USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 575 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 64 SER OG : rot -3:sc= 0.894 USER MOD Set 1.2: A 69 ASN : amide:sc= 0.461 X(o=1.4,f=1.7) USER MOD Set 2.1: A 61 TYR OH : rot 165:sc= -0.514 USER MOD Set 2.2: A 63 LYS NZ :NH3+ -129:sc= -0.724 (180deg=-2.81!) USER MOD Set 3.1: A 18 CYS SG : rot 27:sc= 0.447 USER MOD Set 3.2: A 55 HIS : no HD1:sc= -0.416 X(o=1.1,f=1) USER MOD Set 3.3: A 91 TYR OH : rot 180:sc= 0 USER MOD Set 3.4: A 93 CYS SG : rot 123:sc= 0.205 USER MOD Set 3.5: A 95 CYS SG : rot -132:sc= 0.841 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 166:sc= -0.0175 (180deg=-0.202) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.31) USER MOD Single : A 14 LYS NZ :NH3+ -159:sc= -0.0337 (180deg=-0.322) USER MOD Single : A 16 GLN : amide:sc= -0.229 K(o=-0.23,f=-1) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -58:sc= -3.23! USER MOD Single : A 57 ASN : amide:sc= 0.484 X(o=0.48,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 162:sc= -2.05! (180deg=-3!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 167:sc= -0.0152 (180deg=-0.155) USER MOD Single : A 75 LYS NZ :NH3+ -162:sc=-0.00789 (180deg=-0.664) USER MOD Single : A 76 GLN : amide:sc= -0.0503 K(o=-0.05,f=-0.83) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -166:sc= -0.0519 (180deg=-0.3) USER MOD Single : A 86 SER OG : rot -25:sc= 1.2 USER MOD Single : A 87 ASN : amide:sc= -0.0443 X(o=-0.044,f=-0.083) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0.223 X(o=0.22,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N ILE A 5 -4.409 -4.880 1.226 1.00 4.00 N ATOM 60 CA ILE A 5 -5.566 -4.784 2.098 1.00 24.03 C ATOM 61 C ILE A 5 -6.535 -5.942 1.842 1.00 42.41 C ATOM 62 O ILE A 5 -7.271 -6.363 2.736 1.00 22.00 O ATOM 63 CB ILE A 5 -6.273 -3.416 1.896 1.00 75.23 C ATOM 64 CG1 ILE A 5 -6.708 -2.819 3.237 1.00 24.25 C ATOM 65 CG2 ILE A 5 -7.460 -3.533 0.949 1.00 3.52 C ATOM 66 CD1 ILE A 5 -7.734 -3.639 3.983 1.00 54.42 C ATOM 0 HA ILE A 5 -5.230 -4.852 3.133 1.00 24.03 H new ATOM 0 HB ILE A 5 -5.550 -2.741 1.439 1.00 75.23 H new ATOM 0 HG12 ILE A 5 -5.828 -2.698 3.869 1.00 24.25 H new ATOM 0 HG13 ILE A 5 -7.114 -1.823 3.062 1.00 24.25 H new ATOM 0 HG21 ILE A 5 -7.930 -2.556 0.832 1.00 3.52 H new ATOM 0 HG22 ILE A 5 -7.117 -3.889 -0.022 1.00 3.52 H new ATOM 0 HG23 ILE A 5 -8.184 -4.237 1.359 1.00 3.52 H new ATOM 0 HD11 ILE A 5 -7.984 -3.143 4.921 1.00 54.42 H new ATOM 0 HD12 ILE A 5 -8.632 -3.739 3.374 1.00 54.42 H new ATOM 0 HD13 ILE A 5 -7.326 -4.628 4.193 1.00 54.42 H new ATOM 78 N GLU A 6 -6.499 -6.476 0.629 1.00 72.01 N ATOM 79 CA GLU A 6 -7.409 -7.542 0.245 1.00 72.04 C ATOM 80 C GLU A 6 -7.079 -8.802 1.021 1.00 71.12 C ATOM 81 O GLU A 6 -7.973 -9.497 1.507 1.00 10.42 O ATOM 82 CB GLU A 6 -7.347 -7.811 -1.260 1.00 63.34 C ATOM 83 CG GLU A 6 -7.876 -6.666 -2.117 1.00 43.14 C ATOM 84 CD GLU A 6 -6.953 -5.461 -2.136 1.00 44.43 C ATOM 85 OE1 GLU A 6 -5.728 -5.639 -1.987 1.00 4.54 O ATOM 86 OE2 GLU A 6 -7.445 -4.324 -2.298 1.00 34.34 O ATOM 0 H GLU A 6 -5.850 -6.188 -0.104 1.00 72.01 H new ATOM 0 HA GLU A 6 -8.425 -7.228 0.483 1.00 72.04 H new ATOM 0 HB2 GLU A 6 -6.313 -8.013 -1.540 1.00 63.34 H new ATOM 0 HB3 GLU A 6 -7.920 -8.712 -1.482 1.00 63.34 H new ATOM 0 HG2 GLU A 6 -8.021 -7.021 -3.137 1.00 43.14 H new ATOM 0 HG3 GLU A 6 -8.854 -6.362 -1.743 1.00 43.14 H new ATOM 93 N HIS A 7 -5.788 -9.083 1.145 1.00 64.41 N ATOM 94 CA HIS A 7 -5.321 -10.173 1.981 1.00 74.14 C ATOM 95 C HIS A 7 -5.873 -10.032 3.386 1.00 23.34 C ATOM 96 O HIS A 7 -6.425 -10.984 3.933 1.00 62.44 O ATOM 97 CB HIS A 7 -3.792 -10.208 2.020 1.00 34.23 C ATOM 98 CG HIS A 7 -3.186 -11.177 1.052 1.00 54.11 C ATOM 99 ND1 HIS A 7 -2.605 -10.812 -0.139 1.00 11.43 N ATOM 100 CD2 HIS A 7 -3.060 -12.525 1.131 1.00 3.02 C ATOM 101 CE1 HIS A 7 -2.149 -11.918 -0.734 1.00 12.24 C ATOM 102 NE2 HIS A 7 -2.399 -12.989 -0.003 1.00 41.11 N ATOM 0 H HIS A 7 -5.046 -8.566 0.673 1.00 64.41 H new ATOM 0 HA HIS A 7 -5.678 -11.109 1.552 1.00 74.14 H new ATOM 0 HB2 HIS A 7 -3.409 -9.210 1.808 1.00 34.23 H new ATOM 0 HB3 HIS A 7 -3.469 -10.466 3.029 1.00 34.23 H new ATOM 0 HD2 HIS A 7 -3.416 -13.140 1.944 1.00 3.02 H new ATOM 0 HE1 HIS A 7 -1.642 -11.934 -1.688 1.00 12.24 H new ATOM 0 HE2 HIS A 7 -2.158 -13.955 -0.223 1.00 41.11 H new ATOM 110 N LYS A 8 -5.752 -8.829 3.943 1.00 63.02 N ATOM 111 CA LYS A 8 -6.186 -8.564 5.315 1.00 23.43 C ATOM 112 C LYS A 8 -7.634 -8.982 5.527 1.00 11.11 C ATOM 113 O LYS A 8 -7.933 -9.747 6.444 1.00 64.33 O ATOM 114 CB LYS A 8 -6.049 -7.078 5.657 1.00 74.55 C ATOM 115 CG LYS A 8 -4.727 -6.457 5.250 1.00 4.42 C ATOM 116 CD LYS A 8 -3.546 -7.250 5.771 1.00 3.14 C ATOM 117 CE LYS A 8 -2.238 -6.584 5.395 1.00 40.30 C ATOM 118 NZ LYS A 8 -2.062 -5.270 6.074 1.00 33.15 N ATOM 0 H LYS A 8 -5.356 -8.020 3.465 1.00 63.02 H new ATOM 0 HA LYS A 8 -5.542 -9.151 5.970 1.00 23.43 H new ATOM 0 HB2 LYS A 8 -6.857 -6.531 5.172 1.00 74.55 H new ATOM 0 HB3 LYS A 8 -6.179 -6.952 6.732 1.00 74.55 H new ATOM 0 HG2 LYS A 8 -4.673 -6.398 4.163 1.00 4.42 H new ATOM 0 HG3 LYS A 8 -4.674 -5.436 5.628 1.00 4.42 H new ATOM 0 HD2 LYS A 8 -3.614 -7.341 6.855 1.00 3.14 H new ATOM 0 HD3 LYS A 8 -3.574 -8.261 5.364 1.00 3.14 H new ATOM 0 HE2 LYS A 8 -1.409 -7.241 5.657 1.00 40.30 H new ATOM 0 HE3 LYS A 8 -2.202 -6.441 4.315 1.00 40.30 H new ATOM 0 HZ1 LYS A 8 -1.073 -4.962 5.983 1.00 33.15 H new ATOM 0 HZ2 LYS A 8 -2.686 -4.565 5.633 1.00 33.15 H new ATOM 0 HZ3 LYS A 8 -2.304 -5.365 7.081 1.00 33.15 H new ATOM 132 N VAL A 9 -8.522 -8.480 4.673 1.00 63.25 N ATOM 133 CA VAL A 9 -9.944 -8.787 4.773 1.00 3.25 C ATOM 134 C VAL A 9 -10.176 -10.291 4.778 1.00 40.32 C ATOM 135 O VAL A 9 -10.961 -10.808 5.573 1.00 31.44 O ATOM 136 CB VAL A 9 -10.745 -8.170 3.610 1.00 21.11 C ATOM 137 CG1 VAL A 9 -12.231 -8.455 3.770 1.00 71.10 C ATOM 138 CG2 VAL A 9 -10.494 -6.679 3.511 1.00 61.05 C ATOM 0 H VAL A 9 -8.280 -7.857 3.902 1.00 63.25 H new ATOM 0 HA VAL A 9 -10.291 -8.355 5.712 1.00 3.25 H new ATOM 0 HB VAL A 9 -10.405 -8.632 2.683 1.00 21.11 H new ATOM 0 HG11 VAL A 9 -12.778 -8.011 2.939 1.00 71.10 H new ATOM 0 HG12 VAL A 9 -12.396 -9.532 3.779 1.00 71.10 H new ATOM 0 HG13 VAL A 9 -12.585 -8.026 4.708 1.00 71.10 H new ATOM 0 HG21 VAL A 9 -11.071 -6.267 2.683 1.00 61.05 H new ATOM 0 HG22 VAL A 9 -10.798 -6.196 4.440 1.00 61.05 H new ATOM 0 HG23 VAL A 9 -9.433 -6.499 3.339 1.00 61.05 H new ATOM 148 N TYR A 10 -9.468 -10.994 3.909 1.00 13.51 N ATOM 149 CA TYR A 10 -9.647 -12.427 3.789 1.00 52.31 C ATOM 150 C TYR A 10 -9.093 -13.123 5.023 1.00 73.34 C ATOM 151 O TYR A 10 -9.681 -14.077 5.521 1.00 25.12 O ATOM 152 CB TYR A 10 -8.946 -12.983 2.545 1.00 23.33 C ATOM 153 CG TYR A 10 -9.325 -12.325 1.231 1.00 34.14 C ATOM 154 CD1 TYR A 10 -10.505 -11.603 1.088 1.00 52.41 C ATOM 155 CD2 TYR A 10 -8.495 -12.443 0.124 1.00 3.13 C ATOM 156 CE1 TYR A 10 -10.844 -11.019 -0.117 1.00 5.02 C ATOM 157 CE2 TYR A 10 -8.827 -11.864 -1.083 1.00 12.24 C ATOM 158 CZ TYR A 10 -10.004 -11.154 -1.199 1.00 24.22 C ATOM 159 OH TYR A 10 -10.343 -10.581 -2.405 1.00 51.51 O ATOM 0 H TYR A 10 -8.769 -10.597 3.281 1.00 13.51 H new ATOM 0 HA TYR A 10 -10.716 -12.618 3.696 1.00 52.31 H new ATOM 0 HB2 TYR A 10 -7.869 -12.886 2.682 1.00 23.33 H new ATOM 0 HB3 TYR A 10 -9.163 -14.049 2.473 1.00 23.33 H new ATOM 0 HD1 TYR A 10 -11.168 -11.497 1.934 1.00 52.41 H new ATOM 0 HD2 TYR A 10 -7.573 -12.998 0.210 1.00 3.13 H new ATOM 0 HE1 TYR A 10 -11.763 -10.460 -0.210 1.00 5.02 H new ATOM 0 HE2 TYR A 10 -8.169 -11.966 -1.933 1.00 12.24 H new ATOM 0 HH TYR A 10 -9.643 -10.769 -3.065 1.00 51.51 H new ATOM 169 N GLN A 11 -7.970 -12.614 5.526 1.00 55.41 N ATOM 170 CA GLN A 11 -7.262 -13.244 6.636 1.00 11.11 C ATOM 171 C GLN A 11 -8.167 -13.445 7.841 1.00 43.14 C ATOM 172 O GLN A 11 -8.229 -14.537 8.405 1.00 14.10 O ATOM 173 CB GLN A 11 -6.041 -12.420 7.055 1.00 25.31 C ATOM 174 CG GLN A 11 -4.944 -12.348 6.003 1.00 40.24 C ATOM 175 CD GLN A 11 -4.658 -13.683 5.345 1.00 33.15 C ATOM 176 OE1 GLN A 11 -3.831 -14.463 5.814 1.00 5.45 O ATOM 177 NE2 GLN A 11 -5.327 -13.938 4.231 1.00 52.12 N ATOM 0 H GLN A 11 -7.530 -11.762 5.179 1.00 55.41 H new ATOM 0 HA GLN A 11 -6.932 -14.220 6.280 1.00 11.11 H new ATOM 0 HB2 GLN A 11 -6.365 -11.407 7.295 1.00 25.31 H new ATOM 0 HB3 GLN A 11 -5.625 -12.846 7.968 1.00 25.31 H