USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 735 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 57 ASN : amide:sc= -0.375 X(o=-0.56,f=-0.76) USER MOD Set 1.2: A 63 THR OG1 : rot 180:sc= -0.188 USER MOD Set 2.1: A 10 SER OG : rot 180:sc= -0.0583 USER MOD Set 2.2: A 11 GLN : amide:sc= -0.192 K(o=-0.25,f=0.69) USER MOD Single : A 1 ARG N :NH3+ 137:sc= 0.0394 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.881 X(o=-0.88,f=-0.51) USER MOD Single : A 15 SER OG : rot 92:sc= 1.23 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 132:sc= -5.41! (180deg=-10.3!) USER MOD Single : A 25 GLN : amide:sc= -0.448 X(o=-0.45,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 153:sc= 0.0843 (180deg=-0.252) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0456 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.0497 X(o=-0.05,f=-0.05) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc=-0.00335 X(o=-0.0033,f=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 38:sc= 1.23 USER MOD Single : A 62 SER OG : rot -163:sc= -0.578! USER MOD Single : A 65 THR OG1 : rot 89:sc= 1.27 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.884 K(o=-0.88,f=-0.18) USER MOD Single : A 77 TYR OH : rot -56:sc= -0.419 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 74:sc= 1.2 USER MOD Single : A 88 GLN : amide:sc= -1.26 K(o=-1.3,f=-0.41) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.0395 X(o=-0.039,f=-0.18) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -2.24 K(o=-2.2,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -22.410 6.842 2.744 1.00 0.00 N ATOM 2 CA ARG A 1 -21.706 5.618 2.284 1.00 0.00 C ATOM 3 C ARG A 1 -20.708 5.126 3.337 1.00 0.00 C ATOM 4 O ARG A 1 -20.429 5.826 4.312 1.00 0.00 O ATOM 5 CB ARG A 1 -20.991 5.938 0.958 1.00 0.00 C ATOM 6 CG ARG A 1 -21.715 5.402 -0.272 1.00 0.00 C ATOM 7 CD ARG A 1 -21.650 3.879 -0.358 1.00 0.00 C ATOM 8 NE ARG A 1 -22.857 3.239 0.180 1.00 0.00 N ATOM 9 CZ ARG A 1 -23.063 1.914 0.230 1.00 0.00 C ATOM 10 NH1 ARG A 1 -22.152 1.050 -0.222 1.00 0.00 N ATOM 11 NH2 ARG A 1 -24.197 1.448 0.736 1.00 0.00 N ATOM 0 H1 ARG A 1 -22.467 7.525 1.962 1.00 0.00 H new ATOM 0 H2 ARG A 1 -23.370 6.593 3.057 1.00 0.00 H new ATOM 0 H3 ARG A 1 -21.887 7.266 3.536 1.00 0.00 H new ATOM 0 HA ARG A 1 -22.429 4.817 2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -20.885 7.019 0.864 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -19.985 5.520 0.988 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -22.758 5.719 -0.245 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -21.273 5.835 -1.170 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -21.516 3.581 -1.398 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -20.778 3.523 0.190 1.00 0.00 H new ATOM 0 HE ARG A 1 -23.593 3.846 0.542 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -21.276 1.392 -0.616 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -22.332 0.047 -0.173 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -24.905 2.095 1.083 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -24.362 0.442 0.778 1.00 0.00 H new ATOM 27 N VAL A 2 -20.175 3.917 3.127 1.00 0.00 N ATOM 28 CA VAL A 2 -19.201 3.314 4.049 1.00 0.00 C ATOM 29 C VAL A 2 -17.898 2.984 3.329 1.00 0.00 C ATOM 30 O VAL A 2 -17.889 2.191 2.386 1.00 0.00 O ATOM 31 CB VAL A 2 -19.739 2.022 4.718 1.00 0.00 C ATOM 32 CG1 VAL A 2 -20.653 2.366 5.883 1.00 0.00 C ATOM 33 CG2 VAL A 2 -20.461 1.126 3.714 1.00 0.00 C ATOM 0 H VAL A 2 -20.402 3.333 2.322 1.00 0.00 H new ATOM 0 HA VAL A 2 -19.021 4.057 4.826 1.00 0.00 H new ATOM 0 HB VAL A 2 -18.882 1.465 5.098 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -21.021 1.448 6.340 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -20.098 2.943 6.623 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -21.496 2.955 5.522 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -20.823 0.231 4.220 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -21.304 1.667 3.284 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -19.771 0.840 2.920 1.00 0.00 H new ATOM 43 N LEU A 3 -16.796 3.594 3.784 1.00 0.00 N ATOM 44 CA LEU A 3 -15.485 3.357 3.183 1.00 0.00 C ATOM 45 C LEU A 3 -14.364 3.945 4.046 1.00 0.00 C ATOM 46 O LEU A 3 -14.309 5.158 4.265 1.00 0.00 O ATOM 47 CB LEU A 3 -15.438 3.943 1.760 1.00 0.00 C ATOM 48 CG LEU A 3 -14.888 3.001 0.689 1.00 0.00 C ATOM 49 CD1 LEU A 3 -15.887 1.896 0.386 1.00 0.00 C ATOM 50 CD2 LEU A 3 -14.553 3.780 -0.571 1.00 0.00 C ATOM 0 H LEU A 3 -16.790 4.252 4.563 1.00 0.00 H new ATOM 0 HA LEU A 3 -15.328 2.280 3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -16.446 4.244 1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.828 4.846 1.776 1.00 0.00 H new ATOM 0 HG LEU A 3 -13.975 2.540 1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -15.478 1.235 -0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -16.083 1.324 1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -16.817 2.335 0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -14.162 3.099 -1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -15.453 4.264 -0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -13.803 4.537 -0.342 1.00 0.00 H new ATOM 62 N GLN A 4 -13.473 3.074 4.530 1.00 0.00 N ATOM 63 CA GLN A 4 -12.347 3.493 5.368 1.00 0.00 C ATOM 64 C GLN A 4 -11.062 2.794 4.932 1.00 0.00 C ATOM 65 O GLN A 4 -11.066 1.588 4.673 1.00 0.00 O ATOM 66 CB GLN A 4 -12.643 3.164 6.834 1.00 0.00 C ATOM 67 CG GLN A 4 -11.945 4.074 7.843 1.00 0.00 C ATOM 68 CD GLN A 4 -11.025 3.327 8.803 1.00 0.00 C ATOM 69 OE1 GLN A 4 -11.047 3.572 10.009 1.00 0.00 O ATOM 70 NE2 GLN A 4 -10.214 2.411 8.275 1.00 0.00 N ATOM 0 H GLN A 4 -13.511 2.070 4.354 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.212 4.569 5.256 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -13.719 3.222 6.996 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.347 2.133 7.028 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.364 4.822 7.304 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -12.699 4.610 8.419 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -10.226 2.238 7.270 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.581 1.883 8.876 1.00 0.00 H new ATOM 79 N VAL A 5 -9.963 3.553 4.863 1.00 0.00 N ATOM 80 CA VAL A 5 -8.664 2.999 4.468 1.00 0.00 C ATOM 81 C VAL A 5 -7.540 3.663 5.255 1.00 0.00 C ATOM 82 O VAL A 5 -7.587 4.867 5.517 1.00 0.00 O ATOM 83 CB VAL A 5 -8.368 3.171 2.956 1.00 0.00 C ATOM 84 CG1 VAL A 5 -7.245 2.237 2.533 1.00 0.00 C ATOM 85 CG2 VAL A 5 -9.605 2.926 2.099 1.00 0.00 C ATOM 0 H VAL A 5 -9.947 4.551 5.075 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.713 1.932 4.687 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.060 4.205 2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.046 2.366 1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.345 2.469 3.102 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.539 1.205 2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.351 3.057 1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -9.965 1.910 2.261 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.385 3.635 2.375 1.00 0.00 H new ATOM 95 N ASP A 6 -6.525 2.874 5.619 1.00 0.00 N ATOM 96 CA ASP A 6 -5.381 3.389 6.365 1.00 0.00 C ATOM 97 C ASP A 6 -4.169 2.496 6.147 1.00 0.00 C ATOM 98 O ASP A 6 -4.318 1.339 5.766 1.00 0.00 O ATOM 99 CB ASP A 6 -5.711 3.479 7.858 1.00 0.00 C ATOM 100 CG ASP A 6 -6.522 4.715 8.195 1.00 0.00 C ATOM 101 OD1 ASP A 6 -6.246 5.784 7.612 1.00 0.00 O ATOM 102 OD2 ASP A 6 -7.435 4.613 9.040 1.00 0.00 O ATOM 0 H ASP A 6 -6.475 1.877 5.408 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.151 4.390 6.001 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.265 2.590 8.159 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.785 3.487 8.433 1.00 0.00 H new ATOM 107 N ILE A 7 -2.969 3.036 6.384 1.00 0.00 N ATOM 108 CA ILE A 7 -1.729 2.280 6.211 1.00 0.00 C ATOM 109 C ILE A 7 -0.878 2.380 7.478 1.00 0.00 C ATOM 110 O ILE A 7 -0.787 3.448 8.086 1.00 0.00 O ATOM 111 CB ILE A 7 -0.928 2.775 4.981 1.00 0.00 C ATOM 112 CG1 ILE A 7 -1.828 2.803 3.737 1.00 0.00 C ATOM 113 CG2 ILE A 7 0.293 1.889 4.728 1.00 0.00 C ATOM 114 CD1 ILE A 7 -1.184 3.437 2.525 1.00 0.00 C ATOM 0 H ILE A 7 -2.832 3.997 6.697 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.990 1.237 6.034 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.578 3.786 5.189 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.119 1.782 3.489 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.743 3.346 3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.837 2.259 3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.945 1.911 5.601 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.032 0.865 4.543 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.884 3.418 1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.918 4.469 2.752 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.285 2.881 2.258 1.00 0.00 H new ATOM 126 N VAL A 8 -0.270 1.256 7.876 1.00 0.00 N ATOM 127 CA VAL A 8 0.564 1.202 9.079 1.00 0.00 C ATOM 128 C VAL A 8 1.968 0.668 8.732 1.00 0.00 C ATOM 129 O VAL A 8 2.077 -0.392 8.110 1.00 0.00 O ATOM 130 CB VAL A 8 -0.067 0.291 10.165 1.00 0.00 C ATOM 131 CG1 VAL A 8 0.693 0.400 11.484 1.00 0.00 C ATOM 132 CG2 VAL A 8 -1.541 0.628 10.377 1.00 0.00 C ATOM 0 H VAL A 8 -0.342 0.368 7.379 1.00 0.00 H new ATOM 0 HA VAL A 8 0.638 2.216 9.471 1.00 0.00 H new ATOM 0 HB VAL A 8 0.004 -0.737 9.810 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.228 -0.249 12.226 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.729 0.096 11.333 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.665 1.431 11.836 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.957 -0.026 11.143 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.635 1.666 10.696 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.085 0.485 9.443 1.00 0.00 H new ATOM 142 N PRO A 9 3.074 1.371 9.119 1.00 0.00 N ATOM 143 CA PRO A 9 3.053 2.646 9.865 1.00 0.00 C ATOM 144 C PRO A 9 2.782 3.846 8.957 1.00 0.00 C ATOM 145 O PRO A 9 2.738 3.704 7.734 1.00 0.00 O ATOM 146 CB PRO A 9 4.466 2.719 10.441 1.00 0.00 C ATOM 147 CG PRO A 9 5.308 2.048 9.415 1.00 0.00 C ATOM 148 CD PRO A 9 4.460 0.944 8.837 1.00 0.00 C ATOM 0 HA PRO A 9 2.262 2.678 10.614 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.779 3.751 10.601 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.531 2.213 11.404 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.613 2.751 8.640 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.219 1.648 9.859 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.632 0.828 7.767 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.684 -0.016 9.302 1.00 0.00 H new ATOM 156 N SER A 10 2.617 5.030 9.564 1.00 0.00 N ATOM 157 CA SER A 10 2.366 6.258 8.806 1.00 0.00 C ATOM 158 C SER A 10 3.622 6.659 8.034 1.00 0.00 C ATOM 159 O SER A 10 3.557 6.966 6.843 1.00 0.00 O ATOM 160 CB SER A 10 1.941 7.396 9.741 1.00 0.00 C ATOM 161 OG SER A 10 2.975 7.720 10.655 1.00 0.00 O ATOM 0 H SER A 10 2.653 5.160 10.575 1.00 0.00 H new ATOM 0 HA SER A 10 1.556 6.070 8.102 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.683 8.277 9.153 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.045 7.105 10.289 