USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 739 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 73 LYS NZ :NH3+ -150:sc= 0.578 (180deg=-0.0367) USER MOD Set 1.2: A 75 GLN : amide:sc= 0.506 K(o=1.1,f=-6.5!) USER MOD Set 2.1: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 48 MET CE :methyl -174:sc= -1.52 (180deg=-1.62) USER MOD Set 3.2: A 51 GLN : amide:sc= -0.661 K(o=-2.2,f=-5.1) USER MOD Set 4.1: A 10 LYS NZ :NH3+ -153:sc= 0.332 (180deg=0) USER MOD Set 4.2: A 12 GLN : amide:sc= -1.91 K(o=-1.6,f=-8.7!) USER MOD Set 5.1: A 5 ASN :FLIP amide:sc= -0.615 F(o=-0.76!,f=0.1) USER MOD Set 5.2: A 46 LYS NZ :NH3+ -114:sc= 0.715 (180deg=0.226) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 91:sc= 0.0344 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 141:sc= 1.23 (180deg=0.382) USER MOD Single : A 31 TYR OH : rot -176:sc= 1.3 USER MOD Single : A 44 HIS : no HE2:sc= -0.759 K(o=-0.76,f=-7.5!) USER MOD Single : A 49 ASN : amide:sc= -0.0168 X(o=-0.017,f=-0.046) USER MOD Single : A 50 MET CE :methyl -116:sc= -0.719 (180deg=-2.81!) USER MOD Single : A 53 LYS NZ :NH3+ 171:sc= 0.858 (180deg=0.79) USER MOD Single : A 57 TYR OH : rot 172:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 80 HIS : no HD1:sc= -0.98 K(o=-0.98,f=-2) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc=-0.000351 X(o=-0.00035,f=-0.22) USER MOD Single : A 88 HIS : no HE2:sc= -2.01 K(o=-2,f=-2.7) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -30.418 20.337 12.472 1.00 0.00 N ATOM 21 CA PHE A 2 -29.051 19.895 12.170 1.00 0.00 C ATOM 22 C PHE A 2 -28.333 19.424 13.464 1.00 0.00 C ATOM 23 O PHE A 2 -27.235 19.831 13.810 1.00 0.00 O ATOM 24 CB PHE A 2 -28.221 20.937 11.411 1.00 0.00 C ATOM 25 CG PHE A 2 -28.927 21.979 10.585 1.00 0.00 C ATOM 26 CD1 PHE A 2 -29.266 21.709 9.247 1.00 0.00 C ATOM 27 CD2 PHE A 2 -29.128 23.261 11.132 1.00 0.00 C ATOM 28 CE1 PHE A 2 -29.801 22.733 8.451 1.00 0.00 C ATOM 29 CE2 PHE A 2 -29.676 24.277 10.340 1.00 0.00 C ATOM 30 CZ PHE A 2 -29.991 24.011 9.002 1.00 0.00 C ATOM 0 HA PHE A 2 -29.142 19.048 11.490 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -27.604 21.460 12.142 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -27.543 20.398 10.749 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -29.116 20.722 8.836 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -28.860 23.460 12.159 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -30.065 22.540 7.422 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -29.854 25.257 10.757 1.00 0.00 H new ATOM 0 HZ PHE A 2 -30.387 24.802 8.383 1.00 0.00 H new ATOM 40 N THR A 3 -29.007 18.607 14.252 1.00 0.00 N ATOM 41 CA THR A 3 -28.536 17.889 15.418 1.00 0.00 C ATOM 42 C THR A 3 -27.887 16.587 14.942 1.00 0.00 C ATOM 43 O THR A 3 -28.499 15.840 14.177 1.00 0.00 O ATOM 44 CB THR A 3 -29.734 17.547 16.303 1.00 0.00 C ATOM 45 OG1 THR A 3 -30.577 18.665 16.515 1.00 0.00 O ATOM 46 CG2 THR A 3 -29.274 17.018 17.662 1.00 0.00 C ATOM 0 H THR A 3 -29.992 18.412 14.073 1.00 0.00 H new ATOM 0 HA THR A 3 -27.822 18.492 15.978 1.00 0.00 H new ATOM 0 HB THR A 3 -30.298 16.779 15.774 1.00 0.00 H new ATOM 0 HG1 THR A 3 -31.331 18.403 17.084 1.00 0.00 H new ATOM 0 HG21 THR A 3 -30.144 16.782 18.274 1.00 0.00 H new ATOM 0 HG22 THR A 3 -28.676 16.118 17.519 1.00 0.00 H new ATOM 0 HG23 THR A 3 -28.673 17.777 18.163 1.00 0.00 H new ATOM 54 N ILE A 4 -26.653 16.322 15.378 1.00 0.00 N ATOM 55 CA ILE A 4 -25.815 15.259 14.847 1.00 0.00 C ATOM 56 C ILE A 4 -25.395 14.366 16.012 1.00 0.00 C ATOM 57 O ILE A 4 -24.331 14.515 16.603 1.00 0.00 O ATOM 58 CB ILE A 4 -24.637 15.794 13.993 1.00 0.00 C ATOM 59 CG1 ILE A 4 -24.668 17.291 13.615 1.00 0.00 C ATOM 60 CG2 ILE A 4 -24.517 14.913 12.746 1.00 0.00 C ATOM 61 CD1 ILE A 4 -25.679 17.721 12.572 1.00 0.00 C ATOM 0 H ILE A 4 -26.205 16.854 16.124 1.00 0.00 H new ATOM 0 HA ILE A 4 -26.379 14.655 14.137 1.00 0.00 H new ATOM 0 HB ILE A 4 -23.756 15.732 14.631 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -24.854 17.865 14.523 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -23.676 17.570 13.259 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -23.694 15.269 12.127 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -24.326 13.882 13.046 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -25.445 14.960 12.177 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -25.593 18.794 12.402 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -25.488 17.190 11.640 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -26.685 17.489 12.923 1.00 0.00 H new ATOM 73 N ASN A 5 -26.296 13.464 16.389 1.00 0.00 N ATOM 74 CA ASN A 5 -26.190 12.651 17.594 1.00 0.00 C ATOM 75 C ASN A 5 -24.946 11.766 17.501 1.00 0.00 C ATOM 76 O ASN A 5 -24.846 10.937 16.593 1.00 0.00 O ATOM 77 CB ASN A 5 -27.488 11.854 17.819 1.00 0.00 C ATOM 78 CG ASN A 5 -28.705 12.644 17.342 1.00 0.00 C ATOM 79 OD1 ASN A 5 -29.139 13.630 18.120 1.00 0.00 O flip ATOM 80 ND2 ASN A 5 -29.156 12.446 16.217 1.00 0.00 N flip ATOM 0 H ASN A 5 -27.141 13.274 15.851 1.00 0.00 H new ATOM 0 HA ASN A 5 -26.069 13.288 18.471 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -27.434 10.905 17.285 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -27.595 11.618 18.878 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -28.796 11.678 15.651 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -29.891 13.050 15.849 1.00 0.00 H new ATOM 87 N ALA A 6 -23.990 11.987 18.406 1.00 0.00 N ATOM 88 CA ALA A 6 -22.718 11.286 18.445 1.00 0.00 C ATOM 89 C ALA A 6 -22.575 10.612 19.814 1.00 0.00 C ATOM 90 O ALA A 6 -23.553 10.408 20.536 1.00 0.00 O ATOM 91 CB ALA A 6 -21.563 12.256 18.097 1.00 0.00 C ATOM 0 H ALA A 6 -24.088 12.679 19.149 1.00 0.00 H new ATOM 0 HA ALA A 6 -22.676 10.500 17.691 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -20.615 11.719 18.129 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -21.717 12.661 17.097 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -21.543 13.072 18.819 1.00 0.00 H new ATOM 97 N GLU A 7 -21.344 10.259 20.167 1.00 0.00 N ATOM 98 CA GLU A 7 -20.904 9.863 21.492 1.00 0.00 C ATOM 99 C GLU A 7 -19.414 10.188 21.534 1.00 0.00 C ATOM 100 O GLU A 7 -18.716 10.009 20.538 1.00 0.00 O ATOM 101 CB GLU A 7 -21.193 8.372 21.743 1.00 0.00 C ATOM 102 CG GLU A 7 -20.451 7.446 20.772 1.00 0.00 C ATOM 103 CD GLU A 7 -21.002 6.022 20.808 1.00 0.00 C ATOM 104 OE1 GLU A 7 -20.557 5.255 21.690 1.00 0.00 O ATOM 105 OE2 GLU A 7 -21.873 5.724 19.959 1.00 0.00 O ATOM 0 H GLU A 7 -20.582 10.242 19.490 1.00 0.00 H new ATOM 0 HA GLU A 7 -21.436 10.392 22.283 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -20.910 8.120 22.765 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -22.265 8.196 21.657 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -20.533 7.841 19.760 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -19.391 7.431 21.024 1.00 0.00 H new ATOM 112 N VAL A 8 -18.921 10.694 22.663 1.00 0.00 N ATOM 113 CA VAL A 8 -17.510 11.028 22.822 1.00 0.00 C ATOM 114 C VAL A 8 -16.655 9.771 22.709 1.00 0.00 C ATOM 115 O VAL A 8 -17.007 8.716 23.240 1.00 0.00 O ATOM 116 CB VAL A 8 -17.265 11.751 24.154 1.00 0.00 C ATOM 117 CG1 VAL A 8 -17.733 13.196 24.014 1.00 0.00 C ATOM 118 CG2 VAL A 8 -17.974 11.096 25.342 1.00 0.00 C ATOM 0 H VAL A 8 -19.488 10.883 23.490 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.221 11.709 22.022 1.00 0.00 H new ATOM 0 HB VAL A 8 -16.197 11.695 24.365 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -17.566 13.725 24.952 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -17.172 13.685 23.217 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -18.796 13.212 23.772 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -17.757 11.658 26.250 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -19.050 11.091 25.166 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -17.620 10.071 25.457 1.00 0.00 H new ATOM 128 N ARG A 9 -15.516 9.908 22.024 1.00 0.00 N ATOM 129 CA ARG A 9 -14.573 8.806 21.851 1.00 0.00 C ATOM 130 C ARG A 9 -13.131 9.267 21.961 1.00 0.00 C ATOM 131 O ARG A 9 -12.786 10.346 21.486 1.00 0.00 O ATOM 132 CB ARG A 9 -14.813 8.064 20.533 1.00 0.00 C ATOM 133 CG ARG A 9 -14.897 8.984 19.313 1.00 0.00 C ATOM 134 CD ARG A 9 -14.202 8.427 18.066 1.00 0.00 C ATOM 135 NE ARG A 9 -13.785 9.554 17.235 1.00 0.00 N ATOM 136 CZ ARG A 9 -12.700 9.623 16.448 1.00 0.00 C ATOM 137 NH1 ARG A 9 -11.996 8.524 16.164 1.00 0.00 N ATOM 138 NH2 ARG A 9 -12.314 10.805 15.959 1.00 0.00 N ATOM 0 H ARG A 9 -15.226 10.779 21.579 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.753 8.107 22.667 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.008 7.345 20.380 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.739 7.494 20.611 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.946 9.168 19.081 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -14.453 9.947 19.565 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.340 7.824 18.349 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.879 7.776 17.512 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.384 10.379 17.255 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.282 7.622 16.546 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.173 8.586 15.565 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.843 11.647 16.184 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.490 10.865 15.360 1.00 0.00 H new ATOM 152 N LYS A 10 -12.279 8.401 22.521 1.00 0.00 N ATOM 153 CA LYS A 10 -10.832 8.589 22.553 1.00 0.00 C ATOM 154 C LYS A 10 -10.064 7.399 21.963 1.00 0.00 C ATOM 155 O LYS A 10 -8.837 7.409 21.916 1.00 0.00 O ATOM 156 CB LYS A 10 -10.383 8.948 23.971 1.00 0.00 C ATOM 157 CG LYS A 10 -10.742 10.395 24.354 1.00 0.00 C ATOM 158 CD LYS A 10 -9.859 11.474 23.689 1.00 0.00 C ATOM 159 CE LYS A 10 -10.462 12.140 22.439 1.00 0.00 C ATOM 160 NZ LYS A 10 -9.468 13.022 21.789 1.00 0.00 N ATOM 0 H LYS A 10 -12.584 7.538 22.971 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.585 9.427 21.902 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.847 8.262 24.680 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.305 8.811 24.053 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.782 10.580 24.087 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.667 10.500 25.436 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.644 12.249 24.425 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.906 11.022 23.415 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.792 11.375 21.736 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.343 12.719 22.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.960 13.778 21.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.851 13.442 22.