USER MOD reduce.3.24.130724 H: found=0, std=0, add=1396, rem=0, adj=48 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 151:sc= 1.02 USER MOD Set 1.2: A 154 THR OG1 : rot -150:sc= 0.721 USER MOD Set 2.1: A 104 LYS NZ :NH3+ 149:sc= -1.5 (180deg=-3.82!) USER MOD Set 2.2: A 107 ASN : amide:sc= -0.11 K(o=-1.6,f=-6!) USER MOD Set 3.1: A 71 MET CE :methyl 140:sc= -0.177 (180deg=-2.26!) USER MOD Set 3.2: A 102 HIS : no HE2:sc= -2.16! C(o=-2.3!,f=-4.2!) USER MOD Set 4.1: A 31 SER OG : rot 96:sc= 0.0984 USER MOD Set 4.2: A 32 LYS NZ :NH3+ -168:sc= -0.441 (180deg=-0.728) USER MOD Set 5.1: A 21 LYS NZ :NH3+ -175:sc= 1.24 (180deg=-0.0793) USER MOD Set 5.2: A 95 GLN : amide:sc= -0.691 K(o=0.54,f=-7.9!) USER MOD Set 6.1: A 16 HIS :FLIP no HE2:sc= -7.4! C(o=-20!,f=-19!) USER MOD Set 6.2: A 19 HIS : no HD1:sc= -7.61! C(o=-19!,f=-32!) USER MOD Set 6.3: A 96 THR OG1 : rot -154:sc= -4.08! USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0849 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.0283 X(o=-0.028,f=-0.028) USER MOD Single : A 4 MET CE :methyl 162:sc= -0.095 (180deg=-0.505) USER MOD Single : A 12 THR OG1 : rot -53:sc= 1.08 USER MOD Single : A 14 MET CE :methyl -161:sc= -2.92! (180deg=-4.52!) USER MOD Single : A 22 THR OG1 : rot 76:sc= 0.081 USER MOD Single : A 23 THR OG1 : rot -127:sc= -1.37! USER MOD Single : A 30 HIS : no HE2:sc= 1.09 K(o=1.1,f=-4!) USER MOD Single : A 34 THR OG1 : rot -121:sc= 0.309 USER MOD Single : A 36 GLN : amide:sc= 1.13 K(o=1.1,f=-0.041) USER MOD Single : A 42 THR OG1 : rot -19:sc= 0.889 USER MOD Single : A 43 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 44 HIS : no HD1:sc= -0.402 X(o=-0.4,f=-0.58) USER MOD Single : A 48 TYR OH : rot -120:sc= -1.51! USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.091 USER MOD Single : A 53 ASN : amide:sc= -0.511! C(o=-0.51!,f=-14!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 179:sc= 0.922 (180deg=0.91) USER MOD Single : A 58 THR OG1 : rot 180:sc= -2.24! USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -0.475 X(o=-0.47,f=-0.098) USER MOD Single : A 69 THR OG1 : rot -157:sc= 1.23 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.209 USER MOD Single : A 77 GLN :FLIP amide:sc= -0.167 F(o=-0.74,f=-0.17) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0376 USER MOD Single : A 93 MET CE :methyl -157:sc= -0.0605 (180deg=-0.562) USER MOD Single : A 101 ASN : amide:sc= -2.89! C(o=-2.9!,f=-2.4!) USER MOD Single : A 115 ASN : amide:sc= -10.1! C(o=-10!,f=-15!) USER MOD Single : A 116 LYS NZ :NH3+ -161:sc= 1.9 (180deg=1.44) USER MOD Single : A 117 MET CE :methyl -118:sc= -2.64! (180deg=-7.28!) USER MOD Single : A 119 LYS NZ :NH3+ 175:sc= 1.27 (180deg=1.22) USER MOD Single : A 123 ASN :FLIP amide:sc= -0.0978 F(o=-0.96,f=-0.098) USER MOD Single : A 128 MET CE :methyl 133:sc= -2.26! (180deg=-7.4!) USER MOD Single : A 129 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 132 MET CE :methyl -157:sc= -0.398 (180deg=-1.72!) USER MOD Single : A 134 TYR OH : rot 180:sc=-0.00906 USER MOD Single : A 135 ASN : amide:sc= -0.197 K(o=-0.2,f=-1.1) USER MOD Single : A 145 THR OG1 : rot -11:sc= 0.746 USER MOD Single : A 148 CYS SG : rot 150:sc=-0.00968 USER MOD Single : A 149 LYS NZ :NH3+ -176:sc= 0.0826 (180deg=0.0221) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 170:sc= 0.553 (180deg=0.26) USER MOD Single : A 160 HIS : no HD1:sc= -0.306 K(o=-0.31,f=-1.2) USER MOD Single : A 164 MET CE :methyl -141:sc= -1.13 (180deg=-3.51!) USER MOD Single : A 169 SER OG : rot 66:sc= 0.989 USER MOD Single : A 171 MET CE :methyl -128:sc= -0.67 (180deg=-1.51!) USER MOD Single : A 175 LYS NZ :NH3+ 158:sc= -0.0981 (180deg=-0.469) USER MOD Single : A 177 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 179 GDP O2' : rot 2:sc= 0.332 USER MOD Single : A 179 GDP O3' : rot 180:sc= 0.238 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.511 -14.883 -15.853 1.00 11.58 N ATOM 2 CA GLY A 1 -24.654 -14.583 -16.748 1.00 11.11 C ATOM 3 C GLY A 1 -25.103 -13.142 -16.632 1.00 10.21 C ATOM 4 O GLY A 1 -24.674 -12.427 -15.727 1.00 9.82 O ATOM 0 H1 GLY A 1 -22.688 -15.166 -16.423 1.00 11.58 H new ATOM 0 H2 GLY A 1 -23.273 -14.036 -15.298 1.00 11.58 H new ATOM 0 H3 GLY A 1 -23.768 -15.658 -15.209 1.00 11.58 H new ATOM 0 HA2 GLY A 1 -24.371 -14.793 -17.780 1.00 11.11 H new ATOM 0 HA3 GLY A 1 -25.487 -15.243 -16.506 1.00 11.11 H new ATOM 10 N SER A 2 -25.976 -12.717 -17.537 1.00 10.08 N ATOM 11 CA SER A 2 -26.453 -11.344 -17.562 1.00 9.47 C ATOM 12 C SER A 2 -27.577 -11.134 -16.549 1.00 8.68 C ATOM 13 O SER A 2 -28.720 -10.848 -16.911 1.00 8.69 O ATOM 14 CB SER A 2 -26.929 -10.986 -18.970 1.00 9.96 C ATOM 15 OG SER A 2 -25.886 -11.174 -19.916 1.00 10.61 O ATOM 0 H SER A 2 -26.369 -13.310 -18.268 1.00 10.08 H new ATOM 0 HA SER A 2 -25.628 -10.687 -17.286 1.00 9.47 H new ATOM 0 HB2 SER A 2 -27.785 -11.605 -19.238 1.00 9.96 H new ATOM 0 HB3 SER A 2 -27.265 -9.949 -18.993 1.00 9.96 H new ATOM 0 HG SER A 2 -26.210 -10.941 -20.811 1.00 10.61 H new ATOM 21 N HIS A 3 -27.242 -11.288 -15.276 1.00 8.25 N ATOM 22 CA HIS A 3 -28.197 -11.079 -14.197 1.00 7.71 C ATOM 23 C HIS A 3 -27.607 -10.090 -13.196 1.00 6.90 C ATOM 24 O HIS A 3 -27.911 -10.110 -12.004 1.00 6.93 O ATOM 25 CB HIS A 3 -28.532 -12.415 -13.521 1.00 8.30 C ATOM 26 CG HIS A 3 -29.791 -12.395 -12.706 1.00 8.89 C ATOM 27 ND1 HIS A 3 -29.827 -12.699 -11.362 1.00 9.51 N ATOM 28 CD2 HIS A 3 -31.073 -12.131 -13.058 1.00 9.23 C ATOM 29 CE1 HIS A 3 -31.067 -12.623 -10.926 1.00 10.14 C ATOM 30 NE2 HIS A 3 -31.841 -12.281 -11.933 1.00 9.99 N ATOM 0 H HIS A 3 -26.310 -11.559 -14.964 1.00 8.25 H new ATOM 0 HA HIS A 3 -29.124 -10.667 -14.597 1.00 7.71 H new ATOM 0 HB2 HIS A 3 -28.621 -13.185 -14.288 1.00 8.30 H new ATOM 0 HB3 HIS A 3 -27.701 -12.702 -12.877 1.00 8.30 H new ATOM 0 HD2 HIS A 3 -31.424 -11.854 -14.041 1.00 9.23 H new ATOM 0 HE1 HIS A 3 -31.393 -12.810 -9.914 1.00 10.14 H new ATOM 0 HE2 HIS A 3 -32.851 -12.149 -11.884 1.00 9.99 H new ATOM 39 N MET A 4 -26.742 -9.230 -13.717 1.00 6.50 N ATOM 40 CA MET A 4 -26.079 -8.208 -12.922 1.00 6.05 C ATOM 41 C MET A 4 -25.685 -7.040 -13.820 1.00 5.19 C ATOM 42 O MET A 4 -25.212 -7.242 -14.943 1.00 5.17 O ATOM 43 CB MET A 4 -24.836 -8.785 -12.226 1.00 6.67 C ATOM 44 CG MET A 4 -23.769 -9.289 -13.192 1.00 7.26 C ATOM 45 SD MET A 4 -22.315 -9.954 -12.354 1.00 8.18 S ATOM 46 CE MET A 4 -23.019 -11.375 -11.522 1.00 8.77 C ATOM 0 H MET A 4 -26.481 -9.222 -14.703 1.00 6.50 H new ATOM 0 HA MET A 4 -26.767 -7.857 -12.153 1.00 6.05 H new ATOM 0 HB2 MET A 4 -24.400 -8.018 -11.586 1.00 6.67 H new ATOM 0 HB3 MET A 4 -25.142 -9.605 -11.577 1.00 6.67 H new ATOM 0 HG2 MET A 4 -24.199 -10.062 -13.829 1.00 7.26 H new ATOM 0 HG3 MET A 4 -23.463 -8.472 -13.845 1.00 7.26 H new ATOM 0 HE1 MET A 4 -22.221 -12.059 -11.233 1.00 8.77 H new ATOM 0 HE2 MET A 4 -23.556 -11.047 -10.632 1.00 8.77 H new ATOM 0 HE3 MET A 4 -23.709 -11.885 -12.194 1.00 8.77 H new ATOM 56 N VAL A 5 -25.909 -5.826 -13.350 1.00 4.89 N ATOM 57 CA VAL A 5 -25.548 -4.639 -14.117 1.00 4.47 C ATOM 58 C VAL A 5 -24.954 -3.563 -13.205 1.00 4.02 C ATOM 59 O VAL A 5 -24.206 -2.694 -13.655 1.00 4.26 O ATOM 60 CB VAL A 5 -26.764 -4.078 -14.900 1.00 5.11 C ATOM 61 CG1 VAL A 5 -27.854 -3.594 -13.960 1.00 5.46 C ATOM 62 CG2 VAL A 5 -26.340 -2.966 -15.849 1.00 5.74 C ATOM 0 H VAL A 5 -26.337 -5.632 -12.445 1.00 4.89 H new ATOM 0 HA VAL A 5 -24.791 -4.934 -14.843 1.00 4.47 H new ATOM 0 HB VAL A 5 -27.173 -4.895 -15.494 1.00 5.11 H new ATOM 0 HG11 VAL A 5 -28.691 -3.207 -14.542 1.00 5.46 H new ATOM 0 HG12 VAL A 5 -28.195 -4.424 -13.341 1.00 5.46 H new ATOM 0 HG13 VAL A 5 -27.460 -2.803 -13.322 1.00 5.46 H new ATOM 0 HG21 VAL A 5 -27.213 -2.592 -16.384 1.00 5.74 H new ATOM 0 HG22 VAL A 5 -25.888 -2.154 -15.279 1.00 5.74 H new ATOM 0 HG23 VAL A 5 -25.615 -3.355 -16.564 1.00 5.74 H new ATOM 72 N GLU A 6 -25.279 -3.629 -11.919 1.00 3.71 N ATOM 73 CA GLU A 6 -24.709 -2.715 -10.943 1.00 3.56 C ATOM 74 C GLU A 6 -23.457 -3.339 -10.334 1.00 3.07 C ATOM 75 O GLU A 6 -23.522 -4.412 -9.732 1.00 3.23 O ATOM 76 CB GLU A 6 -25.727 -2.398 -9.847 1.00 4.14 C ATOM 77 CG GLU A 6 -25.389 -1.153 -9.043 1.00 4.54 C ATOM 78 CD GLU A 6 -25.542 0.115 -9.856 1.00 5.11 C ATOM 79 OE1 GLU A 6 -24.624 0.431 -10.643 1.00 5.70 O ATOM 80 OE2 GLU A 6 -26.569 0.812 -9.703 1.00 5.29 O ATOM 0 H GLU A 6 -25.935 -4.307 -11.530 1.00 3.71 H new ATOM 0 HA GLU A 6 -24.443 -1.783 -11.442 1.00 3.56 H new ATOM 0 HB2 GLU A 6 -26.710 -2.271 -10.301 1.00 4.14 H new ATOM 0 HB3 GLU A 6 -25.796 -3.250 -9.170 1.00 4.14 H new ATOM 0 HG2 GLU A 6 -26.037 -1.101 -8.168 1.00 4.54 H new ATOM 0 HG3 GLU A 6 -24.365 -1.226 -8.677 1.00 4.54 H new ATOM 87 N ARG A 7 -22.318 -2.682 -10.502 1.00 2.85 N ATOM 88 CA ARG A 7 -21.052 -3.219 -10.020 1.00 2.62 C ATOM 89 C ARG A 7 -20.414 -2.315 -8.975 1.00 2.19 C ATOM 90 O ARG A 7 -19.674 -1.388 -9.314 1.00 2.44 O ATOM 91 CB ARG A 7 -20.075 -3.403 -11.182 1.00 3.27 C ATOM 92 CG ARG A 7 -20.577 -4.320 -12.282 1.00 3.86 C ATOM 93 CD ARG A 7 -19.580 -4.402 -13.424 1.00 4.69 C ATOM 94 NE ARG A 7 -19.249 -3.078 -13.953 1.00 5.27 N ATOM 95 CZ ARG A 7 -19.763 -2.584 -15.078 1.00 6.08 C ATOM 96 NH1 ARG A 7 -20.637 -3.296 -15.776 1.00 6.40 N ATOM 97 NH2 ARG A 7 -19.405 -1.381 -15.500 1.00 6.85 N ATOM 0 H ARG A 7 -22.244 -1.778 -10.968 1.00 2.85 H new ATOM 0 HA ARG A 7 -21.268 -4.182 -9.558 1.00 2.62 H new ATOM 0 HB2 ARG A 7 -19.853 -2.427 -11.612 1.00 3.27 H new ATOM 0 HB3 ARG A 7 -19.138 -3.801 -10.793 1.00 3.27 H new ATOM 0 HG2 ARG A 7 -20.753 -5.316 -11.877 1.00 3.86 H new ATOM 0 HG3 ARG A 7 -21.533 -3.955 -12.656 1.00 3.86 H new ATOM 0 HD2 ARG A 7 -18.670 -4.893 -13.078 1.00 4.69 H new ATOM 0 HD3 ARG A 7 -19.992 -5.020 -14.222 1.00 4.69 H new ATOM 0 HE ARG A 7 -18.588 -2.502 -13.431 1.00 5.27 H new ATOM 0 HH11 ARG A 7 -20.916 -4.222 -15.451 1.00 6.40 H new ATOM 0 HH12 ARG A 7 -21.031 -2.918 -16.638 1.00 6.40 H new ATOM 0 HH21 ARG A 7 -18.734 -0.831 -14.963 1.00 6.85 H new ATOM 0 HH22 ARG A 7 -19.800 -1.004 -16.362 1.00 6.85 H new ATOM 111 N PRO A 8 -20.699 -2.559 -7.689 1.00 2.01 N ATOM 112 CA PRO A 8 -20.029 -1.883 -6.593 1.00 2.04 C ATOM 113 C PRO A 8 -18.726 -2.594 -6.235 1.00 1.71 C ATOM 114 O PRO A 8 -18.748 -3.704 -5.696 1.00 1.69 O ATOM 115 CB PRO A 8 -21.036 -1.980 -5.434 1.00 2.57 C ATOM 116 CG PRO A 8 -22.172 -2.828 -5.931 1.00 2.80 C ATOM 117 CD PRO A 8 -21.704 -3.495 -7.194 1.00 2.42 C ATOM 0 HA PRO A 8 -19.757 -0.855 -6.834 1.00 2.04 H new ATOM 0 HB2 PRO A 8 -20.574 -2.427 -4.554 1.00 2.57 H new ATOM 0 HB3 PRO A 8 -21.388 -0.991 -5.142 1.00 2.57 H new ATOM 0 HG2 PRO A 8 -22.454 -3.571 -5.185 1.00 2.80 H new ATOM 0 HG3 PRO A 8 -23.054 -2.217 -6.122 1.00 2.80 H new ATOM 0 HD2 PRO A 8 -21.281 -4.481 -7.000 1.00 2.42 H new ATOM 0 HD3 PRO A 8 -22.517 -3.632 -7.907 1.00 2.42 H new ATOM 125 N PRO A 9 -17.573 -1.982 -6.546 1.00 1.83 N ATOM 126 CA PRO A 9 -16.266 -2.588 -6.286 1.00 1.84 C ATOM 127 C PRO A 9 -16.048 -2.848 -4.802 1.00 1.40 C ATOM 128 O PRO A 9 -16.219 -1.948 -3.970 1.00 1.72 O ATOM 129 CB PRO A 9 -15.266 -1.548 -6.800 1.00 2.47 C ATOM 130 CG PRO A 9 -16.030 -0.273 -6.882 1.00 2.76 C ATOM 131 CD PRO A 9 -17.450 -0.658 -7.173 1.00 2.36 C ATOM 0 HA PRO A 9 -16.164 -3.558 -6.772 1.00 1.84 H new ATOM 0 HB2 PRO A 9 -14.415 -1.454 -6.125 1.00 2.47 H new ATOM 0 HB3 PRO A 9 -14.870 -1.832 -7.775 1.00 2.47 H new ATOM 0 HG2 PRO A 9 -15.961 0.284 -5.948 1.00 2.76 H new ATOM 0 HG3 PRO A 9 -15.632 0.370 -7.667 1.00 2.76 H new ATOM 0 HD2 PRO A 9 -18.156 0.056 -6.749 1.00 2.36 H new ATOM 0 HD3 PRO A 9 -17.645 -0.700 -8.245 1.00 2.36 H new ATOM 139 N VAL A 10 -15.673 -4.075 -4.475 1.00 1.18 N ATOM 140 CA VAL A 10 -15.469 -4.456 -3.089 1.00 0.94 C ATOM 141 C VAL A 10 -14.048 -4.136 -2.646 1.00 0.94 C ATOM 142 O VAL A 10 -13.171 -4.999 -2.613 1.00 1.76 O ATOM 143 CB VAL A 10 -15.799 -5.947 -2.839 1.00 1.25 C ATOM 144 CG1 VAL A 10 -17.301 -6.157 -2.857 1.00 1.90 C ATOM 145 CG2 VAL A 10 -15.127 -6.849 -3.865 1.00 2.00 C ATOM 0 H VAL A 10 -15.504 -4.821 -5.150 1.00 1.18 H new ATOM 0 HA VAL A 10 -16.163 -3.868 -2.488 1.00 0.94 H new ATOM 0 HB VAL A 10 -15.410 -6.217 -1.857 1.00 1.25 H new ATOM 0 HG11 VAL A 10 -17.523 -7.209 -2.680 1.00 1.90 H new ATOM 0 HG12 VAL A 10 -17.762 -5.552 -2.076 1.00 1.90 H new ATOM 0 HG13 VAL A 10 -17.698 -5.860 -3.828 1.00 1.90 H new ATOM 0 HG21 VAL A 10 -15.381 -7.888 -3.658 1.00 2.00 H new ATOM 0 HG22 VAL A 10 -15.472 -6.583 -4.864 1.00 2.00 H new ATOM 0 HG23 VAL A 10 -14.046 -6.722 -3.809 1.00 2.00 H new ATOM 155 N VAL A 11 -13.827 -2.873 -2.327 1.00 0.62 N ATOM 156 CA VAL A 11 -12.529 -2.418 -1.868 1.00 0.61 C ATOM 157 C VAL A 11 -12.285 -2.910 -0.447 1.00 0.62 C ATOM 158 O VAL A 11 -12.562 -2.206 0.531 1.00 0.93 O ATOM 159 CB VAL A 11 -12.412 -0.879 -1.921 1.00 0.76 C ATOM 160 CG1 VAL A 11 -11.019 -0.428 -1.503 1.00 1.35 C ATOM 161 CG2 VAL A 11 -12.745 -0.368 -3.316 1.00 0.95 C ATOM 0 H VAL A 11 -14.535 -2.141 -2.378 1.00 0.62 H new ATOM 0 HA VAL A 11 -11.773 -2.831 -2.536 1.00 0.61 H new ATOM 0 HB VAL A 11 -13.130 -0.457 -1.218 1.00 0.76 H new ATOM 0 HG11 VAL A 11 -10.960 0.659 -1.548 1.00 1.35 H new ATOM 0 HG12 VAL A 11 -10.819 -0.760 -0.484 1.00 1.35 H new ATOM 0 HG13 VAL A 11 -10.279 -0.860 -2.177 1.00 1.35 H new ATOM 0 HG21 VAL A 11 -12.658 0.718 -3.336 1.00 0.95 H new ATOM 0 HG22 VAL A 11 -12.052 -0.801 -4.037 1.00 0.95 H new ATOM 0 HG23 VAL A 11 -13.764 -0.655 -3.575 1.00 0.95 H new ATOM 171 N THR A 12 -11.799 -4.137 -0.342 1.00 0.44 N ATOM 172 CA THR A 12 -11.528 -4.741 0.947 1.00 0.45 C ATOM 173 C THR A 12 -10.469 -3.951 1.692 1.00 0.41 C ATOM 174 O THR A 12 -9.396 -3.671 1.155 1.00 0.50 O ATOM 175 CB THR A 12 -11.054 -6.200 0.810 1.00 0.54 C ATOM 176 OG1 THR A 12 -11.952 -6.939 -0.035 1.00 0.61 O ATOM 177 CG2 THR A 12 -10.984 -6.870 2.178 1.00 0.64 C ATOM 0 H THR A 12 -11.584 -4.734 -1.140 1.00 0.44 H new ATOM 0 HA THR A 12 -12.465 -4.730 1.504 1.00 0.45 H new ATOM 0 HB THR A 12 -10.060 -6.193 0.363 1.00 0.54 H new ATOM 0 HG1 THR A 12 -12.868 -6.843 0.299 1.00 0.61 H new ATOM 0 HG21 THR A 12 -10.647 -7.900 2.062 1.00 0.64 H new ATOM 0 HG22 THR A 12 -10.283 -6.328 2.813 1.00 0.64 H new ATOM 0 HG23 THR A 12 -11.972 -6.861 2.639 1.00 0.64 H new ATOM 185 N ILE A 13 -10.782 -3.572 2.916 1.00 0.40 N ATOM 186 CA ILE A 13 -9.816 -2.902 3.751 1.00 0.40 C ATOM 187 C ILE A 13 -9.087 -3.944 4.590 1.00 0.37 C ATOM 188 O ILE A 13 -9.700 -4.829 5.191 1.00 0.52 O ATOM 189 CB ILE A 13 -10.474 -1.830 4.653 1.00 0.52 C ATOM 190 CG1 ILE A 13 -9.410 -0.908 5.253 1.00 1.15 C ATOM 191 CG2 ILE A 13 -11.283 -2.482 5.759 1.00 1.26 C ATOM 192 CD1 ILE A 13 -9.983 0.246 6.047 1.00 1.30 C ATOM 0 H ILE A 13 -11.694 -3.718 3.349 1.00 0.40 H new ATOM 0 HA ILE A 13 -9.106 -2.377 3.112 1.00 0.40 H new ATOM 0 HB ILE A 13 -11.147 -1.234 4.036 1.00 0.52 H new ATOM 0 HG12 ILE A 13 -8.757 -1.494 5.900 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -8.790 -0.512 4.449 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -11.737 -1.711 6.381 1.00 1.26 H new ATOM 0 HG22 ILE A 13 -12.065 -3.101 5.321 1.00 1.26 H new ATOM 0 HG23 ILE A 13 -10.629 -3.103 6.371 1.00 1.26 H new ATOM 0 HD11 ILE A 13 -9.170 0.856 6.441 1.00 1.30 H new ATOM 0 HD12 ILE A 13 -10.613 0.856 5.399 1.00 1.30 H new ATOM 0 HD13 ILE A 13 -10.580 -0.141 6.873 1.00 1.30 H new ATOM 204 N MET A 14 -7.778 -3.874 4.575 1.00 0.26 N ATOM 205 CA MET A 14 -6.948 -4.802 5.295 1.00 0.28 C ATOM 206 C MET A 14 -5.734 -4.083 5.842 1.00 0.24 C ATOM 207 O MET A 14 -5.642 -2.863 5.768 1.00 0.29 O ATOM 208 CB MET A 14 -6.510 -5.950 4.386 1.00 0.36 C ATOM 209 CG MET A 14 -7.533 -7.071 4.271 1.00 0.49 C ATOM 210 SD MET A 14 -6.831 -8.607 3.624 1.00 0.79 S ATOM 211 CE MET A 14 -6.365 -8.122 1.965 1.00 0.69 C ATOM 0 H MET A 14 -7.257 -3.165 4.058 1.00 0.26 H new ATOM 0 HA MET A 14 -7.524 -5.218 6.121 1.00 0.28 H new ATOM 0 HB2 MET A 14 -6.305 -5.555 3.391 1.00 0.36 H new ATOM 0 HB3 MET A 14 -5.574 -6.363 4.764 1.00 0.36 H new ATOM 0 HG2 MET A 14 -7.966 -7.262 5.253 1.00 0.49 H new ATOM 0 HG3 MET A 14 -8.346 -6.748 3.621 1.00 0.49 H new ATOM 0 HE1 MET A 14 -6.240 -9.011 1.348 1.00 0.69 H new ATOM 0 HE2 MET A 14 -7.144 -7.491 1.538 1.00 0.69 H new ATOM 0 HE3 MET A 14 -5.427 -7.568 1.998 1.00 0.69 H new ATOM 221 N GLY A 15 -4.802 -4.841 6.376 1.00 0.27 N ATOM 222 CA GLY A 15 -3.637 -4.265 6.970 1.00 0.27 C ATOM 223 C GLY A 15 -3.408 -4.831 8.341 1.00 0.24 C ATOM 224 O GLY A 15 -3.910 -5.912 8.650 1.00 0.31 O ATOM 0 H GLY A 15 -4.837 -5.860 6.406 1.00 0.27 H new ATOM 0 HA2 GLY A 15 -2.768 -4.459 6.341 1.00 0.27 H new ATOM 0 HA3 GLY A 15 -3.751 -3.183 7.032 1.00 0.27 H new ATOM 228 N HIS A 16 -2.671 -4.122 9.164 1.00 0.20 N ATOM 229 CA HIS A 16 -2.424 -4.592 10.514 1.00 0.17 C ATOM 230 C HIS A 16 -3.476 -4.066 11.481 1.00 0.19 C ATOM 231 O HIS A 16 -4.142 -3.058 11.233 1.00 0.22 O ATOM 232 CB HIS A 16 -1.030 -4.192 10.997 1.00 0.17 C ATOM 233 CG HIS A 16 -0.626 -4.865 12.273 1.00 0.16 C ATOM 234 ND1 HIS A 16 -0.203 -4.315 13.428 1.00 0.16 N flip ATOM 235 CD2 HIS A 16 -0.691 -6.228 12.427 1.00 0.19 C flip ATOM 236 CE1 HIS A 16 -0.003 -5.336 14.316 1.00 0.19 C flip ATOM 237 NE2 HIS A 16 -0.311 -6.467 13.671 1.00 0.22 N flip ATOM 0 H HIS A 16 -2.236 -3.229 8.931 1.00 0.20 H new ATOM 0 HA HIS A 16 -2.483 -5.680 10.490 1.00 0.17 H new ATOM 0 HB2 HIS A 16 -0.302 -4.433 10.222 1.00 0.17 H new ATOM 0 HB3 HIS A 16 -0.999 -3.112 11.139 1.00 0.17 H new ATOM 0 HD1 HIS A 16 -0.059 -3.321 13.607 1.00 0.16 H new ATOM 0 HD2 HIS A 16 -0.990 -6.954 11.686 1.00 0.19 H new ATOM 0 HE1 HIS A 16 0.337 -5.247 15.337 1.00 0.19 H new ATOM 245 N VAL A 17 -3.617 -4.785 12.573 1.00 0.20 N ATOM 246 CA VAL A 17 -4.485 -4.403 13.668 1.00 0.25 C ATOM 247 C VAL A 17 -3.865 -3.246 14.442 1.00 0.26 C ATOM 248 O VAL A 17 -2.654 -3.061 14.397 1.00 0.25 O ATOM 249 CB VAL A 17 -4.694 -5.620 14.581 1.00 0.29 C ATOM 250 CG1 VAL A 17 -3.356 -6.167 15.045 1.00 0.30 C ATOM 251 CG2 VAL A 17 -5.547 -5.309 15.777 1.00 0.36 C ATOM 0 H VAL A 17 -3.125 -5.665 12.729 1.00 0.20 H new ATOM 0 HA VAL A 17 -5.450 -4.074 13.284 1.00 0.25 H new ATOM 0 HB VAL A 17 -5.220 -6.368 13.987 1.00 0.29 H new ATOM 0 HG11 VAL A 17 -3.520 -7.029 15.691 1.00 0.30 H new ATOM 0 HG12 VAL A 17 -2.766 -6.469 14.179 1.00 0.30 H new ATOM 0 HG13 VAL A 17 -2.820 -5.396 15.598 1.00 0.30 H new ATOM 0 HG21 VAL A 17 -5.661 -6.206 16.386 1.00 0.36 H new ATOM 0 HG22 VAL A 17 -5.072 -4.526 16.369 1.00 0.36 H new ATOM 0 HG23 VAL A 17 -6.528 -4.969 15.446 1.00 0.36 H new ATOM 261 N ASP A 18 -4.703 -2.448 15.110 1.00 0.31 N ATOM 262 CA ASP A 18 -4.249 -1.267 15.853 1.00 0.36 C ATOM 263 C ASP A 18 -3.894 -0.133 14.893 1.00 0.34 C ATOM 264 O ASP A 18 -3.844 1.036 15.275 1.00 0.41 O ATOM 265 CB ASP A 18 -3.065 -1.618 16.764 1.00 0.42 C ATOM 266 CG ASP A 18 -2.469 -0.413 17.468 1.00 0.55 C ATOM 267 OD1 ASP A 18 -3.026 0.009 18.505 1.00 0.69 O ATOM 268 OD2 ASP A 18 -1.432 0.107 16.997 1.00 0.59 O ATOM 0 H ASP A 18 -5.711 -2.601 15.152 1.00 0.31 H new ATOM 0 HA ASP A 18 -5.065 -0.925 16.489 1.00 0.36 H new ATOM 0 HB2 ASP A 18 -3.393 -2.341 17.511 1.00 0.42 H new ATOM 0 HB3 ASP A 18 -2.290 -2.103 16.170 1.00 0.42 H new ATOM 273 N HIS A 19 -3.668 -0.483 13.632 1.00 0.29 N ATOM 274 CA HIS A 19 -3.501 0.515 12.592 1.00 0.32 C ATOM 275 C HIS A 19 -4.877 0.953 12.118 1.00 0.43 C ATOM 276 O HIS A 19 -5.012 1.843 11.288 1.00 0.63 O ATOM 277 CB HIS A 19 -2.680 -0.021 11.414 1.00 0.29 C ATOM 278 CG HIS A 19 -1.345 -0.570 11.789 1.00 0.22 C ATOM 279 ND1 HIS A 19 -0.428 -0.928 10.834 1.00 0.27 N ATOM 280 CD2 HIS A 19 -0.818 -0.799 13.015 1.00 0.21 C ATOM 281 CE1 HIS A 19 0.627 -1.362 11.493 1.00 0.26 C ATOM 282 NE2 HIS A 19 0.434 -1.304 12.813 1.00 0.24 N ATOM 0 H HIS A 19 -3.597 -1.448 13.310 1.00 0.29 H new ATOM 0 HA HIS A 19 -2.953 1.362 13.003 1.00 0.32 H new ATOM 0 HB2 HIS A 19 -3.253 -0.802 10.914 1.00 0.29 H new ATOM 0 HB3 HIS A 19 -2.538 0.782 10.691 1.00 0.29 H new ATOM 0 HD2 HIS A 19 -1.295 -0.618 13.967 1.00 0.21 H new ATOM 0 HE1 HIS A 19 1.533 -1.719 11.025 1.00 0.26 H new ATOM 0 HE2 HIS A 19 1.098 -1.584 13.535 1.00 0.24 H new ATOM 290 N GLY A 20 -5.903 0.297 12.644 1.00 0.42 N ATOM 291 CA GLY A 20 -7.252 0.738 12.400 1.00 0.54 C ATOM 292 C GLY A 20 -8.057 -0.196 11.527 1.00 0.57 C ATOM 293 O GLY A 20 -8.707 0.257 10.590 1.00 0.79 O ATOM 0 H GLY A 20 -5.820 -0.531 13.234 1.00 0.42 H new ATOM 0 HA2 GLY A 20 -7.763 0.856 13.356 1.00 0.54 H new ATOM 0 HA3 GLY A 20 -7.222 1.721 11.931 1.00 0.54 H new ATOM 297 N LYS A 21 -8.020 -1.493 11.822 1.00 0.61 N ATOM 298 CA LYS A 21 -8.842 -2.453 11.102 1.00 0.95 C ATOM 299 C LYS A 21 -10.309 -2.015 11.049 1.00 0.89 C ATOM 300 O LYS A 21 -10.839 -1.702 9.984 1.00 1.05 O ATOM 301 CB LYS A 21 -8.743 -3.809 11.775 1.00 1.36 C ATOM 302 CG LYS A 21 -8.671 -4.953 10.794 1.00 1.79 C ATOM 303 CD LYS A 21 -7.377 -4.900 10.008 1.00 2.30 C ATOM 304 CE LYS A 21 -7.355 -5.945 8.911 1.00 2.66 C ATOM 305 NZ LYS A 21 -7.461 -7.327 9.449 1.00 3.31 N ATOM 0 H LYS A 21 -7.432 -1.898 12.551 1.00 0.61 H new ATOM 0 HA LYS A 21 -8.472 -2.512 10.079 1.00 0.95 H new ATOM 0 HB2 LYS A 21 -7.859 -3.828 12.412 1.00 1.36 H new ATOM 0 HB3 LYS A 21 -9.607 -3.949 12.425 1.00 1.36 H new ATOM 0 HG2 LYS A 21 -8.741 -5.901 11.327 1.00 1.79 H new ATOM 0 HG3 LYS A 21 -9.520 -4.908 10.111 1.00 1.79 H new ATOM 0 HD2 LYS A 21 -7.255 -3.909 9.571 1.00 2.30 H new ATOM 0 HD3 LYS A 21 -6.534 -5.058 10.681 1.00 2.30 H new ATOM 0 HE2 LYS A 21 -8.178 -5.762 8.221 1.00 2.66 H new ATOM 0 HE3 LYS A 21 -6.432 -5.849 8.339 1.00 2.66 H new ATOM 0 HZ1 LYS A 21 -7.357 -8.011 8.672 1.00 3.31 H new ATOM 0 HZ2 LYS A 21 -6.711 -7.484 10.152 1.00 3.31 H new ATOM 0 HZ3 LYS A 21 -8.390 -7.454 9.900 1.00 3.31 H new ATOM 319 N THR A 22 -10.955 -1.992 12.206 1.00 0.84 N ATOM 320 CA THR A 22 -12.365 -1.644 12.293 1.00 0.87 C ATOM 321 C THR A 22 -12.551 -0.154 12.596 1.00 0.79 C ATOM 322 O THR A 22 -13.527 0.465 12.164 1.00 0.79 O ATOM 323 CB THR A 22 -13.055 -2.494 13.381 1.00 1.02 C ATOM 324 OG1 THR A 22 -12.717 -3.875 13.195 1.00 1.21 O ATOM 325 CG2 THR A 22 -14.565 -2.337 13.333 1.00 1.18 C ATOM 0 H THR A 22 -10.521 -2.212 13.103 1.00 0.84 H new ATOM 0 HA THR A 22 -12.824 -1.854 11.327 1.00 0.87 H new ATOM 0 HB THR A 22 -12.705 -2.147 14.353 1.00 1.02 H new ATOM 0 HG1 THR A 22 -11.799 -4.031 13.501 1.00 1.21 H new ATOM 0 HG21 THR A 22 -15.019 -2.949 14.112 1.00 1.18 H new ATOM 0 HG22 THR A 22 -14.827 -1.291 13.494 1.00 1.18 H new ATOM 0 HG23 THR A 22 -14.933 -2.658 12.359 1.00 1.18 H new ATOM 333 N THR A 23 -11.599 0.427 13.323 1.00 0.75 N ATOM 334 CA THR A 23 -11.660 1.836 13.692 1.00 0.75 C ATOM 335 C THR A 23 -11.746 2.762 12.477 1.00 0.67 C ATOM 336 O THR A 23 -12.306 3.845 12.569 1.00 0.66 O ATOM 337 CB THR A 23 -10.454 2.240 14.551 1.00 0.82 C ATOM 338 OG1 THR A 23 -9.422 1.246 14.444 1.00 1.25 O ATOM 339 CG2 THR A 23 -10.865 2.412 16.003 1.00 1.17 C ATOM 0 H THR A 23 -10.773 -0.061 13.669 1.00 0.75 H new ATOM 0 HA THR A 23 -12.576 1.952 14.271 1.00 0.75 H new ATOM 0 HB THR A 23 -10.071 3.193 14.187 1.00 0.82 H new ATOM 0 HG1 THR A 23 -9.150 0.959 15.341 1.00 1.25 H new ATOM 0 HG21 THR A 23 -9.996 2.698 16.596 1.00 1.17 H new ATOM 0 HG22 THR A 23 -11.626 3.189 16.076 1.00 1.17 H new ATOM 0 HG23 THR A 23 -11.268 1.472 16.381 1.00 1.17 H new ATOM 347 N LEU A 24 -11.214 2.330 11.335 1.00 0.65 N ATOM 348 CA LEU A 24 -11.255 3.153 10.128 1.00 0.63 C ATOM 349 C LEU A 24 -12.616 3.086 9.474 1.00 0.64 C ATOM 350 O LEU A 24 -13.023 4.010 8.783 1.00 0.65 O ATOM 351 CB LEU A 24 -10.186 2.723 9.149 1.00 0.67 C ATOM 352 CG LEU A 24 -8.922 3.592 9.128 1.00 0.84 C ATOM 353 CD1 LEU A 24 -8.206 3.542 10.468 1.00 1.49 C ATOM 354 CD2 LEU A 24 -7.993 3.151 8.008 1.00 1.30 C ATOM 0 H LEU A 24 -10.755 1.426 11.220 1.00 0.65 H new ATOM 0 HA LEU A 24 -11.064 4.185 10.422 1.00 0.63 H new ATOM 0 HB2 LEU A 24 -9.897 1.698 9.380 1.00 0.67 H new ATOM 0 HB3 LEU A 24 -10.617 2.715 8.148 1.00 0.67 H new ATOM 0 HG LEU A 24 -9.221 4.624 8.944 1.00 0.84 H new ATOM 0 HD11 LEU A 24 -7.313 4.166 10.427 1.00 1.49 H new ATOM 0 HD12 LEU A 24 -8.871 3.910 11.250 1.00 1.49 H new ATOM 0 HD13 LEU A 24 -7.920 2.514 10.690 1.00 1.49 H new ATOM 0 HD21 LEU A 24 -7.101 3.778 8.007 1.00 1.30 H new ATOM 0 HD22 LEU A 24 -7.705 2.111 8.162 1.00 1.30 H new ATOM 0 HD23 LEU A 24 -8.505 3.248 7.051 1.00 1.30 H new ATOM 366 N LEU A 25 -13.329 1.998 9.715 1.00 0.68 N ATOM 367 CA LEU A 25 -14.683 1.859 9.213 1.00 0.75 C ATOM 368 C LEU A 25 -15.615 2.734 10.051 1.00 0.74 C ATOM 369 O LEU A 25 -16.734 3.048 9.648 1.00 0.82 O ATOM 370 CB LEU A 25 -15.122 0.394 9.264 1.00 0.85 C ATOM 371 CG LEU A 25 -15.795 -0.131 7.996 1.00 0.92 C ATOM 372 CD1 LEU A 25 -17.107 0.586 7.741 1.00 1.63 C ATOM 373 CD2 LEU A 25 -14.866 0.025 6.802 1.00 1.69 C ATOM 0 H LEU A 25 -12.992 1.200 10.254 1.00 0.68 H new ATOM 0 HA LEU A 25 -14.724 2.183 8.173 1.00 0.75 H new ATOM 0 HB2 LEU A 25 -14.248 -0.223 9.474 1.00 0.85 H new ATOM 0 HB3 LEU A 25 -15.810 0.267 10.100 1.00 0.85 H new ATOM 0 HG LEU A 25 -16.010 -1.190 8.139 1.00 0.92 H new ATOM 0 HD11 LEU A 25 -17.565 0.194 6.833 1.00 1.63 H new ATOM 0 HD12 LEU A 25 -17.779 0.427 8.585 1.00 1.63 H new ATOM 0 HD13 LEU A 25 -16.921 1.653 7.622 1.00 1.63 H new ATOM 0 HD21 LEU A 25 -15.358 -0.353 5.906 1.00 1.69 H new ATOM 0 HD22 LEU A 25 -14.623 1.079 6.665 1.00 1.69 H new ATOM 0 HD23 LEU A 25 -13.950 -0.539 6.978 1.00 1.69 H new ATOM 385 N ASP A 26 -15.126 3.132 11.219 1.00 0.71 N ATOM 386 CA ASP A 26 -15.840 4.077 12.063 1.00 0.75 C ATOM 387 C ASP A 26 -15.393 5.471 11.716 1.00 0.70 C ATOM 388 O ASP A 26 -16.195 6.393 11.549 1.00 0.76 O ATOM 389 CB ASP A 26 -15.551 3.838 13.530 1.00 0.81 C ATOM 390 CG ASP A 26 -16.216 4.878 14.419 1.00 1.01 C ATOM 391 OD1 ASP A 26 -15.616 5.959 14.636 1.00 1.23 O ATOM 392 OD2 ASP A 26 -17.347 4.637 14.887 1.00 1.13 O ATOM 0 H ASP A 26 -14.236 2.813 11.602 1.00 0.71 H new ATOM 0 HA ASP A 26 -16.908 3.947 11.891 1.00 0.75 H new ATOM 0 HB2 ASP A 26 -15.900 2.844 13.811 1.00 0.81 H new ATOM 0 HB3 ASP A 26 -14.474 3.856 13.695 1.00 0.81 H new ATOM 397 N ALA A 27 -14.083 5.596 11.602 1.00 0.63 N ATOM 398 CA ALA A 27 -13.437 6.854 11.287 1.00 0.61 C ATOM 399 C ALA A 27 -13.945 7.395 9.961 1.00 0.58 C ATOM 400 O ALA A 27 -14.084 8.604 9.773 1.00 0.62 O ATOM 401 CB ALA A 27 -11.939 6.634 11.241 1.00 0.61 C ATOM 0 H ALA A 27 -13.433 4.820 11.727 1.00 0.63 H new ATOM 0 HA ALA A 27 -13.671 7.591 12.055 1.00 0.61 H new ATOM 0 HB1 ALA A 27 -11.440 7.574 11.005 1.00 0.61 H new ATOM 0 HB2 ALA A 27 -11.594 6.274 12.210 1.00 0.61 H new ATOM 0 HB3 ALA A 27 -11.703 5.895 10.475 1.00 0.61 H new ATOM 407 N ILE A 28 -14.239 6.474 9.060 1.00 0.56 N ATOM 408 CA ILE A 28 -14.695 6.797 7.724 1.00 0.57 C ATOM 409 C ILE A 28 -16.133 7.334 7.749 1.00 0.64 C ATOM 410 O ILE A 28 -16.503 8.184 6.939 1.00 0.71 O ATOM 411 CB ILE A 28 -14.572 5.541 6.828 1.00 0.61 C ATOM 412 CG1 ILE A 28 -14.309 5.917 5.380 1.00 0.84 C ATOM 413 CG2 ILE A 28 -15.800 4.644 6.927 1.00 1.02 C ATOM 414 CD1 ILE A 28 -13.613 4.805 4.634 1.00 0.85 C ATOM 0 H ILE A 28 -14.166 5.472 9.239 1.00 0.56 H new ATOM 0 HA ILE A 28 -14.069 7.587 7.309 1.00 0.57 H new ATOM 0 HB ILE A 28 -13.717 4.976 7.199 1.00 0.61 H new ATOM 0 HG12 ILE A 28 -15.253 6.151 4.887 1.00 0.84 H new ATOM 0 HG13 ILE A 28 -13.698 6.819 5.343 1.00 0.84 H new ATOM 0 HG21 ILE A 28 -15.669 3.775 6.282 1.00 1.02 H new ATOM 0 HG22 ILE A 28 -15.927 4.314 7.958 1.00 1.02 H new ATOM 0 HG23 ILE A 28 -16.683 5.200 6.612 1.00 1.02 H new ATOM 0 HD11 ILE A 28 -13.442 5.111 3.602 1.00 0.85 H new ATOM 0 HD12 ILE A 28 -12.657 4.589 5.112 1.00 0.85 H new ATOM 0 HD13 ILE A 28 -14.236 3.911 4.649 1.00 0.85 H new ATOM 426 N ARG A 29 -16.920 6.859 8.713 1.00 0.70 N ATOM 427 CA ARG A 29 -18.287 7.337 8.900 1.00 0.82 C ATOM 428 C ARG A 29 -18.259 8.683 9.605 1.00 0.86 C ATOM 429 O ARG A 29 -19.013 9.592 9.284 1.00 1.07 O ATOM 430 CB ARG A 29 -19.095 6.345 9.738 1.00 0.99 C ATOM 431 CG ARG A 29 -19.220 4.964 9.121 1.00 1.06 C ATOM 432 CD ARG A 29 -19.930 4.002 10.060 1.00 1.06 C ATOM 433 NE ARG A 29 -21.322 4.385 10.304 1.00 1.62 N ATOM 434 CZ ARG A 29 -21.824 4.671 11.509 1.00 2.19 C ATOM 435 NH1 ARG A 29 -21.038 4.656 12.582 1.00 2.49 N ATOM 436 NH2 ARG A 29 -23.110 4.976 11.637 1.00 3.04 N ATOM 0 H ARG A 29 -16.632 6.141 9.378 1.00 0.70 H new ATOM 0 HA ARG A 29 -18.759 7.437 7.922 1.00 0.82 H new ATOM 0 HB2 ARG A 29 -18.629 6.251 10.719 1.00 0.99 H new ATOM 0 HB3 ARG A 29 -20.094 6.751 9.897 1.00 0.99 H new ATOM 0 HG2 ARG A 29 -19.770 5.031 8.182 1.00 1.06 H new ATOM 0 HG3 ARG A 29 -18.229 4.578 8.883 1.00 1.06 H new ATOM 0 HD2 ARG A 29 -19.901 2.998 9.637 1.00 1.06 H new ATOM 0 HD3 ARG A 29 -19.395 3.963 11.009 1.00 1.06 H new ATOM 0 HE ARG A 29 -21.950 4.437 9.502 1.00 1.62 H new ATOM 0 HH11 ARG A 29 -20.049 4.426 12.486 1.00 2.49 H new ATOM 0 HH12 ARG A 29 -21.424 4.875 13.500 1.00 2.49 H new ATOM 0 HH21 ARG A 29 -23.715 4.992 10.816 1.00 3.04 H new ATOM 0 HH22 ARG A 29 -23.493 5.194 12.557 1.00 3.04 H new ATOM 450 N HIS A 30 -17.351 8.810 10.558 1.00 0.83 N ATOM 451 CA HIS A 30 -17.209 10.035 11.323 1.00 0.98 C ATOM 452 C HIS A 30 -16.284 11.004 10.620 1.00 0.95 C ATOM 453 O HIS A 30 -15.593 11.814 11.237 1.00 1.10 O ATOM 454 CB HIS A 30 -16.693 9.714 12.698 1.00 1.15 C ATOM 455 CG HIS A 30 -17.701 9.071 13.583 1.00 1.60 C ATOM 456 ND1 HIS A 30 -17.489 7.899 14.278 1.00 2.04 N ATOM 457 CD2 HIS A 30 -18.944 9.462 13.879 1.00 2.10 C ATOM 458 CE1 HIS A 30 -18.574 7.602 14.966 1.00 2.61 C ATOM 459 NE2 HIS A 30 -19.473 8.539 14.740 1.00 2.65 N ATOM 0 H HIS A 30 -16.697 8.073 10.821 1.00 0.83 H new ATOM 0 HA HIS A 30 -18.186 10.511 11.411 1.00 0.98 H new ATOM 0 HB2 HIS A 30 -15.830 9.055 12.607 1.00 1.15 H new ATOM 0 HB3 HIS A 30 -16.344 10.633 13.169 1.00 1.15 H new ATOM 0 HD1 HIS A 30 -16.630 7.349 14.262 1.00 2.04 H new ATOM 0 HD2 HIS A 30 -19.441 10.346 13.507 1.00 2.10 H new ATOM 0 HE1 HIS A 30 -18.704 6.740 15.604 1.00 2.61 H new ATOM 468 N SER A 31 -16.250 10.847 9.330 1.00 0.82 N ATOM 469 CA SER A 31 -15.578 11.768 8.437 1.00 0.84 C ATOM 470 C SER A 31 -16.616 12.449 7.552 1.00 1.00 C ATOM 471 O SER A 31 -16.497 13.636 7.239 1.00 1.38 O ATOM 472 CB SER A 31 -14.533 11.031 7.585 1.00 0.78 C ATOM 473 OG SER A 31 -13.981 11.878 6.588 1.00 1.46 O ATOM 0 H SER A 31 -16.694 10.063 8.852 1.00 0.82 H new ATOM 0 HA SER A 31 -15.053 12.523 9.022 1.00 0.84 H new ATOM 0 HB2 SER A 31 -13.736 10.657 8.228 1.00 0.78 H new ATOM 0 HB3 SER A 31 -14.994 10.164 7.112 1.00 0.78 H new ATOM 0 HG SER A 31 -13.142 12.265 6.915 1.00 1.46 H new ATOM 479 N LYS A 32 -17.651 11.690 7.181 1.00 0.91 N ATOM 480 CA LYS A 32 -18.721 12.181 6.320 1.00 1.09 C ATOM 481 C LYS A 32 -19.699 11.055 6.000 1.00 1.10 C ATOM 482 O LYS A 32 -19.751 10.056 6.707 1.00 1.37 O ATOM 483 CB LYS A 32 -18.145 12.751 5.020 1.00 1.39 C ATOM 484 CG LYS A 32 -17.475 11.715 4.134 1.00 1.56 C ATOM 485 CD LYS A 32 -16.851 12.343 2.896 1.00 2.24 C ATOM 486 CE LYS A 32 -15.912 13.490 3.247 1.00 3.10 C ATOM 487 NZ LYS A 32 -14.820 13.068 4.165 1.00 3.92 N ATOM 0 H LYS A 32 -17.767 10.719 7.471 1.00 0.91 H new ATOM 0 HA LYS A 32 -19.250 12.974 6.848 1.00 1.09 H new ATOM 0 HB2 LYS A 32 -18.947 13.230 4.459 1.00 1.39 H new ATOM 0 HB3 LYS A 32 -17.420 13.527 5.265 1.00 1.39 H new ATOM 0 HG2 LYS A 32 -16.705 11.194 4.703 1.00 1.56 H new ATOM 0 HG3 LYS A 32 -18.208 10.968 3.831 1.00 1.56 H new ATOM 0 HD2 LYS A 32 -16.302 11.582 2.342 1.00 2.24 H new ATOM 0 HD3 LYS A 32 -17.640 12.709 2.239 1.00 2.24 H new ATOM 0 HE2 LYS A 32 -15.478 13.894 2.332 1.00 3.10 H new ATOM 0 HE3 LYS A 32 -16.483 14.294 3.711 1.00 3.10 H new ATOM 0 HZ1 LYS A 32 -14.333 13.909 4.535 1.00 3.92 H new ATOM 0 HZ2 LYS A 32 -15.222 12.525 4.956 1.00 3.92 H new ATOM 0 HZ3 LYS A 32 -14.141 12.474 3.647 1.00 3.92 H new ATOM 501 N VAL A 33 -20.436 11.246 4.909 1.00 1.17 N ATOM 502 CA VAL A 33 -21.456 10.314 4.393 1.00 1.39 C ATOM 503 C VAL A 33 -22.473 9.842 5.455 1.00 1.51 C ATOM 504 O VAL A 33 -23.585 10.371 5.521 1.00 2.31 O ATOM 505 CB VAL A 33 -20.849 9.114 3.593 1.00 2.16 C ATOM 506 CG1 VAL A 33 -19.835 8.305 4.390 1.00 3.10 C ATOM 507 CG2 VAL A 33 -21.955 8.210 3.070 1.00 3.06 C ATOM 0 H VAL A 33 -20.342 12.082 4.333 1.00 1.17 H new ATOM 0 HA VAL A 33 -22.026 10.910 3.681 1.00 1.39 H new ATOM 0 HB VAL A 33 -20.304 9.549 2.755 1.00 2.16 H new ATOM 0 HG11 VAL A 33 -19.455 7.490 3.774 1.00 3.10 H new ATOM 0 HG12 VAL A 33 -19.008 8.950 4.688 1.00 3.10 H new ATOM 0 HG13 VAL A 33 -20.314 7.895 5.279 1.00 3.10 H new ATOM 0 HG21 VAL A 33 -21.515 7.381 2.516 1.00 3.06 H new ATOM 0 HG22 VAL A 33 -22.533 7.821 3.908 1.00 3.06 H new ATOM 0 HG23 VAL A 33 -22.610 8.780 2.411 1.00 3.06 H new ATOM 517 N THR A 34 -22.108 8.872 6.278 1.00 1.46 N ATOM 518 CA THR A 34 -23.054 8.250 7.188 1.00 1.91 C ATOM 519 C THR A 34 -22.857 8.699 8.635 1.00 2.50 C ATOM 520 O THR A 34 -21.754 8.633 9.175 1.00 2.78 O ATOM 521 CB THR A 34 -22.936 6.723 7.117 1.00 1.83 C ATOM 522 OG1 THR A 34 -21.565 6.336 7.237 1.00 2.42 O ATOM 523 CG2 THR A 34 -23.512 6.190 5.813 1.00 1.73 C ATOM 0 H THR A 34 -21.161 8.498 6.334 1.00 1.46 H new ATOM 0 HA THR A 34 -24.047 8.567 6.870 1.00 1.91 H new ATOM 0 HB THR A 34 -23.508 6.297 7.942 1.00 1.83 H new ATOM 0 HG1 THR A 34 -21.295 5.835 6.439 1.00 2.42 H new ATOM 0 HG21 THR A 34 -23.415 5.105 5.789 1.00 1.73 H new ATOM 0 HG22 THR A 34 -24.565 6.462 5.742 1.00 1.73 H new ATOM 0 HG23 THR A 34 -22.969 6.621 4.972 1.00 1.73 H new ATOM 531 N GLU A 35 -23.946 9.124 9.256 1.00 3.15 N ATOM 532 CA GLU A 35 -23.932 9.522 10.657 1.00 3.98 C ATOM 533 C GLU A 35 -24.947 8.706 11.452 1.00 4.05 C ATOM 534 O GLU A 35 -24.624 8.122 12.488 1.00 4.33 O ATOM 535 CB GLU A 35 -24.226 11.022 10.812 1.00 4.75 C ATOM 536 CG GLU A 35 -25.446 11.501 10.037 1.00 5.08 C ATOM 537 CD GLU A 35 -26.208 12.600 10.749 1.00 5.84 C ATOM 538 OE1 GLU A 35 -25.612 13.650 11.065 1.00 6.16 O ATOM 539 OE2 GLU A 35 -27.417 12.417 11.001 1.00 6.34 O ATOM 0 H GLU A 35 -24.859 9.203 8.808 1.00 3.15 H new ATOM 0 HA GLU A 35 -22.934 9.328 11.049 1.00 3.98 H new ATOM 0 HB2 GLU A 35 -24.370 11.245 11.869 1.00 4.75 H new ATOM 0 HB3 GLU A 35 -23.355 11.588 10.482 1.00 4.75 H new ATOM 0 HG2 GLU A 35 -25.129 11.862 9.059 1.00 5.08 H new ATOM 0 HG3 GLU A 35 -26.114 10.657 9.864 1.00 5.08 H new ATOM 546 N GLN A 36 -26.167 8.649 10.939 1.00 4.07 N ATOM 547 CA GLN A 36 -27.258 7.954 11.610 1.00 4.38 C ATOM 548 C GLN A 36 -27.625 6.693 10.842 1.00 4.02 C ATOM 549 O GLN A 36 -28.443 5.890 11.292 1.00 4.41 O ATOM 550 CB GLN A 36 -28.478 8.869 11.709 1.00 5.16 C ATOM 551 CG GLN A 36 -28.958 9.375 10.359 1.00 5.59 C ATOM 552 CD GLN A 36 -30.188 10.246 10.458 1.00 6.26 C ATOM 553 OE1 GLN A 36 -31.316 9.758 10.389 1.00 6.59 O ATOM 554 NE2 GLN A 36 -29.979 11.539 10.625 1.00 6.79 N ATOM 0 H GLN A 36 -26.429 9.080 10.052 1.00 4.07 H new ATOM 0 HA GLN A 36 -26.934 7.679 12.614 1.00 4.38 H new ATOM 0 HB2 GLN A 36 -29.290 8.330 12.197 1.00 5.16 H new ATOM 0 HB3 GLN A 36 -28.234 9.721 12.343 1.00 5.16 H new ATOM 0 HG2 GLN A 36 -28.157 9.940 9.883 1.00 5.59 H new ATOM 0 HG3 GLN A 36 -29.174 8.523 9.714 1.00 5.59 H new ATOM 0 HE21 GLN A 36 -29.026 11.899 10.677 1.00 6.79 H new ATOM 0 HE22 GLN A 36 -30.770 12.178 10.702 1.00 6.79 H new ATOM 563 N GLU A 37 -27.029 6.547 9.671 1.00 3.65 N ATOM 564 CA GLU A 37 -27.262 5.394 8.828 1.00 3.72 C ATOM 565 C GLU A 37 -26.727 4.133 9.491 1.00 3.46 C ATOM 566 O GLU A 37 -25.583 4.099 9.964 1.00 3.48 O ATOM 567 CB GLU A 37 -26.610 5.599 7.456 1.00 4.27 C ATOM 568 CG GLU A 37 -27.262 6.686 6.608 1.00 4.95 C ATOM 569 CD GLU A 37 -26.803 8.101 6.940 1.00 5.60 C ATOM 570 OE1 GLU A 37 -26.180 8.312 8.001 1.00 5.76 O ATOM 571 OE2 GLU A 37 -27.065 9.011 6.133 1.00 6.24 O ATOM 0 H GLU A 37 -26.373 7.224 9.282 1.00 3.65 H new ATOM 0 HA GLU A 37 -28.337 5.277 8.687 1.00 3.72 H new ATOM 0 HB2 GLU A 37 -25.559 5.848 7.600 1.00 4.27 H new ATOM 0 HB3 GLU A 37 -26.642 4.658 6.907 1.00 4.27 H new ATOM 0 HG2 GLU A 37 -27.052 6.486 5.557 1.00 4.95 H new ATOM 0 HG3 GLU A 37 -28.343 6.629 6.733 1.00 4.95 H new ATOM 578 N ALA A 38 -27.562 3.105 9.522 1.00 3.77 N ATOM 579 CA ALA A 38 -27.217 1.845 10.157 1.00 4.17 C ATOM 580 C ALA A 38 -26.385 0.980 9.223 1.00 4.07 C ATOM 581 O ALA A 38 -26.865 -0.011 8.667 1.00 4.46 O ATOM 582 CB ALA A 38 -28.471 1.108 10.580 1.00 4.95 C ATOM 0 H ALA A 38 -28.494 3.122 9.109 1.00 3.77 H new ATOM 0 HA ALA A 38 -26.622 2.061 11.044 1.00 4.17 H new ATOM 0 HB1 ALA A 38 -28.197 0.166 11.054 1.00 4.95 H new ATOM 0 HB2 ALA A 38 -29.032 1.720 11.286 1.00 4.95 H new ATOM 0 HB3 ALA A 38 -29.088 0.907 9.704 1.00 4.95 H new ATOM 588 N GLY A 39 -25.144 1.381 9.047 1.00 4.00 N ATOM 589 CA GLY A 39 -24.230 0.654 8.197 1.00 4.22 C ATOM 590 C GLY A 39 -22.796 0.959 8.555 1.00 4.22 C ATOM 591 O GLY A 39 -22.515 1.978 9.190 1.00 4.68 O ATOM 0 H GLY A 39 -24.745 2.211 9.485 1.00 4.00 H new ATOM 0 HA2 GLY A 39 -24.412 -0.416 8.293 1.00 4.22 H new ATOM 0 HA3 GLY A 39 -24.411 0.916 7.155 1.00 4.22 H new ATOM 595 N GLY A 40 -21.890 0.081 8.168 1.00 4.14 N ATOM 596 CA GLY A 40 -20.495 0.279 8.485 1.00 4.55 C ATOM 597 C GLY A 40 -20.138 -0.248 9.856 1.00 4.28 C ATOM 598 O GLY A 40 -19.477 -1.280 