new ATOM 0 HG2 GLN A 11 -5.231 -11.627 5.237 1.00 40.24 H new ATOM 0 HG3 GLN A 11 -4.030 -11.975 6.466 1.00 40.24 H new ATOM 0 HE21 GLN A 11 -6.004 -13.263 3.877 1.00 52.12 H new ATOM 0 HE22 GLN A 11 -5.165 -14.810 3.727 1.00 52.12 H new ATOM 186 N LEU A 12 -8.882 -12.400 8.213 1.00 44.21 N ATOM 187 CA LEU A 12 -9.673 -12.426 9.430 1.00 0.43 C ATOM 188 C LEU A 12 -11.107 -12.872 9.177 1.00 74.31 C ATOM 189 O LEU A 12 -11.622 -13.726 9.889 1.00 45.35 O ATOM 190 CB LEU A 12 -9.631 -11.061 10.136 1.00 73.04 C ATOM 191 CG LEU A 12 -9.316 -9.845 9.255 1.00 70.01 C ATOM 192 CD1 LEU A 12 -10.546 -9.390 8.488 1.00 4.41 C ATOM 193 CD2 LEU A 12 -8.767 -8.709 10.101 1.00 2.12 C ATOM 0 H LEU A 12 -8.932 -11.525 7.692 1.00 44.21 H new ATOM 0 HA LEU A 12 -9.225 -13.169 10.091 1.00 0.43 H new ATOM 0 HB2 LEU A 12 -10.596 -10.895 10.615 1.00 73.04 H new ATOM 0 HB3 LEU A 12 -8.885 -11.110 10.930 1.00 73.04 H new ATOM 0 HG LEU A 12 -8.558 -10.140 8.529 1.00 70.01 H new ATOM 0 HD11 LEU A 12 -10.292 -8.527 7.872 1.00 4.41 H new ATOM 0 HD12 LEU A 12 -10.897 -10.201 7.849 1.00 4.41 H new ATOM 0 HD13 LEU A 12 -11.332 -9.116 9.191 1.00 4.41 H new ATOM 0 HD21 LEU A 12 -8.548 -7.853 9.463 1.00 2.12 H new ATOM 0 HD22 LEU A 12 -9.505 -8.424 10.850 1.00 2.12 H new ATOM 0 HD23 LEU A 12 -7.853 -9.034 10.598 1.00 2.12 H new ATOM 205 N LEU A 13 -11.741 -12.325 8.153 1.00 74.12 N ATOM 206 CA LEU A 13 -13.158 -12.595 7.906 1.00 74.41 C ATOM 207 C LEU A 13 -13.429 -14.059 7.610 1.00 53.33 C ATOM 208 O LEU A 13 -14.394 -14.630 8.123 1.00 20.12 O ATOM 209 CB LEU A 13 -13.685 -11.744 6.759 1.00 54.13 C ATOM 210 CG LEU A 13 -13.878 -10.274 7.089 1.00 41.53 C ATOM 211 CD1 LEU A 13 -14.578 -9.575 5.942 1.00 52.24 C ATOM 212 CD2 LEU A 13 -14.670 -10.134 8.374 1.00 63.24 C ATOM 0 H LEU A 13 -11.305 -11.694 7.480 1.00 74.12 H new ATOM 0 HA LEU A 13 -13.681 -12.334 8.826 1.00 74.41 H new ATOM 0 HB2 LEU A 13 -12.995 -11.825 5.919 1.00 54.13 H new ATOM 0 HB3 LEU A 13 -14.639 -12.156 6.429 1.00 54.13 H new ATOM 0 HG LEU A 13 -12.905 -9.804 7.233 1.00 41.53 H new ATOM 0 HD11 LEU A 13 -14.713 -8.521 6.186 1.00 52.24 H new ATOM 0 HD12 LEU A 13 -13.974 -9.664 5.039 1.00 52.24 H new ATOM 0 HD13 LEU A 13 -15.551 -10.036 5.775 1.00 52.24 H new ATOM 0 HD21 LEU A 13 -14.805 -9.077 8.605 1.00 63.24 H new ATOM 0 HD22 LEU A 13 -15.645 -10.606 8.254 1.00 63.24 H new ATOM 0 HD23 LEU A 13 -14.130 -10.617 9.188 1.00 63.24 H new ATOM 224 N LYS A 14 -12.593 -14.662 6.779 1.00 30.34 N ATOM 225 CA LYS A 14 -12.772 -16.063 6.420 1.00 74.44 C ATOM 226 C LYS A 14 -12.547 -16.950 7.640 1.00 62.44 C ATOM 227 O LYS A 14 -13.053 -18.071 7.710 1.00 52.34 O ATOM 228 CB LYS A 14 -11.822 -16.464 5.286 1.00 75.53 C ATOM 229 CG LYS A 14 -10.461 -16.942 5.762 1.00 23.43 C ATOM 230 CD LYS A 14 -9.503 -17.172 4.607 1.00 3.43 C ATOM 231 CE LYS A 14 -8.236 -17.871 5.071 1.00 53.40 C ATOM 232 NZ LYS A 14 -7.674 -17.246 6.299 1.00 13.32 N ATOM 0 H LYS A 14 -11.790 -14.209 6.343 1.00 30.34 H new ATOM 0 HA LYS A 14 -13.795 -16.199 6.068 1.00 74.44 H new ATOM 0 HB2 LYS A 14 -12.288 -17.254 4.697 1.00 75.53 H new ATOM 0 HB3 LYS A 14 -11.684 -15.611 4.622 1.00 75.53 H new ATOM 0 HG2 LYS A 14 -10.036 -16.205 6.444 1.00 23.43 H new ATOM 0 HG3 LYS A 14 -10.579 -17.868 6.325 1.00 23.43 H new ATOM 0 HD2 LYS A 14 -9.992 -17.773 3.840 1.00 3.43 H new ATOM 0 HD3 LYS A 14 -9.247 -16.217 4.149 1.00 3.43 H new ATOM 0 HE2 LYS A 14 -8.452 -18.922 5.265 1.00 53.40 H new ATOM 0 HE3 LYS A 14 -7.492 -17.840 4.275 1.00 53.40 H new ATOM 0 HZ1 LYS A 14 -6.667 -17.492 6.384 1.00 13.32 H new ATOM 0 HZ2 LYS A 14 -7.774 -16.213 6.240 1.00 13.32 H new ATOM 0 HZ3 LYS A 14 -8.187 -17.596 7.133 1.00 13.32 H new ATOM 246 N ASP A 15 -11.802 -16.424 8.607 1.00 21.22 N ATOM 247 CA ASP A 15 -11.470 -17.169 9.813 1.00 2.33 C ATOM 248 C ASP A 15 -12.603 -17.086 10.822 1.00 44.52 C ATOM 249 O ASP A 15 -12.878 -18.046 11.540 1.00 12.21 O ATOM 250 CB ASP A 15 -10.186 -16.625 10.434 1.00 32.00 C ATOM 251 CG ASP A 15 -9.597 -17.566 11.463 1.00 33.54 C ATOM 252 OD1 ASP A 15 -9.115 -18.655 11.070 1.00 61.32 O ATOM 253 OD2 ASP A 15 -9.594 -17.222 12.663 1.00 5.11 O ATOM 0 H ASP A 15 -11.416 -15.480 8.577 1.00 21.22 H new ATOM 0 HA ASP A 15 -11.320 -18.213 9.539 1.00 2.33 H new ATOM 0 HB2 ASP A 15 -9.453 -16.447 9.647 1.00 32.00 H new ATOM 0 HB3 ASP A 15 -10.392 -15.662 10.902 1.00 32.00 H new ATOM 258 N GLN A 16 -13.258 -15.931 10.873 1.00 62.34 N ATOM 259 CA GLN A 16 -14.397 -15.741 11.769 1.00 72.44 C ATOM 260 C GLN A 16 -15.552 -16.619 11.330 1.00 73.24 C ATOM 261 O GLN A 16 -16.265 -17.195 12.149 1.00 33.14 O ATOM 262 CB GLN A 16 -14.867 -14.285 11.777 1.00 31.54 C ATOM 263 CG GLN A 16 -13.749 -13.284 11.842 1.00 4.33 C ATOM 264 CD GLN A 16 -14.038 -12.159 12.802 1.00 73.41 C ATOM 265 OE1 GLN A 16 -14.673 -12.349 13.840 1.00 65.35 O ATOM 266 NE2 GLN A 16 -13.617 -10.972 12.431 1.00 74.11 N ATOM 0 H GLN A 16 -13.023 -15.115 10.308 1.00 62.34 H new ATOM 0 HA GLN A 16 -14.073 -16.012 12.774 1.00 72.44 H new ATOM 0 HB2 GLN A 16 -15.456 -14.099 10.879 1.00 31.54 H new ATOM 0 HB3 GLN A 16 -15.528 -14.132 12.630 1.00 31.54 H new ATOM 0 HG2 GLN A 16 -12.831 -13.788 12.144 1.00 4.33 H new ATOM 0 HG3 GLN A 16 -13.575 -12.873 10.847 1.00 4.33 H new ATOM 0 HE21 GLN A 16 -13.094 -10.865 11.562 1.00 74.11 H new ATOM 0 HE22 GLN A 16 -13.813 -10.157 13.012 1.00 74.11 H new ATOM 275 N GLY A 17 -15.716 -16.720 10.022 1.00 62.22 N ATOM 276 CA GLY A 17 -16.813 -17.476 9.473 1.00 35.25 C ATOM 277 C GLY A 17 -17.529 -16.729 8.376 1.00 23.35 C ATOM 278 O GLY A 17 -18.762 -16.748 8.294 1.00 4.34 O ATOM 0 H GLY A 17 -15.104 -16.288 9.329 1.00 62.22 H new ATOM 0 HA2 GLY A 17 -16.440 -18.422 9.082 1.00 35.25 H new ATOM 0 HA3 GLY A 17 -17.520 -17.716 10.267 1.00 35.25 H new ATOM 282 N CYS A 18 -16.771 -16.032 7.546 1.00 71.04 N ATOM 283 CA CYS A 18 -17.352 -15.401 6.376 1.00 20.25 C ATOM 284 C CYS A 18 -16.591 -15.783 5.121 1.00 51.51 C ATOM 285 O CYS A 18 -15.367 -15.780 5.108 1.00 50.01 O ATOM 286 CB CYS A 18 -17.354 -13.882 6.518 1.00 73.33 C ATOM 287 SG CYS A 18 -18.679 -13.080 5.562 1.00 52.21 S ATOM 0 H CYS A 18 -15.767 -15.891 7.658 1.00 71.04 H new ATOM 0 HA CYS A 18 -18.380 -15.753 6.294 1.00 20.25 H new ATOM 0 HB2 CYS A 18 -17.464 -13.621 7.571 1.00 73.33 H new ATOM 0 HB3 CYS A 18 -16.390 -13.491 6.192 1.00 73.33 H new ATOM 0 HG CYS A 18 -19.671 -13.907 5.417 1.00 52.21 H new ATOM 292 N GLU A 19 -17.321 -16.126 4.075 1.00 15.44 N ATOM 293 CA GLU A 19 -16.722 -16.326 2.759 1.00 73.02 C ATOM 294 C GLU A 19 -17.387 -15.394 1.752 1.00 41.20 C ATOM 295 O GLU A 19 -17.066 -15.397 0.565 1.00 25.42 O ATOM 296 CB GLU A 19 -16.880 -17.781 2.301 1.00 44.32 C ATOM 297 CG GLU A 19 -18.300 -18.147 1.887 1.00 51.31 C ATOM 298 CD GLU A 19 -19.283 -18.059 3.031 1.00 30.10 C ATOM 299 OE1 GLU A 19 -19.830 -16.963 3.257 1.00 51.43 O ATOM 300 OE2 GLU A 19 -19.505 -19.074 3.718 1.00 64.32 O ATOM 0 H GLU A 19 -18.330 -16.273 4.107 1.00 15.44 H new ATOM 0 HA GLU A 19 -15.657 -16.101 2.823 1.00 73.02 H new ATOM 0 HB2 GLU A 19 -16.209 -17.962 1.461 1.00 44.32 H new ATOM 0 HB3 GLU A 19 -16.566 -18.442 3.109 1.00 44.32 H new ATOM 0 HG2 GLU A 19 -18.622 -17.483 1.085 1.00 51.31 H new ATOM 0 HG3 GLU A 19 -18.307 -19.160 1.485 1.00 51.31 H new ATOM 307 N ASP A 20 -18.311 -14.588 2.251 1.00 12.00 N ATOM 308 CA ASP A 20 -19.155 -13.770 1.403 1.00 73.14 C ATOM 309 C ASP A 20 -18.692 -12.318 1.411 1.00 2.11 C ATOM 310 O ASP A 20 -19.190 -11.495 2.187 1.00 13.22 O ATOM 311 CB ASP A 20 -20.610 -13.871 1.867 1.00 32.33 C ATOM 312 CG ASP A 20 -21.569 -13.047 1.029 1.00 61.31 C ATOM 313 OD1 ASP A 20 -21.359 -12.939 -0.196 1.00 25.33 O ATOM 314 OD2 ASP A 20 -22.542 -12.512 1.597 1.00 1.01 O ATOM 0 H ASP A 20 -18.494 -14.485 3.249 1.00 12.00 H new ATOM 0 HA ASP A 20 -19.081 -14.139 0.380 1.00 73.14 H new ATOM 0 HB2 ASP A 20 -20.921 -14.915 1.839 1.00 32.33 H new ATOM 0 HB3 ASP A 20 -20.676 -13.546 2.905 1.00 32.33 H new ATOM 319 N PHE A 21 -17.700 -12.033 0.581 1.00 1.15 N ATOM 320 CA PHE A 21 -17.154 -10.686 0.434 1.00 72.10 C ATOM 321 C PHE A 21 -16.221 -10.619 -0.772 1.00 44.23 C ATOM 322 O PHE A 21 -15.764 -11.653 -1.266 1.00 42.30 O ATOM 323 CB PHE A 21 -16.407 -10.250 1.705 1.00 53.43 C ATOM 324 CG PHE A 21 -15.508 -11.305 2.294 1.00 44.14 C ATOM 325 CD1 PHE A 21 -14.243 -11.544 1.779 1.00 24.12 C ATOM 326 CD2 PHE A 