13.068 1.00 0.00 O ATOM 206 CB GLU A 14 -7.201 0.133 -15.706 1.00 0.00 C ATOM 207 CG GLU A 14 -6.331 -0.954 -16.313 1.00 0.00 C ATOM 208 CD GLU A 14 -6.425 -0.999 -17.826 1.00 0.00 C ATOM 209 OE1 GLU A 14 -5.973 -0.033 -18.476 1.00 0.00 O ATOM 210 OE2 GLU A 14 -6.949 -1.999 -18.360 1.00 0.00 O ATOM 0 H GLU A 14 -9.379 -0.024 -14.491 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.970 -0.925 -13.837 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.201 0.067 -16.134 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.798 1.107 -15.984 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.294 -0.789 -16.022 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.626 -1.921 -15.905 1.00 0.00 H new ATOM 217 N ALA A 15 -6.838 2.356 -13.539 1.00 0.00 N ATOM 218 CA ALA A 15 -6.052 3.440 -12.958 1.00 0.00 C ATOM 219 C ALA A 15 -5.922 3.272 -11.448 1.00 0.00 C ATOM 220 O ALA A 15 -4.831 3.379 -10.892 1.00 0.00 O ATOM 221 CB ALA A 15 -6.678 4.784 -13.292 1.00 0.00 C ATOM 0 H ALA A 15 -7.735 2.645 -13.928 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.051 3.404 -13.389 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.081 5.583 -12.852 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.712 4.910 -14.374 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.690 4.824 -12.890 1.00 0.00 H new ATOM 227 N LEU A 16 -7.046 3.004 -10.789 1.00 0.00 N ATOM 228 CA LEU A 16 -7.060 2.816 -9.342 1.00 0.00 C ATOM 229 C LEU A 16 -6.087 1.715 -8.931 1.00 0.00 C ATOM 230 O LEU A 16 -5.071 1.979 -8.289 1.00 0.00 O ATOM 231 CB LEU A 16 -8.472 2.467 -8.869 1.00 0.00 C ATOM 232 CG LEU A 16 -8.597 2.162 -7.375 1.00 0.00 C ATOM 233 CD1 LEU A 16 -9.186 3.352 -6.635 1.00 0.00 C ATOM 234 CD2 LEU A 16 -9.448 0.920 -7.153 1.00 0.00 C ATOM 0 H LEU A 16 -7.959 2.912 -11.234 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.747 3.749 -8.873 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.136 3.297 -9.112 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.824 1.602 -9.432 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.600 1.971 -6.979 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.267 3.117 -5.574 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.538 4.219 -6.766 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.175 3.575 -7.034 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.526 0.718 -6.085 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.444 1.083 -7.565 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.985 0.068 -7.650 1.00 0.00 H new ATOM 246 N ARG A 17 -6.408 0.481 -9.312 1.00 0.00 N ATOM 247 CA ARG A 17 -5.561 -0.665 -8.989 1.00 0.00 C ATOM 248 C ARG A 17 -4.097 -0.350 -9.282 1.00 0.00 C ATOM 249 O ARG A 17 -3.203 -0.727 -8.522 1.00 0.00 O ATOM 250 CB ARG A 17 -6.005 -1.901 -9.776 1.00 0.00 C ATOM 251 CG ARG A 17 -5.736 -1.807 -11.269 1.00 0.00 C ATOM 252 CD ARG A 17 -4.308 -2.212 -11.609 1.00 0.00 C ATOM 253 NE ARG A 17 -4.263 -3.352 -12.522 1.00 0.00 N ATOM 254 CZ ARG A 17 -4.271 -4.624 -12.129 1.00 0.00 C ATOM 255 NH1 ARG A 17 -4.330 -4.929 -10.838 1.00 0.00 N ATOM 256 NH2 ARG A 17 -4.222 -5.595 -13.031 1.00 0.00 N ATOM 0 H ARG A 17 -7.247 0.249 -9.844 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.664 -0.876 -7.925 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.492 -2.777 -9.378 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.072 -2.057 -9.618 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.434 -2.449 -11.806 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.916 -0.787 -11.608 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.789 -1.366 -12.060 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.774 -2.461 -10.692 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.223 -3.161 -13.523 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.370 -4.186 -10.140 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.336 -5.906 -10.544 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.178 -5.367 -14.024 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.228 -6.570 -12.732 1.00 0.00 H new ATOM 270 N GLU A 18 -3.863 0.356 -10.384 1.00 0.00 N ATOM 271 CA GLU A 18 -2.513 0.738 -10.780 1.00 0.00 C ATOM 272 C GLU A 18 -1.839 1.549 -9.677 1.00 0.00 C ATOM 273 O GLU A 18 -0.687 1.301 -9.326 1.00 0.00 O ATOM 274 CB GLU A 18 -2.553 1.556 -12.075 1.00 0.00 C ATOM 275 CG GLU A 18 -2.412 0.718 -13.333 1.00 0.00 C ATOM 276 CD GLU A 18 -2.449 1.554 -14.598 1.00 0.00 C ATOM 277 OE1 GLU A 18 -1.403 2.134 -14.956 1.00 0.00 O ATOM 278 OE2 GLU A 18 -3.523 1.628 -15.230 1.00 0.00 O ATOM 0 H GLU A 18 -4.594 0.676 -11.020 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.935 -0.171 -10.949 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.494 2.104 -12.118 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.753 2.296 -12.051 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.473 0.166 -13.294 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.214 -0.019 -13.366 1.00 0.00 H new ATOM 285 N PHE A 19 -2.569 2.523 -9.139 1.00 0.00 N ATOM 286 CA PHE A 19 -2.048 3.377 -8.076 1.00 0.00 C ATOM 287 C PHE A 19 -1.586 2.548 -6.883 1.00 0.00 C ATOM 288 O PHE A 19 -0.498 2.766 -6.350 1.00 0.00 O ATOM 289 CB PHE A 19 -3.114 4.380 -7.634 1.00 0.00 C ATOM 290 CG PHE A 19 -2.604 5.410 -6.666 1.00 0.00 C ATOM 291 CD1 PHE A 19 -1.847 6.481 -7.109 1.00 0.00 C ATOM 292 CD2 PHE A 19 -2.882 5.305 -5.312 1.00 0.00 C ATOM 293 CE1 PHE A 19 -1.376 7.430 -6.222 1.00 0.00 C ATOM 294 CE2 PHE A 19 -2.414 6.251 -4.419 1.00 0.00 C ATOM 295 CZ PHE A 19 -1.660 7.314 -4.875 1.00 0.00 C ATOM 0 H PHE A 19 -3.524 2.740 -9.423 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.188 3.919 -8.469 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.513 4.886 -8.514 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.942 3.840 -7.175 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.622 6.576 -8.161 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.471 4.475 -4.951 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.787 8.261 -6.581 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.638 6.159 -3.366 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.293 8.054 -4.179 1.00 0.00 H new ATOM 305 N VAL A 20 -2.417 1.597 -6.466 1.00 0.00 N ATOM 306 CA VAL A 20 -2.083 0.739 -5.334 1.00 0.00 C ATOM 307 C VAL A 20 -0.804 -0.043 -5.609 1.00 0.00 C ATOM 308 O VAL A 20 0.133 -0.020 -4.810 1.00 0.00 O ATOM 309 CB VAL A 20 -3.219 -0.252 -5.013 1.00 0.00 C ATOM 310 CG1 VAL A 20 -2.990 -0.904 -3.659 1.00 0.00 C ATOM 311 CG2 VAL A 20 -4.570 0.447 -5.054 1.00 0.00 C ATOM 0 H VAL A 20 -3.323 1.402 -6.893 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.937 1.392 -4.474 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.219 -1.033 -5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.802 -1.601 -3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.043 -1.443 -3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.961 -0.136 -2.886 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.358 -0.270 -4.825 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.586 1.251 -4.318 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.735 0.862 -6.048 1.00 0.00 H new ATOM 321 N THR A 21 -0.770 -0.731 -6.746 1.00 0.00 N ATOM 322 CA THR A 21 0.398 -1.516 -7.127 1.00 0.00 C ATOM 323 C THR A 21 1.621 -0.618 -7.282 1.00 0.00 C ATOM 324 O THR A 21 2.750 -1.044 -7.036 1.00 0.00 O ATOM 325 CB THR A 21 0.132 -2.265 -8.434 1.00 0.00 C ATOM 326 OG1 THR A 21 -1.196 -2.757 -8.470 1.00 0.00 O ATOM 327 CG2 THR A 21 1.062 -3.439 -8.648 1.00 0.00 C ATOM 0 H THR A 21 -1.537 -0.761 -7.418 1.00 0.00 H new ATOM 0 HA THR A 21 0.595 -2.241 -6.337 1.00 0.00 H new ATOM 0 HB THR A 21 0.303 -1.536 -9.226 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.814 -2.017 -8.645 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.821 -3.927 -9.592 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.093 -3.086 -8.675 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.943 -4.151 -7.831 1.00 0.00 H new ATOM 335 N ALA A 22 1.387 0.625 -7.687 1.00 0.00 N ATOM 336 CA ALA A 22 2.470 1.584 -7.870 1.00 0.00 C ATOM 337 C ALA A 22 3.189 1.847 -6.552 1.00 0.00 C ATOM 338 O ALA A 22 4.417 1.817 -6.487 1.00 0.00 O ATOM 339 CB ALA A 22 1.933 2.884 -8.451 1.00 0.00 C ATOM 0 H ALA A 22 0.458 0.992 -7.895 1.00 0.00 H new ATOM 0 HA ALA A 22 3.189 1.159 -8.571 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.753 3.590 -8.582 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.467 2.686 -9.416 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.194 3.308 -7.771 1.00 0.00 H new ATOM 345 N LYS A 23 2.413 2.100 -5.502 1.00 0.00 N ATOM 346 CA LYS A 23 2.976 2.361 -4.183 1.00 0.00 C ATOM 347 C LYS A 23 3.793 1.167 -3.701 1.00 0.00 C ATOM 348 O LYS A 23 4.994 1.283 -3.448 1.00 0.00 O ATOM 349 CB LYS A 23 1.861 2.672 -3.183 1.00 0.00 C ATOM 350 CG LYS A 23 0.986 3.846 -3.591 1.00 0.00 C ATOM 351 CD LYS A 23 1.800 5.124 -3.743 1.00 0.00 C ATOM 352 CE LYS A 23 1.667 5.708 -5.141 1.00 0.00 C ATOM 353 NZ LYS A 23 2.960 6.256 -5.638 1.00 0.00 N ATOM 0 H LYS A 23 1.394 2.130 -5.540 1.00 0.00 H new ATOM 0 HA LYS A 23 3.636 3.225 -4.257 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.235 1.788 -3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.305 2.882 -2.210 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.486 3.618 -4.532 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.207 3.997 -2.844 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.468 5.857 -3.008 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.849 4.915 -3.533 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.313 4.937 -5.825 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.916 6.498 -5.