USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 662 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 43 THR OG1 : rot -54:sc= 1.14 USER MOD Set 1.2: A 68 HIS : no HD1:sc= 0.945 K(o=2.1,f=-3.6!) USER MOD Set 2.1: A 48 CYS SG : rot -70:sc= 1.6 USER MOD Set 2.2: A 54 SER OG : rot -169:sc= 1.89 USER MOD Set 3.1: A 41 ASN : amide:sc= 1.01 K(o=1.1,f=-0.02) USER MOD Set 3.2: A 67 THR OG1 : rot 136:sc= 0.0927 USER MOD Set 4.1: A 12 GLN : amide:sc= 0.733 K(o=1.4,f=-4.7) USER MOD Set 4.2: A 49 ASN : amide:sc= 0.702 K(o=1.4,f=-3.7!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.349 X(o=-0.35,f=-0.015) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.817 K(o=0.82,f=0) USER MOD Single : A 15 GLN : amide:sc= 0.823 K(o=0.82,f=-0.01) USER MOD Single : A 17 HIS : no HE2:sc= 0.952 K(o=0.95,f=-3.3!) USER MOD Single : A 19 GLN : amide:sc= 0.423 X(o=0.42,f=0) USER MOD Single : A 23 ASN : amide:sc= 0.749 K(o=0.75,f=-1.3) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -177:sc= 1.87 (180deg=1.83) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -177:sc= 1.19 (180deg=1.18) USER MOD Single : A 45 LYS NZ :NH3+ 142:sc= 2.38 (180deg=0.721) USER MOD Single : A 47 TYR OH : rot 180:sc= 0.416 USER MOD Single : A 53 GLN : amide:sc= 1.25 K(o=1.3,f=-7.3!) USER MOD Single : A 56 GLN : amide:sc= 0.11 X(o=0.11,f=-0.1) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 1.19 (180deg=1.19) USER MOD Single : A 62 SER OG : rot 71:sc= 1.16 USER MOD Single : A 64 MET CE :methyl -171:sc= 0 (180deg=-0.0501) USER MOD Single : A 66 TYR OH : rot -169:sc= 1.22 USER MOD Single : A 71 ASN : amide:sc= 0.0491 K(o=0.049,f=-2!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 157:sc= 2.09 (180deg=1.71) USER MOD Single : A 84 LYS NZ :NH3+ 167:sc= 1.28 (180deg=1.14) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.209 -0.212 1.020 1.00 0.00 N ATOM 2 CA ALA A 1 -0.016 -0.289 -0.447 1.00 0.00 C ATOM 3 C ALA A 1 0.949 -1.430 -0.801 1.00 0.00 C ATOM 4 O ALA A 1 2.073 -1.188 -1.249 1.00 0.00 O ATOM 5 CB ALA A 1 0.452 1.070 -1.009 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.864 0.564 1.244 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.605 -1.109 1.366 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.706 -0.037 1.482 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.972 -0.515 -0.919 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.587 0.990 -2.088 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.298 1.831 -0.793 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.397 1.350 -0.544 1.00 0.00 H new ATOM 13 N GLU A 2 0.542 -2.689 -0.606 1.00 0.00 N ATOM 14 CA GLU A 2 1.340 -3.874 -0.907 1.00 0.00 C ATOM 15 C GLU A 2 0.386 -5.069 -1.039 1.00 0.00 C ATOM 16 O GLU A 2 -0.584 -5.154 -0.279 1.00 0.00 O ATOM 17 CB GLU A 2 2.328 -4.075 0.259 1.00 0.00 C ATOM 18 CG GLU A 2 3.234 -5.303 0.137 1.00 0.00 C ATOM 19 CD GLU A 2 4.257 -5.342 1.287 1.00 0.00 C ATOM 20 OE1 GLU A 2 3.876 -5.654 2.437 1.00 0.00 O ATOM 21 OE2 GLU A 2 5.459 -5.100 1.036 1.00 0.00 O ATOM 0 H GLU A 2 -0.377 -2.914 -0.224 1.00 0.00 H new ATOM 0 HA GLU A 2 1.899 -3.771 -1.837 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.955 -3.187 0.341 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.761 -4.152 1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.629 -6.210 0.151 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.756 -5.282 -0.820 1.00 0.00 H new ATOM 28 N HIS A 3 0.681 -6.008 -1.945 1.00 0.00 N ATOM 29 CA HIS A 3 -0.031 -7.275 -2.107 1.00 0.00 C ATOM 30 C HIS A 3 0.949 -8.345 -2.588 1.00 0.00 C ATOM 31 O HIS A 3 1.890 -8.041 -3.324 1.00 0.00 O ATOM 32 CB HIS A 3 -1.160 -7.149 -3.148 1.00 0.00 C ATOM 33 CG HIS A 3 -2.342 -6.319 -2.712 1.00 0.00 C ATOM 34 ND1 HIS A 3 -3.257 -6.646 -1.733 1.00 0.00 N ATOM 35 CD2 HIS A 3 -2.741 -5.126 -3.253 1.00 0.00 C ATOM 36 CE1 HIS A 3 -4.175 -5.667 -1.680 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.908 -4.714 -2.593 1.00 0.00 N ATOM 0 H HIS A 3 1.449 -5.900 -2.607 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.464 -7.547 -1.144 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.747 -6.715 -4.059 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.512 -8.149 -3.403 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.243 -4.594 -4.050 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -5.013 -5.647 -0.998 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.445 -3.865 -2.769 1.00 0.00 H new ATOM 45 N TRP A 4 0.691 -9.603 -2.223 1.00 0.00 N ATOM 46 CA TRP A 4 1.384 -10.761 -2.772 1.00 0.00 C ATOM 47 C TRP A 4 0.501 -11.322 -3.883 1.00 0.00 C ATOM 48 O TRP A 4 -0.640 -11.706 -3.607 1.00 0.00 O ATOM 49 CB TRP A 4 1.603 -11.825 -1.684 1.00 0.00 C ATOM 50 CG TRP A 4 2.596 -11.503 -0.607 1.00 0.00 C ATOM 51 CD1 TRP A 4 2.373 -10.700 0.457 1.00 0.00 C ATOM 52 CD2 TRP A 4 3.962 -11.999 -0.444 1.00 0.00 C ATOM 53 NE1 TRP A 4 3.495 -10.658 1.259 1.00 0.00 N ATOM 54 CE2 TRP A 4 4.508 -11.444 0.754 1.00 0.00 C ATOM 55 CE3 TRP A 4 4.803 -12.852 -1.194 1.00 0.00 C ATOM 56 CZ2 TRP A 4 5.816 -11.719 1.182 1.00 0.00 C ATOM 57 CZ3 TRP A 4 6.117 -13.134 -0.773 1.00 0.00 C ATOM 58 CH2 TRP A 4 6.624 -12.572 0.412 1.00 0.00 C ATOM 0 H TRP A 4 -0.015 -9.845 -1.528 1.00 0.00 H new ATOM 0 HA TRP A 4 2.364 -10.476 -3.155 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.643 -12.027 -1.210 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.919 -12.748 -2.171 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.452 -10.170 0.651 1.00 0.00 H new ATOM 0 HE1 TRP A 4 3.566 -10.113 2.118 1.00 0.00 H new ATOM 0 HE3 TRP A 4 4.431 -13.295 -2.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.197 -11.280 2.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.740 -13.787 -1.365 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.632 -12.796 0.729 1.00 0.00 H new ATOM 69 N ILE A 5 1.014 -11.392 -5.113 1.00 0.00 N ATOM 70 CA ILE A 5 0.295 -11.929 -6.258 1.00 0.00 C ATOM 71 C ILE A 5 1.083 -13.137 -6.758 1.00 0.00 C ATOM 72 O ILE A 5 2.217 -13.027 -7.229 1.00 0.00 O ATOM 73 CB ILE A 5 0.101 -10.869 -7.366 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.448 -9.512 -6.872 1.00 0.00 C ATOM 75 CG2 ILE A 5 -0.813 -11.434 -8.469 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.835 -9.519 -6.226 1.00 0.00 C ATOM 0 H ILE A 5 1.955 -11.071 -5.339 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.711 -12.229 -5.965 1.00 0.00 H new ATOM 0 HB ILE A 5 1.098 -10.658 -7.754 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.260 -9.102 -6.151 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.472 -8.827 -7.720 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.948 -10.685 -9.249 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.357 -12.326 -8.898 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.782 -11.692 -8.042 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.101 -8.506 -5.924 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.568 -9.889 -6.943 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.825 -10.168 -5.350 1.00 0.00 H new ATOM 88 N ASP A 6 0.473 -14.304 -6.633 1.00 0.00 N ATOM 89 CA ASP A 6 0.946 -15.536 -7.228 1.00 0.00 C ATOM 90 C ASP A 6 0.611 -15.494 -8.719 1.00 0.00 C ATOM 91 O ASP A 6 -0.570 -15.508 -9.079 1.00 0.00 O ATOM 92 CB ASP A 6 0.226 -16.693 -6.539 1.00 0.00 C ATOM 93 CG ASP A 6 0.708 -18.056 -7.007 1.00 0.00 C ATOM 94 OD1 ASP A 6 1.891 -18.229 -7.362 1.00 0.00 O ATOM 95 OD2 ASP A 6 -0.112 -18.997 -6.961 1.00 0.00 O ATOM 0 H ASP A 6 -0.388 -14.420 -6.099 1.00 0.00 H new ATOM 0 HA ASP A 6 2.022 -15.664 -7.108 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.370 -16.613 -5.462 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.845 -16.609 -6.724 1.00 0.00 H new ATOM 100 N VAL A 7 1.624 -15.409 -9.585 1.00 0.00 N ATOM 101 CA VAL A 7 1.449 -15.364 -11.046 1.00 0.00 C ATOM 102 C VAL A 7 1.667 -16.740 -11.688 1.00 0.00 C ATOM 103 O VAL A 7 1.649 -16.887 -12.914 1.00 0.00 O ATOM 104 CB VAL A 7 2.310 -14.252 -11.678 1.00 0.00 C ATOM 105 CG1 VAL A 7 1.942 -12.875 -11.104 1.00 0.00 C ATOM 106 CG2 VAL A 7 3.818 -14.483 -11.514 1.00 0.00 C ATOM 0 H VAL A 7 2.600 -15.369 -9.292 1.00 0.00 H new ATOM 0 HA VAL A 7 0.411 -15.103 -11.254 1.00 0.00 H new ATOM 0 HB VAL A 7 2.088 -14.281 -12.745 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.565 -12.110 -11.567 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.893 -12.663 -11.310 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.107 -12.874 -10.027 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.365 -13.664 -11.981 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.066 -14.526 -10.454 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.096 -15.423 -11.991 1.00 0.00 H new ATOM 116 N ARG A 8 1.896 -17.747 -10.849 1.00 0.00 N ATOM 117 CA ARG A 8 1.982 -19.159 -11.183 1.00 0.00 C ATOM 118 C ARG A 8 0.632 -19.665 -11.684 1.00 0.00 C ATOM 119 O ARG A 8 -0.410 -19.063 -11.402 1.00 0.00 O ATOM 120 CB ARG A 8 2.315 -19.839 -9.859 1.00 0.00 C ATOM 121 CG ARG A 8 2.813 -21.285 -9.840 1.00 0.00 C ATOM 122 CD ARG A 8 3.196 -21.719 -8.409 1.00 0.00 C ATOM 123 NE ARG A 8 2.359 -21.102 -7.361 1.00 0.00 N ATOM 124 CZ ARG A 8 1.900 -21.671 -6.248 1.00 0.00 C ATOM 125 NH1 ARG A 8 2.249 -22.900 -5.883 1.00 0.00 N ATOM 126 NH2 ARG A 8 1.062 -20.994 -5.487 1.00 0.00 N ATOM 0 H ARG A 8 2.035 -17.583 -9.852 1.00 0.00 H new ATOM 0 HA ARG A 8 2.717 -19.356 -11.963 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.072 -19.230 -9.365 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.419 -19.798 -9.240 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.038 -21.945 -10.229 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.677 -21.385 -10.498 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.117 -22.804 -8.334 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.240 -21.462 -8.227 1.00 0.00 H new ATOM 0 HE ARG A 8 2.102 -20.126 -7.507 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.890 -23.442 -6.463 1.00 0.00 H new ATOM 0 HH12 ARG A 8 1.876 -23.302 -5.023 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.777 -20.052 -5.755 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.699 -21.412 -4.630 1.00 0.00 H new ATOM 140 N VAL A 9 0.644 -20.817 -12.353 1.00 0.00 N ATOM 141 CA VAL A 9 -0.585 -21.497 -12.737 1.00 0.00 C ATOM 142 C VAL A 9 -1.410 -21.869 -11.488 1.00 0.00 C ATOM 143 O VAL A 9 -0.839 -22.247 -10.459 1.00 0.00 O ATOM 144 CB VAL A 9 -0.283 -22.706 -13.651 1.00 0.00 C ATOM 145 CG1 VAL A 9 0.285 -22.234 -14.998 1.00 0.00 C ATOM 146 CG2 VAL A 9 0.689 -23.724 -13.029 1.00 0.00 C ATOM 0 H VAL A 9 1.497 -21.298 -12.640 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.201 -20.817 -13.326 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.238 -23.213 -13.792 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.492 -23.099 -15.629 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.441 -21.589 -15.493 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.208 -21.679 -14.829 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.853 -24.544 -13.728 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.639 -23.235 -12.813 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.264 -24.115 -12.104 1.00 0.00 H new ATOM 156 N PRO A 10 -2.752 -21.799 -11.560 1.00 0.00 N ATOM 157 CA PRO A 10 -3.618 -21.961 -10.394 1.00 0.00 C ATOM 158 C PRO A 10 -3.684 -23.410 -9.894 1.00 0.00 C ATOM 159 O PRO A 10 -4.090 -23.662 -8.758 1.00 0.00 O ATOM 160 CB PRO A 10 -4.984 -21.446 -10.850 1.00 0.00 C ATOM 161 CG PRO A 10 -4.998 -21.740 -12.346 1.00 0.00 C ATOM 162 CD PRO A 10 -3.548 -21.469 -12.737 1.00 0.00 C ATOM 0 HA PRO A 10 -3.235 -21.408 -9.536 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -5.797 -21.956 -10.334 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.098 -20.381 -10.650 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.292 -22.768 -12.557 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.693 -21.094 -12.882 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.253 -22.077 -13.592 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.408 -20.427 -13.024 1.00 0.00 H new ATOM 170 N GLU A 11 -3.271 -24.379 -10.713 1.00 0.00 N ATOM 171 CA GLU A 11 -3.153 -25.778 -10.308 1.00 0.00 C ATOM 172 C GLU A 11 -2.170 -25.924 -9.141 1.00 0.00 C ATOM 173 O GLU A 11 -2.421 -26.711 -8.227 1.00 0.00 O ATOM 174 CB GLU A 11 -2.707 -26.639 -11.501 1.00 0.00 C ATOM 175 CG GLU A 11 -3.756 -26.669 -12.622 1.00 0.00 C ATOM 176 CD GLU A 11 -3.330 -27.604 -13.768 1.00 0.00 C ATOM 177 OE1 GLU A 11 -2.660 -27.145 -14.721 1.00 0.00 O ATOM 178 OE2 GLU A 11 -3.677 -28.807 -13.741 1.00 0.00 O ATOM 0 H GLU A 11 -3.007 -24.212 -11.684 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.130 -26.125 -9.973 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.768 -26.251 -11.895 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.513 -27.656 -11.160 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.713 -27.000 -12.218 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.905 -25.661 -13.010 1.00 0.00 H new ATOM 185 N GLN A 12 -1.079 -25.145 -9.135 1.00 0.00 N ATOM 186 CA GLN A 12 -0.085 -25.198 -8.069 1.00 0.00 C ATOM 187 C GLN A 12 -0.532 -24.367 -6.859 1.00 0.00 C ATOM 188 O GLN A 12 -0.211 -24.729 -5.728 1.00 0.00 O ATOM 189 CB GLN A 12 1.278 -24.740 -8.595 1.00 0.00 C ATOM 190 CG GLN A 12 1.881 -25.679 -9.653 1.00 0.00 C ATOM 191 CD GLN A 12 3.281 -25.235 -10.091 1.00 0.00 C ATOM 192 OE1 GLN A 12 4.125 -24.864 -9.277 1.00 0.00 O ATOM 193 NE2 GLN A 12 3.568 -25.249 -11.383 1.00 0.00 N ATOM 0 H GLN A 12 -0.867 -24.467 -9.867 1.00 0.00 H new ATOM 0 HA GLN A 12 0.012 -26.230 -7.733 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.176 -23.743 -9.023 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.971 -24.658 -7.758 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.932 -26.691 -9.251 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.224 -25.714 -10.522 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.868 -25.557 -12.058 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.490 -24.952 -11.704 1.00 0.00 H new ATOM 202 N TYR A 13 -1.314 -23.298 -7.062 1.00 0.00 N ATOM 203 CA TYR A 13 -1.929 -22.535 -5.970 1.00 0.00 C ATOM 204 C TYR A 13 -2.781 -23.439 -5.081 1.00 0.00 C ATOM 205 O TYR A 13 -2.736 -23.326 -3.856 1.00 0.00 O ATOM 206 CB TYR A 13 -2.757 -21.375 -6.539 1.00 0.00 C ATOM 207 CG TYR A 13 -3.503 -20.555 -5.501 1.00 0.00 C ATOM 208 CD1 TYR A 13 -2.853 -19.510 -4.819 1.00 0.00 C ATOM 209 CD2 TYR A 13 -4.858 -20.829 -5.230 1.00 0.00 C ATOM 210 CE1 TYR A 13 -3.554 -18.726 -3.885 1.00 0.00 C ATOM 211 CE2 TYR A 13 -5.562 -20.061 -4.286 1.00 0.00 C ATOM 212 CZ TYR A 13 -4.912 -19.001 -3.610 1.00 0.00 C ATOM 213 OH TYR A 13 -5.588 -18.235 -2.707 1.00 0.00 O ATOM 0 H TYR A 13 -1.538 -22.938 -7.990 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.137 -22.119 -5.347 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.094 -20.713 -7.096 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.478 -21.777 -7.251 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.810 -19.309 -5.014 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.358 -21.633 -5.750 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.054 -17.914 -3.378 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.599 -20.280 -4.077 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.512 -18.554 -2.634 1.00 0.00 H new ATOM 223 N GLN A 14 -3.509 -24.379 -5.688 1.00 0.00 N ATOM 224 CA GLN A 14 -4.316 -25.358 -4.966 1.00 0.00 C ATOM 225 C GLN A 14 -3.462 -26.358 -4.166 1.00 0.00 C ATOM 226 O GLN A 14 -4.022 -27.099 -3.356 1.00 0.00 O ATOM 227 CB GLN A 14 -5.240 -26.071 -5.965 1.00 0.00 C ATOM 228 CG GLN A 14 -6.365 -25.136 -6.436 1.00 0.00 C ATOM 229 CD GLN A 14 -7.031 -25.653 -7.710 1.00 0.00 C ATOM 230 OE1 GLN A 14 -7.988 -26.423 -7.672 1.00 0.00 O ATOM 231 NE2 GLN A 14 -6.533 -25.241 -8.865 1.00 0.00 N ATOM 0 H GLN A 14 -3.554 -24.481 -6.702 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.917 -24.832 -4.224 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.661 -26.411 -6.824 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.670 -26.958 -5.500 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.112 -25.039 -5.648 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.960 -24.140 -6.615 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.738 -24.602 -8.879 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.944 -25.563 -9.741 1.00 0.00 H new ATOM 240 N GLN A 15 -2.136 -26.391 -4.358 1.00 0.00 N ATOM 241 CA GLN A 15 -1.245 -27.251 -3.588 1.00 0.00 C ATOM 242 C GLN A 15 -0.644 -26.468 -2.424 1.00 0.00 C ATOM 243 O GLN A 15 -0.730 -26.927 -1.289 1.00 0.00 O ATOM 244 CB GLN A 15 -0.148 -27.879 -4.470 1.00 0.00 C ATOM 245 CG GLN A 15 -0.637 -28.477 -5.800 1.00 0.00 C ATOM 246 CD GLN A 15 -1.908 -29.322 -5.702 1.00 0.00 C ATOM 247 OE1 GLN A 15 -2.003 -30.259 -4.912 1.00 0.00 O ATOM 248 NE2 GLN A 15 -2.910 -29.007 -6.509 1.00 0.00 N ATOM 0 H GLN A 15 -1.657 -25.819 -5.054 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.832 -28.077 -3.187 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.601 -27.118 -4.687 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.350 -28.663 -3.899 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.813 -27.663 -6.503 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.159 -29.093 -6.218 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.815 -28.227 -7.159 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.776 -29.545 -6.481 1.00 0.00 H new ATOM 257 N GLU A 16 -0.085 -25.283 -2.677 1.00 0.00 N ATOM 258 CA GLU A 16 0.560 -24.435 -1.672 1.00 0.00 C ATOM 259 C GLU A 16 0.549 -22.988 -2.172 1.00 0.00 C ATOM 260 O GLU A 16 0.683 -22.758 -3.378 1.00 0.00 O ATOM 261 CB GLU A 16 2.002 -24.934 -1.437 1.00 0.00 C ATOM 262 CG GLU A 16 2.763 -24.164 -0.344 1.00 0.00 C ATOM 263 CD GLU A 16 4.141 -24.787 -0.054 1.00 0.00 C ATOM 264 OE1 GLU A 16 4.195 -25.861 0.591 1.00 0.00 O ATOM 265 OE2 GLU A 16 5.174 -24.179 -0.422 1.00 0.00 O ATOM 0 H GLU A 16 -0.068 -24.875 -3.612 1.00 0.00 H new ATOM 0 HA GLU A 16 0.024 -24.482 -0.724 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.970 -25.990 -1.167 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.557 -24.860 -2.372 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.892 -23.127 -0.654 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.170 -24.152 0.571 1.00 0.00 H new ATOM 272 N HIS A 17 0.426 -22.013 -1.269 1.00 0.00 N ATOM 273 CA HIS A 17 0.525 -20.587 -1.569 1.00 0.00 C ATOM 274 C HIS A 17 0.925 -19.800 -0.315 1.00 0.00 C ATOM 275 O HIS A 17 0.809 -20.304 0.804 1.00 0.00 O ATOM 276 CB HIS A 17 -0.803 -20.080 -2.157 1.00 0.00 C ATOM 277 CG HIS A 17 -2.051 -20.459 -1.392 1.00 0.00 C ATOM 278 ND1 HIS A 17 -2.862 -21.542 -1.651 1.00 0.00 N ATOM 279 CD2 HIS A 17 -2.652 -19.742 -0.392 1.00 0.00 C ATOM 280 CE1 HIS A 17 -3.919 -21.481 -0.826 1.00 0.00 C ATOM 281 NE2 HIS A 17 -3.839 -20.397 -0.033 1.00 0.00 N ATOM 0 H HIS A 17 0.250 -22.201 -0.282 1.00 0.00 H new ATOM 0 HA HIS A 17 1.305 -20.432 -2.315 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.757 -18.993 -2.224 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.895 -20.458 -3.175 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -2.689 -22.265 -2.349 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -2.276 -18.829 0.045 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.723 -22.202 -0.802 1.00 0.00 H new ATOM 289 N VAL A 18 1.401 -18.564 -0.492 1.00 0.00 N ATOM 290 CA VAL A 18 1.699 -17.650 0.605 1.00 0.00 C ATOM 291 C VAL A 18 0.375 -17.278 1.276 1.00 0.00 C ATOM 292 O VAL A 18 -0.643 -17.076 0.608 1.00 0.00 O ATOM 293 CB VAL A 18 2.469 -16.422 0.074 1.00 0.00 C ATOM 294 CG1 VAL A 18 2.711 -15.358 1.156 1.00 0.00 C ATOM 295 CG2 VAL A 18 3.834 -16.844 -0.481 1.00 0.00 C ATOM 0 H VAL A 18 1.591 -18.169 -1.413 1.00 0.00 H new ATOM 0 HA VAL A 18 2.345 -18.116 1.349 1.00 0.00 H new ATOM 0 HB VAL A 18 1.843 -15.991 -0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.256 -14.518 0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.754 -15.009 1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.295 -15.791 1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.363 -15.966 -0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.419 -17.314 0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.692 -17.553 -1.297 1.00 0.00 H new ATOM 305 N GLN A 19 0.388 -17.202 2.605 1.00 0.00 N ATOM 306 CA GLN A 19 -0.791 -16.955 3.416 1.00 0.00 C ATOM 307 C GLN A 19 -1.388 -15.592 3.046 1.00 0.00 C ATOM 308 O GLN A 19 -0.728 -14.560 3.183 1.00 0.00 O ATOM 309 CB GLN A 19 -0.382 -17.077 4.893 1.00 0.00 C ATOM 310 CG GLN A 19 -1.564 -17.147 5.869 1.00 0.00 C ATOM 311 CD GLN A 19 -1.109 -17.576 7.268 1.00 0.00 C ATOM 312 OE1 GLN A 19 -1.178 -16.803 8.221 1.00 0.00 O ATOM 313 NE2 GLN A 19 -0.627 -18.801 