9.979 1.00 4.37 O ATOM 0 H GLY A 40 -22.095 -0.767 7.639 1.00 4.14 H new ATOM 0 HA2 GLY A 40 -19.880 -0.219 7.735 1.00 4.55 H new ATOM 0 HA3 GLY A 40 -20.261 1.342 8.434 1.00 4.55 H new ATOM 602 N ILE A 41 -20.589 0.456 10.886 1.00 4.35 N ATOM 603 CA ILE A 41 -20.289 0.084 12.262 1.00 4.40 C ATOM 604 C ILE A 41 -21.575 -0.045 13.067 1.00 4.54 C ATOM 605 O ILE A 41 -22.165 0.957 13.479 1.00 5.04 O ATOM 606 CB ILE A 41 -19.361 1.116 12.950 1.00 4.99 C ATOM 607 CG1 ILE A 41 -18.020 1.204 12.221 1.00 5.27 C ATOM 608 CG2 ILE A 41 -19.140 0.760 14.417 1.00 5.57 C ATOM 609 CD1 ILE A 41 -17.225 -0.088 12.232 1.00 5.56 C ATOM 0 H ILE A 41 -21.167 1.292 10.793 1.00 4.35 H new ATOM 0 HA ILE A 41 -19.772 -0.875 12.230 1.00 4.40 H new ATOM 0 HB ILE A 41 -19.850 2.089 12.903 1.00 4.99 H new ATOM 0 HG12 ILE A 41 -18.199 1.500 11.187 1.00 5.27 H new ATOM 0 HG13 ILE A 41 -17.421 1.991 12.678 1.00 5.27 H new ATOM 0 HG21 ILE A 41 -18.485 1.500 14.876 1.00 5.57 H new ATOM 0 HG22 ILE A 41 -20.098 0.750 14.937 1.00 5.57 H new ATOM 0 HG23 ILE A 41 -18.679 -0.225 14.487 1.00 5.57 H new ATOM 0 HD11 ILE A 41 -16.288 0.057 11.695 1.00 5.56 H new ATOM 0 HD12 ILE A 41 -17.012 -0.376 13.262 1.00 5.56 H new ATOM 0 HD13 ILE A 41 -17.803 -0.875 11.747 1.00 5.56 H new ATOM 621 N THR A 42 -22.020 -1.277 13.261 1.00 4.43 N ATOM 622 CA THR A 42 -23.188 -1.556 14.077 1.00 4.86 C ATOM 623 C THR A 42 -23.139 -2.996 14.588 1.00 4.64 C ATOM 624 O THR A 42 -22.648 -3.253 15.686 1.00 4.68 O ATOM 625 CB THR A 42 -24.510 -1.322 13.305 1.00 5.21 C ATOM 626 OG1 THR A 42 -24.555 0.016 12.795 1.00 5.55 O ATOM 627 CG2 THR A 42 -25.710 -1.554 14.206 1.00 5.93 C ATOM 0 H THR A 42 -21.583 -2.106 12.859 1.00 4.43 H new ATOM 0 HA THR A 42 -23.168 -0.863 14.918 1.00 4.86 H new ATOM 0 HB THR A 42 -24.546 -2.031 12.477 1.00 5.21 H new ATOM 0 HG1 THR A 42 -23.914 0.574 13.283 1.00 5.55 H new ATOM 0 HG21 THR A 42 -26.627 -1.384 13.642 1.00 5.93 H new ATOM 0 HG22 THR A 42 -25.696 -2.580 14.574 1.00 5.93 H new ATOM 0 HG23 THR A 42 -25.670 -0.865 15.050 1.00 5.93 H new ATOM 635 N GLN A 43 -23.597 -3.931 13.757 1.00 4.73 N ATOM 636 CA GLN A 43 -23.642 -5.347 14.116 1.00 4.79 C ATOM 637 C GLN A 43 -24.248 -6.144 12.972 1.00 4.45 C ATOM 638 O GLN A 43 -23.618 -7.056 12.434 1.00 4.74 O ATOM 639 CB GLN A 43 -24.457 -5.558 15.397 1.00 5.52 C ATOM 640 CG GLN A 43 -24.496 -7.001 15.871 1.00 5.96 C ATOM 641 CD GLN A 43 -25.185 -7.164 17.213 1.00 6.23 C ATOM 642 OE1 GLN A 43 -26.137 -6.292 17.510 1.00 6.39 O flip ATOM 643 NE2 GLN A 43 -24.854 -8.064 17.983 1.00 6.63 N flip ATOM 0 H GLN A 43 -23.946 -3.729 12.820 1.00 4.73 H new ATOM 0 HA GLN A 43 -22.625 -5.694 14.300 1.00 4.79 H new ATOM 0 HB2 GLN A 43 -24.038 -4.937 16.189 1.00 5.52 H new ATOM 0 HB3 GLN A 43 -25.477 -5.214 15.228 1.00 5.52 H new ATOM 0 HG2 GLN A 43 -25.012 -7.608 15.127 1.00 5.96 H new ATOM 0 HG3 GLN A 43 -23.477 -7.382 15.943 1.00 5.96 H new ATOM 0 HE21 GLN A 43 -24.116 -8.716 17.718 1.00 6.63 H new ATOM 0 HE22 GLN A 43 -25.318 -8.158 18.887 1.00 6.63 H new ATOM 652 N HIS A 44 -25.479 -5.799 12.610 1.00 4.15 N ATOM 653 CA HIS A 44 -26.117 -6.387 11.441 1.00 4.05 C ATOM 654 C HIS A 44 -25.418 -5.898 10.175 1.00 3.55 C ATOM 655 O HIS A 44 -25.507 -4.722 9.820 1.00 3.72 O ATOM 656 CB HIS A 44 -27.628 -6.079 11.395 1.00 4.61 C ATOM 657 CG HIS A 44 -27.983 -4.623 11.437 1.00 5.23 C ATOM 658 ND1 HIS A 44 -28.277 -3.884 10.315 1.00 5.76 N ATOM 659 CD2 HIS A 44 -28.107 -3.780 12.484 1.00 5.72 C ATOM 660 CE1 HIS A 44 -28.561 -2.646 10.667 1.00 6.54 C ATOM 661 NE2 HIS A 44 -28.467 -2.558 11.980 1.00 6.49 N ATOM 0 H HIS A 44 -26.052 -5.118 13.108 1.00 4.15 H new ATOM 0 HA HIS A 44 -26.019 -7.471 11.507 1.00 4.05 H new ATOM 0 HB2 HIS A 44 -28.043 -6.512 10.485 1.00 4.61 H new ATOM 0 HB3 HIS A 44 -28.110 -6.579 12.235 1.00 4.61 H new ATOM 0 HD2 HIS A 44 -27.951 -4.023 13.525 1.00 5.72 H new ATOM 0 HE1 HIS A 44 -28.825 -1.842 9.996 1.00 6.54 H new ATOM 0 HE2 HIS A 44 -28.635 -1.716 12.531 1.00 6.49 H new ATOM 670 N ILE A 45 -24.703 -6.819 9.531 1.00 3.31 N ATOM 671 CA ILE A 45 -23.877 -6.517 8.366 1.00 3.06 C ATOM 672 C ILE A 45 -22.672 -5.662 8.769 1.00 2.33 C ATOM 673 O ILE A 45 -22.688 -4.963 9.786 1.00 2.50 O ATOM 674 CB ILE A 45 -24.692 -5.818 7.251 1.00 3.87 C ATOM 675 CG1 ILE A 45 -25.905 -6.672 6.865 1.00 4.51 C ATOM 676 CG2 ILE A 45 -23.839 -5.527 6.020 1.00 4.43 C ATOM 677 CD1 ILE A 45 -25.542 -8.048 6.345 1.00 5.17 C ATOM 0 H ILE A 45 -24.681 -7.801 9.805 1.00 3.31 H new ATOM 0 HA ILE A 45 -23.517 -7.464 7.964 1.00 3.06 H new ATOM 0 HB ILE A 45 -25.036 -4.862 7.646 1.00 3.87 H new ATOM 0 HG12 ILE A 45 -26.552 -6.782 7.735 1.00 4.51 H new ATOM 0 HG13 ILE A 45 -26.481 -6.146 6.103 1.00 4.51 H new ATOM 0 HG21 ILE A 45 -24.450 -5.036 5.262 1.00 4.43 H new ATOM 0 HG22 ILE A 45 -23.011 -4.875 6.297 1.00 4.43 H new ATOM 0 HG23 ILE A 45 -23.446 -6.462 5.620 1.00 4.43 H new ATOM 0 HD11 ILE A 45 -26.451 -8.593 6.093 1.00 5.17 H new ATOM 0 HD12 ILE A 45 -24.920 -7.948 5.455 1.00 5.17 H new ATOM 0 HD13 ILE A 45 -24.993 -8.594 7.112 1.00 5.17 H new ATOM 689 N GLY A 46 -21.622 -5.748 7.982 1.00 2.18 N ATOM 690 CA GLY A 46 -20.412 -5.006 8.257 1.00 2.10 C ATOM 691 C GLY A 46 -19.991 -4.178 7.066 1.00 1.86 C ATOM 692 O GLY A 46 -20.272 -4.554 5.925 1.00 2.51 O ATOM 0 H GLY A 46 -21.582 -6.327 7.143 1.00 2.18 H new ATOM 0 HA2 GLY A 46 -20.570 -4.355 9.117 1.00 2.10 H new ATOM 0 HA3 GLY A 46 -19.612 -5.697 8.523 1.00 2.10 H new ATOM 696 N ALA A 47 -19.332 -3.049 7.329 1.00 1.36 N ATOM 697 CA ALA A 47 -18.886 -2.140 6.272 1.00 1.12 C ATOM 698 C ALA A 47 -20.078 -1.532 5.534 1.00 1.01 C ATOM 699 O ALA A 47 -21.227 -1.708 5.946 1.00 1.17 O ATOM 700 CB ALA A 47 -17.947 -2.844 5.308 1.00 1.29 C ATOM 0 H ALA A 47 -19.094 -2.741 8.272 1.00 1.36 H new ATOM 0 HA ALA A 47 -18.333 -1.326 6.741 1.00 1.12 H new ATOM 0 HB1 ALA A 47 -17.631 -2.146 4.533 1.00 1.29 H new ATOM 0 HB2 ALA A 47 -17.073 -3.205 5.850 1.00 1.29 H new ATOM 0 HB3 ALA A 47 -18.463 -3.687 4.848 1.00 1.29 H new ATOM 706 N TYR A 48 -19.809 -0.806 4.451 1.00 0.85 N ATOM 707 CA TYR A 48 -20.863 -0.091 3.747 1.00 0.89 C ATOM 708 C TYR A 48 -20.329 0.544 2.468 1.00 0.81 C ATOM 709 O TYR A 48 -19.130 0.504 2.189 1.00 0.73 O ATOM 710 CB TYR A 48 -21.478 0.983 4.653 1.00 0.97 C ATOM 711 CG TYR A 48 -20.626 2.218 4.830 1.00 0.94 C ATOM 712 CD1 TYR A 48 -19.340 2.149 5.354 1.00 0.92 C ATOM 713 CD2 TYR A 48 -21.125 3.463 4.477 1.00 1.20 C ATOM 714 CE1 TYR A 48 -18.582 3.289 5.522 1.00 1.15 C ATOM 715 CE2 TYR A 48 -20.371 4.606 4.640 1.00 1.40 C ATOM 716 CZ TYR A 48 -19.102 4.513 5.162 1.00 1.37 C ATOM 717 OH TYR A 48 -18.347 5.651 5.327 1.00 1.70 O ATOM 0 H TYR A 48 -18.878 -0.700 4.047 1.00 0.85 H new ATOM 0 HA TYR A 48 -21.637 -0.809 3.476 1.00 0.89 H new ATOM 0 HB2 TYR A 48 -22.443 1.279 4.241 1.00 0.97 H new ATOM 0 HB3 TYR A 48 -21.670 0.547 5.633 1.00 0.97 H new ATOM 0 HD1 TYR A 48 -18.929 1.190 5.633 1.00 0.92 H new ATOM 0 HD2 TYR A 48 -22.121 3.539 4.067 1.00 1.20 H new ATOM 0 HE1 TYR A 48 -17.586 3.222 5.934 1.00 1.15 H new ATOM 0 HE2 TYR A 48 -20.774 5.568 4.360 1.00 1.40 H new ATOM 0 HH TYR A 48 -18.811 6.267 5.932 1.00 1.70 H new ATOM 727 N GLN A 49 -21.240 1.126 1.702 1.00 0.91 N ATOM 728 CA GLN A 49 -20.896 1.808 0.467 1.00 0.89 C ATOM 729 C GLN A 49 -20.736 3.299 0.731 1.00 0.90 C ATOM 730 O GLN A 49 -21.708 3.987 1.039 1.00 1.02 O ATOM 731 CB GLN A 49 -21.985 1.569 -0.577 1.00 1.02 C ATOM 732 CG GLN A 49 -22.158 0.105 -0.949 1.00 1.09 C ATOM 733 CD GLN A 49 -23.294 -0.132 -1.926 1.00 1.45 C ATOM 734 OE1 GLN A 49 -23.636 0.735 -2.725 1.00 1.87 O ATOM 735 NE2 GLN A 49 -23.876 -1.318 -1.878 1.00 1.91 N ATOM 0 H GLN A 49 -22.236 1.138 1.920 1.00 0.91 H new ATOM 0 HA GLN A 49 -19.953 1.414 0.087 1.00 0.89 H new ATOM 0 HB2 GLN A 49 -22.932 1.953 -0.197 1.00 1.02 H new ATOM 0 HB3 GLN A 49 -21.747 2.138 -1.476 1.00 1.02 H new ATOM 0 HG2 GLN A 49 -21.230 -0.265 -1.384 1.00 1.09 H new ATOM 0 HG3 GLN A 49 -22.339 -0.475 -0.044 1.00 1.09 H new ATOM 0 HE21 GLN A 49 -23.563 -2.012 -1.199 1.00 1.91 H new ATOM 0 HE22 GLN A 49 -24.638 -1.539 -2.520 1.00 1.91 H new ATOM 744 N VAL A 50 -19.508 3.787 0.622 1.00 0.85 N ATOM 745 CA VAL A 50 -19.217 5.185 0.949 1.00 0.91 C ATOM 746 C VAL A 50 -19.558 6.104 -0.216 1.00 0.96 C ATOM 747 O VAL A 50 -19.304 5.785 -1.379 1.00 1.01 O ATOM 748 CB VAL A 50 -17.740 5.400 1.318 1.00 0.93 C ATOM 749 CG1 VAL A 50 -17.548 6.736 2.022 1.00 1.53 C ATOM 750 CG2 VAL A 50 -17.217 4.257 2.175 1.00 1.34 C ATOM 0 H VAL A 50 -18.701 3.245 0.313 1.00 0.85 H new ATOM 0 HA VAL A 50 -19.837 5.428 1.812 1.00 0.91 H new ATOM 0 HB VAL A 50 -17.163 5.416 0.394 1.00 0.93 H new ATOM 0 HG11 VAL A 50 -16.496 6.867 2.274 1.00 1.53 H new ATOM 0 HG12 VAL A 50 -17.867 7.544 1.363 1.00 1.53 H new ATOM 0 HG13 VAL A 50 -18.144 6.756 2.934 1.00 1.53 H new ATOM 0 HG21 VAL A 50 -16.170 4.436 2.421 1.00 1.34 H new ATOM 0 HG22 VAL A 50 -17.800 4.195 3.094 1.00 1.34 H new ATOM 0 HG23 VAL A 50 -17.306 3.320 1.625 1.00 1.34 H new ATOM 760 N THR A 51 -20.104 7.258 0.106 1.00 1.09 N ATOM 761 CA THR A 51 -20.518 8.222 -0.902 1.00 1.16 C ATOM 762 C THR A 51 -19.407 9.231 -1.173 1.00 1.19 C ATOM 763 O THR A 51 -19.372 10.313 -0.590 1.00 1.28 O ATOM 764 CB THR A 51 -21.791 8.983 -0.487 1.00 1.29 C ATOM 765 OG1 THR A 51 -22.804 8.059 -0.077 1.00 1.51 O ATOM 766 CG2 THR A 51 -22.306 9.814 -1.654 1.00 1.42 C ATOM 0 H THR A 51 -20.274 7.557 1.066 1.00 1.09 H new ATOM 0 HA THR A 51 -20.733 7.653 -1.807 1.00 1.16 H new ATOM 0 HB THR A 51 -21.547 9.643 0.346 1.00 1.29 H new ATOM 0 HG1 THR A 51 -23.609 8.552 0.187 1.00 1.51 H new ATOM 0 HG21 THR A 51 -23.206 10.348 -1.351 1.00 1.42 H new ATOM 0 HG22 THR A 51 -21.542 10.531 -1.955 1.00 1.42 H new ATOM 0 HG23 THR A 51 -22.539 9.158 -2.493 1.00 1.42 H new ATOM 774 N VAL A 52 -18.494 8.852 -2.041 1.00 1.36 N ATOM 775 CA VAL A 52 -17.489 9.777 -2.539 1.00 1.62 C ATOM 776 C VAL A 52 -17.934 10.261 -3.905 1.00 1.81 C ATOM 777 O VAL A 52 -17.636 11.372 -4.343 1.00 2.11 O ATOM 778 CB VAL A 52 -16.102 9.104 -2.660 1.00 1.88 C ATOM 779 CG1 VAL A 52 -16.121 7.987 -3.696 1.00 1.98 C ATOM 780 CG2 VAL A 52 -15.044 10.132 -3.004 1.00 2.27 C ATOM 0 H VAL A 52 -18.424 7.908 -2.420 1.00 1.36 H new ATOM 0 HA VAL A 52 -17.392 10.606 -1.838 1.00 1.62 H new ATOM 0 HB VAL A 52 -15.856 8.661 -1.695 1.00 1.88 H new ATOM 0 HG11 VAL A 52 -15.132 7.532 -3.759 1.00 1.98 H new ATOM 0 HG12 VAL A 52 -16.850 7.231 -3.403 1.00 1.98 H new ATOM 0 HG13 VAL A 52 -16.394 8.397 -4.668 1.00 1.98 H new ATOM 0 HG21 VAL A 52 -14.074 9.642 -3.086 1.00 2.27 H new ATOM 0 HG22 VAL A 52 -15.292 10.606 -3.954 1.00 2.27 H new ATOM 0 HG23 VAL A 52 -15.004 10.889 -2.221 1.00 2.27 H new ATOM 790 N ASN A 53 -18.679 9.387 -4.545 1.00 1.81 N ATOM 791 CA ASN A 53 -19.198 9.593 -5.860 1.00 1.99 C ATOM 792 C ASN A 53 -20.704 9.396 -5.836 1.00 1.80 C ATOM 793 O ASN A 53 -21.476 10.302 -6.142 1.00 1.82 O ATOM 794 CB ASN A 53 -18.533 8.605 -6.833 1.00 2.39 C ATOM 795 CG ASN A 53 -18.276 7.222 -6.251 1.00 3.10 C ATOM 796 OD1 ASN A 53 -18.917 6.788 -5.290 1.00 3.68 O ATOM 797 ND2 ASN A 53 -17.344 6.510 -6.852 1.00 3.42 N ATOM 0 H ASN A 53 -18.943 8.488 -4.143 1.00 1.81 H new ATOM 0 HA ASN A 53 -18.981 10.607 -6.196 1.00 1.99 H new ATOM 0 HB2 ASN A 53 -19.165 8.502 -7.715 1.00 2.39 H new ATOM 0 HB3 ASN A 53 -17.585 9.026 -7.167 1.00 2.39 H new ATOM 0 HD21 ASN A 53 -17.132 5.567 -6.525 1.00 3.42 H new ATOM 0 HD22 ASN A 53 -16.834 6.902 -7.644 1.00 3.42 H new ATOM 804 N ASP A 54 -21.092 8.196 -5.447 1.00 1.81 N ATOM 805 CA ASP A 54 -22.488 7.821 -5.296 1.00 1.82 C ATOM 806 C ASP A 54 -22.595 6.454 -4.633 1.00 2.08 C ATOM 807 O ASP A 54 -23.400 5.616 -5.035 1.00 2.23 O ATOM 808 CB ASP A 54 -23.197 7.808 -6.650 1.00 2.01 C ATOM 809 CG ASP A 54 -22.599 6.820 -7.640 1.00 2.47 C ATOM 810 OD1 ASP A 54 -21.421 6.989 -8.022 1.00 2.99 O ATOM 811 OD2 ASP A 54 -23.297 5.862 -8.026 1.00 2.69 O ATOM 0 H ASP A 54 -20.440 7.444 -5.224 1.00 1.81 H new ATOM 0 HA ASP A 54 -22.975 8.562 -4.662 1.00 1.82 H new ATOM 0 HB2 ASP A 54 -24.249 7.566 -6.498 1.00 2.01 H new ATOM 0 HB3 ASP A 54 -23.159 8.809 -7.080 1.00 2.01 H new ATOM 816 N LYS A 55 -21.774 6.258 -3.605 1.00 2.27 N ATOM 817 CA LYS A 55 -21.710 4.994 -2.864 1.00 2.75 C ATOM 818 C LYS A 55 -21.001 3.907 -3.664 1.00 1.92 C ATOM 819 O LYS A 55 -21.107 2.724 -3.339 1.00 2.45 O ATOM 820 CB LYS A 55 -23.104 4.515 -2.432 1.00 4.02 C ATOM 821 CG LYS A 55 -23.719 5.354 -1.324 1.00 5.04 C ATOM 822 CD LYS A 55 -25.116 4.877 -0.962 1.00 5.92 C ATOM 823 CE LYS A 55 -26.107 5.150 -2.078 1.00 6.66 C ATOM 824 NZ LYS A 55 -27.501 4.841 -1.667 1.00 7.36 N ATOM 0 H LYS A 55 -21.131 6.970 -3.259 1.00 2.27 H new ATOM 0 HA LYS A 55 -21.126 5.190 -1.965 1.00 2.75 H new ATOM 0 HB2 LYS A 55 -23.767 4.527 -3.297 1.00 4.02 H new ATOM 0 HB3 LYS A 55 -23.036 3.480 -2.097 1.00 4.02 H new ATOM 0 HG2 LYS A 55 -23.081 5.313 -0.441 1.00 5.04 H new ATOM 0 HG3 LYS A 55 -23.761 6.397 -1.639 1.00 5.04 H new ATOM 0 HD2 LYS A 55 -25.092 3.808 -0.749 1.00 5.92 H new ATOM 0 HD3 LYS A 55 -25.447 5.376 -0.051 1.00 5.92 H new ATOM 0 HE2 LYS A 55 -26.040 6.196 -2.376 1.00 6.66 H new ATOM 0 HE3 LYS A 55 -25.845 4.552 -2.951 1.00 6.66 H new ATOM 0 HZ1 LYS A 55 -28.148 5.041 -2.456 1.00 7.36 H new ATOM 0 HZ2 LYS A 55 -27.572 3.837 -1.407 1.00 7.36 H new ATOM 0 HZ3 LYS A 55 -27.760 5.429 -0.850 1.00 7.36 H new ATOM 838 N LYS A 56 -20.255 4.294 -4.693 1.00 1.27 N ATOM 839 CA LYS A 56 -19.517 3.314 -5.466 1.00 1.10 C ATOM 840 C LYS A 56 -18.158 3.060 -4.814 1.00 1.03 C ATOM 841 O LYS A 56 -17.127 3.549 -5.269 1.00 1.91 O ATOM 842 CB LYS A 56 -19.345 3.786 -6.915 1.00 1.91 C ATOM 843 CG LYS A 56 -18.621 2.785 -7.803 1.00 2.63 C ATOM 844 CD LYS A 56 -18.455 3.317 -9.215 1.00 3.33 C ATOM 845 CE LYS A 56 -17.676 2.351 -10.089 1.00 3.92 C ATOM 846 NZ LYS A 56 -17.574 2.836 -11.489 1.00 4.46 N ATOM 0 H LYS A 56 -20.149 5.260 -5.003 1.00 1.27 H new ATOM 0 HA LYS A 56 -20.079 2.380 -5.483 1.00 1.10 H new ATOM 0 HB2 LYS A 56 -20.328 3.991 -7.340 1.00 1.91 H new ATOM 0 HB3 LYS A 56 -18.794 4.726 -6.918 1.00 1.91 H new ATOM 0 HG2 LYS A 56 -17.642 2.562 -7.379 1.00 2.63 H new ATOM 0 HG3 LYS A 56 -19.179 1.849 -7.828 1.00 2.63 H new ATOM 0 HD2 LYS A 56 -19.436 3.496 -9.655 1.00 3.33 H new ATOM 0 HD3 LYS A 56 -17.940 4.277 -9.184 1.00 3.33 H new ATOM 0 HE2 LYS A 56 -16.676 2.214 -9.678 1.00 3.92 H new ATOM 0 HE3 LYS A 56 -18.162 1.376 -10.076 1.00 3.92 H new ATOM 0 HZ1 LYS A 56 -17.021 2.158 -12.052 1.00 4.46 H new ATOM 0 HZ2 LYS A 56 -18.527 2.927 -11.895 1.00 4.46 H new ATOM 0 HZ3 LYS A 56 -17.102 3.763 -11.502 1.00 4.46 H new ATOM 860 N ILE A 57 -18.213 2.291 -3.728 1.00 0.92 N ATOM 861 CA ILE A 57 -17.054 1.748 -3.009 1.00 0.72 C ATOM 862 C ILE A 57 -17.538 1.021 -1.776 1.00 0.69 C ATOM 863 O ILE A 57 -17.755 1.629 -0.728 1.00 0.80 O ATOM 864 CB ILE A 57 -15.968 2.766 -2.548 1.00 0.65 C ATOM 865 CG1 ILE A 57 -16.524 4.184 -2.337 1.00 0.73 C ATOM 866 CG2 ILE A 57 -14.795 2.761 -3.511 1.00 0.71 C ATOM 867 CD1 ILE A 57 -15.507 5.156 -1.758 1.00 0.75 C ATOM 0 H ILE A 57 -19.100 2.016 -3.305 1.00 0.92 H new ATOM 0 HA ILE A 57 -16.566 1.108 -3.744 1.00 0.72 H new ATOM 0 HB ILE A 57 -15.616 2.438 -1.570 1.00 0.65 H new ATOM 0 HG12 ILE A 57 -16.882 4.571 -3.291 1.00 0.73 H new ATOM 0 HG13 ILE A 57 -17.385 4.132 -1.671 1.00 0.73 H new ATOM 0 HG21 ILE A 57 -14.045 3.477 -3.175 1.00 0.71 H new ATOM 0 HG22 ILE A 57 -14.355 1.764 -3.544 1.00 0.71 H new ATOM 0 HG23 ILE A 57 -15.141 3.038 -4.507 1.00 0.71 H new ATOM 0 HD11 ILE A 57 -15.969 6.136 -1.636 1.00 0.75 H new ATOM 0 HD12 ILE A 57 -15.167 4.792 -0.788 1.00 0.75 H new ATOM 0 HD13 ILE A 57 -14.656 5.237 -2.434 1.00 0.75 H new ATOM 879 N THR A 58 -17.738 -0.274 -1.900 1.00 0.71 N ATOM 880 CA THR A 58 -18.139 -1.066 -0.762 1.00 0.71 C ATOM 881 C THR A 58 -16.900 -1.600 -0.065 1.00 0.71 C ATOM 882 O THR A 58 -16.324 -2.605 -0.482 1.00 0.82 O ATOM 883 CB THR A 58 -19.043 -2.241 -1.169 1.00 0.85 C ATOM 884 OG1 THR A 58 -20.048 -1.784 -2.083 1.00 0.96 O ATOM 885 CG2 THR A 58 -19.706 -2.856 0.056 1.00 0.86 C ATOM 0 H THR A 58 -17.630 -0.795 -2.770 1.00 0.71 H new ATOM 0 HA THR A 58 -18.710 -0.425 -0.091 1.00 0.71 H new ATOM 0 HB THR A 58 -18.429 -3.001 -1.652 1.00 0.85 H new ATOM 0 HG1 THR A 58 -20.621 -2.536 -2.342 1.00 0.96 H new ATOM 0 HG21 THR A 58 -20.342 -3.686 -0.252 1.00 0.86 H new ATOM 0 HG22 THR A 58 -18.940 -3.221 0.740 1.00 0.86 H new ATOM 0 HG23 THR A 58 -20.312 -2.102 0.559 1.00 0.86 H new ATOM 893 N PHE A 59 -16.472 -0.892 0.964 1.00 0.67 N ATOM 894 CA PHE A 59 -15.301 -1.289 1.730 1.00 0.77 C ATOM 895 C PHE A 59 -15.481 -2.675 2.338 1.00 0.96 C ATOM 896 O PHE A 59 -16.600 -3.098 2.621 1.00 1.57 O ATOM 897 CB PHE A 59 -15.008 -0.263 2.823 1.00 0.80 C ATOM 898 CG PHE A 59 -14.291 0.960 2.316 1.00 0.72 C ATOM 899 CD1 PHE A 59 -14.871 1.780 1.362 1.00 1.04 C ATOM 900 CD2 PHE A 59 -13.032 1.282 2.794 1.00 1.07 C ATOM 901 CE1 PHE A 59 -14.208 2.899 0.893 1.00 1.06 C ATOM 902 CE2 PHE A 59 -12.366 2.401 2.330 1.00 1.10 C ATOM 903 CZ PHE A 59 -12.955 3.207 1.379 1.00 0.80 C ATOM 0 H PHE A 59 -16.919 -0.035 1.291 1.00 0.67 H new ATOM 0 HA PHE A 59 -14.452 -1.330 1.048 1.00 0.77 H new ATOM 0 HB2 PHE A 59 -15.946 0.041 3.287 1.00 0.80 H new ATOM 0 HB3 PHE A 59 -14.405 -0.733 3.600 1.00 0.80 H new ATOM 0 HD1 PHE A 59 -15.853 1.542 0.980 1.00 1.04 H new ATOM 0 HD2 PHE A 59 -12.565 0.652 3.537 1.00 1.07 H new ATOM 0 HE1 PHE A 59 -14.670 3.530 0.148 1.00 1.06 H new ATOM 0 HE2 PHE A 59 -11.385 2.644 2.712 1.00 1.10 H new ATOM 0 HZ PHE A 59 -12.435 4.080 1.014 1.00 0.80 H new ATOM 913 N LEU A 60 -14.359 -3.368 2.506 1.00 1.19 N ATOM 914 CA LEU A 60 -14.320 -4.709 3.090 1.00 1.38 C ATOM 915 C LEU A 60 -14.891 -5.745 2.122 1.00 1.95 C ATOM 916 O LEU A 60 -14.163 -6.278 1.287 1.00 2.65 O ATOM 917 CB LEU A 60 -15.038 -4.756 4.447 1.00 1.84 C ATOM 918 CG LEU A 60 -14.847 -6.046 5.249 1.00 2.35 C ATOM 919 CD1 LEU A 60 -13.374 -6.265 5.559 1.00 2.89 C ATOM 920 CD2 LEU A 60 -15.664 -5.999 6.533 1.00 3.21 C ATOM 0 H LEU A 60 -13.441 -3.013 2.239 1.00 1.19 H new ATOM 0 HA LEU A 60 -13.275 -4.960 3.269 1.00 1.38 H new ATOM 0 HB2 LEU A 60 -14.691 -3.918 5.051 1.00 1.84 H new ATOM 0 HB3 LEU A 60 -16.105 -4.607 4.279 1.00 1.84 H new ATOM 0 HG LEU A 60 -15.200 -6.884 4.648 1.00 2.35 H new ATOM 0 HD11 LEU A 60 -13.255 -7.186 6.130 1.00 2.89 H new ATOM 0 HD12 LEU A 60 -12.813 -6.340 4.627 1.00 2.89 H new ATOM 0 HD13 LEU A 60 -12.996 -5.425 6.143 1.00 2.89 H new ATOM 0 HD21 LEU A 60 -15.517 -6.923 7.092 1.00 3.21 H new ATOM 0 HD22 LEU A 60 -15.340 -5.153 7.140 1.00 3.21 H