USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=24 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 : amide:sc= 0 K(o=0,f=-0.66) USER MOD Set 1.2: A 101 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Set 2.1: A 84 ASN : amide:sc= 0.814 K(o=1.8,f=-2.2!) USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= 1.02 USER MOD Set 3.1: A 24 HIS : no HE2:sc= 1.05 K(o=2.4,f=-3.1!) USER MOD Set 3.2: A 50 TYR OH : rot -80:sc= 1.33 USER MOD Single : A 6 ASN :FLIP amide:sc= 0.829 F(o=-0.58,f=0.83) USER MOD Single : A 8 LYS NZ :NH3+ 165:sc= 0.681 (180deg=0.547) USER MOD Single : A 9 HIS :FLIP no HD1:sc= 0.262 F(o=-1.8!,f=0.26) USER MOD Single : A 22 SER OG : rot 36:sc= 0.108 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -73:sc= 0.587 USER MOD Single : A 31 ASN : amide:sc= -1.46 K(o=-1.5,f=-3.4!) USER MOD Single : A 32 ASN : amide:sc= 0.61 K(o=0.61,f=-0.43) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl 168:sc= -1.29 (180deg=-1.58) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 78:sc= 0.704 USER MOD Single : A 46 SER OG : rot 83:sc= 0.104 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 160:sc= -0.322 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -3.45! C(o=-3.4!,f=-3.3!) USER MOD Single : A 77 LYS NZ :NH3+ -132:sc= 1.22 (180deg=-1.2) USER MOD Single : A 81 SER OG : rot -130:sc= 0.0561 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0.43) USER MOD Single : A 91 LYS NZ :NH3+ 154:sc= 1.31! (180deg=0.559) USER MOD Single : A 96 MET CE :methyl -140:sc= 0 (180deg=-1.02) USER MOD Single : A 98 THR OG1 : rot 93:sc= 1.19 USER MOD Single : A 104 SER OG : rot 77:sc= 0.761 USER MOD Single : A 105 SER OG : rot 101:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -8.015 -10.715 -15.407 1.00 0.51 N ATOM 21 CA GLU A 2 -7.973 -9.716 -14.333 1.00 0.37 C ATOM 22 C GLU A 2 -7.705 -8.333 -14.930 1.00 0.34 C ATOM 23 O GLU A 2 -7.010 -8.214 -15.944 1.00 0.48 O ATOM 24 CB GLU A 2 -6.862 -10.056 -13.317 1.00 0.53 C ATOM 25 CG GLU A 2 -6.698 -11.571 -13.091 1.00 0.96 C ATOM 26 CD GLU A 2 -5.650 -12.155 -14.038 1.00 1.61 C ATOM 27 OE1 GLU A 2 -4.486 -11.710 -13.998 1.00 2.09 O ATOM 28 OE2 GLU A 2 -5.991 -13.062 -14.819 1.00 2.16 O ATOM 0 HA GLU A 2 -8.934 -9.719 -13.819 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -5.917 -9.642 -13.668 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -7.087 -9.574 -12.366 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -6.405 -11.759 -12.058 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -7.654 -12.071 -13.247 1.00 0.96 H new ATOM 35 N GLY A 3 -8.247 -7.292 -14.305 1.00 0.25 N ATOM 36 CA GLY A 3 -8.053 -5.923 -14.785 1.00 0.28 C ATOM 37 C GLY A 3 -9.015 -4.948 -14.105 1.00 0.22 C ATOM 38 O GLY A 3 -9.896 -5.349 -13.335 1.00 0.22 O ATOM 0 H GLY A 3 -8.823 -7.367 -13.467 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -7.025 -5.613 -14.596 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.203 -5.890 -15.864 1.00 0.28 H new ATOM 42 N PHE A 4 -8.843 -3.662 -14.408 1.00 0.24 N ATOM 43 CA PHE A 4 -9.688 -2.600 -13.858 1.00 0.21 C ATOM 44 C PHE A 4 -10.949 -2.442 -14.701 1.00 0.22 C ATOM 45 O PHE A 4 -10.919 -2.622 -15.919 1.00 0.27 O ATOM 46 CB PHE A 4 -8.925 -1.276 -13.836 1.00 0.23 C ATOM 47 CG PHE A 4 -8.036 -1.130 -12.628 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.585 -0.763 -11.414 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.673 -1.359 -12.732 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.776 -0.621 -10.305 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.862 -1.217 -11.619 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.415 -0.846 -10.404 1.00 0.41 C ATOM 0 H PHE A 4 -8.116 -3.326 -15.040 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.966 -2.873 -12.840 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.319 -1.197 -14.738 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.638 -0.452 -13.858 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.648 -0.587 -11.333 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.244 -1.648 -13.680 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -8.207 -0.333 -9.357 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.800 -1.395 -11.698 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.784 -0.733 -9.535 1.00 0.41 H new ATOM 62 N LEU A 5 -12.042 -2.094 -14.045 1.00 0.19 N ATOM 63 CA LEU A 5 -13.331 -1.895 -14.707 1.00 0.21 C ATOM 64 C LEU A 5 -14.099 -0.774 -14.012 1.00 0.20 C ATOM 65 O LEU A 5 -14.037 -0.625 -12.788 1.00 0.21 O ATOM 66 CB LEU A 5 -14.165 -3.189 -14.653 1.00 0.23 C ATOM 67 CG LEU A 5 -13.930 -4.084 -15.872 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.523 -5.471 -15.631 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.532 -3.460 -17.135 1.00 0.31 C ATOM 0 H LEU A 5 -12.067 -1.940 -13.037 1.00 0.19 H new ATOM 0 HA LEU A 5 -13.151 -1.628 -15.748 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.916 -3.741 -13.747 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -15.223 -2.934 -14.591 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.855 -4.181 -16.021 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.349 -6.098 -16.506 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.049 -5.923 -14.760 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.595 -5.383 -15.455 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.351 -4.116 -17.987 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.606 -3.329 -17.000 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -14.068 -2.491 -17.319 1.00 0.31 H new ATOM 81 N ASN A 6 -14.860 -0.016 -14.792 1.00 0.22 N ATOM 82 CA ASN A 6 -15.690 1.062 -14.254 1.00 0.23 C ATOM 83 C ASN A 6 -17.039 0.449 -13.895 1.00 0.22 C ATOM 84 O ASN A 6 -17.667 -0.173 -14.743 1.00 0.26 O ATOM 85 CB ASN A 6 -15.830 2.202 -15.288 1.00 0.28 C ATOM 86 CG ASN A 6 -15.617 3.573 -14.634 1.00 0.72 C ATOM 87 OD1 ASN A 6 -14.484 3.753 -13.969 1.00 1.49 O flip ATOM 88 ND2 ASN A 6 -16.462 4.462 -14.741 1.00 1.24 N flip ATOM 0 H ASN A 6 -14.921 -0.127 -15.804 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.238 1.506 -13.367 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.104 2.061 -16.089 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.819 2.163 -15.744 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -17.322 4.288 -15.260 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -16.302 5.373 -14.310 1.00 1.24 H new ATOM 95 N ARG A 7 -17.449 0.560 -12.629 1.00 0.23 N ATOM 96 CA ARG A 7 -18.703 -0.054 -12.163 1.00 0.24 C ATOM 97 C ARG A 7 -19.739 0.986 -11.730 1.00 0.25 C ATOM 98 O ARG A 7 -19.461 1.850 -10.895 1.00 0.32 O ATOM 99 CB ARG A 7 -18.410 -0.998 -10.981 1.00 0.28 C ATOM 100 CG ARG A 7 -19.624 -1.875 -10.632 1.00 0.34 C ATOM 101 CD ARG A 7 -19.415 -2.659 -9.325 1.00 0.54 C ATOM 102 NE ARG A 7 -19.941 -1.927 -8.164 1.00 0.95 N ATOM 103 CZ ARG A 7 -20.989 -2.360 -7.457 1.00 1.16 C ATOM 104 NH1 ARG A 7 -20.862 -3.393 -6.643 1.00 1.46 N ATOM 105 NH2 ARG A 7 -22.155 -1.756 -7.569 1.00 1.71 N ATOM 0 H ARG A 7 -16.936 1.067 -11.908 1.00 0.23 H new ATOM 0 HA ARG A 7 -19.121 -0.608 -13.003 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.561 -1.635 -11.227 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -18.125 -0.410 -10.109 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.510 -1.247 -10.540 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.812 -2.574 -11.447 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -19.908 -3.628 -9.399 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.352 -2.853 -9.182 1.00 0.54 H new ATOM 0 HE ARG A 7 -19.489 -1.055 -7.887 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -19.961 -3.863 -6.552 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -21.665 -3.720 -6.105 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -22.258 -0.958 -8.196 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -22.955 -2.087 -7.029 1.00 1.71 H new ATOM 119 N LYS A 8 -20.947 0.847 -12.270 1.00 0.27 N ATOM 120 CA LYS A 8 -22.087 1.702 -11.931 1.00 0.29 C ATOM 121 C LYS A 8 -23.280 0.787 -11.731 1.00 0.29 C ATOM 122 O LYS A 8 -23.507 -0.120 -12.532 1.00 0.38 O ATOM 123 CB LYS A 8 -22.369 2.709 -13.041 1.00 0.36 C ATOM 124 CG LYS A 8 -23.510 3.665 -12.662 1.00 0.37 C ATOM 125 CD LYS A 8 -24.283 4.147 -13.894 1.00 0.50 C ATOM 126 CE LYS A 8 -25.734 3.648 -13.881 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.596 4.476 -12.991 1.00 1.02 N ATOM 0 H LYS A 8 -21.167 0.131 -12.963 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.876 2.276 -11.029 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.466 3.284 -13.249 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.628 2.178 -13.957 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -24.194 3.162 -11.978 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -23.102 4.524 -12.130 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.273 5.236 -13.928 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -23.785 3.795 -14.797 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.134 3.667 -14.895 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.759 2.610 -13.548 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.596 4.280 -13.196 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -26.394 4.243 -11.998 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -26.400 5.484 -13.157 1.00 1.02 H new ATOM 141 N HIS A 9 -24.024 0.989 -10.657 1.00 0.43 N ATOM 142 CA HIS A 9 -25.163 0.150 -10.349 1.00 0.52 C ATOM 143 C HIS A 9 -26.481 0.775 -10.803 1.00 0.58 C ATOM 144 O HIS A 9 -26.865 1.847 -10.345 1.00 0.73 O ATOM 145 CB HIS A 9 -25.212 -0.148 -8.842 1.00 0.68 C ATOM 146 CG HIS A 9 -24.807 0.974 -7.936 1.00 0.88 C ATOM 147 ND1 HIS A 9 -24.794 2.320 -8.094 1.00 1.21 N flip ATOM 148 CD2 HIS A 9 -24.358 0.764 -6.662 1.00 1.22 C flip ATOM 149 CE1 HIS A 9 -24.342 2.873 -6.914 1.00 1.69 C flip ATOM 150 NE2 HIS A 9 -24.084 1.890 -6.067 1.00 1.75 N flip ATOM 0 H HIS A 9 -23.855 1.734 -9.981 1.00 0.43 H new ATOM 0 HA HIS A 9 -25.037 -0.782 -10.901 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -26.228 -0.448 -8.584 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -24.566 -1.003 -8.640 1.00 0.68 H new ATOM 0 HD2 HIS A 9 -24.245 -0.209 -6.208 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -24.220 3.928 -6.716 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -23.732 1.995 -5.115 1.00 1.75 H new ATOM 158 N GLU A 10 -27.188 0.061 -11.671 1.00 0.60 N ATOM 159 CA GLU A 10 -28.494 0.489 -12.156 1.00 0.73 C ATOM 160 C GLU A 10 -29.540 0.023 -11.147 1.00 0.83 C ATOM 161 O GLU A 10 -30.432 0.776 -10.757 1.00 1.00 O ATOM 162 CB GLU A 10 -28.763 -0.129 -13.535 1.00 0.79 C ATOM 163 CG GLU A 10 -28.236 0.753 -14.669 1.00 1.28 C ATOM 164 CD GLU A 10 -29.064 2.023 -14.779 1.00 1.19 C ATOM 165 OE1 GLU A 10 -30.227 1.945 -15.227 1.00 1.72 O ATOM 166 OE2 GLU A 10 -28.562 3.096 -14.396 1.00 1.52 O ATOM 0 H GLU A 10 -26.873 -0.829 -12.057 1.00 0.60 H new ATOM 0 HA GLU A 10 -28.532 1.573 -12.259 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -28.293 -1.111 -13.591 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -29.835 -0.281 -13.662 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -27.192 1.006 -14.486 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -28.271 0.205 -15.611 1.00 1.28 H new ATOM 173 N TRP A 11 -29.389 -1.223 -10.706 1.00 0.82 N ATOM 174 CA TRP A 11 -30.273 -1.823 -9.720 1.00 0.96 C ATOM 175 C TRP A 11 -29.442 -2.700 -8.772 1.00 0.94 C ATOM 176 O TRP A 11 -29.074 -3.829 -9.108 1.00 0.84 O ATOM 177 CB TRP A 11 -31.374 -2.643 -10.411 1.00 1.08 C ATOM 178 CG TRP A 11 -32.437 -3.114 -9.461 1.00 1.26 C ATOM 179 CD1 TRP A 11 -33.500 -2.396 -8.995 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.518 -4.413 -8.844 1.00 