USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 899 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 101 ASN : amide:sc= -0.0723 K(o=-0.97,f=-1.6) USER MOD Set 1.2: A 132 GLN : amide:sc= -0.895 K(o=-0.97,f=-3.7) USER MOD Set 2.1: A 95 THR OG1 : rot 89:sc= 0.95 USER MOD Set 2.2: A 128 ASN : amide:sc= 0.933 K(o=1.9,f=-1.2) USER MOD Set 3.1: A 78 TYR OH : rot 141:sc= -0.278 USER MOD Set 3.2: A 94 TYR OH : rot -79:sc= 0.705 USER MOD Set 4.1: A 11 HIS : +bothHN:sc= 2.26 K(o=4.8,f=-8.7!) USER MOD Set 4.2: A 54 ASN : amide:sc= 0.876 K(o=4.8,f=-0.13!) USER MOD Set 4.3: A 123 TYR OH : rot -42:sc= 1.66 USER MOD Set 5.1: A 1 GLN N :NH3+ -174:sc= 0.778 (180deg=0.45) USER MOD Set 5.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLN : amide:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 2 ASN : amide:sc= -0.769! C(o=-0.77!,f=-5.5!) USER MOD Single : A 5 GLN : amide:sc= -0.215 K(o=-0.21,f=-1.6!) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.0336 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.441 F(o=-0.98!,f=-0.44) USER MOD Single : A 17 GLN : amide:sc= 1.12 K(o=1.1,f=-4.4!) USER MOD Single : A 23 MET CE :methyl 175:sc=-0.00451 (180deg=-0.0623) USER MOD Single : A 24 SER OG : rot 180:sc= -0.184 USER MOD Single : A 28 ASN : amide:sc= -0.0601 K(o=-0.06,f=-1.6!) USER MOD Single : A 31 SER OG : rot -53:sc= 1.06 USER MOD Single : A 34 GLN : amide:sc= -0.32 K(o=-0.32,f=-9.1!) USER MOD Single : A 35 ASN : amide:sc= 0.0823 X(o=0.082,f=0) USER MOD Single : A 36 TYR OH : rot 125:sc= 1.17 USER MOD Single : A 38 ASN : amide:sc=-0.00973 X(o=-0.0097,f=-0.34) USER MOD Single : A 39 SER OG : rot -21:sc= 0.686 USER MOD Single : A 45 ASN : amide:sc= -0.443 X(o=-0.44,f=-0.028) USER MOD Single : A 57 LYS NZ :NH3+ 175:sc= 1.25 (180deg=1.2) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 69 GLN : amide:sc= -0.33 X(o=-0.33,f=0) USER MOD Single : A 73 SER OG : rot -64:sc= 1.02 USER MOD Single : A 77 SER OG : rot 143:sc= 1.37 USER MOD Single : A 79 ASN : amide:sc= 0.929 K(o=0.93,f=-0.051) USER MOD Single : A 80 TYR OH : rot 143:sc= 1.29 USER MOD Single : A 82 THR OG1 : rot 158:sc= 0.963 USER MOD Single : A 83 ASN : amide:sc= 0.224 K(o=0.22,f=-6.1!) USER MOD Single : A 84 GLN : amide:sc=-0.000224 X(o=-0.00022,f=0) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= 0.222 X(o=0.22,f=-0.24) USER MOD Single : A 102 SER OG : rot 91:sc= 0.706 USER MOD Single : A 120 SER OG : rot 122:sc= -0.318 USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 135 TYR OH : rot 173:sc= 1.67 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -5.027 9.045 6.957 1.00 2.10 N ATOM 2 CA GLN A 1 -4.950 9.023 5.488 1.00 1.36 C ATOM 3 C GLN A 1 -3.741 8.197 5.027 1.00 1.21 C ATOM 4 O GLN A 1 -3.636 7.868 3.850 1.00 1.21 O ATOM 5 CB GLN A 1 -4.961 10.406 4.841 1.00 1.50 C ATOM 6 CG GLN A 1 -5.986 11.365 5.452 1.00 2.47 C ATOM 7 CD GLN A 1 -5.870 12.752 4.832 1.00 3.10 C ATOM 8 OE1 GLN A 1 -5.574 13.711 5.534 1.00 4.11 O ATOM 9 NE2 GLN A 1 -6.043 12.882 3.526 1.00 3.31 N ATOM 0 H1 GLN A 1 -5.904 9.520 7.252 1.00 2.10 H new ATOM 0 H2 GLN A 1 -5.023 8.070 7.319 1.00 2.10 H new ATOM 0 H3 GLN A 1 -4.209 9.560 7.340 1.00 2.10 H new ATOM 0 HA GLN A 1 -5.865 8.542 5.143 1.00 1.36 H new ATOM 0 HB2 GLN A 1 -3.968 10.846 4.929 1.00 1.50 H new ATOM 0 HB3 GLN A 1 -5.168 10.297 3.776 1.00 1.50 H new ATOM 0 HG2 GLN A 1 -6.992 10.976 5.296 1.00 2.47 H new ATOM 0 HG3 GLN A 1 -5.832 11.430 6.529 1.00 2.47 H new ATOM 0 HE21 GLN A 1 -6.289 12.069 2.961 1.00 3.31 H new ATOM 0 HE22 GLN A 1 -5.930 13.795 3.085 1.00 3.31 H new ATOM 20 N ASN A 2 -2.810 7.872 5.931 1.00 1.53 N ATOM 21 CA ASN A 2 -1.760 6.880 5.726 1.00 1.68 C ATOM 22 C ASN A 2 -1.795 5.881 6.887 1.00 1.55 C ATOM 23 O ASN A 2 -0.763 5.321 7.260 1.00 2.59 O ATOM 24 CB ASN A 2 -0.387 7.547 5.661 1.00 2.39 C ATOM 25 CG ASN A 2 -0.282 8.720 4.700 1.00 2.84 C ATOM 26 OD1 ASN A 2 0.276 8.606 3.617 1.00 4.37 O ATOM 27 ND2 ASN A 2 -0.760 9.892 5.089 1.00 2.43 N ATOM 0 H ASN A 2 -2.769 8.308 6.852 1.00 1.53 H new ATOM 0 HA ASN A 2 -1.933 6.367 4.780 1.00 1.68 H new ATOM 0 HB2 ASN A 2 -0.121 7.892 6.660 1.00 2.39 H new ATOM 0 HB3 ASN A 2 0.350 6.797 5.375 1.00 2.39 H new ATOM 0 HD21 ASN A 2 -0.664 10.708 4.484 1.00 2.43 H new ATOM 0 HD22 ASN A 2 -1.224 9.979 5.993 1.00 2.43 H new ATOM 34 N SER A 3 -2.963 5.721 7.507 1.00 0.96 N ATOM 35 CA SER A 3 -3.218 4.863 8.650 1.00 0.78 C ATOM 36 C SER A 3 -3.417 3.432 8.131 1.00 0.76 C ATOM 37 O SER A 3 -3.749 3.262 6.959 1.00 1.03 O ATOM 38 CB SER A 3 -4.467 5.422 9.354 1.00 0.96 C ATOM 39 OG SER A 3 -4.365 6.834 9.507 1.00 1.76 O ATOM 0 H SER A 3 -3.801 6.217 7.203 1.00 0.96 H new ATOM 0 HA SER A 3 -2.397 4.839 9.366 1.00 0.78 H new ATOM 0 HB2 SER A 3 -5.358 5.177 8.776 1.00 0.96 H new ATOM 0 HB3 SER A 3 -4.582 4.952 10.331 1.00 0.96 H new ATOM 0 HG SER A 3 -5.168 7.173 9.955 1.00 1.76 H new ATOM 45 N PRO A 4 -3.249 2.385 8.951 1.00 0.70 N ATOM 46 CA PRO A 4 -3.314 1.017 8.455 1.00 0.73 C ATOM 47 C PRO A 4 -4.686 0.745 7.843 1.00 0.59 C ATOM 48 O PRO A 4 -4.814 0.243 6.730 1.00 0.59 O ATOM 49 CB PRO A 4 -3.032 0.132 9.670 1.00 0.91 C ATOM 50 CG PRO A 4 -3.408 0.996 10.869 1.00 1.00 C ATOM 51 CD PRO A 4 -3.061 2.409 10.393 1.00 0.85 C ATOM 0 HA PRO A 4 -2.591 0.820 7.663 1.00 0.73 H new ATOM 0 HB2 PRO A 4 -3.623 -0.783 9.640 1.00 0.91 H new ATOM 0 HB3 PRO A 4 -1.984 -0.166 9.709 1.00 0.91 H new ATOM 0 HG2 PRO A 4 -4.465 0.902 11.119 1.00 1.00 H new ATOM 0 HG3 PRO A 4 -2.843 0.719 11.759 1.00 1.00 H new ATOM 0 HD2 PRO A 4 -3.707 3.152 10.862 1.00 0.85 H new ATOM 0 HD3 PRO A 4 -2.035 2.670 10.652 1.00 0.85 H new ATOM 59 N GLN A 5 -5.729 1.121 8.579 1.00 0.55 N ATOM 60 CA GLN A 5 -7.105 1.021 8.136 1.00 0.52 C ATOM 61 C GLN A 5 -7.402 1.834 6.880 1.00 0.45 C ATOM 62 O GLN A 5 -8.405 1.552 6.241 1.00 0.60 O ATOM 63 CB GLN A 5 -8.026 1.460 9.268 1.00 0.61 C ATOM 64 CG GLN A 5 -7.803 2.934 9.645 1.00 1.85 C ATOM 65 CD GLN A 5 -7.746 3.153 11.149 1.00 2.75 C ATOM 66 OE1 GLN A 5 -7.361 2.258 11.900 1.00 3.23 O ATOM 67 NE2 GLN A 5 -8.095 4.348 11.594 1.00 3.90 N ATOM 0 H GLN A 5 -5.633 1.510 9.517 1.00 0.55 H new ATOM 0 HA GLN A 5 -7.281 -0.022 7.872 1.00 0.52 H new ATOM 0 HB2 GLN A 5 -9.064 1.314 8.970 1.00 0.61 H new ATOM 0 HB3 GLN A 5 -7.854 0.831 10.142 1.00 0.61 H new ATOM 0 HG2 GLN A 5 -6.873 3.283 9.196 1.00 1.85 H new ATOM 0 HG3 GLN A 5 -8.607 3.538 9.224 1.00 1.85 H new ATOM 0 HE21 GLN A 5 -8.409 5.064 10.939 1.00 3.90 H new ATOM 0 HE22 GLN A 5 -8.050 4.554 12.592 1.00 3.90 H new ATOM 76 N ASP A 6 -6.604 2.846 6.527 1.00 0.41 N ATOM 77 CA ASP A 6 -6.836 3.550 5.270 1.00 0.48 C ATOM 78 C ASP A 6 -6.575 2.558 4.152 1.00 0.49 C ATOM 79 O ASP A 6 -7.449 2.269 3.335 1.00 0.65 O ATOM 80 CB ASP A 6 -5.925 4.773 5.083 1.00 0.71 C ATOM 81 CG ASP A 6 -6.319 5.958 5.927 1.00 0.97 C ATOM 82 OD1 ASP A 6 -7.475 6.411 5.817 1.00 1.75 O ATOM 83 OD2 ASP A 6 -5.442 6.490 6.636 1.00 2.08 O ATOM 0 H ASP A 6 -5.815 3.186 7.077 1.00 0.41 H new ATOM 0 HA ASP A 6 -7.859 3.927 5.267 1.00 0.48 H new ATOM 0 HB2 ASP A 6 -4.900 4.491 5.324 1.00 0.71 H new ATOM 0 HB3 ASP A 6 -5.936 5.066 4.033 1.00 0.71 H new ATOM 88 N TYR A 7 -5.357 2.018 4.138 1.00 0.42 N ATOM 89 CA TYR A 7 -4.970 1.033 3.153 1.00 0.46 C ATOM 90 C TYR A 7 -5.946 -0.136 3.196 1.00 0.45 C ATOM 91 O TYR A 7 -6.575 -0.454 2.186 1.00 0.48 O ATOM 92 CB TYR A 7 -3.526 0.582 3.388 1.00 0.48 C ATOM 93 CG TYR A 7 -2.504 1.674 3.155 1.00 0.57 C ATOM 94 CD1 TYR A 7 -2.050 1.948 1.853 1.00 1.89 C ATOM 95 CD2 TYR A 7 -1.982 2.399 4.238 1.00 2.02 C ATOM 96 CE1 TYR A 7 -1.130 2.983 1.624 1.00 2.16 C ATOM 97 CE2 TYR A 7 -0.987 3.362 4.019 1.00 2.15 C ATOM 98 CZ TYR A 7 -0.517 3.608 2.723 1.00 1.38 C ATOM 99 OH TYR A 7 0.537 4.451 2.556 1.00 1.88 O ATOM 0 H TYR A 7 -4.623 2.254 4.806 1.00 0.42 H new ATOM 0 HA TYR A 7 -5.010 1.473 2.156 1.00 0.46 H new ATOM 0 HB2 TYR A 7 -3.430 0.218 4.411 1.00 0.48 H new ATOM 0 HB3 TYR A 7 -3.305 -0.258 2.729 1.00 0.48 H new ATOM 0 HD1 TYR A 7 -2.411 1.358 1.024 1.00 1.89 H new ATOM 0 HD2 TYR A 7 -2.346 2.215 5.238 1.00 2.02 H new ATOM 0 HE1 TYR A 7 -0.896 3.295 0.617 1.00 2.16 H new ATOM 0 HE2 TYR A 7 -0.582 3.916 4.853 1.00 2.15 H new ATOM 0 HH TYR A 7 0.828 4.788 3.429 1.00 1.88 H new ATOM 109 N LEU A 8 -6.087 -0.770 4.359 1.00 0.43 N ATOM 110 CA LEU A 8 -6.966 -1.917 4.506 1.00 0.40 C ATOM 111 C LEU A 8 -8.389 -1.592 4.050 1.00 0.37 C ATOM 112 O LEU A 8 -8.994 -2.437 3.399 1.00 0.42 O ATOM 113 CB LEU A 8 -6.936 -2.473 5.936 1.00 0.44 C ATOM 114 CG LEU A 8 -5.916 -3.607 6.114 1.00 0.59 C ATOM 115 CD1 LEU A 8 -5.706 -3.856 7.604 1.00 0.53 C ATOM 116 CD2 LEU A 8 -6.376 -4.939 5.507 1.00 0.81 C ATOM 0 H LEU A 8 -5.599 -0.503 5.214 1.00 0.43 H new ATOM 0 HA LEU A 8 -6.590 -2.703 3.852 1.00 0.40 H new ATOM 0 HB2 LEU A 8 -6.699 -1.666 6.629 1.00 0.44 H new ATOM 0 HB3 LEU A 8 -7.928 -2.839 6.199 1.00 0.44 H new ATOM 0 HG LEU A 8 -5.009 -3.285 5.603 1.00 0.59 H new ATOM 0 HD11 LEU A 8 -4.983 -4.660 7.740 1.00 0.53 H new ATOM 0 HD12 LEU A 8 -5.331 -2.947 8.075 1.00 0.53 H new ATOM 0 HD13 LEU A 8 -6.654 -4.139 8.063 1.00 0.53 H new ATOM 0 HD21 LEU A 8 -5.609 -5.696 5.668 1.00 0.81 H new ATOM 0 HD22 LEU A 8 -7.304 -5.255 5.984 1.00 0.81 H new ATOM 0 HD23 LEU A 8 -6.543 -4.813 4.437 1.00 0.81 H new ATOM 128 N ALA A 9 -8.933 -0.412 4.355 1.00 0.34 N ATOM 129 CA ALA A 9 -10.270 -0.017 3.924 1.00 0.33 C ATOM 130 C ALA A 9 -10.357 -0.027 2.401 1.00 0.26 C ATOM 131 O ALA A 9 -11.124 -0.799 1.830 1.00 0.31 O ATOM 132 CB ALA A 9 -10.647 1.354 4.498 1.00 0.40 C ATOM 0 H ALA A 9 -8.454 0.297 4.910 1.00 0.34 H new ATOM 0 HA ALA A 9 -10.989 -0.740 4.309 1.00 0.33 H new ATOM 0 HB1 ALA A 9 -11.648 1.626 4.162 1.00 0.40 H new ATOM 0 HB2 ALA A 9 -10.629 1.310 5.587 1.00 0.40 H new ATOM 0 HB3 ALA A 9 -9.933 2.102 4.153 1.00 0.40 H new ATOM 138 N VAL A 10 -9.538 0.777 1.723 1.00 0.26 N ATOM 139 CA VAL A 10 -9.591 0.842 0.267 1.00 0.25 C ATOM 140 C VAL A 10 -9.421 -0.564 -0.324 1.00 0.25 C ATOM 141 O VAL A 10 -10.137 -0.944 -1.255 1.00 0.28 O ATOM 142 CB VAL A 10 -8.536 1.823 -0.274 1.00 0.29 C ATOM 143 CG1 VAL A 10 -8.656 1.917 -1.801 1.00 0.37 C ATOM 144 CG2 VAL A 10 -8.695 3.234 0.308 1.00 0.32 C ATOM 0 H VAL A 10 -8.840 1.384 2.153 1.00 0.26 H new ATOM 0 HA VAL A 10 -10.566 1.221 -0.039 1.00 0.25 H new ATOM 0 HB VAL A 10 -7.561 1.437 0.023 1.00 0.29 H new ATOM 0 HG11 VAL A 10 -7.908 2.612 -2.183 1.00 0.37 H new ATOM 0 HG12 VAL A 10 -8.494 0.933 -2.240 1.00 0.37 H new ATOM 0 HG13 VAL A 10 -9.651 2.273 -2.067 1.00 0.37 H new ATOM 0 HG21 VAL A 10 -7.927 3.887 -0.106 1.00 0.32 H new ATOM 0 HG22 VAL A 10 -9.680 3.625 0.051 1.00 0.32 H new ATOM 0 HG23 VAL A 10 -8.592 3.194 1.392 1.00 0.32 H new ATOM 154 N HIS A 11 -8.485 -1.351 0.211 1.00 0.26 N ATOM 155 CA HIS A 11 -8.312 -2.720 -0.242 1.00 0.29 C ATOM 156 C HIS A 11 -9.575 -3.551 0.030 1.00 0.32 C ATOM 157 O HIS A 11 -9.984 -4.319 -0.828 1.00 0.37 O ATOM 158 CB HIS A 11 -7.063 -3.366 0.371 1.00 0.29 C ATOM 159 CG HIS A 11 -5.742 -2.836 -0.128 1.00 0.33 C ATOM 160 ND1 HIS A 11 -5.191 -1.607 0.142 1.00 0.34 N ATOM 161 CD2 HIS A 11 -4.797 -3.561 -0.803 1.00 0.34 C ATOM 162 CE1 HIS A 11 -3.951 -1.589 -0.371 1.00 0.41 C ATOM 163 NE2 HIS A 11 -3.671 -2.751 -0.977 1.00 0.40 N ATOM 0 H HIS A 11 -7.845 -1.062 0.950 1.00 0.26 H new ATOM 0 HA HIS A 11 -8.158 -2.696 -1.321 1.00 0.29 H new ATOM 0 HB2 HIS A 11 -7.102 -3.234 1.452 1.00 0.29 H new ATOM 0 HB3 HIS A 11 -7.099 -4.438 0.179 1.00 0.29 H new ATOM 0 HD1 HIS A 11 -5.644 -0.843 0.644 1.00 0.34 H new ATOM 0 HD2 HIS A 11 -4.903 -4.581 -1.142 1.00 0.34 H new ATOM 0 HE1 HIS A 11 -3.271 -0.752 -0.305 1.00 0.41 H new ATOM 0 HE2 HIS A 11 -2.810 -2.995 -1.466 1.00 0.40 H new ATOM 171 N ASN A 12 -10.202 -3.432 1.203 1.00 0.38 N ATOM 172 CA ASN A 12 -11.456 -4.127 1.520 1.00 0.47 C ATOM 173 C ASN A 12 -12.491 -3.824 0.459 1.00 0.38 C ATOM 174 O ASN A 12 -13.167 -4.741 -0.001 1.00 0.39 O ATOM 175 CB ASN A 12 -12.052 -3.713 2.880 1.00 0.83 C ATOM 176 CG ASN A 12 -11.685 -4.639 4.023 1.00 1.28 C ATOM 177 OD1 ASN A 12 -10.486 -4.506 4.569 1.00 2.61 O flip ATOM 178 ND2 ASN A 12 -12.471 -5.489 4.424 1.00 0.78 N flip ATOM 0 H ASN A 12 -9.854 -2.849 1.964 1.00 0.38 H new ATOM 0 HA ASN A 12 -11.212 -5.189 1.559 1.00 0.47 H new ATOM 0 HB2 ASN A 12 -11.715 -2.705 3.121 1.00 0.83 H new ATOM 0 HB3 ASN A 12 -13.138 -3.674 2.792 1.00 0.83 H new ATOM 0 HD21 ASN A 12 -13.391 -5.578 3.992 1.00 0.78 H new ATOM 0 HD22 ASN A 12 -12.206 -6.108 5.190 1.00 0.78 H new ATOM 185 N ASP A 13 -12.618 -2.553 0.087 1.00 0.42 N ATOM 186 CA ASP A 13 -13.544 -2.124 -0.942 1.00 0.45 C ATOM 187 C ASP A 13 -13.258 -2.794 -2.273 1.00 0.40 C ATOM 188 O ASP A 13 -14.099 -3.508 -2.810 1.00 0.47 O ATOM 189 CB ASP A 13 -13.591 -0.596 -1.049 1.00 0.55 C ATOM 190 CG ASP A 13 -15.027 -0.138 -1.193 1.00 0.77 C ATOM 191 OD1 ASP A 13 -15.502 -0.141 -2.344 1.00 1.83 O ATOM 192 OD2 ASP A 13 -15.656 0.202 -0.167 1.00 1.72 O ATOM 0 H ASP A 13 -12.076 -1.792 0.497 1.00 0.42 H new ATOM 0 HA ASP A 13 -14.541 -2.449 -0.645 1.00 0.45 H new ATOM 0 HB2 ASP A 13 -13.143 -0.146 -0.163 1.00 0.55 H new ATOM 0 HB3 ASP A 13 -13.006 -0.264 -1.906 1.00 0.55 H new ATOM 197 N ALA A 14 -12.053 -2.587 -2.799 1.00 0.34 N ATOM 198 CA ALA A 14 -11.614 -3.182 -4.057 1.00 0.36 C ATOM 199 C ALA A 14 -11.854 -4.692 -4.057 1.00 0.37 C ATOM 200 O ALA A 14 -12.400 -5.234 -5.013 1.00 0.52 O ATOM 201 