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.828 6.645 -6.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.286 7.010 -5.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.670 5.497 -5.668 1.00 0.00 H new ATOM 367 N PHE A 24 3.137 0.016 -3.585 1.00 0.00 N ATOM 368 CA PHE A 24 3.807 -1.202 -3.144 1.00 0.00 C ATOM 369 C PHE A 24 5.047 -1.463 -3.991 1.00 0.00 C ATOM 370 O PHE A 24 6.105 -1.819 -3.471 1.00 0.00 O ATOM 371 CB PHE A 24 2.854 -2.395 -3.224 1.00 0.00 C ATOM 372 CG PHE A 24 2.070 -2.617 -1.963 1.00 0.00 C ATOM 373 CD1 PHE A 24 2.619 -3.328 -0.907 1.00 0.00 C ATOM 374 CD2 PHE A 24 0.787 -2.113 -1.831 1.00 0.00 C ATOM 375 CE1 PHE A 24 1.899 -3.533 0.256 1.00 0.00 C ATOM 376 CE2 PHE A 24 0.063 -2.313 -0.671 1.00 0.00 C ATOM 377 CZ PHE A 24 0.621 -3.025 0.374 1.00 0.00 C ATOM 0 H PHE A 24 2.144 -0.098 -3.790 1.00 0.00 H new ATOM 0 HA PHE A 24 4.114 -1.069 -2.106 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.161 -2.242 -4.052 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.427 -3.294 -3.450 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.619 -3.726 -0.993 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.347 -1.556 -2.645 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.336 -4.090 1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.937 -1.914 -0.581 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.058 -3.184 1.282 1.00 0.00 H new ATOM 387 N ALA A 25 4.912 -1.273 -5.301 1.00 0.00 N ATOM 388 CA ALA A 25 6.024 -1.476 -6.221 1.00 0.00 C ATOM 389 C ALA A 25 7.253 -0.704 -5.755 1.00 0.00 C ATOM 390 O ALA A 25 8.326 -1.276 -5.576 1.00 0.00 O ATOM 391 CB ALA A 25 5.631 -1.052 -7.629 1.00 0.00 C ATOM 0 H ALA A 25 4.043 -0.979 -5.748 1.00 0.00 H new ATOM 0 HA ALA A 25 6.271 -2.538 -6.235 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.472 -1.210 -8.304 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.780 -1.646 -7.964 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.359 0.003 -7.629 1.00 0.00 H new ATOM 397 N LYS A 26 7.082 0.600 -5.549 1.00 0.00 N ATOM 398 CA LYS A 26 8.176 1.451 -5.093 1.00 0.00 C ATOM 399 C LYS A 26 8.791 0.892 -3.814 1.00 0.00 C ATOM 400 O LYS A 26 9.983 1.065 -3.561 1.00 0.00 O ATOM 401 CB LYS A 26 7.675 2.876 -4.854 1.00 0.00 C ATOM 402 CG LYS A 26 8.731 3.940 -5.104 1.00 0.00 C ATOM 403 CD LYS A 26 9.403 4.375 -3.812 1.00 0.00 C ATOM 404 CE LYS A 26 8.861 5.708 -3.324 1.00 0.00 C ATOM 405 NZ LYS A 26 9.472 6.855 -4.052 1.00 0.00 N ATOM 0 H LYS A 26 6.198 1.089 -5.691 1.00 0.00 H new ATOM 0 HA LYS A 26 8.942 1.471 -5.868 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.819 3.065 -5.502 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.321 2.961 -3.826 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.482 3.554 -5.793 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.272 4.804 -5.585 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.247 3.615 -3.046 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.479 4.454 -3.969 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.779 5.730 -3.454 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.055 5.810 -2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.076 7.746 -3.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.502 6.849 -3.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.265 6.771 -5.068 1.00 0.00 H new ATOM 419 N LEU A 27 7.973 0.205 -3.020 1.00 0.00 N ATOM 420 CA LEU A 27 8.445 -0.394 -1.777 1.00 0.00 C ATOM 421 C LEU A 27 9.187 -1.694 -2.062 1.00 0.00 C ATOM 422 O LEU A 27 10.058 -2.107 -1.296 1.00 0.00 O ATOM 423 CB LEU A 27 7.276 -0.655 -0.826 1.00 0.00 C ATOM 424 CG LEU A 27 6.797 0.563 -0.036 1.00 0.00 C ATOM 425 CD1 LEU A 27 5.711 1.304 -0.802 1.00 0.00 C ATOM 426 CD2 LEU A 27 6.290 0.144 1.337 1.00 0.00 C ATOM 0 H LEU A 27 6.984 0.050 -3.215 1.00 0.00 H new ATOM 0 HA LEU A 27 9.131 0.306 -1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.438 -1.046 -1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.568 -1.434 -0.121 1.00 0.00 H new ATOM 0 HG LEU A 27 7.642 1.237 0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.383 2.168 -0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.106 1.638 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.865 0.637 -0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.953 1.024 1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.459 -0.551 1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.095 -0.341 1.889 1.00 0.00 H new ATOM 438 N GLU A 28 8.840 -2.331 -3.177 1.00 0.00 N ATOM 439 CA GLU A 28 9.471 -3.580 -3.579 1.00 0.00 C ATOM 440 C GLU A 28 10.938 -3.361 -3.951 1.00 0.00 C ATOM 441 O GLU A 28 11.708 -4.316 -4.055 1.00 0.00 O ATOM 442 CB GLU A 28 8.717 -4.200 -4.758 1.00 0.00 C ATOM 443 CG GLU A 28 7.907 -5.432 -4.382 1.00 0.00 C ATOM 444 CD GLU A 28 8.197 -6.618 -5.281 1.00 0.00 C ATOM 445 OE1 GLU A 28 8.667 -6.401 -6.418 1.00 0.00 O ATOM 446 OE2 GLU A 28 7.952 -7.764 -4.849 1.00 0.00 O ATOM 0 H GLU A 28 8.121 -1.999 -3.820 1.00 0.00 H new ATOM 0 HA GLU A 28 9.433 -4.265 -2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.049 -3.452 -5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.432 -4.469 -5.535 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.123 -5.703 -3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.845 -5.193 -4.433 1.00 0.00 H new ATOM 453 N GLN A 29 11.319 -2.101 -4.151 1.00 0.00 N ATOM 454 CA GLN A 29 12.692 -1.766 -4.512 1.00 0.00 C ATOM 455 C GLN A 29 13.629 -1.930 -3.319 1.00 0.00 C ATOM 456 O GLN A 29 14.565 -2.729 -3.359 1.00 0.00 O ATOM 457 CB GLN A 29 12.767 -0.332 -5.041 1.00 0.00 C ATOM 458 CG GLN A 29 14.163 0.083 -5.476 1.00 0.00 C ATOM 459 CD GLN A 29 14.485 -0.347 -6.893 1.00 0.00 C ATOM 460 OE1 GLN A 29 14.057 0.287 -7.858 1.00 0.00 O ATOM 461 NE2 GLN A 29 15.242 -1.429 -7.027 1.00 0.00 N ATOM 0 H GLN A 29 10.696 -1.297 -4.069 1.00 0.00 H new ATOM 0 HA GLN A 29 13.011 -2.453 -5.295 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.086 -0.229 -5.886 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.419 0.351 -4.266 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.256 1.166 -5.399 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.895 -0.349 -4.794 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.575 -1.924 -6.200 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.491 -1.765 -7.957 1.00 0.00 H new ATOM 470 N TYR A 30 13.376 -1.168 -2.259 1.00 0.00 N ATOM 471 CA TYR A 30 14.207 -1.235 -1.060 1.00 0.00 C ATOM 472 C TYR A 30 13.820 -2.419 -0.176 1.00 0.00 C ATOM 473 O TYR A 30 14.651 -2.942 0.567 1.00 0.00 O ATOM 474 CB TYR A 30 14.144 0.076 -0.260 1.00 0.00 C ATOM 475 CG TYR A 30 12.810 0.795 -0.314 1.00 0.00 C ATOM 476 CD1 TYR A 30 11.793 0.499 0.587 1.00 0.00 C ATOM 477 CD2 TYR A 30 12.574 1.784 -1.262 1.00 0.00 C ATOM 478 CE1 TYR A 30 10.584 1.166 0.544 1.00 0.00 C ATOM 479 CE2 TYR A 30 11.367 2.454 -1.311 1.00 0.00 C ATOM 480 CZ TYR A 30 10.375 2.142 -0.407 1.00 0.00 C ATOM 481 OH TYR A 30 9.171 2.807 -0.452 1.00 0.00 O ATOM 0 H TYR A 30 12.607 -0.500 -2.205 1.00 0.00 H new ATOM 0 HA TYR A 30 15.235 -1.382 -1.391 1.00 0.00 H new ATOM 0 HB2 TYR A 30 14.382 -0.140 0.782 1.00 0.00 H new ATOM 0 HB3 TYR A 30 14.918 0.748 -0.631 1.00 0.00 H new ATOM 0 HD1 TYR A 30 11.951 -0.266 1.333 1.00 0.00 H new ATOM 0 HD2 TYR A 30 13.348 2.033 -1.973 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.806 0.924 1.253 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.202 3.219 -2.055 1.00 0.00 H new ATOM 0 HH TYR A 30 9.311 3.715 -0.792 1.00 0.00 H new ATOM 491 N PHE A 31 12.564 -2.845 -0.261 1.00 0.00 N ATOM 492 CA PHE A 31 12.086 -3.976 0.532 1.00 0.00 C ATOM 493 C PHE A 31 11.645 -5.130 -0.361 1.00 0.00 C ATOM 494 O PHE A 31 10.740 -4.986 -1.179 1.00 0.00 O ATOM 495 CB PHE A 31 10.933 -3.549 1.445 1.00 0.00 C ATOM 496 CG PHE A 31 11.387 -3.008 2.771 1.00 0.00 C ATOM 497 CD1 PHE A 31 12.433 -2.105 2.847 1.00 0.00 C ATOM 498 CD2 PHE A 31 10.773 -3.413 3.944 1.00 0.00 C ATOM 499 CE1 PHE A 31 12.859 -1.615 4.064 1.00 0.00 C ATOM 500 CE2 PHE A 31 11.194 -2.924 5.165 1.00 0.00 C ATOM 501 CZ PHE A 31 12.238 -2.024 5.225 1.00 0.00 C ATOM 0 H PHE A 31 11.859 -2.427 -0.868 1.00 0.00 H new ATOM 0 HA PHE A 31 12.916 -4.319 1.150 1.00 0.00 H new ATOM 0 HB2 PHE A 31 10.339 -2.790 0.936 1.00 0.00 H new ATOM 0 HB3 PHE A 31 10.279 -4.404 1.615 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.922 -1.779 1.941 1.00 0.00 H new ATOM 0 HD2 PHE A 31 9.956 -4.119 3.904 1.00 0.00 H new ATOM 0 HE1 PHE A 