USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 693 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 97 ASN :FLIP amide:sc= 0.662 F(o=-0.054,f=1.4) USER MOD Set 1.2: A 101 GLN :FLIP amide:sc= 0.746 F(o=-0.05,f=1.4) USER MOD Set 2.1: A 84 ASN : amide:sc= -0.193 K(o=-0.22,f=-0.95) USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= -0.0219 USER MOD Set 3.1: A 8 LYS NZ :NH3+ 137:sc= 1.38 (180deg=-0.629) USER MOD Set 3.2: A 69 TYR OH : rot 42:sc= 0.607 USER MOD Set 4.1: A 24 HIS : no HD1:sc=-0.00681 X(o=-0.0068,f=0) USER MOD Set 4.2: A 50 TYR OH : rot 30:sc= 0 USER MOD Set 5.1: A 9 HIS : no HE2:sc= -0.784 X(o=-0.44,f=-0.017) USER MOD Set 5.2: A 22 SER OG : rot 167:sc= 0.348 USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-0.82!) USER MOD Single : A 25 ASN : amide:sc= -0.102 K(o=-0.1,f=-3.9!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -77:sc= 1.53 USER MOD Single : A 31 ASN : amide:sc= 0.393 X(o=0.39,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.0145 K(o=-0.014,f=-1) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl -158:sc= -0.0492 (180deg=-1.5) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.116) USER MOD Single : A 42 LYS NZ :NH3+ -168:sc= 1.11 (180deg=0.565) USER MOD Single : A 43 SER OG : rot 160:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.354 X(o=-0.35,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0973 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 144:sc= 0.968 (180deg=0.189) USER MOD Single : A 63 CYS SG : rot -43:sc= -1.92 USER MOD Single : A 74 HIS : no HD1:sc= -0.0961 X(o=-0.096,f=0.0019) USER MOD Single : A 77 LYS NZ :NH3+ 137:sc= 1.24 (180deg=0.656) USER MOD Single : A 81 SER OG : rot -158:sc= 1.28 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 160:sc= -0.128 (180deg=-0.559) USER MOD Single : A 96 MET CE :methyl 146:sc= -0.331 (180deg=-1.69!) USER MOD Single : A 98 THR OG1 : rot 80:sc= 1.14 USER MOD Single : A 104 SER OG : rot 70:sc= 0.365 USER MOD Single : A 105 SER OG : rot 76:sc= 0.991 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -8.674 -10.810 -15.527 1.00 0.51 N ATOM 21 CA GLU A 2 -8.651 -9.850 -14.424 1.00 0.37 C ATOM 22 C GLU A 2 -8.178 -8.486 -14.937 1.00 0.34 C ATOM 23 O GLU A 2 -7.442 -8.409 -15.925 1.00 0.48 O ATOM 24 CB GLU A 2 -7.776 -10.394 -13.273 1.00 0.53 C ATOM 25 CG GLU A 2 -6.356 -9.840 -13.273 1.00 0.96 C ATOM 26 CD GLU A 2 -5.526 -10.435 -14.409 1.00 1.61 C ATOM 27 OE1 GLU A 2 -5.738 -11.615 -14.750 1.00 2.16 O ATOM 28 OE2 GLU A 2 -4.666 -9.726 -14.970 1.00 2.09 O ATOM 0 HA GLU A 2 -9.655 -9.712 -14.022 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -8.251 -10.154 -12.322 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -7.733 -11.481 -13.343 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -6.387 -8.755 -13.373 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -5.878 -10.059 -12.318 1.00 0.96 H new ATOM 35 N GLY A 3 -8.604 -7.414 -14.274 1.00 0.25 N ATOM 36 CA GLY A 3 -8.223 -6.061 -14.677 1.00 0.28 C ATOM 37 C GLY A 3 -9.166 -5.015 -14.096 1.00 0.22 C ATOM 38 O GLY A 3 -10.124 -5.337 -13.384 1.00 0.22 O ATOM 0 H GLY A 3 -9.212 -7.455 -13.456 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -7.204 -5.856 -14.348 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.226 -5.990 -15.765 1.00 0.28 H new ATOM 42 N PHE A 4 -8.885 -3.754 -14.414 1.00 0.24 N ATOM 43 CA PHE A 4 -9.691 -2.623 -13.948 1.00 0.21 C ATOM 44 C PHE A 4 -10.972 -2.496 -14.780 1.00 0.22 C ATOM 45 O PHE A 4 -10.961 -2.710 -15.994 1.00 0.27 O ATOM 46 CB PHE A 4 -8.891 -1.322 -14.054 1.00 0.23 C ATOM 47 CG PHE A 4 -7.910 -1.119 -12.923 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.376 -0.953 -11.630 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.546 -1.084 -13.171 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.488 -0.748 -10.592 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.656 -0.883 -12.131 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.127 -0.714 -10.841 1.00 0.41 C ATOM 0 H PHE A 4 -8.095 -3.485 -15.000 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.956 -2.803 -12.906 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.349 -1.315 -14.999 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.584 -0.481 -14.078 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.437 -0.984 -11.432 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.178 -1.214 -14.178 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -7.856 -0.614 -9.585 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.594 -0.858 -12.326 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.433 -0.556 -10.029 1.00 0.41 H new ATOM 62 N LEU A 5 -12.056 -2.125 -14.116 1.00 0.19 N ATOM 63 CA LEU A 5 -13.363 -1.933 -14.752 1.00 0.21 C ATOM 64 C LEU A 5 -14.148 -0.870 -13.984 1.00 0.20 C ATOM 65 O LEU A 5 -14.144 -0.857 -12.751 1.00 0.21 O ATOM 66 CB LEU A 5 -14.178 -3.239 -14.746 1.00 0.23 C ATOM 67 CG LEU A 5 -13.973 -4.083 -16.004 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.822 -5.352 -15.928 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.324 -3.289 -17.260 1.00 0.31 C ATOM 0 H LEU A 5 -12.060 -1.946 -13.112 1.00 0.19 H new ATOM 0 HA LEU A 5 -13.197 -1.622 -15.783 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.901 -3.828 -13.872 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -15.236 -2.999 -14.646 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.920 -4.360 -16.061 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.669 -5.947 -16.829 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.529 -5.934 -15.055 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.875 -5.081 -15.846 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.169 -3.913 -18.140 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.368 -2.979 -17.214 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.686 -2.408 -17.323 1.00 0.31 H new ATOM 81 N ASN A 6 -14.856 -0.014 -14.712 1.00 0.22 N ATOM 82 CA ASN A 6 -15.695 1.026 -14.099 1.00 0.23 C ATOM 83 C ASN A 6 -17.061 0.401 -13.807 1.00 0.22 C ATOM 84 O ASN A 6 -17.667 -0.171 -14.705 1.00 0.26 O ATOM 85 CB ASN A 6 -15.805 2.234 -15.053 1.00 0.28 C ATOM 86 CG ASN A 6 -15.251 3.506 -14.403 1.00 0.72 C ATOM 87 OD1 ASN A 6 -15.998 4.301 -13.832 1.00 1.49 O ATOM 88 ND2 ASN A 6 -13.944 3.705 -14.502 1.00 1.24 N ATOM 0 H ASN A 6 -14.870 -0.015 -15.732 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.262 1.393 -13.169 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.259 2.025 -15.973 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.848 2.388 -15.330 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -13.523 4.541 -14.097 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -13.359 3.022 -14.983 1.00 1.24 H new ATOM 95 N ARG A 7 -17.510 0.453 -12.549 1.00 0.23 N ATOM 96 CA ARG A 7 -18.781 -0.170 -12.144 1.00 0.24 C ATOM 97 C ARG A 7 -19.826 0.867 -11.716 1.00 0.25 C ATOM 98 O ARG A 7 -19.537 1.774 -10.926 1.00 0.32 O ATOM 99 CB ARG A 7 -18.514 -1.152 -10.992 1.00 0.28 C ATOM 100 CG ARG A 7 -19.774 -1.941 -10.611 1.00 0.34 C ATOM 101 CD ARG A 7 -19.450 -3.134 -9.701 1.00 0.54 C ATOM 102 NE ARG A 7 -18.892 -2.681 -8.423 1.00 0.95 N ATOM 103 CZ ARG A 7 -19.401 -3.063 -7.248 1.00 1.16 C ATOM 104 NH1 ARG A 7 -19.055 -4.229 -6.722 1.00 1.46 N ATOM 105 NH2 ARG A 7 -20.264 -2.281 -6.616 1.00 1.71 N ATOM 0 H ARG A 7 -17.014 0.920 -11.790 1.00 0.23 H new ATOM 0 HA ARG A 7 -19.188 -0.697 -13.007 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.725 -1.846 -11.282 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -18.153 -0.603 -10.123 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.477 -1.279 -10.105 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -20.266 -2.298 -11.516 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -20.354 -3.716 -9.522 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.740 -3.794 -10.199 1.00 0.54 H new ATOM 0 HE ARG A 7 -18.088 -2.053 -8.431 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -18.399 -4.836 -7.214 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -19.444 -4.519 -5.825 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -20.539 -1.389 -7.026 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -20.653 -2.571 -5.719 1.00 1.71 H new ATOM 119 N LYS A 8 -21.046 0.692 -12.235 1.00 0.27 N ATOM 120 CA LYS A 8 -22.188 1.559 -11.929 1.00 0.29 C ATOM 121 C LYS A 8 -23.447 0.700 -11.852 1.00 0.29 C ATOM 122 O LYS A 8 -23.840 0.087 -12.841 1.00 0.38 O ATOM 123 CB LYS A 8 -22.341 2.627 -13.020 1.00 0.36 C ATOM 124 CG LYS A 8 -23.539 3.562 -12.777 1.00 0.37 C ATOM 125 CD LYS A 8 -24.687 3.307 -13.764 1.00 0.50 C ATOM 126 CE LYS A 8 -26.059 3.340 -13.070 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.969 4.367 -13.659 1.00 1.02 N ATOM 0 H LYS A 8 -21.270 -0.062 -12.885 1.00 0.27 H new ATOM 0 HA LYS A 8 -22.028 2.062 -10.975 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.428 3.220 -13.072 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.458 2.138 -13.987 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.902 3.426 -11.758 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -23.212 4.598 -12.864 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.661 4.059 -14.553 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -24.546 2.338 -14.243 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.526 2.358 -13.146 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.922 3.546 -12.008 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.923 3.966 -13.764 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -27.009 5.196 -13.032 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -26.610 4.655 -14.592 1.00 1.02 H new ATOM 141 N HIS A 9 -24.075 0.647 -10.678 1.00 0.43 N ATOM 142 CA HIS A 9 -25.295 -0.153 -10.486 1.00 0.52 C ATOM 143 C HIS A 9 -26.522 0.591 -11.030 1.00 0.58 C ATOM 144 O HIS A 9 -26.795 1.725 -10.642 1.00 0.73 O ATOM 145 CB HIS A 9 -25.484 -0.536 -8.998 1.00 0.68 C ATOM 146 CG HIS A 9 -25.677 0.616 -8.052 1.00 0.88 C ATOM 147 ND1 HIS A 9 -26.256 0.478 -6.818 1.00 1.21 N ATOM 148 CD2 HIS A 9 -25.353 1.931 -8.138 1.00 1.22 C ATOM 149 CE1 HIS A 9 -26.289 1.620 -6.182 1.00 1.69 C ATOM 150 NE2 HIS A 9 -25.741 2.540 -6.960 1.00 1.75 N ATOM 0 H HIS A 9 -23.764 1.146 -9.844 1.00 0.43 H new ATOM 0 HA HIS A 9 -25.185 -1.079 -11.051 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -26.347 -1.197 -8.918 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -24.614 -1.107 -8.675 1.00 0.68 H new ATOM 0 HD1 HIS A 9 -26.614 -0.401 -6.444 1.00 1.21 H new ATOM 0 HD2 HIS A 9 -24.877 2.415 -8.978 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -26.693 1.784 -5.194 1.00 1.69 H new ATOM 158 N GLU A 10 -27.244 -0.061 -11.940 1.00 0.60 N ATOM 159 CA GLU A 10 -28.444 0.514 -12.562 1.00 0.73 C ATOM 160 C GLU A 10 -29.691 0.041 -11.821 1.00 0.83 C ATOM 161 O GLU A 10 -30.584 0.836 -11.528 1.00 1.00 O ATOM 162 CB GLU A 10 -28.508 0.098 -14.041 1.00 0.79 C ATOM 163 CG GLU A 10 -29.758 0.642 -14.756 1.00 1.28 C ATOM 164 CD GLU A 10 -29.718 2.164 -14.874 1.00 1.19 C ATOM 165 OE1 GLU A 10 -28.609 2.734 -14.900 1.00 1.52 O ATOM 166 OE2 GLU A 10 -30.791 2.796 -14.922 1.00 1.72 O ATOM 0 H GLU A 10 -27.018 -1.000 -12.269 1.00 0.60 H new ATOM 0 HA GLU A 10 -28.397 1.601 -12.503 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.616 0.456 -14.554 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -28.500 -0.990 -14.109 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -29.831 0.201 -15.750 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -30.651 0.342 -14.208 1.00 1.28 H new ATOM 173 N TRP A 11 -29.744 -1.256 -11.521 1.00 0.82 N ATOM 174 CA TRP A 11 -30.878 -1.844 -10.812 1.00 0.96 C ATOM 175 C TRP A 11 -30.389 -2.887 -9.807 1.00 0.94 C ATOM 176 O TRP A 11 -29.510 -3.699 -10.110 1.00 0.84 