CB ALA A 14 -10.133 -2.863 -4.262 1.00 0.41 C ATOM 0 H ALA A 14 -11.348 -1.996 -2.359 1.00 0.34 H new ATOM 0 HA ALA A 14 -12.192 -2.762 -4.880 1.00 0.36 H new ATOM 0 HB1 ALA A 14 -9.793 -3.303 -5.200 1.00 0.41 H new ATOM 0 HB2 ALA A 14 -9.995 -1.782 -4.297 1.00 0.41 H new ATOM 0 HB3 ALA A 14 -9.554 -3.276 -3.436 1.00 0.41 H new ATOM 207 N ARG A 15 -11.471 -5.367 -2.977 1.00 0.30 N ATOM 208 CA ARG A 15 -11.714 -6.788 -2.813 1.00 0.33 C ATOM 209 C ARG A 15 -13.215 -7.081 -2.814 1.00 0.40 C ATOM 210 O ARG A 15 -13.658 -7.988 -3.512 1.00 0.48 O ATOM 211 CB ARG A 15 -11.006 -7.300 -1.553 1.00 0.32 C ATOM 212 CG ARG A 15 -9.477 -7.297 -1.742 1.00 0.45 C ATOM 213 CD ARG A 15 -8.711 -7.888 -0.549 1.00 0.75 C ATOM 214 NE ARG A 15 -9.429 -7.722 0.720 1.00 2.43 N ATOM 215 CZ ARG A 15 -9.183 -6.856 1.706 1.00 3.73 C ATOM 216 NH1 ARG A 15 -8.135 -6.038 1.658 1.00 3.68 N ATOM 217 NH2 ARG A 15 -10.008 -6.831 2.748 1.00 5.65 N ATOM 0 H ARG A 15 -10.982 -4.938 -2.191 1.00 0.30 H new ATOM 0 HA ARG A 15 -11.293 -7.331 -3.659 1.00 0.33 H new ATOM 0 HB2 ARG A 15 -11.272 -6.674 -0.701 1.00 0.32 H new ATOM 0 HB3 ARG A 15 -11.346 -8.310 -1.325 1.00 0.32 H new ATOM 0 HG2 ARG A 15 -9.229 -7.863 -2.640 1.00 0.45 H new ATOM 0 HG3 ARG A 15 -9.141 -6.273 -1.908 1.00 0.45 H new ATOM 0 HD2 ARG A 15 -8.533 -8.949 -0.726 1.00 0.75 H new ATOM 0 HD3 ARG A 15 -7.735 -7.409 -0.475 1.00 0.75 H new ATOM 0 HE ARG A 15 -10.219 -8.350 0.868 1.00 2.43 H new ATOM 0 HH11 ARG A 15 -7.503 -6.066 0.858 1.00 3.68 H new ATOM 0 HH12 ARG A 15 -7.964 -5.383 2.421 1.00 3.68 H new ATOM 0 HH21 ARG A 15 -10.807 -7.464 2.781 1.00 5.65 H new ATOM 0 HH22 ARG A 15 -9.842 -6.179 3.514 1.00 5.65 H new ATOM 231 N ALA A 16 -14.013 -6.305 -2.077 1.00 0.44 N ATOM 232 CA ALA A 16 -15.464 -6.445 -2.061 1.00 0.55 C ATOM 233 C ALA A 16 -16.013 -6.376 -3.482 1.00 0.61 C ATOM 234 O ALA A 16 -16.897 -7.151 -3.827 1.00 0.70 O ATOM 235 CB ALA A 16 -16.139 -5.383 -1.181 1.00 0.66 C ATOM 0 H ALA A 16 -13.666 -5.560 -1.473 1.00 0.44 H new ATOM 0 HA ALA A 16 -15.693 -7.419 -1.629 1.00 0.55 H new ATOM 0 HB1 ALA A 16 -17.219 -5.527 -1.200 1.00 0.66 H new ATOM 0 HB2 ALA A 16 -15.779 -5.477 -0.157 1.00 0.66 H new ATOM 0 HB3 ALA A 16 -15.899 -4.390 -1.561 1.00 0.66 H new ATOM 241 N GLN A 17 -15.470 -5.491 -4.321 1.00 0.63 N ATOM 242 CA GLN A 17 -15.918 -5.337 -5.699 1.00 0.76 C ATOM 243 C GLN A 17 -15.891 -6.676 -6.459 1.00 0.74 C ATOM 244 O GLN A 17 -16.698 -6.878 -7.366 1.00 1.00 O ATOM 245 CB GLN A 17 -15.109 -4.248 -6.426 1.00 0.94 C ATOM 246 CG GLN A 17 -15.121 -2.851 -5.790 1.00 1.20 C ATOM 247 CD GLN A 17 -16.454 -2.445 -5.171 1.00 1.58 C ATOM 248 OE1 GLN A 17 -17.323 -1.910 -5.854 1.00 2.51 O ATOM 249 NE2 GLN A 17 -16.623 -2.653 -3.875 1.00 2.51 N ATOM 0 H GLN A 17 -14.709 -4.864 -4.061 1.00 0.63 H new ATOM 0 HA GLN A 17 -16.957 -5.010 -5.674 1.00 0.76 H new ATOM 0 HB2 GLN A 17 -14.074 -4.582 -6.498 1.00 0.94 H new ATOM 0 HB3 GLN A 17 -15.488 -4.163 -7.444 1.00 0.94 H new ATOM 0 HG2 GLN A 17 -14.351 -2.811 -5.020 1.00 1.20 H new ATOM 0 HG3 GLN A 17 -14.850 -2.118 -6.550 1.00 1.20 H new ATOM 0 HE21 GLN A 17 -15.886 -3.100 -3.330 1.00 2.51 H new ATOM 0 HE22 GLN A 17 -17.491 -2.367 -3.421 1.00 2.51 H new ATOM 258 N VAL A 18 -14.987 -7.592 -6.107 1.00 0.60 N ATOM 259 CA VAL A 18 -14.898 -8.925 -6.703 1.00 0.65 C ATOM 260 C VAL A 18 -15.197 -10.029 -5.675 1.00 0.63 C ATOM 261 O VAL A 18 -15.019 -11.209 -5.970 1.00 0.86 O ATOM 262 CB VAL A 18 -13.532 -9.091 -7.386 1.00 0.73 C ATOM 263 CG1 VAL A 18 -13.516 -8.276 -8.686 1.00 0.89 C ATOM 264 CG2 VAL A 18 -12.372 -8.658 -6.482 1.00 0.67 C ATOM 0 H VAL A 18 -14.284 -7.425 -5.387 1.00 0.60 H new ATOM 0 HA VAL A 18 -15.667 -9.028 -7.469 1.00 0.65 H new ATOM 0 HB VAL A 18 -13.392 -10.150 -7.601 1.00 0.73 H new ATOM 0 HG11 VAL A 18 -12.549 -8.390 -9.175 1.00 0.89 H new ATOM 0 HG12 VAL A 18 -14.303 -8.634 -9.350 1.00 0.89 H new ATOM 0 HG13 VAL A 18 -13.685 -7.224 -8.458 1.00 0.89 H new ATOM 0 HG21 VAL A 18 -11.428 -8.795 -7.010 1.00 0.67 H new ATOM 0 HG22 VAL A 18 -12.490 -7.608 -6.216 1.00 0.67 H new ATOM 0 HG23 VAL A 18 -12.371 -9.264 -5.576 1.00 0.67 H new ATOM 274 N GLY A 19 -15.701 -9.671 -4.495 1.00 0.51 N ATOM 275 CA GLY A 19 -16.051 -10.599 -3.432 1.00 0.56 C ATOM 276 C GLY A 19 -14.849 -11.398 -2.926 1.00 0.68 C ATOM 277 O GLY A 19 -14.995 -12.551 -2.520 1.00 1.12 O ATOM 0 H GLY A 19 -15.881 -8.697 -4.250 1.00 0.51 H new ATOM 0 HA2 GLY A 19 -16.489 -10.045 -2.602 1.00 0.56 H new ATOM 0 HA3 GLY A 19 -16.814 -11.288 -3.794 1.00 0.56 H new ATOM 281 N VAL A 20 -13.661 -10.796 -2.924 1.00 0.49 N ATOM 282 CA VAL A 20 -12.442 -11.420 -2.428 1.00 0.50 C ATOM 283 C VAL A 20 -12.370 -11.234 -0.903 1.00 0.53 C ATOM 284 O VAL A 20 -12.739 -10.176 -0.382 1.00 0.58 O ATOM 285 CB VAL A 20 -11.234 -10.808 -3.160 1.00 0.49 C ATOM 286 CG1 VAL A 20 -9.918 -11.202 -2.494 1.00 0.65 C ATOM 287 CG2 VAL A 20 -11.153 -11.251 -4.628 1.00 0.56 C ATOM 0 H VAL A 20 -13.519 -9.848 -3.272 1.00 0.49 H new ATOM 0 HA VAL A 20 -12.436 -12.492 -2.627 1.00 0.50 H new ATOM 0 HB VAL A 20 -11.383 -9.729 -3.109 1.00 0.49 H new ATOM 0 HG11 VAL A 20 -9.087 -10.752 -3.037 1.00 0.65 H new ATOM 0 HG12 VAL A 20 -9.912 -10.848 -1.463 1.00 0.65 H new ATOM 0 HG13 VAL A 20 -9.815 -12.287 -2.506 1.00 0.65 H new ATOM 0 HG21 VAL A 20 -10.284 -10.792 -5.099 1.00 0.56 H new ATOM 0 HG22 VAL A 20 -11.061 -12.336 -4.676 1.00 0.56 H new ATOM 0 HG23 VAL A 20 -12.057 -10.940 -5.152 1.00 0.56 H new ATOM 297 N GLY A 21 -11.902 -12.259 -0.186 1.00 0.60 N ATOM 298 CA GLY A 21 -11.811 -12.265 1.268 1.00 0.68 C ATOM 299 C GLY A 21 -10.802 -11.243 1.804 1.00 0.72 C ATOM 300 O GLY A 21 -10.119 -10.572 1.026 1.00 0.69 O ATOM 0 H GLY A 21 -11.570 -13.124 -0.613 1.00 0.60 H new ATOM 0 HA2 GLY A 21 -12.794 -12.054 1.690 1.00 0.68 H new ATOM 0 HA3 GLY A 21 -11.526 -13.261 1.606 1.00 0.68 H new ATOM 304 N PRO A 22 -10.748 -11.046 3.131 1.00 0.95 N ATOM 305 CA PRO A 22 -9.955 -9.985 3.728 1.00 1.06 C ATOM 306 C PRO A 22 -8.524 -10.411 4.074 1.00 1.14 C ATOM 307 O PRO A 22 -8.205 -11.598 4.076 1.00 1.49 O ATOM 308 CB PRO A 22 -10.752 -9.540 4.951 1.00 1.12 C ATOM 309 CG PRO A 22 -11.392 -10.847 5.412 1.00 1.14 C ATOM 310 CD PRO A 22 -11.688 -11.583 4.102 1.00 1.05 C ATOM 0 HA PRO A 22 -9.802 -9.167 3.024 1.00 1.06 H new ATOM 0 HB2 PRO A 22 -10.111 -9.107 5.719 1.00 1.12 H new ATOM 0 HB3 PRO A 22 -11.499 -8.788 4.698 1.00 1.12 H new ATOM 0 HG2 PRO A 22 -10.719 -11.420 6.051 1.00 1.14 H new ATOM 0 HG3 PRO A 22 -12.301 -10.668 5.986 1.00 1.14 H new ATOM 0 HD2 PRO A 22 -11.559 -12.659 4.219 1.00 1.05 H new ATOM 0 HD3 PRO A 22 -12.717 -11.418 3.784 1.00 1.05 H new ATOM 318 N MET A 23 -7.682 -9.413 4.372 1.00 0.98 N ATOM 319 CA MET A 23 -6.264 -9.528 4.720 1.00 0.94 C ATOM 320 C MET A 23 -6.031 -8.776 6.028 1.00 0.93 C ATOM 321 O MET A 23 -6.882 -7.976 6.424 1.00 0.96 O ATOM 322 CB MET A 23 -5.367 -8.926 3.619 1.00 0.86 C ATOM 323 CG MET A 23 -6.084 -7.878 2.772 1.00 0.95 C ATOM 324 SD MET A 23 -5.091 -6.928 1.595 1.00 1.06 S ATOM 325 CE MET A 23 -4.339 -8.253 0.633 1.00 1.27 C ATOM 0 H MET A 23 -7.995 -8.442 4.376 1.00 0.98 H new ATOM 0 HA MET A 23 -6.007 -10.582 4.824 1.00 0.94 H new ATOM 0 HB2 MET A 23 -4.489 -8.474 4.080 1.00 0.86 H new ATOM 0 HB3 MET A 23 -5.010 -9.726 2.971 1.00 0.86 H new ATOM 0 HG2 MET A 23 -6.875 -8.380 2.215 1.00 0.95 H new ATOM 0 HG3 MET A 23 -6.568 -7.174 3.448 1.00 0.95 H new ATOM 0 HE1 MET A 23 -3.767 -7.825 -0.190 1.00 1.27 H new ATOM 0 HE2 MET A 23 -3.675 -8.835 1.272 1.00 1.27 H new ATOM 0 HE3 MET A 23 -5.119 -8.901 0.234 1.00 1.27 H new ATOM 335 N SER A 24 -4.887 -9.004 6.669 1.00 0.96 N ATOM 336 CA SER A 24 -4.541 -8.404 7.950 1.00 0.99 C ATOM 337 C SER A 24 -3.723 -7.128 7.748 1.00 0.43 C ATOM 338 O SER A 24 -3.475 -6.725 6.614 1.00 0.68 O ATOM 339 CB SER A 24 -3.858 -9.467 8.840 1.00 1.64 C ATOM 340 OG SER A 24 -2.584 -9.107 9.360 1.00 1.48 O ATOM 0 H SER A 24 -4.163 -9.623 6.304 1.00 0.96 H new ATOM 0 HA SER A 24 -5.438 -8.082 8.479 1.00 0.99 H new ATOM 0 HB2 SER A 24 -4.520 -9.695 9.675 1.00 1.64 H new ATOM 0 HB3 SER A 24 -3.748 -10.384 8.261 1.00 1.64 H new ATOM 0 HG SER A 24 -2.236 -9.840 9.909 1.00 1.48 H new ATOM 346 N TRP A 25 -3.345 -6.486 8.858 1.00 0.45 N ATOM 347 CA TRP A 25 -2.278 -5.505 8.877 1.00 0.41 C ATOM 348 C TRP A 25 -1.041 -6.133 9.510 1.00 0.66 C ATOM 349 O TRP A 25 -1.076 -6.499 10.688 1.00 1.31 O ATOM 350 CB TRP A 25 -2.656 -4.274 9.698 1.00 0.60 C ATOM 351 CG TRP A 25 -1.664 -3.190 9.461 1.00 0.61 C ATOM 352 CD1 TRP A 25 -0.607 -2.854 10.233 1.00 0.59 C ATOM 353 CD2 TRP A 25 -1.518 -2.441 8.231 1.00 0.53 C ATOM 354 NE1 TRP A 25 0.113 -1.859 9.601 1.00 0.55 N ATOM 355 CE2 TRP A 25 -0.404 -1.569 8.355 1.00 0.50 C ATOM 356 CE3 TRP A 25 -2.220 -2.436 7.015 1.00 0.51 C ATOM 357 CZ2 TRP A 25 -0.063 -0.662 7.344 1.00 0.47 C ATOM 358 CZ3 TRP A 25 -1.839 -1.592 5.967 1.00 0.48 C ATOM 359 CH2 TRP A 25 -0.816 -0.646 6.155 1.00 0.46 C ATOM 0 H TRP A 25 -3.779 -6.640 9.768 1.00 0.45 H new ATOM 0 HA TRP A 25 -2.089 -5.196 7.849 1.00 0.41 H new ATOM 0 HB2 TRP A 25 -3.654 -3.934 9.423 1.00 0.60 H new ATOM 0 HB3 TRP A 25 -2.687 -4.527 10.758 1.00 0.60 H new ATOM 0 HD1 TRP A 25 -0.364 -3.293 11.190 1.00 0.59 H new ATOM 0 HE1 TRP A 25 0.927 -1.396 10.006 1.00 0.55 H new ATOM 0 HE3 TRP A 25 -3.067 -3.094 6.887 1.00 0.51 H new ATOM 0 HZ2 TRP A 25 0.767 0.016 7.475 1.00 0.47 H new ATOM 0 HZ3 TRP A 25 -2.333 -1.667 5.009 1.00 0.48 H new ATOM 0 HH2 TRP A 25 -0.609 0.089 5.391 1.00 0.46 H new ATOM 370 N ASP A 26 0.062 -6.197 8.785 1.00 0.52 N ATOM 371 CA ASP A 26 1.327 -6.771 9.209 1.00 0.59 C ATOM 372 C ASP A 26 2.295 -5.650 9.547 1.00 0.76 C ATOM 373 O ASP A 26 2.736 -4.892 8.683 1.00 1.35 O ATOM 374 CB ASP A 26 1.888 -7.731 8.149 1.00 0.63 C ATOM 375 CG ASP A 26 1.044 -7.785 6.900 1.00 2.55 C ATOM 376 OD1 ASP A 26 -0.082 -8.316 7.005 1.00 3.74 O ATOM 377 OD2 ASP A 26 1.494 -7.266 5.867 1.00 3.89 O ATOM 0 H ASP A 26 0.101 -5.830 7.834 1.00 0.52 H new ATOM 0 HA ASP A 26 1.172 -7.371 10.106 1.00 0.59 H new ATOM 0 HB2 ASP A 26 2.899 -7.422 7.885 1.00 0.63 H new ATOM 0 HB3 ASP A 26 1.962 -8.732 8.575 1.00 0.63 H new ATOM 382 N ALA A 27 2.681 -5.578 10.821 1.00 0.59 N ATOM 383 CA ALA A 27 3.607 -4.563 11.291 1.00 0.67 C ATOM 384 C ALA A 27 4.955 -4.765 10.606 1.00 0.62 C ATOM 385 O ALA A 27 5.618 -3.807 10.225 1.00 0.64 O ATOM 386 CB ALA A 27 3.778 -4.711 12.802 1.00 0.79 C ATOM 0 H ALA A 27 2.360 -6.219 11.547 1.00 0.59 H new ATOM 0 HA ALA A 27 3.224 -3.569 11.059 1.00 0.67 H new ATOM 0 HB1 ALA A 27 4.472 -3.953 13.166 1.00 0.79 H new ATOM 0 HB2 ALA A 27 2.813 -4.584 13.292 1.00 0.79 H new ATOM 0 HB3 ALA A 27 4.172 -5.702 13.028 1.00 0.79 H new ATOM 392 N ASN A 28 5.352 -6.023 10.430 1.00 0.62 N ATOM 393 CA ASN A 28 6.637 -6.363 9.838 1.00 0.62 C ATOM 394 C ASN A 28 6.684 -5.872 8.407 1.00 0.55 C ATOM 395 O ASN A 28 7.600 -5.147 8.042 1.00 0.61 O ATOM 396 CB ASN A 28 6.831 -7.883 9.829 1.00 0.68 C ATOM 397 CG ASN A 28 7.506 -8.429 11.075 1.00 1.07 C ATOM 398 OD1 ASN A 28 7.911 -7.676 11.959 1.00 1.99 O ATOM 399 ND2 ASN A 28 7.629 -9.744 11.150 1.00 1.81 N ATOM 0 H ASN A 28 4.790 -6.832 10.694 1.00 0.62 H new ATOM 0 HA ASN A 28 7.423 -5.893 10.428 1.00 0.62 H new ATOM 0 HB2 ASN A 28 5.858 -8.362 9.716 1.00 0.68 H new ATOM 0 HB3 ASN A 28 7.425 -8.158 8.957 1.00 0.68 H new ATOM 0 HD21 ASN A 28 8.074 -10.169 11.964 1.00 1.81 H new ATOM 0 HD22 ASN A 28 7.279 -10.333 10.394 1.00 1.81 H new ATOM 406 N LEU A 29 5.715 -6.268 7.589 1.00 0.47 N ATOM 407 CA LEU A 29 5.687 -5.897 6.185 1.00 0.38 C ATOM 408 C LEU A 29 5.572 -4.377 6.051 1.00 0.34 C ATOM 409 O LEU A 29 6.266 -3.777 5.234 1.00 0.35 O ATOM 410 CB LEU A 29 4.556 -6.657 5.495 1.00 0.48 C ATOM 411 CG LEU A 29 4.929 -8.151 5.373 1.00 0.80 C ATOM 412 CD1 LEU A 29 3.749 -9.116 5.423 1.00 1.54 C ATOM 413 CD2 LEU A 29 5.552 -8.375 4.005 1.00 0.48 C ATOM 0 H LEU A 29 4.932 -6.852 7.882 1.00 0.47 H new ATOM 0 HA LEU A 29 6.615 -6.177 5.687 1.00 0.38 H new ATOM 0 HB2 LEU A 29 3.632 -6.548 6.064 1.00 0.48 H new ATOM 0 HB3 LEU A 29 4.373 -6.236 4.506 1.00 0.48 H new ATOM 0 HG LEU A 29 5.581 -8.353 6.223 1.00 0.80 H new ATOM 0 HD11 LEU A 29 4.112 -10.140 5.330 1.00 1.54 H new ATOM 0 HD12 LEU A 29 3.225 -9.002 6.372 1.00 1.54 H new ATOM 0 HD13 LEU A 29 3.065 -8.897 4.603 1.00 1.54 H new ATOM 0 HD21 LEU A 29 5.824 -9.425 3.896 1.00 0.48 H new ATOM 0 HD22 LEU A 29 4.835 -8.104 3.230 1.00 0.48 H new ATOM 0 HD23 LEU A 29 6.445 -7.757 3.906 1.00 0.48 H new ATOM 425 N ALA A 30 4.765 -3.733 6.897 1.00 0.39 N ATOM 426 CA ALA A 30 4.716 -2.278 6.954 1.00 0.43 C ATOM 427 C ALA A 30 6.105 -1.699 7.234 1.00 0.48 C ATOM 428 O ALA A 30 6.519 -0.723 6.602 1.00 0.50 O ATOM 429 CB ALA A 30 3.694 -1.826 8.001 1.00 0.47 C ATOM 0 H ALA A 30 4.137 -4.201 7.551 1.00 0.39 H new ATOM 0 HA ALA A 30 4.395 -1.897 5.984 1.00 0.43 H new ATOM 0 HB1 ALA A 30 3.666 -0.737 8.035 1.00 0.47 H new ATOM 0 HB2 ALA A 30 2.708 -2.207 7.735 1.00 0.47 H new ATOM 0 HB3 ALA A 30 3.980 -2.212 8.979 1.00 0.47 H new ATOM 435 N SER A 31 6.829 -2.274 8.196 1.00 0.53 N ATOM 436 CA SER A 31 8.150 -1.808 8.547 1.00 0.61 C ATOM 437 C SER A 31 9.094 -1.985 7.362 1.00 0.54 C ATOM 438 O SER A 31 9.824 -1.067 7.016 1.00 0.56 O ATOM 439 CB SER A 31 8.625 -2.482 9.842 1.00 0.72 C ATOM 440 OG SER A 31 9.355 -3.679 9.643 1.00 0.93 O ATOM 0 H SER A 31 6.508 -3.072 8.745 1.00 0.53 H new