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 62 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 48 MET CE :methyl 176:sc= -2.02 (180deg=-1.58) USER MOD Set 2.2: A 51 GLN : amide:sc= -2.67! C(o=-4.7!,f=-7.8!) USER MOD Set 3.1: A 10 LYS NZ :NH3+ -155:sc= 0.39 (180deg=0) USER MOD Set 3.2: A 12 GLN : amide:sc= -2.78 K(o=-2.4,f=-9.5!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN :FLIP amide:sc= -0.895 F(o=-1.8,f=-0.89) USER MOD Single : A 14 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0508) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 144:sc= 1.12 (180deg=0.271) USER MOD Single : A 31 TYR OH : rot -162:sc= 1.27 USER MOD Single : A 44 HIS : no HE2:sc= -0.492 K(o=-0.49,f=-8.9!) USER MOD Single : A 46 LYS NZ :NH3+ 135:sc= -0.717 (180deg=-1.2) USER MOD Single : A 49 ASN : amide:sc= -0.0011 X(o=-0.0011,f=-0.0025) USER MOD Single : A 50 MET CE :methyl -153:sc= -1.45 (180deg=-3.77!) USER MOD Single : A 53 LYS NZ :NH3+ -153:sc= 1.15 (180deg=0.661) USER MOD Single : A 57 TYR OH : rot 180: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 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.35) USER MOD Single : A 78 GLN : amide:sc= 0.135 K(o=0.13,f=-0.74) USER MOD Single : A 80 HIS : no HD1:sc= -1.84 K(o=-1.8,f=-3.3) 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 :FLIP amide:sc= -0.153 F(o=-1,f=-0.15) USER MOD Single : A 88 HIS : no HD1:sc= -0.849 X(o=-0.85,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -30.783 20.749 13.280 1.00 0.00 N ATOM 21 CA PHE A 2 -29.999 19.718 12.602 1.00 0.00 C ATOM 22 C PHE A 2 -29.696 18.559 13.561 1.00 0.00 C ATOM 23 O PHE A 2 -30.242 17.475 13.391 1.00 0.00 O ATOM 24 CB PHE A 2 -28.720 20.337 12.001 1.00 0.00 C ATOM 25 CG PHE A 2 -28.914 21.707 11.372 1.00 0.00 C ATOM 26 CD1 PHE A 2 -29.421 21.837 10.065 1.00 0.00 C ATOM 27 CD2 PHE A 2 -28.624 22.862 12.125 1.00 0.00 C ATOM 28 CE1 PHE A 2 -29.641 23.116 9.521 1.00 0.00 C ATOM 29 CE2 PHE A 2 -28.835 24.137 11.579 1.00 0.00 C ATOM 30 CZ PHE A 2 -29.349 24.265 10.278 1.00 0.00 C ATOM 0 HA PHE A 2 -30.578 19.303 11.777 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -27.967 20.415 12.785 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -28.324 19.658 11.246 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -29.641 20.956 9.480 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -28.237 22.765 13.129 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -30.035 23.216 8.520 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -28.603 25.019 12.158 1.00 0.00 H new ATOM 0 HZ PHE A 2 -29.520 25.246 9.859 1.00 0.00 H new ATOM 40 N THR A 3 -28.891 18.836 14.595 1.00 0.00 N ATOM 41 CA THR A 3 -28.589 17.997 15.754 1.00 0.00 C ATOM 42 C THR A 3 -28.048 16.590 15.420 1.00 0.00 C ATOM 43 O THR A 3 -28.803 15.660 15.131 1.00 0.00 O ATOM 44 CB THR A 3 -29.814 17.914 16.663 1.00 0.00 C ATOM 45 OG1 THR A 3 -30.404 19.185 16.873 1.00 0.00 O ATOM 46 CG2 THR A 3 -29.464 17.319 18.034 1.00 0.00 C ATOM 0 H THR A 3 -28.395 19.726 14.643 1.00 0.00 H new ATOM 0 HA THR A 3 -27.765 18.488 16.272 1.00 0.00 H new ATOM 0 HB THR A 3 -30.521 17.264 16.148 1.00 0.00 H new ATOM 0 HG1 THR A 3 -31.185 19.091 17.458 1.00 0.00 H new ATOM 0 HG21 THR A 3 -30.361 17.276 18.652 1.00 0.00 H new ATOM 0 HG22 THR A 3 -29.065 16.313 17.903 1.00 0.00 H new ATOM 0 HG23 THR A 3 -28.717 17.945 18.522 1.00 0.00 H new ATOM 54 N ILE A 4 -26.725 16.413 15.508 1.00 0.00 N ATOM 55 CA ILE A 4 -26.028 15.252 14.967 1.00 0.00 C ATOM 56 C ILE A 4 -25.674 14.324 16.127 1.00 0.00 C ATOM 57 O ILE A 4 -24.594 14.419 16.689 1.00 0.00 O ATOM 58 CB ILE A 4 -24.818 15.638 14.069 1.00 0.00 C ATOM 59 CG1 ILE A 4 -24.625 17.136 13.772 1.00 0.00 C ATOM 60 CG2 ILE A 4 -24.857 14.830 12.770 1.00 0.00 C ATOM 61 CD1 ILE A 4 -25.757 17.786 12.945 1.00 0.00 C ATOM 0 H ILE A 4 -26.105 17.083 15.963 1.00 0.00 H new ATOM 0 HA ILE A 4 -26.684 14.713 14.284 1.00 0.00 H new ATOM 0 HB ILE A 4 -23.944 15.384 14.668 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -24.533 17.670 14.718 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -23.684 17.267 13.239 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -24.007 15.105 12.145 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -24.808 13.766 13.002 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -25.783 15.043 12.237 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -25.532 18.841 12.787 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -25.838 17.284 11.981 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -26.700 17.693 13.483 1.00 0.00 H new ATOM 73 N ASN A 5 -26.606 13.454 16.525 1.00 0.00 N ATOM 74 CA ASN A 5 -26.524 12.671 17.754 1.00 0.00 C ATOM 75 C ASN A 5 -25.342 11.689 17.706 1.00 0.00 C ATOM 76 O ASN A 5 -25.490 10.588 17.174 1.00 0.00 O ATOM 77 CB ASN A 5 -27.857 11.946 18.009 1.00 0.00 C ATOM 78 CG ASN A 5 -28.978 12.846 18.536 1.00 0.00 C ATOM 79 OD1 ASN A 5 -29.324 13.925 17.834 1.00 0.00 O flip ATOM 80 ND2 ASN A 5 -29.539 12.575 19.592 1.00 0.00 N flip ATOM 0 H ASN A 5 -27.455 13.273 15.989 1.00 0.00 H new ATOM 0 HA ASN A 5 -26.343 13.348 18.589 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -28.187 11.482 17.080 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -27.687 11.141 18.724 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -29.263 11.746 20.118 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -30.282 13.179 19.945 1.00 0.00 H new ATOM 87 N ALA A 6 -24.166 12.100 18.205 1.00 0.00 N ATOM 88 CA ALA A 6 -22.934 11.325 18.157 1.00 0.00 C ATOM 89 C ALA A 6 -22.811 10.552 19.480 1.00 0.00 C ATOM 90 O ALA A 6 -23.784 10.360 20.210 1.00 0.00 O ATOM 91 CB ALA A 6 -21.740 12.266 17.840 1.00 0.00 C ATOM 0 H ALA A 6 -24.051 13.004 18.663 1.00 0.00 H new ATOM 0 HA ALA A 6 -22.937 10.586 17.355 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -20.818 11.685 17.804 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -21.903 12.748 16.876 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -21.660 13.026 18.617 1.00 0.00 H new ATOM 97 N GLU A 7 -21.601 10.104 19.787 1.00 0.00 N ATOM 98 CA GLU A 7 -21.152 9.609 21.075 1.00 0.00 C ATOM 99 C GLU A 7 -19.662 9.943 21.120 1.00 0.00 C ATOM 100 O GLU A 7 -19.005 9.950 20.084 1.00 0.00 O ATOM 101 CB GLU A 7 -21.425 8.098 21.215 1.00 0.00 C ATOM 102 CG GLU A 7 -20.648 7.261 20.189 1.00 0.00 C ATOM 103 CD GLU A 7 -21.060 5.788 20.174 1.00 0.00 C ATOM 104 OE1 GLU A 7 -22.124 5.499 19.583 1.00 0.00 O ATOM 105 OE2 GLU A 7 -20.296 4.969 20.736 1.00 0.00 O ATOM 0 H GLU A 7 -20.857 10.076 19.090 1.00 0.00 H new ATOM 0 HA GLU A 7 -21.684 10.066 21.910 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -21.156 7.775 22.221 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -22.493 7.913 21.096 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -20.800 7.684 19.196 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -19.582 7.331 20.406 1.00 0.00 H new ATOM 112 N VAL A 8 -19.115 10.236 22.295 1.00 0.00 N ATOM 113 CA VAL A 8 -17.691 10.526 22.439 1.00 0.00 C ATOM 114 C VAL A 8 -16.862 9.275 22.171 1.00 0.00 C ATOM 115 O VAL A 8 -17.230 8.170 22.571 1.00 0.00 O ATOM 116 CB VAL A 8 -17.404 11.105 23.833 1.00 0.00 C ATOM 117 CG1 VAL A 8 -17.818 12.574 23.849 1.00 0.00 C ATOM 118 CG2 VAL A 8 -18.142 10.366 24.955 1.00 0.00 C ATOM 0 H VAL A 8 -19.640 10.279 23.168 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.406 11.275 21.701 1.00 0.00 H new ATOM 0 HB VAL A 8 -16.337 10.987 24.020 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -17.619 12.997 24.834 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -17.249 13.121 23.097 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -18.882 12.655 23.627 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -17.897 10.823 25.914 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -19.217 10.429 24.787 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -17.837 9.320 24.963 1.00 0.00 H new ATOM 128 N ARG A 9 -15.719 9.482 21.511 1.00 0.00 N ATOM 129 CA ARG A 9 -14.740 8.433 21.243 1.00 0.00 C ATOM 130 C ARG A 9 -13.323 8.895 21.555 1.00 0.00 C ATOM 131 O ARG A 9 -13.043 10.089 21.512 1.00 0.00 O ATOM 132 CB ARG A 9 -14.893 7.891 19.824 1.00 0.00 C ATOM 133 CG ARG A 9 -14.625 8.966 18.791 1.00 0.00 C ATOM 134 CD ARG A 9 -14.374 8.405 17.403 1.00 0.00 C ATOM 135 NE ARG A 9 -13.868 9.535 16.641 1.00 0.00 N ATOM 136 CZ ARG A 9 -12.729 9.618 15.936 1.00 0.00 C ATOM 137 NH1 ARG A 9 -11.996 8.531 15.684 1.00 0.00 N ATOM 138 NH2 ARG A 9 -12.322 10.810 15.493 1.00 0.00 N ATOM 0 H ARG A 9 -15.447 10.394 21.145 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.939 7.601 21.918 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.204 7.060 19.674 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.901 7.498 19.690 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.476 9.646 18.754 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.761 9.553 19.101 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.652 7.589 17.429 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -15.289 8.008 16.964 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.453 10.371 16.642 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.299 7.620 16.029 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.133 8.611 15.147 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.875 11.644 15.692 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.458 10.887 14.956 1.00 0.00 H new ATOM 152 N LYS A 10 -12.426 7.934 21.800 1.00 0.00 N ATOM 153 CA LYS A 10 -10.977 8.111 21.871 1.00 0.00 C ATOM 154 C LYS A 10 -10.193 6.996 21.148 1.00 0.00 C ATOM 155 O LYS A 10 -8.970 7.058 21.069 1.00 0.00 O ATOM 156 CB LYS A 10 -10.525 8.290 23.322 1.00 0.00 C ATOM 157 CG LYS A 10 -10.858 9.676 23.905 1.00 0.00 C ATOM 158 CD LYS A 10 -10.031 10.853 23.336 1.00 0.00 C ATOM 159 CE LYS A 10 -10.671 11.638 22.171 1.00 0.00 C ATOM 160 NZ LYS A 10 -9.727 12.636 21.616 1.00 0.00 N ATOM 0 H LYS A 10 -12.707 6.967 21.961 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.740 9.026 21.328 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.996 7.524 23.938 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.449 8.129 23.381 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.915 9.880 23.732 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.713 9.641 24.985 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.826 11.551 24.148 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.070 10.465 23.000 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.976 10.946 21.386 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.573 12.141 22.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.261 13.405 21.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.142 13.025 22.