USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 973 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 96 GLN :FLIP amide:sc= -0.143 F(o=-0.82,f=0.81) USER MOD Set 1.2: A 102 SER OG : rot 71:sc= 0.954 USER MOD Set 2.1: A 95 THR OG1 : rot 80:sc= -0.907 USER MOD Set 2.2: A 128 ASN :FLIP amide:sc= -0.299 F(o=-2,f=-1.2) USER MOD Set 3.1: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 94 TYR OH : rot 128:sc= 0.926 USER MOD Set 4.1: A 34 GLN : amide:sc= 0.242 K(o=0.24,f=-0.55) USER MOD Set 4.2: A 38 ASN :FLIP amide:sc= 0 F(o=-0.71,f=0.24) USER MOD Set 5.1: A 11 HIS : no HE2:sc= 1.48 K(o=2.8,f=-10!) USER MOD Set 5.2: A 123 TYR OH : rot 180:sc= 1.3 USER MOD Set 6.1: A 1 GLN : amide:sc= 0.441 K(o=0.99,f=-8.5!) USER MOD Set 6.2: A 63 THR OG1 : rot 162:sc= 0.548 USER MOD Single : A 1 GLN N :NH3+ -177:sc= 0 (180deg=-0.00657) USER MOD Single : A 2 ASN : amide:sc= 0.446 K(o=0.45,f=-11!) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0361 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 7 TYR OH : rot 119:sc= 1.01 USER MOD Single : A 12 ASN : amide:sc= 0.134 K(o=0.13,f=-3.4!) USER MOD Single : A 17 GLN : amide:sc= 0.719 K(o=0.72,f=-0.74) USER MOD Single : A 23 MET CE :methyl -153:sc= -1.64! (180deg=-2.44!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 1.11 K(o=1.1,f=-0.021) USER MOD Single : A 31 SER OG : rot -65:sc= 1.15 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.0152 USER MOD Single : A 39 SER OG : rot -39:sc= 1.22 USER MOD Single : A 45 ASN : amide:sc= 0.923 K(o=0.92,f=-4.2!) USER MOD Single : A 48 HIS : no HE2:sc= 0.467 K(o=0.47,f=-3.5!) USER MOD Single : A 49 SER OG : rot -12:sc= -0.0662! USER MOD Single : A 54 ASN : amide:sc= -0.847 K(o=-0.85,f=-2.1) USER MOD Single : A 57 LYS NZ :NH3+ -136:sc= 0.0331 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.67) USER MOD Single : A 73 SER OG : rot 37:sc= 0.573 USER MOD Single : A 77 SER OG : rot 106:sc= 1.39 USER MOD Single : A 79 ASN : amide:sc= -0.0065 K(o=-0.0065,f=-8.2!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.028) USER MOD Single : A 84 GLN : amide:sc= 0.488 X(o=0.49,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0981) USER MOD Single : A 90 LYS NZ :NH3+ 174:sc= -0.0061 (180deg=-0.0587) USER MOD Single : A 93 HIS : no HE2:sc= 0.826 K(o=0.83,f=-4.2!) USER MOD Single : A 101 ASN : amide:sc= 0.644 K(o=0.64,f=-2.9!) USER MOD Single : A 113 ASN : amide:sc=-0.00647 K(o=-0.0065,f=-0.97) USER MOD Single : A 114 ASN : amide:sc= 0.365 K(o=0.36,f=-8.5!) USER MOD Single : A 120 SER OG : rot 172:sc= 0.869 USER MOD Single : A 122 ASN : amide:sc= -0.0708 K(o=-0.071,f=-7.2!) USER MOD Single : A 132 GLN : amide:sc= 0.216 K(o=0.22,f=-6.9!) USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -7.160 10.448 6.370 1.00 2.12 N ATOM 2 CA GLN A 1 -6.444 9.692 5.342 1.00 1.38 C ATOM 3 C GLN A 1 -5.026 9.388 5.838 1.00 1.66 C ATOM 4 O GLN A 1 -4.043 9.931 5.322 1.00 2.41 O ATOM 5 CB GLN A 1 -6.420 10.408 3.992 1.00 1.06 C ATOM 6 CG GLN A 1 -7.790 10.742 3.395 1.00 2.12 C ATOM 7 CD GLN A 1 -7.643 11.115 1.917 1.00 2.92 C ATOM 8 OE1 GLN A 1 -7.198 10.304 1.115 1.00 4.07 O ATOM 9 NE2 GLN A 1 -8.020 12.317 1.519 1.00 3.44 N ATOM 0 H1 GLN A 1 -8.139 10.613 6.061 1.00 2.12 H new ATOM 0 H2 GLN A 1 -7.164 9.908 7.259 1.00 2.12 H new ATOM 0 H3 GLN A 1 -6.686 11.361 6.523 1.00 2.12 H new ATOM 0 HA GLN A 1 -6.980 8.758 5.172 1.00 1.38 H new ATOM 0 HB2 GLN A 1 -5.856 11.334 4.102 1.00 1.06 H new ATOM 0 HB3 GLN A 1 -5.876 9.786 3.281 1.00 1.06 H new ATOM 0 HG2 GLN A 1 -8.458 9.887 3.498 1.00 2.12 H new ATOM 0 HG3 GLN A 1 -8.243 11.568 3.943 1.00 2.12 H new ATOM 0 HE21 GLN A 1 -8.389 12.985 2.195 1.00 3.44 H new ATOM 0 HE22 GLN A 1 -7.942 12.577 0.536 1.00 3.44 H new ATOM 20 N ASN A 2 -4.896 8.585 6.895 1.00 1.74 N ATOM 21 CA ASN A 2 -3.611 7.979 7.218 1.00 1.92 C ATOM 22 C ASN A 2 -3.828 6.718 8.049 1.00 1.90 C ATOM 23 O ASN A 2 -4.970 6.394 8.381 1.00 3.57 O ATOM 24 CB ASN A 2 -2.679 8.977 7.910 1.00 2.56 C ATOM 25 CG ASN A 2 -1.224 8.735 7.523 1.00 1.95 C ATOM 26 OD1 ASN A 2 -0.823 7.620 7.202 1.00 2.89 O ATOM 27 ND2 ASN A 2 -0.425 9.790 7.475 1.00 2.01 N ATOM 0 H ASN A 2 -5.655 8.344 7.532 1.00 1.74 H new ATOM 0 HA ASN A 2 -3.114 7.690 6.292 1.00 1.92 H new ATOM 0 HB2 ASN A 2 -2.965 9.993 7.640 1.00 2.56 H new ATOM 0 HB3 ASN A 2 -2.789 8.892 8.991 1.00 2.56 H new ATOM 0 HD21 ASN A 2 0.542 9.684 7.167 1.00 2.01 H new ATOM 0 HD22 ASN A 2 -0.776 10.709 7.746 1.00 2.01 H new ATOM 34 N SER A 3 -2.744 6.085 8.500 1.00 1.18 N ATOM 35 CA SER A 3 -2.766 4.915 9.365 1.00 0.98 C ATOM 36 C SER A 3 -3.146 3.676 8.527 1.00 0.76 C ATOM 37 O SER A 3 -3.455 3.810 7.345 1.00 1.02 O ATOM 38 CB SER A 3 -3.609 5.206 10.622 1.00 1.45 C ATOM 39 OG SER A 3 -3.511 6.559 11.052 1.00 2.36 O ATOM 0 H SER A 3 -1.799 6.386 8.263 1.00 1.18 H new ATOM 0 HA SER A 3 -1.783 4.675 9.771 1.00 0.98 H new ATOM 0 HB2 SER A 3 -4.653 4.970 10.416 1.00 1.45 H new ATOM 0 HB3 SER A 3 -3.287 4.549 11.430 1.00 1.45 H new ATOM 0 HG SER A 3 -4.065 6.690 11.850 1.00 2.36 H new ATOM 45 N PRO A 4 -3.058 2.454 9.071 1.00 0.64 N ATOM 46 CA PRO A 4 -3.093 1.240 8.262 1.00 0.64 C ATOM 47 C PRO A 4 -4.434 1.117 7.540 1.00 0.57 C ATOM 48 O PRO A 4 -4.516 0.744 6.370 1.00 0.57 O ATOM 49 CB PRO A 4 -2.859 0.102 9.258 1.00 0.88 C ATOM 50 CG PRO A 4 -3.334 0.655 10.597 1.00 1.06 C ATOM 51 CD PRO A 4 -2.999 2.138 10.486 1.00 0.91 C ATOM 0 HA PRO A 4 -2.340 1.232 7.474 1.00 0.64 H new ATOM 0 HB2 PRO A 4 -3.418 -0.791 8.978 1.00 0.88 H new ATOM 0 HB3 PRO A 4 -1.807 -0.180 9.297 1.00 0.88 H new ATOM 0 HG2 PRO A 4 -4.401 0.491 10.747 1.00 1.06 H new ATOM 0 HG3 PRO A 4 -2.819 0.185 11.435 1.00 1.06 H new ATOM 0 HD2 PRO A 4 -3.709 2.742 11.051 1.00 0.91 H new ATOM 0 HD3 PRO A 4 -2.009 2.346 10.892 1.00 0.91 H new ATOM 59 N GLN A 5 -5.480 1.488 8.271 1.00 0.61 N ATOM 60 CA GLN A 5 -6.856 1.515 7.841 1.00 0.72 C ATOM 61 C GLN A 5 -7.079 2.299 6.542 1.00 0.74 C ATOM 62 O GLN A 5 -8.060 2.003 5.869 1.00 0.86 O ATOM 63 CB GLN A 5 -7.686 2.086 8.991 1.00 0.85 C ATOM 64 CG GLN A 5 -7.404 3.576 9.235 1.00 2.40 C ATOM 65 CD GLN A 5 -7.829 3.982 10.635 1.00 3.13 C ATOM 66 OE1 GLN A 5 -7.051 4.579 11.377 1.00 4.31 O ATOM 67 NE2 GLN A 5 -9.030 3.607 11.043 1.00 3.25 N ATOM 0 H GLN A 5 -5.373 1.795 9.238 1.00 0.61 H new ATOM 0 HA GLN A 5 -7.168 0.498 7.602 1.00 0.72 H new ATOM 0 HB2 GLN A 5 -8.745 1.951 8.773 1.00 0.85 H new ATOM 0 HB3 GLN A 5 -7.474 1.525 9.901 1.00 0.85 H new ATOM 0 HG2 GLN A 5 -6.341 3.777 9.100 1.00 2.40 H new ATOM 0 HG3 GLN A 5 -7.938 4.177 8.499 1.00 2.40 H new ATOM 0 HE21 GLN A 5 -9.654 3.113 10.405 1.00 3.25 H new ATOM 0 HE22 GLN A 5 -9.332 3.812 11.995 1.00 3.25 H new ATOM 76 N ASP A 6 -6.227 3.273 6.180 1.00 0.73 N ATOM 77 CA ASP A 6 -6.289 3.882 4.846 1.00 0.92 C ATOM 78 C ASP A 6 -6.163 2.797 3.799 1.00 0.66 C ATOM 79 O ASP A 6 -7.029 2.599 2.949 1.00 0.67 O ATOM 80 CB ASP A 6 -5.140 4.878 4.578 1.00 1.36 C ATOM 81 CG ASP A 6 -5.490 6.325 4.817 1.00 2.01 C ATOM 82 OD1 ASP A 6 -6.353 6.595 5.681 1.00 1.68 O ATOM 83 OD2 ASP A 6 -4.908 7.166 4.098 1.00 3.56 O ATOM 0 H ASP A 6 -5.497 3.650 6.785 1.00 0.73 H new ATOM 0 HA ASP A 6 -7.239 4.414 4.799 1.00 0.92 H new ATOM 0 HB2 ASP A 6 -4.294 4.614 5.212 1.00 1.36 H new ATOM 0 HB3 ASP A 6 -4.812 4.764 3.545 1.00 1.36 H new ATOM 88 N TYR A 7 -5.017 2.127 3.830 1.00 0.56 N ATOM 89 CA TYR A 7 -4.696 1.172 2.802 1.00 0.53 C ATOM 90 C TYR A 7 -5.730 0.059 2.872 1.00 0.44 C ATOM 91 O TYR A 7 -6.375 -0.266 1.876 1.00 0.43 O ATOM 92 CB TYR A 7 -3.269 0.652 2.979 1.00 0.54 C ATOM 93 CG TYR A 7 -2.211 1.734 3.036 1.00 0.55 C ATOM 94 CD1 TYR A 7 -1.823 2.272 4.275 1.00 2.16 C ATOM 95 CD2 TYR A 7 -1.512 2.103 1.875 1.00 1.46 C ATOM 96 CE1 TYR A 7 -0.707 3.119 4.362 1.00 2.70 C ATOM 97 CE2 TYR A 7 -0.333 2.853 1.983 1.00 1.39 C ATOM 98 CZ TYR A 7 0.066 3.379 3.222 1.00 1.64 C ATOM 99 OH TYR A 7 1.210 4.118 3.346 1.00 2.29 O ATOM 0 H TYR A 7 -4.306 2.233 4.554 1.00 0.56 H new ATOM 0 HA TYR A 7 -4.730 1.632 1.815 1.00 0.53 H new ATOM 0 HB2 TYR A 7 -3.220 0.065 3.896 1.00 0.54 H new ATOM 0 HB3 TYR A 7 -3.037 -0.023 2.155 1.00 0.54 H new ATOM 0 HD1 TYR A 7 -2.386 2.033 5.165 1.00 2.16 H new ATOM 0 HD2 TYR A 7 -1.881 1.810 0.903 1.00 1.46 H new ATOM 0 HE1 TYR A 7 -0.444 3.570 5.307 1.00 2.70 H new ATOM 0 HE2 TYR A 7 0.273 3.028 1.106 1.00 1.39 H new ATOM 0 HH TYR A 7 1.979 3.580 3.063 1.00 2.29 H new ATOM 109 N LEU A 8 -5.903 -0.499 4.066 1.00 0.37 N ATOM 110 CA LEU A 8 -6.837 -1.583 4.288 1.00 0.33 C ATOM 111 C LEU A 8 -8.252 -1.214 3.851 1.00 0.37 C ATOM 112 O LEU A 8 -8.925 -2.049 3.257 1.00 0.40 O ATOM 113 CB LEU A 8 -6.764 -2.048 5.745 1.00 0.32 C ATOM 114 CG LEU A 8 -5.659 -3.100 5.937 1.00 0.36 C ATOM 115 CD1 LEU A 8 -5.489 -3.360 7.431 1.00 0.42 C ATOM 116 CD2 LEU A 8 -5.980 -4.441 5.258 1.00 0.48 C ATOM 0 H LEU A 8 -5.397 -0.208 4.903 1.00 0.37 H new ATOM 0 HA LEU A 8 -6.549 -2.426 3.660 1.00 0.33 H new ATOM 0 HB2 LEU A 8 -6.573 -1.193 6.393 1.00 0.32 H new ATOM 0 HB3 LEU A 8 -7.725 -2.467 6.045 1.00 0.32 H new ATOM 0 HG LEU A 8 -4.753 -2.702 5.479 1.00 0.36 H new ATOM 0 HD11 LEU A 8 -4.708 -4.105 7.584 1.00 0.42 H new ATOM 0 HD12 LEU A 8 -5.210 -2.433 7.932 1.00 0.42 H new ATOM 0 HD13 LEU A 8 -6.428 -3.728 7.845 1.00 0.42 H new ATOM 0 HD21 LEU A 8 -5.162 -5.141 5.430 1.00 0.48 H new ATOM 0 HD22 LEU A 8 -6.901 -4.849 5.675 1.00 0.48 H new ATOM 0 HD23 LEU A 8 -6.105 -4.285 4.186 1.00 0.48 H new ATOM 128 N ALA A 9 -8.699 0.023 4.079 1.00 0.48 N ATOM 129 CA ALA A 9 -10.013 0.457 3.629 1.00 0.58 C ATOM 130 C ALA A 9 -10.173 0.186 2.143 1.00 0.42 C ATOM 131 O ALA A 9 -11.091 -0.524 1.738 1.00 0.37 O ATOM 132 CB ALA A 9 -10.235 1.955 3.854 1.00 0.90 C ATOM 0 H ALA A 9 -8.166 0.738 4.573 1.00 0.48 H new ATOM 0 HA ALA A 9 -10.743 -0.104 4.213 1.00 0.58 H new ATOM 0 HB1 ALA A 9 -11.229 2.232 3.503 1.00 0.90 H new ATOM 0 HB2 ALA A 9 -10.150 2.180 4.917 1.00 0.90 H new ATOM 0 HB3 ALA A 9 -9.484 2.521 3.302 1.00 0.90 H new ATOM 138 N VAL A 10 -9.301 0.794 1.343 1.00 0.44 N ATOM 139 CA VAL A 10 -9.432 0.777 -0.101 1.00 0.42 C ATOM 140 C VAL A 10 -9.179 -0.638 -0.624 1.00 0.38 C ATOM 141 O VAL A 10 -9.819 -1.058 -1.583 1.00 0.43 O ATOM 142 CB VAL A 10 -8.499 1.827 -0.725 1.00 0.46 C ATOM 143 CG1 VAL A 10 -8.707 1.928 -2.242 1.00 0.50 C ATOM 144 CG2 VAL A 10 -8.749 3.222 -0.138 1.00 0.50 C ATOM 0 H VAL A 10 -8.488 1.309 1.681 1.00 0.44 H new ATOM 0 HA VAL A 10 -10.447 1.048 -0.393 1.00 0.42 H new ATOM 0 HB VAL A 10 -7.484 1.500 -0.501 1.00 0.46 H new ATOM 0 HG11 VAL A 10 -8.032 2.679 -2.653 1.00 0.50 H new ATOM 0 HG12 VAL A 10 -8.499 0.962 -2.703 1.00 0.50 H new ATOM 0 HG13 VAL A 10 -9.738 2.214 -2.450 1.00 0.50 H new ATOM 0 HG21 VAL A 10 -8.072 3.939 -0.602 1.00 0.50 H new ATOM 0 HG22 VAL A 10 -9.780 3.519 -0.332 1.00 0.50 H new ATOM 0 HG23 VAL A 10 -8.573 3.201 0.938 1.00 0.50 H new ATOM 154 N HIS A 11 -8.264 -1.389 -0.005 1.00 0.30 N ATOM 155 CA HIS A 11 -8.061 -2.785 -0.367 1.00 0.27 C ATOM 156 C HIS A 11 -9.345 -3.577 -0.160 1.00 0.26 C ATOM 157 O HIS A 11 -9.853 -4.212 -1.081 1.00 0.29 O ATOM 158 CB HIS A 11 -6.928 -3.412 0.445 1.00 0.27 C ATOM 159 CG HIS A 11 -5.556 -3.027 -0.034 1.00 0.32 C ATOM 160 ND1 HIS A 11 -4.981 -1.786 0.073 1.00 0.40 N ATOM 161 CD2 HIS A 11 -4.689 -3.823 -0.728 1.00 0.38 C ATOM 162 CE1 HIS A 11 -3.788 -1.832 -0.533 1.00 0.49 C ATOM 163 NE2 HIS A 11 -3.569 -3.049 -1.053 1.00 0.48 N ATOM 0 H HIS A 11 -7.658 -1.052 0.743 1.00 0.30 H new ATOM 0 HA HIS A 11 -7.783 -2.817 -1.421 1.00 0.27 H new ATOM 0 HB2 HIS A 11 -7.035 -3.117 1.489 1.00 0.27 H new ATOM 0 HB3 HIS A 11 -7.024 -4.497 0.409 1.00 0.27 H new ATOM 0 HD1 HIS A 11 -5.390 -0.972 0.533 1.00 0.40 H new ATOM 0 HD2 HIS A 11 -4.841 -4.862 -0.980 1.00 0.38 H new ATOM 0 HE1 HIS A 11 -3.098 -1.004 -0.595 1.00 0.49 H new ATOM 171 N ASN A 12 -9.856 -3.552 1.068 1.00 0.29 N ATOM 172 CA ASN A 12 -11.060 -4.275 1.443 1.00 0.33 C ATOM 173 C ASN A 12 -12.182 -3.872 0.492 1.00 0.35 C ATOM 174 O ASN A 12 -12.859 -4.740 -0.053 1.00 0.44 O ATOM 175 CB ASN A 12 -11.416 -4.040 2.921 1.00 0.45 C ATOM 176 CG ASN A 12 -10.442 -4.726 3.883 1.00 0.64 C ATOM 177 OD1 ASN A 12 -9.799 -5.719 3.543 1.00 1.33 O ATOM 178 ND2 ASN A 12 -10.315 -4.213 5.100 1.00 0.81 N ATOM 0 H ASN A 12 -9.440 -3.024 1.835 1.00 0.29 H new ATOM 0 HA ASN A 12 -10.897 -5.349 1.350 1.00 0.33 H new ATOM 0 HB2 ASN A 12 -11.424 -2.969 3.122 1.00 0.45 H new ATOM 0 HB3 ASN A 12 -12.425 -4.407 3.110 1.00 0.45 H new ATOM 0 HD21 ASN A 12 -9.677 -4.642 5.770 1.00 0.81 H new ATOM 0 HD22 ASN A 12 -10.855 -3.390 5.365 1.00 0.81 H new ATOM 185 N ASP A 13 -12.340 -2.575 0.218 1.00 0.35 N ATOM 186 CA ASP A 13 -13.245 -2.117 -0.830 1.00 0.40 C ATOM 187 C ASP A 13 -13.031 -2.803 -2.165 1.00 0.40 C ATOM 188 O ASP A 13 -13.894 -3.538 -2.623 1.00 0.47 O ATOM 189 CB ASP A 13 -13.249 -0.594 -0.986 1.00 0.41 C ATOM 190 CG ASP A 13 -14.664 -0.114 -1.153 1.00 0.60 C ATOM 191 OD1 ASP A 13 -15.405 -0.179 -0.151 1.00 1.70 O ATOM 192 OD2 ASP A 13 -15.033 0.286 -2.277 1.00 1.94 O ATOM 0 H ASP A 13 -11.852 -1.826 0.709 1.00 0.35 H new ATOM 0 HA ASP A 13 -14.235 -2.415 -0.486 1.00 0.40 H new ATOM 0 HB2 ASP A 13 -12.795 -0.126 -0.112 1.00 0.41 H new ATOM 0 HB3 ASP A 13 -12.650 -0.304 -1.850 1.00 0.41 H new ATOM 197 N ALA A 14 -11.890 -2.562 -2.799 1.00 0.37 N ATOM 198 CA ALA A 14 -11.572 -3.086 -4.117 1.00 0.41 C ATOM 199 C ALA A 14 -11.813 -4.595 -4.195 1.00 0.45 C ATOM 200 O ALA A 14 -12.262 -5.090 -5.226 1.00 0.68 O ATOM 201 CB ALA A 14 -10.127 -2.730 -4.453 1.00 0.44 C ATOM 0 H ALA A 14 -11.148 -1.986 -2.402 1.00 0.37 H new ATOM 0 HA ALA A 14 -12.234 -2.631 -4.854 1.00 0.41 H new ATOM 0 HB1 ALA A 14 -9.877 -3.118 -5.440 1.00 0.44 H new ATOM 0 HB2 ALA A 14 -10.009 -1.646 -4.448 1.00 0.44 H new ATOM 0 HB3 ALA A 14 -9.462 -3.171 -3.711 1.00 0.44 H new ATOM 207 N ARG A 15 -11.519 -5.317 -3.115 1.00 0.33 N ATOM 208 CA ARG A 15 -11.811 -6.735 -2.977 1.00 0.37 C ATOM 209 C ARG A 15 -13.318 -6.971 -2.965 1.00 0.48 C ATOM 210 O ARG A 15 -13.821 -7.775 -3.747 1.00 0.62 O ATOM 211 CB ARG A 15 -11.091 -7.282 -1.730 1.00 0.35 C ATOM 212 CG ARG A 15 -9.596 -7.336 -2.053 1.00 0.35 C ATOM 213 CD ARG A 15 -8.655 -7.466 -0.857 1.00 0.70 C ATOM 214 NE ARG A 15 -8.636 -8.807 -0.248 1.00 1.27 N ATOM 215 CZ ARG A 15 -7.585 -9.644 -0.277 1.00 1.81 C ATOM 216 NH1 ARG A 15 -6.705 -9.567 -1.269 1.00 2.82 N ATOM 217 NH2 ARG A 15 -7.414 -10.553 0.679 1.00 2.83 N ATOM 0 H ARG A 15 -11.061 -4.919 -2.295 1.00 0.33 H