ATOM 0 HA SER A 31 8.134 -0.739 8.762 1.00 0.61 H new ATOM 0 HB2 SER A 31 9.247 -1.779 10.396 1.00 0.72 H new ATOM 0 HB3 SER A 31 7.757 -2.699 10.464 1.00 0.72 H new ATOM 0 HG SER A 31 8.840 -4.285 9.071 1.00 0.93 H new ATOM 446 N ARG A 32 9.063 -3.157 6.728 1.00 0.49 N ATOM 447 CA ARG A 32 9.798 -3.473 5.519 1.00 0.53 C ATOM 448 C ARG A 32 9.572 -2.368 4.503 1.00 0.45 C ATOM 449 O ARG A 32 10.528 -1.777 4.030 1.00 0.47 O ATOM 450 CB ARG A 32 9.283 -4.815 4.961 1.00 0.68 C ATOM 451 CG ARG A 32 10.361 -5.751 4.419 1.00 0.78 C ATOM 452 CD ARG A 32 11.030 -6.532 5.555 1.00 1.99 C ATOM 453 NE ARG A 32 12.066 -5.737 6.227 1.00 3.28 N ATOM 454 CZ ARG A 32 12.710 -6.067 7.353 1.00 4.42 C ATOM 455 NH1 ARG A 32 12.332 -7.128 8.066 1.00 4.77 N ATOM 456 NH2 ARG A 32 13.728 -5.306 7.739 1.00 5.57 N ATOM 0 H ARG A 32 8.500 -3.939 7.062 1.00 0.49 H new ATOM 0 HA ARG A 32 10.864 -3.554 5.731 1.00 0.53 H new ATOM 0 HB2 ARG A 32 8.738 -5.333 5.750 1.00 0.68 H new ATOM 0 HB3 ARG A 32 8.569 -4.609 4.163 1.00 0.68 H new ATOM 0 HG2 ARG A 32 9.919 -6.446 3.706 1.00 0.78 H new ATOM 0 HG3 ARG A 32 11.111 -5.174 3.878 1.00 0.78 H new ATOM 0 HD2 ARG A 32 10.276 -6.835 6.281 1.00 1.99 H new ATOM 0 HD3 ARG A 32 11.473 -7.445 5.157 1.00 1.99 H new ATOM 0 HE ARG A 32 12.319 -4.849 5.794 1.00 3.28 H new ATOM 0 HH11 ARG A 32 11.545 -7.697 7.755 1.00 4.77 H new ATOM 0 HH12 ARG A 32 12.830 -7.370 8.923 1.00 4.77 H new ATOM 0 HH21 ARG A 32 13.999 -4.496 7.182 1.00 5.57 H new ATOM 0 HH22 ARG A 32 14.239 -5.532 8.593 1.00 5.57 H new ATOM 470 N ALA A 33 8.313 -2.077 4.184 1.00 0.42 N ATOM 471 CA ALA A 33 7.974 -1.085 3.185 1.00 0.43 C ATOM 472 C ALA A 33 8.578 0.276 3.540 1.00 0.44 C ATOM 473 O ALA A 33 9.135 0.949 2.674 1.00 0.48 O ATOM 474 CB ALA A 33 6.455 -1.009 3.046 1.00 0.48 C ATOM 0 H ALA A 33 7.505 -2.526 4.615 1.00 0.42 H new ATOM 0 HA ALA A 33 8.397 -1.379 2.224 1.00 0.43 H new ATOM 0 HB1 ALA A 33 6.195 -0.263 2.295 1.00 0.48 H new ATOM 0 HB2 ALA A 33 6.068 -1.981 2.741 1.00 0.48 H new ATOM 0 HB3 ALA A 33 6.016 -0.728 4.003 1.00 0.48 H new ATOM 480 N GLN A 34 8.444 0.710 4.796 1.00 0.48 N ATOM 481 CA GLN A 34 8.967 2.009 5.199 1.00 0.59 C ATOM 482 C GLN A 34 10.495 2.032 5.123 1.00 0.54 C ATOM 483 O GLN A 34 11.068 2.906 4.482 1.00 0.63 O ATOM 484 CB GLN A 34 8.423 2.414 6.578 1.00 0.81 C ATOM 485 CG GLN A 34 8.842 3.833 6.997 1.00 1.15 C ATOM 486 CD GLN A 34 8.204 4.908 6.128 1.00 1.45 C ATOM 487 OE1 GLN A 34 8.501 5.028 4.948 1.00 3.09 O ATOM 488 NE2 GLN A 34 7.257 5.676 6.639 1.00 1.70 N ATOM 0 H GLN A 34 7.983 0.186 5.540 1.00 0.48 H new ATOM 0 HA GLN A 34 8.615 2.764 4.496 1.00 0.59 H new ATOM 0 HB2 GLN A 34 7.335 2.351 6.566 1.00 0.81 H new ATOM 0 HB3 GLN A 34 8.775 1.702 7.325 1.00 0.81 H new ATOM 0 HG2 GLN A 34 8.563 3.999 8.038 1.00 1.15 H new ATOM 0 HG3 GLN A 34 9.927 3.920 6.940 1.00 1.15 H new ATOM 0 HE21 GLN A 34 7.001 5.584 7.622 1.00 1.70 H new ATOM 0 HE22 GLN A 34 6.782 6.360 6.050 1.00 1.70 H new ATOM 497 N ASN A 35 11.150 1.077 5.775 1.00 0.55 N ATOM 498 CA ASN A 35 12.595 0.871 5.723 1.00 0.60 C ATOM 499 C ASN A 35 13.065 0.925 4.275 1.00 0.58 C ATOM 500 O ASN A 35 13.923 1.723 3.926 1.00 0.64 O ATOM 501 CB ASN A 35 12.921 -0.537 6.260 1.00 0.68 C ATOM 502 CG ASN A 35 13.163 -0.619 7.759 1.00 0.92 C ATOM 503 OD1 ASN A 35 14.156 -0.113 8.275 1.00 1.48 O ATOM 504 ND2 ASN A 35 12.279 -1.303 8.472 1.00 2.09 N ATOM 0 H ASN A 35 10.675 0.402 6.374 1.00 0.55 H new ATOM 0 HA ASN A 35 13.086 1.642 6.316 1.00 0.60 H new ATOM 0 HB2 ASN A 35 12.099 -1.205 6.004 1.00 0.68 H new ATOM 0 HB3 ASN A 35 13.806 -0.909 5.744 1.00 0.68 H new ATOM 0 HD21 ASN A 35 12.415 -1.420 9.476 1.00 2.09 H new ATOM 0 HD22 ASN A 35 11.463 -1.712 8.016 1.00 2.09 H new ATOM 511 N TYR A 36 12.498 0.071 3.429 1.00 0.59 N ATOM 512 CA TYR A 36 12.765 -0.015 2.005 1.00 0.65 C ATOM 513 C TYR A 36 12.647 1.357 1.354 1.00 0.63 C ATOM 514 O TYR A 36 13.532 1.755 0.597 1.00 0.75 O ATOM 515 CB TYR A 36 11.782 -1.008 1.379 1.00 0.71 C ATOM 516 CG TYR A 36 11.577 -0.883 -0.113 1.00 0.81 C ATOM 517 CD1 TYR A 36 12.495 -1.459 -1.009 1.00 1.65 C ATOM 518 CD2 TYR A 36 10.378 -0.322 -0.596 1.00 2.40 C ATOM 519 CE1 TYR A 36 12.156 -1.577 -2.368 1.00 1.69 C ATOM 520 CE2 TYR A 36 10.021 -0.509 -1.937 1.00 2.90 C ATOM 521 CZ TYR A 36 10.850 -1.260 -2.775 1.00 1.93 C ATOM 522 OH TYR A 36 10.444 -1.493 -4.050 1.00 2.65 O ATOM 0 H TYR A 36 11.806 -0.612 3.737 1.00 0.59 H new ATOM 0 HA TYR A 36 13.784 -0.366 1.842 1.00 0.65 H new ATOM 0 HB2 TYR A 36 12.129 -2.018 1.595 1.00 0.71 H new ATOM 0 HB3 TYR A 36 10.816 -0.891 1.870 1.00 0.71 H new ATOM 0 HD1 TYR A 36 13.454 -1.808 -0.655 1.00 1.65 H new ATOM 0 HD2 TYR A 36 9.739 0.248 0.063 1.00 2.40 H new ATOM 0 HE1 TYR A 36 12.890 -1.907 -3.089 1.00 1.69 H new ATOM 0 HE2 TYR A 36 9.110 -0.075 -2.322 1.00 2.90 H new ATOM 0 HH TYR A 36 9.637 -2.049 -4.040 1.00 2.65 H new ATOM 532 N ALA A 37 11.554 2.074 1.611 1.00 0.59 N ATOM 533 CA ALA A 37 11.380 3.418 1.092 1.00 0.68 C ATOM 534 C ALA A 37 12.574 4.273 1.519 1.00 0.78 C ATOM 535 O ALA A 37 13.392 4.626 0.685 1.00 1.21 O ATOM 536 CB ALA A 37 10.030 3.986 1.547 1.00 0.72 C ATOM 0 H ALA A 37 10.776 1.739 2.179 1.00 0.59 H new ATOM 0 HA ALA A 37 11.356 3.414 0.002 1.00 0.68 H new ATOM 0 HB1 ALA A 37 9.908 4.995 1.153 1.00 0.72 H new ATOM 0 HB2 ALA A 37 9.225 3.352 1.176 1.00 0.72 H new ATOM 0 HB3 ALA A 37 9.996 4.016 2.636 1.00 0.72 H new ATOM 542 N ASN A 38 12.694 4.531 2.819 1.00 0.64 N ATOM 543 CA ASN A 38 13.745 5.304 3.491 1.00 0.69 C ATOM 544 C ASN A 38 15.162 4.936 3.064 1.00 0.72 C ATOM 545 O ASN A 38 16.036 5.801 3.026 1.00 1.03 O ATOM 546 CB ASN A 38 13.605 5.082 5.008 1.00 0.69 C ATOM 547 CG ASN A 38 12.759 6.138 5.713 1.00 1.00 C ATOM 548 OD1 ASN A 38 12.830 7.331 5.420 1.00 1.72 O ATOM 549 ND2 ASN A 38 11.954 5.723 6.680 1.00 1.17 N ATOM 0 H ASN A 38 12.007 4.179 3.485 1.00 0.64 H new ATOM 0 HA ASN A 38 13.605 6.347 3.208 1.00 0.69 H new ATOM 0 HB2 ASN A 38 13.163 4.101 5.182 1.00 0.69 H new ATOM 0 HB3 ASN A 38 14.598 5.068 5.456 1.00 0.69 H new ATOM 0 HD21 ASN A 38 11.383 6.395 7.192 1.00 1.17 H new ATOM 0 HD22 ASN A 38 11.905 4.731 6.912 1.00 1.17 H new ATOM 556 N SER A 39 15.445 3.658 2.839 1.00 0.65 N ATOM 557 CA SER A 39 16.785 3.210 2.504 1.00 0.87 C ATOM 558 C SER A 39 17.196 3.771 1.145 1.00 1.08 C ATOM 559 O SER A 39 18.380 4.013 0.900 1.00 1.46 O ATOM 560 CB SER A 39 16.864 1.682 2.563 1.00 0.98 C ATOM 561 OG SER A 39 15.967 1.068 1.654 1.00 1.88 O ATOM 0 H SER A 39 14.754 2.909 2.884 1.00 0.65 H new ATOM 0 HA SER A 39 17.496 3.590 3.237 1.00 0.87 H new ATOM 0 HB2 SER A 39 17.882 1.363 2.339 1.00 0.98 H new ATOM 0 HB3 SER A 39 16.640 1.346 3.576 1.00 0.98 H new ATOM 0 HG SER A 39 15.257 1.701 1.417 1.00 1.88 H new ATOM 567 N ARG A 40 16.220 4.002 0.267 1.00 1.07 N ATOM 568 CA ARG A 40 16.444 4.786 -0.921 1.00 1.46 C ATOM 569 C ARG A 40 16.136 6.227 -0.553 1.00 1.64 C ATOM 570 O ARG A 40 15.175 6.498 0.157 1.00 2.78 O ATOM 571 CB ARG A 40 15.565 4.288 -2.066 1.00 1.75 C ATOM 572 CG ARG A 40 15.856 2.816 -2.365 1.00 1.79 C ATOM 573 CD ARG A 40 15.436 2.485 -3.798 1.00 1.65 C ATOM 574 NE ARG A 40 16.475 2.890 -4.762 1.00 2.25 N ATOM 575 CZ ARG A 40 17.375 2.051 -5.298 1.00 3.17 C ATOM 576 NH1 ARG A 40 17.434 0.786 -4.892 1.00 3.65 N ATOM 577 NH2 ARG A 40 18.191 2.490 -6.248 1.00 4.01 N ATOM 0 H ARG A 40 15.268 3.651 0.368 1.00 1.07 H new ATOM 0 HA ARG A 40 17.473 4.699 -1.270 1.00 1.46 H new ATOM 0 HB2 ARG A 40 14.514 4.411 -1.805 1.00 1.75 H new ATOM 0 HB3 ARG A 40 15.745 4.889 -2.958 1.00 1.75 H new ATOM 0 HG2 ARG A 40 16.918 2.611 -2.231 1.00 1.79 H new ATOM 0 HG3 ARG A 40 15.318 2.180 -1.662 1.00 1.79 H new ATOM 0 HD2 ARG A 40 15.250 1.415 -3.888 1.00 1.65 H new ATOM 0 HD3 ARG A 40 14.500 2.992 -4.032 1.00 1.65 H new ATOM 0 HE ARG A 40 16.512 3.871 -5.039 1.00 2.25 H new ATOM 0 HH11 ARG A 40 16.794 0.451 -4.172 1.00 3.65 H new ATOM 0 HH12 ARG A 40 18.119 0.151 -5.301 1.00 3.65 H new ATOM 0 HH21 ARG A 40 18.131 3.458 -6.565 1.00 4.01 H new ATOM 0 HH22 ARG A 40 18.878 1.860 -6.661 1.00 4.01 H new ATOM 591 N ALA A 41 16.945 7.168 -1.016 1.00 2.19 N ATOM 592 CA ALA A 41 16.759 8.561 -0.691 1.00 2.25 C ATOM 593 C ALA A 41 17.771 9.356 -1.496 1.00 2.28 C ATOM 594 O ALA A 41 18.731 9.919 -0.975 1.00 3.43 O ATOM 595 CB ALA A 41 16.845 8.742 0.833 1.00 2.52 C ATOM 0 H ALA A 41 17.743 6.982 -1.624 1.00 2.19 H new ATOM 0 HA ALA A 41 15.773 8.936 -0.964 1.00 2.25 H new ATOM 0 HB1 ALA A 41 16.705 9.794 1.083 1.00 2.52 H new ATOM 0 HB2 ALA A 41 16.068 8.148 1.314 1.00 2.52 H new ATOM 0 HB3 ALA A 41 17.823 8.413 1.184 1.00 2.52 H new ATOM 601 N GLY A 42 17.522 9.375 -2.801 1.00 2.00 N ATOM 602 CA GLY A 42 18.388 9.945 -3.815 1.00 2.16 C ATOM 603 C GLY A 42 17.961 9.407 -5.179 1.00 1.91 C ATOM 604 O GLY A 42 17.910 10.149 -6.160 1.00 2.25 O ATOM 0 H GLY A 42 16.671 8.974 -3.194 1.00 2.00 H new ATOM 0 HA2 GLY A 42 18.323 11.033 -3.800 1.00 2.16 H new ATOM 0 HA3 GLY A 42 19.427 9.685 -3.614 1.00 2.16 H new ATOM 608 N ASP A 43 17.653 8.108 -5.245 1.00 1.61 N ATOM 609 CA ASP A 43 17.103 7.444 -6.428 1.00 1.68 C ATOM 610 C ASP A 43 15.974 6.507 -6.020 1.00 1.95 C ATOM 611 O ASP A 43 15.993 5.300 -6.258 1.00 3.51 O ATOM 612 CB ASP A 43 18.164 6.778 -7.314 1.00 2.17 C ATOM 613 CG ASP A 43 19.132 5.876 -6.587 1.00 2.77 C ATOM 614 OD1 ASP A 43 18.695 5.054 -5.761 1.00 3.28 O ATOM 615 OD2 ASP A 43 20.339 5.980 -6.875 1.00 4.01 O ATOM 0 H ASP A 43 17.783 7.474 -4.456 1.00 1.61 H new ATOM 0 HA ASP A 43 16.681 8.215 -7.073 1.00 1.68 H new ATOM 0 HB2 ASP A 43 17.658 6.196 -8.085 1.00 2.17 H new ATOM 0 HB3 ASP A 43 18.731 7.557 -7.824 1.00 2.17 H new ATOM 620 N CYS A 44 14.933 7.099 -5.445 1.00 1.23 N ATOM 621 CA CYS A 44 13.732 6.361 -5.074 1.00 1.43 C ATOM 622 C CYS A 44 12.908 6.011 -6.313 1.00 1.24 C ATOM 623 O CYS A 44 12.072 5.111 -6.278 1.00 2.10 O ATOM 624 CB CYS A 44 12.939 7.156 -4.045 1.00 1.83 C ATOM 625 SG CYS A 44 13.591 7.010 -2.381 1.00 3.39 S ATOM 0 H CYS A 44 14.897 8.094 -5.225 1.00 1.23 H new ATOM 0 HA CYS A 44 14.011 5.414 -4.613 1.00 1.43 H new ATOM 0 HB2 CYS A 44 12.932 8.207 -4.334 1.00 1.83 H new ATOM 0 HB3 CYS A 44 11.903 6.817 -4.053 1.00 1.83 H new ATOM 630 N ASN A 45 13.181 6.676 -7.445 1.00 1.55 N ATOM 631 CA ASN A 45 12.832 6.212 -8.793 1.00 1.91 C ATOM 632 C ASN A 45 11.401 5.647 -8.900 1.00 1.98 C ATOM 633 O ASN A 45 10.477 6.244 -8.340 1.00 3.21 O ATOM 634 CB ASN A 45 13.964 5.315 -9.363 1.00 2.30 C ATOM 635 CG ASN A 45 14.347 4.018 -8.632 1.00 3.29 C ATOM 636 OD1 ASN A 45 15.475 3.554 -8.776 1.00 4.50 O ATOM 637 ND2 ASN A 45 13.462 3.367 -7.897 1.00 4.55 N ATOM 0 H ASN A 45 13.663 7.575 -7.447 1.00 1.55 H new ATOM 0 HA ASN A 45 12.778 7.076 -9.456 1.00 1.91 H new ATOM 0 HB2 ASN A 45 13.684 5.045 -10.381 1.00 2.30 H new ATOM 0 HB3 ASN A 45 14.863 5.928 -9.431 1.00 2.30 H new ATOM 0 HD21 ASN A 45 13.718 2.485 -7.453 1.00 4.55 H new ATOM 0 HD22 ASN A 45 12.523 3.747 -7.773 1.00 4.55 H new ATOM 644 N LEU A 46 11.193 4.589 -9.689 1.00 1.81 N ATOM 645 CA LEU A 46 10.097 3.627 -9.650 1.00 1.64 C ATOM 646 C LEU A 46 10.672 2.323 -10.184 1.00 1.75 C ATOM 647 O LEU A 46 10.605 2.067 -11.386 1.00 2.19 O ATOM 648 CB LEU A 46 8.898 3.993 -10.530 1.00 1.77 C ATOM 649 CG LEU A 46 8.018 5.088 -9.944 1.00 1.65 C ATOM 650 CD1 LEU A 46 6.778 5.240 -10.827 1.00 1.98 C ATOM 651 CD2 LEU A 46 7.516 4.790 -8.521 1.00 1.39 C ATOM 0 H LEU A 46 11.849 4.368 -10.438 1.00 1.81 H new ATOM 0 HA LEU A 46 9.725 3.582 -8.627 1.00 1.64 H new ATOM 0 HB2 LEU A 46 9.260 4.315 -11.506 1.00 1.77 H new ATOM 0 HB3 LEU A 46 8.293 3.101 -10.693 1.00 1.77 H new ATOM 0 HG LEU A 46 8.635 5.986 -9.903 1.00 1.65 H new ATOM 0 HD11 LEU A 46 6.136 6.022 -10.421 1.00 1.98 H new ATOM 0 HD12 LEU A 46 7.082 5.509 -11.838 1.00 1.98 H new ATOM 0 HD13 LEU A 46 6.231 4.297 -10.852 1.00 1.98 H new ATOM 0 HD21 LEU A 46 6.896 5.616 -8.173 1.00 1.39 H new ATOM 0 HD22 LEU A 46 6.927 3.873 -8.528 1.00 1.39 H new ATOM 0 HD23 LEU A 46 8.368 4.669 -7.852 1.00 1.39 H new ATOM 718 N ALA A 51 5.734 -8.834 -7.900 1.00 2.71 N ATOM 719 CA ALA A 51 5.432 -10.104 -7.263 1.00 1.92 C ATOM 720 C ALA A 51 5.406 -9.888 -5.745 1.00 1.33 C ATOM 721 O ALA A 51 6.111 -10.567 -5.010 1.00 2.21 O ATOM 722 CB ALA A 51 6.396 -11.212 -7.714 1.00 1.99 C ATOM 0 HA ALA A 51 4.448 -10.457 -7.573 1.00 1.92 H new ATOM 0 HB1 ALA A 51 6.136 -12.146 -7.215 1.00 1.99 H new ATOM 0 HB2 ALA A 51 6.319 -11.344 -8.793 1.00 1.99 H new ATOM 0 HB3 ALA A 51 7.417 -10.934 -7.454 1.00 1.99 H new ATOM 728 N GLY A 52 4.579 -8.948 -5.278 1.00 1.07 N ATOM 729 CA GLY A 52 4.302 -8.741 -3.859 1.00 0.65 C ATOM 730 C GLY A 52 4.351 -7.279 -3.401 1.00 0.69 C ATOM 731 O GLY A 52 4.268 -7.046 -2.196 1.00 1.51 O ATOM 0 H GLY A 52 4.077 -8.301 -5.887 1.00 1.07 H new ATOM 0 HA2 GLY A 52 3.315 -9.145 -3.633 1.00 0.65 H new ATOM 0 HA3 GLY A 52 5.022 -9.314 -3.275 1.00 0.65 H new ATOM 735 N GLU A 53 4.454 -6.301 -4.316 1.00 0.64 N ATOM 736 CA GLU A 53 4.505 -4.883 -3.983 1.00 0.58 C ATOM 737 C GLU A 53 3.590 -4.027 -4.870 1.00 0.69 C ATOM 738 O GLU A 53 3.359 -4.359 -6.033 1.00 0.96 O ATOM 739 CB GLU A 53 5.950 -4.402 -4.118 1.00 0.73 C ATOM 740 CG GLU A 53 6.694 -4.539 -2.793 1.00 1.10 C ATOM 741 CD GLU A 53 8.129 -4.097 -2.936 1.00 1.91 C ATOM 742 OE1 GLU A 53 8.374 -2.891 -3.128 1.00 2.91 O ATOM 743 OE2 GLU A 53 9.008 -4.974 -2.836 1.00 2.75 O ATOM 0 H GLU