21 -15.933 -12.054 3.374 1.00 50.30 C ATOM 327 CE1 PHE A 21 -13.424 -12.513 2.336 1.00 23.51 C ATOM 328 CE2 PHE A 21 -15.124 -13.020 3.929 1.00 51.13 C ATOM 329 CZ PHE A 21 -13.866 -13.252 3.413 1.00 53.31 C ATOM 0 H PHE A 21 -17.248 -12.729 -0.012 1.00 1.15 H new ATOM 0 HA PHE A 21 -17.987 -10.001 0.276 1.00 72.10 H new ATOM 0 HB2 PHE A 21 -15.809 -9.368 1.475 1.00 53.43 H new ATOM 0 HB3 PHE A 21 -17.138 -9.952 2.457 1.00 53.43 H new ATOM 0 HD1 PHE A 21 -13.892 -10.969 0.935 1.00 24.12 H new ATOM 0 HD2 PHE A 21 -16.915 -11.879 3.789 1.00 50.30 H new ATOM 0 HE1 PHE A 21 -12.440 -12.689 1.927 1.00 23.51 H new ATOM 0 HE2 PHE A 21 -15.475 -13.598 4.771 1.00 51.13 H new ATOM 0 HZ PHE A 21 -13.231 -14.008 3.850 1.00 53.31 H new ATOM 339 N GLY A 22 -15.955 -9.408 -1.242 1.00 43.11 N ATOM 340 CA GLY A 22 -15.067 -9.220 -2.373 1.00 63.31 C ATOM 341 C GLY A 22 -15.069 -7.786 -2.855 1.00 74.42 C ATOM 342 O GLY A 22 -15.870 -6.978 -2.394 1.00 53.11 O ATOM 0 H GLY A 22 -16.341 -8.546 -0.857 1.00 43.11 H new ATOM 0 HA2 GLY A 22 -14.054 -9.508 -2.092 1.00 63.31 H new ATOM 0 HA3 GLY A 22 -15.371 -9.878 -3.187 1.00 63.31 H new ATOM 346 N THR A 23 -14.173 -7.458 -3.772 1.00 60.22 N ATOM 347 CA THR A 23 -14.082 -6.102 -4.288 1.00 42.21 C ATOM 348 C THR A 23 -14.871 -5.942 -5.580 1.00 51.43 C ATOM 349 O THR A 23 -15.049 -6.898 -6.340 1.00 61.34 O ATOM 350 CB THR A 23 -12.617 -5.693 -4.548 1.00 44.44 C ATOM 351 OG1 THR A 23 -11.961 -6.682 -5.354 1.00 33.04 O ATOM 352 CG2 THR A 23 -11.861 -5.514 -3.243 1.00 13.53 C ATOM 0 H THR A 23 -13.500 -8.111 -4.174 1.00 60.22 H new ATOM 0 HA THR A 23 -14.508 -5.452 -3.523 1.00 42.21 H new ATOM 0 HB THR A 23 -12.623 -4.741 -5.078 1.00 44.44 H new ATOM 0 HG1 THR A 23 -11.033 -6.411 -5.514 1.00 33.04 H new ATOM 0 HG21 THR A 23 -10.831 -5.226 -3.455 1.00 13.53 H new ATOM 0 HG22 THR A 23 -12.340 -4.736 -2.649 1.00 13.53 H new ATOM 0 HG23 THR A 23 -11.868 -6.451 -2.687 1.00 13.53 H new ATOM 360 N LYS A 24 -15.355 -4.737 -5.815 1.00 32.11 N ATOM 361 CA LYS A 24 -15.966 -4.398 -7.085 1.00 45.24 C ATOM 362 C LYS A 24 -15.398 -3.076 -7.576 1.00 71.14 C ATOM 363 O LYS A 24 -15.266 -2.121 -6.809 1.00 0.45 O ATOM 364 CB LYS A 24 -17.503 -4.335 -6.975 1.00 41.32 C ATOM 365 CG LYS A 24 -18.055 -3.150 -6.185 1.00 72.40 C ATOM 366 CD LYS A 24 -18.572 -2.040 -7.096 1.00 52.22 C ATOM 367 CE LYS A 24 -19.279 -0.955 -6.294 1.00 53.42 C ATOM 368 NZ LYS A 24 -19.727 0.185 -7.135 1.00 70.11 N ATOM 0 H LYS A 24 -15.336 -3.974 -5.139 1.00 32.11 H new ATOM 0 HA LYS A 24 -15.733 -5.180 -7.807 1.00 45.24 H new ATOM 0 HB2 LYS A 24 -17.921 -4.306 -7.981 1.00 41.32 H new ATOM 0 HB3 LYS A 24 -17.855 -5.256 -6.510 1.00 41.32 H new ATOM 0 HG2 LYS A 24 -18.862 -3.492 -5.537 1.00 72.40 H new ATOM 0 HG3 LYS A 24 -17.274 -2.752 -5.537 1.00 72.40 H new ATOM 0 HD2 LYS A 24 -17.741 -1.604 -7.650 1.00 52.22 H new ATOM 0 HD3 LYS A 24 -19.259 -2.459 -7.831 1.00 52.22 H new ATOM 0 HE2 LYS A 24 -20.142 -1.388 -5.788 1.00 53.42 H new ATOM 0 HE3 LYS A 24 -18.607 -0.586 -5.519 1.00 53.42 H new ATOM 0 HZ1 LYS A 24 -20.201 0.892 -6.537 1.00 70.11 H new ATOM 0 HZ2 LYS A 24 -18.903 0.619 -7.598 1.00 70.11 H new ATOM 0 HZ3 LYS A 24 -20.391 -0.157 -7.859 1.00 70.11 H new ATOM 743 N TYR A 47 -16.046 7.805 -13.313 1.00 44.21 N ATOM 744 CA TYR A 47 -15.228 7.562 -12.151 1.00 52.33 C ATOM 745 C TYR A 47 -15.223 6.079 -11.833 1.00 24.12 C ATOM 746 O TYR A 47 -16.240 5.400 -11.980 1.00 42.01 O ATOM 747 CB TYR A 47 -15.754 8.357 -10.954 1.00 12.23 C ATOM 748 CG TYR A 47 -15.634 9.864 -11.091 1.00 62.22 C ATOM 749 CD1 TYR A 47 -16.556 10.600 -11.829 1.00 11.54 C ATOM 750 CD2 TYR A 47 -14.599 10.551 -10.471 1.00 1.14 C ATOM 751 CE1 TYR A 47 -16.445 11.972 -11.944 1.00 63.23 C ATOM 752 CE2 TYR A 47 -14.484 11.923 -10.580 1.00 31.00 C ATOM 753 CZ TYR A 47 -15.410 12.628 -11.318 1.00 65.41 C ATOM 754 OH TYR A 47 -15.302 13.994 -11.427 1.00 54.11 O ATOM 0 HA TYR A 47 -14.209 7.887 -12.360 1.00 52.33 H new ATOM 0 HB2 TYR A 47 -16.802 8.102 -10.798 1.00 12.23 H new ATOM 0 HB3 TYR A 47 -15.214 8.043 -10.061 1.00 12.23 H new ATOM 0 HD1 TYR A 47 -17.372 10.090 -12.320 1.00 11.54 H new ATOM 0 HD2 TYR A 47 -13.870 10.002 -9.893 1.00 1.14 H new ATOM 0 HE1 TYR A 47 -17.168 12.528 -12.523 1.00 63.23 H new ATOM 0 HE2 TYR A 47 -13.673 12.441 -10.090 1.00 31.00 H new ATOM 0 HH TYR A 47 -14.518 14.301 -10.926 1.00 54.11 H new ATOM 764 N TYR A 48 -14.077 5.575 -11.427 1.00 72.40 N ATOM 765 CA TYR A 48 -13.962 4.187 -11.034 1.00 62.11 C ATOM 766 C TYR A 48 -14.630 3.973 -9.686 1.00 32.13 C ATOM 767 O TYR A 48 -14.134 4.439 -8.658 1.00 73.33 O ATOM 768 CB TYR A 48 -12.497 3.757 -10.969 1.00 70.50 C ATOM 769 CG TYR A 48 -11.932 3.301 -12.292 1.00 52.22 C ATOM 770 CD1 TYR A 48 -12.400 3.820 -13.494 1.00 22.15 C ATOM 771 CD2 TYR A 48 -10.938 2.337 -12.337 1.00 53.21 C ATOM 772 CE1 TYR A 48 -11.886 3.391 -14.700 1.00 5.41 C ATOM 773 CE2 TYR A 48 -10.420 1.902 -13.538 1.00 62.51 C ATOM 774 CZ TYR A 48 -10.898 2.434 -14.716 1.00 51.11 C ATOM 775 OH TYR A 48 -10.387 2.001 -15.916 1.00 23.14 O ATOM 0 H TYR A 48 -13.210 6.108 -11.360 1.00 72.40 H new ATOM 0 HA TYR A 48 -14.463 3.575 -11.784 1.00 62.11 H new ATOM 0 HB2 TYR A 48 -11.900 4.591 -10.599 1.00 70.50 H new ATOM 0 HB3 TYR A 48 -12.398 2.948 -10.245 1.00 70.50 H new ATOM 0 HD1 TYR A 48 -13.177 4.570 -13.483 1.00 22.15 H new ATOM 0 HD2 TYR A 48 -10.562 1.919 -11.415 1.00 53.21 H new ATOM 0 HE1 TYR A 48 -12.257 3.804 -15.626 1.00 5.41 H new ATOM 0 HE2 TYR A 48 -9.645 1.150 -13.556 1.00 62.51 H new ATOM 0 HH TYR A 48 -9.697 1.325 -15.753 1.00 23.14 H new ATOM 785 N GLY A 49 -15.768 3.300 -9.702 1.00 45.31 N ATOM 786 CA GLY A 49 -16.468 2.999 -8.474 1.00 12.13 C ATOM 787 C GLY A 49 -15.834 1.839 -7.741 1.00 31.21 C ATOM 788 O GLY A 49 -16.338 0.712 -7.791 1.00 71.12 O ATOM 0 H GLY A 49 -16.221 2.955 -10.548 1.00 45.31 H new ATOM 0 HA2 GLY A 49 -16.470 3.879 -7.831 1.00 12.13 H new ATOM 0 HA3 GLY A 49 -17.509 2.764 -8.696 1.00 12.13 H new ATOM 792 N PHE A 50 -14.712 2.112 -7.088 1.00 42.45 N ATOM 793 CA PHE A 50 -14.015 1.108 -6.304 1.00 40.02 C ATOM 794 C PHE A 50 -14.702 0.923 -4.969 1.00 41.13 C ATOM 795 O PHE A 50 -14.923 1.883 -4.231 1.00 64.24 O ATOM 796 CB PHE A 50 -12.554 1.504 -6.089 1.00 54.21 C ATOM 797 CG PHE A 50 -11.595 0.741 -6.952 1.00 23.33 C ATOM 798 CD1 PHE A 50 -11.312 1.154 -8.242 1.00 24.03 C ATOM 799 CD2 PHE A 50 -10.979 -0.400 -6.468 1.00 53.32 C ATOM 800 CE1 PHE A 50 -10.432 0.442 -9.031 1.00 35.11 C ATOM 801 CE2 PHE A 50 -10.100 -1.115 -7.249 1.00 25.21 C ATOM 802 CZ PHE A 50 -9.824 -0.696 -8.535 1.00 61.33 C ATOM 0 H PHE A 50 -14.265 3.029 -7.088 1.00 42.45 H new ATOM 0 HA PHE A 50 -14.039 0.167 -6.853 1.00 40.02 H new ATOM 0 HB2 PHE A 50 -12.441 2.570 -6.289 1.00 54.21 H new ATOM 0 HB3 PHE A 50 -12.293 1.346 -5.042 1.00 54.21 H new ATOM 0 HD1 PHE A 50 -11.784 2.042 -8.635 1.00 24.03 H new ATOM 0 HD2 PHE A 50 -11.191 -0.734 -5.463 1.00 53.32 H new ATOM 0 HE1 PHE A 50 -10.218 0.774 -10.036 1.00 35.11 H new ATOM 0 HE2 PHE A 50 -9.627 -2.003 -6.856 1.00 25.21 H new ATOM 0 HZ PHE A 50 -9.136 -1.255 -9.151 1.00 61.33 H new ATOM 812 N SER A 51 -15.073 -0.303 -4.669 1.00 14.33 N ATOM 813 CA SER A 51 -15.775 -0.593 -3.439 1.00 11.10 C ATOM 814 C SER A 51 -15.470 -2.001 -2.966 1.00 51.03 C ATOM 815 O SER A 51 -15.126 -2.875 -3.765 1.00 55.31 O ATOM 816 CB SER A 51 -17.278 -0.454 -3.653 1.00 70.42 C ATOM 817 OG SER A 51 -17.577 0.682 -4.440 1.00 73.53 O ATOM 0 H SER A 51 -14.900 -1.115 -5.261 1.00 14.33 H new ATOM 0 HA SER A 51 -15.442 0.117 -2.682 1.00 11.10 H new ATOM 0 HB2 SER A 51 -17.663 -1.350 -4.140 1.00 70.42 H new ATOM 0 HB3 SER A 51 -17.780 -0.375 -2.689 1.00 70.42 H new ATOM 0 HG SER A 51 -17.218 1.484 -4.006 1.00 73.53 H new ATOM 823 N PHE A 52 -15.600 -2.216 -1.675 1.00 15.34 N ATOM 824 CA PHE A 52 -15.486 -3.547 -1.130 1.00 74.41 C ATOM 825 C PHE A 52 -16.839 -3.989 -0.599 1.00 72.13 C ATOM 826 O PHE A 52 -17.437 -3.316 0.250 1.00 13.40 O ATOM 827 CB PHE A 52 -14.443 -3.622 -0.020 1.00 63.20 C ATOM 828 CG PHE A 52 -14.101 -5.041 0.343 1.00 55.04 C ATOM 829 CD1 PHE A 52 -14.929 -5.781 1.172 1.00 64.33 C ATOM 830 CD2 PHE A 52 -12.965 -5.643 -0.171 1.00 35.40 C ATOM 831 CE1 PHE A 52 -14.629 -7.089 1.482 1.00 25.15 C ATOM 832 CE2 PHE A 52 -12.661 -6.954 0.131 1.00 43.22 C ATOM 833 CZ PHE A 52 -13.495 -7.677 0.958 1.00 65.24 C ATOM 