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.893 12.466 21.124 1.00 0.00 H new ATOM 174 N GLU A 11 -10.795 6.405 21.454 1.00 0.00 N ATOM 175 CA GLU A 11 -10.290 5.130 20.942 1.00 0.00 C ATOM 176 C GLU A 11 -9.707 5.240 19.514 1.00 0.00 C ATOM 177 O GLU A 11 -9.543 4.226 18.837 1.00 0.00 O ATOM 178 CB GLU A 11 -11.399 4.054 21.015 1.00 0.00 C ATOM 179 CG GLU A 11 -12.399 4.170 22.182 1.00 0.00 C ATOM 180 CD GLU A 11 -11.744 4.321 23.554 1.00 0.00 C ATOM 181 OE1 GLU A 11 -11.183 3.310 24.029 1.00 0.00 O ATOM 182 OE2 GLU A 11 -11.836 5.443 24.103 1.00 0.00 O ATOM 0 H GLU A 11 -11.810 6.472 21.384 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.459 4.831 21.581 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.961 4.080 20.081 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.921 3.076 21.072 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.049 5.027 22.005 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.035 3.285 22.191 1.00 0.00 H new ATOM 189 N GLN A 12 -9.439 6.467 19.042 1.00 0.00 N ATOM 190 CA GLN A 12 -9.109 6.832 17.660 1.00 0.00 C ATOM 191 C GLN A 12 -7.983 6.029 17.009 1.00 0.00 C ATOM 192 O GLN A 12 -8.048 5.817 15.802 1.00 0.00 O ATOM 193 CB GLN A 12 -8.749 8.320 17.535 1.00 0.00 C ATOM 194 CG GLN A 12 -8.183 9.052 18.750 1.00 0.00 C ATOM 195 CD GLN A 12 -9.238 9.729 19.636 1.00 0.00 C ATOM 196 OE1 GLN A 12 -8.879 10.459 20.549 1.00 0.00 O ATOM 197 NE2 GLN A 12 -10.542 9.520 19.416 1.00 0.00 N ATOM 0 H GLN A 12 -9.448 7.281 19.656 1.00 0.00 H new ATOM 0 HA GLN A 12 -10.028 6.592 17.125 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.024 8.416 16.727 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.648 8.850 17.221 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.620 8.342 19.356 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.477 9.808 18.406 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.839 8.911 18.654 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.238 9.970 20.010 1.00 0.00 H new ATOM 206 N GLY A 13 -6.977 5.621 17.792 1.00 0.00 N ATOM 207 CA GLY A 13 -5.705 5.002 17.391 1.00 0.00 C ATOM 208 C GLY A 13 -5.744 3.672 16.609 1.00 0.00 C ATOM 209 O GLY A 13 -4.749 2.955 16.657 1.00 0.00 O ATOM 0 H GLY A 13 -7.035 5.723 18.805 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.161 5.726 16.785 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.118 4.838 18.294 1.00 0.00 H new ATOM 213 N LYS A 14 -6.867 3.369 15.932 1.00 0.00 N ATOM 214 CA LYS A 14 -7.286 2.372 14.932 1.00 0.00 C ATOM 215 C LYS A 14 -8.513 1.614 15.439 1.00 0.00 C ATOM 216 O LYS A 14 -9.360 1.233 14.632 1.00 0.00 O ATOM 217 CB LYS A 14 -6.207 1.390 14.423 1.00 0.00 C ATOM 218 CG LYS A 14 -5.943 1.394 12.912 1.00 0.00 C ATOM 219 CD LYS A 14 -7.129 1.299 11.946 1.00 0.00 C ATOM 220 CE LYS A 14 -6.634 0.929 10.536 1.00 0.00 C ATOM 221 NZ LYS A 14 -5.750 1.951 9.932 1.00 0.00 N ATOM 0 H LYS A 14 -7.678 3.957 16.126 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.520 2.963 14.046 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.271 1.615 14.934 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.496 0.381 14.717 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.400 2.309 12.676 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.274 0.561 12.693 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.837 0.550 12.300 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.660 2.250 11.915 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.099 -0.019 10.585 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.495 0.776 9.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.454 1.638 8.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.264 2.852 9.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.910 2.082 10.531 1.00 0.00 H new ATOM 235 N GLY A 15 -8.639 1.447 16.764 1.00 0.00 N ATOM 236 CA GLY A 15 -9.721 0.710 17.402 1.00 0.00 C ATOM 237 C GLY A 15 -11.104 1.307 17.121 1.00 0.00 C ATOM 238 O GLY A 15 -12.054 0.555 16.884 1.00 0.00 O ATOM 0 H GLY A 15 -7.971 1.833 17.431 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.701 -0.324 17.057 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.553 0.690 18.479 1.00 0.00 H new ATOM 242 N ALA A 16 -11.222 2.644 17.127 1.00 0.00 N ATOM 243 CA ALA A 16 -12.434 3.342 16.713 1.00 0.00 C ATOM 244 C ALA A 16 -12.580 3.342 15.193 1.00 0.00 C ATOM 245 O ALA A 16 -13.669 3.147 14.666 1.00 0.00 O ATOM 246 CB ALA A 16 -12.441 4.789 17.193 1.00 0.00 C ATOM 0 H ALA A 16 -10.471 3.268 17.422 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.268 2.805 17.166 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.359 5.277 16.866 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.386 4.812 18.281 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.582 5.315 16.776 1.00 0.00 H new ATOM 252 N SER A 17 -11.484 3.559 14.470 1.00 0.00 N ATOM 253 CA SER A 17 -11.530 3.717 13.017 1.00 0.00 C ATOM 254 C SER A 17 -12.097 2.460 12.332 1.00 0.00 C ATOM 255 O SER A 17 -12.745 2.562 11.288 1.00 0.00 O ATOM 256 CB SER A 17 -10.132 4.077 12.504 1.00 0.00 C ATOM 257 OG SER A 17 -9.646 5.199 13.215 1.00 0.00 O ATOM 0 H SER A 17 -10.548 3.630 14.869 1.00 0.00 H new ATOM 0 HA SER A 17 -12.210 4.531 12.764 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.457 3.231 12.632 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.169 4.297 11.437 1.00 0.00 H new ATOM 0 HG SER A 17 -9.148 4.896 14.003 1.00 0.00 H new ATOM 263 N ARG A 18 -11.935 1.289 12.970 1.00 0.00 N ATOM 264 CA ARG A 18 -12.450 0.017 12.510 1.00 0.00 C ATOM 265 C ARG A 18 -13.864 -0.240 13.030 1.00 0.00 C ATOM 266 O ARG A 18 -14.629 -0.836 12.288 1.00 0.00 O ATOM 267 CB ARG A 18 -11.462 -1.137 12.787 1.00 0.00 C ATOM 268 CG ARG A 18 -11.247 -1.595 14.242 1.00 0.00 C ATOM 269 CD ARG A 18 -12.493 -2.249 14.870 1.00 0.00 C ATOM 270 NE ARG A 18 -12.199 -3.451 15.648 1.00 0.00 N ATOM 271 CZ ARG A 18 -11.609 -3.491 16.848 1.00 0.00 C ATOM 272 NH1 ARG A 18 -11.258 -2.374 17.493 1.00 0.00 N ATOM 273 NH2 ARG A 18 -11.367 -4.678 17.398 1.00 0.00 N ATOM 0 H ARG A 18 -11.422 1.214 13.849 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.541 0.064 11.425 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.796 -2.002 12.214 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.492 -0.844 12.386 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.420 -2.304 14.273 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.954 -0.736 14.846 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.988 -1.522 15.514 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.197 -2.503 14.078 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.469 -4.344 15.237 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.439 -1.463 17.071 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.809 -2.433 18.407 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.630 -5.532 16.905 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.918 -4.735 18.312 1.00 0.00 H new ATOM 287 N ARG A 19 -14.242 0.178 14.254 1.00 0.00 N ATOM 288 CA ARG A 19 -15.584 -0.115 14.785 1.00 0.00 C ATOM 289 C ARG A 19 -16.620 0.765 14.078 1.00 0.00 C ATOM 290 O ARG A 19 -17.715 0.309 13.757 1.00 0.00 O ATOM 291 CB ARG A 19 -15.655 0.042 16.320 1.00 0.00 C ATOM 292 CG ARG A 19 -15.719 1.518 16.732 1.00 0.00 C ATOM 293 CD ARG A 19 -15.667 1.864 18.203 1.00 0.00 C ATOM 294 NE ARG A 19 -14.530 1.264 18.914 1.00 0.00 N ATOM 295 CZ ARG A 19 -14.290 1.429 20.224 1.00 0.00 C ATOM 296 NH1 ARG A 19 -15.135 2.132 20.988 1.00 0.00 N ATOM 297 NH2 ARG A 19 -13.193 0.890 20.767 1.00 0.00 N ATOM 0 H ARG A 19 -13.645 0.712 14.885 1.00 0.00 H new ATOM 0 HA ARG A 19 -15.810 -1.161 14.580 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -16.532 -0.481 16.700 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -14.782 -0.426 16.775 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -14.894 2.034 16.242 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -16.641 1.935 16.327 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -15.619 2.948 18.310 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -16.593 1.537 18.676 1.00 0.00 H new ATOM 0 HE ARG A 19 -13.882 0.686 18.378 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -15.970 2.548 20.575 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.944 2.252 21.983 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.545 0.358 20.186 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.004 1.011 21.762 1.00 0.00 H new ATOM 311 N LEU A 20 -16.254 2.029 13.835 1.00 0.00 N ATOM 312 CA LEU A 20 -17.076 2.996 13.152 1.00 0.00 C ATOM 313 C LEU A 20 -17.324 2.544 11.725 1.00 0.00 C ATOM 314 O LEU A 20 -18.490 2.363 11.376 1.00 0.00 O ATOM 315 CB LEU A 20 -16.446 4.391 13.222 1.00 0.00 C ATOM 316 CG LEU A 20 -16.803 5.103 14.541 1.00 0.00 C ATOM 317 CD1 LEU A 20 -15.711 5.138 15.602 1.00 0.00 C ATOM 318 CD2 LEU A 20 -17.066 6.575 14.280 1.00 0.00 C ATOM 0 H LEU A 20 -15.350 2.403 14.122 1.00 0.00 H new ATOM 0 HA LEU A 20 -18.043 3.065 13.650 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -15.363 4.308 13.133 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.790 4.990 12.379 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.651 4.522 14.903 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -16.077 5.664 16.484 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.436 4.119 15.875 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.837 5.656 15.208 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.318 7.071 15.217 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.174 7.034 13.854 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.896 6.678 13.581 1.00 0.00 H new ATOM 330 N ARG A 21 -16.268 2.290 10.928 1.00 0.00 N ATOM 331 CA ARG A 21 -16.481 1.738 9.591 1.00 0.00 C ATOM 332 C ARG A 21 -17.216 0.397 9.644 1.00 0.00 C ATOM 333 O ARG A 21 -17.943 0.077 8.704 1.00 0.00 O ATOM 334 CB ARG A 21 -15.166 1.657 8.782 1.00 0.00 C ATOM 335 CG ARG A 21 -14.343 0.404 9.125 1.00 0.00 C ATOM 336 CD ARG A 21 -12.953 0.335 8.489 1.00 0.00 C ATOM 337 NE ARG A 21 -12.329 -0.965 8.798 1.00 0.00 N ATOM 338 CZ ARG A 21 -11.227 -1.488 8.235 1.00 0.00 C ATOM 339 NH1 ARG A 21 -10.511 -0.791 7.345 1.00 0.00 N ATOM 340 NH2 ARG A 21 -10.845 -2.727 8.566 1.00 0.00 N ATOM 0 H ARG A 21 -15.294 2.454 11.181 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.130 2.431 9.056 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.397 1.656 7.717 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.567 2.547 8.977 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.231 0.349 10.208 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -14.908 -0.476 8.818 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.030 0.465 7.410 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.330 1.147 8.864 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.783 -1.528 9.517 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.799 0.152 7.085 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.677 -1.203 6.927 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.389 -3.265 9.240 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.010 -3.133 8.144 1.00 0.00 H new ATOM 354 N ALA A 22 -17.071 -0.354 10.748 1.00 0.00 N ATOM 355 CA ALA A 22 -17.761 -1.637 10.891 1.00 0.00 C ATOM 356 C ALA A 22 -19.265 -1.496 11.175 1.00 0.00 C ATOM 357 O ALA A 22 -19.990 -2.485 11.067 1.00 0.00 O ATOM 358 CB ALA A 22 -17.084 -2.466 11.976 1.00 0.00 C ATOM 0 H ALA A 22 -16.488 -0.095 11.544 1.00 0.00 H new ATOM 0 HA ALA A 22 -17.685 -2.147 9.931 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -17.600 -3.420 12.080 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -16.044 -2.644 11.702 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -17.123 -1.927 12.923 1.00 0.00 H new ATOM 364 N ALA A 23 -19.744 -0.286 11.496 1.00 0.00 N ATOM 365 CA ALA A 23 -21.139 0.021 11.792 1.00 0.00 C ATOM 366 C ALA A 23 -21.700 1.129 10.912 1.00 0.00 C ATOM 367 O ALA A 23 -22.760 1.664 11.245 1.00 0.00 O ATOM 368 CB ALA A 23 -21.270 0.460 13.244 1.00 0.00 C ATOM 0 H ALA A 23 -19.141 0.534 11.557 1.00 0.00 H new ATOM 0 HA ALA A 23 -21.706 -0.889 