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.114 12.179 20.911 1.00 0.00 H new ATOM 174 N GLU A 11 -10.893 6.017 20.566 1.00 0.00 N ATOM 175 CA GLU A 11 -10.364 4.874 19.795 1.00 0.00 C ATOM 176 C GLU A 11 -9.688 5.227 18.448 1.00 0.00 C ATOM 177 O GLU A 11 -9.393 4.332 17.653 1.00 0.00 O ATOM 178 CB GLU A 11 -11.439 3.769 19.606 1.00 0.00 C ATOM 179 CG GLU A 11 -12.921 4.152 19.734 1.00 0.00 C ATOM 180 CD GLU A 11 -13.391 4.246 21.185 1.00 0.00 C ATOM 181 OE1 GLU A 11 -13.582 3.182 21.811 1.00 0.00 O ATOM 182 OE2 GLU A 11 -13.558 5.394 21.647 1.00 0.00 O ATOM 0 H GLU A 11 -11.911 5.995 20.621 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.554 4.490 20.415 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.295 3.333 18.618 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.237 2.983 20.334 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.087 5.110 19.242 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.528 3.415 19.209 1.00 0.00 H new ATOM 189 N GLN A 12 -9.437 6.510 18.173 1.00 0.00 N ATOM 190 CA GLN A 12 -8.902 7.014 16.902 1.00 0.00 C ATOM 191 C GLN A 12 -7.625 6.319 16.418 1.00 0.00 C ATOM 192 O GLN A 12 -7.442 6.204 15.210 1.00 0.00 O ATOM 193 CB GLN A 12 -8.649 8.523 16.952 1.00 0.00 C ATOM 194 CG GLN A 12 -8.165 9.113 18.268 1.00 0.00 C ATOM 195 CD GLN A 12 -9.284 9.610 19.193 1.00 0.00 C ATOM 196 OE1 GLN A 12 -8.989 10.253 20.189 1.00 0.00 O ATOM 197 NE2 GLN A 12 -10.573 9.350 18.928 1.00 0.00 N ATOM 0 H GLN A 12 -9.606 7.253 18.851 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.686 6.780 16.182 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.914 8.766 16.185 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.575 9.028 16.678 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.582 8.359 18.797 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.492 9.944 18.054 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.825 8.814 18.098 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.301 9.689 19.557 1.00 0.00 H new ATOM 206 N GLY A 13 -6.795 5.830 17.346 1.00 0.00 N ATOM 207 CA GLY A 13 -5.558 5.079 17.101 1.00 0.00 C ATOM 208 C GLY A 13 -5.650 3.894 16.115 1.00 0.00 C ATOM 209 O GLY A 13 -4.603 3.419 15.686 1.00 0.00 O ATOM 0 H GLY A 13 -6.978 5.954 18.342 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.806 5.774 16.728 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.195 4.699 18.056 1.00 0.00 H new ATOM 213 N LYS A 14 -6.875 3.459 15.756 1.00 0.00 N ATOM 214 CA LYS A 14 -7.354 2.680 14.595 1.00 0.00 C ATOM 215 C LYS A 14 -8.671 1.972 14.902 1.00 0.00 C ATOM 216 O LYS A 14 -9.457 1.758 13.978 1.00 0.00 O ATOM 217 CB LYS A 14 -6.372 1.651 13.983 1.00 0.00 C ATOM 218 CG LYS A 14 -5.934 1.944 12.544 1.00 0.00 C ATOM 219 CD LYS A 14 -7.048 1.892 11.488 1.00 0.00 C ATOM 220 CE LYS A 14 -6.560 2.303 10.088 1.00 0.00 C ATOM 221 NZ LYS A 14 -5.352 1.579 9.637 1.00 0.00 N ATOM 0 H LYS A 14 -7.665 3.679 16.363 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.477 3.452 13.835 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.484 1.601 14.613 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.839 0.666 14.011 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.478 2.933 12.516 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.160 1.228 12.266 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.454 0.882 11.444 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.862 2.550 11.792 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.362 2.133 9.370 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.352 3.373 10.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.133 1.846 8.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.550 1.826 10.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.523 0.554 9.687 1.00 0.00 H new ATOM 235 N GLY A 15 -8.919 1.618 16.172 1.00 0.00 N ATOM 236 CA GLY A 15 -10.105 0.885 16.604 1.00 0.00 C ATOM 237 C GLY A 15 -11.410 1.581 16.205 1.00 0.00 C ATOM 238 O GLY A 15 -12.399 0.910 15.911 1.00 0.00 O ATOM 0 H GLY A 15 -8.284 1.841 16.938 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.085 -0.116 16.172 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.078 0.766 17.687 1.00 0.00 H new ATOM 242 N ALA A 16 -11.400 2.918 16.155 1.00 0.00 N ATOM 243 CA ALA A 16 -12.522 3.731 15.731 1.00 0.00 C ATOM 244 C ALA A 16 -12.736 3.584 14.232 1.00 0.00 C ATOM 245 O ALA A 16 -13.820 3.219 13.795 1.00 0.00 O ATOM 246 CB ALA A 16 -12.302 5.191 16.114 1.00 0.00 C ATOM 0 H ALA A 16 -10.583 3.470 16.418 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.421 3.385 16.241 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.155 5.785 15.787 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.197 5.271 17.196 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.397 5.561 15.633 1.00 0.00 H new ATOM 252 N SER A 17 -11.708 3.838 13.428 1.00 0.00 N ATOM 253 CA SER A 17 -11.893 3.889 11.976 1.00 0.00 C ATOM 254 C SER A 17 -12.365 2.541 11.393 1.00 0.00 C ATOM 255 O SER A 17 -12.994 2.526 10.335 1.00 0.00 O ATOM 256 CB SER A 17 -10.633 4.426 11.292 1.00 0.00 C ATOM 257 OG SER A 17 -10.411 5.761 11.709 1.00 0.00 O ATOM 0 H SER A 17 -10.754 4.009 13.746 1.00 0.00 H new ATOM 0 HA SER A 17 -12.701 4.590 11.767 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.774 3.805 11.546 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.747 4.385 10.209 1.00 0.00 H new ATOM 0 HG SER A 17 -9.604 6.109 11.275 1.00 0.00 H new ATOM 263 N ARG A 18 -12.165 1.429 12.123 1.00 0.00 N ATOM 264 CA ARG A 18 -12.623 0.094 11.759 1.00 0.00 C ATOM 265 C ARG A 18 -13.986 -0.258 12.365 1.00 0.00 C ATOM 266 O ARG A 18 -14.742 -0.932 11.676 1.00 0.00 O ATOM 267 CB ARG A 18 -11.540 -0.973 12.021 1.00 0.00 C ATOM 268 CG ARG A 18 -11.082 -1.151 13.479 1.00 0.00 C ATOM 269 CD ARG A 18 -11.926 -2.114 14.324 1.00 0.00 C ATOM 270 NE ARG A 18 -11.697 -3.525 13.964 1.00 0.00 N ATOM 271 CZ ARG A 18 -11.380 -4.518 14.814 1.00 0.00 C ATOM 272 NH1 ARG A 18 -11.178 -4.293 16.116 1.00 0.00 N ATOM 273 NH2 ARG A 18 -11.267 -5.773 14.376 1.00 0.00 N ATOM 0 H ARG A 18 -11.662 1.445 13.010 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.791 0.101 10.682 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.914 -1.932 11.663 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.666 -0.726 11.418 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.051 -1.505 13.477 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.082 -0.175 13.963 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.692 -1.968 15.379 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.982 -1.876 14.196 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.787 -3.771 12.978 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.263 -3.348 16.489 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.939 -5.067 16.736 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.421 -5.985 13.390 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.026 -6.521 15.027 1.00 0.00 H new ATOM 287 N ARG A 19 -14.347 0.188 13.584 1.00 0.00 N ATOM 288 CA ARG A 19 -15.691 -0.077 14.140 1.00 0.00 C ATOM 289 C ARG A 19 -16.735 0.794 13.438 1.00 0.00 C ATOM 290 O ARG A 19 -17.837 0.341 13.138 1.00 0.00 O ATOM 291 CB ARG A 19 -15.763 0.137 15.667 1.00 0.00 C ATOM 292 CG ARG A 19 -15.707 1.615 16.069 1.00 0.00 C ATOM 293 CD ARG A 19 -15.409 1.857 17.535 1.00 0.00 C ATOM 294 NE ARG A 19 -16.575 2.366 18.262 1.00 0.00 N ATOM 295 CZ ARG A 19 -16.682 2.522 19.591 1.00 0.00 C ATOM 296 NH1 ARG A 19 -15.773 1.991 20.414 1.00 0.00 N ATOM 297 NH2 ARG A 19 -17.693 3.243 20.083 1.00 0.00 N ATOM 0 H ARG A 19 -13.736 0.727 14.197 1.00 0.00 H new ATOM 0 HA ARG A 19 -15.905 -1.130 13.957 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -16.686 -0.302 16.047 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -14.938 -0.394 16.142 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -14.945 2.113 15.469 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -16.661 2.082 15.823 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -15.075 0.927 17.994 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -14.589 2.569 17.624 1.00 0.00 H new ATOM 0 HE ARG A 19 -17.386 2.628 17.702 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -14.989 1.461 20.034 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -15.864 2.115 21.422 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -18.372 3.667 19.451 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -17.786 3.369 21.091 1.00 0.00 H new ATOM 311 N LEU A 20 -16.370 2.054 13.188 1.00 0.00 N ATOM 312 CA LEU A 20 -17.228 3.028 12.549 1.00 0.00 C ATOM 313 C LEU A 20 -17.537 2.595 11.125 1.00 0.00 C ATOM 314 O LEU A 20 -18.719 2.450 10.810 1.00 0.00 O ATOM 315 CB LEU A 20 -16.629 4.440 12.615 1.00 0.00 C ATOM 316 CG LEU A 20 -16.898 5.095 13.986 1.00 0.00 C ATOM 317 CD1 LEU A 20 -15.710 5.168 14.928 1.00 0.00 C ATOM 318 CD2 LEU A 20 -17.287 6.553 13.822 1.00 0.00 C ATOM 0 H LEU A 20 -15.451 2.423 13.432 1.00 0.00 H new ATOM 0 HA LEU A 20 -18.170 3.074 13.095 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -15.555 4.391 12.437 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.056 5.057 11.824 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.672 4.450 14.401 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -16.013 5.646 15.859 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.349 4.161 15.138 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.913 5.749 14.464 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.472 6.993 14.802 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.478 7.092 13.329 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -18.191 6.623 13.217 1.00 0.00 H new ATOM 330 N ARG A 21 -16.518 2.313 10.293 1.00 0.00 N ATOM 331 CA ARG A 21 -16.788 1.768 8.962 1.00 0.00 C ATOM 332 C ARG A 21 -17.531 0.433 9.032 1.00 0.00 C ATOM 333 O ARG A 21 -18.296 0.127 8.118 1.00 0.00 O ATOM 334 CB ARG A 21 -15.510 1.687 8.105 1.00 0.00 C ATOM 335 CG ARG A 21 -14.662 0.439 8.390 1.00 0.00 C ATOM 336 CD ARG A 21 -13.310 0.471 7.674 1.00 0.00 C ATOM 337 NE ARG A 21 -12.567 -0.778 7.913 1.00 0.00 N ATOM 338 CZ ARG A 21 -11.292 -1.021 7.567 1.00 0.00 C ATOM 339 NH1 ARG A 21 -10.545 -0.082 6.975 1.00 0.00 N ATOM 340 NH2 ARG A 21 -10.762 -2.224 7.814 1.00 0.00 N ATOM 0 H ARG A 21 -15.532 2.450 10.514 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.455 2.467 8.458 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.787 1.696 7.051 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.905 2.576 8.283 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.498 0.353 9.464 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.213 -0.449 8.079 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.462 0.611 6.604 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.726 1.321 8.026 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.068 -1.530 8.386 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.942 0.837 6.779 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.579 -0.285 6.720 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.325 -2.947 8.261 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.795 -2.418 7.555 1.00 0.00 H new ATOM 354 N ALA A 22 -17.351 -0.329 10.122 1.00 0.00 N ATOM 355 CA ALA A 22 -18.057 -1.598 10.296 1.00 0.00 C ATOM 356 C ALA A 22 -19.546 -1.433 10.644 1.00 0.00 C ATOM 357 O ALA A 22 -20.287 -2.412 10.565 1.00 0.00 O ATOM 358 CB ALA A 22 -17.341 -2.434 11.350 1.00 0.00 C ATOM 0 H ALA A 22 -16.725 -0.086 10.890 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.038 -2.111 9.335 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -17.865 -3.380 11.482 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -16.318 -2.628 11.027 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -17.327 -1.893 12.296 1.00 0.00 H new ATOM 364 N ALA A 23 -19.997 -0.217 10.983 1.00 0.00 N ATOM 365 CA ALA A 23 -21.377 0.101 11.337 1.00 0.00 C ATOM 366 C ALA A 23 -21.950 1.243 10.507 1.00 0.00 C ATOM 367 O ALA A 23 -22.950 1.834 10.920 1.00 0.00 O ATOM 368 CB ALA A 23 -21.457 0.469 12.814 1.00 0.00 C ATOM 0 H ALA A 23 -19.384 0.598 11.018 1.00 0.00 H new ATOM 0 HA ALA A 