7.435 1.00 0.00 N ATOM 0 H GLN A 19 1.240 -17.314 3.155 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.578 -17.686 3.232 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.230 -17.971 5.016 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.243 -16.224 5.157 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.049 -16.173 5.925 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.306 -17.852 5.494 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.571 -19.440 6.642 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.312 -19.104 8.357 1.00 0.00 H new ATOM 322 N GLY A 20 -2.631 -15.599 2.556 1.00 0.00 N ATOM 323 CA GLY A 20 -3.374 -14.396 2.195 1.00 0.00 C ATOM 324 C GLY A 20 -2.997 -13.811 0.829 1.00 0.00 C ATOM 325 O GLY A 20 -3.503 -12.740 0.485 1.00 0.00 O ATOM 0 H GLY A 20 -3.156 -16.459 2.397 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.439 -14.626 2.198 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.210 -13.638 2.960 1.00 0.00 H new ATOM 329 N ALA A 21 -2.126 -14.463 0.046 1.00 0.00 N ATOM 330 CA ALA A 21 -1.804 -14.012 -1.305 1.00 0.00 C ATOM 331 C ALA A 21 -3.010 -14.168 -2.237 1.00 0.00 C ATOM 332 O ALA A 21 -3.854 -15.047 -2.042 1.00 0.00 O ATOM 333 CB ALA A 21 -0.614 -14.798 -1.855 1.00 0.00 C ATOM 0 H ALA A 21 -1.632 -15.308 0.332 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.542 -12.955 -1.256 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.384 -14.452 -2.863 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.252 -14.644 -1.212 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.861 -15.859 -1.883 1.00 0.00 H new ATOM 339 N ILE A 22 -3.054 -13.338 -3.279 1.00 0.00 N ATOM 340 CA ILE A 22 -3.988 -13.478 -4.393 1.00 0.00 C ATOM 341 C ILE A 22 -3.323 -14.431 -5.397 1.00 0.00 C ATOM 342 O ILE A 22 -2.093 -14.515 -5.434 1.00 0.00 O ATOM 343 CB ILE A 22 -4.261 -12.099 -5.061 1.00 0.00 C ATOM 344 CG1 ILE A 22 -4.306 -10.885 -4.097 1.00 0.00 C ATOM 345 CG2 ILE A 22 -5.559 -12.133 -5.892 1.00 0.00 C ATOM 346 CD1 ILE A 22 -5.395 -10.940 -3.016 1.00 0.00 C ATOM 0 H ILE A 22 -2.430 -12.536 -3.373 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.948 -13.865 -4.050 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.392 -11.943 -5.700 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.336 -10.796 -3.607 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.449 -9.980 -4.687 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.725 -11.157 -6.347 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.471 -12.888 -6.674 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.400 -12.379 -5.243 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.339 -10.045 -2.397 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.375 -10.993 -3.490 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.245 -11.822 -2.393 1.00 0.00 H new ATOM 358 N ASN A 23 -4.100 -15.088 -6.262 1.00 0.00 N ATOM 359 CA ASN A 23 -3.566 -15.784 -7.430 1.00 0.00 C ATOM 360 C ASN A 23 -4.231 -15.176 -8.650 1.00 0.00 C ATOM 361 O ASN A 23 -5.461 -15.118 -8.749 1.00 0.00 O ATOM 362 CB ASN A 23 -3.741 -17.308 -7.379 1.00 0.00 C ATOM 363 CG ASN A 23 -3.341 -17.952 -8.712 1.00 0.00 C ATOM 364 OD1 ASN A 23 -4.123 -17.961 -9.654 1.00 0.00 O ATOM 365 ND2 ASN A 23 -2.138 -18.488 -8.848 1.00 0.00 N ATOM 0 H ASN A 23 -5.114 -15.151 -6.171 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.485 -15.648 -7.463 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.132 -17.721 -6.574 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.779 -17.551 -7.151 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.864 -18.907 -9.736 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.485 -18.481 -8.064 1.00 0.00 H new ATOM 372 N ILE A 24 -3.392 -14.692 -9.556 1.00 0.00 N ATOM 373 CA ILE A 24 -3.790 -14.155 -10.839 1.00 0.00 C ATOM 374 C ILE A 24 -2.678 -14.647 -11.769 1.00 0.00 C ATOM 375 O ILE A 24 -1.595 -14.062 -11.739 1.00 0.00 O ATOM 376 CB ILE A 24 -3.922 -12.607 -10.819 1.00 0.00 C ATOM 377 CG1 ILE A 24 -4.594 -12.014 -9.561 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.636 -12.180 -12.096 1.00 0.00 C ATOM 379 CD1 ILE A 24 -4.783 -10.491 -9.587 1.00 0.00 C ATOM 0 H ILE A 24 -2.383 -14.664 -9.408 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.780 -14.483 -11.155 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.913 -12.197 -10.774 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.569 -12.484 -9.432 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.995 -12.276 -8.689 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.742 -11.095 -12.108 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.054 -12.497 -12.962 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.623 -12.642 -12.133 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.262 -10.168 -8.663 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.812 -10.005 -9.681 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.410 -10.217 -10.435 1.00 0.00 H new ATOM 391 N PRO A 25 -2.875 -15.744 -12.524 1.00 0.00 N ATOM 392 CA PRO A 25 -1.814 -16.321 -13.340 1.00 0.00 C ATOM 393 C PRO A 25 -1.352 -15.269 -14.354 1.00 0.00 C ATOM 394 O PRO A 25 -2.132 -14.397 -14.725 1.00 0.00 O ATOM 395 CB PRO A 25 -2.422 -17.582 -13.964 1.00 0.00 C ATOM 396 CG PRO A 25 -3.914 -17.262 -14.033 1.00 0.00 C ATOM 397 CD PRO A 25 -4.134 -16.430 -12.771 1.00 0.00 C ATOM 0 HA PRO A 25 -0.919 -16.603 -12.786 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.008 -17.780 -14.953 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.229 -18.465 -13.354 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.168 -16.705 -14.935 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.523 -18.166 -14.034 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.947 -15.717 -12.909 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.406 -17.064 -11.927 1.00 0.00 H new ATOM 405 N LEU A 26 -0.100 -15.333 -14.809 1.00 0.00 N ATOM 406 CA LEU A 26 0.552 -14.262 -15.575 1.00 0.00 C ATOM 407 C LEU A 26 -0.291 -13.679 -16.726 1.00 0.00 C ATOM 408 O LEU A 26 -0.380 -12.460 -16.867 1.00 0.00 O ATOM 409 CB LEU A 26 1.915 -14.794 -16.053 1.00 0.00 C ATOM 410 CG LEU A 26 2.788 -13.807 -16.853 1.00 0.00 C ATOM 411 CD1 LEU A 26 2.919 -12.447 -16.161 1.00 0.00 C ATOM 412 CD2 LEU A 26 4.183 -14.420 -17.024 1.00 0.00 C ATOM 0 H LEU A 26 0.502 -16.142 -14.655 1.00 0.00 H new ATOM 0 HA LEU A 26 0.682 -13.404 -14.915 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.480 -15.122 -15.180 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.741 -15.676 -16.670 1.00 0.00 H new ATOM 0 HG LEU A 26 2.307 -13.637 -17.816 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.544 -11.790 -16.766 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.931 -12.002 -16.043 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.376 -12.580 -15.180 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.815 -13.734 -17.589 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.625 -14.597 -16.044 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.102 -15.365 -17.562 1.00 0.00 H new ATOM 424 N LYS A 27 -0.964 -14.518 -17.516 1.00 0.00 N ATOM 425 CA LYS A 27 -1.851 -14.073 -18.590 1.00 0.00 C ATOM 426 C LYS A 27 -2.978 -13.190 -18.044 1.00 0.00 C ATOM 427 O LYS A 27 -3.299 -12.167 -18.648 1.00 0.00 O ATOM 428 CB LYS A 27 -2.392 -15.306 -19.334 1.00 0.00 C ATOM 429 CG LYS A 27 -3.200 -14.922 -20.586 1.00 0.00 C ATOM 430 CD LYS A 27 -3.747 -16.141 -21.349 1.00 0.00 C ATOM 431 CE LYS A 27 -2.673 -17.074 -21.935 1.00 0.00 C ATOM 432 NZ LYS A 27 -1.874 -16.438 -23.015 1.00 0.00 N ATOM 0 H LYS A 27 -0.908 -15.533 -17.427 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.293 -13.458 -19.295 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.560 -15.947 -19.624 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.023 -15.887 -18.661 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.032 -14.282 -20.292 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.568 -14.337 -21.254 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.381 -16.718 -20.676 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.383 -15.788 -22.161 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.004 -17.394 -21.137 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.154 -17.970 -22.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.168 -17.115 -23.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.504 -16.156 -23.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.390 -15.598 -22.640 1.00 0.00 H new ATOM 446 N GLU A 28 -3.567 -13.564 -16.906 1.00 0.00 N ATOM 447 CA GLU A 28 -4.569 -12.754 -16.232 1.00 0.00 C ATOM 448 C GLU A 28 -3.946 -11.573 -15.510 1.00 0.00 C ATOM 449 O GLU A 28 -4.615 -10.559 -15.426 1.00 0.00 O ATOM 450 CB GLU A 28 -5.393 -13.568 -15.221 1.00 0.00 C ATOM 451 CG GLU A 28 -6.586 -14.271 -15.870 1.00 0.00 C ATOM 452 CD GLU A 28 -7.228 -15.311 -14.933 1.00 0.00 C ATOM 453 OE1 GLU A 28 -7.298 -15.065 -13.706 1.00 0.00 O ATOM 454 OE2 GLU A 28 -7.692 -16.364 -15.428 1.00 0.00 O ATOM 0 H GLU A 28 -3.358 -14.441 -16.429 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.231 -12.392 -17.019 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.751 -14.311 -14.748 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.750 -12.907 -14.432 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.333 -13.529 -16.153 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.261 -14.762 -16.787 1.00 0.00 H new ATOM 461 N VAL A 29 -2.727 -11.635 -14.966 1.00 0.00 N ATOM 462 CA VAL A 29 -2.234 -10.534 -14.121 1.00 0.00 C ATOM 463 C VAL A 29 -2.212 -9.239 -14.929 1.00 0.00 C ATOM 464 O VAL A 29 -2.693 -8.204 -14.471 1.00 0.00 O ATOM 465 CB VAL A 29 -0.906 -10.887 -13.408 1.00 0.00 C ATOM 466 CG1 VAL A 29 0.381 -10.507 -14.154 1.00 0.00 C ATOM 467 CG2 VAL A 29 -0.853 -10.215 -12.027 1.00 0.00 C ATOM 0 H VAL A 29 -2.076 -12.411 -15.088 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.926 -10.370 -13.294 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.924 -11.975 -13.351 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.246 -10.802 -13.560 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.409 -11.020 -15.116 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.403 -9.429 -14.316 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.085 -10.470 -11.534 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.918 -9.133 -12.146 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.688 -10.564 -11.420 1.00 0.00 H new ATOM 477 N LYS A 30 -1.803 -9.343 -16.193 1.00 0.00 N ATOM 478 CA LYS A 30 -1.760 -8.247 -17.145 1.00 0.00 C ATOM 479 C LYS A 30 -3.150 -7.797 -17.637 1.00 0.00 C ATOM 480 O LYS A 30 -3.234 -6.949 -18.524 1.00 0.00 O ATOM 481 CB LYS A 30 -0.858 -8.700 -18.309 1.00 0.00 C ATOM 482 CG LYS A 30 -0.210 -7.490 -19.009 1.00 0.00 C ATOM 483 CD LYS A 30 0.089 -7.710 -20.499 1.00 0.00 C ATOM 484 CE LYS A 30 -1.181 -7.959 -21.333 1.00 0.00 C ATOM 485 NZ LYS A 30 -2.193 -6.882 -21.189 1.00 0.00 N ATOM 0 H LYS A 30 -1.482 -10.226 -16.591 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.355 -7.362 -16.655 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.081 -9.366 -17.934 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.446 -9.269 -19.029 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.870 -6.629 -18.906 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.719 -7.243 -18.496 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.611 -6.838 -20.893 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.762 -8.560 -20.608 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.906 -8.053 -22.384 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.625 -8.909 -21.