11.597 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -22.313 0.689 13.462 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -20.930 -0.342 13.899 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -20.661 1.348 13.412 1.00 0.00 H new ATOM 374 N ASN A 24 -21.008 1.501 9.821 1.00 0.00 N ATOM 375 CA ASN A 24 -21.425 2.581 8.931 1.00 0.00 C ATOM 376 C ASN A 24 -21.422 3.961 9.618 1.00 0.00 C ATOM 377 O ASN A 24 -21.896 4.947 9.050 1.00 0.00 O ATOM 378 CB ASN A 24 -22.776 2.204 8.295 1.00 0.00 C ATOM 379 CG ASN A 24 -22.585 1.547 6.934 1.00 0.00 C ATOM 380 OD1 ASN A 24 -22.817 2.158 5.895 1.00 0.00 O ATOM 381 ND2 ASN A 24 -22.141 0.291 6.937 1.00 0.00 N ATOM 0 H ASN A 24 -20.137 1.052 9.536 1.00 0.00 H new ATOM 0 HA ASN A 24 -20.692 2.692 8.132 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -23.314 1.525 8.956 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -23.391 3.097 8.186 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -21.982 -0.196 6.055 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -21.960 -0.184 7.821 1.00 0.00 H new ATOM 388 N LYS A 25 -20.842 4.044 10.821 1.00 0.00 N ATOM 389 CA LYS A 25 -20.444 5.287 11.446 1.00 0.00 C ATOM 390 C LYS A 25 -19.079 5.680 10.874 1.00 0.00 C ATOM 391 O LYS A 25 -18.478 4.945 10.087 1.00 0.00 O ATOM 392 CB LYS A 25 -20.456 5.109 12.974 1.00 0.00 C ATOM 393 CG LYS A 25 -21.908 4.988 13.461 1.00 0.00 C ATOM 394 CD LYS A 25 -22.086 5.386 14.932 1.00 0.00 C ATOM 395 CE LYS A 25 -23.491 5.940 15.197 1.00 0.00 C ATOM 396 NZ LYS A 25 -24.570 5.037 14.745 1.00 0.00 N ATOM 0 H LYS A 25 -20.637 3.223 11.391 1.00 0.00 H new ATOM 0 HA LYS A 25 -21.135 6.102 11.233 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.892 4.219 13.252 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -19.969 5.958 13.454 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -22.546 5.618 12.841 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -22.246 3.960 13.326 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -21.909 4.519 15.569 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.341 6.136 15.200 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -23.605 6.126 16.265 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -23.596 6.901 14.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -25.347 5.052 15.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -24.923 5.354 13.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -24.200 4.069 14.661 1.00 0.00 H new ATOM 410 N PHE A 26 -18.587 6.859 11.244 1.00 0.00 N ATOM 411 CA PHE A 26 -17.267 7.340 10.867 1.00 0.00 C ATOM 412 C PHE A 26 -16.910 8.481 11.844 1.00 0.00 C ATOM 413 O PHE A 26 -17.811 9.068 12.461 1.00 0.00 O ATOM 414 CB PHE A 26 -17.244 7.768 9.383 1.00 0.00 C ATOM 415 CG PHE A 26 -17.745 9.171 9.179 1.00 0.00 C ATOM 416 CD1 PHE A 26 -18.993 9.534 9.710 1.00 0.00 C ATOM 417 CD2 PHE A 26 -16.883 10.151 8.656 1.00 0.00 C ATOM 418 CE1 PHE A 26 -19.300 10.880 9.887 1.00 0.00 C ATOM 419 CE2 PHE A 26 -17.234 11.502 8.770 1.00 0.00 C ATOM 420 CZ PHE A 26 -18.401 11.863 9.455 1.00 0.00 C ATOM 0 H PHE A 26 -19.107 7.517 11.825 1.00 0.00 H new ATOM 0 HA PHE A 26 -16.512 6.558 10.945 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -16.226 7.691 9.002 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.856 7.079 8.800 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -19.711 8.773 9.980 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -15.961 9.865 8.172 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -20.230 11.166 10.357 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.606 12.263 8.331 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.609 12.905 9.651 1.00 0.00 H new ATOM 430 N PRO A 27 -15.616 8.755 12.067 1.00 0.00 N ATOM 431 CA PRO A 27 -15.191 9.710 13.082 1.00 0.00 C ATOM 432 C PRO A 27 -15.523 11.164 12.743 1.00 0.00 C ATOM 433 O PRO A 27 -15.703 11.530 11.580 1.00 0.00 O ATOM 434 CB PRO A 27 -13.680 9.503 13.209 1.00 0.00 C ATOM 435 CG PRO A 27 -13.268 8.810 11.914 1.00 0.00 C ATOM 436 CD PRO A 27 -14.487 7.939 11.648 1.00 0.00 C ATOM 0 HA PRO A 27 -15.726 9.531 14.015 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.160 10.453 13.331 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.437 8.892 14.078 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.085 9.520 11.107 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.359 8.221 12.033 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.561 7.671 10.594 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -14.440 7.007 12.212 1.00 0.00 H new ATOM 444 N ALA A 28 -15.508 12.000 13.787 1.00 0.00 N ATOM 445 CA ALA A 28 -15.380 13.449 13.674 1.00 0.00 C ATOM 446 C ALA A 28 -14.540 14.018 14.829 1.00 0.00 C ATOM 447 O ALA A 28 -14.103 13.279 15.722 1.00 0.00 O ATOM 448 CB ALA A 28 -16.761 14.104 13.584 1.00 0.00 C ATOM 0 H ALA A 28 -15.586 11.677 14.751 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.849 13.683 12.751 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.646 15.185 13.500 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.287 13.726 12.707 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.335 13.868 14.480 1.00 0.00 H new ATOM 454 N ILE A 29 -14.350 15.346 14.815 1.00 0.00 N ATOM 455 CA ILE A 29 -13.709 16.127 15.870 1.00 0.00 C ATOM 456 C ILE A 29 -14.471 17.429 16.107 1.00 0.00 C ATOM 457 O ILE A 29 -15.109 17.962 15.203 1.00 0.00 O ATOM 458 CB ILE A 29 -12.231 16.366 15.505 1.00 0.00 C ATOM 459 CG1 ILE A 29 -11.343 16.919 16.633 1.00 0.00 C ATOM 460 CG2 ILE A 29 -12.033 17.308 14.311 1.00 0.00 C ATOM 461 CD1 ILE A 29 -11.319 16.060 17.887 1.00 0.00 C ATOM 0 H ILE A 29 -14.654 15.925 14.032 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.734 15.574 16.809 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.917 15.350 15.267 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.325 17.025 16.259 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.691 17.918 16.897 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.968 17.427 14.115 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.519 16.887 13.431 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.471 18.280 14.538 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.670 16.521 18.632 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -12.329 15.974 18.289 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.941 15.068 17.641 1.00 0.00 H new ATOM 473 N ILE A 30 -14.350 17.945 17.331 1.00 0.00 N ATOM 474 CA ILE A 30 -14.969 19.174 17.823 1.00 0.00 C ATOM 475 C ILE A 30 -13.855 19.957 18.507 1.00 0.00 C ATOM 476 O ILE A 30 -13.392 19.521 19.555 1.00 0.00 O ATOM 477 CB ILE A 30 -16.145 18.877 18.798 1.00 0.00 C ATOM 478 CG1 ILE A 30 -17.360 18.387 17.998 1.00 0.00 C ATOM 479 CG2 ILE A 30 -16.502 20.101 19.658 1.00 0.00 C ATOM 480 CD1 ILE A 30 -18.572 17.916 18.819 1.00 0.00 C ATOM 0 H ILE A 30 -13.784 17.489 18.046 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.410 19.746 17.007 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.831 18.094 19.488 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -17.685 19.194 17.341 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -17.039 17.564 17.359 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -17.327 19.850 20.324 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.635 20.395 20.250 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -16.797 20.927 19.011 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -19.366 17.594 18.145 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -18.278 17.082 19.457 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -18.933 18.737 19.439 1.00 0.00 H new ATOM 492 N TYR A 31 -13.409 21.081 17.937 1.00 0.00 N ATOM 493 CA TYR A 31 -12.225 21.787 18.425 1.00 0.00 C ATOM 494 C TYR A 31 -12.421 23.291 18.601 1.00 0.00 C ATOM 495 O TYR A 31 -13.510 23.808 18.374 1.00 0.00 O ATOM 496 CB TYR A 31 -11.025 21.430 17.556 1.00 0.00 C ATOM 497 CG TYR A 31 -11.147 21.567 16.050 1.00 0.00 C ATOM 498 CD1 TYR A 31 -11.472 22.795 15.440 1.00 0.00 C ATOM 499 CD2 TYR A 31 -10.779 20.473 15.248 1.00 0.00 C ATOM 500 CE1 TYR A 31 -11.401 22.920 14.041 1.00 0.00 C ATOM 501 CE2 TYR A 31 -10.664 20.603 13.859 1.00 0.00 C ATOM 502 CZ TYR A 31 -10.967 21.837 13.248 1.00 0.00 C ATOM 503 OH TYR A 31 -10.865 21.977 11.898 1.00 0.00 O ATOM 0 H TYR A 31 -13.855 21.522 17.132 1.00 0.00 H new ATOM 0 HA TYR A 31 -12.031 21.442 19.441 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -10.189 22.051 17.877 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.756 20.396 17.773 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -11.775 23.637 16.045 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.582 19.517 15.711 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.681 23.851 13.571 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -10.345 19.763 13.259 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.612 21.119 11.498 1.00 0.00 H new ATOM 574 N PRO A 37 -9.860 20.001 22.112 1.00 0.00 N ATOM 575 CA PRO A 37 -10.586 19.181 21.151 1.00 0.00 C ATOM 576 C PRO A 37 -11.404 18.052 21.802 1.00 0.00 C ATOM 577 O PRO A 37 -11.211 17.731 22.975 1.00 0.00 O ATOM 578 CB PRO A 37 -9.479 18.653 20.259 1.00 0.00 C ATOM 579 CG PRO A 37 -8.346 18.395 21.255 1.00 0.00 C ATOM 580 CD PRO A 37 -8.519 19.477 22.292 1.00 0.00 C ATOM 0 HA PRO A 37 -11.346 19.747 20.612 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.777 17.743 19.738 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.192 19.377 19.496 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.422 17.402 21.698 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.370 18.456 20.774 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.389 19.077 23.297 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.774 20.262 22.163 1.00 0.00 H new ATOM 588 N LEU A 38 -12.319 17.441 21.031 1.00 0.00 N ATOM 589 CA LEU A 38 -13.243 16.415 21.506 1.00 0.00 C ATOM 590 C LEU A 38 -13.707 15.556 20.329 1.00 0.00 C ATOM 591 O LEU A 38 -14.569 15.961 19.551 1.00 0.00 O ATOM 592 CB LEU A 38 -14.446 17.081 22.189 1.00 0.00 C ATOM 593 CG LEU A 38 -15.431 16.050 22.792 1.00 0.00 C ATOM 594 CD1 LEU A 38 -15.227 15.999 24.309 1.00 0.00 C ATOM 595 CD2 LEU A 38 -16.867 16.454 22.453 1.00 0.00 C ATOM 0 H LEU A 38 -12.434 17.656 20.041 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.738 15.775 22.230 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.091 17.744 22.978 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.973 17.702 21.465 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.244 15.061 22.374 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -15.916 15.276 24.745 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -14.202 15.701 24.528 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.418 16.984 24.735 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.559 15.727 22.878 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.075 17.440 22.869 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.991 16.483 21.370 1.00 0.00 H new ATOM 607 N ALA A 39 -13.119 14.371 20.177 1.00 0.00 N ATOM 608 CA ALA A 39 -13.543 13.415 19.166 1.00 0.00 C ATOM 609 C ALA A 39 -14.898 12.817 19.542 1.00 0.00 C ATOM 610 O ALA A 39 -15.125 12.491 20.708 1.00 0.00 O ATOM 611 CB ALA A 39 -12.481 12.329 19.050 1.00 0.00 C ATOM 0 H ALA A 39 -12.339 14.051 20.751 1.00 0.00 H new ATOM 0 HA ALA A 39 -13.656 13.913 18.203 