new ATOM 0 HD23 LEU A 60 -16.720 -5.887 6.288 1.00 3.21 H new ATOM 932 N ASP A 61 -16.188 -6.016 2.206 1.00 2.43 N ATOM 933 CA ASP A 61 -16.814 -7.001 1.332 1.00 3.40 C ATOM 934 C ASP A 61 -18.326 -6.961 1.460 1.00 3.45 C ATOM 935 O ASP A 61 -18.873 -6.357 2.385 1.00 3.73 O ATOM 936 CB ASP A 61 -16.311 -8.427 1.630 1.00 4.36 C ATOM 937 CG ASP A 61 -16.703 -8.935 3.007 1.00 5.14 C ATOM 938 OD1 ASP A 61 -17.829 -9.460 3.152 1.00 5.61 O ATOM 939 OD2 ASP A 61 -15.906 -8.783 3.958 1.00 5.55 O ATOM 0 H ASP A 61 -16.824 -5.570 2.867 1.00 2.43 H new ATOM 0 HA ASP A 61 -16.534 -6.741 0.311 1.00 3.40 H new ATOM 0 HB2 ASP A 61 -16.705 -9.107 0.875 1.00 4.36 H new ATOM 0 HB3 ASP A 61 -15.225 -8.446 1.540 1.00 4.36 H new ATOM 944 N THR A 62 -18.987 -7.596 0.514 1.00 3.65 N ATOM 945 CA THR A 62 -20.424 -7.750 0.543 1.00 4.03 C ATOM 946 C THR A 62 -20.761 -9.221 0.321 1.00 4.27 C ATOM 947 O THR A 62 -20.153 -9.876 -0.529 1.00 4.71 O ATOM 948 CB THR A 62 -21.121 -6.868 -0.527 1.00 4.83 C ATOM 949 OG1 THR A 62 -22.542 -7.063 -0.500 1.00 5.19 O ATOM 950 CG2 THR A 62 -20.597 -7.167 -1.924 1.00 5.45 C ATOM 0 H THR A 62 -18.540 -8.021 -0.298 1.00 3.65 H new ATOM 0 HA THR A 62 -20.792 -7.421 1.515 1.00 4.03 H new ATOM 0 HB THR A 62 -20.894 -5.830 -0.285 1.00 4.83 H new ATOM 0 HG1 THR A 62 -22.963 -6.497 -1.180 1.00 5.19 H new ATOM 0 HG21 THR A 62 -21.107 -6.531 -2.648 1.00 5.45 H new ATOM 0 HG22 THR A 62 -19.525 -6.971 -1.960 1.00 5.45 H new ATOM 0 HG23 THR A 62 -20.783 -8.213 -2.166 1.00 5.45 H new ATOM 958 N PRO A 63 -21.703 -9.764 1.109 1.00 4.49 N ATOM 959 CA PRO A 63 -22.100 -11.175 1.026 1.00 5.20 C ATOM 960 C PRO A 63 -22.423 -11.610 -0.398 1.00 5.56 C ATOM 961 O PRO A 63 -23.465 -11.251 -0.946 1.00 6.11 O ATOM 962 CB PRO A 63 -23.354 -11.239 1.902 1.00 5.69 C ATOM 963 CG PRO A 63 -23.183 -10.135 2.883 1.00 5.34 C ATOM 964 CD PRO A 63 -22.451 -9.043 2.157 1.00 4.58 C ATOM 0 HA PRO A 63 -21.300 -11.842 1.348 1.00 5.20 H new ATOM 0 HB2 PRO A 63 -24.259 -11.106 1.309 1.00 5.69 H new ATOM 0 HB3 PRO A 63 -23.440 -12.204 2.402 1.00 5.69 H new ATOM 0 HG2 PRO A 63 -24.149 -9.783 3.246 1.00 5.34 H new ATOM 0 HG3 PRO A 63 -22.619 -10.471 3.753 1.00 5.34 H new ATOM 0 HD2 PRO A 63 -23.140 -8.315 1.729 1.00 4.58 H new ATOM 0 HD3 PRO A 63 -21.783 -8.497 2.823 1.00 4.58 H new ATOM 972 N GLY A 64 -21.525 -12.384 -0.989 1.00 5.49 N ATOM 973 CA GLY A 64 -21.711 -12.823 -2.355 1.00 6.04 C ATOM 974 C GLY A 64 -20.556 -12.413 -3.249 1.00 5.99 C ATOM 975 O GLY A 64 -20.325 -13.019 -4.295 1.00 6.36 O ATOM 0 H GLY A 64 -20.669 -12.716 -0.545 1.00 5.49 H new ATOM 0 HA2 GLY A 64 -21.817 -13.908 -2.375 1.00 6.04 H new ATOM 0 HA3 GLY A 64 -22.638 -12.405 -2.747 1.00 6.04 H new ATOM 979 N HIS A 65 -19.834 -11.379 -2.835 1.00 5.85 N ATOM 980 CA HIS A 65 -18.694 -10.876 -3.594 1.00 6.04 C ATOM 981 C HIS A 65 -17.542 -10.528 -2.661 1.00 5.42 C ATOM 982 O HIS A 65 -17.151 -9.370 -2.542 1.00 5.51 O ATOM 983 CB HIS A 65 -19.084 -9.651 -4.428 1.00 6.53 C ATOM 984 CG HIS A 65 -19.249 -9.940 -5.888 1.00 7.30 C ATOM 985 ND1 HIS A 65 -19.309 -8.957 -6.847 1.00 8.05 N ATOM 986 CD2 HIS A 65 -19.356 -11.115 -6.549 1.00 7.71 C ATOM 987 CE1 HIS A 65 -19.447 -9.512 -8.036 1.00 8.78 C ATOM 988 NE2 HIS A 65 -19.476 -10.824 -7.884 1.00 8.61 N ATOM 0 H HIS A 65 -20.019 -10.869 -1.971 1.00 5.85 H new ATOM 0 HA HIS A 65 -18.372 -11.665 -4.274 1.00 6.04 H new ATOM 0 HB2 HIS A 65 -20.017 -9.242 -4.041 1.00 6.53 H new ATOM 0 HB3 HIS A 65 -18.322 -8.881 -4.304 1.00 6.53 H new ATOM 0 HD2 HIS A 65 -19.348 -12.100 -6.107 1.00 7.71 H new ATOM 0 HE1 HIS A 65 -19.523 -8.983 -8.975 1.00 8.78 H new ATOM 0 HE2 HIS A 65 -19.572 -11.507 -8.635 1.00 8.61 H new ATOM 997 N GLU A 66 -17.029 -11.535 -1.983 1.00 5.13 N ATOM 998 CA GLU A 66 -15.897 -11.369 -1.093 1.00 4.83 C ATOM 999 C GLU A 66 -14.607 -11.559 -1.883 1.00 4.30 C ATOM 1000 O GLU A 66 -14.433 -12.571 -2.562 1.00 4.72 O ATOM 1001 CB GLU A 66 -15.952 -12.384 0.061 1.00 5.31 C ATOM 1002 CG GLU A 66 -17.317 -12.510 0.731 1.00 5.97 C ATOM 1003 CD GLU A 66 -18.301 -13.349 -0.070 1.00 6.59 C ATOM 1004 OE1 GLU A 66 -17.929 -13.847 -1.153 1.00 7.05 O ATOM 1005 OE2 GLU A 66 -19.457 -13.507 0.375 1.00 6.87 O ATOM 0 H GLU A 66 -17.384 -12.490 -2.033 1.00 5.13 H new ATOM 0 HA GLU A 66 -15.930 -10.366 -0.667 1.00 4.83 H new ATOM 0 HB2 GLU A 66 -15.656 -13.362 -0.318 1.00 5.31 H new ATOM 0 HB3 GLU A 66 -15.217 -12.099 0.814 1.00 5.31 H new ATOM 0 HG2 GLU A 66 -17.191 -12.954 1.719 1.00 5.97 H new ATOM 0 HG3 GLU A 66 -17.735 -11.514 0.880 1.00 5.97 H new ATOM 1012 N ALA A 67 -13.719 -10.580 -1.819 1.00 3.82 N ATOM 1013 CA ALA A 67 -12.478 -10.643 -2.576 1.00 3.70 C ATOM 1014 C ALA A 67 -11.287 -10.954 -1.678 1.00 2.58 C ATOM 1015 O ALA A 67 -10.653 -12.004 -1.798 1.00 2.95 O ATOM 1016 CB ALA A 67 -12.251 -9.338 -3.325 1.00 4.55 C ATOM 0 H ALA A 67 -13.832 -9.738 -1.255 1.00 3.82 H new ATOM 0 HA ALA A 67 -12.569 -11.456 -3.296 1.00 3.70 H new ATOM 0 HB1 ALA A 67 -11.319 -9.399 -3.887 1.00 4.55 H new ATOM 0 HB2 ALA A 67 -13.079 -9.164 -4.012 1.00 4.55 H new ATOM 0 HB3 ALA A 67 -12.192 -8.515 -2.613 1.00 4.55 H new ATOM 1022 N PHE A 68 -10.983 -10.040 -0.775 1.00 1.79 N ATOM 1023 CA PHE A 68 -9.806 -10.181 0.066 1.00 1.15 C ATOM 1024 C PHE A 68 -10.155 -10.717 1.447 1.00 1.77 C ATOM 1025 O PHE A 68 -9.271 -11.122 2.195 1.00 2.37 O ATOM 1026 CB PHE A 68 -9.077 -8.850 0.151 1.00 1.18 C ATOM 1027 CG PHE A 68 -8.610 -8.367 -1.189 1.00 1.12 C ATOM 1028 CD1 PHE A 68 -7.476 -8.904 -1.772 1.00 1.08 C ATOM 1029 CD2 PHE A 68 -9.317 -7.392 -1.874 1.00 1.67 C ATOM 1030 CE1 PHE A 68 -7.051 -8.476 -3.010 1.00 1.52 C ATOM 1031 CE2 PHE A 68 -8.897 -6.962 -3.115 1.00 2.10 C ATOM 1032 CZ PHE A 68 -7.761 -7.503 -3.683 1.00 2.00 C ATOM 0 H PHE A 68 -11.530 -9.196 -0.605 1.00 1.79 H new ATOM 0 HA PHE A 68 -9.143 -10.916 -0.390 1.00 1.15 H new ATOM 0 HB2 PHE A 68 -9.738 -8.104 0.593 1.00 1.18 H new ATOM 0 HB3 PHE A 68 -8.220 -8.950 0.817 1.00 1.18 H new ATOM 0 HD1 PHE A 68 -6.918 -9.667 -1.250 1.00 1.08 H new ATOM 0 HD2 PHE A 68 -10.205 -6.965 -1.432 1.00 1.67 H new ATOM 0 HE1 PHE A 68 -6.163 -8.901 -3.454 1.00 1.52 H new ATOM 0 HE2 PHE A 68 -9.456 -6.203 -3.642 1.00 2.10 H new ATOM 0 HZ PHE A 68 -7.428 -7.165 -4.653 1.00 2.00 H new ATOM 1042 N THR A 69 -11.437 -10.734 1.778 1.00 2.35 N ATOM 1043 CA THR A 69 -11.885 -11.342 3.020 1.00 3.31 C ATOM 1044 C THR A 69 -11.836 -12.865 2.906 1.00 3.54 C ATOM 1045 O THR A 69 -11.247 -13.550 3.741 1.00 3.89 O ATOM 1046 CB THR A 69 -13.318 -10.895 3.367 1.00 4.11 C ATOM 1047 OG1 THR A 69 -13.418 -9.470 3.252 1.00 4.46 O ATOM 1048 CG2 THR A 69 -13.698 -11.325 4.776 1.00 4.90 C ATOM 0 H THR A 69 -12.182 -10.336 1.207 1.00 2.35 H new ATOM 0 HA THR A 69 -11.217 -11.016 3.817 1.00 3.31 H new ATOM 0 HB THR A 69 -14.006 -11.370 2.668 1.00 4.11 H new ATOM 0 HG1 THR A 69 -14.165 -9.149 3.799 1.00 4.46 H new ATOM 0 HG21 THR A 69 -14.714 -10.997 4.995 1.00 4.90 H new ATOM 0 HG22 THR A 69 -13.643 -12.411 4.852 1.00 4.90 H new ATOM 0 HG23 THR A 69 -13.009 -10.876 5.492 1.00 4.90 H new ATOM 1056 N THR A 70 -12.454 -13.387 1.855 1.00 3.82 N ATOM 1057 CA THR A 70 -12.464 -14.817 1.584 1.00 4.35 C ATOM 1058 C THR A 70 -12.699 -15.038 0.095 1.00 4.41 C ATOM 1059 O THR A 70 -13.485 -14.320 -0.514 1.00 4.95 O ATOM 1060 CB THR A 70 -13.573 -15.531 2.389 1.00 5.16 C ATOM 1061 OG1 THR A 70 -13.501 -15.159 3.772 1.00 5.40 O ATOM 1062 CG2 THR A 70 -13.447 -17.044 2.266 1.00 5.84 C ATOM 0 H THR A 70 -12.962 -12.831 1.167 1.00 3.82 H new ATOM 0 HA THR A 70 -11.503 -15.234 1.884 1.00 4.35 H new ATOM 0 HB THR A 70 -14.535 -15.224 1.979 1.00 5.16 H new ATOM 0 HG1 THR A 70 -14.209 -15.617 4.271 1.00 5.40 H new ATOM 0 HG21 THR A 70 -14.239 -17.523 2.842 1.00 5.84 H new ATOM 0 HG22 THR A 70 -13.534 -17.332 1.218 1.00 5.84 H new ATOM 0 HG23 THR A 70 -12.477 -17.361 2.650 1.00 5.84 H new ATOM 1070 N MET A 71 -12.011 -15.999 -0.500 1.00 4.19 N ATOM 1071 CA MET A 71 -12.186 -16.280 -1.919 1.00 4.50 C ATOM 1072 C MET A 71 -12.979 -17.561 -2.119 1.00 4.86 C ATOM 1073 O MET A 71 -12.428 -18.661 -2.064 1.00 5.21 O ATOM 1074 CB MET A 71 -10.835 -16.375 -2.628 1.00 4.42 C ATOM 1075 CG MET A 71 -10.136 -15.036 -2.775 1.00 4.38 C ATOM 1076 SD MET A 71 -8.576 -15.153 -3.672 1.00 4.69 S ATOM 1077 CE MET A 71 -8.100 -13.429 -3.752 1.00 4.34 C ATOM 0 H MET A 71 -11.331 -16.595 -0.028 1.00 4.19 H new ATOM 0 HA MET A 71 -12.745 -15.454 -2.358 1.00 4.50 H new ATOM 0 HB2 MET A 71 -10.189 -17.055 -2.073 1.00 4.42 H new ATOM 0 HB3 MET A 71 -10.982 -16.810 -3.616 1.00 4.42 H new ATOM 0 HG2 MET A 71 -10.797 -14.342 -3.295 1.00 4.38 H new ATOM 0 HG3 MET A 71 -9.950 -14.619 -1.785 1.00 4.38 H new ATOM 0 HE1 MET A 71 -7.026 -13.340 -3.588 1.00 4.34 H new ATOM 0 HE2 MET A 71 -8.352 -13.027 -4.733 1.00 4.34 H new ATOM 0 HE3 MET A 71 -8.632 -12.869 -2.983 1.00 4.34 H new ATOM 1087 N ARG A 72 -14.279 -17.407 -2.349 1.00 5.04 N ATOM 1088 CA ARG A 72 -15.167 -18.541 -2.577 1.00 5.54 C ATOM 1089 C ARG A 72 -14.762 -19.294 -3.838 1.00 5.80 C ATOM 1090 O ARG A 72 -14.487 -20.494 -3.795 1.00 6.36 O ATOM 1091 CB ARG A 72 -16.614 -18.057 -2.695 1.00 5.95 C ATOM 1092 CG ARG A 72 -17.630 -19.169 -2.921 1.00 6.36 C ATOM 1093 CD ARG A 72 -19.050 -18.617 -2.981 1.00 6.73 C ATOM 1094 NE ARG A 72 -19.459 -18.015 -1.710 1.00 7.09 N ATOM 1095 CZ ARG A 72 -19.492 -16.701 -1.481 1.00 7.63 C ATOM 1096 NH1 ARG A 72 -19.152 -15.851 -2.440 1.00 7.86 N ATOM 1097 NH2 ARG A 72 -19.866 -16.237 -0.294 1.00 8.21 N ATOM 0 H ARG A 72 -14.744 -16.500 -2.382 1.00 5.04 H new ATOM 0 HA ARG A 72 -15.087 -19.221 -1.729 1.00 5.54 H new ATOM 0 HB2 ARG A 72 -16.880 -17.517 -1.786 1.00 5.95 H new ATOM 0 HB3 ARG A 72 -16.681 -17.346 -3.519 1.00 5.95 H new ATOM 0 HG2 ARG A 72 -17.401 -19.691 -3.850 1.00 6.36 H new ATOM 0 HG3 ARG A 72 -17.556 -19.901 -2.117 1.00 6.36 H new ATOM 0 HD2 ARG A 72 -19.116 -17.871 -3.773 1.00 6.73 H new ATOM 0 HD3 ARG A 72 -19.740 -19.420 -3.241 1.00 6.73 H new ATOM 0 HE ARG A 72 -19.736 -18.639 -0.952 1.00 7.09 H new ATOM 0 HH11 ARG A 72 -18.865 -16.201 -3.354 1.00 7.86 H new ATOM 0 HH12 ARG A 72 -19.178 -14.847 -2.264 1.00 7.86 H new ATOM 0 HH21 ARG A 72 -20.130 -16.886 0.447 1.00 8.21 H new ATOM 0 HH22 ARG A 72 -19.890 -15.232 -0.124 1.00 8.21 H new ATOM 1111 N ALA A 73 -14.722 -18.589 -4.959 1.00 5.58 N ATOM 1112 CA ALA A 73 -14.329 -19.195 -6.224 1.00 6.01 C ATOM 1113 C ALA A 73 -13.119 -18.481 -6.813 1.00 5.86 C ATOM 1114 O ALA A 73 -12.787 -18.669 -7.986 1.00 6.36 O ATOM 1115 CB ALA A 73 -15.492 -19.173 -7.202 1.00 6.36 C ATOM 0 H ALA A 73 -14.956 -17.598 -5.019 1.00 5.58 H new ATOM 0 HA ALA A 73 -14.051 -20.232 -6.037 1.00 6.01 H new ATOM 0 HB1 ALA A 73 -15.185 -19.629 -8.143 1.00 6.36 H new ATOM 0 HB2 ALA A 73 -16.329 -19.732 -6.784 1.00 6.36 H new ATOM 0 HB3 ALA A 73 -15.797 -18.142 -7.381 1.00 6.36 H new ATOM 1121 N ARG A 74 -12.475 -17.650 -5.982 1.00 5.40 N ATOM 1122 CA ARG A 74 -11.298 -16.862 -6.375 1.00 5.50 C ATOM 1123 C ARG A 74 -11.665 -15.744 -7.353 1.00 5.18 C ATOM 1124 O ARG A 74 -11.396 -14.569 -7.093 1.00 5.49 O ATOM 1125 CB ARG A 74 -10.210 -17.745 -7.000 1.00 6.12 C ATOM 1126 CG ARG A 74 -8.934 -16.987 -7.341 1.00 6.76 C ATOM 1127 CD ARG A 74 -8.140 -17.683 -8.436 1.00 7.55 C ATOM 1128 NE ARG A 74 -7.754 -19.043 -8.072 1.00 8.14 N ATOM 1129 CZ ARG A 74 -8.044 -20.118 -8.800 1.00 8.93 C ATOM 1130 NH1 ARG A 74 -8.783 -20.004 -9.900 1.00 9.21 N ATOM 1131 NH2 ARG A 74 -7.599 -21.308 -8.423 1.00 9.65 N ATOM 0 H ARG A 74 -12.757 -17.505 -5.013 1.00 5.40 H new ATOM 0 HA ARG A 74 -10.909 -16.415 -5.460 1.00 5.50 H new ATOM 0 HB2 ARG A 74 -9.969 -18.554 -6.310 1.00 6.12 H new ATOM 0 HB3 ARG A 74 -10.603 -18.205 -7.907 1.00 6.12 H new ATOM 0 HG2 ARG A 74 -9.186 -15.976 -7.661 1.00 6.76 H new ATOM 0 HG3 ARG A 74 -8.317 -16.894 -6.448 1.00 6.76 H new ATOM 0 HD2 ARG A 74 -8.734 -17.710 -9.349 1.00 7.55 H new ATOM 0 HD3 ARG A 74 -7.245 -17.102 -8.656 1.00 7.55 H new ATOM 0 HE ARG A 74 -7.230 -19.177 -7.207 1.00 8.14 H new ATOM 0 HH11 ARG A 74 -9.130 -19.089 -10.189 1.00 9.21 H new ATOM 0 HH12 ARG A 74 -9.003 -20.831 -10.455 1.00 9.21 H new ATOM 0 HH21 ARG A 74 -7.036 -21.397 -7.577 1.00 9.65 H new ATOM 0 HH22 ARG A 74 -7.819 -22.134 -8.979 1.00 9.65 H new ATOM 1145 N GLY A 75 -12.285 -16.110 -8.467 1.00 4.93 N ATOM 1146 CA GLY A 75 -12.575 -15.158 -9.520 1.00 4.87 C ATOM 1147 C GLY A 75 -13.785 -14.290 -9.237 1.00 4.49 C ATOM 1148 O GLY A 75 -14.726 -14.245 -10.034 1.00 4.54 O ATOM 0 H GLY A 75 -12.596 -17.062 -8.661 1.00 4.93 H new ATOM 0 HA2 GLY A 75 -11.706 -14.518 -9.669 1.00 4.87 H new ATOM 0 HA3 GLY A 75 -12.736 -15.698 -10.453 1.00 4.87 H new ATOM 1152 N ALA A 76 -13.772 -13.609 -8.101 1.00 4.53 N ATOM 1153 CA ALA A 76 -14.814 -12.644 -7.766 1.00 4.52 C ATOM 1154 C ALA A 76 -14.333 -11.240 -8.108 1.00 3.91 C ATOM 1155 O ALA A 76 -15.051 -10.254 -7.944 1.00 4.15 O ATOM 1156 CB ALA A 76 -15.179 -12.742 -6.291 1.00 5.47 C ATOM 0 H ALA A 76 -13.047 -13.706 -7.390 1.00 4.53 H new ATOM 0 HA ALA A 76 -15.708 -12.866 -8.348 1.00 4.52 H new ATOM 0 HB1 ALA A 76 -15.957 -12.015 -6.060 1.00 5.47 H new ATOM 0 HB2 ALA A 76 -15.543 -13.746 -6.072 1.00 5.47 H new ATOM 0 HB3 ALA A 76 -14.298 -12.536 -5.684 1.00 5.47 H new ATOM 1162 N GLN A 77 -13.102 -11.183 -8.595 1.00 3.61 N ATOM 1163 CA GLN A 77 -12.452 -9.935 -8.952 1.00 3.40 C ATOM 1164 C GLN A 77 -12.781 -9.546 -10.388 1.00 2.90 C ATOM 1165 O GLN A 77 -12.626 -10.351 -11.311 1.00 3.33 O ATOM 1166 CB GLN A 77 -10.938 -10.095 -8.800 1.00 4.25 C ATOM 1167 CG GLN A 77 -10.132 -8.876 -9.225 1.00 4.87 C ATOM 1168 CD GLN A 77 -8.664 -9.198 -9.429 1.00 5.70 C ATOM 1169 OE1 GLN A 77 -8.161 -10.189 -8.707 1.00 6.14 O flip ATOM 1170 NE2 GLN A 77 -7.986 -8.566 -10.235 1.00 6.26 N flip ATOM 0 H GLN A 77 -12.524 -12.008 -8.754 1.00 3.61 H new ATOM 0 HA GLN A 77 -12.814 -9.149 -8.290 1.00 3.40 H new ATOM 0 HB2 GLN A 77 -10.711 -10.320 -7.758 1.00 4.25 H new ATOM 0 HB3 GLN A 77 -10.614 -10.953 -9.389 1.00 4.25 H new ATOM 0 HG2 GLN A 77 -10.545 -8.475 -10.150 1.00 4.87 H new ATOM 0 HG3 GLN A 77 -10.229 -8.097 -8.468 1.00 4.87 H new ATOM 0 HE21 GLN A 77 -8.408 -7.809 -10.773 1.00 6.26 H new ATOM 0 HE22 GLN A 77 -7.001 -8.798 -10.366 1.00 6.26 H new ATOM 1179 N VAL A 78 -13.235 -8.319 -10.573 1.00 2.65 N ATOM 1180 CA VAL A 78 -13.469 -7.787 -11.909 1.00 2.75 C ATOM 1181 C VAL A 78 -12.504 -6.633 -12.189 1.00 2.21 C ATOM 1182 O VAL A 78 -11.833 -6.599 -13.225 1.00 2.72 O ATOM 1183 CB VAL A 78 -14.947 -7.344 -12.096 1.00 3.65 C ATOM 1184 CG1 VAL A 78 -15.384 -6.362 -11.020 1.00 4.31 C ATOM 1185 CG2 VAL A 78 -15.168 -6.756 -13.482 1.00 4.21 C ATOM 0 H VAL A 78 -13.450 -7.670 -9.816 1.00 2.65 H new ATOM 0 HA VAL A 78 -13.281 -8.581 -12.632 1.00 2.75 H new ATOM 0 HB VAL A 78 -15.566 -8.236 -11.997 1.00 3.65 H new ATOM 0 HG11 VAL A 78 -16.423 -6.078 -11.187 1.00 4.31 H new ATOM 0 HG12 VAL A 78 -15.289 -6.830 -10.040 1.00 4.31 H new ATOM 0 HG13 VAL A 78 -14.754 -5.474 -11.060 1.00 4.31 H new ATOM 0 HG21 VAL A 78 -16.210 -6.454 -13.587 1.00 4.21 H new ATOM 0 HG22 VAL A 78 -14.523 -5.887 -13.616 1.00 4.21 H new ATOM 0 HG23 VAL A 78 -14.929 -7.505 -14.237 1.00 4.21 H new ATOM 1195 N THR A 79 -12.429 -5.707 -11.240 1.00 1.82 N ATOM 1196 CA THR A 79 -11.492 -4.588 -11.281 1.00 1.90 C ATOM 1197 C THR A 79 -11.425 -3.964 -9.896 1.00 1.53 C ATOM 1198 O THR A 79 -11.376 -2.746 -9.738 1.00 1.82 O ATOM 1199 CB THR A 79 -11.901 -3.503 -12.303 1.00 2.70 C ATOM 1200 OG1 THR A 79 -13.204 -3.779 -12.844 1.00 3.20 O ATOM 1201 CG2 THR A 79 -10.883 -3.409 -13.427 1.00 3.41 C ATOM 0 H THR A 79 -13.023 -5.711 -10.411 1.00 1.82 H new ATOM 0 HA THR A 79 -10.523 -4.977 -11.593 1.00 1.90 H new ATOM 0 HB THR A 79 -11.933 -2.547 -11.780 1.00 2.70 H new ATOM 0 HG1 THR A 79 -13.446 -3.081 -13.488 1.00 3.20 H new ATOM 0 HG21 THR A 79 -11.192 -2.639 -14.134 1.00 3.41 H new ATOM 0 HG22 THR A 79 -9.908 -3.152 -13.014 1.00 3.41 H new ATOM 0 HG23 THR A 79 -10.818 -4.368 -13.941 1.00 3.41 H new ATOM 1209 N ASP A 80 -11.445 -4.831 -8.898 1.00 1.21 N ATOM 1210 CA ASP A 80 -11.560 -4.420 -7.512 1.00 1.14 C ATOM 1211 C ASP A 80 -10.212 -3.982 -6.957 1.00 0.88 C ATOM 1212 O ASP A 80 -9.168 -4.240 -7.552 1.00 1.12 O ATOM 1213 CB ASP A 80 -12.139 -5.562 -6.678 1.00 1.60 C ATOM 1214 CG ASP A 80 -13.459 -6.059 -7.239 1.00 2.14 C ATOM 1215 OD1 ASP A 80 -13.441 -6.876 -8.185 1.00 2.60 O ATOM 1216 OD2 ASP A 80 -14.522 -5.645 -6.716 1.00 2.66 O ATOM 0 H ASP A 80 -11.382 -5.841 -9.028 1.00 1.21 H new ATOM 0 HA ASP A 80 -12.234 -3.565 -7.460 1.00 1.14 H new ATOM 0 HB2 ASP A 80 -11.426 -6.385 -6.645 1.00 1.60 H new ATOM 0 HB3 ASP A 80 -12.285 -5.225 -5.652 1.00 1.60 H new ATOM 1221 N ILE A 81 -10.249 -3.323 -5.808 1.00 0.63 N ATOM 1222 CA ILE A 81 -9.063 -2.721 -5.219 1.00 0.42 C ATOM 1223 C ILE A 81 -8.945 -3.146 -3.760 1.00 0.38 C ATOM 1224 O ILE A 81 -9.956 -3.380 -3.105 1.00 0.57 O ATOM 1225 CB ILE A 81 -9.156 -1.179 -5.286 1.00 0.42 C ATOM 1226 CG1 ILE A 81 -9.468 -0.721 -6.712 1.00 0.56 C ATOM 1227 CG2 ILE A 81 -7.868 -0.528 -4.801 1.00 0.50 C ATOM 1228 CD1 ILE A 81 -9.775 0.757 -6.823 1.00 0.71 C ATOM 0 H ILE A 81 -11.099 -3.191 -5.260 1.00 0.63 H new ATOM 0 HA ILE A 81 -8.188 -3.055 -5.777 1.00 0.42 H new ATOM 0 HB ILE A 81 -9.967 -0.867 -4.628 1.00 0.42 H new ATOM 0 HG12 ILE A 81 -8.619 -0.956 -7.354 1.00 0.56 H new ATOM 0 HG13 ILE A 81 -10.319 -1.289 -7.089 1.00 0.56 H new ATOM 0 HG21 ILE A 81 -7.964 0.556 -4.860 1.00 0.50 H new ATOM 0 HG22 ILE A 81 -7.679 -0.820 -3.768 1.00 0.50 H new ATOM 0 HG23 ILE A 81 -7.038 -0.853 -5.428 1.00 0.50 H new ATOM 0 HD11 ILE A 81 -9.986 1.008 -7.863 1.00 0.71 H new ATOM 0 HD12 ILE A 81 -10.643 0.995 -6.209 1.00 0.71 H new ATOM 0 HD13 ILE A 81 -8.917 1.334 -6.478 1.00 0.71 H new ATOM 1240 N VAL A 82 -7.727 -3.254 -3.244 1.00 0.27 N ATOM 1241 CA VAL A 82 -7.561 -3.548 -1.829 1.00 0.28 C ATOM 1242 C VAL A 82 -6.862 -2.402 -1.124 1.00 0.23 C ATOM 1243 O VAL A 82 -5.895 -1.834 -1.629 1.00 0.26 O ATOM 1244 CB VAL A 82 -6.774 -4.850 -1.570 1.00 0.35 C ATOM 1245 CG1 VAL A 82 -5.390 -4.748 -2.158 1.00 1.02 C ATOM 1246 CG2 VAL A 82 -6.687 -5.153 -0.074 1.00 1.17 C ATOM 0 H VAL A 82 -6.860 -3.145 -3.770 1.00 0.27 H new ATOM 0 HA VAL A 82 -8.567 -3.682 -1.430 1.00 0.28 H new ATOM 0 HB VAL A 82 -7.308 -5.669 -2.053 1.00 0.35 H new ATOM 0 HG11 VAL A 82 -4.845 -5.673 -1.968 1.00 1.02 H new ATOM 0 HG12 VAL A 82 -5.463 -4.583 -3.233 1.00 1.02 H new ATOM 0 HG13 VAL A 82 -4.860 -3.914 -1.698 1.00 1.02 H new ATOM 0 HG21 VAL A 82 -6.127 -6.076 0.078 1.00 1.17 H new ATOM 0 HG22 VAL A 82 -6.180 -4.333 0.434 1.00 1.17 H new ATOM 0 HG23 VAL A 82 -7.692 -5.267 0.333 1.00 1.17 H new ATOM 1256 N ILE A 83 -7.367 -2.061 0.034 1.00 0.22 N ATOM 1257 CA ILE A 83 -6.731 -1.083 0.875 1.00 0.19 C ATOM 1258 C ILE A 83 -5.884 -1.767 1.906 1.00 0.19 C ATOM 1259 O ILE A 83 -6.335 -2.671 2.606 1.00 0.24 O ATOM 1260 CB ILE A 83 -7.736 -0.149 1.566 1.00 0.22 C ATOM 1261 CG1 ILE A 83 -8.388 0.706 0.501 1.00 0.27 C ATOM 1262 CG2 ILE A 83 -7.043 0.715 2.622 1.00 0.24 C ATOM 1263 CD1 ILE A 83 -9.207 1.863 1.037 1.00 0.37 C ATOM 0 H ILE A 83 -8.227 -2.452 0.418 1.00 0.22 H new ATOM 0 HA ILE A 83 -6.109 -0.465 0.228 1.00 0.19 H new ATOM 0 HB ILE A 83 -8.495 -0.734 2.086 1.00 0.22 H new ATOM 0 HG12 ILE A 83 -7.612 1.100 -0.156 1.00 0.27 H new ATOM 0 HG13 ILE A 83 -9.032 0.074 -0.110 1.00 0.27 H new ATOM 0 HG21 ILE A 83 -7.776 1.367 3.097 1.00 0.24 H new ATOM 0 HG22 ILE A 83 -6.587 0.073 3.376 1.00 0.24 H new ATOM 0 HG23 ILE A 83 -6.272 1.321 2.147 1.00 0.24 H new ATOM 0 HD11 ILE A 83 -9.637 2.421 0.205 1.00 0.37 H new ATOM 0 HD12 ILE A 83 -10.008 1.480 1.669 1.00 0.37 H new ATOM 0 HD13 ILE A 83 -8.566 2.522 1.623 1.00 0.37 H new ATOM 1275 N LEU A 84 -4.660 -1.335 1.986 1.00 0.19 N ATOM 1276 CA LEU A 84 -3.738 -1.879 2.931 1.00 0.23 C ATOM 1277 C LEU A 84 -3.384 -0.781 3.928 1.00 0.24 C ATOM 1278 O LEU A 84 -2.744 0.209 3.576 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.508 -2.436 2.188 1.00 0.39 C ATOM 1280 CG LEU A 84 -1.352 -2.957 3.050 1.00 0.31 C ATOM 1281 CD1 LEU A 84 -0.513 -1.797 3.535 1.00 0.91 C ATOM 1282 CD2 LEU A 84 -1.860 -3.782 4.225 1.00 1.01 C ATOM 0 H LEU A 84 -4.276 -0.596 1.397 1.00 0.19 H new ATOM 0 HA LEU A 84 -4.171 -2.713 3.483 1.00 0.23 H new ATOM 0 HB2 LEU A 84 -2.841 -3.248 1.542 1.00 0.39 H new ATOM 0 HB3 LEU A 84 -2.120 -1.651 1.539 1.00 0.39 H new ATOM 0 HG LEU A 84 -0.735 -3.612 2.435 1.00 0.31 H new ATOM 0 HD11 LEU A 84 0.307 -2.172 4.147 1.00 0.91 H new ATOM 0 HD12 LEU A 84 -0.109 -1.257 2.679 1.00 0.91 H new ATOM 0 HD13 LEU A 84 -1.131 -1.124 4.129 1.00 0.91 H new ATOM 0 HD21 LEU A 84 -1.014 -4.135 4.814 1.00 1.01 H new ATOM 0 HD22 LEU A 84 -2.506 -3.165 4.850 1.00 1.01 H new ATOM 0 HD23 LEU A 84 -2.425 -4.637 3.852 1.00 1.01 H new ATOM 1294 N VAL A 85 -3.855 -0.927 5.150 1.00 0.21 N ATOM 1295 CA VAL A 85 -3.625 0.056 6.182 1.00 0.27 C ATOM 1296 C VAL A 85 -2.373 -0.276 6.985 1.00 0.25 C ATOM 1297 O VAL A 85 -2.282 -1.340 7.603 1.00 0.29 O ATOM 1298 CB VAL A 85 -4.834 0.140 7.132 1.00 0.34 C ATOM 1299 CG1 VAL A 85 -4.594 1.182 8.201 1.00 0.43 C ATOM 1300 CG2 VAL A 85 -6.104 0.450 6.356 1.00 0.40 C ATOM 0 H VAL A 85 -4.407 -1.730 5.452 1.00 0.21 H new ATOM 0 HA VAL A 85 -3.485 1.020 5.692 1.00 0.27 H new ATOM 0 HB VAL A 85 -4.959 -0.828 7.617 1.00 0.34 H new ATOM 0 HG11 VAL A 85 -5.458 1.229 8.864 1.00 0.43 H new ATOM 0 HG12 VAL A 85 -3.708 0.915 8.777 1.00 0.43 H new ATOM 0 HG13 VAL A 85 -4.443 2.155 7.733 1.00 0.43 H new ATOM 0 HG21 VAL A 85 -6.947 0.505 7.045 1.00 0.40 H new ATOM 0 HG22 VAL A 85 -5.992 1.405 5.842 1.00 0.40 H new ATOM 0 HG23 VAL A 85 -6.285 -0.337 5.624 1.00 0.40 H new ATOM 1310 N VAL A 86 -1.407 0.628 6.942 1.00 0.22 N ATOM 1311 CA VAL A 86 -0.202 0.502 7.733 1.00 0.20 C ATOM 1312 C VAL A 86 0.047 1.775 8.519 1.00 0.17 C ATOM 1313 O VAL A 86 0.165 2.860 7.954 1.00 0.22 O ATOM 1314 CB VAL A 86 1.032 0.196 6.868 1.00 0.23 C ATOM 1315 CG1 VAL A 86 1.103 -1.286 6.547 1.00 0.49 C ATOM 1316 CG2 VAL A 86 1.019 1.018 5.589 1.00 0.64 C ATOM 0 H VAL A 86 -1.439 1.465 6.359 1.00 0.22 H new ATOM 0 HA VAL A 86 -0.356 -0.336 8.413 1.00 0.20 H new ATOM 0 HB VAL A 86 1.920 0.471 7.437 1.00 0.23 H new ATOM 0 HG11 VAL A 86 1.982 -1.484 5.934 1.00 0.49 H new ATOM 0 HG12 VAL A 86 1.171 -1.856 7.474 1.00 0.49 H new ATOM 0 HG13 VAL A 86 0.207 -1.584 6.002 1.00 0.49 H new ATOM 0 HG21 VAL A 86 1.903 0.782 4.996 1.00 0.64 H new ATOM 0 HG22 VAL A 86 0.123 0.783 5.014 1.00 0.64 H new ATOM 0 HG23 VAL A 86 1.022 2.079 5.838 1.00 0.64 H new ATOM 1326 N ALA A 87 0.092 1.639 9.826 1.00 0.17 N ATOM 1327 CA ALA A 87 0.400 2.750 10.702 1.00 0.18 C ATOM 1328 C ALA A 87 1.821 3.229 10.464 1.00 0.16 C ATOM 1329 O ALA A 87 2.746 2.427 10.429 1.00 0.24 O ATOM 1330 CB ALA A 87 0.219 2.322 12.147 1.00 0.28 C ATOM 0 H ALA A 87 -0.083 0.759 10.311 1.00 0.17 H new ATOM 0 HA ALA A 87 -0.279 3.575 10.488 1.00 0.18 H new ATOM 0 HB1 ALA A 87 0.451 3.159 12.806 1.00 0.28 H new ATOM 0 HB2 ALA A 87 -0.813 2.009 12.307 1.00 0.28 H new ATOM 0 HB3 ALA A 87 0.889 1.491 12.367 1.00 0.28 H new ATOM 1336 N ALA A 88 1.999 4.535 10.312 1.00 0.12 N ATOM 1337 CA ALA A 88 3.318 5.088 10.043 1.00 0.14 C ATOM 1338 C ALA A 88 4.222 4.918 11.237 1.00 0.16 C ATOM 1339 O ALA A 88 5.439 5.035 11.132 1.00 0.22 O ATOM 1340 CB ALA A 88 3.220 6.564 9.703 1.00 0.17 C ATOM 0 H ALA A 88 1.251 5.226 10.370 1.00 0.12 H new ATOM 0 HA ALA A 88 3.736 4.547 9.194 1.00 0.14 H new ATOM 0 HB1 ALA A 88 4.217 6.959 9.505 1.00 0.17 H new ATOM 0 HB2 ALA A 88 2.596 6.693 8.818 1.00 0.17 H new ATOM 0 HB3 ALA A 88 2.776 7.102 10.541 1.00 0.17 H new ATOM 1346 N ASP A 89 3.614 4.675 12.372 1.00 0.16 N ATOM 1347 CA ASP A 89 4.377 4.516 13.600 1.00 0.21 C ATOM 1348 C ASP A 89 4.768 3.056 13.826 1.00 0.22 C ATOM 1349 O ASP A 89 5.649 2.758 14.633 1.00 0.37 O ATOM 1350 CB ASP A 89 3.582 5.039 14.797 1.00 0.30 C ATOM 1351 CG ASP A 89 2.818 3.948 15.539 1.00 0.39 C ATOM 1352 OD1 ASP A 89 1.951 3.290 14.928 1.00 0.47 O ATOM 1353 OD2 ASP A 89 3.073 3.760 16.747 1.00 0.58 O ATOM 0 H ASP A 89 2.604 4.583 12.478 1.00 0.16 H new ATOM 0 HA ASP A 89 5.292 5.100 13.500 1.00 0.21 H new ATOM 0 HB2 ASP A 89 4.264 5.530 15.490 1.00 0.30 H new ATOM 0 HB3 ASP A 89 2.877 5.796 14.453 1.00 0.30 H new ATOM 1358 N ASP A 90 4.130 2.154 13.089 1.00 0.19 N ATOM 1359 CA ASP A 90 4.263 0.724 13.353 1.00 0.23 C ATOM 1360 C ASP A 90 4.752 -0.014 12.106 1.00 0.25 C ATOM 1361 O ASP A 90 5.686 -0.817 12.170 1.00 0.42 O ATOM 1362 CB ASP A 90 2.913 0.177 13.820 1.00 0.26 C ATOM 1363 CG ASP A 90 3.033 -0.997 14.769 1.00 0.36 C ATOM 1364 OD1 ASP A 90 3.885 -0.946 15.680 1.00 0.56 O ATOM 1365 OD2 ASP A 90 2.245 -1.956 14.634 1.00 0.46 O ATOM 0 H ASP A 90 3.518 2.385 12.307 1.00 0.19 H new ATOM 0 HA ASP A 90 5.004 0.566 14.136 1.00 0.23 H new ATOM 0 HB2 ASP A 90 2.356 0.975 14.311 1.00 0.26 H new ATOM 0 HB3 ASP A 90 2.332 -0.128 12.949 1.00 0.26 H new ATOM 1370 N GLY A 91 4.124 0.277 10.968 1.00 0.20 N ATOM 1371 CA GLY A 91 4.567 -0.269 9.695 1.00 0.21 C ATOM 1372 C GLY A 91 4.027 -1.659 9.424 1.00 0.22 C ATOM 1373 O GLY A 91 2.943 -2.012 9.876 1.00 0.37 O ATOM 0 H GLY A 91 3.309 0.887 10.906 1.00 0.20 H new ATOM 0 HA2 GLY A 91 4.255 0.399 8.892 1.00 0.21 H new ATOM 0 HA3 GLY A 91 5.656 -0.299 9.679 1.00 0.21 H new ATOM 1377 N VAL A 92 4.779 -2.436 8.669 1.00 0.26 N ATOM 1378 CA VAL A 92 4.382 -3.794 8.325 1.00 0.26 C ATOM 1379 C VAL A 92 4.630 -4.746 9.486 1.00 0.24 C ATOM 1380 O VAL A 92 5.718 -4.798 10.063 1.00 0.28 O ATOM 1381 CB VAL A 92 5.116 -4.279 7.062 1.00 0.32 C ATOM 1382 CG1 VAL A 92 5.042 -5.793 6.928 1.00 0.96 C ATOM 1383 CG2 VAL A 92 4.517 -3.616 5.836 1.00 1.03 C ATOM 0 H VAL A 92 5.676 -2.150 8.278 1.00 0.26 H new ATOM 0 HA VAL A 92 3.312 -3.785 8.116 1.00 0.26 H new ATOM 0 HB VAL A 92 6.167 -4.002 7.148 1.00 0.32 H new ATOM 0 HG11 VAL A 92 5.569 -6.105 6.026 1.00 0.96 H new ATOM 0 HG12 VAL A 92 5.505 -6.258 7.798 1.00 0.96 H new ATOM 0 HG13 VAL A 92 3.999 -6.102 6.863 1.00 0.96 H new ATOM 0 HG21 VAL A 92 5.039 -3.962 4.944 1.00 1.03 H new ATOM 0 HG22 VAL A 92 3.461 -3.875 5.762 1.00 1.03 H new ATOM 0 HG23 VAL A 92 4.620 -2.534 5.920 1.00 1.03 H new ATOM 1393 N MET A 93 3.593 -5.487 9.808 1.00 0.22 N ATOM 1394 CA MET A 93 3.580 -6.402 10.936 1.00 0.22 C ATOM 1395 C MET A 93 3.052 -7.764 10.457 1.00 0.22 C ATOM 1396 O MET A 93 2.737 -7.907 9.275 1.00 0.23 O ATOM 1397 CB MET A 93 2.689 -5.801 12.029 1.00 0.21 C ATOM 1398 CG MET A 93 3.157 -4.436 12.510 1.00 0.23 C ATOM 1399 SD MET A 93 4.551 -4.539 13.646 1.00 0.28 S ATOM 1400 CE MET A 93 3.721 -5.196 15.085 1.00 0.27 C ATOM 0 H MET A 93 2.717 -5.473 9.286 1.00 0.22 H new ATOM 0 HA MET A 93 4.579 -6.550 11.345 1.00 0.22 H new ATOM 0 HB2 MET A 93 1.671 -5.714 11.650 1.00 0.21 H new ATOM 0 HB3 MET A 93 2.656 -6.485 12.877 1.00 0.21 H new ATOM 0 HG2 MET A 93 3.439 -3.829 11.650 1.00 0.23 H new ATOM 0 HG3 MET A 93 2.329 -3.926 13.002 1.00 0.23 H new ATOM 0 HE1 MET A 93 4.294 -4.951 15.979 1.00 0.27 H new ATOM 0 HE2 MET A 93 2.725 -4.759 15.162 1.00 0.27 H new ATOM 0 HE3 MET A 93 3.636 -6.279 14.993 1.00 0.27 H new ATOM 1410 N PRO A 94 2.953 -8.780 11.340 1.00 0.25 N ATOM 1411 CA PRO A 94 2.506 -10.131 10.969 1.00 0.30 C ATOM 1412 C PRO A 94 1.268 -10.167 10.066 1.00 0.28 C ATOM 1413 O PRO A 94 1.361 -10.571 8.903 1.00 0.31 O ATOM 1414 CB PRO A 94 2.202 -10.803 12.318 1.00 0.37 C ATOM 1415 CG PRO A 94 2.386 -9.746 13.361 1.00 0.58 C ATOM 1416 CD PRO A 94 3.298 -8.723 12.765 1.00 0.30 C ATOM 0 HA PRO A 94 3.273 -10.632 10.378 1.00 0.30 H new ATOM 0 HB2 PRO A 94 1.185 -11.196 12.337 1.00 0.37 H new ATOM 0 HB3 PRO A 94 2.872 -11.644 12.494 1.00 0.37 H new ATOM 0 HG2 PRO A 94 1.430 -9.301 13.637 1.00 0.58 H new ATOM 0 HG3 PRO A 94 2.815 -10.167 14.270 1.00 0.58 H new ATOM 0 HD2 PRO A 94 3.125 -7.732 13.185 1.00 0.30 H new ATOM 0 HD3 PRO A 94 4.347 -8.964 12.938 1.00 0.30 H new ATOM 1424 N GLN A 95 0.115 -9.731 10.576 1.00 0.29 N ATOM 1425 CA GLN A 95 -1.127 -9.857 9.820 1.00 0.32 C ATOM 1426 C GLN A 95 -1.169 -8.857 8.671 1.00 0.31 C ATOM 1427 O GLN A 95 -1.965 -8.985 7.741 1.00 0.37 O ATOM 1428 CB GLN A 95 -2.356 -9.696 10.720 1.00 0.37 C ATOM 1429 CG GLN A 95 -2.760 -8.260 11.011 1.00 0.45 C ATOM 1430 CD GLN A 95 -4.206 -8.153 11.469 1.00 0.50 C ATOM 1431 OE1 GLN A 95 -5.114 -8.030 10.648 1.00 0.75 O ATOM 1432 NE2 GLN A 95 -4.439 -8.174 12.776 1.00 0.34 N ATOM 0 H GLN A 95 0.017 -9.295 11.493 1.00 0.29 H new ATOM 0 HA GLN A 95 -1.152 -10.864 9.403 1.00 0.32 H new ATOM 0 HB2 GLN A 95 -3.198 -10.206 10.253 1.00 0.37 H new ATOM 0 HB3 GLN A 95 -2.162 -10.201 11.666 1.00 0.37 H new ATOM 0 HG2 GLN A 95 -2.106 -7.849 11.780 1.00 0.45 H new ATOM 0 HG3 GLN A 95 -2.619 -7.656 10.115 1.00 0.45 H new ATOM 0 HE21 GLN A 95 -3.664 -8.277 13.431 1.00 0.34 H new ATOM 0 HE22 GLN A 95 -5.393 -8.087 13.125 1.00 0.34 H new ATOM 1441 N THR A 96 -0.286 -7.878 8.736 1.00 0.26 N ATOM 1442 CA THR A 96 -0.158 -6.889 7.683 1.00 0.25 C ATOM 1443 C THR A 96 0.340 -7.569 6.426 1.00 0.25 C ATOM 1444 O THR A 96 -0.162 -7.329 5.328 1.00 0.31 O ATOM 1445 CB THR A 96 0.830 -5.795 8.079 1.00 0.25 C ATOM 1446 OG1 THR A 96 0.896 -5.722 9.499 1.00 0.24 O ATOM 1447 CG2 THR A 96 0.398 -4.451 7.531 1.00 0.28 C ATOM 0 H THR A 96 0.359 -7.746 9.515 1.00 0.26 H new ATOM 0 HA THR A 96 -1.134 -6.434 7.513 1.00 0.25 H new ATOM 0 HB THR A 96 1.808 -6.040 7.664 1.00 0.25 H new ATOM 0 HG1 THR A 96 1.167 -4.820 9.768 1.00 0.24 H new ATOM 0 HG21 THR A 96 1.119 -3.689 7.827 1.00 0.28 H new ATOM 0 HG22 THR A 96 0.348 -4.500 6.443 1.00 0.28 H new ATOM 0 HG23 THR A 96 -0.585 -4.195 7.928 1.00 0.28 H new ATOM 1455 N VAL A 97 1.328 -8.436 6.605 1.00 0.25 N ATOM 1456 CA VAL A 97 1.871 -9.199 5.514 1.00 0.31 C ATOM 1457 C VAL A 97 0.854 -10.172 4.965 1.00 0.23 C ATOM 1458 O VAL A 97 0.742 -10.346 3.764 1.00 0.24 O ATOM 1459 CB VAL A 97 3.086 -10.021 5.916 1.00 0.48 C ATOM 1460 CG1 VAL A 97 3.664 -10.655 4.684 1.00 1.02 C ATOM 1461 CG2 VAL A 97 4.114 -9.176 6.617 1.00 1.38 C ATOM 0 H VAL A 97 1.766 -8.622 7.507 1.00 0.25 H new ATOM 0 HA VAL A 97 2.156 -8.458 4.767 1.00 0.31 H new ATOM 0 HB VAL A 97 2.779 -10.795 6.620 1.00 0.48 H new ATOM 0 HG11 VAL A 97 4.537 -11.249 4.956 1.00 1.02 H new ATOM 0 HG12 VAL A 97 2.916 -11.300 4.222 1.00 1.02 H new ATOM 0 HG13 VAL A 97 3.959 -9.878 3.979 1.00 1.02 H new ATOM 0 HG21 VAL A 97 4.969 -9.795 6.890 1.00 1.38 H new ATOM 0 HG22 VAL A 97 4.442 -8.377 5.953 1.00 1.38 H new ATOM 0 HG23 VAL A 97 3.677 -8.743 7.517 1.00 1.38 H new ATOM 1471 N GLU A 98 0.134 -10.827 5.855 1.00 0.24 N ATOM 1472 CA GLU A 98 -0.867 -11.804 5.446 1.00 0.29 C ATOM 1473 C GLU A 98 -1.931 -11.134 4.581 1.00 0.31 C ATOM 1474 O GLU A 98 -2.510 -11.759 3.695 1.00 0.37 O ATOM 1475 CB GLU A 98 -1.487 -12.466 6.676 1.00 0.39 C ATOM 1476 CG GLU A 98 -0.443 -13.077 7.596 1.00 0.92 C ATOM 1477 CD GLU A 98 -1.044 -13.833 8.761 1.00 1.64 C ATOM 1478 OE1 GLU A 98 -1.483 -13.175 9.731 1.00 2.35 O ATOM 1479 OE2 GLU A 98 -1.101 -15.074 8.705 1.00 1.97 O ATOM 0 H GLU A 98 0.220 -10.704 6.864 1.00 0.24 H new ATOM 0 HA GLU A 98 -0.389 -12.581 4.850 1.00 0.29 H new ATOM 0 HB2 GLU A 98 -2.066 -11.727 7.229 1.00 0.39 H new ATOM 0 HB3 GLU A 98 -2.183 -13.241 6.355 1.00 0.39 H new ATOM 0 HG2 GLU A 98 0.189 -13.753 7.020 1.00 0.92 H new ATOM 0 HG3 GLU A 98 0.202 -12.286 7.979 1.00 0.92 H new ATOM 1486 N ALA A 99 -2.145 -9.845 4.826 1.00 0.31 N ATOM 1487 CA ALA A 99 -3.022 -9.041 3.991 1.00 0.35 C ATOM 1488 C ALA A 99 -2.367 -8.762 2.638 1.00 0.34 C ATOM 1489 O ALA A 99 -3.049 -8.669 1.617 1.00 0.44 O ATOM 1490 CB ALA A 99 -3.369 -7.738 4.695 1.00 0.39 C ATOM 0 H ALA A 99 -1.719 -9.336 5.601 1.00 0.31 H new ATOM 0 HA ALA A 99 -3.943 -9.598 3.817 1.00 0.35 H new ATOM 0 HB1 ALA A 99 -4.026 -7.145 4.059 1.00 0.39 H new ATOM 0 HB2 ALA A 99 -3.874 -7.956 5.636 1.00 0.39 H new ATOM 0 HB3 ALA A 99 -2.455 -7.178 4.895 1.00 0.39 H new ATOM 1496 N ILE A 100 -1.040 -8.656 2.633 1.00 0.28 N ATOM 1497 CA ILE A 100 -0.295 -8.416 1.415 1.00 0.29 C ATOM 1498 C ILE A 100 -0.239 -9.695 0.607 1.00 0.29 C ATOM 1499 O ILE A 100 -0.457 -9.707 -0.600 1.00 0.34 O ATOM 1500 CB ILE A 100 1.144 -7.976 1.736 1.00 0.32 C ATOM 1501 CG1 ILE A 100 1.147 -6.627 2.459 1.00 0.35 C ATOM 1502 CG2 ILE A 100 1.968 -7.920 0.464 1.00 0.36 C ATOM 1503 CD1 ILE A 100 2.495 -6.252 3.032 1.00 0.41 C ATOM 0 H ILE A 100 -0.462 -8.734 3.469 1.00 0.28 H new ATOM 0 HA ILE A 100 -0.794 -7.627 0.853 1.00 0.29 H new ATOM 0 HB ILE A 100 1.596 -8.710 2.403 1.00 0.32 H new ATOM 0 HG12 ILE A 100 0.828 -5.851 1.764 1.00 0.35 H new ATOM 0 HG13 ILE A 100 0.413 -6.654 3.265 1.00 0.35 H new ATOM 0 HG21 ILE A 100 2.985 -7.608 0.703 1.00 0.36 H new ATOM 0 HG22 ILE A 100 1.991 -8.907 0.001 1.00 0.36 H new ATOM 0 HG23 ILE A 100 1.522 -7.205 -0.228 1.00 0.36 H new ATOM 0 HD11 ILE A 100 2.423 -5.285 3.530 1.00 0.41 H new ATOM 0 HD12 ILE A 100 2.807 -7.008 3.752 1.00 0.41 H new ATOM 0 HD13 ILE A 100 3.228 -6.192 2.228 1.00 0.41 H new ATOM 1515 N ASN A 101 0.045 -10.764 1.316 1.00 0.29 N ATOM 1516 CA ASN A 101 0.130 -12.093 0.756 1.00 0.34 C ATOM 1517 C ASN A 101 -1.171 -12.476 0.063 1.00 0.36 C ATOM 1518 O ASN A 101 -1.151 -13.107 -0.987 1.00 0.43 O ATOM 1519 CB ASN A 101 0.479 -13.074 1.882 1.00 0.44 C ATOM 1520 CG ASN A 101 1.964 -13.144 2.142 1.00 0.53 C ATOM 1521 OD1 ASN A 101 2.770 -13.115 1.211 1.00 0.67 O ATOM 1522 ND2 ASN A 101 2.343 -13.191 3.405 1.00 0.64 N ATOM 0 H ASN A 101 0.227 -10.733 2.319 1.00 0.29 H new ATOM 0 HA ASN A 101 0.911 -12.126 -0.004 1.00 0.34 H new ATOM 0 HB2 ASN A 101 -0.034 -12.772 2.795 1.00 0.44 H new ATOM 0 HB3 ASN A 101 0.111 -14.067 1.623 1.00 0.44 H new ATOM 0 HD21 ASN A 101 3.336 -13.204 3.639 1.00 0.64 H new ATOM 0 HD22 ASN A 101 1.643 -13.214 4.147 1.00 0.64 H new ATOM 1529 N HIS A 102 -2.293 -12.066 0.635 1.00 0.35 N ATOM 1530 CA HIS A 102 -3.591 -12.304 0.027 1.00 0.43 C ATOM 1531 C HIS A 102 -3.757 -11.412 -1.208 1.00 0.37 C ATOM 1532 O HIS A 102 -4.306 -11.831 -2.233 1.00 0.41 O ATOM 1533 CB HIS A 102 -4.698 -12.027 1.051 1.00 0.61 C ATOM 1534 CG HIS A 102 -6.054 -12.515 0.638 1.00 1.18 C ATOM 1535 ND1 HIS A 102 -6.780 -13.435 1.360 1.00 2.07 N ATOM 1536 CD2 HIS A 102 -6.821 -12.182 -0.419 1.00 1.10 C ATOM 1537 CE1 HIS A 102 -7.939 -13.646 0.764 1.00 2.50 C ATOM 1538 NE2 HIS A 102 -7.991 -12.897 -0.321 1.00 1.91 N ATOM 0 H HIS A 102 -2.329 -11.565 1.523 1.00 0.35 H new ATOM 0 HA HIS A 102 -3.662 -13.345 -0.288 1.00 0.43 H new ATOM 0 HB2 HIS A 102 -4.428 -12.496 1.997 1.00 0.61 H new ATOM 0 HB3 HIS A 102 -4.750 -10.953 1.231 1.00 0.61 H new ATOM 0 HD1 HIS A 102 -6.470 -13.884 2.222 1.00 2.07 H new ATOM 0 HD2 HIS A 102 -6.564 -11.482 -1.200 1.00 1.10 H new ATOM 0 HE1 HIS A 102 -8.713 -14.317 1.106 1.00 2.50 H new ATOM 1547 N ALA A 103 -3.255 -10.190 -1.108 1.00 0.37 N ATOM 1548 CA ALA A 103 -3.380 -9.213 -2.181 1.00 0.41 C ATOM 1549 C ALA A 103 -2.515 -9.579 -3.386 1.00 0.40 C ATOM 1550 O ALA A 103 -2.974 -9.495 -4.521 1.00 0.44 O ATOM 1551 CB ALA A 103 -3.024 -7.825 -1.680 1.00 0.47 C ATOM 0 H ALA A 103 -2.753 -9.849 -0.288 1.00 0.37 H new ATOM 0 HA ALA A 103 -4.420 -9.218 -2.507 1.00 0.41 H new ATOM 0 HB1 ALA A 103 -3.123 -7.108 -2.495 1.00 0.47 H new ATOM 0 HB2 ALA A 103 -3.697 -7.547 -0.869 1.00 0.47 H new ATOM 0 HB3 ALA A 103 -1.996 -7.822 -1.317 1.00 0.47 H new ATOM 1557 N LYS A 104 -1.272 -9.986 -3.138 1.00 0.41 N ATOM 1558 CA LYS A 104 -0.349 -10.336 -4.216 1.00 0.49 C ATOM 1559 C LYS A 104 -0.686 -11.692 -4.779 1.00 0.54 C ATOM 1560 O LYS A 104 -0.414 -11.981 -5.943 1.00 0.66 O ATOM 1561 CB LYS A 104 1.078 -10.351 -3.703 1.00 0.61 C ATOM 1562 CG LYS A 104 1.458 -9.080 -2.992 1.00 0.70 C ATOM 1563 CD LYS A 104 1.437 -7.871 -3.922 1.00 0.84 C ATOM 1564 CE LYS A 104 2.613 -7.852 -4.898 1.00 0.99 C ATOM 1565 NZ LYS A 104 2.469 -8.840 -6.006 1.00 1.66 N ATOM 0 H LYS A 104 -0.881 -10.082 -2.201 1.00 0.41 H new ATOM 0 HA LYS A 104 -0.445 -9.586 -5.001 1.00 0.49 H new ATOM 0 HB2 LYS A 104 1.206 -11.194 -3.023 1.00 0.61 H new ATOM 0 HB3 LYS A 104 1.758 -10.511 -4.540 1.00 0.61 H new ATOM 0 HG2 LYS A 104 0.771 -8.910 -2.163 1.00 0.70 H new ATOM 0 HG3 LYS A 104 2.454 -9.189 -2.563 1.00 0.70 H new ATOM 0 HD2 LYS A 104 0.504 -7.868 -4.485 1.00 0.84 H new ATOM 0 HD3 LYS A 104 1.452 -6.959 -3.325 1.00 0.84 H new ATOM 0 HE2 LYS A 104 2.710 -6.852 -5.321 1.00 0.99 H new ATOM 0 HE3 LYS A 104 3.534 -8.058 -4.352 1.00 0.99 H new ATOM 0 HZ1 LYS A 104 2.936 -8.474 -6.860 1.00 1.66 H new ATOM 0 HZ2 LYS A 104 2.911 -9.740 -5.729 1.00 1.66 H new ATOM 0 HZ3 LYS A 104 1.460 -8.996 -6.203 1.00 1.66 H new ATOM 1579 N ALA A 105 -1.250 -12.529 -3.928 1.00 0.51 N ATOM 1580 CA ALA A 105 -1.759 -13.832 -4.360 1.00 0.61 C ATOM 1581 C ALA A 105 -2.677 -13.667 -5.565 1.00 0.62 C ATOM 1582 O ALA A 105 -2.594 -14.419 -6.537 1.00 0.77 O ATOM 1583 CB ALA A 105 -2.498 -14.533 -3.233 1.00 0.65 C ATOM 0 H ALA A 105 -1.370 -12.337 -2.934 1.00 0.51 H new ATOM 0 HA ALA A 105 -0.906 -14.449 -4.643 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -2.865 -15.498 -3.583 1.00 0.65 H new ATOM 0 HB2 ALA A 105 -1.820 -14.685 -2.393 1.00 0.65 H new ATOM 0 HB3 ALA A 105 -3.340 -13.919 -2.913 1.00 0.65 H new ATOM 1589 N ALA A 106 -3.556 -12.679 -5.494 1.00 0.54 N ATOM 1590 CA ALA A 106 -4.396 -12.331 -6.632 1.00 0.64 C ATOM 1591 C ALA A 106 -3.658 -11.375 -7.567 1.00 0.64 C ATOM 1592 O ALA A 106 -3.840 -11.412 -8.784 1.00 0.74 O ATOM 1593 CB ALA A 106 -5.703 -11.716 -6.157 1.00 0.68 C ATOM 0 H ALA A 106 -3.707 -12.105 -4.664 1.00 0.54 H new ATOM 0 HA ALA A 106 -4.626 -13.241 -7.186 1.00 0.64 H new ATOM 0 HB1 ALA A 106 -6.320 -11.461 -7.019 1.00 0.68 H new ATOM 0 HB2 ALA A 106 -6.235 -12.431 -5.529 1.00 0.68 H new ATOM 0 HB3 ALA A 106 -5.493 -10.814 -5.582 1.00 0.68 H new ATOM 1599 N ASN A 107 -2.852 -10.505 -6.949 1.00 0.59 N ATOM 1600 CA ASN A 107 -1.942 -9.579 -7.628 1.00 0.65 C ATOM 1601 C ASN A 107 -2.702 -8.338 -8.035 1.00 0.60 C ATOM 1602 O ASN A 107 -2.522 -7.782 -9.118 1.00 0.85 O ATOM 1603 CB ASN A 107 -1.224 -10.209 -8.814 1.00 0.85 C ATOM 1604 CG ASN A 107 0.069 -9.497 -9.137 1.00 1.04 C ATOM 1605 OD1 ASN A 107 0.694 -8.887 -8.263 1.00 1.17 O ATOM 1606 ND2 ASN A 107 0.492 -9.598 -10.377 1.00 1.41 N ATOM 0 H ASN A 107 -2.814 -10.424 -5.933 1.00 0.59 H new ATOM 0 HA ASN A 107 -1.156 -9.309 -6.923 1.00 0.65 H new ATOM 0 HB2 ASN A 107 -1.016 -11.257 -8.597 1.00 0.85 H new ATOM 0 HB3 ASN A 107 -1.877 -10.188 -9.686 1.00 0.85 H new ATOM 0 HD21 ASN A 107 1.372 -9.162 -10.653 1.00 1.41 H new ATOM 0 HD22 ASN A 107 -0.059 -10.113 -11.064 1.00 1.41 H new ATOM 1613 N VAL A 108 -3.552 -7.924 -7.118 1.00 0.44 N ATOM 1614 CA VAL A 108 -4.423 -6.788 -7.296 1.00 0.42 C ATOM 1615 C VAL A 108 -3.699 -5.487 -6.964 1.00 0.37 C ATOM 1616 O VAL A 108 -2.854 -5.458 -6.065 1.00 0.38 O ATOM 1617 CB VAL A 108 -5.638 -6.952 -6.366 1.00 0.49 C ATOM 1618 CG1 VAL A 108 -6.373 -5.647 -6.207 1.00 1.06 C ATOM 1619 CG2 VAL A 108 -6.566 -8.029 -6.895 1.00 1.35 C ATOM 0 H VAL A 108 -3.656 -8.379 -6.211 1.00 0.44 H new ATOM 0 HA VAL A 108 -4.741 -6.743 -8.338 1.00 0.42 H new ATOM 0 HB VAL A 108 -5.278 -7.257 -5.383 1.00 0.49 H new ATOM 0 HG11 VAL A 108 -7.227 -5.789 -5.545 1.00 1.06 H new ATOM 0 HG12 VAL A 108 -5.703 -4.902 -5.779 1.00 1.06 H new ATOM 0 HG13 VAL A 108 -6.722 -5.305 -7.181 1.00 1.06 H new ATOM 0 HG21 VAL A 108 -7.421 -8.133 -6.227 1.00 1.35 H new ATOM 0 HG22 VAL A 108 -6.915 -7.752 -7.890 1.00 1.35 H new ATOM 0 HG23 VAL A 108 -6.030 -8.977 -6.949 1.00 1.35 H new ATOM 1629 N PRO A 109 -4.018 -4.399 -7.689 1.00 0.35 N ATOM 1630 CA PRO A 109 -3.517 -3.071 -7.360 1.00 0.33 C ATOM 1631 C PRO A 109 -3.990 -2.623 -5.984 1.00 0.28 C ATOM 1632 O PRO A 109 -5.153 -2.829 -5.603 1.00 0.29 O ATOM 1633 CB PRO A 109 -4.088 -2.159 -8.443 1.00 0.37 C ATOM 1634 CG PRO A 109 -4.551 -3.068 -9.534 1.00 0.47 C ATOM 1635 CD PRO A 109 -4.874 -4.385 -8.886 1.00 0.40 C ATOM 0 HA PRO A 109 -2.428 -3.050 -7.327 1.00 0.33 H new ATOM 0 HB2 PRO A 109 -4.912 -1.560 -8.056 1.00 0.37 H new ATOM 0 HB3 PRO A 109 -3.332 -1.463 -8.807 1.00 0.37 H new ATOM 0 HG2 PRO A 109 -5.428 -2.657 -10.035 1.00 0.47 H new ATOM 0 HG3 PRO A 109 -3.778 -3.189 -10.293 1.00 0.47 H new ATOM 0 HD2 PRO A 109 -5.930 -4.455 -8.625 1.00 0.40 H new ATOM 0 HD3 PRO A 109 -4.653 -5.223 -9.547 1.00 0.40 H new ATOM 1643 N ILE A 110 -3.098 -2.005 -5.238 1.00 0.25 N ATOM 1644 CA ILE A 110 -3.390 -1.692 -3.858 1.00 0.21 C ATOM 1645 C ILE A 110 -3.627 -0.199 -3.642 1.00 0.19 C ATOM 1646 O ILE A 110 -3.221 0.649 -4.439 1.00 0.23 O ATOM 1647 CB ILE A 110 -2.247 -2.194 -2.935 1.00 0.23 C ATOM 1648 CG1 ILE A 110 -2.168 -3.724 -2.984 1.00 0.38 C ATOM 1649 CG2 ILE A 110 -2.405 -1.708 -1.500 1.00 0.21 C ATOM 1650 CD1 ILE A 110 -1.961 -4.362 -1.629 1.00 0.60 C ATOM 0 H ILE A 110 -2.175 -1.713 -5.561 1.00 0.25 H new ATOM 0 HA ILE A 110 -4.314 -2.209 -3.599 1.00 0.21 H new ATOM 0 HB ILE A 110 -1.314 -1.773 -3.309 1.00 0.23 H new ATOM 0 HG12 ILE A 110 -3.086 -4.113 -3.423 1.00 0.38 H new ATOM 0 HG13 ILE A 110 -1.351 -4.017 -3.643 1.00 0.38 H new ATOM 0 HG21 ILE A 110 -1.581 -2.086 -0.895 1.00 0.21 H new ATOM 0 HG22 ILE A 110 -2.398 -0.618 -1.482 1.00 0.21 H new ATOM 0 HG23 ILE A 110 -3.349 -2.072 -1.095 1.00 0.21 H new ATOM 0 HD11 ILE A 110 -1.915 -5.445 -1.740 1.00 0.60 H new ATOM 0 HD12 ILE A 110 -1.028 -4.002 -1.196 1.00 0.60 H new ATOM 0 HD13 ILE A 110 -2.791 -4.100 -0.973 1.00 0.60 H new ATOM 1662 N ILE A 111 -4.302 0.072 -2.549 1.00 0.18 N ATOM 1663 CA ILE A 111 -4.519 1.407 -2.032 1.00 0.18 C ATOM 1664 C ILE A 111 -4.042 1.404 -0.592 1.00 0.16 C ATOM 1665 O ILE A 111 -4.785 1.083 0.334 1.00 0.18 O ATOM 1666 CB ILE A 111 -6.007 1.850 -2.114 1.00 0.25 C ATOM 1667 CG1 ILE A 111 -6.360 2.270 -3.538 1.00 0.32 C ATOM 1668 CG2 ILE A 111 -6.298 3.003 -1.153 1.00 0.27 C ATOM 1669 CD1 ILE A 111 -5.831 3.640 -3.894 1.00 0.37 C ATOM 0 H ILE A 111 -4.730 -0.654 -1.975 1.00 0.18 H new ATOM 0 HA ILE A 111 -3.966 2.125 -2.638 1.00 0.18 H new ATOM 0 HB ILE A 111 -6.621 0.997 -1.825 1.00 0.25 H new ATOM 0 HG12 ILE A 111 -5.958 1.537 -4.238 1.00 0.32 H new ATOM 0 HG13 ILE A 111 -7.444 2.262 -3.656 1.00 0.32 H new ATOM 0 HG21 ILE A 111 -7.347 3.289 -1.235 1.00 0.27 H new ATOM 0 HG22 ILE A 111 -6.087 2.687 -0.131 1.00 0.27 H new ATOM 0 HG23 ILE A 111 -5.668 3.856 -1.407 1.00 0.27 H new ATOM 0 HD11 ILE A 111 -6.113 3.884 -4.918 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -6.253 4.381 -3.215 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -4.745 3.645 -3.806 1.00 0.37 H new ATOM 1681 N VAL A 112 -2.770 1.658 -0.417 1.00 0.16 N ATOM 1682 CA VAL A 112 -2.200 1.691 0.898 1.00 0.18 C ATOM 1683 C VAL A 112 -2.538 2.990 1.571 1.00 0.20 C ATOM 1684 O VAL A 112 -2.669 4.029 0.933 1.00 0.22 O ATOM 1685 CB VAL A 112 -0.680 1.539 0.869 1.00 0.19 C ATOM 1686 CG1 VAL A 112 -0.122 1.540 2.258 1.00 0.26 C ATOM 1687 CG2 VAL A 112 -0.280 0.274 0.167 1.00 0.19 C ATOM 0 H VAL A 112 -2.111 1.845 -1.173 1.00 0.16 H new ATOM 0 HA VAL A 112 -2.621 0.851 1.450 1.00 0.18 H new ATOM 0 HB VAL A 112 -0.273 2.389 0.321 1.00 0.19 H new ATOM 0 HG11 VAL A 112 0.962 1.431 2.215 1.00 0.26 H new ATOM 0 HG12 VAL A 112 -0.373 2.480 2.750 1.00 0.26 H new ATOM 0 HG13 VAL A 112 -0.548 0.710 2.822 1.00 0.26 H new ATOM 0 HG21 VAL A 112 0.807 0.190 0.160 1.00 0.19 H new ATOM 0 HG22 VAL A 112 -0.707 -0.582 0.689 1.00 0.19 H new ATOM 0 HG23 VAL A 112 -0.649 0.295 -0.858 1.00 0.19 H new ATOM 1697 N ALA A 113 -2.664 2.913 2.859 1.00 0.21 N ATOM 1698 CA ALA A 113 -2.923 4.079 3.662 1.00 0.24 C ATOM 1699 C ALA A 113 -2.131 4.028 4.948 1.00 0.25 C ATOM 1700 O ALA A 113 -2.372 3.196 5.825 1.00 0.28 O ATOM 1701 CB ALA A 113 -4.407 4.232 3.914 1.00 0.29 C ATOM 0 H ALA A 113 -2.591 2.044 3.388 1.00 0.21 H new ATOM 0 HA ALA A 113 -2.594 4.963 3.115 1.00 0.24 H new ATOM 0 HB1 ALA A 113 -4.583 5.119 4.523 1.00 0.29 H new ATOM 0 HB2 ALA A 113 -4.929 4.335 2.963 1.00 0.29 H new ATOM 0 HB3 ALA A 113 -4.780 3.352 4.438 1.00 0.29 H new ATOM 1707 N ILE A 114 -1.157 4.911 5.016 1.00 0.24 N ATOM 1708 CA ILE A 114 -0.302 5.052 6.166 1.00 0.27 C ATOM 1709 C ILE A 114 -0.964 5.959 7.185 1.00 0.30 C ATOM 1710 O ILE A 114 -1.036 7.160 6.972 1.00 0.50 O ATOM 1711 CB ILE A 114 1.064 5.639 5.748 1.00 0.33 C ATOM 1712 CG1 ILE A 114 1.874 4.607 4.982 1.00 0.38 C ATOM 1713 CG2 ILE A 114 1.840 6.117 6.949 1.00 0.44 C ATOM 1714 CD1 ILE A 114 1.481 4.467 3.529 1.00 0.59 C ATOM 0 H ILE A 114 -0.937 5.559 4.260 1.00 0.24 H new ATOM 0 HA ILE A 114 -0.139 4.070 6.609 1.00 0.27 H new ATOM 0 HB ILE A 114 0.876 6.494 5.099 1.00 0.33 H new ATOM 0 HG12 ILE A 114 2.929 4.875 5.037 1.00 0.38 H new ATOM 0 HG13 ILE A 114 1.765 3.639 5.471 1.00 0.38 H new ATOM 0 HG21 ILE A 114 2.797 6.525 6.625 1.00 0.44 H new ATOM 0 HG22 ILE A 114 1.272 6.891 7.465 1.00 0.44 H new ATOM 0 HG23 ILE A 114 2.013 5.281 7.627 1.00 0.44 H new ATOM 0 HD11 ILE A 114 2.106 3.711 3.054 1.00 0.59 H new ATOM 0 HD12 ILE A 114 0.435 4.167 3.462 1.00 0.59 H new ATOM 0 HD13 ILE A 114 1.618 5.422 3.022 1.00 0.59 H new ATOM 1726 N ASN A 115 -1.427 5.388 8.292 1.00 0.19 N ATOM 1727 CA ASN A 115 -2.249 6.120 9.254 1.00 0.22 C ATOM 1728 C ASN A 115 -1.363 6.549 10.369 1.00 0.20 C ATOM 1729 O ASN A 115 -0.164 6.259 10.345 1.00 0.22 O ATOM 1730 CB ASN A 115 -3.421 5.257 9.762 1.00 0.33 C ATOM 1731 CG ASN A 115 -3.107 4.420 10.986 1.00 0.84 C ATOM 1732 OD1 ASN A 115 -2.014 3.924 11.151 1.00 1.85 O ATOM 1733 ND2 ASN A 115 -4.075 4.270 11.865 1.00 0.56 N ATOM 0 H ASN A 115 -1.247 4.417 8.547 1.00 0.19 H new ATOM 0 HA ASN A 115 -2.698 6.992 8.778 1.00 0.22 H new ATOM 0 HB2 ASN A 115 -4.263 5.910 9.992 1.00 0.33 H new ATOM 0 HB3 ASN A 115 -3.742 4.595 8.958 1.00 0.33 H new ATOM 0 HD21 ASN A 115 -3.915 3.724 12.712 1.00 0.56 H new ATOM 0 HD22 ASN A 115 -4.985 4.699 11.699 1.00 0.56 H new ATOM 1740 N LYS A 116 -1.929 7.263 11.318 1.00 0.19 N ATOM 1741 CA LYS A 116 -1.173 7.696 12.452 1.00 0.20 C ATOM 1742 C LYS A 116 -0.185 8.770 12.041 1.00 0.21 C ATOM 1743 O LYS A 116 0.866 8.934 12.656 1.00 0.26 O ATOM 1744 CB LYS A 116 -0.456 6.499 13.081 1.00 0.25 C ATOM 1745 CG LYS A 116 -1.375 5.589 13.864 1.00 0.32 C ATOM 1746 CD LYS A 116 -0.583 4.640 14.739 1.00 0.40 C ATOM 1747 CE LYS A 116 -1.403 3.448 15.202 1.00 0.51 C ATOM 1748 NZ LYS A 116 -0.586 2.518 16.027 1.00 0.59 N ATOM 0 H LYS A 116 -2.908 7.551 11.319 1.00 0.19 H new ATOM 0 HA LYS A 116 -1.846 8.124 13.195 1.00 0.20 H new ATOM 0 HB2 LYS A 116 0.030 5.922 12.294 1.00 0.25 H new ATOM 0 HB3 LYS A 116 0.331 6.863 13.741 1.00 0.25 H new ATOM 0 HG2 LYS A 116 -2.044 6.187 14.483 1.00 0.32 H new ATOM 0 HG3 LYS A 116 -2.000 5.019 13.177 1.00 0.32 H new ATOM 0 HD2 LYS A 116 0.288 4.285 14.188 1.00 0.40 H new ATOM 0 HD3 LYS A 116 -0.211 5.180 15.610 1.00 0.40 H new ATOM 0 HE2 LYS A 116 -2.259 3.795 15.781 1.00 0.51 H new ATOM 0 HE3 LYS A 116 -1.799 2.917 14.336 1.00 0.51 H new ATOM 0 HZ1 LYS A 116 -1.047 1.586 16.059 1.00 0.59 H new ATOM 0 HZ2 LYS A 116 0.361 2.422 15.607 1.00 0.59 H new ATOM 0 HZ3 LYS A 116 -0.500 2.895 16.992 1.00 0.59 H new ATOM 1762 N MET A 117 -0.541 9.512 11.000 1.00 0.21 N ATOM 1763 CA MET A 117 0.271 10.630 10.562 1.00 0.28 C ATOM 1764 C MET A 117 -0.048 11.821 11.436 1.00 0.29 C ATOM 1765 O MET A 117 0.591 12.868 11.369 1.00 0.37 O ATOM 1766 CB MET A 117 0.011 10.910 9.089 1.00 0.38 C ATOM 1767 CG MET A 117 0.492 9.776 8.202 1.00 0.48 C ATOM 1768 SD MET A 117 2.279 9.730 8.048 1.00 0.77 S ATOM 1769 CE MET A 117 2.556 11.237 7.131 1.00 0.92 C ATOM 0 H MET A 117 -1.384 9.357 10.448 1.00 0.21 H new ATOM 0 HA MET A 117 1.333 10.404 10.661 1.00 0.28 H new ATOM 0 HB2 MET A 117 -1.056 11.065 8.932 1.00 0.38 H new ATOM 0 HB3 MET A 117 0.513 11.834 8.801 1.00 0.38 H new ATOM 0 HG2 MET A 117 0.142 8.828 8.609 1.00 0.48 H new ATOM 0 HG3 MET A 117 0.048 9.881 7.212 1.00 0.48 H new ATOM 0 HE1 MET A 117 3.008 10.999 6.168 1.00 0.92 H new ATOM 0 HE2 MET A 117 1.605 11.745 6.970 1.00 0.92 H new ATOM 0 HE3 MET A 117 3.224 11.888 7.695 1.00 0.92 H new ATOM 1779 N ASP A 118 -1.064 11.616 12.257 1.00 0.27 N ATOM 1780 CA ASP A 118 -1.394 12.516 13.346 1.00 0.34 C ATOM 1781 C ASP A 118 -0.308 12.451 14.410 1.00 0.33 C ATOM 1782 O ASP A 118 -0.050 13.428 15.114 1.00 0.47 O ATOM 1783 CB ASP A 118 -2.744 12.120 13.950 1.00 0.39 C ATOM 1784 CG ASP A 118 -2.873 10.619 14.139 1.00 0.55 C ATOM 1785 OD1 ASP A 118 -3.296 9.933 13.178 1.00 0.67 O ATOM 1786 OD2 ASP A 118 -2.547 10.116 15.236 1.00 0.76 O ATOM 0 H ASP A 118 -1.688 10.812 12.185 1.00 0.27 H new ATOM 0 HA ASP A 118 -1.460 13.536 12.966 1.00 0.34 H new ATOM 0 HB2 ASP A 118 -2.869 12.617 14.912 1.00 0.39 H new ATOM 0 HB3 ASP A 118 -3.547 12.473 13.302 1.00 0.39 H new ATOM 1791 N LYS A 119 0.317 11.283 14.528 1.00 0.23 N ATOM 1792 CA LYS A 119 1.447 11.097 15.415 1.00 0.26 C ATOM 1793 C LYS A 119 2.669 11.807 14.859 1.00 0.28 C ATOM 1794 O LYS A 119 2.988 11.669 13.682 1.00 0.26 O ATOM 1795 CB LYS A 119 1.760 9.603 15.569 1.00 0.29 C ATOM 1796 CG LYS A 119 0.700 8.822 16.319 1.00 0.36 C ATOM 1797 CD LYS A 119 1.100 7.366 16.504 1.00 0.72 C ATOM 1798 CE LYS A 119 2.462 7.225 17.177 1.00 0.87 C ATOM 1799 NZ LYS A 119 2.473 7.755 18.565 1.00 1.17 N ATOM 0 H LYS A 119 0.051 10.445 14.011 1.00 0.23 H new ATOM 0 HA LYS A 119 1.194 11.516 16.389 1.00 0.26 H new ATOM 0 HB2 LYS A 119 1.886 9.165 14.579 1.00 0.29 H new ATOM 0 HB3 LYS A 119 2.712 9.494 16.089 1.00 0.29 H new ATOM 0 HG2 LYS A 119 0.532 9.280 17.294 1.00 0.36 H new ATOM 0 HG3 LYS A 119 -0.243 8.874 15.775 1.00 0.36 H new ATOM 0 HD2 LYS A 119 0.346 6.857 17.104 1.00 0.72 H new ATOM 0 HD3 LYS A 119 1.123 6.871 15.533 1.00 0.72 H new ATOM 0 HE2 LYS A 119 2.748 6.173 17.192 1.00 0.87 H new ATOM 0 HE3 LYS A 119 3.211 7.751 16.586 1.00 0.87 H new ATOM 0 HZ1 LYS A 119 3.395 7.558 19.004 1.00 1.17 H new ATOM 0 HZ2 LYS A 119 2.311 8.782 18.546 1.00 1.17 H new ATOM 0 HZ3 LYS A 119 1.721 7.296 19.118 1.00 1.17 H new ATOM 1813 N PRO A 120 3.366 12.588 15.695 1.00 0.38 N ATOM 1814 CA PRO A 120 4.641 13.202 15.316 1.00 0.45 C ATOM 1815 C PRO A 120 5.713 12.144 15.053 1.00 0.40 C ATOM 1816 O PRO A 120 6.760 12.428 14.471 1.00 0.45 O ATOM 1817 CB PRO A 120 5.020 14.051 16.533 1.00 0.57 C ATOM 1818 CG PRO A 120 4.210 13.517 17.663 1.00 0.58 C ATOM 1819 CD PRO A 120 2.953 12.962 17.059 1.00 0.48 C ATOM 0 HA PRO A 120 4.559 13.782 14.397 1.00 0.45 H new ATOM 0 HB2 PRO A 120 6.086 13.977 16.746 1.00 0.57 H new ATOM 0 HB3 PRO A 120 4.803 15.105 16.359 1.00 0.57 H new ATOM 0 HG2 PRO A 120 4.757 12.743 18.201 1.00 0.58 H new ATOM 0 HG3 PRO A 120 3.981 14.303 18.382 1.00 0.58 H new ATOM 0 HD2 PRO A 120 2.585 12.101 17.618 1.00 0.48 H new ATOM 0 HD3 PRO A 120 2.152 13.701 17.048 1.00 0.48 H new ATOM 1827 N GLU A 121 5.432 10.927 15.499 1.00 0.35 N ATOM 1828 CA GLU A 121 6.331 9.794 15.308 1.00 0.37 C ATOM 1829 C GLU A 121 6.011 9.068 14.001 1.00 0.30 C ATOM 1830 O GLU A 121 6.567 8.007 13.718 1.00 0.37 O ATOM 1831 CB GLU A 121 6.196 8.830 16.485 1.00 0.48 C ATOM 1832 CG GLU A 121 6.198 9.530 17.832 1.00 0.62 C ATOM 1833 CD GLU A 121 6.095 8.566 18.993 1.00 1.04 C ATOM 1834 OE1 GLU A 121 5.103 7.810 19.054 1.00 1.45 O ATOM 1835 OE2 GLU A 121 7.012 8.550 19.843 1.00 1.40 O ATOM 0 H GLU A 121 4.576 10.696 16.003 1.00 0.35 H new ATOM 0 HA GLU A 121 7.355 10.163 15.256 1.00 0.37 H new ATOM 0 HB2 GLU A 121 5.271 8.263 16.378 1.00 0.48 H new ATOM 0 HB3 GLU A 121 7.015 8.112 16.454 1.00 0.48 H new ATOM 0 HG2 GLU A 121 7.112 10.115 17.931 1.00 0.62 H new ATOM 0 HG3 GLU A 121 5.365 10.232 17.873 1.00 0.62 H new ATOM 1842 N ALA A 122 5.088 9.641 13.233 1.00 0.24 N ATOM 1843 CA ALA A 122 4.723 9.118 11.919 1.00 0.22 C ATOM 1844 C ALA A 122 5.942 8.975 11.025 1.00 0.21 C ATOM 1845 O ALA A 122 6.677 9.938 10.797 1.00 0.26 O ATOM 1846 CB ALA A 122 3.711 10.033 11.254 1.00 0.27 C ATOM 0 H ALA A 122 4.573 10.479 13.503 1.00 0.24 H new ATOM 0 HA ALA A 122 4.284 8.131 12.064 1.00 0.22 H new ATOM 0 HB1 ALA A 122 3.447 9.633 10.275 1.00 0.27 H new ATOM 0 HB2 ALA A 122 2.816 10.097 11.873 1.00 0.27 H new ATOM 0 HB3 ALA A 122 4.142 11.027 11.135 1.00 0.27 H new ATOM 1852 N ASN A 123 6.149 7.775 10.518 1.00 0.21 N ATOM 1853 CA ASN A 123 7.199 7.538 9.547 1.00 0.23 C ATOM 1854 C ASN A 123 6.581 6.897 8.325 1.00 0.23 C ATOM 1855 O ASN A 123 6.723 5.697 8.088 1.00 0.25 O ATOM 1856 CB ASN A 123 8.284 6.628 10.119 1.00 0.26 C ATOM 1857 CG ASN A 123 9.662 7.102 9.821 1.00 0.42 C ATOM 1858 OD1 ASN A 123 9.812 7.758 8.710 1.00 0.95 O flip ATOM 1859 ND2 ASN A 123 10.595 6.870 10.592 1.00 0.52 N flip ATOM 0 H ASN A 123 5.603 6.949 10.763 1.00 0.21 H new ATOM 0 HA ASN A 123 7.667 8.487 9.285 1.00 0.23 H new ATOM 0 HB2 ASN A 123 8.157 6.556 11.199 1.00 0.26 H new ATOM 0 HB3 ASN A 123 8.157 5.623 9.716 1.00 0.26 H new ATOM 0 HD21 ASN A 123 10.427 6.350 11.454 1.00 0.52 H new ATOM 0 HD22 ASN A 123 11.535 7.198 10.369 1.00 0.52 H new ATOM 1866 N PRO A 124 5.898 7.707 7.521 1.00 0.25 N ATOM 1867 CA PRO A 124 5.084 7.224 6.410 1.00 0.32 C ATOM 1868 C PRO A 124 5.887 6.540 5.337 1.00 0.33 C ATOM 1869 O PRO A 124 5.703 5.363 5.067 1.00 0.35 O ATOM 1870 CB PRO A 124 4.463 8.493 5.861 1.00 0.40 C ATOM 1871 CG PRO A 124 5.376 9.584 6.279 1.00 0.32 C ATOM 1872 CD PRO A 124 5.847 9.178 7.637 1.00 0.27 C ATOM 0 HA PRO A 124 4.367 6.473 6.741 1.00 0.32 H new ATOM 0 HB2 PRO A 124 4.372 8.449 4.776 1.00 0.40 H new ATOM 0 HB3 PRO A 124 3.460 8.645 6.259 1.00 0.40 H new ATOM 0 HG2 PRO A 124 6.210 9.691 5.585 1.00 0.32 H new ATOM 0 HG3 PRO A 124 4.860 10.544 6.308 1.00 0.32 H new ATOM 0 HD2 PRO A 124 6.823 9.602 7.873 1.00 0.27 H new ATOM 0 HD3 PRO A 124 5.161 9.501 8.420 1.00 0.27 H new ATOM 1880 N ASP A 125 6.779 7.296 4.736 1.00 0.37 N ATOM 1881 CA ASP A 125 7.617 6.798 3.658 1.00 0.44 C ATOM 1882 C ASP A 125 8.496 5.654 4.135 1.00 0.34 C ATOM 1883 O ASP A 125 9.034 4.899 3.329 1.00 0.33 O ATOM 1884 CB ASP A 125 8.481 7.924 3.113 1.00 0.61 C ATOM 1885 CG ASP A 125 7.650 9.105 2.649 1.00 0.99 C ATOM 1886 OD1 ASP A 125 7.319 9.979 3.478 1.00 1.44 O ATOM 1887 OD2 ASP A 125 7.341 9.175 1.440 1.00 1.13 O ATOM 0 H ASP A 125 6.947 8.273 4.977 1.00 0.37 H new ATOM 0 HA ASP A 125 6.969 6.423 2.866 1.00 0.44 H new ATOM 0 HB2 ASP A 125 9.178 8.252 3.884 1.00 0.61 H new ATOM 0 HB3 ASP A 125 9.079 7.552 2.281 1.00 0.61 H new ATOM 1892 N ARG A 126 8.623 5.513 5.448 1.00 0.31 N ATOM 1893 CA ARG A 126 9.393 4.413 6.009 1.00 0.31 C ATOM 1894 C ARG A 126 8.592 3.132 5.896 1.00 0.27 C ATOM 1895 O ARG A 126 9.015 2.161 5.273 1.00 0.30 O ATOM 1896 CB ARG A 126 9.741 4.687 7.470 1.00 0.35 C ATOM 1897 CG ARG A 126 10.236 3.465 8.237 1.00 0.51 C ATOM 1898 CD ARG A 126 11.467 2.840 7.599 1.00 1.24 C ATOM 1899 NE ARG A 126 11.758 1.525 8.170 1.00 1.92 N ATOM 1900 CZ ARG A 126 12.684 0.687 7.699 1.00 2.94 C ATOM 1901 NH1 ARG A 126 13.448 1.038 6.671 1.00 3.49 N ATOM 1902 NH2 ARG A 126 12.849 -0.500 8.269 1.00 3.79 N ATOM 0 H ARG A 126 8.207 6.140 6.137 1.00 0.31 H new ATOM 0 HA ARG A 126 10.324 4.312 5.451 1.00 0.31 H new ATOM 0 HB2 ARG A 126 10.507 5.461 7.510 1.00 0.35 H new ATOM 0 HB3 ARG A 126 8.859 5.085 7.973 1.00 0.35 H new ATOM 0 HG2 ARG A 126 10.468 3.752 9.263 1.00 0.51 H new ATOM 0 HG3 ARG A 126 9.439 2.723 8.286 1.00 0.51 H new ATOM 0 HD2 ARG A 126 11.312 2.745 6.524 1.00 1.24 H new ATOM 0 HD3 ARG A 126 12.325 3.497 7.741 1.00 1.24 H new ATOM 0 HE ARG A 126 11.217 1.229 8.982 1.00 1.92 H new ATOM 0 HH11 ARG A 126 13.329 1.953 6.236 1.00 3.49 H new ATOM 0 HH12 ARG A 126 14.154 0.393 6.316 1.00 3.49 H new ATOM 0 HH21 ARG A 126 12.269 -0.769 9.064 1.00 3.79 H new ATOM 0 HH22 ARG A 126 13.556 -1.143 7.912 1.00 3.79 H new ATOM 1916 N VAL A 127 7.420 3.163 6.498 1.00 0.25 N ATOM 1917 CA VAL A 127 6.522 2.019 6.494 1.00 0.28 C ATOM 1918 C VAL A 127 6.027 1.741 5.073 1.00 0.28 C ATOM 1919 O VAL A 127 5.786 0.600 4.692 1.00 0.33 O ATOM 1920 CB VAL A 127 5.355 2.239 7.484 1.00 0.36 C ATOM 1921 CG1 VAL A 127 5.928 