31 13.678 -0.912 4.107 1.00 0.00 H new ATOM 0 HE2 PHE A 31 10.706 -3.246 6.073 1.00 0.00 H new ATOM 0 HZ PHE A 31 12.568 -1.641 6.179 1.00 0.00 H new ATOM 511 N ASP A 32 12.295 -6.278 -0.193 1.00 0.00 N ATOM 512 CA ASP A 32 11.971 -7.464 -0.981 1.00 0.00 C ATOM 513 C ASP A 32 11.255 -8.518 -0.135 1.00 0.00 C ATOM 514 O ASP A 32 10.930 -9.598 -0.625 1.00 0.00 O ATOM 515 CB ASP A 32 13.243 -8.060 -1.585 1.00 0.00 C ATOM 516 CG ASP A 32 13.556 -7.490 -2.956 1.00 0.00 C ATOM 517 OD1 ASP A 32 12.642 -7.454 -3.806 1.00 0.00 O ATOM 518 OD2 ASP A 32 14.714 -7.079 -3.177 1.00 0.00 O ATOM 0 H ASP A 32 13.049 -6.413 0.481 1.00 0.00 H new ATOM 0 HA ASP A 32 11.298 -7.158 -1.782 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.082 -7.871 -0.916 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.133 -9.142 -1.661 1.00 0.00 H new ATOM 523 N ARG A 33 11.014 -8.201 1.136 1.00 0.00 N ATOM 524 CA ARG A 33 10.337 -9.128 2.036 1.00 0.00 C ATOM 525 C ARG A 33 8.824 -9.057 1.854 1.00 0.00 C ATOM 526 O ARG A 33 8.088 -8.750 2.792 1.00 0.00 O ATOM 527 CB ARG A 33 10.703 -8.818 3.488 1.00 0.00 C ATOM 528 CG ARG A 33 12.195 -8.640 3.717 1.00 0.00 C ATOM 529 CD ARG A 33 12.934 -9.968 3.656 1.00 0.00 C ATOM 530 NE ARG A 33 13.975 -9.969 2.632 1.00 0.00 N ATOM 531 CZ ARG A 33 15.173 -9.410 2.791 1.00 0.00 C ATOM 532 NH1 ARG A 33 15.484 -8.806 3.931 1.00 0.00 N ATOM 533 NH2 ARG A 33 16.062 -9.457 1.809 1.00 0.00 N ATOM 0 H ARG A 33 11.277 -7.313 1.563 1.00 0.00 H new ATOM 0 HA ARG A 33 10.666 -10.138 1.793 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.186 -7.910 3.798 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.340 -9.625 4.125 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.601 -7.963 2.966 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.361 -8.175 4.689 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.381 -10.179 4.627 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.224 -10.769 3.451 1.00 0.00 H new ATOM 0 HE ARG A 33 13.772 -10.425 1.742 1.00 0.00 H new ATOM 0 HH11 ARG A 33 14.804 -8.768 4.690 1.00 0.00 H new ATOM 0 HH12 ARG A 33 16.403 -8.379 4.048 1.00 0.00 H new ATOM 0 HH21 ARG A 33 15.828 -9.921 0.931 1.00 0.00 H new ATOM 0 HH22 ARG A 33 16.980 -9.029 1.931 1.00 0.00 H new ATOM 547 N ILE A 34 8.366 -9.341 0.640 1.00 0.00 N ATOM 548 CA ILE A 34 6.942 -9.308 0.336 1.00 0.00 C ATOM 549 C ILE A 34 6.521 -10.545 -0.451 1.00 0.00 C ATOM 550 O ILE A 34 6.910 -10.717 -1.606 1.00 0.00 O ATOM 551 CB ILE A 34 6.567 -8.048 -0.469 1.00 0.00 C ATOM 552 CG1 ILE A 34 7.109 -6.793 0.221 1.00 0.00 C ATOM 553 CG2 ILE A 34 5.056 -7.956 -0.642 1.00 0.00 C ATOM 554 CD1 ILE A 34 7.297 -5.623 -0.720 1.00 0.00 C ATOM 0 H ILE A 34 8.960 -9.596 -0.149 1.00 0.00 H new ATOM 0 HA ILE A 34 6.415 -9.289 1.290 1.00 0.00 H new ATOM 0 HB ILE A 34 7.021 -8.120 -1.457 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.425 -6.502 1.018 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.064 -7.029 0.690 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.809 -7.061 -1.212 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.696 -8.836 -1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.580 -7.905 0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.683 -4.768 -0.165 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.004 -5.896 -1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.340 -5.361 -1.170 1.00 0.00 H new ATOM 566 N ASN A 35 5.723 -11.403 0.177 1.00 0.00 N ATOM 567 CA ASN A 35 5.250 -12.621 -0.469 1.00 0.00 C ATOM 568 C ASN A 35 3.755 -12.535 -0.765 1.00 0.00 C ATOM 569 O ASN A 35 3.335 -12.627 -1.919 1.00 0.00 O ATOM 570 CB ASN A 35 5.543 -13.845 0.404 1.00 0.00 C ATOM 571 CG ASN A 35 5.321 -13.577 1.881 1.00 0.00 C ATOM 572 OD1 ASN A 35 4.290 -13.946 2.444 1.00 0.00 O ATOM 573 ND2 ASN A 35 6.292 -12.933 2.517 1.00 0.00 N ATOM 0 H ASN A 35 5.391 -11.277 1.133 1.00 0.00 H new ATOM 0 HA ASN A 35 5.784 -12.728 -1.413 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.906 -14.672 0.089 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.575 -14.160 0.247 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.200 -12.726 3.512 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.130 -12.645 2.011 1.00 0.00 H new ATOM 580 N GLN A 36 2.956 -12.354 0.282 1.00 0.00 N ATOM 581 CA GLN A 36 1.508 -12.252 0.130 1.00 0.00 C ATOM 582 C GLN A 36 0.986 -10.969 0.766 1.00 0.00 C ATOM 583 O GLN A 36 1.096 -10.776 1.977 1.00 0.00 O ATOM 584 CB GLN A 36 0.817 -13.463 0.761 1.00 0.00 C ATOM 585 CG GLN A 36 -0.256 -14.077 -0.120 1.00 0.00 C ATOM 586 CD GLN A 36 0.321 -14.849 -1.290 1.00 0.00 C ATOM 587 OE1 GLN A 36 0.640 -16.032 -1.172 1.00 0.00 O ATOM 588 NE2 GLN A 36 0.459 -14.181 -2.430 1.00 0.00 N ATOM 0 H GLN A 36 3.286 -12.275 1.244 1.00 0.00 H new ATOM 0 HA GLN A 36 1.282 -12.230 -0.936 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.567 -14.221 0.988 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.370 -13.163 1.709 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.876 -14.743 0.480 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.907 -13.288 -0.496 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.182 -13.201 -2.484 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.842 -14.648 -3.252 1.00 0.00 H new ATOM 597 N VAL A 37 0.415 -10.097 -0.055 1.00 0.00 N ATOM 598 CA VAL A 37 -0.128 -8.835 0.431 1.00 0.00 C ATOM 599 C VAL A 37 -1.561 -8.635 -0.047 1.00 0.00 C ATOM 600 O VAL A 37 -1.872 -8.850 -1.218 1.00 0.00 O ATOM 601 CB VAL A 37 0.725 -7.640 -0.034 1.00 0.00 C ATOM 602 CG1 VAL A 37 0.263 -6.358 0.645 1.00 0.00 C ATOM 603 CG2 VAL A 37 2.199 -7.896 0.239 1.00 0.00 C ATOM 0 H VAL A 37 0.316 -10.240 -1.060 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.112 -8.882 1.520 1.00 0.00 H new ATOM 0 HB VAL A 37 0.595 -7.521 -1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.877 -5.524 0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.780 -6.168 0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.361 -6.463 1.726 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.785 -7.040 -0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.351 -8.043 1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.519 -8.788 -0.299 1.00 0.00 H new ATOM 613 N TYR A 38 -2.428 -8.216 0.868 1.00 0.00 N ATOM 614 CA TYR A 38 -3.829 -7.978 0.541 1.00 0.00 C ATOM 615 C TYR A 38 -4.273 -6.612 1.051 1.00 0.00 C ATOM 616 O TYR A 38 -3.875 -6.182 2.133 1.00 0.00 O ATOM 617 CB TYR A 38 -4.719 -9.082 1.124 1.00 0.00 C ATOM 618 CG TYR A 38 -4.244 -9.627 2.454 1.00 0.00 C ATOM 619 CD1 TYR A 38 -3.099 -10.412 2.538 1.00 0.00 C ATOM 620 CD2 TYR A 38 -4.944 -9.360 3.622 1.00 0.00 C ATOM 621 CE1 TYR A 38 -2.669 -10.915 3.750 1.00 0.00 C ATOM 622 CE2 TYR A 38 -4.518 -9.858 4.840 1.00 0.00 C ATOM 623 CZ TYR A 38 -3.380 -10.635 4.898 1.00 0.00 C ATOM 624 OH TYR A 38 -2.953 -11.133 6.107 1.00 0.00 O ATOM 0 H TYR A 38 -2.185 -8.034 1.842 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.932 -7.993 -0.544 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.730 -8.692 1.244 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.777 -9.902 0.408 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.538 -10.631 1.642 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.836 -8.753 3.579 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.779 -11.525 3.799 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.073 -9.640 5.740 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.155 -11.686 5.970 1.00 0.00 H new ATOM 634 N VAL A 39 -5.094 -5.931 0.260 1.00 0.00 N ATOM 635 CA VAL A 39 -5.582 -4.607 0.626 1.00 0.00 C ATOM 636 C VAL A 39 -7.075 -4.465 0.351 1.00 0.00 C ATOM 637 O VAL A 39 -7.592 -5.005 -0.629 1.00 0.00 O ATOM 638 CB VAL A 39 -4.827 -3.502 -0.137 1.00 0.00 C ATOM 639 CG1 VAL A 39 -5.160 -2.131 0.432 1.00 0.00 C ATOM 640 CG2 VAL A 39 -3.327 -3.753 -0.098 1.00 0.00 C ATOM 0 H VAL A 39 -5.435 -6.274 -0.638 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.404 -4.494 1.695 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.149 -3.524 -1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.616 -1.365 -0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.231 -1.951 0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.871 -2.093 1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.811 -2.962 -0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.986 -3.762 0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.107 -4.715 -0.561 1.00 0.00 H new ATOM 650 N VAL A 40 -7.760 -3.729 1.222 1.00 0.00 N ATOM 651 CA VAL A 40 -9.191 -3.504 1.074 1.00 0.00 C ATOM 652 C VAL A 40 -9.543 -2.055 1.369 1.00 0.00 C ATOM 653 O VAL A 40 -9.073 -1.471 2.344 1.00 0.00 O ATOM 654 CB VAL A 40 -10.012 -4.424 1.997 1.00 0.00 C ATOM 655 CG1 VAL A 40 -11.492 -4.340 1.658 1.00 0.00 C ATOM 656 CG2 VAL A 40 -9.516 -5.859 1.902 1.00 0.00 C ATOM 0 H VAL A 40 -7.345 -3.279 2.038 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.443 -3.737 0.039 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.879 -4.086 3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.055 -4.997 