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.784 11.603 18.295 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.531 12.778 18.761 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.367 11.827 20.011 1.00 0.00 H new ATOM 617 N ILE A 40 -15.781 12.642 18.548 1.00 0.00 N ATOM 618 CA ILE A 40 -17.092 12.058 18.691 1.00 0.00 C ATOM 619 C ILE A 40 -17.300 11.072 17.526 1.00 0.00 C ATOM 620 O ILE A 40 -16.807 11.283 16.416 1.00 0.00 O ATOM 621 CB ILE A 40 -18.159 13.176 18.716 1.00 0.00 C ATOM 622 CG1 ILE A 40 -18.341 13.992 17.417 1.00 0.00 C ATOM 623 CG2 ILE A 40 -18.005 14.078 19.951 1.00 0.00 C ATOM 624 CD1 ILE A 40 -17.220 14.973 17.086 1.00 0.00 C ATOM 0 H ILE A 40 -15.578 12.920 17.588 1.00 0.00 H new ATOM 0 HA ILE A 40 -17.186 11.512 19.630 1.00 0.00 H new ATOM 0 HB ILE A 40 -19.099 12.629 18.791 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -18.446 13.296 16.585 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -19.276 14.548 17.488 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -18.772 14.852 19.934 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -18.114 13.479 20.855 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -17.020 14.544 19.941 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -17.452 15.490 16.155 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -17.124 15.701 17.892 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -16.282 14.429 16.975 1.00 0.00 H new ATOM 636 N GLU A 41 -18.030 9.993 17.799 1.00 0.00 N ATOM 637 CA GLU A 41 -18.433 8.919 16.903 1.00 0.00 C ATOM 638 C GLU A 41 -19.884 9.154 16.473 1.00 0.00 C ATOM 639 O GLU A 41 -20.769 9.136 17.325 1.00 0.00 O ATOM 640 CB GLU A 41 -18.217 7.588 17.662 1.00 0.00 C ATOM 641 CG GLU A 41 -19.057 6.379 17.198 1.00 0.00 C ATOM 642 CD GLU A 41 -18.517 5.016 17.667 1.00 0.00 C ATOM 643 OE1 GLU A 41 -17.605 4.980 18.525 1.00 0.00 O ATOM 644 OE2 GLU A 41 -19.005 4.005 17.114 1.00 0.00 O ATOM 0 H GLU A 41 -18.386 9.837 18.742 1.00 0.00 H new ATOM 0 HA GLU A 41 -17.844 8.884 15.987 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.163 7.320 17.584 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.425 7.761 18.718 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.077 6.498 17.564 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.106 6.382 16.109 1.00 0.00 H new ATOM 651 N LEU A 42 -20.131 9.390 15.172 1.00 0.00 N ATOM 652 CA LEU A 42 -21.468 9.693 14.647 1.00 0.00 C ATOM 653 C LEU A 42 -21.772 8.902 13.376 1.00 0.00 C ATOM 654 O LEU A 42 -20.884 8.289 12.785 1.00 0.00 O ATOM 655 CB LEU A 42 -21.673 11.205 14.418 1.00 0.00 C ATOM 656 CG LEU A 42 -20.960 11.813 13.191 1.00 0.00 C ATOM 657 CD1 LEU A 42 -21.543 13.183 12.891 1.00 0.00 C ATOM 658 CD2 LEU A 42 -19.459 12.014 13.397 1.00 0.00 C ATOM 0 H LEU A 42 -19.405 9.375 14.456 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.179 9.379 15.412 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -22.742 11.395 14.321 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -21.334 11.735 15.308 1.00 0.00 H new ATOM 0 HG LEU A 42 -21.111 11.103 12.378 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -21.039 13.611 12.025 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -22.608 13.087 12.680 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -21.401 13.835 13.753 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -19.022 12.444 12.496 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -19.294 12.688 14.238 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -18.988 11.053 13.605 1.00 0.00 H new ATOM 670 N ASP A 43 -23.042 8.945 12.951 1.00 0.00 N ATOM 671 CA ASP A 43 -23.491 8.272 11.746 1.00 0.00 C ATOM 672 C ASP A 43 -23.047 9.058 10.522 1.00 0.00 C ATOM 673 O ASP A 43 -23.245 10.274 10.456 1.00 0.00 O ATOM 674 CB ASP A 43 -25.013 8.068 11.749 1.00 0.00 C ATOM 675 CG ASP A 43 -25.329 6.652 11.285 1.00 0.00 C ATOM 676 OD1 ASP A 43 -25.390 5.769 12.172 1.00 0.00 O ATOM 677 OD2 ASP A 43 -25.454 6.480 10.053 1.00 0.00 O ATOM 0 H ASP A 43 -23.780 9.451 13.441 1.00 0.00 H new ATOM 0 HA ASP A 43 -23.036 7.282 11.714 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -25.412 8.233 12.750 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -25.491 8.794 11.091 1.00 0.00 H new ATOM 682 N HIS A 44 -22.469 8.343 9.553 1.00 0.00 N ATOM 683 CA HIS A 44 -22.061 8.907 8.281 1.00 0.00 C ATOM 684 C HIS A 44 -23.291 9.327 7.488 1.00 0.00 C ATOM 685 O HIS A 44 -23.317 10.454 7.010 1.00 0.00 O ATOM 686 CB HIS A 44 -21.240 7.867 7.508 1.00 0.00 C ATOM 687 CG HIS A 44 -20.702 8.309 6.167 1.00 0.00 C ATOM 688 ND1 HIS A 44 -21.196 9.319 5.373 1.00 0.00 N ATOM 689 CD2 HIS A 44 -19.699 7.694 5.467 1.00 0.00 C ATOM 690 CE1 HIS A 44 -20.518 9.299 4.219 1.00 0.00 C ATOM 691 NE2 HIS A 44 -19.586 8.334 4.229 1.00 0.00 N ATOM 0 H HIS A 44 -22.273 7.346 9.639 1.00 0.00 H new ATOM 0 HA HIS A 44 -21.443 9.790 8.446 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -20.400 7.561 8.131 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -21.861 6.984 7.355 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -21.944 9.967 5.620 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -19.101 6.862 5.810 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -20.697 9.969 3.391 1.00 0.00 H new ATOM 699 N ASP A 45 -24.279 8.443 7.302 1.00 0.00 N ATOM 700 CA ASP A 45 -25.387 8.691 6.378 1.00 0.00 C ATOM 701 C ASP A 45 -26.282 9.849 6.843 1.00 0.00 C ATOM 702 O ASP A 45 -26.860 10.565 6.023 1.00 0.00 O ATOM 703 CB ASP A 45 -26.206 7.407 6.236 1.00 0.00 C ATOM 704 CG ASP A 45 -27.015 7.419 4.939 1.00 0.00 C ATOM 705 OD1 ASP A 45 -26.368 7.303 3.873 1.00 0.00 O ATOM 706 OD2 ASP A 45 -28.256 7.540 5.031 1.00 0.00 O ATOM 0 H ASP A 45 -24.331 7.545 7.783 1.00 0.00 H new ATOM 0 HA ASP A 45 -24.973 8.983 5.413 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -25.541 6.543 6.247 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -26.878 7.303 7.088 1.00 0.00 H new ATOM 711 N LYS A 46 -26.320 10.068 8.164 1.00 0.00 N ATOM 712 CA LYS A 46 -26.831 11.282 8.782 1.00 0.00 C ATOM 713 C LYS A 46 -25.995 12.461 8.312 1.00 0.00 C ATOM 714 O LYS A 46 -26.427 13.162 7.404 1.00 0.00 O ATOM 715 CB LYS A 46 -26.790 11.130 10.300 1.00 0.00 C ATOM 716 CG LYS A 46 -27.073 12.423 11.051 1.00 0.00 C ATOM 717 CD LYS A 46 -27.233 12.135 12.526 1.00 0.00 C ATOM 718 CE LYS A 46 -26.089 11.409 13.241 1.00 0.00 C ATOM 719 NZ LYS A 46 -26.595 10.718 14.441 1.00 0.00 N ATOM 0 H LYS A 46 -25.986 9.384 8.843 1.00 0.00 H new ATOM 0 HA LYS A 46 -27.867 11.459 8.491 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -27.519 10.378 10.601 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -25.808 10.757 10.593 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -26.258 13.130 10.896 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -27.978 12.889 10.662 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -27.398 13.084 13.036 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -28.138 11.542 12.655 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -25.627 10.689 12.565 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -25.315 12.123 13.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -26.187 11.156 15.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -27.632 10.795 14.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -26.324 9.715 14.404 1.00 0.00 H new ATOM 733 N VAL A 47 -24.824 12.690 8.932 1.00 0.00 N ATOM 734 CA VAL A 47 -24.000 13.862 8.687 1.00 0.00 C ATOM 735 C VAL A 47 -23.763 14.153 7.201 1.00 0.00 C ATOM 736 O VAL A 47 -23.603 15.306 6.821 1.00 0.00 O ATOM 737 CB VAL A 47 -22.703 13.767 9.473 1.00 0.00 C ATOM 738 CG1 VAL A 47 -21.661 12.900 8.803 1.00 0.00 C ATOM 739 CG2 VAL A 47 -22.140 15.165 9.713 1.00 0.00 C ATOM 0 H VAL A 47 -24.429 12.053 9.623 1.00 0.00 H new ATOM 0 HA VAL A 47 -24.561 14.725 9.047 1.00 0.00 H new ATOM 0 HB VAL A 47 -22.945 13.288 10.422 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -20.760 12.875 9.416 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -22.049 11.888 8.687 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -21.421 13.311 7.822 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -21.210 15.091 10.277 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -21.946 15.648 8.756 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -22.861 15.756 10.278 1.00 0.00 H new ATOM 749 N MET A 48 -23.791 13.109 6.370 1.00 0.00 N ATOM 750 CA MET A 48 -23.863 13.180 4.922 1.00 0.00 C ATOM 751 C MET A 48 -24.969 14.144 4.490 1.00 0.00 C ATOM 752 O MET A 48 -24.661 15.206 3.976 1.00 0.00 O ATOM 753 CB MET A 48 -24.022 11.784 4.299 1.00 0.00 C ATOM 754 CG MET A 48 -24.091 11.763 2.768 1.00 0.00 C ATOM 755 SD MET A 48 -22.512 11.501 1.916 1.00 0.00 S ATOM 756 CE MET A 48 -21.775 13.146 2.006 1.00 0.00 C ATOM 0 H MET A 48 -23.762 12.148 6.712 1.00 0.00 H new ATOM 0 HA MET A 48 -22.920 13.577 4.546 1.00 0.00 H new ATOM 0 HB2 MET A 48 -23.186 11.162 4.619 1.00 0.00 H new ATOM 0 HB3 MET A 48 -24.929 11.327 4.695 1.00 0.00 H new ATOM 0 HG2 MET A 48 -24.782 10.977 2.464 1.00 0.00 H new ATOM 0 HG3 MET A 48 -24.514 12.708 2.428 1.00 0.00 H new ATOM 0 HE1 MET A 48 -20.850 13.162 1.430 1.00 0.00 H new ATOM 0 HE2 MET A 48 -22.470 13.879 1.597 1.00 0.00 H new ATOM 0 HE3 MET A 48 -21.559 13.392 3.046 1.00 0.00 H new ATOM 766 N ASN A 49 -26.242 13.840 4.744 1.00 0.00 N ATOM 767 CA ASN A 49 -27.361 14.757 4.517 1.00 0.00 C ATOM 768 C ASN A 49 -27.204 16.124 5.184 1.00 0.00 C ATOM 769 O ASN A 49 -27.862 17.073 4.756 1.00 0.00 O ATOM 770 CB ASN A 49 -28.617 14.072 5.059 1.00 0.00 C ATOM 771 CG ASN A 49 -29.919 14.837 4.829 1.00 0.00 C ATOM 772 OD1 ASN A 49 -30.141 15.440 3.782 1.00 0.00 O ATOM 773 ND2 ASN A 49 -30.802 14.803 5.824 1.00 0.00 N ATOM 0 H ASN A 49 -26.530 12.936 5.119 1.00 0.00 H new ATOM 0 HA ASN A 49 -27.413 14.961 3.447 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -28.704 13.089 4.597 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -28.492 13.911 6.130 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -31.695 15.287 5.730 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -30.586 14.293 6.680 1.00 0.00 H new ATOM 780 N MET A 50 -26.353 16.254 6.208 1.00 0.00 N ATOM 781 CA MET A 50 -26.243 17.454 6.983 1.00 0.00 C ATOM 782 C MET A 50 -25.233 18.383 6.289 1.00 0.00 C ATOM 783 O MET A 50 -25.663 19.395 5.756 1.00 0.00 O ATOM 784 CB MET A 50 -25.916 17.039 8.417 1.00 0.00 C ATOM 785 CG MET A 50 -26.781 15.946 9.021 1.00 0.00 C ATOM 786 SD MET A 50 -28.513 16.317 9.341 1.00 0.00 S ATOM 787 CE MET A 50 -28.414 15.990 11.110 1.00 0.00 C ATOM 0 H MET A 50 -25.723 15.511 6.510 1.00 0.00 H new ATOM 0 HA MET A 50 -27.161 18.038 7.045 1.00 0.00 H new ATOM 0 HB2 MET A 50 -24.878 16.708 8.448 1.00 0.00 H new ATOM 0 HB3 MET A 50 -25.989 17.922 9.052 1.00 0.00 H new ATOM 0 HG2 MET A 50 -26.742 15.084 8.356 1.00 0.00 H new ATOM 0 HG3 MET A 50 -26.325 15.642 9.963 1.00 0.00 H new ATOM 0 HE1 MET A 50 -29.048 15.139 11.359 1.00 0.00 H new ATOM 0 HE2 MET A 50 -27.383 15.765 11.381 1.00 0.00 H new ATOM 0 HE3 MET A 50 -28.751 16.868 11.662 1.00 0.00 H new ATOM 797 N GLN A 51 -23.933 18.052 6.182 1.00 0.00 N ATOM 798 CA GLN A 51 -22.977 18.861 5.386 1.00 0.00 C ATOM 799 C GLN A 51 -23.340 18.955 3.897 1.00 0.00 C ATOM 800 O GLN A 51 -22.733 19.737 3.171 1.00 0.00 O ATOM 801 CB GLN A 51 -21.502 18.429 5.569 1.00 0.00 C ATOM 802 CG GLN A 51 -21.052 17.018 5.191 1.00 0.00 C ATOM 803 CD GLN A 51 -21.157 16.741 