1.00 0.00 H new ATOM 0 HG SER A 10 2.679 8.450 11.239 1.00 0.00 H new ATOM 167 N GLN A 11 4.767 6.628 8.724 1.00 0.00 N ATOM 168 CA GLN A 11 6.059 6.960 8.126 1.00 0.00 C ATOM 169 C GLN A 11 7.068 5.865 8.463 1.00 0.00 C ATOM 170 O GLN A 11 7.572 5.803 9.587 1.00 0.00 O ATOM 171 CB GLN A 11 6.557 8.316 8.640 1.00 0.00 C ATOM 172 CG GLN A 11 6.646 8.409 10.164 1.00 0.00 C ATOM 173 CD GLN A 11 6.062 9.697 10.726 1.00 0.00 C ATOM 174 OE1 GLN A 11 6.705 10.388 11.516 1.00 0.00 O ATOM 175 NE2 GLN A 11 4.837 10.029 10.319 1.00 0.00 N ATOM 0 H GLN A 11 4.822 6.372 9.710 1.00 0.00 H new ATOM 0 HA GLN A 11 5.945 7.027 7.044 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.541 8.514 8.216 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.890 9.098 8.277 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.123 7.560 10.604 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.691 8.331 10.465 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.337 9.429 9.663 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.399 10.883 10.664 1.00 0.00 H new ATOM 184 N GLY A 12 7.331 4.984 7.490 1.00 0.00 N ATOM 185 CA GLY A 12 8.251 3.875 7.707 1.00 0.00 C ATOM 186 C GLY A 12 9.655 4.138 7.202 1.00 0.00 C ATOM 187 O GLY A 12 9.916 4.010 6.005 1.00 0.00 O ATOM 0 H GLY A 12 6.922 5.021 6.556 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.294 3.654 8.773 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.858 2.987 7.213 1.00 0.00 H new ATOM 191 N GLU A 13 10.571 4.467 8.122 1.00 0.00 N ATOM 192 CA GLU A 13 11.967 4.704 7.763 1.00 0.00 C ATOM 193 C GLU A 13 12.709 3.373 7.750 1.00 0.00 C ATOM 194 O GLU A 13 12.760 2.676 8.765 1.00 0.00 O ATOM 195 CB GLU A 13 12.631 5.675 8.742 1.00 0.00 C ATOM 196 CG GLU A 13 12.426 7.138 8.378 1.00 0.00 C ATOM 197 CD GLU A 13 11.069 7.667 8.800 1.00 0.00 C ATOM 198 OE1 GLU A 13 10.094 7.472 8.044 1.00 0.00 O ATOM 199 OE2 GLU A 13 10.982 8.280 9.885 1.00 0.00 O ATOM 0 H GLU A 13 10.367 4.574 9.116 1.00 0.00 H new ATOM 0 HA GLU A 13 12.006 5.157 6.772 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.234 5.498 9.742 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.700 5.465 8.781 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.206 7.737 8.848 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.538 7.258 7.300 1.00 0.00 H new ATOM 206 N ILE A 14 13.262 3.019 6.590 1.00 0.00 N ATOM 207 CA ILE A 14 13.980 1.758 6.422 1.00 0.00 C ATOM 208 C ILE A 14 15.283 2.002 5.647 1.00 0.00 C ATOM 209 O ILE A 14 15.474 3.082 5.093 1.00 0.00 O ATOM 210 CB ILE A 14 13.030 0.729 5.713 1.00 0.00 C ATOM 211 CG1 ILE A 14 11.864 0.356 6.669 1.00 0.00 C ATOM 212 CG2 ILE A 14 13.750 -0.535 5.224 1.00 0.00 C ATOM 213 CD1 ILE A 14 10.502 0.825 6.195 1.00 0.00 C ATOM 0 H ILE A 14 13.225 3.593 5.748 1.00 0.00 H new ATOM 0 HA ILE A 14 14.265 1.338 7.387 1.00 0.00 H new ATOM 0 HB ILE A 14 12.643 1.217 4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 14 11.841 -0.727 6.792 1.00 0.00 H new ATOM 0 HG13 ILE A 14 12.062 0.784 7.651 1.00 0.00 H new ATOM 0 HG21 ILE A 14 13.032 -1.200 4.745 1.00 0.00 H new ATOM 0 HG22 ILE A 14 14.523 -0.259 4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.207 -1.045 6.072 1.00 0.00 H new ATOM 0 HD11 ILE A 14 9.742 0.525 6.917 1.00 0.00 H new ATOM 0 HD12 ILE A 14 10.504 1.911 6.100 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.279 0.376 5.227 1.00 0.00 H new ATOM 225 N SER A 15 16.190 1.014 5.644 1.00 0.00 N ATOM 226 CA SER A 15 17.485 1.142 4.958 1.00 0.00 C ATOM 227 C SER A 15 17.628 0.135 3.810 1.00 0.00 C ATOM 228 O SER A 15 16.929 -0.888 3.755 1.00 0.00 O ATOM 229 CB SER A 15 18.657 0.973 5.949 1.00 0.00 C ATOM 230 OG SER A 15 18.203 0.741 7.275 1.00 0.00 O ATOM 0 H SER A 15 16.051 0.117 6.109 1.00 0.00 H new ATOM 0 HA SER A 15 17.518 2.146 4.535 1.00 0.00 H new ATOM 0 HB2 SER A 15 19.285 0.141 5.630 1.00 0.00 H new ATOM 0 HB3 SER A 15 19.280 1.867 5.930 1.00 0.00 H new ATOM 0 HG SER A 15 18.126 -0.224 7.430 1.00 0.00 H new ATOM 236 N VAL A 16 18.576 0.425 2.909 1.00 0.00 N ATOM 237 CA VAL A 16 18.854 -0.444 1.769 1.00 0.00 C ATOM 238 C VAL A 16 19.402 -1.781 2.258 1.00 0.00 C ATOM 239 O VAL A 16 20.215 -1.824 3.186 1.00 0.00 O ATOM 240 CB VAL A 16 19.848 0.216 0.772 1.00 0.00 C ATOM 241 CG1 VAL A 16 20.132 -0.691 -0.437 1.00 0.00 C ATOM 242 CG2 VAL A 16 19.314 1.573 0.320 1.00 0.00 C ATOM 0 H VAL A 16 19.162 1.259 2.952 1.00 0.00 H new ATOM 0 HA VAL A 16 17.918 -0.610 1.236 1.00 0.00 H new ATOM 0 HB VAL A 16 20.795 0.364 1.291 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.831 -0.193 -1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 16 20.566 -1.630 -0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 16 19.201 -0.894 -0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.018 2.027 -0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.350 1.439 -0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.192 2.223 1.186 1.00 0.00 H new ATOM 252 N GLY A 17 18.920 -2.865 1.650 1.00 0.00 N ATOM 253 CA GLY A 17 19.333 -4.194 2.052 1.00 0.00 C ATOM 254 C GLY A 17 18.334 -4.845 2.998 1.00 0.00 C ATOM 255 O GLY A 17 18.345 -6.069 3.151 1.00 0.00 O ATOM 0 H GLY A 17 18.248 -2.842 0.883 1.00 0.00 H new ATOM 0 HA2 GLY A 17 19.453 -4.819 1.167 1.00 0.00 H new ATOM 0 HA3 GLY A 17 20.307 -4.139 2.537 1.00 0.00 H new ATOM 259 N GLU A 18 17.452 -4.036 3.633 1.00 0.00 N ATOM 260 CA GLU A 18 16.445 -4.579 4.551 1.00 0.00 C ATOM 261 C GLU A 18 15.040 -4.351 3.992 1.00 0.00 C ATOM 262 O GLU A 18 14.791 -3.356 3.309 1.00 0.00 O ATOM 263 CB GLU A 18 16.606 -3.988 5.955 1.00 0.00 C ATOM 264 CG GLU A 18 16.482 -2.483 6.025 1.00 0.00 C ATOM 265 CD GLU A 18 16.140 -2.003 7.425 1.00 0.00 C ATOM 266 OE1 GLU A 18 15.000 -2.245 7.873 1.00 0.00 O ATOM 267 OE2 GLU A 18 17.014 -1.390 8.073 1.00 0.00 O ATOM 0 H GLU A 18 17.424 -3.022 3.523 1.00 0.00 H new ATOM 0 HA GLU A 18 16.596 -5.655 4.640 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.856 -4.432 6.609 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.581 -4.277 6.346 1.00 0.00 H new ATOM 0 HG2 GLU A 18 17.419 -2.027 5.705 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.711 -2.150 5.330 1.00 0.00 H new ATOM 274 N SER A 19 14.143 -5.310 4.245 1.00 0.00 N ATOM 275 CA SER A 19 12.776 -5.251 3.723 1.00 0.00 C ATOM 276 C SER A 19 11.873 -4.314 4.529 1.00 0.00 C ATOM 277 O SER A 19 12.283 -3.771 5.557 1.00 0.00 O ATOM 278 CB SER A 19 12.173 -6.655 3.674 1.00 0.00 C ATOM 279 OG SER A 19 12.176 -7.258 4.956 1.00 0.00 O ATOM 0 H SER A 19 14.341 -6.137 4.809 1.00 0.00 H new ATOM 0 HA SER A 19 12.836 -4.841 2.715 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.152 -6.602 3.296 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.739 -7.273 2.977 1.00 0.00 H new ATOM 0 HG SER A 19 11.784 -8.154 4.897 1.00 0.00 H new ATOM 285 N LYS A 20 10.644 -4.118 4.030 1.00 0.00 N ATOM 286 CA LYS A 20 9.669 -3.231 4.672 1.00 0.00 C ATOM 287 C LYS A 20 8.274 -3.442 4.092 1.00 0.00 C ATOM 288 O LYS A 20 8.056 -3.216 2.900 1.00 0.00 O ATOM 289 CB LYS A 20 10.070 -1.754 4.485 1.00 0.00 C ATOM 290 CG LYS A 20 10.628 -1.422 3.098 1.00 0.00 C ATOM 291 CD LYS A 20 9.974 -0.182 2.470 1.00 0.00 C ATOM 292 CE LYS A 20 10.979 0.685 1.714 1.00 0.00 C ATOM 293 NZ LYS A 20 10.442 1.174 0.404 1.00 0.00 N ATOM 0 H LYS A 20 10.302 -4.565 3.179 1.00 0.00 H new ATOM 0 HA LYS A 20 9.657 -3.474 5.735 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.199 -1.127 4.673 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.817 -1.495 5.236 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.703 -1.260 3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.480 -2.277 2.439 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.184 -0.497 1.788 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.502 0.412 3.252 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.254 1.540 2.332 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.889 0.112 1.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.618 2.195 0.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.916 0.673 -0.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.419 0.994 0.359 1.00 0.00 H new ATOM 307 N PHE A 21 7.323 -3.851 4.942 1.00 0.00 N ATOM 308 CA PHE A 21 5.937 -4.062 4.509 1.00 0.00 C ATOM 309 C PHE A 21 4.998 -3.088 5.206 1.00 0.00 C ATOM 310 O PHE A 21 5.231 -2.704 6.355 1.00 0.00 O ATOM 311 CB PHE A 21 5.485 -5.510 4.729 1.00 0.00 C ATOM 312 CG PHE A 21 5.474 -5.970 6.158 1.00 0.00 C ATOM 313 CD1 PHE A 21 4.392 -5.706 6.987 1.00 0.00 C ATOM 314 CD2 PHE A 21 6.548 -6.678 6.664 1.00 0.00 C ATOM 315 CE1 PHE A 21 4.388 -6.140 8.298 1.00 0.00 C ATOM 316 CE2 PHE A 21 6.551 -7.116 7.975 1.00 0.00 C ATOM 317 CZ PHE A 21 5.469 -6.846 8.794 1.00 0.00 C ATOM 0 H PHE A 21 7.488 -4.042 5.930 1.00 0.00 H new ATOM 0 HA PHE A 21 5.898 -3.870 3.437 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.481 -5.626 4.320 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.140 -6.168 4.158 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.546 -5.156 6.603 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.394 -6.891 6.028 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.542 -5.928 8.935 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.396 -7.668 8.359 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.469 -7.186 9.819 1.00 0.00 H new ATOM 327 N PHE A 22 3.943 -2.674 4.493 1.00 0.00 N ATOM 328 CA PHE A 22 2.967 -1.714 5.036 1.00 0.00 C ATOM 329 C PHE A 22 1.561 -2.306 5.043 1.00 0.00 C ATOM 330 O PHE A 22 0.981 -2.574 3.994 1.00 0.00 O ATOM 331 CB PHE A 22 3.034 -0.413 4.236 1.00 0.00 C ATOM 332 CG PHE A 22 4.408 0.190 4.294 1.00 0.00 C ATOM 333 CD1 PHE A 22 5.408 -0.253 3.441 1.00 0.00 C ATOM 334 CD2 PHE A 22 4.713 1.159 5.233 1.00 0.00 C ATOM 335 CE1 PHE A 22 6.686 0.263 3.527 1.00 0.00 C ATOM 336 CE2 PHE A 22 5.987 1.686 5.317 1.00 0.00 C ATOM 337 CZ PHE A 22 6.976 1.235 4.464 1.00 0.00 C ATOM 0 H PHE A 22 3.742 -2.986 3.543 1.00 0.00 H new ATOM 0 HA PHE A 22 3.218 -1.493 6.073 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.763 -0.607 3.198 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.306 0.296 4.629 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.185 -1.009 2.702 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.946 1.508 5.908 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.458 -0.094 2.862 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.210 2.449 6.048 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.974 1.642 4.530 1.00 0.00 H new ATOM 347 N LEU A 23 1.034 -2.535 6.247 1.00 0.00 N ATOM 348 CA LEU A 23 -0.285 -3.146 6.412 1.00 0.00 C ATOM 349 C LEU A 23 -1.436 -2.163 6.200 1.00 0.00 C ATOM 350 O LEU A 23 -1.661 -1.275 7.017 1.00 0.00 O ATOM 351 CB LEU A 23 -0.389 -3.773 7.801 1.00 0.00 C ATOM 352 CG LEU A 23 -1.535 -4.760 7.968 1.00 0.00 C ATOM 353 CD1 LEU A 23 -1.373 -5.929 7.003 1.00 0.00 C ATOM 354 CD2 LEU A 23 -1.608 -5.253 9.405 1.00 0.00 C ATOM 0 H LEU A 23 1.502 -2.306 7.124 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.379 -3.909 5.640 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.548 -4.283 8.026 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.503 -2.977 8.537 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.470 -4.250 7.735 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.200 -6.627 7.134 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.371 -5.557 5.978 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.432 -6.440 7.205 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.433 -5.958 9.506 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.673 -5.748 9.668 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.770 -4.406 10.072 1.00 0.00 H new ATOM 366 N CYS A 24 -2.186 -2.358 5.106 1.00 0.00 N ATOM 367 CA CYS A 24 -3.334 -1.503 4.788 1.00 0.00 C ATOM 368 C CYS A 24 -4.629 -2.086 5.348 1.00 0.00 C ATOM 369 O CYS A 24 -5.121 -3.108 4.856 1.00 0.00 O ATOM 370 CB CYS A 24 -3.472 -1.306 3.277 1.00 0.00 C ATOM 371 SG CYS A 24 -4.492 0.128 2.800 1.00 0.00 S ATOM 0 H CYS A 24 -2.017 -3.101 4.428 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.154 -0.535 5.256 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.478 -1.190 2.845 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.906 -2.207 2.843 1.00 0.00 H new ATOM 376 N GLN A 25 -5.182 -1.421 6.371 1.00 0.00 N ATOM 377 CA GLN A 25 -6.428 -1.852 6.999 1.00 0.00 C ATOM 378 C GLN A 25 -7.604 -1.102 6.385 1.00 0.00 C ATOM 379 O GLN A 25 -7.411 -0.094 5.696 1.00 0.00 O ATOM 380 CB GLN A 25 -6.378 -1.610 8.511 1.00 0.00 C ATOM 381 CG GLN A 25 -5.571 -2.658 9.274 1.00 0.00 C ATOM 382 CD GLN A 25 -4.697 -2.059 10.365 1.00 0.00 C ATOM 383 OE1 GLN A 25 -5.201 -1.510 11.345 1.00 0.00 O ATOM 384 NE2 GLN A 25 -3.378 -2.159 10.203 1.00 0.00 N ATOM 0 H GLN A 25 -4.779 -0.578 6.780 1.00 0.00 H new ATOM 0 HA GLN A 25 -6.557 -2.920 6.825 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.948 -0.626 8.699 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.396 -1.593 8.901 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.254 -3.381 9.720 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.942 -3.205 8.572 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.999 -2.622 9.377 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.747 -1.773 10.905 1.00 0.00 H new ATOM 393 N VAL A 26 -8.820 -1.603 6.624 1.00 0.00 N ATOM 394 CA VAL A 26 -10.025 -0.987 6.077 1.00 0.00 C ATOM 395 C VAL A 26 -11.191 -1.029 7.071 1.00 0.00 C ATOM 396 O VAL A 26 -11.116 -1.700 8.102 1.00 0.00 O ATOM 397 CB VAL A 26 -10.438 -1.695 4.766 1.00 0.00 C ATOM 398 CG1 VAL A 26 -9.366 -1.497 3.702 1.00 0.00 C ATOM 399 CG2 VAL A 26 -10.695 -3.186 5.002 1.00 0.00 C ATOM 0 H VAL A 26 -8.992 -2.432 7.192 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.792 0.058 5.875 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.368 -1.248 4.414 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.668 -2.000 2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.239 -0.432 3.508 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.423 -1.917 4.053 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.984 -3.659 4.063 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.787 -3.656 5.381 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.497 -3.306 5.730 1.00 0.00 H new ATOM 409 N ALA A 27 -12.273 -0.319 6.735 1.00 0.00 N ATOM 410 CA ALA A 27 -13.471 -0.278 7.572 1.00 0.00 C ATOM 411 C ALA A 27 -14.668 0.216 6.759 1.00 0.00 C ATOM 412 O ALA A 27 -14.609 1.283 6.143 1.00 0.00 O ATOM 413 CB ALA A 27 -13.242 0.596 8.806 1.00 0.00 C ATOM 0 H ALA A 27 -12.341 0.238 5.883 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.688 -1.288 7.919 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -14.147 0.612 9.414 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.418 0.189 9.392 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.998 1.611 8.493 1.00 0.00 H new ATOM 419 N GLY A 28 -15.746 -0.576 6.745 1.00 0.00 N ATOM 420 CA GLY A 28 -16.940 -0.214 5.990 1.00 0.00 C ATOM 421 C GLY A 28 -17.646 -1.429 5.412 1.00 0.00 C ATOM 422 O GLY A 28 -17.007 -2.448 5.139 1.00 0.00 O ATOM 0 H GLY A 28 -15.812 -1.463 7.245 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -17.627 0.328 6.639 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.665 0.463 5.181 1.00 0.00 H new ATOM 426 N ASP A 29 -18.967 -1.322 5.227 1.00 0.00 N ATOM 427 CA ASP A 29 -19.770 -2.417 4.677 1.00 0.00 C ATOM 428 C ASP A 29 -20.193 -2.107 3.233 1.00 0.00 C ATOM 429 O ASP A 29 -21.341 -2.343 2.840 1.00 0.00 O ATOM 430 CB ASP A 29 -20.997 -2.658 5.567 1.00 0.00 C ATOM 431 CG ASP A 29 -21.669 -3.987 5.279 1.00 0.00 C ATOM 432 OD1 ASP A 29 -20.948 -4.973 5.019 1.00 0.00 O ATOM 433 OD2 ASP A 29 -22.917 -4.043 5.317 1.00 0.00 O ATOM 0 H ASP A 29 -19.503 -0.484 5.452 1.00 0.00 H new ATOM 0 HA ASP A 29 -19.167 -3.325 4.659 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -20.695 -2.626 6.614 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -21.715 -1.851 5.418 1.00 0.00 H new ATOM 438 N ALA A 30 -19.251 -1.574 2.444 1.00 0.00 N ATOM 439 CA ALA A 30 -19.518 -1.228 1.044 1.00 0.00 C ATOM 440 C ALA A 30 -19.328 -2.415 0.078 1.00 0.00 C ATOM 441 O ALA A 30 -19.439 -2.234 -1.131 1.00 0.00 O ATOM 442 CB ALA A 30 -18.645 -0.052 0.626 1.00 0.00 C ATOM 0 H ALA A 30 -18.299 -1.374 2.752 1.00 0.00 H new ATOM 0 HA ALA A 30 -20.570 -0.948 0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -18.848 0.200 -0.415 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -18.867 0.808 1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -17.595 -0.322 0.736 1.00 0.00 H new ATOM 448 N LYS A 31 -19.067 -3.620 0.613 1.00 0.00 N ATOM 449 CA LYS A 31 -18.889 -4.835 -0.197 1.00 0.00 C ATOM 450 C LYS A 31 -17.751 -4.718 -1.235 1.00 0.00 C ATOM 451 O LYS A 31 -16.631 -5.157 -0.975 1.00 0.00 O ATOM 452 CB LYS A 31 -20.221 -5.230 -0.861 1.00 0.00 C ATOM 453 CG LYS A 31 -21.287 -5.680 0.129 1.00 0.00 C ATOM 454 CD LYS A 31 -22.100 -4.506 0.657 1.00 0.00 C ATOM 455 CE LYS A 31 -23.013 -3.934 -0.417 1.00 0.00 C ATOM 456 NZ LYS A 31 -24.005 -2.977 0.147 1.00 0.00 N ATOM 0 H LYS A 31 -18.974 -3.778 1.616 1.00 0.00 H new ATOM 0 HA LYS A 31 -18.582 -5.629 0.483 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -20.600 -4.380 -1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -20.037 -6.034 -1.574 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -21.953 -6.395 -0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -20.813 -6.198 0.963 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -22.697 -4.829 1.510 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -21.427 -3.728 1.016 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -22.412 -3.429 -1.173 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -23.538 -4.747 -0.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -24.607 -2.611 -0.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -24.596 -3.464 0.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -23.505 -2.187 0.603 1.00 0.00 H new ATOM 470 N ASP A 32 -18.057 -4.163 -2.418 1.00 0.00 N ATOM 471 CA ASP A 32 -17.100 -4.008 -3.538 1.00 0.00 C ATOM 472 C ASP A 32 -15.660 -3.653 -3.122 1.00 0.00 C ATOM 473 O ASP A 32 -14.727 -4.047 -3.819 1.00 0.00 O ATOM 474 CB ASP A 32 -17.615 -2.950 -4.515 1.00 0.00 C ATOM 475 CG ASP A 32 -17.112 -3.172 -5.929 1.00 0.00 C ATOM 476 OD1 ASP A 32 -17.418 -4.236 -6.507 1.00 0.00 O ATOM 477 OD2 ASP A 32 -16.412 -2.282 -6.456 1.00 0.00 O ATOM 0 H ASP A 32 -18.987 -3.803 -2.632 1.00 0.00 H new ATOM 0 HA ASP A 32 -17.042 -4.992 -4.004 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -18.705 -2.960 -4.515 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -17.305 -1.963 -4.173 1.00 0.00 H new ATOM 482 N LYS A 33 -15.507 -2.900 -2.004 1.00 0.00 N ATOM 483 CA LYS A 33 -14.191 -2.442 -1.444 1.00 0.00 C ATOM 484 C LYS A 33 -12.947 -3.137 -2.059 1.00 0.00 C ATOM 485 O LYS A 33 -12.407 -4.091 -1.493 1.00 0.00 O ATOM 486 CB LYS A 33 -14.191 -2.620 0.084 1.00 0.00 C ATOM 487 CG LYS A 33 -15.411 -2.006 0.781 1.00 0.00 C ATOM 488 CD LYS A 33 -15.044 -1.246 2.052 1.00 0.00 C ATOM 489 CE LYS A 33 -14.925 -2.178 3.247 1.00 0.00 C ATOM 490 NZ LYS A 33 -13.621 -2.897 3.267 1.00 0.00 N ATOM 0 H LYS A 33 -16.303 -2.584 -1.450 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.100 -1.390 -1.715 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -14.150 -3.684 0.316 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -13.286 -2.169 0.492 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -15.916 -1.330 0.091 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -16.119 -2.797 1.028 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -14.100 -0.722 1.903 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -15.801 -0.488 2.255 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -15.036 -1.604 4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -15.738 -2.903 3.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.374 -3.142 4.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.695 -3.767 2.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.881 -2.286 2.866 1.00 0.00 H new ATOM 504 N ASP A 34 -12.533 -2.656 -3.243 1.00 0.00 N ATOM 505 CA ASP A 34 -11.394 -3.221 -3.973 1.00 0.00 C ATOM 506 C ASP A 34 -10.097 -2.458 -3.690 1.00 0.00 C ATOM 507 O ASP A 34 -9.955 -1.308 -4.105 1.00 0.00 O ATOM 508 CB ASP A 34 -11.692 -3.197 -5.477 1.00 0.00 C ATOM 509 CG ASP A 34 -12.547 -4.372 -5.913 1.00 0.00 C ATOM 510 OD1 ASP A 34 -12.269 -5.505 -5.467 1.00 0.00 O ATOM 511 OD2 ASP A 34 -13.492 -4.159 -6.701 1.00 0.00 O ATOM 0 H ASP A 34 -12.978 -1.869 -3.716 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.252 -4.247 -3.633 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.201 -2.267 -5.730 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.754 -3.208 -6.031 1.00 0.00 H new ATOM 516 N ILE A 35 -9.160 -3.118 -2.992 1.00 0.00 N ATOM 517 CA ILE A 35 -7.864 -2.522 -2.645 1.00 0.00 C ATOM 518 C ILE A 35 -6.960 -2.358 -3.883 1.00 0.00 C ATOM 519 O ILE A 35 -7.082 -3.088 -4.867 1.00 0.00 O ATOM 520 CB ILE A 35 -7.140 -3.384 -1.547 1.00 0.00 C ATOM 521 CG1 ILE A 35 -7.846 -3.210 -0.189 1.00 0.00 C ATOM 522 CG2 ILE A 35 -5.634 -3.075 -1.417 1.00 0.00 C ATOM 523 CD1 ILE A 35 -7.602 -1.871 0.491 1.00 0.00 C ATOM 0 H ILE A 35 -9.279 -4.073 -2.655 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.057 -1.527 -2.244 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.209 -4.423 -1.870 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.919 -3.337 -0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.518 -4.006 0.480 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.199 -3.706 -0.642 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.138 -3.274 -2.367 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.499 -2.027 -1.150 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.139 -1.841 1.439 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.535 -1.745 0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.957 -1.066 -0.152 1.00 0.00 H new ATOM 535 N SER A 36 -6.033 -1.399 -3.783 1.00 0.00 N ATOM 536 CA SER A 36 -5.062 -1.114 -4.836 1.00 0.00 C ATOM 537 C SER A 36 -3.824 -0.459 -4.218 1.00 0.00 C ATOM 538 O SER A 36 -3.912 0.110 -3.131 1.00 0.00 O ATOM 539 CB SER A 36 -5.675 -0.195 -5.895 1.00 0.00 C ATOM 540 OG SER A 36 -6.833 -0.778 -6.470 1.00 0.00 O ATOM 0 H SER A 36 -5.938 -0.798 -2.964 1.00 0.00 H new ATOM 0 HA SER A 36 -4.774 -2.047 -5.321 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.933 0.763 -5.444 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.941 0.007 -6.675 1.00 0.00 H new ATOM 0 HG SER A 36 -7.206 -0.170 -7.142 1.00 0.00 H new ATOM 546 N TRP A 37 -2.676 -0.538 -4.900 1.00 0.00 N ATOM 547 CA TRP A 37 -1.429 0.058 -4.390 1.00 0.00 C ATOM 548 C TRP A 37 -0.737 0.885 -5.469 1.00 0.00 C ATOM 549 O TRP A 37 -0.436 0.373 -6.553 1.00 0.00 O ATOM 550 CB TRP A 37 -0.477 -1.029 -3.875 1.00 0.00 C ATOM 551 CG TRP A 37 -0.757 -1.446 -2.464 1.00 0.00 C ATOM 552 CD1 TRP A 37 -1.498 -2.520 -2.060 1.00 0.00 C ATOM 553 CD2 TRP A 37 -0.303 -0.799 -1.269 1.00 0.00 C ATOM 554 NE1 TRP A 37 -1.529 -2.584 -0.689 1.00 0.00 N ATOM 555 CE2 TRP A 37 -0.804 -1.538 -0.180 1.00 0.00 C ATOM 556 CE3 TRP A 37 0.480 0.333 -1.012 1.00 0.00 C ATOM 557 CZ2 TRP A 37 -0.542 -1.185 1.143 1.00 0.00 C ATOM 558 CZ3 TRP A 37 0.734 0.685 0.304 1.00 0.00 C ATOM 559 CH2 TRP A 37 0.226 -0.073 1.364 1.00 0.00 C ATOM 0 H TRP A 37 -2.581 -1.005 -5.802 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.692 0.717 -3.562 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.548 -1.901 -4.525 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.548 -0.665 -3.942 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.988 -3.218 -2.723 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.013 -3.294 -0.139 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.879 0.921 -1.