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.044 -7.130 -21.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.443 -6.773 -20.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.802 -5.988 -21.548 1.00 0.00 H new ATOM 499 N GLU A 31 -4.240 -8.365 -17.126 1.00 0.00 N ATOM 500 CA GLU A 31 -5.615 -8.074 -17.535 1.00 0.00 C ATOM 501 C GLU A 31 -6.562 -7.955 -16.323 1.00 0.00 C ATOM 502 O GLU A 31 -7.680 -7.457 -16.469 1.00 0.00 O ATOM 503 CB GLU A 31 -6.107 -9.200 -18.467 1.00 0.00 C ATOM 504 CG GLU A 31 -5.418 -9.256 -19.843 1.00 0.00 C ATOM 505 CD GLU A 31 -5.656 -8.019 -20.732 1.00 0.00 C ATOM 506 OE1 GLU A 31 -6.727 -7.375 -20.649 1.00 0.00 O ATOM 507 OE2 GLU A 31 -4.776 -7.708 -21.567 1.00 0.00 O ATOM 0 H GLU A 31 -4.189 -9.067 -16.388 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.622 -7.115 -18.054 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.960 -10.156 -17.965 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.180 -9.082 -18.620 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.345 -9.378 -19.693 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.768 -10.141 -20.374 1.00 0.00 H new ATOM 514 N ARG A 32 -6.131 -8.383 -15.128 1.00 0.00 N ATOM 515 CA ARG A 32 -6.968 -8.564 -13.943 1.00 0.00 C ATOM 516 C ARG A 32 -6.357 -7.933 -12.694 1.00 0.00 C ATOM 517 O ARG A 32 -7.106 -7.693 -11.747 1.00 0.00 O ATOM 518 CB ARG A 32 -7.284 -10.067 -13.748 1.00 0.00 C ATOM 519 CG ARG A 32 -8.310 -10.328 -12.628 1.00 0.00 C ATOM 520 CD ARG A 32 -9.044 -11.675 -12.750 1.00 0.00 C ATOM 521 NE ARG A 32 -8.256 -12.847 -12.336 1.00 0.00 N ATOM 522 CZ ARG A 32 -8.010 -13.292 -11.099 1.00 0.00 C ATOM 523 NH1 ARG A 32 -8.376 -12.606 -10.019 1.00 0.00 N ATOM 524 NH2 ARG A 32 -7.365 -14.446 -10.985 1.00 0.00 N ATOM 0 H ARG A 32 -5.154 -8.620 -14.958 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.907 -8.034 -14.106 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.664 -10.477 -14.684 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.361 -10.600 -13.519 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.799 -10.291 -11.666 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.046 -9.524 -12.629 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.952 -11.634 -12.148 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.355 -11.811 -13.786 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.843 -13.392 -13.093 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.859 -11.713 -10.121 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.174 -12.973 -9.089 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.079 -14.955 -11.821 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.156 -14.824 -10.061 1.00 0.00 H new ATOM 538 N ILE A 33 -5.054 -7.600 -12.661 1.00 0.00 N ATOM 539 CA ILE A 33 -4.500 -6.898 -11.497 1.00 0.00 C ATOM 540 C ILE A 33 -5.257 -5.585 -11.303 1.00 0.00 C ATOM 541 O ILE A 33 -5.660 -5.293 -10.184 1.00 0.00 O ATOM 542 CB ILE A 33 -2.960 -6.720 -11.569 1.00 0.00 C ATOM 543 CG1 ILE A 33 -2.307 -6.289 -10.236 1.00 0.00 C ATOM 544 CG2 ILE A 33 -2.511 -5.656 -12.580 1.00 0.00 C ATOM 545 CD1 ILE A 33 -2.548 -7.249 -9.067 1.00 0.00 C ATOM 0 H ILE A 33 -4.385 -7.800 -13.405 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.649 -7.515 -10.611 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.637 -7.719 -11.861 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.233 -6.187 -10.389 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.685 -5.304 -9.963 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.423 -5.586 -12.576 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.853 -5.934 -13.577 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.937 -4.691 -12.306 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.053 -6.866 -8.174 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.619 -7.334 -8.881 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.144 -8.231 -9.313 1.00 0.00 H new ATOM 557 N ALA A 34 -5.559 -4.857 -12.386 1.00 0.00 N ATOM 558 CA ALA A 34 -6.277 -3.587 -12.313 1.00 0.00 C ATOM 559 C ALA A 34 -7.650 -3.703 -11.634 1.00 0.00 C ATOM 560 O ALA A 34 -8.131 -2.724 -11.067 1.00 0.00 O ATOM 561 CB ALA A 34 -6.420 -3.001 -13.720 1.00 0.00 C ATOM 0 H ALA A 34 -5.311 -5.136 -13.335 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.687 -2.918 -11.686 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.956 -2.053 -13.667 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.431 -2.835 -14.147 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.975 -3.697 -14.349 1.00 0.00 H new ATOM 567 N THR A 35 -8.283 -4.875 -11.670 1.00 0.00 N ATOM 568 CA THR A 35 -9.603 -5.100 -11.091 1.00 0.00 C ATOM 569 C THR A 35 -9.544 -5.152 -9.553 1.00 0.00 C ATOM 570 O THR A 35 -10.533 -4.820 -8.896 1.00 0.00 O ATOM 571 CB THR A 35 -10.193 -6.394 -11.694 1.00 0.00 C ATOM 572 OG1 THR A 35 -9.911 -6.463 -13.086 1.00 0.00 O ATOM 573 CG2 THR A 35 -11.713 -6.481 -11.517 1.00 0.00 C ATOM 0 H THR A 35 -7.886 -5.706 -12.109 1.00 0.00 H new ATOM 0 HA THR A 35 -10.257 -4.264 -11.338 1.00 0.00 H new ATOM 0 HB THR A 35 -9.728 -7.222 -11.159 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.289 -7.288 -13.456 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.078 -7.409 -11.958 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.957 -6.463 -10.455 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.186 -5.633 -12.012 1.00 0.00 H new ATOM 581 N ALA A 36 -8.396 -5.520 -8.969 1.00 0.00 N ATOM 582 CA ALA A 36 -8.216 -5.658 -7.520 1.00 0.00 C ATOM 583 C ALA A 36 -7.215 -4.635 -6.963 1.00 0.00 C ATOM 584 O ALA A 36 -7.237 -4.322 -5.773 1.00 0.00 O ATOM 585 CB ALA A 36 -7.740 -7.085 -7.225 1.00 0.00 C ATOM 0 H ALA A 36 -7.552 -5.734 -9.501 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.169 -5.464 -7.028 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.600 -7.207 -6.151 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.486 -7.797 -7.577 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.795 -7.266 -7.737 1.00 0.00 H new ATOM 591 N VAL A 37 -6.345 -4.121 -7.829 1.00 0.00 N ATOM 592 CA VAL A 37 -5.177 -3.300 -7.550 1.00 0.00 C ATOM 593 C VAL A 37 -5.071 -2.277 -8.706 1.00 0.00 C ATOM 594 O VAL A 37 -4.165 -2.354 -9.540 1.00 0.00 O ATOM 595 CB VAL A 37 -3.947 -4.233 -7.434 1.00 0.00 C ATOM 596 CG1 VAL A 37 -2.640 -3.508 -7.106 1.00 0.00 C ATOM 597 CG2 VAL A 37 -4.123 -5.372 -6.416 1.00 0.00 C ATOM 0 H VAL A 37 -6.452 -4.285 -8.830 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.242 -2.750 -6.611 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.878 -4.653 -8.437 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.828 -4.232 -7.042 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.419 -2.783 -7.890 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.740 -2.991 -6.152 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.220 -5.982 -6.392 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.303 -4.951 -5.427 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.971 -5.992 -6.706 1.00 0.00 H new ATOM 607 N PRO A 38 -6.027 -1.339 -8.838 1.00 0.00 N ATOM 608 CA PRO A 38 -5.947 -0.271 -9.829 1.00 0.00 C ATOM 609 C PRO A 38 -4.846 0.747 -9.491 1.00 0.00 C ATOM 610 O PRO A 38 -4.407 1.483 -10.376 1.00 0.00 O ATOM 611 CB PRO A 38 -7.335 0.379 -9.849 1.00 0.00 C ATOM 612 CG PRO A 38 -7.915 0.073 -8.468 1.00 0.00 C ATOM 613 CD PRO A 38 -7.265 -1.253 -8.082 1.00 0.00 C ATOM 0 HA PRO A 38 -5.677 -0.663 -10.809 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.269 1.453 -10.024 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.957 -0.035 -10.642 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.676 0.859 -7.751 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.001 -0.009 -8.500 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.069 -1.292 -7.010 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.922 -2.090 -8.317 1.00 0.00 H new ATOM 621 N ASP A 39 -4.402 0.813 -8.229 1.00 0.00 N ATOM 622 CA ASP A 39 -3.295 1.666 -7.806 1.00 0.00 C ATOM 623 C ASP A 39 -1.983 1.133 -8.382 1.00 0.00 C ATOM 624 O ASP A 39 -1.416 0.160 -7.881 1.00 0.00 O ATOM 625 CB ASP A 39 -3.216 1.762 -6.275 1.00 0.00 C ATOM 626 CG ASP A 39 -2.015 2.606 -5.802 1.00 0.00 C ATOM 627 OD1 ASP A 39 -1.397 3.326 -6.620 1.00 0.00 O ATOM 628 OD2 ASP A 39 -1.717 2.581 -4.588 1.00 0.00 O ATOM 0 H ASP A 39 -4.809 0.268 -7.469 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.470 2.672 -8.188 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.138 2.200 -5.893 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.141 0.759 -5.854 1.00 0.00 H new ATOM 633 N LYS A 40 -1.490 1.777 -9.442 1.00 0.00 N ATOM 634 CA LYS A 40 -0.242 1.399 -10.100 1.00 0.00 C ATOM 635 C LYS A 40 0.985 1.545 -9.193 1.00 0.00 C ATOM 636 O LYS A 40 2.024 0.965 -9.507 1.00 0.00 O ATOM 637 CB LYS A 40 -0.084 2.191 -11.409 1.00 0.00 C ATOM 638 CG LYS A 40 -1.164 1.793 -12.430 1.00 0.00 C ATOM 639 CD LYS A 40 -0.745 2.112 -13.870 1.00 0.00 C ATOM 640 CE LYS A 40 -1.861 1.701 -14.840 1.00 0.00 C ATOM 641 NZ LYS A 40 -1.444 1.826 -16.258 1.00 0.00 N ATOM 0 H LYS A 40 -1.950 2.581 -9.869 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.302 0.336 -10.334 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.151 3.259 -11.202 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.904 2.009 -11.831 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.370 0.726 -12.341 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.091 2.317 -12.199 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.538 3.177 -13.970 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.176 1.583 -14.116 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.154 0.671 -14.639 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.739 2.322 -14.