3.705 1.00 0.00 C ATOM 804 OE1 GLN A 51 -20.304 17.134 2.919 1.00 0.00 O ATOM 805 NE2 GLN A 51 -22.214 16.050 3.320 1.00 0.00 N ATOM 0 H GLN A 51 -23.517 17.236 6.632 1.00 0.00 H new ATOM 0 HA GLN A 51 -23.072 19.865 5.800 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -20.890 19.126 4.996 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -21.253 18.575 6.620 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -20.020 16.874 5.510 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -21.657 16.292 5.734 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -22.901 15.742 4.009 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -22.344 15.824 2.334 1.00 0.00 H new ATOM 814 N ALA A 52 -24.338 18.193 3.437 1.00 0.00 N ATOM 815 CA ALA A 52 -24.896 18.274 2.122 1.00 0.00 C ATOM 816 C ALA A 52 -25.792 19.507 1.947 1.00 0.00 C ATOM 817 O ALA A 52 -26.314 19.677 0.844 1.00 0.00 O ATOM 818 CB ALA A 52 -25.604 16.961 1.784 1.00 0.00 C ATOM 0 H ALA A 52 -24.784 17.478 4.012 1.00 0.00 H new ATOM 0 HA ALA A 52 -24.088 18.411 1.404 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -26.029 17.024 0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -24.887 16.141 1.823 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -26.401 16.781 2.505 1.00 0.00 H new ATOM 824 N LYS A 53 -25.952 20.390 2.957 1.00 0.00 N ATOM 825 CA LYS A 53 -26.439 21.733 2.675 1.00 0.00 C ATOM 826 C LYS A 53 -25.493 22.756 3.289 1.00 0.00 C ATOM 827 O LYS A 53 -24.779 22.460 4.246 1.00 0.00 O ATOM 828 CB LYS A 53 -27.896 21.906 3.124 1.00 0.00 C ATOM 829 CG LYS A 53 -28.113 21.790 4.638 1.00 0.00 C ATOM 830 CD LYS A 53 -28.398 20.374 5.125 1.00 0.00 C ATOM 831 CE LYS A 53 -29.834 19.894 4.879 1.00 0.00 C ATOM 832 NZ LYS A 53 -29.896 18.898 3.788 1.00 0.00 N ATOM 0 H LYS A 53 -25.755 20.195 3.939 1.00 0.00 H new ATOM 0 HA LYS A 53 -26.446 21.900 1.598 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -28.252 22.882 2.792 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -28.509 21.156 2.623 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -27.227 22.166 5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -28.944 22.434 4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -27.709 19.688 4.631 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -28.189 20.322 6.193 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -30.234 19.457 5.794 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -30.466 20.747 4.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -30.849 18.484 3.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -29.684 19.362 2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -29.199 18.147 3.964 1.00 0.00 H new ATOM 846 N ALA A 54 -25.511 23.973 2.741 1.00 0.00 N ATOM 847 CA ALA A 54 -24.641 25.041 3.211 1.00 0.00 C ATOM 848 C ALA A 54 -25.058 25.551 4.595 1.00 0.00 C ATOM 849 O ALA A 54 -24.224 26.052 5.348 1.00 0.00 O ATOM 850 CB ALA A 54 -24.618 26.181 2.189 1.00 0.00 C ATOM 0 H ALA A 54 -26.122 24.239 1.969 1.00 0.00 H new ATOM 0 HA ALA A 54 -23.634 24.636 3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -23.965 26.977 2.547 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -24.245 25.807 1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -25.627 26.571 2.057 1.00 0.00 H new ATOM 856 N GLU A 55 -26.333 25.353 4.946 1.00 0.00 N ATOM 857 CA GLU A 55 -26.937 25.640 6.231 1.00 0.00 C ATOM 858 C GLU A 55 -26.277 24.849 7.373 1.00 0.00 C ATOM 859 O GLU A 55 -26.420 25.215 8.530 1.00 0.00 O ATOM 860 CB GLU A 55 -28.436 25.295 6.177 1.00 0.00 C ATOM 861 CG GLU A 55 -29.202 25.786 4.939 1.00 0.00 C ATOM 862 CD GLU A 55 -30.658 25.315 4.978 1.00 0.00 C ATOM 863 OE1 GLU A 55 -30.873 24.108 4.724 1.00 0.00 O ATOM 864 OE2 GLU A 55 -31.535 26.161 5.253 1.00 0.00 O ATOM 0 H GLU A 55 -27.007 24.961 4.288 1.00 0.00 H new ATOM 0 HA GLU A 55 -26.792 26.701 6.434 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -28.540 24.212 6.237 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -28.915 25.711 7.063 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -29.168 26.875 4.893 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -28.719 25.414 4.036 1.00 0.00 H new ATOM 871 N PHE A 56 -25.541 23.774 7.080 1.00 0.00 N ATOM 872 CA PHE A 56 -24.818 22.998 8.079 1.00 0.00 C ATOM 873 C PHE A 56 -23.556 23.709 8.541 1.00 0.00 C ATOM 874 O PHE A 56 -23.238 23.787 9.726 1.00 0.00 O ATOM 875 CB PHE A 56 -24.435 21.685 7.409 1.00 0.00 C ATOM 876 CG PHE A 56 -23.592 20.693 8.186 1.00 0.00 C ATOM 877 CD1 PHE A 56 -24.247 19.702 8.920 1.00 0.00 C ATOM 878 CD2 PHE A 56 -22.188 20.656 8.083 1.00 0.00 C ATOM 879 CE1 PHE A 56 -23.528 18.650 9.508 1.00 0.00 C ATOM 880 CE2 PHE A 56 -21.468 19.612 8.701 1.00 0.00 C ATOM 881 CZ PHE A 56 -22.138 18.599 9.397 1.00 0.00 C ATOM 0 H PHE A 56 -25.432 23.418 6.131 1.00 0.00 H new ATOM 0 HA PHE A 56 -25.445 22.850 8.959 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -25.356 21.180 7.119 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -23.900 21.926 6.490 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -25.320 19.746 9.037 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -21.664 21.424 7.533 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -24.053 17.876 10.049 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -20.390 19.594 8.637 1.00 0.00 H new ATOM 0 HZ PHE A 56 -21.585 17.786 9.844 1.00 0.00 H new ATOM 891 N TYR A 57 -22.811 24.189 7.553 1.00 0.00 N ATOM 892 CA TYR A 57 -21.558 24.876 7.778 1.00 0.00 C ATOM 893 C TYR A 57 -21.811 26.244 8.412 1.00 0.00 C ATOM 894 O TYR A 57 -21.040 26.699 9.257 1.00 0.00 O ATOM 895 CB TYR A 57 -20.865 25.090 6.428 1.00 0.00 C ATOM 896 CG TYR A 57 -20.464 23.877 5.617 1.00 0.00 C ATOM 897 CD1 TYR A 57 -21.396 23.292 4.741 1.00 0.00 C ATOM 898 CD2 TYR A 57 -19.118 23.468 5.584 1.00 0.00 C ATOM 899 CE1 TYR A 57 -20.977 22.357 3.784 1.00 0.00 C ATOM 900 CE2 TYR A 57 -18.692 22.518 4.642 1.00 0.00 C ATOM 901 CZ TYR A 57 -19.618 21.981 3.717 1.00 0.00 C ATOM 902 OH TYR A 57 -19.192 21.147 2.730 1.00 0.00 O ATOM 0 H TYR A 57 -23.066 24.109 6.569 1.00 0.00 H new ATOM 0 HA TYR A 57 -20.937 24.277 8.444 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -21.526 25.697 5.810 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -19.966 25.679 6.608 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -22.439 23.564 4.806 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -18.411 23.886 6.285 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -21.692 21.925 3.100 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -17.661 22.198 4.624 1.00 0.00 H new ATOM 0 HH TYR A 57 -18.214 21.094 2.746 1.00 0.00 H new ATOM 912 N SER A 58 -22.893 26.888 7.962 1.00 0.00 N ATOM 913 CA SER A 58 -23.287 28.235 8.322 1.00 0.00 C ATOM 914 C SER A 58 -24.003 28.225 9.671 1.00 0.00 C ATOM 915 O SER A 58 -23.631 28.990 10.560 1.00 0.00 O ATOM 916 CB SER A 58 -24.186 28.792 7.208 1.00 0.00 C ATOM 917 OG SER A 58 -24.536 30.136 7.462 1.00 0.00 O ATOM 0 H SER A 58 -23.543 26.455 7.306 1.00 0.00 H new ATOM 0 HA SER A 58 -22.412 28.877 8.423 1.00 0.00 H new ATOM 0 HB2 SER A 58 -23.670 28.722 6.251 1.00 0.00 H new ATOM 0 HB3 SER A 58 -25.089 28.187 7.128 1.00 0.00 H new ATOM 0 HG SER A 58 -25.107 30.468 6.738 1.00 0.00 H new ATOM 923 N GLU A 59 -25.022 27.367 9.827 1.00 0.00 N ATOM 924 CA GLU A 59 -25.949 27.415 10.937 1.00 0.00 C ATOM 925 C GLU A 59 -25.606 26.225 11.826 1.00 0.00 C ATOM 926 O GLU A 59 -25.519 25.085 11.370 1.00 0.00 O ATOM 927 CB GLU A 59 -27.416 27.426 10.461 1.00 0.00 C ATOM 928 CG GLU A 59 -27.691 28.002 9.049 1.00 0.00 C ATOM 929 CD GLU A 59 -28.924 28.906 9.016 1.00 0.00 C ATOM 930 OE1 GLU A 59 -30.015 28.406 9.371 1.00 0.00 O ATOM 931 OE2 GLU A 59 -28.757 30.085 8.634 1.00 0.00 O ATOM 0 H GLU A 59 -25.217 26.613 9.168 1.00 0.00 H new ATOM 0 HA GLU A 59 -25.851 28.341 11.503 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -27.789 26.402 10.488 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -28.002 27.998 11.181 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -26.821 28.567 8.715 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -27.827 27.181 8.345 1.00 0.00 H new ATOM 938 N VAL A 60 -25.329 26.528 13.092 1.00 0.00 N ATOM 939 CA VAL A 60 -24.703 25.638 14.049 1.00 0.00 C ATOM 940 C VAL A 60 -25.497 24.344 14.232 1.00 0.00 C ATOM 941 O VAL A 60 -26.728 24.326 14.179 1.00 0.00 O ATOM 942 CB VAL A 60 -24.508 26.429 15.355 1.00 0.00 C ATOM 943 CG1 VAL A 60 -25.812 27.015 15.932 1.00 0.00 C ATOM 944 CG2 VAL A 60 -23.816 25.607 16.417 1.00 0.00 C ATOM 0 H VAL A 60 -25.547 27.442 13.490 1.00 0.00 H new ATOM 0 HA VAL A 60 -23.730 25.306 13.686 1.00 0.00 H new ATOM 0 HB VAL A 60 -23.872 27.267 15.072 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -25.592 27.558 16.851 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -26.257 27.696 15.207 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -26.511 26.206 16.147 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -23.699 26.205 17.321 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -24.414 24.724 16.641 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -22.835 25.299 16.057 1.00 0.00 H new ATOM 954 N LEU A 61 -24.755 23.262 14.476 1.00 0.00 N ATOM 955 CA LEU A 61 -25.244 21.921 14.611 1.00 0.00 C ATOM 956 C LEU A 61 -25.193 21.535 16.089 1.00 0.00 C ATOM 957 O LEU A 61 -24.314 22.021 16.802 1.00 0.00 O ATOM 958 CB LEU A 61 -24.285 21.013 13.836 1.00 0.00 C ATOM 959 CG LEU A 61 -23.883 21.426 12.401 1.00 0.00 C ATOM 960 CD1 LEU A 61 -22.913 20.365 11.906 1.00 0.00 C ATOM 961 CD2 LEU A 61 -24.969 21.529 11.327 1.00 0.00 C ATOM 0 H LEU A 61 -23.743 23.319 14.588 1.00 0.00 H new ATOM 0 HA LEU A 61 -26.264 21.829 14.237 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -23.371 20.917 14.423 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -24.736 20.022 13.783 1.00 0.00 H new ATOM 0 HG LEU A 61 -23.508 22.443 12.513 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -22.595 20.607 10.892 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -22.043 20.333 12.562 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -23.405 19.392 11.909 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -24.518 21.829 10.381 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -25.455 20.561 11.207 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -25.709 22.271 11.628 1.00 0.00 H new ATOM 973 N THR A 62 -26.057 20.617 16.545 1.00 0.00 N ATOM 974 CA THR A 62 -26.054 20.183 17.937 1.00 0.00 C ATOM 975 C THR A 62 -25.594 18.727 18.016 1.00 0.00 C ATOM 976 O THR A 62 -26.375 17.823 17.745 1.00 0.00 O ATOM 977 CB THR A 62 -27.444 20.377 18.547 1.00 0.00 C ATOM 978 OG1 THR A 62 -27.960 21.665 18.285 1.00 0.00 O ATOM 979 CG2 THR A 62 -27.386 20.193 20.060 1.00 0.00 C ATOM 0 H THR A 62 -26.764 20.165 15.965 1.00 0.00 H new ATOM 0 HA THR A 62 -25.355 20.788 18.515 1.00 0.00 H new ATOM 0 HB THR A 62 -28.095 19.632 18.090 1.00 0.00 H new ATOM 0 HG1 THR A 62 -28.849 21.750 18.689 1.00 0.00 H new ATOM 0 HG21 THR A 62 -28.381 20.334 20.482 1.00 0.00 H new ATOM 0 HG22 THR A 62 -27.032 19.188 20.291 1.00 0.00 H new ATOM 0 HG23 THR A 62 -26.703 20.926 20.490 1.00 0.00 H new ATOM 987 N ILE A 63 -24.336 18.464 18.370 1.00 0.00 N ATOM 988 CA ILE A 63 -23.846 17.106 18.539 1.00 0.00 C ATOM 989 C ILE A 63 -24.320 16.580 19.887 1.00 0.00 C ATOM 990 O ILE A 63 -23.861 17.035 20.929 1.00 0.00 O ATOM 991 CB ILE A 63 -22.309 17.013 18.467 