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -0.931 -1.768 1.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.334 1.558 0.514 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.444 0.225 2.379 1.00 0.00 H new ATOM 570 N PHE A 38 -0.483 2.171 -5.172 1.00 0.00 N ATOM 571 CA PHE A 38 0.175 3.063 -6.135 1.00 0.00 C ATOM 572 C PHE A 38 1.526 3.568 -5.643 1.00 0.00 C ATOM 573 O PHE A 38 1.607 4.334 -4.682 1.00 0.00 O ATOM 574 CB PHE A 38 -0.741 4.236 -6.493 1.00 0.00 C ATOM 575 CG PHE A 38 -2.046 3.789 -7.083 1.00 0.00 C ATOM 576 CD1 PHE A 38 -3.108 3.455 -6.264 1.00 0.00 C ATOM 577 CD2 PHE A 38 -2.199 3.682 -8.454 1.00 0.00 C ATOM 578 CE1 PHE A 38 -4.306 3.023 -6.804 1.00 0.00 C ATOM 579 CE2 PHE A 38 -3.393 3.249 -9.001 1.00 0.00 C ATOM 580 CZ PHE A 38 -4.447 2.919 -8.174 1.00 0.00 C ATOM 0 H PHE A 38 -0.721 2.610 -4.283 1.00 0.00 H new ATOM 0 HA PHE A 38 0.368 2.473 -7.031 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.935 4.827 -5.598 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.230 4.888 -7.202 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.001 3.532 -5.192 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.376 3.940 -9.105 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.130 2.767 -6.155 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.500 3.169 -10.073 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.381 2.580 -8.597 1.00 0.00 H new ATOM 590 N SER A 39 2.593 3.131 -6.332 1.00 0.00 N ATOM 591 CA SER A 39 3.956 3.527 -6.002 1.00 0.00 C ATOM 592 C SER A 39 4.153 5.042 -6.168 1.00 0.00 C ATOM 593 O SER A 39 3.451 5.674 -6.993 1.00 0.00 O ATOM 594 CB SER A 39 4.967 2.775 -6.874 1.00 0.00 C ATOM 595 OG SER A 39 4.754 3.042 -8.248 1.00 0.00 O ATOM 0 H SER A 39 2.527 2.497 -7.128 1.00 0.00 H new ATOM 0 HA SER A 39 4.126 3.269 -4.957 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.980 3.067 -6.596 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.883 1.704 -6.691 1.00 0.00 H new ATOM 0 HG SER A 39 5.413 2.552 -8.783 1.00 0.00 H new ATOM 601 N PRO A 40 5.121 5.637 -5.383 1.00 0.00 N ATOM 602 CA PRO A 40 5.437 7.085 -5.398 1.00 0.00 C ATOM 603 C PRO A 40 5.861 7.648 -6.759 1.00 0.00 C ATOM 604 O PRO A 40 5.953 8.871 -6.906 1.00 0.00 O ATOM 605 CB PRO A 40 6.583 7.224 -4.378 1.00 0.00 C ATOM 606 CG PRO A 40 7.151 5.858 -4.254 1.00 0.00 C ATOM 607 CD PRO A 40 5.985 4.933 -4.400 1.00 0.00 C ATOM 0 HA PRO A 40 4.543 7.660 -5.159 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.334 7.935 -4.722 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.216 7.588 -3.418 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.900 5.672 -5.024 1.00 0.00 H new ATOM 0 HG3 PRO A 40 7.643 5.722 -3.291 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.291 3.952 -4.762 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.472 4.777 -3.451 1.00 0.00 H new ATOM 615 N ASN A 41 6.092 6.784 -7.754 1.00 0.00 N ATOM 616 CA ASN A 41 6.467 7.256 -9.085 1.00 0.00 C ATOM 617 C ASN A 41 5.242 7.821 -9.831 1.00 0.00 C ATOM 618 O ASN A 41 5.389 8.384 -10.918 1.00 0.00 O ATOM 619 CB ASN A 41 7.090 6.118 -9.899 1.00 0.00 C ATOM 620 CG ASN A 41 7.831 6.622 -11.127 1.00 0.00 C ATOM 621 OD1 ASN A 41 8.953 7.118 -11.024 1.00 0.00 O ATOM 622 ND2 ASN A 41 7.208 6.500 -12.299 1.00 0.00 N ATOM 0 H ASN A 41 6.026 5.770 -7.663 1.00 0.00 H new ATOM 0 HA ASN A 41 7.201 8.053 -8.966 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.779 5.558 -9.267 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.307 5.426 -10.209 1.00 0.00 H new ATOM 0 HD21 ASN A 41 7.661 6.824 -13.154 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.278 6.083 -12.341 1.00 0.00 H new ATOM 629 N GLY A 42 4.037 7.683 -9.236 1.00 0.00 N ATOM 630 CA GLY A 42 2.827 8.189 -9.839 1.00 0.00 C ATOM 631 C GLY A 42 2.085 7.121 -10.596 1.00 0.00 C ATOM 632 O GLY A 42 1.577 7.387 -11.690 1.00 0.00 O ATOM 0 H GLY A 42 3.897 7.222 -8.337 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.180 8.600 -9.064 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.074 9.008 -10.515 1.00 0.00 H new ATOM 636 N GLU A 43 2.019 5.902 -10.031 1.00 0.00 N ATOM 637 CA GLU A 43 1.314 4.810 -10.726 1.00 0.00 C ATOM 638 C GLU A 43 1.065 3.615 -9.824 1.00 0.00 C ATOM 639 O GLU A 43 1.467 3.623 -8.671 1.00 0.00 O ATOM 640 CB GLU A 43 2.113 4.362 -11.954 1.00 0.00 C ATOM 641 CG GLU A 43 3.550 3.978 -11.636 1.00 0.00 C ATOM 642 CD GLU A 43 4.114 2.956 -12.603 1.00 0.00 C ATOM 643 OE1 GLU A 43 4.568 3.359 -13.694 1.00 0.00 O ATOM 644 OE2 GLU A 43 4.099 1.752 -12.271 1.00 0.00 O ATOM 0 H GLU A 43 2.428 5.653 -9.130 1.00 0.00 H new ATOM 0 HA GLU A 43 0.345 5.203 -11.032 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.611 3.511 -12.413 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.115 5.166 -12.690 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.173 4.872 -11.656 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.599 3.578 -10.623 1.00 0.00 H new ATOM 651 N LYS A 44 0.394 2.589 -10.369 1.00 0.00 N ATOM 652 CA LYS A 44 0.087 1.369 -9.621 1.00 0.00 C ATOM 653 C LYS A 44 1.185 0.325 -9.800 1.00 0.00 C ATOM 654 O LYS A 44 1.534 -0.028 -10.929 1.00 0.00 O ATOM 655 CB LYS A 44 -1.265 0.795 -10.048 1.00 0.00 C ATOM 656 CG LYS A 44 -1.962 0.026 -8.937 1.00 0.00 C ATOM 657 CD LYS A 44 -3.117 -0.804 -9.474 1.00 0.00 C ATOM 658 CE LYS A 44 -4.279 0.068 -9.930 1.00 0.00 C ATOM 659 NZ LYS A 44 -5.061 -0.578 -11.019 1.00 0.00 N ATOM 0 H LYS A 44 0.054 2.584 -11.331 1.00 0.00 H new ATOM 0 HA LYS A 44 0.034 1.632 -8.565 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.910 1.608 -10.379 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.119 0.135 -10.903 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.245 -0.626 -8.439 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.332 0.724 -8.187 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.770 -1.412 -10.309 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.460 -1.491 -8.701 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.935 0.272 -9.083 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.898 1.029 -10.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.843 0.046 -11.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.441 -0.750 -11.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.446 -1.483 -10.680 1.00 0.00 H new ATOM 673 N LEU A 45 1.724 -0.163 -8.679 1.00 0.00 N ATOM 674 CA LEU A 45 2.785 -1.169 -8.710 1.00 0.00 C ATOM 675 C LEU A 45 2.199 -2.571 -8.850 1.00 0.00 C ATOM 676 O LEU A 45 1.225 -2.912 -8.175 1.00 0.00 O ATOM 677 CB LEU A 45 3.648 -1.074 -7.447 1.00 0.00 C ATOM 678 CG LEU A 45 2.901 -1.322 -6.121 1.00 0.00 C ATOM 679 CD1 LEU A 45 3.055 -2.769 -5.669 1.00 0.00 C ATOM 680 CD2 LEU A 45 3.390 -0.373 -5.029 1.00 0.00 C ATOM 0 H LEU A 45 1.442 0.123 -7.741 1.00 0.00 H new ATOM 0 HA LEU A 45 3.415 -0.974 -9.578 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.462 -1.795 -7.527 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.102 -0.084 -7.410 1.00 0.00 H new ATOM 0 HG LEU A 45 1.843 -1.127 -6.298 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.519 -2.916 -4.732 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.645 -3.433 -6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.111 -2.994 -5.522 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.846 -0.570 -4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.456 -0.528 -4.863 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.217 0.658 -5.339 1.00 0.00 H new ATOM 692 N SER A 46 2.795 -3.377 -9.736 1.00 0.00 N ATOM 693 CA SER A 46 2.329 -4.742 -9.971 1.00 0.00 C ATOM 694 C SER A 46 2.620 -5.639 -8.762 1.00 0.00 C ATOM 695 O SER A 46 3.539 -5.355 -7.990 1.00 0.00 O ATOM 696 CB SER A 46 2.983 -5.330 -11.224 1.00 0.00 C ATOM 697 OG SER A 46 3.047 -4.371 -12.264 1.00 0.00 O ATOM 0 H SER A 46 3.600 -3.105 -10.300 1.00 0.00 H new ATOM 0 HA SER A 46 1.250 -4.702 -10.122 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.988 -5.678 -10.984 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.416 -6.198 -11.560 1.00 0.00 H new ATOM 0 HG SER A 46 3.470 -4.771 -13.052 1.00 0.00 H new ATOM 703 N PRO A 47 1.841 -6.739 -8.574 1.00 0.00 N ATOM 704 CA PRO A 47 2.039 -7.659 -7.447 1.00 0.00 C ATOM 705 C PRO A 47 3.264 -8.558 -7.625 1.00 0.00 C ATOM 706 O PRO A 47 3.893 -8.957 -6.642 1.00 0.00 O ATOM 707 CB PRO A 47 0.753 -8.490 -7.444 1.00 0.00 C ATOM 708 CG PRO A 47 0.320 -8.508 -8.868 1.00 0.00 C ATOM 709 CD PRO A 47 0.713 -7.172 -9.436 1.00 0.00 C ATOM 0 HA PRO A 47 2.223 -7.126 -6.514 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.932 -9.498 -7.071 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.007 -8.043 -6.803 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.801 -9.321 -9.412 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.756 -8.665 -8.947 1.00 0.00 H new ATOM 0 HD2 PRO A 47 1.016 -7.255 -10.480 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -0.114 -6.463 -9.399 1.00 0.00 H new ATOM 717 N ASN A 48 3.596 -8.882 -8.883 1.00 0.00 N ATOM 718 CA ASN A 48 4.742 -9.744 -9.191 1.00 0.00 C ATOM 719 C ASN A 48 5.799 -8.989 -10.012 1.00 0.00 C ATOM 720 O ASN A 48 6.186 -9.418 -11.107 1.00 0.00 O ATOM 721 CB ASN A 48 4.263 -10.998 -9.935 1.00 0.00 C ATOM 722 CG ASN A 48 3.537 -11.970 -9.019 1.00 0.00 C ATOM 723 OD1 ASN A 48 4.167 -12.756 -8.311 1.00 0.00 O ATOM 724 ND2 ASN A 48 2.206 -11.924 -9.028 1.00 0.00 N ATOM 0 H ASN A 48 3.085 -8.558 -9.704 1.00 0.00 H new ATOM 0 HA ASN A 48 5.211 -10.047 -8.255 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.599 -10.704 -10.748 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.119 -11.499 -10.387 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.670 -12.556 -8.433 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.723 -11.257 -9.630 1.00 0.00 H new ATOM 731 N GLN A 49 6.273 -7.862 -9.467 1.00 0.00 N ATOM 732 CA GLN A 49 7.290 -7.054 -10.138 1.00 0.00 C ATOM 733 C GLN A 49 8.670 -7.718 -10.007 1.00 0.00 C ATOM 734 O GLN A 49 9.122 -8.394 -10.934 1.00 0.00 O ATOM 735 CB GLN A 49 7.310 -5.629 -9.562 1.00 0.00 C ATOM 736 CG GLN A 49 6.223 -4.723 -10.113 1.00 0.00 C ATOM 737 CD GLN A 49 6.558 -3.250 -9.946 1.00 0.00 C ATOM 738 OE1 GLN A 49 6.501 -2.481 -10.905 1.00 0.00 O ATOM 739 NE2 GLN A 49 6.915 -2.847 -8.726 1.00 0.00 N ATOM 0 H GLN A 49 5.968 -7.493 -8.566 1.00 0.00 H new ATOM 0 HA GLN A 49 7.042 -6.988 -11.197 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.207 -5.685 -8.478 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.282 -5.179 -9.767 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.073 -4.941 -11.170 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.282 -4.939 -9.606 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.950 -3.517 -7.957 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.153 -1.869 -8.561 1.00 0.00 H new ATOM 748 N GLN A 50 9.327 -7.538 -8.851 1.00 0.00 N ATOM 749 CA GLN A 50 10.645 -8.132 -8.595 1.00 0.00 C ATOM 750 C GLN A 50 10.861 -8.276 -7.089 1.00 0.00 C ATOM 751 O GLN A 50 10.814 -9.384 -6.548 1.00 0.00 O ATOM 752 CB GLN A 50 11.803 -7.309 -9.227 1.00 0.00 C ATOM 753 CG GLN A 50 11.451 -6.569 -10.512 1.00 0.00 C ATOM 754 CD GLN A 50 12.629 -5.799 -11.084 1.00 0.00 C ATOM 755 OE1 GLN A 50 13.708 -6.356 -11.284 1.00 0.00 O ATOM 756 NE2 GLN A 50 12.431 -4.509 -11.353 1.00 0.00 N ATOM 0 H GLN A 50 8.964 -6.983 -8.076 1.00 0.00 H new ATOM 0 HA GLN A 50 10.659 -9.114 -9.068 1.00 0.00 H new ATOM 0 HB2 GLN A 50 12.153 -6.583 -8.493 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.636 -7.982 -9.431 1.00 0.00 H new ATOM 0 HG2 GLN A 50 11.095 -7.285 -11.253 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.631 -5.878 -10.316 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.521 -4.084 -11.173 1.00 0.00 H new ATOM 0 HE22 GLN A 50 13.189 -3.946 -11.739 1.00 0.00 H new ATOM 765 N ARG A 51 11.085 -7.146 -6.425 1.00 0.00 N ATOM 766 CA ARG A 51 11.299 -7.105 -4.981 1.00 0.00 C ATOM 767 C ARG A 51 10.028 -6.694 -4.231 1.00 0.00 C ATOM 768 O ARG A 51 9.825 -7.105 -3.087 1.00 0.00 O ATOM 769 CB ARG A 51 12.447 -6.148 -4.661 1.00 0.00 C ATOM 770 CG ARG A 51 13.800 -6.670 -5.135 1.00 0.00 C ATOM 771 CD ARG A 51 14.732 -5.550 -5.572 1.00 0.00 C ATOM 772 NE ARG A 51 14.391 -5.053 -6.910 1.00 0.00 N ATOM 773 CZ ARG A 51 15.271 -4.628 -7.829 1.00 0.00 C ATOM 774 NH1 ARG A 51 16.582 -4.591 -7.584 1.00 0.00 N ATOM 775 NH2 ARG A 51 14.827 -4.224 -9.011 1.00 0.00 N ATOM 0 H ARG A 51 11.123 -6.231 -6.874 1.00 0.00 H new ATOM 0 HA ARG A 51 11.560 -8.109 -4.645 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.251 -5.183 -5.128 1.00 0.00 H new ATOM 0 HB3 ARG A 51 12.484 -5.979 -3.585 1.00 0.00 H new ATOM 0 HG2 ARG A 51 14.270 -7.237 -4.331 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.650 -7.359 -5.966 1.00 0.00 H new ATOM 0 HD2 ARG A 51 14.678 -4.731 -4.855 1.00 0.00 H new ATOM 0 HD3 ARG A 51 15.761 -5.910 -5.569 1.00 0.00 H new ATOM 0 HE ARG A 51 13.403 -5.029 -7.162 1.00 0.00 H new ATOM 0 HH11 ARG A 51 16.940 -4.891 -6.677 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.226 -4.263 -8.303 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.827 -4.239 -9.212 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.485 -3.898 -9.719 1.00 0.00 H new ATOM 789 N ILE A 52 9.176 -5.881 -4.877 1.00 0.00 N ATOM 790 CA ILE A 52 7.929 -5.422 -4.255 1.00 0.00 C ATOM 791 C ILE A 52 6.783 -6.400 -4.542 1.00 0.00 C ATOM 792 O ILE A 52 6.260 -6.450 -5.657 1.00 0.00 O ATOM 793 CB ILE A 52 7.546 -3.987 -4.723 1.00 0.00 C ATOM 794 CG1 ILE A 52 8.713 -3.024 -4.439 1.00 0.00 C ATOM 795 CG2 ILE A 52 6.265 -3.503 -4.031 1.00 0.00 C ATOM 796 CD1 ILE A 52 8.454 -1.576 -4.819 1.00 0.00 C ATOM 0 H ILE A 52 9.329 -5.532 -5.823 1.00 0.00 H new ATOM 0 HA ILE A 52 8.098 -5.388 -3.179 1.00 0.00 H new ATOM 0 HB ILE A 52 7.352 -4.009 -5.795 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.951 -3.069 -3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.593 -3.374 -4.978 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.022 -2.498 -4.377 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.444 -4.178 -4.272 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.418 -3.488 -2.952 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.332 -0.975 -4.582 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.248 -1.511 -5.887 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.596 -1.201 -4.261 1.00 0.00 H new ATOM 808 N SER A 53 6.401 -7.170 -3.517 1.00 0.00 N ATOM 809 CA SER A 53 5.320 -8.148 -3.625 1.00 0.00 C ATOM 810 C SER A 53 4.115 -7.719 -2.783 1.00 0.00 C ATOM 811 O SER A 53 4.243 -7.507 -1.576 1.00 0.00 O ATOM 812 CB SER A 53 5.817 -9.517 -3.157 1.00 0.00 C ATOM 813 OG SER A 53 4.956 -10.551 -3.600 1.00 0.00 O ATOM 0 H SER A 53 6.833 -7.131 -2.594 1.00 0.00 H new ATOM 0 HA SER A 53 5.009 -8.209 -4.668 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.824 -9.691 -3.536 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.879 -9.532 -2.069 1.00 0.00 H new ATOM 0 HG SER A 53 5.297 -11.416 -3.289 1.00 0.00 H new ATOM 819 N VAL A 54 2.948 -7.595 -3.425 1.00 0.00 N ATOM 820 CA VAL A 54 1.713 -7.196 -2.735 1.00 0.00 C ATOM 821 C VAL A 54 0.913 -8.437 -2.341 1.00 0.00 C ATOM 822 O VAL A 54 1.083 -9.498 -2.950 1.00 0.00 O ATOM 823 CB VAL A 54 0.821 -6.287 -3.624 1.00 0.00 C ATOM 824 CG1 VAL A 54 -0.322 -5.685 -2.815 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.637 -5.184 -4.285 1.00 0.00 C ATOM 0 H VAL A 54 2.831 -7.765 -4.424 1.00 0.00 H new ATOM 0 HA VAL A 54 2.004 -6.633 -1.849 1.00 0.00 H new ATOM 0 HB VAL A 54 0.398 -6.914 -4.409 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.931 -5.053 -3.461 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.938 -6.485 -2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.085 -5.086 -2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.983 -4.566 -4.900 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.103 -4.566 -3.517 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.410 -5.629 -4.912 1.00 0.00 H new ATOM 835 N VAL A 55 0.036 -8.307 -1.331 1.00 0.00 N ATOM 836 CA VAL A 55 -0.777 -9.443 -0.890 1.00 0.00 C ATOM 837 C VAL A 55 -2.109 -9.006 -0.255 1.00 0.00 C ATOM 838 O VAL A 55 -2.174 -8.005 0.457 1.00 0.00 O ATOM 839 CB VAL A 55 0.017 -10.353 0.089 1.00 0.00 C ATOM 840 CG1 VAL A 55 0.330 -9.640 1.402 1.00 0.00 C ATOM 841 CG2 VAL A 55 -0.727 -11.659 0.343 1.00 0.00 C ATOM 0 H VAL A 55 -0.124 -7.442 -0.815 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.019 -10.016 -1.785 1.00 0.00 H new ATOM 0 HB VAL A 55 0.969 -10.588 -0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.885 -10.311 2.057 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.929 -8.752 1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.601 -9.347 1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.151 -12.278 1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.702 -11.443 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.860 -12.191 -0.599 1.00 0.00 H new ATOM 851 N TRP A 56 -3.160 -9.794 -0.513 1.00 0.00 N ATOM 852 CA TRP A 56 -4.497 -9.541 0.029 1.00 0.00 C ATOM 853 C TRP A 56 -4.885 -10.696 0.947 1.00 0.00 C ATOM 854 O TRP A 56 -5.002 -11.835 0.488 1.00 0.00 O ATOM 855 CB TRP A 56 -5.503 -9.411 -1.112 1.00 0.00 C ATOM 856 CG TRP A 56 -5.210 -8.255 -2.013 1.00 0.00 C ATOM 857 CD1 TRP A 56 -5.816 -7.036 -1.998 1.00 0.00 C ATOM 858 CD2 TRP A 56 -4.229 -8.205 -3.055 1.00 0.00 C ATOM 859 NE1 TRP A 56 -5.274 -6.228 -2.960 1.00 0.00 N ATOM 860 CE2 TRP A 56 -4.301 -6.923 -3.631 1.00 0.00 C ATOM 861 CE3 TRP A 56 -3.299 -9.119 -3.560 1.00 0.00 C ATOM 862 CZ2 TRP A 56 -3.478 -6.531 -4.682 1.00 0.00 C ATOM 863 CZ3 TRP A 56 -2.482 -8.729 -4.604 1.00 0.00 C ATOM 864 CH2 TRP A 56 -2.578 -7.445 -5.156 1.00 0.00 C ATOM 0 H TRP A 56 -3.106 -10.624 -1.103 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.496 -8.611 0.597 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -5.503 -10.331 -1.697 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.504 -9.297 -0.696 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -6.610 -6.748 -1.324 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.549 -5.264 -3.148 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -3.221 -10.112 -3.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.547 -5.541 -5.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.758 -9.425 -5.001 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.927 -7.171 -5.973 1.00 0.00 H new ATOM 875 N ASN A 57 -5.045 -10.417 2.250 1.00 0.00 N ATOM 876 CA ASN A 57 -5.372 -11.474 3.231 1.00 0.00 C ATOM 877 C ASN A 57 -6.765 -11.309 3.856 1.00 0.00 C ATOM 878 O ASN A 57 -7.689 -12.045 3.504 1.00 0.00 O ATOM 879 CB ASN A 57 -4.287 -11.576 4.333 1.00 0.00 C ATOM 880 CG ASN A 57 -3.642 -10.244 4.710 1.00 0.00 C ATOM 881 OD1 ASN A 57 -3.955 -9.665 5.751 1.00 0.00 O ATOM 882 ND2 ASN A 57 -2.728 -9.759 3.869 1.00 0.00 N ATOM 0 H ASN A 57 -4.956 -9.483 2.649 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.389 -12.408 2.670 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.733 -12.015 5.225 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.508 -12.260 3.997 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.260 -8.877 4.078 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.497 -10.270 3.017 1.00 0.00 H new ATOM 889 N ASP A 58 -6.910 -10.366 4.800 1.00 0.00 N ATOM 890 CA ASP A 58 -8.194 -10.139 5.494 1.00 0.00 C ATOM 891 C ASP A 58 -9.342 -9.854 4.512 1.00 0.00 C ATOM 892 O ASP A 58 -9.167 -9.955 3.296 1.00 0.00 O ATOM 893 CB ASP A 58 -8.049 -8.988 6.514 1.00 0.00 C ATOM 894 CG ASP A 58 -8.587 -9.346 7.889 1.00 0.00 C ATOM 895 OD1 ASP A 58 -7.824 -9.923 8.692 1.00 0.00 O ATOM 896 OD2 ASP A 58 -9.770 -9.050 8.159 1.00 0.00 O ATOM 0 H ASP A 58 -6.157 -9.748 5.102 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.450 -11.057 6.024 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.997 -8.716 6.600 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.576 -8.110 6.141 1.00 0.00 H new ATOM 901 N ASP A 59 -10.523 -9.499 5.051 1.00 0.00 N ATOM 902 CA ASP A 59 -11.714 -9.201 4.230 1.00 0.00 C ATOM 903 C ASP A 59 -11.392 -8.226 3.092 1.00 0.00 C ATOM 904 O ASP A 59 -11.834 -8.416 1.957 1.00 0.00 O ATOM 905 CB ASP A 59 -12.827 -8.618 5.104 1.00 0.00 C ATOM 906 CG ASP A 59 -13.469 -9.661 5.996 1.00 0.00 C ATOM 907 OD1 ASP A 59 -12.977 -9.858 7.127 1.00 0.00 O ATOM 908 OD2 ASP A 59 -14.464 -10.280 5.566 1.00 0.00 O ATOM 0 H ASP A 59 -10.679 -9.411 6.055 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.047 -10.140 3.787 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.419 -7.818 5.721 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.589 -8.171 4.466 1.00 0.00 H new ATOM 913 N ASP A 60 -10.598 -7.202 3.409 1.00 0.00 N ATOM 914 CA ASP A 60 -10.185 -6.210 2.424 1.00 0.00 C ATOM 915 C ASP A 60 -8.878 -5.515 2.847 1.00 0.00 C ATOM 916 O ASP A 60 -8.626 -4.367 2.469 1.00 0.00 O ATOM 917 CB ASP A 60 -11.302 -5.187 2.199 1.00 0.00 C ATOM 918 CG ASP A 60 -12.328 -5.673 1.194 1.00 0.00 C ATOM 919 OD1 ASP A 60 -11.925 -6.060 0.078 1.00 0.00 O ATOM 920 OD2 ASP A 60 -13.532 -5.670 1.525 1.00 0.00 O ATOM 0 H ASP A 60 -10.228 -7.041 4.346 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.993 -6.724 1.482 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.796 -4.976 3.147 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.869 -4.250 1.850 1.00 0.00 H new ATOM 925 N SER A 61 -8.037 -6.232 3.612 1.00 0.00 N ATOM 926 CA SER A 61 -6.748 -5.709 4.063 1.00 0.00 C ATOM 927 C SER A 61 -5.649 -6.262 3.163 1.00 0.00 C ATOM 928 O SER A 61 -5.723 -7.422 2.734 1.00 0.00 O ATOM 929 CB SER A 61 -6.487 -6.095 5.520 1.00 0.00 C ATOM 930 OG SER A 61 -5.407 -5.355 6.062 1.00 0.00 O ATOM 0 H SER A 61 -8.234 -7.181 3.930 1.00 0.00 H new ATOM 0 HA SER A 61 -6.759 -4.621 4.003 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.385 -5.919 6.112 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.268 -7.161 5.583 1.00 0.00 H new ATOM 0 HG SER A 61 -5.436 -4.437 5.721 1.00 0.00 H new ATOM 936 N SER A 62 -4.655 -5.428 2.844 1.00 0.00 N ATOM 937 CA SER A 62 -3.574 -5.845 1.945 1.00 0.00 C ATOM 938 C SER A 62 -2.252 -5.175 2.303 1.00 0.00 C ATOM 939 O SER A 62 -2.201 -3.962 2.513 1.00 0.00 O ATOM 940 CB SER A 62 -3.964 -5.521 0.499 1.00 0.00 C ATOM 941 OG SER A 62 -5.367 -5.611 0.325 1.00 0.00 O ATOM 0 H SER A 62 -4.576 -4.472 3.190 1.00 0.00 H new ATOM 0 HA SER A 62 -3.431 -6.920 2.055 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.625 -4.518 0.242 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.464 -6.211 -0.181 1.00 0.00 H new ATOM 0 HG SER A 62 -5.575 -5.670 -0.631 1.00 0.00 H new ATOM 947 N THR A 63 -1.183 -5.980 2.374 1.00 0.00 N ATOM 948 CA THR A 63 0.147 -5.484 2.718 1.00 0.00 C ATOM 949 C THR A 63 1.013 -5.247 1.478 1.00 0.00 C ATOM 950 O THR A 63 0.958 -6.009 0.505 1.00 0.00 O ATOM 951 CB THR A 63 0.850 -6.473 3.655 1.00 0.00 C ATOM 952 OG1 THR A 63 -0.078 -7.079 4.539 1.00 0.00 O ATOM 953 CG2 THR A 63 1.933 -5.836 4.498 1.00 0.00 C ATOM 0 H THR A 63 -1.220 -6.984 2.196 1.00 0.00 H new ATOM 0 HA THR A 63 0.016 -4.525 3.220 1.00 0.00 H new ATOM 0 HB THR A 63 1.309 -7.211 2.997 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.392 -7.707 5.126 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.389 -6.592 5.137 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.694 -5.405 3.848 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.498 -5.052 5.117 1.00 0.00 H new ATOM 961 N LEU A 64 1.828 -4.191 1.544 1.00 0.00 N ATOM 962 CA LEU A 64 2.746 -3.819 0.478 1.00 0.00 C ATOM 963 C LEU A 64 4.160 -4.177 0.912 1.00 0.00 C ATOM 964 O LEU A 64 4.820 -3.384 1.591 1.00 0.00 O ATOM 965 CB LEU A 64 2.651 -2.304 0.213 1.00 0.00 C ATOM 966 CG LEU A 64 3.253 -1.729 -1.103 1.00 0.00 C ATOM 967 CD1 LEU A 64 4.186 -0.553 -0.802 1.00 0.00 C ATOM 968 CD2 LEU A 64 3.972 -2.783 -1.948 1.00 0.00 C ATOM 0 H LEU A 64 1.865 -3.567 2.350 1.00 0.00 H new ATOM 0 HA LEU A 64 2.490 -4.352 -0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.596 -2.031 0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.133 -1.793 1.046 1.00 0.00 H new ATOM 0 HG LEU A 64 2.411 -1.376 -1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.596 -0.166 -1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.627 0.235 -0.297 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.000 -0.889 -0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.368 -2.317 -2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.791 -3.214 -1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.269 -3.569 -2.224 1.00 0.00 H new ATOM 980 N THR A 65 4.607 -5.380 0.545 1.00 0.00 N ATOM 981 CA THR A 65 5.939 -5.851 0.925 1.00 0.00 C ATOM 982 C THR A 65 6.992 -5.348 -0.060 1.00 0.00 C ATOM 983 O THR A 65 6.783 -5.366 -1.273 1.00 0.00 O ATOM 984 CB THR A 65 5.980 -7.399 1.051 1.00 0.00 C ATOM 985 OG1 THR A 65 4.691 -7.971 0.887 1.00 0.00 O ATOM 986 CG2 THR A 65 6.498 -7.874 2.394 1.00 0.00 C ATOM 0 H THR A 65 4.068 -6.043 -0.013 1.00 0.00 H new ATOM 0 HA THR A 65 6.171 -5.439 1.907 1.00 0.00 H new ATOM 0 HB THR A 65 6.659 -7.720 0.261 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.535 -8.160 -0.062 1.00 0.00 H new ATOM 0 HG21 THR A 65 6.502 -8.964 2.418 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.512 -7.504 2.544 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.853 -7.496 3.187 1.00 0.00 H new ATOM 994 N ILE A 66 8.124 -4.894 0.480 1.00 0.00 N ATOM 995 CA ILE A 66 9.232 -4.379 -0.322 1.00 0.00 C ATOM 996 C ILE A 66 10.538 -4.966 0.210 1.00 0.00 C ATOM 997 O ILE A 66 11.147 -4.410 1.123 1.00 0.00 O ATOM 998 CB ILE A 66 9.282 -2.826 -0.289 1.00 0.00 C ATOM 999 CG1 ILE A 66 7.932 -2.247 -0.737 1.00 0.00 C ATOM 1000 CG2 ILE A 66 10.420 -2.281 -1.161 1.00 0.00 C ATOM 1001 CD1 ILE A 66 7.758 -0.781 -0.406 1.00 0.00 C ATOM 0 H ILE A 66 8.297 -4.873 1.485 1.00 0.00 H new ATOM 0 HA ILE A 66 9.086 -4.676 -1.361 1.00 0.00 H new ATOM 0 HB ILE A 66 9.479 -2.515 0.737 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.828 -2.382 -1.814 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.129 -2.814 -0.266 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.425 -1.192 -1.114 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.373 -2.664 -0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.272 -2.599 -2.193 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.781 -0.443 -0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.829 -0.641 0.673 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.538 -0.202 -0.899 1.00 0.00 H new ATOM 1013 N TYR A 67 10.939 -6.113 -0.353 1.00 0.00 N ATOM 1014 CA TYR A 67 12.157 -6.816 0.074 1.00 0.00 C ATOM 1015 C TYR A 67 13.416 -5.930 -0.120 1.00 0.00 C ATOM 1016 O TYR A 67 13.554 -4.931 0.583 1.00 0.00 O ATOM 1017 CB TYR A 67 12.245 -8.191 -0.636 1.00 0.00 C ATOM 1018 CG TYR A 67 10.946 -8.986 -0.614 1.00 0.00 C ATOM 1019 CD1 TYR A 67 10.196 -9.112 0.552 1.00 0.00 C ATOM 1020 CD2 TYR A 67 10.466 -9.599 -1.767 1.00 0.00 C ATOM 1021 CE1 TYR A 67 9.010 -9.822 0.566 1.00 0.00 C ATOM 1022 CE2 TYR A 67 9.282 -10.311 -1.759 1.00 0.00 C ATOM 1023 CZ TYR A 67 8.559 -10.419 -0.592 1.00 0.00 C ATOM 1024 OH TYR A 67 7.378 -11.125 -0.582 1.00 0.00 O ATOM 0 H TYR A 67 10.435 -6.576 -1.109 1.00 0.00 H new ATOM 0 HA TYR A 67 12.109 -7.015 1.145 1.00 0.00 H new ATOM 0 HB2 TYR A 67 12.545 -8.034 -1.672 1.00 0.00 H new ATOM 0 HB3 TYR A 67 13.029 -8.783 -0.163 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.547 -8.647 1.461 1.00 0.00 H new ATOM 0 HD2 TYR A 67 11.029 -9.517 -2.685 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.440 -9.909 1.479 1.00 0.00 H new ATOM 0 HE2 TYR A 67 8.925 -10.781 -2.664 1.00 0.00 H new ATOM 0 HH TYR A 67 7.202 -11.481 -1.478 1.00 0.00 H new ATOM 1034 N ASN A 68 14.335 -6.263 -1.052 1.00 0.00 N ATOM 1035 CA ASN A 68 15.545 -5.449 -1.280 1.00 0.00 C ATOM 1036 C ASN A 68 15.177 -3.979 -1.539 1.00 0.00 C ATOM 1037 O ASN A 68 14.841 -3.603 -2.664 1.00 0.00 O ATOM 1038 CB ASN A 68 16.359 -6.010 -2.456 1.00 0.00 C ATOM 1039 CG ASN A 68 17.857 -5.823 -2.271 1.00 0.00 C ATOM 1040 OD1 ASN A 68 18.612 -6.794 -2.239 1.00 0.00 O ATOM 1041 ND2 ASN A 68 18.300 -4.571 -2.151 1.00 0.00 N ATOM 0 H ASN A 68 14.262 -7.084 -1.654 1.00 0.00 H new ATOM 0 HA ASN A 68 16.157 -5.495 -0.379 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.140 -7.072 -2.571 1.00 0.00 H new ATOM 0 HB3 ASN A 68 16.046 -5.519 -3.377 1.00 0.00 H new ATOM 0 HD21 ASN A 68 19.297 -4.392 -2.028 1.00 0.00 H new ATOM 0 HD22 ASN A 68 17.642 -3.792 -2.183 1.00 0.00 H new ATOM 1048 N ALA A 69 15.216 -3.170 -0.475 1.00 0.00 N ATOM 1049 CA ALA A 69 14.858 -1.756 -0.560 1.00 0.00 C ATOM 1050 C ALA A 69 15.955 -0.926 -1.223 1.00 0.00 C ATOM 1051 O ALA A 69 17.139 -1.090 -0.924 1.00 0.00 O ATOM 1052 CB ALA A 69 14.534 -1.210 0.829 1.00 0.00 C ATOM 0 H ALA A 69 15.494 -3.475 0.458 1.00 0.00 H new ATOM 0 HA ALA A 69 13.972 -1.677 -1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.269 -0.156 0.753 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.697 -1.765 1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.405 -1.319 1.475 1.00 0.00 H new ATOM 1058 N ASN A 70 15.541 -0.019 -2.115 1.00 0.00 N ATOM 1059 CA ASN A 70 16.459 0.868 -2.822 1.00 0.00 C ATOM 1060 C ASN A 70 15.940 2.306 -2.778 1.00 0.00 C ATOM 1061 O ASN A 70 14.727 2.547 -2.680 1.00 0.00 O ATOM 1062 CB ASN A 70 16.627 0.413 -4.277 1.00 0.00 C ATOM 1063 CG ASN A 70 17.067 -1.037 -4.390 1.00 0.00 C ATOM 1064 OD1 ASN A 70 18.257 -1.328 -4.515 1.00 0.00 O ATOM 1065 ND2 ASN A 70 16.108 -1.962 -4.345 1.00 0.00 N ATOM 0 H ASN A 70 14.561 0.117 -2.364 1.00 0.00 H new ATOM 0 HA ASN A 70 17.431 0.828 -2.329 1.00 0.00 H new ATOM 0 HB2 ASN A 70 15.683 0.544 -4.806 1.00 0.00 H new ATOM 0 HB3 ASN A 70 17.360 1.051 -4.771 1.00 0.00 H new ATOM 0 HD21 ASN A 70 16.349 -2.951 -4.415 1.00 0.00 H new ATOM 0 HD22 ASN A 70 15.133 -1.681 -4.241 1.00 0.00 H new ATOM 1072 N ILE A 71 16.858 3.276 -2.853 1.00 0.00 N ATOM 1073 CA ILE A 71 16.482 4.698 -2.818 1.00 0.00 C ATOM 1074 C ILE A 71 15.388 5.047 -3.846 1.00 0.00 C ATOM 1075 O ILE A 71 14.631 6.000 -3.648 1.00 0.00 O ATOM 1076 CB ILE A 71 17.701 5.625 -3.029 1.00 0.00 C ATOM 1077 CG1 ILE A 71 18.496 5.215 -4.277 1.00 0.00 C ATOM 1078 CG2 ILE A 71 18.589 5.608 -1.793 1.00 0.00 C ATOM 1079 CD1 ILE A 71 19.612 6.177 -4.632 1.00 0.00 C ATOM 0 H ILE A 71 17.860 3.107 -2.938 1.00 0.00 H new ATOM 0 HA ILE A 71 16.079 4.867 -1.820 1.00 0.00 H new ATOM 0 HB ILE A 71 17.339 6.641 -3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 71 18.920 4.224 -4.117 1.00 0.00 H new ATOM 0 HG13 ILE A 71 17.813 5.137 -5.123 1.00 0.00 H new ATOM 0 HG21 ILE A 71 19.445 6.264 -1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.020 5.956 -0.931 1.00 0.00 H new ATOM 0 HG23 ILE A 71 18.939 4.592 -1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 71 20.129 5.822 -5.524 1.00 0.00 H new ATOM 0 HD12 ILE A 71 19.193 7.165 -4.824 1.00 0.00 H new ATOM 0 HD13 ILE A 71 20.318 6.237 -3.804 1.00 0.00 H new ATOM 1091 N ASP A 72 15.295 4.254 -4.926 1.00 0.00 N ATOM 1092 CA ASP A 72 14.276 4.468 -5.958 1.00 0.00 C ATOM 1093 C ASP A 72 12.881 4.160 -5.405 1.00 0.00 C ATOM 1094 O ASP A 72 11.940 4.926 -5.620 1.00 0.00 O ATOM 1095 CB ASP A 72 14.559 3.593 -7.184 1.00 0.00 C ATOM 1096 CG ASP A 72 15.807 4.031 -7.926 1.00 0.00 C ATOM 1097 OD1 ASP A 72 15.867 5.206 -8.344 1.00 0.00 O ATOM 1098 OD2 ASP A 72 16.724 3.199 -8.087 1.00 0.00 O ATOM 0 H ASP A 72 15.913 3.462 -5.104 1.00 0.00 H new ATOM 0 HA ASP A 72 14.311 5.515 -6.260 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.671 2.555 -6.869 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.705 3.631 -7.860 1.00 0.00 H new ATOM 1103 N ASP A 73 12.761 3.039 -4.674 1.00 0.00 N ATOM 1104 CA ASP A 73 11.491 2.630 -4.071 1.00 0.00 C ATOM 1105 C ASP A 73 11.046 3.634 -3.010 1.00 0.00 C ATOM 1106 O ASP A 73 9.850 3.890 -2.859 1.00 0.00 O ATOM 1107 CB ASP A 73 11.614 1.234 -3.441 1.00 0.00 C ATOM 1108 CG ASP A 73 11.577 0.102 -4.462 1.00 0.00 C ATOM 1109 OD1 ASP A 73 11.614 0.380 -5.682 1.00 0.00 O ATOM 1110 OD2 ASP A 73 11.515 -1.070 -4.036 1.00 0.00 O ATOM 0 H ASP A 73 13.535 2.401 -4.489 1.00 0.00 H new ATOM 0 HA ASP A 73 10.742 2.598 -4.862 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.547 1.177 -2.881 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.804 1.094 -2.725 1.00 0.00 H new ATOM 1115 N ALA A 74 12.016 4.209 -2.276 1.00 0.00 N ATOM 1116 CA ALA A 74 11.714 5.201 -1.221 1.00 0.00 C ATOM 1117 C ALA A 74 10.778 6.315 -1.711 1.00 0.00 C ATOM 1118 O ALA A 74 11.121 7.061 -2.632 1.00 0.00 O ATOM 1119 CB ALA A 74 13.002 5.811 -0.682 1.00 0.00 C ATOM 0 H ALA A 74 13.009 4.008 -2.390 1.00 0.00 H new ATOM 0 HA ALA A 74 11.197 4.666 -0.424 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.763 6.539 0.093 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.629 5.025 -0.261 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.537 6.306 -1.492 1.00 0.00 H new ATOM 1125 N GLY A 75 9.601 6.410 -1.084 1.00 0.00 N ATOM 1126 CA GLY A 75 8.628 7.423 -1.455 1.00 0.00 C ATOM 1127 C GLY A 75 7.282 7.187 -0.799 1.00 0.00 C ATOM 1128 O GLY A 75 7.102 6.188 -0.097 1.00 0.00 O ATOM 0 H GLY A 75 9.307 5.798 -0.323 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.002 8.406 -1.170 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.507 7.429 -2.538 1.00 0.00 H new ATOM 1132 N ILE A 76 6.339 8.106 -1.020 1.00 0.00 N ATOM 1133 CA ILE A 76 5.006 7.992 -0.436 1.00 0.00 C ATOM 1134 C ILE A 76 4.121 7.062 -1.272 1.00 0.00 C ATOM 1135 O ILE A 76 3.593 7.467 -2.311 1.00 0.00 O ATOM 1136 CB ILE A 76 4.329 9.385 -0.278 1.00 0.00 C ATOM 1137 CG1 ILE A 76 5.257 10.320 0.527 1.00 0.00 C ATOM 1138 CG2 ILE A 76 2.959 9.255 0.398 1.00 0.00 C ATOM 1139 CD1 ILE A 76 4.679 11.688 0.843 1.00 0.00 C ATOM 0 H ILE A 76 6.476 8.935 -1.598 1.00 0.00 H new ATOM 0 HA ILE A 76 5.123 7.561 0.558 1.00 0.00 H new ATOM 0 HB ILE A 76 4.165 9.814 -1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.518 9.828 1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.184 10.455 -0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.507 10.242 0.497 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.313 8.619 -0.208 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.081 8.812 1.386 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.407 12.268 1.410 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.445 12.208 -0.086 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.769 11.571 1.432 1.00 0.00 H new ATOM 1151 N TYR A 77 3.953 5.821 -0.796 1.00 0.00 N ATOM 1152 CA TYR A 77 3.113 4.843 -1.487 1.00 0.00 C ATOM 1153 C TYR A 77 1.639 5.177 -1.254 1.00 0.00 C ATOM 1154 O TYR A 77 1.323 6.060 -0.449 1.00 0.00 O ATOM 1155 CB TYR A 77 3.423 3.423 -1.002 1.00 0.00 C ATOM 1156 CG TYR A 77 4.763 2.886 -1.458 1.00 0.00 C ATOM 1157 CD1 TYR A 77 5.931 3.314 -0.849 1.00 0.00 C ATOM 1158 CD2 TYR A 77 4.860 1.941 -2.474 1.00 0.00 C ATOM 1159 CE1 TYR A 77 7.165 2.821 -1.235 1.00 0.00 C ATOM 1160 CE2 TYR A 77 6.090 1.437 -2.866 1.00 0.00 C ATOM 1161 CZ TYR A 77 7.237 1.881 -2.242 1.00 0.00 C ATOM 1162 OH TYR A 77 8.461 1.383 -2.627 1.00 0.00 O ATOM 0 H TYR A 77 4.386 5.475 0.060 1.00 0.00 H new ATOM 0 HA TYR A 77 3.326 4.888 -2.555 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.391 3.409 0.087 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.638 2.753 -1.352 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.878 4.047 -0.057 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.963 1.595 -2.965 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.065 3.170 -0.751 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.150 0.702 -3.655 1.00 0.00 H new ATOM 0 HH TYR A 77 9.050 2.124 -2.882 1.00 0.00 H new ATOM 1172 N LYS A 78 0.737 4.486 -1.964 1.00 0.00 N ATOM 1173 CA LYS A 78 -0.705 4.738 -1.833 1.00 0.00 C ATOM 1174 C LYS A 78 -1.503 3.444 -1.676 1.00 0.00 C ATOM 1175 O LYS A 78 -1.072 2.379 -2.114 1.00 0.00 O ATOM 1176 CB LYS A 78 -1.217 5.518 -3.057 1.00 0.00 C ATOM 1177 CG LYS A 78 -2.012 6.767 -2.706 1.00 0.00 C ATOM 1178 CD LYS A 78 -2.339 7.592 -3.943 1.00 0.00 C ATOM 1179 CE LYS A 78 -1.082 8.129 -4.611 1.00 0.00 C ATOM 1180 NZ LYS A 78 -1.355 9.362 -5.399 1.00 0.00 N ATOM 0 H LYS A 78 0.978 3.753 -2.631 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.851 5.329 -0.929 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.366 5.803 -3.675 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.842 4.859 -3.660 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.937 6.481 -2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.443 7.375 -2.003 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.894 6.979 -4.653 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.987 8.423 -3.665 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.330 8.343 -3.851 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.664 7.365 -5.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.473 9.696 -5.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.053 9.152 -6.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.730 10.100 -4.770 1.00 0.00 H new ATOM 1194 N CYS A 79 -2.692 3.570 -1.079 1.00 0.00 N ATOM 1195 CA CYS A 79 -3.600 2.445 -0.875 1.00 0.00 C ATOM 1196 C CYS A 79 -5.038 2.905 -1.121 1.00 0.00 C ATOM 1197 O CYS A 79 -5.602 3.641 -0.307 1.00 0.00 O ATOM 1198 CB CYS A 79 -3.458 1.886 0.546 1.00 0.00 C ATOM 1199 SG CYS A 79 -4.241 0.256 0.789 1.00 0.00 S ATOM 0 H CYS A 79 -3.049 4.457 -0.724 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.347 1.651 -1.578 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.398 1.808 0.790 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.895 2.595 1.249 1.00 0.00 H new ATOM 1204 N VAL A 80 -5.612 2.505 -2.264 1.00 0.00 N ATOM 1205 CA VAL A 80 -6.976 2.916 -2.637 1.00 0.00 C ATOM 1206 C VAL A 80 -7.973 1.755 -2.553 1.00 0.00 C ATOM 1207 O VAL A 80 -7.646 0.617 -2.881 1.00 0.00 O ATOM 1208 CB VAL A 80 -7.029 3.497 -4.079 1.00 0.00 C ATOM 1209 CG1 VAL A 80 -8.342 4.241 -4.322 1.00 0.00 C ATOM 1210 CG2 VAL A 80 -5.843 4.421 -4.354 1.00 0.00 C ATOM 0 H VAL A 80 -5.156 1.899 -2.946 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.257 3.686 -1.918 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.972 2.655 -4.769 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.353 4.637 -5.337 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -9.179 3.555 -4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.432 5.062 -3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.912 4.809 -5.370 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.857 5.251 -3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.913 3.863 -4.241 1.00 0.00 H new ATOM 1220 N VAL A 81 -9.209 2.079 -2.149 1.00 0.00 N ATOM 1221 CA VAL A 81 -10.300 1.107 -2.054 1.00 0.00 C ATOM 1222 C VAL A 81 -11.511 1.680 -2.794 1.00 0.00 C ATOM 1223 O VAL A 81 -11.864 2.835 -2.575 1.00 0.00 O ATOM 1224 CB VAL A 81 -10.618 0.731 -0.550 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -12.039 1.092 -0.088 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -10.374 -0.759 -0.309 1.00 0.00 C ATOM 0 H VAL A 81 -9.478 3.025 -1.879 1.00 0.00 H new ATOM 0 HA VAL A 81 -10.010 0.168 -2.525 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.936 1.338 0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -12.168 0.799 0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -12.191 2.167 -0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -12.767 0.566 -0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.597 -1.001 0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -11.019 -1.344 -0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -9.331 -0.996 -0.521 1.00 0.00 H new ATOM 1236 N THR A 82 -12.127 0.890 -3.681 1.00 0.00 N ATOM 1237 CA THR A 82 -13.286 1.376 -4.454 1.00 0.00 C ATOM 1238 C THR A 82 -14.602 0.716 -4.046 1.00 0.00 C ATOM 1239 O THR A 82 -14.631 -0.445 -3.644 1.00 0.00 O ATOM 1240 CB THR A 82 -13.055 1.179 -5.948 1.00 0.00 C ATOM 1241 OG1 THR A 82 -11.686 1.345 -6.275 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.852 2.149 -6.788 1.00 0.00 C ATOM 0 H THR A 82 -11.853 -0.072 -3.882 1.00 0.00 H new ATOM 0 HA THR A 82 -13.376 2.439 -4.229 1.00 0.00 H new ATOM 0 HB THR A 82 -13.383 0.163 -6.169 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.561 1.212 -7.238 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.651 1.966 -7.844 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.915 2.012 -6.592 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.565 3.170 -6.536 1.00 0.00 H new ATOM 1250 N ALA A 83 -15.700 1.480 -4.161 1.00 0.00 N ATOM 1251 CA ALA A 83 -17.034 0.986 -3.809 1.00 0.00 C ATOM 1252 C ALA A 83 -17.760 0.406 -5.026 1.00 0.00 C ATOM 1253 O ALA A 83 -17.208 0.372 -6.128 1.00 0.00 O ATOM 1254 CB ALA A 83 -17.855 2.103 -3.186 1.00 0.00 C ATOM 0 H ALA A 83 -15.686 2.443 -4.496 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.913 0.181 -3.084 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.845 1.727 -2.928 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.357 2.462 -2.285 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -17.953 2.923 -3.898 1.00 0.00 H new ATOM 1260 N GLU A 84 -19.002 -0.054 -4.813 1.00 0.00 N ATOM 1261 CA GLU A 84 -19.809 -0.639 -5.888 1.00 0.00 C ATOM 1262 C GLU A 84 -20.334 0.440 -6.833 1.00 0.00 C ATOM 1263 O GLU A 84 -20.399 0.231 -8.046 1.00 0.00 O ATOM 1264 CB GLU A 84 -20.986 -1.438 -5.312 1.00 0.00 C ATOM 1265 CG GLU A 84 -21.836 -0.661 -4.316 1.00 0.00 C ATOM 1266 CD GLU A 84 -23.156 -1.345 -4.018 1.00 0.00 C ATOM 1267 OE1 GLU A 84 -23.179 -2.593 -3.949 1.00 0.00 O ATOM 1268 OE2 GLU A 84 -24.170 -0.634 -3.853 1.00 0.00 O ATOM 0 H GLU A 84 -19.467 -0.031 -3.905 1.00 0.00 H new ATOM 0 HA GLU A 84 -19.164 -1.313 -6.452 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -21.621 -1.772 -6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -20.600 -2.333 -4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -21.278 -0.536 -3.388 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -22.029 0.337 -4.709 1.00 0.00 H new ATOM 1275 N ASP A 85 -20.704 1.591 -6.267 1.00 0.00 N ATOM 1276 CA ASP A 85 -21.222 2.708 -7.054 1.00 0.00 C ATOM 1277 C ASP A 85 -20.088 3.521 -7.685 1.00 0.00 C ATOM 1278 O ASP A 85 -20.259 4.093 -8.764 1.00 0.00 O ATOM 1279 CB ASP A 85 -22.099 3.615 -6.183 1.00 0.00 C ATOM 1280 CG ASP A 85 -21.380 4.121 -4.946 1.00 0.00 C ATOM 1281 OD1 ASP A 85 -21.362 3.394 -3.929 1.00 0.00 O ATOM 1282 OD2 ASP A 85 -20.838 5.245 -4.992 1.00 0.00 O ATOM 0 H ASP A 85 -20.654 1.772 -5.264 1.00 0.00 H new ATOM 0 HA ASP A 85 -21.828 2.293 -7.859 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -22.434 4.466 -6.776 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -22.991 3.067 -5.880 1.00 0.00 H new ATOM 1287 N GLY A 86 -18.934 3.573 -7.003 1.00 0.00 N ATOM 1288 CA GLY A 86 -17.785 4.323 -7.501 1.00 0.00 C ATOM 1289 C GLY A 86 -17.023 5.058 -6.403 1.00 0.00 C ATOM 1290 O GLY A 86 -15.878 5.463 -6.616 1.00 0.00 O ATOM 0 H GLY A 86 -18.778 3.105 -6.110 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -17.106 3.639 -8.009 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -18.125 5.045 -8.243 1.00 0.00 H new ATOM 1294 N THR A 87 -17.648 5.226 -5.224 1.00 0.00 N ATOM 1295 CA THR A 87 -17.015 5.911 -4.090 1.00 0.00 C ATOM 1296 C THR A 87 -15.718 5.211 -3.673 1.00 0.00 C ATOM 1297 O THR A 87 -15.752 4.114 -3.118 1.00 0.00 O ATOM 1298 CB THR A 87 -17.987 5.973 -2.900 1.00 0.00 C ATOM 1299 OG1 THR A 87 -19.200 6.596 -3.279 1.00 0.00 O ATOM 1300 CG2 THR A 87 -17.444 6.722 -1.701 1.00 0.00 C ATOM 0 H THR A 87 -18.594 4.894 -5.035 1.00 0.00 H new ATOM 0 HA THR A 87 -16.767 6.925 -4.404 1.00 0.00 H new ATOM 0 HB THR A 87 -18.142 4.934 -2.610 1.00 0.00 H new ATOM 0 HG1 THR A 87 -19.720 5.985 -3.842 1.00 0.00 H new ATOM 0 HG21 THR A 87 -18.188 6.722 -0.904 1.00 0.00 H new ATOM 0 HG22 THR A 87 -16.535 6.235 -1.349 1.00 0.00 H new ATOM 0 HG23 THR A 87 -17.218 7.750 -1.986 1.00 0.00 H new ATOM 1308 N GLN A 88 -14.580 5.868 -3.930 1.00 0.00 N ATOM 1309 CA GLN A 88 -13.269 5.320 -3.569 1.00 0.00 C ATOM 1310 C GLN A 88 -12.523 6.256 -2.614 1.00 0.00 C ATOM 1311 O GLN A 88 -12.457 7.465 -2.841 1.00 0.00 O ATOM 1312 CB GLN A 88 -12.393 5.051 -4.800 1.00 0.00 C ATOM 1313 CG GLN A 88 -12.393 6.159 -5.845 1.00 0.00 C ATOM 1314 CD GLN A 88 -11.027 6.792 -6.061 1.00 0.00 C ATOM 1315 OE1 GLN A 88 -10.878 8.012 -5.981 1.00 0.00 O ATOM 1316 NE2 GLN A 88 -10.023 5.966 -6.335 1.00 0.00 N ATOM 0 H GLN A 88 -14.542 6.779 -4.386 1.00 0.00 H new ATOM 0 HA GLN A 88 -13.461 4.370 -3.071 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -11.368 4.885 -4.468 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -12.729 4.128 -5.272 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -12.750 5.754 -6.792 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -13.099 6.932 -5.542 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.190 4.961 -6.392 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.085 6.336 -6.488 1.00 0.00 H new ATOM 1325 N SER A 89 -11.946 5.677 -1.558 1.00 0.00 N ATOM 1326 CA SER A 89 -11.174 6.424 -0.563 1.00 0.00 C ATOM 1327 C SER A 89 -9.769 5.842 -0.507 1.00 0.00 C ATOM 1328 O SER A 89 -9.614 4.623 -0.492 1.00 0.00 O ATOM 1329 CB SER A 89 -11.836 6.331 0.813 1.00 0.00 C ATOM 1330 OG SER A 89 -11.142 7.118 1.766 1.00 0.00 O ATOM 0 H SER A 89 -12.001 4.676 -1.369 1.00 0.00 H new ATOM 0 HA SER A 89 -11.133 7.476 -0.846 1.00 0.00 H new ATOM 0 HB2 SER A 89 -12.871 6.665 0.745 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.857 5.292 1.141 1.00 0.00 H new ATOM 0 HG SER A 89 -11.585 7.043 2.637 1.00 0.00 H new ATOM 1336 N GLU A 90 -8.745 6.704 -0.517 1.00 0.00 N ATOM 1337 CA GLU A 90 -7.353 6.236 -0.512 1.00 0.00 C ATOM 1338 C GLU A 90 -6.569 6.667 0.735 1.00 0.00 C ATOM 1339 O GLU A 90 -7.100 7.328 1.629 1.00 0.00 O ATOM 1340 CB GLU A 90 -6.646 6.735 -1.783 1.00 0.00 C ATOM 1341 CG GLU A 90 -6.460 8.247 -1.847 1.00 0.00 C ATOM 1342 CD GLU A 90 -6.440 8.789 -3.266 1.00 0.00 C ATOM 1343 OE1 GLU A 90 -6.006 8.055 -4.181 1.00 0.00 O ATOM 1344 OE2 GLU A 90 -6.856 9.951 -3.462 1.00 0.00 O ATOM 0 H GLU A 90 -8.851 7.718 -0.528 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.380 5.147 -0.491 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.669 6.258 -1.852 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.219 6.414 -2.653 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.265 8.729 -1.292 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.527 8.513 -1.350 1.00 0.00 H new ATOM 1351 N ALA A 91 -5.287 6.282 0.758 1.00 0.00 N ATOM 1352 CA ALA A 91 -4.380 6.607 1.852 1.00 0.00 C ATOM 1353 C ALA A 91 -2.949 6.707 1.327 1.00 0.00 C ATOM 1354 O ALA A 91 -2.693 6.410 0.157 1.00 0.00 O ATOM 1355 CB ALA A 91 -4.467 5.553 2.950 1.00 0.00 C ATOM 0 H ALA A 91 -4.854 5.735 0.014 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.672 7.568 2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.783 5.812 3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.486 5.513 3.336 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.194 4.580 2.542 1.00 0.00 H new ATOM 1361 N THR A 92 -2.017 7.121 2.190 1.00 0.00 N ATOM 1362 CA THR A 92 -0.611 7.248 1.800 1.00 0.00 C ATOM 1363 C THR A 92 0.309 6.874 2.956 1.00 0.00 C ATOM 1364 O THR A 92 -0.084 6.957 4.123 1.00 0.00 O ATOM 1365 CB THR A 92 -0.302 8.677 1.317 1.00 0.00 C ATOM 1366 OG1 THR A 92 -1.156 9.626 1.937 1.00 0.00 O ATOM 1367 CG2 THR A 92 -0.435 8.841 -0.184 1.00 0.00 C ATOM 0 H THR A 92 -2.210 7.373 3.159 1.00 0.00 H new ATOM 0 HA THR A 92 -0.431 6.558 0.976 1.00 0.00 H new ATOM 0 HB THR A 92 0.737 8.853 1.597 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.936 10.524 1.613 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.204 9.870 -0.459 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.258 8.167 -0.687 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.455 8.605 -0.487 1.00 0.00 H new ATOM 1375 N VAL A 93 1.538 6.468 2.620 1.00 0.00 N ATOM 1376 CA VAL A 93 2.528 6.086 3.621 1.00 0.00 C ATOM 1377 C VAL A 93 3.920 6.583 3.224 1.00 0.00 C ATOM 1378 O VAL A 93 4.472 6.147 2.210 1.00 0.00 O ATOM 1379 CB VAL A 93 2.544 4.546 3.831 1.00 0.00 C ATOM 1380 CG1 VAL A 93 2.855 3.811 2.527 1.00 0.00 C ATOM 1381 CG2 VAL A 93 3.518 4.141 4.942 1.00 0.00 C ATOM 0 H VAL A 93 1.868 6.397 1.657 1.00 0.00 H new ATOM 0 HA VAL A 93 2.248 6.556 4.564 1.00 0.00 H new ATOM 0 HB VAL A 93 1.544 4.250 4.148 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.859 2.736 2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.095 4.052 1.784 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.833 4.121 2.159 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.503 3.058 5.062 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.525 4.463 4.678 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.219 4.613 5.878 1.00 0.00 H new ATOM 1391 N ASN A 94 4.477 7.490 4.035 1.00 0.00 N ATOM 1392 CA ASN A 94 5.803 8.038 3.781 1.00 0.00 C ATOM 1393 C ASN A 94 6.877 6.981 4.033 1.00 0.00 C ATOM 1394 O ASN A 94 7.290 6.762 5.176 1.00 0.00 O ATOM 1395 CB ASN A 94 6.056 9.272 4.657 1.00 0.00 C ATOM 1396 CG ASN A 94 6.989 10.272 3.996 1.00 0.00 C ATOM 1397 OD1 ASN A 94 6.553 11.321 3.521 1.00 0.00 O ATOM 1398 ND2 ASN A 94 8.283 9.956 3.960 1.00 0.00 N ATOM 0 H ASN A 94 4.025 7.857 4.872 1.00 0.00 H new ATOM 0 HA ASN A 94 5.851 8.341 2.735 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.106 9.758 4.878 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.482 8.957 5.609 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.952 10.593 3.528 1.00 0.00 H new ATOM 0 HD22 ASN A 94 8.605 9.077 4.365 1.00 0.00 H new ATOM 1405 N VAL A 95 7.325 6.329 2.955 1.00 0.00 N ATOM 1406 CA VAL A 95 8.358 5.294 3.044 1.00 0.00 C ATOM 1407 C VAL A 95 9.713 5.881 2.651 1.00 0.00 C ATOM 1408 O VAL A 95 9.808 6.631 1.677 1.00 0.00 O ATOM 1409 CB VAL A 95 8.045 4.071 2.139 1.00 0.00 C ATOM 1410 CG1 VAL A 95 8.988 2.914 2.454 1.00 0.00 C ATOM 1411 CG2 VAL A 95 6.589 3.626 2.298 1.00 0.00 C ATOM 0 H VAL A 95 6.987 6.501 2.008 1.00 0.00 H new ATOM 0 HA VAL A 95 8.381 4.946 4.077 1.00 0.00 H new ATOM 0 HB VAL A 95 8.198 4.375 1.103 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.753 2.067 1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 95 10.018 3.226 2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.868 2.621 3.497 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.398 2.768 1.653 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.405 3.348 3.336 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.926 4.445 2.019 1.00 0.00 H new ATOM 1421 N LYS A 96 10.753 5.547 3.423 1.00 0.00 N ATOM 1422 CA LYS A 96 12.103 6.052 3.172 1.00 0.00 C ATOM 1423 C LYS A 96 13.108 4.907 3.048 1.00 0.00 C ATOM 1424 O LYS A 96 12.928 3.843 3.645 1.00 0.00 O ATOM 1425 CB LYS A 96 12.523 7.007 4.307 1.00 0.00 C ATOM 1426 CG LYS A 96 12.268 8.485 3.993 1.00 0.00 C ATOM 1427 CD LYS A 96 11.442 9.176 5.074 1.00 0.00 C ATOM 1428 CE LYS A 96 12.323 9.750 6.173 1.00 0.00 C ATOM 1429 NZ LYS A 96 12.957 11.033 5.761 1.00 0.00 N ATOM 0 H LYS A 96 10.683 4.926 4.229 1.00 0.00 H new ATOM 0 HA LYS A 96 12.095 6.595 2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.982 6.739 5.215 1.00 0.00 H new ATOM 0 HB3 LYS A 96 13.584 6.866 4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 96 13.222 9.000 3.884 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.751 8.566 3.037 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.852 9.975 4.626 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.739 8.464 5.506 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.726 9.912 7.070 1.00 0.00 H new ATOM 0 HE3 LYS A 96 13.098 9.028 6.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 13.549 11.392 6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 13.547 10.874 4.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.218 11.730 5.539 1.00 0.00 H new ATOM 1443 N ILE A 97 14.181 5.153 2.289 1.00 0.00 N ATOM 1444 CA ILE A 97 15.246 4.170 2.102 1.00 0.00 C ATOM 1445 C ILE A 97 16.600 4.879 2.127 1.00 0.00 C ATOM 1446 O ILE A 97 16.931 5.645 1.221 1.00 0.00 O ATOM 1447 CB ILE A 97 15.080 3.329 0.807 1.00 0.00 C ATOM 1448 CG1 ILE A 97 13.639 2.767 0.732 1.00 0.00 C ATOM 1449 CG2 ILE A 97 16.124 2.205 0.782 1.00 0.00 C ATOM 1450 CD1 ILE A 97 13.385 1.773 -0.388 1.00 0.00 C ATOM 0 H ILE A 97 14.333 6.031 1.793 1.00 0.00 H new ATOM 0 HA ILE A 97 15.186 3.459 2.926 1.00 0.00 H new ATOM 0 HB ILE A 97 15.243 3.959 -0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 97 13.405 2.286 1.682 1.00 0.00 H new ATOM 0 HG13 ILE A 97 12.947 3.602 0.618 1.00 0.00 H new ATOM 0 HG21 ILE A 97 16.004 1.617 -0.128 1.00 0.00 H new ATOM 0 HG22 ILE A 97 17.124 2.637 0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.986 1.561 1.651 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.347 1.441 -0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.580 2.250 -1.349 1.00 0.00 H new ATOM 0 HD13 ILE A 97 14.045 0.914 -0.269 1.00 0.00 H new ATOM 1462 N PHE A 98 17.366 4.623 3.191 1.00 0.00 N ATOM 1463 CA PHE A 98 18.687 5.236 3.387 1.00 0.00 C ATOM 1464 C PHE A 98 19.790 4.191 3.210 1.00 0.00 C ATOM 1465 O PHE A 98 19.774 3.143 3.861 1.00 0.00 O ATOM 1466 CB PHE A 98 18.801 5.926 4.778 1.00 0.00 C ATOM 1467 CG PHE A 98 17.806 5.451 5.813 1.00 0.00 C ATOM 1468 CD1 PHE A 98 16.531 5.996 5.862 1.00 0.00 C ATOM 1469 CD2 PHE A 98 18.138 4.452 6.715 1.00 0.00 C ATOM 1470 CE1 PHE A 98 15.610 5.557 6.788 1.00 0.00 C ATOM 1471 CE2 PHE A 98 17.216 4.006 7.644 1.00 0.00 C ATOM 1472 CZ PHE A 98 15.950 4.562 7.679 1.00 0.00 C ATOM 0 H PHE A 98 17.091 3.987 3.940 1.00 0.00 H new ATOM 0 HA PHE A 98 18.810 6.009 2.629 1.00 0.00 H new ATOM 0 HB2 PHE A 98 19.808 5.766 5.164 1.00 0.00 H new ATOM 0 HB3 PHE A 98 18.678 7.001 4.644 1.00 0.00 H new ATOM 0 HD1 PHE A 98 16.257 6.774 5.165 1.00 0.00 H new ATOM 0 HD2 PHE A 98 19.127 4.018 6.692 1.00 0.00 H new ATOM 0 HE1 PHE A 98 14.622 5.992 6.816 1.00 0.00 H new ATOM 0 HE2 PHE A 98 17.484 3.225 8.341 1.00 0.00 H new ATOM 0 HZ PHE A 98 15.228 4.217 8.404 1.00 0.00 H new ATOM 1482 N GLN A 99 20.737 4.486 2.315 1.00 0.00 N ATOM 1483 CA GLN A 99 21.853 3.582 2.030 1.00 0.00 C ATOM 1484 C GLN A 99 23.063 3.896 2.917 1.00 0.00 C ATOM 1485 O GLN A 99 23.429 5.086 3.015 1.00 0.00 O ATOM 1486 CB GLN A 99 22.213 3.633 0.525 1.00 0.00 C ATOM 1487 CG GLN A 99 23.065 4.824 0.072 1.00 0.00 C ATOM 1488 CD GLN A 99 22.328 6.151 0.126 1.00 0.00 C ATOM 1489 OE1 GLN A 99 22.519 6.939 1.053 1.00 0.00 O ATOM 1490 NE2 GLN A 99 21.478 6.408 -0.866 1.00 0.00 N ATOM 1491 OXT GLN A 99 23.627 2.948 3.503 1.00 0.00 O ATOM 0 H GLN A 99 20.752 5.350 1.773 1.00 0.00 H new ATOM 0 HA GLN A 99 21.544 2.564 2.267 1.00 0.00 H new ATOM 0 HB2 GLN A 99 22.743 2.716 0.268 1.00 0.00 H new ATOM 0 HB3 GLN A 99 21.286 3.637 -0.049 1.00 0.00 H new ATOM 0 HG2 GLN A 99 23.953 4.885 0.700 1.00 0.00 H new ATOM 0 HG3 GLN A 99 23.407 4.649 -0.948 1.00 0.00 H new ATOM 0 HE21 GLN A 99 21.348 5.728 -1.616 1.00 0.00 H new ATOM 0 HE22 GLN A 99 20.956 7.284 -0.876 1.00 0.00 H new TER 1500 GLN A 99