new ATOM 0 HA ARG A 15 -11.431 -7.288 -3.836 1.00 0.37 H new ATOM 0 HB2 ARG A 15 -11.275 -6.640 -0.868 1.00 0.35 H new ATOM 0 HB3 ARG A 15 -11.465 -8.274 -1.475 1.00 0.35 H new ATOM 0 HG2 ARG A 15 -9.420 -8.179 -2.722 1.00 0.35 H new ATOM 0 HG3 ARG A 15 -9.331 -6.432 -2.602 1.00 0.35 H new ATOM 0 HD2 ARG A 15 -7.644 -7.209 -1.174 1.00 0.70 H new ATOM 0 HD3 ARG A 15 -8.946 -6.739 -0.099 1.00 0.70 H new ATOM 0 HE ARG A 15 -9.480 -9.123 0.230 1.00 1.27 H new ATOM 0 HH11 ARG A 15 -6.828 -8.874 -2.007 1.00 2.82 H new ATOM 0 HH12 ARG A 15 -5.907 -10.201 -1.293 1.00 2.82 H new ATOM 0 HH21 ARG A 15 -8.084 -10.620 1.445 1.00 2.83 H new ATOM 0 HH22 ARG A 15 -6.612 -11.183 0.646 1.00 2.83 H new ATOM 231 N ALA A 16 -14.048 -6.254 -2.114 1.00 0.46 N ATOM 232 CA ALA A 16 -15.498 -6.331 -2.062 1.00 0.56 C ATOM 233 C ALA A 16 -16.112 -6.118 -3.442 1.00 0.61 C ATOM 234 O ALA A 16 -17.022 -6.859 -3.806 1.00 0.72 O ATOM 235 CB ALA A 16 -16.063 -5.324 -1.063 1.00 0.58 C ATOM 0 H ALA A 16 -13.645 -5.602 -1.441 1.00 0.46 H new ATOM 0 HA ALA A 16 -15.763 -7.333 -1.725 1.00 0.56 H new ATOM 0 HB1 ALA A 16 -17.150 -5.402 -1.043 1.00 0.58 H new ATOM 0 HB2 ALA A 16 -15.666 -5.535 -0.070 1.00 0.58 H new ATOM 0 HB3 ALA A 16 -15.777 -4.316 -1.362 1.00 0.58 H new ATOM 241 N GLN A 17 -15.592 -5.162 -4.219 1.00 0.58 N ATOM 242 CA GLN A 17 -16.082 -4.880 -5.563 1.00 0.67 C ATOM 243 C GLN A 17 -16.194 -6.157 -6.406 1.00 0.66 C ATOM 244 O GLN A 17 -17.112 -6.266 -7.215 1.00 0.92 O ATOM 245 CB GLN A 17 -15.222 -3.825 -6.285 1.00 0.76 C ATOM 246 CG GLN A 17 -15.078 -2.464 -5.573 1.00 1.23 C ATOM 247 CD GLN A 17 -16.382 -1.690 -5.424 1.00 1.42 C ATOM 248 OE1 GLN A 17 -17.331 -1.928 -6.162 1.00 2.51 O ATOM 249 NE2 GLN A 17 -16.451 -0.726 -4.512 1.00 1.87 N ATOM 0 H GLN A 17 -14.819 -4.564 -3.929 1.00 0.58 H new ATOM 0 HA GLN A 17 -17.083 -4.464 -5.446 1.00 0.67 H new ATOM 0 HB2 GLN A 17 -14.226 -4.240 -6.437 1.00 0.76 H new ATOM 0 HB3 GLN A 17 -15.649 -3.652 -7.273 1.00 0.76 H new ATOM 0 HG2 GLN A 17 -14.652 -2.629 -4.583 1.00 1.23 H new ATOM 0 HG3 GLN A 17 -14.367 -1.851 -6.127 1.00 1.23 H new ATOM 0 HE21 GLN A 17 -15.653 -0.540 -3.905 1.00 1.87 H new ATOM 0 HE22 GLN A 17 -17.302 -0.172 -4.419 1.00 1.87 H new ATOM 258 N VAL A 18 -15.277 -7.110 -6.230 1.00 0.54 N ATOM 259 CA VAL A 18 -15.264 -8.375 -6.958 1.00 0.59 C ATOM 260 C VAL A 18 -15.470 -9.568 -6.015 1.00 0.61 C ATOM 261 O VAL A 18 -15.091 -10.695 -6.329 1.00 0.76 O ATOM 262 CB VAL A 18 -13.967 -8.471 -7.771 1.00 0.64 C ATOM 263 CG1 VAL A 18 -13.981 -7.445 -8.910 1.00 0.74 C ATOM 264 CG2 VAL A 18 -12.724 -8.226 -6.916 1.00 0.60 C ATOM 0 H VAL A 18 -14.509 -7.020 -5.564 1.00 0.54 H new ATOM 0 HA VAL A 18 -16.102 -8.407 -7.654 1.00 0.59 H new ATOM 0 HB VAL A 18 -13.920 -9.486 -8.165 1.00 0.64 H new ATOM 0 HG11 VAL A 18 -13.055 -7.522 -9.481 1.00 0.74 H new ATOM 0 HG12 VAL A 18 -14.829 -7.641 -9.566 1.00 0.74 H new ATOM 0 HG13 VAL A 18 -14.068 -6.441 -8.494 1.00 0.74 H new ATOM 0 HG21 VAL A 18 -11.833 -8.305 -7.539 1.00 0.60 H new ATOM 0 HG22 VAL A 18 -12.774 -7.229 -6.479 1.00 0.60 H new ATOM 0 HG23 VAL A 18 -12.678 -8.969 -6.120 1.00 0.60 H new ATOM 274 N GLY A 19 -16.084 -9.339 -4.855 1.00 0.65 N ATOM 275 CA GLY A 19 -16.485 -10.385 -3.928 1.00 0.75 C ATOM 276 C GLY A 19 -15.307 -11.137 -3.306 1.00 0.78 C ATOM 277 O GLY A 19 -15.491 -12.220 -2.749 1.00 1.21 O ATOM 0 H GLY A 19 -16.319 -8.401 -4.531 1.00 0.65 H new ATOM 0 HA2 GLY A 19 -17.084 -9.943 -3.132 1.00 0.75 H new ATOM 0 HA3 GLY A 19 -17.124 -11.097 -4.451 1.00 0.75 H new ATOM 281 N VAL A 20 -14.108 -10.562 -3.315 1.00 0.68 N ATOM 282 CA VAL A 20 -12.933 -11.204 -2.749 1.00 0.68 C ATOM 283 C VAL A 20 -12.955 -10.917 -1.244 1.00 0.79 C ATOM 284 O VAL A 20 -13.361 -9.832 -0.827 1.00 0.82 O ATOM 285 CB VAL A 20 -11.676 -10.641 -3.437 1.00 0.61 C ATOM 286 CG1 VAL A 20 -10.395 -11.071 -2.725 1.00 0.74 C ATOM 287 CG2 VAL A 20 -11.563 -11.073 -4.904 1.00 0.54 C ATOM 0 H VAL A 20 -13.927 -9.641 -3.714 1.00 0.68 H new ATOM 0 HA VAL A 20 -12.926 -12.282 -2.907 1.00 0.68 H new ATOM 0 HB VAL A 20 -11.788 -9.558 -3.386 1.00 0.61 H new ATOM 0 HG11 VAL A 20 -9.532 -10.652 -3.243 1.00 0.74 H new ATOM 0 HG12 VAL A 20 -10.411 -10.710 -1.697 1.00 0.74 H new ATOM 0 HG13 VAL A 20 -10.326 -12.159 -2.726 1.00 0.74 H new ATOM 0 HG21 VAL A 20 -10.659 -10.648 -5.340 1.00 0.54 H new ATOM 0 HG22 VAL A 20 -11.516 -12.161 -4.960 1.00 0.54 H new ATOM 0 HG23 VAL A 20 -12.433 -10.718 -5.456 1.00 0.54 H new ATOM 297 N GLY A 21 -12.562 -11.890 -0.416 1.00 0.92 N ATOM 298 CA GLY A 21 -12.517 -11.733 1.037 1.00 1.04 C ATOM 299 C GLY A 21 -11.611 -10.562 1.444 1.00 1.04 C ATOM 300 O GLY A 21 -10.774 -10.146 0.642 1.00 1.02 O ATOM 0 H GLY A 21 -12.265 -12.811 -0.738 1.00 0.92 H new ATOM 0 HA2 GLY A 21 -13.524 -11.566 1.418 1.00 1.04 H new ATOM 0 HA3 GLY A 21 -12.152 -12.653 1.493 1.00 1.04 H new ATOM 304 N PRO A 22 -11.737 -10.027 2.667 1.00 1.12 N ATOM 305 CA PRO A 22 -10.982 -8.863 3.114 1.00 1.14 C ATOM 306 C PRO A 22 -9.516 -9.251 3.353 1.00 1.14 C ATOM 307 O PRO A 22 -9.054 -10.291 2.874 1.00 1.28 O ATOM 308 CB PRO A 22 -11.706 -8.409 4.388 1.00 1.19 C ATOM 309 CG PRO A 22 -12.206 -9.727 4.975 1.00 1.19 C ATOM 310 CD PRO A 22 -12.579 -10.540 3.735 1.00 1.13 C ATOM 0 HA PRO A 22 -10.944 -8.053 2.385 1.00 1.14 H new ATOM 0 HB2 PRO A 22 -11.035 -7.889 5.072 1.00 1.19 H new ATOM 0 HB3 PRO A 22 -12.527 -7.727 4.167 1.00 1.19 H new ATOM 0 HG2 PRO A 22 -11.436 -10.223 5.566 1.00 1.19 H new ATOM 0 HG3 PRO A 22 -13.063 -9.577 5.631 1.00 1.19 H new ATOM 0 HD2 PRO A 22 -12.404 -11.604 3.896 1.00 1.13 H new ATOM 0 HD3 PRO A 22 -13.635 -10.424 3.492 1.00 1.13 H new ATOM 318 N MET A 23 -8.761 -8.442 4.090 1.00 1.02 N ATOM 319 CA MET A 23 -7.375 -8.707 4.456 1.00 0.99 C ATOM 320 C MET A 23 -7.073 -8.025 5.793 1.00 0.86 C ATOM 321 O MET A 23 -7.933 -7.315 6.319 1.00 0.87 O ATOM 322 CB MET A 23 -6.426 -8.270 3.331 1.00 1.03 C ATOM 323 CG MET A 23 -6.902 -7.119 2.437 1.00 1.14 C ATOM 324 SD MET A 23 -5.909 -6.934 0.937 1.00 1.44 S ATOM 325 CE MET A 23 -4.278 -6.752 1.654 1.00 1.23 C ATOM 0 H MET A 23 -9.108 -7.557 4.460 1.00 1.02 H new ATOM 0 HA MET A 23 -7.216 -9.778 4.586 1.00 0.99 H new ATOM 0 HB2 MET A 23 -5.476 -7.981 3.780 1.00 1.03 H new ATOM 0 HB3 MET A 23 -6.229 -9.134 2.697 1.00 1.03 H new ATOM 0 HG2 MET A 23 -7.942 -7.288 2.159 1.00 1.14 H new ATOM 0 HG3 MET A 23 -6.871 -6.189 3.004 1.00 1.14 H new ATOM 0 HE1 MET A 23 -3.646 -6.174 0.979 1.00 1.23 H new ATOM 0 HE2 MET A 23 -4.357 -6.234 2.610 1.00 1.23 H new ATOM 0 HE3 MET A 23 -3.837 -7.737 1.810 1.00 1.23 H new ATOM 335 N SER A 24 -5.882 -8.252 6.344 1.00 0.84 N ATOM 336 CA SER A 24 -5.435 -7.723 7.623 1.00 0.72 C ATOM 337 C SER A 24 -4.065 -7.063 7.501 1.00 0.54 C ATOM 338 O SER A 24 -3.433 -7.082 6.441 1.00 0.57 O ATOM 339 CB SER A 24 -5.525 -8.810 8.708 1.00 0.98 C ATOM 340 OG SER A 24 -4.276 -9.382 9.054 1.00 1.08 O ATOM 0 H SER A 24 -5.177 -8.833 5.890 1.00 0.84 H new ATOM 0 HA SER A 24 -6.103 -6.923 7.942 1.00 0.72 H new ATOM 0 HB2 SER A 24 -5.977 -8.380 9.602 1.00 0.98 H new ATOM 0 HB3 SER A 24 -6.192 -9.600 8.362 1.00 0.98 H new ATOM 0 HG SER A 24 -4.408 -10.061 9.748 1.00 1.08 H new ATOM 346 N TRP A 25 -3.639 -6.424 8.587 1.00 0.49 N ATOM 347 CA TRP A 25 -2.390 -5.685 8.604 1.00 0.46 C ATOM 348 C TRP A 25 -1.248 -6.641 8.940 1.00 0.51 C ATOM 349 O TRP A 25 -1.489 -7.745 9.429 1.00 1.13 O ATOM 350 CB TRP A 25 -2.453 -4.544 9.623 1.00 0.47 C ATOM 351 CG TRP A 25 -1.391 -3.503 9.442 1.00 0.44 C ATOM 352 CD1 TRP A 25 -0.436 -3.147 10.328 1.00 0.54 C ATOM 353 CD2 TRP A 25 -1.193 -2.648 8.285 1.00 0.38 C ATOM 354 NE1 TRP A 25 0.348 -2.145 9.791 1.00 0.55 N ATOM 355 CE2 TRP A 25 -0.095 -1.774 8.537 1.00 0.46 C ATOM 356 CE3 TRP A 25 -1.867 -2.500 7.059 1.00 0.39 C ATOM 357 CZ2 TRP A 25 0.276 -0.765 7.633 1.00 0.51 C ATOM 358 CZ3 TRP A 25 -1.506 -1.500 6.150 1.00 0.46 C ATOM 359 CH2 TRP A 25 -0.488 -0.586 6.466 1.00 0.50 C ATOM 0 H TRP A 25 -4.148 -6.406 9.471 1.00 0.49 H new ATOM 0 HA TRP A 25 -2.217 -5.246 7.621 1.00 0.46 H new ATOM 0 HB2 TRP A 25 -3.430 -4.066 9.557 1.00 0.47 H new ATOM 0 HB3 TRP A 25 -2.370 -4.962 10.626 1.00 0.47 H new ATOM 0 HD1 TRP A 25 -0.305 -3.580 11.308 1.00 0.54 H new ATOM 0 HE1 TRP A 25 1.153 -1.731 10.261 1.00 0.55 H new ATOM 0 HE3 TRP A 25 -2.678 -3.171 6.815 1.00 0.39 H new ATOM 0 HZ2 TRP A 25 1.133 -0.138 7.831 1.00 0.51 H new ATOM 0 HZ3 TRP A 25 -2.013 -1.430 5.199 1.00 0.46 H new ATOM 0 HH2 TRP A 25 -0.292 0.253 5.814 1.00 0.50 H new ATOM 370 N ASP A 26 -0.008 -6.200 8.750 1.00 0.53 N ATOM 371 CA ASP A 26 1.183 -6.840 9.276 1.00 0.57 C ATOM 372 C ASP A 26 2.178 -5.768 9.703 1.00 0.72 C ATOM 373 O ASP A 26 2.330 -4.739 9.047 1.00 1.51 O ATOM 374 CB ASP A 26 1.814 -7.747 8.227 1.00 0.63 C ATOM 375 CG ASP A 26 3.126 -8.332 8.708 1.00 1.82 C ATOM 376 OD1 ASP A 26 3.324 -8.475 9.934 1.00 3.00 O ATOM 377 OD2 ASP A 26 3.975 -8.605 7.843 1.00 2.66 O ATOM 0 H ASP A 26 0.197 -5.361 8.208 1.00 0.53 H new ATOM 0 HA ASP A 26 0.909 -7.452 10.135 1.00 0.57 H new ATOM 0 HB2 ASP A 26 1.124 -8.554 7.981 1.00 0.63 H new ATOM 0 HB3 ASP A 26 1.982 -7.181 7.311 1.00 0.63 H new ATOM 382 N ALA A 27 2.849 -6.017 10.820 1.00 0.55 N ATOM 383 CA ALA A 27 3.939 -5.206 11.326 1.00 0.75 C ATOM 384 C ALA A 27 5.181 -5.385 10.456 1.00 0.62 C ATOM 385 O ALA A 27 5.945 -4.442 10.249 1.00 0.67 O ATOM 386 CB ALA A 27 4.266 -5.665 12.750 1.00 1.18 C ATOM 0 H ALA A 27 2.639 -6.818 11.416 1.00 0.55 H new ATOM 0 HA ALA A 27 3.643 -4.157 11.314 1.00 0.75 H new ATOM 0 HB1 ALA A 27 5.085 -5.065 13.147 1.00 1.18 H new ATOM 0 HB2 ALA A 27 3.387 -5.543 13.383 1.00 1.18 H new ATOM 0 HB3 ALA A 27 4.559 -6.715 12.736 1.00 1.18 H new ATOM 392 N ASN A 28 5.444 -6.614 10.023 1.00 0.63 N ATOM 393 CA ASN A 28 6.719 -6.973 9.424 1.00 0.68 C ATOM 394 C ASN A 28 6.799 -6.365 8.034 1.00 0.57 C ATOM 395 O ASN A 28 7.729 -5.620 7.737 1.00 0.53 O ATOM 396 CB ASN A 28 6.906 -8.493 9.341 1.00 0.80 C ATOM 397 CG ASN A 28 6.788 -9.217 10.674 1.00 1.04 C ATOM 398 OD1 ASN A 28 7.796 -9.566 11.283 1.00 1.87 O ATOM 399 ND2 ASN A 28 5.579 -9.484 11.152 1.00 1.93 N ATOM 0 H ASN A 28 4.779 -7.386 10.079 1.00 0.63 H new ATOM 0 HA ASN A 28 7.516 -6.583 10.056 1.00 0.68 H new ATOM 0 HB2 ASN A 28 6.165 -8.901 8.654 1.00 0.80 H new ATOM 0 HB3 ASN A 28 7.886 -8.703 8.913 1.00 0.80 H new ATOM 0 HD21 ASN A 28 5.479 -9.985 12.035 1.00 1.93 H new ATOM 0 HD22 ASN A 28 4.750 -9.189 10.636 1.00 1.93 H new ATOM 406 N LEU A 29 5.822 -6.648 7.179 1.00 0.57 N ATOM 407 CA LEU A 29 5.743 -6.052 5.857 1.00 0.49 C ATOM 408 C LEU A 29 5.770 -4.533 5.957 1.00 0.43 C ATOM 409 O LEU A 29 6.431 -3.878 5.158 1.00 0.41 O ATOM 410 CB LEU A 29 4.459 -6.507 5.171 1.00 0.49 C ATOM 411 CG LEU A 29 4.523 -7.985 4.779 1.00 0.59 C ATOM 412 CD1 LEU A 29 3.090 -8.460 4.576 1.00 0.85 C ATOM 413 CD2 LEU A 29 5.348 -8.213 3.508 1.00 0.65 C ATOM 0 H LEU A 29 5.064 -7.298 7.386 1.00 0.57 H new ATOM 0 HA LEU A 29 6.602 -6.375 5.269 1.00 0.49 H new ATOM 0 HB2 LEU A 29 3.612 -6.343 5.837 1.00 0.49 H new ATOM 0 HB3 LEU A 29 4.287 -5.901 4.281 1.00 0.49 H new ATOM 0 HG LEU A 29 5.019 -8.549 5.568 1.00 0.59 H new ATOM 0 HD11 LEU A 29 3.092 -9.513 4.294 1.00 0.85 H new ATOM 0 HD12 LEU A 29 2.530 -8.333 5.503 1.00 0.85 H new ATOM 0 HD13 LEU A 29 2.621 -7.874 3.786 1.00 0.85 H new ATOM 0 HD21 LEU A 29 5.364 -9.277 3.271 1.00 0.65 H new ATOM 0 HD22 LEU A 29 4.900 -7.663 2.680 1.00 0.65 H new ATOM 0 HD23 LEU A 29 6.367 -7.862 3.668 1.00 0.65 H new ATOM 425 N ALA A 30 5.067 -3.968 6.939 1.00 0.44 N ATOM 426 CA ALA A 30 5.057 -2.530 7.147 1.00 0.43 C ATOM 427 C ALA A 30 6.486 -2.050 7.371 1.00 0.51 C ATOM 428 O ALA A 30 6.941 -1.144 6.676 1.00 0.54 O ATOM 429 CB ALA A 30 4.118 -2.161 8.297 1.00 0.54 C ATOM 0 H ALA A 30 4.496 -4.492 7.603 1.00 0.44 H new ATOM 0 HA ALA A 30 4.670 -2.023 6.263 1.00 0.43 H new ATOM 0 HB1 ALA A 30 4.123 -1.080 8.438 1.00 0.54 H new ATOM 0 HB2 ALA A 30 3.106 -2.491 8.061 1.00 0.54 H new ATOM 0 HB3 ALA A 30 4.454 -2.648 9.212 1.00 0.54 H new ATOM 435 N SER A 31 7.211 -2.703 8.282 1.00 0.60 N ATOM 436 CA SER A 31 8.591 -2.362 8.565 1.00 0.70 C ATOM 437 C SER A 31 9.408 -2.398 7.267 1.00 0.65 C ATOM 438 O SER A 31 10.013 -1.401 6.879 1.00 0.65 O ATOM 439 CB SER A 31 9.116 -3.265 9.696 1.00 0.83 C ATOM 440 OG SER A 31 9.707 -4.471 9.254 1.00 1.16 O ATOM 0 H SER A 31 6.852 -3.479 8.838 1.00 0.60 H new ATOM 0 HA SER A 31 8.686 -1.341 8.935 1.00 0.70 H new ATOM 0 HB2 SER A 31 9.849 -2.708 10.279 1.00 0.83 H new ATOM 0 HB3 SER A 31 8.291 -3.504 10.367 1.00 0.83 H new ATOM 0 HG SER A 31 9.028 -5.028 8.819 1.00 1.16 H new ATOM 446 N ARG A 32 9.363 -3.534 6.562 1.00 0.65 N ATOM 447 CA ARG A 32 10.021 -3.769 5.287 1.00 0.69 C ATOM 448 C ARG A 32 9.751 -2.621 4.316 1.00 0.56 C ATOM 449 O ARG A 32 10.679 -2.102 3.703 1.00 0.62 O ATOM 450 CB ARG A 32 9.480 -5.080 4.688 1.00 0.78 C ATOM 451 CG ARG A 32 10.544 -5.954 4.019 1.00 0.88 C ATOM 452 CD ARG A 32 11.155 -6.964 5.000 1.00 1.82 C ATOM 453 NE ARG A 32 12.291 -6.431 5.775 1.00 2.91 N ATOM 454 CZ ARG A 32 13.560 -6.842 5.616 1.00 3.42 C ATOM 455 NH1 ARG A 32 13.976 -7.367 4.465 1.00 3.69 N ATOM 456 NH2 ARG A 32 14.398 -6.751 6.638 1.00 4.62 N ATOM 0 H ARG A 32 8.841 -4.348 6.886 1.00 0.65 H new ATOM 0 HA ARG A 32 11.097 -3.837 5.449 1.00 0.69 H new ATOM 0 HB2 ARG A 32 8.999 -5.655 5.479 1.00 0.78 H new ATOM 0 HB3 ARG A 32 8.710 -4.840 3.955 1.00 0.78 H new ATOM 0 HG2 ARG A 32 10.100 -6.487 3.179 1.00 0.88 H new ATOM 0 HG3 ARG A 32 11.332 -5.320 3.613 1.00 0.88 H new ATOM 0 HD2 ARG A 32 10.381 -7.298 5.691 1.00 1.82 H new ATOM 0 HD3 ARG A 32 11.487 -7.841 4.444 1.00 1.82 H new ATOM 0 HE ARG A 32 12.102 -5.710 6.471 1.00 2.91 H new ATOM 0 HH11 ARG A 32 13.327 -7.463 3.684 1.00 3.69 H new ATOM 0 HH12 ARG A 32 14.944 -7.673 4.364 1.00 3.69 H new ATOM 0 HH21 ARG A 32 14.076 -6.373 7.529 1.00 4.62 H new ATOM 0 HH22 ARG A 32 15.365 -7.059 6.534 1.00 4.62 H new ATOM 470 N ALA A 33 8.479 -2.261 4.150 1.00 0.44 N ATOM 471 CA ALA A 33 8.009 -1.263 3.207 1.00 0.39 C ATOM 472 C ALA A 33 8.530 0.117 3.599 1.00 0.39 C ATOM 473 O ALA A 33 9.011 0.864 2.751 1.00 0.43 O ATOM 474 CB ALA A 33 6.476 -1.293 3.167 1.00 0.37 C ATOM 0 H ALA A 33 7.722 -2.677 4.693 1.00 0.44 H new ATOM 0 HA ALA A 33 8.388 -1.486 2.210 1.00 0.39 H new ATOM 0 HB1 ALA A 33 6.116 -0.545 2.460 1.00 0.37 H new ATOM 0 HB2 ALA A 33 6.139 -2.281 2.853 1.00 0.37 H new ATOM 0 HB3 ALA A 33 6.082 -1.074 4.159 1.00 0.37 H