1.26 C ATOM 181 NE1 TRP A 11 -34.217 -3.184 -8.138 1.00 1.67 N ATOM 182 CE2 TRP A 11 -33.649 -4.415 -8.020 1.00 1.51 C ATOM 183 CE3 TRP A 11 -31.742 -5.569 -8.912 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -34.014 -5.524 -7.274 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -32.100 -6.686 -8.167 1.00 1.35 C ATOM 186 CH2 TRP A 11 -33.226 -6.662 -7.354 1.00 1.53 C ATOM 0 H TRP A 11 -28.646 -1.844 -11.026 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.763 -1.040 -9.142 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.834 -2.038 -11.192 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.923 -3.506 -10.901 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.736 -1.376 -9.259 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -35.064 -2.889 -7.652 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -30.865 -5.596 -9.542 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -34.892 -5.503 -6.645 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -31.497 -7.581 -8.221 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -33.490 -7.537 -6.779 1.00 1.53 H new ATOM 353 N SER A 22 -22.039 6.039 -8.268 1.00 1.32 N ATOM 354 CA SER A 22 -22.294 6.223 -9.698 1.00 0.74 C ATOM 355 C SER A 22 -20.972 6.319 -10.462 1.00 0.68 C ATOM 356 O SER A 22 -20.354 7.383 -10.514 1.00 1.69 O ATOM 357 CB SER A 22 -23.133 7.486 -9.921 1.00 1.62 C ATOM 358 OG SER A 22 -24.356 7.408 -9.195 1.00 1.86 O ATOM 0 HA SER A 22 -22.849 5.363 -10.073 1.00 0.74 H new ATOM 0 HB2 SER A 22 -22.570 8.364 -9.604 1.00 1.62 H new ATOM 0 HB3 SER A 22 -23.342 7.608 -10.984 1.00 1.62 H new ATOM 0 HG SER A 22 -24.201 6.952 -8.341 1.00 1.86 H new ATOM 364 N TRP A 23 -20.554 5.186 -11.033 1.00 0.69 N ATOM 365 CA TRP A 23 -19.307 5.061 -11.808 1.00 0.41 C ATOM 366 C TRP A 23 -18.072 5.158 -10.904 1.00 0.40 C ATOM 367 O TRP A 23 -17.634 6.251 -10.534 1.00 0.55 O ATOM 368 CB TRP A 23 -19.234 6.089 -12.962 1.00 0.43 C ATOM 369 CG TRP A 23 -20.124 5.721 -14.122 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.150 6.457 -14.649 1.00 0.45 C ATOM 371 CD2 TRP A 23 -20.057 4.509 -14.897 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.708 5.754 -15.682 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.067 4.567 -15.862 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.239 3.381 -14.856 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.271 3.537 -16.772 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.434 2.355 -15.760 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.442 2.428 -16.711 1.00 0.31 C ATOM 0 H TRP A 23 -21.078 4.313 -10.971 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.315 4.069 -12.259 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.520 7.072 -12.587 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -18.204 6.167 -13.310 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.467 7.431 -14.307 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.498 6.076 -16.242 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.454 3.309 -14.118 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.057 3.599 -17.510 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.794 1.485 -15.726 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.581 1.615 -17.408 1.00 0.31 H new ATOM 388 N HIS A 24 -17.521 3.995 -10.556 1.00 0.37 N ATOM 389 CA HIS A 24 -16.341 3.891 -9.704 1.00 0.45 C ATOM 390 C HIS A 24 -15.347 2.909 -10.337 1.00 0.36 C ATOM 391 O HIS A 24 -15.732 1.818 -10.772 1.00 0.34 O ATOM 392 CB HIS A 24 -16.769 3.398 -8.309 1.00 0.61 C ATOM 393 CG HIS A 24 -15.694 3.519 -7.280 1.00 1.18 C ATOM 394 ND1 HIS A 24 -15.521 4.625 -6.492 1.00 2.08 N ATOM 395 CD2 HIS A 24 -14.719 2.661 -6.904 1.00 1.66 C ATOM 396 CE1 HIS A 24 -14.505 4.468 -5.678 1.00 2.98 C ATOM 397 NE2 HIS A 24 -13.985 3.269 -5.902 1.00 2.74 N ATOM 0 H HIS A 24 -17.886 3.093 -10.861 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.861 4.864 -9.605 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -17.640 3.967 -7.982 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -17.078 2.355 -8.380 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -16.105 5.460 -6.533 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -14.545 1.677 -7.313 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -14.154 5.188 -4.953 1.00 2.98 H new ATOM 405 N ASN A 25 -14.069 3.295 -10.374 1.00 0.37 N ATOM 406 CA ASN A 25 -13.008 2.450 -10.934 1.00 0.35 C ATOM 407 C ASN A 25 -12.626 1.389 -9.900 1.00 0.34 C ATOM 408 O ASN A 25 -12.093 1.714 -8.836 1.00 0.55 O ATOM 409 CB ASN A 25 -11.786 3.313 -11.294 1.00 0.44 C ATOM 410 CG ASN A 25 -10.724 2.493 -12.036 1.00 0.99 C ATOM 411 OD1 ASN A 25 -11.007 1.876 -13.066 1.00 1.71 O ATOM 412 ND2 ASN A 25 -9.501 2.490 -11.519 1.00 1.49 N ATOM 0 H ASN A 25 -13.741 4.194 -10.020 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.362 1.961 -11.842 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.101 4.152 -11.915 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.355 3.733 -10.386 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -8.756 1.965 -11.976 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.307 3.013 -10.665 1.00 1.49 H new ATOM 419 N VAL A 26 -12.920 0.130 -10.210 1.00 0.22 N ATOM 420 CA VAL A 26 -12.630 -0.987 -9.310 1.00 0.21 C ATOM 421 C VAL A 26 -11.893 -2.092 -10.068 1.00 0.18 C ATOM 422 O VAL A 26 -11.981 -2.186 -11.295 1.00 0.23 O ATOM 423 CB VAL A 26 -13.947 -1.503 -8.694 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.685 -2.463 -9.639 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.698 -2.161 -7.335 1.00 0.31 C ATOM 0 H VAL A 26 -13.363 -0.146 -11.086 1.00 0.22 H new ATOM 0 HA VAL A 26 -11.981 -0.653 -8.500 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.591 -0.637 -8.542 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.607 -2.802 -9.166 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -14.923 -1.947 -10.569 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.050 -3.322 -9.854 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.643 -2.515 -6.924 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.017 -3.003 -7.458 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.256 -1.434 -6.654 1.00 0.31 H new ATOM 435 N TYR A 27 -11.172 -2.927 -9.331 1.00 0.16 N ATOM 436 CA TYR A 27 -10.412 -4.037 -9.913 1.00 0.16 C ATOM 437 C TYR A 27 -11.239 -5.316 -9.840 1.00 0.19 C ATOM 438 O TYR A 27 -11.704 -5.700 -8.765 1.00 0.34 O ATOM 439 CB TYR A 27 -9.081 -4.206 -9.166 1.00 0.17 C ATOM 440 CG TYR A 27 -8.058 -5.006 -9.943 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.268 -4.394 -10.907 1.00 0.28 C ATOM 442 CD2 TYR A 27 -7.910 -6.356 -9.693 1.00 0.26 C ATOM 443 CE1 TYR A 27 -6.337 -5.141 -11.609 1.00 0.33 C ATOM 444 CE2 TYR A 27 -6.980 -7.097 -10.395 1.00 0.30 C ATOM 445 CZ TYR A 27 -6.181 -6.442 -11.373 1.00 0.29 C ATOM 446 OH TYR A 27 -5.274 -7.223 -12.051 1.00 0.37 O ATOM 0 H TYR A 27 -11.094 -2.859 -8.316 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.194 -3.822 -10.959 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.670 -3.222 -8.943 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.268 -4.697 -8.211 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -7.379 -3.339 -11.109 1.00 0.28 H new ATOM 0 HD2 TYR A 27 -8.525 -6.835 -8.945 1.00 0.26 H new ATOM 0 HE1 TYR A 27 -5.728 -4.660 -12.360 1.00 0.33 H new ATOM 0 HE2 TYR A 27 -6.861 -8.154 -10.205 1.00 0.30 H new ATOM 0 HH TYR A 27 -5.324 -8.144 -11.721 1.00 0.37 H new ATOM 456 N CYS A 28 -11.434 -5.963 -10.985 1.00 0.16 N ATOM 457 CA CYS A 28 -12.221 -7.195 -11.066 1.00 0.19 C ATOM 458 C CYS A 28 -11.337 -8.374 -11.485 1.00 0.19 C ATOM 459 O CYS A 28 -10.531 -8.261 -12.409 1.00 0.23 O ATOM 460 CB CYS A 28 -13.357 -7.009 -12.077 1.00 0.23 C ATOM 461 SG CYS A 28 -14.397 -5.585 -11.695 1.00 0.34 S ATOM 0 H CYS A 28 -11.055 -5.653 -11.880 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.639 -7.411 -10.083 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -12.935 -6.889 -13.075 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -13.972 -7.909 -12.097 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.147 -5.858 -10.669 1.00 0.34 H new ATOM 467 N VAL A 29 -11.503 -9.502 -10.794 1.00 0.21 N ATOM 468 CA VAL A 29 -10.746 -10.728 -11.074 1.00 0.24 C ATOM 469 C VAL A 29 -11.722 -11.896 -11.195 1.00 0.26 C ATOM 470 O VAL A 29 -12.415 -12.229 -10.232 1.00 0.38 O ATOM 471 CB VAL A 29 -9.740 -10.999 -9.942 1.00 0.29 C ATOM 472 CG1 VAL A 29 -8.981 -12.308 -10.182 1.00 0.37 C ATOM 473 CG2 VAL A 29 -8.756 -9.839 -9.796 1.00 0.33 C ATOM 0 H VAL A 29 -12.165 -9.594 -10.024 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.194 -10.611 -12.007 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.305 -11.093 -9.015 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.277 -12.475 -9.367 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -9.688 -13.136 -10.226 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.437 -12.246 -11.124 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.056 -10.055 -8.989 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.207 -9.708 -10.728 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.303 -8.925 -9.566 1.00 0.33 H new ATOM 483 N ILE A 30 -11.780 -12.514 -12.377 1.00 0.28 N ATOM 484 CA ILE A 30 -12.681 -13.646 -12.617 1.00 0.32 C ATOM 485 C ILE A 30 -12.082 -14.931 -12.035 1.00 0.35 C ATOM 486 O ILE A 30 -10.871 -15.164 -12.120 1.00 0.44 O ATOM 487 CB ILE A 30 -12.946 -13.797 -14.123 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.557 -12.505 -14.683 1.00 0.47 C ATOM 489 CG2 ILE A 30 -13.877 -14.981 -14.407 1.00 0.50 C ATOM 490 CD1 ILE A 30 -13.869 -12.626 -16.172 1.00 0.57 C ATOM 0 H ILE A 30 -11.214 -12.250 -13.184 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.632 -13.458 -12.118 1.00 0.32 H new ATOM 0 HB ILE A 30 -11.993 -13.989 -14.615 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.471 -12.269 -14.138 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -12.867 -11.677 -14.522 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.046 -15.062 -15.481 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -13.419 -15.900 -14.041 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -14.830 -14.824 -13.901 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.300 -11.691 -16.531 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -12.951 -12.836 -16.720 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -14.580 -13.437 -16.330 1.00 0.57 H new ATOM 502 N ASN A 31 -12.943 -15.756 -11.447 1.00 0.46 N ATOM 503 CA ASN A 31 -12.542 -17.026 -10.836 1.00 0.58 C ATOM 504 C ASN A 31 -13.590 -18.104 -11.151 1.00 0.71 C ATOM 505 O ASN A 31 -14.389 -17.953 -12.080 1.00 1.20 O ATOM 506 CB ASN A 31 -12.373 -16.837 -9.311 1.00 0.73 C ATOM 507 CG ASN A 31 -11.367 -17.833 -8.721 1.00 0.93 C ATOM 508 OD1 ASN A 31 -10.661 -18.535 -9.445 1.00 1.27 O ATOM 509 ND2 ASN A 31 -11.303 -17.893 -7.401 1.00 1.47 N ATOM 0 H ASN A 31 -13.943 -15.565 -11.379 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.586 -17.350 -11.247 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -12.040 -15.820 -9.106 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -13.338 -16.962 -8.820 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -10.653 -18.537 -6.951 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -11.904 -17.295 -6.834 1.00 1.47 H new ATOM 516 N ASN A 32 -13.560 -19.196 -10.381 1.00 0.85 N ATOM 517 CA ASN A 32 -14.471 -20.353 -10.543 1.00 1.00 C ATOM 518 C ASN A 32 -15.964 -19.959 -10.550 1.00 1.00 C ATOM 519 O ASN A 32 -16.624 -19.950 -9.510 1.00 1.97 O ATOM 520 CB ASN A 32 -14.203 -21.405 -9.434 1.00 1.24 C ATOM 521 CG ASN A 32 -13.974 -20.769 -8.053 1.00 1.73 C ATOM 522 OD1 ASN A 32 -12.846 -20.720 -7.569 