O ATOM 177 CB TRP A 11 -31.858 -2.487 -11.814 1.00 1.08 C ATOM 178 CG TRP A 11 -33.068 -3.104 -11.162 1.00 1.26 C ATOM 179 CD1 TRP A 11 -34.153 -2.448 -10.644 1.00 1.54 C ATOM 180 CD2 TRP A 11 -33.301 -4.515 -10.946 1.00 1.26 C ATOM 181 NE1 TRP A 11 -35.025 -3.374 -10.144 1.00 1.67 N ATOM 182 CE2 TRP A 11 -34.539 -4.638 -10.305 1.00 1.51 C ATOM 183 CE3 TRP A 11 -32.581 -5.680 -11.234 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -35.064 -5.872 -9.956 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -33.101 -6.919 -10.882 1.00 1.35 C ATOM 186 CH2 TRP A 11 -34.331 -7.012 -10.249 1.00 1.53 C ATOM 0 H TRP A 11 -29.010 -1.922 -11.760 1.00 0.82 H new ATOM 0 HA TRP A 11 -31.400 -1.055 -10.271 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -32.186 -1.730 -12.526 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -31.332 -3.253 -12.383 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -34.296 -1.378 -10.633 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -35.920 -3.150 -9.709 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -31.623 -5.616 -11.729 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -36.024 -5.944 -9.466 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -32.543 -7.817 -11.103 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -34.722 -7.982 -9.981 1.00 1.53 H new ATOM 353 N SER A 22 -22.611 6.907 -8.896 1.00 1.32 N ATOM 354 CA SER A 22 -21.852 5.653 -8.834 1.00 0.74 C ATOM 355 C SER A 22 -21.147 5.362 -10.162 1.00 0.68 C ATOM 356 O SER A 22 -21.791 5.080 -11.166 1.00 1.69 O ATOM 357 CB SER A 22 -22.776 4.483 -8.475 1.00 1.62 C ATOM 358 OG SER A 22 -23.337 4.662 -7.180 1.00 1.86 O ATOM 0 HA SER A 22 -21.095 5.766 -8.058 1.00 0.74 H new ATOM 0 HB2 SER A 22 -23.573 4.403 -9.214 1.00 1.62 H new ATOM 0 HB3 SER A 22 -22.216 3.548 -8.508 1.00 1.62 H new ATOM 0 HG SER A 22 -24.075 4.029 -7.053 1.00 1.86 H new ATOM 364 N TRP A 23 -19.824 5.412 -10.133 1.00 0.69 N ATOM 365 CA TRP A 23 -18.968 5.132 -11.291 1.00 0.41 C ATOM 366 C TRP A 23 -17.551 4.994 -10.746 1.00 0.40 C ATOM 367 O TRP A 23 -16.731 5.909 -10.849 1.00 0.55 O ATOM 368 CB TRP A 23 -19.060 6.251 -12.369 1.00 0.43 C ATOM 369 CG TRP A 23 -20.003 5.920 -13.505 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.047 6.681 -13.958 1.00 0.45 C ATOM 371 CD2 TRP A 23 -19.986 4.734 -14.331 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.664 6.021 -14.991 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.048 4.834 -15.241 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.178 3.598 -14.377 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.316 3.839 -16.176 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.438 2.604 -15.308 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.499 2.722 -16.197 1.00 0.31 C ATOM 0 H TRP A 23 -19.299 5.652 -9.292 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.287 4.221 -11.796 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.387 7.176 -11.894 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -18.065 6.436 -12.775 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.338 7.644 -13.566 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.474 6.372 -15.502 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.352 3.493 -13.689 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.140 3.936 -16.867 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.808 1.727 -15.342 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.688 1.934 -16.911 1.00 0.31 H new ATOM 388 N HIS A 24 -17.307 3.853 -10.100 1.00 0.37 N ATOM 389 CA HIS A 24 -16.027 3.562 -9.451 1.00 0.45 C ATOM 390 C HIS A 24 -15.205 2.567 -10.269 1.00 0.36 C ATOM 391 O HIS A 24 -15.732 1.573 -10.775 1.00 0.34 O ATOM 392 CB HIS A 24 -16.303 2.994 -8.047 1.00 0.61 C ATOM 393 CG HIS A 24 -15.074 2.834 -7.196 1.00 1.18 C ATOM 394 ND1 HIS A 24 -14.645 3.775 -6.293 1.00 2.08 N ATOM 395 CD2 HIS A 24 -14.174 1.825 -7.102 1.00 1.66 C ATOM 396 CE1 HIS A 24 -13.555 3.378 -5.682 1.00 2.98 C ATOM 397 NE2 HIS A 24 -13.236 2.183 -6.153 1.00 2.74 N ATOM 0 H HIS A 24 -17.992 3.103 -10.012 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.449 4.483 -9.376 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -17.005 3.651 -7.533 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -16.790 2.024 -8.149 1.00 0.61 H new ATOM 0 HD2 HIS A 24 -14.188 0.905 -7.668 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -13.013 3.929 -4.928 1.00 2.98 H new ATOM 0 HE2 HIS A 24 -12.434 1.622 -5.865 1.00 2.74 H new ATOM 405 N ASN A 25 -13.904 2.836 -10.356 1.00 0.37 N ATOM 406 CA ASN A 25 -12.954 1.977 -11.071 1.00 0.35 C ATOM 407 C ASN A 25 -12.465 0.878 -10.121 1.00 0.34 C ATOM 408 O ASN A 25 -11.583 1.107 -9.289 1.00 0.55 O ATOM 409 CB ASN A 25 -11.776 2.830 -11.578 1.00 0.44 C ATOM 410 CG ASN A 25 -10.815 2.009 -12.443 1.00 0.99 C ATOM 411 OD1 ASN A 25 -11.232 1.122 -13.187 1.00 1.71 O ATOM 412 ND2 ASN A 25 -9.529 2.313 -12.348 1.00 1.49 N ATOM 0 H ASN A 25 -13.474 3.658 -9.932 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.436 1.510 -11.930 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.158 3.671 -12.156 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.236 3.246 -10.728 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -8.842 1.804 -12.905 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.226 3.056 -11.718 1.00 1.49 H new ATOM 419 N VAL A 26 -13.063 -0.306 -10.241 1.00 0.22 N ATOM 420 CA VAL A 26 -12.724 -1.458 -9.394 1.00 0.21 C ATOM 421 C VAL A 26 -11.867 -2.459 -10.171 1.00 0.18 C ATOM 422 O VAL A 26 -11.922 -2.519 -11.398 1.00 0.23 O ATOM 423 CB VAL A 26 -14.007 -2.162 -8.878 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.049 -2.151 -7.351 1.00 0.31 C ATOM 425 CG2 VAL A 26 -15.285 -1.544 -9.459 1.00 0.31 C ATOM 0 H VAL A 26 -13.795 -0.498 -10.925 1.00 0.22 H new ATOM 0 HA VAL A 26 -12.158 -1.089 -8.539 1.00 0.21 H new ATOM 0 HB VAL A 26 -13.966 -3.195 -9.223 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -14.956 -2.649 -7.008 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -13.177 -2.675 -6.959 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.044 -1.121 -6.994 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -16.155 -2.072 -9.067 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -15.341 -0.493 -9.177 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -15.268 -1.628 -10.546 1.00 0.31 H new ATOM 435 N TYR A 27 -11.109 -3.266 -9.437 1.00 0.16 N ATOM 436 CA TYR A 27 -10.266 -4.303 -10.026 1.00 0.16 C ATOM 437 C TYR A 27 -11.022 -5.625 -9.929 1.00 0.19 C ATOM 438 O TYR A 27 -11.037 -6.272 -8.878 1.00 0.34 O ATOM 439 CB TYR A 27 -8.922 -4.372 -9.292 1.00 0.17 C ATOM 440 CG TYR A 27 -7.840 -5.062 -10.096 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.743 -6.442 -10.089 1.00 0.26 C ATOM 442 CD2 TYR A 27 -6.940 -4.312 -10.833 1.00 0.28 C ATOM 443 CE1 TYR A 27 -6.748 -7.069 -10.819 1.00 0.30 C ATOM 444 CE2 TYR A 27 -5.943 -4.938 -11.557 1.00 0.33 C ATOM 445 CZ TYR A 27 -5.852 -6.314 -11.550 1.00 0.29 C ATOM 446 OH TYR A 27 -4.852 -6.937 -12.260 1.00 0.37 O ATOM 0 H TYR A 27 -11.061 -3.221 -8.419 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.050 -4.081 -11.071 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.596 -3.361 -9.048 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.057 -4.900 -8.348 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -8.443 -7.030 -9.514 1.00 0.26 H new ATOM 0 HD2 TYR A 27 -7.017 -3.235 -10.842 1.00 0.28 H new ATOM 0 HE1 TYR A 27 -6.673 -8.146 -10.817 1.00 0.30 H new ATOM 0 HE2 TYR A 27 -5.237 -4.351 -12.126 1.00 0.33 H new ATOM 0 HH TYR A 27 -4.309 -6.263 -12.720 1.00 0.37 H new ATOM 456 N CYS A 28 -11.682 -5.995 -11.019 1.00 0.16 N ATOM 457 CA CYS A 28 -12.488 -7.217 -11.077 1.00 0.19 C ATOM 458 C CYS A 28 -11.641 -8.419 -11.507 1.00 0.19 C ATOM 459 O CYS A 28 -10.851 -8.328 -12.448 1.00 0.23 O ATOM 460 CB CYS A 28 -13.648 -7.004 -12.057 1.00 0.23 C ATOM 461 SG CYS A 28 -14.607 -5.518 -11.682 1.00 0.34 S ATOM 0 H CYS A 28 -11.677 -5.461 -11.888 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.880 -7.430 -10.082 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -13.254 -6.932 -13.071 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.305 -7.873 -12.031 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.383 -5.748 -10.665 1.00 0.34 H new ATOM 467 N VAL A 29 -11.813 -9.540 -10.801 1.00 0.21 N ATOM 468 CA VAL A 29 -11.081 -10.780 -11.083 1.00 0.24 C ATOM 469 C VAL A 29 -12.048 -11.965 -11.083 1.00 0.26 C ATOM 470 O VAL A 29 -12.778 -12.166 -10.111 1.00 0.38 O ATOM 471 CB VAL A 29 -9.999 -11.012 -10.012 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.098 -12.190 -10.391 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.159 -9.753 -9.795 1.00 0.33 C ATOM 0 H VAL A 29 -12.463 -9.615 -10.018 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.609 -10.691 -12.061 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.507 -11.251 -9.078 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.342 -12.333 -9.619 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -9.700 -13.094 -10.482 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.609 -11.983 -11.343 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.403 -9.947 -9.034 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.670 -9.476 -10.729 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.804 -8.937 -9.467 1.00 0.33 H new ATOM 483 N ILE A 30 -12.029 -12.760 -12.158 1.00 0.28 N ATOM 484 CA ILE A 30 -12.882 -13.957 -12.275 1.00 0.32 C ATOM 485 C ILE A 30 -12.037 -15.182 -11.930 1.00 0.35 C ATOM 486 O ILE A 30 -10.872 -15.265 -12.329 1.00 0.44 O ATOM 487 CB ILE A 30 -13.457 -14.096 -13.703 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.810 -12.721 -14.300 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.693 -15.004 -13.698 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.465 -12.855 -15.673 1.00 0.57 C ATOM 0 H ILE A 30 -11.429 -12.598 -12.967 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.724 -13.868 -11.589 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.688 -14.549 -14.329 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.484 -12.193 -13.625 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -12.906 -12.118 -14.385 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -15.085 -15.091 -14.711 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -14.417 -15.992 -13.330 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.457 -14.575 -13.049 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.700 -11.864 -16.062 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.781 -13.360 -16.355 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -15.383 -13.436 -15.583 1.00 0.57 H new ATOM 502 N ASN A 31 -12.606 -16.124 -11.183 1.00 0.46 N ATOM 503 CA ASN A 31 -11.873 -17.330 -10.787 1.00 0.58 C ATOM 504 C ASN A 31 -12.797 -18.549 -10.770 1.00 0.71 C ATOM 505 O ASN A 31 -12.947 -19.210 -9.741 1.00 1.20 O ATOM 506 CB ASN A 31 -11.213 -17.115 -9.407 1.00 0.73 C ATOM 507 CG ASN A 31 -9.940 -17.961 -9.275 1.00 0.93 C ATOM 508 OD1 ASN A 31 -8.828 -17.431 -9.274 1.00 1.27 O ATOM 509 ND2 ASN A 31 -10.094 -19.272 -9.154 1.00 1.47 N ATOM 0 H ASN A 31 -13.566 -16.080 -10.840 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.090 -17.521 -11.521 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -10.970 -16.061 -9.275 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -11.916 -17.381 -8.617 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -9.277 -19.875 -9.056 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -11.030 -19.678 -9.159 1.00 1.47 H new ATOM 516 N ASN A 32 -13.385 -18.862 -11.929 1.00 0.85 N ATOM 517 CA ASN A 32 -14.271 -20.033 -12.091 1.00 1.00 C ATOM 518 C ASN A 32 -15.596 -19.882 -11.319 1.00 1.00 C ATOM 519 