23 -21.972 -0.788 11.128 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -22.489 0.706 13.075 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -21.114 -0.371 13.417 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -20.826 1.336 13.008 1.00 0.00 H new ATOM 374 N ASN A 24 -21.334 1.571 9.358 1.00 0.00 N ATOM 375 CA ASN A 24 -21.794 2.635 8.470 1.00 0.00 C ATOM 376 C ASN A 24 -21.694 4.034 9.108 1.00 0.00 C ATOM 377 O ASN A 24 -22.186 5.014 8.548 1.00 0.00 O ATOM 378 CB ASN A 24 -23.204 2.284 7.958 1.00 0.00 C ATOM 379 CG ASN A 24 -23.149 1.644 6.577 1.00 0.00 C ATOM 380 OD1 ASN A 24 -23.435 2.282 5.569 1.00 0.00 O ATOM 381 ND2 ASN A 24 -22.761 0.370 6.524 1.00 0.00 N ATOM 0 H ASN A 24 -20.496 1.096 9.023 1.00 0.00 H new ATOM 0 HA ASN A 24 -21.127 2.696 7.610 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -23.688 1.603 8.658 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -23.814 3.187 7.919 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -22.694 -0.106 5.624 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -22.531 -0.129 7.383 1.00 0.00 H new ATOM 388 N LYS A 25 -21.025 4.136 10.261 1.00 0.00 N ATOM 389 CA LYS A 25 -20.632 5.376 10.892 1.00 0.00 C ATOM 390 C LYS A 25 -19.281 5.808 10.315 1.00 0.00 C ATOM 391 O LYS A 25 -18.687 5.113 9.487 1.00 0.00 O ATOM 392 CB LYS A 25 -20.618 5.159 12.415 1.00 0.00 C ATOM 393 CG LYS A 25 -22.038 4.853 12.921 1.00 0.00 C ATOM 394 CD LYS A 25 -22.269 5.291 14.373 1.00 0.00 C ATOM 395 CE LYS A 25 -23.721 5.703 14.631 1.00 0.00 C ATOM 396 NZ LYS A 25 -24.690 4.663 14.231 1.00 0.00 N ATOM 0 H LYS A 25 -20.736 3.315 10.793 1.00 0.00 H new ATOM 0 HA LYS A 25 -21.333 6.187 10.692 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.949 4.336 12.666 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.230 6.048 12.913 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -22.762 5.353 12.278 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -22.224 3.782 12.837 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -22.001 4.475 15.044 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.609 6.126 14.608 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -23.849 5.924 15.691 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -23.936 6.622 14.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -25.486 4.655 14.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -25.043 4.867 13.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -24.224 3.733 14.237 1.00 0.00 H new ATOM 410 N PHE A 26 -18.795 6.974 10.736 1.00 0.00 N ATOM 411 CA PHE A 26 -17.488 7.487 10.362 1.00 0.00 C ATOM 412 C PHE A 26 -17.109 8.545 11.419 1.00 0.00 C ATOM 413 O PHE A 26 -17.994 9.115 12.071 1.00 0.00 O ATOM 414 CB PHE A 26 -17.515 8.068 8.932 1.00 0.00 C ATOM 415 CG PHE A 26 -18.056 9.472 8.917 1.00 0.00 C ATOM 416 CD1 PHE A 26 -19.375 9.694 9.344 1.00 0.00 C ATOM 417 CD2 PHE A 26 -17.177 10.554 8.743 1.00 0.00 C ATOM 418 CE1 PHE A 26 -19.775 10.977 9.715 1.00 0.00 C ATOM 419 CE2 PHE A 26 -17.598 11.844 9.091 1.00 0.00 C ATOM 420 CZ PHE A 26 -18.872 12.047 9.629 1.00 0.00 C ATOM 0 H PHE A 26 -19.311 7.596 11.358 1.00 0.00 H new ATOM 0 HA PHE A 26 -16.739 6.696 10.344 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -16.507 8.061 8.516 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -18.128 7.434 8.292 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -20.077 8.874 9.385 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.186 10.393 8.345 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -20.781 11.147 10.069 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.936 12.684 8.943 1.00 0.00 H new ATOM 0 HZ PHE A 26 -19.161 13.027 9.978 1.00 0.00 H new ATOM 430 N PRO A 27 -15.810 8.775 11.656 1.00 0.00 N ATOM 431 CA PRO A 27 -15.372 9.643 12.740 1.00 0.00 C ATOM 432 C PRO A 27 -15.604 11.128 12.459 1.00 0.00 C ATOM 433 O PRO A 27 -15.652 11.559 11.309 1.00 0.00 O ATOM 434 CB PRO A 27 -13.886 9.334 12.908 1.00 0.00 C ATOM 435 CG PRO A 27 -13.452 8.719 11.579 1.00 0.00 C ATOM 436 CD PRO A 27 -14.704 7.964 11.168 1.00 0.00 C ATOM 0 HA PRO A 27 -15.948 9.452 13.645 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.318 10.238 13.128 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.718 8.644 13.735 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.173 9.478 10.848 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.594 8.057 11.695 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.753 7.840 10.086 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -14.724 6.965 11.605 1.00 0.00 H new ATOM 444 N ALA A 28 -15.655 11.914 13.540 1.00 0.00 N ATOM 445 CA ALA A 28 -15.506 13.362 13.511 1.00 0.00 C ATOM 446 C ALA A 28 -14.635 13.848 14.673 1.00 0.00 C ATOM 447 O ALA A 28 -14.210 13.058 15.524 1.00 0.00 O ATOM 448 CB ALA A 28 -16.880 14.051 13.519 1.00 0.00 C ATOM 0 H ALA A 28 -15.805 11.546 14.479 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.001 13.633 12.584 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.745 15.132 13.497 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.449 13.738 12.643 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.422 13.771 14.422 1.00 0.00 H new ATOM 454 N ILE A 29 -14.428 15.171 14.721 1.00 0.00 N ATOM 455 CA ILE A 29 -13.813 15.876 15.847 1.00 0.00 C ATOM 456 C ILE A 29 -14.586 17.155 16.147 1.00 0.00 C ATOM 457 O ILE A 29 -15.259 17.712 15.284 1.00 0.00 O ATOM 458 CB ILE A 29 -12.318 16.137 15.561 1.00 0.00 C ATOM 459 CG1 ILE A 29 -11.450 16.729 16.684 1.00 0.00 C ATOM 460 CG2 ILE A 29 -12.140 17.084 14.386 1.00 0.00 C ATOM 461 CD1 ILE A 29 -11.308 15.827 17.896 1.00 0.00 C ATOM 0 H ILE A 29 -14.691 15.794 13.957 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.861 15.255 16.741 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.970 15.118 15.388 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.458 16.945 16.287 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.881 17.679 17.000 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.077 17.248 14.209 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.593 16.648 13.496 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.622 18.036 14.609 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.682 16.316 18.642 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -12.292 15.631 18.321 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.848 14.885 17.597 1.00 0.00 H new ATOM 473 N ILE A 30 -14.428 17.628 17.378 1.00 0.00 N ATOM 474 CA ILE A 30 -14.949 18.883 17.895 1.00 0.00 C ATOM 475 C ILE A 30 -13.745 19.568 18.525 1.00 0.00 C ATOM 476 O ILE A 30 -13.296 19.136 19.580 1.00 0.00 O ATOM 477 CB ILE A 30 -16.137 18.659 18.875 1.00 0.00 C ATOM 478 CG1 ILE A 30 -17.379 18.272 18.043 1.00 0.00 C ATOM 479 CG2 ILE A 30 -16.384 19.925 19.717 1.00 0.00 C ATOM 480 CD1 ILE A 30 -18.649 17.819 18.783 1.00 0.00 C ATOM 0 H ILE A 30 -13.900 17.112 18.082 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.385 19.512 17.118 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.911 17.854 19.575 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -17.644 19.130 17.425 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -17.087 17.470 17.366 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -17.218 19.752 20.397 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.489 20.160 20.293 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -16.621 20.760 19.058 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -19.428 17.584 18.058 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -18.427 16.933 19.378 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -18.993 18.619 19.438 1.00 0.00 H new ATOM 492 N TYR A 31 -13.201 20.591 17.859 1.00 0.00 N ATOM 493 CA TYR A 31 -12.025 21.323 18.316 1.00 0.00 C ATOM 494 C TYR A 31 -12.340 22.803 18.543 1.00 0.00 C ATOM 495 O TYR A 31 -13.506 23.190 18.617 1.00 0.00 O ATOM 496 CB TYR A 31 -10.822 21.036 17.415 1.00 0.00 C ATOM 497 CG TYR A 31 -10.893 21.344 15.928 1.00 0.00 C ATOM 498 CD1 TYR A 31 -10.998 22.665 15.450 1.00 0.00 C ATOM 499 CD2 TYR A 31 -10.707 20.293 15.009 1.00 0.00 C ATOM 500 CE1 TYR A 31 -10.933 22.918 14.069 1.00 0.00 C ATOM 501 CE2 TYR A 31 -10.622 20.543 13.630 1.00 0.00 C ATOM 502 CZ TYR A 31 -10.740 21.866 13.152 1.00 0.00 C ATOM 503 OH TYR A 31 -10.683 22.134 11.819 1.00 0.00 O ATOM 0 H TYR A 31 -13.574 20.936 16.974 1.00 0.00 H new ATOM 0 HA TYR A 31 -11.730 20.960 19.301 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.975 21.589 17.820 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.588 19.976 17.515 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -11.128 23.482 16.144 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.628 19.278 15.371 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.032 23.931 13.707 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -10.467 19.728 12.939 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.836 21.309 11.313 1.00 0.00 H new ATOM 574 N PRO A 37 -9.630 19.218 22.059 1.00 0.00 N ATOM 575 CA PRO A 37 -10.724 18.593 21.314 1.00 0.00 C ATOM 576 C PRO A 37 -11.476 17.398 21.910 1.00 0.00 C ATOM 577 O PRO A 37 -11.159 16.878 22.980 1.00 0.00 O ATOM 578 CB PRO A 37 -10.122 18.139 19.990 1.00 0.00 C ATOM 579 CG PRO A 37 -8.754 18.762 19.919 1.00 0.00 C ATOM 580 CD PRO A 37 -8.635 19.663 21.105 1.00 0.00 C ATOM 0 HA PRO A 37 -11.495 19.363 21.280 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.058 17.052 19.943 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.740 18.458 19.151 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.978 17.997 19.934 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.631 19.322 18.992 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.634 19.610 21.534 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -8.806 20.702 20.822 1.00 0.00 H new ATOM 588 N LEU A 38 -12.465 16.934 21.129 1.00 0.00 N ATOM 589 CA LEU A 38 -13.424 15.919 21.517 1.00 0.00 C ATOM 590 C LEU A 38 -13.867 15.169 20.264 1.00 0.00 C ATOM 591 O LEU A 38 -14.721 15.632 19.511 1.00 0.00 O ATOM 592 CB LEU A 38 -14.608 16.595 22.215 1.00 0.00 C ATOM 593 CG LEU A 38 -15.615 15.558 22.756 1.00 0.00 C ATOM 594 CD1 LEU A 38 -15.427 15.433 24.268 1.00 0.00 C ATOM 595 CD2 LEU A 38 -17.041 15.994 22.428 1.00 0.00 C ATOM 0 H LEU A 38 -12.613 17.275 20.179 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.983 15.205 22.212 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.243 17.212 23.036 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.112 17.262 21.515 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.440 14.590 22.287 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -16.133 14.703 24.663 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -14.409 15.107 24.482 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.604 16.400 24.738 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.745 15.256 22.813 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.241 16.961 22.889 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -17.157 16.076 21.347 1.00 0.00 H new ATOM 607 N ALA A 39 -13.250 14.016 20.022 1.00 0.00 N ATOM 608 CA ALA A 39 -13.615 13.141 18.923 1.00 0.00 C ATOM 609 C ALA A 39 -14.975 12.501 19.220 1.00 0.00 C ATOM 610 O ALA A 39 -15.193 12.063 20.350 1.00 0.00 O ATOM 611 CB ALA A 39 -12.496 12.116 18.771 1.00 0.00 C ATOM 0 H ALA A 39 -12.478 13.664 20.589 1.00 0.00 H new ATOM 0 HA ALA A 39 -13.723 13.680 17.981 