2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.837 -3.314 1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.647 -4.649 0.624 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.109 -6.493 2.561 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.615 -6.211 0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.469 -5.903 2.201 1.00 0.00 H new ATOM 666 N LEU A 41 -10.356 -1.479 0.499 1.00 0.00 N ATOM 667 CA LEU A 41 -10.766 -0.093 0.631 1.00 0.00 C ATOM 668 C LEU A 41 -12.278 0.067 0.487 1.00 0.00 C ATOM 669 O LEU A 41 -12.863 -0.325 -0.521 1.00 0.00 O ATOM 670 CB LEU A 41 -10.030 0.763 -0.407 1.00 0.00 C ATOM 671 CG LEU A 41 -9.713 0.067 -1.739 1.00 0.00 C ATOM 672 CD1 LEU A 41 -8.707 -1.059 -1.537 1.00 0.00 C ATOM 673 CD2 LEU A 41 -10.983 -0.457 -2.394 1.00 0.00 C ATOM 0 H LEU A 41 -10.748 -1.956 -0.313 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.502 0.246 1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.632 1.648 -0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.095 1.110 0.032 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.267 0.805 -2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.498 -1.537 -2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.783 -0.652 -1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.119 -1.795 -0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.732 -0.945 -3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.465 -1.175 -1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.663 0.373 -2.586 1.00 0.00 H new ATOM 685 N LYS A 42 -12.901 0.656 1.502 1.00 0.00 N ATOM 686 CA LYS A 42 -14.341 0.880 1.490 1.00 0.00 C ATOM 687 C LYS A 42 -14.649 2.327 1.122 1.00 0.00 C ATOM 688 O LYS A 42 -13.931 3.245 1.523 1.00 0.00 O ATOM 689 CB LYS A 42 -14.947 0.537 2.856 1.00 0.00 C ATOM 690 CG LYS A 42 -16.413 0.919 2.990 1.00 0.00 C ATOM 691 CD LYS A 42 -17.000 0.432 4.306 1.00 0.00 C ATOM 692 CE LYS A 42 -16.247 0.999 5.498 1.00 0.00 C ATOM 693 NZ LYS A 42 -16.780 0.483 6.789 1.00 0.00 N ATOM 0 H LYS A 42 -12.430 0.987 2.344 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.787 0.228 0.739 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.843 -0.534 3.031 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.376 1.044 3.634 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.515 2.002 2.924 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.978 0.495 2.160 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -18.049 0.721 4.366 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.967 -0.657 4.339 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.190 0.745 5.414 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.315 2.087 5.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.239 0.894 7.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.782 0.747 6.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.692 -0.553 6.812 1.00 0.00 H new ATOM 707 N VAL A 43 -15.715 2.522 0.353 1.00 0.00 N ATOM 708 CA VAL A 43 -16.112 3.857 -0.075 1.00 0.00 C ATOM 709 C VAL A 43 -17.535 4.182 0.365 1.00 0.00 C ATOM 710 O VAL A 43 -18.503 3.680 -0.203 1.00 0.00 O ATOM 711 CB VAL A 43 -16.017 4.006 -1.604 1.00 0.00 C ATOM 712 CG1 VAL A 43 -16.249 5.451 -2.017 1.00 0.00 C ATOM 713 CG2 VAL A 43 -14.669 3.510 -2.106 1.00 0.00 C ATOM 0 H VAL A 43 -16.319 1.773 0.014 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.422 4.555 0.398 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.796 3.394 -2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -16.178 5.535 -3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -17.240 5.767 -1.693 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.495 6.087 -1.553 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.620 3.623 -3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -13.872 4.092 -1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.548 2.459 -1.845 1.00 0.00 H new ATOM 723 N GLU A 44 -17.651 5.034 1.379 1.00 0.00 N ATOM 724 CA GLU A 44 -18.951 5.440 1.893 1.00 0.00 C ATOM 725 C GLU A 44 -19.089 6.958 1.860 1.00 0.00 C ATOM 726 O GLU A 44 -18.098 7.683 1.926 1.00 0.00 O ATOM 727 CB GLU A 44 -19.152 4.921 3.320 1.00 0.00 C ATOM 728 CG GLU A 44 -17.922 5.057 4.198 1.00 0.00 C ATOM 729 CD GLU A 44 -18.144 4.524 5.601 1.00 0.00 C ATOM 730 OE1 GLU A 44 -19.290 4.604 6.091 1.00 0.00 O ATOM 731 OE2 GLU A 44 -17.173 4.026 6.208 1.00 0.00 O ATOM 0 H GLU A 44 -16.857 5.456 1.861 1.00 0.00 H new ATOM 0 HA GLU A 44 -19.721 5.007 1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -19.978 5.462 3.781 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.443 3.871 3.278 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -17.091 4.523 3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -17.634 6.107 4.254 1.00 0.00 H new ATOM 738 N LYS A 45 -20.325 7.432 1.744 1.00 0.00 N ATOM 739 CA LYS A 45 -20.601 8.864 1.688 1.00 0.00 C ATOM 740 C LYS A 45 -19.962 9.612 2.858 1.00 0.00 C ATOM 741 O LYS A 45 -19.756 10.824 2.787 1.00 0.00 O ATOM 742 CB LYS A 45 -22.112 9.109 1.679 1.00 0.00 C ATOM 743 CG LYS A 45 -22.498 10.509 1.228 1.00 0.00 C ATOM 744 CD LYS A 45 -22.982 11.358 2.392 1.00 0.00 C ATOM 745 CE LYS A 45 -23.711 12.601 1.910 1.00 0.00 C ATOM 746 NZ LYS A 45 -22.767 13.655 1.447 1.00 0.00 N ATOM 0 H LYS A 45 -21.155 6.843 1.687 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.162 9.247 0.767 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.586 8.381 1.021 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.506 8.937 2.681 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -21.640 10.990 0.758 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -23.281 10.446 0.473 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -23.646 10.767 3.023 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -22.132 11.650 3.009 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -24.384 12.334 1.096 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -24.328 12.996 2.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -23.304 14.486 1.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -22.141 13.929 2.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -22.195 13.288 0.660 1.00 0.00 H new ATOM 760 N VAL A 46 -19.660 8.896 3.938 1.00 0.00 N ATOM 761 CA VAL A 46 -19.057 9.514 5.114 1.00 0.00 C ATOM 762 C VAL A 46 -17.535 9.618 4.981 1.00 0.00 C ATOM 763 O VAL A 46 -17.015 10.656 4.571 1.00 0.00 O ATOM 764 CB VAL A 46 -19.415 8.740 6.399 1.00 0.00 C ATOM 765 CG1 VAL A 46 -18.835 9.429 7.624 1.00 0.00 C ATOM 766 CG2 VAL A 46 -20.925 8.597 6.524 1.00 0.00 C ATOM 0 H VAL A 46 -19.822 7.893 4.023 1.00 0.00 H new ATOM 0 HA VAL A 46 -19.466 10.522 5.184 1.00 0.00 H new ATOM 0 HB VAL A 46 -18.977 7.744 6.336 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.100 8.865 8.518 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -17.750 9.478 7.534 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -19.238 10.439 7.699 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.164 8.049 7.435 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -21.382 9.586 6.565 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -21.312 8.054 5.662 1.00 0.00 H new ATOM 776 N THR A 47 -16.826 8.548 5.332 1.00 0.00 N ATOM 777 CA THR A 47 -15.368 8.540 5.252 1.00 0.00 C ATOM 778 C THR A 47 -14.861 7.315 4.498 1.00 0.00 C ATOM 779 O THR A 47 -15.497 6.263 4.502 1.00 0.00 O ATOM 780 CB THR A 47 -14.760 8.575 6.655 1.00 0.00 C ATOM 781 OG1 THR A 47 -15.635 9.220 7.565 1.00 0.00 O ATOM 782 CG2 THR A 47 -13.428 9.291 6.713 1.00 0.00 C ATOM 0 H THR A 47 -17.236 7.678 5.673 1.00 0.00 H new ATOM 0 HA THR A 47 -15.060 9.430 4.703 1.00 0.00 H new ATOM 0 HB THR A 47 -14.605 7.531 6.928 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.229 9.231 8.457 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.053 9.279 7.736 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.716 8.788 6.059 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.555 10.323 6.385 1.00 0.00 H new ATOM 790 N HIS A 48 -13.702 7.455 3.863 1.00 0.00 N ATOM 791 CA HIS A 48 -13.102 6.356 3.115 1.00 0.00 C ATOM 792 C HIS A 48 -12.116 5.594 3.994 1.00 0.00 C ATOM 793 O HIS A 48 -11.273 6.197 4.658 1.00 0.00 O ATOM 794 CB HIS A 48 -12.398 6.887 1.866 1.00 0.00 C ATOM 795 CG HIS A 48 -13.289 7.701 0.982 1.00 0.00 C ATOM 796 ND1 HIS A 48 -13.315 7.569 -0.391 1.00 0.00 N ATOM 797 CD2 HIS A 48 -14.196 8.663 1.282 1.00 0.00 C ATOM 798 CE1 HIS A 48 -14.196 8.414 -0.896 1.00 0.00 C ATOM 799 NE2 HIS A 48 -14.746 9.088 0.098 1.00 0.00 N ATOM 0 H HIS A 48 -13.159 8.319 3.851 1.00 0.00 H new ATOM 0 HA HIS A 48 -13.893 5.673 2.805 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.546 7.495 2.169 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.003 6.046 1.296 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.440 9.027 2.269 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.427 8.534 -1.944 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -15.463 9.807 0.002 1.00 0.00 H new ATOM 808 N THR A 49 -12.235 4.270 4.008 1.00 0.00 N ATOM 809 CA THR A 49 -11.355 3.440 4.826 1.00 0.00 C ATOM 810 C THR A 49 -10.566 2.446 3.979 