USER MOD reduce.3.24.130724 H: found=0, std=0, add=1396, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1394 hydrogens (12 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 151 SER OG : rot 105:sc= 0.713 USER MOD Set 1.2: A 154 THR OG1 : rot 180:sc= -2.22! USER MOD Set 2.1: A 49 GLN : amide:sc= 0.0645 K(o=-1.5,f=-2.1) USER MOD Set 2.2: A 58 THR OG1 : rot 160:sc= -1.56! USER MOD Set 3.1: A 42 THR OG1 : rot 180:sc= 0.127 USER MOD Set 3.2: A 44 HIS : no HD1:sc= -0.516 K(o=-0.39,f=-1.3) USER MOD Set 4.1: A 16 HIS : no HD1:sc= -6.11! C(o=-16!,f=-17!) USER MOD Set 4.2: A 19 HIS : no HD1:sc= -5.49! C(o=-16!,f=-31!) USER MOD Set 4.3: A 96 THR OG1 : rot -164:sc= -4! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.00078) USER MOD Single : A 4 MET CE :methyl 162:sc= -0.143 (180deg=-0.649) USER MOD Single : A 12 THR OG1 : rot -110:sc= -0.0219 USER MOD Single : A 14 MET CE :methyl -162:sc= -2.32 (180deg=-4.18!) USER MOD Single : A 21 LYS NZ :NH3+ -150:sc= 0.928 (180deg=-0.67!) USER MOD Single : A 22 THR OG1 : rot -77:sc= 1.05 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0539 USER MOD Single : A 30 HIS :FLIP no HD1:sc= -0.0727 F(o=-0.8,f=-0.073) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -174:sc= 1.27 (180deg=1.19) USER MOD Single : A 34 THR OG1 : rot 45:sc= 0.61 USER MOD Single : A 36 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.551 X(o=-0.55,f=-0.32) USER MOD Single : A 48 TYR OH : rot 150:sc= -3.04! USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -1.23 K(o=-1.2,f=-15!) USER MOD Single : A 55 LYS NZ :NH3+ 139:sc= 0.859 (180deg=-0.527) USER MOD Single : A 56 LYS NZ :NH3+ -165:sc= 0.517 (180deg=0.342) USER MOD Single : A 62 THR OG1 : rot 63:sc= 0.616 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0204 USER MOD Single : A 70 THR OG1 : rot 76:sc= -0.0538 USER MOD Single : A 71 MET CE :methyl -166:sc= -0.0663 (180deg=-0.404) USER MOD Single : A 77 GLN : amide:sc= 0.411 K(o=0.41,f=-0.65) USER MOD Single : A 79 THR OG1 : rot 55:sc= 1.41 USER MOD Single : A 93 MET CE :methyl -118:sc= -0.0113 (180deg=-0.283) USER MOD Single : A 95 GLN :FLIP amide:sc= -0.593 F(o=-2.2,f=-0.59) USER MOD Single : A 101 ASN : amide:sc= -2.54! X(o=-2.5!,f=-2.4) USER MOD Single : A 102 HIS :FLIP no HD1:sc= -1.85 F(o=-2.5,f=-1.9) USER MOD Single : A 104 LYS NZ :NH3+ -119:sc= 0.502 (180deg=0.084) USER MOD Single : A 107 ASN : amide:sc= -0.18 K(o=-0.18,f=-1.1) USER MOD Single : A 115 ASN : amide:sc= -4! C(o=-4!,f=-11!) USER MOD Single : A 116 LYS NZ :NH3+ -141:sc= 1.19 (180deg=-0.186) USER MOD Single : A 117 MET CE :methyl -111:sc= -1.55 (180deg=-6.02!) USER MOD Single : A 119 LYS NZ :NH3+ 137:sc= 1.25 (180deg=-0.0957) USER MOD Single : A 123 ASN :FLIP amide:sc= -0.848 F(o=-1.9,f=-0.85) USER MOD Single : A 128 MET CE :methyl -129:sc= -1.49 (180deg=-6.42!) USER MOD Single : A 129 GLN : amide:sc= -0.053 K(o=-0.053,f=-0.59) USER MOD Single : A 132 MET CE :methyl -155:sc= -0.293 (180deg=-1.31!) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= -0.0398 K(o=-0.04,f=-1.1) USER MOD Single : A 145 THR OG1 : rot -9:sc= -0.68! USER MOD Single : A 148 CYS SG : rot -100:sc= -1.52 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 151:sc= 0.905 (180deg=-0.65!) USER MOD Single : A 160 HIS : no HE2:sc= 0.409 K(o=0.41,f=-1.5) USER MOD Single : A 164 MET CE :methyl 132:sc= -1.83 (180deg=-4.61!) USER MOD Single : A 169 SER OG : rot 69:sc= 1.01 USER MOD Single : A 171 MET CE :methyl -177:sc= 0 (180deg=-0.0256) USER MOD Single : A 175 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 177 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 179 GDP O2' : rot 180:sc= 0 USER MOD Single : A 179 GDP O3' : rot 130:sc= 0.259 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -33.354 -5.828 -11.768 1.00 11.58 N ATOM 2 CA GLY A 1 -32.180 -6.726 -11.662 1.00 11.11 C ATOM 3 C GLY A 1 -30.954 -6.130 -12.322 1.00 10.21 C ATOM 4 O GLY A 1 -30.445 -6.667 -13.308 1.00 9.82 O ATOM 0 H1 GLY A 1 -34.173 -6.271 -11.305 1.00 11.58 H new ATOM 0 H2 GLY A 1 -33.141 -4.922 -11.303 1.00 11.58 H new ATOM 0 H3 GLY A 1 -33.573 -5.660 -12.771 1.00 11.58 H new ATOM 0 HA2 GLY A 1 -31.967 -6.924 -10.611 1.00 11.11 H new ATOM 0 HA3 GLY A 1 -32.413 -7.685 -12.126 1.00 11.11 H new ATOM 10 N SER A 2 -30.471 -5.027 -11.772 1.00 10.08 N ATOM 11 CA SER A 2 -29.369 -4.288 -12.371 1.00 9.47 C ATOM 12 C SER A 2 -28.018 -4.933 -12.053 1.00 8.68 C ATOM 13 O SER A 2 -27.149 -4.316 -11.438 1.00 8.69 O ATOM 14 CB SER A 2 -29.401 -2.840 -11.877 1.00 9.96 C ATOM 15 OG SER A 2 -30.684 -2.272 -12.082 1.00 10.61 O ATOM 0 H SER A 2 -30.827 -4.621 -10.906 1.00 10.08 H new ATOM 0 HA SER A 2 -29.490 -4.308 -13.454 1.00 9.47 H new ATOM 0 HB2 SER A 2 -29.147 -2.806 -10.818 1.00 9.96 H new ATOM 0 HB3 SER A 2 -28.649 -2.253 -12.404 1.00 9.96 H new ATOM 0 HG SER A 2 -30.688 -1.347 -11.759 1.00 10.61 H new ATOM 21 N HIS A 3 -27.849 -6.177 -12.483 1.00 8.25 N ATOM 22 CA HIS A 3 -26.601 -6.898 -12.262 1.00 7.71 C ATOM 23 C HIS A 3 -25.576 -6.544 -13.331 1.00 6.90 C ATOM 24 O HIS A 3 -24.506 -6.020 -13.034 1.00 6.93 O ATOM 25 CB HIS A 3 -26.831 -8.411 -12.263 1.00 8.30 C ATOM 26 CG HIS A 3 -27.601 -8.925 -11.086 1.00 8.89 C ATOM 27 ND1 HIS A 3 -28.812 -9.570 -11.201 1.00 9.51 N ATOM 28 CD2 HIS A 3 -27.306 -8.919 -9.766 1.00 9.23 C ATOM 29 CE1 HIS A 3 -29.225 -9.939 -10.004 1.00 10.14 C ATOM 30 NE2 HIS A 3 -28.329 -9.558 -9.115 1.00 9.99 N ATOM 0 H HIS A 3 -28.560 -6.708 -12.987 1.00 8.25 H new ATOM 0 HA HIS A 3 -26.220 -6.599 -11.285 1.00 7.71 H new ATOM 0 HB2 HIS A 3 -27.362 -8.684 -13.175 1.00 8.30 H new ATOM 0 HB3 HIS A 3 -25.864 -8.912 -12.295 1.00 8.30 H new ATOM 0 HD2 HIS A 3 -26.426 -8.490 -9.309 1.00 9.23 H new ATOM 0 HE1 HIS A 3 -30.143 -10.465 -9.788 1.00 10.14 H new ATOM 0 HE2 HIS A 3 -28.387 -9.713 -8.109 1.00 9.99 H new ATOM 39 N MET A 4 -25.927 -6.815 -14.586 1.00 6.50 N ATOM 40 CA MET A 4 -25.009 -6.610 -15.707 1.00 6.05 C ATOM 41 C MET A 4 -24.846 -5.127 -16.047 1.00 5.19 C ATOM 42 O MET A 4 -24.017 -4.767 -16.883 1.00 5.17 O ATOM 43 CB MET A 4 -25.500 -7.371 -16.944 1.00 6.67 C ATOM 44 CG MET A 4 -26.844 -6.891 -17.469 1.00 7.26 C ATOM 45 SD MET A 4 -27.354 -7.752 -18.971 1.00 8.18 S ATOM 46 CE MET A 4 -27.408 -9.450 -18.393 1.00 8.77 C ATOM 0 H MET A 4 -26.842 -7.178 -14.854 1.00 6.50 H new ATOM 0 HA MET A 4 -24.036 -6.995 -15.403 1.00 6.05 H new ATOM 0 HB2 MET A 4 -24.757 -7.276 -17.736 1.00 6.67 H new ATOM 0 HB3 MET A 4 -25.573 -8.431 -16.701 1.00 6.67 H new ATOM 0 HG2 MET A 4 -27.602 -7.033 -16.699 1.00 7.26 H new ATOM 0 HG3 MET A 4 -26.790 -5.821 -17.669 1.00 7.26 H new ATOM 0 HE1 MET A 4 -27.999 -10.051 -19.084 1.00 8.77 H new ATOM 0 HE2 MET A 4 -26.395 -9.849 -18.340 1.00 8.77 H new ATOM 0 HE3 MET A 4 -27.863 -9.483 -17.403 1.00 8.77 H new ATOM 56 N VAL A 5 -25.641 -4.274 -15.407 1.00 4.89 N ATOM 57 CA VAL A 5 -25.581 -2.837 -15.664 1.00 4.47 C ATOM 58 C VAL A 5 -24.253 -2.261 -15.190 1.00 4.02 C ATOM 59 O VAL A 5 -23.431 -1.819 -15.992 1.00 4.26 O ATOM 60 CB VAL A 5 -26.739 -2.086 -14.971 1.00 5.11 C ATOM 61 CG1 VAL A 5 -26.696 -0.599 -15.292 1.00 5.46 C ATOM 62 CG2 VAL A 5 -28.077 -2.676 -15.377 1.00 5.74 C ATOM 0 H VAL A 5 -26.332 -4.551 -14.709 1.00 4.89 H new ATOM 0 HA VAL A 5 -25.674 -2.700 -16.741 1.00 4.47 H new ATOM 0 HB VAL A 5 -26.619 -2.205 -13.894 1.00 5.11 H new ATOM 0 HG11 VAL A 5 -27.522 -0.095 -14.791 1.00 5.46 H new ATOM 0 HG12 VAL A 5 -25.752 -0.179 -14.946 1.00 5.46 H new ATOM 0 HG13 VAL A 5 -26.783 -0.457 -16.369 1.00 5.46 H new ATOM 0 HG21 VAL A 5 -28.880 -2.133 -14.878 1.00 5.74 H new ATOM 0 HG22 VAL A 5 -28.199 -2.593 -16.457 1.00 5.74 H new ATOM 0 HG23 VAL A 5 -28.114 -3.726 -15.088 1.00 5.74 H new ATOM 72 N GLU A 6 -24.041 -2.293 -13.880 1.00 3.71 N ATOM 73 CA GLU A 6 -22.823 -1.763 -13.296 1.00 3.56 C ATOM 74 C GLU A 6 -22.404 -2.595 -12.091 1.00 3.07 C ATOM 75 O GLU A 6 -23.213 -2.887 -11.206 1.00 3.23 O ATOM 76 CB GLU A 6 -23.009 -0.290 -12.907 1.00 4.14 C ATOM 77 CG GLU A 6 -24.182 -0.036 -11.972 1.00 4.54 C ATOM 78 CD GLU A 6 -24.412 1.437 -11.705 1.00 5.11 C ATOM 79 OE1 GLU A 6 -23.585 2.057 -11.010 1.00 5.70 O ATOM 80 OE2 GLU A 6 -25.437 1.979 -12.172 1.00 5.29 O ATOM 0 H GLU A 6 -24.699 -2.681 -13.205 1.00 3.71 H new ATOM 0 HA GLU A 6 -22.029 -1.819 -14.040 1.00 3.56 H new ATOM 0 HB2 GLU A 6 -22.096 0.067 -12.431 1.00 4.14 H new ATOM 0 HB3 GLU A 6 -23.147 0.299 -13.814 1.00 4.14 H new ATOM 0 HG2 GLU A 6 -25.085 -0.468 -12.404 1.00 4.54 H new ATOM 0 HG3 GLU A 6 -24.005 -0.549 -11.027 1.00 4.54 H new ATOM 87 N ARG A 7 -21.150 -3.006 -12.091 1.00 2.85 N ATOM 88 CA ARG A 7 -20.584 -3.759 -10.984 1.00 2.62 C ATOM 89 C ARG A 7 -19.433 -2.982 -10.360 1.00 2.19 C ATOM 90 O ARG A 7 -18.307 -3.019 -10.857 1.00 2.44 O ATOM 91 CB ARG A 7 -20.106 -5.125 -11.471 1.00 3.27 C ATOM 92 CG ARG A 7 -21.240 -6.073 -11.833 1.00 3.86 C ATOM 93 CD ARG A 7 -20.750 -7.217 -12.701 1.00 4.69 C ATOM 94 NE ARG A 7 -20.350 -6.752 -14.025 1.00 5.27 N ATOM 95 CZ ARG A 7 -19.769 -7.520 -14.946 1.00 6.08 C ATOM 96 NH1 ARG A 7 -19.453 -8.780 -14.670 1.00 6.40 N ATOM 97 NH2 ARG A 7 -19.498 -7.023 -16.145 1.00 6.85 N ATOM 0 H ARG A 7 -20.496 -2.829 -12.854 1.00 2.85 H new ATOM 0 HA ARG A 7 -21.352 -3.910 -10.226 1.00 2.62 H new ATOM 0 HB2 ARG A 7 -19.466 -4.987 -12.343 1.00 3.27 H new ATOM 0 HB3 ARG A 7 -19.493 -5.584 -10.695 1.00 3.27 H new ATOM 0 HG2 ARG A 7 -21.688 -6.471 -10.923 1.00 3.86 H new ATOM 0 HG3 ARG A 7 -22.021 -5.524 -12.359 1.00 3.86 H new ATOM 0 HD2 ARG A 7 -19.906 -7.707 -12.216 1.00 4.69 H new ATOM 0 HD3 ARG A 7 -21.538 -7.964 -12.799 1.00 4.69 H new ATOM 0 HE ARG A 7 -20.527 -5.775 -14.261 1.00 5.27 H new ATOM 0 HH11 ARG A 7 -19.655 -9.166 -13.748 1.00 6.40 H new ATOM 0 HH12 ARG A 7 -19.008 -9.362 -15.380 1.00 6.40 H new ATOM 0 HH21 ARG A 7 -19.734 -6.055 -16.361 1.00 6.85 H new ATOM 0 HH22 ARG A 7 -19.053 -7.609 -16.851 1.00 6.85 H new ATOM 111 N PRO A 8 -19.712 -2.248 -9.276 1.00 2.01 N ATOM 112 CA PRO A 8 -18.707 -1.425 -8.598 1.00 2.04 C ATOM 113 C PRO A 8 -17.646 -2.272 -7.901 1.00 1.71 C ATOM 114 O PRO A 8 -17.969 -3.189 -7.143 1.00 1.69 O ATOM 115 CB PRO A 8 -19.522 -0.638 -7.570 1.00 2.57 C ATOM 116 CG PRO A 8 -20.735 -1.468 -7.324 1.00 2.80 C ATOM 117 CD PRO A 8 -21.031 -2.163 -8.623 1.00 2.42 C ATOM 0 HA PRO A 8 -18.158 -0.793 -9.296 1.00 2.04 H new ATOM 0 HB2 PRO A 8 -18.956 -0.484 -6.651 1.00 2.57 H new ATOM 0 HB3 PRO A 8 -19.789 0.349 -7.949 1.00 2.57 H new ATOM 0 HG2 PRO A 8 -20.559 -2.190 -6.526 1.00 2.80 H new ATOM 0 HG3 PRO A 8 -21.576 -0.848 -7.013 1.00 2.80 H new ATOM 0 HD2 PRO A 8 -21.463 -3.151 -8.461 1.00 2.42 H new ATOM 0 HD3 PRO A 8 -21.742 -1.599 -9.227 1.00 2.42 H new ATOM 125 N PRO A 9 -16.361 -1.983 -8.163 1.00 1.83 N ATOM 126 CA PRO A 9 -15.240 -2.689 -7.538 1.00 1.84 C ATOM 127 C PRO A 9 -15.265 -2.558 -6.018 1.00 1.40 C ATOM 128 O PRO A 9 -15.520 -1.475 -5.481 1.00 1.72 O ATOM 129 CB PRO A 9 -13.998 -1.994 -8.110 1.00 2.47 C ATOM 130 CG PRO A 9 -14.486 -0.694 -8.654 1.00 2.76 C ATOM 131 CD PRO A 9 -15.900 -0.940 -9.096 1.00 2.36 C ATOM 0 HA PRO A 9 -15.269 -3.759 -7.744 1.00 1.84 H new ATOM 0 HB2 PRO A 9 -13.244 -1.839 -7.338 1.00 2.47 H new ATOM 0 HB3 PRO A 9 -13.535 -2.597 -8.891 1.00 2.47 H new ATOM 0 HG2 PRO A 9 -14.444 0.088 -7.896 1.00 2.76 H new ATOM 0 HG3 PRO A 9 -13.868 -0.362 -9.488 1.00 2.76 H new ATOM 0 HD2 PRO A 9 -16.508 -0.038 -9.026 1.00 2.36 H new ATOM 0 HD3 PRO A 9 -15.947 -1.276 -10.132 1.00 2.36 H new ATOM 139 N VAL A 10 -15.016 -3.658 -5.325 1.00 1.18 N ATOM 140 CA VAL A 10 -15.011 -3.641 -3.876 1.00 0.94 C ATOM 141 C VAL A 10 -13.684 -3.081 -3.377 1.00 0.94 C ATOM 142 O VAL A 10 -12.637 -3.288 -3.995 1.00 1.76 O ATOM 143 CB VAL A 10 -15.258 -5.048 -3.275 1.00 1.25 C ATOM 144 CG1 VAL A 10 -14.054 -5.957 -3.468 1.00 1.90 C ATOM 145 CG2 VAL A 10 -15.620 -4.942 -1.803 1.00 2.00 C ATOM 0 H VAL A 10 -14.816 -4.567 -5.742 1.00 1.18 H new ATOM 0 HA VAL A 10 -15.830 -3.002 -3.546 1.00 0.94 H new ATOM 0 HB VAL A 10 -16.096 -5.495 -3.809 1.00 1.25 H new ATOM 0 HG11 VAL A 10 -14.263 -6.935 -3.034 1.00 1.90 H new ATOM 0 HG12 VAL A 10 -13.849 -6.069 -4.533 1.00 1.90 H new ATOM 0 HG13 VAL A 10 -13.185 -5.520 -2.975 1.00 1.90 H new ATOM 0 HG21 VAL A 10 -15.790 -5.939 -1.397 1.00 2.00 H new ATOM 0 HG22 VAL A 10 -14.804 -4.464 -1.261 1.00 2.00 H new ATOM 0 HG23 VAL A 10 -16.526 -4.346 -1.693 1.00 2.00 H new ATOM 155 N VAL A 11 -13.737 -2.344 -2.285 1.00 0.62 N ATOM 156 CA VAL A 11 -12.541 -1.784 -1.691 1.00 0.61 C ATOM 157 C VAL A 11 -12.290 -2.441 -0.342 1.00 0.62 C ATOM 158 O VAL A 11 -12.833 -2.022 0.681 1.00 0.93 O ATOM 159 CB VAL A 11 -12.655 -0.256 -1.531 1.00 0.76 C ATOM 160 CG1 VAL A 11 -11.367 0.320 -0.976 1.00 1.35 C ATOM 161 CG2 VAL A 11 -12.991 0.398 -2.862 1.00 0.95 C ATOM 0 H VAL A 11 -14.600 -2.119 -1.790 1.00 0.62 H new ATOM 0 HA VAL A 11 -11.700 -1.982 -2.355 1.00 0.61 H new ATOM 0 HB VAL A 11 -13.461 -0.047 -0.828 1.00 0.76 H new ATOM 0 HG11 VAL A 11 -11.467 1.400 -0.870 1.00 1.35 H new ATOM 0 HG12 VAL A 11 -11.161 -0.122 -0.001 1.00 1.35 H new ATOM 0 HG13 VAL A 11 -10.546 0.097 -1.657 1.00 1.35 H new ATOM 0 HG21 VAL A 11 -13.067 1.477 -2.728 1.00 0.95 H new ATOM 0 HG22 VAL A 11 -12.206 0.177 -3.585 1.00 0.95 H new ATOM 0 HG23 VAL A 11 -13.941 0.010 -3.229 1.00 0.95 H new ATOM 171 N THR A 12 -11.486 -3.488 -0.351 1.00 0.44 N ATOM 172 CA THR A 12 -11.238 -4.263 0.853 1.00 0.45 C ATOM 173 C THR A 12 -10.237 -3.561 1.768 1.00 0.41 C ATOM 174 O THR A 12 -9.123 -3.261 1.358 1.00 0.50 O ATOM 175 CB THR A 12 -10.712 -5.669 0.510 1.00 0.54 C ATOM 176 OG1 THR A 12 -11.638 -6.335 -0.361 1.00 0.61 O ATOM 177 CG2 THR A 12 -10.512 -6.497 1.768 1.00 0.64 C ATOM 0 H THR A 12 -10.993 -3.822 -1.179 1.00 0.44 H new ATOM 0 HA THR A 12 -12.191 -4.355 1.374 1.00 0.45 H new ATOM 0 HB THR A 12 -9.749 -5.561 0.010 1.00 0.54 H new ATOM 0 HG1 THR A 12 -12.076 -7.066 0.124 1.00 0.61 H new ATOM 0 HG21 THR A 12 -10.140 -7.485 1.498 1.00 0.64 H new ATOM 0 HG22 THR A 12 -9.790 -6.003 2.418 1.00 0.64 H new ATOM 0 HG23 THR A 12 -11.462 -6.598 2.292 1.00 0.64 H new ATOM 185 N ILE A 13 -10.644 -3.307 3.002 1.00 0.40 N ATOM 186 CA ILE A 13 -9.774 -2.674 3.980 1.00 0.40 C ATOM 187 C ILE A 13 -9.052 -3.731 4.806 1.00 0.37 C ATOM 188 O ILE A 13 -9.660 -4.415 5.628 1.00 0.52 O ATOM 189 CB ILE A 13 -10.561 -1.741 4.930 1.00 0.52 C ATOM 190 CG1 ILE A 13 -11.192 -0.588 4.146 1.00 1.15 C ATOM 191 CG2 ILE A 13 -9.656 -1.202 6.033 1.00 1.26 C ATOM 192 CD1 ILE A 13 -11.947 0.393 5.020 1.00 1.30 C ATOM 0 H ILE A 13 -11.576 -3.531 3.351 1.00 0.40 H new ATOM 0 HA ILE A 13 -9.051 -2.074 3.428 1.00 0.40 H new ATOM 0 HB ILE A 13 -11.357 -2.322 5.395 1.00 0.52 H new ATOM 0 HG12 ILE A 13 -10.410 -0.055 3.606 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -11.873 -0.996 3.399 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -10.231 -0.548 6.689 1.00 1.26 H new ATOM 0 HG22 ILE A 13 -9.253 -2.033 6.612 1.00 1.26 H new ATOM 0 HG23 ILE A 13 -8.836 -0.639 5.588 1.00 1.26 H new ATOM 0 HD11 ILE A 13 -12.368 1.184 4.399 1.00 1.30 H new ATOM 0 HD12 ILE A 13 -12.751 -0.127 5.540 1.00 1.30 H new ATOM 0 HD13 ILE A 13 -11.265 0.829 5.750 1.00 1.30 H new ATOM 204 N MET A 14 -7.759 -3.874 4.574 1.00 0.26 N ATOM 205 CA MET A 14 -6.953 -4.805 5.329 1.00 0.28 C ATOM 206 C MET A 14 -5.706 -4.110 5.842 1.00 0.24 C ATOM 207 O MET A 14 -5.443 -2.966 5.493 1.00 0.29 O ATOM 208 CB MET A 14 -6.573 -6.012 4.477 1.00 0.36 C ATOM 209 CG MET A 14 -7.635 -7.103 4.452 1.00 0.49 C ATOM 210 SD MET A 14 -7.049 -8.632 3.690 1.00 0.79 S ATOM 211 CE MET A 14 -6.640 -8.057 2.044 1.00 0.69 C ATOM 0 H MET A 14 -7.246 -3.352 3.863 1.00 0.26 H new ATOM 0 HA MET A 14 -7.539 -5.160 6.177 1.00 0.28 H new ATOM 0 HB2 MET A 14 -6.382 -5.680 3.457 1.00 0.36 H new ATOM 0 HB3 MET A 14 -5.641 -6.433 4.854 1.00 0.36 H new ATOM 0 HG2 MET A 14 -7.959 -7.312 5.472 1.00 0.49 H new ATOM 0 HG3 MET A 14 -8.508 -6.742 3.907 1.00 0.49 H new ATOM 0 HE1 MET A 14 -6.573 -8.909 1.367 1.00 0.69 H new ATOM 0 HE2 MET A 14 -7.415 -7.376 1.694 1.00 0.69 H new ATOM 0 HE3 MET A 14 -5.683 -7.536 2.068 1.00 0.69 H new ATOM 221 N GLY A 15 -4.949 -4.801 6.672 1.00 0.27 N ATOM 222 CA GLY A 15 -3.770 -4.223 7.253 1.00 0.27 C ATOM 223 C GLY A 15 -3.497 -4.806 8.610 1.00 0.24 C ATOM 224 O GLY A 15 -3.948 -5.913 8.911 1.00 0.31 O ATOM 0 H GLY A 15 -5.136 -5.763 6.954 1.00 0.27 H new ATOM 0 HA2 GLY A 15 -2.915 -4.398 6.600 1.00 0.27 H new ATOM 0 HA3 GLY A 15 -3.893 -3.143 7.335 1.00 0.27 H new ATOM 228 N HIS A 16 -2.766 -4.079 9.431 1.00 0.20 N ATOM 229 CA HIS A 16 -2.439 -4.567 10.763 1.00 0.17 C ATOM 230 C HIS A 16 -3.422 -4.060 11.809 1.00 0.19 C ATOM 231 O HIS A 16 -4.136 -3.074 11.614 1.00 0.22 O ATOM 232 CB HIS A 16 -1.018 -4.173 11.163 1.00 0.17 C ATOM 233 CG HIS A 16 -0.525 -4.865 12.402 1.00 0.16 C ATOM 234 ND1 HIS A 16 -0.589 -6.231 12.542 1.00 0.16 N ATOM 235 CD2 HIS A 16 -0.001 -4.335 13.526 1.00 0.19 C ATOM 236 CE1 HIS A 16 -0.109 -6.490 13.747 1.00 0.19 C ATOM 237 NE2 HIS A 16 0.262 -5.373 14.376 1.00 0.22 N ATOM 0 H HIS A 16 -2.389 -3.158 9.207 1.00 0.20 H new ATOM 0 HA HIS A 16 -2.509 -5.654 10.723 1.00 0.17 H new ATOM 0 HB2 HIS A 16 -0.342 -4.399 10.338 1.00 0.17 H new ATOM 0 HB3 HIS A 16 -0.980 -3.095 11.320 1.00 0.17 H new ATOM 0 HD2 HIS A 16 0.177 -3.287 13.718 1.00 0.19 H new ATOM 0 HE1 HIS A 16 -0.028 -7.481 14.169 1.00 0.19 H new ATOM 0 HE2 HIS A 16 0.664 -5.306 15.311 1.00 0.22 H new ATOM 245 N VAL A 17 -3.438 -4.763 12.925 1.00 0.20 N ATOM 246 CA VAL A 17 -4.237 -4.413 14.079 1.00 0.25 C ATOM 247 C VAL A 17 -3.571 -3.296 14.869 1.00 0.26 C ATOM 248 O VAL A 17 -2.354 -3.129 14.808 1.00 0.25 O ATOM 249 CB VAL A 17 -4.417 -5.652 14.965 1.00 0.29 C ATOM 250 CG1 VAL A 17 -3.068 -6.276 15.279 1.00 0.30 C ATOM 251 CG2 VAL A 17 -5.134 -5.347 16.256 1.00 0.36 C ATOM 0 H VAL A 17 -2.884 -5.610 13.055 1.00 0.20 H new ATOM 0 HA VAL A 17 -5.213 -4.060 13.745 1.00 0.25 H new ATOM 0 HB VAL A 17 -5.034 -6.350 14.400 1.00 0.29 H new ATOM 0 HG11 VAL A 17 -3.211 -7.154 15.909 1.00 0.30 H new ATOM 0 HG12 VAL A 17 -2.579 -6.571 14.351 1.00 0.30 H new ATOM 0 HG13 VAL A 17 -2.445 -5.551 15.803 1.00 0.30 H new ATOM 0 HG21 VAL A 17 -5.233 -6.261 16.842 1.00 0.36 H new ATOM 0 HG22 VAL A 17 -4.564 -4.612 16.824 1.00 0.36 H new ATOM 0 HG23 VAL A 17 -6.124 -4.948 16.037 1.00 0.36 H new ATOM 261 N ASP A 18 -4.383 -2.514 15.575 1.00 0.31 N ATOM 262 CA ASP A 18 -3.913 -1.372 16.361 1.00 0.36 C ATOM 263 C ASP A 18 -3.522 -0.223 15.437 1.00 0.34 C ATOM 264 O ASP A 18 -3.471 0.931 15.849 1.00 0.41 O ATOM 265 CB ASP A 18 -2.754 -1.768 17.285 1.00 0.42 C ATOM 266 CG ASP A 18 -2.361 -0.659 18.242 1.00 0.55 C ATOM 267 OD1 ASP A 18 -2.928 -0.612 19.353 1.00 0.69 O ATOM 268 OD2 ASP A 18 -1.483 0.162 17.896 1.00 0.59 O ATOM 0 H ASP A 18 -5.392 -2.654 15.620 1.00 0.31 H new ATOM 0 HA ASP A 18 -4.729 -1.035 17.000 1.00 0.36 H new ATOM 0 HB2 ASP A 18 -3.037 -2.652 17.857 1.00 0.42 H new ATOM 0 HB3 ASP A 18 -1.890 -2.043 16.680 1.00 0.42 H new ATOM 273 N HIS A 19 -3.253 -0.548 14.176 1.00 0.29 N ATOM 274 CA HIS A 19 -3.138 0.466 13.145 1.00 0.32 C ATOM 275 C HIS A 19 -4.524 1.008 12.862 1.00 0.43 C ATOM 276 O HIS A 19 -4.679 2.093 12.322 1.00 0.63 O ATOM 277 CB HIS A 19 -2.522 -0.091 11.857 1.00 0.29 C ATOM 278 CG HIS A 19 -1.133 -0.615 12.015 1.00 0.22 C ATOM 279 ND1 HIS A 19 -0.355 -0.907 10.920 1.00 0.27 N ATOM 280 CD2 HIS A 19 -0.434 -0.890 13.140 1.00 0.21 C ATOM 281 CE1 HIS A 19 0.790 -1.353 11.401 1.00 0.26 C ATOM 282 NE2 HIS A 19 0.785 -1.359 12.736 1.00 0.24 N ATOM 0 H HIS A 19 -3.112 -1.504 13.849 1.00 0.29 H new ATOM 0 HA HIS A 19 -2.475 1.255 13.499 1.00 0.32 H new ATOM 0 HB2 HIS A 19 -3.159 -0.892 11.481 1.00 0.29 H new ATOM 0 HB3 HIS A 19 -2.517 0.695 11.101 1.00 0.29 H new ATOM 0 HD2 HIS A 19 -0.773 -0.764 14.158 1.00 0.21 H new ATOM 0 HE1 HIS A 19 1.624 -1.672 10.793 1.00 0.26 H new ATOM 0 HE2 HIS A 19 1.549 -1.658 13.342 1.00 0.24 H new ATOM 290 N GLY A 20 -5.529 0.219 13.228 1.00 0.42 N ATOM 291 CA GLY A 20 -6.894 0.691 13.195 1.00 0.54 C ATOM 292 C GLY A 20 -7.749 0.004 12.164 