new ATOM 480 N GLN A 34 8.427 0.470 4.878 1.00 0.42 N ATOM 481 CA GLN A 34 8.850 1.759 5.406 1.00 0.45 C ATOM 482 C GLN A 34 10.363 1.910 5.214 1.00 0.45 C ATOM 483 O GLN A 34 10.843 2.951 4.762 1.00 0.46 O ATOM 484 CB GLN A 34 8.384 1.845 6.872 1.00 0.60 C ATOM 485 CG GLN A 34 8.087 3.238 7.387 1.00 0.99 C ATOM 486 CD GLN A 34 9.299 4.149 7.454 1.00 1.45 C ATOM 487 OE1 GLN A 34 10.402 3.704 7.759 1.00 3.32 O ATOM 488 NE2 GLN A 34 9.114 5.429 7.168 1.00 1.40 N ATOM 0 H GLN A 34 8.038 -0.148 5.590 1.00 0.42 H new ATOM 0 HA GLN A 34 8.398 2.597 4.875 1.00 0.45 H new ATOM 0 HB2 GLN A 34 7.486 1.237 6.985 1.00 0.60 H new ATOM 0 HB3 GLN A 34 9.152 1.400 7.505 1.00 0.60 H new ATOM 0 HG2 GLN A 34 7.336 3.698 6.745 1.00 0.99 H new ATOM 0 HG3 GLN A 34 7.650 3.160 8.383 1.00 0.99 H new ATOM 0 HE21 GLN A 34 8.184 5.767 6.918 1.00 1.40 H new ATOM 0 HE22 GLN A 34 9.901 6.077 7.197 1.00 1.40 H new ATOM 497 N ASN A 35 11.100 0.845 5.521 1.00 0.53 N ATOM 498 CA ASN A 35 12.528 0.711 5.267 1.00 0.68 C ATOM 499 C ASN A 35 12.827 0.880 3.781 1.00 0.69 C ATOM 500 O ASN A 35 13.707 1.651 3.405 1.00 0.78 O ATOM 501 CB ASN A 35 13.002 -0.679 5.719 1.00 0.86 C ATOM 502 CG ASN A 35 13.574 -0.660 7.126 1.00 1.13 C ATOM 503 OD1 ASN A 35 12.873 -0.930 8.096 1.00 1.63 O ATOM 504 ND2 ASN A 35 14.851 -0.337 7.265 1.00 2.59 N ATOM 0 H ASN A 35 10.701 0.021 5.971 1.00 0.53 H new ATOM 0 HA ASN A 35 13.053 1.486 5.825 1.00 0.68 H new ATOM 0 HB2 ASN A 35 12.166 -1.377 5.678 1.00 0.86 H new ATOM 0 HB3 ASN A 35 13.759 -1.046 5.026 1.00 0.86 H new ATOM 0 HD21 ASN A 35 15.272 -0.309 8.194 1.00 2.59 H new ATOM 0 HD22 ASN A 35 15.414 -0.116 6.443 1.00 2.59 H new ATOM 511 N TYR A 36 12.116 0.150 2.923 1.00 0.68 N ATOM 512 CA TYR A 36 12.362 0.173 1.489 1.00 0.76 C ATOM 513 C TYR A 36 12.180 1.598 0.976 1.00 0.74 C ATOM 514 O TYR A 36 13.050 2.154 0.303 1.00 0.85 O ATOM 515 CB TYR A 36 11.453 -0.829 0.757 1.00 0.81 C ATOM 516 CG TYR A 36 11.977 -1.230 -0.608 1.00 0.84 C ATOM 517 CD1 TYR A 36 12.018 -0.291 -1.655 1.00 1.77 C ATOM 518 CD2 TYR A 36 12.583 -2.489 -0.783 1.00 2.09 C ATOM 519 CE1 TYR A 36 12.791 -0.552 -2.798 1.00 1.92 C ATOM 520 CE2 TYR A 36 13.327 -2.758 -1.945 1.00 2.49 C ATOM 521 CZ TYR A 36 13.460 -1.775 -2.934 1.00 1.81 C ATOM 522 OH TYR A 36 14.267 -1.978 -4.013 1.00 2.49 O ATOM 0 H TYR A 36 11.357 -0.470 3.205 1.00 0.68 H new ATOM 0 HA TYR A 36 13.387 -0.138 1.287 1.00 0.76 H new ATOM 0 HB2 TYR A 36 11.340 -1.722 1.372 1.00 0.81 H new ATOM 0 HB3 TYR A 36 10.461 -0.393 0.643 1.00 0.81 H new ATOM 0 HD1 TYR A 36 11.456 0.628 -1.580 1.00 1.77 H new ATOM 0 HD2 TYR A 36 12.476 -3.249 -0.023 1.00 2.09 H new ATOM 0 HE1 TYR A 36 12.870 0.193 -3.575 1.00 1.92 H new ATOM 0 HE2 TYR A 36 13.796 -3.722 -2.075 1.00 2.49 H new ATOM 0 HH TYR A 36 14.660 -2.874 -3.963 1.00 2.49 H new ATOM 532 N ALA A 37 11.051 2.202 1.339 1.00 0.62 N ATOM 533 CA ALA A 37 10.747 3.577 1.013 1.00 0.63 C ATOM 534 C ALA A 37 11.885 4.483 1.472 1.00 0.63 C ATOM 535 O ALA A 37 12.386 5.283 0.689 1.00 0.78 O ATOM 536 CB ALA A 37 9.402 3.973 1.631 1.00 0.60 C ATOM 0 H ALA A 37 10.318 1.737 1.874 1.00 0.62 H new ATOM 0 HA ALA A 37 10.656 3.692 -0.067 1.00 0.63 H new ATOM 0 HB1 ALA A 37 9.178 5.010 1.382 1.00 0.60 H new ATOM 0 HB2 ALA A 37 8.617 3.328 1.237 1.00 0.60 H new ATOM 0 HB3 ALA A 37 9.453 3.863 2.714 1.00 0.60 H new ATOM 542 N ASN A 38 12.315 4.333 2.726 1.00 0.55 N ATOM 543 CA ASN A 38 13.436 5.087 3.277 1.00 0.67 C ATOM 544 C ASN A 38 14.660 4.977 2.386 1.00 0.85 C ATOM 545 O ASN A 38 15.260 5.988 2.023 1.00 0.93 O ATOM 546 CB ASN A 38 13.779 4.628 4.701 1.00 0.78 C ATOM 547 CG ASN A 38 13.218 5.622 5.695 1.00 0.99 C ATOM 548 OD1 ASN A 38 11.930 5.504 5.967 1.00 1.94 O flip ATOM 549 ND2 ASN A 38 13.902 6.523 6.172 1.00 1.44 N flip ATOM 0 H ASN A 38 11.892 3.682 3.388 1.00 0.55 H new ATOM 0 HA ASN A 38 13.128 6.132 3.320 1.00 0.67 H new ATOM 0 HB2 ASN A 38 13.364 3.637 4.886 1.00 0.78 H new ATOM 0 HB3 ASN A 38 14.860 4.548 4.819 1.00 0.78 H new ATOM 0 HD21 ASN A 38 14.894 6.587 5.942 1.00 1.44 H new ATOM 0 HD22 ASN A 38 13.479 7.208 6.798 1.00 1.44 H new ATOM 556 N SER A 39 15.041 3.751 2.030 1.00 1.03 N ATOM 557 CA SER A 39 16.254 3.536 1.266 1.00 1.29 C ATOM 558 C SER A 39 16.172 4.287 -0.067 1.00 1.34 C ATOM 559 O SER A 39 17.112 4.989 -0.443 1.00 1.57 O ATOM 560 CB SER A 39 16.558 2.034 1.151 1.00 1.55 C ATOM 561 OG SER A 39 15.691 1.350 0.258 1.00 2.94 O ATOM 0 H SER A 39 14.526 2.901 2.260 1.00 1.03 H new ATOM 0 HA SER A 39 17.115 3.957 1.785 1.00 1.29 H new ATOM 0 HB2 SER A 39 17.587 1.904 0.817 1.00 1.55 H new ATOM 0 HB3 SER A 39 16.483 1.579 2.139 1.00 1.55 H new ATOM 0 HG SER A 39 14.782 1.704 0.349 1.00 2.94 H new ATOM 567 N ARG A 40 15.037 4.171 -0.765 1.00 1.32 N ATOM 568 CA ARG A 40 14.867 4.807 -2.064 1.00 1.53 C ATOM 569 C ARG A 40 14.664 6.320 -1.980 1.00 1.43 C ATOM 570 O ARG A 40 14.985 7.024 -2.939 1.00 1.82 O ATOM 571 CB ARG A 40 13.718 4.184 -2.861 1.00 1.83 C ATOM 572 CG ARG A 40 13.894 2.708 -3.232 1.00 1.73 C ATOM 573 CD ARG A 40 15.274 2.265 -3.750 1.00 1.60 C ATOM 574 NE ARG A 40 15.947 3.239 -4.627 1.00 2.11 N ATOM 575 CZ ARG A 40 17.106 3.012 -5.272 1.00 3.21 C ATOM 576 NH1 ARG A 40 17.625 1.788 -5.364 1.00 3.81 N ATOM 577 NH2 ARG A 40 17.760 4.019 -5.842 1.00 4.18 N ATOM 0 H ARG A 40 14.226 3.641 -0.447 1.00 1.32 H new ATOM 0 HA ARG A 40 15.807 4.628 -2.587 1.00 1.53 H new ATOM 0 HB2 ARG A 40 12.800 4.288 -2.282 1.00 1.83 H new ATOM 0 HB3 ARG A 40 13.583 4.757 -3.778 1.00 1.83 H new ATOM 0 HG2 ARG A 40 13.657 2.110 -2.352 1.00 1.73 H new ATOM 0 HG3 ARG A 40 13.154 2.462 -3.994 1.00 1.73 H new ATOM 0 HD2 ARG A 40 15.919 2.061 -2.895 1.00 1.60 H new ATOM 0 HD3 ARG A 40 15.159 1.327 -4.293 1.00 1.60 H new ATOM 0 HE ARG A 40 15.504 4.149 -4.754 1.00 2.11 H new ATOM 0 HH11 ARG A 40 17.142 0.996 -4.940 1.00 3.81 H new ATOM 0 HH12 ARG A 40 18.505 1.643 -5.859 1.00 3.81 H new ATOM 0 HH21 ARG A 40 17.384 4.966 -5.791 1.00 4.18 H new ATOM 0 HH22 ARG A 40 18.638 3.845 -6.330 1.00 4.18 H new ATOM 591 N ALA A 41 14.106 6.820 -0.874 1.00 1.66 N ATOM 592 CA ALA A 41 13.730 8.218 -0.695 1.00 1.68 C ATOM 593 C ALA A 41 14.819 9.166 -1.183 1.00 1.67 C ATOM 594 O ALA A 41 14.510 10.177 -1.817 1.00 2.47 O ATOM 595 CB ALA A 41 13.396 8.493 0.773 1.00 1.80 C ATOM 0 H ALA A 41 13.899 6.244 -0.058 1.00 1.66 H new ATOM 0 HA ALA A 41 12.844 8.402 -1.302 1.00 1.68 H new ATOM 0 HB1 ALA A 41 13.117 9.540 0.893 1.00 1.80 H new ATOM 0 HB2 ALA A 41 12.565 7.858 1.082 1.00 1.80 H new ATOM 0 HB3 ALA A 41 14.267 8.277 1.391 1.00 1.80 H new ATOM 601 N GLY A 42 16.074 8.790 -0.936 1.00 1.50 N ATOM 602 CA GLY A 42 17.274 9.388 -1.495 1.00 1.57 C ATOM 603 C GLY A 42 17.071 10.050 -2.857 1.00 1.71 C ATOM 604 O GLY A 42 17.460 11.204 -3.028 1.00 2.21 O ATOM 0 H GLY A 42 16.286 8.017 -0.305 1.00 1.50 H new ATOM 0 HA2 GLY A 42 17.655 10.132 -0.796 1.00 1.57 H new ATOM 0 HA3 GLY A 42 18.040 8.618 -1.589 1.00 1.57 H new ATOM 608 N ASP A 43 16.490 9.344 -3.832 1.00 1.73 N ATOM 609 CA ASP A 43 16.035 9.973 -5.075 1.00 2.59 C ATOM 610 C ASP A 43 14.655 9.459 -5.482 1.00 2.35 C ATOM 611 O ASP A 43 14.340 9.357 -6.662 1.00 2.65 O ATOM 612 CB ASP A 43 17.077 9.830 -6.196 1.00 3.48 C ATOM 613 CG ASP A 43 16.872 10.884 -7.267 1.00 5.32 C ATOM 614 OD1 ASP A 43 17.480 11.963 -7.106 1.00 6.66 O ATOM 615 OD2 ASP A 43 16.134 10.650 -8.247 1.00 5.88 O ATOM 0 H ASP A 43 16.324 8.339 -3.784 1.00 1.73 H new ATOM 0 HA ASP A 43 15.929 11.042 -4.891 1.00 2.59 H new ATOM 0 HB2 ASP A 43 18.080 9.921 -5.779 1.00 3.48 H new ATOM 0 HB3 ASP A 43 17.005 8.837 -6.640 1.00 3.48 H new ATOM 620 N CYS A 44 13.813 9.124 -4.509 1.00 2.33 N ATOM 621 CA CYS A 44 12.424 8.714 -4.708 1.00 2.18 C ATOM 622 C CYS A 44 12.300 7.308 -5.307 1.00 1.56 C ATOM 623 O CYS A 44 11.797 6.407 -4.651 1.00 2.30 O ATOM 624 CB CYS A 44 11.660 9.781 -5.510 1.00 2.55 C ATOM 625 SG CYS A 44 9.911 10.002 -5.106 1.00 3.19 S ATOM 0 H CYS A 44 14.087 9.130 -3.526 1.00 2.33 H new ATOM 0 HA CYS A 44 11.953 8.642 -3.728 1.00 2.18 H new ATOM 0 HB2 CYS A 44 12.165 10.737 -5.372 1.00 2.55 H new ATOM 0 HB3 CYS A 44 11.736 9.531 -6.568 1.00 2.55 H new ATOM 630 N ASN A 45 12.791 7.123 -6.535 1.00 1.69 N ATOM 631 CA ASN A 45 13.056 5.868 -7.234 1.00 1.82 C ATOM 632 C ASN A 45 12.019 4.748 -7.033 1.00 1.77 C ATOM 633 O ASN A 45 12.136 3.933 -6.120 1.00 2.56 O ATOM 634 CB ASN A 45 14.432 5.320 -6.847 1.00 2.80 C ATOM 635 CG ASN A 45 15.610 6.274 -6.915 1.00 3.94 C ATOM 636 OD1 ASN A 45 16.367 6.377 -5.953 1.00 5.48 O ATOM 637 ND2 ASN A 45 15.848 6.897 -8.056 1.00 3.96 N ATOM 0 H ASN A 45 13.035 7.924 -7.117 1.00 1.69 H new ATOM 0 HA ASN A 45 13.002 6.145 -8.287 1.00 1.82 H new ATOM 0 HB2 ASN A 45 14.367 4.937 -5.828 1.00 2.80 H new ATOM 0 HB3 ASN A 45 14.650 4.470 -7.494 1.00 2.80 H new ATOM 0 HD21 ASN A 45 16.678 7.482 -8.154 1.00 3.96 H new ATOM 0 HD22 ASN A 45 15.202 6.793 -8.838 1.00 3.96 H new ATOM 644 N LEU A 46 11.083 4.596 -7.972 1.00 1.45 N ATOM 645 CA LEU A 46 10.180 3.450 -8.042 1.00 1.32 C ATOM 646 C LEU A 46 10.965 2.164 -8.347 1.00 1.60 C ATOM 647 O LEU A 46 11.014 1.746 -9.504 1.00 1.96 O ATOM 648 CB LEU A 46 9.120 3.688 -9.138 1.00 1.42 C ATOM 649 CG LEU A 46 8.090 4.778 -8.799 1.00 1.22 C ATOM 650 CD1 LEU A 46 7.521 5.381 -10.087 1.00 1.72 C ATOM 651 CD2 LEU A 46 6.943 4.248 -7.933 1.00 1.28 C ATOM 0 H LEU A 46 10.930 5.277 -8.716 1.00 1.45 H new ATOM 0 HA LEU A 46 9.685 3.335 -7.078 1.00 1.32 H new ATOM 0 HB2 LEU A 46 9.627 3.960 -10.064 1.00 1.42 H new ATOM 0 HB3 LEU A 46 8.593 2.753 -9.326 1.00 1.42 H new ATOM 0 HG LEU A 46 8.611 5.544 -8.225 1.00 1.22 H new ATOM 0 HD11 LEU A 46 6.792 6.152 -9.837 1.00 1.72 H new ATOM 0 HD12 LEU A 46 8.329 5.821 -10.671 1.00 1.72 H new ATOM 0 HD13 LEU A 46 7.036 4.599 -10.671 1.00 1.72 H new ATOM 0 HD21 LEU A 46 6.243 5.056 -7.722 1.00 1.28 H new ATOM 0 HD22 LEU A 46 6.425 3.449 -8.464 1.00 1.28 H new ATOM 0 HD23 LEU A 46 7.343 3.861 -6.996 1.00 1.28 H new ATOM 663 N ILE A 47 11.572 1.518 -7.354 1.00 1.72 N ATOM 664 CA ILE A 47 12.009 0.125 -7.423 1.00 2.05 C ATOM 665 C ILE A 47 11.289 -0.587 -6.281 1.00 2.35 C ATOM 666 O ILE A 47 11.031 0.035 -5.255 1.00 3.34 O ATOM 667 CB ILE A 47 13.544 -0.019 -7.280 1.00 2.20 C ATOM 668 CG1 ILE A 47 14.325 0.640 -8.430 1.00 2.25 C ATOM 669 CG2 ILE A 47 13.982 -1.494 -7.269 1.00 2.60 C ATOM 670 CD1 ILE A 47 14.576 2.122 -8.190 1.00 3.00 C ATOM 0 H ILE A 47 11.779 1.959 -6.458 1.00 1.72 H new ATOM 0 HA ILE A 47 11.768 -0.306 -8.395 1.00 2.05 H new ATOM 0 HB ILE A 47 13.770 0.477 -6.336 1.00 2.20 H new ATOM 0 HG12 ILE A 47 15.279 0.129 -8.556 1.00 2.25 H new ATOM 0 HG13 ILE A 47 13.771 0.515 -9.360 1.00 2.25 H new ATOM 0 HG21 ILE A 47 15.066 -1.551 -7.167 1.00 2.60 H new ATOM 0 HG22 ILE A 47 13.511 -2.007 -6.430 1.00 2.60 H new ATOM 0 HG23 ILE A 47 13.680 -1.970 -8.202 1.00 2.60 H new ATOM 0 HD11 ILE A 47 15.130 2.538 -9.031 1.00 3.00 H new ATOM 0 HD12 ILE A 47 13.623 2.641 -8.091 1.00 3.00 H new ATOM 0 HD13 ILE A 47 15.155 2.250 -7.275 1.00 3.00 H new ATOM 682 N HIS A 48 10.952 -1.864 -6.457 1.00 2.11 N ATOM 683 CA HIS A 48 10.659 -2.753 -5.336 1.00 2.55 C ATOM 684 C HIS A 48 11.228 -4.156 -5.521 1.00 2.66 C ATOM 685 O HIS A 48 11.342 -4.874 -4.534 1.00 4.26 O ATOM 686 CB HIS A 48 9.163 -2.860 -5.049 1.00 3.17 C ATOM 687 CG HIS A 48 8.323 -3.419 -6.175 1.00 3.52 C ATOM 688 ND1 HIS A 48 8.023 -4.755 -6.380 1.00 4.31 N ATOM 689 CD2 HIS A 48 7.566 -2.688 -7.048 1.00 4.39 C ATOM 690 CE1 HIS A 48 7.105 -4.830 -7.360 1.00 5.36 C ATOM 691 NE2 HIS A 48 6.805 -3.584 -7.771 1.00 5.58 N ATOM 0 H HIS A 48 10.875 -2.307 -7.372 1.00 2.11 H new ATOM 0 HA HIS A 48 11.153 -2.289 -4.483 1.00 2.55 H new ATOM 0 HB2 HIS A 48 9.024 -3.488 -4.169 1.00 3.17 H new ATOM 0 HB3 HIS A 48 8.787 -1.868 -4.796 1.00 3.17 H new ATOM 0 HD1 HIS A 48 8.427 -5.544 -5.876 1.00 4.31 H new ATOM 0 HD2 HIS A 48 7.564 -1.613 -7.152 1.00 4.39 H new ATOM 0 HE1 HIS A 48 6.678 -5.741 -7.753 1.00 5.36 H new ATOM 700 N SER A 49 11.477 -4.569 -6.769 1.00 2.06 N ATOM 701 CA SER A 49 11.750 -5.937 -7.192 1.00 2.70 C ATOM 702 C SER A 49 10.639 -6.887 -6.744 1.00 2.53 C ATOM 703 O SER A 49 9.750 -7.187 -7.538 1.00 3.44 O ATOM 704 CB SER A 49 13.162 -6.408 -6.812 1.00 4.36 C ATOM 705 OG SER A 49 13.444 -6.260 -5.437 1.00 5.16 O ATOM 0 H SER A 49 11.493 -3.915 -7.552 1.00 2.06 H new ATOM 0 HA SER A 49 11.743 -5.951 -8.282 1.00 2.70 H new ATOM 0 HB2 SER A 49 13.276 -7.456 -7.089 1.00 4.36 H new ATOM 0 HB3 SER A 49 13.894 -5.844 -7.390 1.00 4.36 H new ATOM 0 HG SER A 49 12.755 -5.702 -5.020 1.00 5.16 H new ATOM 711 N GLY A 50 10.684 -7.304 -5.480 1.00 2.76 N ATOM 712 CA GLY A 50 9.834 -8.302 -4.843 1.00 3.53 C ATOM 713 C GLY A 50 8.413 -8.303 -5.400 1.00 2.62 C ATOM 714 O GLY A 50 7.766 -7.253 -5.451 1.00 3.20 O ATOM 0 H GLY A 50 11.368 -6.922 -4.827 1.00 2.76 H new ATOM 0 HA2 GLY A 50 10.275 -9.290 -4.979 1.00 3.53 H new ATOM 0 HA3 GLY A 50 9.800 -8.113 -3.770 1.00 3.53 H new ATOM 718 N ALA A 51 7.931 -9.454 -5.863 1.00 2.07 N ATOM 719 CA ALA A 51 6.692 -9.578 -6.615 1.00 1.30 C ATOM 720 C ALA A 51 5.454 -9.545 -5.716 1.00 1.16 C ATOM 721 O ALA A 51 4.529 -10.331 -5.903 1.00 2.64 O ATOM 722 CB ALA A 51 6.737 -10.864 -7.440 1.00 1.77 C ATOM 0 H ALA A 51 8.405 -10.346 -5.720 1.00 2.07 H new ATOM 0 HA ALA A 51 6.607 -8.716 -7.277 1.00 1.30 H new ATOM 0 HB1 ALA A 51 5.812 -10.965 -8.007 1.00 1.77 H new ATOM 0 HB2 ALA A 51 7.582 -10.826 -8.128 1.00 1.77 H new ATOM 0 HB3 ALA A 51 6.850 -11.720 -6.774 1.00 1.77 H new ATOM 728 N GLY A 52 5.421 -8.628 -4.758 1.00 0.97 N ATOM 729 CA GLY A 52 4.271 -8.302 -3.944 1.00 0.67 C ATOM 730 C GLY A 52 4.034 -6.794 -3.978 1.00 0.82 C ATOM 731 O GLY A 52 2.885 -6.360 -4.091 1.00 2.16 O ATOM 0 H GLY A 52 6.239 -8.067 -4.521 1.00 0.97 H new ATOM 0 HA2 GLY A 52 3.390 -8.828 -4.313 1.00 0.67 H new ATOM 0 HA3 GLY A 52 4.433 -8.632 -2.918 1.00 0.67 H new ATOM 735 N GLU A 53 5.086 -5.972 -4.058 1.00 0.76 N ATOM 736 CA GLU A 53 4.927 -4.591 -3.622 1.00 0.70 C ATOM 737 C GLU A 53 4.303 -3.710 -4.690 1.00 0.77 C ATOM 738 O GLU A 53 4.452 -3.940 -5.894 1.00 1.09 O ATOM 739 CB GLU A 53 6.288 -3.969 -3.279 1.00 0.95 C ATOM 740 CG GLU A 53 6.730 -4.197 -1.840 1.00 1.35 C ATOM 741 CD GLU A 53 7.876 -3.293 -1.441 1.00 2.42 C ATOM 742 OE1 GLU A 53 9.031 -3.711 -1.659 1.00 2.87 O ATOM 743 OE2 GLU A 53 7.610 -2.221 -0.866 1.00 3.80 O ATOM 0 H GLU A 53 6.012 -6.226 -4.404 1.00 0.76 H new ATOM 0 HA GLU A 53 4.273 -4.633 -2.751 1.00 