O ASN A 32 -15.639 -20.056 -10.100 1.00 1.97 O ATOM 520 CB ASN A 32 -13.529 -21.313 -11.640 1.00 1.24 C ATOM 521 CG ASN A 32 -14.202 -22.578 -12.181 1.00 1.73 C ATOM 522 OD1 ASN A 32 -15.342 -22.887 -11.833 1.00 2.06 O ATOM 523 ND2 ASN A 32 -13.494 -23.324 -13.013 1.00 2.52 N ATOM 0 H ASN A 32 -13.265 -18.316 -12.782 1.00 0.85 H new ATOM 0 HA ASN A 32 -14.528 -20.107 -13.148 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -12.495 -21.275 -11.984 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -13.501 -21.353 -10.551 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -13.890 -24.186 -13.388 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -12.552 -23.037 -13.280 1.00 2.52 H new ATOM 530 N GLN A 33 -16.678 -19.596 -12.054 1.00 0.75 N ATOM 531 CA GLN A 33 -18.045 -19.458 -11.504 1.00 0.67 C ATOM 532 C GLN A 33 -18.244 -18.206 -10.624 1.00 0.56 C ATOM 533 O GLN A 33 -19.382 -17.699 -10.539 1.00 0.71 O ATOM 534 CB GLN A 33 -18.464 -20.753 -10.761 1.00 0.83 C ATOM 535 CG GLN A 33 -18.656 -20.566 -9.248 1.00 1.46 C ATOM 536 CD GLN A 33 -19.031 -21.894 -8.596 1.00 1.85 C ATOM 537 OE1 GLN A 33 -20.096 -22.449 -8.869 1.00 2.11 O ATOM 538 NE2 GLN A 33 -18.173 -22.402 -7.726 1.00 2.67 N ATOM 0 H GLN A 33 -16.635 -19.451 -13.063 1.00 0.75 H new ATOM 0 HA GLN A 33 -18.706 -19.310 -12.358 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -19.394 -21.124 -11.193 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -17.707 -21.519 -10.930 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -17.739 -20.180 -8.803 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -19.436 -19.828 -9.062 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -17.300 -21.913 -7.525 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -18.384 -23.282 -7.256 1.00 2.67 H new ATOM 547 N GLU A 34 -17.174 -17.717 -9.964 1.00 0.53 N ATOM 548 CA GLU A 34 -17.273 -16.542 -9.094 1.00 0.49 C ATOM 549 C GLU A 34 -16.191 -15.517 -9.427 1.00 0.45 C ATOM 550 O GLU A 34 -15.258 -15.795 -10.186 1.00 0.64 O ATOM 551 CB GLU A 34 -17.174 -16.968 -7.624 1.00 0.61 C ATOM 552 CG GLU A 34 -15.921 -17.805 -7.350 1.00 1.25 C ATOM 553 CD GLU A 34 -15.713 -17.968 -5.850 1.00 1.42 C ATOM 554 OE1 GLU A 34 -16.681 -18.313 -5.144 1.00 1.79 O ATOM 555 OE2 GLU A 34 -14.583 -17.755 -5.374 1.00 1.89 O ATOM 0 H GLU A 34 -16.239 -18.120 -10.021 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.242 -16.071 -9.263 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -17.163 -16.081 -6.990 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -18.060 -17.543 -7.353 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -16.019 -18.784 -7.819 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -15.050 -17.324 -7.795 1.00 1.25 H new ATOM 562 N MET A 35 -16.330 -14.331 -8.843 1.00 0.36 N ATOM 563 CA MET A 35 -15.389 -13.232 -9.048 1.00 0.35 C ATOM 564 C MET A 35 -15.256 -12.409 -7.762 1.00 0.32 C ATOM 565 O MET A 35 -16.014 -12.604 -6.804 1.00 0.42 O ATOM 566 CB MET A 35 -15.862 -12.341 -10.209 1.00 0.41 C ATOM 567 CG MET A 35 -17.291 -11.826 -10.001 1.00 0.43 C ATOM 568 SD MET A 35 -17.858 -10.801 -11.370 1.00 0.60 S ATOM 569 CE MET A 35 -16.786 -9.367 -11.197 1.00 1.25 C ATOM 0 H MET A 35 -17.099 -14.103 -8.213 1.00 0.36 H new ATOM 0 HA MET A 35 -14.412 -13.644 -9.302 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.184 -11.494 -10.314 1.00 0.41 H new ATOM 0 HB3 MET A 35 -15.813 -12.905 -11.140 1.00 0.41 H new ATOM 0 HG2 MET A 35 -17.966 -12.674 -9.882 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.336 -11.250 -9.077 1.00 0.43 H new ATOM 0 HE1 MET A 35 -17.245 -8.508 -11.686 1.00 1.25 H new ATOM 0 HE2 MET A 35 -16.640 -9.147 -10.139 1.00 1.25 H new ATOM 0 HE3 MET A 35 -15.822 -9.576 -11.660 1.00 1.25 H new ATOM 579 N GLY A 36 -14.291 -11.493 -7.748 1.00 0.27 N ATOM 580 CA GLY A 36 -14.042 -10.631 -6.587 1.00 0.29 C ATOM 581 C GLY A 36 -13.743 -9.195 -7.023 1.00 0.25 C ATOM 582 O GLY A 36 -13.029 -8.971 -8.008 1.00 0.28 O ATOM 0 H GLY A 36 -13.662 -11.325 -8.533 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.911 -10.641 -5.929 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.202 -11.022 -6.012 1.00 0.29 H new ATOM 586 N PHE A 37 -14.287 -8.227 -6.278 1.00 0.24 N ATOM 587 CA PHE A 37 -14.088 -6.797 -6.552 1.00 0.25 C ATOM 588 C PHE A 37 -13.024 -6.240 -5.601 1.00 0.25 C ATOM 589 O PHE A 37 -13.306 -5.998 -4.424 1.00 0.40 O ATOM 590 CB PHE A 37 -15.403 -6.032 -6.354 1.00 0.30 C ATOM 591 CG PHE A 37 -16.448 -6.359 -7.396 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.324 -5.869 -8.687 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.533 -7.154 -7.064 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.281 -6.177 -9.639 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.487 -7.458 -8.017 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.364 -6.947 -9.310 1.00 0.33 C ATOM 0 H PHE A 37 -14.878 -8.411 -5.467 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.760 -6.675 -7.584 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.802 -6.259 -5.365 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.199 -4.961 -6.377 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.481 -5.247 -8.950 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.634 -7.537 -6.059 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.172 -5.807 -10.648 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.325 -8.089 -7.762 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.122 -7.159 -10.050 1.00 0.33 H new ATOM 606 N TYR A 38 -11.807 -6.054 -6.111 1.00 0.20 N ATOM 607 CA TYR A 38 -10.684 -5.542 -5.309 1.00 0.21 C ATOM 608 C TYR A 38 -10.336 -4.098 -5.692 1.00 0.21 C ATOM 609 O TYR A 38 -10.910 -3.525 -6.622 1.00 0.23 O ATOM 610 CB TYR A 38 -9.463 -6.446 -5.508 1.00 0.23 C ATOM 611 CG TYR A 38 -9.707 -7.865 -5.058 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.600 -8.190 -3.717 1.00 0.42 C ATOM 613 CD2 TYR A 38 -10.041 -8.842 -5.978 1.00 0.27 C ATOM 614 CE1 TYR A 38 -9.827 -9.488 -3.297 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.268 -10.141 -5.559 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.160 -10.459 -4.220 1.00 0.44 C ATOM 617 OH TYR A 38 -10.384 -11.748 -3.798 1.00 0.55 O ATOM 0 H TYR A 38 -11.567 -6.250 -7.083 1.00 0.20 H new ATOM 0 HA TYR A 38 -10.980 -5.546 -4.260 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.185 -6.447 -6.562 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.618 -6.035 -4.956 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.339 -7.429 -2.997 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.125 -8.591 -7.025 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -9.744 -9.741 -2.250 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.529 -10.904 -6.277 1.00 0.35 H new ATOM 0 HH TYR A 38 -10.609 -12.310 -4.569 1.00 0.55 H new ATOM 627 N LYS A 39 -9.381 -3.515 -4.960 1.00 0.25 N ATOM 628 CA LYS A 39 -8.932 -2.136 -5.194 1.00 0.29 C ATOM 629 C LYS A 39 -8.042 -2.047 -6.443 1.00 0.28 C ATOM 630 O LYS A 39 -8.286 -1.227 -7.329 1.00 0.33 O ATOM 631 CB LYS A 39 -8.162 -1.636 -3.960 1.00 0.36 C ATOM 632 CG LYS A 39 -7.914 -0.125 -4.000 1.00 0.70 C ATOM 633 CD LYS A 39 -6.758 0.272 -3.070 1.00 1.15 C ATOM 634 CE LYS A 39 -6.972 1.651 -2.436 1.00 1.82 C ATOM 635 NZ LYS A 39 -7.320 2.691 -3.450 1.00 2.51 N ATOM 0 H LYS A 39 -8.899 -3.982 -4.192 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.807 -1.508 -5.362 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.723 -1.886 -3.059 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.207 -2.157 -3.895 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.685 0.182 -5.021 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -8.820 0.403 -3.704 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -6.654 -0.475 -2.283 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -5.825 0.274 -3.633 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -7.768 1.588 -1.694 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -6.067 1.950 -1.907 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -7.322 3.628 -2.999 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -6.617 2.677 -4.217 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -8.263 2.493 -3.841 1.00 2.51 H new ATOM 649 N ASP A 40 -7.010 -2.887 -6.490 1.00 0.28 N ATOM 650 CA ASP A 40 -6.056 -2.919 -7.608 1.00 0.32 C ATOM 651 C ASP A 40 -5.433 -4.319 -7.740 1.00 0.33 C ATOM 652 O ASP A 40 -5.860 -5.272 -7.079 1.00 0.32 O ATOM 653 CB ASP A 40 -4.957 -1.848 -7.397 1.00 0.38 C ATOM 654 CG ASP A 40 -3.857 -2.328 -6.440 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.152 -2.538 -5.247 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.695 -2.476 -6.880 1.00 0.94 O ATOM 0 H ASP A 40 -6.807 -3.566 -5.757 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.587 -2.694 -8.533 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.513 -1.591 -8.359 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.409 -0.939 -7.001 1.00 0.38 H new ATOM 661 N ALA A 41 -4.401 -4.418 -8.585 1.00 0.40 N ATOM 662 CA ALA A 41 -3.672 -5.673 -8.818 1.00 0.45 C ATOM 663 C ALA A 41 -3.047 -6.205 -7.521 1.00 0.45 C ATOM 664 O ALA A 41 -3.087 -7.408 -7.256 1.00 0.47 O ATOM 665 CB ALA A 41 -2.578 -5.451 -9.867 1.00 0.55 C ATOM 0 H ALA A 41 -4.046 -3.631 -9.128 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.384 -6.415 -9.181 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.041 -6.384 -10.036 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.031 -5.119 -10.801 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -1.882 -4.691 -9.512 1.00 0.55 H new ATOM 671 N LYS A 42 -2.490 -5.304 -6.702 1.00 0.46 N ATOM 672 CA LYS A 42 -1.880 -5.687 -5.420 1.00 0.48 C ATOM 673 C LYS A 42 -2.961 -6.197 -4.462 1.00 0.43 C ATOM 674 O LYS A 42 -2.800 -7.241 -3.829 1.00 0.47 O ATOM 675 CB LYS A 42 -1.151 -4.492 -4.792 1.00 0.54 C ATOM 676 CG LYS A 42 0.096 -4.111 -5.589 1.00 0.77 C ATOM 677 CD LYS A 42 0.844 -2.943 -4.936 1.00 1.12 C ATOM 678 CE LYS A 42 0.036 -1.642 -4.983 1.00 1.96 C ATOM 679 NZ LYS A 42 -0.410 -1.323 -6.367 1.00 2.76 N ATOM 0 H LYS A 42 -2.449 -4.305 -6.903 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.155 -6.480 -5.603 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -1.827 -3.638 -4.742 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.869 -4.735 -3.768 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.759 -4.973 -5.664 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.189 -3.839 -6.605 1.00 0.77 H new ATOM 0 HD2 LYS A 42 1.069 -3.192 -3.899 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.798 -2.795 -5.443 1.00 1.12 H new ATOM 0 HE2 LYS A 42 -0.833 -1.729 -4.331 1.00 1.96 H new ATOM 0 HE3 LYS A 42 0.642 -0.822 -4.598 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 -0.772 -0.349 -6.399 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 0.394 -1.415 -7.021 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 -1.163 -1.982 -6.650 1.00 2.76 H new ATOM 693 N SER A 43 -4.073 -5.457 -4.387 1.00 0.38 N ATOM 694 CA SER A 43 -5.218 -5.809 -3.537 1.00 0.38 C ATOM 695 C SER A 43 -5.775 -7.188 -3.926 1.00 0.39 C ATOM 696 O SER A 43 -6.067 -8.020 -3.063 1.00 0.45 O ATOM 697 CB SER A 43 -6.307 -4.736 -3.688 1.00 0.37 C ATOM 698 OG SER A 43 -7.261 -4.802 -2.639 1.00 1.04 O ATOM 0 H SER A 43 -4.205 -4.595 -4.915 1.00 0.38 H new ATOM 0 HA SER A 43 -4.892 -5.855 -2.498 1.00 0.38 H new ATOM 0 HB2 SER A 43 -5.845 -3.749 -3.698 1.00 0.37 H new ATOM 0 HB3 SER A 43 -6.811 -4.862 -4.646 1.00 0.37 H new ATOM 0 HG SER A 43 -7.735 -3.947 -2.574 1.00 1.04 H new ATOM 704 N ALA A 44 -5.907 -7.417 -5.238 1.00 0.37 N ATOM 705 CA ALA A 44 -6.419 -8.684 -5.776 1.00 0.43 C ATOM 706 C ALA A 44 -5.438 -9.829 -5.513 1.00 0.51 C ATOM 707 O ALA A 44 -5.839 -10.912 -5.083 1.00 0.59 O ATOM 708 CB