A 53 4.504 -6.484 -5.318 1.00 0.64 H new ATOM 0 HA GLU A 53 4.146 -4.768 -2.960 1.00 0.58 H new ATOM 0 HB2 GLU A 53 6.460 -4.981 -4.888 1.00 0.73 H new ATOM 0 HB3 GLU A 53 5.963 -3.361 -4.441 1.00 0.73 H new ATOM 0 HG2 GLU A 53 6.199 -3.940 -2.029 1.00 1.10 H new ATOM 0 HG3 GLU A 53 6.660 -5.575 -2.457 1.00 1.10 H new ATOM 750 N ASN A 54 3.116 -2.896 -4.343 1.00 0.62 N ATOM 751 CA ASN A 54 2.500 -1.788 -5.085 1.00 0.73 C ATOM 752 C ASN A 54 3.215 -0.528 -4.609 1.00 0.54 C ATOM 753 O ASN A 54 3.303 -0.334 -3.398 1.00 0.73 O ATOM 754 CB ASN A 54 1.015 -1.623 -4.706 1.00 1.10 C ATOM 755 CG ASN A 54 0.029 -1.889 -5.830 1.00 1.12 C ATOM 756 OD1 ASN A 54 0.279 -1.548 -6.985 1.00 2.42 O ATOM 757 ND2 ASN A 54 -1.123 -2.460 -5.503 1.00 1.35 N ATOM 0 H ASN A 54 3.152 -2.717 -3.339 1.00 0.62 H new ATOM 0 HA ASN A 54 2.576 -1.969 -6.157 1.00 0.73 H new ATOM 0 HB2 ASN A 54 0.790 -2.297 -3.879 1.00 1.10 H new ATOM 0 HB3 ASN A 54 0.860 -0.608 -4.341 1.00 1.10 H new ATOM 0 HD21 ASN A 54 -1.831 -2.627 -6.218 1.00 1.35 H new ATOM 0 HD22 ASN A 54 -1.301 -2.732 -4.536 1.00 1.35 H new ATOM 764 N LEU A 55 3.691 0.330 -5.516 1.00 0.43 N ATOM 765 CA LEU A 55 4.306 1.609 -5.145 1.00 0.40 C ATOM 766 C LEU A 55 3.336 2.761 -5.406 1.00 0.55 C ATOM 767 O LEU A 55 2.370 2.597 -6.146 1.00 0.82 O ATOM 768 CB LEU A 55 5.573 1.867 -5.964 1.00 0.57 C ATOM 769 CG LEU A 55 6.558 0.689 -6.037 1.00 0.73 C ATOM 770 CD1 LEU A 55 7.780 1.144 -6.847 1.00 0.91 C ATOM 771 CD2 LEU A 55 6.984 0.202 -4.647 1.00 0.81 C ATOM 0 H LEU A 55 3.662 0.160 -6.521 1.00 0.43 H new ATOM 0 HA LEU A 55 4.556 1.553 -4.085 1.00 0.40 H new ATOM 0 HB2 LEU A 55 5.281 2.139 -6.978 1.00 0.57 H new ATOM 0 HB3 LEU A 55 6.091 2.727 -5.540 1.00 0.57 H new ATOM 0 HG LEU A 55 6.067 -0.156 -6.520 1.00 0.73 H new ATOM 0 HD11 LEU A 55 8.497 0.326 -6.915 1.00 0.91 H new ATOM 0 HD12 LEU A 55 7.465 1.434 -7.849 1.00 0.91 H new ATOM 0 HD13 LEU A 55 8.247 1.996 -6.353 1.00 0.91 H new ATOM 0 HD21 LEU A 55 7.680 -0.631 -4.751 1.00 0.81 H new ATOM 0 HD22 LEU A 55 7.470 1.016 -4.109 1.00 0.81 H new ATOM 0 HD23 LEU A 55 6.106 -0.126 -4.091 1.00 0.81 H new ATOM 783 N ALA A 56 3.613 3.957 -4.905 1.00 0.46 N ATOM 784 CA ALA A 56 2.946 5.175 -5.328 1.00 0.54 C ATOM 785 C ALA A 56 3.880 6.342 -5.072 1.00 0.51 C ATOM 786 O ALA A 56 4.715 6.256 -4.174 1.00 0.53 O ATOM 787 CB ALA A 56 1.675 5.397 -4.520 1.00 0.62 C ATOM 0 H ALA A 56 4.318 4.108 -4.183 1.00 0.46 H new ATOM 0 HA ALA A 56 2.690 5.094 -6.384 1.00 0.54 H new ATOM 0 HB1 ALA A 56 1.189 6.315 -4.851 1.00 0.62 H new ATOM 0 HB2 ALA A 56 0.999 4.555 -4.667 1.00 0.62 H new ATOM 0 HB3 ALA A 56 1.926 5.481 -3.463 1.00 0.62 H new ATOM 793 N LYS A 57 3.716 7.419 -5.841 1.00 0.82 N ATOM 794 CA LYS A 57 4.310 8.707 -5.537 1.00 0.86 C ATOM 795 C LYS A 57 3.358 9.861 -5.828 1.00 0.93 C ATOM 796 O LYS A 57 2.510 9.751 -6.715 1.00 1.23 O ATOM 797 CB LYS A 57 5.636 8.942 -6.263 1.00 0.99 C ATOM 798 CG LYS A 57 6.394 7.665 -6.612 1.00 2.43 C ATOM 799 CD LYS A 57 7.770 8.009 -7.183 1.00 3.11 C ATOM 800 CE LYS A 57 7.748 8.335 -8.673 1.00 2.90 C ATOM 801 NZ LYS A 57 9.117 8.548 -9.186 1.00 4.04 N ATOM 0 H LYS A 57 3.162 7.415 -6.697 1.00 0.82 H new ATOM 0 HA LYS A 57 4.515 8.679 -4.467 1.00 0.86 H new ATOM 0 HB2 LYS A 57 5.441 9.498 -7.180 1.00 0.99 H new ATOM 0 HB3 LYS A 57 6.272 9.570 -5.639 1.00 0.99 H new ATOM 0 HG2 LYS A 57 6.506 7.045 -5.723 1.00 2.43 H new ATOM 0 HG3 LYS A 57 5.826 7.083 -7.338 1.00 2.43 H new ATOM 0 HD2 LYS A 57 8.177 8.861 -6.639 1.00 3.11 H new ATOM 0 HD3 LYS A 57 8.445 7.170 -7.013 1.00 3.11 H new ATOM 0 HE2 LYS A 57 7.273 7.521 -9.220 1.00 2.90 H new ATOM 0 HE3 LYS A 57 7.148 9.228 -8.845 1.00 2.90 H new ATOM 0 HZ1 LYS A 57 9.084 8.684 -10.216 1.00 4.04 H new ATOM 0 HZ2 LYS A 57 9.528 9.392 -8.738 1.00 4.04 H new ATOM 0 HZ3 LYS A 57 9.704 7.718 -8.965 1.00 4.04 H new ATOM 815 N GLY A 58 3.597 10.991 -5.174 1.00 0.89 N ATOM 816 CA GLY A 58 3.141 12.320 -5.546 1.00 1.10 C ATOM 817 C GLY A 58 3.866 13.285 -4.613 1.00 0.80 C ATOM 818 O GLY A 58 4.338 12.859 -3.558 1.00 2.03 O ATOM 0 H GLY A 58 4.149 11.002 -4.316 1.00 0.89 H new ATOM 0 HA2 GLY A 58 3.374 12.535 -6.589 1.00 1.10 H new ATOM 0 HA3 GLY A 58 2.060 12.408 -5.436 1.00 1.10 H new ATOM 822 N GLY A 59 4.077 14.531 -5.027 1.00 1.38 N ATOM 823 CA GLY A 59 5.041 15.396 -4.362 1.00 1.52 C ATOM 824 C GLY A 59 4.523 15.898 -3.024 1.00 1.56 C ATOM 825 O GLY A 59 5.096 15.582 -1.981 1.00 2.72 O ATOM 0 H GLY A 59 3.595 14.961 -5.816 1.00 1.38 H new ATOM 0 HA2 GLY A 59 5.973 14.851 -4.209 1.00 1.52 H new ATOM 0 HA3 GLY A 59 5.270 16.246 -5.005 1.00 1.52 H new ATOM 829 N GLY A 60 3.486 16.723 -3.047 1.00 1.23 N ATOM 830 CA GLY A 60 3.040 17.441 -1.868 1.00 1.56 C ATOM 831 C GLY A 60 2.164 16.541 -1.009 1.00 1.37 C ATOM 832 O GLY A 60 1.266 15.900 -1.553 1.00 2.08 O ATOM 0 H GLY A 60 2.933 16.911 -3.883 1.00 1.23 H new ATOM 0 HA2 GLY A 60 3.901 17.781 -1.292 1.00 1.56 H new ATOM 0 HA3 GLY A 60 2.483 18.330 -2.163 1.00 1.56 H new ATOM 836 N ASP A 61 2.426 16.501 0.307 1.00 2.25 N ATOM 837 CA ASP A 61 1.576 15.943 1.370 1.00 2.23 C ATOM 838 C ASP A 61 0.714 14.739 0.961 1.00 1.84 C ATOM 839 O ASP A 61 -0.433 14.594 1.386 1.00 1.91 O ATOM 840 CB ASP A 61 0.754 17.063 2.032 1.00 2.77 C ATOM 841 CG ASP A 61 -0.312 17.650 1.127 1.00 2.95 C ATOM 842 OD1 ASP A 61 0.063 18.409 0.209 1.00 3.68 O ATOM 843 OD2 ASP A 61 -1.515 17.444 1.389 1.00 3.10 O ATOM 0 H ASP A 61 3.295 16.883 0.681 1.00 2.25 H new ATOM 0 HA ASP A 61 2.258 15.517 2.106 1.00 2.23 H new ATOM 0 HB2 ASP A 61 0.279 16.671 2.931 1.00 2.77 H new ATOM 0 HB3 ASP A 61 1.428 17.859 2.349 1.00 2.77 H new ATOM 848 N PHE A 62 1.306 13.844 0.176 1.00 1.58 N ATOM 849 CA PHE A 62 0.647 12.727 -0.480 1.00 1.30 C ATOM 850 C PHE A 62 0.059 11.778 0.561 1.00 1.04 C ATOM 851 O PHE A 62 0.579 11.696 1.677 1.00 1.70 O ATOM 852 CB PHE A 62 1.707 12.016 -1.318 1.00 1.46 C ATOM 853 CG PHE A 62 1.217 11.014 -2.335 1.00 1.30 C ATOM 854 CD1 PHE A 62 0.634 11.460 -3.531 1.00 1.78 C ATOM 855 CD2 PHE A 62 1.491 9.647 -2.165 1.00 2.10 C ATOM 856 CE1 PHE A 62 0.198 10.530 -4.493 1.00 1.87 C ATOM 857 CE2 PHE A 62 1.036 8.717 -3.113 1.00 2.03 C ATOM 858 CZ PHE A 62 0.352 9.155 -4.259 1.00 1.31 C ATOM 0 H PHE A 62 2.305 13.882 -0.027 1.00 1.58 H new ATOM 0 HA PHE A 62 -0.174 13.070 -1.109 1.00 1.30 H new ATOM 0 HB2 PHE A 62 2.289 12.774 -1.842 1.00 1.46 H new ATOM 0 HB3 PHE A 62 2.389 11.504 -0.639 1.00 1.46 H new ATOM 0 HD1 PHE A 62 0.520 12.518 -3.713 1.00 1.78 H new ATOM 0 HD2 PHE A 62 2.052 9.311 -1.305 1.00 2.10 H new ATOM 0 HE1 PHE A 62 -0.255 10.874 -5.411 1.00 1.87 H new ATOM 0 HE2 PHE A 62 1.212 7.662 -2.961 1.00 2.03 H new ATOM 0 HZ PHE A 62 -0.053 8.437 -4.957 1.00 1.31 H new ATOM 868 N THR A 63 -1.015 11.066 0.219 1.00 0.97 N ATOM 869 CA THR A 63 -1.750 10.254 1.168 1.00 0.71 C ATOM 870 C THR A 63 -1.850 8.806 0.696 1.00 0.81 C ATOM 871 O THR A 63 -2.193 8.522 -0.450 1.00 1.62 O ATOM 872 CB THR A 63 -3.122 10.882 1.420 1.00 0.73 C ATOM 873 OG1 THR A 63 -3.952 10.836 0.277 1.00 0.93 O ATOM 874 CG2 THR A 63 -2.973 12.344 1.847 1.00 1.07 C ATOM 0 H THR A 63 -1.394 11.041 -0.728 1.00 0.97 H new ATOM 0 HA THR A 63 -1.211 10.228 2.115 1.00 0.71 H new ATOM 0 HB THR A 63 -3.587 10.297 2.213 1.00 0.73 H new ATOM 0 HG1 THR A 63 -4.818 11.246 0.485 1.00 0.93 H new ATOM 0 HG21 THR A 63 -3.959 12.774 2.022 1.00 1.07 H new ATOM 0 HG22 THR A 63 -2.386 12.397 2.764 1.00 1.07 H new ATOM 0 HG23 THR A 63 -2.468 12.903 1.060 1.00 1.07 H new ATOM 882 N GLY A 64 -1.573 7.878 1.603 1.00 0.52 N ATOM 883 CA GLY A 64 -1.666 6.451 1.373 1.00 0.43 C ATOM 884 C GLY A 64 -3.039 6.038 0.857 1.00 0.34 C ATOM 885 O GLY A 64 -3.146 5.203 -0.033 1.00 0.38 O ATOM 0 H GLY A 64 -1.268 8.111 2.548 1.00 0.52 H new ATOM 0 HA2 GLY A 64 -0.904 6.151 0.654 1.00 0.43 H new ATOM 0 HA3 GLY A 64 -1.454 5.921 2.302 1.00 0.43 H new ATOM 889 N ARG A 65 -4.105 6.610 1.404 1.00 0.35 N ATOM 890 CA ARG A 65 -5.454 6.260 1.000 1.00 0.40 C ATOM 891 C ARG A 65 -5.634 6.549 -0.493 1.00 0.42 C ATOM 892 O ARG A 65 -6.010 5.675 -1.277 1.00 0.45 O ATOM 893 CB ARG A 65 -6.453 7.029 1.872 1.00 0.53 C ATOM 894 CG ARG A 65 -7.801 6.313 1.814 1.00 0.96 C ATOM 895 CD ARG A 65 -8.825 7.017 2.698 1.00 1.40 C ATOM 896 NE ARG A 65 -10.055 6.211 2.766 1.00 2.02 N ATOM 897 CZ ARG A 65 -10.540 5.556 3.835 1.00 3.18 C ATOM 898 NH1 ARG A 65 -9.921 5.595 5.016 1.00 4.34 N ATOM 899 NH2 ARG A 65 -11.659 4.850 3.700 1.00 3.77 N ATOM 0 H ARG A 65 -4.056 7.322 2.133 1.00 0.35 H new ATOM 0 HA ARG A 65 -5.637 5.195 1.146 1.00 0.40 H new ATOM 0 HB2 ARG A 65 -6.096 7.081 2.901 1.00 0.53 H new ATOM 0 HB3 ARG A 65 -6.554 8.055 1.517 1.00 0.53 H new ATOM 0 HG2 ARG A 65 -8.160 6.285 0.785 1.00 0.96 H new ATOM 0 HG3 ARG A 65 -7.683 5.279 2.138 1.00 0.96 H new ATOM 0 HD2 ARG A 65 -8.418 7.163 3.699 1.00 1.40 H new ATOM 0 HD3 ARG A 65 -9.048 8.006 2.297 1.00 1.40 H new ATOM 0 HE ARG A 65 -10.600 6.142 1.906 1.00 2.02 H new ATOM 0 HH11 ARG A 65 -9.059 6.131 5.123 1.00 4.34 H new ATOM 0 HH12 ARG A 65 -10.309 5.089 5.812 1.00 4.34 H new ATOM 0 HH21 ARG A 65 -12.133 4.813 2.797 1.00 3.77 H new ATOM 0 HH22 ARG A 65 -12.043 4.346 4.499 1.00 3.77 H new ATOM 913 N ALA A 66 -5.314 7.780 -0.891 1.00 0.47 N ATOM 914 CA ALA A 66 -5.333 8.169 -2.289 1.00 0.57 C ATOM 915 C ALA A 66 -4.321 7.333 -3.087 1.00 0.48 C ATOM 916 O ALA A 66 -4.518 7.083 -4.273 1.00 0.46 O ATOM 917 CB ALA A 66 -5.055 9.661 -2.411 1.00 0.78 C ATOM 0 H ALA A 66 -5.037 8.527 -0.254 1.00 0.47 H new ATOM 0 HA ALA A 66 -6.320 7.975 -2.709 1.00 0.57 H new ATOM 0 HB1 ALA A 66 -5.070 9.949 -3.462 1.00 0.78 H new ATOM 0 HB2 ALA A 66 -5.820 10.219 -1.871 1.00 0.78 H new ATOM 0 HB3 ALA A 66 -4.076 9.884 -1.988 1.00 0.78 H new ATOM 923 N ALA A 67 -3.221 6.900 -2.469 1.00 0.49 N ATOM 924 CA ALA A 67 -2.249 6.027 -3.114 1.00 0.52 C ATOM 925 C ALA A 67 -2.904 4.704 -3.505 1.00 0.45 C ATOM 926 O ALA A 67 -2.802 4.280 -4.652 1.00 0.53 O ATOM 927 CB ALA A 67 -1.029 5.792 -2.222 1.00 0.64 C ATOM 0 H ALA A 67 -2.982 7.146 -1.508 1.00 0.49 H new ATOM 0 HA ALA A 67 -1.898 6.522 -4.020 1.00 0.52 H new ATOM 0 HB1 ALA A 67 -0.325 5.137 -2.734 1.00 0.64 H new ATOM 0 HB2 ALA A 67 -0.547 6.745 -2.007 1.00 0.64 H new ATOM 0 HB3 ALA A 67 -1.345 5.326 -1.289 1.00 0.64 H new ATOM 933 N VAL A 68 -3.609 4.042 -2.587 1.00 0.36 N ATOM 934 CA VAL A 68 -4.341 2.841 -2.966 1.00 0.34 C ATOM 935 C VAL A 68 -5.330 3.189 -4.069 1.00 0.36 C ATOM 936 O VAL A 68 -5.447 2.473 -5.057 1.00 0.43 O ATOM 937 CB VAL A 68 -5.051 2.176 -1.784 1.00 0.31 C ATOM 938 CG1 VAL A 68 -5.595 0.810 -2.228 1.00 0.31 C ATOM 939 CG2 VAL A 68 -4.078 1.943 -0.637 1.00 0.34 C ATOM 0 H VAL A 68 -3.686 4.309 -1.606 1.00 0.36 H new ATOM 0 HA VAL A 68 -3.619 2.110 -3.329 1.00 0.34 H new ATOM 0 HB VAL A 68 -5.857 2.831 -1.453 1.00 0.31 H new ATOM 0 HG11 VAL A 68 -6.102 0.331 -1.391 1.00 0.31 H new ATOM 0 HG12 VAL A 68 -6.300 0.948 -3.048 1.00 0.31 H new ATOM 0 HG13 VAL A 68 -4.770 0.180 -2.561 1.00 0.31 H new ATOM 0 HG21 VAL A 68 -4.601 1.470 0.194 1.00 0.34 H new ATOM 0 HG22 VAL A 68 -3.269 1.295 -0.973 1.00 0.34 H new ATOM 0 HG23 VAL A 68 -3.666 2.898 -0.310 1.00 0.34 H new ATOM 949 N GLN A 69 -6.029 4.307 -3.922 1.00 0.36 N ATOM 950 CA GLN A 69 -6.947 4.765 -4.945 1.00 0.45 C ATOM 951 C GLN A 69 -6.250 4.967 -6.302 1.00 0.53 C ATOM 952 O GLN A 69 -6.856 4.690 -7.333 1.00 0.61 O ATOM 953 CB GLN A 69 -7.733 5.965 -4.417 1.00 0.50 C ATOM 954 CG GLN A 69 -8.775 5.461 -3.414 1.00 0.67 C ATOM 955 CD GLN A 69 -9.574 6.513 -2.657 1.00 1.37 C ATOM 956 OE1 GLN A 69 -10.337 6.169 -1.755 1.00 2.64 O ATOM 957 NE2 GLN A 69 -9.442 7.786 -2.989 1.00 2.19 N ATOM 0 H GLN A 69 -5.974 4.911 -3.102 1.00 0.36 H new ATOM 0 HA GLN A 69 -7.684 3.992 -5.163 1.00 0.45 H new ATOM 0 HB2 GLN A 69 -7.061 6.677 -3.939 1.00 0.50 H new ATOM 0 HB3 GLN A 69 -8.221 6.489 -5.239 1.00 0.50 H new ATOM 0 HG2 GLN A 69 -9.478 4.822 -3.949 1.00 0.67 H new ATOM 0 HG3 GLN A 69 -8.265 4.833 -2.684 1.00 0.67 H new ATOM 0 HE21 GLN A 69 -8.805 8.054 -3.739 1.00 2.19 H new ATOM 0 HE22 GLN A 69 -9.977 8.500 -2.495 1.00 2.19 H new ATOM 966 N LEU A 70 -4.968 5.340 -6.344 1.00 0.56 N ATOM 967 CA LEU A 70 -4.235 5.438 -7.602 1.00 0.69 C ATOM 968 C LEU A 70 -4.131 4.035 -8.209 1.00 0.66 C ATOM 969 O LEU A 70 -4.217 3.858 -9.423 1.00 0.79 O ATOM 970 CB LEU A 70 -2.857 6.075 -7.353 1.00 0.81 C ATOM 971 CG LEU A 70 -1.839 5.962 -8.499 1.00 0.98 C ATOM 972 CD1 LEU A 70 -2.345 6.735 -9.719 1.00 1.62 C ATOM 973 CD2 LEU A 70 -0.495 6.540 -8.035 1.00 2.18 C ATOM 0 H LEU A 70 -4.419 5.579 -5.518 1.00 0.56 H new ATOM 0 HA LEU A 70 -4.756 6.081 -8.311 1.00 0.69 H new ATOM 0 HB2 LEU A 70 -3.004 7.131 -7.128 1.00 0.81 H new ATOM 0 HB3 LEU A 70 -2.424 5.617 -6.464 1.00 0.81 H new ATOM 0 HG LEU A 70 -1.710 4.915 -8.774 1.00 0.98 H new ATOM 0 HD11 LEU A 70 -1.620 6.652 -10.529 1.00 1.62 H new ATOM 0 HD12 LEU A 70 -3.299 6.320 -10.043 1.00 1.62 H new ATOM 0 HD13 LEU A 70 -2.476 7.785 -9.456 1.00 1.62 H new ATOM 0 HD21 LEU A 70 0.232 6.463 -8.843 1.00 2.18 H new ATOM 0 HD22 LEU A 70 -0.624 7.587 -7.761 1.00 2.18 H new ATOM 0 HD23 LEU A 70 -0.137 5.981 -7.171 1.00 2.18 H new ATOM 985 N TRP A 71 -3.957 3.013 -7.379 1.00 0.56 N ATOM 986 CA TRP A 71 -3.871 1.628 -7.830 1.00 0.57 C ATOM 987 C TRP A 71 -5.240 1.160 -8.328 1.00 0.54 C ATOM 988 O TRP A 71 -5.349 0.529 -9.378 1.00 0.67 O ATOM 989 CB TRP A 71 -3.300 