0 H PHE A 52 -15.784 -1.487 -0.986 1.00 15.34 H new ATOM 0 HA PHE A 52 -15.160 -4.212 -1.929 1.00 74.41 H new ATOM 0 HB2 PHE A 52 -13.539 -3.102 -0.337 1.00 63.20 H new ATOM 0 HB3 PHE A 52 -14.816 -3.103 0.863 1.00 63.20 H new ATOM 0 HD1 PHE A 52 -15.820 -5.327 1.580 1.00 64.33 H new ATOM 0 HD2 PHE A 52 -12.308 -5.079 -0.817 1.00 35.40 H new ATOM 0 HE1 PHE A 52 -15.279 -7.654 2.134 1.00 25.15 H new ATOM 0 HE2 PHE A 52 -11.773 -7.413 -0.279 1.00 43.22 H new ATOM 0 HZ PHE A 52 -13.261 -8.704 1.196 1.00 65.24 H new ATOM 843 N PHE A 53 -17.303 -5.118 -1.101 1.00 21.33 N ATOM 844 CA PHE A 53 -18.600 -5.657 -0.741 1.00 60.14 C ATOM 845 C PHE A 53 -18.481 -6.752 0.304 1.00 13.11 C ATOM 846 O PHE A 53 -17.561 -7.569 0.266 1.00 12.01 O ATOM 847 CB PHE A 53 -19.294 -6.235 -1.971 1.00 71.23 C ATOM 848 CG PHE A 53 -20.290 -5.311 -2.607 1.00 72.42 C ATOM 849 CD1 PHE A 53 -21.611 -5.330 -2.204 1.00 3.11 C ATOM 850 CD2 PHE A 53 -19.909 -4.434 -3.605 1.00 41.32 C ATOM 851 CE1 PHE A 53 -22.540 -4.488 -2.786 1.00 61.44 C ATOM 852 CE2 PHE A 53 -20.831 -3.589 -4.190 1.00 50.22 C ATOM 853 CZ PHE A 53 -22.148 -3.616 -3.781 1.00 64.42 C ATOM 0 H PHE A 53 -16.789 -5.689 -1.772 1.00 21.33 H new ATOM 0 HA PHE A 53 -19.185 -4.835 -0.328 1.00 60.14 H new ATOM 0 HB2 PHE A 53 -18.538 -6.500 -2.710 1.00 71.23 H new ATOM 0 HB3 PHE A 53 -19.800 -7.158 -1.688 1.00 71.23 H new ATOM 0 HD1 PHE A 53 -21.922 -6.011 -1.425 1.00 3.11 H new ATOM 0 HD2 PHE A 53 -18.880 -4.409 -3.931 1.00 41.32 H new ATOM 0 HE1 PHE A 53 -23.570 -4.513 -2.463 1.00 61.44 H new ATOM 0 HE2 PHE A 53 -20.521 -2.907 -4.968 1.00 50.22 H new ATOM 0 HZ PHE A 53 -22.871 -2.956 -4.238 1.00 64.42 H new ATOM 863 N ARG A 54 -19.413 -6.748 1.236 1.00 45.11 N ATOM 864 CA ARG A 54 -19.589 -7.856 2.159 1.00 11.35 C ATOM 865 C ARG A 54 -21.078 -8.038 2.431 1.00 13.24 C ATOM 866 O ARG A 54 -21.727 -7.129 2.952 1.00 75.24 O ATOM 867 CB ARG A 54 -18.848 -7.638 3.479 1.00 14.22 C ATOM 868 CG ARG A 54 -18.984 -8.834 4.409 1.00 43.22 C ATOM 869 CD ARG A 54 -18.321 -8.617 5.757 1.00 64.43 C ATOM 870 NE ARG A 54 -18.562 -9.758 6.644 1.00 53.23 N ATOM 871 CZ ARG A 54 -18.386 -9.734 7.966 1.00 71.02 C ATOM 872 NH1 ARG A 54 -17.898 -8.658 8.556 1.00 62.21 N ATOM 873 NH2 ARG A 54 -18.685 -10.800 8.701 1.00 53.14 N ATOM 0 H ARG A 54 -20.069 -5.980 1.376 1.00 45.11 H new ATOM 0 HA ARG A 54 -19.167 -8.749 1.697 1.00 11.35 H new ATOM 0 HB2 ARG A 54 -17.793 -7.453 3.277 1.00 14.22 H new ATOM 0 HB3 ARG A 54 -19.239 -6.748 3.972 1.00 14.22 H new ATOM 0 HG2 ARG A 54 -20.041 -9.050 4.561 1.00 43.22 H new ATOM 0 HG3 ARG A 54 -18.545 -9.710 3.931 1.00 43.22 H new ATOM 0 HD2 ARG A 54 -17.249 -8.476 5.622 1.00 64.43 H new ATOM 0 HD3 ARG A 54 -18.707 -7.706 6.215 1.00 64.43 H new ATOM 0 HE ARG A 54 -18.886 -10.629 6.223 1.00 53.23 H new ATOM 0 HH11 ARG A 54 -17.653 -7.838 8.000 1.00 62.21 H new ATOM 0 HH12 ARG A 54 -17.766 -8.646 9.567 1.00 62.21 H new ATOM 0 HH21 ARG A 54 -19.051 -11.641 8.255 1.00 53.14 H new ATOM 0 HH22 ARG A 54 -18.549 -10.777 9.712 1.00 53.14 H new ATOM 887 N HIS A 55 -21.618 -9.196 2.053 1.00 45.52 N ATOM 888 CA HIS A 55 -23.048 -9.489 2.228 1.00 24.53 C ATOM 889 C HIS A 55 -23.929 -8.542 1.424 1.00 63.40 C ATOM 890 O HIS A 55 -25.114 -8.383 1.719 1.00 63.11 O ATOM 891 CB HIS A 55 -23.448 -9.409 3.700 1.00 52.12 C ATOM 892 CG HIS A 55 -23.148 -10.644 4.478 1.00 12.12 C ATOM 893 ND1 HIS A 55 -24.116 -11.509 4.929 1.00 40.13 N ATOM 894 CD2 HIS A 55 -21.962 -11.154 4.899 1.00 63.01 C ATOM 895 CE1 HIS A 55 -23.510 -12.486 5.599 1.00 23.40 C ATOM 896 NE2 HIS A 55 -22.205 -12.321 5.609 1.00 73.20 N ATOM 0 H HIS A 55 -21.087 -9.953 1.621 1.00 45.52 H new ATOM 0 HA HIS A 55 -23.202 -10.503 1.860 1.00 24.53 H new ATOM 0 HB2 HIS A 55 -22.931 -8.567 4.161 1.00 52.12 H new ATOM 0 HB3 HIS A 55 -24.516 -9.202 3.765 1.00 52.12 H new ATOM 0 HD2 HIS A 55 -20.990 -10.722 4.712 1.00 63.01 H new ATOM 0 HE1 HIS A 55 -24.024 -13.309 6.074 1.00 23.40 H new ATOM 0 HE2 HIS A 55 -21.513 -12.927 6.049 1.00 73.20 H new ATOM 904 N GLY A 56 -23.364 -7.926 0.402 1.00 4.20 N ATOM 905 CA GLY A 56 -24.116 -6.970 -0.377 1.00 63.25 C ATOM 906 C GLY A 56 -24.104 -5.586 0.239 1.00 42.40 C ATOM 907 O GLY A 56 -24.822 -4.695 -0.213 1.00 21.22 O ATOM 0 H GLY A 56 -22.401 -8.070 0.098 1.00 4.20 H new ATOM 0 HA2 GLY A 56 -23.702 -6.920 -1.384 1.00 63.25 H new ATOM 0 HA3 GLY A 56 -25.146 -7.313 -0.473 1.00 63.25 H new ATOM 911 N ASN A 57 -23.306 -5.404 1.281 1.00 1.11 N ATOM 912 CA ASN A 57 -23.136 -4.087 1.880 1.00 63.52 C ATOM 913 C ASN A 57 -21.827 -3.489 1.418 1.00 32.13 C ATOM 914 O ASN A 57 -21.031 -4.152 0.752 1.00 53.15 O ATOM 915 CB ASN A 57 -23.123 -4.141 3.409 1.00 74.44 C ATOM 916 CG ASN A 57 -24.295 -4.885 3.997 1.00 61.41 C ATOM 917 OD1 ASN A 57 -25.376 -4.328 4.189 1.00 2.42 O ATOM 918 ND2 ASN A 57 -24.071 -6.140 4.323 1.00 41.21 N ATOM 0 H ASN A 57 -22.768 -6.147 1.728 1.00 1.11 H new ATOM 0 HA ASN A 57 -23.984 -3.479 1.564 1.00 63.52 H new ATOM 0 HB2 ASN A 57 -22.199 -4.616 3.740 1.00 74.44 H new ATOM 0 HB3 ASN A 57 -23.116 -3.124 3.800 1.00 74.44 H new ATOM 0 HD21 ASN A 57 -24.810 -6.695 4.755 1.00 41.21 H new ATOM 0 HD22 ASN A 57 -23.158 -6.558 4.144 1.00 41.21 H new ATOM 925 N ILE A 58 -21.590 -2.255 1.806 1.00 11.41 N ATOM 926 CA ILE A 58 -20.363 -1.573 1.454 1.00 40.33 C ATOM 927 C ILE A 58 -19.524 -1.323 2.690 1.00 72.30 C ATOM 928 O ILE A 58 -19.923 -0.595 3.600 1.00 11.33 O ATOM 929 CB ILE A 58 -20.636 -0.241 0.723 1.00 42.10 C ATOM 930 CG1 ILE A 58 -21.181 -0.522 -0.673 1.00 31.24 C ATOM 931 CG2 ILE A 58 -19.376 0.615 0.647 1.00 12.14 C ATOM 932 CD1 ILE A 58 -20.177 -1.181 -1.595 1.00 51.14 C ATOM 0 H ILE A 58 -22.235 -1.700 2.369 1.00 11.41 H new ATOM 0 HA ILE A 58 -19.814 -2.222 0.771 1.00 40.33 H new ATOM 0 HB ILE A 58 -21.380 0.319 1.290 1.00 42.10 H new ATOM 0 HG12 ILE A 58 -22.059 -1.162 -0.589 1.00 31.24 H new ATOM 0 HG13 ILE A 58 -21.512 0.415 -1.120 1.00 31.24 H new ATOM 0 HG21 ILE A 58 -19.600 1.546 0.127 1.00 12.14 H new ATOM 0 HG22 ILE A 58 -19.026 0.837 1.655 1.00 12.14 H new ATOM 0 HG23 ILE A 58 -18.601 0.074 0.105 1.00 12.14 H new ATOM 0 HD11 ILE A 58 -20.635 -1.350 -2.570 1.00 51.14 H new ATOM 0 HD12 ILE A 58 -19.308 -0.533 -1.710 1.00 51.14 H new ATOM 0 HD13 ILE A 58 -19.864 -2.135 -1.170 1.00 51.14 H new ATOM 944 N VAL A 59 -18.376 -1.961 2.724 1.00 33.44 N ATOM 945 CA VAL A 59 -17.423 -1.746 3.795 1.00 75.42 C ATOM 946 C VAL A 59 -16.429 -0.670 3.380 1.00 54.34 C ATOM 947 O VAL A 59 -15.986 0.145 4.192 1.00 51.22 O ATOM 948 CB VAL A 59 -16.672 -3.044 4.161 1.00 73.15 C ATOM 949 CG1 VAL A 59 -15.617 -2.767 5.214 1.00 44.43 C ATOM 950 CG2 VAL A 59 -17.641 -4.110 4.653 1.00 50.51 C ATOM 0 H VAL A 59 -18.077 -2.636 2.020 1.00 33.44 H new ATOM 0 HA VAL A 59 -17.973 -1.424 4.679 1.00 75.42 H new ATOM 0 HB VAL A 59 -16.180 -3.416 3.262 1.00 73.15 H new ATOM 0 HG11 VAL A 59 -15.097 -3.693 5.460 1.00 44.43 H new ATOM 0 HG12 VAL A 59 -14.901 -2.040 4.830 1.00 44.43 H new ATOM 0 HG13 VAL A 59 -16.093 -2.369 6.110 1.00 44.43 H new ATOM 0 HG21 VAL A 59 -17.089 -5.015 4.905 1.00 50.51 H new ATOM 0 HG22 VAL A 59 -18.164 -3.746 5.537 1.00 50.51 H new ATOM 0 HG23 VAL A 59 -18.365 -4.333 3.869 1.00 50.51 H new ATOM 960 N ALA A 60 -16.109 -0.658 2.098 1.00 71.12 N ATOM 961 CA ALA A 60 -15.189 0.321 1.552 1.00 31.42 C ATOM 962 C ALA A 60 -15.751 0.920 0.277 1.00 30.15 C ATOM 963 O ALA A 60 -16.274 0.199 -0.567 1.00 61.11 O ATOM 964 CB ALA A 60 -13.839 -0.316 1.275 1.00 12.51 C ATOM 0 H ALA A 60 -16.476 -1.319 1.413 1.00 71.12 H new ATOM 0 HA ALA A 60 -15.058 1.116 2.286 1.00 31.42 H new ATOM 0 HB1 ALA A 60 -13.161 0.433 0.866 1.00 12.51 H new ATOM 0 HB2 ALA A 60 -13.426 -0.711 2.203 1.00 12.51 H new ATOM 0 HB3 ALA A 60 -13.960 -1.127 0.557 1.00 12.51 H new ATOM 970 N TYR A 61 -15.662 2.232 0.146 1.00 53.10 N ATOM 971 CA TYR A 61 -16.083 2.898 -1.074 1.00 12.33 C ATOM 972 C TYR A 61 -15.139 4.042 -1.398 1.00 75.35 C ATOM 973 O TYR A 61 -14.855 4.887 -0.547 1.00 25.02 O ATOM 974 CB TYR A 61 -17.521 3.418 -0.960 1.00 44.03 C ATOM 975 CG TYR A 61 -18.037 4.021 -2.251 1.00 44.31 C ATOM 976 CD1 TYR A 61 -18.258 3.223 -3.361 1.00 23.14 C ATOM 977 CD2 TYR A 61 -18.287 5.382 -2.364 1.00 3.34 C ATOM 978 CE1 TYR A 61 -18.708 3.755 -4.551 1.00 50.14 C ATOM 979 CE2 TYR A 61 -18.744 5.925 -3.552 1.00 43.00 C ATOM 980 CZ TYR A 61 -18.950 5.108 -4.644 