1.00 2.06 O ATOM 523 ND2 ASN A 32 -15.029 -20.281 -7.424 1.00 2.52 N ATOM 0 H ASN A 32 -12.896 -19.311 -9.615 1.00 0.85 H new ATOM 0 HA ASN A 32 -14.257 -20.781 -11.522 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -15.049 -22.090 -9.378 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -13.330 -21.998 -9.705 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -14.921 -19.847 -6.507 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -15.952 -20.338 -7.855 1.00 2.52 H new ATOM 530 N GLN A 33 -16.491 -19.649 -11.746 1.00 0.75 N ATOM 531 CA GLN A 33 -17.905 -19.265 -11.939 1.00 0.67 C ATOM 532 C GLN A 33 -18.289 -18.039 -11.091 1.00 0.56 C ATOM 533 O GLN A 33 -19.467 -17.884 -10.696 1.00 0.71 O ATOM 534 CB GLN A 33 -18.829 -20.456 -11.619 1.00 0.83 C ATOM 535 CG GLN A 33 -18.602 -21.620 -12.591 1.00 1.46 C ATOM 536 CD GLN A 33 -18.983 -22.952 -11.945 1.00 1.85 C ATOM 537 OE1 GLN A 33 -20.164 -23.266 -11.786 1.00 2.11 O ATOM 538 NE2 GLN A 33 -17.985 -23.741 -11.580 1.00 2.67 N ATOM 0 H GLN A 33 -15.950 -19.657 -12.610 1.00 0.75 H new ATOM 0 HA GLN A 33 -18.032 -18.987 -12.985 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -18.650 -20.793 -10.598 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -19.869 -20.135 -11.671 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -19.194 -21.466 -13.493 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -17.556 -21.645 -12.896 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -17.020 -23.445 -11.729 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -18.181 -24.645 -11.150 1.00 2.67 H new ATOM 547 N GLU A 34 -17.291 -17.171 -10.808 1.00 0.53 N ATOM 548 CA GLU A 34 -17.510 -15.971 -10.004 1.00 0.49 C ATOM 549 C GLU A 34 -16.426 -14.931 -10.274 1.00 0.45 C ATOM 550 O GLU A 34 -15.521 -15.157 -11.076 1.00 0.64 O ATOM 551 CB GLU A 34 -17.546 -16.357 -8.516 1.00 0.61 C ATOM 552 CG GLU A 34 -16.197 -16.869 -8.000 1.00 1.25 C ATOM 553 CD GLU A 34 -16.355 -17.400 -6.579 1.00 1.42 C ATOM 554 OE1 GLU A 34 -17.408 -17.995 -6.274 1.00 1.79 O ATOM 555 OE2 GLU A 34 -15.434 -17.216 -5.765 1.00 1.89 O ATOM 0 H GLU A 34 -16.330 -17.289 -11.130 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.466 -15.524 -10.279 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -17.849 -15.490 -7.928 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -18.303 -17.126 -8.364 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -15.823 -17.657 -8.653 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -15.462 -16.065 -8.018 1.00 1.25 H new ATOM 562 N MET A 35 -16.527 -13.795 -9.598 1.00 0.36 N ATOM 563 CA MET A 35 -15.564 -12.705 -9.744 1.00 0.35 C ATOM 564 C MET A 35 -15.363 -12.007 -8.402 1.00 0.32 C ATOM 565 O MET A 35 -16.286 -11.929 -7.589 1.00 0.42 O ATOM 566 CB MET A 35 -16.039 -11.700 -10.803 1.00 0.41 C ATOM 567 CG MET A 35 -17.370 -11.040 -10.424 1.00 0.43 C ATOM 568 SD MET A 35 -18.016 -9.998 -11.743 1.00 0.60 S ATOM 569 CE MET A 35 -19.658 -9.637 -11.111 1.00 1.25 C ATOM 0 H MET A 35 -17.276 -13.600 -8.934 1.00 0.36 H new ATOM 0 HA MET A 35 -14.612 -13.122 -10.073 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.279 -10.930 -10.936 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.148 -12.209 -11.761 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.100 -11.812 -10.183 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.232 -10.440 -9.524 1.00 0.43 H new ATOM 0 HE1 MET A 35 -20.107 -8.837 -11.700 1.00 1.25 H new ATOM 0 HE2 MET A 35 -20.279 -10.530 -11.179 1.00 1.25 H new ATOM 0 HE3 MET A 35 -19.586 -9.324 -10.069 1.00 1.25 H new ATOM 579 N GLY A 36 -14.153 -11.508 -8.178 1.00 0.27 N ATOM 580 CA GLY A 36 -13.808 -10.818 -6.936 1.00 0.29 C ATOM 581 C GLY A 36 -13.498 -9.348 -7.197 1.00 0.25 C ATOM 582 O GLY A 36 -12.706 -9.018 -8.086 1.00 0.28 O ATOM 0 H GLY A 36 -13.385 -11.569 -8.847 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.633 -10.900 -6.229 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -12.945 -11.299 -6.476 1.00 0.29 H new ATOM 586 N PHE A 37 -14.117 -8.473 -6.405 1.00 0.24 N ATOM 587 CA PHE A 37 -13.913 -7.026 -6.516 1.00 0.25 C ATOM 588 C PHE A 37 -12.835 -6.581 -5.521 1.00 0.25 C ATOM 589 O PHE A 37 -13.001 -6.735 -4.308 1.00 0.40 O ATOM 590 CB PHE A 37 -15.223 -6.279 -6.228 1.00 0.30 C ATOM 591 CG PHE A 37 -16.295 -6.525 -7.270 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.182 -5.966 -8.537 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.387 -7.318 -6.962 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.160 -6.203 -9.488 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.365 -7.553 -7.914 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.261 -6.951 -9.179 1.00 0.33 C ATOM 0 H PHE A 37 -14.771 -8.744 -5.671 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.591 -6.792 -7.531 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.599 -6.583 -5.251 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.019 -5.210 -6.172 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.331 -5.347 -8.780 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.476 -7.754 -5.978 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.052 -5.794 -10.482 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.203 -8.195 -7.685 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.050 -7.079 -9.906 1.00 0.33 H new ATOM 606 N TYR A 38 -11.736 -6.034 -6.036 1.00 0.20 N ATOM 607 CA TYR A 38 -10.624 -5.563 -5.197 1.00 0.21 C ATOM 608 C TYR A 38 -10.225 -4.138 -5.588 1.00 0.21 C ATOM 609 O TYR A 38 -10.812 -3.534 -6.495 1.00 0.23 O ATOM 610 CB TYR A 38 -9.407 -6.491 -5.346 1.00 0.23 C ATOM 611 CG TYR A 38 -9.722 -7.955 -5.149 1.00 0.27 C ATOM 612 CD1 TYR A 38 -10.152 -8.724 -6.218 1.00 0.27 C ATOM 613 CD2 TYR A 38 -9.595 -8.527 -3.897 1.00 0.42 C ATOM 614 CE1 TYR A 38 -10.447 -10.060 -6.033 1.00 0.35 C ATOM 615 CE2 TYR A 38 -9.894 -9.863 -3.713 1.00 0.50 C ATOM 616 CZ TYR A 38 -10.278 -10.634 -4.798 1.00 0.44 C ATOM 617 OH TYR A 38 -10.614 -11.951 -4.594 1.00 0.55 O ATOM 0 H TYR A 38 -11.587 -5.903 -7.036 1.00 0.20 H new ATOM 0 HA TYR A 38 -10.957 -5.571 -4.159 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -8.977 -6.353 -6.338 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.646 -6.194 -4.625 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -10.256 -8.278 -7.196 1.00 0.27 H new ATOM 0 HD2 TYR A 38 -9.262 -7.929 -3.062 1.00 0.42 H new ATOM 0 HE1 TYR A 38 -10.810 -10.653 -6.859 1.00 0.35 H new ATOM 0 HE2 TYR A 38 -9.829 -10.304 -2.729 1.00 0.50 H new ATOM 0 HH TYR A 38 -10.429 -12.195 -3.663 1.00 0.55 H new ATOM 627 N LYS A 39 -9.220 -3.595 -4.899 1.00 0.25 N ATOM 628 CA LYS A 39 -8.732 -2.262 -5.146 1.00 0.29 C ATOM 629 C LYS A 39 -7.848 -2.228 -6.396 1.00 0.28 C ATOM 630 O LYS A 39 -8.003 -1.356 -7.251 1.00 0.33 O ATOM 631 CB LYS A 39 -7.933 -1.809 -3.932 1.00 0.36 C ATOM 632 CG LYS A 39 -8.565 -2.224 -2.593 1.00 0.70 C ATOM 633 CD LYS A 39 -8.697 -1.016 -1.671 1.00 1.15 C ATOM 634 CE LYS A 39 -8.945 -1.427 -0.220 1.00 1.82 C ATOM 635 NZ LYS A 39 -8.893 -0.248 0.690 1.00 2.51 N ATOM 0 H LYS A 39 -8.727 -4.082 -4.151 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.576 -1.593 -5.315 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -6.927 -2.223 -3.994 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.833 -0.724 -3.957 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -9.546 -2.665 -2.768 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -7.952 -2.989 -2.116 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -7.789 -0.416 -1.728 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -9.517 -0.386 -2.014 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -9.918 -1.911 -0.138 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -8.198 -2.159 0.086 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -9.065 -0.557 1.668 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -7.956 0.198 0.627 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -9.622 0.439 0.411 1.00 2.51 H new ATOM 649 N ASP A 40 -6.921 -3.182 -6.482 1.00 0.28 N ATOM 650 CA ASP A 40 -5.989 -3.287 -7.613 1.00 0.32 C ATOM 651 C ASP A 40 -5.462 -4.722 -7.739 1.00 0.33 C ATOM 652 O ASP A 40 -5.956 -5.643 -7.081 1.00 0.32 O ATOM 653 CB ASP A 40 -4.819 -2.291 -7.447 1.00 0.38 C ATOM 654 CG ASP A 40 -3.826 -2.736 -6.366 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.269 -3.094 -5.258 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.603 -2.718 -6.621 1.00 0.94 O ATOM 0 H ASP A 40 -6.792 -3.904 -5.773 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.525 -3.034 -8.528 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.296 -2.187 -8.397 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.215 -1.308 -7.192 1.00 0.38 H new ATOM 661 N ALA A 41 -4.445 -4.894 -8.589 1.00 0.40 N ATOM 662 CA ALA A 41 -3.817 -6.204 -8.824 1.00 0.45 C ATOM 663 C ALA A 41 -3.178 -6.760 -7.546 1.00 0.45 C ATOM 664 O ALA A 41 -3.312 -7.948 -7.247 1.00 0.47 O ATOM 665 CB ALA A 41 -2.760 -6.082 -9.928 1.00 0.55 C ATOM 0 H ALA A 41 -4.033 -4.135 -9.132 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.596 -6.900 -9.137 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.298 -7.054 -10.098 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.233 -5.739 -10.848 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -1.997 -5.366 -9.623 1.00 0.55 H new ATOM 671 N LYS A 42 -2.500 -5.893 -6.786 1.00 0.46 N ATOM 672 CA LYS A 42 -1.850 -6.297 -5.532 1.00 0.48 C ATOM 673 C LYS A 42 -2.893 -6.727 -4.492 1.00 0.43 C ATOM 674 O LYS A 42 -2.695 -7.707 -3.768 1.00 0.47 O ATOM 675 CB LYS A 42 -0.993 -5.151 -4.996 1.00 0.54 C ATOM 676 CG LYS A 42 0.035 -4.700 -6.036 1.00 0.77 C ATOM 677 CD LYS A 42 1.221 -3.988 -5.388 1.00 1.12 C ATOM 678 CE LYS A 42 0.784 -2.689 -4.705 1.00 1.96 C ATOM 679 NZ LYS A 42 1.946 -1.815 -4.375 1.00 2.76 N ATOM 0 H LYS A 42 -2.386 -4.906 -7.017 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.205 -7.152 -5.733 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -1.632 -4.311 -4.724 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.481 -5.469 -4.088 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.391 -5.566 -6.594 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.442 -4.032 -6.753 1.00 0.77 H new ATOM 0 HD2 LYS A 42 1.688 -4.647 -4.656 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.974 -3.768 -6.145 1.00 1.12 H new ATOM 0 HE2 LYS A 42 0.098 -2.149 -5.357 1.00 1.96 H new ATOM 0 HE3 LYS A 42 0.237 -2.925 -3.792 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 1.607 -0.946 -3.914 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 2.589 -2.320 -3.732 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 2.454 -1.568 -5.248 1.00 2.76 H new ATOM 693 N SER A 43 -4.021 -6.005 -4.440 1.00 0.38 N ATOM 694 CA SER A 43 -5.112 -6.325 -3.512 1.00 0.38 C ATOM 695 C SER A 43 -5.749 -7.677 -3.868 1.00 0.39 C ATOM 696 O SER A 43 -6.129 -8.446 -2.984 1.00 0.45 O ATOM 697 CB SER A 43 -6.170 -5.226 -3.557 1.00 0.37 C ATOM 698 OG SER A 43 -5.598 -3.971 -3.212 1.00 1.04 O ATOM 0 H SER A 43 -4.201 -5.194 -5.032 1.00 0.38 H new ATOM 0 HA SER A 43 -4.701 -6.391 -2.505 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.605 -5.172 -4.555 1.00 0.37 H new ATOM 0 HB3 SER A 43 -6.981 -5.465 -2.868 1.00 0.37 H new ATOM 0 HG SER A 43 -5.102 -3.616 -3.979 1.00 1.04 H new ATOM 704 N ALA A 44 -5.848 -7.962 -5.169 1.00 0.37 N ATOM 705 CA ALA A 44 -6.419 -9.222 -5.663 1.00 0.43 C ATOM 706 C ALA A 44 -5.466 -10.394 -5.394 1.00 0.51 C ATOM 707 O ALA A 44 -5.908 -11.508 -5.098 1.00 0.59 O ATOM 708 CB ALA A 44 -6.699 -9.111 -7.165 1.00 0.43 C ATOM 0 H ALA A 44 -5.537 -7.331 -5.908 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.353 -9.410 -5.134 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -7.122 -10.048 -7.526 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.405 -8.301 -7.345 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.769 -8.905 -7.694 1.00 0.43 H new ATOM 714 N ALA A 45 -4.160 -10.134 -5.503 1.00 0.54 N ATOM 715 CA ALA A 45 -3.130 -11.158 -5.281 1.00 0.64 C ATOM 716 C ALA A 45 -3.098 -11.609 -3.815 1.00 0.68 C ATOM 717 O ALA A 45 -3.232 -12.797 -3.525 1.00 0.76 O ATOM 718 CB ALA A 45 -1.760 -10.616 -5.692 1.00 0.69 C ATOM 0 H ALA A 45 -3.787 -9.216 -5.746 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.377 -12.025 -5.894 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.001 -11.380 -5.525 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.777 -10.347 -6.748 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.524 -9.734 -5.096 1.00 0.69 H new ATOM 724 N SER A 46 -2.917 -10.656 -2.895 1.00 0.65 N ATOM 725 CA SER A 46 -2.860 -10.955 -1.453 1.00 0.73 C ATOM 726 C SER A 46 -4.229 -11.403 -0.910 1.00 0.74 C ATOM 727 O SER A 46 -4.306 -12.302 -0.071 1.00 0.84 O ATOM 728 CB SER A 46 -2.374 -9.719 -0.680 1.00 0.75 C ATOM 729 OG SER A 46 -1.255 -9.121 -1.324 1.00 1.21 O ATOM 0 H SER A 46 -2.807 -9.667 -3.120 1.00 0.65 H new ATOM 0 HA SER A 46 -2.158 -11.777 -1.312 1.00 0.73 H new ATOM 0 HB2 SER A 46 -3.184 -8.993 -0.602 1.00 0.75 H new ATOM 0 HB3 SER A 46 -2.103 -10.005 0.336 1.00 0.75 H new ATOM 0 HG SER A 46 -1.567 -8.534 -2.044 1.00 1.21 H new ATOM 735 N GLY A 47 -5.299 -10.765 -1.386 1.00 0.70 N ATOM 736 CA GLY A 47 -6.664 -11.080 -0.946 1.00 0.74 C ATOM 737 C GLY A 47 -7.171 -9.995 0.000 1.00 0.75 C ATOM 738 O GLY A 47 -7.644 -10.281 1.100 1.00 0.88 O ATOM 0 H GLY A 47 -5.248 -10.021 -2.082 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.324 -11.159 -1.810 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.679 -12.048 -0.444 1.00 0.74 H new ATOM 742 N ILE A 48 -7.076 -8.747 -0.453 1.00 0.67 N ATOM 743 CA ILE A 48 -7.526 -7.579 0.312 1.00 0.72 C ATOM 744 C ILE A 48 -8.804 -7.056 -0.345 1.00 0.75 C ATOM 745 O ILE A 48 -8.747 -6.440 -1.412 1.00 0.75 O ATOM 746 CB ILE A 48 -6.433 -6.492 0.326 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.123 -7.044 0.914 1.00 0.78 C ATOM 748 CG2 ILE A 48 -6.894 -5.263 1.120 1.00 0.82 C ATOM 749 CD1 ILE A 48 -3.927 -6.175 0.532 1.00 0.97 C ATOM 0 H ILE A 48 -6.683 -8.513 -1.365 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.724 -7.855 1.348 1.00 0.72 H new ATOM 0 HB ILE A 48 -6.250 -6.188 -0.705 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -5.204 -7.096 2.000 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -4.963 -8.061 0.557 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.106 -4.510 1.115 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -7.793 -4.850 0.662 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -7.111 -5.554 2.148 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -3.019 -6.595 0.965 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -3.831 -6.145 -0.553 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -4.076 -5.164 0.912 1.00 0.97 H new ATOM 761 N PRO A 49 -9.977 -7.324 0.264 1.00 0.84 N ATOM 762 CA PRO A 49 -11.278 -6.909 -0.299 1.00 0.93 C ATOM 763 C PRO A 49 -11.524 -5.396 -0.250 1.00 0.93 C ATOM 764 O PRO A 49 -10.837 -4.651 0.455 1.00 1.08 O ATOM 765 CB PRO A 49 -12.305 -7.668 0.547 1.00 1.07 C ATOM 766 CG PRO A 49 -11.620 -7.943 1.841 1.00 1.06 C ATOM 767 CD PRO A 49 -10.146 -8.076 1.526 1.00 0.92 C ATOM 0 HA PRO A 49 -11.333 -7.140 -1.363 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -13.207 -7.074 0.697 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.610 -8.594 0.059 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -11.794 -7.135 2.551 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -12.003 -8.856 2.297 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -9.529 -7.661 2.323 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.856 -9.120 1.410 1.00 0.92 H new ATOM 775 N TYR A 50 -12.525 -4.968 -1.014 1.00 0.87 N ATOM 776 CA TYR A 50 -12.923 -3.568 -1.106 1.00 0.91 C ATOM 777 C TYR A 50 -14.228 -3.365 -0.325 1.00 1.12 C ATOM 778 O TYR A 50 -15.321 -3.448 -0.887 1.00 1.91 O ATOM 779 CB TYR A 50 -13.081 -3.183 -2.589 1.00 0.92 C ATOM 780 CG TYR A 50 -12.952 -1.695 -2.845 1.00 0.94 C ATOM 781 CD1 TYR A 50 -13.914 -0.815 -2.375 1.00 1.13 C ATOM 782 CD2 TYR A 50 -11.869 -1.207 -3.557 1.00 1.02 C ATOM 783 CE1 TYR A 50 -13.791 0.543 -2.616 1.00 1.24 C ATOM 784 CE2 TYR A 50 -11.748 0.149 -3.798 1.00 1.13 C ATOM 785 CZ TYR A 50 -12.708 1.018 -3.327 1.00 1.17 C ATOM 786 OH TYR A 50 -12.581 2.369 -3.561 1.00 1.34 O ATOM 0 H TYR A 50 -13.088 -5.591 -1.593 1.00 0.87 H new ATOM 0 HA TYR A 50 -12.162 -2.922 -0.669 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -12.329 -3.711 -3.175 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -14.055 -3.521 -2.942 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -14.761 -1.189 -1.820 1.00 1.13 H new ATOM 0 HD2 TYR A 50 -11.116 -1.888 -3.925 1.00 1.02 H new ATOM 0 HE1 TYR A 50 -14.540 1.228 -2.249 1.00 1.24 H new ATOM 0 HE2 TYR A 50 -10.903 0.526 -4.354 1.00 1.13 H new ATOM 0 HH TYR A 50 -13.156 2.626 -4.312 1.00 1.34 H new ATOM 796 N HIS A 51 -14.089 -3.115 0.981 1.00 1.28 N ATOM 797 CA HIS A 51 -15.217 -2.902 1.905 1.00 1.53 C ATOM 798 C HIS A 51 -16.037 -4.185 2.093 1.00 1.61 C ATOM 799 O HIS A 51 -15.649 -5.058 2.875 1.00 2.07 O ATOM 800 CB HIS A 51 -16.111 -1.719 1.459 1.00 2.01 C ATOM 801 CG HIS A 51 -15.560 -0.389 1.875 1.00 2.54 C ATOM 802 ND1 HIS A 51 -15.900 0.232 3.050 1.00 3.19 N ATOM 803 CD2 HIS A 51 -14.669 0.446 1.284 1.00 2.89 C ATOM 804 CE1 HIS A 51 -15.266 1.370 3.183 1.00 3.87 C ATOM 805 NE2 HIS A 51 -14.499 1.538 2.117 1.00 3.74 N ATOM 0 H HIS A 51 -13.178 -3.053 1.436 1.00 1.28 H new ATOM 0 HA HIS A 51 -14.794 -2.637 2.874 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -16.220 -1.740 0.375 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -17.108 -1.843 1.882 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -14.180 0.287 0.334 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -15.353 2.052 4.016 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -13.888 2.335 1.940 1.00 3.74 H new ATOM 813 N SER A 52 -17.169 -4.294 1.395 1.00 1.60 N ATOM 814 CA SER A 52 -18.042 -5.453 1.501 1.00 1.96 C ATOM 815 C SER A 52 -18.530 -5.886 0.119 1.00 1.85 C ATOM 816 O SER A 52 -18.501 -5.120 -0.851 1.00 2.45 O ATOM 817 CB SER A 52 -19.242 -5.126 2.405 1.00 2.44 C ATOM 818 OG SER A 52 -18.849 -4.318 3.511 1.00 2.65 O ATOM 0 H SER A 52 -17.501 -3.582 0.744 1.00 1.60 H new ATOM 0 HA SER A 52 -17.477 -6.274 1.941 1.00 1.96 H new ATOM 0 HB2 SER A 52 -20.006 -4.608 1.826 1.00 2.44 H new ATOM 0 HB3 SER A 52 -19.690 -6.051 2.768 1.00 2.44 H new ATOM 0 HG SER A 52 -19.631 -4.124 4.068 1.00 2.65 H new ATOM 824 N GLU A 53 -18.976 -7.130 0.064 1.00 1.45 N ATOM 825 CA GLU A 53 -19.499 -7.772 -1.159 1.00 1.37 C ATOM 826 C GLU A 53 -18.428 -7.820 -2.254 1.00 1.08 C ATOM 827 O GLU A 53 -18.561 -7.183 -3.303 1.00 1.24 O ATOM 828 CB GLU A 53 -20.762 -7.047 -1.655 1.00 1.73 C ATOM 829 CG GLU A 53 -21.918 -7.191 -0.652 1.00 2.39 C ATOM 830 CD GLU A 53 -22.586 -5.846 -0.395 1.00 2.88 C ATOM 831 OE1 GLU A 53 -22.918 -5.145 -1.370 1.00 3.46 O ATOM 832 OE2 GLU A 53 -22.778 -5.482 0.783 1.00 3.23 O ATOM 0 H GLU A 53 -18.990 -7.745 0.878 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.771 -8.799 -0.914 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -20.541 -5.991 -1.809 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -21.062 -7.454 -2.620 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -22.652 -7.899 -1.037 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -21.542 -7.600 0.286 1.00 2.39 H new ATOM 839 N VAL A 54 -17.359 -8.573 -1.991 1.00 0.84 N ATOM 840 CA VAL A 54 -16.245 -8.710 -2.932 1.00 0.66 C ATOM 841 C VAL A 54 -16.412 -9.961 -3.812 1.00 0.55 C ATOM 842 O VAL A 54 -16.433 -9.838 -5.035 1.00 0.49 O ATOM 843 CB VAL A 54 -14.913 -8.702 -2.154 1.00 0.81 C ATOM 844 CG1 VAL A 54 -13.768 -9.349 -2.943 1.00 0.77 C ATOM 845 CG2 VAL A 54 -14.541 -7.269 -1.775 1.00 1.34 C ATOM 0 H VAL A 54 -17.241 -9.102 -1.127 1.00 0.84 H new ATOM 0 HA VAL A 54 -16.238 -7.861 -3.615 1.00 0.66 H new ATOM 0 HB VAL A 54 -15.061 -9.298 -1.254 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -12.854 -9.317 -2.350 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -14.020 -10.386 -3.166 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.615 -8.805 -3.875 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -13.599 -7.271 -1.226 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -14.433 -6.670 -2.679 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -15.325 -6.843 -1.149 1.00 1.34 H new ATOM 855 N PRO A 55 -16.534 -11.184 -3.230 1.00 0.62 N ATOM 856 CA PRO A 55 -16.702 -12.413 -4.026 1.00 0.59 C ATOM 857 C PRO A 55 -18.158 -12.602 -4.480 1.00 0.58 C ATOM 858 O PRO A 55 -19.004 -13.047 -3.701 1.00 0.83 O ATOM 859 CB PRO A 55 -16.274 -13.525 -3.068 1.00 0.76 C ATOM 860 CG PRO A 55 -16.502 -12.989 -1.690 1.00 0.87 C ATOM 861 CD PRO A 55 -16.523 -11.478 -1.779 1.00 0.83 C ATOM 0 HA PRO A 55 -16.118 -12.396 -4.946 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -16.856 -14.431 -3.236 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -15.227 -13.787 -3.217 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -17.444 -13.361 -1.286 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -15.713 -13.321 -1.015 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -17.403 -11.065 -1.285 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -15.650 -11.041 -1.294 1.00 0.83 H new ATOM 869 N VAL A 56 -18.443 -12.261 -5.736 1.00 0.41 N ATOM 870 CA VAL A 56 -19.792 -12.386 -6.301 1.00 0.43 C ATOM 871 C VAL A 56 -19.781 -13.396 -7.450 1.00 0.42 C ATOM 872 O VAL A 56 -18.872 -13.398 -8.282 1.00 0.43 O ATOM 873 CB VAL A 56 -20.297 -11.015 -6.776 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.777 -11.085 -7.151 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.083 -9.959 -5.694 1.00 0.63 C ATOM 0 H VAL A 56 -17.752 -11.892 -6.390 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.473 -12.748 -5.531 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.725 -10.733 -7.660 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -22.115 -10.104 -7.485 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.915 -11.809 -7.954 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.358 -11.393 -6.282 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.447 -8.995 -6.049 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -20.629 -10.244 -4.795 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.020 -9.883 -5.465 1.00 0.63 H new ATOM 885 N SER A 57 -20.783 -14.269 -7.469 1.00 0.47 N ATOM 886 CA SER A 57 -20.909 -15.323 -8.471 1.00 0.48 C ATOM 887 C SER A 57 -21.372 -14.801 -9.841 1.00 0.46 C ATOM 888 O SER A 57 -22.056 -13.780 -9.940 1.00 0.59 O ATOM 889 CB SER A 57 -21.891 -16.358 -7.942 1.00 0.61 C ATOM 890 OG SER A 57 -21.526 -16.777 -6.629 1.00 0.91 O ATOM 0 H SER A 57 -21.538 -14.265 -6.783 1.00 0.47 H new ATOM 0 HA SER A 57 -19.924 -15.760 -8.635 1.00 0.48 H new ATOM 0 HB2 SER A 57 -22.897 -15.938 -7.928 1.00 0.61 H new ATOM 0 HB3 SER A 57 -21.914 -17.219 -8.610 1.00 0.61 H new ATOM 0 HG SER A 57 -22.171 -17.441 -6.306 1.00 0.91 H new ATOM 896 N LEU A 58 -21.002 -15.543 -10.890 1.00 0.44 N ATOM 897 CA LEU A 58 -21.369 -15.225 -12.277 1.00 0.49 C ATOM 898 C LEU A 58 -22.156 -16.398 -12.869 1.00 0.60 C ATOM 899 O LEU A 58 -21.983 -16.765 -14.032 1.00 0.89 O ATOM 900 CB LEU A 58 -20.107 -14.962 -13.120 1.00 0.67 C ATOM 901 CG LEU A 58 -19.525 -13.572 -12.865 1.00 0.70 C ATOM 902 CD1 LEU A 58 -18.160 -13.436 -13.548 1.00 0.86 C ATOM 903 CD2 LEU A 58 -20.477 -12.486 -13.364 