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.733 11.437 17.952 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.559 12.630 18.557 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.395 11.548 19.696 1.00 0.00 H new ATOM 617 N ILE A 40 -15.893 12.444 18.239 1.00 0.00 N ATOM 618 CA ILE A 40 -17.228 11.909 18.397 1.00 0.00 C ATOM 619 C ILE A 40 -17.484 10.953 17.219 1.00 0.00 C ATOM 620 O ILE A 40 -17.187 11.279 16.069 1.00 0.00 O ATOM 621 CB ILE A 40 -18.261 13.053 18.504 1.00 0.00 C ATOM 622 CG1 ILE A 40 -18.465 13.950 17.263 1.00 0.00 C ATOM 623 CG2 ILE A 40 -18.009 13.890 19.765 1.00 0.00 C ATOM 624 CD1 ILE A 40 -17.307 14.881 16.919 1.00 0.00 C ATOM 0 H ILE A 40 -15.707 12.782 17.295 1.00 0.00 H new ATOM 0 HA ILE A 40 -17.329 11.346 19.325 1.00 0.00 H new ATOM 0 HB ILE A 40 -19.214 12.528 18.573 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -18.659 13.309 16.403 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -19.359 14.555 17.418 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -18.746 14.691 19.823 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -18.093 13.254 20.646 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -17.008 14.320 19.722 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -17.559 15.462 16.032 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -17.122 15.556 17.755 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -16.411 14.291 16.724 1.00 0.00 H new ATOM 636 N GLU A 41 -17.997 9.758 17.515 1.00 0.00 N ATOM 637 CA GLU A 41 -18.512 8.789 16.559 1.00 0.00 C ATOM 638 C GLU A 41 -19.933 9.191 16.168 1.00 0.00 C ATOM 639 O GLU A 41 -20.783 9.325 17.045 1.00 0.00 O ATOM 640 CB GLU A 41 -18.466 7.381 17.198 1.00 0.00 C ATOM 641 CG GLU A 41 -19.463 6.369 16.586 1.00 0.00 C ATOM 642 CD GLU A 41 -19.116 4.894 16.823 1.00 0.00 C ATOM 643 OE1 GLU A 41 -18.299 4.602 17.722 1.00 0.00 O ATOM 644 OE2 GLU A 41 -19.659 4.057 16.069 1.00 0.00 O ATOM 0 H GLU A 41 -18.066 9.428 18.478 1.00 0.00 H new ATOM 0 HA GLU A 41 -17.904 8.768 15.654 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.456 6.983 17.099 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.669 7.473 18.265 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.454 6.564 16.996 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.523 6.545 15.512 1.00 0.00 H new ATOM 651 N LEU A 42 -20.207 9.356 14.865 1.00 0.00 N ATOM 652 CA LEU A 42 -21.551 9.655 14.380 1.00 0.00 C ATOM 653 C LEU A 42 -21.849 8.899 13.089 1.00 0.00 C ATOM 654 O LEU A 42 -20.948 8.386 12.426 1.00 0.00 O ATOM 655 CB LEU A 42 -21.773 11.174 14.226 1.00 0.00 C ATOM 656 CG LEU A 42 -21.141 11.832 12.986 1.00 0.00 C ATOM 657 CD1 LEU A 42 -21.798 13.176 12.703 1.00 0.00 C ATOM 658 CD2 LEU A 42 -19.647 12.077 13.158 1.00 0.00 C ATOM 0 H LEU A 42 -19.505 9.285 14.128 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.262 9.308 15.130 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -22.846 11.363 14.204 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -21.380 11.669 15.114 1.00 0.00 H new ATOM 0 HG LEU A 42 -21.297 11.138 12.160 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -21.339 13.627 11.823 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -22.863 13.030 12.522 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -21.663 13.835 13.561 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -19.248 12.542 12.257 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -19.482 12.736 14.010 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -19.140 11.128 13.331 1.00 0.00 H new ATOM 670 N ASP A 43 -23.136 8.857 12.732 1.00 0.00 N ATOM 671 CA ASP A 43 -23.605 8.163 11.547 1.00 0.00 C ATOM 672 C ASP A 43 -23.297 8.992 10.308 1.00 0.00 C ATOM 673 O ASP A 43 -23.461 10.216 10.313 1.00 0.00 O ATOM 674 CB ASP A 43 -25.099 7.826 11.641 1.00 0.00 C ATOM 675 CG ASP A 43 -25.373 6.517 10.909 1.00 0.00 C ATOM 676 OD1 ASP A 43 -25.497 6.583 9.666 1.00 0.00 O ATOM 677 OD2 ASP A 43 -25.413 5.482 11.611 1.00 0.00 O ATOM 0 H ASP A 43 -23.879 9.308 13.265 1.00 0.00 H new ATOM 0 HA ASP A 43 -23.075 7.213 11.471 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -25.398 7.740 12.686 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -25.692 8.630 11.205 1.00 0.00 H new ATOM 682 N HIS A 44 -22.853 8.305 9.253 1.00 0.00 N ATOM 683 CA HIS A 44 -22.493 8.928 7.998 1.00 0.00 C ATOM 684 C HIS A 44 -23.739 9.374 7.252 1.00 0.00 C ATOM 685 O HIS A 44 -23.770 10.509 6.794 1.00 0.00 O ATOM 686 CB HIS A 44 -21.696 7.929 7.156 1.00 0.00 C ATOM 687 CG HIS A 44 -21.130 8.482 5.872 1.00 0.00 C ATOM 688 ND1 HIS A 44 -21.656 9.510 5.122 1.00 0.00 N ATOM 689 CD2 HIS A 44 -20.041 7.997 5.203 1.00 0.00 C ATOM 690 CE1 HIS A 44 -20.906 9.634 4.021 1.00 0.00 C ATOM 691 NE2 HIS A 44 -19.910 8.735 4.026 1.00 0.00 N ATOM 0 H HIS A 44 -22.736 7.292 9.256 1.00 0.00 H new ATOM 0 HA HIS A 44 -21.881 9.809 8.192 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -20.875 7.542 7.760 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -22.341 7.084 6.916 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -22.470 10.075 5.362 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -19.400 7.190 5.526 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -21.078 10.357 3.237 1.00 0.00 H new ATOM 699 N ASP A 45 -24.737 8.501 7.076 1.00 0.00 N ATOM 700 CA ASP A 45 -25.874 8.801 6.209 1.00 0.00 C ATOM 701 C ASP A 45 -26.736 9.930 6.789 1.00 0.00 C ATOM 702 O ASP A 45 -27.356 10.699 6.051 1.00 0.00 O ATOM 703 CB ASP A 45 -26.687 7.524 6.015 1.00 0.00 C ATOM 704 CG ASP A 45 -27.403 7.539 4.664 1.00 0.00 C ATOM 705 OD1 ASP A 45 -26.682 7.436 3.643 1.00 0.00 O ATOM 706 OD2 ASP A 45 -28.647 7.652 4.670 1.00 0.00 O ATOM 0 H ASP A 45 -24.778 7.585 7.522 1.00 0.00 H new ATOM 0 HA ASP A 45 -25.512 9.152 5.242 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -26.030 6.656 6.074 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -27.417 7.426 6.818 1.00 0.00 H new ATOM 711 N LYS A 46 -26.684 10.067 8.120 1.00 0.00 N ATOM 712 CA LYS A 46 -27.173 11.206 8.875 1.00 0.00 C ATOM 713 C LYS A 46 -26.403 12.447 8.435 1.00 0.00 C ATOM 714 O LYS A 46 -26.940 13.210 7.639 1.00 0.00 O ATOM 715 CB LYS A 46 -26.990 10.899 10.359 1.00 0.00 C ATOM 716 CG LYS A 46 -27.279 12.083 11.276 1.00 0.00 C ATOM 717 CD LYS A 46 -26.982 11.743 12.727 1.00 0.00 C ATOM 718 CE LYS A 46 -25.596 11.159 13.003 1.00 0.00 C ATOM 719 NZ LYS A 46 -25.415 10.935 14.445 1.00 0.00 N ATOM 0 H LYS A 46 -26.279 9.348 8.719 1.00 0.00 H new ATOM 0 HA LYS A 46 -28.231 11.396 8.695 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -27.645 10.072 10.632 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -25.967 10.563 10.527 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -26.676 12.938 10.970 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -28.324 12.377 11.176 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -27.100 12.647 13.324 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -27.731 11.032 13.075 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -25.476 10.219 12.464 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -24.828 11.838 12.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -24.990 9.998 14.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -24.788 11.668 14.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -26.338 10.980 14.922 1.00 0.00 H new ATOM 733 N VAL A 47 -25.172 12.658 8.939 1.00 0.00 N ATOM 734 CA VAL A 47 -24.396 13.858 8.659 1.00 0.00 C ATOM 735 C VAL A 47 -24.263 14.201 7.170 1.00 0.00 C ATOM 736 O VAL A 47 -24.088 15.360 6.817 1.00 0.00 O ATOM 737 CB VAL A 47 -23.026 13.756 9.313 1.00 0.00 C ATOM 738 CG1 VAL A 47 -22.041 12.977 8.470 1.00 0.00 C ATOM 739 CG2 VAL A 47 -22.478 15.150 9.589 1.00 0.00 C ATOM 0 H VAL A 47 -24.697 11.995 9.551 1.00 0.00 H new ATOM 0 HA VAL A 47 -24.959 14.685 9.091 1.00 0.00 H new ATOM 0 HB VAL A 47 -23.155 13.213 10.249 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -21.079 12.933 8.981 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -22.416 11.965 8.315 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -21.917 13.470 7.506 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -21.497 15.069 10.057 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -22.388 15.698 8.651 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -23.156 15.682 10.257 1.00 0.00 H new ATOM 749 N MET A 48 -24.333 13.191 6.305 1.00 0.00 N ATOM 750 CA MET A 48 -24.397 13.335 4.866 1.00 0.00 C ATOM 751 C MET A 48 -25.516 14.313 4.522 1.00 0.00 C ATOM 752 O MET A 48 -25.221 15.367 3.985 1.00 0.00 O ATOM 753 CB MET A 48 -24.562 11.981 4.168 1.00 0.00 C ATOM 754 CG MET A 48 -24.711 12.097 2.647 1.00 0.00 C ATOM 755 SD MET A 48 -23.211 11.760 1.680 1.00 0.00 S ATOM 756 CE MET A 48 -22.286 13.299 1.911 1.00 0.00 C ATOM 0 H MET A 48 -24.347 12.217 6.606 1.00 0.00 H new ATOM 0 HA MET A 48 -23.455 13.739 4.496 1.00 0.00 H new ATOM 0 HB2 MET A 48 -23.699 11.356 4.395 1.00 0.00 H new ATOM 0 HB3 MET A 48 -25.438 11.475 4.574 1.00 0.00 H new ATOM 0 HG2 MET A 48 -25.492 11.409 2.323 1.00 0.00 H new ATOM 0 HG3 MET A 48 -25.055 13.104 2.410 1.00 0.00 H new ATOM 0 HE1 MET A 48 -21.310 13.212 1.433 1.00 0.00 H new ATOM 0 HE2 MET A 48 -22.837 14.126 1.463 1.00 0.00 H new ATOM 0 HE3 MET A 48 -22.153 13.487 2.976 1.00 0.00 H new ATOM 766 N ASN A 49 -26.769 14.017 4.880 1.00 0.00 N ATOM 767 CA ASN A 49 -27.895 14.936 4.714 1.00 0.00 C ATOM 768 C ASN A 49 -27.700 16.283 5.414 1.00 0.00 C ATOM 769 O ASN A 49 -28.301 17.270 4.991 1.00 0.00 O ATOM 770 CB ASN A 49 -29.137 14.237 5.275 1.00 0.00 C ATOM 771 CG ASN A 49 -30.418 15.069 5.268 1.00 0.00 C ATOM 772 OD1 ASN A 49 -30.735 15.766 4.308 1.00 0.00 O ATOM 773 ND2 ASN A 49 -31.180 14.986 6.356 1.00 0.00 N ATOM 0 H ASN A 49 -27.031 13.124 5.297 1.00 0.00 H new ATOM 0 HA ASN A 49 -27.993 15.167 3.653 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -29.312 13.328 4.700 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -28.929 13.931 6.300 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -32.054 15.510 6.408 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -30.890 14.398 7.138 1.00 0.00 H new ATOM 780 N MET A 50 -26.880 16.352 6.467 1.00 0.00 N ATOM 781 CA MET A 50 -26.708 17.543 7.250 1.00 0.00 C ATOM 782 C MET A 50 -25.741 18.486 6.515 1.00 0.00 C ATOM 783 O MET A 50 -26.176 19.511 6.008 1.00 0.00 O ATOM 784 CB MET A 50 -26.224 17.103 8.636 1.00 0.00 C ATOM 785 CG MET A 50 -27.030 16.042 9.364 1.00 0.00 C ATOM 786 SD MET A 50 -28.632 16.523 10.045 1.00 0.00 S ATOM 787 CE MET A 50 -28.420 15.739 11.666 1.00 0.00 C ATOM 0 H MET A 50 -26.318 15.564 6.790 1.00 0.00 H new ATOM 0 HA MET A 50 -27.631 18.107 7.383 1.00 0.00 H new ATOM 0 HB2 MET A 50 -25.203 16.736 8.533 1.00 0.00 H new ATOM 0 HB3 MET A 50 -26.182 17.987 9.272 1.00 0.00 H new ATOM 0 HG2 MET A 50 -27.194 15.214 8.674 1.00 0.00 H new ATOM 0 HG3 MET A 50 -26.419 15.660 10.182 1.00 0.00 H new ATOM 0 HE1 MET A 50 -29.396 15.481 12.076 1.00 0.00 H new ATOM 0 HE2 MET A 50 -27.822 14.834 11.557 1.00 0.00 H new ATOM 0 HE3 MET A 50 -27.914 16.430 12.341 1.00 0.00 H new ATOM 797 N GLN A 51 -24.457 18.123 6.383 1.00 0.00 N ATOM 798 CA GLN A 51 -23.407 18.827 5.624 1.00 0.00 C ATOM 799 C GLN A 51 -23.792 19.067 4.162 1.00 0.00 C ATOM 800 O GLN A 51 -23.195 19.921 3.507 1.00 0.00 O ATOM 801 CB GLN A 51 -22.086 18.027 5.798 1.00 0.00 C ATOM 802 CG GLN A 51 -21.139 17.820 4.606 1.00 0.00 C ATOM 803 CD GLN A 51 -21.735 17.054 3.435 1.00 