ALA A 44 -6.672 -8.547 -7.281 1.00 0.43 C ATOM 0 H ALA A 44 -5.663 -6.733 -5.954 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.357 -8.916 -5.271 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -7.052 -9.490 -7.673 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.405 -7.760 -7.457 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.739 -8.293 -7.785 1.00 0.43 H new ATOM 714 N ALA A 45 -4.152 -9.580 -5.772 1.00 0.54 N ATOM 715 CA ALA A 45 -3.095 -10.580 -5.568 1.00 0.64 C ATOM 716 C ALA A 45 -2.981 -10.977 -4.092 1.00 0.68 C ATOM 717 O ALA A 45 -2.919 -12.164 -3.770 1.00 0.76 O ATOM 718 CB ALA A 45 -1.754 -10.032 -6.062 1.00 0.69 C ATOM 0 H ALA A 45 -3.813 -8.686 -6.127 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.359 -11.470 -6.140 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -0.976 -10.780 -5.907 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.826 -9.798 -7.124 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.504 -9.128 -5.507 1.00 0.69 H new ATOM 724 N SER A 46 -2.956 -9.984 -3.201 1.00 0.65 N ATOM 725 CA SER A 46 -2.852 -10.202 -1.779 1.00 0.73 C ATOM 726 C SER A 46 -4.158 -10.776 -1.201 1.00 0.74 C ATOM 727 O SER A 46 -4.128 -11.565 -0.259 1.00 0.84 O ATOM 728 CB SER A 46 -2.526 -8.854 -1.150 1.00 0.75 C ATOM 729 OG SER A 46 -1.143 -8.550 -1.291 1.00 1.21 O ATOM 0 H SER A 46 -3.009 -8.999 -3.462 1.00 0.65 H new ATOM 0 HA SER A 46 -2.073 -10.933 -1.562 1.00 0.73 H new ATOM 0 HB2 SER A 46 -3.124 -8.074 -1.621 1.00 0.75 H new ATOM 0 HB3 SER A 46 -2.794 -8.867 -0.094 1.00 0.75 H new ATOM 0 HG SER A 46 -0.956 -7.679 -0.882 1.00 1.21 H new ATOM 735 N GLY A 47 -5.295 -10.371 -1.770 1.00 0.70 N ATOM 736 CA GLY A 47 -6.611 -10.831 -1.317 1.00 0.74 C ATOM 737 C GLY A 47 -7.109 -9.966 -0.160 1.00 0.75 C ATOM 738 O GLY A 47 -7.549 -10.479 0.870 1.00 0.88 O ATOM 0 H GLY A 47 -5.331 -9.719 -2.553 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.322 -10.789 -2.142 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.550 -11.872 -1.001 1.00 0.74 H new ATOM 742 N ILE A 48 -7.019 -8.650 -0.340 1.00 0.67 N ATOM 743 CA ILE A 48 -7.435 -7.679 0.672 1.00 0.72 C ATOM 744 C ILE A 48 -8.895 -7.264 0.445 1.00 0.75 C ATOM 745 O ILE A 48 -9.281 -6.918 -0.672 1.00 0.75 O ATOM 746 CB ILE A 48 -6.511 -6.452 0.604 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.037 -6.897 0.528 1.00 0.78 C ATOM 748 CG2 ILE A 48 -6.735 -5.532 1.806 1.00 0.82 C ATOM 749 CD1 ILE A 48 -4.081 -5.708 0.541 1.00 0.97 C ATOM 0 H ILE A 48 -6.655 -8.225 -1.193 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.361 -8.132 1.661 1.00 0.72 H new ATOM 0 HB ILE A 48 -6.752 -5.891 -0.299 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -4.812 -7.553 1.369 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -4.880 -7.479 -0.380 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.070 -4.672 1.735 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -7.770 -5.191 1.815 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -6.525 -6.078 2.726 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -3.053 -6.067 0.486 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -4.287 -5.066 -0.315 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -4.218 -5.141 1.462 1.00 0.97 H new ATOM 761 N PRO A 49 -9.730 -7.284 1.506 1.00 0.84 N ATOM 762 CA PRO A 49 -11.148 -6.899 1.406 1.00 0.93 C ATOM 763 C PRO A 49 -11.314 -5.377 1.308 1.00 0.93 C ATOM 764 O PRO A 49 -11.425 -4.683 2.322 1.00 1.08 O ATOM 765 CB PRO A 49 -11.771 -7.457 2.687 1.00 1.07 C ATOM 766 CG PRO A 49 -10.650 -7.548 3.674 1.00 1.06 C ATOM 767 CD PRO A 49 -9.365 -7.674 2.883 1.00 0.92 C ATOM 0 HA PRO A 49 -11.626 -7.290 0.508 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -12.564 -6.805 3.053 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.219 -8.435 2.511 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -10.625 -6.663 4.310 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -10.784 -8.408 4.330 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -8.588 -7.024 3.285 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -8.978 -8.693 2.916 1.00 0.92 H new ATOM 775 N TYR A 50 -11.302 -4.866 0.075 1.00 0.87 N ATOM 776 CA TYR A 50 -11.427 -3.426 -0.197 1.00 0.91 C ATOM 777 C TYR A 50 -12.778 -2.882 0.291 1.00 1.12 C ATOM 778 O TYR A 50 -12.829 -2.050 1.198 1.00 1.91 O ATOM 779 CB TYR A 50 -11.255 -3.174 -1.703 1.00 0.92 C ATOM 780 CG TYR A 50 -11.379 -1.714 -2.095 1.00 0.94 C ATOM 781 CD1 TYR A 50 -10.552 -0.764 -1.513 1.00 1.02 C ATOM 782 CD2 TYR A 50 -12.323 -1.322 -3.033 1.00 1.13 C ATOM 783 CE1 TYR A 50 -10.670 0.569 -1.865 1.00 1.13 C ATOM 784 CE2 TYR A 50 -12.437 0.013 -3.385 1.00 1.24 C ATOM 785 CZ TYR A 50 -11.601 0.948 -2.820 1.00 1.17 C ATOM 786 OH TYR A 50 -11.732 2.282 -3.142 1.00 1.34 O ATOM 0 H TYR A 50 -11.206 -5.436 -0.765 1.00 0.87 H new ATOM 0 HA TYR A 50 -10.645 -2.898 0.350 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -10.278 -3.543 -2.015 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -12.002 -3.752 -2.247 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -9.815 -1.066 -0.784 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -12.969 -2.058 -3.489 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -10.040 1.311 -1.398 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -13.183 0.320 -4.103 1.00 1.24 H new ATOM 0 HH TYR A 50 -10.871 2.734 -3.021 1.00 1.34 H new ATOM 796 N HIS A 51 -13.862 -3.363 -0.315 1.00 1.28 N ATOM 797 CA HIS A 51 -15.227 -2.946 0.043 1.00 1.53 C ATOM 798 C HIS A 51 -15.930 -4.070 0.808 1.00 1.61 C ATOM 799 O HIS A 51 -15.365 -5.149 1.015 1.00 2.07 O ATOM 800 CB HIS A 51 -16.021 -2.612 -1.241 1.00 2.01 C ATOM 801 CG HIS A 51 -16.028 -1.149 -1.587 1.00 2.54 C ATOM 802 ND1 HIS A 51 -17.105 -0.518 -2.159 1.00 3.19 N ATOM 803 CD2 HIS A 51 -15.092 -0.175 -1.441 1.00 2.89 C ATOM 804 CE1 HIS A 51 -16.857 0.752 -2.356 1.00 3.87 C ATOM 805 NE2 HIS A 51 -15.631 1.001 -1.929 1.00 3.74 N ATOM 0 H HIS A 51 -13.825 -4.051 -1.067 1.00 1.28 H new ATOM 0 HA HIS A 51 -15.177 -2.061 0.677 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -15.597 -3.171 -2.075 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -17.049 -2.952 -1.120 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -14.105 -0.297 -1.020 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -17.535 1.471 -2.791 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -15.162 1.907 -1.955 1.00 3.74 H new ATOM 813 N SER A 52 -17.177 -3.826 1.203 1.00 1.60 N ATOM 814 CA SER A 52 -17.978 -4.828 1.913 1.00 1.96 C ATOM 815 C SER A 52 -18.437 -5.900 0.913 1.00 1.85 C ATOM 816 O SER A 52 -18.384 -7.099 1.191 1.00 2.45 O ATOM 817 CB SER A 52 -19.186 -4.162 2.593 1.00 2.44 C ATOM 818 OG SER A 52 -19.627 -3.019 1.860 1.00 2.65 O ATOM 0 H SER A 52 -17.659 -2.941 1.044 1.00 1.60 H new ATOM 0 HA SER A 52 -17.375 -5.297 2.690 1.00 1.96 H new ATOM 0 HB2 SER A 52 -20.001 -4.881 2.676 1.00 2.44 H new ATOM 0 HB3 SER A 52 -18.918 -3.866 3.607 1.00 2.44 H new ATOM 0 HG SER A 52 -20.397 -2.616 2.314 1.00 2.65 H new ATOM 824 N GLU A 53 -18.850 -5.438 -0.271 1.00 1.45 N ATOM 825 CA GLU A 53 -19.292 -6.309 -1.363 1.00 1.37 C ATOM 826 C GLU A 53 -18.092 -6.663 -2.245 1.00 1.08 C ATOM 827 O GLU A 53 -17.804 -5.966 -3.219 1.00 1.24 O ATOM 828 CB GLU A 53 -20.374 -5.609 -2.205 1.00 1.73 C ATOM 829 CG GLU A 53 -20.078 -4.108 -2.414 1.00 2.39 C ATOM 830 CD GLU A 53 -20.708 -3.589 -3.707 1.00 2.88 C ATOM 831 OE1 GLU A 53 -20.887 -4.387 -4.647 1.00 3.46 O ATOM 832 OE2 GLU A 53 -21.046 -2.389 -3.783 1.00 3.23 O ATOM 0 H GLU A 53 -18.887 -4.445 -0.499 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.718 -7.220 -0.942 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -20.450 -6.100 -3.175 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -21.341 -5.721 -1.715 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -20.461 -3.539 -1.567 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -19.000 -3.949 -2.443 1.00 2.39 H new ATOM 839 N VAL A 54 -17.390 -7.739 -1.892 1.00 0.84 N ATOM 840 CA VAL A 54 -16.214 -8.181 -2.647 1.00 0.66 C ATOM 841 C VAL A 54 -16.514 -9.498 -3.382 1.00 0.55 C ATOM 842 O VAL A 54 -16.525 -9.512 -4.612 1.00 0.49 O ATOM 843 CB VAL A 54 -14.989 -8.280 -1.715 1.00 0.81 C ATOM 844 CG1 VAL A 54 -13.834 -9.034 -2.380 1.00 0.77 C ATOM 845 CG2 VAL A 54 -14.525 -6.881 -1.311 1.00 1.34 C ATOM 0 H VAL A 54 -17.614 -8.323 -1.086 1.00 0.84 H new ATOM 0 HA VAL A 54 -15.972 -7.443 -3.412 1.00 0.66 H new ATOM 0 HB VAL A 54 -15.291 -8.838 -0.829 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -12.989 -9.084 -1.694 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -14.156 -10.044 -2.632 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.533 -8.512 -3.288 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -13.660 -6.961 -0.653 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -14.252 -6.317 -2.203 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -15.332 -6.367 -0.789 1.00 1.34 H new ATOM 855 N PRO A 55 -16.764 -10.628 -2.667 1.00 0.62 N ATOM 856 CA PRO A 55 -17.063 -11.920 -3.324 1.00 0.59 C ATOM 857 C PRO A 55 -18.462 -11.940 -3.956 1.00 0.58 C ATOM 858 O PRO A 55 -19.458 -11.680 -3.280 1.00 0.83 O ATOM 859 CB PRO A 55 -16.986 -12.939 -2.191 1.00 0.76 C ATOM 860 CG PRO A 55 -17.280 -12.163 -0.953 1.00 0.87 C ATOM 861 CD PRO A 55 -16.776 -10.761 -1.193 1.00 0.83 C ATOM 0 HA PRO A 55 -16.369 -12.122 -4.140 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.708 -13.743 -2.334 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -16.000 -13.401 -2.142 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -18.350 -12.160 -0.743 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -16.787 -12.610 -0.090 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -17.427 -10.019 -0.731 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -15.781 -10.618 -0.772 1.00 0.83 H new ATOM 869 N VAL A 56 -18.528 -12.255 -5.247 1.00 0.41 N ATOM 870 CA VAL A 56 -19.798 -12.325 -5.977 1.00 0.43 C ATOM 871 C VAL A 56 -19.759 -13.500 -6.962 1.00 0.42 C ATOM 872 O VAL A 56 -18.736 -13.754 -7.600 1.00 0.43 O ATOM 873 CB VAL A 56 -20.060 -11.003 -6.723 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.324 -11.094 -7.588 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.174 -9.833 -5.738 1.00 0.63 C ATOM 0 H VAL A 56 -17.710 -12.468 -5.817 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.611 -12.483 -5.268 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.210 -10.822 -7.380 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.482 -10.146 -8.102 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.205 -11.890 -8.323 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.184 -11.311 -6.954 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.359 -8.911 -6.289 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -20.999 -10.016 -5.049 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.245 -9.740 -5.175 1.00 0.63 H new ATOM 885 N SER A 57 -20.880 -14.211 -7.069 1.00 0.47 N ATOM 886 CA SER A 57 -21.018 -15.358 -7.955 1.00 0.48 C ATOM 887 C SER A 57 -21.478 -14.907 -9.346 1.00 0.46 C ATOM 888 O SER A 57 -22.354 -14.052 -9.475 1.00 0.59 O ATOM 889 CB SER A 57 -22.029 -16.314 -7.338 1.00 0.61 C ATOM 890 OG SER A 57 -21.756 -16.511 -5.954 1.00 0.91 O ATOM 0 H SER A 57 -21.725 -14.002 -6.536 1.00 0.47 H new ATOM 0 HA SER A 57 -20.057 -15.860 -8.073 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.036 -15.916 -7.462 1.00 0.61 H new ATOM 0 HB3 SER A 57 -21.998 -17.271 -7.860 1.00 0.61 H new ATOM 0 HG SER A 57 -22.417 -17.127 -5.575 1.00 0.91 H new ATOM 896 N LEU A 58 -20.877 -15.491 -10.375 1.00 0.44 N ATOM 897 CA LEU A 58 -21.191 -15.176 -11.767 1.00 0.49 C ATOM 898 C LEU A 58 -21.633 -16.453 -12.492 1.00 0.60 C ATOM 899 O LEU A 58 -21.120 -16.793 -13.560 1.00 0.89 O ATOM 900 CB LEU A 58 -19.948 -14.559 -12.434 1.00 0.67 C ATOM 901 CG LEU A 58 -20.319 -13.583 -13.556 1.00 0.70 C ATOM 902 CD1 LEU A 58 -20.913 -12.293 -12.989 1.00 0.60 C ATOM 903 CD2 LEU A 58 -19.095 -13.269 -14.418 1.00 0.86 C ATOM 0 H LEU A 58 -20.153 -16.201 -10.269 1.00 0.44 H new ATOM 0 HA LEU A 58 -22.007 -14.456 -11.819 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.355 -14.038 -11.682 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -19.322 -15.354 -12.839 1.00 0.67 H new ATOM 0 HG LEU A 58 -21.075 -14.060 -14.180 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -21.167 -11.619 -13.807 1.00 0.60 H new ATOM 0 HD12 LEU A 58 -21.812 -12.526 -12.419 1.00 0.60 H new ATOM 0 HD13 LEU A 58 -20.184 -11.813 -12.336 1.00 0.60 H new ATOM 0 HD21 LEU A 58 -19.376 -12.575 -15.210 1.00 0.86 H new ATOM 0 HD22 LEU A 58 -18.320 -12.818 -13.798 1.00 0.86 H new ATOM 0 HD23 LEU A 58 -18.716 -14.190 -14.861 1.00 0.86 H new ATOM 915 N LYS A 59 -22.595 -17.159 -11.891 1.00 0.70 N ATOM 916 CA LYS A 59 -23.127 -18.406 -12.448 1.00 0.90 C ATOM 917 C LYS A 59 -24.192 -18.090 -13.507 1.00 0.87 C ATOM 918 O LYS A 59 -25.333 -17.802 -13.167 1.00 0.95 O ATOM 919 CB LYS A 59 -23.727 -19.263 -11.313 1.00 1.13 C ATOM 920 CG LYS A 59 -23.107 -20.659 -11.268 1.00 1.41 C ATOM 921 CD LYS A 59 -23.610 -21.542 -12.416 1.00 1.78 C ATOM 922 CE LYS A 59 -25.106 -21.851 -12.280 1.00 2.18 C ATOM 923 NZ LYS A 59 -25.446 -23.169 -12.883 1.00 2.83 N ATOM 0 H LYS A 59 -23.025 -16.884 -11.008 1.00 0.70 H new ATOM 0 HA LYS A 59 -22.322 -18.967 -12.924 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -23.568 -18.764 -10.357 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -24.805 -19.348 -11.453 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -22.021 -20.577 -11.321 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -23.344 -21.132 -10.315 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -23.427 -21.042 -13.367 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -23.046 -22.474 -12.432 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -25.385 -21.849 -11.226 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -25.687 -21.067 -12.765 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -26.186 -23.630 -12.316 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -25.791 -23.028 -13.854 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -24.599 -23.772 -12.901 1.00 2.83 H new ATOM 937 N GLU A 60 -23.804 -18.140 -14.783 1.00 0.89 N ATOM 938 CA GLU A 60 -24.710 -17.858 -15.913 1.00 0.93 C ATOM 939 C GLU A 60 -25.271 -16.431 -15.839 1.00 0.71 C ATOM 940 O GLU A 60 -26.470 -16.228 -15.621 1.00 0.82 O ATOM 941 CB GLU A 60 -25.850 -18.886 -15.963 1.00 1.20 C ATOM 942 CG GLU A 60 -25.305 -20.310 -16.100 1.00 1.43 C ATOM 943 CD GLU A 60 -26.447 -21.313 -16.173 1.00 1.80 C ATOM 944 OE1 GLU A 60 -27.387 -21.093 -16.958 1.00 2.04 O ATOM 945 OE2 GLU A 60 -26.407 -22.322 -15.445 1.00 2.33 O ATOM 0 H GLU A 60 -22.854 -18.377 -15.069 1.00 0.89 H new ATOM 0 HA GLU A 60 -24.129 -17.939 -16.832 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -26.452 -18.810 -15.058 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -26.508 -18.663 -16.803 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -24.689 -20.385 -16.996 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -24.662 -20.543 -15.251 1.00 1.43 H new ATOM 952 N ALA A 61 -24.392 -15.448 -16.032 1.00 0.51 N ATOM 953 CA ALA A 61 -24.769 -14.030 -16.001 1.00 0.35 C ATOM 954 C ALA A 61 -24.962 -13.506 -17.423 1.00 0.35 C ATOM 955 O ALA A 61 -24.115 -13.728 -18.293 1.00 0.43 O ATOM 956 CB ALA A 61 -23.677 -13.215 -15.301 1.00 0.31 C ATOM 0 H ALA A 61 -23.401 -15.608 -16.214 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.705 -13.929 -15.452 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.964 -12.164 -15.282 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.552 -13.576 -14.280 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.737 -13.325 -15.842 1.00 0.31 H new ATOM 962 N ILE A 62 -26.064 -12.794 -17.654 1.00 0.34 N ATOM 963 CA ILE A 62 -26.355 -12.221 -18.973 1.00 0.37 C ATOM 964 C ILE A 62 -25.554 -10.932 -19.155 1.00 0.31 C ATOM 965 O ILE A 62 -25.465 -10.109 -18.237 1.00 0.31 O ATOM 966 CB ILE A 62 -27.857 -11.934 -19.128 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.691 -13.207 -18.928 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.157 -11.327 -20.502 1.00 0.57 C ATOM 969 CD1 ILE A 62 -28.510 -14.196 -20.079 1.00 1.27 C ATOM 0 H ILE A 62 -26.772 -12.599 -16.946 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.068 -12.942 -19.738 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.133 -11.216 -18.356 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.405 -13.685 -17.991 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -29.744 -12.941 -18.841 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.226 -11.133 -20.588 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -27.608 -10.392 -20.615 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -27.851 -12.024 -21.282 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -29.118 -15.082 -19.896 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -28.822 -13.728 -21.013 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -27.461 -14.484 -20.150 1.00 1.27 H new ATOM 981 N CYS A 63 -24.963 -10.769 -20.333 1.00 0.34 N ATOM 982 CA CYS A 63 -24.150 -9.595 -20.644 1.00 0.33 C ATOM 983 C CYS A 63 -24.603 -8.963 -21.968 1.00 0.34 C ATOM 984 O CYS A 63 -24.558 -9.603 -23.020 1.00 0.52 O ATOM 985 CB CYS A 63 -22.674 -10.014 -20.703 1.00 0.37 C ATOM 986 SG CYS A 63 -21.565 -8.722 -20.124 1.00 0.53 S ATOM 0 H CYS A 63 -25.032 -11.442 -21.097 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.275 -8.843 -19.865 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.530 -10.909 -20.098 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.415 -10.277 -21.729 1.00 0.37 H new ATOM 0 HG CYS A 63 -21.948 -7.575 -20.602 1.00 0.53 H new ATOM 992 N GLU A 64 -25.039 -7.700 -21.901 1.00 0.26 N ATOM 993 CA GLU A 64 -25.503 -6.949 -23.079 1.00 0.29 C ATOM 994 C GLU A 64 -24.571 -5.765 -23.332 1.00 0.24 C ATOM 995 O GLU A 64 -24.003 -5.211 -22.397 1.00 0.36 O ATOM 996 CB GLU A 64 -26.930 -6.446 -22.849 1.00 0.33 C ATOM 997 CG GLU A 64 -27.944 -7.587 -22.946 1.00 0.81 C ATOM 998 CD GLU A 64 -29.334 -7.075 -22.607 1.00 1.41 C ATOM 999 OE1 GLU A 64 -29.555 -6.677 -21.449 1.00 1.96 O ATOM 1000 OE2 GLU A 64 -30.207 -7.063 -23.496 1.00 1.83 O ATOM 0 H GLU A 64 -25.081 -7.168 -21.032 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.495 -7.606 -23.948 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -26.999 -5.978 -21.867 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.171 -5.679 -23.585 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -27.937 -8.007 -23.952 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.667 -8.390 -22.264 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.419 -5.380 -24.595 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.544 -4.260 -24.967 1.00 0.32 C ATOM 1009 C VAL A 65 -24.281 -2.917 -24.840 1.00 0.31 C ATOM 1010 O VAL A 65 -25.468 -2.811 -25.163 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.022 -4.448 -26.408 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -21.862 -3.489 -26.693 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.574 -5.895 -26.656 1.00 0.39 C ATOM 0 H VAL A 65 -24.889 -5.824 -25.384 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.697 -4.248 -24.281 1.00 0.32 H new ATOM 0 HB VAL A 65 -23.845 -4.222 -27.086 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.509 -3.638 -27.713 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.202 -2.460 -26.573 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.048 -3.685 -25.995 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.212 -5.994 -27.679 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -21.774 -6.152 -25.962 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.417 -6.568 -26.503 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.555 -1.899 -24.376 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.084 -0.544 -24.199 1.00 0.31 C ATOM 1025 C ALA A 66 -23.089 0.458 -24.794 1.00 0.34 C ATOM 1026 O ALA A 66 -22.214 0.988 -24.101 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.326 -0.260 -22.712 1.00 0.36 C ATOM 0 H ALA A 66 -22.575 -1.992 -24.110 1.00 0.25 H new ATOM 0 HA ALA A 66 -25.039 -0.448 -24.715 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.719 0.750 -22.594 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.045 -0.978 -22.317 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.386 -0.350 -22.167 1.00 0.36 H new ATOM 1033 N LEU A 67 -23.222 0.697 -26.098 1.00 0.55 N ATOM 1034 CA LEU A 67 -22.342 1.620 -26.828 1.00 0.71 C ATOM 1035 C LEU A 67 -22.820 3.069 -26.673 1.00 0.89 C ATOM 1036 O LEU A 67 -22.005 3.987 -26.579 1.00 1.22 O ATOM 1037 CB LEU A 67 -22.291 1.237 -28.321 1.00 0.76 C ATOM 1038 CG LEU A 67 -20.850 1.018 -28.798 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -20.836 0.429 -30.206 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -20.052 2.323 -28.765 1.00 1.39 C ATOM 0 H LEU A 67 -23.938 0.261 -26.679 1.00 0.55 H new ATOM 0 HA LEU A 67 -21.340 1.542 -26.405 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -22.871 0.329 -28.484 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -22.756 2.024 -28.915 1.00 0.76 H new ATOM 0 HG LEU A 67 -20.377 0.312 -28.115 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -19.805 0.280 -30.528 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -21.358 -0.528 -30.205 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -21.335 1.114 -30.892 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -19.035 2.136 -29.108 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -20.526 3.056 -29.417 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -20.026 2.708 -27.746 1.00 1.39 H new ATOM 1052 N ASP A 68 -24.143 3.260 -26.657 1.00 0.90 N ATOM 1053 CA ASP A 68 -24.756 4.589 -26.521 1.00 1.14 C ATOM 1054 C ASP A 68 -25.465 4.708 -25.167 1.00 0.87 C ATOM 1055 O ASP A 68 -26.690 4.577 -25.084 1.00 1.00 O ATOM 1056 CB ASP A 68 -25.755 4.826 -27.678 1.00 1.59 C ATOM 1057 CG ASP A 68 -26.325 6.251 -27.651 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -25.810 7.094 -26.883 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -27.281 6.536 -28.400 1.00 2.62 O ATOM 0 H ASP A 68 -24.819 2.501 -26.738 1.00 0.90 H new ATOM 0 HA ASP A 68 -23.976 5.349 -26.569 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -25.256 4.651 -28.631 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -26.571 4.106 -27.608 1.00 1.59 H new ATOM 1064 N TYR A 69 -24.692 4.964 -24.112 1.00 0.81 N ATOM 1065 CA TYR A 69 -25.226 5.128 -22.761 1.00 0.69 C ATOM 1066 C TYR A 69 -24.933 6.553 -22.283 1.00 0.97 C ATOM 1067 O TYR A 69 -24.047 6.777 -21.455 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.604 4.095 -21.813 1.00 0.58 C ATOM 1069 CG TYR A 69 -25.167 4.185 -20.407 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.538 4.150 -20.203 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.313 4.272 -19.315 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -27.048 4.201 -18.915 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.827 4.328 -18.033 1.00 0.64 C ATOM 1074 CZ TYR A 69 -26.195 4.406 -17.849 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.697 4.341 -16.562 1.00 0.97 O ATOM 0 H TYR A 69 -23.679 5.063 -24.170 1.00 0.81 H new ATOM 0 HA TYR A 69 -26.304 4.966 -22.768 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -24.778 3.094 -22.207 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.524 4.241 -21.779 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -27.208 