1.00 0.57 C ATOM 293 O GLY A 20 -8.304 0.668 11.292 1.00 0.79 O ATOM 0 H GLY A 20 -5.418 -0.743 13.548 1.00 0.42 H new ATOM 0 HA2 GLY A 20 -7.342 0.548 14.178 1.00 0.54 H new ATOM 0 HA3 GLY A 20 -6.893 1.763 12.997 1.00 0.54 H new ATOM 297 N LYS A 21 -7.873 -1.314 12.247 1.00 0.61 N ATOM 298 CA LYS A 21 -8.773 -2.024 11.349 1.00 0.95 C ATOM 299 C LYS A 21 -10.212 -1.502 11.482 1.00 0.89 C ATOM 300 O LYS A 21 -10.773 -0.955 10.533 1.00 1.05 O ATOM 301 CB LYS A 21 -8.729 -3.523 11.630 1.00 1.36 C ATOM 302 CG LYS A 21 -9.808 -4.302 10.893 1.00 1.79 C ATOM 303 CD LYS A 21 -9.666 -4.165 9.386 1.00 2.30 C ATOM 304 CE LYS A 21 -8.632 -5.130 8.828 1.00 2.66 C ATOM 305 NZ LYS A 21 -9.098 -6.541 8.891 1.00 3.31 N ATOM 0 H LYS A 21 -7.373 -1.903 12.913 1.00 0.61 H new ATOM 0 HA LYS A 21 -8.439 -1.845 10.327 1.00 0.95 H new ATOM 0 HB2 LYS A 21 -7.751 -3.911 11.345 1.00 1.36 H new ATOM 0 HB3 LYS A 21 -8.838 -3.689 12.702 1.00 1.36 H new ATOM 0 HG2 LYS A 21 -9.751 -5.355 11.170 1.00 1.79 H new ATOM 0 HG3 LYS A 21 -10.790 -3.944 11.201 1.00 1.79 H new ATOM 0 HD2 LYS A 21 -10.630 -4.350 8.911 1.00 2.30 H new ATOM 0 HD3 LYS A 21 -9.380 -3.143 9.139 1.00 2.30 H new ATOM 0 HE2 LYS A 21 -8.411 -4.867 7.794 1.00 2.66 H new ATOM 0 HE3 LYS A 21 -7.702 -5.030 9.388 1.00 2.66 H new ATOM 0 HZ1 LYS A 21 -8.279 -7.172 9.001 1.00 3.31 H new ATOM 0 HZ2 LYS A 21 -9.738 -6.659 9.702 1.00 3.31 H new ATOM 0 HZ3 LYS A 21 -9.603 -6.779 8.014 1.00 3.31 H new ATOM 319 N THR A 22 -10.799 -1.657 12.664 1.00 0.84 N ATOM 320 CA THR A 22 -12.188 -1.276 12.886 1.00 0.87 C ATOM 321 C THR A 22 -12.363 0.239 12.917 1.00 0.79 C ATOM 322 O THR A 22 -13.320 0.780 12.359 1.00 0.79 O ATOM 323 CB THR A 22 -12.711 -1.874 14.206 1.00 1.02 C ATOM 324 OG1 THR A 22 -11.736 -1.684 15.237 1.00 1.21 O ATOM 325 CG2 THR A 22 -13.013 -3.354 14.046 1.00 1.18 C ATOM 0 H THR A 22 -10.333 -2.045 13.484 1.00 0.84 H new ATOM 0 HA THR A 22 -12.764 -1.672 12.050 1.00 0.87 H new ATOM 0 HB THR A 22 -13.635 -1.364 14.478 1.00 1.02 H new ATOM 0 HG1 THR A 22 -11.012 -2.335 15.126 1.00 1.21 H new ATOM 0 HG21 THR A 22 -13.381 -3.754 14.991 1.00 1.18 H new ATOM 0 HG22 THR A 22 -13.771 -3.489 13.275 1.00 1.18 H new ATOM 0 HG23 THR A 22 -12.104 -3.882 13.758 1.00 1.18 H new ATOM 333 N THR A 23 -11.422 0.918 13.556 1.00 0.75 N ATOM 334 CA THR A 23 -11.500 2.359 13.737 1.00 0.75 C ATOM 335 C THR A 23 -11.498 3.106 12.405 1.00 0.67 C ATOM 336 O THR A 23 -12.080 4.171 12.298 1.00 0.66 O ATOM 337 CB THR A 23 -10.341 2.860 14.606 1.00 0.82 C ATOM 338 OG1 THR A 23 -10.243 2.059 15.790 1.00 1.25 O ATOM 339 CG2 THR A 23 -10.534 4.318 14.998 1.00 1.17 C ATOM 0 H THR A 23 -10.589 0.490 13.961 1.00 0.75 H new ATOM 0 HA THR A 23 -12.446 2.563 14.238 1.00 0.75 H new ATOM 0 HB THR A 23 -9.423 2.779 14.024 1.00 0.82 H new ATOM 0 HG1 THR A 23 -9.500 2.381 16.342 1.00 1.25 H new ATOM 0 HG21 THR A 23 -9.695 4.643 15.614 1.00 1.17 H new ATOM 0 HG22 THR A 23 -10.584 4.933 14.099 1.00 1.17 H new ATOM 0 HG23 THR A 23 -11.461 4.424 15.562 1.00 1.17 H new ATOM 347 N LEU A 24 -10.892 2.524 11.384 1.00 0.65 N ATOM 348 CA LEU A 24 -10.755 3.195 10.097 1.00 0.63 C ATOM 349 C LEU A 24 -12.113 3.290 9.426 1.00 0.64 C ATOM 350 O LEU A 24 -12.603 4.373 9.124 1.00 0.65 O ATOM 351 CB LEU A 24 -9.807 2.409 9.213 1.00 0.67 C ATOM 352 CG LEU A 24 -9.053 3.196 8.128 1.00 0.84 C ATOM 353 CD1 LEU A 24 -10.001 3.740 7.069 1.00 1.49 C ATOM 354 CD2 LEU A 24 -8.246 4.325 8.754 1.00 1.30 C ATOM 0 H LEU A 24 -10.486 1.589 11.419 1.00 0.65 H new ATOM 0 HA LEU A 24 -10.357 4.198 10.253 1.00 0.63 H new ATOM 0 HB2 LEU A 24 -9.071 1.923 9.853 1.00 0.67 H new ATOM 0 HB3 LEU A 24 -10.376 1.618 8.725 1.00 0.67 H new ATOM 0 HG LEU A 24 -8.368 2.507 7.634 1.00 0.84 H new ATOM 0 HD11 LEU A 24 -9.432 4.290 6.319 1.00 1.49 H new ATOM 0 HD12 LEU A 24 -10.526 2.913 6.591 1.00 1.49 H new ATOM 0 HD13 LEU A 24 -10.725 4.407 7.537 1.00 1.49 H new ATOM 0 HD21 LEU A 24 -7.719 4.872 7.972 1.00 1.30 H new ATOM 0 HD22 LEU A 24 -8.917 5.003 9.282 1.00 1.30 H new ATOM 0 HD23 LEU A 24 -7.524 3.910 9.457 1.00 1.30 H new ATOM 366 N LEU A 25 -12.720 2.131 9.239 1.00 0.68 N ATOM 367 CA LEU A 25 -14.012 2.009 8.595 1.00 0.75 C ATOM 368 C LEU A 25 -15.114 2.657 9.440 1.00 0.74 C ATOM 369 O LEU A 25 -16.219 2.887 8.959 1.00 0.82 O ATOM 370 CB LEU A 25 -14.253 0.512 8.346 1.00 0.85 C ATOM 371 CG LEU A 25 -15.694 0.062 8.163 1.00 0.92 C ATOM 372 CD1 LEU A 25 -15.740 -1.190 7.301 1.00 1.63 C ATOM 373 CD2 LEU A 25 -16.316 -0.217 9.519 1.00 1.69 C ATOM 0 H LEU A 25 -12.323 1.239 9.534 1.00 0.68 H new ATOM 0 HA LEU A 25 -14.030 2.542 7.644 1.00 0.75 H new ATOM 0 HB2 LEU A 25 -13.693 0.223 7.457 1.00 0.85 H new ATOM 0 HB3 LEU A 25 -13.830 -0.042 9.183 1.00 0.85 H new ATOM 0 HG LEU A 25 -16.258 0.852 7.667 1.00 0.92 H new ATOM 0 HD11 LEU A 25 -16.775 -1.507 7.174 1.00 1.63 H new ATOM 0 HD12 LEU A 25 -15.304 -0.976 6.325 1.00 1.63 H new ATOM 0 HD13 LEU A 25 -15.174 -1.986 7.785 1.00 1.63 H new ATOM 0 HD21 LEU A 25 -17.349 -0.539 9.386 1.00 1.69 H new ATOM 0 HD22 LEU A 25 -15.753 -1.002 10.023 1.00 1.69 H new ATOM 0 HD23 LEU A 25 -16.294 0.690 10.123 1.00 1.69 H new ATOM 385 N ASP A 26 -14.801 2.985 10.692 1.00 0.71 N ATOM 386 CA ASP A 26 -15.779 3.611 11.576 1.00 0.75 C ATOM 387 C ASP A 26 -15.555 5.104 11.606 1.00 0.70 C ATOM 388 O ASP A 26 -16.494 5.901 11.639 1.00 0.76 O ATOM 389 CB ASP A 26 -15.665 3.060 12.979 1.00 0.81 C ATOM 390 CG ASP A 26 -16.866 3.406 13.839 1.00 1.01 C ATOM 391 OD1 ASP A 26 -17.945 2.813 13.628 1.00 1.13 O ATOM 392 OD2 ASP A 26 -16.748 4.289 14.713 1.00 1.23 O ATOM 0 H ASP A 26 -13.885 2.829 11.114 1.00 0.71 H new ATOM 0 HA ASP A 26 -16.776 3.393 11.194 1.00 0.75 H new ATOM 0 HB2 ASP A 26 -15.556 1.976 12.932 1.00 0.81 H new ATOM 0 HB3 ASP A 26 -14.762 3.452 13.447 1.00 0.81 H new ATOM 397 N ALA A 27 -14.289 5.474 11.574 1.00 0.63 N ATOM 398 CA ALA A 27 -13.901 6.875 11.549 1.00 0.61 C ATOM 399 C ALA A 27 -14.250 7.472 10.202 1.00 0.58 C ATOM 400 O ALA A 27 -14.607 8.645 10.092 1.00 0.62 O ATOM 401 CB ALA A 27 -12.411 7.003 11.805 1.00 0.61 C ATOM 0 H ALA A 27 -13.506 4.821 11.565 1.00 0.63 H new ATOM 0 HA ALA A 27 -14.439 7.413 12.330 1.00 0.61 H new ATOM 0 HB1 ALA A 27 -12.127 8.055 11.785 1.00 0.61 H new ATOM 0 HB2 ALA A 27 -12.172 6.581 12.781 1.00 0.61 H new ATOM 0 HB3 ALA A 27 -11.862 6.464 11.033 1.00 0.61 H new ATOM 407 N ILE A 28 -14.150 6.635 9.184 1.00 0.56 N ATOM 408 CA ILE A 28 -14.451 7.027 7.825 1.00 0.57 C ATOM 409 C ILE A 28 -15.965 7.202 7.651 1.00 0.64 C ATOM 410 O ILE A 28 -16.417 7.941 6.777 1.00 0.71 O ATOM 411 CB ILE A 28 -13.866 5.985 6.839 1.00 0.61 C ATOM 412 CG1 ILE A 28 -13.534 6.614 5.495 1.00 0.84 C ATOM 413 CG2 ILE A 28 -14.801 4.806 6.644 1.00 1.02 C ATOM 414 CD1 ILE A 28 -12.676 5.708 4.645 1.00 0.85 C ATOM 0 H ILE A 28 -13.857 5.663 9.281 1.00 0.56 H new ATOM 0 HA ILE A 28 -13.986 7.988 7.605 1.00 0.57 H new ATOM 0 HB ILE A 28 -12.943 5.617 7.287 1.00 0.61 H new ATOM 0 HG12 ILE A 28 -14.458 6.843 4.963 1.00 0.84 H new ATOM 0 HG13 ILE A 28 -13.016 7.559 5.655 1.00 0.84 H new ATOM 0 HG21 ILE A 28 -14.354 4.099 5.946 1.00 1.02 H new ATOM 0 HG22 ILE A 28 -14.970 4.313 7.601 1.00 1.02 H new ATOM 0 HG23 ILE A 28 -15.752 5.158 6.245 1.00 1.02 H new ATOM 0 HD11 ILE A 28 -12.462 6.196 3.694 1.00 0.85 H new ATOM 0 HD12 ILE A 28 -11.740 5.500 5.164 1.00 0.85 H new ATOM 0 HD13 ILE A 28 -13.205 4.773 4.462 1.00 0.85 H new ATOM 426 N ARG A 29 -16.739 6.539 8.520 1.00 0.70 N ATOM 427 CA ARG A 29 -18.180 6.772 8.595 1.00 0.82 C ATOM 428 C ARG A 29 -18.431 8.189 9.067 1.00 0.86 C ATOM 429 O ARG A 29 -19.205 8.938 8.481 1.00 1.07 O ATOM 430 CB ARG A 29 -18.865 5.840 9.603 1.00 0.99 C ATOM 431 CG ARG A 29 -18.845 4.365 9.260 1.00 1.06 C ATOM 432 CD ARG A 29 -19.553 3.570 10.345 1.00 1.06 C ATOM 433 NE ARG A 29 -19.569 2.133 10.081 1.00 1.62 N ATOM 434 CZ ARG A 29 -20.025 1.233 10.955 1.00 2.19 C ATOM 435 NH1 ARG A 29 -20.503 1.627 12.130 1.00 2.49 N ATOM 436 NH2 ARG A 29 -20.009 -0.057 10.651 1.00 3.04 N ATOM 0 H ARG A 29 -16.390 5.841 9.177 1.00 0.70 H new ATOM 0 HA ARG A 29 -18.585 6.589 7.600 1.00 0.82 H new ATOM 0 HB2 ARG A 29 -18.388 5.974 10.574 1.00 0.99 H new ATOM 0 HB3 ARG A 29 -19.903 6.154 9.711 1.00 0.99 H new ATOM 0 HG2 ARG A 29 -19.333 4.200 8.299 1.00 1.06 H new ATOM 0 HG3 ARG A 29 -17.816 4.021 9.158 1.00 1.06 H new ATOM 0 HD2 ARG A 29 -19.062 3.753 11.301 1.00 1.06 H new ATOM 0 HD3 ARG A 29 -20.578 3.928 10.440 1.00 1.06 H new ATOM 0 HE ARG A 29 -19.214 1.801 9.184 1.00 1.62 H new ATOM 0 HH11 ARG A 29 -20.522 2.619 12.366 1.00 2.49 H new ATOM 0 HH12 ARG A 29 -20.851 0.937 12.796 1.00 2.49 H new ATOM 0 HH21 ARG A 29 -19.648 -0.364 9.748 1.00 3.04 H new ATOM 0 HH22 ARG A 29 -20.358 -0.743 11.320 1.00 3.04 H new ATOM 450 N HIS A 30 -17.733 8.547 10.135 1.00 0.83 N ATOM 451 CA HIS A 30 -17.956 9.800 10.834 1.00 0.98 C ATOM 452 C HIS A 30 -17.165 10.925 10.196 1.00 0.95 C ATOM 453 O HIS A 30 -16.745 11.878 10.854 1.00 1.10 O ATOM 454 CB HIS A 30 -17.536 9.659 12.277 1.00 1.15 C ATOM 455 CG HIS A 30 -18.264 8.606 13.061 1.00 1.60 C ATOM 456 ND1 HIS A 30 -19.082 7.622 12.650 1.00 2.04 N flip ATOM 457 CD2 HIS A 30 -18.174 8.480 14.428 1.00 2.10 C flip ATOM 458 CE1 HIS A 30 -19.469 6.911 13.758 1.00 2.61 C flip ATOM 459 NE2 HIS A 30 -18.905 7.452 14.821 1.00 2.65 N flip ATOM 0 H HIS A 30 -16.994 7.973 10.541 1.00 0.83 H new ATOM 0 HA HIS A 30 -19.018 10.039 10.774 1.00 0.98 H new ATOM 0 HB2 HIS A 30 -16.469 9.437 12.307 1.00 1.15 H new ATOM 0 HB3 HIS A 30 -17.676 10.619 12.774 1.00 1.15 H new ATOM 0 HD2 HIS A 30 -17.596 9.121 15.078 1.00 2.10 H new ATOM 0 HE1 HIS A 30 -20.125 6.053 13.760 1.00 2.61 H new ATOM 0 HE2 HIS A 30 -19.015 7.131 15.783 1.00 2.65 H new ATOM 468 N SER A 31 -16.937 10.771 8.924 1.00 0.82 N ATOM 469 CA SER A 31 -16.264 11.773 8.126 1.00 0.84 C ATOM 470 C SER A 31 -17.307 12.527 7.314 1.00 1.00 C ATOM 471 O SER A 31 -17.264 13.755 7.213 1.00 1.38 O ATOM 472 CB SER A 31 -15.228 11.111 7.207 1.00 0.78 C ATOM 473 OG SER A 31 -14.357 12.066 6.618 1.00 1.46 O ATOM 0 H SER A 31 -17.213 9.941 8.400 1.00 0.82 H new ATOM 0 HA SER A 31 -15.734 12.473 8.773 1.00 0.84 H new ATOM 0 HB2 SER A 31 -14.643 10.390 7.779 1.00 0.78 H new ATOM 0 HB3 SER A 31 -15.741 10.555 6.422 1.00 0.78 H new ATOM 0 HG SER A 31 -13.711 11.607 6.041 1.00 1.46 H new ATOM 479 N LYS A 32 -18.256 11.772 6.759 1.00 0.91 N ATOM 480 CA LYS A 32 -19.366 12.323 5.995 1.00 1.09 C ATOM 481 C LYS A 32 -20.251 11.185 5.509 1.00 1.10 C ATOM 482 O LYS A 32 -20.082 10.059 5.970 1.00 1.37 O ATOM 483 CB LYS A 32 -18.851 13.181 4.836 1.00 1.39 C ATOM 484 CG LYS A 32 -18.200 12.418 3.694 1.00 1.56 C ATOM 485 CD LYS A 32 -17.349 13.353 2.846 1.00 2.24 C ATOM 486 CE LYS A 32 -16.708 12.643 1.666 1.00 3.10 C ATOM 487 NZ LYS A 32 -15.799 13.546 0.911 1.00 3.92 N ATOM 0 H LYS A 32 -18.272 10.755 6.830 1.00 0.91 H new ATOM 0 HA LYS A 32 -19.963 12.976 6.632 1.00 1.09 H new ATOM 0 HB2 LYS A 32 -19.685 13.757 4.436 1.00 1.39 H new ATOM 0 HB3 LYS A 32 -18.129 13.896 5.230 1.00 1.39 H new ATOM 0 HG2 LYS A 32 -17.581 11.614 4.092 1.00 1.56 H new ATOM 0 HG3 LYS A 32 -18.967 11.953 3.075 1.00 1.56 H new ATOM 0 HD2 LYS A 32 -17.968 14.172 2.481 1.00 2.24 H new ATOM 0 HD3 LYS A 32 -16.570 13.795 3.467 1.00 2.24 H new ATOM 0 HE2 LYS A 32 -16.149 11.777 2.022 1.00 3.10 H new ATOM 0 HE3 LYS A 32 -17.485 12.269 1.000 1.00 3.10 H new ATOM 0 HZ1 LYS A 32 -15.459 13.061 0.056 1.00 3.92 H new ATOM 0 HZ2 LYS A 32 -16.314 14.408 0.638 1.00 3.92 H new ATOM 0 HZ3 LYS A 32 -14.988 13.802 1.510 1.00 3.92 H new ATOM 501 N VAL A 33 -21.162 11.491 4.580 1.00 1.17 N ATOM 502 CA VAL A 33 -22.237 10.584 4.112 1.00 1.39 C ATOM 503 C VAL A 33 -23.040 9.973 5.275 1.00 1.51 C ATOM 504 O VAL A 33 -24.182 10.370 5.524 1.00 2.31 O ATOM 505 CB VAL A 33 -21.774 9.480 3.097 1.00 2.16 C ATOM 506 CG1 VAL A 33 -20.600 8.644 3.588 1.00 3.10 C ATOM 507 CG2 VAL A 33 -22.945 8.574 2.745 1.00 3.06 C ATOM 0 H VAL A 33 -21.180 12.399 4.115 1.00 1.17 H new ATOM 0 HA VAL A 33 -22.902 11.236 3.546 1.00 1.39 H new ATOM 0 HB VAL A 33 -21.422 10.009 2.212 1.00 2.16 H new ATOM 0 HG11 VAL A 33 -20.339 7.904 2.832 1.00 3.10 H new ATOM 0 HG12 VAL A 33 -19.743 9.292 3.772 1.00 3.10 H new ATOM 0 HG13 VAL A 33 -20.876 8.137 4.512 1.00 3.10 H new ATOM 0 HG21 VAL A 33 -22.615 7.811 2.040 1.00 3.06 H new ATOM 0 HG22 VAL A 33 -23.319 8.095 3.650 1.00 3.06 H new ATOM 0 HG23 VAL A 33 -23.740 9.166 2.293 1.00 3.06 H new ATOM 517 N THR A 34 -22.448 9.033 5.983 1.00 1.46 N ATOM 518 CA THR A 34 -23.076 8.408 7.127 1.00 1.91 C ATOM 519 C THR A 34 -22.900 9.276 8.370 1.00 2.50 C ATOM 520 O THR A 34 -21.889 9.958 8.527 1.00 2.78 O ATOM 521 CB THR A 34 -22.457 7.020 7.364 1.00 1.83 C ATOM 522 OG1 THR A 34 -21.029 7.113 7.328 1.00 2.42 O ATOM 523 CG2 THR A 34 -22.925 6.037 6.306 1.00 1.73 C ATOM 0 H THR A 34 -21.513 8.680 5.779 1.00 1.46 H new ATOM 0 HA THR A 34 -24.142 8.298 6.928 1.00 1.91 H new ATOM 0 HB THR A 34 -22.777 6.663 8.343 1.00 1.83 H new ATOM 0 HG1 THR A 34 -20.738 7.889 7.851 1.00 2.42 H new ATOM 0 HG21 THR A 34 -22.476 5.061 6.492 1.00 1.73 H new ATOM 0 HG22 THR A 34 -24.011 5.950 6.345 1.00 1.73 H new ATOM 0 HG23 THR A 34 -22.625 6.393 5.320 1.00 1.73 H new ATOM 531 N GLU A 35 -23.900 9.276 9.233 1.00 3.15 N ATOM 532 CA GLU A 35 -23.840 10.053 10.461 1.00 3.98 C ATOM 533 C GLU A 35 -23.384 9.171 11.608 1.00 4.05 C ATOM 534 O GLU A 35 -22.493 9.530 12.378 1.00 4.33 O ATOM 535 CB GLU A 35 -25.212 10.645 10.774 1.00 4.75 C ATOM 536 CG GLU A 35 -25.743 11.548 9.676 1.00 5.08 C ATOM 537 CD GLU A 35 -27.151 12.021 9.947 1.00 5.84 C ATOM 538 OE1 GLU A 35 -27.316 13.042 10.644 1.00 6.34 O ATOM 539 OE2 GLU A 35 -28.101 11.378 9.457 1.00 6.16 O ATOM 0 H GLU A 35 -24.763 8.748 9.108 1.00 3.15 H new ATOM 0 HA GLU A 35 -23.126 10.866 10.331 1.00 3.98 H new ATOM 0 HB2 GLU A 35 -25.920 9.833 10.941 1.00 4.75 H new ATOM 0 HB3 GLU A 35 -25.152 11.212 11.703 1.00 4.75 H new ATOM 0 HG2 GLU A 35 -25.087 12.412 9.571 1.00 5.08 H new ATOM 0 HG3 GLU A 35 -25.719 11.013 8.727 1.00 5.08 H new ATOM 546 N GLN A 36 -24.014 8.013 11.714 1.00 4.07 N ATOM 547 CA GLN A 36 -23.668 7.029 12.728 1.00 4.38 C ATOM 548 C GLN A 36 -23.653 5.646 12.098 1.00 4.02 C ATOM 549 O GLN A 36 -22.596 5.106 11.774 1.00 4.41 O ATOM 550 CB GLN A 36 -24.677 7.065 13.881 1.00 5.16 C ATOM 551 CG GLN A 36 -24.785 8.416 14.572 1.00 5.59 C ATOM 552 CD GLN A 36 -25.833 8.428 15.666 1.00 6.26 C ATOM 553 OE1 GLN A 36 -26.017 7.291 16.318 1.00 6.59 O flip ATOM 554 NE2 GLN A 36 -26.464 9.452 15.930 1.00 6.79 N flip ATOM 0 H GLN A 36 -24.778 7.728 11.101 1.00 4.07 H new ATOM 0 HA GLN A 36 -22.681 7.263 13.128 1.00 4.38 H new ATOM 0 HB2 GLN A 36 -25.659 6.785 13.499 1.00 5.16 H new ATOM 0 HB3 GLN A 36 -24.396 6.313 14.619 1.00 5.16 H new ATOM 0 HG2 GLN A 36 -23.817 8.681 14.998 1.00 5.59 H new ATOM 0 HG3 GLN A 36 -25.028 9.180 13.833 1.00 5.59 H new ATOM 0 HE21 GLN A 36 -26.291 10.308 15.403 1.00 6.79 H new ATOM 0 HE22 GLN A 36 -27.159 9.444 16.676 1.00 6.79 H new ATOM 563 N GLU A 37 -24.841 5.096 11.909 1.00 3.65 N ATOM 564 CA GLU A 37 -25.011 3.827 11.245 1.00 3.72 C ATOM 565 C GLU A 37 -25.893 4.009 10.016 1.00 3.46 C ATOM 566 O GLU A 37 -26.986 4.573 10.107 1.00 3.48 O ATOM 567 CB GLU A 37 -25.625 2.815 12.206 1.00 4.27 C ATOM 568 CG GLU A 37 -26.833 3.340 12.969 1.00 4.95 C ATOM 569 CD GLU A 37 -27.433 2.303 13.889 1.00 5.60 C ATOM 570 OE1 GLU A 37 -28.262 1.492 13.423 1.00 5.76 O ATOM 571 OE2 GLU A 37 -27.090 2.296 15.087 1.00 6.24 O ATOM 0 H GLU A 37 -25.715 5.524 12.215 1.00 3.65 H new ATOM 0 HA GLU A 37 -24.040 3.450 10.926 1.00 3.72 H new ATOM 0 HB2 GLU A 37 -25.920 1.929 11.644 1.00 4.27 H new ATOM 0 HB3 GLU A 37 -24.865 2.501 12.921 1.00 4.27 H new ATOM 0 HG2 GLU A 37 -26.539 4.212 13.553 1.00 4.95 H new ATOM 0 HG3 GLU A 37 -27.590 3.673 12.259 1.00 4.95 H new ATOM 578 N ALA A 38 -25.401 3.567 8.867 1.00 3.77 N ATOM 579 CA ALA A 38 -26.140 3.678 7.615 1.00 4.17 C ATOM 580 C ALA A 38 -25.435 2.907 6.515 1.00 4.07 C ATOM 581 O ALA A 38 -24.322 2.418 6.707 1.00 4.46 O ATOM 582 CB ALA A 38 -26.308 5.137 7.208 1.00 4.95 C ATOM 0 H ALA A 38 -24.486 3.125 8.775 1.00 3.77 H new ATOM 0 HA ALA A 38 -27.130 3.249 7.768 1.00 4.17 H new ATOM 0 HB1 ALA A 38 -26.862 5.192 6.271 1.00 4.95 H new ATOM 0 HB2 ALA A 38 -26.855 5.671 7.985 1.00 4.95 H new ATOM 0 HB3 ALA A 38 -25.327 5.593 7.076 1.00 4.95 H new ATOM 588 N GLY A 39 -26.089 2.805 5.370 1.00 4.00 N ATOM 589 CA GLY A 39 -25.512 2.098 4.247 1.00 4.22 C ATOM 590 C GLY A 39 -26.543 1.276 3.509 1.00 4.22 C ATOM 591 O GLY A 39 -26.324 0.860 2.373 1.00 4.68 O ATOM 0 H GLY A 39 -27.013 3.201 5.197 1.00 4.00 H new ATOM 0 HA2 GLY A 39 -25.060 2.814 3.561 1.00 4.22 H new ATOM 0 HA3 GLY A 39 -24.713 1.446 4.600 1.00 4.22 H new ATOM 595 N GLY A 40 -27.677 1.055 4.160 1.00 4.14 N ATOM 596 CA GLY A 40 -28.740 0.270 3.569 1.00 4.55 C ATOM 597 C GLY A 40 -29.115 -0.915 4.436 1.00 4.28 C ATOM 598 O GLY A 40 -28.305 -1.385 5.239 1.00 4.37 O ATOM 0 H GLY A 40 -27.880 1.409 5.095 1.00 4.14 H new ATOM 0 HA2 GLY A 40 -29.616 0.901 3.417 1.00 4.55 H new ATOM 0 HA3 GLY A 40 -28.427 -0.083 2.586 1.00 4.55 H new ATOM 602 N ILE A 41 -30.338 -1.395 4.289 1.00 4.35 N ATOM 603 CA ILE A 41 -30.786 -2.558 5.039 1.00 4.40 C ATOM 604 C ILE A 41 -30.339 -3.816 4.306 1.00 4.54 C ATOM 605 O ILE A 41 -30.920 -4.204 3.292 1.00 5.04 O ATOM 606 CB ILE A 41 -32.323 -2.572 5.262 1.00 4.99 C ATOM 607 CG1 ILE A 41 -32.747 -1.491 6.269 1.00 5.27 C ATOM 608 CG2 ILE A 41 -32.789 -3.940 5.751 1.00 5.57 C ATOM 609 CD1 ILE A 41 -32.639 -0.070 5.755 1.00 5.56 C ATOM 0 H ILE A 41 -31.037 -1.000 3.660 1.00 4.35 H new ATOM 0 HA ILE A 41 -30.335 -2.517 6.030 1.00 4.40 H new ATOM 0 HB ILE A 41 -32.794 -2.359 4.302 1.00 4.99 H new ATOM 0 HG12 ILE A 41 -33.778 -1.677 6.569 1.00 5.27 H new ATOM 0 HG13 ILE A 41 -32.133 -1.587 7.164 1.00 5.27 H new ATOM 0 HG21 ILE A 41 -33.869 -3.925 5.900 1.00 5.57 H new ATOM 0 HG22 ILE A 41 -32.536 -4.697 5.009 1.00 5.57 H new ATOM 0 HG23 ILE A 41 -32.296 -4.177 6.694 1.00 5.57 H new ATOM 0 HD11 ILE A 41 -32.959 0.624 6.533 1.00 5.56 H new ATOM 0 HD12 ILE A 41 -31.605 0.141 5.483 1.00 5.56 H new ATOM 0 HD13 ILE A 41 -33.276 0.049 4.878 1.00 5.56 H new ATOM 621 N THR A 42 -29.279 -4.423 4.804 1.00 4.43 N ATOM 622 CA THR A 42 -28.674 -5.561 4.142 1.00 4.86 C ATOM 623 C THR A 42 -28.175 -6.569 5.172 1.00 4.64 C ATOM 624 O THR A 42 -28.358 -6.388 6.377 1.00 4.68 O ATOM 625 CB THR A 42 -27.516 -5.093 3.233 1.00 5.21 C ATOM 626 OG1 THR A 42 -27.016 -6.180 2.442 1.00 5.55 O ATOM 627 CG2 THR A 42 -26.389 -4.488 4.061 1.00 5.93 C ATOM 0 H THR A 42 -28.817 -4.144 5.670 1.00 4.43 H new ATOM 0 HA THR A 42 -29.426 -6.049 3.522 1.00 4.86 H new ATOM 0 HB THR A 42 -27.907 -4.327 2.563 1.00 5.21 H new ATOM 0 HG1 THR A 42 -26.285 -5.861 1.873 1.00 5.55 H new ATOM 0 HG21 THR A 42 -25.585 -4.165 3.400 1.00 5.93 H new ATOM 0 HG22 THR A 42 -26.767 -3.631 4.618 1.00 5.93 H new ATOM 0 HG23 THR A 42 -26.008 -5.235 4.758 1.00 5.93 H new ATOM 635 N GLN A 43 -27.541 -7.628 4.691 1.00 4.73 N ATOM 636 CA GLN A 43 -27.128 -8.733 5.550 1.00 4.79 C ATOM 637 C GLN A 43 -25.638 -8.686 5.860 1.00 4.45 C ATOM 638 O GLN A 43 -25.039 -9.697 6.219 1.00 4.74 O ATOM 639 CB GLN A 43 -27.487 -10.079 4.913 1.00 5.52 C ATOM 640 CG GLN A 43 -28.982 -10.345 4.844 1.00 5.96 C ATOM 641 CD GLN A 43 -29.647 -10.291 6.207 1.00 6.23 C ATOM 642 OE1 GLN A 43 -29.735 -11.297 6.913 1.00 6.39 O ATOM 643 NE2 GLN A 43 -30.123 -9.115 6.586 1.00 6.63 N ATOM 0 H GLN A 43 -27.300 -7.748 3.707 1.00 4.73 H new ATOM 0 HA GLN A 43 -27.669 -8.627 6.490 1.00 4.79 H new ATOM 0 HB2 GLN A 43 -27.074 -10.115 3.905 1.00 5.52 H new ATOM 0 HB3 GLN A 43 -27.011 -10.878 5.481 1.00 5.52 H new ATOM 0 HG2 GLN A 43 -29.448 -9.611 4.187 1.00 5.96 H new ATOM 0 HG3 GLN A 43 -29.153 -11.325 4.399 1.00 5.96 H new ATOM 0 HE21 GLN A 43 -30.030 -8.306 5.972 1.00 6.63 H new ATOM 0 HE22 GLN A 43 -30.582 -9.019 7.492 1.00 6.63 H new ATOM 652 N HIS A 44 -25.037 -7.514 5.721 1.00 4.15 N ATOM 653 CA HIS A 44 -23.645 -7.336 6.097 