1.00 0.00 C ATOM 992 CG1 ILE A 63 -21.620 17.915 17.441 1.00 0.00 C ATOM 993 CG2 ILE A 63 -21.883 15.559 18.268 1.00 0.00 C ATOM 994 CD1 ILE A 63 -22.162 17.959 16.028 1.00 0.00 C ATOM 0 H ILE A 63 -23.636 19.185 18.546 1.00 0.00 H new ATOM 0 HA ILE A 63 -24.242 16.506 17.719 1.00 0.00 H new ATOM 0 HB ILE A 63 -21.967 17.397 19.428 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -21.636 18.932 17.832 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -20.575 17.612 17.384 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -20.796 15.502 18.218 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -22.240 14.958 19.104 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -22.309 15.179 17.340 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -21.562 18.644 15.429 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -22.119 16.962 15.590 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -23.196 18.303 16.046 1.00 0.00 H new ATOM 1006 N VAL A 64 -25.238 15.618 19.867 1.00 0.00 N ATOM 1007 CA VAL A 64 -25.821 15.047 21.073 1.00 0.00 C ATOM 1008 C VAL A 64 -25.000 13.813 21.434 1.00 0.00 C ATOM 1009 O VAL A 64 -25.348 12.701 21.043 1.00 0.00 O ATOM 1010 CB VAL A 64 -27.324 14.803 20.880 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -28.013 14.275 22.133 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -28.008 16.122 20.525 1.00 0.00 C ATOM 0 H VAL A 64 -25.600 15.211 19.005 1.00 0.00 H new ATOM 0 HA VAL A 64 -25.773 15.729 21.922 1.00 0.00 H new ATOM 0 HB VAL A 64 -27.412 14.057 20.090 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -29.073 14.124 21.929 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -27.561 13.327 22.425 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -27.898 14.996 22.942 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -29.076 15.953 20.387 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -27.856 16.839 21.331 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -27.581 16.517 19.603 1.00 0.00 H new ATOM 1022 N VAL A 65 -23.874 14.037 22.122 1.00 0.00 N ATOM 1023 CA VAL A 65 -22.922 13.025 22.545 1.00 0.00 C ATOM 1024 C VAL A 65 -23.542 12.260 23.709 1.00 0.00 C ATOM 1025 O VAL A 65 -23.523 12.724 24.848 1.00 0.00 O ATOM 1026 CB VAL A 65 -21.516 13.613 22.826 1.00 0.00 C ATOM 1027 CG1 VAL A 65 -21.045 14.438 21.633 1.00 0.00 C ATOM 1028 CG2 VAL A 65 -21.381 14.522 24.050 1.00 0.00 C ATOM 0 H VAL A 65 -23.597 14.976 22.408 1.00 0.00 H new ATOM 0 HA VAL A 65 -22.731 12.317 21.739 1.00 0.00 H new ATOM 0 HB VAL A 65 -20.916 12.724 23.019 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -20.056 14.847 21.841 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -20.997 13.803 20.748 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -21.745 15.255 21.456 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -20.351 14.867 24.135 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -22.043 15.381 23.940 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -21.653 13.967 24.948 1.00 0.00 H new ATOM 1038 N ASP A 66 -24.157 11.111 23.407 1.00 0.00 N ATOM 1039 CA ASP A 66 -24.796 10.247 24.398 1.00 0.00 C ATOM 1040 C ASP A 66 -25.880 10.987 25.215 1.00 0.00 C ATOM 1041 O ASP A 66 -26.164 10.629 26.357 1.00 0.00 O ATOM 1042 CB ASP A 66 -23.681 9.593 25.238 1.00 0.00 C ATOM 1043 CG ASP A 66 -24.173 8.446 26.126 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -24.937 7.602 25.608 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -23.747 8.414 27.303 1.00 0.00 O ATOM 0 H ASP A 66 -24.224 10.753 22.454 1.00 0.00 H new ATOM 0 HA ASP A 66 -25.361 9.452 23.911 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -22.907 9.217 24.569 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -23.217 10.354 25.866 1.00 0.00 H new ATOM 1050 N GLY A 67 -26.475 12.043 24.634 1.00 0.00 N ATOM 1051 CA GLY A 67 -27.507 12.868 25.261 1.00 0.00 C ATOM 1052 C GLY A 67 -27.042 14.275 25.659 1.00 0.00 C ATOM 1053 O GLY A 67 -27.880 15.082 26.057 1.00 0.00 O ATOM 0 H GLY A 67 -26.241 12.350 23.690 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -28.349 12.958 24.575 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -27.874 12.355 26.150 1.00 0.00 H new ATOM 1057 N LYS A 68 -25.742 14.589 25.551 1.00 0.00 N ATOM 1058 CA LYS A 68 -25.184 15.895 25.905 1.00 0.00 C ATOM 1059 C LYS A 68 -25.054 16.712 24.638 1.00 0.00 C ATOM 1060 O LYS A 68 -24.413 16.275 23.695 1.00 0.00 O ATOM 1061 CB LYS A 68 -23.814 15.727 26.566 1.00 0.00 C ATOM 1062 CG LYS A 68 -23.975 15.229 28.003 1.00 0.00 C ATOM 1063 CD LYS A 68 -22.770 14.407 28.485 1.00 0.00 C ATOM 1064 CE LYS A 68 -21.476 15.228 28.465 1.00 0.00 C ATOM 1065 NZ LYS A 68 -20.322 14.435 28.932 1.00 0.00 N ATOM 0 H LYS A 68 -25.042 13.930 25.210 1.00 0.00 H new ATOM 0 HA LYS A 68 -25.840 16.401 26.613 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -23.211 15.021 25.995 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -23.281 16.678 26.561 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -24.115 16.083 28.665 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -24.876 14.620 28.073 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -22.957 14.048 29.497 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -22.653 13.528 27.851 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -21.287 15.585 27.453 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -21.593 16.108 29.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -19.464 15.022 28.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -20.492 14.115 29.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -20.196 13.609 28.313 1.00 0.00 H new ATOM 1079 N GLU A 69 -25.682 17.880 24.613 1.00 0.00 N ATOM 1080 CA GLU A 69 -25.973 18.618 23.389 1.00 0.00 C ATOM 1081 C GLU A 69 -24.932 19.717 23.146 1.00 0.00 C ATOM 1082 O GLU A 69 -24.894 20.690 23.899 1.00 0.00 O ATOM 1083 CB GLU A 69 -27.399 19.172 23.499 1.00 0.00 C ATOM 1084 CG GLU A 69 -28.412 18.083 23.877 1.00 0.00 C ATOM 1085 CD GLU A 69 -29.827 18.481 23.457 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -30.155 18.239 22.273 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -30.548 19.040 24.311 1.00 0.00 O ATOM 0 H GLU A 69 -26.010 18.350 25.457 1.00 0.00 H new ATOM 0 HA GLU A 69 -25.914 17.959 22.523 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -27.423 19.965 24.247 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -27.688 19.621 22.549 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -28.137 17.144 23.397 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -28.383 17.912 24.953 1.00 0.00 H new ATOM 1094 N ILE A 70 -24.066 19.555 22.128 1.00 0.00 N ATOM 1095 CA ILE A 70 -22.890 20.410 21.938 1.00 0.00 C ATOM 1096 C ILE A 70 -23.074 21.238 20.663 1.00 0.00 C ATOM 1097 O ILE A 70 -23.260 20.678 19.588 1.00 0.00 O ATOM 1098 CB ILE A 70 -21.594 19.559 21.906 1.00 0.00 C ATOM 1099 CG1 ILE A 70 -21.078 19.125 23.293 1.00 0.00 C ATOM 1100 CG2 ILE A 70 -20.471 20.345 21.238 1.00 0.00 C ATOM 1101 CD1 ILE A 70 -21.953 18.057 23.926 1.00 0.00 C ATOM 0 H ILE A 70 -24.166 18.829 21.419 1.00 0.00 H new ATOM 0 HA ILE A 70 -22.790 21.097 22.779 1.00 0.00 H new ATOM 0 HB ILE A 70 -21.864 18.660 21.352 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -20.060 18.748 23.198 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -21.036 19.993 23.950 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -19.564 19.740 21.220 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -20.760 20.597 20.218 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -20.285 21.261 21.799 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -21.548 17.785 24.901 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -22.966 18.442 24.048 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -21.974 17.177 23.284 1.00 0.00 H new ATOM 1113 N LYS A 71 -22.967 22.566 20.766 1.00 0.00 N ATOM 1114 CA LYS A 71 -23.056 23.465 19.627 1.00 0.00 C ATOM 1115 C LYS A 71 -21.721 23.579 18.930 1.00 0.00 C ATOM 1116 O LYS A 71 -20.731 23.958 19.553 1.00 0.00 O ATOM 1117 CB LYS A 71 -23.582 24.851 20.035 1.00 0.00 C ATOM 1118 CG LYS A 71 -25.094 24.930 20.252 1.00 0.00 C ATOM 1119 CD LYS A 71 -25.894 24.119 19.221 1.00 0.00 C ATOM 1120 CE LYS A 71 -27.172 24.789 18.749 1.00 0.00 C ATOM 1121 NZ LYS A 71 -28.233 24.758 19.771 1.00 0.00 N ATOM 0 H LYS A 71 -22.815 23.045 21.654 1.00 0.00 H new ATOM 0 HA LYS A 71 -23.774 23.038 18.927 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -23.082 25.157 20.954 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -23.302 25.570 19.265 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -25.331 24.569 21.253 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -25.407 25.973 20.207 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -25.259 23.927 18.356 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -26.145 23.151 19.654 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -26.959 25.824 18.482 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -27.527 24.293 17.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -29.085 25.227 19.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -28.457 23.771 20.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -27.907 25.254 20.625 1.00 0.00 H new ATOM 1135 N VAL A 72 -21.719 23.248 17.631 1.00 0.00 N ATOM 1136 CA VAL A 72 -20.551 23.318 16.765 1.00 0.00 C ATOM 1137 C VAL A 72 -20.927 23.551 15.304 1.00 0.00 C ATOM 1138 O VAL A 72 -22.048 23.262 14.913 1.00 0.00 O ATOM 1139 CB VAL A 72 -19.729 22.037 16.866 1.00 0.00 C ATOM 1140 CG1 VAL A 72 -19.263 21.723 18.261 1.00 0.00 C ATOM 1141 CG2 VAL A 72 -20.514 20.836 16.339 1.00 0.00 C ATOM 0 H VAL A 72 -22.555 22.917 17.149 1.00 0.00 H new ATOM 0 HA VAL A 72 -19.961 24.168 17.107 1.00 0.00 H new ATOM 0 HB VAL A 72 -18.847 22.221 16.252 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -18.686 20.799 18.252 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -18.638 22.537 18.628 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -20.127 21.605 18.915 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -19.904 19.937 16.423 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -21.425 20.712 16.924 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -20.774 21.001 15.293 1.00 0.00 H new ATOM 1151 N LYS A 73 -19.989 24.008 14.470 1.00 0.00 N ATOM 1152 CA LYS A 73 -20.261 24.312 13.059 1.00 0.00 C ATOM 1153 C LYS A 73 -19.064 23.933 12.213 1.00 0.00 C ATOM 1154 O LYS A 73 -17.919 24.066 12.640 1.00 0.00 O ATOM 1155 CB LYS A 73 -20.639 25.786 12.814 1.00 0.00 C ATOM 1156 CG LYS A 73 -20.374 26.664 14.037 1.00 0.00 C ATOM 1157 CD LYS A 73 -20.760 28.118 13.876 1.00 0.00 C ATOM 1158 CE LYS A 73 -19.995 28.847 12.759 1.00 0.00 C ATOM 1159 NZ LYS A 73 -18.528 28.811 12.948 1.00 0.00 N ATOM 0 H LYS A 73 -19.023 24.178 14.750 1.00 0.00 H new ATOM 0 HA LYS A 73 -21.129 23.719 12.770 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -20.071 26.168 11.965 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -21.694 25.849 12.546 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -20.918 26.251 14.887 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -19.313 26.610 14.281 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -21.829 28.179 13.670 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -20.587 28.636 14.819 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -20.244 28.394 11.799 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -20.326 29.885 12.