1.00 0.00 C ATOM 811 O THR A 49 -11.091 1.866 3.030 1.00 0.00 O ATOM 812 CB THR A 49 -12.170 2.690 5.881 1.00 0.00 C ATOM 813 OG1 THR A 49 -12.951 3.590 6.646 1.00 0.00 O ATOM 814 CG2 THR A 49 -11.315 1.894 6.843 1.00 0.00 C ATOM 0 H THR A 49 -12.927 3.751 3.467 1.00 0.00 H new ATOM 0 HA THR A 49 -10.641 4.102 5.317 1.00 0.00 H new ATOM 0 HB THR A 49 -12.799 1.999 5.321 1.00 0.00 H new ATOM 0 HG1 THR A 49 -13.466 3.090 7.314 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.955 1.387 7.565 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.736 1.155 6.289 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.637 2.566 7.369 1.00 0.00 H new ATOM 822 N SER A 50 -9.302 2.253 4.340 1.00 0.00 N ATOM 823 CA SER A 50 -8.429 1.326 3.628 1.00 0.00 C ATOM 824 C SER A 50 -7.578 0.531 4.612 1.00 0.00 C ATOM 825 O SER A 50 -7.144 1.059 5.634 1.00 0.00 O ATOM 826 CB SER A 50 -7.528 2.084 2.651 1.00 0.00 C ATOM 827 OG SER A 50 -6.417 2.656 3.320 1.00 0.00 O ATOM 0 H SER A 50 -8.857 2.729 5.125 1.00 0.00 H new ATOM 0 HA SER A 50 -9.053 0.632 3.065 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.178 1.405 1.873 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.101 2.868 2.156 1.00 0.00 H new ATOM 0 HG SER A 50 -6.724 3.116 4.129 1.00 0.00 H new ATOM 833 N ASP A 51 -7.344 -0.740 4.301 1.00 0.00 N ATOM 834 CA ASP A 51 -6.545 -1.598 5.170 1.00 0.00 C ATOM 835 C ASP A 51 -5.437 -2.298 4.391 1.00 0.00 C ATOM 836 O ASP A 51 -5.601 -2.629 3.217 1.00 0.00 O ATOM 837 CB ASP A 51 -7.436 -2.632 5.863 1.00 0.00 C ATOM 838 CG ASP A 51 -8.229 -3.471 4.880 1.00 0.00 C ATOM 839 OD1 ASP A 51 -7.683 -3.805 3.808 1.00 0.00 O ATOM 840 OD2 ASP A 51 -9.397 -3.795 5.184 1.00 0.00 O ATOM 0 H ASP A 51 -7.694 -1.197 3.459 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.079 -0.966 5.926 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.817 -3.286 6.477 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.124 -2.120 6.536 1.00 0.00 H new ATOM 845 N ALA A 52 -4.308 -2.521 5.058 1.00 0.00 N ATOM 846 CA ALA A 52 -3.168 -3.182 4.435 1.00 0.00 C ATOM 847 C ALA A 52 -2.583 -4.249 5.354 1.00 0.00 C ATOM 848 O ALA A 52 -2.498 -4.061 6.567 1.00 0.00 O ATOM 849 CB ALA A 52 -2.102 -2.163 4.067 1.00 0.00 C ATOM 0 H ALA A 52 -4.159 -2.253 6.031 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.517 -3.671 3.526 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.257 -2.672 3.603 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.518 -1.438 3.367 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.765 -1.648 4.967 1.00 0.00 H new ATOM 855 N THR A 53 -2.179 -5.368 4.765 1.00 0.00 N ATOM 856 CA THR A 53 -1.596 -6.467 5.526 1.00 0.00 C ATOM 857 C THR A 53 -0.437 -7.100 4.765 1.00 0.00 C ATOM 858 O THR A 53 -0.647 -7.833 3.798 1.00 0.00 O ATOM 859 CB THR A 53 -2.659 -7.521 5.831 1.00 0.00 C ATOM 860 OG1 THR A 53 -3.947 -6.935 5.885 1.00 0.00 O ATOM 861 CG2 THR A 53 -2.428 -8.243 7.141 1.00 0.00 C ATOM 0 H THR A 53 -2.244 -5.539 3.762 1.00 0.00 H new ATOM 0 HA THR A 53 -1.213 -6.065 6.464 1.00 0.00 H new ATOM 0 HB THR A 53 -2.588 -8.244 5.019 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.614 -7.582 5.575 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.219 -8.977 7.296 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.463 -8.749 7.112 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.436 -7.523 7.959 1.00 0.00 H new ATOM 869 N LEU A 54 0.784 -6.816 5.204 1.00 0.00 N ATOM 870 CA LEU A 54 1.972 -7.364 4.557 1.00 0.00 C ATOM 871 C LEU A 54 2.489 -8.583 5.312 1.00 0.00 C ATOM 872 O LEU A 54 2.442 -8.628 6.542 1.00 0.00 O ATOM 873 CB LEU A 54 3.067 -6.297 4.473 1.00 0.00 C ATOM 874 CG LEU A 54 2.976 -5.367 3.262 1.00 0.00 C ATOM 875 CD1 LEU A 54 3.142 -3.915 3.687 1.00 0.00 C ATOM 876 CD2 LEU A 54 4.025 -5.740 2.224 1.00 0.00 C ATOM 0 H LEU A 54 0.978 -6.212 6.002 1.00 0.00 H new ATOM 0 HA LEU A 54 1.698 -7.675 3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.033 -5.692 5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.037 -6.794 4.457 1.00 0.00 H new ATOM 0 HG LEU A 54 1.989 -5.483 2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.074 -3.270 2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.356 -3.651 4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.115 -3.783 4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.946 -5.068 1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.019 -5.653 2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.862 -6.766 1.895 1.00 0.00 H new ATOM 888 N HIS A 55 2.984 -9.568 4.572 1.00 0.00 N ATOM 889 CA HIS A 55 3.512 -10.786 5.174 1.00 0.00 C ATOM 890 C HIS A 55 5.022 -10.688 5.368 1.00 0.00 C ATOM 891 O HIS A 55 5.775 -10.576 4.400 1.00 0.00 O ATOM 892 CB HIS A 55 3.173 -12.001 4.308 1.00 0.00 C ATOM 893 CG HIS A 55 1.819 -12.577 4.585 1.00 0.00 C ATOM 894 ND1 HIS A 55 1.607 -13.918 4.823 1.00 0.00 N ATOM 895 CD2 HIS A 55 0.603 -11.985 4.665 1.00 0.00 C ATOM 896 CE1 HIS A 55 0.321 -14.127 5.038 1.00 0.00 C ATOM 897 NE2 HIS A 55 -0.311 -12.973 4.948 1.00 0.00 N ATOM 0 H HIS A 55 3.031 -9.547 3.553 1.00 0.00 H new ATOM 0 HA HIS A 55 3.046 -10.907 6.152 1.00 0.00 H new ATOM 0 HB2 HIS A 55 3.229 -11.715 3.258 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.926 -12.772 4.468 1.00 0.00 H new ATOM 0 HD1 HIS A 55 2.331 -14.637 4.832 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.391 -10.934 4.532 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -0.136 -15.082 5.252 1.00 0.00 H new ATOM 906 N VAL A 56 5.456 -10.737 6.622 1.00 0.00 N ATOM 907 CA VAL A 56 6.876 -10.659 6.945 1.00 0.00 C ATOM 908 C VAL A 56 7.497 -12.050 6.982 1.00 0.00 C ATOM 909 O VAL A 56 6.788 -13.056 6.961 1.00 0.00 O ATOM 910 CB VAL A 56 7.118 -9.967 8.303 1.00 0.00 C ATOM 911 CG1 VAL A 56 8.507 -9.348 8.348 1.00 0.00 C ATOM 912 CG2 VAL A 56 6.054 -8.913 8.577 1.00 0.00 C ATOM 0 H VAL A 56 4.844 -10.830 7.433 1.00 0.00 H new ATOM 0 HA VAL A 56 7.346 -10.065 6.161 1.00 0.00 H new ATOM 0 HB VAL A 56 7.051 -10.725 9.084 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.659 -8.865 9.313 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.257 -10.127 8.210 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.602 -8.608 7.553 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.249 -8.441 9.540 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.079 -8.158 7.791 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.071 -9.384 8.596 1.00 0.00 H new ATOM 922 N ASN A 57 8.826 -12.104 7.037 1.00 0.00 N ATOM 923 CA ASN A 57 9.540 -13.378 7.077 1.00 0.00 C ATOM 924 C ASN A 57 8.927 -14.317 8.115 1.00 0.00 C ATOM 925 O ASN A 57 8.529 -15.437 7.793 1.00 0.00 O ATOM 926 CB ASN A 57 11.019 -13.147 7.393 1.00 0.00 C ATOM 927 CG ASN A 57 11.716 -12.326 6.326 1.00 0.00 C ATOM 928 OD1 ASN A 57 11.299 -11.211 6.012 1.00 0.00 O ATOM 929 ND2 ASN A 57 12.785 -12.876 5.761 1.00 0.00 N ATOM 0 H ASN A 57 9.429 -11.282 7.055 1.00 0.00 H new ATOM 0 HA ASN A 57 9.452 -13.845 6.096 1.00 0.00 H new ATOM 0 HB2 ASN A 57 11.108 -12.640 8.354 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.521 -14.109 7.493 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.295 -12.371 5.036 1.00 0.00 H new ATOM 0 HD22 ASN A 57 13.096 -13.803 6.052 1.00 0.00 H new ATOM 936 N GLY A 58 8.854 -13.852 9.357 1.00 0.00 N ATOM 937 CA GLY A 58 8.287 -14.661 10.420 1.00 0.00 C ATOM 938 C GLY A 58 6.931 -14.156 10.876 1.00 0.00 C ATOM 939 O GLY A 58 5.981 -14.931 10.995 1.00 0.00 O ATOM 0 H GLY A 58 9.177 -12.929 9.647 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.190 -15.691 10.076 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.971 -14.671 11.268 1.00 0.00 H new ATOM 943 N GLY A 59 6.840 -12.855 11.134 1.00 0.00 N ATOM 944 CA GLY A 59 5.587 -12.272 11.578 1.00 0.00 C ATOM 945 C GLY A 59 4.790 -11.662 10.442 1.00 0.00 C ATOM 946 O GLY A 59 5.134 -11.828 9.271 1.00 0.00 O ATOM 0 H GLY A 59 7.612 -12.194 11.043 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.987 -13.040 12.066 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.792 -11.505 12.325 1.00 0.00 H new ATOM 950 N GLU A 60 3.723 -10.948 10.788 1.00 0.00 N ATOM 951 CA GLU A 60 2.875 -10.305 9.791 1.00 0.00 C ATOM 952 C GLU A 60 2.414 -8.932 10.274 1.00 0.00 C ATOM 953 O GLU A 60 2.055 -8.764 11.439 1.00 0.00 O ATOM 954 CB GLU A 60 1.660 -11.180 9.481 1.00 0.00 C ATOM 955 CG GLU A 60 2.017 -12.522 8.864 1.00 0.00 C ATOM 956 CD GLU A 60 0.832 -13.465 8.793 1.00 0.00 C ATOM 957 OE1 GLU A 60 0.053 -13.513 9.768 1.00 0.00 O ATOM 958 OE2 GLU A 60 0.682 -14.154 7.762 1.00 0.00 O ATOM 0 H GLU A 60 3.425 -10.800 11.752 1.00 0.00 H new ATOM 0 HA GLU A 60 3.462 -10.175 8.882 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.101 -11.350 10.401 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.999 -10.642 8.802 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.411 -12.363 7.860 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.812 -12.986 9.448 1.00 0.00 H new ATOM 965 N ILE A 61 2.429 -7.952 9.376 1.00 0.00 N ATOM 966 CA ILE A 61 2.013 -6.596 9.721 1.00 0.00 C ATOM 967 C ILE A 61 0.596 -6.321 9.230 1.00 