1.00 4.35 C ATOM 981 OH TYR A 61 -19.399 5.647 -5.831 1.00 42.11 O ATOM 0 H TYR A 61 -15.303 2.856 0.868 1.00 53.10 H new ATOM 0 HA TYR A 61 -16.053 2.167 -1.882 1.00 12.33 H new ATOM 0 HB2 TYR A 61 -18.175 2.599 -0.661 1.00 44.03 H new ATOM 0 HB3 TYR A 61 -17.569 4.168 -0.171 1.00 44.03 H new ATOM 0 HD1 TYR A 61 -18.074 2.161 -3.293 1.00 23.14 H new ATOM 0 HD2 TYR A 61 -18.122 6.026 -1.513 1.00 3.34 H new ATOM 0 HE1 TYR A 61 -18.870 3.114 -5.405 1.00 50.14 H new ATOM 0 HE2 TYR A 61 -18.939 6.985 -3.624 1.00 43.00 H new ATOM 0 HH TYR A 61 -19.746 6.549 -5.670 1.00 42.11 H new ATOM 991 N GLY A 62 -14.645 4.044 -2.621 1.00 24.25 N ATOM 992 CA GLY A 62 -13.786 5.104 -3.081 1.00 33.10 C ATOM 993 C GLY A 62 -13.960 5.338 -4.562 1.00 2.01 C ATOM 994 O GLY A 62 -13.438 4.586 -5.380 1.00 35.31 O ATOM 0 H GLY A 62 -14.828 3.317 -3.313 1.00 24.25 H new ATOM 0 HA2 GLY A 62 -14.010 6.021 -2.536 1.00 33.10 H new ATOM 0 HA3 GLY A 62 -12.747 4.853 -2.869 1.00 33.10 H new ATOM 998 N LYS A 63 -14.728 6.353 -4.911 1.00 61.41 N ATOM 999 CA LYS A 63 -14.949 6.682 -6.301 1.00 34.14 C ATOM 1000 C LYS A 63 -14.000 7.785 -6.742 1.00 14.33 C ATOM 1001 O LYS A 63 -13.967 8.863 -6.149 1.00 42.23 O ATOM 1002 CB LYS A 63 -16.397 7.114 -6.517 1.00 72.31 C ATOM 1003 CG LYS A 63 -16.716 7.433 -7.963 1.00 50.14 C ATOM 1004 CD LYS A 63 -18.186 7.755 -8.173 1.00 31.43 C ATOM 1005 CE LYS A 63 -18.565 9.139 -7.658 1.00 54.41 C ATOM 1006 NZ LYS A 63 -18.744 9.166 -6.182 1.00 65.50 N ATOM 0 H LYS A 63 -15.208 6.962 -4.249 1.00 61.41 H new ATOM 0 HA LYS A 63 -14.754 5.795 -6.903 1.00 34.14 H new ATOM 0 HB2 LYS A 63 -17.061 6.322 -6.172 1.00 72.31 H new ATOM 0 HB3 LYS A 63 -16.603 7.992 -5.904 1.00 72.31 H new ATOM 0 HG2 LYS A 63 -16.111 8.280 -8.288 1.00 50.14 H new ATOM 0 HG3 LYS A 63 -16.439 6.585 -8.589 1.00 50.14 H new ATOM 0 HD2 LYS A 63 -18.419 7.691 -9.236 1.00 31.43 H new ATOM 0 HD3 LYS A 63 -18.794 7.005 -7.667 1.00 31.43 H new ATOM 0 HE2 LYS A 63 -17.791 9.853 -7.940 1.00 54.41 H new ATOM 0 HE3 LYS A 63 -19.488 9.462 -8.139 1.00 54.41 H new ATOM 0 HZ1 LYS A 63 -19.659 9.604 -5.951 1.00 65.50 H new ATOM 0 HZ2 LYS A 63 -18.722 8.194 -5.812 1.00 65.50 H new ATOM 0 HZ3 LYS A 63 -17.977 9.719 -5.749 1.00 65.50 H new ATOM 1020 N SER A 64 -13.215 7.508 -7.771 1.00 1.40 N ATOM 1021 CA SER A 64 -12.294 8.495 -8.313 1.00 64.10 C ATOM 1022 C SER A 64 -12.043 8.236 -9.792 1.00 42.22 C ATOM 1023 O SER A 64 -12.240 7.124 -10.276 1.00 71.31 O ATOM 1024 CB SER A 64 -10.970 8.476 -7.546 1.00 34.32 C ATOM 1025 OG SER A 64 -11.168 8.782 -6.178 1.00 51.41 O ATOM 0 H SER A 64 -13.197 6.607 -8.248 1.00 1.40 H new ATOM 0 HA SER A 64 -12.748 9.480 -8.201 1.00 64.10 H new ATOM 0 HB2 SER A 64 -10.507 7.494 -7.639 1.00 34.32 H new ATOM 0 HB3 SER A 64 -10.281 9.196 -7.987 1.00 34.32 H new ATOM 0 HG SER A 64 -12.113 8.991 -6.023 1.00 51.41 H new ATOM 1031 N ARG A 65 -11.609 9.266 -10.504 1.00 52.12 N ATOM 1032 CA ARG A 65 -11.357 9.160 -11.934 1.00 4.22 C ATOM 1033 C ARG A 65 -10.138 8.276 -12.197 1.00 43.33 C ATOM 1034 O ARG A 65 -10.051 7.605 -13.228 1.00 10.15 O ATOM 1035 CB ARG A 65 -11.161 10.557 -12.531 1.00 64.01 C ATOM 1036 CG ARG A 65 -10.893 10.572 -14.027 1.00 32.34 C ATOM 1037 CD ARG A 65 -10.876 11.995 -14.567 1.00 31.21 C ATOM 1038 NE ARG A 65 -9.991 12.862 -13.790 1.00 43.13 N ATOM 1039 CZ ARG A 65 -10.154 14.182 -13.671 1.00 63.21 C ATOM 1040 NH1 ARG A 65 -11.118 14.807 -14.339 1.00 35.23 N ATOM 1041 NH2 ARG A 65 -9.334 14.887 -12.902 1.00 70.30 N ATOM 0 H ARG A 65 -11.423 10.189 -10.112 1.00 52.12 H new ATOM 0 HA ARG A 65 -12.218 8.695 -12.415 1.00 4.22 H new ATOM 0 HB2 ARG A 65 -12.051 11.153 -12.328 1.00 64.01 H new ATOM 0 HB3 ARG A 65 -10.329 11.043 -12.021 1.00 64.01 H new ATOM 0 HG2 ARG A 65 -9.937 10.090 -14.233 1.00 32.34 H new ATOM 0 HG3 ARG A 65 -11.659 9.993 -14.543 1.00 32.34 H new ATOM 0 HD2 ARG A 65 -10.552 11.985 -15.608 1.00 31.21 H new ATOM 0 HD3 ARG A 65 -11.887 12.401 -14.552 1.00 31.21 H new ATOM 0 HE ARG A 65 -9.201 12.432 -13.309 1.00 43.13 H new ATOM 0 HH11 ARG A 65 -11.741 14.278 -14.949 1.00 35.23 H new ATOM 0 HH12 ARG A 65 -11.235 15.816 -14.242 1.00 35.23 H new ATOM 0 HH21 ARG A 65 -8.578 14.421 -12.401 1.00 70.30 H new ATOM 0 HH22 ARG A 65 -9.460 15.895 -12.812 1.00 70.30 H new ATOM 1055 N LYS A 66 -9.207 8.265 -11.253 1.00 61.31 N ATOM 1056 CA LYS A 66 -8.027 7.430 -11.366 1.00 0.14 C ATOM 1057 C LYS A 66 -8.149 6.218 -10.452 1.00 50.12 C ATOM 1058 O LYS A 66 -8.447 6.354 -9.262 1.00 24.43 O ATOM 1059 CB LYS A 66 -6.766 8.235 -11.038 1.00 13.24 C ATOM 1060 CG LYS A 66 -5.487 7.411 -11.083 1.00 64.54 C ATOM 1061 CD LYS A 66 -4.239 8.283 -11.119 1.00 52.34 C ATOM 1062 CE LYS A 66 -3.921 8.784 -12.527 1.00 45.31 C ATOM 1063 NZ LYS A 66 -4.975 9.681 -13.073 1.00 15.04 N ATOM 0 H LYS A 66 -9.249 8.826 -10.402 1.00 61.31 H new ATOM 0 HA LYS A 66 -7.946 7.078 -12.394 1.00 0.14 H new ATOM 0 HB2 LYS A 66 -6.680 9.062 -11.742 1.00 13.24 H new ATOM 0 HB3 LYS A 66 -6.872 8.672 -10.045 1.00 13.24 H new ATOM 0 HG2 LYS A 66 -5.447 6.759 -10.211 1.00 64.54 H new ATOM 0 HG3 LYS A 66 -5.503 6.767 -11.962 1.00 64.54 H new ATOM 0 HD2 LYS A 66 -4.376 9.136 -10.455 1.00 52.34 H new ATOM 0 HD3 LYS A 66 -3.391 7.715 -10.738 1.00 52.34 H new ATOM 0 HE2 LYS A 66 -2.970 9.316 -12.512 1.00 45.31 H new ATOM 0 HE3 LYS A 66 -3.798 7.929 -13.192 1.00 45.31 H new ATOM 0 HZ1 LYS A 66 -4.589 10.225 -13.871 1.00 15.04 H new ATOM 0 HZ2 LYS A 66 -5.781 9.111 -13.400 1.00 15.04 H new ATOM 0 HZ3 LYS A 66 -5.293 10.335 -12.330 1.00 15.04 H new ATOM 1077 N VAL A 67 -7.921 5.039 -11.025 1.00 64.42 N ATOM 1078 CA VAL A 67 -8.048 3.774 -10.306 1.00 54.04 C ATOM 1079 C VAL A 67 -7.241 3.773 -9.010 1.00 24.03 C ATOM 1080 O VAL A 67 -7.753 3.404 -7.961 1.00 11.23 O ATOM 1081 CB VAL A 67 -7.626 2.578 -11.202 1.00 34.43 C ATOM 1082 CG1 VAL A 67 -6.310 2.854 -11.908 1.00 72.22 C ATOM 1083 CG2 VAL A 67 -7.523 1.293 -10.395 1.00 52.43 C ATOM 0 H VAL A 67 -7.643 4.934 -12.001 1.00 64.42 H new ATOM 0 HA VAL A 67 -9.100 3.661 -10.045 1.00 54.04 H new ATOM 0 HB VAL A 67 -8.403 2.452 -11.956 1.00 34.43 H new ATOM 0 HG11 VAL A 67 -6.043 1.998 -12.527 1.00 72.22 H new ATOM 0 HG12 VAL A 67 -6.413 3.738 -12.537 1.00 72.22 H new ATOM 0 HG13 VAL A 67 -5.529 3.024 -11.167 1.00 72.22 H new ATOM 0 HG21 VAL A 67 -7.226 0.474 -11.051 1.00 52.43 H new ATOM 0 HG22 VAL A 67 -6.779 1.416 -9.608 1.00 52.43 H new ATOM 0 HG23 VAL A 67 -8.490 1.066 -9.947 1.00 52.43 H new ATOM 1093 N ALA A 68 -5.992 4.208 -9.094 1.00 21.44 N ATOM 1094 CA ALA A 68 -5.095 4.237 -7.946 1.00 20.44 C ATOM 1095 C ALA A 68 -5.667 5.048 -6.778 1.00 23.05 C ATOM 1096 O ALA A 68 -5.549 4.639 -5.626 1.00 41.15 O ATOM 1097 CB ALA A 68 -3.746 4.795 -8.369 1.00 63.45 C ATOM 0 H ALA A 68 -5.572 4.550 -9.958 1.00 21.44 H new ATOM 0 HA ALA A 68 -4.977 3.213 -7.591 1.00 20.44 H new ATOM 0 HB1 ALA A 68 -3.076 4.816 -7.510 1.00 63.45 H new ATOM 0 HB2 ALA A 68 -3.319 4.163 -9.147 1.00 63.45 H new ATOM 0 HB3 ALA A 68 -3.875 5.807 -8.754 1.00 63.45 H new ATOM 1103 N ASN A 69 -6.298 6.184 -7.073 1.00 64.23 N ATOM 1104 CA ASN A 69 -6.848 7.037 -6.016 1.00 21.02 C ATOM 1105 C ASN A 69 -8.098 6.399 -5.429 1.00 74.14 C ATOM 1106 O ASN A 69 -8.257 6.314 -4.212 1.00 12.34 O ATOM 1107 CB ASN A 69 -7.186 8.436 -6.546 1.00 23.22 C ATOM 1108 CG ASN A 69 -7.432 9.434 -5.425 1.00 51.15 C ATOM 1109 OD1 ASN A 69 -6.498 10.059 -4.922 1.00 44.30 O ATOM 1110 ND2 ASN A 69 -8.688 9.605 -5.037 1.00 60.24 N ATOM 0 H ASN A 69 -6.441 6.533 -8.021 1.00 64.23 H new ATOM 0 HA ASN A 69 -6.089 7.139 -5.241 1.00 21.02 H new ATOM 0 HB2 ASN A 69 -6.369 8.792 -7.173 1.00 23.22 H new ATOM 0 HB3 ASN A 69 -8.072 8.378 -7.179 1.00 23.22 H new ATOM 0 HD21 ASN A 69 -8.907 10.273 -4.298 1.00 60.24 H new ATOM 0 HD22 ASN A 69 -9.435 9.069 -5.478 1.00 60.24 H new ATOM 1117 N ALA A 70 -8.972 5.945 -6.315 1.00 55.12 N ATOM 1118 CA ALA A 70 -10.208 5.273 -5.929 1.00 73.51 C ATOM 1119 C ALA A 70 -9.913 4.059 -5.057 1.00 50.23 C ATOM 1120 O ALA A 70 -10.516 3.856 -4.000 1.00 72.10 O ATOM 1121 CB ALA A 70 -10.953 4.847 -7.186 1.00 31.13 C ATOM 0 H ALA A 70 -8.846 6.031 -7.323 1.00 55.12 H new ATOM 0 HA ALA A 70 -10.824 5.961 -5.350 1.00 73.51 H new ATOM 0 HB1 ALA A 70 -11.879 4.344 -6.907 1.00 31.13 H new ATOM 0 HB2 ALA A 70 -11.185 5.726 -7.787 1.00 31.13 H new ATOM 0 HB3 ALA A 70 -10.330 4.166 -7.765 1.00 