0.70 H new ATOM 0 HB2 GLU A 53 7.043 -4.380 -3.949 1.00 0.95 H new ATOM 0 HB3 GLU A 53 6.244 -2.897 -3.469 1.00 0.95 H new ATOM 0 HG2 GLU A 53 5.886 -4.026 -1.172 1.00 1.35 H new ATOM 0 HG3 GLU A 53 7.030 -5.237 -1.715 1.00 1.35 H new ATOM 750 N ASN A 54 3.534 -2.732 -4.222 1.00 0.61 N ATOM 751 CA ASN A 54 2.797 -1.738 -4.992 1.00 0.66 C ATOM 752 C ASN A 54 3.238 -0.384 -4.442 1.00 0.61 C ATOM 753 O ASN A 54 3.207 -0.194 -3.226 1.00 0.85 O ATOM 754 CB ASN A 54 1.293 -1.938 -4.768 1.00 1.00 C ATOM 755 CG ASN A 54 0.466 -1.322 -5.886 1.00 1.11 C ATOM 756 OD1 ASN A 54 0.925 -0.451 -6.620 1.00 2.35 O ATOM 757 ND2 ASN A 54 -0.758 -1.804 -6.059 1.00 1.51 N ATOM 0 H ASN A 54 3.400 -2.605 -3.219 1.00 0.61 H new ATOM 0 HA ASN A 54 2.989 -1.815 -6.062 1.00 0.66 H new ATOM 0 HB2 ASN A 54 1.075 -3.004 -4.700 1.00 1.00 H new ATOM 0 HB3 ASN A 54 1.005 -1.492 -3.816 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -1.343 -1.451 -6.817 1.00 1.51 H new ATOM 0 HD22 ASN A 54 -1.114 -2.527 -5.434 1.00 1.51 H new ATOM 764 N LEU A 55 3.735 0.509 -5.295 1.00 0.50 N ATOM 765 CA LEU A 55 4.359 1.760 -4.893 1.00 0.48 C ATOM 766 C LEU A 55 3.524 2.946 -5.360 1.00 0.50 C ATOM 767 O LEU A 55 2.719 2.831 -6.289 1.00 0.57 O ATOM 768 CB LEU A 55 5.752 1.864 -5.523 1.00 0.54 C ATOM 769 CG LEU A 55 6.667 0.665 -5.245 1.00 0.64 C ATOM 770 CD1 LEU A 55 7.994 0.908 -5.967 1.00 0.78 C ATOM 771 CD2 LEU A 55 6.913 0.475 -3.745 1.00 0.74 C ATOM 0 H LEU A 55 3.713 0.377 -6.306 1.00 0.50 H new ATOM 0 HA LEU A 55 4.433 1.775 -3.806 1.00 0.48 H new ATOM 0 HB2 LEU A 55 5.642 1.978 -6.601 1.00 0.54 H new ATOM 0 HB3 LEU A 55 6.237 2.768 -5.155 1.00 0.54 H new ATOM 0 HG LEU A 55 6.187 -0.244 -5.608 1.00 0.64 H new ATOM 0 HD11 LEU A 55 8.666 0.069 -5.786 1.00 0.78 H new ATOM 0 HD12 LEU A 55 7.813 1.004 -7.038 1.00 0.78 H new ATOM 0 HD13 LEU A 55 8.450 1.825 -5.592 1.00 0.78 H new ATOM 0 HD21 LEU A 55 7.566 -0.384 -3.589 1.00 0.74 H new ATOM 0 HD22 LEU A 55 7.386 1.369 -3.338 1.00 0.74 H new ATOM 0 HD23 LEU A 55 5.963 0.305 -3.239 1.00 0.74 H new ATOM 783 N ALA A 56 3.751 4.117 -4.771 1.00 0.50 N ATOM 784 CA ALA A 56 3.145 5.353 -5.222 1.00 0.52 C ATOM 785 C ALA A 56 4.069 6.526 -4.929 1.00 0.50 C ATOM 786 O ALA A 56 4.508 6.681 -3.796 1.00 0.75 O ATOM 787 CB ALA A 56 1.793 5.533 -4.538 1.00 0.56 C ATOM 0 H ALA A 56 4.365 4.229 -3.964 1.00 0.50 H new ATOM 0 HA ALA A 56 2.987 5.313 -6.300 1.00 0.52 H new ATOM 0 HB1 ALA A 56 1.335 6.463 -4.876 1.00 0.56 H new ATOM 0 HB2 ALA A 56 1.143 4.695 -4.791 1.00 0.56 H new ATOM 0 HB3 ALA A 56 1.934 5.570 -3.458 1.00 0.56 H new ATOM 793 N LYS A 57 4.342 7.356 -5.936 1.00 0.55 N ATOM 794 CA LYS A 57 4.892 8.688 -5.724 1.00 0.55 C ATOM 795 C LYS A 57 3.718 9.661 -5.640 1.00 0.75 C ATOM 796 O LYS A 57 2.681 9.389 -6.251 1.00 1.12 O ATOM 797 CB LYS A 57 5.847 9.059 -6.873 1.00 0.88 C ATOM 798 CG LYS A 57 5.248 8.960 -8.292 1.00 1.35 C ATOM 799 CD LYS A 57 6.124 9.758 -9.270 1.00 1.84 C ATOM 800 CE LYS A 57 5.770 9.516 -10.748 1.00 2.49 C ATOM 801 NZ LYS A 57 6.526 10.417 -11.648 1.00 3.32 N ATOM 0 H LYS A 57 4.188 7.122 -6.917 1.00 0.55 H new ATOM 0 HA LYS A 57 5.472 8.728 -4.802 1.00 0.55 H new ATOM 0 HB2 LYS A 57 6.198 10.079 -6.716 1.00 0.88 H new ATOM 0 HB3 LYS A 57 6.721 8.410 -6.820 1.00 0.88 H new ATOM 0 HG2 LYS A 57 5.192 7.917 -8.604 1.00 1.35 H new ATOM 0 HG3 LYS A 57 4.230 9.349 -8.297 1.00 1.35 H new ATOM 0 HD2 LYS A 57 6.025 10.821 -9.050 1.00 1.84 H new ATOM 0 HD3 LYS A 57 7.169 9.495 -9.107 1.00 1.84 H new ATOM 0 HE2 LYS A 57 5.984 8.479 -11.008 1.00 2.49 H new ATOM 0 HE3 LYS A 57 4.701 9.668 -10.896 1.00 2.49 H new ATOM 0 HZ1 LYS A 57 5.886 10.800 -12.373 1.00 3.32 H new ATOM 0 HZ2 LYS A 57 6.931 11.200 -11.096 1.00 3.32 H new ATOM 0 HZ3 LYS A 57 7.292 9.885 -12.108 1.00 3.32 H new ATOM 815 N GLY A 58 3.863 10.791 -4.955 1.00 0.76 N ATOM 816 CA GLY A 58 2.905 11.869 -5.103 1.00 1.05 C ATOM 817 C GLY A 58 3.308 13.114 -4.331 1.00 1.06 C ATOM 818 O GLY A 58 4.407 13.187 -3.790 1.00 1.82 O ATOM 0 H GLY A 58 4.624 10.978 -4.303 1.00 0.76 H new ATOM 0 HA2 GLY A 58 2.802 12.117 -6.159 1.00 1.05 H new ATOM 0 HA3 GLY A 58 1.927 11.532 -4.758 1.00 1.05 H new ATOM 822 N GLY A 59 2.442 14.120 -4.330 1.00 1.72 N ATOM 823 CA GLY A 59 2.778 15.462 -3.907 1.00 1.83 C ATOM 824 C GLY A 59 2.817 15.614 -2.392 1.00 1.67 C ATOM 825 O GLY A 59 2.666 14.658 -1.631 1.00 3.00 O ATOM 0 H GLY A 59 1.472 14.018 -4.629 1.00 1.72 H new ATOM 0 HA2 GLY A 59 3.749 15.735 -4.320 1.00 1.83 H new ATOM 0 HA3 GLY A 59 2.049 16.160 -4.318 1.00 1.83 H new ATOM 829 N GLY A 60 3.006 16.858 -1.955 1.00 1.38 N ATOM 830 CA GLY A 60 2.995 17.249 -0.559 1.00 2.07 C ATOM 831 C GLY A 60 1.777 16.690 0.175 1.00 1.67 C ATOM 832 O GLY A 60 1.897 16.283 1.327 1.00 2.66 O ATOM 0 H GLY A 60 3.176 17.640 -2.587 1.00 1.38 H new ATOM 0 HA2 GLY A 60 3.905 16.896 -0.075 1.00 2.07 H new ATOM 0 HA3 GLY A 60 2.997 18.337 -0.486 1.00 2.07 H new ATOM 836 N ASP A 61 0.609 16.660 -0.469 1.00 1.55 N ATOM 837 CA ASP A 61 -0.655 16.278 0.160 1.00 1.98 C ATOM 838 C ASP A 61 -0.953 14.797 0.247 1.00 1.44 C ATOM 839 O ASP A 61 -1.970 14.389 0.805 1.00 1.50 O ATOM 840 CB ASP A 61 -1.826 16.926 -0.591 1.00 3.07 C ATOM 841 CG ASP A 61 -2.082 16.180 -1.891 1.00 3.41 C ATOM 842 OD1 ASP A 61 -1.227 16.286 -2.795 1.00 4.45 O ATOM 843 OD2 ASP A 61 -3.108 15.471 -1.987 1.00 3.79 O ATOM 0 H ASP A 61 0.514 16.904 -1.455 1.00 1.55 H new ATOM 0 HA ASP A 61 -0.541 16.629 1.186 1.00 1.98 H new ATOM 0 HB2 ASP A 61 -2.721 16.910 0.030 1.00 3.07 H new ATOM 0 HB3 ASP A 61 -1.602 17.972 -0.800 1.00 3.07 H new ATOM 848 N PHE A 62 -0.057 14.028 -0.313 1.00 1.15 N ATOM 849 CA PHE A 62 -0.314 12.668 -0.757 1.00 0.85 C ATOM 850 C PHE A 62 -0.512 11.672 0.383 1.00 0.77 C ATOM 851 O PHE A 62 0.356 11.529 1.243 1.00 1.34 O ATOM 852 CB PHE A 62 0.771 12.229 -1.734 1.00 0.86 C ATOM 853 CG PHE A 62 0.443 10.980 -2.521 1.00 0.81 C ATOM 854 CD1 PHE A 62 -0.745 10.912 -3.275 1.00 1.93 C ATOM 855 CD2 PHE A 62 1.379 9.936 -2.592 1.00 2.46 C ATOM 856 CE1 PHE A 62 -1.015 9.781 -4.061 1.00 1.86 C ATOM 857 CE2 PHE A 62 1.134 8.833 -3.423 1.00 2.62 C ATOM 858 CZ PHE A 62 -0.058 8.761 -4.167 1.00 1.09 C ATOM 0 H PHE A 62 0.902 14.332 -0.481 1.00 1.15 H new ATOM 0 HA PHE A 62 -1.272 12.674 -1.276 1.00 0.85 H new ATOM 0 HB2 PHE A 62 0.963 13.043 -2.433 1.00 0.86 H new ATOM 0 HB3 PHE A 62 1.694 12.061 -1.179 1.00 0.86 H new ATOM 0 HD1 PHE A 62 -1.449 11.731 -3.248 1.00 1.93 H new ATOM 0 HD2 PHE A 62 2.286 9.982 -2.008 1.00 2.46 H new ATOM 0 HE1 PHE A 62 -1.957 9.696 -4.583 1.00 1.86 H new ATOM 0 HE2 PHE A 62 1.861 8.038 -3.492 1.00 2.62 H new ATOM 0 HZ PHE A 62 -0.236 7.920 -4.820 1.00 1.09 H new ATOM 868 N THR A 63 -1.654 10.987 0.384 1.00 0.81 N ATOM 869 CA THR A 63 -2.094 10.099 1.446 1.00 0.67 C ATOM 870 C THR A 63 -1.962 8.626 1.034 1.00 0.80 C ATOM 871 O THR A 63 -1.858 8.294 -0.149 1.00 1.52 O ATOM 872 CB THR A 63 -3.552 10.449 1.752 1.00 0.63 C ATOM 873 OG1 THR A 63 -4.285 10.494 0.543 1.00 0.78 O ATOM 874 CG2 THR A 63 -3.676 11.808 2.447 1.00 0.91 C ATOM 0 H THR A 63 -2.320 11.041 -0.387 1.00 0.81 H new ATOM 0 HA THR A 63 -1.470 10.231 2.330 1.00 0.67 H new ATOM 0 HB THR A 63 -3.945 9.682 2.419 1.00 0.63 H new ATOM 0 HG1 THR A 63 -5.243 10.429 0.739 1.00 0.78 H new ATOM 0 HG21 THR A 63 -4.726 12.020 2.647 1.00 0.91 H new ATOM 0 HG22 THR A 63 -3.124 11.788 3.387 1.00 0.91 H new ATOM 0 HG23 THR A 63 -3.266 12.585 1.802 1.00 0.91 H new ATOM 882 N GLY A 64 -2.002 7.718 2.012 1.00 0.64 N ATOM 883 CA GLY A 64 -2.010 6.291 1.731 1.00 0.66 C ATOM 884 C GLY A 64 -3.295 5.902 1.002 1.00 0.49 C ATOM 885 O GLY A 64 -3.244 5.157 0.024 1.00 0.44 O ATOM 0 H GLY A 64 -2.029 7.952 3.005 1.00 0.64 H new ATOM 0 HA2 GLY A 64 -1.145 6.028 1.122 1.00 0.66 H new ATOM 0 HA3 GLY A 64 -1.927 5.730 2.662 1.00 0.66 H new ATOM 889 N ARG A 65 -4.446 6.422 1.441 1.00 0.48 N ATOM 890 CA ARG A 65 -5.708 6.175 0.763 1.00 0.44 C ATOM 891 C ARG A 65 -5.559 6.575 -0.705 1.00 0.35 C ATOM 892 O ARG A 65 -5.890 5.788 -1.587 1.00 0.37 O ATOM 893 CB ARG A 65 -6.852 6.939 1.450 1.00 0.58 C ATOM 894 CG ARG A 65 -8.210 6.647 0.794 1.00 0.96 C ATOM 895 CD ARG A 65 -9.307 7.641 1.202 1.00 1.52 C ATOM 896 NE ARG A 65 -10.183 7.990 0.070 1.00 2.72 N ATOM 897 CZ ARG A 65 -9.858 8.815 -0.936 1.00 4.28 C ATOM 898 NH1 ARG A 65 -8.663 9.404 -0.984 1.00 5.22 N ATOM 899 NH2 ARG A 65 -10.729 9.013 -1.916 1.00 5.49 N ATOM 0 H ARG A 65 -4.522 7.017 2.266 1.00 0.48 H new ATOM 0 HA ARG A 65 -5.961 5.116 0.817 1.00 0.44 H new ATOM 0 HB2 ARG A 65 -6.891 6.664 2.504 1.00 0.58 H new ATOM 0 HB3 ARG A 65 -6.651 8.009 1.407 1.00 0.58 H new ATOM 0 HG2 ARG A 65 -8.094 6.668 -0.290 1.00 0.96 H new ATOM 0 HG3 ARG A 65 -8.525 5.638 1.061 1.00 0.96 H new ATOM 0 HD2 ARG A 65 -9.906 7.211 2.005 1.00 1.52 H new ATOM 0 HD3 ARG A 65 -8.847 8.547 1.597 1.00 1.52 H new ATOM 0 HE ARG A 65 -11.112 7.570 0.050 1.00 2.72 H new ATOM 0 HH11 ARG A 65 -7.979 9.230 -0.248 1.00 5.22 H new ATOM 0 HH12 ARG A 65 -8.433 10.029 -1.757 1.00 5.22 H new ATOM 0 HH21 ARG A 65 -11.633 8.540 -1.898 1.00 5.49 H new ATOM 0 HH22 ARG A 65 -10.495 9.638 -2.688 1.00 5.49 H new ATOM 913 N ALA A 66 -5.052 7.781 -0.976 1.00 0.38 N ATOM 914 CA ALA A 66 -4.841 8.243 -2.347 1.00 0.47 C ATOM 915 C ALA A 66 -3.936 7.282 -3.126 1.00 0.47 C ATOM 916 O ALA A 66 -4.194 6.984 -4.290 1.00 0.51 O ATOM 917 CB ALA A 66 -4.270 9.661 -2.366 1.00 0.59 C ATOM 0 H ALA A 66 -4.780 8.455 -0.261 1.00 0.38 H new ATOM 0 HA ALA A 66 -5.812 8.261 -2.841 1.00 0.47 H new ATOM 0 HB1 ALA A 66 -4.123 9.980 -3.398 1.00 0.59 H new ATOM 0 HB2 ALA A 66 -4.965 10.340 -1.872 1.00 0.59 H new ATOM 0 HB3 ALA A 66 -3.314 9.676 -1.842 1.00 0.59 H new ATOM 923 N ALA A 67 -2.871 6.776 -2.505 1.00 0.47 N ATOM 924 CA ALA A 67 -2.011 5.800 -3.155 1.00 0.52 C ATOM 925 C ALA A 67 -2.803 4.558 -3.574 1.00 0.45 C ATOM 926 O ALA A 67 -2.769 4.169 -4.741 1.00 0.52 O ATOM 927 CB ALA A 67 -0.838 5.446 -2.239 1.00 0.59 C ATOM 0 H ALA A 67 -2.588 7.027 -1.558 1.00 0.47 H new ATOM 0 HA ALA A 67 -1.607 6.239 -4.067 1.00 0.52 H new ATOM 0 HB1 ALA A 67 -0.199 4.714 -2.733 1.00 0.59 H new ATOM 0 HB2 ALA A 67 -0.261 6.345 -2.023 1.00 0.59 H new ATOM 0 HB3 ALA A 67 -1.218 5.026 -1.308 1.00 0.59 H new ATOM 933 N VAL A 68 -3.542 3.926 -2.663 1.00 0.35 N ATOM 934 CA VAL A 68 -4.308 2.745 -3.055 1.00 0.35 C ATOM 935 C VAL A 68 -5.354 3.115 -4.105 1.00 0.35 C ATOM 936 O VAL A 68 -5.548 2.402 -5.084 1.00 0.38 O ATOM 937 CB VAL A 68 -4.926 2.021 -1.855 1.00 0.39 C ATOM 938 CG1 VAL A 68 -5.481 0.662 -2.308 1.00 0.40 C ATOM 939 CG2 VAL A 68 -3.868 1.775 -0.781 1.00 0.45 C ATOM 0 H VAL A 68 -3.626 4.199 -1.684 1.00 0.35 H new ATOM 0 HA VAL A 68 -3.614 2.034 -3.503 1.00 0.35 H new ATOM 0 HB VAL A 68 -5.723 2.643 -1.448 1.00 0.39 H new ATOM 0 HG11 VAL A 68 -5.921 0.146 -1.455 1.00 0.40 H new ATOM 0 HG12 VAL A 68 -6.244 0.817 -3.071 1.00 0.40 H new ATOM 0 HG13 VAL A 68 -4.673 0.058 -2.720 1.00 0.40 H new ATOM 0 HG21 VAL A 68 -4.322 1.260 0.066 1.00 0.45 H new ATOM 0 HG22 VAL A 68 -3.067 1.161 -1.193 1.00 0.45 H new ATOM 0 HG23 VAL A 68 -3.459 2.729 -0.448 1.00 0.45 H new ATOM 949 N GLN A 69 -6.010 4.257 -3.937 1.00 0.38 N ATOM 950 CA GLN A 69 -6.900 4.802 -4.941 1.00 0.47 C ATOM 951 C GLN A 69 -6.207 4.897 -6.301 1.00 0.56 C ATOM 952 O GLN A 69 -6.858 4.653 -7.319 1.00 0.62 O ATOM 953 CB GLN A 69 -7.408 6.170 -4.482 1.00 0.59 C ATOM 954 CG GLN A 69 -8.552 6.054 -3.466 1.00 0.65 C ATOM 955 CD GLN A 69 -9.789 6.808 -3.934 1.00 1.44 C ATOM 956 OE1 GLN A 69 -9.696 7.925 -4.437 1.00 3.05 O ATOM 957 NE2 GLN A 69 -10.961 6.210 -3.798 1.00 1.95 N ATOM 0 H GLN A 69 -5.936 4.829 -3.096 1.00 0.38 H new ATOM 0 HA GLN A 69 -7.751 4.131 -5.061 1.00 0.47 H new ATOM 0 HB2 GLN A 69 -6.585 6.730 -4.038 1.00 0.59 H new ATOM 0 HB3 GLN A 69 -7.750 6.738 -5.348 1.00 0.59 H new ATOM 0 HG2 GLN A 69 -8.800 5.004 -3.314 1.00 0.65 H new ATOM 0 HG3 GLN A 69 -8.227 6.448 -2.503 1.00 0.65 H new ATOM 0 HE21 GLN A 69 -11.014 5.282 -3.377 1.00 1.95 H new ATOM 0 HE22 GLN A 69 -11.811 6.677 -4.114 1.00 1.95 H new ATOM 966 N LEU A 70 -4.912 5.226 -6.353 1.00 0.61 N ATOM 967 CA LEU A 70 -4.217 5.409 -7.613 1.00 0.70 C ATOM 968 C LEU A 70 -4.079 4.005 -8.220 1.00 0.69 C ATOM 969 O LEU A 70 -4.266 3.807 -9.420 1.00 0.78 O ATOM 970 CB LEU A 70 -2.911 6.181 -7.341 1.00 0.76 C ATOM 971 CG LEU A 70 -1.834 6.258 -8.432 1.00 0.94 C ATOM 972 CD1 LEU A 70 -1.020 4.989 -8.674 1.00 2.47 C ATOM 973 CD2 LEU A 70 -2.436 6.781 -9.731 1.00 1.92 C ATOM 0 H LEU A 70 -4.329 5.370 -5.528 1.00 0.61 H new ATOM 0 HA LEU A 70 -4.737 6.021 -8.350 1.00 0.70 H new ATOM 0 HB2 LEU A 70 -3.185 7.203 -7.080 1.00 0.76 H new ATOM 0 HB3 LEU A 70 -2.449 5.740 -6.458 1.00 0.76 H new ATOM 0 HG LEU A 70 -1.098 6.961 -8.040 1.00 0.94 H new ATOM 0 HD11 LEU A 70 -0.293 5.168 -9.466 1.00 2.47 H new ATOM 0 HD12 LEU A 70 -0.498 4.712 -7.758 1.00 2.47 H new ATOM 0 HD13 LEU A 70 -1.687 4.180 -8.970 1.00 2.47 H new ATOM 0 HD21 LEU A 70 -1.662 6.831 -10.497 1.00 1.92 H new ATOM 0 HD22 LEU A 70 -3.229 6.110 -10.060 1.00 1.92 H new ATOM 0 HD23 LEU A 70 -2.848 7.777 -9.566 1.00 1.92 H new ATOM 985 N TRP A 71 -3.845 2.998 -7.379 1.00 0.61 N ATOM 986 CA TRP A 71 -3.797 1.596 -7.784 1.00 0.61 C ATOM 987 C TRP A 71 -5.164 1.089 -8.248 1.00 0.61 C ATOM 988 O TRP A 71 -5.230 0.251 -9.140 1.00 0.84 O ATOM 989 CB TRP A 71 -3.223 0.738 -6.648 1.00 0.59 C ATOM 990 CG TRP A 71 -1.954 1.260 -6.048 1.00 0.59 C ATOM 991 CD1 TRP A 71 -1.125 2.138 -6.646 1.00 0.68 C ATOM 992 CD2 TRP A 71 -1.390 1.041 -4.720 1.00 0.55 C ATOM 993 NE1 TRP A 71 -0.235 2.626 -5.726 1.00 0.62 N ATOM 994 CE2 TRP A 71 -0.306 1.947 -4.533 1.00 0.55 C ATOM 995 CE3 TRP A 71 -1.680 0.171 -3.651 1.00 0.57 C ATOM 996 CZ2 TRP A 71 0.412 2.022 -3.332 1.00 0.54 C ATOM 997 CZ3 TRP A 71 -0.912 0.180 -2.477 1.00 0.61 C ATOM 998 CH2 TRP A 71 0.116 1.122 -2.305 1.00 0.61 C ATOM 0 H TRP A 71 -3.681 3.137 -6.382 1.00 0.61 H new ATOM 0 HA TRP A 71 -3.132 1.512 -8.644 1.00 0.61 H new ATOM 0 HB2 TRP A 71 -3.973 0.653 -5.861 1.00 0.59 H new ATOM 0 HB3 TRP A 71 -3.043 -0.268 -7.027 1.00 0.59 H new ATOM 0 HD1 TRP A 71 -1.157 2.414 -7.690 1.00 0.68 H new ATOM 0 HE1 TRP A 71 0.404 3.401 -5.905 1.00 0.62 H new ATOM 0 HE3 TRP A 71 -2.509 -0.516 -3.737 1.00 0.57 H new ATOM 0 HZ2 TRP A 71 1.184 2.766 -3.202 1.00 0.54 H new ATOM 0 HZ3 TRP A 71 -1.113 -0.543 -1.700 1.00 0.61 H new ATOM 0 HH2 TRP A 71 0.676 1.150 -1.382 1.00 0.61 H new ATOM 1009 N VAL A 72 -6.256 1.578 -7.665 1.00 0.46 N ATOM 1010 CA VAL A 72 -7.604 1.223 -8.094 1.00 0.47 C ATOM 1011 C VAL A 72 -8.026 2.046 -9.318 1.00 0.58 C ATOM 1012 O VAL A 72 -8.932 1.646 -10.042 1.00 0.73 O ATOM 1013 CB VAL A 72 -8.571 1.294 -6.898 1.00 0.45 C ATOM 1014 CG1 VAL A 72 -10.037 1.063 -7.283 1.00 0.51 C ATOM 1015 CG2 VAL A 72 -8.195 0.202 -5.890 1.00 0.45 C ATOM 0 H VAL A 72 -6.230 2.231 -6.882 1.00 0.46 H new ATOM 0 HA VAL A 72 -7.630 0.188 -8.436 1.00 0.47 H new ATOM 0 HB VAL A 72 -8.479 2.300 -6.488 1.00 0.45 H new ATOM 0 HG11 VAL A 72 -10.662 1.127 -6.392 1.00 0.51 H new ATOM 0 HG12 VAL A 72 -10.349 1.822 -8.000 1.00 0.51 H new ATOM 0 HG13 VAL A 72 -10.144 0.075 -7.731 1.00 0.51 H new ATOM 0 HG21 VAL A 72 -8.874 0.243 -5.038 1.00 0.45 H new ATOM 0 HG22 VAL A 72 -8.270 -0.775 -6.367 1.00 0.45 H new ATOM 0 HG23 VAL A 72 -7.173 0.360 -5.547 1.00 0.45 H new ATOM 1025 N SER A 73 -7.333 3.146 -9.637 1.00 0.66 N ATOM 1026 CA SER A 73 -7.606 3.911 -10.854 1.00 0.81 C ATOM 1027 C SER A 73 -7.469 3.072 -12.125 1.00 0.89 C ATOM 1028 O SER A 73 -7.922 3.489 -13.190 1.00 1.15 O ATOM 1029 CB SER A 73 -6.676 5.115 -10.974 1.00 1.09 C ATOM 1030 OG SER A 73 -6.734 5.897 -9.797 1.00 1.94 O ATOM 0 H SER A 73 -6.578 3.525 -9.066 1.00 0.66 H new ATOM 0 HA SER A 73 -8.641 4.241 -10.763 1.00 0.81 H new ATOM 0 HB2 SER A 73 -5.654 4.778 -11.145 1.00 1.09 H new ATOM 0 HB3 SER A 73 -6.961 5.719 -11.835 1.00 1.09 H new ATOM 0 HG SER A 73 -6.823 5.309 -9.018 1.00 1.94 H new ATOM 1036 N GLU A 74 -6.841 1.902 -12.039 1.00 0.88 N ATOM 1037 CA GLU A 74 -6.835 0.914 -13.101 1.00 1.02 C ATOM 1038 C GLU A 74 -8.261 0.441 -13.467 1.00 0.99 C ATOM 1039 O GLU A 74 -8.409 -0.285 -14.448 1.00 1.32 O ATOM 1040 CB GLU A 74 -5.985 -0.267 -12.627 1.00 1.05 C ATOM 1041 CG GLU A 74 -4.570 0.068 -12.120 1.00 1.80 C ATOM 1042 CD GLU A 74 -3.575 0.540 -13.153 1.00 2.40 C ATOM 1043 OE1 GLU A 74 -3.659 1.723 -13.540 1.00 3.26 O ATOM 1044 OE2 GLU A 74 -2.608 -0.202 -13.414 1.00 3.11 O ATOM 0 H GLU A 74 -6.315 1.614 -11.214 1.00 0.88 H new ATOM 0 HA GLU A 74 -6.419 1.359 -14.005 1.00 1.02 H new ATOM 0 HB2 GLU A 74 -6.523 -0.776 -11.827 1.00 1.05 H new ATOM 0 HB3 GLU A 74 -5.894 -0.975 -13.451 1.00 1.05 H new ATOM 0 HG2 GLU A 74 -4.656 0.838 -11.354 1.00 1.80 H new ATOM 0 HG3 GLU A 74 -4.163 -0.820 -11.636 1.00 1.80 H new ATOM 1051 N ARG A 75 -9.294 0.854 -12.711 1.00 0.93 N ATOM 1052 CA ARG A 75 -10.616 0.242 -12.649 1.00 0.99 C ATOM 1053 C ARG A 75 -11.060 -0.359 -13.985 1.00 1.20 C ATOM 1054 O ARG A 75 -11.123 -1.580 -14.066 1.00 1.54 O ATOM 1055 CB ARG A 75 -11.662 1.208 -12.046 1.00 1.04 C ATOM 1056 CG ARG A 75 -13.098 0.679 -12.237 1.00 1.44 C ATOM 1057 CD ARG A 75 -14.185 1.628 -11.723 1.00 1.96 C ATOM 1058 NE ARG A 75 -15.473 1.279 -12.352 1.00 3.10 N ATOM 1059 CZ ARG A 75 -16.553 0.740 -11.767 1.00 3.65 C ATOM 1060 NH1 ARG A 75 -16.693 0.704 -10.442 1.00 3.38 N ATOM 1061 NH2 ARG A 75 -17.489 0.198 -12.542 1.00 5.32 N ATOM 0 H ARG A 75 -9.216 1.666 -12.099 1.00 0.93 H new ATOM 0 HA ARG A 75 -10.538 -0.605 -11.967 1.00 0.99 H new ATOM 0 HB2 ARG A 75 -11.462 1.345 -10.983 1.00 1.04 H new ATOM 0 HB3 ARG A 75 -11.568 2.187 -12.516 1.00 1.04 H new ATOM 0 HG2 ARG A 75 -13.267 0.490 -13.297 1.00 1.44 H new ATOM 0 HG3 ARG A 75 -13.193 -0.278 -11.724 1.00 1.44 H new ATOM 0 HD2 ARG A 75 -14.265 1.555 -10.638 1.00 1.96 H new ATOM 0 HD3 ARG A 75 -13.922 2.660 -11.954 1.00 1.96 H new ATOM 0 HE ARG A 75 -15.552 1.470 -13.351 1.00 3.10 H new ATOM 0 HH11 ARG A 75 -15.966 1.094 -9.842 1.00 3.38 H new ATOM 0 HH12 ARG A 75 -17.527 0.287 -10.028 1.00 3.38 H new ATOM 0 HH21 ARG A 75 -17.375 0.199 -13.556 1.00 5.32 H new ATOM 0 HH22 ARG A 75 -18.320 -0.219 -12.122 1.00 5.32 H new ATOM 1075 N PRO A 76 -11.380 0.429 -15.018 1.00 1.15 N ATOM 1076 CA PRO A 76 -12.071 -0.091 -16.188 1.00 1.31 C ATOM 1077 C PRO A 76 -11.243 -1.101 -16.981 1.00 1.33 C ATOM 1078 O PRO A 76 -11.794 -1.949 -17.685 1.00 1.80 O ATOM 1079 CB PRO A 76 -12.384 1.137 -17.032 1.00 1.49 C ATOM 1080 CG PRO A 76 -11.299 2.142 -16.635 1.00 1.38 C ATOM 1081 CD PRO A 76 -11.169 1.863 -15.143 1.00 1.17 C ATOM 0 HA PRO A 76 -12.963 -0.644 -15.892 1.00 1.31 H new ATOM 0 HB2 PRO A 76 -12.348 0.910 -18.097 1.00 1.49 H new ATOM 0 HB3 PRO A 76 -13.382 1.522 -16.822 1.00 1.49 H new ATOM 0 HG2 PRO A 76 -10.364 1.971 -17.169 1.00 1.38 H new ATOM 0 HG3 PRO A 76 -11.597 3.171 -16.837 1.00 1.38 H new ATOM 0 HD2 PRO A 76 -10.187 2.153 -14.770 1.00 1.17 H new ATOM 0 HD3 PRO A 76 -11.907 2.424 -14.569 1.00 1.17 H new ATOM 1089 N SER A 77 -9.921 -0.984 -16.919 1.00 1.27 N ATOM 1090 CA SER A 77 -9.003 -1.850 -17.626 1.00 1.50 C ATOM 1091 C SER A 77 -8.739 -3.137 -16.834 1.00 1.70 C ATOM 1092 O SER A 77 -8.285 -4.123 -17.410 1.00 1.97 O ATOM 1093 CB SER A 77 -7.753 -1.043 -18.000 1.00 1.76 C ATOM 1094 OG SER A 77 -7.718 0.187 -17.286 1.00 2.06 O ATOM 0 H SER A 77 -9.455 -0.268 -16.363 1.00 1.27 H new ATOM 0 HA SER A 77 -9.436 -2.201 -18.562 1.00 1.50 H new ATOM 0 HB2 SER A 77 -6.858 -1.624 -17.777 1.00 1.76 H new ATOM 0 HB3 SER A 77 -7.747 -0.847 -19.072 1.00 1.76 H new ATOM 0 HG SER A 77 -7.043 0.135 -16.578 1.00 2.06 H new ATOM 1100 N TYR A 78 -9.053 -3.175 -15.537 1.00 1.66 N ATOM 1101 CA TYR A 78 -9.268 -4.446 -14.860 1.00 1.67 C ATOM 1102 C TYR A 78 -10.738 -4.772 -15.174 1.00 1.66 C ATOM 1103 O TYR A 78 -11.541 -3.858 -15.351 1.00 1.93 O ATOM 1104 CB TYR A 78 -8.907 -4.334 -13.363 1.00 1.75 C ATOM 1105 CG TYR A 78 -10.060 -4.409 -12.381 1.00 1.33 C ATOM 1106 CD1 TYR A 78 -10.786 -5.600 -12.220 1.00 2.10 C ATOM 1107 CD2 TYR A 78 -10.432 -3.277 -11.638 1.00 1.92 C ATOM 1108 CE1 TYR A 78 -12.020 -5.578 -11.557 1.00 2.32 C ATOM 1109 CE2 TYR A 78 -11.679 -3.241 -10.990 1.00 2.04 C ATOM 1110 CZ TYR A 78 -12.502 -4.382 -11.006 1.00 1.81 C ATOM 1111 OH TYR A 78 -13.786 -4.325 -10.552 1.00 2.55 O ATOM 0 H TYR A 78 -9.162 -2.351 -14.946 1.00 1.66 H new ATOM 0 HA TYR A 78 -8.629 -5.263 -15.195 1.00 1.67 H new ATOM 0 HB2 TYR A 78 -8.201 -5.129 -13.122 1.00 1.75 H new ATOM 0 HB3 TYR A 78 -8.387 -3.389 -13.207 1.00 1.75 H new ATOM 0 HD1 TYR A 78 -10.395 -6.530 -12.606 1.00 2.10 H new ATOM 0 HD2 TYR A 78 -9.760 -2.434 -11.564 1.00 1.92 H new ATOM 0 HE1 TYR A 78 -12.601 -6.484 -11.470 1.00 2.32 H new ATOM 0 HE2 TYR A 78 -12.003 -2.344 -10.483 1.00 2.04 H new ATOM 0 HH TYR A 78 -13.969 -3.429 -10.199 1.00 2.55 H new ATOM 1121 N ASN A 79 -11.116 -6.037 -15.352 1.00 1.47 N ATOM 1122 CA ASN A 79 -12.444 -6.327 -15.883 1.00 1.66 C ATOM 1123 C ASN A 79 -12.983 -7.671 -15.402 1.00 1.44 C ATOM 1124 O ASN A 79 -12.753 -8.715 -16.016 1.00 2.11 O ATOM 1125 CB ASN A 79 -12.451 -6.201 -17.410 1.00 2.03 C ATOM 1126 CG ASN A 79 -13.833 -6.498 -17.973 1.00 2.41 C ATOM 1127 OD1 ASN A 79 -14.819 -6.557 -17.246 1.00 2.07 O ATOM 1128 ND2 ASN A 79 -13.928 -6.699 -19.280 1.00 3.80 N ATOM 0 H ASN A 79 -10.541 -6.854 -15.144 1.00 1.47 H new ATOM 0 HA ASN A 79 -13.132 -5.580 -15.487 1.00 1.66 H new ATOM 0 HB2 ASN A 79 -12.145 -5.195 -17.697 1.00 2.03 H new ATOM 0 HB3 ASN A 79 -11.723 -6.890 -17.839 1.00 2.03 H new ATOM 0 HD21 ASN A 79 -14.834 -6.907 -19.699 1.00 3.80 H new ATOM 0 HD22 ASN A 79 -13.095 -6.645 -19.866 1.00 3.80 H new ATOM 1135 N TYR A 80 -13.748 -7.621 -14.314 1.00 1.48 N ATOM 1136 CA TYR A 80 -14.434 -8.767 -13.746 1.00 1.48 C ATOM 1137 C TYR A 80 -15.413 -9.394 -14.736 1.00 1.71 C ATOM 1138 O TYR A 80 -15.642 -10.600 -14.666 1.00 2.04 O ATOM 1139 CB TYR A 80 -15.166 -8.358 -12.462 1.00 1.94 C ATOM 1140 CG TYR A 80 -15.785 -9.515 -11.697 1.00 2.00 C ATOM 1141 CD1 TYR A 80 -15.028 -10.199 -10.730 1.00 2.07 C ATOM 1142 CD2 TYR A 80 -17.106 -9.925 -11.960 1.00 3.40 C ATOM 1143 CE1 TYR A 80 -15.575 -11.294 -10.042 1.00 2.09 C ATOM 1144 CE2 TYR A 80 -17.652 -11.024 -11.274 1.00 3.99 C ATOM 1145 CZ TYR A 80 -16.891 -11.701 -10.307 1.00 2.91 C ATOM 1146 OH TYR A 80 -17.382 -12.812 -9.690 1.00 3.52 O ATOM 0 H TYR A 80 -13.909 -6.758 -13.794 1.00 1.48 H new ATOM 0 HA TYR A 80 -13.681 -9.519 -13.510 1.00 1.48 H new ATOM 0 HB2 TYR A 80 -14.465 -7.840 -11.808 1.00 1.94 H new ATOM 0 HB3 TYR A 80 -15.951 -7.646 -12.717 1.00 1.94 H new ATOM 0 HD1 TYR A 80 -14.019 -9.880 -10.515 1.00 2.07 H new ATOM 0 HD2 TYR A 80 -17.700 -9.395 -12.689 1.00 3.40 H new ATOM 0 HE1 TYR A 80 -14.983 -11.822 -9.309 1.00 2.09 H new ATOM 0 HE2 TYR A 80 -18.659 -11.348 -11.491 1.00 3.99 H new ATOM 0 HH TYR A 80 -18.307 -12.963 -9.976 1.00 3.52 H new ATOM 1156 N ALA A 81 -16.016 -8.617 -15.640 1.00 2.98 N ATOM 1157 CA ALA A 81 -17.154 -9.081 -16.418 1.00 3.39 C ATOM 1158 C ALA A 81 -16.802 -10.316 -17.235 1.00 3.48 C ATOM 1159 O ALA A 81 -17.628 -11.212 -17.384 1.00 4.04 O ATOM 1160 CB ALA A 81 -17.682 -7.960 -17.311 1.00 3.69 C ATOM 0 H ALA A 81 -15.729 -7.660 -15.847 1.00 2.98 H new ATOM 0 HA ALA A 81 -17.944 -9.367 -15.724 1.00 3.39 H new ATOM 0 HB1 ALA A 81 -18.533 -8.324 -17.886 1.00 3.69 H new ATOM 0 HB2 ALA A 81 -17.995 -7.119 -16.692 1.00 3.69 H new ATOM 0 HB3 ALA A 81 -16.895 -7.636 -17.992 1.00 3.69 H new ATOM 1166 N THR A 82 -15.576 -10.367 -17.748 1.00 3.09 N ATOM 1167 CA THR A 82 -15.029 -11.516 -18.455 1.00 3.22 C ATOM 1168 C THR A 82 -13.804 -12.064 -17.706 1.00 2.91 C ATOM 1169 O THR A 82 -12.935 -12.711 -18.295 1.00 3.14 O ATOM 1170 CB THR A 82 -14.735 -11.063 -19.890 1.00 3.45 C ATOM 1171 OG1 THR A 82 -14.151 -9.772 -19.883 1.00 3.63 O ATOM 1172 CG2 THR A 82 -16.042 -10.967 -20.676 1.00 3.66 C ATOM 0 H THR A 82 -14.920 -9.589 -17.681 1.00 3.09 H new ATOM 0 HA THR A 82 -15.731 -12.349 -18.497 1.00 3.22 H new ATOM 0 HB THR A 82 -14.058 -11.786 -20.345 1.00 3.45 H new ATOM 0 HG1 THR A 82 -13.965 -9.492 -20.804 1.00 3.63 H new ATOM 0 HG21 THR A 82 -15.831 -10.645 -21.696 1.00 3.66 H new ATOM 0 HG22 THR A 82 -16.526 -11.943 -20.697 1.00 3.66 H new ATOM 0 HG23 THR A 82 -16.703 -10.244 -20.197 1.00 3.66 H new ATOM 1180 N ASN A 83 -13.753 -11.805 -16.396 1.00 2.53 N ATOM 1181 CA ASN A 83 -12.734 -12.222 -15.440 1.00 2.31 C ATOM 1182 C ASN A 83 -11.318 -12.128 -16.019 1.00 2.14 C ATOM 1183 O ASN A 83 -10.583 -13.118 -16.051 1.00 2.48 O ATOM 1184 CB ASN A 83 -13.087 -13.615 -14.888 1.00 2.69 C ATOM 1185 CG ASN A 83 -12.404 -13.903 -13.551 1.00 2.66 C ATOM 1186 OD1 ASN A 83 -11.187 -13.823 -13.421 1.00 2.84 O ATOM 1187 ND2 ASN A 83 -13.173 -14.222 -12.516 1.00 2.93 N ATOM 0 H ASN A 83 -14.484 -11.254 -15.945 1.00 2.53 H new ATOM 0 HA ASN A 83 -12.729 -11.528 -14.600 1.00 2.31 H new ATOM 0 HB2 ASN A 83 -14.167 -13.691 -14.765 1.00 2.69 H new ATOM 0 HB3 ASN A 83 -12.795 -14.375 -15.613 1.00 2.69 H new ATOM 0 HD21 ASN A 83 -12.752 -14.403 -11.605 1.00 2.93 H new ATOM 0 HD22 ASN A 83 -14.184 -14.286 -12.633 1.00 2.93 H new ATOM 1194 N GLN A 84 -10.924 -10.956 -16.525 1.00 1.84 N ATOM 1195 CA GLN A 84 -9.639 -10.782 -17.196 1.00 1.86 C ATOM 1196 C GLN A 84 -9.186 -9.326 -17.143 1.00 1.54 C ATOM 1197 O GLN A 84 -9.964 -8.443 -16.791 1.00 1.78 O ATOM 1198 CB GLN A 84 -9.733 -11.292 -18.643 1.00 2.33 C ATOM 1199 CG GLN A 84 -10.746 -10.504 -19.490 1.00 3.16 C ATOM 1200 CD GLN A 84 -11.005 -11.193 -20.825 1.00 4.27 C ATOM 1201 OE1 GLN A 84 -10.690 -10.661 -21.889 1.00 5.00 O ATOM 1202 NE2 GLN A 84 -11.582 -12.385 -20.790 1.00 5.08 N ATOM 0 H GLN A 84 -11.486 -10.106 -16.480 1.00 1.84 H new ATOM 0 HA GLN A 84 -8.885 -11.371 -16.673 1.00 1.86 H new ATOM 0 HB2 GLN A 84 -8.750 -11.229 -19.110 1.00 2.33 H new ATOM 0 HB3 GLN A 84 -10.015 -12.345 -18.634 1.00 2.33 H new ATOM 0 HG2 GLN A 84 -11.683 -10.405 -18.942 1.00 3.16 H new ATOM 0 HG3 GLN A 84 -10.371 -9.496 -19.665 1.00 3.16 H new ATOM 0 HE21 GLN A 84 -11.833 -12.804 -19.895 1.00 5.08 H new ATOM 0 HE22 GLN A 84 -11.775 -12.884 -21.658 1.00 5.08 H new ATOM 1211 N CYS A 85 -7.926 -9.053 -17.481 1.00 1.58 N ATOM 1212 CA CYS A 85 -7.405 -7.691 -17.576 1.00 1.61 C ATOM 1213 C CYS A 85 -7.418 -7.260 -19.030 1.00 1.84 C ATOM 1214 O CYS A 85 -6.868 -7.947 -19.888 1.00 2.44 O ATOM 1215 CB CYS A 85 -5.990 -7.567 -17.016 1.00 1.86 C ATOM 1216 SG CYS A 85 -5.961 -7.150 -15.265 1.00 2.38 S ATOM 0 H CYS A 85 -7.236 -9.773 -17.697 1.00 1.58 H new ATOM 0 HA CYS A 85 -8.045 -7.045 -16.975 1.00 1.61 H new ATOM 0 HB2 CYS A 85 -5.461 -8.508 -17.169 1.00 1.86 H new ATOM 0 HB3 CYS A 85 -5.450 -6.803 -17.575 1.00 1.86 H new ATOM 1221 N VAL A 86 -8.043 -6.126 -19.316 1.00 1.82 N ATOM 1222 CA VAL A 86 -8.246 -5.661 -20.671 1.00 2.15 C ATOM 1223 C VAL A 86 -6.889 -5.125 -21.125 1.00 2.43 C ATOM 1224 O VAL A 86 -6.337 -4.186 -20.551 1.00 2.50 O ATOM 1225 CB VAL A 86 -9.282 -4.538 -20.673 1.00 1.96 C ATOM 1226 CG1 VAL A 86 -9.232 -3.582 -21.862 1.00 2.24 C ATOM 1227 CG2 VAL A 86 -10.701 -5.017 -20.372 1.00 2.09 C ATOM 0 H VAL A 86 -8.424 -5.502 -18.605 1.00 1.82 H new ATOM 0 HA VAL A 86 -8.608 -6.450 -21.330 1.00 2.15 H new ATOM 0 HB VAL A 86 -8.965 -3.925 -19.830 1.00 1.96 H new ATOM 0 HG11 VAL A 86 -10.012 -2.828 -21.756 1.00 2.24 H new ATOM 0 HG12 VAL A 86 -8.258 -3.094 -21.896 1.00 2.24 H new ATOM 0 HG13 VAL A 86 -9.390 -4.140 -22.785 1.00 2.24 H new ATOM 0 HG21 VAL A 86 -11.383 -4.167 -20.390 1.00 2.09 H new ATOM 0 HG22 VAL A 86 -11.007 -5.744 -21.124 1.00 2.09 H new ATOM 0 HG23 VAL A 86 -10.727 -5.482 -19.387 1.00 2.09 H new ATOM 1237 N GLY A 87 -6.372 -5.734 -22.178 1.00 2.99 N ATOM 1238 CA GLY A 87 -5.147 -5.349 -22.868 1.00 3.44 C ATOM 1239 C GLY A 87 -3.932 -5.158 -21.951 1.00 4.01 C ATOM 1240 O GLY A 87 -3.005 -4.429 -22.309 1.00 5.09 O ATOM 0 H GLY A 87 -6.815 -6.551 -22.598 1.00 2.99 H new ATOM 0 HA2 GLY A 87 -4.909 -6.110 -23.611 1.00 3.44 H new ATOM 0 HA3 GLY A 87 -5.327 -4.420 -23.410 1.00 3.44 H new ATOM 1244 N GLY A 88 -3.898 -5.835 -20.800 1.00 3.98 N ATOM 1245 CA GLY A 88 -2.725 -5.915 -19.939 1.00 5.02 C ATOM 1246 C GLY A 88 -2.439 -4.640 -19.136 1.00 4.55 C ATOM 1247 O GLY A 88 -2.296 -4.701 -17.913 1.00 5.56 O ATOM 0 H GLY A 88 -4.701 -6.350 -20.438 1.00 3.98 H new ATOM 0 HA2 GLY A 88 -2.855 -6.745 -19.245 1.00 5.02 H new ATOM 0 HA3 GLY A 88 -1.854 -6.146 -20.553 1.00 5.02 H new ATOM 1251 N LYS A 89 -2.258 -3.501 -19.804 1.00 3.77 N ATOM 1252 CA LYS A 89 -1.885 -2.251 -19.157 1.00 3.45 C ATOM 1253 C LYS A 89 -3.062 -1.610 -18.425 1.00 2.32 C ATOM 1254 O LYS A 89 -4.219 -1.976 -18.622 1.00 2.56 O ATOM 1255 CB LYS A 89 -1.317 -1.267 -20.172 1.00 4.40 C ATOM 1256 CG LYS A 89 0.026 -1.805 -20.686 1.00 6.27 C ATOM 1257 CD LYS A 89 1.068 -0.685 -20.735 1.00 7.57 C ATOM 1258 CE LYS A 89 1.332 -0.158 -22.153 1.00 8.30 C ATOM 1259 NZ LYS A 89 0.099 0.185 -22.898 1.00 7.61 N ATOM 0 H LYS