0.745 -6.706 1.00 0.55 C ATOM 990 CG TRP A 71 -2.069 1.293 -6.042 1.00 0.55 C ATOM 991 CD1 TRP A 71 -1.280 2.248 -6.577 1.00 0.61 C ATOM 992 CD2 TRP A 71 -1.538 1.055 -4.697 1.00 0.51 C ATOM 993 NE1 TRP A 71 -0.401 2.697 -5.631 1.00 0.57 N ATOM 994 CE2 TRP A 71 -0.494 1.993 -4.452 1.00 0.51 C ATOM 995 CE3 TRP A 71 -1.836 0.162 -3.645 1.00 0.53 C ATOM 996 CZ2 TRP A 71 0.185 2.065 -3.225 1.00 0.53 C ATOM 997 CZ3 TRP A 71 -1.132 0.194 -2.427 1.00 0.57 C ATOM 998 CH2 TRP A 71 -0.135 1.156 -2.208 1.00 0.59 C ATOM 0 H TRP A 71 -3.871 3.122 -6.368 1.00 0.56 H new ATOM 0 HA TRP A 71 -3.184 1.546 -8.672 1.00 0.57 H new ATOM 0 HB2 TRP A 71 -4.071 0.600 -5.949 1.00 0.55 H new ATOM 0 HB3 TRP A 71 -3.068 -0.238 -7.117 1.00 0.55 H new ATOM 0 HD1 TRP A 71 -1.334 2.603 -7.596 1.00 0.61 H new ATOM 0 HE1 TRP A 71 0.250 3.467 -5.782 1.00 0.57 H new ATOM 0 HE3 TRP A 71 -2.624 -0.564 -3.778 1.00 0.53 H new ATOM 0 HZ2 TRP A 71 0.947 2.814 -3.067 1.00 0.53 H new ATOM 0 HZ3 TRP A 71 -1.361 -0.527 -1.656 1.00 0.57 H new ATOM 0 HH2 TRP A 71 0.383 1.196 -1.261 1.00 0.59 H new ATOM 1009 N VAL A 72 -6.284 1.493 -7.575 1.00 0.47 N ATOM 1010 CA VAL A 72 -7.659 1.130 -7.870 1.00 0.50 C ATOM 1011 C VAL A 72 -8.207 1.917 -9.063 1.00 0.54 C ATOM 1012 O VAL A 72 -9.150 1.457 -9.694 1.00 0.66 O ATOM 1013 CB VAL A 72 -8.514 1.304 -6.602 1.00 0.50 C ATOM 1014 CG1 VAL A 72 -10.018 1.109 -6.828 1.00 0.54 C ATOM 1015 CG2 VAL A 72 -8.065 0.295 -5.541 1.00 0.51 C ATOM 0 H VAL A 72 -6.190 2.039 -6.718 1.00 0.47 H new ATOM 0 HA VAL A 72 -7.699 0.082 -8.166 1.00 0.50 H new ATOM 0 HB VAL A 72 -8.362 2.335 -6.283 1.00 0.50 H new ATOM 0 HG11 VAL A 72 -10.549 1.249 -5.886 1.00 0.54 H new ATOM 0 HG12 VAL A 72 -10.374 1.838 -7.556 1.00 0.54 H new ATOM 0 HG13 VAL A 72 -10.202 0.102 -7.202 1.00 0.54 H new ATOM 0 HG21 VAL A 72 -8.670 0.418 -4.643 1.00 0.51 H new ATOM 0 HG22 VAL A 72 -8.189 -0.717 -5.926 1.00 0.51 H new ATOM 0 HG23 VAL A 72 -7.016 0.465 -5.298 1.00 0.51 H new ATOM 1025 N SER A 73 -7.664 3.089 -9.397 1.00 0.61 N ATOM 1026 CA SER A 73 -8.279 3.982 -10.378 1.00 0.81 C ATOM 1027 C SER A 73 -8.425 3.368 -11.779 1.00 0.74 C ATOM 1028 O SER A 73 -9.186 3.897 -12.589 1.00 0.94 O ATOM 1029 CB SER A 73 -7.542 5.324 -10.424 1.00 1.18 C ATOM 1030 OG SER A 73 -6.187 5.122 -10.761 1.00 1.88 O ATOM 0 H SER A 73 -6.794 3.443 -8.999 1.00 0.61 H new ATOM 0 HA SER A 73 -9.300 4.152 -10.035 1.00 0.81 H new ATOM 0 HB2 SER A 73 -8.013 5.981 -11.155 1.00 1.18 H new ATOM 0 HB3 SER A 73 -7.614 5.821 -9.456 1.00 1.18 H new ATOM 0 HG SER A 73 -5.747 4.606 -10.054 1.00 1.88 H new ATOM 1036 N GLU A 74 -7.754 2.249 -12.071 1.00 0.71 N ATOM 1037 CA GLU A 74 -8.027 1.402 -13.233 1.00 0.87 C ATOM 1038 C GLU A 74 -9.408 0.718 -13.163 1.00 0.86 C ATOM 1039 O GLU A 74 -9.753 -0.053 -14.051 1.00 1.25 O ATOM 1040 CB GLU A 74 -6.893 0.371 -13.360 1.00 1.02 C ATOM 1041 CG GLU A 74 -5.654 0.980 -14.048 1.00 2.02 C ATOM 1042 CD GLU A 74 -5.673 0.833 -15.566 1.00 3.14 C ATOM 1043 OE1 GLU A 74 -6.320 -0.114 -16.061 1.00 4.12 O ATOM 1044 OE2 GLU A 74 -4.992 1.643 -16.232 1.00 3.79 O ATOM 0 H GLU A 74 -6.990 1.901 -11.492 1.00 0.71 H new ATOM 0 HA GLU A 74 -8.061 2.031 -14.123 1.00 0.87 H new ATOM 0 HB2 GLU A 74 -6.619 0.006 -12.370 1.00 1.02 H new ATOM 0 HB3 GLU A 74 -7.243 -0.489 -13.932 1.00 1.02 H new ATOM 0 HG2 GLU A 74 -5.589 2.038 -13.793 1.00 2.02 H new ATOM 0 HG3 GLU A 74 -4.757 0.502 -13.655 1.00 2.02 H new ATOM 1051 N ARG A 75 -10.219 1.003 -12.143 1.00 0.74 N ATOM 1052 CA ARG A 75 -11.574 0.508 -11.949 1.00 0.91 C ATOM 1053 C ARG A 75 -12.363 0.306 -13.250 1.00 1.17 C ATOM 1054 O ARG A 75 -12.805 -0.815 -13.481 1.00 1.25 O ATOM 1055 CB ARG A 75 -12.310 1.384 -10.930 1.00 1.05 C ATOM 1056 CG ARG A 75 -13.685 0.804 -10.586 1.00 1.18 C ATOM 1057 CD ARG A 75 -14.258 1.542 -9.375 1.00 1.45 C ATOM 1058 NE ARG A 75 -15.581 1.004 -9.017 1.00 2.03 N ATOM 1059 CZ ARG A 75 -15.973 0.587 -7.803 1.00 3.07 C ATOM 1060 NH1 ARG A 75 -15.126 0.625 -6.773 1.00 3.82 N ATOM 1061 NH2 ARG A 75 -17.209 0.133 -7.619 1.00 4.27 N ATOM 0 H ARG A 75 -9.926 1.623 -11.388 1.00 0.74 H new ATOM 0 HA ARG A 75 -11.492 -0.500 -11.541 1.00 0.91 H new ATOM 0 HB2 ARG A 75 -11.712 1.470 -10.023 1.00 1.05 H new ATOM 0 HB3 ARG A 75 -12.428 2.391 -11.331 1.00 1.05 H new ATOM 0 HG2 ARG A 75 -14.357 0.903 -11.438 1.00 1.18 H new ATOM 0 HG3 ARG A 75 -13.599 -0.261 -10.370 1.00 1.18 H new ATOM 0 HD2 ARG A 75 -13.579 1.444 -8.528 1.00 1.45 H new ATOM 0 HD3 ARG A 75 -14.340 2.606 -9.597 1.00 1.45 H new ATOM 0 HE ARG A 75 -16.269 0.942 -9.767 1.00 2.03 H new ATOM 0 HH11 ARG A 75 -14.176 0.972 -6.906 1.00 3.82 H new ATOM 0 HH12 ARG A 75 -15.428 0.307 -5.852 1.00 3.82 H new ATOM 0 HH21 ARG A 75 -17.862 0.101 -8.402 1.00 4.27 H new ATOM 0 HH22 ARG A 75 -17.504 -0.183 -6.695 1.00 4.27 H new ATOM 1075 N PRO A 76 -12.539 1.317 -14.117 1.00 1.40 N ATOM 1076 CA PRO A 76 -13.248 1.140 -15.374 1.00 1.70 C ATOM 1077 C PRO A 76 -12.699 -0.013 -16.232 1.00 1.73 C ATOM 1078 O PRO A 76 -13.475 -0.733 -16.851 1.00 2.25 O ATOM 1079 CB PRO A 76 -13.203 2.505 -16.069 1.00 1.89 C ATOM 1080 CG PRO A 76 -12.043 3.236 -15.397 1.00 1.57 C ATOM 1081 CD PRO A 76 -12.136 2.705 -13.973 1.00 1.48 C ATOM 0 HA PRO A 76 -14.279 0.830 -15.201 1.00 1.70 H new ATOM 0 HB2 PRO A 76 -13.038 2.400 -17.141 1.00 1.89 H new ATOM 0 HB3 PRO A 76 -14.141 3.046 -15.942 1.00 1.89 H new ATOM 0 HG2 PRO A 76 -11.085 3.000 -15.861 1.00 1.57 H new ATOM 0 HG3 PRO A 76 -12.160 4.319 -15.440 1.00 1.57 H new ATOM 0 HD2 PRO A 76 -11.179 2.787 -13.458 1.00 1.48 H new ATOM 0 HD3 PRO A 76 -12.863 3.269 -13.388 1.00 1.48 H new ATOM 1089 N SER A 77 -11.380 -0.223 -16.281 1.00 1.50 N ATOM 1090 CA SER A 77 -10.796 -1.374 -16.951 1.00 1.61 C ATOM 1091 C SER A 77 -10.760 -2.623 -16.075 1.00 1.53 C ATOM 1092 O SER A 77 -10.577 -3.717 -16.596 1.00 1.63 O ATOM 1093 CB SER A 77 -9.393 -1.030 -17.459 1.00 1.76 C ATOM 1094 OG SER A 77 -8.912 0.184 -16.894 1.00 2.08 O ATOM 0 H SER A 77 -10.694 0.402 -15.857 1.00 1.50 H new ATOM 0 HA SER A 77 -11.443 -1.611 -17.796 1.00 1.61 H new ATOM 0 HB2 SER A 77 -8.708 -1.842 -17.214 1.00 1.76 H new ATOM 0 HB3 SER A 77 -9.410 -0.944 -18.545 1.00 1.76 H new ATOM 0 HG SER A 77 -7.952 0.104 -16.716 1.00 2.08 H new ATOM 1100 N TYR A 78 -10.924 -2.513 -14.768 1.00 1.45 N ATOM 1101 CA TYR A 78 -10.928 -3.679 -13.910 1.00 1.42 C ATOM 1102 C TYR A 78 -12.338 -4.259 -13.940 1.00 1.36 C ATOM 1103 O TYR A 78 -13.322 -3.546 -13.742 1.00 1.55 O ATOM 1104 CB TYR A 78 -10.474 -3.273 -12.509 1.00 1.64 C ATOM 1105 CG TYR A 78 -11.017 -4.131 -11.395 1.00 0.86 C ATOM 1106 CD1 TYR A 78 -10.359 -5.317 -11.029 1.00 2.23 C ATOM 1107 CD2 TYR A 78 -12.153 -3.703 -10.685 1.00 1.88 C ATOM 1108 CE1 TYR A 78 -10.741 -5.981 -9.855 1.00 3.10 C ATOM 1109 CE2 TYR A 78 -12.522 -4.359 -9.505 1.00 1.85 C ATOM 1110 CZ TYR A 78 -11.750 -5.435 -9.045 1.00 2.32 C ATOM 1111 OH TYR A 78 -11.839 -5.837 -7.753 1.00 3.46 O ATOM 0 H TYR A 78 -11.056 -1.627 -14.280 1.00 1.45 H new ATOM 0 HA TYR A 78 -10.233 -4.447 -14.249 1.00 1.42 H new ATOM 0 HB2 TYR A 78 -9.385 -3.302 -12.473 1.00 1.64 H new ATOM 0 HB3 TYR A 78 -10.772 -2.240 -12.331 1.00 1.64 H new ATOM 0 HD1 TYR A 78 -9.566 -5.713 -11.646 1.00 2.23 H new ATOM 0 HD2 TYR A 78 -12.738 -2.871 -11.049 1.00 1.88 H new ATOM 0 HE1 TYR A 78 -10.262 -6.908 -9.575 1.00 3.10 H new ATOM 0 HE2 TYR A 78 -13.394 -4.039 -8.954 1.00 1.85 H new ATOM 0 HH TYR A 78 -12.068 -5.070 -7.187 1.00 3.46 H new ATOM 1121 N ASN A 79 -12.445 -5.557 -14.217 1.00 1.25 N ATOM 1122 CA ASN A 79 -13.719 -6.248 -14.276 1.00 1.29 C ATOM 1123 C ASN A 79 -13.462 -7.717 -14.011 1.00 1.15 C ATOM 1124 O ASN A 79 -12.336 -8.173 -14.221 1.00 1.80 O ATOM 1125 CB ASN A 79 -14.362 -6.072 -15.653 1.00 1.53 C ATOM 1126 CG ASN A 79 -15.852 -6.359 -15.535 1.00 1.95 C ATOM 1127 OD1 ASN A 79 -16.596 -5.530 -15.025 1.00 2.92 O ATOM 1128 ND2 ASN A 79 -16.307 -7.544 -15.913 1.00 2.66 N ATOM 0 H ASN A 79 -11.642 -6.157 -14.407 1.00 1.25 H new ATOM 0 HA ASN A 79 -14.401 -5.837 -13.532 1.00 1.29 H new ATOM 0 HB2 ASN A 79 -14.200 -5.058 -16.019 1.00 1.53 H new ATOM 0 HB3 ASN A 79 -13.903 -6.748 -16.374 1.00 1.53 H new ATOM 0 HD21 ASN A 79 -17.291 -7.778 -15.781 1.00 2.66 H new ATOM 0 HD22 ASN A 79 -15.673 -8.222 -16.336 1.00 2.66 H new ATOM 1135 N TYR A 80 -14.468 -8.467 -13.566 1.00 1.06 N ATOM 1136 CA TYR A 80 -14.412 -9.914 -13.609 1.00 0.95 C ATOM 1137 C TYR A 80 -14.781 -10.308 -15.043 1.00 1.31 C ATOM 1138 O TYR A 80 -14.447 -9.574 -15.972 1.00 2.37 O ATOM 1139 CB TYR A 80 -15.291 -10.500 -12.489 1.00 1.17 C ATOM 1140 CG TYR A 80 -14.677 -11.651 -11.703 1.00 1.28 C ATOM 1141 CD1 TYR A 80 -14.085 -12.748 -12.358 1.00 2.53 C ATOM 1142 CD2 TYR A 80 -14.739 -11.648 -10.297 1.00 2.03 C ATOM 1143 CE1 TYR A 80 -13.665 -13.870 -11.623 1.00 2.80 C ATOM 1144 CE2 TYR A 80 -14.196 -12.715 -9.561 1.00 2.17 C ATOM 1145 CZ TYR A 80 -13.744 -13.864 -10.223 1.00 1.93 C ATOM 1146 OH TYR A 80 -13.373 -14.963 -9.512 1.00 2.34 O ATOM 0 H TYR A 80 -15.330 -8.089 -13.172 1.00 1.06 H new ATOM 0 HA TYR A 80 -13.427 -10.332 -13.402 1.00 0.95 H new ATOM 0 HB2 TYR A 80 -15.540 -9.700 -11.792 1.00 1.17 H new ATOM 0 HB3 TYR A 80 -16.227 -10.843 -12.929 1.00 1.17 H new ATOM 0 HD1 TYR A 80 -13.953 -12.727 -13.430 1.00 2.53 H new ATOM 0 HD2 TYR A 80 -15.206 -10.822 -9.781 1.00 2.03 H new ATOM 0 HE1 TYR A 80 -13.281 -14.738 -12.137 1.00 2.80 H new ATOM 0 HE2 TYR A 80 -14.127 -12.649 -8.485 1.00 2.17 H new ATOM 0 HH TYR A 80 -12.928 -14.683 -8.685 1.00 2.34 H new ATOM 1156 N ALA A 81 -15.358 -11.483 -15.258 1.00 1.64 N ATOM 1157 CA ALA A 81 -15.791 -12.056 -16.516 1.00 1.93 C ATOM 1158 C ALA A 81 -14.569 -12.701 -17.147 1.00 2.16 C ATOM 1159 O ALA A 81 -14.499 -13.905 -17.358 1.00 2.63 O ATOM 1160 CB ALA A 81 -16.542 -11.056 -17.384 1.00 2.02 C ATOM 0 H ALA A 81 -15.550 -12.114 -14.480 1.00 1.64 H new ATOM 0 HA ALA A 81 -16.544 -12.831 -16.371 1.00 1.93 H new ATOM 0 HB1 ALA A 81 -16.844 -11.537 -18.315 1.00 2.02 H new ATOM 0 HB2 ALA A 81 -17.427 -10.706 -16.853 1.00 2.02 H new ATOM 0 HB3 ALA A 81 -15.894 -10.209 -17.607 1.00 2.02 H new ATOM 1166 N THR A 82 -13.559 -11.858 -17.319 1.00 2.10 N ATOM 1167 CA THR A 82 -12.287 -12.120 -17.953 1.00 2.59 C ATOM 1168 C THR A 82 -11.302 -12.522 -16.859 1.00 2.25 C ATOM 1169 O THR A 82 -10.474 -13.411 -17.045 1.00 2.30 O ATOM 1170 CB THR A 82 -11.845 -10.811 -18.627 1.00 3.25 C ATOM 1171 OG1 THR A 82 -11.563 -9.832 -17.637 1.00 3.38 O ATOM 1172 CG2 THR A 82 -12.971 -10.264 -19.510 1.00 3.62 C ATOM 0 H THR A 82 -13.621 -10.895 -16.989 1.00 2.10 H new ATOM 0 HA THR A 82 -12.342 -12.916 -18.695 1.00 2.59 H new ATOM 0 HB THR A 82 -10.960 -11.020 -19.227 1.00 3.25 H new ATOM 0 HG1 THR A 82 -10.968 -9.150 -18.012 1.00 3.38 H new ATOM 0 HG21 THR A 82 -12.646 -9.337 -19.982 1.00 3.62 H new ATOM 0 HG22 THR A 82 -13.218 -10.995 -20.279 1.00 3.62 H new ATOM 0 HG23 THR A 82 -13.852 -10.070 -18.898 1.00 3.62 H new ATOM 1180 N ASN A 83 -11.419 -11.849 -15.704 1.00 2.12 N ATOM 1181 CA ASN A 83 -10.572 -12.031 -14.531 1.00 1.92 C ATOM 1182 C ASN A 83 -9.148 -11.575 -14.849 1.00 1.93 C ATOM 1183 O ASN A 83 -8.182 -12.144 -14.343 1.00 2.18 O ATOM 1184 CB ASN A 83 -10.652 -13.491 -14.060 1.00 1.92 C ATOM 1185 CG ASN A 83 -9.863 -13.787 -12.795 1.00 1.81 C ATOM 1186 OD1 ASN A 83 -8.909 -14.565 -12.818 1.00 2.22 O ATOM 1187 ND2 ASN A 83 -10.290 -13.230 -11.675 1.00 1.83 N ATOM 0 H ASN A 83 -12.136 -11.137 -15.563 1.00 2.12 H new ATOM 0 HA ASN A 83 -10.922 -11.413 -13.704 1.00 1.92 H new ATOM 0 HB2 ASN A 83 -11.697 -13.748 -13.890 1.00 1.92 H new ATOM 0 HB3 ASN A 83 -10.290 -14.138 -14.859 1.00 1.92 H new ATOM 0 HD21 ASN A 83 -9.826 -13.440 -10.792 1.00 1.83 H new ATOM 0 HD22 ASN A 83 -11.084 -12.590 -11.694 1.00 1.83 H new ATOM 1194 N GLN A 84 -9.010 -10.572 -15.724 1.00 1.81 N ATOM 1195 CA GLN A 84 -7.712 -10.086 -16.192 1.00 1.88 C ATOM 1196 C GLN A 84 -7.811 -8.597 -16.512 1.00 1.82 C ATOM 1197 O GLN A 84 -7.082 -8.092 -17.367 1.00 3.50 O ATOM 1198 CB GLN A 84 -7.253 -10.868 -17.439 1.00 2.11 C ATOM 1199 CG GLN A 84 -7.006 -12.344 -17.119 1.00 3.23 C ATOM 1200 CD GLN A 84 -6.449 -13.151 -18.281 1.00 3.77 C ATOM 1201 OE1 GLN A 84 -7.013 -14.180 -18.643 1.00 4.25 O ATOM 1202 NE2 GLN A 84 -5.330 -12.729 -18.854 1.00 4.71 N ATOM 0 H GLN A 84 -9.803 -10.073 -16.128 1.00 1.81 H new ATOM 0 HA GLN A 84 -6.974 -10.240 -15.404 1.00 1.88 H new ATOM 0 HB2 GLN A 84 -8.009 -10.786 -18.219 1.00 2.11 H new ATOM 0 HB3 GLN A 84 -6.339 -10.423 -17.833 1.00 2.11 H new ATOM 0 HG2 GLN A 84 -6.313 -12.411 -16.280 1.00 3.23 H new ATOM 0 HG3 GLN A 84 -7.944 -12.795 -16.795 1.00 3.23 H new ATOM 0 HE21 GLN A 84 -4.884 -11.870 -18.531 1.00 4.71 H new ATOM 0 HE22 GLN A 84 -4.915 -13.263 -19.617 1.00 4.71 H new ATOM 1211 N CYS A 85 -8.707 -7.888 -15.827 1.00 1.79 N ATOM 1212 CA CYS A 85 -9.147 -6.565 -16.232 1.00 1.89 C ATOM 1213 C CYS A 85 -9.583 -6.606 -17.707 1.00 1.78 C ATOM 1214 O CYS A 85 -9.916 -7.679 -18.216 1.00 2.64 O ATOM 1215 CB CYS A 85 -8.059 -5.541 -15.896 1.00 2.35 C ATOM 1216 SG CYS A 85 -7.571 -5.466 -14.156 1.00 2.65 S ATOM 0 H CYS A 85 -9.148 -8.223 -14.970 1.00 1.79 H new ATOM 0 HA CYS A 85 -10.027 -6.240 -15.677 1.00 1.89 H new ATOM 0 HB2 CYS A 85 -7.176 -5.766 -16.494 1.00 2.35 H new ATOM 0 HB3 CYS A 85 -8.407 -4.554 -16.201 1.00 2.35 H new ATOM 1221 N VAL A 86 -9.658 -5.466 -18.390 1.00 1.51 N ATOM 