31.13 H new ATOM 1127 N LYS A 71 -8.956 3.278 -5.519 1.00 21.52 N ATOM 1128 CA LYS A 71 -8.526 2.062 -4.861 1.00 64.12 C ATOM 1129 C LYS A 71 -7.911 2.388 -3.505 1.00 53.11 C ATOM 1130 O LYS A 71 -8.103 1.664 -2.531 1.00 20.33 O ATOM 1131 CB LYS A 71 -7.506 1.405 -5.778 1.00 0.21 C ATOM 1132 CG LYS A 71 -7.231 -0.059 -5.533 1.00 75.12 C ATOM 1133 CD LYS A 71 -6.446 -0.630 -6.701 1.00 12.31 C ATOM 1134 CE LYS A 71 -5.211 0.201 -6.986 1.00 63.31 C ATOM 1135 NZ LYS A 71 -4.369 -0.399 -8.053 1.00 1.01 N ATOM 0 H LYS A 71 -8.446 3.476 -6.380 1.00 21.52 H new ATOM 0 HA LYS A 71 -9.365 1.391 -4.680 1.00 64.12 H new ATOM 0 HB2 LYS A 71 -7.846 1.522 -6.807 1.00 0.21 H new ATOM 0 HB3 LYS A 71 -6.566 1.949 -5.689 1.00 0.21 H new ATOM 0 HG2 LYS A 71 -6.669 -0.184 -4.608 1.00 75.12 H new ATOM 0 HG3 LYS A 71 -8.169 -0.601 -5.412 1.00 75.12 H new ATOM 0 HD2 LYS A 71 -6.154 -1.657 -6.480 1.00 12.31 H new ATOM 0 HD3 LYS A 71 -7.079 -0.662 -7.588 1.00 12.31 H new ATOM 0 HE2 LYS A 71 -5.511 1.206 -7.283 1.00 63.31 H new ATOM 0 HE3 LYS A 71 -4.623 0.301 -6.074 1.00 63.31 H new ATOM 0 HZ1 LYS A 71 -3.535 0.201 -8.216 1.00 1.01 H new ATOM 0 HZ2 LYS A 71 -4.060 -1.348 -7.759 1.00 1.01 H new ATOM 0 HZ3 LYS A 71 -4.921 -0.471 -8.932 1.00 1.01 H new ATOM 1149 N TYR A 72 -7.182 3.498 -3.465 1.00 12.42 N ATOM 1150 CA TYR A 72 -6.554 3.987 -2.243 1.00 53.23 C ATOM 1151 C TYR A 72 -7.598 4.243 -1.160 1.00 40.11 C ATOM 1152 O TYR A 72 -7.458 3.777 -0.026 1.00 44.41 O ATOM 1153 CB TYR A 72 -5.774 5.270 -2.562 1.00 61.23 C ATOM 1154 CG TYR A 72 -5.391 6.105 -1.362 1.00 22.15 C ATOM 1155 CD1 TYR A 72 -4.307 5.766 -0.564 1.00 4.15 C ATOM 1156 CD2 TYR A 72 -6.113 7.246 -1.041 1.00 2.34 C ATOM 1157 CE1 TYR A 72 -3.954 6.542 0.524 1.00 43.14 C ATOM 1158 CE2 TYR A 72 -5.767 8.026 0.040 1.00 73.10 C ATOM 1159 CZ TYR A 72 -4.689 7.672 0.819 1.00 74.11 C ATOM 1160 OH TYR A 72 -4.345 8.455 1.895 1.00 41.00 O ATOM 0 H TYR A 72 -7.010 4.085 -4.281 1.00 12.42 H new ATOM 0 HA TYR A 72 -5.867 3.231 -1.863 1.00 53.23 H new ATOM 0 HB2 TYR A 72 -4.866 5.000 -3.101 1.00 61.23 H new ATOM 0 HB3 TYR A 72 -6.374 5.883 -3.235 1.00 61.23 H new ATOM 0 HD1 TYR A 72 -3.731 4.883 -0.797 1.00 4.15 H new ATOM 0 HD2 TYR A 72 -6.960 7.527 -1.649 1.00 2.34 H new ATOM 0 HE1 TYR A 72 -3.110 6.266 1.138 1.00 43.14 H new ATOM 0 HE2 TYR A 72 -6.339 8.911 0.275 1.00 73.10 H new ATOM 0 HH TYR A 72 -4.964 9.212 1.960 1.00 41.00 H new ATOM 1170 N ILE A 73 -8.645 4.969 -1.527 1.00 40.31 N ATOM 1171 CA ILE A 73 -9.730 5.288 -0.607 1.00 21.20 C ATOM 1172 C ILE A 73 -10.379 4.013 -0.082 1.00 34.40 C ATOM 1173 O ILE A 73 -10.553 3.846 1.124 1.00 22.13 O ATOM 1174 CB ILE A 73 -10.795 6.155 -1.298 1.00 35.33 C ATOM 1175 CG1 ILE A 73 -10.137 7.400 -1.889 1.00 4.24 C ATOM 1176 CG2 ILE A 73 -11.890 6.546 -0.309 1.00 52.31 C ATOM 1177 CD1 ILE A 73 -10.948 8.062 -2.974 1.00 62.23 C ATOM 0 H ILE A 73 -8.767 5.352 -2.465 1.00 40.31 H new ATOM 0 HA ILE A 73 -9.305 5.845 0.228 1.00 21.20 H new ATOM 0 HB ILE A 73 -11.255 5.581 -2.102 1.00 35.33 H new ATOM 0 HG12 ILE A 73 -9.961 8.120 -1.090 1.00 4.24 H new ATOM 0 HG13 ILE A 73 -9.162 7.127 -2.293 1.00 4.24 H new ATOM 0 HG21 ILE A 73 -12.635 7.159 -0.815 1.00 52.31 H new ATOM 0 HG22 ILE A 73 -12.365 5.646 0.082 1.00 52.31 H new ATOM 0 HG23 ILE A 73 -11.452 7.112 0.513 1.00 52.31 H new ATOM 0 HD11 ILE A 73 -10.415 8.938 -3.343 1.00 62.23 H new ATOM 0 HD12 ILE A 73 -11.103 7.359 -3.793 1.00 62.23 H new ATOM 0 HD13 ILE A 73 -11.914 8.368 -2.571 1.00 62.23 H new ATOM 1189 N MET A 74 -10.722 3.120 -1.007 1.00 11.41 N ATOM 1190 CA MET A 74 -11.297 1.821 -0.669 1.00 74.41 C ATOM 1191 C MET A 74 -10.429 1.087 0.350 1.00 73.23 C ATOM 1192 O MET A 74 -10.902 0.679 1.416 1.00 34.23 O ATOM 1193 CB MET A 74 -11.433 0.972 -1.940 1.00 10.34 C ATOM 1194 CG MET A 74 -11.902 -0.450 -1.679 1.00 42.51 C ATOM 1195 SD MET A 74 -11.891 -1.480 -3.151 1.00 75.33 S ATOM 1196 CE MET A 74 -10.139 -1.809 -3.270 1.00 63.34 C ATOM 0 H MET A 74 -10.610 3.276 -2.009 1.00 11.41 H new ATOM 0 HA MET A 74 -12.280 1.984 -0.228 1.00 74.41 H new ATOM 0 HB2 MET A 74 -12.135 1.458 -2.617 1.00 10.34 H new ATOM 0 HB3 MET A 74 -10.470 0.940 -2.449 1.00 10.34 H new ATOM 0 HG2 MET A 74 -11.263 -0.903 -0.921 1.00 42.51 H new ATOM 0 HG3 MET A 74 -12.912 -0.423 -1.270 1.00 42.51 H new ATOM 0 HE1 MET A 74 -9.968 -2.615 -3.983 1.00 63.34 H new ATOM 0 HE2 MET A 74 -9.622 -0.910 -3.607 1.00 63.34 H new ATOM 0 HE3 MET A 74 -9.757 -2.102 -2.292 1.00 63.34 H new ATOM 1206 N LYS A 75 -9.155 0.947 0.022 1.00 13.32 N ATOM 1207 CA LYS A 75 -8.219 0.217 0.858 1.00 55.15 C ATOM 1208 C LYS A 75 -8.118 0.831 2.250 1.00 30.51 C ATOM 1209 O LYS A 75 -8.223 0.122 3.245 1.00 24.42 O ATOM 1210 CB LYS A 75 -6.854 0.174 0.181 1.00 31.11 C ATOM 1211 CG LYS A 75 -6.834 -0.743 -1.030 1.00 5.10 C ATOM 1212 CD LYS A 75 -5.620 -0.508 -1.906 1.00 54.10 C ATOM 1213 CE LYS A 75 -5.483 -1.605 -2.948 1.00 11.41 C ATOM 1214 NZ LYS A 75 -5.146 -2.915 -2.335 1.00 65.04 N ATOM 0 H LYS A 75 -8.743 1.334 -0.827 1.00 13.32 H new ATOM 0 HA LYS A 75 -8.587 -0.801 0.982 1.00 55.15 H new ATOM 0 HB2 LYS A 75 -6.572 1.181 -0.125 1.00 31.11 H new ATOM 0 HB3 LYS A 75 -6.106 -0.162 0.899 1.00 31.11 H new ATOM 0 HG2 LYS A 75 -6.845 -1.781 -0.698 1.00 5.10 H new ATOM 0 HG3 LYS A 75 -7.739 -0.587 -1.617 1.00 5.10 H new ATOM 0 HD2 LYS A 75 -5.705 0.460 -2.400 1.00 54.10 H new ATOM 0 HD3 LYS A 75 -4.722 -0.473 -1.289 1.00 54.10 H new ATOM 0 HE2 LYS A 75 -6.416 -1.695 -3.505 1.00 11.41 H new ATOM 0 HE3 LYS A 75 -4.709 -1.330 -3.664 1.00 11.41 H new ATOM 0 HZ1 LYS A 75 -4.767 -3.552 -3.064 1.00 65.04 H new ATOM 0 HZ2 LYS A 75 -4.433 -2.777 -1.591 1.00 65.04 H new ATOM 0 HZ3 LYS A 75 -6.002 -3.335 -1.920 1.00 65.04 H new ATOM 1228 N GLN A 76 -7.948 2.148 2.311 1.00 34.33 N ATOM 1229 CA GLN A 76 -7.828 2.854 3.589 1.00 62.04 C ATOM 1230 C GLN A 76 -9.067 2.660 4.462 1.00 31.11 C ATOM 1231 O GLN A 76 -8.989 2.764 5.688 1.00 14.13 O ATOM 1232 CB GLN A 76 -7.595 4.345 3.354 1.00 71.33 C ATOM 1233 CG GLN A 76 -6.201 4.679 2.847 1.00 4.03 C ATOM 1234 CD GLN A 76 -5.122 4.413 3.881 1.00 51.31 C ATOM 1235 OE1 GLN A 76 -5.356 4.517 5.085 1.00 12.41 O ATOM 1236 NE2 GLN A 76 -3.930 4.074 3.418 1.00 71.52 N ATOM 0 H GLN A 76 -7.890 2.752 1.491 1.00 34.33 H new ATOM 0 HA GLN A 76 -6.973 2.430 4.115 1.00 62.04 H new ATOM 0 HB2 GLN A 76 -8.329 4.708 2.635 1.00 71.33 H new ATOM 0 HB3 GLN A 76 -7.770 4.881 4.287 1.00 71.33 H new ATOM 0 HG2 GLN A 76 -5.994 4.092 1.952 1.00 4.03 H new ATOM 0 HG3 GLN A 76 -6.167 5.728 2.554 1.00 4.03 H new ATOM 0 HE21 GLN A 76 -3.776 3.998 2.413 1.00 71.52 H new ATOM 0 HE22 GLN A 76 -3.165 3.888 4.067 1.00 71.52 H new ATOM 1245 N ARG A 77 -10.208 2.392 3.830 1.00 32.34 N ATOM 1246 CA ARG A 77 -11.443 2.142 4.562 1.00 31.41 C ATOM 1247 C ARG A 77 -11.322 0.893 5.423 1.00 4.05 C ATOM 1248 O ARG A 77 -11.338 0.979 6.650 1.00 12.32 O ATOM 1249 CB ARG A 77 -12.631 1.996 3.611 1.00 11.22 C ATOM 1250 CG ARG A 77 -13.006 3.270 2.871 1.00 60.15 C ATOM 1251 CD ARG A 77 -13.648 4.303 3.790 1.00 15.32 C ATOM 1252 NE ARG A 77 -12.715 4.828 4.784 1.00 65.21 N ATOM 1253 CZ ARG A 77 -12.985 4.935 6.087 1.00 24.41 C ATOM 1254 NH1 ARG A 77 -14.164 4.547 6.562 1.00 1.33 N ATOM 1255 NH2 ARG A 77 -12.068 5.415 6.916 1.00 33.41 N ATOM 0 H ARG A 77 -10.301 2.343 2.815 1.00 32.34 H new ATOM 0 HA ARG A 77 -11.616 3.003 5.208 1.00 31.41 H new ATOM 0 HB2 ARG A 77 -12.402 1.220 2.880 1.00 11.22 H new ATOM 0 HB3 ARG A 77 -13.495 1.653 4.180 1.00 11.22 H new ATOM 0 HG2 ARG A 77 -12.114 3.698 2.413 1.00 60.15 H new ATOM 0 HG3 ARG A 77 -13.695 3.028 2.062 1.00 60.15 H new ATOM 0 HD2 ARG A 77 -14.035 5.127 3.190 1.00 15.32 H new ATOM 0 HD3 ARG A 77 -14.499 3.852 4.299 1.00 15.32 H new ATOM 0 HE ARG A 77 -11.797 5.133 4.461 1.00 65.21 H new ATOM 0 HH11 ARG A 77 -14.868 4.165 5.930 1.00 1.33 H new ATOM 0 HH12 ARG A 77 -14.365 4.631 7.558 1.00 1.33 H new ATOM 0 HH21 ARG A 77 -11.157 5.702 6.558 1.00 33.41 H new ATOM 0 HH22 ARG A 77 -12.274 5.497 7.912 1.00 33.41 H new ATOM 1269 N LEU A 78 -11.188 -0.271 4.788 1.00 5.25 N ATOM 1270 CA LEU A 78 -11.107 -1.516 5.556 1.00 51.21 C ATOM 1271 C LEU A 78 -9.807 -1.578 6.338 1.00 31.41 C ATOM 1272 O LEU A 78 -9.765 -2.145 7.428 1.00 71.20 O ATOM 1273 CB LEU A 78 -11.212 -2.766 4.682 1.00 43.43 C ATOM 1274 CG LEU A 78 -11.878 -2.586 3.327 1.00 12.41 C ATOM 1275 