A 89 -2.368 -3.423 -20.815 1.00 3.77 H new ATOM 0 HA LYS A 89 -1.120 -2.493 -18.419 1.00 3.45 H new ATOM 0 HB2 LYS A 89 -2.013 -1.136 -21.001 1.00 4.40 H new ATOM 0 HB3 LYS A 89 -1.180 -0.288 -19.713 1.00 4.40 H new ATOM 0 HG2 LYS A 89 0.376 -2.607 -20.036 1.00 6.27 H new ATOM 0 HG3 LYS A 89 -0.103 -2.233 -21.680 1.00 6.27 H new ATOM 0 HD2 LYS A 89 0.734 0.140 -20.105 1.00 7.57 H new ATOM 0 HD3 LYS A 89 2.003 -1.051 -20.311 1.00 7.57 H new ATOM 0 HE2 LYS A 89 1.966 0.726 -22.091 1.00 8.30 H new ATOM 0 HE3 LYS A 89 1.888 -0.910 -22.713 1.00 8.30 H new ATOM 0 HZ1 LYS A 89 0.347 0.732 -23.747 1.00 7.61 H new ATOM 0 HZ2 LYS A 89 -0.390 -0.688 -23.180 1.00 7.61 H new ATOM 0 HZ3 LYS A 89 -0.527 0.752 -22.291 1.00 7.61 H new ATOM 1273 N LYS A 90 -2.704 -0.627 -17.599 1.00 2.48 N ATOM 1274 CA LYS A 90 -3.548 0.085 -16.650 1.00 3.08 C ATOM 1275 C LYS A 90 -4.532 -0.871 -15.975 1.00 2.47 C ATOM 1276 O LYS A 90 -5.707 -0.575 -15.804 1.00 3.20 O ATOM 1277 CB LYS A 90 -4.178 1.316 -17.317 1.00 4.17 C ATOM 1278 CG LYS A 90 -3.091 2.382 -17.563 1.00 4.87 C ATOM 1279 CD LYS A 90 -2.983 2.823 -19.027 1.00 5.43 C ATOM 1280 CE LYS A 90 -4.240 3.525 -19.551 1.00 7.06 C ATOM 1281 NZ LYS A 90 -4.610 4.724 -18.776 1.00 8.07 N ATOM 0 H LYS A 90 -1.743 -0.285 -17.577 1.00 2.48 H new ATOM 0 HA LYS A 90 -2.946 0.481 -15.832 1.00 3.08 H new ATOM 0 HB2 LYS A 90 -4.644 1.033 -18.261 1.00 4.17 H new ATOM 0 HB3 LYS A 90 -4.965 1.724 -16.682 1.00 4.17 H new ATOM 0 HG2 LYS A 90 -3.303 3.254 -16.944 1.00 4.87 H new ATOM 0 HG3 LYS A 90 -2.128 1.988 -17.239 1.00 4.87 H new ATOM 0 HD2 LYS A 90 -2.131 3.495 -19.133 1.00 5.43 H new ATOM 0 HD3 LYS A 90 -2.780 1.950 -19.647 1.00 5.43 H new ATOM 0 HE2 LYS A 90 -4.081 3.809 -20.591 1.00 7.06 H new ATOM 0 HE3 LYS A 90 -5.072 2.821 -19.536 1.00 7.06 H new ATOM 0 HZ1 LYS A 90 -5.405 5.207 -19.242 1.00 8.07 H new ATOM 0 HZ2 LYS A 90 -4.890 4.443 -17.815 1.00 8.07 H new ATOM 0 HZ3 LYS A 90 -3.796 5.369 -18.725 1.00 8.07 H new ATOM 1295 N CYS A 91 -4.011 -2.030 -15.588 1.00 1.70 N ATOM 1296 CA CYS A 91 -4.704 -3.083 -14.860 1.00 1.43 C ATOM 1297 C CYS A 91 -3.848 -3.459 -13.661 1.00 1.42 C ATOM 1298 O CYS A 91 -4.347 -3.629 -12.547 1.00 2.39 O ATOM 1299 CB CYS A 91 -4.969 -4.303 -15.753 1.00 1.61 C ATOM 1300 SG CYS A 91 -4.318 -5.880 -15.132 1.00 2.57 S ATOM 0 H CYS A 91 -3.040 -2.272 -15.785 1.00 1.70 H new ATOM 0 HA CYS A 91 -5.679 -2.724 -14.530 1.00 1.43 H new ATOM 0 HB2 CYS A 91 -6.045 -4.403 -15.892 1.00 1.61 H new ATOM 0 HB3 CYS A 91 -4.537 -4.113 -16.736 1.00 1.61 H new ATOM 1305 N ARG A 92 -2.544 -3.634 -13.905 1.00 0.95 N ATOM 1306 CA ARG A 92 -1.677 -4.335 -12.982 1.00 1.01 C ATOM 1307 C ARG A 92 -1.191 -3.391 -11.885 1.00 0.84 C ATOM 1308 O ARG A 92 0.006 -3.108 -11.793 1.00 1.58 O ATOM 1309 CB ARG A 92 -0.559 -5.075 -13.742 1.00 1.62 C ATOM 1310 CG ARG A 92 -0.304 -6.485 -13.191 1.00 2.39 C ATOM 1311 CD ARG A 92 0.351 -6.510 -11.803 1.00 1.77 C ATOM 1312 NE ARG A 92 1.811 -6.689 -11.875 1.00 2.05 N ATOM 1313 CZ ARG A 92 2.744 -5.732 -11.787 1.00 3.35 C ATOM 1314 NH1 ARG A 92 2.404 -4.444 -11.705 1.00 4.67 N ATOM 1315 NH2 ARG A 92 4.022 -6.099 -11.811 1.00 4.03 N ATOM 0 H ARG A 92 -2.074 -3.293 -14.743 1.00 0.95 H new ATOM 0 HA ARG A 92 -2.235 -5.116 -12.465 1.00 1.01 H new ATOM 0 HB2 ARG A 92 -0.826 -5.144 -14.797 1.00 1.62 H new ATOM 0 HB3 ARG A 92 0.361 -4.494 -13.683 1.00 1.62 H new ATOM 0 HG2 ARG A 92 -1.252 -7.021 -13.143 1.00 2.39 H new ATOM 0 HG3 ARG A 92 0.333 -7.026 -13.891 1.00 2.39 H new ATOM 0 HD2 ARG A 92 0.127 -5.579 -11.282 1.00 1.77 H new ATOM 0 HD3 ARG A 92 -0.083 -7.318 -11.214 1.00 1.77 H new ATOM 0 HE ARG A 92 2.147 -7.643 -12.006 1.00 2.05 H new ATOM 0 HH11 ARG A 92 1.420 -4.175 -11.709 1.00 4.67 H new ATOM 0 HH12 ARG A 92 3.128 -3.729 -11.639 1.00 4.67 H new ATOM 0 HH21 ARG A 92 4.268 -7.085 -11.895 1.00 4.03 H new ATOM 0 HH22 ARG A 92 4.756 -5.394 -11.746 1.00 4.03 H new ATOM 1329 N HIS A 93 -2.123 -2.916 -11.063 1.00 0.66 N ATOM 1330 CA HIS A 93 -1.913 -2.361 -9.736 1.00 0.54 C ATOM 1331 C HIS A 93 -3.084 -2.822 -8.877 1.00 0.46 C ATOM 1332 O HIS A 93 -2.870 -3.430 -7.829 1.00 0.46 O ATOM 1333 CB HIS A 93 -1.771 -0.840 -9.752 1.00 0.64 C ATOM 1334 CG HIS A 93 -0.533 -0.403 -10.472 1.00 0.96 C ATOM 1335 ND1 HIS A 93 -0.486 0.064 -11.770 1.00 1.98 N ATOM 1336 CD2 HIS A 93 0.747 -0.589 -10.025 1.00 0.90 C ATOM 1337 CE1 HIS A 93 0.808 0.210 -12.092 1.00 2.37 C ATOM 1338 NE2 HIS A 93 1.572 -0.168 -11.047 1.00 1.63 N ATOM 0 H HIS A 93 -3.108 -2.910 -11.327 1.00 0.66 H new ATOM 0 HA HIS A 93 -0.970 -2.719 -9.323 1.00 0.54 H new ATOM 0 HB2 HIS A 93 -2.645 -0.399 -10.231 1.00 0.64 H new ATOM 0 HB3 HIS A 93 -1.747 -0.467 -8.728 1.00 0.64 H new ATOM 0 HD1 HIS A 93 -1.286 0.261 -12.372 1.00 1.98 H new ATOM 0 HD2 HIS A 93 1.050 -0.985 -9.067 1.00 0.90 H new ATOM 0 HE1 HIS A 93 1.179 0.573 -13.039 1.00 2.37 H new ATOM 1347 N TYR A 94 -4.308 -2.593 -9.365 1.00 0.49 N ATOM 1348 CA TYR A 94 -5.529 -3.153 -8.807 1.00 0.42 C ATOM 1349 C TYR A 94 -5.344 -4.641 -8.526 1.00 0.38 C ATOM 1350 O TYR A 94 -5.770 -5.116 -7.482 1.00 0.35 O ATOM 1351 CB TYR A 94 -6.712 -2.929 -9.760 1.00 0.44 C ATOM 1352 CG TYR A 94 -8.020 -3.539 -9.280 1.00 0.64 C ATOM 1353 CD1 TYR A 94 -8.321 -4.884 -9.562 1.00 1.36 C ATOM 1354 CD2 TYR A 94 -8.945 -2.762 -8.560 1.00 1.89 C ATOM 1355 CE1 TYR A 94 -9.534 -5.444 -9.126 1.00 1.49 C ATOM 1356 CE2 TYR A 94 -10.140 -3.332 -8.089 1.00 2.18 C ATOM 1357 CZ TYR A 94 -10.428 -4.677 -8.362 1.00 1.41 C ATOM 1358 OH TYR A 94 -11.618 -5.212 -7.983 1.00 1.81 O ATOM 0 H TYR A 94 -4.474 -1.999 -10.177 1.00 0.49 H new ATOM 0 HA TYR A 94 -5.747 -2.644 -7.868 1.00 0.42 H new ATOM 0 HB2 TYR A 94 -6.853 -1.857 -9.901 1.00 0.44 H new ATOM 0 HB3 TYR A 94 -6.464 -3.349 -10.735 1.00 0.44 H new ATOM 0 HD1 TYR A 94 -7.617 -5.488 -10.115 1.00 1.36 H new ATOM 0 HD2 TYR A 94 -8.736 -1.720 -8.368 1.00 1.89 H new ATOM 0 HE1 TYR A 94 -9.779 -6.465 -9.379 1.00 1.49 H new ATOM 0 HE2 TYR A 94 -10.836 -2.735 -7.518 1.00 2.18 H new ATOM 0 HH TYR A 94 -11.728 -5.112 -7.014 1.00 1.81 H new ATOM 1368 N THR A 95 -4.702 -5.373 -9.437 1.00 0.43 N ATOM 1369 CA THR A 95 -4.462 -6.796 -9.274 1.00 0.43 C ATOM 1370 C THR A 95 -3.951 -7.136 -7.872 1.00 0.44 C ATOM 1371 O THR A 95 -4.530 -8.004 -7.241 1.00 0.52 O ATOM 1372 CB THR A 95 -3.495 -7.281 -10.360 1.00 0.58 C ATOM 1373 OG1 THR A 95 -2.482 -6.320 -10.582 1.00 0.76 O ATOM 1374 CG2 THR A 95 -4.228 -7.476 -11.689 1.00 0.69 C ATOM 0 H THR A 95 -4.335 -4.990 -10.308 1.00 0.43 H new ATOM 0 HA THR A 95 -5.411 -7.320 -9.387 1.00 0.43 H new ATOM 0 HB THR A 95 -3.068 -8.223 -10.016 1.00 0.58 H new ATOM 0 HG1 THR A 95 -1.798 -6.398 -9.884 1.00 0.76 H new ATOM 0 HG21 THR A 95 -3.523 -7.820 -12.446 1.00 0.69 H new ATOM 0 HG22 THR A 95 -5.017 -8.217 -11.564 1.00 0.69 H new ATOM 0 HG23 THR A 95 -4.666 -6.529 -12.005 1.00 0.69 H new ATOM 1382 N GLN A 96 -2.897 -6.483 -7.370 1.00 0.51 N ATOM 1383 CA GLN A 96 -2.409 -6.745 -6.017 1.00 0.65 C ATOM 1384 C GLN A 96 -3.460 -6.315 -4.999 1.00 0.61 C ATOM 1385 O GLN A 96 -3.725 -7.033 -4.044 1.00 0.80 O ATOM 1386 CB GLN A 96 -1.064 -6.060 -5.744 1.00 0.93 C ATOM 1387 CG GLN A 96 -0.611 -6.216 -4.286 1.00 1.56 C ATOM 1388 CD GLN A 96 -0.444 -7.663 -3.822 1.00 1.56 C ATOM 1389 OE1 GLN A 96 0.624 -8.333 -4.224 1.00 3.48 O flip ATOM 1390 NE2 GLN A 96 -1.269 -8.200 -3.096 1.00 1.17 N flip ATOM 0 H GLN A 96 -2.370 -5.774 -7.879 1.00 0.51 H new ATOM 0 HA GLN A 96 -2.236 -7.817 -5.923 1.00 0.65 H new ATOM 0 HB2 GLN A 96 -0.305 -6.480 -6.404 1.00 0.93 H new ATOM 0 HB3 GLN A 96 -1.144 -5.000 -5.985 1.00 0.93 H new ATOM 0 HG2 GLN A 96 0.338 -5.695 -4.157 1.00 1.56 H new ATOM 0 HG3 GLN A 96 -1.336 -5.722 -3.639 1.00 1.56 H new ATOM 0 HE21 GLN A 96 -2.091 -7.681 -2.788 1.00 1.17 H new ATOM 0 HE22 GLN A 96 -1.135 -9.167 -2.799 1.00 1.17 H new ATOM 1399 N VAL A 97 -4.039 -5.129 -5.190 1.00 0.46 N ATOM 1400 CA VAL A 97 -5.004 -4.586 -4.246 1.00 0.45 C ATOM 1401 C VAL A 97 -6.127 -5.599 -4.011 1.00 0.54 C ATOM 1402 O VAL A 97 -6.607 -5.757 -2.892 1.00 0.77 O ATOM 1403 CB VAL A 97 -5.524 -3.223 -4.734 1.00 0.38 C ATOM 1404 CG1 VAL A 97 -6.514 -2.616 -3.741 1.00 0.44 C ATOM 1405 CG2 VAL A 97 -4.363 -2.238 -4.864 1.00 0.43 C ATOM 0 H VAL A 97 -3.853 -4.528 -5.993 1.00 0.46 H new ATOM 0 HA VAL A 97 -4.521 -4.410 -3.285 1.00 0.45 H new ATOM 0 HB VAL A 97 -6.013 -3.392 -5.693 1.00 0.38 H new ATOM 0 HG11 VAL A 97 -6.862 -1.654 -4.116 1.00 0.44 H new ATOM 0 HG12 VAL A 97 -7.364 -3.287 -3.619 1.00 0.44 H new ATOM 0 HG13 VAL A 97 -6.023 -2.474 -2.778 1.00 0.44 H new ATOM 0 HG21 VAL A 97 -4.740 -1.275 -5.210 1.00 0.43 H new ATOM 0 HG22 VAL A 97 -3.882 -2.112 -3.894 1.00 0.43 H new ATOM 0 HG23 VAL A 97 -3.638 -2.623 -5.581 1.00 0.43 H new ATOM 1415 N VAL A 98 -6.506 -6.307 -5.069 1.00 0.40 N ATOM 1416 CA VAL A 98 -7.503 -7.348 -5.039 1.00 0.39 C ATOM 1417 C VAL A 98 -6.930 -8.692 -4.598 1.00 0.45 C ATOM 1418 O VAL A 98 -7.583 -9.382 -3.824 1.00 0.77 O ATOM 1419 CB VAL A 98 -8.266 -7.359 -6.379 1.00 0.36 C ATOM 1420 CG1 VAL A 98 -8.048 -8.598 -7.244 1.00 0.42 C ATOM 1421 CG2 VAL A 98 -9.756 -7.256 -6.086 1.00 0.47 C ATOM 0 H VAL A 98 -6.109 -6.160 -5.997 1.00 0.40 H new ATOM 0 HA VAL A 98 -8.240 -7.134 -4.265 1.00 0.39 H new ATOM 0 HB VAL A 98 -7.875 -6.515 -6.946 1.00 0.36 H new ATOM 0 HG11 VAL A 98 -8.628 -8.507 -8.163 1.00 0.42 H new ATOM 0 HG12 VAL A 98 -6.990 -8.688 -7.490 1.00 0.42 H new ATOM 0 HG13 VAL A 98 -8.370 -9.484 -6.698 1.00 0.42 H new ATOM 0 HG21 VAL A 98 -10.312 -7.262 -7.023 1.00 0.47 H new ATOM 0 HG22 VAL A 98 -10.066 -8.103 -5.474 1.00 0.47 H new ATOM 0 HG23 VAL A 98 -9.958 -6.329 -5.550 1.00 0.47 H new ATOM 1431 N TRP A 99 -5.720 -9.034 -5.040 1.00 0.48 N ATOM 1432 CA TRP A 99 -5.164 -10.380 -5.108 1.00 0.52 C ATOM 1433 C TRP A 99 -5.644 -11.260 -3.960 1.00 0.50 C ATOM 1434 O TRP A 99 -5.180 -11.135 -2.827 1.00 0.51 O ATOM 1435 CB TRP A 99 -3.634 -10.327 -5.194 1.00 0.59 C ATOM 1436 CG TRP A 99 -2.938 -11.536 -5.730 1.00 0.68 C ATOM 1437 CD1 TRP A 99 -2.450 -12.549 -4.987 1.00 0.84 C ATOM 1438 CD2 TRP A 99 -2.512 -11.806 -7.100 1.00 0.62 C ATOM 1439 NE1 TRP A 99 -1.750 -13.416 -5.792 1.00 0.83 N ATOM 1440 CE2 TRP A 99 -1.739 -13.004 -7.103 1.00 0.70 C ATOM 1441 CE3 TRP A 99 -2.646 -11.129 -8.331 1.00 0.61 C ATOM 1442 CZ2 TRP A 99 -1.102 -13.483 -8.254 1.00 0.74 C ATOM 1443 CZ3 TRP A 99 -2.039 -11.622 -9.502 1.00 0.73 C ATOM 1444 CH2 TRP A 99 -1.224 -12.767 -9.450 1.00 0.79 C ATOM 0 H TRP A 99 -5.063 -8.332 -5.381 1.00 0.48 H new ATOM 0 HA TRP A 99 -5.534 -10.847 -6.021 1.00 0.52 H new ATOM 0 HB2 TRP A 99 -3.360 -9.475 -5.817 1.00 0.59 H new ATOM 0 HB3 TRP A 99 -3.246 -10.129 -4.195 1.00 0.59 H new ATOM 0 HD1 TRP A 99 -2.588 -12.662 -3.922 1.00 0.84 H new ATOM 0 HE1 TRP A 99 -1.293 -14.264 -5.456 1.00 0.83 H new ATOM 0 HE3 TRP A 99 -3.224 -10.218 -8.376 1.00 0.61 H new ATOM 0 HZ2 TRP A 99 -0.523 -14.394 -8.219 1.00 0.74 H new ATOM 0 HZ3 TRP A 99 -2.200 -11.119 -10.444 1.00 0.73 H new ATOM 0 HH2 TRP A 99 -0.693 -13.093 -10.332 1.00 0.79 H new ATOM 1455 N ARG A 100 -6.612 -12.125 -4.253 1.00 0.57 N ATOM 1456 CA ARG A 100 -7.332 -12.953 -3.304 1.00 0.66 C ATOM 1457 C ARG A 100 -6.362 -13.644 -2.354 1.00 0.71 C ATOM 1458 O ARG A 100 -6.571 -13.671 -1.139 1.00 0.81 O ATOM 1459 CB ARG A 100 -8.167 -13.964 -4.108 1.00 0.69 C ATOM 1460 CG ARG A 100 -9.262 -14.648 -3.282 1.00 1.16 C ATOM 1461 CD ARG A 100 -9.277 -16.162 -3.535 1.00 1.33 C ATOM 1462 NE ARG A 100 -10.549 -16.779 -3.138 1.00 2.41 N ATOM 1463 CZ ARG A 100 -11.110 -16.797 -1.923 1.00 3.49 C ATOM 1464 NH1 ARG A 100 -10.472 -16.340 -0.849 1.00 4.05 N ATOM 1465 NH2 ARG A 100 -12.358 -17.239 -1.804 1.00 4.80 N ATOM 0 H ARG A 100 -6.928 -12.271 -5.212 1.00 0.57 H new ATOM 0 HA ARG A 100 -7.993 -12.348 -2.684 1.00 0.66 H new ATOM 0 HB2 ARG A 100 -8.627 -13.452 -4.953 1.00 0.69 H new ATOM 0 HB3 ARG A 100 -7.504 -14.725 -4.519 1.00 0.69 H new ATOM 0 HG2 ARG A 100 -9.097 -14.454 -2.222 1.00 1.16 H new ATOM 0 HG3 ARG A 100 -10.233 -14.224 -3.536 1.00 1.16 H new ATOM 0 HD2 ARG A 100 -9.097 -16.353 -4.593 1.00 1.33 H new ATOM 0 HD3 ARG A 100 -8.461 -16.629 -2.983 1.00 1.33 H new ATOM 0 HE ARG A 100 -11.068 -17.251 -3.878 1.00 2.41 H new ATOM 0 HH11 ARG A 100 -9.529 -15.962 -0.938 1.00 4.05 H new ATOM 0 HH12 ARG A 100 -10.926 -16.367 0.064 1.00 4.05 H new ATOM 0 HH21 ARG A 100 -12.868 -17.555 -2.629 1.00 4.80 H new ATOM 0 HH22 ARG A 100 -12.806 -17.262 -0.888 1.00 4.80 H new ATOM 1479 N ASN A 101 -5.298 -14.203 -2.927 1.00 0.71 N ATOM 1480 CA ASN A 101 -4.291 -14.947 -2.192 1.00 0.71 C ATOM 1481 C ASN A 101 -3.521 -14.077 -1.200 1.00 0.74 C ATOM 1482 O ASN A 101 -3.037 -14.619 -0.208 1.00 1.34 O ATOM 1483 CB ASN A 101 -3.324 -15.638 -3.155 1.00 0.80 C ATOM 1484 CG ASN A 101 -3.931 -16.868 -3.806 1.00 1.93 C ATOM 1485 OD1 ASN A 101 -4.338 -16.844 -4.965 1.00 3.01 O ATOM 1486 ND2 ASN A 101 -4.020 -17.965 -3.070 1.00 2.80 N ATOM 0 H ASN A 101 -5.113 -14.148 -3.929 1.00 0.71 H new ATOM 0 HA ASN A 101 -4.821 -15.701 -1.610 1.00 0.71 H new ATOM 0 HB2 ASN A 101 -3.022 -14.933 -3.929 1.00 0.80 H new ATOM 0 HB3 ASN A 101 -2.422 -15.925 -2.615 1.00 0.80 H new ATOM 0 HD21 ASN A 101 -4.432 -18.811 -3.463 1.00 2.80 H new ATOM 0 HD22 ASN A 101 -3.676 -17.964 -2.110 1.00 2.80 H new ATOM 1493 N SER A 102 -3.415 -12.767 -1.429 1.00 0.67 N ATOM 1494 CA SER A 102 -2.683 -11.855 -0.563 1.00 0.73 C ATOM 1495 C SER A 102 -3.613 -11.468 0.579 1.00 0.79 C ATOM 1496 O SER A 102 -4.782 -11.146 0.332 1.00 1.02 O ATOM 1497 CB SER A 102 -2.275 -10.593 -1.328 1.00 0.94 C ATOM 1498 OG SER A 102 -1.530 -10.913 -2.485 1.00 1.79 O ATOM 0 H SER A 102 -3.843 -12.308 -2.233 1.00 0.67 H new ATOM 0 HA SER A 102 -1.778 -12.338 -0.195 1.00 0.73 H new ATOM 0 HB2 SER A 102 -3.166 -10.032 -1.610 1.00 0.94 H new ATOM 0 HB3 SER A 102 -1.684 -9.947 -0.679 1.00 0.94 H new ATOM 0 HG SER A 102 -2.120 -11.326 -3.150 1.00 1.79 H new ATOM 1504 N VAL A 103 -3.129 -11.547 1.816 1.00 0.86 N ATOM 1505 CA VAL A 103 -3.973 -11.431 3.002 1.00 0.78 C ATOM 1506 C VAL A 103 -3.357 -10.561 4.086 1.00 0.73 C ATOM 1507 O VAL A 103 -4.055 -9.814 4.764 1.00 1.17 O ATOM 1508 CB VAL A 103 -4.386 -12.822 3.511 1.00 0.85 C ATOM 1509 CG1 VAL A 103 -5.313 -13.513 2.502 1.00 0.99 C ATOM 1510 CG2 VAL A 103 -3.176 -13.721 3.783 1.00 0.90 C ATOM 0 H VAL A 103 -2.141 -11.693 2.024 1.00 0.86 H new ATOM 0 HA VAL A 103 -4.882 -10.907 2.707 1.00 0.78 H new ATOM 0 HB VAL A 103 -4.914 -12.668 4.452 1.00 