0.00 C ATOM 804 OE1 GLN A 51 -21.485 17.387 2.282 1.00 0.00 O ATOM 805 NE2 GLN A 51 -22.529 16.031 3.711 1.00 0.00 N ATOM 0 H GLN A 51 -24.100 17.279 6.830 1.00 0.00 H new ATOM 0 HA GLN A 51 -23.270 19.833 6.020 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -21.512 18.519 6.583 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -22.355 17.039 6.171 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -20.808 18.796 4.251 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -20.253 17.290 4.954 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -22.717 15.779 4.681 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -22.952 15.495 2.953 1.00 0.00 H new ATOM 814 N ALA A 52 -24.795 18.342 3.659 1.00 0.00 N ATOM 815 CA ALA A 52 -25.337 18.474 2.338 1.00 0.00 C ATOM 816 C ALA A 52 -26.100 19.784 2.142 1.00 0.00 C ATOM 817 O ALA A 52 -26.472 20.051 0.998 1.00 0.00 O ATOM 818 CB ALA A 52 -26.203 17.256 2.014 1.00 0.00 C ATOM 0 H ALA A 52 -25.262 17.616 4.203 1.00 0.00 H new ATOM 0 HA ALA A 52 -24.505 18.512 1.635 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -26.614 17.358 1.010 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -25.595 16.353 2.067 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -27.018 17.187 2.734 1.00 0.00 H new ATOM 824 N LYS A 53 -26.301 20.621 3.184 1.00 0.00 N ATOM 825 CA LYS A 53 -26.733 21.989 2.931 1.00 0.00 C ATOM 826 C LYS A 53 -25.789 22.974 3.600 1.00 0.00 C ATOM 827 O LYS A 53 -25.100 22.635 4.562 1.00 0.00 O ATOM 828 CB LYS A 53 -28.199 22.178 3.324 1.00 0.00 C ATOM 829 CG LYS A 53 -28.477 22.077 4.830 1.00 0.00 C ATOM 830 CD LYS A 53 -28.851 20.666 5.271 1.00 0.00 C ATOM 831 CE LYS A 53 -30.292 20.304 4.896 1.00 0.00 C ATOM 832 NZ LYS A 53 -30.611 18.911 5.263 1.00 0.00 N ATOM 0 H LYS A 53 -26.174 20.376 4.166 1.00 0.00 H new ATOM 0 HA LYS A 53 -26.683 22.194 1.862 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -28.533 23.154 2.971 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -28.799 21.430 2.806 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -27.594 22.402 5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -29.285 22.760 5.092 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -28.168 19.951 4.813 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -28.726 20.580 6.350 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -30.982 20.981 5.400 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -30.436 20.441 3.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -31.356 18.548 4.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -29.759 18.323 5.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -30.944 18.879 6.248 1.00 0.00 H new ATOM 846 N ALA A 54 -25.774 24.208 3.090 1.00 0.00 N ATOM 847 CA ALA A 54 -24.865 25.225 3.589 1.00 0.00 C ATOM 848 C ALA A 54 -25.250 25.718 4.980 1.00 0.00 C ATOM 849 O ALA A 54 -24.383 26.193 5.709 1.00 0.00 O ATOM 850 CB ALA A 54 -24.784 26.390 2.599 1.00 0.00 C ATOM 0 H ALA A 54 -26.383 24.520 2.333 1.00 0.00 H new ATOM 0 HA ALA A 54 -23.880 24.767 3.682 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -24.100 27.147 2.983 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -24.420 26.026 1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -25.774 26.828 2.470 1.00 0.00 H new ATOM 856 N GLU A 55 -26.513 25.526 5.377 1.00 0.00 N ATOM 857 CA GLU A 55 -27.015 25.770 6.717 1.00 0.00 C ATOM 858 C GLU A 55 -26.237 24.971 7.773 1.00 0.00 C ATOM 859 O GLU A 55 -26.229 25.340 8.941 1.00 0.00 O ATOM 860 CB GLU A 55 -28.498 25.374 6.805 1.00 0.00 C ATOM 861 CG GLU A 55 -29.399 25.881 5.666 1.00 0.00 C ATOM 862 CD GLU A 55 -30.861 25.460 5.860 1.00 0.00 C ATOM 863 OE1 GLU A 55 -31.091 24.257 6.119 1.00 0.00 O ATOM 864 OE2 GLU A 55 -31.735 26.343 5.718 1.00 0.00 O ATOM 0 H GLU A 55 -27.234 25.183 4.743 1.00 0.00 H new ATOM 0 HA GLU A 55 -26.889 26.834 6.918 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -28.562 24.286 6.836 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -28.897 25.744 7.750 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -29.339 26.968 5.612 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -29.033 25.494 4.715 1.00 0.00 H new ATOM 871 N PHE A 56 -25.584 23.870 7.387 1.00 0.00 N ATOM 872 CA PHE A 56 -24.866 23.024 8.321 1.00 0.00 C ATOM 873 C PHE A 56 -23.545 23.617 8.756 1.00 0.00 C ATOM 874 O PHE A 56 -23.178 23.536 9.927 1.00 0.00 O ATOM 875 CB PHE A 56 -24.583 21.696 7.638 1.00 0.00 C ATOM 876 CG PHE A 56 -23.712 20.694 8.373 1.00 0.00 C ATOM 877 CD1 PHE A 56 -22.311 20.663 8.219 1.00 0.00 C ATOM 878 CD2 PHE A 56 -24.341 19.686 9.109 1.00 0.00 C ATOM 879 CE1 PHE A 56 -21.568 19.598 8.764 1.00 0.00 C ATOM 880 CE2 PHE A 56 -23.606 18.605 9.620 1.00 0.00 C ATOM 881 CZ PHE A 56 -22.219 18.555 9.441 1.00 0.00 C ATOM 0 H PHE A 56 -25.544 23.549 6.420 1.00 0.00 H new ATOM 0 HA PHE A 56 -25.488 22.912 9.209 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -25.539 21.217 7.427 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -24.113 21.907 6.677 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -21.808 21.455 7.684 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -25.405 19.740 9.287 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -20.493 19.584 8.661 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -24.111 17.812 10.151 1.00 0.00 H new ATOM 0 HZ PHE A 56 -21.652 17.718 9.822 1.00 0.00 H new ATOM 891 N TYR A 57 -22.799 24.130 7.781 1.00 0.00 N ATOM 892 CA TYR A 57 -21.506 24.712 8.076 1.00 0.00 C ATOM 893 C TYR A 57 -21.626 26.186 8.465 1.00 0.00 C ATOM 894 O TYR A 57 -20.808 26.685 9.236 1.00 0.00 O ATOM 895 CB TYR A 57 -20.541 24.502 6.898 1.00 0.00 C ATOM 896 CG TYR A 57 -20.788 25.297 5.624 1.00 0.00 C ATOM 897 CD1 TYR A 57 -20.435 26.661 5.560 1.00 0.00 C ATOM 898 CD2 TYR A 57 -21.277 24.651 4.472 1.00 0.00 C ATOM 899 CE1 TYR A 57 -20.603 27.387 4.368 1.00 0.00 C ATOM 900 CE2 TYR A 57 -21.422 25.365 3.268 1.00 0.00 C ATOM 901 CZ TYR A 57 -21.098 26.739 3.214 1.00 0.00 C ATOM 902 OH TYR A 57 -21.257 27.428 2.048 1.00 0.00 O ATOM 0 H TYR A 57 -23.067 24.152 6.797 1.00 0.00 H new ATOM 0 HA TYR A 57 -21.090 24.197 8.942 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -19.534 24.732 7.246 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -20.555 23.443 6.639 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -20.032 27.152 6.434 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -21.541 23.605 4.513 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -20.354 28.437 4.334 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -21.782 24.861 2.383 1.00 0.00 H new ATOM 0 HH TYR A 57 -21.606 26.826 1.358 1.00 0.00 H new ATOM 912 N SER A 58 -22.644 26.872 7.931 1.00 0.00 N ATOM 913 CA SER A 58 -22.867 28.294 8.150 1.00 0.00 C ATOM 914 C SER A 58 -23.683 28.541 9.419 1.00 0.00 C ATOM 915 O SER A 58 -23.658 29.665 9.923 1.00 0.00 O ATOM 916 CB SER A 58 -23.578 28.896 6.931 1.00 0.00 C ATOM 917 OG SER A 58 -23.592 30.306 7.008 1.00 0.00 O ATOM 0 H SER A 58 -23.343 26.442 7.326 1.00 0.00 H new ATOM 0 HA SER A 58 -21.900 28.779 8.282 1.00 0.00 H new ATOM 0 HB2 SER A 58 -23.073 28.582 6.017 1.00 0.00 H new ATOM 0 HB3 SER A 58 -24.599 28.520 6.877 1.00 0.00 H new ATOM 0 HG SER A 58 -24.048 30.672 6.222 1.00 0.00 H new ATOM 923 N GLU A 59 -24.394 27.528 9.939 1.00 0.00 N ATOM 924 CA GLU A 59 -25.185 27.642 11.151 1.00 0.00 C ATOM 925 C GLU A 59 -24.853 26.443 12.035 1.00 0.00 C ATOM 926 O GLU A 59 -24.580 25.349 11.550 1.00 0.00 O ATOM 927 CB GLU A 59 -26.699 27.742 10.869 1.00 0.00 C ATOM 928 CG GLU A 59 -27.148 28.295 9.498 1.00 0.00 C ATOM 929 CD GLU A 59 -28.332 29.251 9.633 1.00 0.00 C ATOM 930 OE1 GLU A 59 -29.448 28.744 9.885 1.00 0.00 O ATOM 931 OE2 GLU A 59 -28.103 30.472 9.492 1.00 0.00 O ATOM 0 H GLU A 59 -24.429 26.600 9.516 1.00 0.00 H new ATOM 0 HA GLU A 59 -24.931 28.571 11.661 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -27.126 26.746 10.983 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -27.142 28.369 11.643 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -26.314 28.813 9.024 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -27.422 27.467 8.844 1.00 0.00 H new ATOM 938 N VAL A 60 -24.855 26.663 13.347 1.00 0.00 N ATOM 939 CA VAL A 60 -24.408 25.690 14.330 1.00 0.00 C ATOM 940 C VAL A 60 -25.287 24.438 14.353 1.00 0.00 C ATOM 941 O VAL A 60 -26.483 24.487 14.066 1.00 0.00 O ATOM 942 CB VAL A 60 -24.331 26.414 15.691 1.00 0.00 C ATOM 943 CG1 VAL A 60 -25.686 26.948 16.190 1.00 0.00 C ATOM 944 CG2 VAL A 60 -23.744 25.535 16.779 1.00 0.00 C ATOM 0 H VAL A 60 -25.174 27.539 13.760 1.00 0.00 H new ATOM 0 HA VAL A 60 -23.420 25.310 14.068 1.00 0.00 H new ATOM 0 HB VAL A 60 -23.674 27.262 15.498 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -25.550 27.444 17.151 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -26.085 27.660 15.468 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -26.384 26.119 16.305 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -23.711 26.090 17.717 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -24.364 24.648 16.904 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -22.734 25.235 16.499 1.00 0.00 H new ATOM 954 N LEU A 61 -24.672 23.318 14.748 1.00 0.00 N ATOM 955 CA LEU A 61 -25.285 22.015 14.885 1.00 0.00 C ATOM 956 C LEU A 61 -25.207 21.619 16.360 1.00 0.00 C ATOM 957 O LEU A 61 -24.286 22.055 17.051 1.00 0.00 O ATOM 958 CB LEU A 61 -24.459 21.021 14.073 1.00 0.00 C ATOM 959 CG LEU A 61 -24.136 21.392 12.604 1.00 0.00 C ATOM 960 CD1 LEU A 61 -23.165 20.351 12.061 1.00 0.00 C ATOM 961 CD2 LEU A 61 -25.299 21.514 11.606 1.00 0.00 C ATOM 0 H LEU A 61 -23.681 23.308 14.991 1.00 0.00 H new ATOM 0 HA LEU A 61 -26.319 22.025 14.541 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -23.515 20.862 14.595 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -24.987 20.067 14.071 1.00 0.00 H new ATOM 0 HG LEU A 61 -23.742 22.406 12.673 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -22.919 20.588 11.026 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -22.254 20.355 12.660 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -23.626 19.364 12.108 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -24.909 21.779 10.623 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -25.826 20.562 11.543 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -25.988 22.288 11.943 1.00 0.00 H new ATOM 973 N THR A 62 -26.105 20.746 16.836 1.00 0.00 N ATOM 974 CA THR A 62 -26.063 20.269 18.211 1.00 0.00 C ATOM 975 C THR A 62 -25.647 18.797 18.180 1.00 0.00 C ATOM 976 O THR A 62 -26.505 17.929 18.081 1.00 0.00 O ATOM 977 CB THR A 62 -27.415 20.501 18.909 1.00 0.00 C ATOM 978 OG1 THR A 62 -27.909 21.808 18.686 1.00 0.00 O ATOM 979 CG2 THR A 62 -27.306 20.252 20.415 1.00 0.00 C ATOM 0 H THR A 62 -26.869 20.359 16.282 1.00 0.00 H new ATOM 0 HA THR A 62 -25.333 20.825 18.799 1.00 0.00 H new ATOM 0 HB THR A 62 -28.116 19.789 18.474 1.00 0.00 H new ATOM 0 HG1 THR A 62 -28.769 21.915 19.144 1.00 0.00 H new ATOM 0 HG21 THR A 62 -28.275 20.423 20.883 1.00 0.00 H new ATOM 0 HG22 THR A 62 -26.994 19.223 20.592 1.00 0.00 H new ATOM 0 HG23 THR A 62 -26.571 20.933 20.844 1.00 0.00 H new ATOM 987 N ILE A 63 -24.349 18.477 18.222 1.00 0.00 N ATOM 988 CA ILE A 63 -23.946 17.091 18.394 1.00 0.00 C ATOM 989 C ILE A 63 -24.377 16.646 19.796 1.00 0.00 C ATOM 990 O ILE A 63 -23.828 17.105 20.791 1.00 0.00 O ATOM 991 CB ILE A 63 -22.438 16.864 18.134 1.00 