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.244 1.587 -16.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.140 2.803 -16.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.654 1.176 -16.446 1.00 0.00 H new ATOM 655 N ASN A 41 0.885 2.276 -8.078 1.00 0.00 N ATOM 656 CA ASN A 41 1.972 2.471 -7.120 1.00 0.00 C ATOM 657 C ASN A 41 1.822 1.509 -5.928 1.00 0.00 C ATOM 658 O ASN A 41 2.541 1.645 -4.938 1.00 0.00 O ATOM 659 CB ASN A 41 2.004 3.946 -6.672 1.00 0.00 C ATOM 660 CG ASN A 41 3.406 4.444 -6.313 1.00 0.00 C ATOM 661 OD1 ASN A 41 3.938 5.339 -6.965 1.00 0.00 O ATOM 662 ND2 ASN A 41 4.035 3.911 -5.282 1.00 0.00 N ATOM 0 H ASN A 41 0.026 2.758 -7.813 1.00 0.00 H new ATOM 0 HA ASN A 41 2.925 2.241 -7.596 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.599 4.569 -7.470 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.351 4.070 -5.808 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.965 4.242 -5.025 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.591 3.168 -4.742 1.00 0.00 H new ATOM 669 N ASP A 42 0.891 0.548 -5.969 1.00 0.00 N ATOM 670 CA ASP A 42 0.858 -0.516 -4.966 1.00 0.00 C ATOM 671 C ASP A 42 2.130 -1.347 -5.084 1.00 0.00 C ATOM 672 O ASP A 42 2.625 -1.565 -6.195 1.00 0.00 O ATOM 673 CB ASP A 42 -0.329 -1.453 -5.164 1.00 0.00 C ATOM 674 CG ASP A 42 -0.528 -2.319 -3.922 1.00 0.00 C ATOM 675 OD1 ASP A 42 -1.199 -1.842 -2.981 1.00 0.00 O ATOM 676 OD2 ASP A 42 0.007 -3.446 -3.887 1.00 0.00 O ATOM 0 H ASP A 42 0.160 0.487 -6.678 1.00 0.00 H new ATOM 0 HA ASP A 42 0.772 -0.043 -3.988 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.231 -0.873 -5.361 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.161 -2.086 -6.035 1.00 0.00 H new ATOM 681 N THR A 43 2.644 -1.844 -3.964 1.00 0.00 N ATOM 682 CA THR A 43 3.738 -2.791 -3.968 1.00 0.00 C ATOM 683 C THR A 43 3.230 -4.176 -4.381 1.00 0.00 C ATOM 684 O THR A 43 2.985 -5.051 -3.548 1.00 0.00 O ATOM 685 CB THR A 43 4.509 -2.772 -2.647 1.00 0.00 C ATOM 686 OG1 THR A 43 4.830 -1.441 -2.289 1.00 0.00 O ATOM 687 CG2 THR A 43 5.784 -3.588 -2.830 1.00 0.00 C ATOM 0 H THR A 43 2.310 -1.598 -3.032 1.00 0.00 H new ATOM 0 HA THR A 43 4.471 -2.493 -4.718 1.00 0.00 H new ATOM 0 HB THR A 43 3.900 -3.200 -1.851 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.308 -1.010 -3.028 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.352 -3.589 -1.900 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.525 -4.612 -3.098 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.388 -3.147 -3.623 1.00 0.00 H new ATOM 695 N VAL A 44 3.054 -4.360 -5.686 1.00 0.00 N ATOM 696 CA VAL A 44 2.630 -5.619 -6.271 1.00 0.00 C ATOM 697 C VAL A 44 3.843 -6.546 -6.270 1.00 0.00 C ATOM 698 O VAL A 44 4.700 -6.459 -7.156 1.00 0.00 O ATOM 699 CB VAL A 44 2.039 -5.411 -7.685 1.00 0.00 C ATOM 700 CG1 VAL A 44 1.323 -6.689 -8.133 1.00 0.00 C ATOM 701 CG2 VAL A 44 1.017 -4.267 -7.717 1.00 0.00 C ATOM 0 H VAL A 44 3.206 -3.623 -6.375 1.00 0.00 H new ATOM 0 HA VAL A 44 1.826 -6.069 -5.688 1.00 0.00 H new ATOM 0 HB VAL A 44 2.868 -5.165 -8.348 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.906 -6.542 -9.130 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.033 -7.516 -8.155 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.519 -6.920 -7.434 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.627 -4.156 -8.729 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.197 -4.492 -7.035 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.500 -3.339 -7.410 1.00 0.00 H new ATOM 711 N LYS A 45 3.951 -7.404 -5.255 1.00 0.00 N ATOM 712 CA LYS A 45 4.930 -8.479 -5.284 1.00 0.00 C ATOM 713 C LYS A 45 4.421 -9.512 -6.278 1.00 0.00 C ATOM 714 O LYS A 45 3.232 -9.841 -6.243 1.00 0.00 O ATOM 715 CB LYS A 45 5.117 -9.137 -3.913 1.00 0.00 C ATOM 716 CG LYS A 45 5.398 -8.149 -2.776 1.00 0.00 C ATOM 717 CD LYS A 45 5.678 -8.930 -1.486 1.00 0.00 C ATOM 718 CE LYS A 45 5.657 -8.014 -0.262 1.00 0.00 C ATOM 719 NZ LYS A 45 6.874 -7.184 -0.116 1.00 0.00 N ATOM 0 H LYS A 45 3.377 -7.373 -4.413 1.00 0.00 H new ATOM 0 HA LYS A 45 5.901 -8.074 -5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.220 -9.707 -3.671 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.941 -9.848 -3.973 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.252 -7.520 -3.027 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.545 -7.486 -2.636 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.933 -9.716 -1.366 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.649 -9.420 -1.559 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.788 -7.360 -0.324 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.534 -8.623 0.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.611 -6.240 0.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.521 -7.634 0.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.346 -7.095 -1.038 1.00 0.00 H new ATOM 733 N VAL A 46 5.304 -10.086 -7.087 1.00 0.00 N ATOM 734 CA VAL A 46 4.967 -11.196 -7.969 1.00 0.00 C ATOM 735 C VAL A 46 5.835 -12.387 -7.583 1.00 0.00 C ATOM 736 O VAL A 46 7.046 -12.231 -7.397 1.00 0.00 O ATOM 737 CB VAL A 46 5.090 -10.790 -9.453 1.00 0.00 C ATOM 738 CG1 VAL A 46 3.976 -9.802 -9.831 1.00 0.00 C ATOM 739 CG2 VAL A 46 6.446 -10.172 -9.832 1.00 0.00 C ATOM 0 H VAL A 46 6.279 -9.793 -7.149 1.00 0.00 H new ATOM 0 HA VAL A 46 3.923 -11.484 -7.847 1.00 0.00 H new ATOM 0 HB VAL A 46 4.998 -11.721 -10.012 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.076 -9.525 -10.880 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.005 -10.270 -9.670 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.056 -8.909 -9.211 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.446 -9.916 -10.892 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.613 -9.271 -9.241 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.242 -10.890 -9.632 1.00 0.00 H new ATOM 749 N TYR A 47 5.234 -13.572 -7.459 1.00 0.00 N ATOM 750 CA TYR A 47 5.952 -14.806 -7.158 1.00 0.00 C ATOM 751 C TYR A 47 5.336 -15.984 -7.918 1.00 0.00 C ATOM 752 O TYR A 47 4.222 -15.873 -8.435 1.00 0.00 O ATOM 753 CB TYR A 47 6.001 -15.050 -5.642 1.00 0.00 C ATOM 754 CG TYR A 47 4.768 -15.680 -5.017 1.00 0.00 C ATOM 755 CD1 TYR A 47 4.657 -17.082 -4.965 1.00 0.00 C ATOM 756 CD2 TYR A 47 3.744 -14.880 -4.472 1.00 0.00 C ATOM 757 CE1 TYR A 47 3.522 -17.690 -4.414 1.00 0.00 C ATOM 758 CE2 TYR A 47 2.623 -15.485 -3.872 1.00 0.00 C ATOM 759 CZ TYR A 47 2.504 -16.893 -3.852 1.00 0.00 C ATOM 760 OH TYR A 47 1.403 -17.491 -3.314 1.00 0.00 O ATOM 0 H TYR A 47 4.228 -13.700 -7.566 1.00 0.00 H new ATOM 0 HA TYR A 47 6.983 -14.708 -7.498 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.857 -15.689 -5.427 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.184 -14.095 -5.148 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.456 -17.696 -5.354 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.819 -13.803 -4.514 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.427 -18.766 -4.420 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.853 -14.872 -3.427 1.00 0.00 H new ATOM 0 HH TYR A 47 0.795 -16.805 -2.967 1.00 0.00 H new ATOM 770 N CYS A 48 6.063 -17.102 -8.008 1.00 0.00 N ATOM 771 CA CYS A 48 5.597 -18.343 -8.600 1.00 0.00 C ATOM 772 C CYS A 48 6.262 -19.537 -7.901 1.00 0.00 C ATOM 773 O CYS A 48 6.417 -19.521 -6.681 1.00 0.00 O ATOM 774 CB CYS A 48 5.788 -18.284 -10.130 1.00 0.00 C ATOM 775 SG CYS A 48 7.544 -18.144 -10.576 1.00 0.00 S ATOM 0 H CYS A 48 7.019 -17.162 -7.658 1.00 0.00 H new ATOM 0 HA CYS A 48 4.527 -18.483 -8.444 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.366 -19.180 -10.585 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.240 -17.433 -10.534 1.00 0.00 H new ATOM 0 HG CYS A 48 7.982 -16.965 -10.248 1.00 0.00 H new ATOM 781 N ASN A 49 6.626 -20.596 -8.635 1.00 0.00 N ATOM 782 CA ASN A 49 7.212 -21.800 -8.038 1.00 0.00 C ATOM 783 C ASN A 49 8.590 -21.493 -7.441 1.00 0.00 C ATOM 784 O ASN A 49 8.845 -21.809 -6.277 1.00 0.00 O ATOM 785 CB ASN A 49 7.288 -22.919 -9.090 1.00 0.00 C ATOM 786 CG ASN A 49 7.718 -24.239 -8.459 1.00 0.00 C ATOM 787 OD1 ASN A 49 8.890 -24.453 -8.170 1.00 0.00 O ATOM 788 ND2 ASN A 49 6.784 -25.150 -8.238 1.00 0.00 N ATOM 0 H ASN A 49 6.524 -20.642 -9.649 1.00 0.00 H new ATOM 0 HA ASN A 49 6.574 -22.141 -7.222 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.315 -23.040 -9.567 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.994 -22.639 -9.872 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.035 -26.047 -7.821 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.814 -24.956 -8.484 1.00 0.00 H new ATOM 795 N ALA A 50 9.451 -20.807 -8.206 1.00 0.00 N ATOM 796 CA ALA A 50 10.806 -20.446 -7.776 1.00 0.00 C ATOM 797 C ALA A 50 11.339 -19.138 -8.391 1.00 0.00 C ATOM 798 O ALA A 50 12.399 -18.677 -7.968 1.00 0.00 O ATOM 799 CB ALA A 50 11.752 -21.604 -8.124 1.00 0.00 C ATOM 0 H ALA A 50 9.223 -20.486 -9.147 1.00 0.00 H new ATOM 0 HA ALA A 50 10.761 -20.269 -6.701 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.765 -21.353 -7.811 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.426 -22.507 -7.608 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.737 -21.775 -9.200 1.00 0.00 H new ATOM 805 N GLY A 51 10.651 -18.542 -9.376 1.00 0.00 N ATOM 806 CA GLY A 51 11.113 -17.331 -10.066 1.00 0.00 C ATOM 807 C GLY A 51 10.831 -17.335 -11.573 1.00 0.00 C ATOM 808 O GLY A 51 10.797 -16.270 -12.193 1.00 0.00 O ATOM 0 H GLY A 51 9.755 -18.889 -9.717 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.632 -16.462 -9.618 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.185 -17.219 -9.906 1.00 0.00 H new ATOM 812 N ARG A 52 10.616 -18.522 -12.166 1.00 0.00 N ATOM 813 CA ARG A 52 10.571 -18.743 -13.619 1.00 0.00 C ATOM 814 C ARG A 52 9.664 -17.787 -14.400 1.00 0.00 C ATOM 815 O ARG A 52 9.994 -17.456 -15.539 1.00 0.00 O ATOM 816 CB ARG A 