1.00 0.60 C ATOM 0 H LEU A 58 -20.436 -16.387 -10.802 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.984 -14.325 -12.288 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.355 -15.717 -12.891 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -20.350 -15.064 -14.178 1.00 0.67 H new ATOM 0 HG LEU A 58 -19.396 -13.446 -11.790 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -17.756 -12.441 -13.359 1.00 0.86 H new ATOM 0 HD12 LEU A 58 -17.477 -14.187 -13.150 1.00 0.86 H new ATOM 0 HD13 LEU A 58 -18.274 -13.583 -14.622 1.00 0.86 H new ATOM 0 HD21 LEU A 58 -20.042 -11.505 -13.172 1.00 0.60 H new ATOM 0 HD22 LEU A 58 -20.639 -12.608 -14.435 1.00 0.60 H new ATOM 0 HD23 LEU A 58 -21.430 -12.569 -12.841 1.00 0.60 H new ATOM 915 N LYS A 59 -23.026 -16.991 -12.053 1.00 0.70 N ATOM 916 CA LYS A 59 -23.844 -18.128 -12.483 1.00 0.90 C ATOM 917 C LYS A 59 -25.002 -17.635 -13.353 1.00 0.87 C ATOM 918 O LYS A 59 -25.886 -16.919 -12.875 1.00 0.95 O ATOM 919 CB LYS A 59 -24.375 -18.891 -11.259 1.00 1.13 C ATOM 920 CG LYS A 59 -24.626 -20.367 -11.584 1.00 1.41 C ATOM 921 CD LYS A 59 -23.451 -21.256 -11.162 1.00 1.78 C ATOM 922 CE LYS A 59 -23.675 -21.850 -9.769 1.00 2.18 C ATOM 923 NZ LYS A 59 -22.547 -22.735 -9.361 1.00 2.83 N ATOM 0 H LYS A 59 -23.184 -16.703 -11.087 1.00 0.70 H new ATOM 0 HA LYS A 59 -23.229 -18.808 -13.072 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -23.658 -18.814 -10.442 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -25.301 -18.430 -10.915 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -25.532 -20.700 -11.079 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -24.799 -20.478 -12.655 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -23.322 -22.060 -11.886 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -22.530 -20.672 -11.167 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -23.787 -21.044 -9.043 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -24.605 -22.418 -9.761 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -22.733 -23.119 -8.413 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -22.456 -23.517 -10.040 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -21.664 -22.186 -9.345 1.00 2.83 H new ATOM 937 N GLU A 60 -24.981 -18.009 -14.633 1.00 0.89 N ATOM 938 CA GLU A 60 -26.012 -17.610 -15.604 1.00 0.93 C ATOM 939 C GLU A 60 -26.142 -16.083 -15.658 1.00 0.71 C ATOM 940 O GLU A 60 -27.240 -15.531 -15.538 1.00 0.82 O ATOM 941 CB GLU A 60 -27.361 -18.261 -15.253 1.00 1.20 C ATOM 942 CG GLU A 60 -27.248 -19.793 -15.169 1.00 1.43 C ATOM 943 CD GLU A 60 -28.159 -20.350 -14.081 1.00 1.80 C ATOM 944 OE1 GLU A 60 -29.326 -19.918 -13.993 1.00 2.04 O ATOM 945 OE2 GLU A 60 -27.705 -21.212 -13.304 1.00 2.33 O ATOM 0 H GLU A 60 -24.249 -18.598 -15.031 1.00 0.89 H new ATOM 0 HA GLU A 60 -25.710 -17.959 -16.591 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -27.717 -17.869 -14.300 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -28.102 -17.991 -16.005 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -27.512 -20.234 -16.130 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -26.215 -20.074 -14.963 1.00 1.43 H new ATOM 952 N ALA A 61 -25.004 -15.407 -15.823 1.00 0.51 N ATOM 953 CA ALA A 61 -24.970 -13.951 -15.875 1.00 0.35 C ATOM 954 C ALA A 61 -25.361 -13.456 -17.268 1.00 0.35 C ATOM 955 O ALA A 61 -24.632 -13.682 -18.240 1.00 0.43 O ATOM 956 CB ALA A 61 -23.569 -13.447 -15.521 1.00 0.31 C ATOM 0 H ALA A 61 -24.091 -15.851 -15.923 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.686 -13.562 -15.151 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.553 -12.358 -15.562 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.307 -13.776 -14.515 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.847 -13.848 -16.233 1.00 0.31 H new ATOM 962 N ILE A 62 -26.498 -12.766 -17.362 1.00 0.34 N ATOM 963 CA ILE A 62 -26.963 -12.220 -18.643 1.00 0.37 C ATOM 964 C ILE A 62 -26.166 -10.952 -18.951 1.00 0.31 C ATOM 965 O ILE A 62 -25.963 -10.115 -18.069 1.00 0.31 O ATOM 966 CB ILE A 62 -28.467 -11.917 -18.600 1.00 0.46 C ATOM 967 CG1 ILE A 62 -29.268 -13.187 -18.285 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.934 -11.315 -19.928 1.00 0.57 C ATOM 969 CD1 ILE A 62 -30.695 -12.853 -17.860 1.00 1.27 C ATOM 0 H ILE A 62 -27.113 -12.571 -16.572 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.803 -12.957 -19.430 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.643 -11.190 -17.807 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -29.290 -13.833 -19.163 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.771 -13.745 -17.491 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -30.003 -11.107 -19.877 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -28.393 -10.388 -20.118 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.739 -12.021 -20.736 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -31.235 -13.775 -17.644 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.672 -12.228 -16.967 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -31.198 -12.317 -18.665 1.00 1.27 H new ATOM 981 N CYS A 63 -25.692 -10.827 -20.187 1.00 0.34 N ATOM 982 CA CYS A 63 -24.883 -9.675 -20.589 1.00 0.33 C ATOM 983 C CYS A 63 -25.400 -9.062 -21.889 1.00 0.34 C ATOM 984 O CYS A 63 -25.660 -9.770 -22.865 1.00 0.52 O ATOM 985 CB CYS A 63 -23.416 -10.106 -20.740 1.00 0.37 C ATOM 986 SG CYS A 63 -22.278 -8.710 -20.691 1.00 0.53 S ATOM 0 H CYS A 63 -25.853 -11.508 -20.929 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.956 -8.911 -19.815 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -23.162 -10.805 -19.943 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -23.292 -10.638 -21.683 1.00 0.37 H new ATOM 0 HG CYS A 63 -21.085 -9.133 -20.396 1.00 0.53 H new ATOM 992 N GLU A 64 -25.534 -7.736 -21.890 1.00 0.26 N ATOM 993 CA GLU A 64 -26.007 -6.981 -23.057 1.00 0.29 C ATOM 994 C GLU A 64 -24.998 -5.883 -23.397 1.00 0.24 C ATOM 995 O GLU A 64 -24.606 -5.109 -22.520 1.00 0.36 O ATOM 996 CB GLU A 64 -27.363 -6.337 -22.756 1.00 0.33 C ATOM 997 CG GLU A 64 -28.479 -7.372 -22.600 1.00 0.81 C ATOM 998 CD GLU A 64 -29.829 -6.671 -22.541 1.00 1.41 C ATOM 999 OE1 GLU A 64 -30.257 -6.282 -21.436 1.00 1.96 O ATOM 1000 OE2 GLU A 64 -30.477 -6.530 -23.595 1.00 1.83 O ATOM 0 H GLU A 64 -25.318 -7.152 -21.082 1.00 0.26 H new ATOM 0 HA GLU A 64 -26.112 -7.665 -23.899 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -27.287 -5.748 -21.842 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.621 -5.647 -23.560 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -28.458 -8.071 -23.436 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -28.322 -7.955 -21.693 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.589 -5.803 -24.660 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.633 -4.780 -25.096 1.00 0.32 C ATOM 1009 C VAL A 65 -24.305 -3.396 -25.111 1.00 0.31 C ATOM 1010 O VAL A 65 -25.410 -3.233 -25.637 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.075 -5.123 -26.493 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -21.961 -4.144 -26.881 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.565 -6.574 -26.546 1.00 0.39 C ATOM 0 H VAL A 65 -24.901 -6.431 -25.401 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.803 -4.757 -24.390 1.00 0.32 H new ATOM 0 HB VAL A 65 -23.887 -5.027 -27.214 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.579 -4.401 -27.869 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.358 -3.129 -26.898 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.153 -4.205 -26.152 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.178 -6.787 -27.542 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -21.771 -6.708 -25.812 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.385 -7.256 -26.322 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.628 -2.409 -24.529 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.123 -1.033 -24.458 1.00 0.31 C ATOM 1025 C ALA A 66 -23.100 -0.093 -25.097 1.00 0.34 C ATOM 1026 O ALA A 66 -22.366 0.624 -24.409 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.388 -0.643 -22.998 1.00 0.36 C ATOM 0 H ALA A 66 -22.716 -2.540 -24.091 1.00 0.25 H new ATOM 0 HA ALA A 66 -25.063 -0.953 -25.005 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.756 0.382 -22.956 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.134 -1.314 -22.572 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.463 -0.720 -22.427 1.00 0.36 H new ATOM 1033 N LEU A 67 -23.057 -0.111 -26.427 1.00 0.55 N ATOM 1034 CA LEU A 67 -22.132 0.725 -27.208 1.00 0.71 C ATOM 1035 C LEU A 67 -22.701 2.138 -27.409 1.00 0.89 C ATOM 1036 O LEU A 67 -22.055 2.996 -28.012 1.00 1.22 O ATOM 1037 CB LEU A 67 -21.880 0.069 -28.577 1.00 0.76 C ATOM 1038 CG LEU A 67 -20.441 0.294 -29.055 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -19.516 -0.809 -28.541 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -20.378 0.371 -30.580 1.00 1.39 C ATOM 0 H LEU A 67 -23.660 -0.703 -26.999 1.00 0.55 H new ATOM 0 HA LEU A 67 -21.194 0.809 -26.658 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -22.079 -1.001 -28.510 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -22.575 0.477 -29.310 1.00 0.76 H new ATOM 0 HG LEU A 67 -20.101 1.246 -28.648 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -18.501 -0.626 -28.894 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -19.526 -0.814 -27.451 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -19.861 -1.775 -28.911 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -19.347 0.531 -30.894 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -20.747 -0.562 -31.007 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -20.996 1.199 -30.928 1.00 1.39 H new ATOM 1052 N ASP A 68 -23.923 2.359 -26.923 1.00 0.90 N ATOM 1053 CA ASP A 68 -24.613 3.649 -27.055 1.00 1.14 C ATOM 1054 C ASP A 68 -24.609 4.426 -25.726 1.00 0.87 C ATOM 1055 O ASP A 68 -25.061 5.572 -25.674 1.00 1.00 O ATOM 1056 CB ASP A 68 -26.058 3.397 -27.525 1.00 1.59 C ATOM 1057 CG ASP A 68 -26.682 4.665 -28.102 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -26.325 5.048 -29.234 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -27.531 5.281 -27.423 1.00 2.62 O ATOM 0 H ASP A 68 -24.465 1.651 -26.427 1.00 0.90 H new ATOM 0 HA ASP A 68 -24.085 4.258 -27.789 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -26.066 2.610 -28.279 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -26.659 3.042 -26.687 1.00 1.59 H new ATOM 1064 N TYR A 69 -24.097 3.810 -24.652 1.00 0.81 N ATOM 1065 CA TYR A 69 -24.045 4.461 -23.336 1.00 0.69 C ATOM 1066 C TYR A 69 -22.750 5.274 -23.183 1.00 0.97 C ATOM 1067 O TYR A 69 -21.727 4.952 -23.798 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.164 3.414 -22.217 1.00 0.58 C ATOM 1069 CG TYR A 69 -24.749 3.981 -20.940 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.013 4.556 -20.943 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.023 3.932 -19.762 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -26.540 5.080 -19.773 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.554 4.456 -18.596 1.00 0.64 C ATOM 1074 CZ TYR A 69 -25.807 5.028 -18.607 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.327 5.549 -17.444 1.00 0.97 O ATOM 0 H TYR A 69 -23.714 2.865 -24.668 1.00 0.81 H new ATOM 0 HA TYR A 69 -24.888 5.148 -23.257 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -24.788 2.590 -22.562 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.178 3.000 -22.007 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -26.586 4.595 -21.858 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.040 3.484 -19.753 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -27.523 5.528 -19.775 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -23.986 