1.00 4.05 C ATOM 654 C HIS A 44 -23.466 -6.040 6.871 1.00 3.55 C ATOM 655 O HIS A 44 -23.717 -4.954 6.354 1.00 3.72 O ATOM 656 CB HIS A 44 -22.701 -7.379 4.878 1.00 4.61 C ATOM 657 CG HIS A 44 -22.982 -6.358 3.812 1.00 5.23 C ATOM 658 ND1 HIS A 44 -22.493 -5.066 3.850 1.00 5.76 N ATOM 659 CD2 HIS A 44 -23.689 -6.453 2.662 1.00 5.72 C ATOM 660 CE1 HIS A 44 -22.889 -4.416 2.773 1.00 6.54 C ATOM 661 NE2 HIS A 44 -23.616 -5.234 2.038 1.00 6.49 N ATOM 0 H HIS A 44 -25.489 -6.677 5.353 1.00 4.15 H new ATOM 0 HA HIS A 44 -23.373 -8.173 6.740 1.00 4.05 H new ATOM 0 HB2 HIS A 44 -21.677 -7.243 5.227 1.00 4.61 H new ATOM 0 HB3 HIS A 44 -22.757 -8.372 4.431 1.00 4.61 H new ATOM 0 HD2 HIS A 44 -24.213 -7.326 2.303 1.00 5.72 H new ATOM 0 HE1 HIS A 44 -22.657 -3.389 2.534 1.00 6.54 H new ATOM 0 HE2 HIS A 44 -24.054 -4.998 1.148 1.00 6.49 H new ATOM 670 N ILE A 45 -23.070 -6.164 8.124 1.00 3.31 N ATOM 671 CA ILE A 45 -22.795 -5.010 8.954 1.00 3.06 C ATOM 672 C ILE A 45 -21.315 -4.665 8.888 1.00 2.33 C ATOM 673 O ILE A 45 -20.563 -5.293 8.139 1.00 2.50 O ATOM 674 CB ILE A 45 -23.194 -5.264 10.417 1.00 3.87 C ATOM 675 CG1 ILE A 45 -22.457 -6.486 10.972 1.00 4.51 C ATOM 676 CG2 ILE A 45 -24.699 -5.448 10.526 1.00 4.43 C ATOM 677 CD1 ILE A 45 -22.622 -6.662 12.465 1.00 5.17 C ATOM 0 H ILE A 45 -22.931 -7.060 8.591 1.00 3.31 H new ATOM 0 HA ILE A 45 -23.388 -4.177 8.575 1.00 3.06 H new ATOM 0 HB ILE A 45 -22.907 -4.397 11.012 1.00 3.87 H new ATOM 0 HG12 ILE A 45 -22.820 -7.381 10.466 1.00 4.51 H new ATOM 0 HG13 ILE A 45 -21.396 -6.397 10.739 1.00 4.51 H new ATOM 0 HG21 ILE A 45 -24.969 -5.627 11.567 1.00 4.43 H new ATOM 0 HG22 ILE A 45 -25.202 -4.549 10.170 1.00 4.43 H new ATOM 0 HG23 ILE A 45 -25.006 -6.300 9.920 1.00 4.43 H new ATOM 0 HD11 ILE A 45 -22.074 -7.546 12.790 1.00 5.17 H new ATOM 0 HD12 ILE A 45 -22.232 -5.784 12.980 1.00 5.17 H new ATOM 0 HD13 ILE A 45 -23.679 -6.783 12.703 1.00 5.17 H new ATOM 689 N GLY A 46 -20.897 -3.685 9.680 1.00 2.18 N ATOM 690 CA GLY A 46 -19.513 -3.259 9.665 1.00 2.10 C ATOM 691 C GLY A 46 -19.160 -2.492 8.409 1.00 1.86 C ATOM 692 O GLY A 46 -19.130 -1.259 8.410 1.00 2.51 O ATOM 0 H GLY A 46 -21.494 -3.178 10.333 1.00 2.18 H new ATOM 0 HA2 GLY A 46 -19.319 -2.634 10.536 1.00 2.10 H new ATOM 0 HA3 GLY A 46 -18.866 -4.132 9.748 1.00 2.10 H new ATOM 696 N ALA A 47 -18.914 -3.218 7.333 1.00 1.36 N ATOM 697 CA ALA A 47 -18.506 -2.613 6.078 1.00 1.12 C ATOM 698 C ALA A 47 -19.705 -2.098 5.301 1.00 1.01 C ATOM 699 O ALA A 47 -20.820 -2.599 5.469 1.00 1.17 O ATOM 700 CB ALA A 47 -17.727 -3.600 5.254 1.00 1.29 C ATOM 0 H ALA A 47 -18.991 -4.235 7.304 1.00 1.36 H new ATOM 0 HA ALA A 47 -17.865 -1.761 6.305 1.00 1.12 H new ATOM 0 HB1 ALA A 47 -17.427 -3.134 4.315 1.00 1.29 H new ATOM 0 HB2 ALA A 47 -16.839 -3.913 5.804 1.00 1.29 H new ATOM 0 HB3 ALA A 47 -18.349 -4.470 5.044 1.00 1.29 H new ATOM 706 N TYR A 48 -19.477 -1.135 4.410 1.00 0.85 N ATOM 707 CA TYR A 48 -20.577 -0.383 3.837 1.00 0.89 C ATOM 708 C TYR A 48 -20.131 0.403 2.606 1.00 0.81 C ATOM 709 O TYR A 48 -18.970 0.336 2.201 1.00 0.73 O ATOM 710 CB TYR A 48 -21.142 0.559 4.901 1.00 0.97 C ATOM 711 CG TYR A 48 -20.213 1.689 5.276 1.00 0.94 C ATOM 712 CD1 TYR A 48 -18.919 1.455 5.757 1.00 0.92 C ATOM 713 CD2 TYR A 48 -20.636 2.999 5.143 1.00 1.20 C ATOM 714 CE1 TYR A 48 -18.092 2.503 6.083 1.00 1.15 C ATOM 715 CE2 TYR A 48 -19.814 4.049 5.472 1.00 1.40 C ATOM 716 CZ TYR A 48 -18.545 3.799 5.938 1.00 1.37 C ATOM 717 OH TYR A 48 -17.730 4.847 6.254 1.00 1.70 O ATOM 0 H TYR A 48 -18.552 -0.864 4.077 1.00 0.85 H new ATOM 0 HA TYR A 48 -21.351 -1.079 3.513 1.00 0.89 H new ATOM 0 HB2 TYR A 48 -22.080 0.979 4.539 1.00 0.97 H new ATOM 0 HB3 TYR A 48 -21.375 -0.018 5.796 1.00 0.97 H new ATOM 0 HD1 TYR A 48 -18.567 0.440 5.873 1.00 0.92 H new ATOM 0 HD2 TYR A 48 -21.631 3.200 4.774 1.00 1.20 H new ATOM 0 HE1 TYR A 48 -17.094 2.314 6.450 1.00 1.15 H new ATOM 0 HE2 TYR A 48 -20.163 5.066 5.365 1.00 1.40 H new ATOM 0 HH TYR A 48 -17.954 5.617 5.691 1.00 1.70 H new ATOM 727 N GLN A 49 -21.062 1.146 2.017 1.00 0.91 N ATOM 728 CA GLN A 49 -20.790 1.911 0.807 1.00 0.89 C ATOM 729 C GLN A 49 -20.894 3.406 1.089 1.00 0.90 C ATOM 730 O GLN A 49 -21.942 3.892 1.515 1.00 1.02 O ATOM 731 CB GLN A 49 -21.777 1.522 -0.296 1.00 1.02 C ATOM 732 CG GLN A 49 -21.761 0.038 -0.624 1.00 1.09 C ATOM 733 CD GLN A 49 -22.749 -0.342 -1.709 1.00 1.45 C ATOM 734 OE1 GLN A 49 -23.802 0.282 -1.858 1.00 1.87 O ATOM 735 NE2 GLN A 49 -22.413 -1.364 -2.478 1.00 1.91 N ATOM 0 H GLN A 49 -22.018 1.234 2.362 1.00 0.91 H new ATOM 0 HA GLN A 49 -19.777 1.684 0.475 1.00 0.89 H new ATOM 0 HB2 GLN A 49 -22.783 1.808 0.010 1.00 1.02 H new ATOM 0 HB3 GLN A 49 -21.545 2.088 -1.198 1.00 1.02 H new ATOM 0 HG2 GLN A 49 -20.757 -0.248 -0.939 1.00 1.09 H new ATOM 0 HG3 GLN A 49 -21.986 -0.530 0.279 1.00 1.09 H new ATOM 0 HE21 GLN A 49 -21.532 -1.853 -2.320 1.00 1.91 H new ATOM 0 HE22 GLN A 49 -23.035 -1.663 -3.229 1.00 1.91 H new ATOM 744 N VAL A 50 -19.804 4.128 0.858 1.00 0.85 N ATOM 745 CA VAL A 50 -19.764 5.558 1.128 1.00 0.91 C ATOM 746 C VAL A 50 -20.219 6.369 -0.081 1.00 0.96 C ATOM 747 O VAL A 50 -20.102 5.930 -1.227 1.00 1.01 O ATOM 748 CB VAL A 50 -18.351 6.020 1.534 1.00 0.93 C ATOM 749 CG1 VAL A 50 -17.885 5.294 2.783 1.00 1.53 C ATOM 750 CG2 VAL A 50 -17.364 5.822 0.396 1.00 1.34 C ATOM 0 H VAL A 50 -18.936 3.745 0.484 1.00 0.85 H new ATOM 0 HA VAL A 50 -20.450 5.733 1.957 1.00 0.91 H new ATOM 0 HB VAL A 50 -18.398 7.086 1.757 1.00 0.93 H new ATOM 0 HG11 VAL A 50 -16.885 5.636 3.051 1.00 1.53 H new ATOM 0 HG12 VAL A 50 -18.572 5.503 3.603 1.00 1.53 H new ATOM 0 HG13 VAL A 50 -17.863 4.221 2.593 1.00 1.53 H new ATOM 0 HG21 VAL A 50 -16.375 6.156 0.710 1.00 1.34 H new ATOM 0 HG22 VAL A 50 -17.323 4.766 0.130 1.00 1.34 H new ATOM 0 HG23 VAL A 50 -17.685 6.402 -0.469 1.00 1.34 H new ATOM 760 N THR A 51 -20.734 7.559 0.184 1.00 1.09 N ATOM 761 CA THR A 51 -21.183 8.449 -0.869 1.00 1.16 C ATOM 762 C THR A 51 -20.183 9.576 -1.106 1.00 1.19 C ATOM 763 O THR A 51 -20.221 10.614 -0.442 1.00 1.28 O ATOM 764 CB THR A 51 -22.569 9.044 -0.545 1.00 1.29 C ATOM 765 OG1 THR A 51 -23.524 7.985 -0.436 1.00 1.51 O ATOM 766 CG2 THR A 51 -23.017 10.017 -1.625 1.00 1.42 C ATOM 0 H THR A 51 -20.851 7.931 1.127 1.00 1.09 H new ATOM 0 HA THR A 51 -21.261 7.854 -1.779 1.00 1.16 H new ATOM 0 HB THR A 51 -22.498 9.587 0.397 1.00 1.29 H new ATOM 0 HG1 THR A 51 -24.406 8.360 -0.228 1.00 1.51 H new ATOM 0 HG21 THR A 51 -23.997 10.419 -1.368 1.00 1.42 H new ATOM 0 HG22 THR A 51 -22.298 10.833 -1.701 1.00 1.42 H new ATOM 0 HG23 THR A 51 -23.077 9.497 -2.581 1.00 1.42 H new ATOM 774 N VAL A 52 -19.262 9.342 -2.025 1.00 1.36 N ATOM 775 CA VAL A 52 -18.425 10.406 -2.543 1.00 1.62 C ATOM 776 C VAL A 52 -19.149 11.047 -3.710 1.00 1.81 C ATOM 777 O VAL A 52 -19.125 12.259 -3.911 1.00 2.11 O ATOM 778 CB VAL A 52 -17.051 9.878 -3.015 1.00 1.88 C ATOM 779 CG1 VAL A 52 -16.274 9.302 -1.845 1.00 1.98 C ATOM 780 CG2 VAL A 52 -17.205 8.836 -4.123 1.00 2.27 C ATOM 0 H VAL A 52 -19.076 8.423 -2.427 1.00 1.36 H new ATOM 0 HA VAL A 52 -18.241 11.129 -1.748 1.00 1.62 H new ATOM 0 HB VAL A 52 -16.492 10.719 -3.426 1.00 1.88 H new ATOM 0 HG11 VAL A 52 -15.309 8.935 -2.195 1.00 1.98 H new ATOM 0 HG12 VAL A 52 -16.117 10.078 -1.095 1.00 1.98 H new ATOM 0 HG13 VAL A 52 -16.837 8.480 -1.404 1.00 1.98 H new ATOM 0 HG21 VAL A 52 -16.220 8.485 -4.432 1.00 2.27 H new ATOM 0 HG22 VAL A 52 -17.790 7.994 -3.752 1.00 2.27 H new ATOM 0 HG23 VAL A 52 -17.715 9.284 -4.976 1.00 2.27 H new ATOM 790 N ASN A 53 -19.823 10.190 -4.449 1.00 1.81 N ATOM 791 CA ASN A 53 -20.604 10.563 -5.588 1.00 1.99 C ATOM 792 C ASN A 53 -22.054 10.162 -5.345 1.00 1.80 C ATOM 793 O ASN A 53 -22.944 11.008 -5.259 1.00 1.82 O ATOM 794 CB ASN A 53 -20.031 9.890 -6.844 1.00 2.39 C ATOM 795 CG ASN A 53 -19.534 8.471 -6.638 1.00 3.10 C ATOM 796 OD1 ASN A 53 -19.971 7.747 -5.737 1.00 3.68 O ATOM 797 ND2 ASN A 53 -18.621 8.053 -7.493 1.00 3.42 N ATOM 0 H ASN A 53 -19.836 9.188 -4.260 1.00 1.81 H new ATOM 0 HA ASN A 53 -20.568 11.641 -5.743 1.00 1.99 H new ATOM 0 HB2 ASN A 53 -20.800 9.882 -7.617 1.00 2.39 H new ATOM 0 HB3 ASN A 53 -19.207 10.497 -7.220 1.00 2.39 H new ATOM 0 HD21 ASN A 53 -18.253 7.104 -7.423 1.00 3.42 H new ATOM 0 HD22 ASN A 53 -18.283 8.678 -8.225 1.00 3.42 H new ATOM 804 N ASP A 54 -22.259 8.864 -5.227 1.00 1.81 N ATOM 805 CA ASP A 54 -23.507 8.295 -4.737 1.00 1.82 C ATOM 806 C ASP A 54 -23.327 6.808 -4.468 1.00 2.08 C ATOM 807 O ASP A 54 -23.653 5.967 -5.304 1.00 2.23 O ATOM 808 CB ASP A 54 -24.661 8.521 -5.700 1.00 2.01 C ATOM 809 CG ASP A 54 -25.983 7.998 -5.155 1.00 2.47 C ATOM 810 OD1 ASP A 54 -26.231 8.141 -3.939 1.00 2.99 O ATOM 811 OD2 ASP A 54 -26.774 7.421 -5.939 1.00 2.69 O ATOM 0 H ASP A 54 -21.558 8.164 -5.471 1.00 1.81 H new ATOM 0 HA ASP A 54 -23.760 8.807 -3.809 1.00 1.82 H new ATOM 0 HB2 ASP A 54 -24.753 9.587 -5.908 1.00 2.01 H new ATOM 0 HB3 ASP A 54 -24.442 8.029 -6.648 1.00 2.01 H new ATOM 816 N LYS A 55 -22.765 6.506 -3.301 1.00 2.27 N ATOM 817 CA LYS A 55 -22.610 5.131 -2.827 1.00 2.75 C ATOM 818 C LYS A 55 -21.758 4.271 -3.761 1.00 1.92 C ATOM 819 O LYS A 55 -21.975 3.063 -3.864 1.00 2.45 O ATOM 820 CB LYS A 55 -23.987 4.503 -2.634 1.00 4.02 C ATOM 821 CG LYS A 55 -24.872 5.319 -1.713 1.00 5.04 C ATOM 822 CD LYS A 55 -26.313 4.865 -1.774 1.00 5.92 C ATOM 823 CE LYS A 55 -27.208 5.793 -0.972 1.00 6.66 C ATOM 824 NZ LYS A 55 -27.147 7.196 -1.465 1.00 7.36 N ATOM 0 H LYS A 55 -22.403 7.208 -2.655 1.00 2.27 H new ATOM 0 HA LYS A 55 -22.079 5.171 -1.876 1.00 2.75 H new ATOM 0 HB2 LYS A 55 -24.475 4.399 -3.603 1.00 4.02 H new ATOM 0 HB3 LYS A 55 -23.871 3.499 -2.226 1.00 4.02 H new ATOM 0 HG2 LYS A 55 -24.507 5.235 -0.689 1.00 5.04 H new ATOM 0 HG3 LYS A 55 -24.810 6.372 -1.988 1.00 5.04 H new ATOM 0 HD2 LYS A 55 -26.646 4.838 -2.811 1.00 5.92 H new ATOM 0 HD3 LYS A 55 -26.395 3.849 -1.387 1.00 5.92 H new ATOM 0 HE2 LYS A 55 -28.237 5.436 -1.022 1.00 6.66 H new ATOM 0 HE3 LYS A 55 -26.912 5.765 0.077 1.00 6.66 H new ATOM 0 HZ1 LYS A 55 -28.102 7.607 -1.462 1.00 7.36 H new ATOM 0 HZ2 LYS A 55 -26.527 7.755 -0.845 1.00 7.36 H new ATOM 0 HZ3 LYS A 55 -26.769 7.207 -2.434 1.00 7.36 H new ATOM 838 N LYS A 56 -20.785 4.880 -4.433 1.00 1.27 N ATOM 839 CA LYS A 56 -19.854 4.105 -5.241 1.00 1.10 C ATOM 840 C LYS A 56 -18.481 4.055 -4.591 1.00 1.03 C ATOM 841 O LYS A 56 -17.568 4.730 -5.045 1.00 1.91 O ATOM 842 CB LYS A 56 -19.714 4.683 -6.651 1.00 1.91 C ATOM 843 CG LYS A 56 -20.778 4.221 -7.630 1.00 2.63 C ATOM 844 CD LYS A 56 -20.418 4.635 -9.051 1.00 3.33 C ATOM 845 CE LYS A 56 -21.354 4.015 -10.072 1.00 3.92 C ATOM 846 NZ LYS A 56 -22.746 4.498 -9.913 1.00 4.46 N ATOM 0 H LYS A 56 -20.624 5.887 -4.434 1.00 1.27 H new ATOM 0 HA LYS A 56 -20.263 3.097 -5.311 1.00 1.10 H new ATOM 0 HB2 LYS A 56 -19.744 5.771 -6.589 1.00 1.91 H new ATOM 0 HB3 LYS A 56 -18.734 4.413 -7.045 1.00 1.91 H new ATOM 0 HG2 LYS A 56 -20.882 3.137 -7.577 1.00 2.63 H new ATOM 0 HG3 LYS A 56 -21.742 4.648 -7.355 1.00 2.63 H new ATOM 0 HD2 LYS A 56 -20.457 5.721 -9.134 1.00 3.33 H new ATOM 0 HD3 LYS A 56 -19.393 4.335 -9.268 1.00 3.33 H new ATOM 0 HE2 LYS A 56 -21.001 4.249 -11.076 1.00 3.92 H new ATOM 0 HE3 LYS A 56 -21.333 2.930 -9.972 1.00 3.92 H new ATOM 0 HZ1 LYS A 56 -23.391 3.878 -10.444 1.00 4.46 H new ATOM 0 HZ2 LYS A 56 -23.005 4.486 -8.906 1.00 4.46 H new ATOM 0 HZ3 LYS A 56 -22.820 5.469 -10.278 1.00 4.46 H new ATOM 860 N ILE A 57 -18.383 3.224 -3.551 1.00 0.92 N ATOM 861 CA ILE A 57 -17.139 2.817 -2.866 1.00 0.72 C ATOM 862 C ILE A 57 -17.546 1.920 -1.712 1.00 0.69 C ATOM 863 O ILE A 57 -18.099 2.390 -0.716 1.00 0.80 O ATOM 864 CB ILE A 57 -16.258 3.958 -2.259 1.00 0.65 C ATOM 865 CG1 ILE A 57 -15.538 4.801 -3.313 1.00 0.73 C ATOM 866 CG2 ILE A 57 -15.215 3.342 -1.338 1.00 0.71 C ATOM 867 CD1 ILE A 57 -14.805 5.994 -2.738 1.00 0.75 C ATOM 0 H ILE A 57 -19.208 2.790 -3.137 1.00 0.92 H new ATOM 0 HA ILE A 57 -16.524 2.352 -3.636 1.00 0.72 H new ATOM 0 HB ILE A 57 -16.934 4.623 -1.721 1.00 0.65 H new ATOM 0 HG12 ILE A 57 -14.827 4.171 -3.846 1.00 0.73 H new ATOM 0 HG13 ILE A 57 -16.266 5.151 -4.045 1.00 0.73 H new ATOM 0 HG21 ILE A 57 -14.596 4.131 -0.910 1.00 0.71 H new ATOM 0 HG22 ILE A 57 -15.714 2.797 -0.536 1.00 0.71 H new ATOM 0 HG23 ILE A 57 -14.587 2.656 -1.907 1.00 0.71 H new ATOM 0 HD11 ILE A 57 -14.318 6.545 -3.543 1.00 0.75 H new ATOM 0 HD12 ILE A 57 -15.515 6.646 -2.229 1.00 0.75 H new ATOM 0 HD13 ILE A 57 -14.053 5.651 -2.027 1.00 0.75 H new ATOM 879 N THR A 58 -17.310 0.631 -1.843 1.00 0.71 N ATOM 880 CA THR A 58 -17.674 -0.291 -0.791 1.00 0.71 C ATOM 881 C THR A 58 -16.447 -0.704 0.006 1.00 0.71 C ATOM 882 O THR A 58 -15.714 -1.606 -0.400 1.00 0.82 O ATOM 883 CB THR A 58 -18.358 -1.546 -1.358 1.00 0.85 C ATOM 884 OG1 THR A 58 -19.377 -1.157 -2.289 1.00 0.96 O ATOM 885 CG2 THR A 58 -18.975 -2.378 -0.238 1.00 0.86 C ATOM 0 H THR A 58 -16.872 0.203 -2.659 1.00 0.71 H new ATOM 0 HA THR A 58 -18.377 0.224 -0.136 1.00 0.71 H new ATOM 0 HB THR A 58 -17.608 -2.153 -1.866 1.00 0.85 H new ATOM 0 HG1 THR A 58 -19.588 -1.912 -2.877 1.00 0.96 H new ATOM 0 HG21 THR A 58 -19.453 -3.261 -0.662 1.00 0.86 H new ATOM 0 HG22 THR A 58 -18.195 -2.687 0.458 1.00 0.86 H new ATOM 0 HG23 THR A 58 -19.718 -1.782 0.291 1.00 0.86 H new ATOM 893 N PHE A 59 -16.217 -0.030 1.123 1.00 0.67 N ATOM 894 CA PHE A 59 -15.139 -0.415 2.020 1.00 0.77 C ATOM 895 C PHE A 59 -15.544 -1.673 2.764 1.00 0.96 C ATOM 896 O PHE A 59 -16.419 -1.627 3.622 1.00 1.57 O ATOM 897 CB PHE A 59 -14.828 0.697 3.020 1.00 0.80 C ATOM 898 CG PHE A 59 -14.315 1.958 2.396 1.00 0.72 C ATOM 899 CD1 PHE A 59 -13.041 2.015 1.854 1.00 1.07 C ATOM 900 CD2 PHE A 59 -15.102 3.090 2.366 1.00 1.04 C ATOM 901 CE1 PHE A 59 -12.563 3.182 1.290 1.00 1.10 C ATOM 902 CE2 PHE A 59 -14.631 4.263 1.807 1.00 1.06 C ATOM 903 CZ PHE A 59 -13.361 4.311 1.266 1.00 0.80 C ATOM 0 H PHE A 59 -16.758 0.779 1.428 1.00 0.67 H new ATOM 0 HA PHE A 59 -14.241 -0.597 1.430 1.00 0.77 H new ATOM 0 HB2 PHE A 59 -15.732 0.926 3.584 1.00 0.80 H new ATOM 0 HB3 PHE A 59 -14.090 0.332 3.734 1.00 0.80 H new ATOM 0 HD1 PHE A 59 -12.414 1.136 1.873 1.00 1.07 H new ATOM 0 HD2 PHE A 59 -16.097 3.060 2.784 1.00 1.04 H new ATOM 0 HE1 PHE A 59 -11.569 3.212 0.869 1.00 1.10 H new ATOM 0 HE2 PHE A 59 -15.257 5.143 1.793 1.00 1.06 H new ATOM 0 HZ PHE A 59 -12.993 5.226 0.826 1.00 0.80 H new ATOM 913 N LEU A 60 -14.921 -2.786 2.419 1.00 1.19 N ATOM 914 CA LEU A 60 -15.312 -4.086 2.947 1.00 1.38 C ATOM 915 C LEU A 60 -14.136 -4.760 3.648 1.00 1.95 C ATOM 916 O LEU A 60 -12.999 -4.635 3.208 1.00 2.65 O ATOM 917 CB LEU A 60 -15.825 -4.967 1.803 1.00 1.84 C ATOM 918 CG LEU A 60 -16.290 -6.373 2.189 1.00 2.35 C ATOM 919 CD1 LEU A 60 -17.505 -6.312 3.098 1.00 2.89 C ATOM 920 CD2 LEU A 60 -16.597 -7.179 0.939 1.00 3.21 C ATOM 0 H LEU A 60 -14.135 -2.817 1.770 1.00 1.19 H new ATOM 0 HA LEU A 60 -16.107 -3.946 3.680 1.00 1.38 H new ATOM 0 HB2 LEU A 60 -16.655 -4.452 1.320 1.00 1.84 H new ATOM 0 HB3 LEU A 60 -15.033 -5.060 1.060 1.00 1.84 H new ATOM 0 HG LEU A 60 -15.487 -6.865 2.737 1.00 2.35 H new ATOM 0 HD11 LEU A 60 -17.816 -7.324 3.358 1.00 2.89 H new ATOM 0 HD12 LEU A 60 -17.253 -5.765 4.006 1.00 2.89 H new ATOM 0 HD13 LEU A 60 -18.320 -5.803 2.583 1.00 2.89 H new ATOM 0 HD21 LEU A 60 -16.927 -8.178 1.222 1.00 3.21 H new ATOM 0 HD22 LEU A 60 -17.385 -6.684 0.371 1.00 3.21 H new ATOM 0 HD23 LEU A 60 -15.700 -7.254 0.325 1.00 3.21 H new ATOM 932 N ASP A 61 -14.413 -5.463 4.737 1.00 2.43 N ATOM 933 CA ASP A 61 -13.380 -6.192 5.463 1.00 3.40 C ATOM 934 C ASP A 61 -13.897 -7.541 5.942 1.00 3.45 C ATOM 935 O ASP A 61 -14.812 -7.604 6.763 1.00 3.73 O ATOM 936 CB ASP A 61 -12.867 -5.383 6.657 1.00 4.36 C ATOM 937 CG ASP A 61 -12.017 -6.214 7.608 1.00 5.14 C ATOM 938 OD1 ASP A 61 -11.110 -6.930 7.131 1.00 5.55 O ATOM 939 OD2 ASP A 61 -12.242 -6.155 8.836 1.00 5.61 O ATOM 0 H ASP A 61 -15.347 -5.545 5.139 1.00 2.43 H new ATOM 0 HA ASP A 61 -12.554 -6.357 4.772 1.00 3.40 H new ATOM 0 HB2 ASP A 61 -12.280 -4.540 6.294 1.00 4.36 H new ATOM 0 HB3 ASP A 61 -13.716 -4.969 7.202 1.00 4.36 H new ATOM 944 N THR A 62 -13.316 -8.602 5.394 1.00 3.65 N ATOM 945 CA THR A 62 -13.602 -9.971 5.817 1.00 4.03 C ATOM 946 C THR A 62 -15.096 -10.311 5.709 1.00 4.27 C ATOM 947 O THR A 62 -15.778 -10.504 6.716 1.00 4.71 O ATOM 948 CB THR A 62 -13.109 -10.197 7.262 1.00 4.83 C ATOM 949 OG1 THR A 62 -11.793 -9.640 7.411 1.00 5.19 O ATOM 950 CG2 THR A 62 -13.068 -11.681 7.604 1.00 5.45 C ATOM 0 H THR A 62 -12.631 -8.539 4.641 1.00 3.65 H new ATOM 0 HA THR A 62 -13.066 -10.638 5.142 1.00 4.03 H new ATOM 0 HB THR A 62 -13.805 -9.705 7.941 1.00 4.83 H new ATOM 0 HG1 THR A 62 -11.828 -8.672 7.260 1.00 5.19 H new ATOM 0 HG21 THR A 62 -12.717 -11.809 8.628 1.00 5.45 H new ATOM 0 HG22 THR A 62 -14.068 -12.104 7.508 1.00 5.45 H new ATOM 0 HG23 THR A 62 -12.390 -12.193 6.921 1.00 5.45 H new ATOM 958 N PRO A 63 -15.626 -10.394 4.476 1.00 4.49 N ATOM 959 CA PRO A 63 -17.032 -10.735 4.242 1.00 5.20 C ATOM 960 C PRO A 63 -17.310 -12.234 4.387 1.00 5.56 C ATOM 961 O PRO A 63 -17.681 -12.906 3.424 1.00 6.11 O ATOM 962 CB PRO A 63 -17.256 -10.299 2.799 1.00 5.69 C ATOM 963 CG PRO A 63 -15.925 -10.459 2.153 1.00 5.34 C ATOM 964 CD PRO A 63 -14.905 -10.143 3.211 1.00 4.58 C ATOM 0 HA PRO A 63 -17.691 -10.255 4.965 1.00 5.20 H new ATOM 0 HB2 PRO A 63 -18.011 -10.915 2.311 1.00 5.69 H new ATOM 0 HB3 PRO A 63 -17.602 -9.267 2.745 1.00 5.69 H new ATOM 0 HG2 PRO A 63 -15.794 -11.474 1.777 1.00 5.34 H new ATOM 0 HG3 PRO A 63 -15.823 -9.787 1.301 1.00 5.34 H new ATOM 0 HD2 PRO A 63 -14.023 -10.777 3.120 1.00 4.58 H new ATOM 0 HD3 PRO A 63 -14.563 -9.110 3.143 1.00 4.58 H new ATOM 972 N GLY A 64 -17.115 -12.751 5.589 1.00 5.49 N ATOM 973 CA GLY A 64 -17.412 -14.145 5.848 1.00 6.04 C ATOM 974 C GLY A 64 -16.167 -15.003 5.925 1.00 5.99 C ATOM 975 O GLY A 64 -15.619 -15.207 7.008 1.00 6.36 O ATOM 0 H GLY A 64 -16.757 -12.232 6.390 1.00 5.49 H new ATOM 0 HA2 GLY A 64 -17.963 -14.227 6.785 1.00 6.04 H new ATOM 0 HA3 GLY A 64 -18.063 -14.526 5.061 1.00 6.04 H new ATOM 979 N HIS A 65 -15.706 -15.493 4.780 1.00 5.85 N ATOM 980 CA HIS A 65 -14.577 -16.419 4.750 1.00 6.04 C ATOM 981 C HIS A 65 -13.274 -15.688 4.458 1.00 5.42 C ATOM 982 O HIS A 65 -12.430 -15.517 5.339 1.00 5.51 O ATOM 983 CB HIS A 65 -14.786 -17.510 3.693 1.00 6.53 C ATOM 984 CG HIS A 65 -15.975 -18.388 3.932 1.00 7.30 C ATOM 985 ND1 HIS A 65 -16.767 -18.869 2.913 1.00 8.05 N ATOM 986 CD2 HIS A 65 -16.495 -18.891 5.077 1.00 7.71 C ATOM 987 CE1 HIS A 65 -17.718 -19.627 3.418 1.00 8.78 C ATOM 988 NE2 HIS A 65 -17.580 -19.660 4.729 1.00 8.61 N ATOM 0 H HIS A 65 -16.093 -15.267 3.864 1.00 5.85 H new ATOM 0 HA HIS A 65 -14.516 -16.880 5.736 1.00 6.04 H new ATOM 0 HB2 HIS A 65 -14.890 -17.037 2.717 1.00 6.53 H new ATOM 0 HB3 HIS A 65 -13.893 -18.133 3.651 1.00 6.53 H new ATOM 0 HD2 HIS A 65 -16.126 -18.720 6.077 1.00 7.71 H new ATOM 0 HE1 HIS A 65 -18.484 -20.137 2.852 1.00 8.78 H new ATOM 0 HE2 HIS A 65 -18.179 -20.171 5.377 1.00 8.61 H new ATOM 997 N GLU A 66 -13.118 -15.259 3.216 1.00 5.13 N ATOM 998 CA GLU A 66 -11.900 -14.598 2.781 1.00 4.83 C ATOM 999 C GLU A 66 -12.013 -13.098 2.992 1.00 4.30 C ATOM 1000 O GLU A 66 -12.978 -12.467 2.570 1.00 4.72 O ATOM 1001 CB GLU A 66 -11.624 -14.910 1.310 1.00 5.31 C ATOM 1002 CG GLU A 66 -11.217 -16.353 1.064 1.00 5.97 C ATOM 1003 CD GLU A 66 -9.903 -16.698 1.737 1.00 6.59 C ATOM 1004 OE1 GLU A 66 -9.917 -17.114 2.917 1.00 6.87 O ATOM 1005 OE2 GLU A 66 -8.847 -16.548 1.090 1.00 7.05 O ATOM 0 H GLU A 66 -13.825 -15.358 2.488 1.00 5.13 H new ATOM 0 HA GLU A 66 -11.067 -14.971 3.377 1.00 4.83 H new ATOM 0 HB2 GLU A 66 -12.517 -14.688 0.726 1.00 5.31 H new ATOM 0 HB3 GLU A 66 -10.834 -14.251 0.949 1.00 5.31 H new ATOM 0 HG2 GLU A 66 -11.998 -17.017 1.433 1.00 5.97 H new ATOM 0 HG3 GLU A 66 -11.131 -16.527 -0.009 1.00 5.97 H new ATOM 1012 N ALA A 67 -11.000 -12.552 3.663 1.00 3.82 N ATOM 1013 CA ALA A 67 -10.966 -11.143 