0.00 C ATOM 992 CG1 ILE A 63 -22.056 16.726 16.655 1.00 0.00 C ATOM 993 CG2 ILE A 63 -22.051 15.467 18.590 1.00 0.00 C ATOM 994 CD1 ILE A 63 -21.971 17.968 15.858 1.00 0.00 C ATOM 0 H ILE A 63 -23.582 19.145 18.141 1.00 0.00 H new ATOM 0 HA ILE A 63 -24.443 16.475 17.644 1.00 0.00 H new ATOM 0 HB ILE A 63 -21.972 17.718 18.625 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -21.090 16.224 16.602 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -22.783 16.069 16.179 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -20.989 15.306 18.407 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -22.256 15.362 19.655 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -22.631 14.729 18.035 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -21.693 17.724 14.833 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -22.939 18.470 15.862 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -21.219 18.627 16.291 1.00 0.00 H new ATOM 1006 N VAL A 64 -25.335 15.721 19.862 1.00 0.00 N ATOM 1007 CA VAL A 64 -25.833 15.132 21.092 1.00 0.00 C ATOM 1008 C VAL A 64 -25.034 13.845 21.335 1.00 0.00 C ATOM 1009 O VAL A 64 -25.444 12.773 20.897 1.00 0.00 O ATOM 1010 CB VAL A 64 -27.361 14.956 21.005 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -27.967 14.279 22.233 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -28.043 16.318 20.864 1.00 0.00 C ATOM 0 H VAL A 64 -25.797 15.353 19.030 1.00 0.00 H new ATOM 0 HA VAL A 64 -25.683 15.771 21.962 1.00 0.00 H new ATOM 0 HB VAL A 64 -27.530 14.321 20.136 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -29.045 14.188 22.103 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -27.531 13.287 22.354 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -27.758 14.878 23.119 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -29.123 16.180 20.803 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -27.804 16.936 21.730 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -27.689 16.810 19.958 1.00 0.00 H new ATOM 1022 N VAL A 65 -23.863 13.969 21.976 1.00 0.00 N ATOM 1023 CA VAL A 65 -22.963 12.874 22.310 1.00 0.00 C ATOM 1024 C VAL A 65 -23.590 12.047 23.435 1.00 0.00 C ATOM 1025 O VAL A 65 -23.510 12.413 24.606 1.00 0.00 O ATOM 1026 CB VAL A 65 -21.527 13.361 22.618 1.00 0.00 C ATOM 1027 CG1 VAL A 65 -20.950 14.207 21.491 1.00 0.00 C ATOM 1028 CG2 VAL A 65 -21.359 14.233 23.857 1.00 0.00 C ATOM 0 H VAL A 65 -23.510 14.875 22.285 1.00 0.00 H new ATOM 0 HA VAL A 65 -22.840 12.226 21.442 1.00 0.00 H new ATOM 0 HB VAL A 65 -21.014 12.411 22.766 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -19.941 14.525 21.754 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -20.917 13.618 20.574 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -21.578 15.084 21.337 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -20.311 14.511 23.967 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -21.964 15.134 23.753 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -21.682 13.679 24.738 1.00 0.00 H new ATOM 1038 N ASP A 66 -24.261 10.947 23.073 1.00 0.00 N ATOM 1039 CA ASP A 66 -24.896 10.018 24.010 1.00 0.00 C ATOM 1040 C ASP A 66 -25.900 10.719 24.953 1.00 0.00 C ATOM 1041 O ASP A 66 -26.155 10.256 26.063 1.00 0.00 O ATOM 1042 CB ASP A 66 -23.787 9.217 24.724 1.00 0.00 C ATOM 1043 CG ASP A 66 -24.313 8.012 25.509 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -25.133 7.262 24.934 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -23.858 7.841 26.662 1.00 0.00 O ATOM 0 H ASP A 66 -24.379 10.674 22.097 1.00 0.00 H new ATOM 0 HA ASP A 66 -25.523 9.308 23.470 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -23.065 8.871 23.984 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -23.253 9.879 25.405 1.00 0.00 H new ATOM 1050 N GLY A 67 -26.461 11.858 24.513 1.00 0.00 N ATOM 1051 CA GLY A 67 -27.429 12.659 25.262 1.00 0.00 C ATOM 1052 C GLY A 67 -26.894 14.013 25.748 1.00 0.00 C ATOM 1053 O GLY A 67 -27.672 14.787 26.303 1.00 0.00 O ATOM 0 H GLY A 67 -26.243 12.254 23.598 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -28.302 12.832 24.633 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -27.766 12.085 26.125 1.00 0.00 H new ATOM 1057 N LYS A 68 -25.603 14.320 25.547 1.00 0.00 N ATOM 1058 CA LYS A 68 -24.986 15.584 25.958 1.00 0.00 C ATOM 1059 C LYS A 68 -24.882 16.482 24.744 1.00 0.00 C ATOM 1060 O LYS A 68 -24.337 16.073 23.730 1.00 0.00 O ATOM 1061 CB LYS A 68 -23.594 15.328 26.534 1.00 0.00 C ATOM 1062 CG LYS A 68 -23.698 14.731 27.936 1.00 0.00 C ATOM 1063 CD LYS A 68 -22.509 13.828 28.293 1.00 0.00 C ATOM 1064 CE LYS A 68 -21.182 14.593 28.250 1.00 0.00 C ATOM 1065 NZ LYS A 68 -20.039 13.718 28.574 1.00 0.00 N ATOM 0 H LYS A 68 -24.951 13.685 25.087 1.00 0.00 H new ATOM 0 HA LYS A 68 -25.595 16.060 26.727 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -23.044 14.649 25.883 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -23.031 16.261 26.570 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -23.765 15.539 28.665 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -24.620 14.155 28.012 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -22.656 13.410 29.289 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -22.468 12.989 27.598 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -21.042 15.023 27.258 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -21.217 15.423 28.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -19.158 14.269 28.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -20.161 13.327 29.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -19.991 12.940 27.885 1.00 0.00 H new ATOM 1079 N GLU A 69 -25.407 17.697 24.844 1.00 0.00 N ATOM 1080 CA GLU A 69 -25.776 18.494 23.681 1.00 0.00 C ATOM 1081 C GLU A 69 -24.726 19.579 23.418 1.00 0.00 C ATOM 1082 O GLU A 69 -24.605 20.516 24.207 1.00 0.00 O ATOM 1083 CB GLU A 69 -27.192 19.048 23.896 1.00 0.00 C ATOM 1084 CG GLU A 69 -28.165 17.965 24.393 1.00 0.00 C ATOM 1085 CD GLU A 69 -29.618 18.395 24.195 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -30.140 18.143 23.085 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -30.177 18.988 25.143 1.00 0.00 O ATOM 0 H GLU A 69 -25.589 18.158 25.735 1.00 0.00 H new ATOM 0 HA GLU A 69 -25.795 17.881 22.780 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -27.157 19.863 24.619 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -27.563 19.467 22.961 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -27.982 17.034 23.856 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -27.983 17.765 25.449 1.00 0.00 H new ATOM 1094 N ILE A 70 -23.931 19.427 22.345 1.00 0.00 N ATOM 1095 CA ILE A 70 -22.733 20.236 22.103 1.00 0.00 C ATOM 1096 C ILE A 70 -22.966 21.085 20.856 1.00 0.00 C ATOM 1097 O ILE A 70 -23.241 20.548 19.786 1.00 0.00 O ATOM 1098 CB ILE A 70 -21.465 19.353 21.961 1.00 0.00 C ATOM 1099 CG1 ILE A 70 -20.897 18.830 23.295 1.00 0.00 C ATOM 1100 CG2 ILE A 70 -20.348 20.145 21.281 1.00 0.00 C ATOM 1101 CD1 ILE A 70 -21.789 17.763 23.907 1.00 0.00 C ATOM 0 H ILE A 70 -24.107 18.733 21.618 1.00 0.00 H new ATOM 0 HA ILE A 70 -22.557 20.887 22.959 1.00 0.00 H new ATOM 0 HB ILE A 70 -21.789 18.494 21.373 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -19.900 18.420 23.130 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -20.789 19.659 23.994 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -19.462 19.517 21.186 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -20.677 20.461 20.291 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -20.107 21.023 21.881 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -21.354 17.420 24.846 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -22.778 18.180 24.096 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -21.875 16.922 23.219 1.00 0.00 H new ATOM 1113 N LYS A 71 -22.794 22.404 20.985 1.00 0.00 N ATOM 1114 CA LYS A 71 -22.934 23.345 19.893 1.00 0.00 C ATOM 1115 C LYS A 71 -21.621 23.495 19.149 1.00 0.00 C ATOM 1116 O LYS A 71 -20.635 23.919 19.752 1.00 0.00 O ATOM 1117 CB LYS A 71 -23.431 24.706 20.424 1.00 0.00 C ATOM 1118 CG LYS A 71 -24.945 24.835 20.641 1.00 0.00 C ATOM 1119 CD LYS A 71 -25.762 24.092 19.571 1.00 0.00 C ATOM 1120 CE LYS A 71 -27.057 24.761 19.137 1.00 0.00 C ATOM 1121 NZ LYS A 71 -28.106 24.645 20.165 1.00 0.00 N ATOM 0 H LYS A 71 -22.549 22.846 21.871 1.00 0.00 H new ATOM 0 HA LYS A 71 -23.674 22.962 19.191 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -22.930 24.908 21.371 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -23.117 25.482 19.726 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -25.202 24.444 21.625 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -25.220 25.890 20.636 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -25.133 23.957 18.691 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -25.999 23.097 19.949 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -26.869 25.814 18.927 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -27.406 24.308 18.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -28.972 25.113 19.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -28.304 23.640 20.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -27.783 25.099 21.043 1.00 0.00 H new ATOM 1135 N VAL A 72 -21.614 23.159 17.847 1.00 0.00 N ATOM 1136 CA VAL A 72 -20.443 23.279 16.976 1.00 0.00 C ATOM 1137 C VAL A 72 -20.791 23.577 15.509 1.00 0.00 C ATOM 1138 O VAL A 72 -21.900 23.292 15.072 1.00 0.00 O ATOM 1139 CB VAL A 72 -19.623 21.999 17.079 1.00 0.00 C ATOM 1140 CG1 VAL A 72 -19.032 21.768 18.447 1.00 0.00 C ATOM 1141 CG2 VAL A 72 -20.404 20.747 16.672 1.00 0.00 C ATOM 0 H VAL A 72 -22.436 22.792 17.368 1.00 0.00 H new ATOM 0 HA VAL A 72 -19.867 24.138 17.321 1.00 0.00 H new ATOM 0 HB VAL A 72 -18.811 22.161 16.370 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -18.462 20.839 18.445 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -18.373 22.597 18.703 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -19.833 21.700 19.183 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -19.763 19.871 16.768 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -21.273 20.634 17.320 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -20.733 20.844 15.637 1.00 0.00 H new ATOM 1151 N LYS A 73 -19.831 24.111 14.736 1.00 0.00 N ATOM 1152 CA LYS A 73 -20.010 24.528 13.336 1.00 0.00 C ATOM 1153 C LYS A 73 -18.917 23.913 12.479 1.00 0.00 C ATOM 1154 O LYS A 73 -17.749 23.985 12.853 1.00 0.00 O ATOM 1155 CB LYS A 73 -19.893 26.049 13.186 1.00 0.00 C ATOM 1156 CG LYS A 73 -20.940 26.834 13.983 1.00 0.00 C ATOM 1157 CD LYS A 73 -20.301 27.901 14.869 1.00 0.00 C ATOM 1158 CE LYS A 73 -19.652 29.026 14.056 1.00 0.00 C ATOM 1159 NZ LYS A 73 -18.929 29.974 14.926 1.00 0.00 N ATOM 0 H LYS A 73 -18.883 24.269 15.077 1.00 0.00 H new ATOM 0 HA LYS A 73 -21.001 24.200 13.024 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -18.899 26.360 13.506 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -19.984 26.308 12.131 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -21.641 27.306 13.295 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -21.516 26.146 14.602 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -21.060 28.324 15.528 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -19.548 27.437 15.506 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -18.962 28.599 13.328 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -20.419 29.559 13.