0.85 H new ATOM 0 HG11 VAL A 103 -5.594 -14.496 2.880 1.00 0.99 H new ATOM 0 HG12 VAL A 103 -6.209 -12.909 2.359 1.00 0.99 H new ATOM 0 HG13 VAL A 103 -4.795 -13.625 1.550 1.00 0.99 H new ATOM 0 HG21 VAL A 103 -3.518 -14.692 4.141 1.00 0.90 H new ATOM 0 HG22 VAL A 103 -2.606 -13.853 2.863 1.00 0.90 H new ATOM 0 HG23 VAL A 103 -2.542 -13.259 4.539 1.00 0.90 H new ATOM 1520 N ARG A 104 -2.047 -10.646 4.217 1.00 0.65 N ATOM 1521 CA ARG A 104 -1.252 -9.817 5.103 1.00 0.71 C ATOM 1522 C ARG A 104 -0.791 -8.616 4.291 1.00 0.68 C ATOM 1523 O ARG A 104 -0.259 -8.803 3.196 1.00 0.98 O ATOM 1524 CB ARG A 104 -0.038 -10.625 5.556 1.00 0.97 C ATOM 1525 CG ARG A 104 -0.418 -11.746 6.530 1.00 1.56 C ATOM 1526 CD ARG A 104 -0.224 -11.292 7.977 1.00 2.81 C ATOM 1527 NE ARG A 104 1.206 -11.180 8.300 1.00 3.14 N ATOM 1528 CZ ARG A 104 1.732 -11.345 9.520 1.00 4.01 C ATOM 1529 NH1 ARG A 104 0.963 -11.332 10.605 1.00 4.80 N ATOM 1530 NH2 ARG A 104 3.037 -11.570 9.616 1.00 4.60 N ATOM 0 H ARG A 104 -1.488 -11.317 3.691 1.00 0.65 H new ATOM 0 HA ARG A 104 -1.819 -9.496 5.977 1.00 0.71 H new ATOM 0 HB2 ARG A 104 0.455 -11.055 4.685 1.00 0.97 H new ATOM 0 HB3 ARG A 104 0.681 -9.960 6.034 1.00 0.97 H new ATOM 0 HG2 ARG A 104 -1.456 -12.037 6.371 1.00 1.56 H new ATOM 0 HG3 ARG A 104 0.193 -12.627 6.335 1.00 1.56 H new ATOM 0 HD2 ARG A 104 -0.713 -10.330 8.130 1.00 2.81 H new ATOM 0 HD3 ARG A 104 -0.700 -12.002 8.653 1.00 2.81 H new ATOM 0 HE ARG A 104 1.846 -10.960 7.537 1.00 3.14 H new ATOM 0 HH11 ARG A 104 -0.044 -11.195 10.515 1.00 4.80 H new ATOM 0 HH12 ARG A 104 1.380 -11.459 11.527 1.00 4.80 H new ATOM 0 HH21 ARG A 104 3.610 -11.613 8.774 1.00 4.60 H new ATOM 0 HH22 ARG A 104 3.466 -11.700 10.532 1.00 4.60 H new ATOM 1544 N LEU A 105 -0.994 -7.406 4.806 1.00 0.60 N ATOM 1545 CA LEU A 105 -0.566 -6.171 4.172 1.00 0.55 C ATOM 1546 C LEU A 105 0.172 -5.323 5.190 1.00 0.59 C ATOM 1547 O LEU A 105 -0.327 -5.111 6.288 1.00 0.77 O ATOM 1548 CB LEU A 105 -1.812 -5.443 3.666 1.00 0.55 C ATOM 1549 CG LEU A 105 -1.563 -4.020 3.152 1.00 0.78 C ATOM 1550 CD1 LEU A 105 -0.518 -4.028 2.035 1.00 1.95 C ATOM 1551 CD2 LEU A 105 -2.875 -3.425 2.630 1.00 1.77 C ATOM 0 H LEU A 105 -1.471 -7.258 5.695 1.00 0.60 H new ATOM 0 HA LEU A 105 0.104 -6.370 3.336 1.00 0.55 H new ATOM 0 HB2 LEU A 105 -2.258 -6.031 2.864 1.00 0.55 H new ATOM 0 HB3 LEU A 105 -2.543 -5.400 4.473 1.00 0.55 H new ATOM 0 HG LEU A 105 -1.188 -3.411 3.974 1.00 0.78 H new ATOM 0 HD11 LEU A 105 -0.354 -3.010 1.683 1.00 1.95 H new ATOM 0 HD12 LEU A 105 0.419 -4.435 2.416 1.00 1.95 H new ATOM 0 HD13 LEU A 105 -0.873 -4.645 1.209 1.00 1.95 H new ATOM 0 HD21 LEU A 105 -2.696 -2.414 2.265 1.00 1.77 H new ATOM 0 HD22 LEU A 105 -3.256 -4.042 1.816 1.00 1.77 H new ATOM 0 HD23 LEU A 105 -3.607 -3.395 3.437 1.00 1.77 H new ATOM 1563 N GLY A 106 1.328 -4.782 4.831 1.00 0.67 N ATOM 1564 CA GLY A 106 1.973 -3.771 5.641 1.00 0.61 C ATOM 1565 C GLY A 106 2.534 -2.724 4.698 1.00 0.55 C ATOM 1566 O GLY A 106 3.082 -3.069 3.653 1.00 0.59 O ATOM 0 H GLY A 106 1.835 -5.030 3.982 1.00 0.67 H new ATOM 0 HA2 GLY A 106 1.261 -3.322 6.333 1.00 0.61 H new ATOM 0 HA3 GLY A 106 2.768 -4.211 6.243 1.00 0.61 H new ATOM 1570 N CYS A 107 2.344 -1.444 5.019 1.00 0.57 N ATOM 1571 CA CYS A 107 2.642 -0.357 4.102 1.00 0.52 C ATOM 1572 C CYS A 107 3.394 0.732 4.826 1.00 0.51 C ATOM 1573 O CYS A 107 3.152 0.987 6.007 1.00 0.76 O ATOM 1574 CB CYS A 107 1.374 0.230 3.484 1.00 0.66 C ATOM 1575 SG CYS A 107 0.201 -0.937 2.779 1.00 1.35 S ATOM 0 H CYS A 107 1.980 -1.138 5.921 1.00 0.57 H new ATOM 0 HA CYS A 107 3.253 -0.765 3.297 1.00 0.52 H new ATOM 0 HB2 CYS A 107 0.859 0.808 4.251 1.00 0.66 H new ATOM 0 HB3 CYS A 107 1.669 0.929 2.702 1.00 0.66 H new ATOM 1580 N GLY A 108 4.290 1.378 4.094 1.00 0.52 N ATOM 1581 CA GLY A 108 5.239 2.337 4.588 1.00 0.59 C ATOM 1582 C GLY A 108 5.091 3.620 3.793 1.00 0.65 C ATOM 1583 O GLY A 108 4.220 3.744 2.925 1.00 1.28 O ATOM 0 H GLY A 108 4.370 1.232 3.088 1.00 0.52 H new ATOM 0 HA2 GLY A 108 5.068 2.527 5.648 1.00 0.59 H new ATOM 0 HA3 GLY A 108 6.253 1.949 4.494 1.00 0.59 H new ATOM 1587 N ARG A 109 5.922 4.598 4.137 1.00 0.70 N ATOM 1588 CA ARG A 109 5.815 5.951 3.645 1.00 0.63 C ATOM 1589 C ARG A 109 7.130 6.638 3.972 1.00 0.64 C ATOM 1590 O ARG A 109 7.600 6.489 5.100 1.00 1.10 O ATOM 1591 CB ARG A 109 4.632 6.618 4.351 1.00 0.80 C ATOM 1592 CG ARG A 109 4.239 7.955 3.716 1.00 0.74 C ATOM 1593 CD ARG A 109 3.015 8.563 4.414 1.00 1.18 C ATOM 1594 NE ARG A 109 1.946 7.565 4.592 1.00 2.61 N ATOM 1595 CZ ARG A 109 1.716 6.893 5.733 1.00 4.21 C ATOM 1596 NH1 ARG A 109 2.005 7.435 6.915 1.00 4.29 N ATOM 1597 NH2 ARG A 109 1.247 5.645 5.661 1.00 6.19 N ATOM 0 H ARG A 109 6.702 4.461 4.779 1.00 0.70 H new ATOM 0 HA ARG A 109 5.639 6.003 2.571 1.00 0.63 H new ATOM 0 HB2 ARG A 109 3.775 5.945 4.329 1.00 0.80 H new ATOM 0 HB3 ARG A 109 4.884 6.779 5.399 1.00 0.80 H new ATOM 0 HG2 ARG A 109 5.077 8.649 3.776 1.00 0.74 H new ATOM 0 HG3 ARG A 109 4.022 7.808 2.658 1.00 0.74 H new ATOM 0 HD2 ARG A 109 3.309 8.961 5.385 1.00 1.18 H new ATOM 0 HD3 ARG A 109 2.639 9.401 3.827 1.00 1.18 H new ATOM 0 HE ARG A 109 1.339 7.371 3.795 1.00 2.61 H new ATOM 0 HH11 ARG A 109 2.406 8.372 6.962 1.00 4.29 H new ATOM 0 HH12 ARG A 109 1.825 6.913 7.773 1.00 4.29 H new ATOM 0 HH21 ARG A 109 1.070 5.218 4.752 1.00 6.19 H new ATOM 0 HH22 ARG A 109 1.066 5.118 6.515 1.00 6.19 H new ATOM 1611 N ALA A 110 7.733 7.348 3.023 1.00 0.44 N ATOM 1612 CA ALA A 110 8.965 8.098 3.225 1.00 0.47 C ATOM 1613 C ALA A 110 8.911 9.309 2.305 1.00 0.46 C ATOM 1614 O ALA A 110 8.396 9.188 1.192 1.00 0.54 O ATOM 1615 CB ALA A 110 10.180 7.224 2.899 1.00 0.55 C ATOM 0 H ALA A 110 7.370 7.418 2.072 1.00 0.44 H new ATOM 0 HA ALA A 110 9.061 8.413 4.264 1.00 0.47 H new ATOM 0 HB1 ALA A 110 11.093 7.798 3.055 1.00 0.55 H new ATOM 0 HB2 ALA A 110 10.185 6.350 3.551 1.00 0.55 H new ATOM 0 HB3 ALA A 110 10.127 6.901 1.859 1.00 0.55 H new ATOM 1621 N ARG A 111 9.376 10.476 2.747 1.00 0.51 N ATOM 1622 CA ARG A 111 9.344 11.654 1.895 1.00 0.58 C ATOM 1623 C ARG A 111 10.598 11.638 1.035 1.00 0.63 C ATOM 1624 O ARG A 111 11.713 11.641 1.555 1.00 0.83 O ATOM 1625 CB ARG A 111 9.207 12.961 2.681 1.00 0.69 C ATOM 1626 CG ARG A 111 8.684 14.054 1.732 1.00 0.93 C ATOM 1627 CD ARG A 111 8.706 15.447 2.364 1.00 1.27 C ATOM 1628 NE ARG A 111 10.056 16.031 2.323 1.00 1.93 N ATOM 1629 CZ ARG A 111 10.361 17.245 2.807 1.00 2.78 C ATOM 1630 NH1 ARG A 111 9.423 17.974 3.408 1.00 3.22 N ATOM 1631 NH2 ARG A 111 11.598 17.717 2.673 1.00 3.94 N ATOM 0 H ARG A 111 9.772 10.627 3.675 1.00 0.51 H new ATOM 0 HA ARG A 111 8.454 11.615 1.267 1.00 0.58 H new ATOM 0 HB2 ARG A 111 8.522 12.828 3.519 1.00 0.69 H new ATOM 0 HB3 ARG A 111 10.170 13.253 3.100 1.00 0.69 H new ATOM 0 HG2 ARG A 111 9.289 14.062 0.825 1.00 0.93 H new ATOM 0 HG3 ARG A 111 7.664 13.812 1.433 1.00 0.93 H new ATOM 0 HD2 ARG A 111 8.009 16.099 1.837 1.00 1.27 H new ATOM 0 HD3 ARG A 111 8.365 15.385 3.398 1.00 1.27 H new ATOM 0 HE ARG A 111 10.804 15.481 1.902 1.00 1.93 H new ATOM 0 HH11 ARG A 111 8.475 17.610 3.500 1.00 3.22 H new ATOM 0 HH12 ARG A 111 9.653 18.897 3.777 1.00 3.22 H new ATOM 0 HH21 ARG A 111 12.310 17.157 2.204 1.00 3.94 H new ATOM 0 HH22 ARG A 111 11.834 18.639 3.039 1.00 3.94 H new ATOM 1645 N CYS A 112 10.422 11.629 -0.279 1.00 0.83 N ATOM 1646 CA CYS A 112 11.523 11.674 -1.219 1.00 0.94 C ATOM 1647 C CYS A 112 12.294 12.972 -1.108 1.00 1.01 C ATOM 1648 O CYS A 112 11.739 14.025 -0.785 1.00 1.31 O ATOM 1649 CB CYS A 112 11.067 11.499 -2.667 1.00 1.54 C ATOM 1650 SG CYS A 112 9.912 10.175 -3.025 1.00 2.20 S ATOM 0 H CYS A 112 9.504 11.590 -0.721 1.00 0.83 H new ATOM 0 HA CYS A 112 12.169 10.837 -0.954 1.00 0.94 H new ATOM 0 HB2 CYS A 112 10.614 12.436 -2.991 1.00 1.54 H new ATOM 0 HB3 CYS A 112 11.954 11.345 -3.281 1.00 1.54 H new ATOM 1655 N ASN A 113 13.585 12.890 -1.421 1.00 1.16 N ATOM 1656 CA ASN A 113 14.511 14.004 -1.322 1.00 1.79 C ATOM 1657 C ASN A 113 14.000 15.218 -2.100 1.00 2.39 C ATOM 1658 O ASN A 113 14.083 16.345 -1.622 1.00 3.18 O ATOM 1659 CB ASN A 113 15.894 13.561 -1.806 1.00 1.81 C ATOM 1660 CG ASN A 113 16.978 14.573 -1.452 1.00 2.43 C ATOM 1661 OD1 ASN A 113 16.929 15.198 -0.397 1.00 3.91 O ATOM 1662 ND2 ASN A 113 17.997 14.719 -2.288 1.00 2.54 N ATOM 0 H ASN A 113 14.020 12.030 -1.756 1.00 1.16 H new ATOM 0 HA ASN A 113 14.591 14.311 -0.279 1.00 1.79 H new ATOM 0 HB2 ASN A 113 16.141 12.596 -1.362 1.00 1.81 H new ATOM 0 HB3 ASN A 113 15.871 13.419 -2.886 1.00 1.81 H new ATOM 0 HD21 ASN A 113 18.757 15.359 -2.059 1.00 2.54 H new ATOM 0 HD22 ASN A 113 18.021 14.191 -3.160 1.00 2.54 H new ATOM 1669 N ASN A 114 13.378 14.991 -3.258 1.00 2.42 N ATOM 1670 CA ASN A 114 12.850 16.070 -4.094 1.00 3.23 C ATOM 1671 C ASN A 114 11.735 16.848 -3.394 1.00 4.39 C ATOM 1672 O ASN A 114 11.604 18.049 -3.636 1.00 5.45 O ATOM 1673 CB ASN A 114 12.342 15.535 -5.442 1.00 3.23 C ATOM 1674 CG ASN A 114 10.915 15.011 -5.341 1.00 4.21 C ATOM 1675 OD1 ASN A 114 10.667 14.050 -4.628 1.00 4.23 O ATOM 1676 ND2 ASN A 114 9.949 15.642 -5.996 1.00 5.62 N ATOM 0 H ASN A 114 13.227 14.058 -3.641 1.00 2.42 H new ATOM 0 HA ASN A 114 13.679 16.754 -4.274 1.00 3.23 H new ATOM 0 HB2 ASN A 114 12.386 16.329 -6.188 1.00 3.23 H new ATOM 0 HB3 ASN A 114 12.999 14.737 -5.787 1.00 3.23 H new ATOM 0 HD21 ASN A 114 8.983 15.327 -5.908 1.00 5.62 H new ATOM 0 HD22 ASN A 114 10.172 16.443 -6.587 1.00 5.62 H new ATOM 1683 N GLY A 115 10.943 16.178 -2.550 1.00 4.36 N ATOM 1684 CA GLY A 115 9.808 16.757 -1.848 1.00 5.36 C ATOM 1685 C GLY A 115 8.468 16.099 -2.197 1.00 4.08 C ATOM 1686 O GLY A 115 7.424 16.565 -1.732 1.00 4.83 O ATOM 0 H GLY A 115 11.083 15.191 -2.335 1.00 4.36 H new ATOM 0 HA2 GLY A 115 9.975 16.674 -0.774 1.00 5.36 H new ATOM 0 HA3 GLY A 115 9.752 17.820 -2.080 1.00 5.36 H new ATOM 1690 N TRP A 116 8.461 15.017 -2.979 1.00 2.30 N ATOM 1691 CA TRP A 116 7.286 14.165 -3.104 1.00 1.30 C ATOM 1692 C TRP A 116 7.227 13.218 -1.913 1.00 1.05 C ATOM 1693 O TRP A 116 8.254 12.896 -1.324 1.00 1.17 O ATOM 1694 CB TRP A 116 7.347 13.374 -4.416 1.00 0.92 C ATOM 1695 CG TRP A 116 6.961 14.111 -5.662 1.00 1.40 C ATOM 1696 CD1 TRP A 116 6.308 15.294 -5.733 1.00 2.30 C ATOM 1697 CD2 TRP A 116 7.198 13.713 -7.043 1.00 1.46 C ATOM 1698 NE1 TRP A 116 6.117 15.638 -7.051 1.00 2.77 N ATOM 1699 CE2 TRP A 116 6.673 14.716 -7.905 1.00 2.23 C ATOM 1700 CE3 TRP A 116 7.814 12.604 -7.652 1.00 1.41 C ATOM 1701 CZ2 TRP A 116 6.773 14.637 -9.298 1.00 2.49 C ATOM 1702 CZ3 TRP A 116 7.983 12.547 -9.049 1.00 1.76 C ATOM 1703 CH2 TRP A 116 7.456 13.554 -9.871 1.00 2.10 C ATOM 0 H TRP A 116 9.260 14.713 -3.535 1.00 2.30 H new ATOM 0 HA TRP A 116 6.387 14.781 -3.118 1.00 1.30 H new ATOM 0 HB2 TRP A 116 8.363 13.001 -4.542 1.00 0.92 H new ATOM 0 HB3 TRP A 116 6.698 12.504 -4.320 1.00 0.92 H new ATOM 0 HD1 TRP A 116 5.986 15.879 -4.884 1.00 2.30 H new ATOM 0 HE1 TRP A 116 5.623 16.476 -7.357 1.00 2.77 H new ATOM 0 HE3 TRP A 116 8.162 11.785 -7.040 1.00 1.41 H new ATOM 0 HZ2 TRP A 116 6.331 15.399 -9.923 1.00 2.49 H new ATOM 0 HZ3 TRP A 116 8.522 11.722 -9.491 1.00 1.76 H new ATOM 0 HH2 TRP A 116 7.576 13.496 -10.943 1.00 2.10 H new ATOM 1714 N TRP A 117 6.031 12.758 -1.566 1.00 0.97 N ATOM 1715 CA TRP A 117 5.845 11.649 -0.655 1.00 0.82 C ATOM 1716 C TRP A 117 5.864 10.353 -1.462 1.00 0.82 C ATOM 1717 O TRP A 117 5.240 10.265 -2.520 1.00 1.09 O ATOM 1718 CB TRP A 117 4.555 11.844 0.144 1.00 0.90 C ATOM 1719 CG TRP A 117 4.741 12.638 1.401 1.00 1.00 C ATOM 1720 CD1 TRP A 117 4.317 13.900 1.638 1.00 1.37 C ATOM 1721 CD2 TRP A 117 5.415 12.210 2.617 1.00 0.93 C ATOM 1722 NE1 TRP A 117 4.676 14.273 2.920 1.00 1.49 N ATOM 1723 CE2 TRP A 117 5.362 13.269 3.568 1.00 1.28 C ATOM 1724 CE3 TRP A 117 6.072 11.027 3.009 1.00 0.80 C ATOM 1725 CZ2 TRP A 117 5.927 13.153 4.848 1.00 1.46 C ATOM 1726 CZ3 TRP A 117 6.601 10.884 4.304 1.00 1.09 C ATOM 1727 CH2 TRP A 117 6.539 11.945 5.218 1.00 1.38 C ATOM 0 H TRP A 117 5.158 13.152 -1.916 1.00 0.97 H new ATOM 0 HA TRP A 117 6.652 11.597 0.076 1.00 0.82 H new ATOM 0 HB2 TRP A 117 3.820 12.344 -0.486 1.00 0.90 H new ATOM 0 HB3 TRP A 117 4.144 10.867 0.399 1.00 0.90 H new ATOM 0 HD1 TRP A 117 3.781 14.520 0.935 1.00 1.37 H new ATOM 0 HE1 TRP A 117 4.460 15.179 3.335 1.00 1.49 H new ATOM 0 HE3 TRP A 117 6.171 10.216 2.303 1.00 0.80 H new ATOM 0 HZ2 TRP A 117 5.891 13.982 5.539 1.00 1.46 H new ATOM 0 HZ3 TRP A 117 7.058 9.950 4.596 1.00 1.09 H new ATOM 0 HH2 TRP A 117 6.962 11.833 6.206 1.00 1.38 H new ATOM 1738 N PHE A 118 6.606 9.362 -0.968 1.00 0.73 N ATOM 1739 CA PHE A 118 6.636 8.007 -1.486 1.00 0.72 C ATOM 1740 C PHE A 118 5.826 7.144 -0.535 1.00 0.72 C ATOM 1741 O PHE A 118 5.980 7.283 0.680 1.00 1.03 O ATOM 1742 CB PHE A 118 8.076 7.486 -1.498 1.00 0.74 C ATOM 1743 CG PHE A 118 8.355 6.307 -2.409 1.00 0.80 C ATOM 1744 CD1 PHE A 118 8.052 6.371 -3.783 1.00 2.09 C ATOM 1745 CD2 PHE A 118 9.137 5.248 -1.921 1.00 1.94 C ATOM 1746 CE1 PHE A 118 8.537 5.382 -4.656 1.00 2.27 C ATOM 1747 CE2 PHE A 118 9.606 4.249 -2.788 1.00 1.91 C ATOM 1748 CZ PHE A 118 9.321 4.326 -4.159 1.00 1.15 C ATOM 0 H PHE A 118 7.223 9.493 -0.166 1.00 0.73 H new ATOM 0 HA PHE A 118 6.235 7.981 -2.499 1.00 0.72 H new ATOM 0 HB2 PHE A 118 8.734 8.305 -1.787 1.00 0.74 H new ATOM 0 HB3 PHE A 118 8.346 7.204 -0.480 1.00 0.74 H new ATOM 0 HD1 PHE A 118 7.447 7.180 -4.166 1.00 2.09 H new ATOM 0 HD2 PHE A 118 9.380 5.202 -0.870 1.00 1.94 H new ATOM 0 HE1 PHE A 118 8.307 5.433 -5.710 1.00 2.27 H new ATOM 0 HE2 PHE A 118 10.185 3.423 -2.401 1.00 1.91 H new ATOM 0 HZ PHE A 118 9.704 3.574 -4.833 1.00 1.15 H new ATOM 1758 N ILE A 119 4.998 6.257 -1.071 1.00 0.53 N ATOM 1759 CA ILE A 119 4.318 5.208 -0.340 1.00 0.53 C ATOM 1760 C ILE A 119 4.738 3.878 -0.964 1.00 0.53 C ATOM 1761 O ILE A 119 4.870 3.778 -2.186 1.00 0.53 O ATOM 1762 CB ILE A 119 2.790 5.434 -0.380 1.00 0.60 C ATOM 1763 CG1 ILE A 119 2.309 6.286 0.809 1.00 0.78 C ATOM 1764 CG2 ILE A 119 2.019 4.112 -0.369 1.00 0.53 C ATOM 1765 CD1 ILE A 119 2.445 7.786 0.520 1.00 1.06 C ATOM 0 H ILE A 119 4.776 6.253 -2.067 1.00 0.53 H new ATOM 0 HA ILE A 119 4.593 5.208 0.715 1.00 0.53 H new ATOM 0 HB ILE A 119 2.590 5.963 -1.312 1.00 0.60 H new ATOM 0 HG12 ILE A 119 1.268 6.050 1.029 1.00 0.78 H new ATOM 0 HG13 ILE A 119 2.888 6.032 1.697 1.00 0.78 H new ATOM 0 HG21 ILE A 119 0.948 4.315 -0.398 1.00 0.53 H new