4.039 1.00 3.70 C ATOM 1014 C ALA A 67 -11.068 -10.228 2.825 1.00 2.58 C ATOM 1015 O ALA A 67 -11.786 -9.232 2.856 1.00 2.95 O ATOM 1016 CB ALA A 67 -9.695 -10.844 4.817 1.00 4.55 C ATOM 0 H ALA A 67 -10.178 -13.077 3.961 1.00 3.82 H new ATOM 0 HA ALA A 67 -11.833 -10.947 4.670 1.00 3.70 H new ATOM 0 HB1 ALA A 67 -9.677 -9.790 5.094 1.00 4.55 H new ATOM 0 HB2 ALA A 67 -9.667 -11.456 5.718 1.00 4.55 H new ATOM 0 HB3 ALA A 67 -8.827 -11.071 4.198 1.00 4.55 H new ATOM 1022 N PHE A 68 -10.344 -10.568 1.768 1.00 1.79 N ATOM 1023 CA PHE A 68 -10.393 -9.816 0.537 1.00 1.15 C ATOM 1024 C PHE A 68 -11.033 -10.662 -0.559 1.00 1.77 C ATOM 1025 O PHE A 68 -10.623 -11.806 -0.790 1.00 2.37 O ATOM 1026 CB PHE A 68 -8.977 -9.383 0.159 1.00 1.18 C ATOM 1027 CG PHE A 68 -8.779 -9.088 -1.289 1.00 1.12 C ATOM 1028 CD1 PHE A 68 -9.145 -7.859 -1.785 1.00 1.67 C ATOM 1029 CD2 PHE A 68 -8.248 -10.032 -2.148 1.00 1.08 C ATOM 1030 CE1 PHE A 68 -8.985 -7.563 -3.122 1.00 2.10 C ATOM 1031 CE2 PHE A 68 -8.080 -9.747 -3.487 1.00 1.52 C ATOM 1032 CZ PHE A 68 -8.373 -8.577 -3.979 1.00 2.00 C ATOM 0 H PHE A 68 -9.712 -11.369 1.746 1.00 1.79 H new ATOM 0 HA PHE A 68 -11.003 -8.922 0.665 1.00 1.15 H new ATOM 0 HB2 PHE A 68 -8.718 -8.495 0.735 1.00 1.18 H new ATOM 0 HB3 PHE A 68 -8.281 -10.168 0.454 1.00 1.18 H new ATOM 0 HD1 PHE A 68 -9.562 -7.117 -1.120 1.00 1.67 H new ATOM 0 HD2 PHE A 68 -7.962 -11.001 -1.767 1.00 1.08 H new ATOM 0 HE1 PHE A 68 -9.302 -6.612 -3.524 1.00 2.10 H new ATOM 0 HE2 PHE A 68 -7.696 -10.513 -4.144 1.00 1.52 H new ATOM 0 HZ PHE A 68 -8.165 -8.357 -5.016 1.00 2.00 H new ATOM 1042 N THR A 69 -12.043 -10.107 -1.211 1.00 2.35 N ATOM 1043 CA THR A 69 -12.787 -10.818 -2.237 1.00 3.31 C ATOM 1044 C THR A 69 -12.124 -10.645 -3.607 1.00 3.54 C ATOM 1045 O THR A 69 -11.386 -9.686 -3.824 1.00 3.89 O ATOM 1046 CB THR A 69 -14.245 -10.307 -2.280 1.00 4.11 C ATOM 1047 OG1 THR A 69 -14.786 -10.287 -0.951 1.00 4.46 O ATOM 1048 CG2 THR A 69 -15.121 -11.188 -3.164 1.00 4.90 C ATOM 0 H THR A 69 -12.368 -9.155 -1.044 1.00 2.35 H new ATOM 0 HA THR A 69 -12.789 -11.880 -1.991 1.00 3.31 H new ATOM 0 HB THR A 69 -14.236 -9.301 -2.701 1.00 4.11 H new ATOM 0 HG1 THR A 69 -15.710 -9.961 -0.979 1.00 4.46 H new ATOM 0 HG21 THR A 69 -16.139 -10.799 -3.171 1.00 4.90 H new ATOM 0 HG22 THR A 69 -14.727 -11.190 -4.180 1.00 4.90 H new ATOM 0 HG23 THR A 69 -15.124 -12.206 -2.774 1.00 4.90 H new ATOM 1056 N THR A 70 -12.383 -11.593 -4.512 1.00 3.82 N ATOM 1057 CA THR A 70 -11.861 -11.552 -5.873 1.00 4.35 C ATOM 1058 C THR A 70 -10.384 -11.958 -5.923 1.00 4.41 C ATOM 1059 O THR A 70 -9.490 -11.118 -6.000 1.00 4.95 O ATOM 1060 CB THR A 70 -12.053 -10.163 -6.528 1.00 5.16 C ATOM 1061 OG1 THR A 70 -13.441 -9.796 -6.521 1.00 5.40 O ATOM 1062 CG2 THR A 70 -11.550 -10.157 -7.965 1.00 5.84 C ATOM 0 H THR A 70 -12.962 -12.410 -4.317 1.00 3.82 H new ATOM 0 HA THR A 70 -12.439 -12.277 -6.446 1.00 4.35 H new ATOM 0 HB THR A 70 -11.476 -9.444 -5.947 1.00 5.16 H new ATOM 0 HG1 THR A 70 -13.700 -9.512 -5.619 1.00 5.40 H new ATOM 0 HG21 THR A 70 -11.698 -9.168 -8.398 1.00 5.84 H new ATOM 0 HG22 THR A 70 -10.489 -10.404 -7.980 1.00 5.84 H new ATOM 0 HG23 THR A 70 -12.103 -10.895 -8.547 1.00 5.84 H new ATOM 1070 N MET A 71 -10.140 -13.258 -5.855 1.00 4.19 N ATOM 1071 CA MET A 71 -8.805 -13.792 -6.082 1.00 4.50 C ATOM 1072 C MET A 71 -8.820 -14.698 -7.302 1.00 4.86 C ATOM 1073 O MET A 71 -8.185 -14.414 -8.311 1.00 5.21 O ATOM 1074 CB MET A 71 -8.299 -14.565 -4.860 1.00 4.42 C ATOM 1075 CG MET A 71 -6.986 -15.293 -5.112 1.00 4.38 C ATOM 1076 SD MET A 71 -6.385 -16.189 -3.670 1.00 4.69 S ATOM 1077 CE MET A 71 -6.003 -14.830 -2.566 1.00 4.34 C ATOM 0 H MET A 71 -10.848 -13.962 -5.645 1.00 4.19 H new ATOM 0 HA MET A 71 -8.126 -12.957 -6.254 1.00 4.50 H new ATOM 0 HB2 MET A 71 -8.169 -13.872 -4.028 1.00 4.42 H new ATOM 0 HB3 MET A 71 -9.056 -15.289 -4.557 1.00 4.42 H new ATOM 0 HG2 MET A 71 -7.118 -15.992 -5.937 1.00 4.38 H new ATOM 0 HG3 MET A 71 -6.231 -14.571 -5.424 1.00 4.38 H new ATOM 0 HE1 MET A 71 -5.396 -15.194 -1.737 1.00 4.34 H new ATOM 0 HE2 MET A 71 -5.452 -14.063 -3.110 1.00 4.34 H new ATOM 0 HE3 MET A 71 -6.929 -14.405 -2.178 1.00 4.34 H new ATOM 1087 N ARG A 72 -9.573 -15.784 -7.206 1.00 5.04 N ATOM 1088 CA ARG A 72 -9.716 -16.715 -8.312 1.00 5.54 C ATOM 1089 C ARG A 72 -11.121 -16.610 -8.895 1.00 5.80 C ATOM 1090 O ARG A 72 -11.486 -17.336 -9.817 1.00 6.36 O ATOM 1091 CB ARG A 72 -9.429 -18.147 -7.850 1.00 5.95 C ATOM 1092 CG ARG A 72 -8.045 -18.324 -7.250 1.00 6.36 C ATOM 1093 CD ARG A 72 -7.753 -19.785 -6.948 1.00 6.73 C ATOM 1094 NE ARG A 72 -7.689 -20.598 -8.160 1.00 7.09 N ATOM 1095 CZ ARG A 72 -6.769 -21.537 -8.383 1.00 7.63 C ATOM 1096 NH1 ARG A 72 -5.830 -21.788 -7.476 1.00 7.86 N ATOM 1097 NH2 ARG A 72 -6.785 -22.222 -9.518 1.00 8.21 N ATOM 0 H ARG A 72 -10.096 -16.041 -6.369 1.00 5.04 H new ATOM 0 HA ARG A 72 -8.993 -16.459 -9.086 1.00 5.54 H new ATOM 0 HB2 ARG A 72 -10.176 -18.439 -7.112 1.00 5.95 H new ATOM 0 HB3 ARG A 72 -9.538 -18.823 -8.698 1.00 5.95 H new ATOM 0 HG2 ARG A 72 -7.296 -17.937 -7.940 1.00 6.36 H new ATOM 0 HG3 ARG A 72 -7.967 -17.739 -6.334 1.00 6.36 H new ATOM 0 HD2 ARG A 72 -6.807 -19.861 -6.411 1.00 6.73 H new ATOM 0 HD3 ARG A 72 -8.526 -20.179 -6.289 1.00 6.73 H new ATOM 0 HE ARG A 72 -8.392 -20.437 -8.881 1.00 7.09 H new ATOM 0 HH11 ARG A 72 -5.810 -21.261 -6.603 1.00 7.86 H new ATOM 0 HH12 ARG A 72 -5.129 -22.508 -7.653 1.00 7.86 H new ATOM 0 HH21 ARG A 72 -7.500 -22.030 -10.219 1.00 8.21 H new ATOM 0 HH22 ARG A 72 -6.082 -22.941 -9.690 1.00 8.21 H new ATOM 1111 N ALA A 73 -11.902 -15.696 -8.335 1.00 5.58 N ATOM 1112 CA ALA A 73 -13.258 -15.448 -8.801 1.00 6.01 C ATOM 1113 C ALA A 73 -13.247 -14.535 -10.022 1.00 5.86 C ATOM 1114 O ALA A 73 -14.264 -14.354 -10.685 1.00 6.36 O ATOM 1115 CB ALA A 73 -14.100 -14.840 -7.690 1.00 6.36 C ATOM 0 H ALA A 73 -11.616 -15.110 -7.551 1.00 5.58 H new ATOM 0 HA ALA A 73 -13.702 -16.401 -9.089 1.00 6.01 H new ATOM 0 HB1 ALA A 73 -15.111 -14.661 -8.056 1.00 6.36 H new ATOM 0 HB2 ALA A 73 -14.137 -15.526 -6.844 1.00 6.36 H new ATOM 0 HB3 ALA A 73 -13.657 -13.896 -7.373 1.00 6.36 H new ATOM 1121 N ARG A 74 -12.087 -13.965 -10.311 1.00 5.40 N ATOM 1122 CA ARG A 74 -11.927 -13.119 -11.480 1.00 5.50 C ATOM 1123 C ARG A 74 -10.800 -13.655 -12.351 1.00 5.18 C ATOM 1124 O ARG A 74 -9.678 -13.851 -11.879 1.00 5.49 O ATOM 1125 CB ARG A 74 -11.639 -11.674 -11.076 1.00 6.12 C ATOM 1126 CG ARG A 74 -11.681 -10.696 -12.240 1.00 6.76 C ATOM 1127 CD ARG A 74 -13.081 -10.585 -12.827 1.00 7.55 C ATOM 1128 NE ARG A 74 -14.021 -9.969 -11.892 1.00 8.14 N ATOM 1129 CZ ARG A 74 -15.219 -10.474 -11.597 1.00 8.93 C ATOM 1130 NH1 ARG A 74 -15.619 -11.612 -12.151 1.00 9.21 N ATOM 1131 NH2 ARG A 74 -16.017 -9.841 -10.745 1.00 9.65 N ATOM 0 H ARG A 74 -11.242 -14.074 -9.750 1.00 5.40 H new ATOM 0 HA ARG A 74 -12.859 -13.131 -12.046 1.00 5.50 H new ATOM 0 HB2 ARG A 74 -12.366 -11.364 -10.325 1.00 6.12 H new ATOM 0 HB3 ARG A 74 -10.656 -11.626 -10.607 1.00 6.12 H new ATOM 0 HG2 ARG A 74 -11.348 -9.714 -11.904 1.00 6.76 H new ATOM 0 HG3 ARG A 74 -10.986 -11.021 -13.014 1.00 6.76 H new ATOM 0 HD2 ARG A 74 -13.044 -9.997 -13.744 1.00 7.55 H new ATOM 0 HD3 ARG A 74 -13.439 -11.578 -13.100 1.00 7.55 H new ATOM 0 HE ARG A 74 -13.743 -9.099 -11.437 1.00 8.14 H new ATOM 0 HH11 ARG A 74 -15.009 -12.103 -12.805 1.00 9.21 H new ATOM 0 HH12 ARG A 74 -16.536 -11.995 -11.923 1.00 9.21 H new ATOM 0 HH21 ARG A 74 -15.714 -8.967 -10.315 1.00 9.65 H new ATOM 0 HH22 ARG A 74 -16.933 -10.229 -10.520 1.00 9.65 H new ATOM 1145 N GLY A 75 -11.103 -13.895 -13.614 1.00 4.93 N ATOM 1146 CA GLY A 75 -10.125 -14.469 -14.515 1.00 4.87 C ATOM 1147 C GLY A 75 -9.163 -13.442 -15.083 1.00 4.49 C ATOM 1148 O GLY A 75 -9.585 -12.506 -15.763 1.00 4.54 O ATOM 0 H GLY A 75 -12.012 -13.702 -14.035 1.00 4.93 H new ATOM 0 HA2 GLY A 75 -9.558 -15.235 -13.986 1.00 4.87 H new ATOM 0 HA3 GLY A 75 -10.643 -14.965 -15.336 1.00 4.87 H new ATOM 1152 N ALA A 76 -7.878 -13.617 -14.771 1.00 4.53 N ATOM 1153 CA ALA A 76 -6.789 -12.823 -15.352 1.00 4.52 C ATOM 1154 C ALA A 76 -6.751 -11.393 -14.818 1.00 3.91 C ATOM 1155 O ALA A 76 -5.891 -11.055 -14.000 1.00 4.15 O ATOM 1156 CB ALA A 76 -6.858 -12.830 -16.875 1.00 5.47 C ATOM 0 H ALA A 76 -7.559 -14.319 -14.103 1.00 4.53 H new ATOM 0 HA ALA A 76 -5.859 -13.300 -15.043 1.00 4.52 H new ATOM 0 HB1 ALA A 76 -6.040 -12.234 -17.279 1.00 5.47 H new ATOM 0 HB2 ALA A 76 -6.775 -13.854 -17.238 1.00 5.47 H new ATOM 0 HB3 ALA A 76 -7.809 -12.407 -17.198 1.00 5.47 H new ATOM 1162 N GLN A 77 -7.673 -10.558 -15.270 1.00 3.61 N ATOM 1163 CA GLN A 77 -7.650 -9.145 -14.925 1.00 3.40 C ATOM 1164 C GLN A 77 -8.548 -8.865 -13.725 1.00 2.90 C ATOM 1165 O GLN A 77 -9.776 -8.905 -13.833 1.00 3.33 O ATOM 1166 CB GLN A 77 -8.095 -8.304 -16.122 1.00 4.25 C ATOM 1167 CG GLN A 77 -7.779 -6.825 -15.979 1.00 4.87 C ATOM 1168 CD GLN A 77 -8.212 -6.011 -17.184 1.00 5.70 C ATOM 1169 OE1 GLN A 77 -8.266 -6.517 -18.307 1.00 6.14 O ATOM 1170 NE2 GLN A 77 -8.493 -4.739 -16.969 1.00 6.26 N ATOM 0 H GLN A 77 -8.446 -10.833 -15.876 1.00 3.61 H new ATOM 0 HA GLN A 77 -6.628 -8.874 -14.659 1.00 3.40 H new ATOM 0 HB2 GLN A 77 -7.612 -8.685 -17.022 1.00 4.25 H new ATOM 0 HB3 GLN A 77 -9.169 -8.425 -16.261 1.00 4.25 H new ATOM 0 HG2 GLN A 77 -8.273 -6.437 -15.088 1.00 4.87 H new ATOM 0 HG3 GLN A 77 -6.707 -6.700 -15.829 1.00 4.87 H new ATOM 0 HE21 GLN A 77 -8.437 -4.357 -16.025 1.00 6.26 H new ATOM 0 HE22 GLN A 77 -8.766 -4.139 -17.747 1.00 6.26 H new ATOM 1179 N VAL A 78 -7.927 -8.587 -12.584 1.00 2.65 N ATOM 1180 CA VAL A 78 -8.656 -8.302 -11.354 1.00 2.75 C ATOM 1181 C VAL A 78 -9.432 -6.991 -11.481 1.00 2.21 C ATOM 1182 O VAL A 78 -8.912 -5.998 -11.980 1.00 2.72 O ATOM 1183 CB VAL A 78 -7.697 -8.224 -10.143 1.00 3.65 C ATOM 1184 CG1 VAL A 78 -8.464 -7.972 -8.850 1.00 4.31 C ATOM 1185 CG2 VAL A 78 -6.877 -9.504 -10.039 1.00 4.21 C ATOM 0 H VAL A 78 -6.912 -8.553 -12.486 1.00 2.65 H new ATOM 0 HA VAL A 78 -9.358 -9.119 -11.189 1.00 2.75 H new ATOM 0 HB VAL A 78 -7.020 -7.384 -10.298 1.00 3.65 H new ATOM 0 HG11 VAL A 78 -7.764 -7.922 -8.016 1.00 4.31 H new ATOM 0 HG12 VAL A 78 -9.006 -7.029 -8.926 1.00 4.31 H new ATOM 0 HG13 VAL A 78 -9.171 -8.784 -8.682 1.00 4.31 H new ATOM 0 HG21 VAL A 78 -6.206 -9.437 -9.183 1.00 4.21 H new ATOM 0 HG22 VAL A 78 -7.546 -10.355 -9.910 1.00 4.21 H new ATOM 0 HG23 VAL A 78 -6.292 -9.636 -10.949 1.00 4.21 H new ATOM 1195 N THR A 79 -10.677 -7.004 -11.026 1.00 1.82 N ATOM 1196 CA THR A 79 -11.565 -5.861 -11.185 1.00 1.90 C ATOM 1197 C THR A 79 -11.748 -5.086 -9.884 1.00 1.53 C ATOM 1198 O THR A 79 -12.425 -4.063 -9.857 1.00 1.82 O ATOM 1199 CB THR A 79 -12.943 -6.334 -11.675 1.00 2.70 C ATOM 1200 OG1 THR A 79 -13.353 -7.482 -10.913 1.00 3.20 O ATOM 1201 CG2 THR A 79 -12.905 -6.683 -13.155 1.00 3.41 C ATOM 0 H THR A 79 -11.097 -7.798 -10.542 1.00 1.82 H new ATOM 0 HA THR A 79 -11.103 -5.197 -11.916 1.00 1.90 H new ATOM 0 HB THR A 79 -13.659 -5.524 -11.535 1.00 2.70 H new ATOM 0 HG1 THR A 79 -13.328 -7.266 -9.957 1.00 3.20 H new ATOM 0 HG21 THR A 79 -13.892 -7.015 -13.476 1.00 3.41 H new ATOM 0 HG22 THR A 79 -12.613 -5.803 -13.729 1.00 3.41 H new ATOM 0 HG23 THR A 79 -12.182 -7.481 -13.322 1.00 3.41 H new ATOM 1209 N ASP A 80 -11.140 -5.568 -8.813 1.00 1.21 N ATOM 1210 CA ASP A 80 -11.368 -4.995 -7.492 1.00 1.14 C ATOM 1211 C ASP A 80 -10.062 -4.467 -6.903 1.00 0.88 C ATOM 1212 O ASP A 80 -8.996 -4.656 -7.491 1.00 1.12 O ATOM 1213 CB ASP A 80 -12.008 -6.042 -6.571 1.00 1.60 C ATOM 1214 CG ASP A 80 -13.360 -6.521 -7.083 1.00 2.14 C ATOM 1215 OD1 ASP A 80 -13.395 -7.451 -7.920 1.00 2.60 O ATOM 1216 OD2 ASP A 80 -14.400 -5.977 -6.646 1.00 2.66 O ATOM 0 H ASP A 80 -10.487 -6.351 -8.829 1.00 1.21 H new ATOM 0 HA ASP A 80 -12.054 -4.153 -7.584 1.00 1.14 H new ATOM 0 HB2 ASP A 80 -11.337 -6.895 -6.475 1.00 1.60 H new ATOM 0 HB3 ASP A 80 -12.130 -5.618 -5.574 1.00 1.60 H new ATOM 1221 N ILE A 81 -10.151 -3.806 -5.751 1.00 0.63 N ATOM 1222 CA ILE A 81 -9.001 -3.115 -5.161 1.00 0.42 C ATOM 1223 C ILE A 81 -8.906 -3.396 -3.658 1.00 0.38 C ATOM 1224 O ILE A 81 -9.925 -3.557 -2.983 1.00 0.57 O ATOM 1225 CB ILE A 81 -9.120 -1.584 -5.388 1.00 0.42 C ATOM 1226 CG1 ILE A 81 -9.077 -1.266 -6.888 1.00 0.56 C ATOM 1227 CG2 ILE A 81 -8.024 -0.827 -4.650 1.00 0.50 C ATOM 1228 CD1 ILE A 81 -9.287 0.201 -7.208 1.00 0.71 C ATOM 0 H ILE A 81 -11.009 -3.733 -5.204 1.00 0.63 H new ATOM 0 HA ILE A 81 -8.100 -3.488 -5.648 1.00 0.42 H new ATOM 0 HB ILE A 81 -10.078 -1.256 -4.985 1.00 0.42 H new ATOM 0 HG12 ILE A 81 -8.114 -1.582 -7.290 1.00 0.56 H new ATOM 0 HG13 ILE A 81 -9.842 -1.853 -7.396 1.00 0.56 H new ATOM 0 HG21 ILE A 81 -8.136 0.242 -4.830 1.00 0.50 H new ATOM 0 HG22 ILE A 81 -8.101 -1.025 -3.581 1.00 0.50 H new ATOM 0 HG23 ILE A 81 -7.049 -1.155 -5.010 1.00 0.50 H new ATOM 0 HD11 ILE A 81 -9.243 0.348 -8.287 1.00 0.71 H new ATOM 0 HD12 ILE A 81 -10.262 0.518 -6.838 1.00 0.71 H new ATOM 0 HD13 ILE A 81 -8.507 0.793 -6.729 1.00 0.71 H new ATOM 1240 N VAL A 82 -7.683 -3.454 -3.128 1.00 0.27 N ATOM 1241 CA VAL A 82 -7.501 -3.621 -1.691 1.00 0.28 C ATOM 1242 C VAL A 82 -6.762 -2.433 -1.089 1.00 0.23 C ATOM 1243 O VAL A 82 -5.803 -1.912 -1.656 1.00 0.26 O ATOM 1244 CB VAL A 82 -6.735 -4.912 -1.331 1.00 0.35 C ATOM 1245 CG1 VAL A 82 -5.357 -4.889 -1.943 1.00 1.02 C ATOM 1246 CG2 VAL A 82 -6.632 -5.086 0.184 1.00 1.17 C ATOM 0 H VAL A 82 -6.818 -3.389 -3.665 1.00 0.27 H new ATOM 0 HA VAL A 82 -8.505 -3.689 -1.272 1.00 0.28 H new ATOM 0 HB VAL A 82 -7.291 -5.758 -1.735 1.00 0.35 H new ATOM 0 HG11 VAL A 82 -4.827 -5.805 -1.681 1.00 1.02 H new ATOM 0 HG12 VAL A 82 -5.442 -4.816 -3.027 1.00 1.02 H new ATOM 0 HG13 VAL A 82 -4.805 -4.030 -1.563 1.00 1.02 H new ATOM 0 HG21 VAL A 82 -6.088 -6.003 0.409 1.00 1.17 H new ATOM 0 HG22 VAL A 82 -6.102 -4.235 0.613 1.00 1.17 H new ATOM 0 HG23 VAL A 82 -7.633 -5.144 0.612 1.00 1.17 H new ATOM 1256 N ILE A 83 -7.233 -2.013 0.060 1.00 0.22 N ATOM 1257 CA ILE A 83 -6.603 -0.979 0.838 1.00 0.19 C ATOM 1258 C ILE A 83 -5.754 -1.585 1.927 1.00 0.19 C ATOM 1259 O ILE A 83 -6.188 -2.493 2.641 1.00 0.24 O ATOM 1260 CB ILE A 83 -7.638 -0.027 1.463 1.00 0.22 C ATOM 1261 CG1 ILE A 83 -8.219 0.831 0.356 1.00 0.27 C ATOM 1262 CG2 ILE A 83 -7.022 0.833 2.564 1.00 0.24 C ATOM 1263 CD1 ILE A 83 -8.983 2.048 0.838 1.00 0.37 C ATOM 0 H ILE A 83 -8.080 -2.388 0.487 1.00 0.22 H new ATOM 0 HA ILE A 83 -5.973 -0.402 0.161 1.00 0.19 H new ATOM 0 HB ILE A 83 -8.428 -0.609 1.937 1.00 0.22 H new ATOM 0 HG12 ILE A 83 -7.408 1.161 -0.294 1.00 0.27 H new ATOM 0 HG13 ILE A 83 -8.884 0.217 -0.251 1.00 0.27 H new ATOM 0 HG21 ILE A 83 -7.784 1.492 2.980 1.00 0.24 H new ATOM 0 HG22 ILE A 83 -6.629 0.190 3.351 1.00 0.24 H new ATOM 0 HG23 ILE A 83 -6.213 1.433 2.147 1.00 0.24 H new ATOM 0 HD11 ILE A 83 -9.363 2.603 -0.020 1.00 0.37 H new ATOM 0 HD12 ILE A 83 -9.818 1.730 1.463 1.00 0.37 H new ATOM 0 HD13 ILE A 83 -8.319 2.688 1.419 1.00 0.37 H new ATOM 1275 N LEU A 84 -4.546 -1.091 2.040 1.00 0.19 N ATOM 1276 CA LEU A 84 -3.653 -1.551 3.076 1.00 0.23 C ATOM 1277 C LEU A 84 -3.495 -0.482 4.141 1.00 0.24 C ATOM 1278 O LEU A 84 -2.844 0.535 3.921 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.283 -1.915 2.522 1.00 0.39 C ATOM 1280 CG LEU A 84 -1.772 -3.275 2.981 1.00 0.31 C ATOM 1281 CD1 LEU A 84 -1.653 -3.340 4.502 1.00 0.91 C ATOM 1282 CD2 LEU A 84 -2.709 -4.346 2.473 1.00 1.01 C ATOM 0 H LEU A 84 -4.158 -0.372 1.429 1.00 0.19 H new ATOM 0 HA LEU A 84 -4.094 -2.448 3.511 1.00 0.23 H new ATOM 0 HB2 LEU A 84 -2.328 -1.903 1.433 1.00 0.39 H new ATOM 0 HB3 LEU A 84 -1.567 -1.149 2.820 1.00 0.39 H new ATOM 0 HG LEU A 84 -0.774 -3.436 2.573 1.00 0.31 H new ATOM 0 HD11 LEU A 84 -1.286 -4.323 4.797 1.00 0.91 H new ATOM 0 HD12 LEU A 84 -0.957 -2.575 4.846 1.00 0.91 H new ATOM 0 HD13 LEU A 84 -2.631 -3.168 4.951 1.00 0.91 H new ATOM 0 HD21 LEU A 84 -2.353 -5.324 2.796 1.00 1.01 H new ATOM 0 HD22 LEU A 84 -3.709 -4.174 2.872 1.00 1.01 H new ATOM 0 HD23 LEU A 84 -2.743 -4.313 1.384 1.00 1.01 H new ATOM 1294 N VAL A 85 -4.092 -0.715 5.286 1.00 0.21 N ATOM 1295 CA VAL A 85 -4.011 0.217 6.390 1.00 0.27 C ATOM 1296 C VAL A 85 -2.779 -0.067 7.237 1.00 0.25 C ATOM 1297 O VAL A 85 -2.791 -0.940 8.108 1.00 0.29 O ATOM 1298 CB VAL A 85 -5.279 0.134 7.262 1.00 0.34 C ATOM 1299 CG1 VAL A 85 -5.181 1.079 8.442 1.00 0.43 C ATOM 1300 CG2 VAL A 85 -6.513 0.448 6.434 1.00 0.40 C ATOM 0 H VAL A 85 -4.645 -1.550 5.480 1.00 0.21 H new ATOM 0 HA VAL A 85 -3.932 1.224 5.981 1.00 0.27 H new ATOM 0 HB VAL A 85 -5.365 -0.883 7.644 1.00 0.34 H new ATOM 0 HG11 VAL A 85 -6.087 1.004 9.044 1.00 0.43 H new ATOM 0 HG12 VAL A 85 -4.317 0.812 9.051 1.00 0.43 H new ATOM 0 HG13 VAL A 85 -5.069 2.101 8.081 1.00 0.43 H new ATOM 0 HG21 VAL A 85 -7.400 0.385 7.065 1.00 0.40 H new ATOM 0 HG22 VAL A 85 -6.430 1.455 6.024 1.00 0.40 H new ATOM 0 HG23 VAL A 85 -6.596 -0.270 5.618 1.00 0.40 H new ATOM 1310 N VAL A 86 -1.695 0.637 6.941 1.00 0.22 N ATOM 1311 CA VAL A 86 -0.491 0.543 7.733 1.00 0.20 C ATOM 1312 C VAL A 86 -0.235 1.838 8.495 1.00 0.17 C ATOM 1313 O VAL A 86 -0.162 2.918 7.909 1.00 0.22 O ATOM 1314 CB VAL A 86 0.733 0.212 6.866 1.00 0.23 C ATOM 1315 CG1 VAL A 86 0.674 -1.228 6.398 1.00 0.49 C ATOM 1316 CG2 VAL A 86 0.834 1.152 5.675 1.00 0.64 C ATOM 0 H VAL A 86 -1.632 1.281 6.152 1.00 0.22 H new ATOM 0 HA VAL A 86 -0.643 -0.269 8.444 1.00 0.20 H new ATOM 0 HB VAL A 86 1.625 0.347 7.478 1.00 0.23 H new ATOM 0 HG11 VAL A 86 1.548 -1.447 5.785 1.00 0.49 H new ATOM 0 HG12 VAL A 86 0.662 -1.891 7.263 1.00 0.49 H new ATOM 0 HG13 VAL A 86 -0.230 -1.382 5.809 1.00 0.49 H new ATOM 0 HG21 VAL A 86 1.710 0.893 5.080 1.00 0.64 H new ATOM 0 HG22 VAL A 86 -0.062 1.059 5.061 1.00 0.64 H new ATOM 0 HG23 VAL A 86 0.926 2.179 6.029 1.00 0.64 H new ATOM 1326 N ALA A 87 -0.126 1.730 9.806 1.00 0.17 N ATOM 1327 CA ALA A 87 0.228 2.875 10.628 1.00 0.18 C ATOM 1328 C ALA A 87 1.695 3.228 10.415 1.00 0.16 C ATOM 1329 O ALA A 87 2.560 2.360 10.492 1.00 0.24 O ATOM 1330 CB ALA A 87 -0.050 2.580 12.094 1.00 0.28 C ATOM 0 H ALA A 87 -0.277 0.865 10.324 1.00 0.17 H new ATOM 0 HA ALA A 87 -0.382 3.729 10.334 1.00 0.18 H new ATOM 0 HB1 ALA A 87 0.220 3.447 12.697 1.00 0.28 H new ATOM 0 HB2 ALA A 87 -1.110 2.362 12.227 1.00 0.28 H new ATOM 0 HB3 ALA A 87 0.540 1.720 12.410 1.00 0.28 H new ATOM 1336 N ALA A 88 1.972 4.503 10.156 1.00 0.12 N ATOM 1337 CA ALA A 88 3.310 4.932 9.757 1.00 0.14 C ATOM 1338 C ALA A 88 4.300 4.793 10.891 1.00 0.16 C ATOM 1339 O ALA A 88 5.513 4.765 10.676 1.00 0.22 O ATOM 1340 CB ALA A 88 3.291 6.373 9.288 1.00 0.17 C ATOM 0 H ALA A 88 1.288 5.257 10.215 1.00 0.12 H new ATOM 0 HA ALA A 88 3.624 4.284 8.939 1.00 0.14 H new ATOM 0 HB1 ALA A 88 4.297 6.674 8.995 1.00 0.17 H new ATOM 0 HB2 ALA A 88 2.621 6.469 8.434 1.00 0.17 H new ATOM 0 HB3 ALA A 88 2.942 7.014 10.097 1.00 0.17 H new ATOM 1346 N ASP A 89 3.782 4.713 12.093 1.00 0.16 N ATOM 1347 CA ASP A 89 4.640 4.636 13.269 1.00 0.21 C ATOM 1348 C ASP A 89 5.051 3.191 13.542 1.00 0.22 C ATOM 1349 O ASP A 89 5.989 2.934 14.297 1.00 0.37 O ATOM 1350 CB ASP A 89 3.932 5.212 14.493 1.00 0.30 C ATOM 1351 CG ASP A 89 2.939 4.240 15.092 1.00 0.39 C ATOM 1352 OD1 ASP A 89 1.885 3.991 14.466 1.00 0.47 O ATOM 1353 OD2 ASP A 89 3.197 3.737 16.202 1.00 0.58 O ATOM 0 H ASP A 89 2.781 4.699 12.290 1.00 0.16 H new ATOM 0 HA ASP A 89 5.535 5.226 13.070 1.00 0.21 H new ATOM 0 HB2 ASP A 89 4.673 5.481 15.246 1.00 0.30 H new ATOM 0 HB3 ASP A 89 3.415 6.130 14.213 1.00 0.30 H new ATOM 1358 N ASP A 90 4.360 2.257 12.902 1.00 0.19 N ATOM 1359 CA ASP A 90 4.569 0.832 13.153 1.00 0.23 C ATOM 1360 C ASP A 90 5.049 0.132 11.880 1.00 0.25 C ATOM 1361 O ASP A 90 6.103 -0.499 11.867 1.00 0.42 O ATOM 1362 CB ASP A 90 3.266 0.217 13.660 1.00 0.26 C ATOM 1363 CG ASP A 90 3.478 -0.982 14.559 1.00 0.36 C ATOM 1364 OD1 ASP A 90 4.322 -0.903 15.474 1.00 0.56 O ATOM 1365 OD2 ASP A 90 2.771 -1.993 14.374 1.00 0.46 O ATOM 0 H ASP A 90 3.646 2.459 12.202 1.00 0.19 H new