52 10.232 -20.220 -13.927 1.00 0.00 C ATOM 817 CG ARG A 52 8.743 -20.565 -13.742 1.00 0.00 C ATOM 818 CD ARG A 52 8.417 -22.032 -14.034 1.00 0.00 C ATOM 819 NE ARG A 52 6.962 -22.186 -14.204 1.00 0.00 N ATOM 820 CZ ARG A 52 6.284 -23.310 -14.447 1.00 0.00 C ATOM 821 NH1 ARG A 52 6.892 -24.494 -14.460 1.00 0.00 N ATOM 822 NH2 ARG A 52 4.981 -23.209 -14.677 1.00 0.00 N ATOM 0 H ARG A 52 10.465 -19.377 -11.631 1.00 0.00 H new ATOM 0 HA ARG A 52 11.574 -18.511 -13.978 1.00 0.00 H new ATOM 0 HB2 ARG A 52 10.523 -20.444 -14.953 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.828 -20.863 -13.279 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.448 -20.332 -12.719 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.147 -19.931 -14.398 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.936 -22.359 -14.935 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.768 -22.663 -13.218 1.00 0.00 H new ATOM 0 HE ARG A 52 6.407 -21.334 -14.127 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.895 -24.554 -14.282 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.355 -25.341 -14.648 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.530 -22.294 -14.664 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.430 -24.046 -14.866 1.00 0.00 H new ATOM 836 N GLN A 53 8.534 -17.361 -13.821 1.00 0.00 N ATOM 837 CA GLN A 53 7.538 -16.530 -14.504 1.00 0.00 C ATOM 838 C GLN A 53 7.242 -15.243 -13.736 1.00 0.00 C ATOM 839 O GLN A 53 6.828 -14.266 -14.354 1.00 0.00 O ATOM 840 CB GLN A 53 6.279 -17.349 -14.867 1.00 0.00 C ATOM 841 CG GLN A 53 5.559 -18.076 -13.717 1.00 0.00 C ATOM 842 CD GLN A 53 4.548 -19.097 -14.248 1.00 0.00 C ATOM 843 OE1 GLN A 53 4.894 -20.250 -14.496 1.00 0.00 O ATOM 844 NE2 GLN A 53 3.288 -18.731 -14.421 1.00 0.00 N ATOM 0 H GLN A 53 8.285 -17.586 -12.858 1.00 0.00 H new ATOM 0 HA GLN A 53 7.963 -16.201 -15.452 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.564 -16.677 -15.343 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.562 -18.092 -15.612 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.292 -18.581 -13.088 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.047 -17.348 -13.088 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.002 -17.774 -14.215 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.603 -19.406 -14.760 1.00 0.00 H new ATOM 853 N SER A 54 7.530 -15.172 -12.434 1.00 0.00 N ATOM 854 CA SER A 54 7.478 -13.919 -11.690 1.00 0.00 C ATOM 855 C SER A 54 8.556 -12.946 -12.171 1.00 0.00 C ATOM 856 O SER A 54 8.317 -11.738 -12.190 1.00 0.00 O ATOM 857 CB SER A 54 7.599 -14.215 -10.195 1.00 0.00 C ATOM 858 OG SER A 54 8.581 -15.210 -9.969 1.00 0.00 O ATOM 0 H SER A 54 7.804 -15.978 -11.872 1.00 0.00 H new ATOM 0 HA SER A 54 6.520 -13.432 -11.869 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.864 -13.305 -9.657 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.637 -14.548 -9.804 1.00 0.00 H new ATOM 0 HG SER A 54 8.528 -15.516 -9.040 1.00 0.00 H new ATOM 864 N GLY A 55 9.729 -13.447 -12.582 1.00 0.00 N ATOM 865 CA GLY A 55 10.786 -12.620 -13.156 1.00 0.00 C ATOM 866 C GLY A 55 10.273 -11.868 -14.381 1.00 0.00 C ATOM 867 O GLY A 55 10.409 -10.647 -14.466 1.00 0.00 O ATOM 0 H GLY A 55 9.967 -14.437 -12.524 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.145 -11.910 -12.411 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.634 -13.246 -13.435 1.00 0.00 H new ATOM 871 N GLN A 56 9.610 -12.583 -15.296 1.00 0.00 N ATOM 872 CA GLN A 56 9.001 -11.980 -16.474 1.00 0.00 C ATOM 873 C GLN A 56 7.825 -11.079 -16.076 1.00 0.00 C ATOM 874 O GLN A 56 7.651 -10.011 -16.671 1.00 0.00 O ATOM 875 CB GLN A 56 8.578 -13.095 -17.450 1.00 0.00 C ATOM 876 CG GLN A 56 8.038 -12.587 -18.794 1.00 0.00 C ATOM 877 CD GLN A 56 9.028 -11.712 -19.566 1.00 0.00 C ATOM 878 OE1 GLN A 56 9.809 -12.195 -20.382 1.00 0.00 O ATOM 879 NE2 GLN A 56 9.021 -10.408 -19.327 1.00 0.00 N ATOM 0 H GLN A 56 9.484 -13.593 -15.236 1.00 0.00 H new ATOM 0 HA GLN A 56 9.725 -11.341 -16.979 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.435 -13.742 -17.637 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.814 -13.708 -16.973 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.765 -13.442 -19.412 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.126 -12.018 -18.617 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.368 -10.018 -18.647 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.668 -9.795 -19.823 1.00 0.00 H new ATOM 888 N ALA A 57 7.035 -11.480 -15.074 1.00 0.00 N ATOM 889 CA ALA A 57 5.874 -10.728 -14.617 1.00 0.00 C ATOM 890 C ALA A 57 6.250 -9.347 -14.094 1.00 0.00 C ATOM 891 O ALA A 57 5.503 -8.402 -14.341 1.00 0.00 O ATOM 892 CB ALA A 57 5.122 -11.498 -13.533 1.00 0.00 C ATOM 0 H ALA A 57 7.190 -12.345 -14.556 1.00 0.00 H new ATOM 0 HA ALA A 57 5.227 -10.594 -15.484 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.259 -10.918 -13.207 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.786 -12.455 -13.933 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.784 -11.672 -12.685 1.00 0.00 H new ATOM 898 N LYS A 58 7.396 -9.201 -13.414 1.00 0.00 N ATOM 899 CA LYS A 58 7.840 -7.888 -12.947 1.00 0.00 C ATOM 900 C LYS A 58 7.936 -6.923 -14.134 1.00 0.00 C ATOM 901 O LYS A 58 7.505 -5.772 -14.042 1.00 0.00 O ATOM 902 CB LYS A 58 9.167 -7.984 -12.169 1.00 0.00 C ATOM 903 CG LYS A 58 9.618 -6.574 -11.748 1.00 0.00 C ATOM 904 CD LYS A 58 10.789 -6.529 -10.756 1.00 0.00 C ATOM 905 CE LYS A 58 11.663 -5.283 -10.976 1.00 0.00 C ATOM 906 NZ LYS A 58 12.539 -5.396 -12.171 1.00 0.00 N ATOM 0 H LYS A 58 8.024 -9.970 -13.179 1.00 0.00 H new ATOM 0 HA LYS A 58 7.103 -7.495 -12.247 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.040 -8.615 -11.289 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.932 -8.452 -12.789 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.899 -6.018 -12.642 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.768 -6.056 -11.305 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.404 -6.530 -9.736 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.397 -7.426 -10.868 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.021 -4.409 -11.084 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.281 -5.118 -10.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.105 -4.529 -12.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.173 -6.213 -12.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.953 -5.526 -13.020 1.00 0.00 H new ATOM 920 N GLU A 59 8.474 -7.387 -15.261 1.00 0.00 N ATOM 921 CA GLU A 59 8.728 -6.533 -16.412 1.00 0.00 C ATOM 922 C GLU A 59 7.426 -6.292 -17.178 1.00 0.00 C ATOM 923 O GLU A 59 7.197 -5.190 -17.666 1.00 0.00 O ATOM 924 CB GLU A 59 9.801 -7.163 -17.315 1.00 0.00 C ATOM 925 CG GLU A 59 11.139 -7.417 -16.598 1.00 0.00 C ATOM 926 CD GLU A 59 11.737 -6.145 -15.969 1.00 0.00 C ATOM 927 OE1 GLU A 59 12.300 -5.306 -16.710 1.00 0.00 O ATOM 928 OE2 GLU A 59 11.665 -5.988 -14.729 1.00 0.00 O ATOM 0 H GLU A 59 8.744 -8.361 -15.398 1.00 0.00 H new ATOM 0 HA GLU A 59 9.105 -5.569 -16.070 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.424 -8.107 -17.708 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.975 -6.509 -18.169 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.991 -8.165 -15.819 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.852 -7.834 -17.309 1.00 0.00 H new ATOM 935 N ILE A 60 6.537 -7.286 -17.236 1.00 0.00 N ATOM 936 CA ILE A 60 5.215 -7.151 -17.843 1.00 0.00 C ATOM 937 C ILE A 60 4.378 -6.131 -17.053 1.00 0.00 C ATOM 938 O ILE A 60 3.707 -5.292 -17.654 1.00 0.00 O ATOM 939 CB ILE A 60 4.588 -8.565 -17.955 1.00 0.00 C ATOM 940 CG1 ILE A 60 5.252 -9.309 -19.139 1.00 0.00 C ATOM 941 CG2 ILE A 60 3.064 -8.542 -18.120 1.00 0.00 C ATOM 942 CD1 ILE A 60 4.823 -10.772 -19.306 1.00 0.00 C ATOM 0 H ILE A 60 6.718 -8.216 -16.858 1.00 0.00 H new ATOM 0 HA ILE A 60 5.267 -6.749 -18.855 1.00 0.00 H new ATOM 0 HB ILE A 60 4.776 -9.088 -17.017 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.025 -8.772 -20.060 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.334 -9.276 -19.009 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.690 -9.563 -18.192 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.612 -8.050 -17.258 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.804 -7.996 -19.027 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.341 -11.208 -20.160 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.076 -11.330 -18.405 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.747 -10.819 -19.472 1.00 0.00 H new ATOM 954 N LEU A 61 4.433 -6.138 -15.718 1.00 0.00 N ATOM 955 CA LEU A 61 3.745 -5.129 -14.916 1.00 0.00 C ATOM 956 C LEU A 61 4.426 -3.763 -15.052 1.00 0.00 C ATOM 957 O LEU A 61 3.740 -2.740 -15.048 1.00 0.00 O ATOM 958 CB LEU A 61 3.661 -5.558 -13.443 1.00 0.00 C ATOM 959 CG LEU A 61 2.680 -6.710 -13.149 1.00 0.00 C ATOM 960 CD1 LEU A 61 2.671 -6.965 -11.638 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.247 -6.409 -13.616 1.00 0.00 C ATOM 0 H LEU A 61 4.946 -6.831 -15.173 1.00 0.00 H new ATOM 0 HA LEU A 61 2.727 -5.036 -15.296 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.656 -5.856 -13.111 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.371 -4.694 -12.846 1.00 0.00 H new ATOM 0 HG LEU A 61 3.020 -7.585 -13.703 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.982 -7.778 -11.410 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.674 -7.237 -11.309 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.351 -6.062 -11.118 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.603 -7.256 -13.382 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.877 -5.520 -13.105 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.244 -6.237 -14.692 1.00 0.00 H new ATOM 973 N SER A 62 5.749 -3.721 -15.233 1.00 0.00 N ATOM 974 CA SER A 62 6.444 -2.475 -15.546 1.00 0.00 C ATOM 975 C SER A 62 5.963 -1.917 -16.895 1.00 0.00 C ATOM 976 O SER A 62 5.759 -0.711 -17.019 1.00 0.00 O ATOM 977 CB SER A 62 7.963 -2.686 -15.545 1.00 0.00 C ATOM 978 OG SER A 62 8.412 -3.227 -14.316 1.00 0.00 O ATOM 0 H SER A 62 6.358 -4.537 -15.168 1.00 0.00 H new ATOM 0 HA SER A 62 6.209 -1.743 -14.773 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.239 -3.355 -16.360 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.463 -1.735 -15.729 1.00 0.00 H new ATOM 0 HG SER A 62 8.121 -4.160 -14.243 1.00 0.00 H new ATOM 984 N GLU A 63 5.711 -2.777 -17.889 1.00 