1222 CA VAL A 86 -10.324 -5.358 -19.682 1.00 1.44 C ATOM 1223 C VAL A 86 -9.284 -4.850 -20.677 1.00 1.80 C ATOM 1224 O VAL A 86 -8.564 -3.888 -20.393 1.00 2.36 O ATOM 1225 CB VAL A 86 -11.472 -4.342 -19.576 1.00 1.44 C ATOM 1226 CG1 VAL A 86 -11.912 -3.701 -20.898 1.00 1.59 C ATOM 1227 CG2 VAL A 86 -12.660 -4.875 -18.775 1.00 1.38 C ATOM 0 H VAL A 86 -9.256 -4.589 -18.060 1.00 1.51 H new ATOM 0 HA VAL A 86 -10.732 -6.318 -19.999 1.00 1.44 H new ATOM 0 HB VAL A 86 -11.032 -3.520 -19.011 1.00 1.44 H new ATOM 0 HG11 VAL A 86 -12.726 -3.001 -20.710 1.00 1.59 H new ATOM 0 HG12 VAL A 86 -11.071 -3.168 -21.342 1.00 1.59 H new ATOM 0 HG13 VAL A 86 -12.252 -4.477 -21.583 1.00 1.59 H new ATOM 0 HG21 VAL A 86 -13.441 -4.115 -18.733 1.00 1.38 H new ATOM 0 HG22 VAL A 86 -13.051 -5.771 -19.257 1.00 1.38 H new ATOM 0 HG23 VAL A 86 -12.336 -5.119 -17.763 1.00 1.38 H new ATOM 1295 N CYS A 91 -3.514 -2.196 -15.682 1.00 1.44 N ATOM 1296 CA CYS A 91 -4.314 -2.628 -14.533 1.00 1.25 C ATOM 1297 C CYS A 91 -3.527 -3.561 -13.611 1.00 1.28 C ATOM 1298 O CYS A 91 -4.065 -4.436 -12.939 1.00 2.40 O ATOM 1299 CB CYS A 91 -5.535 -3.373 -15.072 1.00 1.41 C ATOM 1300 SG CYS A 91 -6.889 -3.508 -13.893 1.00 3.34 S ATOM 0 HA CYS A 91 -4.600 -1.752 -13.950 1.00 1.25 H new ATOM 0 HB2 CYS A 91 -5.894 -2.862 -15.965 1.00 1.41 H new ATOM 0 HB3 CYS A 91 -5.231 -4.374 -15.377 1.00 1.41 H new ATOM 1305 N ARG A 92 -2.216 -3.334 -13.552 1.00 0.84 N ATOM 1306 CA ARG A 92 -1.287 -4.146 -12.788 1.00 0.78 C ATOM 1307 C ARG A 92 -1.454 -3.861 -11.299 1.00 1.11 C ATOM 1308 O ARG A 92 -1.371 -4.740 -10.444 1.00 2.44 O ATOM 1309 CB ARG A 92 0.137 -3.831 -13.285 1.00 0.99 C ATOM 1310 CG ARG A 92 1.224 -4.826 -12.856 1.00 1.45 C ATOM 1311 CD ARG A 92 0.716 -6.251 -13.078 1.00 1.02 C ATOM 1312 NE ARG A 92 1.790 -7.235 -13.266 1.00 1.48 N ATOM 1313 CZ ARG A 92 1.560 -8.553 -13.363 1.00 2.45 C ATOM 1314 NH1 ARG A 92 0.321 -9.026 -13.246 1.00 3.52 N ATOM 1315 NH2 ARG A 92 2.568 -9.401 -13.536 1.00 2.86 N ATOM 0 H ARG A 92 -1.766 -2.563 -14.046 1.00 0.84 H new ATOM 0 HA ARG A 92 -1.482 -5.209 -12.930 1.00 0.78 H new ATOM 0 HB2 ARG A 92 0.121 -3.785 -14.374 1.00 0.99 H new ATOM 0 HB3 ARG A 92 0.416 -2.839 -12.928 1.00 0.99 H new ATOM 0 HG2 ARG A 92 2.135 -4.658 -13.431 1.00 1.45 H new ATOM 0 HG3 ARG A 92 1.477 -4.677 -11.806 1.00 1.45 H new ATOM 0 HD2 ARG A 92 0.108 -6.548 -12.224 1.00 1.02 H new ATOM 0 HD3 ARG A 92 0.065 -6.264 -13.953 1.00 1.02 H new ATOM 0 HE ARG A 92 2.752 -6.902 -13.325 1.00 1.48 H new ATOM 0 HH11 ARG A 92 -0.456 -8.386 -13.082 1.00 3.52 H new ATOM 0 HH12 ARG A 92 0.149 -10.029 -13.320 1.00 3.52 H new ATOM 0 HH21 ARG A 92 3.524 -9.051 -13.596 1.00 2.86 H new ATOM 0 HH22 ARG A 92 2.386 -10.402 -13.609 1.00 2.86 H new ATOM 1329 N HIS A 93 -1.653 -2.591 -10.970 1.00 0.62 N ATOM 1330 CA HIS A 93 -1.667 -2.160 -9.585 1.00 0.58 C ATOM 1331 C HIS A 93 -2.962 -2.599 -8.909 1.00 0.55 C ATOM 1332 O HIS A 93 -2.944 -3.013 -7.750 1.00 0.72 O ATOM 1333 CB HIS A 93 -1.449 -0.651 -9.550 1.00 0.69 C ATOM 1334 CG HIS A 93 -0.193 -0.232 -10.272 1.00 0.83 C ATOM 1335 ND1 HIS A 93 -0.063 0.908 -11.042 1.00 1.26 N ATOM 1336 CD2 HIS A 93 1.034 -0.847 -10.199 1.00 1.02 C ATOM 1337 CE1 HIS A 93 1.221 1.001 -11.421 1.00 1.65 C ATOM 1338 NE2 HIS A 93 1.901 -0.048 -10.923 1.00 1.51 N ATOM 0 H HIS A 93 -1.807 -1.844 -11.647 1.00 0.62 H new ATOM 0 HA HIS A 93 -0.861 -2.628 -9.020 1.00 0.58 H new ATOM 0 HB2 HIS A 93 -2.307 -0.153 -10.001 1.00 0.69 H new ATOM 0 HB3 HIS A 93 -1.396 -0.319 -8.513 1.00 0.69 H new ATOM 0 HD2 HIS A 93 1.272 -1.765 -9.683 1.00 1.02 H new ATOM 0 HE1 HIS A 93 1.641 1.790 -12.027 1.00 1.65 H new ATOM 0 HE2 HIS A 93 2.896 -0.226 -11.058 1.00 1.51 H new ATOM 1347 N TYR A 94 -4.077 -2.547 -9.642 1.00 0.48 N ATOM 1348 CA TYR A 94 -5.357 -3.022 -9.143 1.00 0.45 C ATOM 1349 C TYR A 94 -5.227 -4.488 -8.738 1.00 0.41 C ATOM 1350 O TYR A 94 -5.589 -4.860 -7.625 1.00 0.44 O ATOM 1351 CB TYR A 94 -6.458 -2.830 -10.196 1.00 0.52 C ATOM 1352 CG TYR A 94 -7.872 -2.823 -9.639 1.00 0.94 C ATOM 1353 CD1 TYR A 94 -8.306 -3.831 -8.757 1.00 1.68 C ATOM 1354 CD2 TYR A 94 -8.726 -1.738 -9.906 1.00 2.88 C ATOM 1355 CE1 TYR A 94 -9.435 -3.624 -7.954 1.00 2.07 C ATOM 1356 CE2 TYR A 94 -9.930 -1.602 -9.197 1.00 3.60 C ATOM 1357 CZ TYR A 94 -10.250 -2.506 -8.173 1.00 2.66 C ATOM 1358 OH TYR A 94 -11.374 -2.330 -7.423 1.00 3.55 O ATOM 0 H TYR A 94 -4.112 -2.176 -10.591 1.00 0.48 H new ATOM 0 HA TYR A 94 -5.642 -2.439 -8.267 1.00 0.45 H new ATOM 0 HB2 TYR A 94 -6.283 -1.890 -10.718 1.00 0.52 H new ATOM 0 HB3 TYR A 94 -6.377 -3.626 -10.936 1.00 0.52 H new ATOM 0 HD1 TYR A 94 -7.768 -4.765 -8.699 1.00 1.68 H new ATOM 0 HD2 TYR A 94 -8.456 -1.010 -10.656 1.00 2.88 H new ATOM 0 HE1 TYR A 94 -9.676 -4.324 -7.168 1.00 2.07 H new ATOM 0 HE2 TYR A 94 -10.611 -0.800 -9.440 1.00 3.60 H new ATOM 0 HH TYR A 94 -12.091 -2.900 -7.770 1.00 3.55 H new ATOM 1368 N THR A 95 -4.719 -5.341 -9.626 1.00 0.40 N ATOM 1369 CA THR A 95 -4.639 -6.756 -9.315 1.00 0.44 C ATOM 1370 C THR A 95 -3.874 -6.981 -8.010 1.00 0.43 C ATOM 1371 O THR A 95 -4.309 -7.775 -7.185 1.00 0.57 O ATOM 1372 CB THR A 95 -4.059 -7.524 -10.506 1.00 0.68 C ATOM 1373 OG1 THR A 95 -2.961 -6.834 -11.066 1.00 0.87 O ATOM 1374 CG2 THR A 95 -5.122 -7.642 -11.601 1.00 0.97 C ATOM 0 H THR A 95 -4.365 -5.079 -10.546 1.00 0.40 H new ATOM 0 HA THR A 95 -5.640 -7.153 -9.146 1.00 0.44 H new ATOM 0 HB THR A 95 -3.742 -8.503 -10.148 1.00 0.68 H new ATOM 0 HG1 THR A 95 -2.136 -7.110 -10.614 1.00 0.87 H new ATOM 0 HG21 THR A 95 -4.711 -8.188 -12.450 1.00 0.97 H new ATOM 0 HG22 THR A 95 -5.988 -8.176 -11.211 1.00 0.97 H new ATOM 0 HG23 THR A 95 -5.425 -6.646 -11.923 1.00 0.97 H new ATOM 1382 N GLN A 96 -2.788 -6.242 -7.781 1.00 0.43 N ATOM 1383 CA GLN A 96 -2.057 -6.342 -6.528 1.00 0.51 C ATOM 1384 C GLN A 96 -2.919 -5.887 -5.341 1.00 0.55 C ATOM 1385 O GLN A 96 -2.811 -6.470 -4.267 1.00 0.75 O ATOM 1386 CB GLN A 96 -0.740 -5.565 -6.644 1.00 0.64 C ATOM 1387 CG GLN A 96 0.070 -5.502 -5.346 1.00 1.06 C ATOM 1388 CD GLN A 96 0.580 -6.870 -4.909 1.00 1.00 C ATOM 1389 OE1 GLN A 96 1.684 -7.266 -5.269 1.00 1.99 O ATOM 1390 NE2 GLN A 96 -0.218 -7.618 -4.162 1.00 0.75 N ATOM 0 H GLN A 96 -2.401 -5.572 -8.446 1.00 0.43 H new ATOM 0 HA GLN A 96 -1.811 -7.386 -6.331 1.00 0.51 H new ATOM 0 HB2 GLN A 96 -0.127 -6.025 -7.419 1.00 0.64 H new ATOM 0 HB3 GLN A 96 -0.959 -4.549 -6.972 1.00 0.64 H new ATOM 0 HG2 GLN A 96 0.916 -4.829 -5.482 1.00 1.06 H new ATOM 0 HG3 GLN A 96 -0.550 -5.079 -4.555 1.00 1.06 H new ATOM 0 HE21 GLN A 96 -1.131 -7.263 -3.877 1.00 0.75 H new ATOM 0 HE22 GLN A 96 0.080 -8.549 -3.871 1.00 0.75 H new ATOM 1399 N VAL A 97 -3.767 -4.868 -5.507 1.00 0.43 N ATOM 1400 CA VAL A 97 -4.688 -4.445 -4.455 1.00 0.40 C ATOM 1401 C VAL A 97 -5.647 -5.580 -4.103 1.00 0.42 C ATOM 1402 O VAL A 97 -5.967 -5.794 -2.935 1.00 0.54 O ATOM 1403 CB VAL A 97 -5.460 -3.177 -4.875 1.00 0.37 C ATOM 1404 CG1 VAL A 97 -6.759 -2.984 -4.089 1.00 0.57 C ATOM 1405 CG2 VAL A 97 -4.588 -1.950 -4.652 1.00 0.63 C ATOM 0 H VAL A 97 -3.833 -4.320 -6.365 1.00 0.43 H new ATOM 0 HA VAL A 97 -4.107 -4.199 -3.566 1.00 0.40 H new ATOM 0 HB VAL A 97 -5.714 -3.302 -5.928 1.00 0.37 H new ATOM 0 HG11 VAL A 97 -7.258 -2.076 -4.428 1.00 0.57 H new ATOM 0 HG12 VAL A 97 -7.413 -3.840 -4.252 1.00 0.57 H new ATOM 0 HG13 VAL A 97 -6.532 -2.898 -3.026 1.00 0.57 H new ATOM 0 HG21 VAL A 97 -5.135 -1.056 -4.949 1.00 0.63 H new ATOM 0 HG22 VAL A 97 -4.323 -1.879 -3.597 1.00 0.63 H new ATOM 0 HG23 VAL A 97 -3.680 -2.035 -5.249 1.00 0.63 H new ATOM 1415 N VAL A 98 -6.139 -6.281 -5.118 1.00 0.35 N ATOM 1416 CA VAL A 98 -7.164 -7.287 -4.918 1.00 0.37 C ATOM 1417 C VAL A 98 -6.582 -8.629 -4.494 1.00 0.49 C ATOM 1418 O VAL A 98 -7.283 -9.386 -3.831 1.00 0.78 O ATOM 1419 CB VAL A 98 -8.057 -7.370 -6.174 1.00 0.37 C ATOM 1420 CG1 VAL A 98 -7.938 -8.687 -6.939 1.00 0.53 C ATOM 1421 CG2 VAL A 98 -9.514 -7.209 -5.762 1.00 0.38 C ATOM 0 H VAL A 98 -5.841 -6.168 -6.087 1.00 0.35 H new ATOM 0 HA VAL A 98 -7.797 -6.988 -4.083 1.00 0.37 H new ATOM 0 HB VAL A 98 -7.716 -6.574 -6.836 1.00 0.37 H new ATOM 0 HG11 VAL A 98 -8.597 -8.664 -7.807 1.00 0.53 H new ATOM 0 HG12 VAL A 98 -6.908 -8.824 -7.269 1.00 0.53 H new ATOM 0 HG13 VAL A 98 -8.224 -9.513 -6.288 1.00 0.53 H new ATOM 0 HG21 VAL A 98 -10.150 -7.267 -6.645 1.00 0.38 H new ATOM 0 HG22 VAL A 98 -9.785 -8.003 -5.067 1.00 0.38 H new ATOM 0 HG23 VAL A 98 -9.651 -6.242 -5.279 1.00 0.38 H new ATOM 1431 N TRP A 99 -5.343 -8.910 -4.895 1.00 0.41 N ATOM 1432 CA TRP A 99 -4.754 -10.233 -4.987 1.00 0.42 C ATOM 1433 C TRP A 99 -5.231 -11.208 -3.905 1.00 0.43 C ATOM 1434 O TRP A 99 -4.664 -11.277 -2.821 1.00 0.55 O ATOM 1435 CB TRP A 99 -3.229 -10.114 -4.984 1.00 0.45 C ATOM 1436 CG TRP A 99 -2.584 -11.278 -5.647 1.00 0.53 C ATOM 1437 CD1 TRP A 99 -2.208 -12.427 -5.048 1.00 0.73 C ATOM 1438 CD2 TRP A 99 -2.325 -11.453 -7.065 1.00 0.62 C ATOM 1439 NE1 TRP A 99 -1.692 -13.287 -5.994 1.00 0.88 N ATOM 1440 CE2 TRP A 99 -1.754 -12.742 -7.263 1.00 0.79 C ATOM 1441 CE3 TRP A 99 -2.478 -10.628 -8.200 1.00 0.77 C ATOM 1442 CZ2 TRP A 99 -1.354 -13.182 -8.531 1.00 0.96 C ATOM 1443 CZ3 TRP A 99 -2.076 -11.061 -9.475 1.00 0.98 C ATOM 1444 CH2 TRP A 99 -1.543 -12.348 -9.645 1.00 1.01 C ATOM 0 H TRP A 99 -4.693 -8.177 -5.178 1.00 0.41 H new ATOM 0 HA TRP A 99 -5.095 -10.664 -5.928 1.00 0.42 H new ATOM 0 HB2 TRP A 99 -2.935 -9.196 -5.493 1.00 0.45 H new ATOM 0 HB3 TRP A 99 -2.872 -10.037 -3.957 1.00 0.45 H new ATOM 0 HD1 TRP A 99 -2.297 -12.640 -3.993 1.00 0.73 H new ATOM 0 HE1 TRP A 99 -1.312 -14.210 -5.784 1.00 0.88 H new ATOM 0 HE3 TRP A 99 -2.912 -9.646 -8.086 1.00 0.77 H new ATOM 0 HZ2 TRP A 99 -0.903 -14.156 -8.651 1.00 0.96 H new ATOM 0 HZ3 TRP A 99 -2.177 -10.403 -10.325 1.00 0.98 H new ATOM 0 HH2 TRP A 99 -1.278 -12.697 -10.632 1.00 1.01 H new ATOM 1455 N ARG A 100 -6.250 -11.993 -4.252 1.00 0.48 N ATOM 1456 CA ARG A 100 -6.919 -12.943 -3.386 1.00 0.51 C ATOM 1457 C ARG A 100 -5.917 -13.797 -2.622 1.00 0.51 C ATOM 1458 O ARG A 100 -6.025 -13.935 -1.407 1.00 0.57 O ATOM 1459 CB ARG A 100 -7.900 -13.772 -4.231 1.00 0.64 C ATOM 1460 CG ARG A 100 -8.605 -14.845 -3.395 1.00 0.81 C ATOM 1461 CD ARG A 100 -9.950 -15.303 -3.979 1.00 1.81 C ATOM 1462 NE ARG A 100 -9.867 -15.704 -5.397 1.00 3.01 N ATOM 1463 CZ ARG A 100 -10.473 -16.771 -5.949 1.00 4.10 C ATOM 1464 NH1 ARG A 100 -10.880 -17.796 -5.201 1.00 4.32 N ATOM 1465 NH2 ARG A 100 -10.691 -16.792 -7.262 1.00 5.67 N ATOM 0 H ARG A 100 -6.645 -11.977 -5.192 1.00 0.48 H new ATOM 0 HA ARG A 100 -7.490 -12.416 -2.621 1.00 0.51 H new ATOM 0 HB2 ARG A 100 -8.644 -13.112 -4.677 1.00 0.64 H new ATOM 0 HB3 ARG A 100 -7.362 -14.246 -5.052 1.00 0.64 H new ATOM 0 HG2 ARG A 100 -7.947 -15.709 -3.301 1.00 0.81 H new ATOM 0 HG3 ARG A 100 -8.769 -14.459 -2.389 1.00 0.81 H new ATOM 0 HD2 ARG A 100 -10.325 -16.142 -3.393 1.00 1.81 H new ATOM 0 HD3 ARG A 100 -10.675 -14.495 -3.879 1.00 1.81 H new ATOM 0 HE ARG A 100 -9.300 -15.121 -6.013 1.00 3.01 H new ATOM 0 HH11 ARG A 100 -10.734 -17.780 -4.192 1.00 4.32 H new ATOM 0 HH12 ARG A 100 -11.338 -18.596 -5.638 1.00 4.32 H new ATOM 0 HH21 ARG A 100 -10.399 -16.004 -7.840 1.00 5.67 H new ATOM 0 HH22 ARG A 100 -11.150 -17.596 -7.690 1.00 5.67 H new ATOM 1479 N ASN A 101 -4.930 -14.358 -3.319 1.00 0.56 N ATOM 1480 CA ASN A 101 -3.918 -15.188 -2.676 1.00 0.61 C ATOM 1481 C ASN A 101 -2.832 -14.320 -2.035 1.00 0.90 C ATOM 1482 O ASN A 101 -1.645 -14.497 -2.299 1.00 2.12 O ATOM 1483 CB ASN A 101 -3.335 -16.169 -3.693 1.00 1.01 C ATOM 1484 CG ASN A 101 -2.641 -17.345 -3.010 1.00 1.19 C ATOM 1485 OD1 ASN A 101 -3.188 -18.443 -2.967 1.00 1.81 O ATOM 1486 ND2 ASN A 101 -1.425 -17.168 -2.526 1.00 2.03 N ATOM 0 H ASN A 101 -4.811 -14.252 -4.327 1.00 0.56 H new ATOM 0 HA ASN A 101 -4.380 -15.764 -1.875 1.00 0.61 H new ATOM 0 HB2 ASN A 101 -4.131 -16.541 -4.338 1.00 1.01 H new ATOM 0 HB3 ASN A 101 -2.623 -15.649 -4.334 1.00 1.01 H new ATOM 0 HD21 ASN A 101 -0.924 -17.951 -2.107 1.00 2.03 H new ATOM 0 HD22 ASN A 101 -0.987 -16.248 -2.571 1.00 2.03 H new ATOM 1493 N SER A 102 -3.225 -13.328 -1.248 1.00 0.65 N ATOM 1494 CA SER A 102 -2.351 -12.548 -0.399 1.00 0.66 C ATOM 1495 C SER A 102 -3.221 -12.119 0.774 1.00 0.65 C ATOM 1496 O SER A 102 -4.302 -11.571 0.567 1.00 0.91 O ATOM 1497 CB SER A 102 -1.755 -11.359 -1.153 1.00 0.84 C ATOM 1498 OG SER A 102 -0.613 -10.896 -0.464 1.00 1.96 O ATOM 0 H SER A 102 -4.201 -13.037 -1.185 1.00 0.65 H new ATOM 0 HA SER A 102 -1.488 -13.120 -0.059 1.00 0.66 H new ATOM 0 HB2 SER A 102 -1.487 -11.654 -2.168 1.00 0.84 H new ATOM 0 HB3 SER A 102 -2.492 -10.560 -1.237 1.00 0.84 H new ATOM 0 HG SER A 102 0.184 -11.352 -0.808 1.00 1.96 H new ATOM 1504 N VAL A 103 -2.799 -12.450 1.990 1.00 0.60 N ATOM 1505 CA VAL A 103 -3.611 -12.299 3.192 1.00 0.66 C ATOM 1506 C VAL A 103 -2.948 -11.364 4.200 1.00 0.62 C ATOM 1507 O VAL A 103 -3.497 -11.131 5.280 1.00 0.86 O ATOM 1508 CB VAL A 103 -3.909 -13.677 3.793 1.00 0.81 C ATOM 1509 CG1 VAL A 103 -4.890 -14.431 2.893 1.00 0.88 C ATOM 1510 CG2 VAL A 103 -2.649 -14.517 4.011 1.00 0.87 C ATOM 0 H VAL A 103 -1.872 -12.835 2.171 1.00 0.60 H new ATOM 0 HA VAL A 103 -4.559 -11.835 2.920 1.00 0.66 H new ATOM 0 HB VAL A 103 -4.351 -13.510 4.775 1.00 0.81 H new ATOM 0 HG11 VAL A 103 -5.100 -15.410 3.323 1.00 0.88 H new ATOM 0 HG12 VAL A 103 -5.818 -13.865 2.811 1.00 0.88 H new ATOM 0 HG13 VAL A 103 -4.453 -14.556 1.902 1.00 0.88 H new ATOM 0 HG21 VAL A 103 -2.924 -15.481 4.438 1.00 0.87 H new ATOM 0 HG22 VAL A 103 -2.146 -14.673 3.057 1.00 0.87 H new ATOM 0 HG23 VAL A 103 -1.978 -13.996 4.694 1.00 0.87 H new ATOM 1520 N ARG A 104 -1.776 -10.848 3.853 1.00 0.58 N ATOM 1521 CA ARG A 104 -1.038 -9.863 4.610 1.00 0.53 C ATOM 1522 C ARG A 104 -1.058 -8.556 3.818 1.00 0.49 C ATOM 1523 O ARG A 104 -1.182 -8.594 2.590 1.00 0.67 O ATOM 1524 CB ARG A 104 0.407 -10.342 4.718 1.00 0.62 C ATOM 1525 CG ARG A 104 0.722 -11.308 5.863 1.00 1.07 C ATOM 1526 CD ARG A 104 0.240 -12.750 5.665 1.00 1.83 C ATOM 1527 NE ARG A 104 1.267 -13.688 6.156 1.00 2.19 N ATOM 1528 CZ ARG A 104 2.190 -14.217 5.342 1.00 3.24 C ATOM 1529 NH1 ARG A 104 1.806 -14.724 4.177 1.00 4.69 N ATOM 1530 NH2 ARG A 104 3.480 -14.191 5.686 1.00 3.85 N ATOM 0 H ARG A 104 -1.298 -11.122 2.995 1.00 0.58 H new ATOM 0 HA ARG A 104 -1.469 -9.720 5.601 1.00 0.53 H new ATOM 0 HB2 ARG A 104 0.677 -10.826 3.779 1.00 0.62 H new ATOM 0 HB3 ARG A 104 1.049 -9.468 4.823 1.00 0.62 H new ATOM 0 HG2 ARG A 104 1.801 -11.322 6.016 1.00 1.07 H new ATOM 0 HG3 ARG A 104 0.276 -10.917 6.777 1.00 1.07 H new ATOM 0 HD2 ARG A 104 -0.696 -12.908 6.200 1.00 1.83 H new ATOM 0 HD3 ARG A 104 0.039 -12.935 4.610 1.00 1.83 H new ATOM 0 HE ARG A 104 1.275 -13.941 7.144 1.00 2.19 H new ATOM 0 HH11 ARG A 104 0.821 -14.707 3.913 1.00 4.69 H new ATOM 0 HH12 ARG A 104 2.496 -15.131 3.545 1.00 4.69 H new ATOM 0 HH21 ARG A 104 3.764 -13.768 6.570 1.00 3.85 H new ATOM 0 HH22 ARG A 104 4.182 -14.594 5.065 1.00 3.85 H new ATOM 1544 N LEU A 105 -0.930 -7.421 4.495 1.00 0.46 N ATOM 1545 CA LEU A 105 -0.684 -6.129 3.881 1.00 0.43 C ATOM 1546 C LEU A 105 -0.017 -5.172 4.873 1.00 0.48 C ATOM 1547 O LEU A 105 -0.485 -5.013 6.005 1.00 0.75 O ATOM 1548 CB LEU A 105 -2.033 -5.564 3.410 1.00 0.53 C ATOM 1549 CG LEU A 105 -1.958 -4.153 2.812 1.00 0.59 C ATOM 1550 CD1 LEU A 105 -1.262 -4.216 1.455 1.00 1.72 C ATOM 1551 CD2 LEU A 105 -3.374 -3.604 2.635 1.00 2.08 C ATOM 0 H LEU A 105 -0.997 -7.376 5.512 1.00 0.46 H new ATOM 0 HA LEU A 105 -0.007 -6.243 3.035 1.00 0.43 H new ATOM 0 HB2 LEU A 105 -2.455 -6.239 2.665 1.00 0.53 H new ATOM 0 HB3 LEU A 105 -2.722 -5.551 4.255 1.00 0.53 H new ATOM 0 HG LEU A 105 -1.395 -3.500 3.479 1.00 0.59 H new ATOM 0 HD11 LEU A 105 -1.207 -3.215 1.027 1.00 1.72 H new ATOM 0 HD12 LEU A 105 -0.255 -4.613 1.581 1.00 1.72 H new ATOM 0 HD13 LEU A 105 -1.827 -4.866 0.786 1.00 1.72 H new ATOM 0 HD21 LEU A 105 -3.325 -2.601 2.210 1.00 2.08 H new ATOM 0 HD22 LEU A 105 -3.935 -4.255 1.965 1.00 2.08 H new ATOM 0 HD23 LEU A 105 -3.872 -3.564 3.604 1.00 2.08 H new ATOM 1563 N GLY A 106 1.012 -4.450 4.430 1.00 0.47 N ATOM 1564 CA GLY A 106 1.656 -3.429 5.237 1.00 0.53 C ATOM 1565 C GLY A 106 2.320 -2.388 4.341 1.00 0.48 C ATOM 1566 O GLY A 106 3.012 -2.752 3.393 1.00 0.52 O ATOM 0 H GLY A 106 1.418 -4.561 3.501 1.00 0.47 H new ATOM 0 HA2 GLY A 106 0.921 -2.948 5.882 1.00 0.53 H new ATOM 0 HA3 GLY A 106 2.401 -3.886 5.888 1.00 0.53 H new ATOM 1570 N CYS A 107 2.106 -1.095 4.625 1.00 0.47 N ATOM 1571 CA CYS A 107 2.677 0.037 3.883 1.00 0.44 C ATOM 1572 C CYS A 107 3.681 0.869 4.660 1.00 0.44 C ATOM 1573 O CYS A 107 3.650 0.909 5.890 1.00 0.56 O ATOM 1574 CB CYS A 107 1.609 0.991 3.324 1.00 0.66 C ATOM 1575 SG CYS A 107 1.089 0.805 1.617 1.00 1.75 S ATOM 0 H CYS A 107 1.513 -0.800 5.401 1.00 0.47 H new ATOM 0 HA CYS A 107 3.203 -0.460 3.068 1.00 0.44 H new ATOM 0 HB2 CYS A 107 0.722 0.897 3.951 1.00 0.66 H new ATOM 0 HB3 CYS A 107 1.979 2.009 3.447 1.00 0.66 H new ATOM 1580 N GLY A 108 4.501 1.598 3.903 1.00 0.46 N ATOM 1581 CA GLY A 108 5.382 2.664 4.347 1.00 0.55 C ATOM 1582 C GLY A 108 5.156 3.895 3.470 1.00 0.66 C ATOM 1583 O GLY A 108 4.367 3.837 2.523 1.00 1.31 O ATOM 0 H GLY A 108 4.567 1.445 2.897 1.00 0.46 H new ATOM 0 HA2 GLY A 108 5.185 2.905 5.392 1.00 0.55 H new ATOM 0 HA3 GLY A 108 6.422 2.343 4.285 1.00 0.55 H new ATOM 1587 N ARG A 109 5.837 4.996 3.788 1.00 0.65 N ATOM 1588 CA ARG A 109 5.596 6.333 3.266 1.00 0.57 C ATOM 1589 C ARG A 109 6.817 7.194 3.617 1.00 0.66 C ATOM 1590 O ARG A 109 6.845 7.746 4.714 1.00 1.23 O ATOM 1591 CB ARG A 109 4.295 6.877 3.905 1.00 0.69 C ATOM 1592 CG ARG A 109 3.783 8.177 3.264 1.00 0.70 C ATOM 1593 CD ARG A 109 3.929 9.422 4.150 1.00 1.49 C ATOM 1594 NE ARG A 109 2.735 9.742 4.949 1.00 1.70 N ATOM 1595 CZ ARG A 109 2.755 10.302 6.172 1.00 2.77 C ATOM 1596 NH1 ARG A 109 3.720 10.028 7.047 1.00 3.62 N ATOM 1597 NH2 ARG A 109 1.800 11.167 6.513 1.00 3.46 N ATOM 0 H ARG A 109 6.611 4.974 4.452 1.00 0.65 H new ATOM 0 HA ARG A 109 5.465 6.340 2.184 1.00 0.57 H new ATOM 0 HB2 ARG A 109 3.519 6.116 3.829 1.00 0.69 H new ATOM 0 HB3 ARG A 109 4.468 7.051 4.967 1.00 0.69 H new ATOM 0 HG2 ARG A 109 4.322 8.345 2.331 1.00 0.70 H new ATOM 0 HG3 ARG A 109 2.731 8.051 3.006 1.00 0.70 H new ATOM 0 HD2 ARG A 109 4.774 9.277 4.823 1.00 1.49 H new ATOM 0 HD3 ARG A 109 4.168 10.277 3.518 1.00 1.49 H new ATOM 0 HE ARG A 109 1.824 9.523 4.545 1.00 1.70 H new ATOM 0 HH11 ARG A 109 4.467 9.380 6.796 1.00 3.62 H new ATOM 0 HH12 ARG A 109 3.713 10.466 7.968 1.00 3.62 H new ATOM 0 HH21 ARG A 109 1.062 11.400 5.849 1.00 3.46 H new ATOM 0 HH22 ARG A 109 1.807 11.596 7.438 1.00 3.46 H new ATOM 1611 N ALA A 110 7.829 7.295 2.749 1.00 0.47 N ATOM 1612 CA ALA A 110 9.027 8.110 2.994 1.00 0.49 C ATOM 1613 C ALA A 110 9.122 9.182 1.912 1.00 0.57 C ATOM 1614 O ALA A 110 8.900 8.875 0.742 1.00 0.86 O ATOM 1615 CB ALA A 110 10.295 7.246 2.982 1.00 0.59 C ATOM 0 H ALA A 110 7.842 6.811 1.851 1.00 0.47 H new ATOM 0 HA ALA A 110 8.945 8.572 3.978 1.00 0.49 H new ATOM 0 HB1 ALA A 110 11.166 7.875 3.166 1.00 0.59 H new ATOM 0 HB2 ALA A 110 10.225 6.487 3.761 1.00 0.59 H new ATOM 0 HB3 ALA A 110 10.396 6.762 2.011 1.00 0.59 H new ATOM 1621 N ARG A 111 9.427 10.433 2.267 1.00 0.57 N ATOM 1622 CA ARG A 111 9.604 11.477 1.273 1.00 0.67 C ATOM 1623 C ARG A 111 11.026 11.420 0.735 1.00 0.62 C ATOM 1624 O ARG A 111 11.966 11.763 1.451 1.00 0.88 O ATOM 1625 CB ARG A 111 9.266 12.884 1.776 1.00 0.97 C ATOM 1626 CG ARG A 111 9.119 13.771 0.528 1.00 1.37 C ATOM 1627 CD ARG A 111 8.938 15.250 0.856 1.00 1.71 C ATOM 1628 NE ARG A 111 9.210 16.060 -0.341 1.00 2.87 N ATOM 1629 CZ ARG A 111 9.551 17.353 -0.344 1.00 3.34 C ATOM 1630 NH1 ARG A 111 9.374 18.098 0.745 1.00 3.26 N ATOM 1631 NH2 ARG A 111 10.082 17.898 -1.437 1.00 4.62 N ATOM 0 H ARG A 111 9.554 10.739 3.232 1.00 0.57 H new ATOM 0 HA ARG A 111 8.887 11.281 0.475 1.00 0.67 H new ATOM 0 HB2 ARG A 111 8.344 12.877 2.358 1.00 0.97 H new ATOM 0 HB3 ARG A 111 10.052 13.261 2.430 1.00 0.97 H new ATOM 0 HG2 ARG A 111 10.001 13.651 -0.100 1.00 1.37 H new ATOM 0 HG3 ARG A 111 8.264 13.428 -0.054 1.00 1.37 H new ATOM 0 HD2 ARG A 111 7.923 15.433 1.208 1.00 1.71 H new ATOM 0 HD3 ARG A 111 9.612 15.539 1.663 1.00 1.71 H new ATOM 0 HE ARG A 111 9.132 15.596 -1.246 1.00 2.87 H new ATOM 0 HH11 ARG A 111 8.976 17.683 1.588 1.00 3.26 H new ATOM 0 HH12 ARG A 111 9.636 19.084 0.737 1.00 3.26 H new ATOM 0 HH21 ARG A 111 10.228 17.329 -2.271 1.00 4.62 H new ATOM 0 HH22 ARG A 111 10.342 18.884 -1.440 1.00 4.62 H new ATOM 1645 N CYS A 112 11.181 11.034 -0.524 1.00 0.86 N ATOM 1646 CA CYS A 112 12.441 11.083 -1.243 1.00 0.91 C ATOM 1647 C CYS A 112 12.395 12.225 -2.251 1.00 1.33 C ATOM 1648 O CYS A 112 11.333 12.766 -2.549 1.00 1.90 O ATOM 1649 CB CYS A 112 12.664 9.796 -2.029 1.00 1.68 C ATOM 1650 SG CYS A 112 12.359 8.220 -1.229 1.00 2.52 S ATOM 0 H CYS A 112 10.412 10.669 -1.086 1.00 0.86 H new ATOM 0 HA CYS A 112 13.242 11.220 -0.517 1.00 0.91 H new ATOM 0 HB2 CYS A 112 12.034 9.841 -2.917 1.00 1.68 H new ATOM 0 HB3 CYS A 112 13.699 9.796 -2.372 1.00 1.68 H new ATOM 1690 N TRP A 116 9.436 11.405 -4.377 1.00 2.78 N ATOM 1691 CA TRP A 116 8.409 12.288 -3.855 1.00 1.66 C ATOM 1692 C TRP A 116 7.908 11.663 -2.559 1.00 1.27 C ATOM 1693 O TRP A 116 8.736 11.120 -1.834 1.00 1.41 O ATOM 1694 CB TRP A 116 7.438 12.502 -5.006 1.00 1.46 C ATOM 1695 CG TRP A 116 8.036 13.324 -6.103 1.00 1.64 C ATOM 1696 CD1 TRP A 116 8.662 14.509 -5.930 1.00 2.06 C ATOM 1697 CD2 TRP A 116 8.261 12.961 -7.495 1.00 1.81 C ATOM 1698 NE1 TRP A 116 9.280 14.877 -7.100 1.00 2.48 N ATOM 1699 CE2 TRP A 116 9.092 13.948 -8.092 1.00 2.27 C ATOM 1700 CE3 TRP A 116 7.896 11.865 -8.300 1.00 1.98 C ATOM 1701 CZ2 TRP A 116 9.571 13.833 -9.401 1.00 2.66 C ATOM 1702 CZ3 TRP A 116 8.309 11.774 -9.642 1.00 2.33 C ATOM 1703 CH2 TRP A 116 9.165 12.747 -10.183 1.00 2.57 C ATOM 0 HA TRP A 116 8.706 13.292 -3.551 1.00 1.66 H new ATOM 0 HB2 TRP A 116 7.131 11.535 -5.405 1.00 1.46 H new ATOM 0 HB3 TRP A 116 6.539 12.994 -4.634 1.00 1.46 H new ATOM 0 HD1 TRP A 116 8.674 15.079 -5.013 1.00 2.06 H new ATOM 0 HE1 TRP A 116 9.815 15.738 -7.217 1.00 2.48 H new ATOM 0 HE3 TRP A 116 7.287 11.079 -7.879 1.00 1.98 H new ATOM 0 HZ2 TRP A 116 10.246 14.574 -9.803 1.00 2.66 H new ATOM 0 HZ3 TRP A 116 7.967 10.955 -10.257 1.00 2.33 H new ATOM 0 HH2 TRP A 116 9.510 12.657 -11.203 1.00 2.57 H new ATOM 1714 N TRP A 117 6.613 11.615 -2.266 1.00 0.98 N ATOM 1715 CA TRP A 117 6.198 10.815 -1.128 1.00 0.80 C ATOM 1716 C TRP A 117 6.083 9.391 -1.638 1.00 0.87 C ATOM 1717 O TRP A 117 5.064 8.993 -2.195 1.00 1.31 O ATOM 1718 CB TRP A 117 4.889 11.312 -0.538 1.00 0.79 C ATOM 1719 CG TRP A 117 5.048 12.294 0.573 1.00 0.86 C ATOM 1720 CD1 TRP A 117 4.690 13.594 0.540 1.00 1.02 C ATOM 1721 CD2 TRP A 117 5.647 12.075 1.886 1.00 0.90 C ATOM 1722 NE1 TRP A 117 4.998 14.183 1.746 1.00 1.11 N ATOM 1723 CE2 TRP A 117 5.570 13.292 2.623 1.00 1.05 C ATOM 1724 CE3 TRP A 117 6.265 10.979 2.527 1.00 0.91 C ATOM 1725 CZ2 TRP A 117 6.048 13.413 3.934 1.00 1.17 C ATOM 1726 CZ3 TRP A 117 6.756 11.092 3.843 1.00 1.06 C ATOM 1727 CH2 TRP A 117 6.633 12.297 4.553 1.00 1.17 C ATOM 0 H TRP A 117 5.869 12.095 -2.773 1.00 0.98 H new ATOM 0 HA TRP A 117 6.921 10.882 -0.315 1.00 0.80 H new ATOM 0 HB2 TRP A 117 4.298 11.771 -1.331 1.00 0.79 H new ATOM 0 HB3 TRP A 117 4.321 10.456 -0.172 1.00 0.79 H new ATOM 0 HD1 TRP A 117 4.233 14.095 -0.301 1.00 1.02 H new ATOM 0 HE1 TRP A 117 4.823 15.164 1.963 1.00 1.11 H new ATOM 0 HE3 TRP A 117 6.363 10.041 2.001 1.00 0.91 H new ATOM 0 HZ2 TRP A 117 5.968 14.352 4.461 1.00 1.17 H new ATOM 0 HZ3 TRP A 117 7.232 10.243 4.310 1.00 1.06 H new ATOM 0 HH2 TRP A 117 6.987 12.365 5.571 1.00 1.17 H new ATOM 1738 N PHE A 118 7.154 8.643 -1.405 1.00 0.71 N ATOM 1739 CA PHE A 118 7.339 7.306 -1.894 1.00 0.72 C ATOM 1740 C PHE A 118 6.628 6.376 -0.935 1.00 0.76 C ATOM 1741 O PHE A 118 7.100 6.103 0.169 1.00 1.16 O ATOM 1742 CB PHE A 118 8.839 6.994 -1.941 1.00 0.75 C ATOM 1743 CG PHE A 118 9.149 5.744 -2.725 1.00 0.82 C ATOM 1744 CD1 PHE A 118 9.097 5.732 -4.128 1.00 1.98 C ATOM 1745 CD2 PHE A 118 9.297 4.537 -2.022 1.00 1.78 C ATOM 1746 CE1 PHE A 118 9.198 4.514 -4.819 1.00 2.07 C ATOM 1747 CE2 PHE A 118 9.425 3.326 -2.711 1.00 1.81 C ATOM 1748 CZ PHE A 118 9.323 3.308 -4.106 1.00 1.09 C ATOM 0 H PHE A 118 7.941 8.975 -0.847 1.00 0.71 H new ATOM 0 HA PHE A 118 6.934 7.185 -2.899 1.00 0.72 H new ATOM 0 HB2 PHE A 118 9.368 7.837 -2.386 1.00 0.75 H new ATOM 0 HB3 PHE A 118 9.215 6.883 -0.924 1.00 0.75 H new ATOM 0 HD1 PHE A 118 8.980 6.657 -4.674 1.00 1.98 H new ATOM 0 HD2 PHE A 118 9.312 4.544 -0.942 1.00 1.78 H new ATOM 0 HE1 PHE A 118 9.180 4.503 -5.899 1.00 2.07 H new ATOM 0 HE2 PHE A 118 9.602 2.409 -2.168 1.00 1.81 H new ATOM 0 HZ PHE A 118 9.340 2.367 -4.636 1.00 1.09 H new ATOM 1758 N ILE A 119 5.451 5.938 -1.361 1.00 0.46 N ATOM 1759 CA ILE A 119 4.643 4.979 -0.648 1.00 0.40 C ATOM 1760 C ILE A 119 4.862 3.629 -1.309 1.00 0.40 C ATOM 1761 O ILE A 119 4.911 3.537 -2.533 1.00 0.42 O ATOM 1762 CB ILE A 119 3.182 5.460 -0.631 1.00 0.46 C ATOM 1763 CG1 ILE A 119 3.091 6.506 0.488 1.00 0.68 C ATOM 1764 CG2 ILE A 119 2.199 4.299 -0.461 1.00 0.50 C ATOM 1765 CD1 ILE A 119 1.770 7.267 0.557 1.00 1.13 C ATOM 0 H ILE A 119 5.028 6.252 -2.234 1.00 0.46 H new ATOM 0 HA ILE A 119 4.923 4.878 0.400 1.00 0.40 H new ATOM 0 HB ILE A 119 2.897 5.907 -1.583 1.00 0.46 H new ATOM 0 HG12 ILE A 119 3.256 6.008 1.444 1.00 0.68 H new ATOM 0 HG13 ILE A 119 3.900 7.225 0.359 1.00 0.68 H new ATOM 0 HG21 ILE A 119 1.179 4.684 -0.454 1.00 0.50 H new ATOM 0 HG22 ILE A 119 2.317 3.598 -1.288 1.00 0.50 H new ATOM 0 HG23 ILE A 119 2.400 3.787 0.480 1.00 0.50 H new ATOM 0 HD11 ILE A 119 1.804 7.982 1.379 1.00 1.13 H new ATOM 0 HD12 ILE A 119 1.607 7.799 -0.380 1.00 1.13 H new ATOM 0 HD13 ILE A 119 0.953 6.564 0.721 1.00 1.13 H new ATOM 1777 N SER A 120 4.995 2.590 -0.494 1.00 0.62 N ATOM 1778 CA SER A 120 5.090 1.209 -0.928 1.00 0.69 C ATOM 1779 C SER A 120 4.196 0.413 -0.002 1.00 0.60 C ATOM 1780 O SER A 120 4.219 0.696 1.195 1.00 0.57 O ATOM 1781 CB SER A 120 6.538 0.736 -0.808 1.00 0.83 C ATOM 1782 OG SER A 120 7.346 1.555 -1.623 1.00 1.90 O ATOM 0 H SER A 120 5.041 2.693 0.520 1.00 0.62 H new ATOM 0 HA SER A 120 4.784 1.087 -1.967 1.00 0.69 H new ATOM 0 HB2 SER A 120 6.869 0.790 0.229 1.00 0.83 H new ATOM 0 HB3 SER A 120 6.623 -0.306 -1.116 1.00 0.83 H new ATOM 0 HG SER A 120 8.036 1.983 -1.075 1.00 1.90 H new ATOM 1788 N CYS A 121 3.421 -0.537 -0.527 1.00 0.77 N ATOM 1789 CA CYS A 121 2.831 -1.604 0.275 1.00 0.68 C ATOM 1790 C CYS A 121 3.500 -2.888 -0.137 1.00 0.52 C ATOM 1791 O CYS