ATOM 0 HA ASP A 90 5.340 0.702 13.912 1.00 0.23 H new ATOM 0 HB2 ASP A 90 2.703 0.975 14.204 1.00 0.26 H new ATOM 0 HB3 ASP A 90 2.657 -0.081 12.806 1.00 0.26 H new ATOM 1370 N GLY A 91 4.277 0.281 10.807 1.00 0.20 N ATOM 1371 CA GLY A 91 4.687 -0.215 9.503 1.00 0.21 C ATOM 1372 C GLY A 91 4.059 -1.545 9.143 1.00 0.22 C ATOM 1373 O GLY A 91 2.842 -1.696 9.206 1.00 0.37 O ATOM 0 H GLY A 91 3.367 0.741 10.818 1.00 0.20 H new ATOM 0 HA2 GLY A 91 4.424 0.521 8.743 1.00 0.21 H new ATOM 0 HA3 GLY A 91 5.772 -0.317 9.486 1.00 0.21 H new ATOM 1377 N VAL A 92 4.883 -2.507 8.750 1.00 0.26 N ATOM 1378 CA VAL A 92 4.388 -3.819 8.358 1.00 0.26 C ATOM 1379 C VAL A 92 4.651 -4.826 9.473 1.00 0.24 C ATOM 1380 O VAL A 92 5.721 -4.843 10.094 1.00 0.28 O ATOM 1381 CB VAL A 92 5.018 -4.304 7.030 1.00 0.32 C ATOM 1382 CG1 VAL A 92 6.468 -4.722 7.218 1.00 0.96 C ATOM 1383 CG2 VAL A 92 4.196 -5.437 6.431 1.00 1.03 C ATOM 0 H VAL A 92 5.896 -2.403 8.694 1.00 0.26 H new ATOM 0 HA VAL A 92 3.314 -3.734 8.192 1.00 0.26 H new ATOM 0 HB VAL A 92 5.010 -3.467 6.332 1.00 0.32 H new ATOM 0 HG11 VAL A 92 6.877 -5.056 6.265 1.00 0.96 H new ATOM 0 HG12 VAL A 92 7.047 -3.874 7.583 1.00 0.96 H new ATOM 0 HG13 VAL A 92 6.521 -5.536 7.941 1.00 0.96 H new ATOM 0 HG21 VAL A 92 4.654 -5.765 5.498 1.00 1.03 H new ATOM 0 HG22 VAL A 92 4.162 -6.271 7.131 1.00 1.03 H new ATOM 0 HG23 VAL A 92 3.183 -5.087 6.234 1.00 1.03 H new ATOM 1393 N MET A 93 3.652 -5.642 9.725 1.00 0.22 N ATOM 1394 CA MET A 93 3.635 -6.554 10.854 1.00 0.22 C ATOM 1395 C MET A 93 3.030 -7.887 10.401 1.00 0.22 C ATOM 1396 O MET A 93 2.616 -7.995 9.244 1.00 0.23 O ATOM 1397 CB MET A 93 2.815 -5.916 11.977 1.00 0.21 C ATOM 1398 CG MET A 93 3.337 -4.554 12.405 1.00 0.23 C ATOM 1399 SD MET A 93 4.804 -4.677 13.437 1.00 0.28 S ATOM 1400 CE MET A 93 4.028 -5.166 14.970 1.00 0.27 C ATOM 0 H MET A 93 2.815 -5.694 9.145 1.00 0.22 H new ATOM 0 HA MET A 93 4.641 -6.746 11.226 1.00 0.22 H new ATOM 0 HB2 MET A 93 1.781 -5.814 11.649 1.00 0.21 H new ATOM 0 HB3 MET A 93 2.812 -6.583 12.839 1.00 0.21 H new ATOM 0 HG2 MET A 93 3.567 -3.961 11.520 1.00 0.23 H new ATOM 0 HG3 MET A 93 2.556 -4.023 12.950 1.00 0.23 H new ATOM 0 HE1 MET A 93 4.211 -4.406 15.729 1.00 0.27 H new ATOM 0 HE2 MET A 93 2.954 -5.274 14.816 1.00 0.27 H new ATOM 0 HE3 MET A 93 4.444 -6.117 15.301 1.00 0.27 H new ATOM 1410 N PRO A 94 2.974 -8.917 11.275 1.00 0.25 N ATOM 1411 CA PRO A 94 2.450 -10.247 10.920 1.00 0.30 C ATOM 1412 C PRO A 94 1.187 -10.223 10.050 1.00 0.28 C ATOM 1413 O PRO A 94 1.228 -10.612 8.883 1.00 0.31 O ATOM 1414 CB PRO A 94 2.147 -10.859 12.280 1.00 0.37 C ATOM 1415 CG PRO A 94 3.183 -10.282 13.180 1.00 0.58 C ATOM 1416 CD PRO A 94 3.447 -8.886 12.677 1.00 0.30 C ATOM 0 HA PRO A 94 3.165 -10.801 10.312 1.00 0.30 H new ATOM 0 HB2 PRO A 94 1.142 -10.605 12.616 1.00 0.37 H new ATOM 0 HB3 PRO A 94 2.207 -11.947 12.249 1.00 0.37 H new ATOM 0 HG2 PRO A 94 2.835 -10.264 14.213 1.00 0.58 H new ATOM 0 HG3 PRO A 94 4.093 -10.881 13.160 1.00 0.58 H new ATOM 0 HD2 PRO A 94 2.909 -8.142 13.264 1.00 0.30 H new ATOM 0 HD3 PRO A 94 4.506 -8.634 12.736 1.00 0.30 H new ATOM 1424 N GLN A 95 0.069 -9.746 10.601 1.00 0.29 N ATOM 1425 CA GLN A 95 -1.196 -9.808 9.881 1.00 0.32 C ATOM 1426 C GLN A 95 -1.241 -8.775 8.759 1.00 0.31 C ATOM 1427 O GLN A 95 -2.068 -8.855 7.851 1.00 0.37 O ATOM 1428 CB GLN A 95 -2.389 -9.628 10.825 1.00 0.37 C ATOM 1429 CG GLN A 95 -2.749 -8.185 11.136 1.00 0.45 C ATOM 1430 CD GLN A 95 -4.167 -8.049 11.669 1.00 0.50 C ATOM 1431 OE1 GLN A 95 -4.327 -8.037 12.986 1.00 0.75 O flip ATOM 1432 NE2 GLN A 95 -5.116 -7.928 10.900 1.00 0.34 N flip ATOM 0 H GLN A 95 0.017 -9.321 11.527 1.00 0.29 H new ATOM 0 HA GLN A 95 -1.267 -10.801 9.436 1.00 0.32 H new ATOM 0 HB2 GLN A 95 -3.258 -10.117 10.385 1.00 0.37 H new ATOM 0 HB3 GLN A 95 -2.173 -10.143 11.761 1.00 0.37 H new ATOM 0 HG2 GLN A 95 -2.047 -7.787 11.869 1.00 0.45 H new ATOM 0 HG3 GLN A 95 -2.643 -7.583 10.234 1.00 0.45 H new ATOM 0 HE21 GLN A 95 -4.961 -7.941 9.892 1.00 0.34 H new ATOM 0 HE22 GLN A 95 -6.060 -7.814 11.269 1.00 0.34 H new ATOM 1441 N THR A 96 -0.326 -7.821 8.818 1.00 0.26 N ATOM 1442 CA THR A 96 -0.199 -6.815 7.781 1.00 0.25 C ATOM 1443 C THR A 96 0.284 -7.475 6.506 1.00 0.25 C ATOM 1444 O THR A 96 -0.222 -7.210 5.417 1.00 0.31 O ATOM 1445 CB THR A 96 0.795 -5.729 8.186 1.00 0.25 C ATOM 1446 OG1 THR A 96 0.893 -5.694 9.605 1.00 0.24 O ATOM 1447 CG2 THR A 96 0.353 -4.371 7.679 1.00 0.28 C ATOM 0 H THR A 96 0.344 -7.724 9.581 1.00 0.26 H new ATOM 0 HA THR A 96 -1.174 -6.353 7.628 1.00 0.25 H new ATOM 0 HB THR A 96 1.764 -5.961 7.745 1.00 0.25 H new ATOM 0 HG1 THR A 96 1.318 -4.856 9.883 1.00 0.24 H new ATOM 0 HG21 THR A 96 1.079 -3.616 7.981 1.00 0.28 H new ATOM 0 HG22 THR A 96 0.284 -4.393 6.591 1.00 0.28 H new ATOM 0 HG23 THR A 96 -0.622 -4.126 8.099 1.00 0.28 H new ATOM 1455 N VAL A 97 1.267 -8.355 6.661 1.00 0.25 N ATOM 1456 CA VAL A 97 1.787 -9.104 5.549 1.00 0.31 C ATOM 1457 C VAL A 97 0.756 -10.066 5.010 1.00 0.23 C ATOM 1458 O VAL A 97 0.635 -10.230 3.808 1.00 0.24 O ATOM 1459 CB VAL A 97 3.016 -9.927 5.912 1.00 0.48 C ATOM 1460 CG1 VAL A 97 3.584 -10.522 4.654 1.00 1.02 C ATOM 1461 CG2 VAL A 97 4.045 -9.092 6.621 1.00 1.38 C ATOM 0 H VAL A 97 1.714 -8.560 7.555 1.00 0.25 H new ATOM 0 HA VAL A 97 2.058 -8.356 4.804 1.00 0.31 H new ATOM 0 HB VAL A 97 2.725 -10.723 6.598 1.00 0.48 H new ATOM 0 HG11 VAL A 97 4.466 -11.115 4.898 1.00 1.02 H new ATOM 0 HG12 VAL A 97 2.836 -11.160 4.184 1.00 1.02 H new ATOM 0 HG13 VAL A 97 3.863 -9.723 3.967 1.00 1.02 H new ATOM 0 HG21 VAL A 97 4.909 -9.710 6.866 1.00 1.38 H new ATOM 0 HG22 VAL A 97 4.357 -8.272 5.974 1.00 1.38 H new ATOM 0 HG23 VAL A 97 3.616 -8.688 7.538 1.00 1.38 H new ATOM 1471 N GLU A 98 0.037 -10.724 5.903 1.00 0.24 N ATOM 1472 CA GLU A 98 -1.006 -11.667 5.500 1.00 0.29 C ATOM 1473 C GLU A 98 -2.028 -10.978 4.599 1.00 0.31 C ATOM 1474 O GLU A 98 -2.593 -11.591 3.693 1.00 0.37 O ATOM 1475 CB GLU A 98 -1.691 -12.262 6.728 1.00 0.39 C ATOM 1476 CG GLU A 98 -0.759 -13.104 7.582 1.00 0.92 C ATOM 1477 CD GLU A 98 -1.441 -13.683 8.801 1.00 1.64 C ATOM 1478 OE1 GLU A 98 -2.554 -14.232 8.656 1.00 1.97 O ATOM 1479 OE2 GLU A 98 -0.881 -13.569 9.913 1.00 2.35 O ATOM 0 H GLU A 98 0.152 -10.627 6.912 1.00 0.24 H new ATOM 0 HA GLU A 98 -0.541 -12.477 4.938 1.00 0.29 H new ATOM 0 HB2 GLU A 98 -2.100 -11.454 7.335 1.00 0.39 H new ATOM 0 HB3 GLU A 98 -2.532 -12.876 6.406 1.00 0.39 H new ATOM 0 HG2 GLU A 98 -0.355 -13.916 6.978 1.00 0.92 H new ATOM 0 HG3 GLU A 98 0.086 -12.493 7.900 1.00 0.92 H new ATOM 1486 N ALA A 99 -2.236 -9.692 4.845 1.00 0.31 N ATOM 1487 CA ALA A 99 -3.095 -8.879 3.999 1.00 0.35 C ATOM 1488 C ALA A 99 -2.440 -8.638 2.640 1.00 0.34 C ATOM 1489 O ALA A 99 -3.125 -8.549 1.620 1.00 0.44 O ATOM 1490 CB ALA A 99 -3.409 -7.556 4.681 1.00 0.39 C ATOM 0 H ALA A 99 -1.819 -9.188 5.628 1.00 0.31 H new ATOM 0 HA ALA A 99 -4.029 -9.417 3.838 1.00 0.35 H new ATOM 0 HB1 ALA A 99 -4.053 -6.958 4.036 1.00 0.39 H new ATOM 0 HB2 ALA A 99 -3.918 -7.746 5.626 1.00 0.39 H new ATOM 0 HB3 ALA A 99 -2.482 -7.015 4.870 1.00 0.39 H new ATOM 1496 N ILE A 100 -1.114 -8.567 2.627 1.00 0.28 N ATOM 1497 CA ILE A 100 -0.372 -8.361 1.406 1.00 0.29 C ATOM 1498 C ILE A 100 -0.297 -9.667 0.636 1.00 0.29 C ATOM 1499 O ILE A 100 -0.505 -9.713 -0.571 1.00 0.34 O ATOM 1500 CB ILE A 100 1.052 -7.878 1.726 1.00 0.32 C ATOM 1501 CG1 ILE A 100 1.006 -6.496 2.379 1.00 0.35 C ATOM 1502 CG2 ILE A 100 1.900 -7.867 0.470 1.00 0.36 C ATOM 1503 CD1 ILE A 100 2.335 -6.046 2.942 1.00 0.41 C ATOM 0 H ILE A 100 -0.533 -8.651 3.461 1.00 0.28 H new ATOM 0 HA ILE A 100 -0.879 -7.605 0.806 1.00 0.29 H new ATOM 0 HB ILE A 100 1.512 -8.569 2.432 1.00 0.32 H new ATOM 0 HG12 ILE A 100 0.668 -5.767 1.643 1.00 0.35 H new ATOM 0 HG13 ILE A 100 0.267 -6.507 3.180 1.00 0.35 H new ATOM 0 HG21 ILE A 100 2.905 -7.523 0.713 1.00 0.36 H new ATOM 0 HG22 ILE A 100 1.951 -8.874 0.057 1.00 0.36 H new ATOM 0 HG23 ILE A 100 1.454 -7.196 -0.264 1.00 0.36 H new ATOM 0 HD11 ILE A 100 2.225 -5.058 3.389 1.00 0.41 H new ATOM 0 HD12 ILE A 100 2.666 -6.753 3.702 1.00 0.41 H new ATOM 0 HD13 ILE A 100 3.073 -6.002 2.141 1.00 0.41 H new ATOM 1515 N ASN A 101 -0.005 -10.721 1.373 1.00 0.29 N ATOM 1516 CA ASN A 101 0.075 -12.066 0.846 1.00 0.34 C ATOM 1517 C ASN A 101 -1.236 -12.466 0.183 1.00 0.36 C ATOM 1518 O ASN A 101 -1.237 -13.106 -0.863 1.00 0.43 O ATOM 1519 CB ASN A 101 0.441 -13.021 1.989 1.00 0.44 C ATOM 1520 CG ASN A 101 1.927 -13.066 2.253 1.00 0.53 C ATOM 1521 OD1 ASN A 101 2.737 -12.990 1.330 1.00 0.67 O ATOM 1522 ND2 ASN A 101 2.301 -13.164 3.514 1.00 0.64 N ATOM 0 H ASN A 101 0.187 -10.664 2.373 1.00 0.29 H new ATOM 0 HA ASN A 101 0.847 -12.116 0.078 1.00 0.34 H new ATOM 0 HB2 ASN A 101 -0.077 -12.711 2.897 1.00 0.44 H new ATOM 0 HB3 ASN A 101 0.088 -14.024 1.747 1.00 0.44 H new ATOM 0 HD21 ASN A 101 3.293 -13.179 3.752 1.00 0.64 H new ATOM 0 HD22 ASN A 101 1.599 -13.225 4.251 1.00 0.64 H new ATOM 1529 N HIS A 102 -2.347 -12.051 0.778 1.00 0.35 N ATOM 1530 CA HIS A 102 -3.663 -12.303 0.209 1.00 0.43 C ATOM 1531 C HIS A 102 -3.842 -11.483 -1.072 1.00 0.37 C ATOM 1532 O HIS A 102 -4.472 -11.931 -2.030 1.00 0.41 O ATOM 1533 CB HIS A 102 -4.737 -11.947 1.246 1.00 0.61 C ATOM 1534 CG HIS A 102 -6.104 -12.463 0.918 1.00 1.18 C ATOM 1535 ND1 HIS A 102 -6.896 -12.229 -0.147 1.00 2.07 N flip ATOM 1536 CD2 HIS A 102 -6.814 -13.314 1.739 1.00 1.10 C flip ATOM 1537 CE1 HIS A 102 -8.059 -12.931 0.041 1.00 2.50 C flip ATOM 1538 NE2 HIS A 102 -7.983 -13.581 1.187 1.00 1.91 N flip ATOM 0 H HIS A 102 -2.362 -11.536 1.658 1.00 0.35 H new ATOM 0 HA HIS A 102 -3.761 -13.357 -0.049 1.00 0.43 H new ATOM 0 HB2 HIS A 102 -4.435 -12.343 2.216 1.00 0.61 H new ATOM 0 HB3 HIS A 102 -4.785 -10.863 1.345 1.00 0.61 H new ATOM 0 HD2 HIS A 102 -6.468 -13.701 2.686 1.00 1.10 H new ATOM 0 HE1 HIS A 102 -8.899 -12.949 -0.637 1.00 2.50 H new ATOM 0 HE2 HIS A 102 -8.704 -14.186 1.579 1.00 1.91 H new ATOM 1547 N ALA A 103 -3.262 -10.290 -1.085 1.00 0.37 N ATOM 1548 CA ALA A 103 -3.397 -9.377 -2.212 1.00 0.41 C ATOM 1549 C ALA A 103 -2.509 -9.786 -3.388 1.00 0.40 C ATOM 1550 O ALA A 103 -2.974 -9.855 -4.522 1.00 0.44 O ATOM 1551 CB ALA A 103 -3.075 -7.957 -1.779 1.00 0.47 C ATOM 0 H ALA A 103 -2.689 -9.930 -0.321 1.00 0.37 H new ATOM 0 HA ALA A 103 -4.432 -9.424 -2.551 1.00 0.41 H new ATOM 0 HB1 ALA A 103 -3.180 -7.284 -2.630 1.00 0.47 H new ATOM 0 HB2 ALA A 103 -3.762 -7.653 -0.990 1.00 0.47 H new ATOM 0 HB3 ALA A 103 -2.052 -7.914 -1.406 1.00 0.47 H new ATOM 1557 N LYS A 104 -1.233 -10.058 -3.123 1.00 0.41 N ATOM 1558 CA LYS A 104 -0.298 -10.415 -4.182 1.00 0.49 C ATOM 1559 C LYS A 104 -0.682 -11.749 -4.784 1.00 0.54 C ATOM 1560 O LYS A 104 -0.574 -11.954 -5.991 1.00 0.66 O ATOM 1561 CB LYS A 104 1.128 -10.493 -3.647 1.00 0.61 C ATOM 1562 CG LYS A 104 1.531 -9.297 -2.807 1.00 0.70 C ATOM 1563 CD LYS A 104 1.335 -7.978 -3.545 1.00 0.84 C ATOM 1564 CE LYS A 104 2.122 -7.916 -4.849 1.00 0.99 C ATOM 1565 NZ LYS A 104 3.593 -7.955 -4.634 1.00 1.66 N ATOM 0 H LYS A 104 -0.826 -10.038 -2.188 1.00 0.41 H new ATOM 0 HA LYS A 104 -0.343 -9.640 -4.948 1.00 0.49 H new ATOM 0 HB2 LYS A 104 1.233 -11.398 -3.048 1.00 0.61 H new ATOM 0 HB3 LYS A 104 1.817 -10.585 -4.487 1.00 0.61 H new ATOM 0 HG2 LYS A 104 0.944 -9.287 -1.888 1.00 0.70 H new ATOM 0 HG3 LYS A 104 2.577 -9.396 -2.516 1.00 0.70 H new ATOM 0 HD2 LYS A 104 0.275 -7.838 -3.757 1.00 0.84 H new ATOM 0 HD3 LYS A 104 1.642 -7.155 -2.900 1.00 0.84 H new ATOM 0 HE2 LYS A 104 1.830 -8.751 -5.485 1.00 0.99 H new ATOM 0 HE3 LYS A 104 1.861 -7.002 -5.383 1.00 0.99 H new ATOM 0 HZ1 LYS A 104 4.021 -7.082 -5.003 1.00 1.66 H new ATOM 0 HZ2 LYS A 104 3.793 -8.035 -3.617 1.00 1.66 H new ATOM 0 HZ3 LYS A 104 3.995 -8.775 -5.132 1.00 1.66 H new ATOM 1579 N ALA A 105 -1.123 -12.651 -3.924 1.00 0.51 N ATOM 1580 CA ALA A 105 -1.626 -13.947 -4.373 1.00 0.61 C ATOM 1581 C ALA A 105 -2.790 -13.776 -5.346 1.00 0.62 C ATOM 1582 O ALA A 105 -2.939 -14.548 -6.294 1.00 0.77 O ATOM 1583 CB ALA A 105 -2.055 -14.803 -3.194 1.00 0.65 C ATOM 0 H ALA A 105 -1.145 -12.515 -2.913 1.00 0.51 H new ATOM 0 HA ALA A 105 -0.812 -14.453 -4.892 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -2.425 -15.762 -3.556 1.00 0.65 H new ATOM 0 HB2 ALA A 105 -1.202 -14.969 -2.535 1.00 0.65 H new ATOM 0 HB3 ALA A 105 -2.846 -14.294 -2.643 1.00 0.65 H new ATOM 1589 N ALA A 106 -3.616 -12.763 -5.110 1.00 0.54 N ATOM 1590 CA ALA A 106 -4.742 -12.477 -5.986 1.00 0.64 C ATOM 1591 C ALA A 106 -4.296 -11.718 -7.232 1.00 0.64 C ATOM 1592 O ALA A 106 -4.885 -11.874 -8.303 1.00 0.74 O ATOM 1593 CB ALA A 106 -5.805 -11.689 -5.242 1.00 0.68 C ATOM 0 H ALA A 106 -3.525 -12.127 -4.318 1.00 0.54 H new ATOM 0 HA ALA A 106 -5.167 -13.429 -6.306 1.00 0.64 H new ATOM 0 HB1 ALA A 106 -6.640 -11.483 -5.911 1.00 0.68 H new ATOM 0 HB2 ALA A 106 -6.158 -12.269 -4.389 1.00 0.68 H new ATOM 0 HB3 ALA A 106 -5.381 -10.748 -4.891 1.00 0.68 H new ATOM 1599 N ASN A 107 -3.264 -10.883 -7.055 1.00 0.59 N ATOM 1600 CA ASN A 107 -2.624 -10.135 -8.143 1.00 0.65 C ATOM 1601 C ASN A 107 -3.424 -8.873 -8.409 1.00 0.60 C ATOM 1602 O ASN A 107 -3.668 -8.476 -9.547 1.00 0.85 O ATOM 1603 CB ASN A 107 -2.465 -10.986 -9.405 1.00 0.85 C ATOM 1604 CG ASN A 107 -1.611 -10.337 -10.468 1.00 1.04 C ATOM 1605 OD1 ASN A 107 -0.734 -9.518 -10.179 1.00 1.17 O ATOM 1606 ND2 ASN A 107 -1.846 -10.720 -11.709 1.00 1.41 N ATOM 0 H ASN A 107 -2.846 -10.706 -6.142 1.00 0.59 H new ATOM 0 HA ASN A 107 -1.614 -9.860 -7.839 1.00 0.65 H new ATOM 0 HB2 ASN A 107 -2.025 -11.946 -9.133 1.00 0.85 H new ATOM 0 HB3 ASN A 107 -3.451 -11.194 -9.820 1.00 0.85 H new ATOM 0 HD21 ASN A 107 -1.292 -10.336 -12.475 1.00 1.41 H new ATOM 0 HD22 ASN A 107 -2.581 -11.400 -11.902 1.00 1.41 H new ATOM 1613 N VAL A 108 -3.823 -8.249 -7.318 1.00 0.44 N ATOM 1614 CA VAL A 108 -4.683 -7.093 -7.339 1.00 0.42 C ATOM 1615 C VAL A 108 -3.893 -5.811 -7.074 1.00 0.37 C ATOM 1616 O VAL A 108 -2.940 -5.812 -6.288 1.00 0.38 O ATOM 1617 CB VAL A 108 -5.779 -7.256 -6.266 1.00 0.49 C ATOM 1618 CG1 VAL A 108 -5.189 -7.758 -4.961 1.00 1.06 C ATOM 1619 CG2 VAL A 108 -6.484 -5.949 -6.035 1.00 1.35 C ATOM 0 H VAL A 108 -3.551 -8.540 -6.379 1.00 0.44 H new ATOM 0 HA VAL A 108 -5.134 -7.015 -8.328 1.00 0.42 H new ATOM 0 HB VAL A 108 -6.498 -7.991 -6.629 1.00 0.49 H new ATOM 0 HG11 VAL A 108 -5.982 -7.865 -4.221 1.00 1.06 H new ATOM 0 HG12 VAL A 108 -4.713 -8.725 -5.125 1.00 1.06 H new ATOM 0 HG13 VAL A 108 -4.448 -7.046 -4.599 1.00 1.06 H new ATOM 0 HG21 VAL A 108 -7.254 -6.080 -5.275 1.00 1.35 H new ATOM 0 HG22 VAL A 108 -5.765 -5.203 -5.697 1.00 1.35 H new ATOM 0 HG23 VAL A 108 -6.945 -5.615 -6.965 1.00 1.35 H new ATOM 1629 N PRO A 109 -4.255 -4.708 -7.752 1.00 0.35 N ATOM 1630 CA PRO A 109 -3.698 -3.390 -7.456 1.00 0.33 C ATOM 1631 C PRO A 109 -4.095 -2.909 -6.064 1.00 0.28 C ATOM 1632 O PRO A 109 -5.229 -3.128 -5.612 1.00 0.29 O ATOM 1633 CB PRO A 109 -4.294 -2.475 -8.526 1.00 0.37 C ATOM 1634 CG PRO A 109 -4.825 -3.390 -9.580 1.00 0.47 C ATOM 1635 CD PRO A 109 -5.205 -4.660 -8.876 1.00 0.40 C ATOM 0 HA PRO A 109 -2.608 -3.402 -7.467 1.00 0.33 H new ATOM 0 HB2 PRO A 109 -5.086 -1.851 -8.112 1.00 0.37 H new ATOM 0 HB3 PRO A 109 -3.539 -1.803 -8.933 1.00 0.37 H new ATOM 0 HG2 PRO A 109 -5.687 -2.949 -10.081 1.00 0.47 H new ATOM 0 HG3 PRO A 109 -4.073 -3.579 -10.347 1.00 0.47 H new ATOM 0 HD2 PRO A 109 -6.239 -4.637 -8.531 1.00 0.40 H new ATOM 0 HD3 PRO A 109 -5.105 -5.529 -9.527 1.00 0.40 H new ATOM 1643 N ILE A 110 -3.178 -2.244 -5.383 1.00 0.25 N ATOM 1644 CA ILE A 110 -3.397 -1.908 -3.999 1.00 0.21 C ATOM 1645 C ILE A 110 -3.591 -0.403 -3.804 1.00 0.19 C ATOM 1646 O ILE A 110 -3.259 0.407 -4.674 1.00 0.23 O ATOM 1647 CB ILE A 110 -2.226 -2.437 -3.134 1.00 0.23 C ATOM 1648 CG1 ILE A 110 -2.163 -3.965 -3.220 1.00 0.38 C ATOM 1649 CG2 ILE A 110 -2.340 -1.994 -1.686 1.00 0.21 C ATOM 1650 CD1 ILE A 110 -1.764 -4.617 -1.918 1.00 0.60 C ATOM 0 H ILE A 110 -2.286 -1.932 -5.766 1.00 0.25 H new ATOM 0 HA ILE A 110 -4.319 -2.391 -3.675 1.00 0.21 H new ATOM 0 HB ILE A 110 -1.304 -2.012 -3.530 1.00 0.23 H new ATOM 0 HG12 ILE A 110 -3.137 -4.346 -3.526 1.00 0.38 H new ATOM 0 HG13 ILE A 110 -1.451 -4.250 -3.995 1.00 0.38 H new ATOM 0 HG21 ILE A 110 -1.498 -2.388 -1.117 1.00 0.21 H new ATOM 0 HG22 ILE A 110 -2.333 -0.905 -1.637 1.00 0.21 H new ATOM 0 HG23 ILE A 110 -3.271 -2.370 -1.263 1.00 0.21 H new ATOM 0 HD11 ILE A 110 -1.738 -5.699 -2.046 1.00 0.60 H new ATOM 0 HD12 ILE A 110 -0.777 -4.263 -1.621 1.00 0.60 H new ATOM 0 HD13 ILE A 110 -2.489 -4.360 -1.145 1.00 0.60 H new ATOM 1662 N ILE A 111 -4.121 -0.059 -2.645 1.00 0.18 N ATOM 1663 CA ILE A 111 -4.402 1.306 -2.252 1.00 0.18 C ATOM 1664 C ILE A 111 -4.080 1.410 -0.796 1.00 0.16 C ATOM 1665 O ILE A 111 -4.917 1.208 0.077 1.00 0.18 O ATOM 1666 CB ILE A 111 -5.877 1.728 -2.502 1.00 0.25 C ATOM 1667 CG1 ILE A 111 -6.160 1.848 -3.996 1.00 0.32 C ATOM 1668 CG2 ILE A 111 -6.193 3.054 -1.810 1.00 0.27 C ATOM 1669 CD1 ILE A 111 -5.537 3.069 -4.624 1.00 0.37 C ATOM 0 H ILE A 111 -4.375 -0.743 -1.932 1.00 0.18 H new ATOM 0 HA ILE A 111 -3.798 1.980 -2.859 1.00 0.18 H new ATOM 0 HB ILE A 111 -6.517 0.952 -2.081 1.00 0.25 H new ATOM 0 HG12 ILE A 111 -5.788 0.957 -4.502 1.00 0.32 H new ATOM 0 HG13 ILE A 111 -7.238 1.877 -4.154 1.00 0.32 H new ATOM 0 HG21 ILE A 111 -7.231 3.326 -2.001 1.00 0.27 H new ATOM 0 HG22 ILE A 111 -6.037 2.950 -0.736 1.00 0.27 H new ATOM 0 HG23 ILE A 111 -5.537 3.833 -2.199 1.00 0.27 H new ATOM 0 HD11 ILE A 111 -5.777 3.094 -5.687 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -5.928 3.965 -4.143 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -4.455 3.032 -4.497 1.00 0.37 H new ATOM 1681 N VAL A 112 -2.831 1.651 -0.541 1.00 0.16 N ATOM 1682 CA VAL A 112 -2.365 1.701 0.794 1.00 0.18 C ATOM 1683 C VAL A 112 -2.780 2.994 1.429 1.00 0.20 C ATOM 1684 O VAL A 112 -2.963 4.009 0.764 1.00 0.22 O ATOM 1685 CB VAL A 112 -0.853 1.551 0.853 1.00 0.19 C ATOM 1686 CG1 VAL A 112 -0.387 1.607 2.255 1.00 0.26 C ATOM 1687 CG2 VAL A 112 -0.436 0.245 0.258 1.00 0.19 C ATOM 0 H VAL A 112 -2.118 1.816 -1.251 1.00 0.16 H new ATOM 0 HA VAL A 112 -2.808 0.870 1.343 1.00 0.18 H new ATOM 0 HB VAL A 112 -0.409 2.369 0.286 1.00 0.19 H new ATOM 0 HG11 VAL A 112 0.697 1.498 2.283 1.00 0.26 H new ATOM 0 HG12 VAL A 112 -0.667 2.565 2.694 1.00 0.26 H new ATOM 0 HG13 VAL A 112 -0.847 0.799 2.824 1.00 0.26 H new ATOM 0 HG21 VAL A 112 0.649 0.152 0.308 1.00 0.19 H new ATOM 0 HG22 VAL A 112 -0.896 -0.572 0.815 1.00 0.19 H new ATOM 0 HG23 VAL A 112 -0.757 0.200 -0.783 1.00 0.19 H new ATOM 1697 N ALA A 113 -2.925 2.940 2.711 1.00 0.21 N ATOM 1698 CA ALA A 113 -3.347 4.072 3.469 1.00 0.24 C ATOM 1699 C ALA A 113 -2.635 4.090 4.795 1.00 0.25 C ATOM 1700 O ALA A 113 -2.957 3.335 5.713 1.00 0.28 O ATOM 1701 CB ALA A 113 -4.852 4.062 3.625 1.00 0.29 C ATOM 0 H ALA A 113 -2.753 2.103 3.267 1.00 0.21 H new ATOM 0 HA ALA A 113 -3.084 4.989 2.942 1.00 0.24 H new ATOM 0 HB1 ALA A 113 -5.163 4.931 4.205 1.00 0.29 H new ATOM 0 HB2 ALA A 113 -5.320 4.096 2.641 1.00 0.29 H new ATOM 0 HB3 ALA A 113 -5.158 3.152 4.141 1.00 0.29 H new ATOM 1707 N ILE A 114 -1.631 4.937 4.854 1.00 0.24 N ATOM 1708 CA ILE A 114 -0.851 5.118 6.042 1.00 0.27 C ATOM 1709 C ILE A 114 -1.712 5.784 7.091 1.00 0.30 C ATOM 1710 O ILE A 114 -2.398 6.737 6.795 1.00 0.50 O ATOM 1711 CB ILE A 114 0.392 5.986 5.756 1.00 0.33 C ATOM 1712 CG1 ILE A 114 1.402 5.224 4.897 1.00 0.38 C ATOM 1713 CG2 ILE A 114 1.037 6.438 7.039 1.00 0.44 C ATOM 1714 CD1 ILE A 114 1.094 5.243 3.414 1.00 0.59 C ATOM 0 H ILE A 114 -1.337 5.520 4.070 1.00 0.24 H new ATOM 0 HA ILE A 114 -0.509 4.146 6.398 1.00 0.27 H new ATOM 0 HB ILE A 114 0.064 6.867 5.205 1.00 0.33 H new ATOM 0 HG12 ILE A 114 2.393 5.650 5.057 1.00 0.38 H new ATOM 0 HG13 ILE A 114 1.442 4.189 5.235 1.00 0.38 H new ATOM 0 HG21 ILE A 114 1.911 7.048 6.812 1.00 0.44 H new ATOM 0 HG22 ILE A 114 0.324 7.026 7.617 1.00 0.44 H new ATOM 0 HG23 ILE A 114 1.343 5.567 