4.083 -21.047 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.244 4.296 -19.468 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -28.108 4.081 -18.746 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -24.164 4.311 -17.181 1.00 0.64 H new ATOM 0 HH TYR A 69 -27.324 3.591 -16.493 1.00 0.97 H new ATOM 1173 N HIS A 74 -17.100 2.518 -24.269 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.613 1.144 -24.394 1.00 0.38 C ATOM 1175 C HIS A 74 -18.090 0.639 -23.031 1.00 0.30 C ATOM 1176 O HIS A 74 -17.280 0.447 -22.118 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.507 0.219 -24.947 1.00 0.64 C ATOM 1178 CG HIS A 74 -16.512 0.090 -26.443 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -16.522 1.159 -27.304 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -16.500 -1.002 -27.247 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -16.513 0.755 -28.554 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -16.501 -0.567 -28.557 1.00 1.53 N ATOM 0 HA HIS A 74 -18.456 1.139 -25.085 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.536 0.599 -24.628 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.622 -0.771 -24.507 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -16.491 -2.031 -26.920 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -16.515 1.391 -29.427 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -16.494 -1.163 -29.385 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.401 0.418 -22.905 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.009 -0.075 -21.664 1.00 0.23 C ATOM 1192 C VAL A 75 -20.818 -1.338 -21.970 1.00 0.22 C ATOM 1193 O VAL A 75 -21.233 -1.558 -23.110 1.00 0.26 O ATOM 1194 CB VAL A 75 -20.921 1.019 -21.064 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.598 0.557 -19.766 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.131 2.304 -20.810 1.00 0.31 C ATOM 0 H VAL A 75 -20.071 0.575 -23.658 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.232 -0.316 -20.939 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.703 1.217 -21.797 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.229 1.358 -19.380 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.210 -0.322 -19.968 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.836 0.307 -19.027 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.793 3.060 -20.388 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.320 2.100 -20.111 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.717 2.668 -21.750 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.056 -2.155 -20.951 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.844 -3.376 -21.097 1.00 0.23 C ATOM 1208 C PHE A 76 -22.651 -3.607 -19.821 1.00 0.22 C ATOM 1209 O PHE A 76 -22.169 -3.358 -18.712 1.00 0.27 O ATOM 1210 CB PHE A 76 -20.964 -4.592 -21.449 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.921 -4.976 -20.415 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -20.247 -5.853 -19.391 1.00 0.27 C ATOM 1213 CD2 PHE A 76 -18.628 -4.484 -20.512 1.00 0.26 C ATOM 1214 CE1 PHE A 76 -19.288 -6.232 -18.466 1.00 0.29 C ATOM 1215 CE2 PHE A 76 -17.667 -4.864 -19.591 1.00 0.28 C ATOM 1216 CZ PHE A 76 -17.997 -5.739 -18.567 1.00 0.29 C ATOM 0 H PHE A 76 -20.711 -1.993 -20.005 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.532 -3.253 -21.933 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.614 -5.450 -21.617 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.456 -4.388 -22.391 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -21.252 -6.242 -19.315 1.00 0.27 H new ATOM 0 HD2 PHE A 76 -18.370 -3.802 -21.309 1.00 0.26 H new ATOM 0 HE1 PHE A 76 -19.546 -6.911 -17.667 1.00 0.29 H new ATOM 0 HE2 PHE A 76 -16.661 -4.479 -19.670 1.00 0.28 H new ATOM 0 HZ PHE A 76 -17.248 -6.036 -17.848 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.886 -4.067 -19.989 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.791 -4.328 -18.874 1.00 0.28 C ATOM 1228 C LYS A 77 -24.652 -5.780 -18.439 1.00 0.31 C ATOM 1229 O LYS A 77 -24.996 -6.701 -19.185 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.235 -4.037 -19.285 1.00 0.36 C ATOM 1231 CG LYS A 77 -27.183 -4.108 -18.083 1.00 1.20 C ATOM 1232 CD LYS A 77 -28.471 -3.319 -18.327 1.00 1.33 C ATOM 1233 CE LYS A 77 -29.382 -4.027 -19.331 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.819 -5.365 -18.837 1.00 1.95 N ATOM 0 H LYS A 77 -24.289 -4.270 -20.904 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.531 -3.675 -18.041 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.294 -3.048 -19.739 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.551 -4.754 -20.043 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -27.429 -5.149 -17.875 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.679 -3.717 -17.199 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -29.001 -3.186 -17.384 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -28.224 -2.324 -18.697 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -30.258 -3.408 -19.526 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -28.857 -4.144 -20.279 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -30.831 -5.495 -19.037 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -29.272 -6.108 -19.318 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -29.658 -5.426 -17.811 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.142 -5.964 -17.232 1.00 0.23 N ATOM 1249 CA LEU A 78 -23.926 -7.287 -16.657 1.00 0.24 C ATOM 1250 C LEU A 78 -25.026 -7.594 -15.636 1.00 0.29 C ATOM 1251 O LEU A 78 -25.067 -7.005 -14.552 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.536 -7.333 -16.009 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.208 -8.712 -15.439 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -22.599 -9.831 -16.413 1.00 0.30 C ATOM 1255 CD2 LEU A 78 -20.728 -8.813 -15.077 1.00 0.86 C ATOM 0 H LEU A 78 -23.864 -5.198 -16.619 1.00 0.23 H new ATOM 0 HA LEU A 78 -23.971 -8.047 -17.437 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -21.783 -7.060 -16.749 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.484 -6.591 -15.212 1.00 0.30 H new ATOM 0 HG LEU A 78 -22.797 -8.838 -14.530 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -22.351 -10.798 -15.975 1.00 0.30 H new ATOM 0 HD12 LEU A 78 -23.670 -9.785 -16.609 1.00 0.30 H new ATOM 0 HD13 LEU A 78 -22.054 -9.706 -17.348 1.00 0.30 H new ATOM 0 HD21 LEU A 78 -20.519 -9.804 -14.673 1.00 0.86 H new ATOM 0 HD22 LEU A 78 -20.123 -8.650 -15.969 1.00 0.86 H new ATOM 0 HD23 LEU A 78 -20.484 -8.058 -14.330 1.00 0.86 H new ATOM 1267 N ARG A 79 -25.912 -8.519 -15.998 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.030 -8.935 -15.146 1.00 0.40 C ATOM 1269 C ARG A 79 -26.695 -10.278 -14.506 1.00 0.45 C ATOM 1270 O ARG A 79 -26.672 -11.314 -15.182 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.305 -9.032 -15.992 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.499 -9.600 -15.208 1.00 1.11 C ATOM 1273 CD ARG A 79 -29.944 -10.948 -15.788 1.00 1.51 C ATOM 1274 NE ARG A 79 -31.254 -11.338 -15.253 1.00 1.91 N ATOM 1275 CZ ARG A 79 -31.457 -12.504 -14.636 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -30.839 -12.772 -13.494 1.00 2.99 N ATOM 1277 NH2 ARG A 79 -32.261 -13.398 -15.181 1.00 2.93 N ATOM 0 H ARG A 79 -25.877 -9.005 -16.894 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.197 -8.203 -14.355 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.562 -8.042 -16.369 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.113 -9.663 -16.860 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.225 -9.723 -14.160 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -30.329 -8.894 -15.240 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -29.995 -10.883 -16.875 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -29.206 -11.714 -15.549 1.00 1.51 H new ATOM 0 HE ARG A 79 -32.038 -10.694 -15.357 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -30.206 -12.086 -13.084 1.00 2.99 H new ATOM 0 HH12 ARG A 79 -30.997 -13.664 -13.026 1.00 2.99 H new ATOM 0 HH21 ARG A 79 -32.722 -13.196 -16.068 1.00 2.93 H new ATOM 0 HH22 ARG A 79 -32.421 -14.291 -14.715 1.00 2.93 H new ATOM 1291 N LEU A 80 -26.411 -10.247 -13.207 1.00 0.54 N ATOM 1292 CA LEU A 80 -26.043 -11.439 -12.449 1.00 0.68 C ATOM 1293 C LEU A 80 -27.228 -12.375 -12.241 1.00 0.84 C ATOM 1294 O LEU A 80 -28.391 -11.990 -12.402 1.00 1.06 O ATOM 1295 CB LEU A 80 -25.462 -11.029 -11.096 1.00 0.82 C ATOM 1296 CG LEU A 80 -24.120 -10.332 -11.286 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -24.314 -8.846 -11.507 1.00 1.26 C ATOM 1298 CD2 LEU A 80 -23.189 -10.591 -10.105 1.00 1.06 C ATOM 0 H LEU A 80 -26.430 -9.393 -12.649 1.00 0.54 H new ATOM 0 HA LEU A 80 -25.295 -11.981 -13.028 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -26.155 -10.364 -10.581 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -25.336 -11.909 -10.465 1.00 0.82 H new ATOM 0 HG LEU A 80 -23.649 -10.750 -12.176 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -23.343 -8.368 -11.640 1.00 1.26 H new ATOM 0 HD12 LEU A 80 -24.922 -8.687 -12.398 1.00 1.26 H new ATOM 0 HD13 LEU A 80 -24.816 -8.412 -10.642 1.00 1.26 H new ATOM 0 HD21 LEU A 80 -22.240 -10.081 -10.271 1.00 1.06 H new ATOM 0 HD22 LEU A 80 -23.648 -10.215 -9.191 1.00 1.06 H new ATOM 0 HD23 LEU A 80 -23.013 -11.662 -10.009 1.00 1.06 H new ATOM 1310 N SER A 81 -26.906 -13.606 -11.861 1.00 1.01 N ATOM 1311 CA SER A 81 -27.899 -14.652 -11.603 1.00 1.23 C ATOM 1312 C SER A 81 -28.459 -14.537 -10.177 1.00 1.40 C ATOM 1313 O SER A 81 -28.679 -15.540 -9.494 1.00 1.92 O ATOM 1314 CB SER A 81 -27.255 -16.028 -11.825 1.00 1.52 C ATOM 1315 OG SER A 81 -25.916 -16.053 -11.335 1.00 2.18 O ATOM 0 H SER A 81 -25.943 -13.912 -11.721 1.00 1.01 H new ATOM 0 HA SER A 81 -28.733 -14.530 -12.294 1.00 1.23 H new ATOM 0 HB2 SER A 81 -27.844 -16.794 -11.321 1.00 1.52 H new ATOM 0 HB3 SER A 81 -27.261 -16.269 -12.888 1.00 1.52 H new ATOM 0 HG SER A 81 -25.418 -16.771 -11.780 1.00 2.18 H new ATOM 1321 N ASP A 82 -28.689 -13.302 -9.739 1.00 1.33 N ATOM 1322 CA ASP A 82 -29.228 -13.020 -8.407 1.00 1.76 C ATOM 1323 C ASP A 82 -30.372 -12.011 -8.540 1.00 1.31 C ATOM 1324 O ASP A 82 -31.529 -12.403 -8.692 1.00 1.74 O ATOM 1325 CB ASP A 82 -28.108 -12.498 -7.486 1.00 2.76 C ATOM 1326 CG ASP A 82 -28.565 -12.482 -6.032 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -28.783 -13.570 -5.464 1.00 3.77 O ATOM 1328 OD2 ASP A 82 -28.710 -11.383 -5.459 1.00 3.98 O ATOM 0 H ASP A 82 -28.508 -12.467 -10.296 1.00 1.33 H new ATOM 0 HA ASP A 82 -29.621 -13.931 -7.956 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -27.225 -13.129 -7.587 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -27.819 -11.493 -7.792 1.00 2.76 H new ATOM 1333 N GLY A 83 -30.044 -10.723 -8.506 1.00 1.09 N ATOM 1334 CA GLY A 83 -31.035 -9.654 -8.637 1.00 1.53 C ATOM 1335 C GLY A 83 -30.336 -8.298 -8.628 1.00 1.31 C ATOM 1336 O GLY A 83 -30.770 -7.369 -7.912 1.00 1.88 O ATOM 0 H GLY A 83 -29.088 -10.389 -8.387 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -31.597 -9.778 -9.563 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -31.753 -9.709 -7.819 1.00 1.53 H new ATOM 1340 N ASN A 84 -29.242 -8.192 -9.425 1.00 0.93 N ATOM 1341 CA ASN A 84 -28.449 -6.965 -9.524 1.00 0.71 C ATOM 1342 C ASN A 84 -27.985 -6.809 -10.966 1.00 0.62 C ATOM 1343 O ASN A 84 -27.633 -7.806 -11.618 1.00 0.65 O ATOM 1344 CB ASN A 84 -27.207 -7.003 -8.596 1.00 0.84 C ATOM 1345 CG ASN A 84 -27.520 -7.579 -7.209 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -27.686 -8.792 -7.060 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -27.570 -6.729 -6.190 1.00 1.32 N ATOM 0 H ASN A 84 -28.897 -8.955 -10.008 1.00 0.93 H new ATOM 0 HA ASN A 84 -29.072 -6.126 -9.214 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -26.426 -7.602 -9.065 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -26.811 -5.994 -8.485 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -27.750 -7.073 -5.247 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -27.428 -5.732 -6.350 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.984 -5.568 -11.447 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.564 -5.228 -12.807 1.00 0.55 C ATOM 1356 C GLU A 85 -26.554 -4.084 -12.738 1.00 0.47 C ATOM 1357 O GLU A 85 -26.893 -2.969 -12.322 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.781 -4.812 -13.642 1.00 0.70 C ATOM 1359 CG GLU A 85 -29.625 -6.019 -14.054 1.00 1.16 C ATOM 1360 CD GLU A 85 -30.635 -5.613 -15.116 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -31.675 -5.024 -14.763 1.00 1.39 O ATOM 1362 OE2 GLU A 85 -30.399 -5.891 -16.308 1.00 1.43 O ATOM 0 H GLU A 85 -28.278 -4.760 -10.898 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.102 -6.095 -13.280 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.395 -4.117 -13.069 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.446 -4.281 -14.533 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -28.980 -6.809 -14.438 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -30.143 -6.424 -13.185 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.314 -4.362 -13.134 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.244 -3.360 -13.107 1.00 0.31 C ATOM 1371 C TYR A 86 -23.769 -3.029 -14.519 1.00 0.29 C ATOM 1372 O TYR A 86 -23.632 -3.914 -15.369 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.040 -3.861 -12.288 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.401 -4.539 -10.985 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -24.072 -3.827 -10.007 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -23.083 -5.871 -10.769 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -24.423 -4.437 -8.817 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -23.432 -6.483 -9.574 1.00 0.62 C ATOM 1379 CZ TYR A 86 -24.017 -5.799 -8.601 1.00 0.63 C ATOM 1380 OH TYR A 86 -24.459 -6.362 -7.417 1.00 0.77 O ATOM 0 H TYR A 86 -25.022 -5.276 -13.479 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.655 -2.464 -12.641 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.467 -4.559 -12.899 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.387 -3.015 -12.073 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -24.323 -2.790 -10.174 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -22.563 -6.432 -11.531 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -24.989 -3.903 -8.068 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -23.224 -7.533 -9.434 1.00 0.62 H new ATOM 0 HH TYR A 86 -24.138 -7.286 -7.354 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.469 -1.754 -14.739 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.946 -1.278 -16.016 1.00 0.23 C ATOM 1392 C LEU A 87 -21.429 -1.234 -15.895 1.00 0.22 C ATOM 1393 O LEU A 87 -20.893 -0.505 -15.053 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.471 0.123 -16.359 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.995 0.214 -16.290 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.470 1.544 -16.863 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.655 -0.954 -17.027 1.00 0.38 C ATOM 0 H LEU A 87 -23.581 -1.021 -14.038 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.269 -1.949 -16.812 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -23.036 0.848 -15.671 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.140 0.396 -17.361 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.290 0.156 -15.242 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.557 1.596 -16.808 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -25.038 2.363 -16.288 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -25.155 1.625 -17.903 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.739 -0.861 -16.960 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.354 -0.940 -18.074 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.343 -1.894 -16.572 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.745 -2.028 -16.707 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.287 -2.100 -16.676 1.00 0.19 C ATOM 1411 C PHE A 88 -18.690 -1.394 -17.885 1.00 0.20 C ATOM 1412 O PHE A 88 -18.982 -1.740 -19.029 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.854 -3.558 -16.646 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.957 -4.170 -15.265 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -18.072 -3.791 -14.267 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.930 -5.118 -15.000 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -18.164 -4.361 -13.007 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -20.025 -5.684 -13.747 1.00 0.25 C ATOM 1419 CZ PHE A 88 -19.141 -5.310 -12.748 1.00 0.22 C ATOM 0 H PHE A 88 -21.179 -2.637 -17.401 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.924 -1.598 -15.779 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.470 -4.130 -17.339 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.825 -3.634 -16.997 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.311 -3.052 -14.471 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.617 -5.415 -15.778 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.476 -4.066 -12.228 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.789 -6.420 -13.544 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.213 -5.758 -11.768 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.847 -0.399 -17.619 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.189 0.379 -18.673 1.00 0.26 C ATOM 1431 C GLN A 89 -15.761 -0.131 -18.882 1.00 0.22 C ATOM 1432 O GLN A 89 -14.951 -0.152 -17.943 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.179 1.864 -18.289 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.573 2.756 -19.388 1.00 0.52 C ATOM 1435 CD GLN A 89 -15.650 3.802 -18.768 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -16.098 4.866 -18.341 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -14.362 3.502 -18.710 1.00 1.63 N ATOM 0 H GLN A 89 -17.600 -0.108 -16.673 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.739 0.262 -19.607 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.199 2.189 -18.084 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.612 1.993 -17.367 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -16.016 2.144 -20.098 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.369 3.248 -19.947 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -14.029 2.609 -19.075 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -13.702 4.163 -18.300 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.467 -0.523 -20.124 1.00 0.22 N ATOM 1447 CA ALA A 90 -14.147 -1.027 -20.521 1.00 0.24 C ATOM 1448 C ALA A 90 -13.335 0.101 -21.162 1.00 0.27 C ATOM 1449 O ALA A 90 -13.846 1.206 -21.389 1.00 0.32 O ATOM 1450 CB ALA A 90 -14.317 -2.186 -21.514 1.00 0.29 C ATOM 0 H ALA A 90 -16.142 -0.500 -20.889 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.616 -1.388 -19.640 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -13.336 -2.560 -21.808 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.885 -2.988 -21.043 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.851 -1.834 -22.397 1.00 0.29 H new ATOM 1456 N LYS A 91 -12.071 -0.179 -21.459 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.182 0.808 -22.080 1.00 0.44 C ATOM 1458 C LYS A 91 -11.394 0.841 -23.590 1.00 0.49 C ATOM 1459 O LYS A 91 -11.514 1.913 -24.178 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.712 0.491 -21.771 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.341 0.921 -20.350 1.00 1.26 C ATOM 1462 CD LYS A 91 -9.479 -0.226 -19.346 1.00 1.43 C ATOM 1463 CE LYS A 91 -8.355 -1.256 -19.490 1.00 1.86 C ATOM 1464 NZ LYS A 91 -7.004 -0.637 -19.342 1.00 2.29 N ATOM 0 H LYS A 91 -11.634 -1.083 -21.281 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.424 1.786 -21.664 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.535 -0.578 -21.888 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.069 1.001 -22.488 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -8.315 1.290 -20.340 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -9.980 1.749 -20.044 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -9.473 0.177 -18.333 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -10.441 -0.718 -19.488 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -8.480 -2.036 -18.739 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -8.428 -1.738 -20.465 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -6.308 -1.374 -19.108 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -6.734 -0.176 -20.234 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -7.028 0.071 -18.581 1.00 2.29 H new ATOM 1478 N ASP A 92 -11.429 -0.332 -24.215 1.00 0.49 N ATOM 1479 CA ASP A 92 -11.620 -0.421 -25.674 1.00 0.66 C ATOM 1480 C ASP A 92 -12.444 -1.656 -26.067 1.00 0.59 C ATOM 1481 O ASP A 92 -12.886 -2.435 -25.217 1.00 0.75 O ATOM 1482 CB ASP A 92 -10.250 -0.446 -26.384 1.00 0.84 C ATOM 1483 CG ASP A 92 -10.295 0.272 -27.736 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -11.409 0.546 -28.229 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -9.225 0.566 -28.308 1.00 2.01 O ATOM 0 H ASP A 92 -11.329 -1.232 -23.746 1.00 0.49 H new ATOM 0 HA ASP A 92 -12.177 0.460 -25.991 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -9.502 0.026 -25.747 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.936 -1.479 -26.532 1.00 0.84 H new ATOM 1490 N ASP A 93 -12.648 -1.798 -27.380 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.426 -2.896 -27.986 1.00 0.63 C ATOM 1492 C ASP A 93 -12.871 -4.280 -27.621 1.00 0.49 C ATOM 1493 O ASP A 93 -13.624 -5.154 -27.183 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.436 -2.716 -29.514 1.00 0.83 C ATOM 1495 CG ASP A 93 -14.312 -3.763 -30.201 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -15.551 -3.606 -30.195 1.00 2.21 O ATOM 1497 OD2 ASP A 93 -13.766 -4.751 -30.732 1.00 2.13 O ATOM 0 H ASP A 93 -12.273 -1.145 -28.068 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.440 -2.849 -27.590 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -13.800 -1.719 -29.760 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -12.417 -2.787 -29.895 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.563 -4.477 -27.816 1.00 0.41 N ATOM 1503 CA GLU A 94 -10.905 -5.763 -27.520 1.00 0.41 C ATOM 1504 C GLU A 94 -11.192 -6.204 -26.083 1.00 0.36 C ATOM 1505 O GLU A 94 -11.627 -7.330 -25.847 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.386 -5.668 -27.736 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.033 -4.994 -29.066 1.00 1.21 C ATOM 1508 CD GLU A 94 -9.003 -3.481 -28.907 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -8.033 -2.963 -28.324 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -9.938 -2.806 -29.381 1.00 2.59 O ATOM 0 H GLU A 94 -10.933 -3.762 -28.179 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.312 -6.505 -28.207 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -8.938 -5.107 -26.916 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -8.954 -6.668 -27.711 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -8.062 -5.348 -29.413 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -9.764 -5.271 -29.826 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.958 -5.298 -25.130 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.196 -5.574 -23.711 1.00 0.29 C ATOM 1519 C GLU A 95 -12.672 -5.912 -23.463 1.00 0.24 C ATOM 1520 O GLU A 95 -12.987 -6.899 -22.797 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.784 -4.365 -22.867 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.392 -4.788 -21.449 