4.416 -17.678 1.00 0.64 H new ATOM 0 HH TYR A 69 -25.683 5.430 -16.715 1.00 0.97 H new ATOM 1173 N HIS A 74 -17.627 2.015 -24.842 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.790 0.558 -24.803 1.00 0.38 C ATOM 1175 C HIS A 74 -18.221 0.111 -23.405 1.00 0.30 C ATOM 1176 O HIS A 74 -17.382 -0.192 -22.550 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.471 -0.123 -25.215 1.00 0.64 C ATOM 1178 CG HIS A 74 -16.118 0.130 -26.652 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -15.375 1.209 -27.065 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -16.437 -0.529 -27.791 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -15.251 1.223 -28.368 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -15.891 0.171 -28.851 1.00 1.53 N ATOM 0 HA HIS A 74 -18.568 0.264 -25.507 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.664 0.238 -24.577 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.553 -1.197 -25.048 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -17.015 -1.439 -27.859 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -14.719 1.964 -28.947 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -15.968 -0.081 -29.836 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.537 0.073 -23.187 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.123 -0.340 -21.909 1.00 0.23 C ATOM 1192 C VAL A 75 -20.930 -1.623 -22.121 1.00 0.22 C ATOM 1193 O VAL A 75 -21.306 -1.945 -23.249 1.00 0.26 O ATOM 1194 CB VAL A 75 -21.043 0.784 -21.378 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.570 0.462 -19.972 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.324 2.139 -21.388 1.00 0.31 C ATOM 0 H VAL A 75 -20.228 0.328 -23.892 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.334 -0.526 -21.180 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.899 0.847 -22.050 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.213 1.273 -19.630 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.141 -0.466 -20.001 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.731 0.350 -19.286 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.995 2.910 -21.010 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.439 2.086 -20.754 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -20.026 2.386 -22.407 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.215 -2.345 -21.043 1.00 0.22 N ATOM 1207 CA PHE A 76 -22.010 -3.572 -21.130 1.00 0.23 C ATOM 1208 C PHE A 76 -22.821 -3.772 -19.848 1.00 0.22 C ATOM 1209 O PHE A 76 -22.319 -3.582 -18.735 1.00 0.27 O ATOM 1210 CB PHE A 76 -21.138 -4.805 -21.441 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.983 -5.050 -20.489 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.800 -4.345 -20.635 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -20.095 -6.011 -19.495 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.732 -4.597 -19.788 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -19.028 -6.260 -18.645 1.00 0.29 C ATOM 1216 CZ PHE A 76 -17.845 -5.554 -18.794 1.00 0.29 C ATOM 0 H PHE A 76 -20.910 -2.106 -20.100 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.703 -3.461 -21.964 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.777 -5.688 -21.443 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.738 -4.699 -22.449 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.709 -3.598 -21.410 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -21.015 -6.566 -19.383 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.810 -4.046 -19.904 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -19.119 -7.004 -17.867 1.00 0.29 H new ATOM 0 HZ PHE A 76 -17.012 -5.750 -18.135 1.00 0.29 H new ATOM 1226 N LYS A 77 -24.084 -4.154 -20.033 1.00 0.23 N ATOM 1227 CA LYS A 77 -25.024 -4.400 -18.937 1.00 0.28 C ATOM 1228 C LYS A 77 -24.851 -5.836 -18.446 1.00 0.31 C ATOM 1229 O LYS A 77 -25.046 -6.773 -19.215 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.464 -4.178 -19.440 1.00 0.36 C ATOM 1231 CG LYS A 77 -27.347 -3.486 -18.397 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.790 -4.445 -17.286 1.00 1.33 C ATOM 1233 CE LYS A 77 -29.052 -5.221 -17.678 1.00 1.76 C ATOM 1234 NZ LYS A 77 -30.274 -4.395 -17.495 1.00 1.95 N ATOM 0 H LYS A 77 -24.489 -4.303 -20.957 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.828 -3.713 -18.114 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.440 -3.576 -20.348 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.905 -5.139 -19.706 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -26.801 -2.651 -17.958 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -28.227 -3.069 -18.887 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -26.985 -5.146 -17.068 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.978 -3.881 -16.372 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -28.978 -5.538 -18.718 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -29.128 -6.125 -17.074 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -30.991 -4.945 -16.980 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -30.037 -3.540 -16.952 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -30.650 -4.121 -18.425 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.478 -6.005 -17.178 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.269 -7.339 -16.601 1.00 0.24 C ATOM 1250 C LEU A 78 -25.309 -7.619 -15.510 1.00 0.29 C ATOM 1251 O LEU A 78 -25.351 -6.927 -14.487 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.840 -7.427 -16.029 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.346 -8.871 -15.816 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -22.557 -9.299 -14.372 1.00 0.86 C ATOM 1255 CD2 LEU A 78 -23.008 -9.868 -16.769 1.00 0.30 C ATOM 0 H LEU A 78 -24.313 -5.237 -16.528 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.389 -8.093 -17.379 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -22.155 -6.914 -16.705 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.806 -6.897 -15.077 1.00 0.30 H new ATOM 0 HG LEU A 78 -21.280 -8.876 -16.041 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -22.202 -10.321 -14.240 1.00 0.86 H new ATOM 0 HD12 LEU A 78 -22.002 -8.634 -13.711 1.00 0.86 H new ATOM 0 HD13 LEU A 78 -23.618 -9.249 -14.129 1.00 0.86 H new ATOM 0 HD21 LEU A 78 -22.622 -10.869 -16.574 1.00 0.30 H new ATOM 0 HD22 LEU A 78 -24.087 -9.858 -16.614 1.00 0.30 H new ATOM 0 HD23 LEU A 78 -22.787 -9.588 -17.799 1.00 0.30 H new ATOM 1267 N ARG A 79 -26.131 -8.649 -15.736 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.174 -9.068 -14.789 1.00 0.40 C ATOM 1269 C ARG A 79 -26.687 -10.320 -14.055 1.00 0.45 C ATOM 1270 O ARG A 79 -26.682 -11.421 -14.618 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.486 -9.360 -15.533 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.680 -9.414 -14.578 1.00 1.11 C ATOM 1273 CD ARG A 79 -31.002 -9.258 -15.331 1.00 1.51 C ATOM 1274 NE ARG A 79 -32.130 -9.490 -14.424 1.00 1.91 N ATOM 1275 CZ ARG A 79 -33.269 -8.803 -14.514 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -33.255 -7.500 -14.765 1.00 2.99 N ATOM 1277 NH2 ARG A 79 -34.426 -9.417 -14.353 1.00 2.93 N ATOM 0 H ARG A 79 -26.093 -9.218 -16.582 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.366 -8.270 -14.072 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.657 -8.590 -16.285 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.400 -10.309 -16.062 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.675 -10.362 -14.040 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -29.588 -8.624 -13.833 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -31.070 -8.258 -15.759 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -31.042 -9.963 -16.161 1.00 1.51 H new ATOM 0 HE ARG A 79 -32.040 -10.202 -13.699 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -32.367 -7.014 -14.891 1.00 2.99 H new ATOM 0 HH12 ARG A 79 -34.132 -6.984 -14.832 1.00 2.99 H new ATOM 0 HH21 ARG A 79 -34.449 -10.418 -14.159 1.00 2.93 H new ATOM 0 HH22 ARG A 79 -35.297 -8.890 -14.422 1.00 2.93 H new ATOM 1291 N LEU A 80 -26.246 -10.130 -12.813 1.00 0.54 N ATOM 1292 CA LEU A 80 -25.706 -11.202 -11.975 1.00 0.68 C ATOM 1293 C LEU A 80 -26.768 -12.236 -11.575 1.00 0.84 C ATOM 1294 O LEU A 80 -27.959 -12.090 -11.866 1.00 1.06 O ATOM 1295 CB LEU A 80 -25.082 -10.584 -10.721 1.00 0.82 C ATOM 1296 CG LEU A 80 -23.825 -9.787 -11.061 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -24.167 -8.364 -11.455 1.00 1.26 C ATOM 1298 CD2 LEU A 80 -22.851 -9.802 -9.892 1.00 1.06 C ATOM 0 H LEU A 80 -26.253 -9.219 -12.354 1.00 0.54 H new ATOM 0 HA LEU A 80 -24.955 -11.734 -12.559 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -25.808 -9.932 -10.235 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -24.834 -11.372 -10.010 1.00 0.82 H new ATOM 0 HG LEU A 80 -23.346 -10.263 -11.917 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -23.251 -7.822 -11.691 1.00 1.26 H new ATOM 0 HD12 LEU A 80 -24.818 -8.375 -12.329 1.00 1.26 H new ATOM 0 HD13 LEU A 80 -24.678 -7.870 -10.628 1.00 1.26 H new ATOM 0 HD21 LEU A 80 -21.961 -9.229 -10.153 1.00 1.06 H new ATOM 0 HD22 LEU A 80 -23.326 -9.357 -9.017 1.00 1.06 H new ATOM 0 HD23 LEU A 80 -22.568 -10.830 -9.668 1.00 1.06 H new ATOM 1310 N SER A 81 -26.306 -13.287 -10.896 1.00 1.01 N ATOM 1311 CA SER A 81 -27.159 -14.390 -10.423 1.00 1.23 C ATOM 1312 C SER A 81 -28.145 -13.927 -9.342 1.00 1.40 C ATOM 1313 O SER A 81 -29.269 -14.422 -9.266 1.00 1.92 O ATOM 1314 CB SER A 81 -26.276 -15.515 -9.864 1.00 1.52 C ATOM 1315 OG SER A 81 -25.115 -14.986 -9.227 1.00 2.18 O ATOM 0 H SER A 81 -25.322 -13.402 -10.654 1.00 1.01 H new ATOM 0 HA SER A 81 -27.740 -14.751 -11.271 1.00 1.23 H new ATOM 0 HB2 SER A 81 -26.847 -16.110 -9.151 1.00 1.52 H new ATOM 0 HB3 SER A 81 -25.979 -16.184 -10.672 1.00 1.52 H new ATOM 0 HG SER A 81 -24.318 -15.447 -9.564 1.00 2.18 H new ATOM 1321 N ASP A 82 -27.713 -12.979 -8.510 1.00 1.33 N ATOM 1322 CA ASP A 82 -28.547 -12.441 -7.421 1.00 1.76 C ATOM 1323 C ASP A 82 -29.614 -11.479 -7.962 1.00 1.31 C ATOM 1324 O ASP A 82 -30.494 -11.042 -7.223 1.00 1.74 O ATOM 1325 CB ASP A 82 -27.663 -11.705 -6.394 1.00 2.76 C ATOM 1326 CG ASP A 82 -26.974 -12.695 -5.458 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -27.655 -13.260 -4.581 1.00 3.77 O ATOM 1328 OD2 ASP A 82 -25.750 -12.906 -5.598 1.00 3.98 O ATOM 0 H ASP A 82 -26.784 -12.562 -8.566 1.00 1.33 H new ATOM 0 HA ASP A 82 -29.051 -13.279 -6.939 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -26.913 -11.109 -6.915 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -28.273 -11.013 -5.813 1.00 2.76 H new ATOM 1333 N GLY A 83 -29.522 -11.148 -9.252 1.00 1.09 N ATOM 1334 CA GLY A 83 -30.460 -10.227 -9.902 1.00 1.53 C ATOM 1335 C GLY A 83 -29.841 -8.834 -10.040 1.00 1.31 C ATOM 1336 O GLY A 83 -30.414 -7.966 -10.724 1.00 1.88 O ATOM 0 H GLY A 83 -28.799 -11.509 -9.874 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -30.730 -10.610 -10.886 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -31.380 -10.166 -9.320 1.00 1.53 H new ATOM 1340 N ASN A 84 -28.674 -8.626 -9.380 1.00 0.93 N ATOM 1341 CA ASN A 84 -27.959 -7.340 -9.409 1.00 0.71 C ATOM 1342 C ASN A 84 -27.653 -6.920 -10.853 1.00 0.62 C ATOM 1343 O ASN A 84 -27.200 -7.736 -11.661 1.00 0.65 O ATOM 1344 CB ASN A 84 -26.645 -7.449 -8.624 1.00 0.84 C ATOM 1345 CG ASN A 84 -26.888 -7.745 -7.145 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -27.818 -8.468 -6.786 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -26.031 -7.214 -6.294 1.00 1.32 N ATOM 0 H ASN A 84 -28.212 -9.342 -8.820 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.599 -6.587 -8.949 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -26.029 -8.238 -9.056 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -26.086 -6.518 -8.721 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -26.125 -7.397 -5.295 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -25.275 -6.621 -6.635 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.914 -5.653 -11.165 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.692 -5.103 -12.506 1.00 0.55 C ATOM 1356 C GLU A 85 -26.679 -3.962 -12.455 1.00 0.47 C ATOM 1357 O GLU A 85 -26.934 -2.921 -11.838 1.00 0.60 O ATOM 1358 CB GLU A 85 -29.024 -4.595 -13.062 1.00 0.70 C ATOM 1359 CG GLU A 85 -29.853 -5.734 -13.654 1.00 1.16 C ATOM 1360 CD GLU A 85 -31.059 -5.182 -14.398 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -31.671 -4.212 -13.911 1.00 1.39 O ATOM 1362 OE2 GLU A 85 -31.402 -5.715 -15.471 1.00 1.43 O ATOM 0 H GLU A 85 -28.285 -4.976 -10.498 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.295 -5.884 -13.154 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.589 -4.107 -12.268 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.837 -3.843 -13.829 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -29.238 -6.325 -14.333 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -30.183 -6.403 -12.859 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.533 -4.159 -13.113 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.466 -3.146 -13.160 1.00 0.31 C ATOM 1371 C TYR A 86 -24.075 -2.815 -14.600 1.00 0.29 C ATOM 1372 O TYR A 86 -24.241 -3.631 -15.509 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.197 -3.637 -12.440 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.406 -4.265 -11.082 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -24.193 -3.647 -10.128 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -22.767 -5.455 -10.780 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -24.341 -4.215 -8.883 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -22.923 -6.029 -9.535 1.00 0.62 C ATOM 1379 CZ TYR A 86 -23.707 -5.403 -8.588 1.00 0.63 C ATOM 1380 OH TYR A 86 -23.849 -5.956 -7.338 1.00 0.77 O ATOM 0 H TYR A 86 -25.316 -5.015 -13.624 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.864 -2.261 -12.664 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.698 -4.364 -13.081 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.518 -2.792 -12.327 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -24.692 -2.718 -10.360 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -22.145 -5.935 -11.521 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -24.954 -3.730 -8.137 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -22.434 -6.964 -9.303 1.00 0.62 H new ATOM 0 HH TYR A 86 -23.341 -6.793 -7.291 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.494 -1.628 -14.768 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.980 -1.155 -16.051 1.00 0.23 C ATOM 1392 C LEU A 87 -21.460 -1.157 -15.944 1.00 0.22 C ATOM 1393 O LEU A 87 -20.901 -0.429 -15.115 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.467 0.270 -16.368 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.986 0.408 -16.291 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.409 1.796 -16.779 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.677 -0.682 -17.107 1.00 0.38 C ATOM 0 H LEU A 87 -23.366 -0.960 -14.008 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.335 -1.803 -16.852 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -23.008 0.970 -15.670 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.132 0.550 -17.367 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.292 0.290 -15.251 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.494 1.887 -16.721 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -24.947 2.559 -16.152 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -25.088 1.932 -17.812 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.758 -0.560 -17.035 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.372 -0.604 -18.150 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.395 -1.661 -16.719 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.801 -1.983 -16.746 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.343 -2.090 -16.719 1.00 0.19 C ATOM 1411 C PHE A 88 -18.744 -1.392 -17.937 1.00 0.20 C ATOM 1412 O PHE A 88 -19.092 -1.713 -19.071 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.928 -3.564 -16.700 1.00 0.20 C ATOM 1414 CG PHE A 88 -19.052 -4.196 -15.333 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -18.144 -3.873 -14.336 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -20.074 -5.093 -15.070 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -18.256 -4.447 -13.083 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -20.185 -5.670 -13.819 1.00 0.25 C ATOM 1419 CZ PHE A 88 -19.278 -5.347 -12.824 1.00 0.22 C ATOM 0 H PHE A 88 -21.253 -2.593 -17.427 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.969 -1.605 -15.817 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.545 -4.118 -17.407 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.896 -3.649 -17.041 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.348 -3.172 -14.538 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.785 -5.342 -15.844 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.548 -4.194 -12.307 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.980 -6.373 -13.617 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.367 -5.796 -11.846 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.843 -0.437 -17.699 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.195 0.308 -18.784 1.00 0.26 C ATOM 1431 C GLN A 89 -15.747 -0.154 -18.950 1.00 0.22 C ATOM 1432 O GLN A 89 -14.971 -0.153 -17.985 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.237 1.820 -18.500 1.00 0.32 C ATOM 1434 CG GLN A 89 -17.328 2.638 -19.800 1.00 0.52 C ATOM 1435 CD GLN A 89 -16.170 3.629 -19.924 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -15.249 3.424 -20.710 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -16.214 4.706 -19.157 1.00 1.63 N ATOM 0 H GLN A 89 -17.544 -0.160 -16.764 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.737 0.112 -19.709 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.093 2.048 -17.865 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.344 2.112 -17.947 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -17.323 1.963 -20.656 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -18.274 3.178 -19.825 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -16.995 4.844 -18.515 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -15.467 5.399 -19.207 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.399 -0.524 -20.182 1.00 0.22 N ATOM 1447 CA ALA A 90 -14.045 -0.971 -20.530 1.00 0.24 C ATOM 1448 C ALA A 90 -13.307 0.172 -21.222 1.00 0.27 C ATOM 1449 O ALA A 90 -13.933 1.094 -21.754 1.00 0.32 O ATOM 1450 CB ALA A 90 -14.109 -2.189 -21.459 1.00 0.29 C ATOM 0 H ALA A 90 -16.047 -0.523 -20.970 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.514 -1.257 -19.622 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -13.098 -2.510 -21.709 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.634 -3.002 -20.957 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.641 -1.923 -22.372 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.980 0.117 -21.225 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.169 1.161 -21.859 1.00 0.44 C ATOM 1458 C LYS A 91 -11.223 1.046 -23.385 1.00 0.49 C ATOM 1459 O LYS A 91 -11.464 2.038 -24.079 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.717 1.062 -21.380 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.597 1.379 -19.884 1.00 1.26 C ATOM 1462 CD LYS A 91 -8.811 0.300 -19.131 1.00 1.43 C ATOM 1463 CE LYS A 91 -9.715 -0.499 -18.184 1.00 1.86 C ATOM 1464 NZ LYS A 91 -9.092 -1.792 -17.787 1.00 2.29 N ATOM 0 H LYS A 91 -11.440 -0.636 -20.798 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.578 2.130 -21.573 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.337 0.059 -21.572 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.096 1.753 -21.951 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.104 2.343 -19.756 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -10.593 1.470 -19.451 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -8.344 -0.377 -19.846 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -8.007 0.766 -18.561 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -9.922 0.094 -17.293 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -10.672 -0.690 -18.670 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -9.469 -2.090 -16.865 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -9.310 -2.516 -18.501 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -8.061 -1.674 -17.718 1.00 2.29 H new ATOM 1478 N ASP A 92 -10.991 -0.164 -23.892 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.990 -0.433 -25.342 1.00 0.66 C ATOM 1480 C ASP A 92 -12.022 -1.513 -25.698 1.00 0.59 C ATOM 1481 O ASP A 92 -12.444 -2.291 -24.835 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.577 -0.876 -25.768 1.00 0.84 C ATOM 1483 CG ASP A 92 -9.402 -0.800 -27.280 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -8.994 0.266 -27.789 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -9.688 -1.803 -27.966 1.00 2.01 O ATOM 0 H ASP A 92 -10.799 -0.986 -23.319 1.00 0.49 H new ATOM 0 HA ASP A 92 -11.265 0.476 -25.876 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.834 -0.244 -25.282 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.397 -1.897 -25.430 1.00 0.84 H new ATOM 1490 N ASP A 93 -12.410 -1.568 -26.980 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.383 -2.562 -27.467 1.00 0.63 C ATOM 1492 C ASP A 93 -12.814 -3.986 -27.351 1.00 0.49 C ATOM 1493 O ASP A 93 -13.557 -4.938 -27.101 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.837 -2.228 -28.915 1.00 0.83 C ATOM 1495 CG ASP A 93 -12.948 -2.846 -30.000 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -13.133 -4.038 -30.320 1.00 2.21 O ATOM 1497 OD2 ASP A 93 -12.088 -2.133 -30.552 1.00 2.13 O ATOM 0 H ASP A 93 -12.065 -0.935 -27.702 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.270 -2.518 -26.835 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -14.860 -2.577 -29.055 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -13.849 -1.145 -29.041 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.488 -4.121 -27.500 1.00 0.41 N ATOM 1503 CA GLU A 94 -10.813 -5.423 -27.379 1.00 0.41 C ATOM 1504 C GLU A 94 -10.970 -5.953 -25.950 1.00 0.36 C ATOM 1505 O GLU A 94 -11.233 -7.139 -25.732 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.326 -5.283 -27.724 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.119 -4.866 -29.189 1.00 1.21 C ATOM 1508 CD GLU A 94 -8.561 -6.027 -30.003 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -9.235 -7.071 -30.106 1.00 2.59 O ATOM 1510 OE2 GLU A 94 -7.445 -5.897 -30.545 1.00 2.43 O ATOM 0 H GLU A 94 -10.860 -3.343 -27.705 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.269 -6.126 -28.076 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -8.868 -4.544 -27.067 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -8.819 -6.230 -27.540 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -10.066 -4.537 -29.616 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -8.436 -4.018 -29.238 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.844 -5.045 -24.982 1.00 0.31 N ATOM 1518 CA GLU A 95 -10.998 -5.373 -23.565 1.00 0.29 C ATOM 1519 C GLU A 95 -12.461 -5.728 -23.273 1.00 0.24 C ATOM 1520 O GLU A 95 -12.749 -6.733 -22.620 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.553 -4.178 -22.710 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.041 -4.631 -21.343 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.174 -3.512 -20.315 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.273 -2.331 -20.714 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -10.175 -3.813 -19.107 1.00 1.30 O ATOM 0 H GLU A 95 -10.633 -4.063 -25.158 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.375 -6.233 -23.318 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.769 -3.628 -23.230 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.389 -3.492 -22.578 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.602 -5.504 -21.011 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -8.997 -4.935 -21.423 1.00 0.42 H new ATOM 1532 N MET A 96 -13.378 -4.899 -23.790 1.00 0.24 N ATOM 1533 CA MET A 96 -14.830 -5.099 -23.627 1.00 0.22 C ATOM 1534 C MET A 96 -15.244 -6.496 -24.113 1.00 0.22 C ATOM 1535 O MET A 96 -15.988 -7.206 -23.434 1.00 0.23 O ATOM 1536 CB MET A 96 -15.591 -4.021 -24.418 1.00 0.26 C ATOM 1537 CG MET A 96 -17.095 -4.024 -24.114 1.00 0.39 C ATOM 1538 SD MET A 96 -18.086 -3.497 -25.527 1.00 0.94 S ATOM 1539 CE MET A 96 -17.998 -4.960 -26.575 1.00 0.77 C ATOM 0 H MET A 96 -13.137 -4.070 -24.333 1.00 0.24 H new ATOM 0 HA MET A 96 -15.078 -5.017 -22.569 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.177 -3.041 -24.181 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.439 -4.182 -25.485 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.400 -5.027 -23.814 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.293 -3.364 -23.269 1.00 0.39 H new ATOM 0 HE1 MET A 96 -17.886 -4.656 -27.616 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.142 -5.568 -26.280 1.00 0.77 H new ATOM 0 HE3 MET A 96 -18.912 -5.543 -26.464 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.742 -6.882 -25.288 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.035 -8.193 -25.886 1.00 0.28 C ATOM 1551 C ASN A 97 -14.538 -9.325 -24.979 1.00 0.26 C ATOM 1552 O ASN A 97 -15.288 -10.247 -24.653 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.360 -8.288 -27.267 1.00 0.35 C ATOM 1554 CG ASN A 97 -14.807 -9.542 -28.030 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -15.961 -9.963 -27.939 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -13.896 -10.135 -28.787 1.00 1.24 N ATOM 0 H ASN A 97 -14.123 -6.300 -25.852 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.114 -8.296 -26.000 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.601 -7.400 -27.852 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.277 -8.304 -27.143 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -14.141 -10.970 -29.320 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -12.950 -9.757 -28.837 1.00 1.24 H new ATOM 1563 N THR A 98 -13.269 -9.238 -24.574 1.00 0.25 N ATOM 1564 CA THR A 98 -12.642 -10.246 -23.702 1.00 0.27 C ATOM 1565 C THR A 98 -13.391 -10.381 -22.362 1.00 0.23 C ATOM 1566 O THR A 98 -13.572 -11.495 -21.855 1.00 0.27 O ATOM 1567 CB THR A 98 -11.170 -9.876 -23.456 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.544 -9.505 -24.683 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.406 -11.043 -22.825 1.00 0.39 C ATOM 0 H THR A 98 -12.647 -8.474 -24.837 1.00 0.25 H new ATOM 0 HA THR A 98 -12.695 -11.211 -24.206 1.00 0.27 H new ATOM 0 HB THR A 98 -11.148 -9.033 -22.766 1.00 0.31 H new ATOM 0 HG1 THR A 98 -10.599 -8.533 -24.798 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.368 -10.753 -22.662 1.00 0.39 H new ATOM 0 HG22 THR A 98 -10.864 -11.304 -21.871 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.442 -11.904 -23.492 1.00 0.39 H new ATOM 1577 N TRP A 99 -13.830 -9.246 -21.801 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.564 -9.228 -20.525 1.00 0.20 C ATOM 1579 C TRP A 99 -15.905 -9.960 -20.654 1.00 0.21 C ATOM 1580 O TRP A 99 -16.193 -10.883 -19.890 1.00 0.24 O ATOM 1581 CB TRP A 99 -14.809 -7.775 -20.068 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.664 -7.194 -19.284 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -12.922 -6.088 -19.603 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.131 -7.691 -18.039 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -11.975 -5.898 -18.638 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.073 -6.848 -17.671 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.448 -8.765 -17.204 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.336 -7.054 -16.518 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -12.714 -8.974 -16.046 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.668 -8.125 -15.704 1.00 0.29 C ATOM 0 H TRP A 99 -13.689 -8.323 -22.212 1.00 0.20 H new ATOM 0 HA TRP A 99 -13.956 -9.742 -19.781 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -14.993 -7.153 -20.944 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.712 -7.741 -19.458 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.063 -5.467 -20.476 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.287 -5.145 -18.642 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.261 -9.429 -17.459 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.521 -6.395 -16.259 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -12.958 -9.806 -15.402 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.110 -8.302 -14.797 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.715 -9.538 -21.630 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.034 -10.137 -21.880 1.00 0.24 C ATOM 1603 C ILE A 100 -17.912 -11.641 -22.166 1.00 0.28 C ATOM 1604 O ILE A 100 -18.670 -12.440 -21.621 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.718 -9.414 -23.055 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.089 -7.983 -22.651 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -19.965 -10.169 -23.529 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.617 -7.180 -23.839 1.00 0.29 C ATOM 0 H ILE A 100 -16.479 -8.777 -22.266 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.645 -10.020 -20.985 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.011 -9.381 -23.884 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -19.844 -8.011 -21.866 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.214 -7.484 -22.234 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.423 -9.631 -24.359 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.682 -11.169 -23.857 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.678 -10.245 -22.708 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -19.869 -6.171 -23.513 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -18.852 -7.130 -24.614 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.507 -7.665 -24.239 1.00 0.29 H new ATOM 1620 N GLN A 101 -16.951 -12.022 -23.010 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.732 -13.434 -23.361 1.00 0.35 C ATOM 1622 C GLN A 101 -16.442 -14.290 -22.117 1.00 0.36 C ATOM 1623 O GLN A 101 -17.004 -15.376 -21.962 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.568 -13.551 -24.350 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.012 -13.233 -25.779 1.00 0.48 C ATOM 1626 CD GLN A 101 -14.992 -13.770 -26.774 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -14.191 -13.017 -27.332 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -15.007 -15.074 -26.985 1.00 1.76 N ATOM 0 H GLN A 101 -16.309 -11.374 -23.466 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.647 -13.808 -23.821 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.770 -12.870 -24.056 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.157 -14.560 -24.312 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -16.989 -13.677 -25.972 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -16.121 -12.156 -25.903 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -15.687 -15.661 -26.502 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -14.338 -15.494 -27.631 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.565 -13.799 -21.239 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.193 -14.522 -20.011 1.00 0.37 C ATOM 1639 C ALA A 102 -16.384 -14.656 -19.049 1.00 0.38 C ATOM 1640 O ALA A 102 -16.564 -15.698 -18.414 1.00 0.48 O ATOM 1641 CB ALA A 102 -14.038 -13.801 -19.312 1.00 0.38 C ATOM 0 H ALA A 102 -15.095 -12.901 -21.352 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.880 -15.526 -20.297 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.768 -14.341 -18.405 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.177 -13.760 -19.980 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.345 -12.788 -19.053 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.189 -13.595 -18.946 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.367 -13.573 -18.067 1.00 0.38 C ATOM 1649 C ILE A 103 -19.467 -14.506 -18.607 1.00 0.47 C ATOM 1650 O ILE A 103 -20.045 -15.295 -17.856 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.875 -12.126 -17.941 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -17.853 -11.269 -17.177 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.240 -12.068 -17.244 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.019 -9.785 -17.498 1.00 0.35 C ATOM 0 H ILE A 103 -17.046 -12.729 -19.466 1.00 0.33 H new ATOM 0 HA ILE A 103 -18.090 -13.938 -17.078 1.00 0.38 H new ATOM 0 HB ILE A 103 -18.997 -11.727 -18.948 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -17.973 -11.427 -16.105 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -16.843 -11.588 -17.435 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.568 -11.031 -17.172 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -20.967 -12.640 -17.820 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.156 -12.492 -16.243 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.281 -9.208 -16.941 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -17.874 -9.625 -18.566 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.021 -9.462 -17.216 1.00 0.35 H new ATOM 1666 N SER A 104 -19.742 -14.418 -19.914 1.00 0.53 N ATOM 1667 CA SER A 104 -20.766 -15.255 -20.565 1.00 0.66 C ATOM 1668 C SER A 104 -20.386 -16.748 -20.537 1.00 0.72 C ATOM 1669 O SER A 104 -21.263 -17.613 -20.506 1.00 0.89 O ATOM 1670 CB SER A 104 -20.964 -14.804 -22.014 1.00 0.81 C ATOM 1671 OG SER A 104 -21.314 -13.427 -22.075 1.00 1.05 O ATOM 0 H SER A 104 -19.269 -13.773 -20.547 1.00 0.53 H new ATOM 0 HA SER A 104 -21.695 -15.133 -20.008 1.00 0.66 H new ATOM 0 HB2 SER A 104 -20.049 -14.976 -22.581 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.746 -15.403 -22.482 1.00 0.81 H new ATOM 0 HG SER A 104 -20.513 -12.879 -21.936 1.00 1.05 H new ATOM 1677 N SER A 105 -19.082 -17.043 -20.552 1.00 0.80 N ATOM 1678 CA SER A 105 -18.586 -18.429 -20.530 1.00 1.13 C ATOM 1679 C SER A 105 -18.542 -18.994 -19.097 1.00 1.23 C ATOM 1680 O SER A 105 -18.279 -20.182 -18.907 1.00 1.61 O ATOM 1681 CB SER A 105 -17.183 -18.492 -21.151 1.00 1.48 C ATOM 1682 OG SER A 105 -17.184 -17.929 -22.460 1.00 1.63 O ATOM 0 H SER A 105 -18.345 -16.338 -20.579 1.00 0.80 H new ATOM 0 HA SER A 105 -19.277 -19.038 -21.113 1.00 1.13 H new ATOM 0 HB2 SER A 105 -16.476 -17.954 -20.519 1.00 1.48 H new ATOM 0 HB3 SER A 105 -16.846 -19.528 -21.196 1.00 1.48 H new ATOM 0 HG SER A 105 -16.824 -17.018 -22.425 1.00 1.63 H new ATOM 1688 N ALA A 106 -18.804 -18.146 -18.096 1.00 1.29 N ATOM 1689 CA ALA A 106 -18.798 -18.568 -16.693 1.00 1.59 C ATOM 1690 C ALA A 106 -20.050 -19.392 -16.388 1.00 2.40 C ATOM 1691 O ALA A 106 -19.926 -20.471 -15.780 1.00 3.00 O ATOM 1692 CB ALA A 106 -18.743 -17.341 -15.775 1.00 1.90 C ATOM 1693 OXT ALA A 106 -21.154 -18.961 -16.773 1.00 3.05 O ATOM 0 H ALA A 106 -19.024 -17.160 -18.234 1.00 1.29 H new ATOM 0 HA ALA A 106 -17.916 -19.184 -16.514 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -18.739 -17.665 -14.734 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -17.836 -16.772 -15.982 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -19.615 -16.712 -15.956 1.00 1.90 H new