CD1 LEU A 78 -10.839 -2.273 2.261 1.00 13.12 C ATOM 1276 CD2 LEU A 78 -12.646 -3.835 2.962 1.00 3.11 C ATOM 0 H LEU A 78 -11.134 -0.380 3.775 1.00 5.25 H new ATOM 0 HA LEU A 78 -11.961 -1.506 6.233 1.00 51.21 H new ATOM 0 HB2 LEU A 78 -10.207 -3.156 4.520 1.00 43.43 H new ATOM 0 HB3 LEU A 78 -11.763 -3.526 5.236 1.00 43.43 H new ATOM 0 HG LEU A 78 -12.573 -1.748 3.385 1.00 12.41 H new ATOM 0 HD11 LEU A 78 -11.333 -2.147 1.297 1.00 13.12 H new ATOM 0 HD12 LEU A 78 -10.315 -1.354 2.523 1.00 13.12 H new ATOM 0 HD13 LEU A 78 -10.124 -3.093 2.198 1.00 13.12 H new ATOM 0 HD21 LEU A 78 -13.121 -3.699 1.990 1.00 3.11 H new ATOM 0 HD22 LEU A 78 -11.962 -4.682 2.917 1.00 3.11 H new ATOM 0 HD23 LEU A 78 -13.410 -4.026 3.716 1.00 3.11 H new ATOM 1288 N LEU A 79 -8.750 -0.998 5.771 1.00 42.44 N ATOM 1289 CA LEU A 79 -7.446 -0.949 6.423 1.00 71.35 C ATOM 1290 C LEU A 79 -7.607 -0.413 7.834 1.00 44.10 C ATOM 1291 O LEU A 79 -7.138 -1.010 8.797 1.00 23.23 O ATOM 1292 CB LEU A 79 -6.482 -0.073 5.598 1.00 22.23 C ATOM 1293 CG LEU A 79 -5.023 0.007 6.069 1.00 23.12 C ATOM 1294 CD1 LEU A 79 -4.857 1.065 7.149 1.00 64.24 C ATOM 1295 CD2 LEU A 79 -4.534 -1.351 6.555 1.00 45.35 C ATOM 0 H LEU A 79 -8.774 -0.553 4.854 1.00 42.44 H new ATOM 0 HA LEU A 79 -7.023 -1.952 6.482 1.00 71.35 H new ATOM 0 HB2 LEU A 79 -6.485 -0.442 4.572 1.00 22.23 H new ATOM 0 HB3 LEU A 79 -6.884 0.940 5.574 1.00 22.23 H new ATOM 0 HG LEU A 79 -4.410 0.300 5.217 1.00 23.12 H new ATOM 0 HD11 LEU A 79 -3.815 1.102 7.465 1.00 64.24 H new ATOM 0 HD12 LEU A 79 -5.151 2.037 6.754 1.00 64.24 H new ATOM 0 HD13 LEU A 79 -5.487 0.815 8.003 1.00 64.24 H new ATOM 0 HD21 LEU A 79 -3.498 -1.268 6.883 1.00 45.35 H new ATOM 0 HD22 LEU A 79 -5.153 -1.684 7.388 1.00 45.35 H new ATOM 0 HD23 LEU A 79 -4.600 -2.074 5.742 1.00 45.35 H new ATOM 1307 N LYS A 80 -8.326 0.686 7.952 1.00 1.12 N ATOM 1308 CA LYS A 80 -8.563 1.297 9.242 1.00 52.53 C ATOM 1309 C LYS A 80 -9.429 0.412 10.118 1.00 32.03 C ATOM 1310 O LYS A 80 -9.243 0.357 11.328 1.00 10.11 O ATOM 1311 CB LYS A 80 -9.207 2.666 9.072 1.00 34.22 C ATOM 1312 CG LYS A 80 -8.193 3.786 8.973 1.00 52.11 C ATOM 1313 CD LYS A 80 -7.338 3.858 10.226 1.00 64.43 C ATOM 1314 CE LYS A 80 -8.193 3.969 11.480 1.00 32.02 C ATOM 1315 NZ LYS A 80 -7.359 4.159 12.694 1.00 72.52 N ATOM 0 H LYS A 80 -8.757 1.174 7.167 1.00 1.12 H new ATOM 0 HA LYS A 80 -7.599 1.421 9.736 1.00 52.53 H new ATOM 0 HB2 LYS A 80 -9.825 2.662 8.174 1.00 34.22 H new ATOM 0 HB3 LYS A 80 -9.871 2.857 9.915 1.00 34.22 H new ATOM 0 HG2 LYS A 80 -7.556 3.629 8.102 1.00 52.11 H new ATOM 0 HG3 LYS A 80 -8.708 4.735 8.824 1.00 52.11 H new ATOM 0 HD2 LYS A 80 -6.710 2.970 10.290 1.00 64.43 H new ATOM 0 HD3 LYS A 80 -6.670 4.717 10.163 1.00 64.43 H new ATOM 0 HE2 LYS A 80 -8.884 4.806 11.377 1.00 32.02 H new ATOM 0 HE3 LYS A 80 -8.797 3.069 11.590 1.00 32.02 H new ATOM 0 HZ1 LYS A 80 -7.974 4.231 13.530 1.00 72.52 H new ATOM 0 HZ2 LYS A 80 -6.717 3.348 12.805 1.00 72.52 H new ATOM 0 HZ3 LYS A 80 -6.801 5.031 12.599 1.00 72.52 H new ATOM 1329 N LEU A 81 -10.352 -0.296 9.500 1.00 53.34 N ATOM 1330 CA LEU A 81 -11.274 -1.142 10.228 1.00 34.13 C ATOM 1331 C LEU A 81 -10.571 -2.343 10.857 1.00 15.25 C ATOM 1332 O LEU A 81 -10.932 -2.767 11.944 1.00 14.51 O ATOM 1333 CB LEU A 81 -12.403 -1.599 9.302 1.00 12.22 C ATOM 1334 CG LEU A 81 -13.648 -0.703 9.285 1.00 62.14 C ATOM 1335 CD1 LEU A 81 -13.283 0.767 9.238 1.00 1.14 C ATOM 1336 CD2 LEU A 81 -14.537 -1.050 8.106 1.00 45.03 C ATOM 0 H LEU A 81 -10.483 -0.302 8.489 1.00 53.34 H new ATOM 0 HA LEU A 81 -11.695 -0.555 11.044 1.00 34.13 H new ATOM 0 HB2 LEU A 81 -12.012 -1.666 8.287 1.00 12.22 H new ATOM 0 HB3 LEU A 81 -12.705 -2.605 9.595 1.00 12.22 H new ATOM 0 HG LEU A 81 -14.191 -0.886 10.212 1.00 62.14 H new ATOM 0 HD11 LEU A 81 -14.193 1.368 9.227 1.00 1.14 H new ATOM 0 HD12 LEU A 81 -12.690 1.023 10.116 1.00 1.14 H new ATOM 0 HD13 LEU A 81 -12.704 0.969 8.337 1.00 1.14 H new ATOM 0 HD21 LEU A 81 -15.415 -0.404 8.110 1.00 45.03 H new ATOM 0 HD22 LEU A 81 -13.984 -0.904 7.178 1.00 45.03 H new ATOM 0 HD23 LEU A 81 -14.852 -2.091 8.181 1.00 45.03 H new ATOM 1348 N LEU A 82 -9.565 -2.886 10.186 1.00 1.50 N ATOM 1349 CA LEU A 82 -8.833 -4.028 10.728 1.00 11.14 C ATOM 1350 C LEU A 82 -7.684 -3.580 11.631 1.00 33.21 C ATOM 1351 O LEU A 82 -7.215 -4.346 12.474 1.00 12.15 O ATOM 1352 CB LEU A 82 -8.330 -4.938 9.602 1.00 61.53 C ATOM 1353 CG LEU A 82 -7.632 -4.238 8.438 1.00 11.23 C ATOM 1354 CD1 LEU A 82 -6.121 -4.399 8.516 1.00 53.03 C ATOM 1355 CD2 LEU A 82 -8.156 -4.779 7.124 1.00 21.13 C ATOM 0 H LEU A 82 -9.238 -2.561 9.276 1.00 1.50 H new ATOM 0 HA LEU A 82 -9.525 -4.603 11.343 1.00 11.14 H new ATOM 0 HB2 LEU A 82 -7.639 -5.665 10.030 1.00 61.53 H new ATOM 0 HB3 LEU A 82 -9.178 -5.498 9.208 1.00 61.53 H new ATOM 0 HG LEU A 82 -7.852 -3.172 8.501 1.00 11.23 H new ATOM 0 HD11 LEU A 82 -5.657 -3.889 7.672 1.00 53.03 H new ATOM 0 HD12 LEU A 82 -5.757 -3.966 9.447 1.00 53.03 H new ATOM 0 HD13 LEU A 82 -5.866 -5.458 8.484 1.00 53.03 H new ATOM 0 HD21 LEU A 82 -7.654 -4.276 6.297 1.00 21.13 H new ATOM 0 HD22 LEU A 82 -7.962 -5.850 7.068 1.00 21.13 H new ATOM 0 HD23 LEU A 82 -9.229 -4.601 7.059 1.00 21.13 H new ATOM 1367 N GLU A 83 -7.241 -2.342 11.456 1.00 60.11 N ATOM 1368 CA GLU A 83 -6.215 -1.764 12.320 1.00 62.52 C ATOM 1369 C GLU A 83 -6.833 -1.266 13.629 1.00 33.02 C ATOM 1370 O GLU A 83 -6.346 -1.565 14.721 1.00 43.50 O ATOM 1371 CB GLU A 83 -5.514 -0.608 11.602 1.00 2.43 C ATOM 1372 CG GLU A 83 -4.651 -1.034 10.423 1.00 51.12 C ATOM 1373 CD GLU A 83 -3.312 -1.596 10.841 1.00 20.32 C ATOM 1374 OE1 GLU A 83 -2.492 -0.825 11.380 1.00 21.12 O ATOM 1375 OE2 GLU A 83 -3.054 -2.797 10.610 1.00 73.24 O ATOM 0 H GLU A 83 -7.575 -1.716 10.723 1.00 60.11 H new ATOM 0 HA GLU A 83 -5.483 -2.537 12.552 1.00 62.52 H new ATOM 0 HB2 GLU A 83 -6.268 0.096 11.250 1.00 2.43 H new ATOM 0 HB3 GLU A 83 -4.891 -0.075 12.320 1.00 2.43 H new ATOM 0 HG2 GLU A 83 -5.187 -1.783 9.840 1.00 51.12 H new ATOM 0 HG3 GLU A 83 -4.490 -0.177 9.769 1.00 51.12 H new ATOM 1382 N ASP A 84 -7.916 -0.509 13.502 1.00 24.20 N ATOM 1383 CA ASP A 84 -8.633 0.035 14.654 1.00 20.33 C ATOM 1384 C ASP A 84 -9.518 -1.032 15.275 1.00 10.14 C ATOM 1385 O ASP A 84 -9.885 -0.943 16.449 1.00 43.01 O ATOM 1386 CB ASP A 84 -9.489 1.234 14.228 1.00 5.11 C ATOM 1387 CG ASP A 84 -10.402 1.741 15.331 1.00 14.41 C ATOM 1388 OD1 ASP A 84 -9.972 2.618 16.110 1.00 74.35 O ATOM 1389 OD2 ASP A 84 -11.562 1.280 15.408 1.00 72.24 O ATOM 0 H ASP A 84 -8.323 -0.254 12.602 1.00 24.20 H new ATOM 0 HA ASP A 84 -7.902 0.364 15.393 1.00 20.33 H new ATOM 0 HB2 ASP A 84 -8.834 2.044 13.907 1.00 5.11 H new ATOM 0 HB3 ASP A 84 -10.094 0.952 13.366 1.00 5.11 H new ATOM 1394 N LYS A 85 -9.828 -2.049 14.471 1.00 32.54 N ATOM 1395 CA LYS A 85 -10.700 -3.147 14.874 1.00 25.43 C ATOM 1396 C LYS A 85 -12.150 -2.688 14.955 1.00 2.15 C ATOM 1397 O LYS A 85 -12.907 -3.112 15.829 1.00 12.51 O ATOM 1398 CB LYS A 85 -10.230 -3.750 16.195 1.00 10.12 C ATOM 1399 CG LYS A 85 -8.833 -4.338 16.104 1.00 40.40 C ATOM 1400 CD LYS A 85 -8.807 -5.567 15.212 1.00 22.30 C ATOM 1401 CE LYS A 85 -9.678 -6.680 15.774 1.00 24.24 C ATOM 1402 NZ LYS A 85 -9.251 -7.081 17.138 1.00 72.00 N ATOM 0 H LYS A 85 -9.478 -2.133 13.517 1.00 32.54 H new ATOM 0 HA LYS A 85 -10.645 -3.926 14.114 1.00 25.43 H new ATOM 0 HB2 LYS A 85 -10.247 -2.981 16.968 1.00 10.12 H new ATOM 0 HB3 LYS A 85 -10.928 -4.528 16.504 1.00 10.12 H new ATOM 0 HG2 LYS A 85 -8.146 -3.588 15.713 1.00 40.40 H new ATOM 0 HG3 LYS A 85 -8.482 -4.603 17.101 1.00 40.40 H new ATOM 0 HD2 LYS A 85 -9.154 -5.301 14.213 1.00 22.30 H new ATOM 0 HD3 LYS A 85 -7.782 -5.922 15.109 1.00 22.30 H new ATOM 0 HE2 LYS A 85 -10.716 -6.350 15.801 1.00 24.24 H new ATOM 0 HE3 LYS A 85 -9.635 -7.544 15.111 1.00 24.24 H new ATOM 0 HZ1 LYS A 85 -9.702 -7.983 17.392 1.00 72.00 H new ATOM 0 HZ2 LYS A 85 -8.217 -7.192 17.160 1.00 72.00 H new ATOM 0 HZ3 LYS A 85 -9.535 -6.349 17.820 1.00 72.00 H new ATOM 1416 N SER A 86 -12.529 -1.841 14.007 1.00 33.00 N ATOM 1417 CA SER A 86 -13.895 -1.374 13.886 1.00 14.20 C ATOM 1418 C SER A 86 -14.786 -2.510 13.381 1.00 4.43 C ATOM 1419 O SER A 86 -14.494 -3.130 12.354 1.00 61.20 O ATOM 1420 CB SER A 86 -13.952 -0.192 12.917 1.00 31.41 C ATOM 1421 OG SER A 86 -12.922 0.745 13.186 1.00 60.13 O ATOM 0 H