0.00 N ATOM 985 CA GLU A 63 5.165 -2.394 -19.188 1.00 0.00 C ATOM 986 C GLU A 63 3.719 -1.885 -19.045 1.00 0.00 C ATOM 987 O GLU A 63 3.336 -0.923 -19.712 1.00 0.00 O ATOM 988 CB GLU A 63 5.291 -3.585 -20.155 1.00 0.00 C ATOM 989 CG GLU A 63 4.843 -3.245 -21.581 1.00 0.00 C ATOM 990 CD GLU A 63 5.141 -4.396 -22.558 1.00 0.00 C ATOM 991 OE1 GLU A 63 4.276 -5.281 -22.749 1.00 0.00 O ATOM 992 OE2 GLU A 63 6.234 -4.414 -23.170 1.00 0.00 O ATOM 0 H GLU A 63 5.886 -3.778 -17.807 1.00 0.00 H new ATOM 0 HA GLU A 63 5.734 -1.563 -19.605 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.327 -3.922 -20.176 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.693 -4.416 -19.780 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.774 -3.030 -21.586 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.351 -2.341 -21.917 1.00 0.00 H new ATOM 999 N MET A 64 2.937 -2.463 -18.122 1.00 0.00 N ATOM 1000 CA MET A 64 1.623 -1.950 -17.714 1.00 0.00 C ATOM 1001 C MET A 64 1.724 -0.609 -16.966 1.00 0.00 C ATOM 1002 O MET A 64 0.696 0.009 -16.677 1.00 0.00 O ATOM 1003 CB MET A 64 0.895 -2.988 -16.841 1.00 0.00 C ATOM 1004 CG MET A 64 0.382 -4.184 -17.647 1.00 0.00 C ATOM 1005 SD MET A 64 -1.196 -3.881 -18.493 1.00 0.00 S ATOM 1006 CE MET A 64 -2.325 -4.029 -17.077 1.00 0.00 C ATOM 0 H MET A 64 3.206 -3.315 -17.630 1.00 0.00 H new ATOM 0 HA MET A 64 1.051 -1.771 -18.624 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.573 -3.343 -16.064 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.056 -2.508 -16.337 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.133 -4.459 -18.388 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.266 -5.037 -16.978 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.356 -4.031 -17.432 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.122 -4.959 -16.546 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.175 -3.186 -16.403 1.00 0.00 H new ATOM 1016 N GLY A 65 2.931 -0.140 -16.642 1.00 0.00 N ATOM 1017 CA GLY A 65 3.164 1.147 -16.008 1.00 0.00 C ATOM 1018 C GLY A 65 3.014 1.092 -14.490 1.00 0.00 C ATOM 1019 O GLY A 65 2.861 2.145 -13.873 1.00 0.00 O ATOM 0 H GLY A 65 3.789 -0.661 -16.820 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.167 1.494 -16.257 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.464 1.878 -16.412 1.00 0.00 H new ATOM 1023 N TYR A 66 3.019 -0.097 -13.875 1.00 0.00 N ATOM 1024 CA TYR A 66 3.037 -0.212 -12.421 1.00 0.00 C ATOM 1025 C TYR A 66 4.418 0.248 -11.951 1.00 0.00 C ATOM 1026 O TYR A 66 5.443 -0.241 -12.431 1.00 0.00 O ATOM 1027 CB TYR A 66 2.652 -1.626 -11.956 1.00 0.00 C ATOM 1028 CG TYR A 66 1.150 -1.894 -11.988 1.00 0.00 C ATOM 1029 CD1 TYR A 66 0.428 -1.817 -13.197 1.00 0.00 C ATOM 1030 CD2 TYR A 66 0.458 -2.171 -10.791 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -0.973 -1.932 -13.201 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -0.942 -2.318 -10.791 1.00 0.00 C ATOM 1033 CZ TYR A 66 -1.669 -2.146 -11.990 1.00 0.00 C ATOM 1034 OH TYR A 66 -3.030 -2.162 -11.985 1.00 0.00 O ATOM 0 H TYR A 66 3.011 -0.991 -14.367 1.00 0.00 H new ATOM 0 HA TYR A 66 2.281 0.426 -11.964 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.156 -2.357 -12.588 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.018 -1.777 -10.940 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.956 -1.668 -14.127 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.007 -2.271 -9.866 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.518 -1.857 -14.130 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.460 -2.562 -9.875 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.354 -2.143 -11.060 1.00 0.00 H new ATOM 1044 N THR A 67 4.443 1.217 -11.040 1.00 0.00 N ATOM 1045 CA THR A 67 5.635 1.959 -10.649 1.00 0.00 C ATOM 1046 C THR A 67 6.337 1.358 -9.430 1.00 0.00 C ATOM 1047 O THR A 67 7.458 1.767 -9.119 1.00 0.00 O ATOM 1048 CB THR A 67 5.224 3.422 -10.387 1.00 0.00 C ATOM 1049 OG1 THR A 67 4.075 3.469 -9.559 1.00 0.00 O ATOM 1050 CG2 THR A 67 4.880 4.150 -11.690 1.00 0.00 C ATOM 0 H THR A 67 3.607 1.516 -10.538 1.00 0.00 H new ATOM 0 HA THR A 67 6.361 1.905 -11.460 1.00 0.00 H new ATOM 0 HB THR A 67 6.073 3.908 -9.906 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.198 4.153 -8.868 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.595 5.178 -11.468 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.749 4.149 -12.348 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.051 3.642 -12.183 1.00 0.00 H new ATOM 1058 N HIS A 68 5.712 0.393 -8.744 1.00 0.00 N ATOM 1059 CA HIS A 68 6.186 -0.099 -7.453 1.00 0.00 C ATOM 1060 C HIS A 68 6.176 -1.629 -7.390 1.00 0.00 C ATOM 1061 O HIS A 68 6.031 -2.225 -6.325 1.00 0.00 O ATOM 1062 CB HIS A 68 5.381 0.586 -6.330 1.00 0.00 C ATOM 1063 CG HIS A 68 6.218 1.034 -5.163 1.00 0.00 C ATOM 1064 ND1 HIS A 68 6.267 0.477 -3.905 1.00 0.00 N ATOM 1065 CD2 HIS A 68 7.008 2.150 -5.143 1.00 0.00 C ATOM 1066 CE1 HIS A 68 7.074 1.237 -3.147 1.00 0.00 C ATOM 1067 NE2 HIS A 68 7.558 2.274 -3.859 1.00 0.00 N ATOM 0 H HIS A 68 4.863 -0.067 -9.072 1.00 0.00 H new ATOM 0 HA HIS A 68 7.233 0.169 -7.312 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.862 1.450 -6.744 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.617 -0.104 -5.972 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.179 2.820 -5.973 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.304 1.044 -2.110 1.00 0.00 H new ATOM 0 HE2 HIS A 68 8.194 3.001 -3.531 1.00 0.00 H new ATOM 1075 N VAL A 69 6.324 -2.272 -8.548 1.00 0.00 N ATOM 1076 CA VAL A 69 6.439 -3.718 -8.663 1.00 0.00 C ATOM 1077 C VAL A 69 7.597 -4.225 -7.794 1.00 0.00 C ATOM 1078 O VAL A 69 8.581 -3.511 -7.571 1.00 0.00 O ATOM 1079 CB VAL A 69 6.627 -4.106 -10.143 1.00 0.00 C ATOM 1080 CG1 VAL A 69 5.435 -3.662 -11.000 1.00 0.00 C ATOM 1081 CG2 VAL A 69 7.919 -3.554 -10.769 1.00 0.00 C ATOM 0 H VAL A 69 6.368 -1.790 -9.446 1.00 0.00 H new ATOM 0 HA VAL A 69 5.525 -4.190 -8.303 1.00 0.00 H new ATOM 0 HB VAL A 69 6.698 -5.194 -10.136 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.604 -3.953 -12.037 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.526 -4.138 -10.633 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.327 -2.579 -10.940 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.982 -3.868 -11.811 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.912 -2.465 -10.718 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.781 -3.937 -10.222 1.00 0.00 H new ATOM 1091 N GLU A 70 7.520 -5.479 -7.355 1.00 0.00 N ATOM 1092 CA GLU A 70 8.597 -6.133 -6.634 1.00 0.00 C ATOM 1093 C GLU A 70 8.618 -7.591 -7.072 1.00 0.00 C ATOM 1094 O GLU A 70 7.569 -8.229 -7.159 1.00 0.00 O ATOM 1095 CB GLU A 70 8.357 -5.980 -5.123 1.00 0.00 C ATOM 1096 CG GLU A 70 9.601 -6.365 -4.321 1.00 0.00 C ATOM 1097 CD GLU A 70 9.470 -5.975 -2.839 1.00 0.00 C ATOM 1098 OE1 GLU A 70 8.561 -6.489 -2.151 1.00 0.00 O ATOM 1099 OE2 GLU A 70 10.291 -5.165 -2.348 1.00 0.00 O ATOM 0 H GLU A 70 6.700 -6.070 -7.493 1.00 0.00 H new ATOM 0 HA GLU A 70 9.567 -5.686 -6.852 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.082 -4.949 -4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.518 -6.607 -4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.766 -7.439 -4.401 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.475 -5.875 -4.750 1.00 0.00 H new ATOM 1106 N ASN A 71 9.797 -8.135 -7.370 1.00 0.00 N ATOM 1107 CA ASN A 71 9.912 -9.565 -7.615 1.00 0.00 C ATOM 1108 C ASN A 71 10.135 -10.257 -6.274 1.00 0.00 C ATOM 1109 O ASN A 71 10.992 -9.825 -5.500 1.00 0.00 O ATOM 1110 CB ASN A 71 11.063 -9.869 -8.573 1.00 0.00 C ATOM 1111 CG ASN A 71 11.025 -11.349 -8.905 1.00 0.00 C ATOM 1112 OD1 ASN A 71 11.666 -12.165 -8.255 1.00 0.00 O ATOM 1113 ND2 ASN A 71 10.203 -11.737 -9.863 1.00 0.00 N ATOM 0 H ASN A 71 10.671 -7.614 -7.446 1.00 0.00 H new ATOM 0 HA ASN A 71 8.999 -9.932 -8.083 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.969 -9.273 -9.481 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.017 -9.606 -8.116 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.095 -12.730 -10.071 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.676 -11.044 -10.395 1.00 0.00 H new ATOM 1120 N ALA A 72 9.393 -11.334 -6.013 1.00 0.00 N ATOM 1121 CA ALA A 72 9.450 -12.091 -4.768 1.00 0.00 C ATOM 1122 C ALA A 72 9.800 -13.567 -5.029 1.00 0.00 C ATOM 1123 O ALA A 72 9.556 -14.417 -4.174 1.00 0.00 O ATOM 1124 CB ALA A 72 8.135 -11.897 -4.001 1.00 0.00 C ATOM 0 H ALA A 72 8.720 -11.711 -6.680 1.00 0.00 H new ATOM 0 HA ALA A 72 10.255 -11.714 -4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.171 -12.461 -3.069 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.995 -10.839 -3.780 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.303 -12.254 -4.609 1.00 0.00 H new ATOM 1130 N GLY A 73 10.391 -13.877 -6.191 1.00 0.00 N ATOM 1131 CA GLY A 73 10.921 -15.197 -6.509 1.00 0.00 C ATOM 1132 C GLY A 73 9.808 -16.231 -6.561 1.00 0.00 C ATOM 1133 O GLY A 73 8.924 -16.150 -7.420 1.00 0.00 O ATOM 0 H GLY A 73 10.513 -13.201 -6.945 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.437 -15.164 -7.468 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.658 -15.487 -5.760 1.00 0.00 H new ATOM 1137 N GLY A 74 9.830 -17.206 -5.655 1.00 0.00 N ATOM 1138 CA GLY A 74 8.795 -18.214 -5.583 1.00 0.00 C ATOM 1139 C GLY A 74 8.889 -19.040 -4.315 1.00 0.00 C ATOM 1140 O GLY A 74 9.827 -18.888 -3.532 1.00 0.00 O ATOM 0 H GLY A 74 10.566 -17.313 -4.957 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.818 -17.733 -5.630 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.869 -18.871 -6.449 1.00 0.00 H new ATOM 1144 N LEU A 75 7.902 -19.911 -4.105 1.00 0.00 N ATOM 1145 CA LEU A 75 7.689 -20.637 -2.852 1.00 0.00 C ATOM 1146 C LEU A 75 8.907 -21.422 -2.368 1.00 0.00 C ATOM 1147 O LEU A 75 9.031 -21.622 -1.158 1.00 0.00 O ATOM 1148 CB LEU A 75 6.509 -21.610 -2.995 1.00 0.00 C ATOM 1149 CG LEU A 75 5.132 -20.940 -3.104 1.00 0.00 C ATOM 1150 CD1 LEU A 75 4.101 -22.015 -3.436 1.00 0.00 C ATOM 1151 CD2 LEU A 75 4.700 -20.232 -1.814 1.00 0.00 C ATOM 0 H LEU A 75 7.210 -20.137 -4.820 1.00 0.00 H new ATOM 0 HA LEU A 75 7.483 -19.869 -2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.669 -22.226 -3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.504 -22.282 -2.136 1.00 0.00 H new ATOM 0 HG LEU A 75 5.200 -20.179 -3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.114 -21.560 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.362 -22.489 -4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.090 -22.765 -2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.719 -19.780 -1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.650 -20.956 -1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.424 -19.456 -1.565 1.00 0.00 H new ATOM 1163 N LYS A 76 9.790 -21.868 -3.268 1.00 0.00 N ATOM 1164 CA LYS A 76 11.008 -22.585 -2.886 1.00 0.00 C ATOM 1165 C LYS A 76 12.053 -21.688 -2.210 1.00 0.00 C ATOM 1166 O LYS A 76 12.994 -22.215 -1.615 1.00 0.00 O ATOM 1167 CB LYS A 76 11.611 -23.302 -4.107 1.00 0.00 C ATOM 1168 CG LYS A 76 10.729 -24.467 -4.584 1.00 0.00 C ATOM 1169 CD LYS A 76 11.420 -25.260 -5.704 1.00 0.00 C ATOM 1170 CE LYS A 76 10.560 -26.424 -6.220 1.00 0.00 C ATOM 1171 NZ LYS A 76 10.403 -27.520 -5.230 1.00 0.00 N ATOM 0 H LYS A 76 9.681 -21.743 -4.274 1.00 0.00 H new ATOM 0 HA LYS A 76 10.715 -23.324 -2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.739 -22.588 -4.920 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.602 -23.678 -3.854 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.511 -25.129 -3.746 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.774 -24.082 -4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.650 -24.588 -6.531 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.369 -25.649 -5.336 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.575 -26.046 -6.493 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.010 -26.825 -7.