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.502 30.723 14.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -19.593 30.399 15.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.182 29.469 15.444 1.00 0.00 H new ATOM 1173 N ALA A 74 -19.292 23.337 11.337 1.00 0.00 N ATOM 1174 CA ALA A 74 -18.372 22.602 10.480 1.00 0.00 C ATOM 1175 C ALA A 74 -17.311 23.507 9.852 1.00 0.00 C ATOM 1176 O ALA A 74 -17.619 24.633 9.461 1.00 0.00 O ATOM 1177 CB ALA A 74 -19.173 21.873 9.412 1.00 0.00 C ATOM 0 H ALA A 74 -20.248 23.369 10.982 1.00 0.00 H new ATOM 0 HA ALA A 74 -17.830 21.881 11.092 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -18.495 21.319 8.763 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -19.868 21.180 9.887 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -19.732 22.597 8.819 1.00 0.00 H new ATOM 1183 N GLN A 75 -16.082 22.984 9.728 1.00 0.00 N ATOM 1184 CA GLN A 75 -14.906 23.749 9.308 1.00 0.00 C ATOM 1185 C GLN A 75 -14.148 23.049 8.168 1.00 0.00 C ATOM 1186 O GLN A 75 -13.692 23.719 7.243 1.00 0.00 O ATOM 1187 CB GLN A 75 -14.005 23.983 10.538 1.00 0.00 C ATOM 1188 CG GLN A 75 -13.538 25.432 10.725 1.00 0.00 C ATOM 1189 CD GLN A 75 -14.673 26.454 10.811 1.00 0.00 C ATOM 1190 OE1 GLN A 75 -15.617 26.297 11.578 1.00 0.00 O ATOM 1191 NE2 GLN A 75 -14.581 27.529 10.030 1.00 0.00 N ATOM 0 H GLN A 75 -15.878 22.003 9.920 1.00 0.00 H new ATOM 0 HA GLN A 75 -15.225 24.712 8.909 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -14.546 23.672 11.432 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.128 23.341 10.456 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -12.940 25.494 11.634 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.885 25.701 9.895 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.785 27.636 9.401 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -15.306 28.246 10.061 1.00 0.00 H new ATOM 1200 N ASP A 76 -14.051 21.714 8.214 1.00 0.00 N ATOM 1201 CA ASP A 76 -13.423 20.848 7.227 1.00 0.00 C ATOM 1202 C ASP A 76 -14.234 19.556 7.228 1.00 0.00 C ATOM 1203 O ASP A 76 -13.996 18.635 8.010 1.00 0.00 O ATOM 1204 CB ASP A 76 -11.907 20.652 7.487 1.00 0.00 C ATOM 1205 CG ASP A 76 -11.326 19.319 6.978 1.00 0.00 C ATOM 1206 OD1 ASP A 76 -11.540 19.037 5.780 1.00 0.00 O ATOM 1207 OD2 ASP A 76 -10.656 18.606 7.768 1.00 0.00 O ATOM 0 H ASP A 76 -14.436 21.183 8.995 1.00 0.00 H new ATOM 0 HA ASP A 76 -13.440 21.293 6.232 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.364 21.471 7.016 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.725 20.724 8.559 1.00 0.00 H new ATOM 1212 N VAL A 77 -15.251 19.534 6.361 1.00 0.00 N ATOM 1213 CA VAL A 77 -15.834 18.291 5.892 1.00 0.00 C ATOM 1214 C VAL A 77 -14.890 17.811 4.779 1.00 0.00 C ATOM 1215 O VAL A 77 -14.409 18.591 3.955 1.00 0.00 O ATOM 1216 CB VAL A 77 -17.297 18.455 5.414 1.00 0.00 C ATOM 1217 CG1 VAL A 77 -18.269 18.954 6.494 1.00 0.00 C ATOM 1218 CG2 VAL A 77 -17.416 19.430 4.258 1.00 0.00 C ATOM 0 H VAL A 77 -15.684 20.372 5.973 1.00 0.00 H new ATOM 0 HA VAL A 77 -15.914 17.557 6.694 1.00 0.00 H new ATOM 0 HB VAL A 77 -17.572 17.442 5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -19.270 19.040 6.071 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -18.285 18.247 7.324 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -17.943 19.930 6.854 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -18.460 19.512 3.957 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -17.050 20.409 4.568 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -16.823 19.071 3.417 1.00 0.00 H new ATOM 1228 N GLN A 78 -14.655 16.507 4.760 1.00 0.00 N ATOM 1229 CA GLN A 78 -13.797 15.797 3.829 1.00 0.00 C ATOM 1230 C GLN A 78 -14.718 14.862 3.063 1.00 0.00 C ATOM 1231 O GLN A 78 -15.300 13.953 3.653 1.00 0.00 O ATOM 1232 CB GLN A 78 -12.682 15.014 4.550 1.00 0.00 C ATOM 1233 CG GLN A 78 -11.688 15.901 5.321 1.00 0.00 C ATOM 1234 CD GLN A 78 -10.515 15.111 5.918 1.00 0.00 C ATOM 1235 OE1 GLN A 78 -10.130 14.064 5.403 1.00 0.00 O ATOM 1236 NE2 GLN A 78 -9.916 15.602 7.004 1.00 0.00 N ATOM 0 H GLN A 78 -15.087 15.879 5.438 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.279 16.491 3.167 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -13.139 14.310 5.245 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.133 14.425 3.815 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -11.299 16.668 4.651 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -12.216 16.417 6.123 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.248 16.472 7.420 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -9.126 15.107 7.419 1.00 0.00 H new ATOM 1245 N ARG A 79 -14.900 15.119 1.765 1.00 0.00 N ATOM 1246 CA ARG A 79 -15.683 14.257 0.889 1.00 0.00 C ATOM 1247 C ARG A 79 -14.889 12.988 0.562 1.00 0.00 C ATOM 1248 O ARG A 79 -13.669 12.945 0.723 1.00 0.00 O ATOM 1249 CB ARG A 79 -16.052 15.022 -0.394 1.00 0.00 C ATOM 1250 CG ARG A 79 -17.019 16.194 -0.152 1.00 0.00 C ATOM 1251 CD ARG A 79 -18.430 15.712 0.221 1.00 0.00 C ATOM 1252 NE ARG A 79 -19.375 16.828 0.386 1.00 0.00 N ATOM 1253 CZ ARG A 79 -19.991 17.506 -0.599 1.00 0.00 C ATOM 1254 NH1 ARG A 79 -19.701 17.289 -1.887 1.00 0.00 N ATOM 1255 NH2 ARG A 79 -20.920 18.412 -0.283 1.00 0.00 N ATOM 0 H ARG A 79 -14.506 15.934 1.295 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.604 13.963 1.393 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.141 15.402 -0.856 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -16.504 14.329 -1.104 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.629 16.826 0.646 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -17.072 16.811 -1.049 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -18.798 15.038 -0.553 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -18.383 15.139 1.147 1.00 0.00 H new ATOM 0 HE ARG A 79 -19.584 17.116 1.342 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -18.998 16.595 -2.142 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -20.183 17.817 -2.614 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -21.154 18.582 0.695 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -21.395 18.934 -1.020 1.00 0.00 H new ATOM 1269 N HIS A 80 -15.587 11.962 0.064 1.00 0.00 N ATOM 1270 CA HIS A 80 -14.962 10.787 -0.525 1.00 0.00 C ATOM 1271 C HIS A 80 -14.214 11.163 -1.816 1.00 0.00 C ATOM 1272 O HIS A 80 -14.523 12.185 -2.433 1.00 0.00 O ATOM 1273 CB HIS A 80 -16.025 9.719 -0.797 1.00 0.00 C ATOM 1274 CG HIS A 80 -15.896 8.472 0.043 1.00 0.00 C ATOM 1275 ND1 HIS A 80 -16.020 8.360 1.410 1.00 0.00 N ATOM 1276 CD2 HIS A 80 -15.731 7.210 -0.453 1.00 0.00 C ATOM 1277 CE1 HIS A 80 -15.929 7.054 1.719 1.00 0.00 C ATOM 1278 NE2 HIS A 80 -15.759 6.311 0.613 1.00 0.00 N ATOM 0 H HIS A 80 -16.606 11.929 0.061 1.00 0.00 H new ATOM 0 HA HIS A 80 -14.232 10.381 0.176 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -17.010 10.155 -0.627 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -15.978 9.438 -1.849 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -15.601 6.952 -1.494 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -15.985 6.656 2.722 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -15.669 5.296 0.563 1.00 0.00 H new ATOM 1286 N PRO A 81 -13.253 10.329 -2.251 1.00 0.00 N ATOM 1287 CA PRO A 81 -12.355 10.642 -3.352 1.00 0.00 C ATOM 1288 C PRO A 81 -12.975 10.412 -4.737 1.00 0.00 C ATOM 1289 O PRO A 81 -12.357 10.811 -5.724 1.00 0.00 O ATOM 1290 CB PRO A 81 -11.137 9.741 -3.121 1.00 0.00 C ATOM 1291 CG PRO A 81 -11.744 8.494 -2.482 1.00 0.00 C ATOM 1292 CD PRO A 81 -12.887 9.061 -1.642 1.00 0.00 C ATOM 0 HA PRO A 81 -12.103 11.702 -3.358 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.626 9.507 -4.055 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.405 10.213 -2.466 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -12.105 7.791 -3.233 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.018 7.961 -1.868 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.736 8.377 -1.629 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.575 9.203 -0.607 1.00 0.00 H new ATOM 1300 N TYR A 82 -14.164 9.787 -4.837 1.00 0.00 N ATOM 1301 CA TYR A 82 -14.809 9.555 -6.126 1.00 0.00 C ATOM 1302 C TYR A 82 -16.336 9.585 -6.024 1.00 0.00 C ATOM 1303 O TYR A 82 -16.998 10.344 -6.729 1.00 0.00 O ATOM 1304 CB TYR A 82 -14.302 8.231 -6.719 1.00 0.00 C ATOM 1305 CG TYR A 82 -14.615 8.071 -8.193 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -13.762 8.653 -9.149 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -15.753 7.353 -8.611 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -14.035 8.519 -10.521 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -16.034 7.215 -9.982 1.00 0.00 C ATOM 1310 CZ TYR A 82 -15.174 7.795 -10.944 1.00 0.00 C ATOM 1311 OH TYR A 82 -15.449 7.656 -12.272 1.00 0.00 O ATOM 0 H TYR A 82 -14.690 9.437 -4.036 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.540 10.370 -6.798 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.223 8.167 -6.575 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -14.747 7.402 -6.169 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -12.892 9.206 -8.826 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -16.410 6.908 -7.878 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -13.377 8.968 -11.250 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -16.907 6.666 -10.301 1.00 0.00 H new ATOM 0 HH TYR A 82 -16.268 7.129 -12.383 1.00 0.00 H new ATOM 1321 N LYS A 83 -16.884 8.737 -5.151 1.00 0.00 N ATOM 1322 CA LYS A 83 -18.313 8.590 -4.882 1.00 0.00 C ATOM 1323 C LYS A 83 -18.799 9.721 -3.958 1.00 0.00 C ATOM 1324 O LYS A 83 -17.998 10.254 -3.189 1.00 0.00 O ATOM 1325 CB LYS A 83 -18.583 7.186 -4.297 1.00 0.00 C ATOM 1326 CG LYS A 83 -17.646 6.800 -3.137 1.00 0.00 C ATOM 1327 CD LYS A 83 -17.644 5.304 -2.806 1.00 0.00 C ATOM 1328 CE LYS A 83 -18.856 4.920 -1.962 1.00 0.00 C ATOM 1329 NZ LYS A 83 -18.810 3.496 -1.574 1.00 0.00 N ATOM 0 H LYS A 83 -16.315 8.105 -4.587 1.00 0.00 H new ATOM 0 HA LYS A 83 -18.881 8.676 -5.808 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -19.614 7.141 -3.948 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -18.484 6.447 -5.092 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -16.630 7.107 -3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -17.938 7.358 -2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -17.644 4.725 -3.730 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -16.730 5.049 -2.270 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -18.891 5.542 -1.068 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -19.770 5.117 -2.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -19.647 3.265 -1.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -18.801 2.903 -2.