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.672 -3.673 -20.451 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.970 -2.547 -20.891 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -10.590 -3.924 -19.232 1.00 1.30 O ATOM 0 H GLU A 95 -10.602 -4.361 -25.318 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.594 -6.435 -23.421 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.946 -3.855 -23.342 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.607 -3.652 -22.822 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.947 -5.682 -21.166 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.334 -5.048 -21.422 1.00 0.42 H new ATOM 1532 N MET A 96 -13.572 -5.091 -24.016 1.00 0.24 N ATOM 1533 CA MET A 96 -15.024 -5.296 -23.874 1.00 0.22 C ATOM 1534 C MET A 96 -15.437 -6.678 -24.401 1.00 0.22 C ATOM 1535 O MET A 96 -16.205 -7.390 -23.752 1.00 0.23 O ATOM 1536 CB MET A 96 -15.786 -4.195 -24.625 1.00 0.26 C ATOM 1537 CG MET A 96 -17.272 -4.168 -24.243 1.00 0.39 C ATOM 1538 SD MET A 96 -18.319 -3.578 -25.584 1.00 0.94 S ATOM 1539 CE MET A 96 -17.989 -4.815 -26.854 1.00 0.77 C ATOM 0 H MET A 96 -13.321 -4.272 -24.570 1.00 0.24 H new ATOM 0 HA MET A 96 -15.275 -5.246 -22.815 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.336 -3.227 -24.405 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.690 -4.354 -25.699 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.588 -5.171 -23.954 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.408 -3.528 -23.372 1.00 0.39 H new ATOM 0 HE1 MET A 96 -18.892 -4.985 -27.440 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.193 -4.461 -27.509 1.00 0.77 H new ATOM 0 HE3 MET A 96 -17.682 -5.748 -26.382 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.909 -7.056 -25.570 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.206 -8.360 -26.184 1.00 0.28 C ATOM 1551 C ASN A 97 -14.718 -9.500 -25.277 1.00 0.26 C ATOM 1552 O ASN A 97 -15.443 -10.467 -25.034 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.547 -8.445 -27.572 1.00 0.35 C ATOM 1554 CG ASN A 97 -14.892 -9.758 -28.291 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -16.160 -10.151 -28.272 1.00 1.05 O flip ATOM 1556 ND2 ASN A 97 -14.015 -10.409 -28.862 1.00 1.24 N flip ATOM 0 H ASN A 97 -14.270 -6.476 -26.114 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.285 -8.461 -26.304 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.873 -7.601 -28.181 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.465 -8.363 -27.466 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -13.050 -10.079 -28.857 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -14.254 -11.278 -29.339 1.00 1.24 H new ATOM 1563 N THR A 98 -13.492 -9.365 -24.765 1.00 0.25 N ATOM 1564 CA THR A 98 -12.897 -10.364 -23.868 1.00 0.27 C ATOM 1565 C THR A 98 -13.703 -10.478 -22.559 1.00 0.23 C ATOM 1566 O THR A 98 -13.935 -11.578 -22.065 1.00 0.27 O ATOM 1567 CB THR A 98 -11.435 -9.982 -23.580 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.748 -9.743 -24.803 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.707 -11.071 -22.782 1.00 0.39 C ATOM 0 H THR A 98 -12.886 -8.567 -24.957 1.00 0.25 H new ATOM 0 HA THR A 98 -12.923 -11.339 -24.354 1.00 0.27 H new ATOM 0 HB THR A 98 -11.443 -9.075 -22.976 1.00 0.31 H new ATOM 0 HG1 THR A 98 -10.964 -8.845 -25.130 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.678 -10.762 -22.600 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.214 -11.224 -21.829 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.711 -12.002 -23.349 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.131 -9.337 -22.007 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.909 -9.306 -20.758 1.00 0.20 C ATOM 1579 C TRP A 99 -16.264 -10.007 -20.929 1.00 0.21 C ATOM 1580 O TRP A 99 -16.607 -10.905 -20.162 1.00 0.24 O ATOM 1581 CB TRP A 99 -15.146 -7.849 -20.312 1.00 0.21 C ATOM 1582 CG TRP A 99 -14.028 -7.270 -19.485 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.299 -6.142 -19.757 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.525 -7.779 -18.226 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.380 -5.958 -18.760 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.491 -6.930 -17.813 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.848 -8.877 -17.418 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.788 -7.144 -16.635 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -13.151 -9.093 -16.237 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -12.131 -8.235 -15.851 1.00 0.29 C ATOM 0 H TRP A 99 -13.951 -8.416 -22.407 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.334 -9.835 -19.998 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.289 -7.228 -21.196 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -16.071 -7.802 -19.737 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.429 -5.503 -20.618 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.703 -5.196 -18.730 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.637 -9.553 -17.713 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.993 -6.477 -16.336 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.405 -9.937 -15.613 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.598 -8.419 -14.930 1.00 0.29 H new ATOM 1601 N ILE A 100 -17.030 -9.576 -21.931 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.363 -10.134 -22.209 1.00 0.24 C ATOM 1603 C ILE A 100 -18.306 -11.655 -22.470 1.00 0.28 C ATOM 1604 O ILE A 100 -19.070 -12.417 -21.871 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.991 -9.381 -23.395 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.280 -7.924 -23.008 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.280 -10.056 -23.878 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.739 -7.107 -24.215 1.00 0.29 C ATOM 0 H ILE A 100 -16.750 -8.834 -22.573 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.990 -9.997 -21.328 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.272 -9.404 -24.214 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.048 -7.897 -22.235 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.383 -7.474 -22.582 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.693 -9.494 -24.716 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -20.060 -11.075 -24.197 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -21.005 -10.079 -23.065 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -19.935 -6.080 -23.906 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -18.960 -7.114 -24.977 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.650 -7.543 -24.624 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.400 -12.097 -23.348 1.00 0.29 N ATOM 1621 CA GLN A 101 -17.263 -13.530 -23.666 1.00 0.35 C ATOM 1622 C GLN A 101 -16.722 -14.319 -22.461 1.00 0.36 C ATOM 1623 O GLN A 101 -17.139 -15.459 -22.218 1.00 0.43 O ATOM 1624 CB GLN A 101 -16.364 -13.719 -24.894 1.00 0.40 C ATOM 1625 CG GLN A 101 -17.104 -13.309 -26.177 1.00 0.48 C ATOM 1626 CD GLN A 101 -16.389 -13.844 -27.415 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -16.275 -15.157 -27.515 1.00 1.81 O flip ATOM 1628 NE2 GLN A 101 -15.960 -13.080 -28.277 1.00 1.76 N flip ATOM 0 H GLN A 101 -16.752 -11.491 -23.851 1.00 0.29 H new ATOM 0 HA GLN A 101 -18.253 -13.924 -23.898 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -15.459 -13.122 -24.784 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -16.052 -14.761 -24.965 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -18.125 -13.689 -26.150 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -17.170 -12.222 -26.232 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -16.067 -12.072 -28.164 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -15.497 -13.454 -29.105 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.824 -13.706 -21.687 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.263 -14.349 -20.489 1.00 0.37 C ATOM 1639 C ALA A 102 -16.342 -14.486 -19.413 1.00 0.38 C ATOM 1640 O ALA A 102 -16.349 -15.452 -18.650 1.00 0.48 O ATOM 1641 CB ALA A 102 -14.087 -13.538 -19.943 1.00 0.38 C ATOM 0 H ALA A 102 -15.468 -12.767 -21.865 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.904 -15.340 -20.767 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.686 -14.030 -19.057 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.309 -13.469 -20.703 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.427 -12.537 -19.679 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.269 -13.523 -19.376 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.379 -13.531 -18.418 1.00 0.38 C ATOM 1649 C ILE A 103 -19.335 -14.687 -18.752 1.00 0.47 C ATOM 1650 O ILE A 103 -19.833 -15.363 -17.854 1.00 0.55 O ATOM 1651 CB ILE A 103 -19.094 -12.163 -18.447 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -18.297 -11.145 -17.615 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.539 -12.252 -17.937 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.468 -9.719 -18.126 1.00 0.35 C ATOM 0 H ILE A 103 -17.271 -12.720 -20.006 1.00 0.33 H new ATOM 0 HA ILE A 103 -18.006 -13.690 -17.406 1.00 0.38 H new ATOM 0 HB ILE A 103 -19.141 -11.835 -19.485 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.620 -11.197 -16.575 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -17.240 -11.411 -17.634 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -21.000 -11.265 -17.976 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -21.104 -12.942 -18.564 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.540 -12.612 -16.908 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.886 -9.038 -17.505 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -18.120 -9.658 -19.157 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.521 -9.440 -18.081 1.00 0.35 H new ATOM 1666 N SER A 104 -19.558 -14.926 -20.052 1.00 0.53 N ATOM 1667 CA SER A 104 -20.421 -16.020 -20.510 1.00 0.66 C ATOM 1668 C SER A 104 -19.796 -17.378 -20.149 1.00 0.72 C ATOM 1669 O SER A 104 -20.497 -18.314 -19.765 1.00 0.89 O ATOM 1670 CB SER A 104 -20.629 -15.923 -22.028 1.00 0.81 C ATOM 1671 OG SER A 104 -20.936 -14.589 -22.416 1.00 1.05 O ATOM 0 H SER A 104 -19.150 -14.373 -20.806 1.00 0.53 H new ATOM 0 HA SER A 104 -21.388 -15.937 -20.013 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.729 -16.258 -22.544 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.437 -16.589 -22.331 1.00 0.81 H new ATOM 0 HG SER A 104 -20.143 -14.024 -22.301 1.00 1.05 H new ATOM 1677 N SER A 105 -18.463 -17.461 -20.260 1.00 0.80 N ATOM 1678 CA SER A 105 -17.717 -18.682 -19.933 1.00 1.13 C ATOM 1679 C SER A 105 -17.676 -18.886 -18.408 1.00 1.23 C ATOM 1680 O SER A 105 -17.947 -19.980 -17.911 1.00 1.61 O ATOM 1681 CB SER A 105 -16.291 -18.591 -20.501 1.00 1.48 C ATOM 1682 OG SER A 105 -16.302 -18.092 -21.839 1.00 1.63 O ATOM 0 H SER A 105 -17.876 -16.689 -20.577 1.00 0.80 H new ATOM 0 HA SER A 105 -18.220 -19.538 -20.383 1.00 1.13 H new ATOM 0 HB2 SER A 105 -15.686 -17.939 -19.871 1.00 1.48 H new ATOM 0 HB3 SER A 105 -15.824 -19.576 -20.481 1.00 1.48 H new ATOM 0 HG SER A 105 -16.459 -17.125 -21.826 1.00 1.63 H new ATOM 1688 N ALA A 106 -17.350 -17.811 -17.677 1.00 1.29 N ATOM 1689 CA ALA A 106 -17.277 -17.820 -16.205 1.00 1.59 C ATOM 1690 C ALA A 106 -16.266 -18.855 -15.699 1.00 2.40 C ATOM 1691 O ALA A 106 -16.551 -19.542 -14.700 1.00 3.00 O ATOM 1692 CB ALA A 106 -18.662 -18.084 -15.606 1.00 1.90 C ATOM 1693 OXT ALA A 106 -15.180 -18.976 -16.301 1.00 3.05 O ATOM 0 H ALA A 106 -17.128 -16.905 -18.090 1.00 1.29 H new ATOM 0 HA ALA A 106 -16.934 -16.838 -15.881 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -18.593 -18.088 -14.518 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -19.351 -17.301 -15.923 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -19.029 -19.051 -15.950 1.00 1.90 H new