0.00 C ATOM 968 O ILE A 61 0.255 -6.630 8.086 1.00 0.00 O ATOM 969 CB ILE A 61 2.960 -5.540 9.119 1.00 0.00 C ATOM 970 CG1 ILE A 61 4.422 -5.924 9.359 1.00 0.00 C ATOM 971 CG2 ILE A 61 2.665 -4.169 9.708 1.00 0.00 C ATOM 972 CD1 ILE A 61 5.309 -5.698 8.155 1.00 0.00 C ATOM 0 H ILE A 61 2.724 -8.070 8.407 1.00 0.00 H new ATOM 0 HA ILE A 61 2.047 -6.524 10.808 1.00 0.00 H new ATOM 0 HB ILE A 61 2.791 -5.500 8.043 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.808 -5.346 10.199 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.471 -6.975 9.645 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.342 -3.433 9.274 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.635 -3.891 9.485 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.807 -4.199 10.788 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.331 -5.991 8.396 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.947 -6.297 7.319 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.289 -4.643 7.881 1.00 0.00 H new ATOM 984 N HIS A 62 -0.221 -5.728 10.094 1.00 0.00 N ATOM 985 CA HIS A 62 -1.598 -5.395 9.746 1.00 0.00 C ATOM 986 C HIS A 62 -1.937 -3.975 10.191 1.00 0.00 C ATOM 987 O HIS A 62 -2.010 -3.694 11.387 1.00 0.00 O ATOM 988 CB HIS A 62 -2.564 -6.391 10.391 1.00 0.00 C ATOM 989 CG HIS A 62 -3.936 -6.371 9.791 1.00 0.00 C ATOM 990 ND1 HIS A 62 -4.904 -7.304 10.097 1.00 0.00 N ATOM 991 CD2 HIS A 62 -4.502 -5.522 8.901 1.00 0.00 C ATOM 992 CE1 HIS A 62 -6.005 -7.031 9.419 1.00 0.00 C ATOM 993 NE2 HIS A 62 -5.788 -5.955 8.687 1.00 0.00 N ATOM 0 H HIS A 62 0.047 -5.467 11.043 1.00 0.00 H new ATOM 0 HA HIS A 62 -1.701 -5.453 8.662 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.151 -7.396 10.299 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.639 -6.173 11.456 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.030 -4.664 8.444 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -6.926 -7.593 9.458 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -6.465 -5.516 8.063 1.00 0.00 H new ATOM 1002 N ALA A 63 -2.145 -3.084 9.228 1.00 0.00 N ATOM 1003 CA ALA A 63 -2.474 -1.697 9.536 1.00 0.00 C ATOM 1004 C ALA A 63 -3.594 -1.186 8.636 1.00 0.00 C ATOM 1005 O ALA A 63 -3.918 -1.803 7.623 1.00 0.00 O ATOM 1006 CB ALA A 63 -1.240 -0.819 9.403 1.00 0.00 C ATOM 0 H ALA A 63 -2.092 -3.296 8.232 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.825 -1.652 10.567 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.501 0.213 9.636 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.472 -1.164 10.095 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.861 -0.876 8.383 1.00 0.00 H new ATOM 1012 N SER A 64 -4.178 -0.052 9.011 1.00 0.00 N ATOM 1013 CA SER A 64 -5.258 0.546 8.235 1.00 0.00 C ATOM 1014 C SER A 64 -5.117 2.064 8.197 1.00 0.00 C ATOM 1015 O SER A 64 -4.538 2.665 9.101 1.00 0.00 O ATOM 1016 CB SER A 64 -6.615 0.161 8.826 1.00 0.00 C ATOM 1017 OG SER A 64 -6.554 0.086 10.239 1.00 0.00 O ATOM 0 H SER A 64 -3.921 0.471 9.848 1.00 0.00 H new ATOM 0 HA SER A 64 -5.196 0.165 7.215 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.365 0.894 8.530 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.932 -0.800 8.421 1.00 0.00 H new ATOM 0 HG SER A 64 -7.435 -0.160 10.592 1.00 0.00 H new ATOM 1023 N ALA A 65 -5.649 2.681 7.147 1.00 0.00 N ATOM 1024 CA ALA A 65 -5.579 4.129 6.999 1.00 0.00 C ATOM 1025 C ALA A 65 -6.864 4.690 6.401 1.00 0.00 C ATOM 1026 O ALA A 65 -7.610 3.981 5.725 1.00 0.00 O ATOM 1027 CB ALA A 65 -4.385 4.513 6.141 1.00 0.00 C ATOM 0 H ALA A 65 -6.132 2.201 6.388 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.457 4.562 7.992 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.344 5.597 6.038 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.469 4.159 6.613 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.484 4.059 5.155 1.00 0.00 H new ATOM 1033 N GLU A 66 -7.113 5.970 6.652 1.00 0.00 N ATOM 1034 CA GLU A 66 -8.304 6.636 6.140 1.00 0.00 C ATOM 1035 C GLU A 66 -7.933 7.957 5.473 1.00 0.00 C ATOM 1036 O GLU A 66 -6.883 8.532 5.758 1.00 0.00 O ATOM 1037 CB GLU A 66 -9.303 6.883 7.271 1.00 0.00 C ATOM 1038 CG GLU A 66 -10.288 5.743 7.473 1.00 0.00 C ATOM 1039 CD GLU A 66 -10.573 5.472 8.937 1.00 0.00 C ATOM 1040 OE1 GLU A 66 -10.583 6.439 9.728 1.00 0.00 O ATOM 1041 OE2 GLU A 66 -10.787 4.295 9.292 1.00 0.00 O ATOM 0 H GLU A 66 -6.503 6.569 7.209 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.767 5.987 5.396 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.755 7.047 8.199 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.857 7.798 7.062 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.222 5.980 6.963 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.892 4.839 7.010 1.00 0.00 H new ATOM 1048 N GLY A 67 -8.798 8.433 4.584 1.00 0.00 N ATOM 1049 CA GLY A 67 -8.534 9.682 3.896 1.00 0.00 C ATOM 1050 C GLY A 67 -9.779 10.287 3.281 1.00 0.00 C ATOM 1051 O GLY A 67 -10.844 9.669 3.276 1.00 0.00 O ATOM 0 H GLY A 67 -9.674 7.978 4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.098 10.393 4.598 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.794 9.512 3.114 1.00 0.00 H new ATOM 1055 N GLN A 68 -9.643 11.505 2.765 1.00 0.00 N ATOM 1056 CA GLN A 68 -10.759 12.211 2.145 1.00 0.00 C ATOM 1057 C GLN A 68 -11.280 11.470 0.911 1.00 0.00 C ATOM 1058 O GLN A 68 -12.358 11.785 0.405 1.00 0.00 O ATOM 1059 CB GLN A 68 -10.330 13.627 1.759 1.00 0.00 C ATOM 1060 CG GLN A 68 -11.447 14.461 1.153 1.00 0.00 C ATOM 1061 CD GLN A 68 -12.564 14.746 2.139 1.00 0.00 C ATOM 1062 OE1 GLN A 68 -13.212 13.828 2.642 1.00 0.00 O ATOM 1063 NE2 GLN A 68 -12.792 16.022 2.423 1.00 0.00 N ATOM 0 H GLN A 68 -8.766 12.026 2.764 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.569 12.259 2.873 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.949 14.135 2.644 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.507 13.566 1.047 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.036 15.404 0.792 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.856 13.940 0.287 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.230 16.751 1.983 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.529 16.274 3.082 1.00 0.00 H new ATOM 1072 N ASP A 69 -10.524 10.485 0.434 1.00 0.00 N ATOM 1073 CA ASP A 69 -10.928 9.712 -0.735 1.00 0.00 C ATOM 1074 C ASP A 69 -10.222 8.359 -0.753 1.00 0.00 C ATOM 1075 O ASP A 69 -9.383 8.078 0.103 1.00 0.00 O ATOM 1076 CB ASP A 69 -10.614 10.484 -2.018 1.00 0.00 C ATOM 1077 CG ASP A 69 -9.140 10.810 -2.148 1.00 0.00 C ATOM 1078 OD1 ASP A 69 -8.700 11.816 -1.553 1.00 0.00 O ATOM 1079 OD2 ASP A 69 -8.426 10.061 -2.846 1.00 0.00 O ATOM 0 H ASP A 69 -9.631 10.204 0.838 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.003 9.543 -0.679 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.931 9.896 -2.880 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.191 11.409 -2.033 1.00 0.00 H new ATOM 1084 N MET A 70 -10.565 7.526 -1.728 1.00 0.00 N ATOM 1085 CA MET A 70 -9.957 6.204 -1.847 1.00 0.00 C ATOM 1086 C MET A 70 -8.445 6.316 -2.020 1.00 0.00 C ATOM 1087 O MET A 70 -7.678 5.692 -1.286 1.00 0.00 O ATOM 1088 CB MET A 70 -10.563 5.440 -3.026 1.00 0.00 C ATOM 1089 CG MET A 70 -10.214 3.960 -3.029 1.00 0.00 C ATOM 1090 SD MET A 70 -11.670 2.900 -2.964 1.00 0.00 S ATOM 1091 CE MET A 70 -11.339 1.790 -4.330 1.00 0.00 C ATOM 0 H MET A 70 -11.258 7.740 -2.445 1.00 0.00 H new ATOM 0 HA MET A 70 -10.161 5.655 -0.928 1.00 0.00 H new ATOM 0 HB2 MET A 70 -11.647 5.550 -3.002 1.00 0.00 H new ATOM 0 HB3 MET A 70 -10.217 5.889 -3.957 1.00 0.00 H new ATOM 0 HG2 MET A 70 -9.641 3.728 -3.927 1.00 0.00 H new ATOM 0 HG3 MET A 70 -9.572 3.741 -2.176 1.00 0.00 H new ATOM 0 HE1 MET A 70 -11.996 0.923 -4.261 1.00 0.00 H new ATOM 0 HE2 MET A 70 -11.519 2.308 -5.272 1.00 0.00 H new ATOM 0 HE3 MET A 70 -10.300 1.463 -4.289 1.00 0.00 H new ATOM 1101 N TYR A 71 -8.023 7.117 -2.995 1.00 0.00 N ATOM 1102 CA TYR A 71 -6.601 7.313 -3.265 1.00 0.00 C ATOM 1103 C TYR A 71 -5.872 7.796 -2.013 1.00 0.00 C ATOM 1104 O TYR A 71 -4.767 7.341 -1.712 1.00 0.00 O ATOM 1105 CB TYR A 71 -6.411 8.321 -4.401 1.00 0.00 C ATOM 1106 CG TYR A 71 -6.175 7.677 -5.750 1.00 0.00 C ATOM 1107 CD1 TYR A 71 -6.986 6.642 -6.199 1.00 0.00 C ATOM 1108 CD2 TYR A 71 -5.140 8.104 -6.572 1.00 0.00 C ATOM 1109 CE1 TYR A 71 -6.772 6.051 -7.429 1.00 0.00 C ATOM 1110 CE2 TYR A 71 -4.920 7.518 -7.805 1.00 0.00 C ATOM 1111 CZ TYR A 71 -5.739 6.492 -8.229 1.00 0.00 C ATOM 1112 OH TYR A 71 -5.523 5.908 -9.455 1.00 0.00 O ATOM 0 H TYR A 71 -8.645 7.641 -3.611 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.177 6.355 -3.564 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.293 8.958 -4.461 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.566 8.968 -4.164 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.797 6.294 -5.576 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.497 8.907 -6.243 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -7.411 5.247 -7.763 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.111 7.862 -8.433 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.757 