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.104 29.665 12.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -18.310 28.774 13.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.138 27.969 12.479 1.00 0.00 H new ATOM 1173 N ALA A 74 -19.367 23.438 11.016 1.00 0.00 N ATOM 1174 CA ALA A 74 -18.433 22.705 10.198 1.00 0.00 C ATOM 1175 C ALA A 74 -17.448 23.626 9.503 1.00 0.00 C ATOM 1176 O ALA A 74 -17.854 24.454 8.688 1.00 0.00 O ATOM 1177 CB ALA A 74 -19.237 21.909 9.184 1.00 0.00 C ATOM 0 H ALA A 74 -20.287 23.542 10.589 1.00 0.00 H new ATOM 0 HA ALA A 74 -17.840 22.040 10.826 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -18.559 21.341 8.547 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -19.904 21.223 9.706 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -19.826 22.591 8.570 1.00 0.00 H new ATOM 1183 N GLN A 75 -16.162 23.443 9.816 1.00 0.00 N ATOM 1184 CA GLN A 75 -15.076 24.231 9.250 1.00 0.00 C ATOM 1185 C GLN A 75 -14.185 23.405 8.299 1.00 0.00 C ATOM 1186 O GLN A 75 -13.443 23.999 7.519 1.00 0.00 O ATOM 1187 CB GLN A 75 -14.286 24.924 10.370 1.00 0.00 C ATOM 1188 CG GLN A 75 -14.638 26.421 10.578 1.00 0.00 C ATOM 1189 CD GLN A 75 -16.118 26.751 10.844 1.00 0.00 C ATOM 1190 OE1 GLN A 75 -16.572 26.856 11.980 1.00 0.00 O ATOM 1191 NE2 GLN A 75 -16.896 26.992 9.795 1.00 0.00 N ATOM 0 H GLN A 75 -15.848 22.734 10.478 1.00 0.00 H new ATOM 0 HA GLN A 75 -15.508 25.012 8.624 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -14.461 24.390 11.304 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.222 24.842 10.150 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -14.050 26.796 11.415 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.320 26.972 9.693 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -16.520 26.905 8.851 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -17.869 27.264 9.934 1.00 0.00 H new ATOM 1200 N ASP A 76 -14.291 22.065 8.309 1.00 0.00 N ATOM 1201 CA ASP A 76 -13.623 21.153 7.381 1.00 0.00 C ATOM 1202 C ASP A 76 -14.399 19.838 7.367 1.00 0.00 C ATOM 1203 O ASP A 76 -14.297 19.042 8.296 1.00 0.00 O ATOM 1204 CB ASP A 76 -12.146 20.907 7.759 1.00 0.00 C ATOM 1205 CG ASP A 76 -11.519 19.743 6.971 1.00 0.00 C ATOM 1206 OD1 ASP A 76 -11.754 19.697 5.742 1.00 0.00 O ATOM 1207 OD2 ASP A 76 -10.820 18.907 7.592 1.00 0.00 O ATOM 0 H ASP A 76 -14.868 21.574 8.992 1.00 0.00 H new ATOM 0 HA ASP A 76 -13.613 21.605 6.389 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.572 21.815 7.576 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -12.078 20.696 8.826 1.00 0.00 H new ATOM 1212 N VAL A 77 -15.182 19.606 6.313 1.00 0.00 N ATOM 1213 CA VAL A 77 -15.657 18.276 5.956 1.00 0.00 C ATOM 1214 C VAL A 77 -14.735 17.747 4.847 1.00 0.00 C ATOM 1215 O VAL A 77 -14.394 18.461 3.902 1.00 0.00 O ATOM 1216 CB VAL A 77 -17.151 18.287 5.563 1.00 0.00 C ATOM 1217 CG1 VAL A 77 -18.070 18.897 6.642 1.00 0.00 C ATOM 1218 CG2 VAL A 77 -17.391 19.017 4.248 1.00 0.00 C ATOM 0 H VAL A 77 -15.504 20.341 5.683 1.00 0.00 H new ATOM 0 HA VAL A 77 -15.609 17.602 6.812 1.00 0.00 H new ATOM 0 HB VAL A 77 -17.411 17.234 5.453 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -19.104 18.871 6.297 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -17.981 18.322 7.564 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -17.776 19.930 6.829 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -18.455 19.000 4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -17.056 20.050 4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -16.834 18.524 3.451 1.00 0.00 H new ATOM 1228 N GLN A 78 -14.365 16.474 4.963 1.00 0.00 N ATOM 1229 CA GLN A 78 -13.489 15.751 4.051 1.00 0.00 C ATOM 1230 C GLN A 78 -14.370 14.782 3.266 1.00 0.00 C ATOM 1231 O GLN A 78 -14.900 13.828 3.835 1.00 0.00 O ATOM 1232 CB GLN A 78 -12.374 15.011 4.815 1.00 0.00 C ATOM 1233 CG GLN A 78 -11.411 15.941 5.577 1.00 0.00 C ATOM 1234 CD GLN A 78 -10.280 15.169 6.271 1.00 0.00 C ATOM 1235 OE1 GLN A 78 -9.847 14.121 5.798 1.00 0.00 O ATOM 1236 NE2 GLN A 78 -9.776 15.680 7.394 1.00 0.00 N ATOM 0 H GLN A 78 -14.686 15.891 5.736 1.00 0.00 H new ATOM 0 HA GLN A 78 -12.983 16.440 3.374 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -12.831 14.319 5.523 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -11.800 14.411 4.108 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -10.982 16.663 4.882 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -11.970 16.508 6.321 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.149 16.551 7.770 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -9.017 15.200 7.877 1.00 0.00 H new ATOM 1245 N ARG A 79 -14.571 15.057 1.972 1.00 0.00 N ATOM 1246 CA ARG A 79 -15.333 14.196 1.070 1.00 0.00 C ATOM 1247 C ARG A 79 -14.474 13.005 0.635 1.00 0.00 C ATOM 1248 O ARG A 79 -13.248 13.070 0.703 1.00 0.00 O ATOM 1249 CB ARG A 79 -15.789 15.014 -0.158 1.00 0.00 C ATOM 1250 CG ARG A 79 -17.244 14.747 -0.587 1.00 0.00 C ATOM 1251 CD ARG A 79 -18.288 15.142 0.473 1.00 0.00 C ATOM 1252 NE ARG A 79 -18.119 16.536 0.911 1.00 0.00 N ATOM 1253 CZ ARG A 79 -18.703 17.626 0.386 1.00 0.00 C ATOM 1254 NH1 ARG A 79 -19.590 17.535 -0.611 1.00 0.00 N ATOM 1255 NH2 ARG A 79 -18.382 18.828 0.872 1.00 0.00 N ATOM 0 H ARG A 79 -14.203 15.894 1.520 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.214 13.814 1.587 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.676 16.075 0.064 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.128 14.791 -0.995 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -17.448 15.296 -1.506 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -17.356 13.687 -0.817 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -19.290 15.008 0.065 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -18.203 14.478 1.333 1.00 0.00 H new ATOM 0 HE ARG A 79 -17.490 16.692 1.699 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -19.838 16.622 -0.991 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -20.018 18.379 -0.991 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -17.703 18.907 1.629 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -18.815 19.667 0.486 1.00 0.00 H new ATOM 1269 N HIS A 80 -15.116 11.943 0.134 1.00 0.00 N ATOM 1270 CA HIS A 80 -14.437 10.851 -0.545 1.00 0.00 C ATOM 1271 C HIS A 80 -13.859 11.328 -1.892 1.00 0.00 C ATOM 1272 O HIS A 80 -14.326 12.325 -2.446 1.00 0.00 O ATOM 1273 CB HIS A 80 -15.424 9.695 -0.750 1.00 0.00 C ATOM 1274 CG HIS A 80 -15.186 8.510 0.156 1.00 0.00 C ATOM 1275 ND1 HIS A 80 -15.253 8.502 1.531 1.00 0.00 N ATOM 1276 CD2 HIS A 80 -14.965 7.220 -0.247 1.00 0.00 C ATOM 1277 CE1 HIS A 80 -15.068 7.234 1.938 1.00 0.00 C ATOM 1278 NE2 HIS A 80 -14.890 6.416 0.890 1.00 0.00 N ATOM 0 H HIS A 80 -16.127 11.824 0.193 1.00 0.00 H new ATOM 0 HA HIS A 80 -13.604 10.504 0.067 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -16.437 10.064 -0.589 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -15.367 9.363 -1.787 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -14.866 6.884 -1.268 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -15.063 6.917 2.970 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -14.732 5.409 0.919 1.00 0.00 H new ATOM 1286 N PRO A 81 -12.874 10.599 -2.449 1.00 0.00 N ATOM 1287 CA PRO A 81 -12.136 11.009 -3.639 1.00 0.00 C ATOM 1288 C PRO A 81 -12.849 10.646 -4.950 1.00 0.00 C ATOM 1289 O PRO A 81 -12.635 11.316 -5.959 1.00 0.00 O ATOM 1290 CB PRO A 81 -10.800 10.269 -3.521 1.00 0.00 C ATOM 1291 CG PRO A 81 -11.180 8.958 -2.829 1.00 0.00 C ATOM 1292 CD PRO A 81 -12.331 9.362 -1.907 1.00 0.00 C ATOM 0 HA PRO A 81 -12.030 12.093 -3.681 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.351 10.092 -4.498 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.076 10.837 -2.936 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.489 8.199 -3.548 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.343 8.543 -2.268 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.094 8.584 -1.874 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -11.979 9.507 -0.886 1.00 0.00 H new ATOM 1300 N TYR A 82 -13.676 9.589 -4.944 1.00 0.00 N ATOM 1301 CA TYR A 82 -14.343 9.032 -6.121 1.00 0.00 C ATOM 1302 C TYR A 82 -15.753 8.511 -5.796 1.00 0.00 C ATOM 1303 O TYR A 82 -16.394 7.904 -6.653 1.00 0.00 O ATOM 1304 CB TYR A 82 -13.446 7.944 -6.751 1.00 0.00 C ATOM 1305 CG TYR A 82 -12.677 8.438 -7.961 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -13.309 8.464 -9.219 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -11.351 8.894 -7.835 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -12.623 8.942 -10.349 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -10.657 9.376 -8.960 1.00 0.00 C ATOM 1310 CZ TYR A 82 -11.293 9.402 -10.224 1.00 0.00 C ATOM 1311 OH TYR A 82 -10.633 9.872 -11.321 1.00 0.00 O ATOM 0 H TYR A 82 -13.904 9.084 -4.087 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.487 9.828 -6.851 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.741 7.583 -6.002 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -14.064 7.095 -7.042 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.326 8.115 -9.316 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.865 8.874 -6.871 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -13.112 8.958 -11.312 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.640 9.726 -8.859 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.729 10.150 -11.065 1.00 0.00 H new ATOM 1321 N LYS A 83 -16.247 8.754 -4.574 1.00 0.00 N ATOM 1322 CA LYS A 83 -17.598 8.425 -4.133 1.00 0.00 C ATOM 1323 C LYS A 83 -18.267 9.691 -3.584 1.00 0.00 C ATOM 1324 O LYS A 83 -17.570 10.573 -3.077 1.00 0.00 O ATOM 1325 CB LYS A 83 -17.563 7.370 -3.013 1.00 0.00 C ATOM 1326 CG LYS A 83 -17.452 5.908 -3.450 1.00 0.00 C ATOM 1327 CD LYS A 83 -16.084 5.475 -3.987 1.00 0.00 C ATOM 1328 CE LYS A 83 -16.078 3.946 -4.011 1.00 0.00 C ATOM 1329 NZ LYS A 83 -14.814 3.398 -4.541 1.00 0.00 N ATOM 0 H LYS A 83 -15.692 9.201 -3.844 1.00 0.00 H new ATOM 0 HA LYS A 83 -18.154 8.029 -4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -16.720 7.595 -2.360 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -18.468 7.479 -2.415 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.705 5.274 -2.600 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -18.200 5.721 -4.221 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -15.917 5.877 -4.986 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -15.283 5.854 -3.353 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -16.240 3.569 -3.001 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -16.909 3.591 -4.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.858 2.359 -4.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.670 3.735 -5.