7.619 1.00 0.44 H new ATOM 0 HD11 ILE A 114 1.858 4.681 2.877 1.00 0.59 H new ATOM 0 HD12 ILE A 114 0.119 4.789 3.239 1.00 0.59 H new ATOM 0 HD13 ILE A 114 1.084 6.273 3.058 1.00 0.59 H new ATOM 1726 N ASN A 115 -1.681 5.281 8.299 1.00 0.19 N ATOM 1727 CA ASN A 115 -2.488 5.823 9.376 1.00 0.22 C ATOM 1728 C ASN A 115 -1.553 6.261 10.446 1.00 0.20 C ATOM 1729 O ASN A 115 -0.362 5.942 10.394 1.00 0.22 O ATOM 1730 CB ASN A 115 -3.459 4.767 9.902 1.00 0.33 C ATOM 1731 CG ASN A 115 -4.466 5.371 10.850 1.00 0.84 C ATOM 1732 OD1 ASN A 115 -4.818 6.542 10.724 1.00 1.85 O ATOM 1733 ND2 ASN A 115 -4.928 4.591 11.805 1.00 0.56 N ATOM 0 H ASN A 115 -1.100 4.487 8.569 1.00 0.19 H new ATOM 0 HA ASN A 115 -3.087 6.663 9.025 1.00 0.22 H new ATOM 0 HB2 ASN A 115 -3.979 4.299 9.066 1.00 0.33 H new ATOM 0 HB3 ASN A 115 -2.903 3.980 10.412 1.00 0.33 H new ATOM 0 HD21 ASN A 115 -5.605 4.953 12.477 1.00 0.56 H new ATOM 0 HD22 ASN A 115 -4.609 3.625 11.873 1.00 0.56 H new ATOM 1740 N LYS A 116 -2.072 7.015 11.378 1.00 0.19 N ATOM 1741 CA LYS A 116 -1.291 7.467 12.481 1.00 0.20 C ATOM 1742 C LYS A 116 -0.228 8.470 12.045 1.00 0.21 C ATOM 1743 O LYS A 116 0.850 8.551 12.628 1.00 0.26 O ATOM 1744 CB LYS A 116 -0.697 6.249 13.182 1.00 0.25 C ATOM 1745 CG LYS A 116 -1.686 5.582 14.116 1.00 0.32 C ATOM 1746 CD LYS A 116 -1.034 4.520 14.985 1.00 0.40 C ATOM 1747 CE LYS A 116 -2.071 3.711 15.747 1.00 0.51 C ATOM 1748 NZ LYS A 116 -1.453 2.636 16.565 1.00 0.59 N ATOM 0 H LYS A 116 -3.043 7.328 11.388 1.00 0.19 H new ATOM 0 HA LYS A 116 -1.924 8.005 13.187 1.00 0.20 H new ATOM 0 HB2 LYS A 116 -0.365 5.529 12.434 1.00 0.25 H new ATOM 0 HB3 LYS A 116 0.185 6.552 13.747 1.00 0.25 H new ATOM 0 HG2 LYS A 116 -2.146 6.337 14.753 1.00 0.32 H new ATOM 0 HG3 LYS A 116 -2.486 5.128 13.531 1.00 0.32 H new ATOM 0 HD2 LYS A 116 -0.437 3.854 14.362 1.00 0.40 H new ATOM 0 HD3 LYS A 116 -0.351 4.994 15.690 1.00 0.40 H new ATOM 0 HE2 LYS A 116 -2.643 4.375 16.395 1.00 0.51 H new ATOM 0 HE3 LYS A 116 -2.775 3.269 15.042 1.00 0.51 H new ATOM 0 HZ1 LYS A 116 -2.045 1.782 16.521 1.00 0.59 H new ATOM 0 HZ2 LYS A 116 -0.506 2.419 16.195 1.00 0.59 H new ATOM 0 HZ3 LYS A 116 -1.375 2.953 17.553 1.00 0.59 H new ATOM 1762 N MET A 117 -0.556 9.237 11.008 1.00 0.21 N ATOM 1763 CA MET A 117 0.262 10.371 10.599 1.00 0.28 C ATOM 1764 C MET A 117 -0.053 11.565 11.484 1.00 0.29 C ATOM 1765 O MET A 117 0.589 12.611 11.403 1.00 0.37 O ATOM 1766 CB MET A 117 0.014 10.708 9.133 1.00 0.38 C ATOM 1767 CG MET A 117 0.497 9.625 8.186 1.00 0.48 C ATOM 1768 SD MET A 117 2.282 9.614 7.980 1.00 0.77 S ATOM 1769 CE MET A 117 2.481 11.091 7.001 1.00 0.92 C ATOM 0 H MET A 117 -1.387 9.091 10.435 1.00 0.21 H new ATOM 0 HA MET A 117 1.315 10.113 10.710 1.00 0.28 H new ATOM 0 HB2 MET A 117 -1.053 10.869 8.978 1.00 0.38 H new ATOM 0 HB3 MET A 117 0.516 11.645 8.891 1.00 0.38 H new ATOM 0 HG2 MET A 117 0.174 8.653 8.560 1.00 0.48 H new ATOM 0 HG3 MET A 117 0.026 9.765 7.213 1.00 0.48 H new ATOM 0 HE1 MET A 117 2.790 10.820 5.992 1.00 0.92 H new ATOM 0 HE2 MET A 117 1.534 11.630 6.958 1.00 0.92 H new ATOM 0 HE3 MET A 117 3.241 11.728 7.454 1.00 0.92 H new ATOM 1779 N ASP A 118 -1.074 11.393 12.321 1.00 0.27 N ATOM 1780 CA ASP A 118 -1.372 12.348 13.389 1.00 0.34 C ATOM 1781 C ASP A 118 -0.232 12.332 14.382 1.00 0.33 C ATOM 1782 O ASP A 118 0.111 13.341 14.997 1.00 0.47 O ATOM 1783 CB ASP A 118 -2.671 11.974 14.117 1.00 0.39 C ATOM 1784 CG ASP A 118 -2.612 10.602 14.767 1.00 0.55 C ATOM 1785 OD1 ASP A 118 -2.759 9.595 14.036 1.00 0.67 O ATOM 1786 OD2 ASP A 118 -2.437 10.522 16.004 1.00 0.76 O ATOM 0 H ASP A 118 -1.712 10.598 12.281 1.00 0.27 H new ATOM 0 HA ASP A 118 -1.494 13.339 12.951 1.00 0.34 H new ATOM 0 HB2 ASP A 118 -2.882 12.723 14.880 1.00 0.39 H new ATOM 0 HB3 ASP A 118 -3.499 11.999 13.408 1.00 0.39 H new ATOM 1791 N LYS A 119 0.346 11.160 14.508 1.00 0.23 N ATOM 1792 CA LYS A 119 1.463 10.929 15.398 1.00 0.26 C ATOM 1793 C LYS A 119 2.750 11.461 14.794 1.00 0.28 C ATOM 1794 O LYS A 119 3.054 11.192 13.638 1.00 0.26 O ATOM 1795 CB LYS A 119 1.605 9.430 15.659 1.00 0.29 C ATOM 1796 CG LYS A 119 0.421 8.827 16.382 1.00 0.36 C ATOM 1797 CD LYS A 119 0.560 7.320 16.552 1.00 0.72 C ATOM 1798 CE LYS A 119 1.837 6.929 17.284 1.00 0.87 C ATOM 1799 NZ LYS A 119 1.947 7.571 18.621 1.00 1.17 N ATOM 0 H LYS A 119 0.052 10.331 13.991 1.00 0.23 H new ATOM 0 HA LYS A 119 1.275 11.453 16.335 1.00 0.26 H new ATOM 0 HB2 LYS A 119 1.740 8.915 14.708 1.00 0.29 H new ATOM 0 HB3 LYS A 119 2.506 9.256 16.247 1.00 0.29 H new ATOM 0 HG2 LYS A 119 0.319 9.294 17.362 1.00 0.36 H new ATOM 0 HG3 LYS A 119 -0.492 9.046 15.828 1.00 0.36 H new ATOM 0 HD2 LYS A 119 -0.301 6.939 17.102 1.00 0.72 H new ATOM 0 HD3 LYS A 119 0.548 6.845 15.571 1.00 0.72 H new ATOM 0 HE2 LYS A 119 1.867 5.846 17.401 1.00 0.87 H new ATOM 0 HE3 LYS A 119 2.699 7.208 16.678 1.00 0.87 H new ATOM 0 HZ1 LYS A 119 2.284 6.873 19.314 1.00 1.17 H new ATOM 0 HZ2 LYS A 119 2.619 8.363 18.572 1.00 1.17 H new ATOM 0 HZ3 LYS A 119 1.014 7.926 18.913 1.00 1.17 H new ATOM 1813 N PRO A 120 3.528 12.230 15.567 1.00 0.38 N ATOM 1814 CA PRO A 120 4.851 12.701 15.136 1.00 0.45 C ATOM 1815 C PRO A 120 5.801 11.534 14.878 1.00 0.40 C ATOM 1816 O PRO A 120 6.813 11.672 14.189 1.00 0.45 O ATOM 1817 CB PRO A 120 5.343 13.552 16.311 1.00 0.57 C ATOM 1818 CG PRO A 120 4.497 13.152 17.474 1.00 0.58 C ATOM 1819 CD PRO A 120 3.176 12.721 16.907 1.00 0.48 C ATOM 0 HA PRO A 120 4.806 13.257 14.200 1.00 0.45 H new ATOM 0 HB2 PRO A 120 6.399 13.370 16.513 1.00 0.57 H new ATOM 0 HB3 PRO A 120 5.238 14.616 16.097 1.00 0.57 H new ATOM 0 HG2 PRO A 120 4.963 12.341 18.033 1.00 0.58 H new ATOM 0 HG3 PRO A 120 4.370 13.984 18.166 1.00 0.58 H new ATOM 0 HD2 PRO A 120 2.713 11.942 17.512 1.00 0.48 H new ATOM 0 HD3 PRO A 120 2.469 13.549 16.859 1.00 0.48 H new ATOM 1827 N GLU A 121 5.439 10.375 15.425 1.00 0.35 N ATOM 1828 CA GLU A 121 6.199 9.144 15.243 1.00 0.37 C ATOM 1829 C GLU A 121 6.097 8.666 13.802 1.00 0.30 C ATOM 1830 O GLU A 121 6.928 7.893 13.332 1.00 0.37 O ATOM 1831 CB GLU A 121 5.664 8.042 16.158 1.00 0.48 C ATOM 1832 CG GLU A 121 5.814 8.313 17.644 1.00 0.62 C ATOM 1833 CD GLU A 121 4.991 9.483 18.142 1.00 1.04 C ATOM 1834 OE1 GLU A 121 3.775 9.519 17.868 1.00 1.45 O ATOM 1835 OE2 GLU A 121 5.558 10.373 18.805 1.00 1.40 O ATOM 0 H GLU A 121 4.609 10.265 16.007 1.00 0.35 H new ATOM 0 HA GLU A 121 7.239 9.355 15.491 1.00 0.37 H new ATOM 0 HB2 GLU A 121 4.608 7.888 15.937 1.00 0.48 H new ATOM 0 HB3 GLU A 121 6.179 7.111 15.920 1.00 0.48 H new ATOM 0 HG2 GLU A 121 5.527 7.419 18.197 1.00 0.62 H new ATOM 0 HG3 GLU A 121 6.865 8.501 17.865 1.00 0.62 H new ATOM 1842 N ALA A 122 5.039 9.124 13.142 1.00 0.24 N ATOM 1843 CA ALA A 122 4.747 8.777 11.746 1.00 0.22 C ATOM 1844 C ALA A 122 5.993 8.761 10.874 1.00 0.21 C ATOM 1845 O ALA A 122 6.727 9.748 10.785 1.00 0.26 O ATOM 1846 CB ALA A 122 3.735 9.746 11.161 1.00 0.27 C ATOM 0 H ALA A 122 4.352 9.752 13.559 1.00 0.24 H new ATOM 0 HA ALA A 122 4.336 7.767 11.755 1.00 0.22 H new ATOM 0 HB1 ALA A 122 3.529 9.476 10.125 1.00 0.27 H new ATOM 0 HB2 ALA A 122 2.812 9.701 11.739 1.00 0.27 H new ATOM 0 HB3 ALA A 122 4.137 10.758 11.198 1.00 0.27 H new ATOM 1852 N ASN A 123 6.218 7.624 10.240 1.00 0.21 N ATOM 1853 CA ASN A 123 7.279 7.480 9.265 1.00 0.23 C ATOM 1854 C ASN A 123 6.682 6.877 8.011 1.00 0.23 C ATOM 1855 O ASN A 123 6.852 5.689 7.730 1.00 0.25 O ATOM 1856 CB ASN A 123 8.367 6.557 9.796 1.00 0.26 C ATOM 1857 CG ASN A 123 9.741 6.900 9.324 1.00 0.42 C ATOM 1858 OD1 ASN A 123 9.827 7.517 8.186 1.00 0.95 O flip ATOM 1859 ND2 ASN A 123 10.730 6.610 9.995 1.00 0.52 N flip ATOM 0 H ASN A 123 5.670 6.777 10.388 1.00 0.21 H new ATOM 0 HA ASN A 123 7.722 8.454 9.056 1.00 0.23 H new ATOM 0 HB2 ASN A 123 8.351 6.584 10.886 1.00 0.26 H new ATOM 0 HB3 ASN A 123 8.137 5.534 9.499 1.00 0.26 H new ATOM 0 HD21 ASN A 123 10.618 6.124 10.885 1.00 0.52 H new ATOM 0 HD22 ASN A 123 11.662 6.855 9.662 1.00 0.52 H new ATOM 1866 N PRO A 124 5.964 7.695 7.248 1.00 0.25 N ATOM 1867 CA PRO A 124 5.220 7.236 6.076 1.00 0.32 C ATOM 1868 C PRO A 124 6.101 6.628 5.014 1.00 0.33 C ATOM 1869 O PRO A 124 5.957 5.459 4.683 1.00 0.35 O ATOM 1870 CB PRO A 124 4.568 8.505 5.564 1.00 0.40 C ATOM 1871 CG PRO A 124 5.389 9.617 6.114 1.00 0.32 C ATOM 1872 CD PRO A 124 5.806 9.140 7.466 1.00 0.27 C ATOM 0 HA PRO A 124 4.517 6.443 6.331 1.00 0.32 H new ATOM 0 HB2 PRO A 124 4.554 8.528 4.474 1.00 0.40 H new ATOM 0 HB3 PRO A 124 3.533 8.578 5.898 1.00 0.40 H new ATOM 0 HG2 PRO A 124 6.253 9.823 5.482 1.00 0.32 H new ATOM 0 HG3 PRO A 124 4.814 10.541 6.179 1.00 0.32 H new ATOM 0 HD2 PRO A 124 6.735 9.607 7.794 1.00 0.27 H new ATOM 0 HD3 PRO A 124 5.054 9.358 8.225 1.00 0.27 H new ATOM 1880 N ASP A 125 7.024 7.428 4.509 1.00 0.37 N ATOM 1881 CA ASP A 125 7.976 6.989 3.487 1.00 0.44 C ATOM 1882 C ASP A 125 8.628 5.676 3.887 1.00 0.34 C ATOM 1883 O ASP A 125 9.009 4.875 3.040 1.00 0.33 O ATOM 1884 CB ASP A 125 9.064 8.040 3.278 1.00 0.61 C ATOM 1885 CG ASP A 125 8.515 9.374 2.829 1.00 0.99 C ATOM 1886 OD1 ASP A 125 8.011 10.138 3.680 1.00 1.44 O ATOM 1887 OD2 ASP A 125 8.575 9.663 1.615 1.00 1.13 O ATOM 0 H ASP A 125 7.140 8.401 4.792 1.00 0.37 H new ATOM 0 HA ASP A 125 7.423 6.849 2.558 1.00 0.44 H new ATOM 0 HB2 ASP A 125 9.616 8.175 4.208 1.00 0.61 H new ATOM 0 HB3 ASP A 125 9.775 7.677 2.536 1.00 0.61 H new ATOM 1892 N ARG A 126 8.715 5.449 5.193 1.00 0.31 N ATOM 1893 CA ARG A 126 9.361 4.250 5.703 1.00 0.31 C ATOM 1894 C ARG A 126 8.434 3.061 5.561 1.00 0.27 C ATOM 1895 O ARG A 126 8.797 2.036 4.993 1.00 0.30 O ATOM 1896 CB ARG A 126 9.743 4.415 7.168 1.00 0.35 C ATOM 1897 CG ARG A 126 10.420 3.187 7.759 1.00 0.51 C ATOM 1898 CD ARG A 126 10.523 3.274 9.270 1.00 1.24 C ATOM 1899 NE ARG A 126 9.207 3.320 9.910 1.00 1.92 N ATOM 1900 CZ ARG A 126 9.012 3.184 11.222 1.00 2.94 C ATOM 1901 NH1 ARG A 126 10.043 2.983 12.031 1.00 3.49 N ATOM 1902 NH2 ARG A 126 7.784 3.251 11.725 1.00 3.79 N ATOM 0 H ARG A 126 8.349 6.075 5.911 1.00 0.31 H new ATOM 0 HA ARG A 126 10.267 4.084 5.121 1.00 0.31 H new ATOM 0 HB2 ARG A 126 10.410 5.271 7.267 1.00 0.35 H new ATOM 0 HB3 ARG A 126 8.847 4.640 7.746 1.00 0.35 H new ATOM 0 HG2 ARG A 126 9.858 2.294 7.484 1.00 0.51 H new ATOM 0 HG3 ARG A 126 11.417 3.081 7.332 1.00 0.51 H new ATOM 0 HD2 ARG A 126 11.078 2.414 9.645 1.00 1.24 H new ATOM 0 HD3 ARG A 126 11.090 4.164 9.544 1.00 1.24 H new ATOM 0 HE ARG A 126 8.390 3.465 9.316 1.00 1.92 H new ATOM 0 HH11 ARG A 126 10.988 2.932 11.650 1.00 3.49 H new ATOM 0 HH12 ARG A 126 9.891 2.879 13.034 1.00 3.49 H new ATOM 0 HH21 ARG A 126 6.988 3.407 11.107 1.00 3.79 H new ATOM 0 HH22 ARG A 126 7.638 3.147 12.729 1.00 3.79 H new ATOM 1916 N VAL A 127 7.234 3.208 6.083 1.00 0.25 N ATOM 1917 CA VAL A 127 6.245 2.141 6.019 1.00 0.28 C ATOM 1918 C VAL A 127 5.823 1.824 4.572 1.00 0.28 C ATOM 1919 O VAL A 127 5.349 0.723 4.283 1.00 0.33 O ATOM 1920 CB VAL A 127 5.031 2.448 6.926 1.00 0.36 C ATOM 1921 CG1 VAL A 127 5.525 2.681 8.335 1.00 0.59 C ATOM 1922 CG2 VAL A 127 4.218 3.647 6.456 1.00 0.44 C ATOM 0 H VAL A 127 6.916 4.053 6.557 1.00 0.25 H new ATOM 0 HA VAL A 127 6.718 1.238 6.404 1.00 0.28 H new ATOM 0 HB VAL A 127 4.362 1.589 6.883 1.00 0.36 H new ATOM 0 HG11 VAL A 127 4.678 2.899 8.986 1.00 0.59 H new ATOM 0 HG12 VAL A 127 6.038 1.788 8.693 1.00 0.59 H new ATOM 0 HG13 VAL A 127 6.216 3.524 8.344 1.00 0.59 H new ATOM 0 HG21 VAL A 127 3.381 3.808 7.136 1.00 0.44 H new ATOM 0 HG22 VAL A 127 4.852 4.534 6.444 1.00 0.44 H new ATOM 0 HG23 VAL A 127 3.838 3.458 5.452 1.00 0.44 H new ATOM 1932 N MET A 128 6.041 2.769 3.655 1.00 0.27 N ATOM 1933 CA MET A 128 5.841 2.504 2.224 1.00 0.31 C ATOM 1934 C MET A 128 6.942 1.585 1.730 1.00 0.26 C ATOM 1935 O MET A 128 6.727 0.715 0.886 1.00 0.35 O ATOM 1936 CB MET A 128 5.873 3.800 1.410 1.00 0.52 C ATOM 1937 CG MET A 128 5.094 4.925 2.046 1.00 0.81 C ATOM 1938 SD MET A 128 5.292 6.514 1.203 1.00 0.67 S ATOM 1939 CE MET A 128 4.338 6.259 -0.295 1.00 0.46 C ATOM 0 H MET A 128 6.353 3.716 3.872 1.00 0.27 H new ATOM 0 HA MET A 128 4.864 2.038 2.095 1.00 0.31 H new ATOM 0 HB2 MET A 128 6.909 4.113 1.280 1.00 0.52 H new ATOM 0 HB3 MET A 128 5.471 3.606 0.416 1.00 0.52 H new ATOM 0 HG2 MET A 128 4.037 4.660 2.060 1.00 0.81 H new ATOM 0 HG3 MET A 128 5.410 5.032 3.084 1.00 0.81 H new ATOM 0 HE1 MET A 128 4.941 6.530 -1.161 1.00 0.46 H new ATOM 0 HE2 MET A 128 4.049 5.211 -0.368 1.00 0.46 H new ATOM 0 HE3 MET A 128 3.443 6.881 -0.267 1.00 0.46 H new ATOM 1949 N GLN A 129 8.127 1.789 2.289 1.00 0.24 N ATOM 1950 CA GLN A 129 9.303 0.987 1.941 1.00 0.27 C ATOM 1951 C GLN A 129 9.130 -0.458 2.392 1.00 0.30 C ATOM 1952 O GLN A 129 9.585 -1.386 1.725 1.00 0.33 O ATOM 1953 CB GLN A 129 10.570 1.580 2.558 1.00 0.32 C ATOM 1954 CG GLN A 129 11.105 2.794 1.819 1.00 0.42 C ATOM 1955 CD GLN A 129 12.233 3.480 2.570 1.00 0.54 C ATOM 1956 OE1 GLN A 129 12.008 4.394 3.365 1.00 1.17 O ATOM 1957 NE2 GLN A 129 13.454 3.031 2.339 1.00 1.31 N ATOM 0 H GLN A 129 8.305 2.507 2.991 1.00 0.24 H new ATOM 0 HA GLN A 129 9.404 1.002 0.856 1.00 0.27 H new ATOM 0 HB2 GLN A 129 10.363 1.858 3.591 1.00 0.32 H new ATOM 0 HB3 GLN A 129 11.343 0.812 2.583 1.00 0.32 H new ATOM 0 HG2 GLN A 129 11.461 2.489 0.835 1.00 0.42 H new ATOM 0 HG3 GLN A 129 10.294 3.505 1.659 1.00 0.42 H new ATOM 0 HE21 GLN A 129 13.601 2.272 1.673 1.00 1.31 H new ATOM 0 HE22 GLN A 129 14.250 3.443 2.826 1.00 1.31 H new ATOM 1966 N GLU A 130 8.469 -0.644 3.526 1.00 0.37 N ATOM 1967 CA GLU A 130 8.165 -1.980 4.031 1.00 0.43 C ATOM 1968 C GLU A 130 7.368 -2.752 2.997 1.00 0.36 C ATOM 1969 O GLU A 130 7.698 -3.885 2.630 1.00 0.35 O ATOM 1970 CB GLU A 130 7.344 -1.883 5.310 1.00 0.61 C ATOM 1971 CG GLU A 130 7.865 -0.851 6.281 1.00 0.63 C ATOM 1972 CD GLU A 130 9.258 -1.171 6.780 1.00 1.04 C ATOM 1973 OE1 GLU A 130 9.419 -2.195 7.472 1.00 1.63 O ATOM 1974 OE2 GLU A 130 10.191 -0.400 6.495 1.00 1.64 O ATOM 0 H GLU A 130 8.131 0.115 4.117 1.00 0.37 H new ATOM 0 HA GLU A 130 9.104 -2.495 4.237 1.00 0.43 H new ATOM 0 HB2 GLU A 130 6.313 -1.641 5.053 1.00 0.61 H new ATOM 0 HB3 GLU A 130 7.331 -2.857 5.799 1.00 0.61 H new ATOM 0 HG2 GLU A 130 7.872 0.126 5.798 1.00 0.63 H new ATOM 0 HG3 GLU A 130 7.186 -0.782 7.131 1.00 0.63 H new ATOM 1981 N LEU A 131 6.317 -2.113 2.510 1.00 0.36 N ATOM 1982 CA LEU A 131 5.449 -2.738 1.542 1.00 0.37 C ATOM 1983 C LEU A 131 6.186 -2.999 0.243 1.00 0.29 C ATOM 1984 O LEU A 131 5.951 -4.011 -0.406 1.00 0.32 O ATOM 1985 CB LEU A 131 4.219 -1.877 1.301 1.00 0.49 C ATOM 1986 CG LEU A 131 3.065 -2.098 2.282 1.00 0.71 C ATOM 1987 CD1 LEU A 131 3.496 -1.874 3.714 1.00 1.36 C ATOM 1988 CD2 LEU A 131 1.938 -1.162 1.958 1.00 1.18 C ATOM 0 H LEU A 131 6.050 -1.164 2.772 1.00 0.36 H new ATOM 0 HA LEU A 131 5.125 -3.699 1.942 1.00 0.37 H new ATOM 0 HB2 LEU A 131 4.515 -0.829 1.344 1.00 0.49 H new ATOM 0 HB3 LEU A 131 3.856 -2.065 0.290 1.00 0.49 H new ATOM 0 HG LEU A 131 2.740 -3.133 2.180 1.00 0.71 H new ATOM 0 HD11 LEU A 131 2.649 -2.041 4.379 1.00 1.36 H new ATOM 0 HD12 LEU A 131 4.297 -2.569 3.966 1.00 1.36 H new ATOM 0 HD13 LEU A 131 3.853 -0.851 3.831 1.00 1.36 H new ATOM 0 HD21 LEU A 131 1.119 -1.323 2.659 1.00 1.18 H new ATOM 0 HD22 LEU A 131 2.286 -0.132 2.037 1.00 1.18 H new ATOM 0 HD23 LEU A 131 1.589 -1.350 0.943 1.00 1.18 H new ATOM 2000 N MET A 132 7.110 -2.116 -0.121 1.00 0.25 N ATOM 2001 CA MET A 132 7.829 -2.291 -1.373 1.00 0.26 C ATOM 2002 C MET A 132 8.836 -3.430 -1.260 1.00 0.30 C ATOM 2003 O MET A 132 9.383 -3.883 -2.261 1.00 0.37 O ATOM 2004 CB MET A 132 8.531 -1.013 -1.838 1.00 0.32 C ATOM 2005 CG MET A 132 9.860 -0.745 -1.151 1.00 0.88 C ATOM 2006 SD MET A 132 10.726 0.683 -1.833 1.00 1.60 S ATOM 2007 CE MET A 132 10.774 0.253 -3.570 1.00 1.61 C ATOM 0 H MET A 132 7.373 -1.292 0.419 1.00 0.25 H new ATOM 0 HA MET A 132 7.082 -2.540 -2.127 1.00 0.26 H new ATOM 0 HB2 MET A 132 8.697 -1.074 -2.914 1.00 0.32 H new ATOM 0 HB3 MET A 132 7.868 -0.165 -1.665 1.00 0.32 H new ATOM 0 HG2 MET A 132 9.688 -0.585 -0.087 1.00 0.88 H new ATOM 0 HG3 MET A 132 10.495 -1.626 -1.242 1.00 0.88 H new ATOM 0 HE1 MET A 132 11.614 0.758 -4.047 1.00 1.61 H new ATOM 0 HE2 MET A 132 10.892 -0.826 -3.675 1.00 1.61 H new ATOM 0 HE3 MET A 132 9.845 0.564 -4.048 1.00 1.61 H new ATOM 2017 N GLU A 133 9.064 -3.901 -0.040 1.00 0.32 N ATOM 2018 CA GLU A 133 9.902 -5.066 0.163 1.00 0.40 C ATOM 2019 C GLU A 133 9.083 -6.305 -0.133 1.00 0.38 C ATOM 2020 O GLU A 133 9.606 -7.331 -0.559 1.00 0.45 O ATOM 2021 CB GLU A 133 10.466 -5.105 1.577 1.00 0.54 C ATOM 2022 CG GLU A 133 11.473 -4.006 1.853 1.00 0.79 C ATOM 2023 CD GLU A 133 12.278 -4.255 3.108 1.00 1.07 C ATOM 2024 OE1 GLU A 133 13.121 -5.173 3.110 1.00 1.67 O ATOM 2025 OE2 GLU A 133 12.072 -3.527 4.104 1.00 1.53 O ATOM 0 H GLU A 133 8.682 -3.495 0.814 1.00 0.32 H new ATOM 0 HA GLU A 133 10.756 -5.020 -0.513 1.00 0.40 H new ATOM 0 HB2 GLU A 133 9.646 -5.024 2.290 1.00 0.54 H new ATOM 0 HB3 GLU A 133 10.939 -6.072 1.745 1.00 0.54 H new ATOM 0 HG2 GLU A 133 12.150 -3.917 1.003 1.00 0.79 H new ATOM 0 HG3 GLU A 133 10.950 -3.054 1.944 1.00 0.79 H new ATOM 2032 N TYR A 134 7.781 -6.185 0.082 1.00 0.35 N ATOM 2033 CA TYR A 134 6.833 -7.177 -0.396 1.00 0.40 C ATOM 2034 C TYR A 134 6.361 -6.794 -1.802 1.00 0.41 C ATOM 2035 O TYR A 134 5.289 -7.199 -2.261 1.00 0.50 O ATOM 2036 CB TYR A 134 5.672 -7.291 0.576 1.00 0.46 C ATOM 2037 CG TYR A 134 6.102 -7.754 1.952 1.00 0.55 C ATOM 2038 CD1 TYR A 134 6.764 -8.963 2.134 1.00 0.98 C ATOM 2039 CD2 TYR A 134 5.829 -6.986 3.078 1.00 0.88 C ATOM 2040 CE1 TYR A 134 7.139 -9.391 3.392 1.00 1.08 C ATOM 2041 CE2 TYR A 134 6.198 -7.410 4.339 1.00 0.95 C ATOM 2042 CZ TYR A 134 6.929 -8.596 4.474 1.00 0.80 C ATOM 2043 OH TYR A 134 7.223 -9.045 5.746 1.00 0.95 O ATOM 0 H TYR A 134 7.357 -5.407 0.587 1.00 0.35 H new ATOM 0 HA TYR A 134 7.312 -8.154 -0.454 1.00 0.40 H new ATOM 0 HB2 TYR A 134 5.179 -6.323 0.661 1.00 0.46 H new ATOM 0 HB3 TYR A 134 4.937 -7.989 0.176 1.00 0.46 H new ATOM 0 HD1 TYR A 134 6.989 -9.579 1.276 1.00 0.98 H new ATOM 0 HD2 TYR A 134 5.319 -6.041 2.964 1.00 0.88 H new ATOM 0 HE1 TYR A 134 7.600 -10.360 3.516 1.00 1.08 H new ATOM 0 HE2 TYR A 134 5.926 -6.834 5.211 1.00 0.95 H new ATOM 0 HH TYR A 134 7.011 -8.344 6.397 1.00 0.95 H new ATOM 2053 N ASN A 135 7.209 -6.002 -2.463 1.00 0.36 N ATOM 2054 CA ASN A 135 6.989 -5.495 -3.815 1.00 0.43 C ATOM 2055 C ASN A 135 5.633 -4.812 -3.948 1.00 0.48 C ATOM 2056 O ASN A 135 4.804 -5.173 -4.781 1.00 0.64 O ATOM 2057 CB ASN A 135 7.153 -6.609 -4.850 1.00 0.58 C ATOM 2058 CG ASN A 135 7.247 -6.082 -6.264 1.00 0.71 C ATOM 2059 OD1 ASN A 135 7.680 -4.950 -6.499 1.00 0.89 O ATOM 2060 ND2 ASN A 135 6.865 -6.906 -7.219 1.00 1.10 N ATOM 0 H ASN A 135 8.092 -5.688 -2.059 1.00 0.36 H new ATOM 0 HA ASN A 135 7.750 -4.739 -4.010 1.00 0.43 H new ATOM 0 HB2 ASN A 135 8.050 -7.184 -4.620 1.00 0.58 H new ATOM 0 HB3 ASN A 135 6.308 -7.294 -4.777 1.00 0.58 H new ATOM 0 HD21 ASN A 135 6.921 -6.616 -8.195 1.00 1.10 H new ATOM 0 HD22 ASN A 135 6.513 -7.833 -6.982 1.00 1.10 H new ATOM 2067 N LEU A 136 5.409 -3.850 -3.074 1.00 0.44 N ATOM 2068 CA LEU A 136 4.289 -2.949 -3.174 1.00 0.54 C ATOM 2069 C LEU A 136 4.801 -1.541 -3.341 1.00 0.41 C ATOM 2070 O LEU A 136 5.169 -0.879 -2.369 1.00 0.47 O ATOM 2071 CB LEU A 136 3.440 -3.049 -1.937 1.00 0.78 C ATOM 2072 CG LEU A 136 2.742 -4.379 -1.754 1.00 0.64 C ATOM 2073 CD1 LEU A 136 2.184 -4.483 -0.349 1.00 1.36 C ATOM 2074 CD2 LEU A 136 1.649 -4.529 -2.800 1.00 1.17 C ATOM 0 H LEU A 136 6.009 -3.674 -2.268 1.00 0.44 H new ATOM 0 HA LEU A 136 3.679 -3.216 -4.037 1.00 0.54 H new ATOM 0 HB2 LEU A 136 4.068 -2.861 -1.066 1.00 0.78 H new ATOM 0 HB3 LEU A 136 2.688 -2.260 -1.964 1.00 0.78 H new ATOM 0 HG LEU A 136 3.456 -5.191 -1.889 1.00 0.64 H new ATOM 0 HD11 LEU A 136 1.683 -5.443 -0.226 1.00 1.36 H new ATOM 0 HD12 LEU A 136 2.997 -4.403 0.372 1.00 1.36 H new ATOM 0 HD13 LEU A 136 1.469 -3.677 -0.181 1.00 1.36 H new ATOM 0 HD21 LEU A 136 1.147 -5.487 -2.667 1.00 1.17 H new ATOM 0 HD22 LEU A 136 0.925 -3.722 -2.688 1.00 1.17 H new ATOM 0 HD23 LEU A 136 2.090 -4.486 -3.796 1.00 1.17 H new ATOM 2086 N VAL A 137 4.835 -1.083 -4.569 1.00 0.31 N ATOM 2087 CA VAL A 137 5.474 0.179 -4.863 1.00 0.27 C ATOM 2088 C VAL A 137 4.455 1.287 -5.003 1.00 0.29 C ATOM 2089 O VAL A 137 3.555 1.224 -5.846 1.00 0.33 O ATOM 2090 CB VAL A 137 6.330 0.121 -6.132 1.00 0.29 C ATOM 2091 CG1 VAL A 137 7.070 1.437 -6.324 1.00 0.43 C ATOM 2092 CG2 VAL A 137 7.292 -1.052 -6.069 1.00 0.41 C ATOM 0 H VAL A 137 4.432 -1.560 -5.376 1.00 0.31 H new ATOM 0 HA VAL A 137 6.130 0.389 -4.018 1.00 0.27 H new ATOM 0 HB VAL A 137 5.680 -0.030 -6.994 1.00 0.29 H new ATOM 0 HG11 VAL A 137 7.676 1.385 -7.229 1.00 0.43 H new ATOM 0 HG12 VAL A 137 6.349 2.250 -6.416 1.00 0.43 H new ATOM 0 HG13 VAL A 137 7.716 1.620 -5.465 1.00 0.43 H new ATOM 0 HG21 VAL A 137 7.893 -1.079 -6.978 1.00 0.41 H new ATOM 0 HG22 VAL A 137 7.947 -0.940 -5.205 1.00 0.41 H new ATOM 0 HG23 VAL A 137 6.728 -1.981 -5.979 1.00 0.41 H new ATOM 2102 N PRO A 138 4.577 2.288 -4.129 1.00 0.34 N ATOM 2103 CA PRO A 138 3.810 3.512 -4.180 1.00 0.43 C ATOM 2104 C PRO A 138 3.682 4.066 -5.583 1.00 0.43 C ATOM 2105 O PRO A 138 4.610 4.003 -6.393 1.00 0.45 O ATOM 2106 CB PRO A 138 4.633 4.469 -3.331 1.00 0.53 C ATOM 2107 CG PRO A 138 5.325 3.612 -2.340 1.00 0.54 C ATOM 2108 CD PRO A 138 5.459 2.254 -2.965 1.00 0.39 C ATOM 0 HA PRO A 138 2.788 3.358 -3.835 1.00 0.43 H new ATOM 0 HB2 PRO A 138 5.348 5.022 -3.941 1.00 0.53 H new ATOM 0 HB3 PRO A 138 3.997 5.205 -2.839 1.00 0.53 H new ATOM 0 HG2 PRO A 138 6.304 4.022 -2.090 1.00 0.54 H new ATOM 0 HG3 PRO A 138 4.756 3.557 -1.412 1.00 0.54 H new ATOM 0 HD2 PRO A 138 6.490 2.053 -3.256 1.00 0.39 H new ATOM 0 HD3 PRO A 138 5.165 1.468 -2.269 1.00 0.39 H new ATOM 2116 N GLU A 139 2.533 4.629 -5.838 1.00 0.48 N ATOM 2117 CA GLU A 139 2.241 5.240 -7.128 1.00 0.56 C ATOM 2118 C GLU A 139 3.004 6.543 -7.271 1.00 0.56 C ATOM 2119 O GLU A 139 3.230 7.028 -8.376 1.00 0.64 O ATOM 2120 CB GLU A 139 0.743 5.469 -7.298 1.00 0.71 C ATOM 2121 CG GLU A 139 0.057 4.386 -8.109 1.00 1.35 C ATOM 2122 CD GLU A 139 0.501 4.396 -9.554 1.00 2.40 C ATOM 2123 OE1 GLU A 139 1.596 3.881 -9.849 1.00 3.08 O ATOM 2124 OE2 GLU A 139 -0.254 4.904 -10.408 1.00 2.78 O ATOM 0 H GLU A 139 1.767 4.683 -5.167 1.00 0.48 H new ATOM 0 HA GLU A 139 2.564 4.558 -7.914 1.00 0.56 H new ATOM 0 HB2 GLU A 139 0.278 5.526 -6.314 1.00 0.71 H new ATOM 0 HB3 GLU A 139 0.583 6.432 -7.782 1.00 0.71 H new ATOM 0 HG2 GLU A 139 0.273 3.412 -7.670 1.00 1.35 H new ATOM 0 HG3 GLU A 139 -1.023 4.525 -8.060 1.00 1.35 H new ATOM 2131 N GLU A 140 3.409 7.089 -6.137 1.00 0.54 N ATOM 2132 CA GLU A 140 4.296 8.238 -6.109 1.00 0.60 C ATOM 2133 C GLU A 140 5.686 7.844 -6.602 1.00 0.56 C ATOM 2134 O GLU A 140 6.452 8.691 -7.056 1.00 0.65 O ATOM 2135 CB GLU A 140 4.383 8.837 -4.694 1.00 0.67 C ATOM 2136 CG GLU A 140 4.140 7.846 -3.569 1.00 0.63 C ATOM 2137 CD GLU A 140 2.665 7.555 -3.362 1.00 1.12 C ATOM 2138 OE1 GLU A 140 1.946 8.451 -2.888 1.00 1.27 O ATOM 2139 OE2 GLU A 140 2.223 6.441 -3.711 1.00 1.57 O ATOM 0 H GLU A 140 3.134 6.750 -5.215 1.00 0.54 H new ATOM 0 HA GLU A 140 3.886 8.998 -6.774 1.00 0.60 H new ATOM 0 HB2 GLU A 140 5.370 9.281 -4.562 1.00 0.67 H new ATOM 0 HB3 GLU A 140 3.656 9.645 -4.611 1.00 0.67 H new ATOM 0 HG2 GLU A 140 4.664 6.916 -3.789 1.00 0.63 H new ATOM 0 HG3 GLU A 140 4.563 8.239 -2.645 1.00 0.63 H new ATOM 2146 N TRP A 141 6.000 6.552 -6.518 1.00 0.47 N ATOM 2147 CA TRP A 141 7.297 6.055 -6.926 1.00 0.49 C ATOM 2148 C TRP A 141 7.195 5.354 -8.276 1.00 0.51 C ATOM 2149 O TRP A 141 8.205 5.098 -8.936 1.00 0.66 O ATOM 2150 CB TRP A 141 7.844 5.113 -5.876 1.00 0.45 C ATOM 2151 CG TRP A 141 7.926 5.701 -4.494 1.00 0.46 C ATOM 2152 CD1 TRP A 141 7.666 6.991 -4.108 1.00 0.54 C ATOM 2153 CD2 TRP A 141 8.290 5.003 -3.309 1.00 0.44 C ATOM 2154 NE1 TRP A 141 7.834 7.122 -2.753 1.00 0.55 N ATOM 2155 CE2 TRP A 141 8.223 5.915 -2.239 1.00 0.49 C ATOM 2156 CE3 TRP A 141 8.663 3.690 -3.053 1.00 0.45 C ATOM 2157 CZ2 TRP A 141 8.517 5.546 -0.928 1.00 0.52 C ATOM 2158 CZ3 TRP A 141 8.954 3.323 -1.756 1.00 0.50 C ATOM 2159 CH2 TRP A 141 8.878 4.246 -0.705 1.00 0.52 C ATOM 0 H TRP A 141 5.365 5.834 -6.168 1.00 0.47 H new ATOM 0 HA TRP A 141 7.982 6.897 -7.029 1.00 0.49 H new ATOM 0 HB2 TRP A 141 7.216 4.223 -5.842 1.00 0.45 H new ATOM 0 HB3 TRP A 141 8.840 4.789 -6.179 1.00 0.45 H new ATOM 0 HD1 TRP A 141 7.372 7.788 -4.774 1.00 0.54 H new ATOM 0 HE1 TRP A 141 7.692 7.978 -2.217 1.00 0.55 H new ATOM 0 HE3 TRP A 141 8.724 2.969 -3.855 1.00 0.45 H new ATOM 0 HZ2 TRP A 141 8.462 6.259 -0.119 1.00 0.52 H new ATOM 0 HZ3 TRP A 141 9.246 2.305 -1.547 1.00 0.50 H new ATOM 0 HH2 TRP A 141 9.109 3.925 0.300 1.00 0.52 H new ATOM 2170 N GLY A 142 5.971 5.030 -8.674 1.00 0.45 N ATOM 2171 CA GLY A 142 5.737 4.480 -9.994 1.00 0.50 C ATOM 2172 C GLY A 142 5.542 2.972 -10.003 1.00 0.45 C ATOM 2173 O GLY A 142 5.766 2.326 -11.027 1.00 0.53 O ATOM 0 H GLY A 142 5.133 5.139 -8.103 1.00 0.45 H new ATOM 0 HA2 GLY A 142 4.855 4.954 -10.424 1.00 0.50 H new ATOM 0 HA3 GLY A 142 6.580 4.732 -10.637 1.00 0.50 H new ATOM 2177 N GLY A 143 5.131 2.398 -8.875 1.00 0.39 N ATOM 2178 CA GLY A 143 4.885 0.964 -8.833 1.00 0.41 C ATOM 2179 C GLY A 143 3.489 0.604 -9.286 1.00 0.45 C ATOM 2180 O GLY A 143 3.186 0.663 -10.478 1.00 0.60 O ATOM 0 H GLY A 143 4.965 2.892 -7.998 1.00 0.39 H new ATOM 0 HA2 GLY A 143 5.612 0.455 -9.466 1.00 0.41 H new ATOM 0 HA3 GLY A 143 5.039 0.602 -7.817 1.00 0.41 H new ATOM 2184 N ASP A 144 2.640 0.213 -8.341 1.00 0.40 N ATOM 2185 CA ASP A 144 1.231 -0.017 -8.627 1.00 0.45 C ATOM 2186 C ASP A 144 0.407 -0.083 -7.342 1.00 0.33 C ATOM 2187 O ASP A 144 -0.283 -1.072 -7.037 1.00 0.35 O ATOM 2188 CB ASP A 144 1.033 -1.290 -9.472 1.00 0.64 C ATOM 2189 CG ASP A 144 1.649 -2.538 -8.862 1.00 1.33 C ATOM 2190 OD1 ASP A 144 2.879 -2.715 -8.982 1.00 1.91 O ATOM 2191 OD2 ASP A 144 0.907 -3.369 -8.298 1.00 1.91 O ATOM 0 H ASP A 144 2.905 0.049 -7.370 1.00 0.40 H new ATOM 0 HA ASP A 144 0.873 0.832 -9.210 1.00 0.45 H new ATOM 0 HB2 ASP A 144 -0.035 -1.457 -9.615 1.00 0.64 H new ATOM 0 HB3 ASP A 144 1.465 -1.129 -10.460 1.00 0.64 H new ATOM 2196 N THR A 145 0.435 1.020 -6.618 1.00 0.26 N ATOM 2197 CA THR A 145 -0.325 1.169 -5.394 1.00 0.24 C ATOM 2198 C THR A 145 -0.411 2.636 -5.004 1.00 0.27 C ATOM 2199 O THR A 145 0.599 3.238 -4.646 1.00 0.37 O ATOM 2200 CB THR A 145 0.314 0.392 -4.223 1.00 0.25 C ATOM 2201 OG1 THR A 145 0.301 -1.017 -4.486 1.00 0.30 O ATOM 2202 CG2 THR A 145 -0.424 0.684 -2.929 1.00 0.30 C ATOM 0 H THR A 145 0.988 1.841 -6.865 1.00 0.26 H new ATOM 0 HA THR A 145 -1.319 0.765 -5.586 1.00 0.24 H new ATOM 0 HB THR A 145 1.349 0.719 -4.121 1.00 0.25 H new ATOM 0 HG1 THR A 145 -0.234 -1.195 -5.288 1.00 0.30 H new ATOM 0 HG21 THR A 145 0.039 0.129 -2.113 1.00 0.30 H new ATOM 0 HG22 THR A 145 -0.375 1.752 -2.715 1.00 0.30 H new ATOM 0 HG23 THR A 145 -1.466 0.382 -3.028 1.00 0.30 H new ATOM 2210 N ILE A 146 -1.597 3.215 -5.081 1.00 0.26 N ATOM 2211 CA ILE A 146 -1.792 4.559 -4.586 1.00 0.28 C ATOM 2212 C ILE A 146 -1.662 4.553 -3.071 1.00 0.23 C ATOM 2213 O ILE A 146 -2.535 4.058 -2.356 1.00 0.24 O ATOM 2214 CB ILE A 146 -3.164 5.134 -5.000 1.00 0.36 C ATOM 2215 CG1 ILE A 146 -3.176 5.518 -6.482 1.00 0.53 C ATOM 2216 CG2 ILE A 146 -3.524 6.332 -4.137 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -2.344 6.742 -6.795 1.00 0.63 C ATOM 0 H ILE A 146 -2.429 2.778 -5.478 1.00 0.26 H new ATOM 0 HA ILE A 146 -1.029 5.200 -5.027 1.00 0.28 H new ATOM 0 HB ILE A 146 -3.914 4.358 -4.846 1.00 0.36 H new ATOM 0 HG12 ILE A 146 -2.807 4.678 -7.070 1.00 0.53 H new ATOM 0 HG13 ILE A 146 -4.205 5.698 -6.794 1.00 0.53 H new ATOM 0 HG21 ILE A 146 -4.494 6.723 -4.444 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -3.570 6.027 -3.092 1.00 0.34 H new ATOM 0 HG23 ILE A 146 -2.766 7.107 -4.256 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -2.398 6.956 -7.862 1.00 0.63 H new ATOM 0 HD12 ILE A 146 -2.726 7.595 -6.234 1.00 0.63 H new ATOM 0 HD13 ILE A 146 -1.307 6.559 -6.514 1.00 0.63 H new ATOM 2229 N PHE A 147 -0.541 5.055 -2.600 1.00 0.25 N ATOM 2230 CA PHE A 147 -0.280 5.147 -1.179 1.00 0.30 C ATOM 2231 C PHE A 147 -0.855 6.439 -0.615 1.00 0.32 C ATOM 2232 O PHE A 147 -0.406 7.531 -0.956 1.00 0.50 O ATOM 2233 CB PHE A 147 1.212 5.135 -0.919 1.00 0.41 C ATOM 2234 CG PHE A 147 1.790 3.776 -0.688 1.00 0.33 C ATOM 2235 CD1 PHE A 147 1.909 2.881 -1.726 1.00 0.32 C ATOM 2236 CD2 PHE A 147 2.223 3.405 0.568 1.00 0.37 C ATOM 2237 CE1 PHE A 147 2.453 1.632 -1.519 1.00 0.33 C ATOM 2238 CE2 PHE A 147 2.766 2.155 0.786 1.00 0.36 C ATOM 2239 CZ PHE A 147 2.883 1.267 -0.261 1.00 0.33 C ATOM 0 H PHE A 147 0.213 5.410 -3.188 1.00 0.25 H new ATOM 0 HA PHE A 147 -0.750 4.291 -0.695 1.00 0.30 H new ATOM 0 HB2 PHE A 147 1.720 5.592 -1.768 1.00 0.41 H new ATOM 0 HB3 PHE A 147 1.421 5.758 -0.049 1.00 0.41 H new ATOM 0 HD1 PHE A 147 1.573 3.160 -2.714 1.00 0.32 H new ATOM 0 HD2 PHE A 147 2.136 4.100 1.390 1.00 0.37 H new ATOM 0 HE1 PHE A 147 2.543 0.939 -2.342 1.00 0.33 H new ATOM 0 HE2 PHE A 147 3.098 1.874 1.774 1.00 0.36 H new ATOM 0 HZ PHE A 147 3.310 0.289 -0.097 1.00 0.33 H new ATOM 2249 N CYS A 148 -1.841 6.322 0.242 1.00 0.26 N ATOM 2250 CA CYS A 148 -2.421 7.487 0.874 1.00 0.27 C ATOM 2251 C CYS A 148 -1.877 7.662 2.284 1.00 0.31 C ATOM 2252 O CYS A 148 -2.120 6.842 3.156 1.00 0.53 O ATOM 2253 CB CYS A 148 -3.939 7.363 0.902 1.00 0.30 C ATOM 2254 SG CYS A 148 -4.695 7.274 -0.738 1.00 0.68 S ATOM 0 H CYS A 148 -2.259 5.434 0.519 1.00 0.26 H new ATOM 0 HA CYS A 148 -2.149 8.368 0.293 1.00 0.27 H new ATOM 0 HB2 CYS A 148 -4.211 6.471 1.466 1.00 0.30 H new ATOM 0 HB3 CYS A 148 -4.354 8.217 1.437 1.00 0.30 H new ATOM 0 HG CYS A 148 -5.170 8.440 -1.061 1.00 0.68 H new ATOM 2260 N LYS A 149 -1.130 8.730 2.492 1.00 0.29 N ATOM 2261 CA LYS A 149 -0.536 9.019 3.797 1.00 0.28 C ATOM 2262 C LYS A 149 -1.540 9.776 4.659 1.00 0.28 C ATOM 2263 O LYS A 149 -1.734 10.980 4.482 1.00 0.40 O ATOM 2264 CB LYS A 149 0.740 9.846 3.606 1.00 0.36 C ATOM 2265 CG LYS A 149 1.739 9.196 2.660 1.00 0.56 C ATOM 2266 CD LYS A 149 2.902 10.119 2.333 1.00 0.89 C ATOM 2267 CE LYS A 149 3.841 9.481 1.321 1.00 1.01 C ATOM 2268 NZ LYS A 149 4.968 10.378 0.956 1.00 1.44 N ATOM 0 H LYS A 149 -0.915 9.420 1.772 1.00 0.29 H new ATOM 0 HA LYS A 149 -0.278 8.086 4.299 1.00 0.28 H new ATOM 0 HB2 LYS A 149 0.473 10.831 3.222 1.00 0.36 H new ATOM 0 HB3 LYS A 149 1.214 10.000 4.575 1.00 0.36 H new ATOM 0 HG2 LYS A 149 2.120 8.279 3.110 1.00 0.56 H new ATOM 0 HG3 LYS A 149 1.232 8.912 1.738 1.00 0.56 H new ATOM 0 HD2 LYS A 149 2.522 11.061 1.938 1.00 0.89 H new ATOM 0 HD3 LYS A 149 3.451 10.354 3.245 1.00 0.89 H new ATOM 0 HE2 LYS A 149 4.237 8.552 1.731 1.00 1.01 H new ATOM 0 HE3 LYS A 149 3.281 9.220 0.423 1.00 1.01 H new ATOM 0 HZ1 LYS A 149 5.581 9.901 0.264 1.00 1.44 H new ATOM 0 HZ2 LYS A 149 4.593 11.255 0.540 1.00 1.44 H new ATOM 0 HZ3 LYS A 149 5.519 10.607 1.808 1.00 1.44 H new ATOM 2282 N LEU A 150 -2.192 9.075 5.576 1.00 0.21 N ATOM 2283 CA LEU A 150 -3.285 9.659 6.321 1.00 0.22 C ATOM 2284 C LEU A 150 -3.199 9.405 7.821 1.00 0.19 C ATOM 2285 O LEU A 150 -2.239 8.869 8.356 1.00 0.17 O ATOM 2286 CB LEU A 150 -4.616 9.111 5.798 1.00 0.25 C ATOM 2287 CG LEU A 150 -4.877 7.621 5.966 1.00 0.26 C ATOM 2288 CD1 LEU A 150 -5.659 7.326 7.234 1.00 0.79 C ATOM 2289 CD2 LEU A 150 -5.605 7.081 4.747 1.00 0.84 C ATOM 0 H LEU A 150 -1.981 8.107 5.817 1.00 0.21 H new ATOM 0 HA LEU A 150 -3.219 10.737 6.173 1.00 0.22 H new ATOM 0 HB2 LEU A 150 -5.421 9.652 6.296 1.00 0.25 H new ATOM 0 HB3 LEU A 150 -4.683 9.347 4.736 1.00 0.25 H new ATOM 0 HG LEU A 150 -3.914 7.119 6.057 1.00 0.26 H new ATOM 0 HD11 LEU A 150 -5.825 6.252 7.318 1.00 0.79 H new ATOM 0 HD12 LEU A 150 -5.095 7.674 8.099 1.00 0.79 H new ATOM 0 HD13 LEU A 150 -6.620 7.840 7.197 1.00 0.79 H new ATOM 0 HD21 LEU A 150 -5.788 6.014 4.875 1.00 0.84 H new ATOM 0 HD22 LEU A 150 -6.556 7.601 4.631 1.00 0.84 H new ATOM 0 HD23 LEU A 150 -4.994 7.240 3.858 1.00 0.84 H new ATOM 2301 N SER A 151 -4.259 9.796 8.459 1.00 0.26 N ATOM 2302 CA SER A 151 -4.513 9.548 9.853 1.00 0.29 C ATOM 2303 C SER A 151 -5.994 9.703 10.048 1.00 0.25 C ATOM 2304 O SER A 151 -6.547 10.772 9.780 1.00 0.29 O ATOM 2305 CB SER A 151 -3.782 10.501 10.774 1.00 0.46 C ATOM 2306 OG SER A 151 -4.293 10.399 12.088 1.00 1.77 O ATOM 0 H SER A 151 -5.007 10.321 8.006 1.00 0.26 H new ATOM 0 HA SER A 151 -4.153 8.551 10.107 1.00 0.29 H new ATOM 0 HB2 SER A 151 -2.716 10.274 10.772 1.00 0.46 H new ATOM 0 HB3 SER A 151 -3.891 11.523 10.412 1.00 0.46 H new ATOM 0 HG SER A 151 -3.657 9.908 12.649 1.00 1.77 H new ATOM 2312 N ALA A 152 -6.650 8.639 10.437 1.00 0.28 N ATOM 2313 CA ALA A 152 -8.057 8.723 10.751 1.00 0.31 C ATOM 2314 C ALA A 152 -8.230 9.490 12.047 1.00 0.33 C ATOM 2315 O ALA A 152 -9.311 9.979 12.358 1.00 0.41 O ATOM 2316 CB ALA A 152 -8.665 7.345 10.846 1.00 0.41 C ATOM 0 H ALA A 152 -6.239 7.712 10.544 1.00 0.28 H new ATOM 0 HA ALA A 152 -8.578 9.253 9.953 1.00 0.31 H new ATOM 0 HB1 ALA A 152 -9.725 7.431 11.083 1.00 0.41 H new ATOM 0 HB2 ALA A 152 -8.547 6.829 9.893 1.00 0.41 H new ATOM 0 HB3 ALA A 152 -8.162 6.779 11.630 1.00 0.41 H new ATOM 2322 N LYS A 153 -7.129 9.601 12.777 1.00 0.30 N ATOM 2323 CA LYS A 153 -7.095 10.368 14.001 1.00 0.34 C ATOM 2324 C LYS A 153 -7.208 11.864 13.703 1.00 0.36 C ATOM 2325 O LYS A 153 -8.084 12.540 14.243 1.00 0.49 O ATOM 2326 CB LYS A 153 -5.809 10.071 14.740 1.00 0.35 C ATOM 2327 CG LYS A 153 -5.967 9.913 16.237 1.00 0.60 C ATOM 2328 CD LYS A 153 -6.240 11.243 16.915 1.00 1.12 C ATOM 2329 CE LYS A 153 -6.104 11.135 18.424 1.00 1.65 C ATOM 2330 NZ LYS A 153 -6.343 12.441 19.091 1.00 2.30 N ATOM 0 H LYS A 153 -6.241 9.162 12.534 1.00 0.30 H new ATOM 0 HA LYS A 153 -7.943 10.085 14.625 1.00 0.34 H new ATOM 0 HB2 LYS A 153 -5.375 9.157 14.335 1.00 0.35 H new ATOM 0 HB3 LYS A 153 -5.099 10.875 14.545 1.00 0.35 H new ATOM 0 HG2 LYS A 153 -6.785 9.223 16.446 1.00 0.60 H new ATOM 0 HG3 LYS A 153 -5.062 9.471 16.654 1.00 0.60 H new ATOM 0 HD2 LYS A 153 -5.546 11.994 16.539 1.00 1.12 H new ATOM 0 HD3 LYS A 153 -7.244 11.582 16.662 1.00 1.12 H new ATOM 0 HE2 LYS A 153 -6.813 10.398 18.802 1.00 1.65 H new ATOM 0 HE3 LYS A 153 -5.106 10.775 18.675 1.00 1.65 H new ATOM 0 HZ1 LYS A 153 -6.242 12.329 20.120 1.00 2.30 H new ATOM 0 HZ2 LYS A 153 -5.651 13.137 18.749 1.00 2.30 H new ATOM 0 HZ3 LYS A 153 -7.304 12.772 18.872 1.00 2.30 H new ATOM 2344 N THR A 154 -6.333 12.386 12.839 1.00 0.30 N ATOM 2345 CA THR A 154 -6.406 13.800 12.471 1.00 0.39 C ATOM 2346 C THR A 154 -7.468 14.051 11.413 1.00 0.36 C ATOM 2347 O THR A 154 -7.829 15.200 11.142 1.00 0.41 O ATOM 2348 CB THR A 154 -5.057 14.347 11.965 1.00 0.47 C ATOM 2349 OG1 THR A 154 -4.398 13.361 11.164 1.00 0.50 O ATOM 2350 CG2 THR A 154 -4.170 14.767 13.125 1.00 0.70 C ATOM 0 H THR A 154 -5.581 11.863 12.390 1.00 0.30 H new ATOM 0 HA THR A 154 -6.674 14.328 13.386 1.00 0.39 H new ATOM 0 HB THR A 154 -5.251 15.229 11.354 1.00 0.47 H new ATOM 0 HG1 THR A 154 -3.542 13.717 10.845 1.00 0.50 H new ATOM 0 HG21 THR A 154 -3.224 15.149 12.740 1.00 0.70 H new ATOM 0 HG22 THR A 154 -4.669 15.546 13.701 1.00 0.70 H new ATOM 0 HG23 THR A 154 -3.979 13.907 13.767 1.00 0.70 H new ATOM 2358 N LYS A 155 -7.960 12.960 10.819 1.00 0.30 N ATOM 2359 CA LYS A 155 -9.003 13.031 9.798 1.00 0.32 C ATOM 2360 C LYS A 155 -8.475 13.692 8.541 1.00 0.34 C ATOM 2361 O LYS A 155 -9.163 14.483 7.901 1.00 0.41 O ATOM 2362 CB LYS A 155 -10.223 13.797 10.311 1.00 0.38 C ATOM 2363 CG LYS A 155 -11.165 12.953 11.135 1.00 0.40 C ATOM 2364 CD LYS A 155 -11.663 11.779 10.321 1.00 0.45 C ATOM 2365 CE LYS A 155 -12.980 11.255 10.857 1.00 0.61 C ATOM 2366 NZ LYS A 155 -14.021 12.318 10.858 1.00 1.36 N ATOM 0 H LYS A 155 -7.649 12.012 11.031 1.00 0.30 H new ATOM 0 HA LYS A 155 -9.307 12.011 9.563 1.00 0.32 H new ATOM 0 HB2 LYS A 155 -9.885 14.641 10.912 1.00 0.38 H new ATOM 0 HB3 LYS A 155 -10.767 14.209 9.461 1.00 0.38 H new ATOM 0 HG2 LYS A 155 -10.656 12.595 12.030 1.00 0.40 H new ATOM 0 HG3 LYS A 155 -12.009 13.557 11.469 1.00 0.40 H new ATOM 0 HD2 LYS A 155 -11.786 12.081 9.281 1.00 0.45 H new ATOM 0 HD3 LYS A 155 -10.919 10.982 10.336 1.00 0.45 H new ATOM 0 HE2 LYS A 155 -13.315 10.415 10.249 1.00 0.61 H new ATOM 0 HE3 LYS A 155 -12.839 10.879 11.870 1.00 0.61 H new ATOM 0 HZ1 LYS A 155 -14.960 11.885 10.743 1.00 1.36 H new ATOM 0 HZ2 LYS A 155 -13.987 12.837 11.759 1.00 1.36 H new ATOM 0 HZ3 LYS A 155 -13.845 12.977 10.072 1.00 1.36 H new ATOM 2380 N GLU A 156 -7.261 13.337 8.176 1.00 0.30 N ATOM 2381 CA GLU A 156 -6.582 14.005 7.079 1.00 0.33 C ATOM 2382 C GLU A 156 -6.736 13.200 5.785 1.00 0.28 C ATOM 2383 O GLU A 156 -7.402 13.612 4.822 1.00 0.30 O ATOM 2384 CB GLU A 156 -5.106 14.220 7.490 1.00 0.40 C ATOM 2385 CG GLU A 156 -4.059 13.866 6.445 1.00 1.30 C ATOM 2386 CD GLU A 156 -3.927 14.899 5.345 1.00 1.70 C ATOM 2387 OE1 GLU A 156 -3.501 16.031 5.644 1.00 1.52 O ATOM 2388 OE2 GLU A 156 -4.232 14.575 4.177 1.00 2.48 O ATOM 0 H GLU A 156 -6.723 12.592 8.619 1.00 0.30 H new ATOM 0 HA GLU A 156 -7.026 14.979 6.876 1.00 0.33 H new ATOM 0 HB2 GLU A 156 -4.976 15.267 7.764 1.00 0.40 H new ATOM 0 HB3 GLU A 156 -4.910 13.629 8.385 1.00 0.40 H new ATOM 0 HG2 GLU A 156 -3.094 13.745 6.936 1.00 1.30 H new ATOM 0 HG3 GLU A 156 -4.313 12.904 6.000 1.00 1.30 H new ATOM 2395 N GLY A 157 -6.182 12.016 5.794 1.00 0.29 N ATOM 2396 CA GLY A 157 -6.122 11.244 4.597 1.00 0.28 C ATOM 2397 C GLY A 157 -7.359 10.416 4.362 1.00 0.27 C ATOM 2398 O GLY A 157 -7.408 9.665 3.402 1.00 0.29 O ATOM 0 H GLY A 157 -5.770 11.574 6.616 1.00 0.29 H new ATOM 0 HA2 GLY A 157 -5.973 11.912 3.749 1.00 0.28 H new ATOM 0 HA3 GLY A 157 -5.255 10.585 4.640 1.00 0.28 H new ATOM 2402 N LEU A 158 -8.352 10.517 5.237 1.00 0.26 N ATOM 2403 CA LEU A 158 -9.582 9.779 5.037 1.00 0.28 C ATOM 2404 C LEU A 158 -10.333 10.380 3.871 1.00 0.30 C ATOM 2405 O LEU A 158 -10.852 9.668 3.014 1.00 0.33 O ATOM 2406 CB LEU A 158 -10.449 9.789 6.296 1.00 0.31 C ATOM 2407 CG LEU A 158 -9.928 8.934 7.450 1.00 0.47 C ATOM 2408 CD1 LEU A 158 -10.954 8.887 8.570 1.00 0.73 C ATOM 2409 CD2 LEU A 158 -9.598 7.529 6.973 1.00 0.80 C ATOM 0 H LEU A 158 -8.327 11.094 6.078 1.00 0.26 H new ATOM 0 HA LEU A 158 -9.338 8.739 4.820 1.00 0.28 H new ATOM 0 HB2 LEU A 158 -10.547 10.818 6.642 1.00 0.31 H new ATOM 0 HB3 LEU A 158 -11.449 9.445 6.032 1.00 0.31 H new ATOM 0 HG LEU A 158 -9.013 9.387 7.830 1.00 0.47 H new ATOM 0 HD11 LEU A 158 -10.573 8.275 9.387 1.00 0.73 H new ATOM 0 HD12 LEU A 158 -11.145 9.897 8.932 1.00 0.73 H new ATOM 0 HD13 LEU A 158 -11.882 8.455 8.196 1.00 0.73 H new ATOM 0 HD21 LEU A 158 -9.229 6.938 7.811 1.00 0.80 H new ATOM 0 HD22 LEU A 158 -10.496 7.062 6.567 1.00 0.80 H new ATOM 0 HD23 LEU A 158 -8.833 7.578 6.198 1.00 0.80 H new ATOM 2421 N ASP A 159 -10.352 11.702 3.828 1.00 0.32 N ATOM 2422 CA ASP A 159 -10.974 12.400 2.725 1.00 0.38 C ATOM 2423 C ASP A 159 -10.048 12.375 1.517 1.00 0.32 C ATOM 2424 O ASP A 159 -10.507 12.262 0.377 1.00 0.33 O ATOM 2425 CB ASP A 159 -11.327 13.839 3.110 1.00 0.50 C ATOM 2426 CG ASP A 159 -12.139 14.544 2.037 1.00 1.25 C ATOM 2427 OD1 ASP A 159 -13.368 14.302 1.957 1.00 1.42 O ATOM 2428 OD2 ASP A 159 -11.564 15.351 1.280 1.00 2.20 O ATOM 0 H ASP A 159 -9.945 12.307 4.542 1.00 0.32 H new ATOM 0 HA ASP A 159 -11.904 11.892 2.471 1.00 0.38 H new ATOM 0 HB2 ASP A 159 -11.890 13.835 4.043 1.00 0.50 H new ATOM 0 HB3 ASP A 159 -10.410 14.398 3.294 1.00 0.50 H new ATOM 2433 N HIS A 160 -8.734 12.440 1.766 1.00 0.30 N ATOM 2434 CA HIS A 160 -7.766 12.355 0.675 1.00 0.30 C ATOM 2435 C HIS A 160 -7.737 10.947 0.071 1.00 0.28 C ATOM 2436 O HIS A 160 -7.380 10.767 -1.095 1.00 0.33 O ATOM 2437 CB HIS A 160 -6.369 12.759 1.159 1.00 0.34 C ATOM 2438 CG HIS A 160 -5.340 12.759 0.069 1.00 0.41 C ATOM 2439 ND1 HIS A 160 -5.232 13.767 -0.863 1.00 0.52 N ATOM 2440 CD2 HIS A 160 -4.383 