6.337 -9.891 1.00 0.00 H new ATOM 1122 N ALA A 72 -6.499 8.717 -1.288 1.00 0.00 N ATOM 1123 CA ALA A 72 -5.910 9.255 -0.068 1.00 0.00 C ATOM 1124 C ALA A 72 -5.654 8.146 0.945 1.00 0.00 C ATOM 1125 O ALA A 72 -4.553 8.025 1.482 1.00 0.00 O ATOM 1126 CB ALA A 72 -6.817 10.324 0.525 1.00 0.00 C ATOM 0 H ALA A 72 -7.412 9.105 -1.524 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.952 9.710 -0.319 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.367 10.719 1.436 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.946 11.132 -0.195 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.788 9.888 0.760 1.00 0.00 H new ATOM 1132 N ALA A 73 -6.679 7.337 1.198 1.00 0.00 N ATOM 1133 CA ALA A 73 -6.570 6.232 2.145 1.00 0.00 C ATOM 1134 C ALA A 73 -5.333 5.382 1.863 1.00 0.00 C ATOM 1135 O ALA A 73 -4.736 4.813 2.775 1.00 0.00 O ATOM 1136 CB ALA A 73 -7.824 5.373 2.095 1.00 0.00 C ATOM 0 H ALA A 73 -7.596 7.426 0.760 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.467 6.653 3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.731 4.552 2.806 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.692 5.980 2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.949 4.970 1.090 1.00 0.00 H new ATOM 1142 N ILE A 74 -4.951 5.310 0.592 1.00 0.00 N ATOM 1143 CA ILE A 74 -3.781 4.538 0.190 1.00 0.00 C ATOM 1144 C ILE A 74 -2.498 5.266 0.573 1.00 0.00 C ATOM 1145 O ILE A 74 -1.519 4.643 0.987 1.00 0.00 O ATOM 1146 CB ILE A 74 -3.775 4.269 -1.328 1.00 0.00 C ATOM 1147 CG1 ILE A 74 -5.109 3.662 -1.768 1.00 0.00 C ATOM 1148 CG2 ILE A 74 -2.622 3.347 -1.699 1.00 0.00 C ATOM 1149 CD1 ILE A 74 -5.417 2.337 -1.106 1.00 0.00 C ATOM 0 H ILE A 74 -5.434 5.776 -0.176 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.831 3.584 0.715 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.640 5.218 -1.848 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.911 4.366 -1.544 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.098 3.525 -2.849 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.632 3.167 -2.774 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.678 3.814 -1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.730 2.399 -1.171 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.377 1.966 -1.465 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.635 1.618 -1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.461 2.472 -0.025 1.00 0.00 H new ATOM 1161 N ASP A 75 -2.512 6.588 0.436 1.00 0.00 N ATOM 1162 CA ASP A 75 -1.351 7.406 0.771 1.00 0.00 C ATOM 1163 C ASP A 75 -0.924 7.176 2.218 1.00 0.00 C ATOM 1164 O ASP A 75 0.218 6.803 2.489 1.00 0.00 O ATOM 1165 CB ASP A 75 -1.660 8.887 0.545 1.00 0.00 C ATOM 1166 CG ASP A 75 -0.476 9.646 -0.022 1.00 0.00 C ATOM 1167 OD1 ASP A 75 0.654 9.428 0.462 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -0.680 10.456 -0.950 1.00 0.00 O ATOM 0 H ASP A 75 -3.315 7.116 0.095 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.529 7.112 0.118 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.506 8.979 -0.136 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.960 9.341 1.490 1.00 0.00 H new ATOM 1173 N GLY A 76 -1.853 7.396 3.144 1.00 0.00 N ATOM 1174 CA GLY A 76 -1.554 7.201 4.551 1.00 0.00 C ATOM 1175 C GLY A 76 -1.335 5.741 4.893 1.00 0.00 C ATOM 1176 O GLY A 76 -0.594 5.417 5.822 1.00 0.00 O ATOM 0 H GLY A 76 -2.805 7.705 2.946 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.663 7.771 4.814 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.373 7.594 5.153 1.00 0.00 H new ATOM 1180 N LEU A 77 -1.980 4.860 4.138 1.00 0.00 N ATOM 1181 CA LEU A 77 -1.855 3.423 4.356 1.00 0.00 C ATOM 1182 C LEU A 77 -0.442 2.950 4.029 1.00 0.00 C ATOM 1183 O LEU A 77 0.148 2.156 4.763 1.00 0.00 O ATOM 1184 CB LEU A 77 -2.879 2.674 3.496 1.00 0.00 C ATOM 1185 CG LEU A 77 -2.775 1.148 3.528 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -2.621 0.649 4.957 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -3.994 0.519 2.867 1.00 0.00 C ATOM 0 H LEU A 77 -2.597 5.116 3.367 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.051 3.211 5.407 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.879 2.960 3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.773 3.006 2.463 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.888 0.852 2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.549 -0.439 4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.717 1.073 5.395 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.487 0.955 5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.905 -0.567 2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.895 0.824 3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.056 0.849 1.830 1.00 0.00 H new ATOM 1199 N ILE A 78 0.099 3.456 2.928 1.00 0.00 N ATOM 1200 CA ILE A 78 1.447 3.101 2.503 1.00 0.00 C ATOM 1201 C ILE A 78 2.494 3.886 3.293 1.00 0.00 C ATOM 1202 O ILE A 78 3.671 3.523 3.314 1.00 0.00 O ATOM 1203 CB ILE A 78 1.643 3.360 0.994 1.00 0.00 C ATOM 1204 CG1 ILE A 78 0.680 2.493 0.182 1.00 0.00 C ATOM 1205 CG2 ILE A 78 3.082 3.085 0.582 1.00 0.00 C ATOM 1206 CD1 ILE A 78 0.831 1.013 0.454 1.00 0.00 C ATOM 0 H ILE A 78 -0.377 4.115 2.312 1.00 0.00 H new ATOM 0 HA ILE A 78 1.577 2.036 2.698 1.00 0.00 H new ATOM 0 HB ILE A 78 1.427 4.409 0.792 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.344 2.793 0.405 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.843 2.678 -0.880 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.197 3.274 -0.485 1.00 0.00 H new ATOM 0 HG22 ILE A 78 3.752 3.739 1.141 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.329 2.045 0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.118 0.457 -0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.844 0.699 0.204 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.639 0.815 1.509 1.00 0.00 H new ATOM 1218 N ASP A 79 2.055 4.956 3.949 1.00 0.00 N ATOM 1219 CA ASP A 79 2.953 5.781 4.745 1.00 0.00 C ATOM 1220 C ASP A 79 3.294 5.086 6.059 1.00 0.00 C ATOM 1221 O ASP A 79 4.458 4.798 6.337 1.00 0.00 O ATOM 1222 CB ASP A 79 2.319 7.145 5.022 1.00 0.00 C ATOM 1223 CG ASP A 79 3.332 8.272 4.978 1.00 0.00 C ATOM 1224 OD1 ASP A 79 3.889 8.528 3.889 1.00 0.00 O ATOM 1225 OD2 ASP A 79 3.568 8.900 6.031 1.00 0.00 O ATOM 0 H ASP A 79 1.085 5.270 3.944 1.00 0.00 H new ATOM 0 HA ASP A 79 3.873 5.930 4.180 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.536 7.335 4.288 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.840 7.128 6.001 1.00 0.00 H new ATOM 1230 N LYS A 80 2.270 4.817 6.861 1.00 0.00 N ATOM 1231 CA LYS A 80 2.460 4.152 8.143 1.00 0.00 C ATOM 1232 C LYS A 80 2.995 2.738 7.942 1.00 0.00 C ATOM 1233 O LYS A 80 3.773 2.237 8.754 1.00 0.00 O ATOM 1234 CB LYS A 80 1.142 4.105 8.920 1.00 0.00 C ATOM 1235 CG LYS A 80 0.451 5.453 9.033 1.00 0.00 C ATOM 1236 CD LYS A 80 -1.062 5.301 9.059 1.00 0.00 C ATOM 1237 CE LYS A 80 -1.758 6.573 8.598 1.00 0.00 C ATOM 1238 NZ LYS A 80 -1.840 7.587 9.686 1.00 0.00 N ATOM 0 H LYS A 80 1.300 5.049 6.646 1.00 0.00 H new ATOM 0 HA LYS A 80 3.190 4.723 8.717 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.468 3.401 8.432 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.334 3.720 9.922 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.783 5.959 9.940 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.740 6.083 8.192 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.356 4.471 8.417 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.387 5.053 10.070 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.219 6.994 7.749 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.762 6.332 8.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.321 8.438 9.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.376 7.195 10.