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.022 3.713 -3.945 1.00 0.00 H new ATOM 1343 N PRO A 84 -19.612 9.752 -3.581 1.00 0.00 N ATOM 1344 CA PRO A 84 -20.376 10.759 -2.858 1.00 0.00 C ATOM 1345 C PRO A 84 -20.452 10.364 -1.369 1.00 0.00 C ATOM 1346 O PRO A 84 -21.529 10.068 -0.853 1.00 0.00 O ATOM 1347 CB PRO A 84 -21.735 10.767 -3.570 1.00 0.00 C ATOM 1348 CG PRO A 84 -21.935 9.299 -3.951 1.00 0.00 C ATOM 1349 CD PRO A 84 -20.513 8.816 -4.246 1.00 0.00 C ATOM 0 HA PRO A 84 -19.941 11.758 -2.863 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -22.530 11.126 -2.917 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -21.727 11.414 -4.447 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -22.393 8.732 -3.141 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -22.584 9.194 -4.820 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -20.363 7.802 -3.875 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -20.326 8.793 -5.320 1.00 0.00 H new ATOM 1357 N LYS A 85 -19.296 10.308 -0.689 1.00 0.00 N ATOM 1358 CA LYS A 85 -19.166 9.858 0.698 1.00 0.00 C ATOM 1359 C LYS A 85 -18.287 10.842 1.484 1.00 0.00 C ATOM 1360 O LYS A 85 -17.888 11.879 0.958 1.00 0.00 O ATOM 1361 CB LYS A 85 -18.634 8.406 0.712 1.00 0.00 C ATOM 1362 CG LYS A 85 -19.649 7.355 0.239 1.00 0.00 C ATOM 1363 CD LYS A 85 -20.731 7.086 1.290 1.00 0.00 C ATOM 1364 CE LYS A 85 -21.771 6.098 0.764 1.00 0.00 C ATOM 1365 NZ LYS A 85 -22.854 5.884 1.747 1.00 0.00 N ATOM 0 H LYS A 85 -18.405 10.582 -1.103 1.00 0.00 H new ATOM 0 HA LYS A 85 -20.135 9.847 1.197 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -17.749 8.350 0.078 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -18.317 8.158 1.725 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -20.118 7.694 -0.685 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -19.128 6.426 0.010 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -20.273 6.689 2.196 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -21.219 8.022 1.563 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -22.192 6.473 -0.169 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -21.290 5.147 0.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -23.544 5.209 1.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -22.453 5.504 2.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -23.328 6.789 1.944 1.00 0.00 H new ATOM 1379 N LEU A 86 -18.007 10.532 2.753 1.00 0.00 N ATOM 1380 CA LEU A 86 -17.198 11.325 3.675 1.00 0.00 C ATOM 1381 C LEU A 86 -16.071 10.452 4.211 1.00 0.00 C ATOM 1382 O LEU A 86 -16.172 9.226 4.236 1.00 0.00 O ATOM 1383 CB LEU A 86 -18.063 11.832 4.842 1.00 0.00 C ATOM 1384 CG LEU A 86 -19.060 12.935 4.437 1.00 0.00 C ATOM 1385 CD1 LEU A 86 -20.289 12.905 5.358 1.00 0.00 C ATOM 1386 CD2 LEU A 86 -18.405 14.321 4.459 1.00 0.00 C ATOM 0 H LEU A 86 -18.358 9.677 3.184 1.00 0.00 H new ATOM 0 HA LEU A 86 -16.786 12.187 3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -18.615 10.993 5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -17.411 12.214 5.628 1.00 0.00 H new ATOM 0 HG LEU A 86 -19.380 12.738 3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -20.985 13.689 5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -20.780 11.935 5.279 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -19.975 13.070 6.389 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -19.137 15.074 4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -18.043 14.536 5.464 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -17.569 14.339 3.760 1.00 0.00 H new ATOM 1398 N GLN A 87 -15.005 11.113 4.654 1.00 0.00 N ATOM 1399 CA GLN A 87 -13.825 10.514 5.252 1.00 0.00 C ATOM 1400 C GLN A 87 -13.672 10.986 6.698 1.00 0.00 C ATOM 1401 O GLN A 87 -13.217 10.201 7.527 1.00 0.00 O ATOM 1402 CB GLN A 87 -12.589 10.859 4.404 1.00 0.00 C ATOM 1403 CG GLN A 87 -12.673 10.198 3.017 1.00 0.00 C ATOM 1404 CD GLN A 87 -11.346 10.228 2.260 1.00 0.00 C ATOM 1405 OE1 GLN A 87 -11.231 10.841 1.204 1.00 0.00 O ATOM 1406 NE2 GLN A 87 -10.339 9.530 2.777 1.00 0.00 N ATOM 0 H GLN A 87 -14.942 12.130 4.601 1.00 0.00 H new ATOM 0 HA GLN A 87 -13.929 9.429 5.272 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.510 11.940 4.292 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -11.687 10.525 4.916 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -12.996 9.163 3.133 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.435 10.705 2.424 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -10.464 9.030 3.657 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.442 9.495 2.293 1.00 0.00 H new ATOM 1415 N HIS A 88 -14.086 12.228 7.003 1.00 0.00 N ATOM 1416 CA HIS A 88 -13.974 12.869 8.312 1.00 0.00 C ATOM 1417 C HIS A 88 -14.614 14.245 8.270 1.00 0.00 C ATOM 1418 O HIS A 88 -14.780 14.819 7.195 1.00 0.00 O ATOM 1419 CB HIS A 88 -12.513 12.998 8.730 1.00 0.00 C ATOM 1420 CG HIS A 88 -12.354 13.573 10.104 1.00 0.00 C ATOM 1421 ND1 HIS A 88 -11.743 14.757 10.429 1.00 0.00 N ATOM 1422 CD2 HIS A 88 -12.790 12.992 11.261 1.00 0.00 C ATOM 1423 CE1 HIS A 88 -11.772 14.854 11.767 1.00 0.00 C ATOM 1424 NE2 HIS A 88 -12.419 13.818 12.316 1.00 0.00 N ATOM 0 H HIS A 88 -14.526 12.833 6.310 1.00 0.00 H new ATOM 0 HA HIS A 88 -14.492 12.247 9.043 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -12.041 12.016 8.695 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -11.989 13.630 8.013 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -11.343 15.434 9.779 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -13.327 12.058 11.342 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -11.330 15.664 12.329 1.00 0.00 H new ATOM 1432 N ILE A 89 -14.996 14.757 9.445 1.00 0.00 N ATOM 1433 CA ILE A 89 -15.610 16.062 9.600 1.00 0.00 C ATOM 1434 C ILE A 89 -15.093 16.694 10.893 1.00 0.00 C ATOM 1435 O ILE A 89 -14.891 16.028 11.906 1.00 0.00 O ATOM 1436 CB ILE A 89 -17.153 15.939 9.562 1.00 0.00 C ATOM 1437 CG1 ILE A 89 -17.616 15.330 8.221 1.00 0.00 C ATOM 1438 CG2 ILE A 89 -17.815 17.313 9.751 1.00 0.00 C ATOM 1439 CD1 ILE A 89 -19.094 15.000 8.167 1.00 0.00 C ATOM 0 H ILE A 89 -14.881 14.258 10.327 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.338 16.717 8.773 1.00 0.00 H new ATOM 0 HB ILE A 89 -17.454 15.283 10.379 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -17.381 16.028 7.417 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -17.045 14.421 8.031 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -18.899 17.202 9.721 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -17.520 17.730 10.714 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -17.497 17.983 8.953 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -19.337 14.577 7.192 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -19.334 14.277 8.946 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -19.676 15.909 8.323 1.00 0.00 H new ATOM 1451 N ASP A 90 -14.928 18.010 10.832 1.00 0.00 N ATOM 1452 CA ASP A 90 -14.447 18.883 11.882 1.00 0.00 C ATOM 1453 C ASP A 90 -15.566 19.883 12.141 1.00 0.00 C ATOM 1454 O ASP A 90 -16.085 20.475 11.189 1.00 0.00 O ATOM 1455 CB ASP A 90 -13.229 19.693 11.411 1.00 0.00 C ATOM 1456 CG ASP A 90 -11.969 18.908 11.045 1.00 0.00 C ATOM 1457 OD1 ASP A 90 -12.029 17.665 10.948 1.00 0.00 O ATOM 1458 OD2 ASP A 90 -10.924 19.574 10.882 1.00 0.00 O ATOM 0 H ASP A 90 -15.145 18.528 9.981 1.00 0.00 H new ATOM 0 HA ASP A 90 -14.169 18.294 12.756 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.528 20.278 10.541 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.969 20.402 12.198 1.00 0.00 H new ATOM 1463 N PHE A 91 -15.895 20.130 13.411 1.00 0.00 N ATOM 1464 CA PHE A 91 -16.746 21.229 13.803 1.00 0.00 C ATOM 1465 C PHE A 91 -15.946 22.087 14.786 1.00 0.00 C ATOM 1466 O PHE A 91 -15.101 21.551 15.507 1.00 0.00 O ATOM 1467 CB PHE A 91 -18.019 20.674 14.448 1.00 0.00 C ATOM 1468 CG PHE A 91 -18.591 19.361 13.935 1.00 0.00 C ATOM 1469 CD1 PHE A 91 -18.227 18.148 14.543 1.00 0.00 C ATOM 1470 CD2 PHE A 91 -19.581 19.354 12.937 1.00 0.00 C ATOM 1471 CE1 PHE A 91 -18.848 16.947 14.175 1.00 0.00 C ATOM 1472 CE2 PHE A 91 -20.229 18.151 12.597 1.00 0.00 C ATOM 1473 CZ PHE A 91 -19.858 16.945 13.215 1.00 0.00 C ATOM 0 H PHE A 91 -15.570 19.562 14.194 1.00 0.00 H new ATOM 0 HA PHE A 91 -17.048 21.836 12.949 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -17.823 20.554 15.514 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -18.796 21.432 14.350 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -17.460 18.141 15.303 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -19.845 20.271 12.431 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -18.543 16.020 14.637 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -21.016 18.155 11.857 1.00 0.00 H new ATOM 0 HZ PHE A 91 -20.352 16.023 12.948 1.00 0.00 H new ATOM 1483 N VAL A 92 -16.222 23.396 14.861 1.00 0.00 N ATOM 1484 CA VAL A 92 -15.581 24.252 15.867 1.00 0.00 C ATOM 1485 C VAL A 92 -16.602 24.601 16.942 1.00 0.00 C ATOM 1486 O VAL A 92 -17.786 24.679 16.628 1.00 0.00 O ATOM 1487 CB VAL A 92 -14.873 25.481 15.252 1.00 0.00 C ATOM 1488 CG1 VAL A 92 -14.426 25.207 13.818 1.00 0.00 C ATOM 1489 CG2 VAL A 92 -15.725 26.754 15.206 1.00 0.00 C ATOM 0 H VAL A 92 -16.876 23.880 14.246 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.769 23.700 16.339 1.00 0.00 H new ATOM 0 HB VAL A 92 -14.029 25.649 15.921 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -13.932 26.091 13.416 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -13.731 24.367 13.808 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.295 24.967 13.206 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -15.147 27.563 14.759 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -16.618 26.573 14.608 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -16.017 27.033 16.218 1.00 0.00 H new ATOM 1499 N ARG A 93 -16.140 24.824 18.182 1.00 0.00 N ATOM 1500 CA ARG A 93 -16.952 25.142 19.353 1.00 0.00 C ATOM 1501 C ARG A 93 -17.754 26.417 19.117 1.00 0.00 C ATOM 1502 O ARG A 93 -17.271 27.529 19.339 1.00 0.00 O ATOM 1503 CB ARG A 93 -16.070 25.324 20.598 1.00 0.00 C ATOM 1504 CG ARG A 93 -15.494 24.036 21.182 1.00 0.00 C ATOM 1505 CD ARG A 93 -16.535 23.138 21.873 1.00 0.00 C ATOM 1506 NE ARG A 93 -15.976 22.434 23.041 1.00 0.00 N ATOM 1507 CZ ARG A 93 -14.799 21.789 23.123 1.00 0.00 C ATOM 1508 NH1 ARG A 93 -14.114 21.470 22.024 1.00 0.00 N ATOM 1509 NH2 ARG A 93 -14.290 21.482 24.318 1.00 0.00 N ATOM 0 H ARG A 93 -15.144 24.784 18.399 1.00 0.00 H new ATOM 0 HA ARG A 93 -17.635 24.309 19.519 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -15.245 25.990 20.345 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -16.657 25.823 21.369 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -15.015 23.470 20.383 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -14.716 24.292 21.902 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -17.383 23.745 22.189 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -16.914 22.408 21.158 1.00 0.00 H new ATOM 0 HE ARG A 93 -16.548 22.436 23.885 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -14.482 21.715 21.105 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -13.223 20.981 22.103 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -14.794 21.737 25.168 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -13.397 20.993 24.382 1.00 0.00 H new ATOM 1523 N ALA A 94 -18.986 26.225 18.657 1.00 0.00 N ATOM 1524 CA ALA A 94 -19.983 27.279 18.570 1.00 0.00 C ATOM 1525 C ALA A 94 -20.495 27.712 19.947 1.00 0.00 C ATOM 1526 O ALA A 94 -20.881 28.898 20.048 1.00 0.00 O ATOM 1527 CB ALA A 94 -21.114 26.765 17.713 1.00 0.00 C ATOM 1528 OXT ALA A 94 -20.541 26.857 20.858 1.00 0.00 O ATOM 0 H ALA A 94 -19.322 25.319 18.330 1.00 0.00 H new ATOM 0 HA ALA A 94 -19.532 28.167 18.127 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -21.883 27.533 17.626 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -20.735 26.517 16.721 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.542 25.874 18.172 1.00 0.00 H new