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -17.950 3.315 -1.018 1.00 0.00 H new ATOM 1343 N PRO A 84 -20.096 10.089 -3.997 1.00 0.00 N ATOM 1344 CA PRO A 84 -20.659 11.166 -3.185 1.00 0.00 C ATOM 1345 C PRO A 84 -20.866 10.709 -1.731 1.00 0.00 C ATOM 1346 O PRO A 84 -21.984 10.412 -1.312 1.00 0.00 O ATOM 1347 CB PRO A 84 -21.960 11.558 -3.897 1.00 0.00 C ATOM 1348 CG PRO A 84 -22.419 10.243 -4.525 1.00 0.00 C ATOM 1349 CD PRO A 84 -21.098 9.594 -4.933 1.00 0.00 C ATOM 0 HA PRO A 84 -19.997 12.028 -3.103 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -22.699 11.951 -3.199 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -21.792 12.328 -4.650 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -22.973 9.626 -3.817 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -23.072 10.408 -5.382 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -21.168 8.507 -4.889 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -20.836 9.856 -5.958 1.00 0.00 H new ATOM 1357 N LYS A 85 -19.770 10.647 -0.963 1.00 0.00 N ATOM 1358 CA LYS A 85 -19.741 10.268 0.447 1.00 0.00 C ATOM 1359 C LYS A 85 -18.797 11.213 1.212 1.00 0.00 C ATOM 1360 O LYS A 85 -18.401 12.256 0.687 1.00 0.00 O ATOM 1361 CB LYS A 85 -19.360 8.773 0.553 1.00 0.00 C ATOM 1362 CG LYS A 85 -20.452 7.791 0.114 1.00 0.00 C ATOM 1363 CD LYS A 85 -21.729 7.876 0.962 1.00 0.00 C ATOM 1364 CE LYS A 85 -22.644 6.712 0.604 1.00 0.00 C ATOM 1365 NZ LYS A 85 -23.934 6.794 1.326 1.00 0.00 N ATOM 0 H LYS A 85 -18.843 10.870 -1.327 1.00 0.00 H new ATOM 0 HA LYS A 85 -20.720 10.377 0.913 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -18.470 8.597 -0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -19.091 8.555 1.587 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -20.704 7.983 -0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -20.058 6.776 0.165 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -21.479 7.845 2.022 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -22.238 8.823 0.782 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -22.827 6.709 -0.471 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -22.149 5.771 0.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -24.533 5.987 1.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -23.760 6.772 2.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -24.416 7.681 1.075 1.00 0.00 H new ATOM 1379 N LEU A 86 -18.468 10.871 2.462 1.00 0.00 N ATOM 1380 CA LEU A 86 -17.603 11.611 3.376 1.00 0.00 C ATOM 1381 C LEU A 86 -16.528 10.659 3.900 1.00 0.00 C ATOM 1382 O LEU A 86 -16.740 9.449 3.974 1.00 0.00 O ATOM 1383 CB LEU A 86 -18.421 12.174 4.558 1.00 0.00 C ATOM 1384 CG LEU A 86 -19.450 13.258 4.170 1.00 0.00 C ATOM 1385 CD1 LEU A 86 -20.640 13.260 5.141 1.00 0.00 C ATOM 1386 CD2 LEU A 86 -18.849 14.665 4.144 1.00 0.00 C ATOM 0 H LEU A 86 -18.824 10.014 2.886 1.00 0.00 H new ATOM 0 HA LEU A 86 -17.145 12.448 2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -18.945 11.351 5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -17.733 12.592 5.293 1.00 0.00 H new ATOM 0 HG LEU A 86 -19.780 13.004 3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -21.350 14.033 4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -21.131 12.287 5.116 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -20.285 13.462 6.152 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -19.619 15.384 3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -18.461 14.913 5.132 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -18.038 14.701 3.416 1.00 0.00 H new ATOM 1398 N GLN A 87 -15.379 11.217 4.279 1.00 0.00 N ATOM 1399 CA GLN A 87 -14.257 10.520 4.897 1.00 0.00 C ATOM 1400 C GLN A 87 -14.093 10.957 6.351 1.00 0.00 C ATOM 1401 O GLN A 87 -13.648 10.154 7.167 1.00 0.00 O ATOM 1402 CB GLN A 87 -12.972 10.822 4.102 1.00 0.00 C ATOM 1403 CG GLN A 87 -12.949 10.151 2.718 1.00 0.00 C ATOM 1404 CD GLN A 87 -12.294 8.777 2.673 1.00 0.00 C ATOM 1405 OE1 GLN A 87 -12.591 7.927 3.645 1.00 0.00 O flip ATOM 1406 NE2 GLN A 87 -11.552 8.468 1.747 1.00 0.00 N flip ATOM 0 H GLN A 87 -15.199 12.214 4.157 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.449 9.447 4.883 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.873 11.900 3.978 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.109 10.486 4.677 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.974 10.059 2.360 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -12.426 10.808 2.022 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.343 9.145 1.014 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -11.144 7.534 1.710 1.00 0.00 H new ATOM 1415 N HIS A 88 -14.463 12.206 6.669 1.00 0.00 N ATOM 1416 CA HIS A 88 -14.292 12.834 7.970 1.00 0.00 C ATOM 1417 C HIS A 88 -14.933 14.200 7.936 1.00 0.00 C ATOM 1418 O HIS A 88 -15.129 14.783 6.872 1.00 0.00 O ATOM 1419 CB HIS A 88 -12.814 12.989 8.324 1.00 0.00 C ATOM 1420 CG HIS A 88 -12.572 13.676 9.645 1.00 0.00 C ATOM 1421 ND1 HIS A 88 -11.943 14.885 9.837 1.00 0.00 N ATOM 1422 CD2 HIS A 88 -12.907 13.180 10.875 1.00 0.00 C ATOM 1423 CE1 HIS A 88 -11.870 15.071 11.166 1.00 0.00 C ATOM 1424 NE2 HIS A 88 -12.448 14.069 11.841 1.00 0.00 N ATOM 0 H HIS A 88 -14.908 12.825 5.992 1.00 0.00 H new ATOM 0 HA HIS A 88 -14.760 12.201 8.724 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -12.351 12.003 8.348 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -12.319 13.555 7.535 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -13.436 12.258 11.063 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -11.402 15.925 11.633 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -12.534 13.977 12.853 1.00 0.00 H new ATOM 1432 N ILE A 89 -15.268 14.692 9.124 1.00 0.00 N ATOM 1433 CA ILE A 89 -15.807 16.007 9.343 1.00 0.00 C ATOM 1434 C ILE A 89 -15.244 16.487 10.672 1.00 0.00 C ATOM 1435 O ILE A 89 -15.028 15.703 11.590 1.00 0.00 O ATOM 1436 CB ILE A 89 -17.348 15.948 9.343 1.00 0.00 C ATOM 1437 CG1 ILE A 89 -17.901 15.423 7.996 1.00 0.00 C ATOM 1438 CG2 ILE A 89 -17.893 17.350 9.651 1.00 0.00 C ATOM 1439 CD1 ILE A 89 -19.373 15.057 8.037 1.00 0.00 C ATOM 0 H ILE A 89 -15.163 14.157 9.986 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.529 16.705 8.553 1.00 0.00 H new ATOM 0 HB ILE A 89 -17.677 15.247 10.110 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -17.747 16.183 7.230 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -17.327 14.547 7.696 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -18.983 17.324 9.654 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -17.535 17.673 10.628 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -17.549 18.050 8.889 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -19.686 14.698 7.057 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -19.533 14.274 8.778 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -19.959 15.936 8.306 1.00 0.00 H new ATOM 1451 N ASP A 90 -15.084 17.795 10.793 1.00 0.00 N ATOM 1452 CA ASP A 90 -14.833 18.444 12.065 1.00 0.00 C ATOM 1453 C ASP A 90 -15.873 19.533 12.291 1.00 0.00 C ATOM 1454 O ASP A 90 -16.574 19.944 11.363 1.00 0.00 O ATOM 1455 CB ASP A 90 -13.399 18.971 12.131 1.00 0.00 C ATOM 1456 CG ASP A 90 -13.027 20.054 11.142 1.00 0.00 C ATOM 1457 OD1 ASP A 90 -13.874 20.922 10.851 1.00 0.00 O ATOM 1458 OD2 ASP A 90 -11.842 20.020 10.754 1.00 0.00 O ATOM 0 H ASP A 90 -15.125 18.439 10.003 1.00 0.00 H new ATOM 0 HA ASP A 90 -14.929 17.721 12.875 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.223 19.353 13.136 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.720 18.130 11.986 1.00 0.00 H new ATOM 1463 N PHE A 91 -15.944 20.015 13.531 1.00 0.00 N ATOM 1464 CA PHE A 91 -16.702 21.176 13.924 1.00 0.00 C ATOM 1465 C PHE A 91 -15.858 21.975 14.921 1.00 0.00 C ATOM 1466 O PHE A 91 -15.015 21.392 15.608 1.00 0.00 O ATOM 1467 CB PHE A 91 -18.012 20.699 14.548 1.00 0.00 C ATOM 1468 CG PHE A 91 -18.653 19.430 14.004 1.00 0.00 C ATOM 1469 CD1 PHE A 91 -18.330 18.187 14.574 1.00 0.00 C ATOM 1470 CD2 PHE A 91 -19.606 19.483 12.971 1.00 0.00 C ATOM 1471 CE1 PHE A 91 -18.936 17.010 14.119 1.00 0.00 C ATOM 1472 CE2 PHE A 91 -20.226 18.299 12.530 1.00 0.00 C ATOM 1473 CZ PHE A 91 -19.883 17.059 13.100 1.00 0.00 C ATOM 0 H PHE A 91 -15.451 19.582 14.312 1.00 0.00 H new ATOM 0 HA PHE A 91 -16.939 21.818 13.076 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -17.838 20.552 15.614 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -18.739 21.506 14.452 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -17.605 18.139 15.373 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -19.861 20.429 12.518 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -18.668 16.061 14.560 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -20.970 18.342 11.749 1.00 0.00 H new ATOM 0 HZ PHE A 91 -20.351 16.151 12.749 1.00 0.00 H new ATOM 1483 N VAL A 92 -16.107 23.286 15.046 1.00 0.00 N ATOM 1484 CA VAL A 92 -15.434 24.111 16.047 1.00 0.00 C ATOM 1485 C VAL A 92 -16.445 24.559 17.089 1.00 0.00 C ATOM 1486 O VAL A 92 -17.620 24.716 16.760 1.00 0.00 O ATOM 1487 CB VAL A 92 -14.654 25.278 15.416 1.00 0.00 C ATOM 1488 CG1 VAL A 92 -13.792 24.753 14.273 1.00 0.00 C ATOM 1489 CG2 VAL A 92 -15.529 26.423 14.882 1.00 0.00 C ATOM 0 H VAL A 92 -16.772 23.795 14.463 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.675 23.512 16.549 1.00 0.00 H new ATOM 0 HB VAL A 92 -14.054 25.698 16.223 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -13.239 25.579 13.825 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -13.090 24.012 14.657 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -14.430 24.292 13.519 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -14.893 27.199 14.456 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -16.199 26.040 14.112 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -16.117 26.843 15.698 1.00 0.00 H new ATOM 1499 N ARG A 93 -15.974 24.753 18.327 1.00 0.00 N ATOM 1500 CA ARG A 93 -16.775 25.082 19.500 1.00 0.00 C ATOM 1501 C ARG A 93 -17.577 26.365 19.302 1.00 0.00 C ATOM 1502 O ARG A 93 -17.094 27.471 19.548 1.00 0.00 O ATOM 1503 CB ARG A 93 -15.899 25.132 20.762 1.00 0.00 C ATOM 1504 CG ARG A 93 -15.670 23.747 21.385 1.00 0.00 C ATOM 1505 CD ARG A 93 -16.970 23.151 21.947 1.00 0.00 C ATOM 1506 NE ARG A 93 -16.686 22.009 22.815 1.00 0.00 N ATOM 1507 CZ ARG A 93 -17.470 21.510 23.779 1.00 0.00 C ATOM 1508 NH1 ARG A 93 -18.730 21.929 23.940 1.00 0.00 N ATOM 1509 NH2 ARG A 93 -16.955 20.588 24.593 1.00 0.00 N ATOM 0 H ARG A 93 -14.980 24.680 18.542 1.00 0.00 H new ATOM 0 HA ARG A 93 -17.506 24.285 19.639 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -14.936 25.576 20.512 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -16.369 25.783 21.499 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -15.257 23.074 20.633 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -14.931 23.825 22.183 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -17.512 23.913 22.507 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -17.616 22.838 21.127 1.00 0.00 H new ATOM 0 HE ARG A 93 -15.792 21.541 22.670 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -19.113 22.644 23.321 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -19.308 21.534 24.682 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -15.989 20.282 24.471 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -17.527 20.188 25.337 1.00 0.00 H new ATOM 1523 N ALA A 94 -18.816 26.170 18.851 1.00 0.00 N ATOM 1524 CA ALA A 94 -19.857 27.187 18.826 1.00 0.00 C ATOM 1525 C ALA A 94 -20.350 27.550 20.232 1.00 0.00 C ATOM 1526 O ALA A 94 -20.890 28.670 20.353 1.00 0.00 O ATOM 1527 CB ALA A 94 -21.002 26.675 17.974 1.00 0.00 C ATOM 1528 OXT ALA A 94 -20.222 26.705 21.147 1.00 0.00 O ATOM 0 H ALA A 94 -19.128 25.272 18.483 1.00 0.00 H new ATOM 0 HA ALA A 94 -19.444 28.101 18.400 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -21.794 27.423 17.942 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -20.645 26.481 16.963 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.391 25.752 18.404 1.00 0.00 H new