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.881 7.837 10.001 1.00 0.00 H new ATOM 1252 N LEU A 81 2.570 2.098 6.857 1.00 0.00 N ATOM 1253 CA LEU A 81 3.006 0.741 6.552 1.00 0.00 C ATOM 1254 C LEU A 81 4.522 0.672 6.382 1.00 0.00 C ATOM 1255 O LEU A 81 5.181 -0.176 6.983 1.00 0.00 O ATOM 1256 CB LEU A 81 2.305 0.227 5.290 1.00 0.00 C ATOM 1257 CG LEU A 81 0.923 -0.402 5.512 1.00 0.00 C ATOM 1258 CD1 LEU A 81 1.034 -1.917 5.590 1.00 0.00 C ATOM 1259 CD2 LEU A 81 0.265 0.148 6.771 1.00 0.00 C ATOM 0 H LEU A 81 1.925 2.497 6.175 1.00 0.00 H new ATOM 0 HA LEU A 81 2.732 0.103 7.393 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.199 1.056 4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.949 -0.512 4.813 1.00 0.00 H new ATOM 0 HG LEU A 81 0.294 -0.141 4.661 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.045 -2.347 5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.452 -2.300 4.659 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.685 -2.192 6.420 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.713 -0.316 6.903 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.891 -0.074 7.635 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.145 1.227 6.677 1.00 0.00 H new ATOM 1271 N ALA A 82 5.076 1.569 5.571 1.00 0.00 N ATOM 1272 CA ALA A 82 6.518 1.590 5.348 1.00 0.00 C ATOM 1273 C ALA A 82 7.263 1.817 6.660 1.00 0.00 C ATOM 1274 O ALA A 82 8.179 1.069 7.001 1.00 0.00 O ATOM 1275 CB ALA A 82 6.893 2.656 4.327 1.00 0.00 C ATOM 0 H ALA A 82 4.555 2.283 5.062 1.00 0.00 H new ATOM 0 HA ALA A 82 6.813 0.619 4.950 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.973 2.653 4.177 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.395 2.445 3.381 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.580 3.635 4.691 1.00 0.00 H new ATOM 1281 N ARG A 83 6.861 2.852 7.396 1.00 0.00 N ATOM 1282 CA ARG A 83 7.488 3.176 8.674 1.00 0.00 C ATOM 1283 C ARG A 83 7.578 1.942 9.570 1.00 0.00 C ATOM 1284 O ARG A 83 8.603 1.700 10.211 1.00 0.00 O ATOM 1285 CB ARG A 83 6.702 4.278 9.389 1.00 0.00 C ATOM 1286 CG ARG A 83 6.464 5.511 8.532 1.00 0.00 C ATOM 1287 CD ARG A 83 7.325 6.680 8.983 1.00 0.00 C ATOM 1288 NE ARG A 83 6.720 7.966 8.649 1.00 0.00 N ATOM 1289 CZ ARG A 83 5.726 8.519 9.340 1.00 0.00 C ATOM 1290 NH1 ARG A 83 5.222 7.900 10.401 1.00 0.00 N ATOM 1291 NH2 ARG A 83 5.232 9.693 8.970 1.00 0.00 N ATOM 0 H ARG A 83 6.103 3.480 7.128 1.00 0.00 H new ATOM 0 HA ARG A 83 8.499 3.530 8.470 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.740 3.877 9.709 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.241 4.571 10.290 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.682 5.278 7.490 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.412 5.792 8.582 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.480 6.621 10.060 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.307 6.609 8.515 1.00 0.00 H new ATOM 0 HE ARG A 83 7.080 8.470 7.839 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.597 6.996 10.690 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.460 8.328 10.927 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.614 10.173 8.155 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.470 10.116 9.500 1.00 0.00 H new ATOM 1305 N GLN A 84 6.507 1.155 9.600 1.00 0.00 N ATOM 1306 CA GLN A 84 6.476 -0.058 10.405 1.00 0.00 C ATOM 1307 C GLN A 84 7.395 -1.111 9.798 1.00 0.00 C ATOM 1308 O GLN A 84 8.084 -1.841 10.511 1.00 0.00 O ATOM 1309 CB GLN A 84 5.048 -0.598 10.505 1.00 0.00 C ATOM 1310 CG GLN A 84 4.085 0.352 11.196 1.00 0.00 C ATOM 1311 CD GLN A 84 4.203 0.306 12.706 1.00 0.00 C ATOM 1312 OE1 GLN A 84 3.963 -0.728 13.329 1.00 0.00 O ATOM 1313 NE2 GLN A 84 4.577 1.431 13.305 1.00 0.00 N ATOM 0 H GLN A 84 5.651 1.336 9.076 1.00 0.00 H new ATOM 0 HA GLN A 84 6.826 0.181 11.409 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.678 -0.811 9.502 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.063 -1.544 11.047 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.274 1.369 10.851 1.00 0.00 H new ATOM 0 HG3 GLN A 84 3.064 0.102 10.907 1.00 0.00 H new ATOM 0 HE21 GLN A 84 4.766 2.266 12.750 1.00 0.00 H new ATOM 0 HE22 GLN A 84 4.675 1.460 14.320 1.00 0.00 H new ATOM 1322 N LEU A 85 7.407 -1.168 8.470 1.00 0.00 N ATOM 1323 CA LEU A 85 8.250 -2.114 7.751 1.00 0.00 C ATOM 1324 C LEU A 85 9.718 -1.907 8.108 1.00 0.00 C ATOM 1325 O LEU A 85 10.456 -2.866 8.321 1.00 0.00 O ATOM 1326 CB LEU A 85 8.051 -1.959 6.237 1.00 0.00 C ATOM 1327 CG LEU A 85 6.924 -2.791 5.607 1.00 0.00 C ATOM 1328 CD1 LEU A 85 7.409 -4.203 5.317 1.00 0.00 C ATOM 1329 CD2 LEU A 85 5.678 -2.821 6.489 1.00 0.00 C ATOM 0 H LEU A 85 6.841 -0.568 7.870 1.00 0.00 H new ATOM 0 HA LEU A 85 7.960 -3.123 8.046 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.859 -0.907 6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.986 -2.220 5.741 1.00 0.00 H new ATOM 0 HG LEU A 85 6.645 -2.312 4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.600 -4.781 4.871 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.251 -4.164 4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.724 -4.677 6.246 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.905 -3.420 6.007 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.927 -3.260 7.455 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.311 -1.805 6.635 1.00 0.00 H new ATOM 1341 N THR A 86 10.130 -0.644 8.172 1.00 0.00 N ATOM 1342 CA THR A 86 11.509 -0.302 8.504 1.00 0.00 C ATOM 1343 C THR A 86 11.857 -0.729 9.927 1.00 0.00 C ATOM 1344 O THR A 86 12.946 -1.243 10.182 1.00 0.00 O ATOM 1345 CB THR A 86 11.738 1.204 8.339 1.00 0.00 C ATOM 1346 OG1 THR A 86 10.504 1.902 8.311 1.00 0.00 O ATOM 1347 CG2 THR A 86 12.499 1.558 7.079 1.00 0.00 C ATOM 0 H THR A 86 9.527 0.160 7.998 1.00 0.00 H new ATOM 0 HA THR A 86 12.162 -0.841 7.817 1.00 0.00 H new ATOM 0 HB THR A 86 12.336 1.501 9.200 1.00 0.00 H new ATOM 0 HG1 THR A 86 10.020 1.744 9.148 1.00 0.00 H new ATOM 0 HG21 THR A 86 12.627 2.639 7.023 1.00 0.00 H new ATOM 0 HG22 THR A 86 13.477 1.077 7.097 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.941 1.213 6.208 1.00 0.00 H new ATOM 1355 N LYS A 87 10.927 -0.511 10.850 1.00 0.00 N ATOM 1356 CA LYS A 87 11.136 -0.872 12.248 1.00 0.00 C ATOM 1357 C LYS A 87 11.556 -2.334 12.385 1.00 0.00 C ATOM 1358 O LYS A 87 12.605 -2.639 12.955 1.00 0.00 O ATOM 1359 CB LYS A 87 9.863 -0.613 13.058 1.00 0.00 C ATOM 1360 CG LYS A 87 10.028 0.458 14.124 1.00 0.00 C ATOM 1361 CD LYS A 87 9.454 1.794 13.669 1.00 0.00 C ATOM 1362 CE LYS A 87 8.492 2.368 14.697 1.00 0.00 C ATOM 1363 NZ LYS A 87 7.242 1.566 14.796 1.00 0.00 N ATOM 0 H LYS A 87 10.020 -0.086 10.656 1.00 0.00 H new ATOM 0 HA LYS A 87 11.941 -0.250 12.639 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.064 -0.317 12.378 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.550 -1.542 13.534 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.530 0.140 15.040 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.085 0.577 14.361 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.266 2.500 13.496 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.937 1.664 12.718 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.980 2.402 15.671 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.244 3.395 14.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.452 2.186 15.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.037 1.127 13.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.362 0.824 15.514 1.00 0.00 H new ATOM 1377 N HIS A 88 10.726 -3.234 11.870 1.00 0.00 N ATOM 1378 CA HIS A 88 11.008 -4.664 11.945 1.00 0.00 C ATOM 1379 C HIS A 88 12.110 -5.071 10.966 1.00 0.00 C ATOM 1380 O HIS A 88 12.796 -6.073 11.174 1.00 0.00 O ATOM 1381 CB HIS A 88 9.731 -5.475 11.685 1.00 0.00 C ATOM 1382 CG HIS A 88 9.442 -5.719 10.233 1.00 0.00 C ATOM 1383 ND1 HIS A 88 8.388 -5.133 9.564 1.00 0.00 N ATOM 1384 CD2 HIS A 88 10.075 -6.497 9.323 1.00 0.00 C ATOM 1385 CE1 HIS A 88 8.386 -5.540 8.308 1.00 0.00 C ATOM 1386 NE2 HIS A 88 9.399 -6.369 8.136 1.00 0.00 N ATOM 0 H HIS A 88 9.853 -3.000 11.397 1.00 0.00 H new ATOM 0 HA HIS A 88 11.364 -4.881 12.952 1.00 0.00 H new ATOM 0 HB2 HIS A 88 9.814 -6.435 12.194 1.00 0.00 H new ATOM 0 HB3 HIS A 88 8.885 -4.951 12.129 1.00 0.00 H new ATOM 0 HD1 HIS A 88 7.715 -4.486 9.975 1.00 0.00 H new ATOM 0 HD2 HIS A 88 10.950 -7.105 9.499 1.00 0.00 H new ATOM 0 HE1 HIS A 88 7.676 -5.245 7.550 1.00 0.00 H new ATOM 1395 N LYS A 89 12.271 -4.297 9.896 1.00 0.00 N ATOM 1396 CA LYS A 89 13.285 -4.593 8.887 1.00 0.00 C ATOM 1397 C LYS A 89 14.694 -4.362 9.426 1.00 0.00 C ATOM 1398 O LYS A 89 15.665 -4.885 8.878 1.00 0.00 O ATOM 1399 CB LYS A 89 13.063 -3.744 7.636 1.00 0.00 C ATOM 1400 CG LYS A 89 14.019 -4.077 6.500 1.00 0.00 C ATOM 1401 CD LYS A 89 15.062 -2.988 6.308 1.00 0.00 C ATOM 1402 CE LYS A 89 15.468 -2.858 4.849 1.00 0.00 C ATOM 1403 NZ LYS A 89 16.758 -3.546 4.565 1.00 0.00 N ATOM 0 H LYS A 89 11.715 -3.463 9.705 1.00 0.00 H new ATOM 0 HA LYS A 89 13.188 -5.647 8.626 1.00 0.00 H new ATOM 0 HB2 LYS A 89 12.038 -3.881 7.290 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.173 -2.691 7.896 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.516 -5.025 6.708 1.00 0.00 H new ATOM 0 HG3 LYS A 89 13.455 -4.209 5.576 1.00 0.00 H new ATOM 0 HD2 LYS A 89 14.666 -2.037 6.663 1.00 0.00 H new ATOM 0 HD3 LYS A 89 15.940 -3.213 6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 89 14.686 -3.278 4.216 1.00 0.00 H new ATOM 0 HE3 LYS A 89 15.555 -1.803 4.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 16.998 -3.433 3.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 17.510 -3.128 5.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 16.668 -4.558 4.788 1.00 0.00 H new ATOM 1417 N ASP A 90 14.809 -3.587 10.500 1.00 0.00 N ATOM 1418 CA ASP A 90 16.110 -3.311 11.098 1.00 0.00 C ATOM 1419 C ASP A 90 16.726 -4.593 11.648 1.00 0.00 C ATOM 1420 O ASP A 90 17.947 -4.751 11.668 1.00 0.00 O ATOM 1421 CB ASP A 90 15.975 -2.272 12.212 1.00 0.00 C ATOM 1422 CG ASP A 90 17.276 -1.541 12.480 1.00 0.00 C ATOM 1423 OD1 ASP A 90 17.825 -0.940 11.533 1.00 0.00 O ATOM 1424 OD2 ASP A 90 17.746 -1.570 13.636 1.00 0.00 O ATOM 0 H ASP A 90 14.022 -3.141 10.972 1.00 0.00 H new ATOM 0 HA ASP A 90 16.766 -2.912 10.325 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.205 -1.550 11.941 1.00 0.00 H new ATOM 0 HB3 ASP A 90 15.643 -2.764 13.126 1.00 0.00 H new