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.814 -28.274 -5.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.338 -27.905 -4.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.947 -27.150 -4.372 1.00 0.00 H new ATOM 1185 N ASP A 77 11.910 -20.362 -2.276 1.00 0.00 N ATOM 1186 CA ASP A 77 12.882 -19.392 -1.759 1.00 0.00 C ATOM 1187 C ASP A 77 12.239 -18.371 -0.809 1.00 0.00 C ATOM 1188 O ASP A 77 12.941 -17.711 -0.042 1.00 0.00 O ATOM 1189 CB ASP A 77 13.548 -18.680 -2.944 1.00 0.00 C ATOM 1190 CG ASP A 77 14.620 -17.675 -2.488 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.678 -18.105 -1.973 1.00 0.00 O ATOM 1192 OD2 ASP A 77 14.439 -16.454 -2.693 1.00 0.00 O ATOM 0 H ASP A 77 11.095 -19.921 -2.701 1.00 0.00 H new ATOM 0 HA ASP A 77 13.628 -19.931 -1.176 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.003 -19.420 -3.602 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.788 -18.159 -3.527 1.00 0.00 H new ATOM 1197 N ILE A 78 10.907 -18.254 -0.826 1.00 0.00 N ATOM 1198 CA ILE A 78 10.146 -17.358 0.047 1.00 0.00 C ATOM 1199 C ILE A 78 10.356 -17.745 1.523 1.00 0.00 C ATOM 1200 O ILE A 78 10.524 -18.922 1.858 1.00 0.00 O ATOM 1201 CB ILE A 78 8.662 -17.354 -0.406 1.00 0.00 C ATOM 1202 CG1 ILE A 78 8.543 -16.477 -1.672 1.00 0.00 C ATOM 1203 CG2 ILE A 78 7.674 -16.847 0.659 1.00 0.00 C ATOM 1204 CD1 ILE A 78 7.197 -16.576 -2.394 1.00 0.00 C ATOM 0 H ILE A 78 10.317 -18.791 -1.461 1.00 0.00 H new ATOM 0 HA ILE A 78 10.504 -16.332 -0.037 1.00 0.00 H new ATOM 0 HB ILE A 78 8.387 -18.391 -0.597 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.716 -15.437 -1.395 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.334 -16.757 -2.367 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.660 -16.878 0.259 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.735 -17.482 1.543 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.926 -15.822 0.930 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.205 -15.927 -3.270 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.027 -17.606 -2.707 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.399 -16.266 -1.720 1.00 0.00 H new ATOM 1216 N ALA A 79 10.287 -16.739 2.402 1.00 0.00 N ATOM 1217 CA ALA A 79 10.395 -16.846 3.852 1.00 0.00 C ATOM 1218 C ALA A 79 9.245 -16.035 4.469 1.00 0.00 C ATOM 1219 O ALA A 79 9.452 -14.998 5.103 1.00 0.00 O ATOM 1220 CB ALA A 79 11.789 -16.388 4.307 1.00 0.00 C ATOM 0 H ALA A 79 10.146 -15.776 2.098 1.00 0.00 H new ATOM 0 HA ALA A 79 10.298 -17.877 4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.863 -16.470 5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.548 -17.017 3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.946 -15.351 4.010 1.00 0.00 H new ATOM 1226 N MET A 80 8.017 -16.486 4.204 1.00 0.00 N ATOM 1227 CA MET A 80 6.753 -15.867 4.598 1.00 0.00 C ATOM 1228 C MET A 80 5.790 -17.021 4.929 1.00 0.00 C ATOM 1229 O MET A 80 5.923 -18.078 4.302 1.00 0.00 O ATOM 1230 CB MET A 80 6.236 -15.028 3.411 1.00 0.00 C ATOM 1231 CG MET A 80 5.005 -14.171 3.715 1.00 0.00 C ATOM 1232 SD MET A 80 5.290 -12.799 4.867 1.00 0.00 S ATOM 1233 CE MET A 80 3.598 -12.152 4.961 1.00 0.00 C ATOM 0 H MET A 80 7.872 -17.346 3.676 1.00 0.00 H new ATOM 0 HA MET A 80 6.853 -15.208 5.460 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.039 -14.376 3.069 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.998 -15.700 2.586 1.00 0.00 H new ATOM 0 HG2 MET A 80 4.623 -13.765 2.778 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.226 -14.814 4.125 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.574 -11.293 5.632 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.270 -11.846 3.968 1.00 0.00 H new ATOM 0 HE3 MET A 80 2.932 -12.928 5.340 1.00 0.00 H new ATOM 1243 N PRO A 81 4.853 -16.877 5.888 1.00 0.00 N ATOM 1244 CA PRO A 81 3.839 -17.889 6.177 1.00 0.00 C ATOM 1245 C PRO A 81 3.080 -18.359 4.931 1.00 0.00 C ATOM 1246 O PRO A 81 2.920 -17.616 3.957 1.00 0.00 O ATOM 1247 CB PRO A 81 2.898 -17.255 7.206 1.00 0.00 C ATOM 1248 CG PRO A 81 3.811 -16.281 7.945 1.00 0.00 C ATOM 1249 CD PRO A 81 4.730 -15.776 6.835 1.00 0.00 C ATOM 0 HA PRO A 81 4.310 -18.794 6.561 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.063 -16.743 6.728 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.473 -18.000 7.878 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.249 -15.469 8.406 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.370 -16.774 8.741 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.312 -14.892 6.354 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.704 -15.492 7.233 1.00 0.00 H new ATOM 1257 N LYS A 82 2.553 -19.584 4.982 1.00 0.00 N ATOM 1258 CA LYS A 82 1.934 -20.266 3.846 1.00 0.00 C ATOM 1259 C LYS A 82 0.608 -20.899 4.264 1.00 0.00 C ATOM 1260 O LYS A 82 0.240 -20.878 5.442 1.00 0.00 O ATOM 1261 CB LYS A 82 2.895 -21.341 3.295 1.00 0.00 C ATOM 1262 CG LYS A 82 4.204 -20.777 2.717 1.00 0.00 C ATOM 1263 CD LYS A 82 5.029 -21.917 2.107 1.00 0.00 C ATOM 1264 CE LYS A 82 6.320 -21.423 1.437 1.00 0.00 C ATOM 1265 NZ LYS A 82 7.066 -22.542 0.807 1.00 0.00 N ATOM 0 H LYS A 82 2.545 -20.142 5.836 1.00 0.00 H new ATOM 0 HA LYS A 82 1.733 -19.537 3.061 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.136 -22.042 4.094 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.382 -21.908 2.518 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.985 -20.026 1.958 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.775 -20.280 3.501 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.281 -22.635 2.887 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.422 -22.446 1.372 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.077 -20.675 0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.952 -20.934 2.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.686 -22.169 0.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.642 -23.024 1.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.393 -23.218 0.393 1.00 0.00 H new ATOM 1279 N VAL A 83 -0.095 -21.462 3.288 1.00 0.00 N ATOM 1280 CA VAL A 83 -1.260 -22.327 3.421 1.00 0.00 C ATOM 1281 C VAL A 83 -1.068 -23.393 2.337 1.00 0.00 C ATOM 1282 O VAL A 83 -0.462 -23.120 1.295 1.00 0.00 O ATOM 1283 CB VAL A 83 -2.562 -21.517 3.225 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -3.826 -22.390 3.293 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -2.715 -20.407 4.276 1.00 0.00 C ATOM 0 H VAL A 83 0.154 -21.314 2.310 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.348 -22.778 4.410 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.469 -21.087 2.228 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.708 -21.766 3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.787 -23.149 2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.881 -22.875 4.267 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.644 -19.864 4.099 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.737 -20.849 5.272 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.873 -19.719 4.203 1.00 0.00 H new ATOM 1295 N LYS A 84 -1.552 -24.615 2.569 1.00 0.00 N ATOM 1296 CA LYS A 84 -1.416 -25.719 1.624 1.00 0.00 C ATOM 1297 C LYS A 84 -2.565 -26.705 1.776 1.00 0.00 C ATOM 1298 O LYS A 84 -3.163 -26.800 2.852 1.00 0.00 O ATOM 1299 CB LYS A 84 -0.034 -26.386 1.765 1.00 0.00 C ATOM 1300 CG LYS A 84 0.355 -26.888 3.168 1.00 0.00 C ATOM 1301 CD LYS A 84 1.867 -27.156 3.254 1.00 0.00 C ATOM 1302 CE LYS A 84 2.345 -28.251 2.285 1.00 0.00 C ATOM 1303 NZ LYS A 84 3.808 -28.189 2.057 1.00 0.00 N ATOM 0 H LYS A 84 -2.051 -24.865 3.423 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.475 -25.326 0.609 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.007 -27.232 1.078 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.722 -25.673 1.438 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.069 -26.148 3.916 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.194 -27.801 3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.406 -26.232 3.042 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.120 -27.446 4.274 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.081 -29.230 2.685 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.825 -28.145 1.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.123 -29.060 1.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.031 -27.369 1.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.298 -28.094 2.969 1.00 0.00 H new ATOM 1317 N GLY A 85 -2.844 -27.437 0.694 1.00 0.00 N ATOM 1318 CA GLY A 85 -4.025 -28.276 0.535 1.00 0.00 C ATOM 1319 C GLY A 85 -5.281 -27.519 0.955 1.00 0.00 C ATOM 1320 O GLY A 85 -6.085 -28.082 1.725 1.00 0.00 O ATOM 1321 OXT GLY A 85 -5.466 -26.369 0.505 1.00 0.00 O ATOM 0 H GLY A 85 -2.230 -27.459 -0.120 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.115 -28.593 -0.504 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.920 -29.179 1.136 1.00 0.00 H new TER 1325 GLY A 85