11.860 -0.237 1.00 0.46 C ATOM 2441 CE1 HIS A 160 -4.249 13.483 -1.700 1.00 0.58 C ATOM 2442 NE2 HIS A 160 -3.717 12.331 -1.343 1.00 0.54 N ATOM 0 H HIS A 160 -8.327 12.549 2.695 1.00 0.30 H new ATOM 0 HA HIS A 160 -8.078 13.051 -0.104 1.00 0.30 H new ATOM 0 HB2 HIS A 160 -6.419 13.754 1.602 1.00 0.34 H new ATOM 0 HB3 HIS A 160 -6.053 12.075 1.947 1.00 0.34 H new ATOM 0 HD1 HIS A 160 -5.818 14.601 -0.901 1.00 0.52 H new ATOM 0 HD2 HIS A 160 -4.178 10.940 0.290 1.00 0.46 H new ATOM 0 HE1 HIS A 160 -3.935 14.092 -2.535 1.00 0.58 H new ATOM 2451 N LEU A 161 -8.109 9.953 0.868 1.00 0.27 N ATOM 2452 CA LEU A 161 -8.209 8.578 0.396 1.00 0.28 C ATOM 2453 C LEU A 161 -9.252 8.494 -0.695 1.00 0.29 C ATOM 2454 O LEU A 161 -8.990 8.009 -1.796 1.00 0.31 O ATOM 2455 CB LEU A 161 -8.602 7.653 1.551 1.00 0.29 C ATOM 2456 CG LEU A 161 -8.685 6.163 1.219 1.00 0.57 C ATOM 2457 CD1 LEU A 161 -7.321 5.621 0.832 1.00 1.15 C ATOM 2458 CD2 LEU A 161 -9.253 5.388 2.401 1.00 1.16 C ATOM 0 H LEU A 161 -8.348 10.076 1.852 1.00 0.27 H new ATOM 0 HA LEU A 161 -7.242 8.265 0.003 1.00 0.28 H new ATOM 0 HB2 LEU A 161 -7.881 7.785 2.358 1.00 0.29 H new ATOM 0 HB3 LEU A 161 -9.571 7.974 1.934 1.00 0.29 H new ATOM 0 HG LEU A 161 -9.354 6.038 0.368 1.00 0.57 H new ATOM 0 HD11 LEU A 161 -7.404 4.559 0.600 1.00 1.15 H new ATOM 0 HD12 LEU A 161 -6.952 6.156 -0.043 1.00 1.15 H new ATOM 0 HD13 LEU A 161 -6.626 5.758 1.661 1.00 1.15 H new ATOM 0 HD21 LEU A 161 -9.306 4.329 2.150 1.00 1.16 H new ATOM 0 HD22 LEU A 161 -8.607 5.523 3.269 1.00 1.16 H new ATOM 0 HD23 LEU A 161 -10.252 5.757 2.631 1.00 1.16 H new ATOM 2470 N LEU A 162 -10.434 8.995 -0.370 1.00 0.31 N ATOM 2471 CA LEU A 162 -11.544 9.043 -1.308 1.00 0.37 C ATOM 2472 C LEU A 162 -11.117 9.763 -2.569 1.00 0.38 C ATOM 2473 O LEU A 162 -11.402 9.309 -3.671 1.00 0.45 O ATOM 2474 CB LEU A 162 -12.724 9.778 -0.682 1.00 0.47 C ATOM 2475 CG LEU A 162 -12.976 9.446 0.782 1.00 0.85 C ATOM 2476 CD1 LEU A 162 -14.091 10.309 1.344 1.00 1.49 C ATOM 2477 CD2 LEU A 162 -13.305 7.968 0.956 1.00 1.51 C ATOM 0 H LEU A 162 -10.650 9.379 0.550 1.00 0.31 H new ATOM 0 HA LEU A 162 -11.843 8.024 -1.553 1.00 0.37 H new ATOM 0 HB2 LEU A 162 -12.556 10.851 -0.773 1.00 0.47 H new ATOM 0 HB3 LEU A 162 -13.623 9.546 -1.253 1.00 0.47 H new ATOM 0 HG LEU A 162 -12.063 9.659 1.337 1.00 0.85 H new ATOM 0 HD11 LEU A 162 -14.255 10.055 2.391 1.00 1.49 H new ATOM 0 HD12 LEU A 162 -13.813 11.360 1.264 1.00 1.49 H new ATOM 0 HD13 LEU A 162 -15.007 10.132 0.780 1.00 1.49 H new ATOM 0 HD21 LEU A 162 -13.481 7.756 2.011 1.00 1.51 H new ATOM 0 HD22 LEU A 162 -14.200 7.724 0.383 1.00 1.51 H new ATOM 0 HD23 LEU A 162 -12.470 7.365 0.599 1.00 1.51 H new ATOM 2489 N GLU A 163 -10.416 10.885 -2.377 1.00 0.37 N ATOM 2490 CA GLU A 163 -9.874 11.667 -3.494 1.00 0.44 C ATOM 2491 C GLU A 163 -9.174 10.770 -4.505 1.00 0.41 C ATOM 2492 O GLU A 163 -9.486 10.793 -5.695 1.00 0.50 O ATOM 2493 CB GLU A 163 -8.867 12.717 -3.011 1.00 0.56 C ATOM 2494 CG GLU A 163 -9.468 13.893 -2.260 1.00 1.03 C ATOM 2495 CD GLU A 163 -8.434 14.968 -1.982 1.00 1.78 C ATOM 2496 OE1 GLU A 163 -8.227 15.845 -2.844 1.00 2.14 O ATOM 2497 OE2 GLU A 163 -7.833 14.953 -0.885 1.00 2.57 O ATOM 0 H GLU A 163 -10.210 11.273 -1.456 1.00 0.37 H new ATOM 0 HA GLU A 163 -10.724 12.164 -3.962 1.00 0.44 H new ATOM 0 HB2 GLU A 163 -8.138 12.228 -2.365 1.00 0.56 H new ATOM 0 HB3 GLU A 163 -8.322 13.098 -3.874 1.00 0.56 H new ATOM 0 HG2 GLU A 163 -10.286 14.317 -2.842 1.00 1.03 H new ATOM 0 HG3 GLU A 163 -9.893 13.545 -1.319 1.00 1.03 H new ATOM 2504 N MET A 164 -8.233 9.973 -4.022 1.00 0.37 N ATOM 2505 CA MET A 164 -7.436 9.125 -4.895 1.00 0.39 C ATOM 2506 C MET A 164 -8.262 7.964 -5.433 1.00 0.37 C ATOM 2507 O MET A 164 -8.145 7.597 -6.602 1.00 0.43 O ATOM 2508 CB MET A 164 -6.207 8.598 -4.155 1.00 0.43 C ATOM 2509 CG MET A 164 -5.248 9.680 -3.663 1.00 0.64 C ATOM 2510 SD MET A 164 -4.428 10.580 -5.001 1.00 0.58 S ATOM 2511 CE MET A 164 -5.695 11.746 -5.502 1.00 0.53 C ATOM 0 H MET A 164 -8.003 9.896 -3.031 1.00 0.37 H new ATOM 0 HA MET A 164 -7.106 9.730 -5.739 1.00 0.39 H new ATOM 0 HB2 MET A 164 -6.539 8.009 -3.300 1.00 0.43 H new ATOM 0 HB3 MET A 164 -5.664 7.922 -4.816 1.00 0.43 H new ATOM 0 HG2 MET A 164 -5.799 10.388 -3.044 1.00 0.64 H new ATOM 0 HG3 MET A 164 -4.491 9.221 -3.027 1.00 0.64 H new ATOM 0 HE1 MET A 164 -5.262 12.743 -5.578 1.00 0.53 H new ATOM 0 HE2 MET A 164 -6.099 11.451 -6.471 1.00 0.53 H new ATOM 0 HE3 MET A 164 -6.496 11.753 -4.762 1.00 0.53 H new ATOM 2521 N ILE A 165 -9.102 7.399 -4.578 1.00 0.34 N ATOM 2522 CA ILE A 165 -9.962 6.291 -4.968 1.00 0.38 C ATOM 2523 C ILE A 165 -10.901 6.691 -6.109 1.00 0.44 C ATOM 2524 O ILE A 165 -11.000 5.985 -7.115 1.00 0.52 O ATOM 2525 CB ILE A 165 -10.802 5.794 -3.777 1.00 0.40 C ATOM 2526 CG1 ILE A 165 -9.903 5.139 -2.725 1.00 0.42 C ATOM 2527 CG2 ILE A 165 -11.868 4.824 -4.254 1.00 0.50 C ATOM 2528 CD1 ILE A 165 -10.647 4.667 -1.494 1.00 0.50 C ATOM 0 H ILE A 165 -9.207 7.691 -3.606 1.00 0.34 H new ATOM 0 HA ILE A 165 -9.309 5.487 -5.308 1.00 0.38 H new ATOM 0 HB ILE A 165 -11.297 6.649 -3.317 1.00 0.40 H new ATOM 0 HG12 ILE A 165 -9.391 4.289 -3.177 1.00 0.42 H new ATOM 0 HG13 ILE A 165 -9.135 5.851 -2.423 1.00 0.42 H new ATOM 0 HG21 ILE A 165 -12.455 4.480 -3.402 1.00 0.50 H new ATOM 0 HG22 ILE A 165 -12.523 5.325 -4.967 1.00 0.50 H new ATOM 0 HG23 ILE A 165 -11.393 3.969 -4.736 1.00 0.50 H new ATOM 0 HD11 ILE A 165 -9.944 4.214 -0.795 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -11.137 5.516 -1.017 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -11.397 3.930 -1.782 1.00 0.50 H new ATOM 2540 N LEU A 166 -11.591 7.820 -5.955 1.00 0.46 N ATOM 2541 CA LEU A 166 -12.542 8.259 -6.969 1.00 0.57 C ATOM 2542 C LEU A 166 -11.830 8.727 -8.219 1.00 0.61 C ATOM 2543 O LEU A 166 -12.350 8.598 -9.320 1.00 0.70 O ATOM 2544 CB LEU A 166 -13.486 9.353 -6.439 1.00 0.66 C ATOM 2545 CG LEU A 166 -12.842 10.602 -5.826 1.00 1.07 C ATOM 2546 CD1 LEU A 166 -12.486 11.626 -6.897 1.00 1.73 C ATOM 2547 CD2 LEU A 166 -13.775 11.220 -4.794 1.00 1.38 C ATOM 0 H LEU A 166 -11.510 8.439 -5.148 1.00 0.46 H new ATOM 0 HA LEU A 166 -13.155 7.395 -7.226 1.00 0.57 H new ATOM 0 HB2 LEU A 166 -14.127 9.673 -7.261 1.00 0.66 H new ATOM 0 HB3 LEU A 166 -14.134 8.904 -5.686 1.00 0.66 H new ATOM 0 HG LEU A 166 -11.918 10.298 -5.335 1.00 1.07 H new ATOM 0 HD11 LEU A 166 -12.032 12.499 -6.429 1.00 1.73 H new ATOM 0 HD12 LEU A 166 -11.782 11.185 -7.603 1.00 1.73 H new ATOM 0 HD13 LEU A 166 -13.390 11.928 -7.427 1.00 1.73 H new ATOM 0 HD21 LEU A 166 -13.307 12.106 -4.365 1.00 1.38 H new ATOM 0 HD22 LEU A 166 -14.713 11.501 -5.273 1.00 1.38 H new ATOM 0 HD23 LEU A 166 -13.974 10.496 -4.004 1.00 1.38 H new ATOM 2559 N LEU A 167 -10.646 9.283 -8.040 1.00 0.56 N ATOM 2560 CA LEU A 167 -9.791 9.626 -9.165 1.00 0.64 C ATOM 2561 C LEU A 167 -9.595 8.391 -10.027 1.00 0.66 C ATOM 2562 O LEU A 167 -9.812 8.422 -11.233 1.00 0.75 O ATOM 2563 CB LEU A 167 -8.441 10.165 -8.663 1.00 0.64 C ATOM 2564 CG LEU A 167 -7.580 10.925 -9.685 1.00 0.81 C ATOM 2565 CD1 LEU A 167 -6.907 9.974 -10.664 1.00 1.47 C ATOM 2566 CD2 LEU A 167 -8.420 11.951 -10.431 1.00 1.51 C ATOM 0 H LEU A 167 -10.253 9.507 -7.126 1.00 0.56 H new ATOM 0 HA LEU A 167 -10.260 10.408 -9.761 1.00 0.64 H new ATOM 0 HB2 LEU A 167 -8.631 10.827 -7.819 1.00 0.64 H new ATOM 0 HB3 LEU A 167 -7.858 9.325 -8.284 1.00 0.64 H new ATOM 0 HG LEU A 167 -6.796 11.446 -9.136 1.00 0.81 H new ATOM 0 HD11 LEU A 167 -6.307 10.545 -11.372 1.00 1.47 H new ATOM 0 HD12 LEU A 167 -6.264 9.284 -10.117 1.00 1.47 H new ATOM 0 HD13 LEU A 167 -7.667 9.411 -11.205 1.00 1.47 H new ATOM 0 HD21 LEU A 167 -7.794 12.480 -11.150 1.00 1.51 H new ATOM 0 HD22 LEU A 167 -9.230 11.445 -10.957 1.00 1.51 H new ATOM 0 HD23 LEU A 167 -8.838 12.664 -9.721 1.00 1.51 H new ATOM 2578 N VAL A 168 -9.216 7.295 -9.387 1.00 0.61 N ATOM 2579 CA VAL A 168 -9.084 6.023 -10.064 1.00 0.69 C ATOM 2580 C VAL A 168 -10.432 5.572 -10.627 1.00 0.77 C ATOM 2581 O VAL A 168 -10.520 5.135 -11.774 1.00 0.89 O ATOM 2582 CB VAL A 168 -8.527 4.948 -9.108 1.00 0.68 C ATOM 2583 CG1 VAL A 168 -8.477 3.599 -9.789 1.00 0.84 C ATOM 2584 CG2 VAL A 168 -7.142 5.340 -8.605 1.00 0.66 C ATOM 0 H VAL A 168 -8.994 7.266 -8.392 1.00 0.61 H new ATOM 0 HA VAL A 168 -8.383 6.152 -10.888 1.00 0.69 H new ATOM 0 HB VAL A 168 -9.198 4.877 -8.252 1.00 0.68 H new ATOM 0 HG11 VAL A 168 -8.081 2.856 -9.096 1.00 0.84 H new ATOM 0 HG12 VAL A 168 -9.482 3.309 -10.097 1.00 0.84 H new ATOM 0 HG13 VAL A 168 -7.832 3.658 -10.666 1.00 0.84 H new ATOM 0 HG21 VAL A 168 -6.767 4.568 -7.932 1.00 0.66 H new ATOM 0 HG22 VAL A 168 -6.463 5.444 -9.452 1.00 0.66 H new ATOM 0 HG23 VAL A 168 -7.204 6.288 -8.071 1.00 0.66 H new ATOM 2594 N SER A 169 -11.487 5.689 -9.822 1.00 0.74 N ATOM 2595 CA SER A 169 -12.821 5.284 -10.247 1.00 0.87 C ATOM 2596 C SER A 169 -13.299 6.038 -11.503 1.00 0.96 C ATOM 2597 O SER A 169 -13.843 5.425 -12.427 1.00 1.12 O ATOM 2598 CB SER A 169 -13.811 5.484 -9.099 1.00 0.88 C ATOM 2599 OG SER A 169 -13.399 4.767 -7.944 1.00 1.35 O ATOM 0 H SER A 169 -11.441 6.061 -8.873 1.00 0.74 H new ATOM 0 HA SER A 169 -12.771 4.228 -10.514 1.00 0.87 H new ATOM 0 HB2 SER A 169 -13.892 6.545 -8.864 1.00 0.88 H new ATOM 0 HB3 SER A 169 -14.802 5.149 -9.406 1.00 0.88 H new ATOM 0 HG SER A 169 -12.587 5.175 -7.578 1.00 1.35 H new ATOM 2605 N GLU A 170 -13.081 7.346 -11.559 1.00 0.96 N ATOM 2606 CA GLU A 170 -13.657 8.162 -12.623 1.00 1.11 C ATOM 2607 C GLU A 170 -12.636 8.525 -13.704 1.00 1.17 C ATOM 2608 O GLU A 170 -12.979 9.207 -14.669 1.00 1.37 O ATOM 2609 CB GLU A 170 -14.272 9.435 -12.032 1.00 1.26 C ATOM 2610 CG GLU A 170 -15.432 9.164 -11.085 1.00 1.84 C ATOM 2611 CD GLU A 170 -16.028 10.435 -10.506 1.00 2.19 C ATOM 2612 OE1 GLU A 170 -15.541 10.905 -9.454 1.00 2.73 O ATOM 2613 OE2 GLU A 170 -16.982 10.976 -11.107 1.00 2.56 O ATOM 0 H GLU A 170 -12.514 7.862 -10.886 1.00 0.96 H new ATOM 0 HA GLU A 170 -14.432 7.565 -13.103 1.00 1.11 H new ATOM 0 HB2 GLU A 170 -13.499 9.989 -11.499 1.00 1.26 H new ATOM 0 HB3 GLU A 170 -14.618 10.073 -12.845 1.00 1.26 H new ATOM 0 HG2 GLU A 170 -16.208 8.614 -11.617 1.00 1.84 H new ATOM 0 HG3 GLU A 170 -15.089 8.525 -10.271 1.00 1.84 H new ATOM 2620 N MET A 171 -11.393 8.064 -13.559 1.00 1.11 N ATOM 2621 CA MET A 171 -10.338 8.424 -14.514 1.00 1.28 C ATOM 2622 C MET A 171 -10.641 7.887 -15.910 1.00 1.54 C ATOM 2623 O MET A 171 -10.364 8.552 -16.908 1.00 1.88 O ATOM 2624 CB MET A 171 -8.958 7.932 -14.053 1.00 1.31 C ATOM 2625 CG MET A 171 -8.808 6.418 -14.023 1.00 1.43 C ATOM 2626 SD MET A 171 -7.160 5.895 -13.511 1.00 1.66 S ATOM 2627 CE MET A 171 -7.337 4.113 -13.607 1.00 1.68 C ATOM 0 H MET A 171 -11.092 7.450 -12.802 1.00 1.11 H new ATOM 0 HA MET A 171 -10.316 9.513 -14.557 1.00 1.28 H new ATOM 0 HB2 MET A 171 -8.198 8.347 -14.715 1.00 1.31 H new ATOM 0 HB3 MET A 171 -8.761 8.324 -13.055 1.00 1.31 H new ATOM 0 HG2 MET A 171 -9.547 5.997 -13.341 1.00 1.43 H new ATOM 0 HG3 MET A 171 -9.022 6.016 -15.013 1.00 1.43 H new ATOM 0 HE1 MET A 171 -6.417 3.637 -13.269 1.00 1.68 H new ATOM 0 HE2 MET A 171 -8.164 3.795 -12.973 1.00 1.68 H new ATOM 0 HE3 MET A 171 -7.538 3.822 -14.638 1.00 1.68 H new ATOM 2637 N GLU A 172 -11.210 6.689 -15.987 1.00 1.62 N ATOM 2638 CA GLU A 172 -11.548 6.111 -17.279 1.00 2.07 C ATOM 2639 C GLU A 172 -13.008 6.380 -17.618 1.00 2.05 C ATOM 2640 O GLU A 172 -13.305 7.298 -18.381 1.00 2.58 O ATOM 2641 CB GLU A 172 -11.244 4.611 -17.315 1.00 2.47 C ATOM 2642 CG GLU A 172 -9.770 4.296 -17.113 1.00 3.01 C ATOM 2643 CD GLU A 172 -9.290 3.164 -17.994 1.00 3.71 C ATOM 2644 OE1 GLU A 172 -8.964 3.411 -19.173 1.00 4.27 O ATOM 2645 OE2 GLU A 172 -9.235 2.013 -17.507 1.00 4.04 O ATOM 0 H GLU A 172 -11.443 6.108 -15.182 1.00 1.62 H new ATOM 0 HA GLU A 172 -10.926 6.589 -18.035 1.00 2.07 H new ATOM 0 HB2 GLU A 172 -11.826 4.110 -16.541 1.00 2.47 H new ATOM 0 HB3 GLU A 172 -11.569 4.203 -18.272 1.00 2.47 H new ATOM 0 HG2 GLU A 172 -9.180 5.189 -17.321 1.00 3.01 H new ATOM 0 HG3 GLU A 172 -9.598 4.036 -16.068 1.00 3.01 H new ATOM 2652 N GLU A 173 -13.928 5.604 -17.052 1.00 1.85 N ATOM 2653 CA GLU A 173 -15.342 5.884 -17.261 1.00 2.28 C ATOM 2654 C GLU A 173 -16.021 6.285 -15.952 1.00 2.77 C ATOM 2655 O GLU A 173 -16.040 7.460 -15.594 1.00 3.47 O ATOM 2656 CB GLU A 173 -16.052 4.662 -17.855 1.00 2.50 C ATOM 2657 CG GLU A 173 -15.373 4.094 -19.093 1.00 2.86 C ATOM 2658 CD GLU A 173 -16.103 2.888 -19.646 1.00 3.41 C ATOM 2659 OE1 GLU A 173 -16.430 1.973 -18.862 1.00 3.91 O ATOM 2660 OE2 GLU A 173 -16.354 2.848 -20.868 1.00 3.82 O ATOM 0 H GLU A 173 -13.727 4.798 -16.461 1.00 1.85 H new ATOM 0 HA GLU A 173 -15.414 6.716 -17.962 1.00 2.28 H new ATOM 0 HB2 GLU A 173 -16.110 3.883 -17.095 1.00 2.50 H new ATOM 0 HB3 GLU A 173 -17.076 4.937 -18.108 1.00 2.50 H new ATOM 0 HG2 GLU A 173 -15.317 4.866 -19.861 1.00 2.86 H new ATOM 0 HG3 GLU A 173 -14.349 3.815 -18.847 1.00 2.86 H new ATOM 2667 N LEU A 174 -16.555 5.306 -15.231 1.00 2.83 N ATOM 2668 CA LEU A 174 -17.132 5.555 -13.911 1.00 3.69 C ATOM 2669 C LEU A 174 -16.856 4.371 -12.985 1.00 3.89 C ATOM 2670 O LEU A 174 -17.342 4.313 -11.857 1.00 4.73 O ATOM 2671 CB LEU A 174 -18.642 5.798 -14.037 1.00 4.31 C ATOM 2672 CG LEU A 174 -19.331 6.330 -12.778 1.00 4.98 C ATOM 2673 CD1 LEU A 174 -18.760 7.684 -12.382 1.00 5.48 C ATOM 2674 CD2 LEU A 174 -20.833 6.428 -12.995 1.00 5.72 C ATOM 0 H LEU A 174 -16.601 4.334 -15.535 1.00 2.83 H new ATOM 0 HA LEU A 174 -16.670 6.444 -13.482 1.00 3.69 H new ATOM 0 HB2 LEU A 174 -18.812 6.505 -14.849 1.00 4.31 H new ATOM 0 HB3 LEU A 174 -19.120 4.862 -14.324 1.00 4.31 H new ATOM 0 HG LEU A 174 -19.144 5.630 -11.964 1.00 4.98 H new ATOM 0 HD11 LEU A 174 -19.264 8.043 -11.485 1.00 5.48 H new ATOM 0 HD12 LEU A 174 -17.693 7.585 -12.183 1.00 5.48 H new ATOM 0 HD13 LEU A 174 -18.913 8.395 -13.194 1.00 5.48 H new ATOM 0 HD21 LEU A 174 -21.307 6.808 -12.090 1.00 5.72 H new ATOM 0 HD22 LEU A 174 -21.037 7.106 -13.824 1.00 5.72 H new ATOM 0 HD23 LEU A 174 -21.232 5.441 -13.227 1.00 5.72 H new ATOM 2686 N LYS A 175 -16.062 3.433 -13.475 1.00 3.42 N ATOM 2687 CA LYS A 175 -15.944 2.122 -12.850 1.00 3.88 C ATOM 2688 C LYS A 175 -14.489 1.721 -12.633 1.00 4.00 C ATOM 2689 O LYS A 175 -14.214 0.588 -12.236 1.00 4.36 O ATOM 2690 CB LYS A 175 -16.641 1.103 -13.750 1.00 4.27 C ATOM 2691 CG LYS A 175 -16.230 1.241 -15.206 1.00 4.29 C ATOM 2692 CD LYS A 175 -17.105 0.418 -16.134 1.00 4.24 C ATOM 2693 CE LYS A 175 -16.826 -1.070 -16.005 1.00 4.99 C ATOM 2694 NZ LYS A 175 -17.590 -1.863 -17.006 1.00 5.49 N ATOM 0 H LYS A 175 -15.486 3.554 -14.308 1.00 3.42 H new ATOM 0 HA LYS A 175 -16.412 2.156 -11.866 1.00 3.88 H new ATOM 0 HB2 LYS A 175 -16.408 0.096 -13.403 1.00 4.27 H new ATOM 0 HB3 LYS A 175 -17.721 1.227 -13.667 1.00 4.27 H new ATOM 0 HG2 LYS A 175 -16.282 2.290 -15.498 1.00 4.29 H new ATOM 0 HG3 LYS A 175 -15.192 0.930 -15.319 1.00 4.29 H new ATOM 0 HD2 LYS A 175 -18.154 0.611 -15.910 1.00 4.24 H new ATOM 0 HD3 LYS A 175 -16.936 0.731 -17.164 1.00 4.24 H new ATOM 0 HE2 LYS A 175 -15.759 -1.253 -16.134 1.00 4.99 H new ATOM 0 HE3 LYS A 175 -17.087 -1.403 -15.001 1.00 4.99 H new ATOM 0 HZ1 LYS A 175 -17.374 -2.873 -16.887 1.00 5.49 H new ATOM 0 HZ2 LYS A 175 -18.609 -1.708 -16.867 1.00 5.49 H new ATOM 0 HZ3 LYS A 175 -17.322 -1.562 -17.965 1.00 5.49 H new ATOM 2708 N ALA A 176 -13.574 2.659 -12.876 1.00 4.26 N ATOM 2709 CA ALA A 176 -12.134 2.397 -12.811 1.00 4.89 C ATOM 2710 C ALA A 176 -11.718 1.293 -13.783 1.00 5.36 C ATOM 2711 O ALA A 176 -11.386 1.575 -14.933 1.00 5.78 O ATOM 2712 CB ALA A 176 -11.702 2.052 -11.390 1.00 5.48 C ATOM 0 H ALA A 176 -13.808 3.621 -13.123 1.00 4.26 H new ATOM 0 HA ALA A 176 -11.625 3.313 -13.111 1.00 4.89 H new ATOM 0 HB1 ALA A 176 -10.629 1.862 -11.372 1.00 5.48 H new ATOM 0 HB2 ALA A 176 -11.935 2.885 -10.727 1.00 5.48 H new ATOM 0 HB3 ALA A 176 -12.233 1.161 -11.054 1.00 5.48 H new ATOM 2718 N ASN A 177 -11.794 0.042 -13.315 1.00 5.66 N ATOM 2719 CA ASN A 177 -11.348 -1.134 -14.067 1.00 6.40 C ATOM 2720 C ASN A 177 -9.843 -1.087 -14.319 1.00 6.79 C ATOM 2721 O ASN A 177 -9.374 -0.403 -15.225 1.00 6.94 O ATOM 2722 CB ASN A 177 -12.094 -1.271 -15.400 1.00 6.79 C ATOM 2723 CG ASN A 177 -11.778 -2.578 -16.105 1.00 7.41 C ATOM 2724 OD1 ASN A 177 -11.577 -3.614 -15.469 1.00 7.72 O ATOM 2725 ND2 ASN A 177 -11.717 -2.540 -17.424 1.00 7.88 N ATOM 0 H ASN A 177 -12.171 -0.184 -12.394 1.00 5.66 H new ATOM 0 HA ASN A 177 -11.577 -2.007 -13.456 1.00 6.40 H new ATOM 0 HB2 ASN A 177 -13.167 -1.207 -15.221 1.00 6.79 H new ATOM 0 HB3 ASN A 177 -11.829 -0.437 -16.050 1.00 6.79 H new ATOM 0 HD21 ASN A 177 -11.498 -3.387 -17.949 1.00 7.88 H new ATOM 0 HD22 ASN A 177 -11.889 -1.664 -17.917 1.00 7.88 H new ATOM 2732 N PRO A 178 -9.067 -1.813 -13.503 1.00 7.29 N ATOM 2733 CA PRO A 178 -7.607 -1.862 -13.628 1.00 8.00 C ATOM 2734 C PRO A 178 -7.166 -2.552 -14.917 1.00 8.71 C ATOM 2735 O PRO A 178 -6.988 -3.786 -14.902 1.00 9.19 O ATOM 2736 CB PRO A 178 -7.162 -2.672 -12.401 1.00 8.54 C ATOM 2737 CG PRO A 178 -8.349 -2.702 -11.494 1.00 8.16 C ATOM 2738 CD PRO A 178 -9.544 -2.647 -12.396 1.00 7.54 C ATOM 2739 OXT PRO A 178 -6.999 -1.859 -15.944 1.00 9.00 O ATOM 0 HA PRO A 178 -7.167 -0.866 -13.670 1.00 8.00 H new ATOM 0 HB2 PRO A 178 -6.859 -3.680 -12.684 1.00 8.54 H new ATOM 0 HB3 PRO A 178 -6.306 -2.207 -11.912 1.00 8.54 H new ATOM 0 HG2 PRO A 178 -8.357 -3.608 -10.887 1.00 8.16 H new ATOM 0 HG3 PRO A 178 -8.338 -1.857 -10.805 1.00 8.16 H new ATOM 0 HD2 PRO A 178 -9.843 -3.639 -12.735 1.00 7.54 H new ATOM 0 HD3 PRO A 178 -10.408 -2.206 -11.899 1.00 7.54 H new TER 2747 PRO A 178 HETATM 2748 PB GDP A 179 -8.246 -3.408 15.409 1.00 0.68 P HETATM 2749 O1B GDP A 179 -7.023 -3.187 14.576 1.00 1.61 O HETATM 2750 O2B GDP A 179 -8.189 -4.669 16.261 1.00 1.63 O HETATM 2751 O3B GDP A 179 -9.574 -3.218 14.663 1.00 1.65 O HETATM 2752 O3A GDP A 179 -8.183 -2.166 16.519 1.00 0.68 O HETATM 2753 PA GDP A 179 -8.763 -0.711 16.443 1.00 0.75 P HETATM 2754 O1A GDP A 179 -9.776 -0.476 17.503 1.00 0.87 O HETATM 2755 O2A GDP A 179 -9.112 -0.301 15.030 1.00 0.88 O HETATM 2756 O5' GDP A 179 -7.455 0.147 16.818 1.00 0.69 O HETATM 2757 C5' GDP A 179 -6.744 -0.117 18.026 1.00 0.65 C HETATM 2758 C4' GDP A 179 -5.953 1.098 18.462 1.00 0.66 C HETATM 2759 O4' GDP A 179 -5.601 1.886 17.294 1.00 0.63 O HETATM 2760 C3' GDP A 179 -6.688 2.047 19.407 1.00 0.75 C HETATM 2761 O3' GDP A 179 -5.872 2.392 20.519 1.00 0.96 O HETATM 2762 C2' GDP A 179 -7.004 3.270 18.551 1.00 0.75 C HETATM 2763 O2' GDP A 179 -6.961 4.466 19.305 1.00 0.95 O HETATM 2764 C1' GDP A 179 -5.839 3.250 17.568 1.00 0.62 C HETATM 2765 N9 GDP A 179 -6.121 3.940 16.313 1.00 0.55 N HETATM 2766 C8 GDP A 179 -7.081 3.607 15.394 1.00 0.62 C HETATM 2767 N7 GDP A 179 -7.131 4.425 14.378 1.00 0.61 N HETATM 2768 C5 GDP A 179 -6.138 5.358 14.643 1.00 0.49 C HETATM 2769 C6 GDP A 179 -5.724 6.487 13.893 1.00 0.45 C HETATM 2770 O6 GDP A 179 -6.200 6.923 12.843 1.00 0.55 O HETATM 2771 N1 GDP A 179 -4.672 7.162 14.504 1.00 0.37 N HETATM 2772 C2 GDP A 179 -4.110 6.797 15.703 1.00 0.40 C HETATM 2773 N2 GDP A 179 -3.114 7.572 16.156 1.00 0.46 N HETATM 2774 N3 GDP A 179 -4.493 5.747 16.419 1.00 0.45 N HETATM 2775 C4 GDP A 179 -5.501 5.074 15.831 1.00 0.46 C HETATM 0 HO3' GDP A 179 -5.865 3.366 20.630 1.00 0.96 H new HETATM 0 HO2' GDP A 179 -7.167 5.227 18.723 1.00 0.95 H new HETATM 0 HN22 GDP A 179 -2.658 7.351 17.041 1.00 0.46 H new HETATM 0 HN21 GDP A 179 -2.813 8.383 15.616 1.00 0.46 H new HETATM 0 H5'' GDP A 179 -7.445 -0.401 18.811 1.00 0.65 H new HETATM 0 HN1 GDP A 179 -4.293 7.982 14.030 1.00 0.37 H new HETATM 0 H8 GDP A 179 -7.738 2.744 15.501 1.00 0.62 H new HETATM 0 H5' GDP A 179 -6.070 -0.961 17.880 1.00 0.65 H new HETATM 0 H4' GDP A 179 -5.095 0.691 18.996 1.00 0.66 H new HETATM 0 H3' GDP A 179 -7.587 1.598 19.829 1.00 0.75 H new HETATM 0 H2' GDP A 179 -7.998 3.239 18.105 1.00 0.75 H new HETATM 0 H1' GDP A 179 -4.988 3.769 18.009 1.00 0.62 H new