ATOM 0 HG22 ILE A 119 2.300 3.520 -1.240 1.00 0.53 H new ATOM 0 HG23 ILE A 119 2.259 3.558 0.539 1.00 0.53 H new ATOM 0 HD11 ILE A 119 2.096 8.356 1.381 1.00 1.06 H new ATOM 0 HD12 ILE A 119 3.490 8.026 0.326 1.00 1.06 H new ATOM 0 HD13 ILE A 119 1.845 8.044 -0.353 1.00 1.06 H new ATOM 1777 N SER A 120 4.897 2.862 -0.121 1.00 0.73 N ATOM 1778 CA SER A 120 5.092 1.473 -0.493 1.00 0.73 C ATOM 1779 C SER A 120 4.025 0.658 0.237 1.00 0.72 C ATOM 1780 O SER A 120 3.688 0.991 1.372 1.00 0.79 O ATOM 1781 CB SER A 120 6.501 1.050 -0.058 1.00 0.83 C ATOM 1782 OG SER A 120 6.796 1.598 1.221 1.00 2.27 O ATOM 0 H SER A 120 4.892 2.997 0.890 1.00 0.73 H new ATOM 0 HA SER A 120 5.001 1.316 -1.568 1.00 0.73 H new ATOM 0 HB2 SER A 120 6.569 -0.037 -0.022 1.00 0.83 H new ATOM 0 HB3 SER A 120 7.235 1.392 -0.788 1.00 0.83 H new ATOM 0 HG SER A 120 7.642 1.228 1.548 1.00 2.27 H new ATOM 1788 N CYS A 121 3.482 -0.387 -0.380 1.00 0.74 N ATOM 1789 CA CYS A 121 2.754 -1.440 0.321 1.00 0.69 C ATOM 1790 C CYS A 121 3.415 -2.743 -0.067 1.00 0.54 C ATOM 1791 O CYS A 121 3.633 -2.934 -1.262 1.00 0.68 O ATOM 1792 CB CYS A 121 1.288 -1.513 -0.099 1.00 0.88 C ATOM 1793 SG CYS A 121 0.125 -0.436 0.759 1.00 1.46 S ATOM 0 H CYS A 121 3.535 -0.528 -1.389 1.00 0.74 H new ATOM 0 HA CYS A 121 2.780 -1.241 1.392 1.00 0.69 H new ATOM 0 HB2 CYS A 121 1.231 -1.289 -1.164 1.00 0.88 H new ATOM 0 HB3 CYS A 121 0.952 -2.542 0.029 1.00 0.88 H new ATOM 1798 N ASN A 122 3.705 -3.610 0.907 1.00 0.53 N ATOM 1799 CA ASN A 122 4.216 -4.962 0.704 1.00 0.49 C ATOM 1800 C ASN A 122 3.216 -5.948 1.310 1.00 0.60 C ATOM 1801 O ASN A 122 2.416 -5.562 2.166 1.00 0.64 O ATOM 1802 CB ASN A 122 5.630 -5.106 1.294 1.00 0.55 C ATOM 1803 CG ASN A 122 6.401 -6.267 0.660 1.00 1.10 C ATOM 1804 OD1 ASN A 122 5.826 -7.130 -0.001 1.00 2.66 O ATOM 1805 ND2 ASN A 122 7.721 -6.283 0.784 1.00 1.36 N ATOM 0 H ASN A 122 3.585 -3.378 1.893 1.00 0.53 H new ATOM 0 HA ASN A 122 4.314 -5.180 -0.359 1.00 0.49 H new ATOM 0 HB2 ASN A 122 6.182 -4.179 1.142 1.00 0.55 H new ATOM 0 HB3 ASN A 122 5.559 -5.263 2.370 1.00 0.55 H new ATOM 0 HD21 ASN A 122 8.267 -7.015 0.329 1.00 1.36 H new ATOM 0 HD22 ASN A 122 8.190 -5.564 1.334 1.00 1.36 H new ATOM 1812 N TYR A 123 3.199 -7.185 0.815 1.00 0.73 N ATOM 1813 CA TYR A 123 2.129 -8.150 1.011 1.00 0.78 C ATOM 1814 C TYR A 123 2.732 -9.516 1.333 1.00 0.94 C ATOM 1815 O TYR A 123 3.796 -9.840 0.802 1.00 1.03 O ATOM 1816 CB TYR A 123 1.291 -8.245 -0.272 1.00 0.77 C ATOM 1817 CG TYR A 123 0.679 -6.933 -0.723 1.00 0.68 C ATOM 1818 CD1 TYR A 123 1.475 -5.974 -1.376 1.00 1.86 C ATOM 1819 CD2 TYR A 123 -0.677 -6.658 -0.477 1.00 2.06 C ATOM 1820 CE1 TYR A 123 0.937 -4.728 -1.733 1.00 1.93 C ATOM 1821 CE2 TYR A 123 -1.227 -5.430 -0.885 1.00 2.00 C ATOM 1822 CZ TYR A 123 -0.416 -4.459 -1.495 1.00 0.70 C ATOM 1823 OH TYR A 123 -0.950 -3.303 -1.974 1.00 0.74 O ATOM 0 H TYR A 123 3.961 -7.552 0.245 1.00 0.73 H new ATOM 0 HA TYR A 123 1.493 -7.832 1.837 1.00 0.78 H new ATOM 0 HB2 TYR A 123 1.920 -8.632 -1.074 1.00 0.77 H new ATOM 0 HB3 TYR A 123 0.492 -8.969 -0.116 1.00 0.77 H new ATOM 0 HD1 TYR A 123 2.507 -6.198 -1.604 1.00 1.86 H new ATOM 0 HD2 TYR A 123 -1.295 -7.388 0.024 1.00 2.06 H new ATOM 0 HE1 TYR A 123 1.565 -3.978 -2.190 1.00 1.93 H new ATOM 0 HE2 TYR A 123 -2.277 -5.233 -0.729 1.00 2.00 H new ATOM 0 HH TYR A 123 -1.898 -3.255 -1.731 1.00 0.74 H new ATOM 1833 N ASP A 124 2.049 -10.308 2.165 1.00 1.03 N ATOM 1834 CA ASP A 124 2.288 -11.742 2.299 1.00 1.09 C ATOM 1835 C ASP A 124 0.961 -12.440 1.971 1.00 0.87 C ATOM 1836 O ASP A 124 -0.100 -12.003 2.440 1.00 0.84 O ATOM 1837 CB ASP A 124 2.783 -12.166 3.703 1.00 1.44 C ATOM 1838 CG ASP A 124 4.288 -12.330 3.805 1.00 1.57 C ATOM 1839 OD1 ASP A 124 4.823 -13.242 3.141 1.00 1.75 O ATOM 1840 OD2 ASP A 124 4.914 -11.600 4.608 1.00 3.18 O ATOM 0 H ASP A 124 1.305 -9.963 2.771 1.00 1.03 H new ATOM 0 HA ASP A 124 3.090 -12.029 1.618 1.00 1.09 H new ATOM 0 HB2 ASP A 124 2.459 -11.422 4.431 1.00 1.44 H new ATOM 0 HB3 ASP A 124 2.306 -13.107 3.976 1.00 1.44 H new ATOM 1845 N PRO A 125 0.981 -13.536 1.201 1.00 0.86 N ATOM 1846 CA PRO A 125 2.053 -13.922 0.298 1.00 0.91 C ATOM 1847 C PRO A 125 2.319 -12.837 -0.753 1.00 0.98 C ATOM 1848 O PRO A 125 1.609 -11.836 -0.841 1.00 1.07 O ATOM 1849 CB PRO A 125 1.553 -15.202 -0.379 1.00 1.00 C ATOM 1850 CG PRO A 125 0.032 -15.063 -0.326 1.00 1.11 C ATOM 1851 CD PRO A 125 -0.154 -14.423 1.046 1.00 0.93 C ATOM 0 HA PRO A 125 2.992 -14.067 0.832 1.00 0.91 H new ATOM 0 HB2 PRO A 125 1.913 -15.281 -1.405 1.00 1.00 H new ATOM 0 HB3 PRO A 125 1.893 -16.094 0.148 1.00 1.00 H new ATOM 0 HG2 PRO A 125 -0.353 -14.435 -1.130 1.00 1.11 H new ATOM 0 HG3 PRO A 125 -0.473 -16.026 -0.404 1.00 1.11 H new ATOM 0 HD2 PRO A 125 -1.094 -13.875 1.102 1.00 0.93 H new ATOM 0 HD3 PRO A 125 -0.177 -15.176 1.833 1.00 0.93 H new ATOM 1859 N VAL A 126 3.343 -13.066 -1.574 1.00 1.01 N ATOM 1860 CA VAL A 126 3.582 -12.271 -2.766 1.00 0.92 C ATOM 1861 C VAL A 126 2.400 -12.419 -3.733 1.00 0.83 C ATOM 1862 O VAL A 126 1.743 -13.461 -3.756 1.00 1.01 O ATOM 1863 CB VAL A 126 4.944 -12.639 -3.383 1.00 1.10 C ATOM 1864 CG1 VAL A 126 6.071 -12.464 -2.359 1.00 1.32 C ATOM 1865 CG2 VAL A 126 4.987 -14.077 -3.913 1.00 1.31 C ATOM 0 H VAL A 126 4.027 -13.808 -1.427 1.00 1.01 H new ATOM 0 HA VAL A 126 3.642 -11.212 -2.514 1.00 0.92 H new ATOM 0 HB VAL A 126 5.085 -11.959 -4.223 1.00 1.10 H new ATOM 0 HG11 VAL A 126 7.024 -12.730 -2.817 1.00 1.32 H new ATOM 0 HG12 VAL A 126 6.104 -11.426 -2.029 1.00 1.32 H new ATOM 0 HG13 VAL A 126 5.888 -13.112 -1.502 1.00 1.32 H new ATOM 0 HG21 VAL A 126 5.971 -14.280 -4.336 1.00 1.31 H new ATOM 0 HG22 VAL A 126 4.793 -14.772 -3.096 1.00 1.31 H new ATOM 0 HG23 VAL A 126 4.227 -14.203 -4.684 1.00 1.31 H new ATOM 1875 N GLY A 127 2.128 -11.387 -4.534 1.00 0.81 N ATOM 1876 CA GLY A 127 0.962 -11.306 -5.394 1.00 0.91 C ATOM 1877 C GLY A 127 1.309 -10.431 -6.591 1.00 0.83 C ATOM 1878 O GLY A 127 2.038 -9.453 -6.464 1.00 1.38 O ATOM 0 H GLY A 127 2.732 -10.568 -4.599 1.00 0.81 H new ATOM 0 HA2 GLY A 127 0.665 -12.301 -5.725 1.00 0.91 H new ATOM 0 HA3 GLY A 127 0.117 -10.886 -4.849 1.00 0.91 H new ATOM 1882 N ASN A 128 0.743 -10.770 -7.750 1.00 0.80 N ATOM 1883 CA ASN A 128 1.213 -10.413 -9.097 1.00 0.90 C ATOM 1884 C ASN A 128 2.244 -11.444 -9.567 1.00 1.08 C ATOM 1885 O ASN A 128 2.952 -11.208 -10.550 1.00 1.32 O ATOM 1886 CB ASN A 128 1.870 -9.026 -9.214 1.00 1.11 C ATOM 1887 CG ASN A 128 1.047 -7.825 -8.793 1.00 1.55 C ATOM 1888 OD1 ASN A 128 -0.246 -7.989 -8.545 1.00 3.12 O flip ATOM 1889 ND2 ASN A 128 1.570 -6.711 -8.760 1.00 2.12 N flip ATOM 0 H ASN A 128 -0.106 -11.334 -7.780 1.00 0.80 H new ATOM 0 HA ASN A 128 0.313 -10.396 -9.712 1.00 0.90 H new ATOM 0 HB2 ASN A 128 2.782 -9.034 -8.618 1.00 1.11 H new ATOM 0 HB3 ASN A 128 2.169 -8.882 -10.252 1.00 1.11 H new ATOM 0 HD21 ASN A 128 2.566 -6.609 -8.954 1.00 2.12 H new ATOM 0 HD22 ASN A 128 1.007 -5.890 -8.538 1.00 2.12 H new ATOM 1896 N TRP A 129 2.360 -12.539 -8.819 1.00 1.07 N ATOM 1897 CA TRP A 129 3.298 -13.634 -8.976 1.00 1.26 C ATOM 1898 C TRP A 129 2.617 -14.774 -9.749 1.00 1.45 C ATOM 1899 O TRP A 129 1.442 -14.669 -10.109 1.00 1.30 O ATOM 1900 CB TRP A 129 3.789 -13.962 -7.557 1.00 1.20 C ATOM 1901 CG TRP A 129 3.913 -15.377 -7.093 1.00 1.39 C ATOM 1902 CD1 TRP A 129 3.004 -16.008 -6.319 1.00 1.66 C ATOM 1903 CD2 TRP A 129 5.027 -16.305 -7.239 1.00 1.43 C ATOM 1904 NE1 TRP A 129 3.484 -17.253 -5.963 1.00 1.81 N ATOM 1905 CE2 TRP A 129 4.725 -17.492 -6.510 1.00 1.65 C ATOM 1906 CE3 TRP A 129 6.270 -16.261 -7.906 1.00 1.43 C ATOM 1907 CZ2 TRP A 129 5.609 -18.578 -6.444 1.00 1.75 C ATOM 1908 CZ3 TRP A 129 7.158 -17.353 -7.860 1.00 1.60 C ATOM 1909 CH2 TRP A 129 6.829 -18.511 -7.134 1.00 1.71 C ATOM 0 H TRP A 129 1.744 -12.690 -8.020 1.00 1.07 H new ATOM 0 HA TRP A 129 4.177 -13.405 -9.579 1.00 1.26 H new ATOM 0 HB2 TRP A 129 4.771 -13.502 -7.445 1.00 1.20 H new ATOM 0 HB3 TRP A 129 3.119 -13.456 -6.862 1.00 1.20 H new ATOM 0 HD1 TRP A 129 2.048 -15.601 -6.024 1.00 1.66 H new ATOM 0 HE1 TRP A 129 2.982 -17.913 -5.369 1.00 1.81 H new ATOM 0 HE3 TRP A 129 6.545 -15.376 -8.460 1.00 1.43 H new ATOM 0 HZ2 TRP A 129 5.354 -19.456 -5.869 1.00 1.75 H new ATOM 0 HZ3 TRP A 129 8.099 -17.300 -8.387 1.00 1.60 H new ATOM 0 HH2 TRP A 129 7.513 -19.346 -7.107 1.00 1.71 H new ATOM 1920 N ILE A 130 3.344 -15.851 -10.039 1.00 2.06 N ATOM 1921 CA ILE A 130 2.813 -17.046 -10.688 1.00 2.32 C ATOM 1922 C ILE A 130 1.993 -17.898 -9.708 1.00 2.33 C ATOM 1923 O ILE A 130 2.067 -17.701 -8.503 1.00 2.48 O ATOM 1924 CB ILE A 130 3.974 -17.811 -11.373 1.00 3.03 C ATOM 1925 CG1 ILE A 130 3.647 -18.067 -12.854 1.00 3.34 C ATOM 1926 CG2 ILE A 130 4.424 -19.073 -10.620 1.00 3.54 C ATOM 1927 CD1 ILE A 130 4.813 -18.690 -13.624 1.00 4.34 C ATOM 0 H ILE A 130 4.339 -15.918 -9.825 1.00 2.06 H new ATOM 0 HA ILE A 130 2.107 -16.766 -11.470 1.00 2.32 H new ATOM 0 HB ILE A 130 4.850 -17.164 -11.332 1.00 3.03 H new ATOM 0 HG12 ILE A 130 2.781 -18.726 -12.921 1.00 3.34 H new ATOM 0 HG13 ILE A 130 3.368 -17.125 -13.327 1.00 3.34 H new ATOM 0 HG21 ILE A 130 5.239 -19.550 -11.164 1.00 3.54 H new ATOM 0 HG22 ILE A 130 4.766 -18.799 -9.622 1.00 3.54 H new ATOM 0 HG23 ILE A 130 3.587 -19.766 -10.539 1.00 3.54 H new ATOM 0 HD11 ILE A 130 4.521 -18.847 -14.662 1.00 4.34 H new ATOM 0 HD12 ILE A 130 5.673 -18.021 -13.586 1.00 4.34 H new ATOM 0 HD13 ILE A 130 5.077 -19.647 -13.173 1.00 4.34 H new ATOM 1939 N GLY A 131 1.227 -18.862 -10.221 1.00 2.47 N ATOM 1940 CA GLY A 131 0.638 -19.932 -9.419 1.00 2.76 C ATOM 1941 C GLY A 131 -0.240 -19.448 -8.261 1.00 2.73 C ATOM 1942 O GLY A 131 -0.348 -20.122 -7.236 1.00 3.71 O ATOM 0 H GLY A 131 0.997 -18.921 -11.213 1.00 2.47 H new ATOM 0 HA2 GLY A 131 0.040 -20.570 -10.070 1.00 2.76 H new ATOM 0 HA3 GLY A 131 1.440 -20.551 -9.016 1.00 2.76 H new ATOM 1946 N GLN A 132 -0.905 -18.309 -8.433 1.00 1.94 N ATOM 1947 CA GLN A 132 -1.920 -17.788 -7.535 1.00 1.86 C ATOM 1948 C GLN A 132 -2.934 -17.067 -8.419 1.00 1.60 C ATOM 1949 O GLN A 132 -2.641 -16.813 -9.590 1.00 2.04 O ATOM 1950 CB GLN A 132 -1.295 -16.828 -6.520 1.00 1.82 C ATOM 1951 CG GLN A 132 -0.478 -17.526 -5.426 1.00 2.10 C ATOM 1952 CD GLN A 132 0.038 -16.501 -4.424 1.00 2.19 C ATOM 1953 OE1 GLN A 132 -0.556 -15.446 -4.255 1.00 3.03 O ATOM 1954 NE2 GLN A 132 1.156 -16.759 -3.768 1.00 2.39 N ATOM 0 H GLN A 132 -0.741 -17.702 -9.236 1.00 1.94 H new ATOM 0 HA GLN A 132 -2.396 -18.583 -6.961 1.00 1.86 H new ATOM 0 HB2 GLN A 132 -0.651 -16.125 -7.048 1.00 1.82 H new ATOM 0 HB3 GLN A 132 -2.087 -16.244 -6.051 1.00 1.82 H new ATOM 0 HG2 GLN A 132 -1.095 -18.266 -4.916 1.00 2.10 H new ATOM 0 HG3 GLN A 132 0.359 -18.063 -5.873 1.00 2.10 H new ATOM 0 HE21 GLN A 132 1.643 -17.643 -3.917 1.00 2.39 H new ATOM 0 HE22 GLN A 132 1.532 -16.074 -3.112 1.00 2.39 H new ATOM 1963 N ARG A 133 -4.110 -16.746 -7.886 1.00 1.85 N ATOM 1964 CA ARG A 133 -5.217 -16.178 -8.643 1.00 1.59 C ATOM 1965 C ARG A 133 -5.522 -14.777 -8.108 1.00 1.17 C ATOM 1966 O ARG A 133 -5.506 -14.587 -6.890 1.00 1.24 O ATOM 1967 CB ARG A 133 -6.426 -17.108 -8.494 1.00 1.85 C ATOM 1968 CG ARG A 133 -7.553 -16.747 -9.455 1.00 2.43 C ATOM 1969 CD ARG A 133 -8.697 -17.754 -9.343 1.00 3.04 C ATOM 1970 NE ARG A 133 -9.924 -17.124 -9.834 1.00 3.94 N ATOM 1971 CZ ARG A 133 -10.495 -17.310 -11.024 1.00 4.45 C ATOM 1972 NH1 ARG A 133 -10.472 -18.503 -11.612 1.00 4.49 N ATOM 1973 NH2 ARG A 133 -11.060 -16.275 -11.627 1.00 5.71 N ATOM 0 H ARG A 133 -4.322 -16.877 -6.897 1.00 1.85 H new ATOM 0 HA ARG A 133 -4.968 -16.089 -9.700 1.00 1.59 H new ATOM 0 HB2 ARG A 133 -6.115 -18.137 -8.672 1.00 1.85 H new ATOM 0 HB3 ARG A 133 -6.795 -17.060 -7.470 1.00 1.85 H new ATOM 0 HG2 ARG A 133 -7.920 -15.745 -9.234 1.00 2.43 H new ATOM 0 HG3 ARG A 133 -7.175 -16.729 -10.477 1.00 2.43 H new ATOM 0 HD2 ARG A 133 -8.472 -18.648 -9.924 1.00 3.04 H new ATOM 0 HD3 ARG A 133 -8.822 -18.070 -8.307 1.00 3.04 H new ATOM 0 HE ARG A 133 -10.390 -16.475 -9.200 1.00 3.94 H new ATOM 0 HH11 ARG A 133 -10.013 -19.290 -11.152 1.00 4.49 H new ATOM 0 HH12 ARG A 133 -10.913 -18.631 -12.523 1.00 4.49 H new ATOM 0 HH21 ARG A 133 -11.052 -15.358 -11.180 1.00 5.71 H new ATOM 0 HH22 ARG A 133 -11.503 -16.395 -12.538 1.00 5.71 H new ATOM 1987 N PRO A 134 -5.798 -13.790 -8.977 1.00 0.93 N ATOM 1988 CA PRO A 134 -6.144 -12.459 -8.528 1.00 0.67 C ATOM 1989 C PRO A 134 -7.534 -12.440 -7.886 1.00 0.64 C ATOM 1990 O PRO A 134 -7.696 -11.843 -6.828 1.00 0.79 O ATOM 1991 CB PRO A 134 -6.041 -11.562 -9.760 1.00 0.76 C ATOM 1992 CG PRO A 134 -6.338 -12.513 -10.918 1.00 1.06 C ATOM 1993 CD PRO A 134 -5.743 -13.837 -10.432 1.00 1.13 C ATOM 0 HA PRO A 134 -5.472 -12.101 -7.748 1.00 0.67 H new ATOM 0 HB2 PRO A 134 -6.757 -10.742 -9.720 1.00 0.76 H new ATOM 0 HB3 PRO A 134 -5.050 -11.116 -9.850 1.00 0.76 H new ATOM 0 HG2 PRO A 134 -7.408 -12.596 -11.108 1.00 1.06 H new ATOM 0 HG3 PRO A 134 -5.874 -12.178 -11.846 1.00 1.06 H new ATOM 0 HD2 PRO A 134 -6.310 -14.685 -10.817 1.00 1.13 H new ATOM 0 HD3 PRO A 134 -4.717 -13.955 -10.780 1.00 1.13 H new ATOM 2001 N TYR A 135 -8.533 -13.074 -8.500 1.00 0.74 N ATOM 2002 CA TYR A 135 -9.903 -13.117 -8.017 1.00 0.74 C ATOM 2003 C TYR A 135 -10.606 -14.226 -8.787 1.00 0.90 C ATOM 2004 O TYR A 135 -10.195 -14.397 -9.956 1.00 1.63 O ATOM 2005 CB TYR A 135 -10.624 -11.776 -8.222 1.00 0.62 C ATOM 2006 CG TYR A 135 -10.730 -11.301 -9.659 1.00 0.63 C ATOM 2007 CD1 TYR A 135 -11.836 -11.658 -10.452 1.00 2.15 C ATOM 2008 CD2 TYR A 135 -9.735 -10.468 -10.197 1.00 1.66 C ATOM 2009 CE1 TYR A 135 -11.963 -11.149 -11.755 1.00 2.26 C ATOM 2010 CE2 TYR A 135 -9.851 -9.981 -11.506 1.00 1.73 C ATOM 2011 CZ TYR A 135 -10.968 -10.314 -12.284 1.00 1.06 C ATOM 2012 OH TYR A 135 -11.088 -9.824 -13.549 1.00 1.38 O ATOM 2013 OXT TYR A 135 -10.983 -15.208 -8.113 1.00 1.83 O ATOM 0 H TYR A 135 -8.402 -13.585 -9.373 1.00 0.74 H new ATOM 0 HA TYR A 135 -9.916 -13.309 -6.944 1.00 0.74 H new ATOM 0 HB2 TYR A 135 -11.630 -11.858 -7.810 1.00 0.62 H new ATOM 0 HB3 TYR A 135 -10.104 -11.012 -7.643 1.00 0.62 H new ATOM 0 HD1 TYR A 135 -12.589 -12.325 -10.058 1.00 2.15 H new ATOM 0 HD2 TYR A 135 -8.876 -10.201 -9.599 1.00 1.66 H new ATOM 0 HE1 TYR A 135 -12.828 -11.401 -12.350 1.00 2.26 H new ATOM 0 HE2 TYR A 135 -9.078 -9.348 -11.916 1.00 1.73 H new ATOM 0 HH TYR A 135 -10.312 -9.262 -13.757 1.00 1.38 H new TER 2023 TYR A 135