SER A 86 -11.896 -1.461 13.303 1.00 33.00 H new ATOM 0 HA SER A 86 -14.254 -1.050 14.863 1.00 14.20 H new ATOM 0 HB2 SER A 86 -13.859 -0.554 11.893 1.00 31.41 H new ATOM 0 HB3 SER A 86 -14.922 0.299 12.995 1.00 31.41 H new ATOM 0 HG SER A 86 -12.648 0.670 14.124 1.00 60.13 H new ATOM 1427 N ASN A 87 -15.881 -2.766 14.086 1.00 30.33 N ATOM 1428 CA ASN A 87 -16.762 -3.896 13.775 1.00 74.31 C ATOM 1429 C ASN A 87 -17.491 -3.723 12.445 1.00 74.14 C ATOM 1430 O ASN A 87 -18.270 -4.584 12.048 1.00 51.50 O ATOM 1431 CB ASN A 87 -17.792 -4.109 14.889 1.00 74.53 C ATOM 1432 CG ASN A 87 -18.746 -2.937 15.062 1.00 3.11 C ATOM 1433 OD1 ASN A 87 -19.780 -2.856 14.399 1.00 63.13 O ATOM 1434 ND2 ASN A 87 -18.416 -2.033 15.972 1.00 50.32 N ATOM 0 H ASN A 87 -16.185 -2.206 14.882 1.00 30.33 H new ATOM 0 HA ASN A 87 -16.117 -4.771 13.695 1.00 74.31 H new ATOM 0 HB2 ASN A 87 -18.369 -5.008 14.673 1.00 74.53 H new ATOM 0 HB3 ASN A 87 -17.269 -4.284 15.829 1.00 74.53 H new ATOM 0 HD21 ASN A 87 -19.028 -1.235 16.143 1.00 50.32 H new ATOM 0 HD22 ASN A 87 -17.550 -2.135 16.502 1.00 50.32 H new ATOM 1441 N LEU A 88 -17.228 -2.629 11.752 1.00 43.44 N ATOM 1442 CA LEU A 88 -17.892 -2.362 10.484 1.00 45.20 C ATOM 1443 C LEU A 88 -17.469 -3.373 9.423 1.00 61.13 C ATOM 1444 O LEU A 88 -18.290 -3.835 8.632 1.00 13.10 O ATOM 1445 CB LEU A 88 -17.623 -0.931 10.004 1.00 52.33 C ATOM 1446 CG LEU A 88 -18.256 0.177 10.855 1.00 10.23 C ATOM 1447 CD1 LEU A 88 -19.680 -0.193 11.241 1.00 43.41 C ATOM 1448 CD2 LEU A 88 -17.419 0.472 12.093 1.00 52.54 C ATOM 0 H LEU A 88 -16.563 -1.913 12.043 1.00 43.44 H new ATOM 0 HA LEU A 88 -18.965 -2.465 10.647 1.00 45.20 H new ATOM 0 HB2 LEU A 88 -16.545 -0.772 9.974 1.00 52.33 H new ATOM 0 HB3 LEU A 88 -17.988 -0.834 8.981 1.00 52.33 H new ATOM 0 HG LEU A 88 -18.287 1.085 10.253 1.00 10.23 H new ATOM 0 HD11 LEU A 88 -20.112 0.605 11.844 1.00 43.41 H new ATOM 0 HD12 LEU A 88 -20.277 -0.331 10.340 1.00 43.41 H new ATOM 0 HD13 LEU A 88 -19.672 -1.119 11.816 1.00 43.41 H new ATOM 0 HD21 LEU A 88 -17.895 1.262 12.674 1.00 52.54 H new ATOM 0 HD22 LEU A 88 -17.339 -0.429 12.701 1.00 52.54 H new ATOM 0 HD23 LEU A 88 -16.423 0.795 11.790 1.00 52.54 H new ATOM 1460 N LEU A 89 -16.191 -3.730 9.413 1.00 2.12 N ATOM 1461 CA LEU A 89 -15.716 -4.767 8.504 1.00 31.34 C ATOM 1462 C LEU A 89 -15.700 -6.125 9.195 1.00 22.23 C ATOM 1463 O LEU A 89 -15.714 -7.165 8.545 1.00 4.14 O ATOM 1464 CB LEU A 89 -14.312 -4.438 7.990 1.00 53.12 C ATOM 1465 CG LEU A 89 -13.591 -5.596 7.306 1.00 72.44 C ATOM 1466 CD1 LEU A 89 -14.127 -5.828 5.907 1.00 63.32 C ATOM 1467 CD2 LEU A 89 -12.098 -5.344 7.288 1.00 72.24 C ATOM 0 H LEU A 89 -15.474 -3.324 10.014 1.00 2.12 H new ATOM 0 HA LEU A 89 -16.403 -4.807 7.659 1.00 31.34 H new ATOM 0 HB2 LEU A 89 -14.383 -3.608 7.287 1.00 53.12 H new ATOM 0 HB3 LEU A 89 -13.705 -4.095 8.828 1.00 53.12 H new ATOM 0 HG LEU A 89 -13.779 -6.504 7.878 1.00 72.44 H new ATOM 0 HD11 LEU A 89 -13.593 -6.659 5.446 1.00 63.32 H new ATOM 0 HD12 LEU A 89 -15.190 -6.064 5.959 1.00 63.32 H new ATOM 0 HD13 LEU A 89 -13.984 -4.928 5.309 1.00 63.32 H new ATOM 0 HD21 LEU A 89 -11.594 -6.177 6.798 1.00 72.24 H new ATOM 0 HD22 LEU A 89 -11.891 -4.423 6.743 1.00 72.24 H new ATOM 0 HD23 LEU A 89 -11.732 -5.250 8.311 1.00 72.24 H new ATOM 1479 N LEU A 90 -15.703 -6.102 10.513 1.00 15.13 N ATOM 1480 CA LEU A 90 -15.403 -7.292 11.302 1.00 64.11 C ATOM 1481 C LEU A 90 -16.610 -7.830 12.076 1.00 40.33 C ATOM 1482 O LEU A 90 -16.439 -8.616 13.007 1.00 22.25 O ATOM 1483 CB LEU A 90 -14.288 -6.945 12.284 1.00 3.32 C ATOM 1484 CG LEU A 90 -13.104 -6.200 11.667 1.00 20.41 C ATOM 1485 CD1 LEU A 90 -12.298 -5.510 12.745 1.00 53.24 C ATOM 1486 CD2 LEU A 90 -12.225 -7.145 10.871 1.00 62.22 C ATOM 0 H LEU A 90 -15.910 -5.271 11.067 1.00 15.13 H new ATOM 0 HA LEU A 90 -15.104 -8.079 10.610 1.00 64.11 H new ATOM 0 HB2 LEU A 90 -14.705 -6.336 13.086 1.00 3.32 H new ATOM 0 HB3 LEU A 90 -13.923 -7.866 12.739 1.00 3.32 H new ATOM 0 HG LEU A 90 -13.494 -5.445 10.985 1.00 20.41 H new ATOM 0 HD11 LEU A 90 -11.458 -4.984 12.291 1.00 53.24 H new ATOM 0 HD12 LEU A 90 -12.931 -4.796 13.272 1.00 53.24 H new ATOM 0 HD13 LEU A 90 -11.923 -6.252 13.450 1.00 53.24 H new ATOM 0 HD21 LEU A 90 -11.390 -6.591 10.442 1.00 62.22 H new ATOM 0 HD22 LEU A 90 -11.843 -7.927 11.528 1.00 62.22 H new ATOM 0 HD23 LEU A 90 -12.809 -7.598 10.070 1.00 62.22 H new ATOM 1498 N TYR A 91 -17.823 -7.432 11.702 1.00 41.11 N ATOM 1499 CA TYR A 91 -19.012 -7.886 12.425 1.00 64.04 C ATOM 1500 C TYR A 91 -19.225 -9.391 12.274 1.00 13.13 C ATOM 1501 O TYR A 91 -18.682 -10.026 11.359 1.00 12.12 O ATOM 1502 CB TYR A 91 -20.266 -7.136 11.958 1.00 75.50 C ATOM 1503 CG TYR A 91 -20.669 -7.407 10.526 1.00 31.02 C ATOM 1504 CD1 TYR A 91 -21.316 -8.590 10.169 1.00 30.05 C ATOM 1505 CD2 TYR A 91 -20.415 -6.474 9.532 1.00 74.32 C ATOM 1506 CE1 TYR A 91 -21.692 -8.827 8.865 1.00 13.21 C ATOM 1507 CE2 TYR A 91 -20.793 -6.703 8.225 1.00 64.31 C ATOM 1508 CZ TYR A 91 -21.432 -7.882 7.896 1.00 54.30 C ATOM 1509 OH TYR A 91 -21.816 -8.116 6.596 1.00 74.34 O ATOM 0 H TYR A 91 -18.010 -6.808 10.917 1.00 41.11 H new ATOM 0 HA TYR A 91 -18.842 -7.667 13.479 1.00 64.04 H new ATOM 0 HB2 TYR A 91 -21.097 -7.403 12.611 1.00 75.50 H new ATOM 0 HB3 TYR A 91 -20.098 -6.066 12.077 1.00 75.50 H new ATOM 0 HD1 TYR A 91 -21.525 -9.331 10.926 1.00 30.05 H new ATOM 0 HD2 TYR A 91 -19.913 -5.552 9.785 1.00 74.32 H new ATOM 0 HE1 TYR A 91 -22.189 -9.750 8.603 1.00 13.21 H new ATOM 0 HE2 TYR A 91 -20.590 -5.964 7.464 1.00 64.31 H new ATOM 0 HH TYR A 91 -21.561 -7.353 6.037 1.00 74.34 H new ATOM 1519 N SER A 92 -20.033 -9.948 13.164 1.00 13.11 N ATOM 1520 CA SER A 92 -20.329 -11.370 13.147 1.00 54.15 C ATOM 1521 C SER A 92 -21.524 -11.680 12.241 1.00 51.13 C ATOM 1522 O SER A 92 -22.457 -10.886 12.115 1.00 50.43 O ATOM 1523 CB SER A 92 -20.598 -11.862 14.568 1.00 72.23 C ATOM 1524 OG SER A 92 -19.516 -11.535 15.423 1.00 71.14 O ATOM 0 H SER A 92 -20.497 -9.432 13.911 1.00 13.11 H new ATOM 0 HA SER A 92 -19.462 -11.893 12.744 1.00 54.15 H new ATOM 0 HB2 SER A 92 -21.516 -11.413 14.946 1.00 72.23 H new ATOM 0 HB3 SER A 92 -20.750 -12.941 14.562 1.00 72.23 H new ATOM 0 HG SER A 92 -19.706 -11.856 16.329 1.00 71.14 H new ATOM 1530 N CYS A 93 -21.467 -12.834 11.598 1.00 51.41 N ATOM 1531 CA CYS A 93 -22.523 -13.299 10.705 1.00 63.45 C ATOM 1532 C CYS A 93 -22.543 -14.818 10.709 1.00 53.14 C ATOM 1533 O CYS A 93 -21.546 -15.441 11.079 1.00 42.21 O ATOM 1534 CB CYS A 93 -22.240 -12.851 9.290 1.00 72.53 C ATOM 1535 SG CYS A 93 -20.928 -13.842 8.516 1.00 74.41 S ATOM 0 H CYS A 93 -20.683 -13.481 11.679 1.00 51.41 H new ATOM 0 HA CYS A 93 -23.475 -12.891 11.046 1.00 63.45 H new ATOM 0 HB2 CYS A 93 -23.151 -12.927 8.696 1.00 72.53 H new ATOM 0 HB3 CYS A 93 -21.948 -11.801 9.293 1.00 72.53 H new ATOM 0 HG CYS A 93 -21.379 -14.382 7.423 1.00 74.41 H new ATOM 1540 N ASN A 94 -23.637 -15.414 10.257 1.00 33.43 N ATOM 1541 CA ASN A 94 -23.727 -16.866 10.175 1.00 5.44 C ATOM 1542 C ASN A 94 -23.601 -17.348 8.731 1.00 1.11 C ATOM 1543 O ASN A 94 -24.593 -17.730 8.110 1.00 24.02 O ATOM 1544 CB ASN A 94 -25.055 -17.359 10.771 1.00 2.51 C ATOM 1545 CG ASN A 94 -25.067 -18.856 11.046 1.00 63.42 C ATOM 1546 OD1 ASN A 94 -24.772 -19.296 12.158 1.00 53.24 O ATOM 1547 ND2 ASN A 94 -25.403 -19.651 10.041 1.00 10.12 N ATOM 0 H ASN A 94 -24.471 -14.918 9.943 1.00 33.43 H new ATOM 0 HA ASN A 94 -22.900 -17.280 10.751 1.00 5.44 H new ATOM 0 HB2 ASN A 94 -25.250 -16.823 11.700 1.00 2.51 H new ATOM 0 HB3 ASN A 94 -25.867 -17.115 10.086 1.00 2.51 H new ATOM 0 HD21 ASN A 94 -25.423 -20.662 10.175 1.00 10.12 H new ATOM 0 HD22 ASN A 94 -25.642 -19.252 9.133 1.00 10.12 H new ATOM 1554 N CYS A 95 -22.395 -17.293 8.170 1.00 63.11 N ATOM 1555 CA CYS A 95 -22.157 -17.920 6.874 1.00 62.23 C ATOM 1556 C CYS A 95 -21.931 -19.414 7.050 1.00 21.24 C ATOM 1557 O CYS A 95 -22.500 -20.232 6.328 1.00 0.41 O ATOM 1558 CB CYS A 95 -20.983 -17.276 6.145 1.00 73.14 C ATOM 1559 SG CYS A 95 -21.439 -15.765 5.243 1.00 33.31 S ATOM 0 H CYS A 95 -21.584 -16.831 8.582 1.00 63.11 H new ATOM 0 HA CYS A 95 -23.043 -17.768 6.258 1.00 62.23 H new ATOM 0 HB2 CYS A 95 -20.202 -17.038 6.867 1.00 73.14 H new ATOM 0 HB3 CYS A 95 -20.560 -17.996 5.444 1.00 73.14 H new ATOM 0 HG CYS A 95 -20.956 -15.817 4.037 1.00 33.31 H new