A 121 3.614 -3.133 -1.338 1.00 0.66 O ATOM 1792 CB CYS A 121 1.317 -1.751 0.096 1.00 1.01 C ATOM 1793 SG CYS A 121 0.333 -1.110 1.453 1.00 1.34 S ATOM 0 H CYS A 121 3.186 -0.587 -1.518 1.00 0.77 H new ATOM 0 HA CYS A 121 2.987 -1.361 1.326 1.00 0.68 H new ATOM 0 HB2 CYS A 121 1.022 -1.240 -0.821 1.00 1.01 H new ATOM 0 HB3 CYS A 121 1.082 -2.807 -0.038 1.00 1.01 H new ATOM 1798 N ASN A 122 3.916 -3.677 0.847 1.00 0.46 N ATOM 1799 CA ASN A 122 4.276 -5.072 0.677 1.00 0.48 C ATOM 1800 C ASN A 122 3.035 -5.896 0.999 1.00 0.47 C ATOM 1801 O ASN A 122 2.200 -5.474 1.803 1.00 0.51 O ATOM 1802 CB ASN A 122 5.422 -5.455 1.619 1.00 0.69 C ATOM 1803 CG ASN A 122 6.771 -5.352 0.928 1.00 0.98 C ATOM 1804 OD1 ASN A 122 7.464 -4.345 1.045 1.00 2.56 O ATOM 1805 ND2 ASN A 122 7.161 -6.399 0.212 1.00 1.24 N ATOM 0 H ASN A 122 4.013 -3.352 1.809 1.00 0.46 H new ATOM 0 HA ASN A 122 4.616 -5.257 -0.342 1.00 0.48 H new ATOM 0 HB2 ASN A 122 5.409 -4.803 2.493 1.00 0.69 H new ATOM 0 HB3 ASN A 122 5.273 -6.473 1.979 1.00 0.69 H new ATOM 0 HD21 ASN A 122 8.063 -6.384 -0.264 1.00 1.24 H new ATOM 0 HD22 ASN A 122 6.559 -7.219 0.137 1.00 1.24 H new ATOM 1812 N TYR A 123 2.907 -7.038 0.332 1.00 0.50 N ATOM 1813 CA TYR A 123 1.810 -7.988 0.431 1.00 0.52 C ATOM 1814 C TYR A 123 2.466 -9.358 0.634 1.00 0.57 C ATOM 1815 O TYR A 123 3.614 -9.522 0.213 1.00 0.64 O ATOM 1816 CB TYR A 123 1.026 -7.949 -0.890 1.00 0.45 C ATOM 1817 CG TYR A 123 0.385 -6.619 -1.250 1.00 0.44 C ATOM 1818 CD1 TYR A 123 1.172 -5.539 -1.692 1.00 1.71 C ATOM 1819 CD2 TYR A 123 -1.016 -6.495 -1.251 1.00 1.79 C ATOM 1820 CE1 TYR A 123 0.570 -4.326 -2.054 1.00 1.73 C ATOM 1821 CE2 TYR A 123 -1.618 -5.302 -1.687 1.00 1.77 C ATOM 1822 CZ TYR A 123 -0.826 -4.212 -2.071 1.00 0.48 C ATOM 1823 OH TYR A 123 -1.407 -3.092 -2.589 1.00 0.58 O ATOM 0 H TYR A 123 3.615 -7.343 -0.336 1.00 0.50 H new ATOM 0 HA TYR A 123 1.121 -7.767 1.246 1.00 0.52 H new ATOM 0 HB2 TYR A 123 1.701 -8.234 -1.697 1.00 0.45 H new ATOM 0 HB3 TYR A 123 0.243 -8.706 -0.846 1.00 0.45 H new ATOM 0 HD1 TYR A 123 2.245 -5.645 -1.753 1.00 1.71 H new ATOM 0 HD2 TYR A 123 -1.630 -7.318 -0.916 1.00 1.79 H new ATOM 0 HE1 TYR A 123 1.183 -3.478 -2.320 1.00 1.73 H new ATOM 0 HE2 TYR A 123 -2.695 -5.225 -1.726 1.00 1.77 H new ATOM 0 HH TYR A 123 -0.913 -2.300 -2.291 1.00 0.58 H new ATOM 1833 N ASP A 124 1.804 -10.331 1.274 1.00 0.64 N ATOM 1834 CA ASP A 124 2.383 -11.667 1.473 1.00 0.64 C ATOM 1835 C ASP A 124 1.310 -12.768 1.411 1.00 0.60 C ATOM 1836 O ASP A 124 0.262 -12.635 2.054 1.00 0.70 O ATOM 1837 CB ASP A 124 3.176 -11.740 2.789 1.00 0.82 C ATOM 1838 CG ASP A 124 4.206 -12.852 2.765 1.00 1.16 C ATOM 1839 OD1 ASP A 124 3.832 -14.039 2.657 1.00 1.97 O ATOM 1840 OD2 ASP A 124 5.406 -12.530 2.837 1.00 2.25 O ATOM 0 H ASP A 124 0.868 -10.218 1.663 1.00 0.64 H new ATOM 0 HA ASP A 124 3.078 -11.843 0.652 1.00 0.64 H new ATOM 0 HB2 ASP A 124 3.674 -10.787 2.966 1.00 0.82 H new ATOM 0 HB3 ASP A 124 2.488 -11.900 3.619 1.00 0.82 H new ATOM 1845 N PRO A 125 1.531 -13.872 0.677 1.00 0.65 N ATOM 1846 CA PRO A 125 2.614 -14.077 -0.281 1.00 0.72 C ATOM 1847 C PRO A 125 2.461 -13.152 -1.495 1.00 0.69 C ATOM 1848 O PRO A 125 1.629 -12.245 -1.509 1.00 0.68 O ATOM 1849 CB PRO A 125 2.539 -15.564 -0.657 1.00 0.90 C ATOM 1850 CG PRO A 125 1.062 -15.894 -0.473 1.00 0.93 C ATOM 1851 CD PRO A 125 0.699 -15.062 0.754 1.00 0.78 C ATOM 0 HA PRO A 125 3.590 -13.830 0.136 1.00 0.72 H new ATOM 0 HB2 PRO A 125 2.866 -15.737 -1.682 1.00 0.90 H new ATOM 0 HB3 PRO A 125 3.172 -16.175 -0.013 1.00 0.90 H new ATOM 0 HG2 PRO A 125 0.470 -15.614 -1.345 1.00 0.93 H new ATOM 0 HG3 PRO A 125 0.900 -16.959 -0.306 1.00 0.93 H new ATOM 0 HD2 PRO A 125 -0.359 -14.802 0.752 1.00 0.78 H new ATOM 0 HD3 PRO A 125 0.890 -15.615 1.674 1.00 0.78 H new ATOM 1859 N VAL A 126 3.308 -13.374 -2.499 1.00 0.81 N ATOM 1860 CA VAL A 126 3.408 -12.564 -3.699 1.00 0.88 C ATOM 1861 C VAL A 126 2.062 -12.270 -4.374 1.00 0.82 C ATOM 1862 O VAL A 126 1.166 -13.114 -4.420 1.00 0.98 O ATOM 1863 CB VAL A 126 4.394 -13.215 -4.683 1.00 1.31 C ATOM 1864 CG1 VAL A 126 5.775 -13.435 -4.054 1.00 1.56 C ATOM 1865 CG2 VAL A 126 3.902 -14.585 -5.162 1.00 1.54 C ATOM 0 H VAL A 126 3.966 -14.154 -2.493 1.00 0.81 H new ATOM 0 HA VAL A 126 3.784 -11.590 -3.387 1.00 0.88 H new ATOM 0 HB VAL A 126 4.464 -12.519 -5.519 1.00 1.31 H new ATOM 0 HG11 VAL A 126 6.438 -13.897 -4.785 1.00 1.56 H new ATOM 0 HG12 VAL A 126 6.190 -12.476 -3.742 1.00 1.56 H new ATOM 0 HG13 VAL A 126 5.680 -14.088 -3.187 1.00 1.56 H new ATOM 0 HG21 VAL A 126 4.628 -15.010 -5.855 1.00 1.54 H new ATOM 0 HG22 VAL A 126 3.786 -15.250 -4.306 1.00 1.54 H new ATOM 0 HG23 VAL A 126 2.942 -14.471 -5.666 1.00 1.54 H new ATOM 1875 N GLY A 127 1.959 -11.087 -4.983 1.00 0.84 N ATOM 1876 CA GLY A 127 0.837 -10.683 -5.806 1.00 0.89 C ATOM 1877 C GLY A 127 1.361 -9.993 -7.057 1.00 0.83 C ATOM 1878 O GLY A 127 2.419 -9.374 -7.017 1.00 1.08 O ATOM 0 H GLY A 127 2.679 -10.369 -4.910 1.00 0.84 H new ATOM 0 HA2 GLY A 127 0.238 -11.552 -6.079 1.00 0.89 H new ATOM 0 HA3 GLY A 127 0.186 -10.009 -5.250 1.00 0.89 H new ATOM 1882 N ASN A 128 0.652 -10.144 -8.176 1.00 0.77 N ATOM 1883 CA ASN A 128 1.117 -9.899 -9.546 1.00 0.86 C ATOM 1884 C ASN A 128 2.181 -10.927 -9.921 1.00 0.98 C ATOM 1885 O ASN A 128 3.135 -10.621 -10.639 1.00 1.34 O ATOM 1886 CB ASN A 128 1.609 -8.464 -9.772 1.00 0.96 C ATOM 1887 CG ASN A 128 0.511 -7.418 -9.698 1.00 1.00 C ATOM 1888 OD1 ASN A 128 -0.681 -7.723 -9.684 1.00 1.72 O ATOM 1889 ND2 ASN A 128 0.901 -6.154 -9.702 1.00 1.62 N ATOM 0 H ASN A 128 -0.318 -10.458 -8.152 1.00 0.77 H new ATOM 0 HA ASN A 128 0.259 -10.015 -10.208 1.00 0.86 H new ATOM 0 HB2 ASN A 128 2.371 -8.230 -9.028 1.00 0.96 H new ATOM 0 HB3 ASN A 128 2.089 -8.404 -10.749 1.00 0.96 H new ATOM 0 HD21 ASN A 128 0.207 -5.406 -9.693 1.00 1.62 H new ATOM 0 HD22 ASN A 128 1.895 -5.927 -9.714 1.00 1.62 H new ATOM 1896 N TRP A 129 2.021 -12.136 -9.386 1.00 0.89 N ATOM 1897 CA TRP A 129 2.779 -13.325 -9.728 1.00 1.02 C ATOM 1898 C TRP A 129 1.955 -14.120 -10.745 1.00 1.22 C ATOM 1899 O TRP A 129 0.733 -14.184 -10.621 1.00 1.28 O ATOM 1900 CB TRP A 129 3.089 -14.067 -8.422 1.00 1.07 C ATOM 1901 CG TRP A 129 2.929 -15.554 -8.349 1.00 1.34 C ATOM 1902 CD1 TRP A 129 1.751 -16.212 -8.246 1.00 1.67 C ATOM 1903 CD2 TRP A 129 3.963 -16.564 -8.159 1.00 1.53 C ATOM 1904 NE1 TRP A 129 1.986 -17.540 -7.970 1.00 1.94 N ATOM 1905 CE2 TRP A 129 3.333 -17.810 -7.880 1.00 1.85 C ATOM 1906 CE3 TRP A 129 5.375 -16.537 -8.112 1.00 1.64 C ATOM 1907 CZ2 TRP A 129 4.055 -18.964 -7.560 1.00 2.11 C ATOM 1908 CZ3 TRP A 129 6.110 -17.693 -7.794 1.00 1.98 C ATOM 1909 CH2 TRP A 129 5.457 -18.907 -7.523 1.00 2.15 C ATOM 0 H TRP A 129 1.322 -12.316 -8.666 1.00 0.89 H new ATOM 0 HA TRP A 129 3.739 -13.120 -10.201 1.00 1.02 H new ATOM 0 HB2 TRP A 129 4.121 -13.839 -8.157 1.00 1.07 H new ATOM 0 HB3 TRP A 129 2.457 -13.635 -7.646 1.00 1.07 H new ATOM 0 HD1 TRP A 129 0.775 -15.764 -8.363 1.00 1.67 H new ATOM 0 HE1 TRP A 129 1.252 -18.238 -7.847 1.00 1.94 H new ATOM 0 HE3 TRP A 129 5.897 -15.616 -8.323 1.00 1.64 H new ATOM 0 HZ2 TRP A 129 3.540 -19.888 -7.344 1.00 2.11 H new ATOM 0 HZ3 TRP A 129 7.188 -17.647 -7.758 1.00 1.98 H new ATOM 0 HH2 TRP A 129 6.030 -19.791 -7.288 1.00 2.15 H new ATOM 1920 N ILE A 130 2.579 -14.681 -11.780 1.00 1.56 N ATOM 1921 CA ILE A 130 1.844 -15.416 -12.804 1.00 1.83 C ATOM 1922 C ILE A 130 1.367 -16.786 -12.308 1.00 1.93 C ATOM 1923 O ILE A 130 1.900 -17.333 -11.344 1.00 2.03 O ATOM 1924 CB ILE A 130 2.614 -15.439 -14.143 1.00 2.39 C ATOM 1925 CG1 ILE A 130 1.694 -14.921 -15.265 1.00 2.75 C ATOM 1926 CG2 ILE A 130 3.230 -16.803 -14.478 1.00 2.78 C ATOM 1927 CD1 ILE A 130 2.417 -14.740 -16.599 1.00 3.40 C ATOM 0 H ILE A 130 3.587 -14.640 -11.930 1.00 1.56 H new ATOM 0 HA ILE A 130 0.921 -14.876 -13.016 1.00 1.83 H new ATOM 0 HB ILE A 130 3.472 -14.774 -14.044 1.00 2.39 H new ATOM 0 HG12 ILE A 130 0.867 -15.618 -15.399 1.00 2.75 H new ATOM 0 HG13 ILE A 130 1.262 -13.968 -14.961 1.00 2.75 H new ATOM 0 HG21 ILE A 130 3.754 -16.741 -15.432 1.00 2.78 H new ATOM 0 HG22 ILE A 130 3.933 -17.087 -13.695 1.00 2.78 H new ATOM 0 HG23 ILE A 130 2.441 -17.552 -14.546 1.00 2.78 H new ATOM 0 HD11 ILE A 130 1.714 -14.373 -17.347 1.00 3.40 H new ATOM 0 HD12 ILE A 130 3.227 -14.021 -16.479 1.00 3.40 H new ATOM 0 HD13 ILE A 130 2.826 -15.697 -16.924 1.00 3.40 H new ATOM 1939 N GLY A 131 0.364 -17.341 -12.988 1.00 2.21 N ATOM 1940 CA GLY A 131 -0.157 -18.670 -12.725 1.00 2.59 C ATOM 1941 C GLY A 131 -0.812 -18.747 -11.350 1.00 2.12 C ATOM 1942 O GLY A 131 -0.442 -19.586 -10.531 1.00 2.46 O ATOM 0 H GLY A 131 -0.115 -16.864 -13.752 1.00 2.21 H new ATOM 0 HA2 GLY A 131 -0.884 -18.936 -13.492 1.00 2.59 H new ATOM 0 HA3 GLY A 131 0.652 -19.398 -12.786 1.00 2.59 H new ATOM 1946 N GLN A 132 -1.773 -17.870 -11.078 1.00 2.12 N ATOM 1947 CA GLN A 132 -2.560 -17.875 -9.855 1.00 1.80 C ATOM 1948 C GLN A 132 -3.873 -17.162 -10.194 1.00 1.75 C ATOM 1949 O GLN A 132 -3.899 -16.357 -11.125 1.00 2.52 O ATOM 1950 CB GLN A 132 -1.723 -17.155 -8.787 1.00 1.76 C ATOM 1951 CG GLN A 132 -2.448 -16.745 -7.499 1.00 2.40 C ATOM 1952 CD GLN A 132 -1.781 -17.377 -6.287 1.00 2.27 C ATOM 1953 OE1 GLN A 132 -2.316 -18.316 -5.709 1.00 3.17 O ATOM 1954 NE2 GLN A 132 -0.634 -16.857 -5.868 1.00 2.16 N ATOM 0 H GLN A 132 -2.030 -17.119 -11.719 1.00 2.12 H new ATOM 0 HA GLN A 132 -2.802 -18.865 -9.468 1.00 1.80 H new ATOM 0 HB2 GLN A 132 -0.889 -17.802 -8.516 1.00 1.76 H new ATOM 0 HB3 GLN A 132 -1.297 -16.258 -9.237 1.00 1.76 H new ATOM 0 HG2 GLN A 132 -2.441 -15.659 -7.401 1.00 2.40 H new ATOM 0 HG3 GLN A 132 -3.492 -17.053 -7.549 1.00 2.40 H new ATOM 0 HE21 GLN A 132 -0.214 -16.075 -6.371 1.00 2.16 H new ATOM 0 HE22 GLN A 132 -0.172 -17.239 -5.043 1.00 2.16 H new ATOM 1963 N ARG A 133 -4.972 -17.434 -9.489 1.00 1.72 N ATOM 1964 CA ARG A 133 -6.170 -16.612 -9.623 1.00 1.70 C ATOM 1965 C ARG A 133 -6.037 -15.362 -8.745 1.00 1.35 C ATOM 1966 O ARG A 133 -5.951 -15.497 -7.524 1.00 1.41 O ATOM 1967 CB ARG A 133 -7.438 -17.413 -9.293 1.00 1.89 C ATOM 1968 CG ARG A 133 -7.800 -18.424 -10.394 1.00 2.45 C ATOM 1969 CD ARG A 133 -7.954 -17.737 -11.759 1.00 2.49 C ATOM 1970 NE ARG A 133 -8.686 -18.550 -12.739 1.00 3.26 N ATOM 1971 CZ ARG A 133 -8.932 -18.121 -13.988 1.00 4.18 C ATOM 1972 NH1 ARG A 133 -8.578 -16.882 -14.341 1.00 4.74 N ATOM 1973 NH2 ARG A 133 -9.505 -18.932 -14.879 1.00 5.25 N ATOM 0 H ARG A 133 -5.055 -18.207 -8.829 1.00 1.72 H new ATOM 0 HA ARG A 133 -6.267 -16.294 -10.661 1.00 1.70 H new ATOM 0 HB2 ARG A 133 -7.294 -17.943 -8.351 1.00 1.89 H new ATOM 0 HB3 ARG A 133 -8.271 -16.725 -9.148 1.00 1.89 H new ATOM 0 HG2 ARG A 133 -7.026 -19.189 -10.456 1.00 2.45 H new ATOM 0 HG3 ARG A 133 -8.729 -18.931 -10.133 1.00 2.45 H new ATOM 0 HD2 ARG A 133 -8.473 -16.788 -11.624 1.00 2.49 H new ATOM 0 HD3 ARG A 133 -6.965 -17.506 -12.155 1.00 2.49 H new ATOM 0 HE ARG A 133 -9.019 -19.473 -12.461 1.00 3.26 H new ATOM 0 HH11 ARG A 133 -8.124 -16.269 -13.664 1.00 4.74 H new ATOM 0 HH12 ARG A 133 -8.762 -16.549 -15.288 1.00 4.74 H new ATOM 0 HH21 ARG A 133 -9.759 -19.884 -14.613 1.00 5.25 H new ATOM 0 HH22 ARG A 133 -9.689 -18.600 -15.826 1.00 5.25 H new ATOM 1987 N PRO A 134 -6.003 -14.147 -9.321 1.00 1.06 N ATOM 1988 CA PRO A 134 -5.908 -12.924 -8.543 1.00 0.83 C ATOM 1989 C PRO A 134 -7.231 -12.570 -7.872 1.00 0.56 C ATOM 1990 O PRO A 134 -7.230 -11.888 -6.856 1.00 0.64 O ATOM 1991 CB PRO A 134 -5.504 -11.845 -9.541 1.00 0.93 C ATOM 1992 CG PRO A 134 -6.080 -12.331 -10.873 1.00 0.92 C ATOM 1993 CD PRO A 134 -5.995 -13.850 -10.749 1.00 1.12 C ATOM 0 HA PRO A 134 -5.187 -13.030 -7.733 1.00 0.83 H new ATOM 0 HB2 PRO A 134 -5.910 -10.873 -9.262 1.00 0.93 H new ATOM 0 HB3 PRO A 134 -4.421 -11.735 -9.592 1.00 0.93 H new ATOM 0 HG2 PRO A 134 -7.107 -11.994 -11.016 1.00 0.92 H new ATOM 0 HG3 PRO A 134 -5.503 -11.962 -11.721 1.00 0.92 H new ATOM 0 HD2 PRO A 134 -6.837 -14.328 -11.250 1.00 1.12 H new ATOM 0 HD3 PRO A 134 -5.087 -14.228 -11.219 1.00 1.12 H new ATOM 2001 N TYR A 135 -8.356 -12.979 -8.448 1.00 0.66 N ATOM 2002 CA TYR A 135 -9.686 -12.795 -7.906 1.00 0.66 C ATOM 2003 C TYR A 135 -10.563 -13.853 -8.554 1.00 0.92 C ATOM 2004 O TYR A 135 -11.459 -14.312 -7.821 1.00 2.32 O ATOM 2005 CB TYR A 135 -10.234 -11.376 -8.119 1.00 0.63 C ATOM 2006 CG TYR A 135 -10.142 -10.777 -9.511 1.00 0.73 C ATOM 2007 CD1 TYR A 135 -8.903 -10.328 -9.998 1.00 2.20 C ATOM 2008 CD2 TYR A 135 -11.311 -10.454 -10.221 1.00 1.54 C ATOM 2009 CE1 TYR A 135 -8.815 -9.698 -11.249 1.00 2.39 C ATOM 2010 CE2 TYR A 135 -11.234 -9.712 -11.413 1.00 1.57 C ATOM 2011 CZ TYR A 135 -9.981 -9.381 -11.956 1.00 1.25 C ATOM 2012 OH TYR A 135 -9.877 -8.782 -13.176 1.00 1.57 O ATOM 2013 OXT TYR A 135 -9.984 -14.606 -9.367 1.00 1.71 O ATOM 0 H TYR A 135 -8.360 -13.468 -9.343 1.00 0.66 H new ATOM 0 HA TYR A 135 -9.668 -12.911 -6.822 1.00 0.66 H new ATOM 0 HB2 TYR A 135 -11.283 -11.376 -7.824 1.00 0.63 H new ATOM 0 HB3 TYR A 135 -9.710 -10.710 -7.434 1.00 0.63 H new ATOM 0 HD1 TYR A 135 -8.011 -10.469 -9.405 1.00 2.20 H new ATOM 0 HD2 TYR A 135 -12.272 -10.777 -9.850 1.00 1.54 H new ATOM 0 HE1 TYR A 135 -7.848 -9.458 -11.666 1.00 2.39 H new ATOM 0 HE2 TYR A 135 -12.139 -9.396 -11.911 1.00 1.57 H new ATOM 0 HH TYR A 135 -10.763 -8.733 -13.593 1.00 1.57 H new