2.594 8.840 1.00 0.59 C ATOM 1922 CG2 VAL A 127 4.379 3.319 7.028 1.00 0.44 C ATOM 0 H VAL A 127 7.062 3.975 7.001 1.00 0.25 H new ATOM 0 HA VAL A 127 7.066 1.137 6.831 1.00 0.28 H new ATOM 0 HB VAL A 127 4.784 1.312 7.535 1.00 0.36 H new ATOM 0 HG11 VAL A 127 5.115 2.752 9.549 1.00 0.59 H new ATOM 0 HG12 VAL A 127 6.562 1.780 9.191 1.00 0.59 H new ATOM 0 HG13 VAL A 127 6.520 3.506 8.758 1.00 0.59 H new ATOM 0 HG21 VAL A 127 3.583 3.425 7.765 1.00 0.44 H new ATOM 0 HG22 VAL A 127 4.907 4.267 6.925 1.00 0.44 H new ATOM 0 HG23 VAL A 127 3.948 3.038 6.067 1.00 0.44 H new ATOM 1932 N MET A 128 5.951 2.806 4.293 1.00 0.27 N ATOM 1933 CA MET A 128 5.624 2.748 2.871 1.00 0.31 C ATOM 1934 C MET A 128 6.647 1.902 2.113 1.00 0.26 C ATOM 1935 O MET A 128 6.301 1.121 1.221 1.00 0.35 O ATOM 1936 CB MET A 128 5.602 4.190 2.351 1.00 0.52 C ATOM 1937 CG MET A 128 5.373 4.366 0.867 1.00 0.81 C ATOM 1938 SD MET A 128 5.328 6.121 0.422 1.00 0.67 S ATOM 1939 CE MET A 128 4.496 6.095 -1.162 1.00 0.46 C ATOM 0 H MET A 128 6.117 3.753 4.632 1.00 0.27 H new ATOM 0 HA MET A 128 4.653 2.276 2.718 1.00 0.31 H new ATOM 0 HB2 MET A 128 4.822 4.733 2.884 1.00 0.52 H new ATOM 0 HB3 MET A 128 6.551 4.661 2.608 1.00 0.52 H new ATOM 0 HG2 MET A 128 6.166 3.866 0.311 1.00 0.81 H new ATOM 0 HG3 MET A 128 4.435 3.890 0.581 1.00 0.81 H new ATOM 0 HE1 MET A 128 3.718 6.858 -1.177 1.00 0.46 H new ATOM 0 HE2 MET A 128 5.217 6.296 -1.955 1.00 0.46 H new ATOM 0 HE3 MET A 128 4.046 5.115 -1.321 1.00 0.46 H new ATOM 1949 N GLN A 129 7.908 2.048 2.488 1.00 0.24 N ATOM 1950 CA GLN A 129 8.981 1.278 1.870 1.00 0.27 C ATOM 1951 C GLN A 129 8.905 -0.200 2.236 1.00 0.30 C ATOM 1952 O GLN A 129 9.313 -1.053 1.455 1.00 0.33 O ATOM 1953 CB GLN A 129 10.348 1.831 2.262 1.00 0.32 C ATOM 1954 CG GLN A 129 10.865 2.900 1.318 1.00 0.42 C ATOM 1955 CD GLN A 129 12.213 3.446 1.748 1.00 0.54 C ATOM 1956 OE1 GLN A 129 12.526 3.495 2.940 1.00 1.17 O ATOM 1957 NE2 GLN A 129 13.026 3.837 0.784 1.00 1.31 N ATOM 0 H GLN A 129 8.216 2.692 3.217 1.00 0.24 H new ATOM 0 HA GLN A 129 8.852 1.370 0.792 1.00 0.27 H new ATOM 0 HB2 GLN A 129 10.288 2.245 3.268 1.00 0.32 H new ATOM 0 HB3 GLN A 129 11.066 1.011 2.297 1.00 0.32 H new ATOM 0 HG2 GLN A 129 10.947 2.485 0.313 1.00 0.42 H new ATOM 0 HG3 GLN A 129 10.144 3.716 1.268 1.00 0.42 H new ATOM 0 HE21 GLN A 129 12.727 3.780 -0.190 1.00 1.31 H new ATOM 0 HE22 GLN A 129 13.953 4.196 1.013 1.00 1.31 H new ATOM 1966 N GLU A 130 8.381 -0.509 3.412 1.00 0.37 N ATOM 1967 CA GLU A 130 8.263 -1.900 3.834 1.00 0.43 C ATOM 1968 C GLU A 130 7.255 -2.616 2.949 1.00 0.36 C ATOM 1969 O GLU A 130 7.356 -3.822 2.707 1.00 0.35 O ATOM 1970 CB GLU A 130 7.842 -1.987 5.298 1.00 0.61 C ATOM 1971 CG GLU A 130 8.439 -0.884 6.143 1.00 0.63 C ATOM 1972 CD GLU A 130 8.258 -1.102 7.632 1.00 1.04 C ATOM 1973 OE1 GLU A 130 7.118 -1.377 8.059 1.00 1.63 O ATOM 1974 OE2 GLU A 130 9.243 -0.985 8.383 1.00 1.64 O ATOM 0 H GLU A 130 8.034 0.174 4.086 1.00 0.37 H new ATOM 0 HA GLU A 130 9.235 -2.383 3.734 1.00 0.43 H new ATOM 0 HB2 GLU A 130 6.755 -1.941 5.363 1.00 0.61 H new ATOM 0 HB3 GLU A 130 8.145 -2.953 5.702 1.00 0.61 H new ATOM 0 HG2 GLU A 130 9.503 -0.802 5.922 1.00 0.63 H new ATOM 0 HG3 GLU A 130 7.982 0.065 5.864 1.00 0.63 H new ATOM 1981 N LEU A 131 6.291 -1.855 2.444 1.00 0.36 N ATOM 1982 CA LEU A 131 5.338 -2.386 1.491 1.00 0.37 C ATOM 1983 C LEU A 131 6.044 -2.775 0.214 1.00 0.29 C ATOM 1984 O LEU A 131 5.808 -3.854 -0.325 1.00 0.32 O ATOM 1985 CB LEU A 131 4.227 -1.386 1.184 1.00 0.49 C ATOM 1986 CG LEU A 131 3.077 -1.380 2.184 1.00 0.71 C ATOM 1987 CD1 LEU A 131 2.498 -2.769 2.317 1.00 1.36 C ATOM 1988 CD2 LEU A 131 3.549 -0.894 3.528 1.00 1.18 C ATOM 0 H LEU A 131 6.153 -0.872 2.681 1.00 0.36 H new ATOM 0 HA LEU A 131 4.880 -3.267 1.940 1.00 0.37 H new ATOM 0 HB2 LEU A 131 4.659 -0.386 1.143 1.00 0.49 H new ATOM 0 HB3 LEU A 131 3.827 -1.602 0.193 1.00 0.49 H new ATOM 0 HG LEU A 131 2.305 -0.703 1.818 1.00 0.71 H new ATOM 0 HD11 LEU A 131 1.677 -2.754 3.034 1.00 1.36 H new ATOM 0 HD12 LEU A 131 2.127 -3.103 1.348 1.00 1.36 H new ATOM 0 HD13 LEU A 131 3.271 -3.454 2.665 1.00 1.36 H new ATOM 0 HD21 LEU A 131 2.715 -0.896 4.229 1.00 1.18 H new ATOM 0 HD22 LEU A 131 4.335 -1.552 3.897 1.00 1.18 H new ATOM 0 HD23 LEU A 131 3.939 0.119 3.432 1.00 1.18 H new ATOM 2000 N MET A 132 6.938 -1.917 -0.267 1.00 0.25 N ATOM 2001 CA MET A 132 7.642 -2.223 -1.501 1.00 0.26 C ATOM 2002 C MET A 132 8.634 -3.358 -1.291 1.00 0.30 C ATOM 2003 O MET A 132 9.179 -3.902 -2.252 1.00 0.37 O ATOM 2004 CB MET A 132 8.358 -1.009 -2.096 1.00 0.32 C ATOM 2005 CG MET A 132 9.673 -0.664 -1.414 1.00 0.88 C ATOM 2006 SD MET A 132 10.556 0.682 -2.225 1.00 1.60 S ATOM 2007 CE MET A 132 10.591 0.095 -3.915 1.00 1.61 C ATOM 0 H MET A 132 7.186 -1.028 0.167 1.00 0.25 H new ATOM 0 HA MET A 132 6.881 -2.532 -2.217 1.00 0.26 H new ATOM 0 HB2 MET A 132 8.548 -1.195 -3.153 1.00 0.32 H new ATOM 0 HB3 MET A 132 7.695 -0.146 -2.039 1.00 0.32 H new ATOM 0 HG2 MET A 132 9.477 -0.390 -0.377 1.00 0.88 H new ATOM 0 HG3 MET A 132 10.309 -1.549 -1.395 1.00 0.88 H new ATOM 0 HE1 MET A 132 11.415 0.569 -4.448 1.00 1.61 H new ATOM 0 HE2 MET A 132 10.729 -0.986 -3.922 1.00 1.61 H new ATOM 0 HE3 MET A 132 9.650 0.344 -4.406 1.00 1.61 H new ATOM 2017 N GLU A 133 8.855 -3.730 -0.040 1.00 0.32 N ATOM 2018 CA GLU A 133 9.709 -4.856 0.264 1.00 0.40 C ATOM 2019 C GLU A 133 8.937 -6.137 0.036 1.00 0.38 C ATOM 2020 O GLU A 133 9.508 -7.177 -0.289 1.00 0.45 O ATOM 2021 CB GLU A 133 10.236 -4.775 1.690 1.00 0.54 C ATOM 2022 CG GLU A 133 11.214 -3.633 1.895 1.00 0.79 C ATOM 2023 CD GLU A 133 11.981 -3.751 3.190 1.00 1.07 C ATOM 2024 OE1 GLU A 133 12.849 -4.640 3.297 1.00 1.67 O ATOM 2025 OE2 GLU A 133 11.723 -2.950 4.111 1.00 1.53 O ATOM 0 H GLU A 133 8.454 -3.267 0.776 1.00 0.32 H new ATOM 0 HA GLU A 133 10.576 -4.839 -0.397 1.00 0.40 H new ATOM 0 HB2 GLU A 133 9.397 -4.656 2.376 1.00 0.54 H new ATOM 0 HB3 GLU A 133 10.725 -5.715 1.945 1.00 0.54 H new ATOM 0 HG2 GLU A 133 11.917 -3.607 1.062 1.00 0.79 H new ATOM 0 HG3 GLU A 133 10.671 -2.688 1.883 1.00 0.79 H new ATOM 2032 N TYR A 134 7.622 -6.056 0.198 1.00 0.35 N ATOM 2033 CA TYR A 134 6.748 -7.124 -0.242 1.00 0.40 C ATOM 2034 C TYR A 134 6.263 -6.839 -1.665 1.00 0.41 C ATOM 2035 O TYR A 134 5.236 -7.349 -2.116 1.00 0.50 O ATOM 2036 CB TYR A 134 5.601 -7.304 0.738 1.00 0.46 C ATOM 2037 CG TYR A 134 6.051 -7.899 2.057 1.00 0.55 C ATOM 2038 CD1 TYR A 134 6.371 -9.249 2.167 1.00 0.98 C ATOM 2039 CD2 TYR A 134 6.130 -7.115 3.201 1.00 0.88 C ATOM 2040 CE1 TYR A 134 6.756 -9.795 3.374 1.00 1.08 C ATOM 2041 CE2 TYR A 134 6.513 -7.656 4.412 1.00 0.95 C ATOM 2042 CZ TYR A 134 6.930 -8.988 4.463 1.00 0.80 C ATOM 2043 OH TYR A 134 7.199 -9.542 5.703 1.00 0.95 O ATOM 0 H TYR A 134 7.144 -5.265 0.629 1.00 0.35 H new ATOM 0 HA TYR A 134 7.296 -8.066 -0.264 1.00 0.40 H new ATOM 0 HB2 TYR A 134 5.129 -6.339 0.921 1.00 0.46 H new ATOM 0 HB3 TYR A 134 4.844 -7.949 0.292 1.00 0.46 H new ATOM 0 HD1 TYR A 134 6.317 -9.880 1.292 1.00 0.98 H new ATOM 0 HD2 TYR A 134 5.888 -6.064 3.142 1.00 0.88 H new ATOM 0 HE1 TYR A 134 6.920 -10.859 3.458 1.00 1.08 H new ATOM 0 HE2 TYR A 134 6.490 -7.056 5.310 1.00 0.95 H new ATOM 0 HH TYR A 134 7.295 -8.827 6.367 1.00 0.95 H new ATOM 2053 N ASN A 135 7.061 -6.013 -2.354 1.00 0.36 N ATOM 2054 CA ASN A 135 6.856 -5.632 -3.749 1.00 0.43 C ATOM 2055 C ASN A 135 5.530 -4.902 -3.947 1.00 0.48 C ATOM 2056 O ASN A 135 4.761 -5.190 -4.865 1.00 0.64 O ATOM 2057 CB ASN A 135 6.961 -6.856 -4.663 1.00 0.58 C ATOM 2058 CG ASN A 135 7.022 -6.502 -6.131 1.00 0.71 C ATOM 2059 OD1 ASN A 135 7.490 -5.427 -6.510 1.00 0.89 O ATOM 2060 ND2 ASN A 135 6.572 -7.414 -6.966 1.00 1.10 N ATOM 0 H ASN A 135 7.888 -5.582 -1.941 1.00 0.36 H new ATOM 0 HA ASN A 135 7.647 -4.934 -4.023 1.00 0.43 H new ATOM 0 HB2 ASN A 135 7.852 -7.425 -4.396 1.00 0.58 H new ATOM 0 HB3 ASN A 135 6.104 -7.506 -4.488 1.00 0.58 H new ATOM 0 HD21 ASN A 135 6.603 -7.244 -7.971 1.00 1.10 H new ATOM 0 HD22 ASN A 135 6.193 -8.291 -6.608 1.00 1.10 H new ATOM 2067 N LEU A 136 5.269 -3.955 -3.069 1.00 0.44 N ATOM 2068 CA LEU A 136 4.147 -3.065 -3.219 1.00 0.54 C ATOM 2069 C LEU A 136 4.640 -1.660 -3.458 1.00 0.41 C ATOM 2070 O LEU A 136 4.921 -0.911 -2.523 1.00 0.47 O ATOM 2071 CB LEU A 136 3.279 -3.130 -1.994 1.00 0.78 C ATOM 2072 CG LEU A 136 2.538 -4.444 -1.831 1.00 0.64 C ATOM 2073 CD1 LEU A 136 1.971 -4.551 -0.436 1.00 1.36 C ATOM 2074 CD2 LEU A 136 1.443 -4.543 -2.878 1.00 1.17 C ATOM 0 H LEU A 136 5.830 -3.785 -2.235 1.00 0.44 H new ATOM 0 HA LEU A 136 3.550 -3.370 -4.078 1.00 0.54 H new ATOM 0 HB2 LEU A 136 3.899 -2.963 -1.113 1.00 0.78 H new ATOM 0 HB3 LEU A 136 2.553 -2.318 -2.032 1.00 0.78 H new ATOM 0 HG LEU A 136 3.230 -5.274 -1.975 1.00 0.64 H new ATOM 0 HD11 LEU A 136 1.441 -5.498 -0.330 1.00 1.36 H new ATOM 0 HD12 LEU A 136 2.782 -4.506 0.291 1.00 1.36 H new ATOM 0 HD13 LEU A 136 1.280 -3.727 -0.260 1.00 1.36 H new ATOM 0 HD21 LEU A 136 0.911 -5.487 -2.760 1.00 1.17 H new ATOM 0 HD22 LEU A 136 0.745 -3.715 -2.754 1.00 1.17 H new ATOM 0 HD23 LEU A 136 1.886 -4.498 -3.873 1.00 1.17 H new ATOM 2086 N VAL A 137 4.751 -1.314 -4.718 1.00 0.31 N ATOM 2087 CA VAL A 137 5.366 -0.064 -5.096 1.00 0.27 C ATOM 2088 C VAL A 137 4.315 0.954 -5.473 1.00 0.29 C ATOM 2089 O VAL A 137 3.478 0.707 -6.332 1.00 0.33 O ATOM 2090 CB VAL A 137 6.340 -0.241 -6.266 1.00 0.29 C ATOM 2091 CG1 VAL A 137 7.038 1.075 -6.574 1.00 0.43 C ATOM 2092 CG2 VAL A 137 7.344 -1.338 -5.955 1.00 0.41 C ATOM 0 H VAL A 137 4.423 -1.881 -5.500 1.00 0.31 H new ATOM 0 HA VAL A 137 5.926 0.291 -4.231 1.00 0.27 H new ATOM 0 HB VAL A 137 5.780 -0.540 -7.152 1.00 0.29 H new ATOM 0 HG11 VAL A 137 7.727 0.935 -7.407 1.00 0.43 H new ATOM 0 HG12 VAL A 137 6.295 1.827 -6.840 1.00 0.43 H new ATOM 0 HG13 VAL A 137 7.593 1.407 -5.696 1.00 0.43 H new ATOM 0 HG21 VAL A 137 8.029 -1.453 -6.795 1.00 0.41 H new ATOM 0 HG22 VAL A 137 7.907 -1.073 -5.060 1.00 0.41 H new ATOM 0 HG23 VAL A 137 6.817 -2.277 -5.786 1.00 0.41 H new ATOM 2102 N PRO A 138 4.327 2.090 -4.791 1.00 0.34 N ATOM 2103 CA PRO A 138 3.437 3.198 -5.078 1.00 0.43 C ATOM 2104 C PRO A 138 3.600 3.735 -6.481 1.00 0.43 C ATOM 2105 O PRO A 138 4.649 3.591 -7.115 1.00 0.45 O ATOM 2106 CB PRO A 138 3.834 4.272 -4.075 1.00 0.53 C ATOM 2107 CG PRO A 138 5.132 3.841 -3.509 1.00 0.54 C ATOM 2108 CD PRO A 138 5.171 2.357 -3.632 1.00 0.39 C ATOM 0 HA PRO A 138 2.396 2.884 -5.002 1.00 0.43 H new ATOM 0 HB2 PRO A 138 3.923 5.244 -4.559 1.00 0.53 H new ATOM 0 HB3 PRO A 138 3.081 4.373 -3.293 1.00 0.53 H new ATOM 0 HG2 PRO A 138 5.962 4.298 -4.048 1.00 0.54 H new ATOM 0 HG3 PRO A 138 5.222 4.147 -2.467 1.00 0.54 H new ATOM 0 HD2 PRO A 138 6.187 1.993 -3.783 1.00 0.39 H new ATOM 0 HD3 PRO A 138 4.788 1.870 -2.735 1.00 0.39 H new ATOM 2116 N GLU A 139 2.555 4.382 -6.931 1.00 0.48 N ATOM 2117 CA GLU A 139 2.508 4.944 -8.273 1.00 0.56 C ATOM 2118 C GLU A 139 3.260 6.264 -8.326 1.00 0.56 C ATOM 2119 O GLU A 139 3.529 6.801 -9.403 1.00 0.64 O ATOM 2120 CB GLU A 139 1.064 5.112 -8.747 1.00 0.71 C ATOM 2121 CG GLU A 139 0.340 3.789 -8.939 1.00 1.35 C ATOM 2122 CD GLU A 139 0.976 2.925 -10.013 1.00 2.40 C ATOM 2123 OE1 GLU A 139 2.160 2.559 -9.862 1.00 3.08 O ATOM 2124 OE2 GLU A 139 0.298 2.625 -11.015 1.00 2.78 O ATOM 0 H GLU A 139 1.709 4.538 -6.384 1.00 0.48 H new ATOM 0 HA GLU A 139 2.999 4.247 -8.952 1.00 0.56 H new ATOM 0 HB2 GLU A 139 0.518 5.716 -8.022 1.00 0.71 H new ATOM 0 HB3 GLU A 139 1.059 5.662 -9.688 1.00 0.71 H new ATOM 0 HG2 GLU A 139 0.333 3.243 -7.996 1.00 1.35 H new ATOM 0 HG3 GLU A 139 -0.700 3.983 -9.203 1.00 1.35 H new ATOM 2131 N GLU A 140 3.593 6.788 -7.155 1.00 0.54 N ATOM 2132 CA GLU A 140 4.536 7.890 -7.055 1.00 0.60 C ATOM 2133 C GLU A 140 5.941 7.405 -7.406 1.00 0.56 C ATOM 2134 O GLU A 140 6.821 8.203 -7.733 1.00 0.65 O ATOM 2135 CB GLU A 140 4.529 8.516 -5.647 1.00 0.67 C ATOM 2136 CG GLU A 140 4.318 7.530 -4.516 1.00 0.63 C ATOM 2137 CD GLU A 140 2.857 7.381 -4.135 1.00 1.12 C ATOM 2138 OE1 GLU A 140 2.130 6.644 -4.834 1.00 1.57 O ATOM 2139 OE2 GLU A 140 2.438 7.983 -3.128 1.00 1.27 O ATOM 0 H GLU A 140 3.223 6.466 -6.260 1.00 0.54 H new ATOM 0 HA GLU A 140 4.229 8.660 -7.763 1.00 0.60 H new ATOM 0 HB2 GLU A 140 5.476 9.032 -5.489 1.00 0.67 H new ATOM 0 HB3 GLU A 140 3.744 9.271 -5.604 1.00 0.67 H new ATOM 0 HG2 GLU A 140 4.714 6.558 -4.808 1.00 0.63 H new ATOM 0 HG3 GLU A 140 4.885 7.856 -3.644 1.00 0.63 H new ATOM 2146 N TRP A 141 6.149 6.087 -7.332 1.00 0.47 N ATOM 2147 CA TRP A 141 7.442 5.500 -7.619 1.00 0.49 C ATOM 2148 C TRP A 141 7.410 4.694 -8.916 1.00 0.51 C ATOM 2149 O TRP A 141 8.449 4.433 -9.519 1.00 0.66 O ATOM 2150 CB TRP A 141 7.877 4.627 -6.460 1.00 0.45 C ATOM 2151 CG TRP A 141 8.022 5.370 -5.159 1.00 0.46 C ATOM 2152 CD1 TRP A 141 7.920 6.716 -4.954 1.00 0.54 C ATOM 2153 CD2 TRP A 141 8.298 4.798 -3.883 1.00 0.44 C ATOM 2154 NE1 TRP A 141 8.101 7.011 -3.628 1.00 0.55 N ATOM 2155 CE2 TRP A 141 8.337 5.846 -2.947 1.00 0.49 C ATOM 2156 CE3 TRP A 141 8.508 3.496 -3.443 1.00 0.45 C ATOM 2157 CZ2 TRP A 141 8.580 5.630 -1.594 1.00 0.52 C ATOM 2158 CZ3 TRP A 141 8.749 3.278 -2.103 1.00 0.50 C ATOM 2159 CH2 TRP A 141 8.783 4.338 -1.191 1.00 0.52 C ATOM 0 H TRP A 141 5.429 5.412 -7.074 1.00 0.47 H new ATOM 0 HA TRP A 141 8.164 6.306 -7.751 1.00 0.49 H new ATOM 0 HB2 TRP A 141 7.151 3.824 -6.330 1.00 0.45 H new ATOM 0 HB3 TRP A 141 8.829 4.159 -6.708 1.00 0.45 H new ATOM 0 HD1 TRP A 141 7.724 7.445 -5.727 1.00 0.54 H new ATOM 0 HE1 TRP A 141 8.066 7.944 -3.216 1.00 0.55 H new ATOM 0 HE3 TRP A 141 8.483 2.670 -4.138 1.00 0.45 H new ATOM 0 HZ2 TRP A 141 8.607 6.449 -0.890 1.00 0.52 H new ATOM 0 HZ3 TRP A 141 8.915 2.270 -1.751 1.00 0.50 H new ATOM 0 HH2 TRP A 141 8.973 4.133 -0.148 1.00 0.52 H new ATOM 2170 N GLY A 142 6.211 4.299 -9.334 1.00 0.45 N ATOM 2171 CA GLY A 142 6.053 3.620 -10.609 1.00 0.50 C ATOM 2172 C GLY A 142 5.841 2.122 -10.473 1.00 0.45 C ATOM 2173 O GLY A 142 6.204 1.359 -11.371 1.00 0.53 O ATOM 0 H GLY A 142 5.345 4.437 -8.813 1.00 0.45 H new ATOM 0 HA2 GLY A 142 5.205 4.053 -11.140 1.00 0.50 H new ATOM 0 HA3 GLY A 142 6.937 3.800 -11.220 1.00 0.50 H new ATOM 2177 N GLY A 143 5.254 1.700 -9.359 1.00 0.39 N ATOM 2178 CA GLY A 143 4.984 0.281 -9.154 1.00 0.41 C ATOM 2179 C GLY A 143 3.584 -0.116 -9.582 1.00 0.45 C ATOM 2180 O GLY A 143 3.303 -0.212 -10.779 1.00 0.60 O ATOM 0 H GLY A 143 4.960 2.308 -8.595 1.00 0.39 H new ATOM 0 HA2 GLY A 143 5.711 -0.308 -9.713 1.00 0.41 H new ATOM 0 HA3 GLY A 143 5.120 0.038 -8.100 1.00 0.41 H new ATOM 2184 N ASP A 144 2.711 -0.373 -8.605 1.00 0.40 N ATOM 2185 CA ASP A 144 1.303 -0.634 -8.881 1.00 0.45 C ATOM 2186 C ASP A 144 0.480 -0.551 -7.589 1.00 0.33 C ATOM 2187 O ASP A 144 -0.179 -1.514 -7.158 1.00 0.35 O ATOM 2188 CB ASP A 144 1.134 -2.013 -9.510 1.00 0.64 C ATOM 2189 CG ASP A 144 -0.076 -2.116 -10.420 1.00 1.33 C ATOM 2190 OD1 ASP A 144 -1.198 -2.291 -9.897 1.00 1.91 O ATOM 2191 OD2 ASP A 144 0.073 -1.994 -11.648 1.00 1.91 O ATOM 0 H ASP A 144 2.958 -0.405 -7.616 1.00 0.40 H new ATOM 0 HA ASP A 144 0.944 0.123 -9.579 1.00 0.45 H new ATOM 0 HB2 ASP A 144 2.030 -2.256 -10.081 1.00 0.64 H new ATOM 0 HB3 ASP A 144 1.048 -2.757 -8.718 1.00 0.64 H new ATOM 2196 N THR A 145 0.496 0.620 -6.981 1.00 0.26 N ATOM 2197 CA THR A 145 -0.216 0.852 -5.734 1.00 0.24 C ATOM 2198 C THR A 145 -0.356 2.346 -5.467 1.00 0.27 C ATOM 2199 O THR A 145 0.603 3.095 -5.601 1.00 0.37 O ATOM 2200 CB THR A 145 0.519 0.200 -4.538 1.00 0.25 C ATOM 2201 OG1 THR A 145 0.603 -1.222 -4.701 1.00 0.30 O ATOM 2202 CG2 THR A 145 -0.194 0.510 -3.236 1.00 0.30 C ATOM 0 H THR A 145 0.999 1.434 -7.333 1.00 0.26 H new ATOM 0 HA THR A 145 -1.203 0.400 -5.836 1.00 0.24 H new ATOM 0 HB THR A 145 1.526 0.616 -4.506 1.00 0.25 H new ATOM 0 HG1 THR A 145 0.032 -1.500 -5.448 1.00 0.30 H new ATOM 0 HG21 THR A 145 0.339 0.042 -2.409 1.00 0.30 H new ATOM 0 HG22 THR A 145 -0.223 1.589 -3.085 1.00 0.30 H new ATOM 0 HG23 THR A 145 -1.212 0.122 -3.277 1.00 0.30 H new ATOM 2210 N ILE A 146 -1.543 2.783 -5.089 1.00 0.26 N ATOM 2211 CA ILE A 146 -1.739 4.154 -4.682 1.00 0.28 C ATOM 2212 C ILE A 146 -1.684 4.246 -3.163 1.00 0.23 C ATOM 2213 O ILE A 146 -2.559 3.733 -2.466 1.00 0.24 O ATOM 2214 CB ILE A 146 -3.086 4.705 -5.200 1.00 0.36 C ATOM 2215 CG1 ILE A 146 -3.051 4.871 -6.722 1.00 0.53 C ATOM 2216 CG2 ILE A 146 -3.430 6.020 -4.524 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -2.021 5.873 -7.198 1.00 0.63 C ATOM 0 H ILE A 146 -2.383 2.205 -5.057 1.00 0.26 H new ATOM 0 HA ILE A 146 -0.943 4.760 -5.114 1.00 0.28 H new ATOM 0 HB ILE A 146 -3.865 3.984 -4.951 1.00 0.36 H new ATOM 0 HG12 ILE A 146 -2.844 3.904 -7.180 1.00 0.53 H new ATOM 0 HG13 ILE A 146 -4.036 5.183 -7.068 1.00 0.53 H new ATOM 0 HG21 ILE A 146 -4.383 6.387 -4.906 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -3.505 5.867 -3.447 1.00 0.34 H new ATOM 0 HG23 ILE A 146 -2.649 6.752 -4.733 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -2.053 5.939 -8.286 1.00 0.63 H new ATOM 0 HD12 ILE A 146 -2.239 6.851 -6.769 1.00 0.63 H new ATOM 0 HD13 ILE A 146 -1.028 5.552 -6.883 1.00 0.63 H new ATOM 2229 N PHE A 147 -0.628 4.855 -2.652 1.00 0.25 N ATOM 2230 CA PHE A 147 -0.492 5.055 -1.219 1.00 0.30 C ATOM 2231 C PHE A 147 -1.109 6.378 -0.812 1.00 0.32 C ATOM 2232 O PHE A 147 -1.148 7.339 -1.584 1.00 0.50 O ATOM 2233 CB PHE A 147 0.966 5.086 -0.792 1.00 0.41 C ATOM 2234 CG PHE A 147 1.676 3.757 -0.782 1.00 0.33 C ATOM 2235 CD1 PHE A 147 1.845 3.052 -1.963 1.00 0.32 C ATOM 2236 CD2 PHE A 147 2.161 3.205 0.388 1.00 0.37 C ATOM 2237 CE1 PHE A 147 2.484 1.828 -1.977 1.00 0.33 C ATOM 2238 CE2 PHE A 147 2.802 1.980 0.379 1.00 0.36 C ATOM 2239 CZ PHE A 147 3.007 1.316 -0.726 1.00 0.33 C ATOM 0 H PHE A 147 0.147 5.219 -3.207 1.00 0.25 H new ATOM 0 HA PHE A 147 -0.999 4.220 -0.736 1.00 0.30 H new ATOM 0 HB2 PHE A 147 1.506 5.760 -1.458 1.00 0.41 H new ATOM 0 HB3 PHE A 147 1.023 5.514 0.209 1.00 0.41 H new ATOM 0 HD1 PHE A 147 1.471 3.467 -2.887 1.00 0.32 H new ATOM 0 HD2 PHE A 147 2.038 3.736 1.320 1.00 0.37 H new ATOM 0 HE1 PHE A 147 2.591 1.268 -2.894 1.00 0.33 H new ATOM 0 HE2 PHE A 147 3.143 1.560 1.314 1.00 0.36 H new ATOM 0 HZ PHE A 147 3.563 0.390 -0.708 1.00 0.33 H new ATOM 2249 N CYS A 148 -1.584 6.406 0.400 1.00 0.26 N ATOM 2250 CA CYS A 148 -2.045 7.616 1.044 1.00 0.27 C ATOM 2251 C CYS A 148 -1.431 7.725 2.436 1.00 0.31 C ATOM 2252 O CYS A 148 -1.505 6.785 3.216 1.00 0.53 O ATOM 2253 CB CYS A 148 -3.566 7.593 1.148 1.00 0.30 C ATOM 2254 SG CYS A 148 -4.418 7.725 -0.440 1.00 0.68 S ATOM 0 H CYS A 148 -1.666 5.575 0.985 1.00 0.26 H new ATOM 0 HA CYS A 148 -1.740 8.479 0.452 1.00 0.27 H new ATOM 0 HB2 CYS A 148 -3.872 6.668 1.636 1.00 0.30 H new ATOM 0 HB3 CYS A 148 -3.888 8.413 1.790 1.00 0.30 H new ATOM 0 HG CYS A 148 -5.552 7.092 -0.378 1.00 0.68 H new ATOM 2260 N LYS A 149 -0.799 8.849 2.732 1.00 0.29 N ATOM 2261 CA LYS A 149 -0.233 9.080 4.062 1.00 0.28 C ATOM 2262 C LYS A 149 -1.238 9.858 4.902 1.00 0.28 C ATOM 2263 O LYS A 149 -1.217 11.088 4.929 1.00 0.40 O ATOM 2264 CB LYS A 149 1.085 9.862 3.978 1.00 0.36 C ATOM 2265 CG LYS A 149 2.196 9.168 3.198 1.00 0.56 C ATOM 2266 CD LYS A 149 2.113 9.454 1.706 1.00 0.89 C ATOM 2267 CE LYS A 149 3.374 9.002 0.979 1.00 1.01 C ATOM 2268 NZ LYS A 149 4.588 9.715 1.474 1.00 1.44 N ATOM 0 H LYS A 149 -0.662 9.617 2.075 1.00 0.29 H new ATOM 0 HA LYS A 149 -0.023 8.115 4.523 1.00 0.28 H new ATOM 0 HB2 LYS A 149 0.887 10.830 3.517 1.00 0.36 H new ATOM 0 HB3 LYS A 149 1.439 10.058 4.990 1.00 0.36 H new ATOM 0 HG2 LYS A 149 3.164 9.497 3.576 1.00 0.56 H new ATOM 0 HG3 LYS A 149 2.138 8.092 3.364 1.00 0.56 H new ATOM 0 HD2 LYS A 149 1.247 8.944 1.285 1.00 0.89 H new ATOM 0 HD3 LYS A 149 1.963 10.522 1.547 1.00 0.89 H new ATOM 0 HE2 LYS A 149 3.504 7.928 1.112 1.00 1.01 H new ATOM 0 HE3 LYS A 149 3.260 9.179 -0.090 1.00 1.01 H new ATOM 0 HZ1 LYS A 149 5.413 9.429 0.909 1.00 1.44 H new ATOM 0 HZ2 LYS A 149 4.447 10.742 1.387 1.00 1.44 H new ATOM 0 HZ3 LYS A 149 4.751 9.472 2.472 1.00 1.44 H new ATOM 2282 N LEU A 150 -2.126 9.145 5.577 1.00 0.21 N ATOM 2283 CA LEU A 150 -3.235 9.775 6.234 1.00 0.22 C ATOM 2284 C LEU A 150 -3.193 9.613 7.745 1.00 0.19 C ATOM 2285 O LEU A 150 -2.399 8.876 8.307 1.00 0.17 O ATOM 2286 CB LEU A 150 -4.522 9.179 5.676 1.00 0.25 C ATOM 2287 CG LEU A 150 -5.021 7.884 6.316 1.00 0.26 C ATOM 2288 CD1 LEU A 150 -6.220 7.377 5.560 1.00 0.79 C ATOM 2289 CD2 LEU A 150 -3.955 6.817 6.345 1.00 0.84 C ATOM 0 H LEU A 150 -2.091 8.131 5.678 1.00 0.21 H new ATOM 0 HA LEU A 150 -3.185 10.846 6.040 1.00 0.22 H new ATOM 0 HB2 LEU A 150 -5.309 9.927 5.767 1.00 0.25 H new ATOM 0 HB3 LEU A 150 -4.377 8.997 4.611 1.00 0.25 H new ATOM 0 HG LEU A 150 -5.292 8.109 7.348 1.00 0.26 H new ATOM 0 HD11 LEU A 150 -6.575 6.453 6.017 1.00 0.79 H new ATOM 0 HD12 LEU A 150 -7.012 8.125 5.591 1.00 0.79 H new ATOM 0 HD13 LEU A 150 -5.942 7.185 4.524 1.00 0.79 H new ATOM 0 HD21 LEU A 150 -4.355 5.915 6.808 1.00 0.84 H new ATOM 0 HD22 LEU A 150 -3.638 6.592 5.327 1.00 0.84 H new ATOM 0 HD23 LEU A 150 -3.100 7.172 6.921 1.00 0.84 H new ATOM 2301 N SER A 151 -4.057 10.330 8.393 1.00 0.26 N ATOM 2302 CA SER A 151 -4.276 10.187 9.793 1.00 0.29 C ATOM 2303 C SER A 151 -5.762 10.049 10.020 1.00 0.25 C ATOM 2304 O SER A 151 -6.509 11.019 9.893 1.00 0.29 O ATOM 2305 CB SER A 151 -3.751 11.415 10.503 1.00 0.46 C ATOM 2306 OG SER A 151 -4.049 12.580 9.752 1.00 1.77 O ATOM 0 H SER A 151 -4.639 11.043 7.953 1.00 0.26 H new ATOM 0 HA SER A 151 -3.759 9.309 10.181 1.00 0.29 H new ATOM 0 HB2 SER A 151 -4.197 11.489 11.495 1.00 0.46 H new ATOM 0 HB3 SER A 151 -2.673 11.330 10.644 1.00 0.46 H new ATOM 0 HG SER A 151 -4.144 13.344 10.358 1.00 1.77 H new ATOM 2312 N ALA A 152 -6.206 8.847 10.302 1.00 0.28 N ATOM 2313 CA ALA A 152 -7.604 8.634 10.587 1.00 0.31 C ATOM 2314 C ALA A 152 -7.930 9.157 11.970 1.00 0.33 C ATOM 2315 O ALA A 152 -9.092 9.249 12.351 1.00 0.41 O ATOM 2316 CB ALA A 152 -7.955 7.172 10.461 1.00 0.41 C ATOM 0 H ALA A 152 -5.625 8.009 10.340 1.00 0.28 H new ATOM 0 HA ALA A 152 -8.203 9.181 9.860 1.00 0.31 H new ATOM 0 HB1 ALA A 152 -9.014 7.032 10.680 1.00 0.41 H new ATOM 0 HB2 ALA A 152 -7.746 6.834 9.446 1.00 0.41 H new ATOM 0 HB3 ALA A 152 -7.359 6.593 11.166 1.00 0.41 H new ATOM 2322 N LYS A 153 -6.891 9.506 12.724 1.00 0.30 N ATOM 2323 CA LYS A 153 -7.107 10.124 14.027 1.00 0.34 C ATOM 2324 C LYS A 153 -7.364 11.623 13.916 1.00 0.36 C ATOM 2325 O LYS A 153 -8.296 12.126 14.538 1.00 0.49 O ATOM 2326 CB LYS A 153 -5.973 9.839 14.994 1.00 0.35 C ATOM 2327 CG LYS A 153 -6.244 8.640 15.889 1.00 0.60 C ATOM 2328 CD LYS A 153 -6.145 9.000 17.364 1.00 1.12 C ATOM 2329 CE LYS A 153 -4.734 9.416 17.749 1.00 1.65 C ATOM 2330 NZ LYS A 153 -4.610 9.676 19.208 1.00 2.30 N ATOM 0 H LYS A 153 -5.914 9.375 12.463 1.00 0.30 H new ATOM 0 HA LYS A 153 -8.007 9.664 14.434 1.00 0.34 H new ATOM 0 HB2 LYS A 153 -5.057 9.665 14.430 1.00 0.35 H new ATOM 0 HB3 LYS A 153 -5.803 10.718 15.615 1.00 0.35 H new ATOM 0 HG2 LYS A 153 -7.238 8.246 15.677 1.00 0.60 H new ATOM 0 HG3 LYS A 153 -5.532 7.847 15.660 1.00 0.60 H new ATOM 0 HD2 LYS A 153 -6.837 9.812 17.588 1.00 1.12 H new ATOM 0 HD3 LYS A 153 -6.450 8.146 17.968 1.00 1.12 H new ATOM 0 HE2 LYS A 153 -4.033 8.633 17.459 1.00 1.65 H new ATOM 0 HE3 LYS A 153 -4.457 10.313 17.196 1.00 1.65 H new ATOM 0 HZ1 LYS A 153 -3.633 9.957 19.429 1.00 2.30 H new ATOM 0 HZ2 LYS A 153 -5.260 10.441 19.481 1.00 2.30 H new ATOM 0 HZ3 LYS A 153 -4.850 8.813 19.736 1.00 2.30 H new ATOM 2344 N THR A 154 -6.564 12.352 13.133 1.00 0.30 N ATOM 2345 CA THR A 154 -6.837 13.780 12.966 1.00 0.39 C ATOM 2346 C THR A 154 -7.837 14.026 11.845 1.00 0.36 C ATOM 2347 O THR A 154 -8.247 15.162 11.593 1.00 0.41 O ATOM 2348 CB THR A 154 -5.565 14.625 12.738 1.00 0.47 C ATOM 2349 OG1 THR A 154 -4.675 13.975 11.833 1.00 0.50 O ATOM 2350 CG2 THR A 154 -4.848 14.898 14.051 1.00 0.70 C ATOM 0 H THR A 154 -5.755 11.996 12.624 1.00 0.30 H new ATOM 0 HA THR A 154 -7.271 14.108 13.911 1.00 0.39 H new ATOM 0 HB THR A 154 -5.878 15.575 12.304 1.00 0.47 H new ATOM 0 HG1 THR A 154 -3.752 14.223 12.047 1.00 0.50 H new ATOM 0 HG21 THR A 154 -3.956 15.495 13.861 1.00 0.70 H new ATOM 0 HG22 THR A 154 -5.513 15.442 14.722 1.00 0.70 H new ATOM 0 HG23 THR A 154 -4.561 13.953 14.512 1.00 0.70 H new ATOM 2358 N LYS A 155 -8.226 12.937 11.179 1.00 0.30 N ATOM 2359 CA LYS A 155 -9.295 12.963 10.182 1.00 0.32 C ATOM 2360 C LYS A 155 -8.900 13.812 8.998 1.00 0.34 C ATOM 2361 O LYS A 155 -9.676 14.621 8.499 1.00 0.41 O ATOM 2362 CB LYS A 155 -10.606 13.464 10.790 1.00 0.38 C ATOM 2363 CG LYS A 155 -11.225 12.472 11.747 1.00 0.40 C ATOM 2364 CD LYS A 155 -11.328 11.104 11.098 1.00 0.45 C ATOM 2365 CE LYS A 155 -12.100 10.123 11.970 1.00 0.61 C ATOM 2366 NZ LYS A 155 -13.363 10.699 12.504 1.00 1.36 N ATOM 0 H LYS A 155 -7.810 12.016 11.316 1.00 0.30 H new ATOM 0 HA LYS A 155 -9.454 11.942 9.836 1.00 0.32 H new ATOM 0 HB2 LYS A 155 -10.423 14.402 11.314 1.00 0.38 H new ATOM 0 HB3 LYS A 155 -11.314 13.679 9.989 1.00 0.38 H new ATOM 0 HG2 LYS A 155 -10.623 12.407 12.653 1.00 0.40 H new ATOM 0 HG3 LYS A 155 -12.215 12.815 12.046 1.00 0.40 H new ATOM 0 HD2 LYS A 155 -11.821 11.197 10.130 1.00 0.45 H new ATOM 0 HD3 LYS A 155 -10.328 10.714 10.910 1.00 0.45 H new ATOM 0 HE2 LYS A 155 -12.330 9.230 11.389 1.00 0.61 H new ATOM 0 HE3 LYS A 155 -11.469 9.808 12.801 1.00 0.61 H new ATOM 0 HZ1 LYS A 155 -13.928 9.946 12.946 1.00 1.36 H new ATOM 0 HZ2 LYS A 155 -13.140 11.426 13.213 1.00 1.36 H new ATOM 0 HZ3 LYS A 155 -13.905 11.128 11.727 1.00 1.36 H new ATOM 2380 N GLU A 156 -7.688 13.597 8.552 1.00 0.30 N ATOM 2381 CA GLU A 156 -7.119 14.401 7.492 1.00 0.33 C ATOM 2382 C GLU A 156 -7.045 13.588 6.199 1.00 0.28 C ATOM 2383 O GLU A 156 -7.657 13.927 5.176 1.00 0.30 O ATOM 2384 CB GLU A 156 -5.742 14.900 7.971 1.00 0.40 C ATOM 2385 CG GLU A 156 -4.611 14.791 6.965 1.00 1.30 C ATOM 2386 CD GLU A 156 -4.620 15.886 5.920 1.00 1.70 C ATOM 2387 OE1 GLU A 156 -4.112 16.987 6.207 1.00 1.52 O ATOM 2388 OE2 GLU A 156 -5.124 15.649 4.804 1.00 2.48 O ATOM 0 H GLU A 156 -7.070 12.867 8.907 1.00 0.30 H new ATOM 0 HA GLU A 156 -7.742 15.267 7.268 1.00 0.33 H new ATOM 0 HB2 GLU A 156 -5.839 15.944 8.268 1.00 0.40 H new ATOM 0 HB3 GLU A 156 -5.464 14.339 8.863 1.00 0.40 H new ATOM 0 HG2 GLU A 156 -3.660 14.816 7.497 1.00 1.30 H new ATOM 0 HG3 GLU A 156 -4.672 13.824 6.466 1.00 1.30 H new ATOM 2395 N GLY A 157 -6.343 12.480 6.272 1.00 0.29 N ATOM 2396 CA GLY A 157 -6.092 11.699 5.096 1.00 0.28 C ATOM 2397 C GLY A 157 -7.254 10.819 4.686 1.00 0.27 C ATOM 2398 O GLY A 157 -7.231 10.252 3.603 1.00 0.29 O ATOM 0 H GLY A 157 -5.940 12.106 7.131 1.00 0.29 H new ATOM 0 HA2 GLY A 157 -5.848 12.369 4.272 1.00 0.28 H new ATOM 0 HA3 GLY A 157 -5.217 11.072 5.268 1.00 0.28 H new ATOM 2402 N LEU A 158 -8.268 10.688 5.541 1.00 0.26 N ATOM 2403 CA LEU A 158 -9.442 9.909 5.182 1.00 0.28 C ATOM 2404 C LEU A 158 -10.171 10.606 4.053 1.00 0.30 C ATOM 2405 O LEU A 158 -10.704 9.973 3.141 1.00 0.33 O ATOM 2406 CB LEU A 158 -10.368 9.742 6.381 1.00 0.31 C ATOM 2407 CG LEU A 158 -9.873 8.779 7.460 1.00 0.47 C ATOM 2408 CD1 LEU A 158 -10.867 8.719 8.601 1.00 0.73 C ATOM 2409 CD2 LEU A 158 -9.645 7.392 6.874 1.00 0.80 C ATOM 0 H LEU A 158 -8.297 11.105 6.471 1.00 0.26 H new ATOM 0 HA LEU A 158 -9.127 8.917 4.860 1.00 0.28 H new ATOM 0 HB2 LEU A 158 -10.527 10.720 6.835 1.00 0.31 H new ATOM 0 HB3 LEU A 158 -11.338 9.395 6.025 1.00 0.31 H new ATOM 0 HG LEU A 158 -8.922 9.146 7.846 1.00 0.47 H new ATOM 0 HD11 LEU A 158 -10.504 8.030 9.364 1.00 0.73 H new ATOM 0 HD12 LEU A 158 -10.983 9.712 9.035 1.00 0.73 H new ATOM 0 HD13 LEU A 158 -11.830 8.372 8.227 1.00 0.73 H new ATOM 0 HD21 LEU A 158 -9.293 6.720 7.656 1.00 0.80 H new ATOM 0 HD22 LEU A 158 -10.581 7.012 6.463 1.00 0.80 H new ATOM 0 HD23 LEU A 158 -8.898 7.450 6.082 1.00 0.80 H new ATOM 2421 N ASP A 159 -10.166 11.924 4.124 1.00 0.32 N ATOM 2422 CA ASP A 159 -10.729 12.749 3.081 1.00 0.38 C ATOM 2423 C ASP A 159 -9.868 12.674 1.831 1.00 0.32 C ATOM 2424 O ASP A 159 -10.378 12.557 0.721 1.00 0.33 O ATOM 2425 CB ASP A 159 -10.863 14.193 3.565 1.00 0.50 C ATOM 2426 CG ASP A 159 -11.979 14.362 4.578 1.00 1.25 C ATOM 2427 OD1 ASP A 159 -11.846 13.834 5.707 1.00 2.20 O ATOM 2428 OD2 ASP A 159 -12.977 15.037 4.267 1.00 1.42 O ATOM 0 H ASP A 159 -9.772 12.448 4.905 1.00 0.32 H new ATOM 0 HA ASP A 159 -11.724 12.378 2.833 1.00 0.38 H new ATOM 0 HB2 ASP A 159 -9.921 14.513 4.010 1.00 0.50 H new ATOM 0 HB3 ASP A 159 -11.050 14.844 2.711 1.00 0.50 H new ATOM 2433 N HIS A 160 -8.553 12.712 2.014 1.00 0.30 N ATOM 2434 CA HIS A 160 -7.629 12.616 0.889 1.00 0.30 C ATOM 2435 C HIS A 160 -7.658 11.212 0.266 1.00 0.28 C ATOM 2436 O HIS A 160 -7.297 11.033 -0.895 1.00 0.33 O ATOM 2437 CB HIS A 160 -6.206 12.976 1.345 1.00 0.34 C ATOM 2438 CG HIS A 160 -5.178 12.952 0.252 1.00 0.41 C ATOM 2439 ND1 HIS A 160 -4.989 13.992 -0.631 1.00 0.52 N ATOM 2440 CD2 HIS A 160 -4.276 12.005 -0.090 1.00 0.46 C ATOM 2441 CE1 HIS A 160 -4.011 13.688 -1.465 1.00 0.58 C ATOM 2442 NE2 HIS A 160 -3.561 12.487 -1.156 1.00 0.54 N ATOM 0 H HIS A 160 -8.104 12.808 2.925 1.00 0.30 H new ATOM 0 HA HIS A 160 -7.945 13.325 0.124 1.00 0.30 H new ATOM 0 HB2 HIS A 160 -6.221 13.971 1.790 1.00 0.34 H new ATOM 0 HB3 HIS A 160 -5.902 12.281 2.128 1.00 0.34 H new ATOM 0 HD2 HIS A 160 -4.143 11.046 0.388 1.00 0.46 H new ATOM 0 HE1 HIS A 160 -3.643 14.315 -2.263 1.00 0.58 H new ATOM 0 HE2 HIS A 160 -2.804 11.997 -1.633 1.00 0.54 H new ATOM 2451 N LEU A 161 -8.116 10.227 1.033 1.00 0.27 N ATOM 2452 CA LEU A 161 -8.123 8.841 0.577 1.00 0.28 C ATOM 2453 C LEU A 161 -9.230 8.645 -0.448 1.00 0.29 C ATOM 2454 O LEU A 161 -8.996 8.144 -1.548 1.00 0.31 O ATOM 2455 CB LEU A 161 -8.324 7.892 1.770 1.00 0.29 C ATOM 2456 CG LEU A 161 -7.656 6.512 1.661 1.00 0.57 C ATOM 2457 CD1 LEU A 161 -7.938 5.693 2.907 1.00 1.15 C ATOM 2458 CD2 LEU A 161 -8.124 5.761 0.424 1.00 1.16 C ATOM 0 H LEU A 161 -8.487 10.363 1.973 1.00 0.27 H new ATOM 0 HA LEU A 161 -7.164 8.612 0.111 1.00 0.28 H new ATOM 0 HB2 LEU A 161 -7.948 8.385 2.667 1.00 0.29 H new ATOM 0 HB3 LEU A 161 -9.394 7.744 1.913 1.00 0.29 H new ATOM 0 HG LEU A 161 -6.581 6.669 1.570 1.00 0.57 H new ATOM 0 HD11 LEU A 161 -7.459 4.718 2.817 1.00 1.15 H new ATOM 0 HD12 LEU A 161 -7.543 6.212 3.781 1.00 1.15 H new ATOM 0 HD13 LEU A 161 -9.014 5.560 3.019 1.00 1.15 H new ATOM 0 HD21 LEU A 161 -7.631 4.790 0.380 1.00 1.16 H new ATOM 0 HD22 LEU A 161 -9.204 5.618 0.472 1.00 1.16 H new ATOM 0 HD23 LEU A 161 -7.873 6.336 -0.467 1.00 1.16 H new ATOM 2470 N LEU A 162 -10.435 9.071 -0.086 1.00 0.31 N ATOM 2471 CA LEU A 162 -11.586 8.962 -0.965 1.00 0.37 C ATOM 2472 C LEU A 162 -11.358 9.751 -2.255 1.00 0.38 C ATOM 2473 O LEU A 162 -11.899 9.407 -3.303 1.00 0.45 O ATOM 2474 CB LEU A 162 -12.849 9.423 -0.224 1.00 0.47 C ATOM 2475 CG LEU A 162 -12.818 10.833 0.383 1.00 0.85 C ATOM 2476 CD1 LEU A 162 -13.235 11.890 -0.630 1.00 1.49 C ATOM 2477 CD2 LEU A 162 -13.709 10.889 1.610 1.00 1.51 C ATOM 0 H LEU A 162 -10.637 9.498 0.818 1.00 0.31 H new ATOM 0 HA LEU A 162 -11.725 7.919 -1.251 1.00 0.37 H new ATOM 0 HB2 LEU A 162 -13.688 9.370 -0.917 1.00 0.47 H new ATOM 0 HB3 LEU A 162 -13.052 8.712 0.577 1.00 0.47 H new ATOM 0 HG LEU A 162 -11.791 11.051 0.677 1.00 0.85 H new ATOM 0 HD11 LEU A 162 -13.201 12.875 -0.164 1.00 1.49 H new ATOM 0 HD12 LEU A 162 -12.554 11.867 -1.481 1.00 1.49 H new ATOM 0 HD13 LEU A 162 -14.250 11.686 -0.972 1.00 1.49 H new ATOM 0 HD21 LEU A 162 -13.681 11.893 2.034 1.00 1.51 H new ATOM 0 HD22 LEU A 162 -14.733 10.643 1.328 1.00 1.51 H new ATOM 0 HD23 LEU A 162 -13.354 10.172 2.350 1.00 1.51 H new ATOM 2489 N GLU A 163 -10.534 10.796 -2.173 1.00 0.37 N ATOM 2490 CA GLU A 163 -10.147 11.556 -3.357 1.00 0.44 C ATOM 2491 C GLU A 163 -9.338 10.690 -4.316 1.00 0.41 C ATOM 2492 O GLU A 163 -9.610 10.653 -5.515 1.00 0.50 O ATOM 2493 CB GLU A 163 -9.345 12.795 -2.974 1.00 0.56 C ATOM 2494 CG GLU A 163 -10.130 13.794 -2.151 1.00 1.03 C ATOM 2495 CD GLU A 163 -9.370 15.077 -1.921 1.00 1.78 C ATOM 2496 OE1 GLU A 163 -9.416 15.961 -2.806 1.00 2.14 O ATOM 2497 OE2 GLU A 163 -8.739 15.221 -0.857 1.00 2.57 O ATOM 0 H GLU A 163 -10.124 11.133 -1.302 1.00 0.37 H new ATOM 0 HA GLU A 163 -11.061 11.875 -3.858 1.00 0.44 H new ATOM 0 HB2 GLU A 163 -8.463 12.487 -2.412 1.00 0.56 H new ATOM 0 HB3 GLU A 163 -8.991 13.283 -3.882 1.00 0.56 H new ATOM 0 HG2 GLU A 163 -11.070 14.018 -2.656 1.00 1.03 H new ATOM 0 HG3 GLU A 163 -10.384 13.348 -1.189 1.00 1.03 H new ATOM 2504 N MET A 164 -8.347 9.992 -3.783 1.00 0.37 N ATOM 2505 CA MET A 164 -7.552 9.078 -4.589 1.00 0.39 C ATOM 2506 C MET A 164 -8.421 7.948 -5.115 1.00 0.37 C ATOM 2507 O MET A 164 -8.242 7.485 -6.243 1.00 0.43 O ATOM 2508 CB MET A 164 -6.378 8.518 -3.779 1.00 0.43 C ATOM 2509 CG MET A 164 -5.086 9.318 -3.905 1.00 0.64 C ATOM 2510 SD MET A 164 -5.253 11.059 -3.454 1.00 0.58 S ATOM 2511 CE MET A 164 -5.821 11.785 -4.991 1.00 0.53 C ATOM 0 H MET A 164 -8.075 10.040 -2.801 1.00 0.37 H new ATOM 0 HA MET A 164 -7.147 9.631 -5.436 1.00 0.39 H new ATOM 0 HB2 MET A 164 -6.664 8.477 -2.728 1.00 0.43 H new ATOM 0 HB3 MET A 164 -6.189 7.493 -4.098 1.00 0.43 H new ATOM 0 HG2 MET A 164 -4.325 8.861 -3.273 1.00 0.64 H new ATOM 0 HG3 MET A 164 -4.729 9.252 -4.933 1.00 0.64 H new ATOM 0 HE1 MET A 164 -5.345 12.756 -5.133 1.00 0.53 H new ATOM 0 HE2 MET A 164 -5.561 11.129 -5.821 1.00 0.53 H new ATOM 0 HE3 MET A 164 -6.903 11.913 -4.955 1.00 0.53 H new ATOM 2521 N ILE A 165 -9.378 7.525 -4.300 1.00 0.34 N ATOM 2522 CA ILE A 165 -10.314 6.494 -4.705 1.00 0.38 C ATOM 2523 C ILE A 165 -11.139 6.951 -5.907 1.00 0.44 C ATOM 2524 O ILE A 165 -11.261 6.223 -6.887 1.00 0.52 O ATOM 2525 CB ILE A 165 -11.278 6.108 -3.564 1.00 0.40 C ATOM 2526 CG1 ILE A 165 -10.512 5.464 -2.407 1.00 0.42 C ATOM 2527 CG2 ILE A 165 -12.349 5.163 -4.085 1.00 0.50 C ATOM 2528 CD1 ILE A 165 -11.387 5.105 -1.224 1.00 0.50 C ATOM 0 H ILE A 165 -9.524 7.882 -3.356 1.00 0.34 H new ATOM 0 HA ILE A 165 -9.718 5.621 -4.972 1.00 0.38 H new ATOM 0 HB ILE A 165 -11.759 7.013 -3.192 1.00 0.40 H new ATOM 0 HG12 ILE A 165 -10.016 4.563 -2.768 1.00 0.42 H new ATOM 0 HG13 ILE A 165 -9.730 6.147 -2.075 1.00 0.42 H new ATOM 0 HG21 ILE A 165 -13.025 4.896 -3.273 1.00 0.50 H new ATOM 0 HG22 ILE A 165 -12.912 5.653 -4.879 1.00 0.50 H new ATOM 0 HG23 ILE A 165 -11.879 4.261 -4.477 1.00 0.50 H new ATOM 0 HD11 ILE A 165 -10.775 4.653 -0.443 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -11.863 6.006 -0.837 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -12.153 4.397 -1.540 1.00 0.50 H new ATOM 2540 N LEU A 166 -11.699 8.161 -5.836 1.00 0.46 N ATOM 2541 CA LEU A 166 -12.542 8.665 -6.918 1.00 0.57 C ATOM 2542 C LEU A 166 -11.729 8.898 -8.175 1.00 0.61 C ATOM 2543 O LEU A 166 -12.230 8.731 -9.285 1.00 0.70 O ATOM 2544 CB LEU A 166 -13.290 9.951 -6.520 1.00 0.66 C ATOM 2545 CG LEU A 166 -12.446 11.165 -6.105 1.00 1.07 C ATOM 2546 CD1 LEU A 166 -12.009 11.973 -7.318 1.00 1.73 C ATOM 2547 CD2 LEU A 166 -13.222 12.053 -5.147 1.00 1.38 C ATOM 0 H LEU A 166 -11.585 8.802 -5.050 1.00 0.46 H new ATOM 0 HA LEU A 166 -13.290 7.898 -7.120 1.00 0.57 H new ATOM 0 HB2 LEU A 166 -13.917 10.249 -7.361 1.00 0.66 H new ATOM 0 HB3 LEU A 166 -13.959 9.709 -5.694 1.00 0.66 H new ATOM 0 HG LEU A 166 -11.555 10.790 -5.601 1.00 1.07 H new ATOM 0 HD11 LEU A 166 -11.413 12.826 -6.992 1.00 1.73 H new ATOM 0 HD12 LEU A 166 -11.412 11.344 -7.978 1.00 1.73 H new ATOM 0 HD13 LEU A 166 -12.889 12.329 -7.854 1.00 1.73 H new ATOM 0 HD21 LEU A 166 -12.607 12.908 -4.864 1.00 1.38 H new ATOM 0 HD22 LEU A 166 -14.132 12.405 -5.633 1.00 1.38 H new ATOM 0 HD23 LEU A 166 -13.484 11.484 -4.255 1.00 1.38 H new ATOM 2559 N LEU A 167 -10.490 9.308 -7.991 1.00 0.56 N ATOM 2560 CA LEU A 167 -9.549 9.413 -9.094 1.00 0.64 C ATOM 2561 C LEU A 167 -9.482 8.069 -9.818 1.00 0.66 C ATOM 2562 O LEU A 167 -9.649 7.992 -11.038 1.00 0.75 O ATOM 2563 CB LEU A 167 -8.163 9.829 -8.574 1.00 0.64 C ATOM 2564 CG LEU A 167 -7.226 10.486 -9.597 1.00 0.81 C ATOM 2565 CD1 LEU A 167 -6.036 11.118 -8.893 1.00 1.47 C ATOM 2566 CD2 LEU A 167 -6.740 9.481 -10.633 1.00 1.51 C ATOM 0 H LEU A 167 -10.108 9.576 -7.084 1.00 0.56 H new ATOM 0 HA LEU A 167 -9.884 10.178 -9.794 1.00 0.64 H new ATOM 0 HB2 LEU A 167 -8.302 10.520 -7.743 1.00 0.64 H new ATOM 0 HB3 LEU A 167 -7.667 8.945 -8.174 1.00 0.64 H new ATOM 0 HG LEU A 167 -7.792 11.260 -10.115 1.00 0.81 H new ATOM 0 HD11 LEU A 167 -5.380 11.580 -9.631 1.00 1.47 H new ATOM 0 HD12 LEU A 167 -6.388 11.877 -8.194 1.00 1.47 H new ATOM 0 HD13 LEU A 167 -5.486 10.351 -8.348 1.00 1.47 H new ATOM 0 HD21 LEU A 167 -6.079 9.980 -11.342 1.00 1.51 H new ATOM 0 HD22 LEU A 167 -6.198 8.678 -10.134 1.00 1.51 H new ATOM 0 HD23 LEU A 167 -7.595 9.065 -11.166 1.00 1.51 H new ATOM 2578 N VAL A 168 -9.281 7.006 -9.049 1.00 0.61 N ATOM 2579 CA VAL A 168 -9.266 5.667 -9.589 1.00 0.69 C ATOM 2580 C VAL A 168 -10.645 5.286 -10.135 1.00 0.77 C ATOM 2581 O VAL A 168 -10.746 4.671 -11.188 1.00 0.89 O ATOM 2582 CB VAL A 168 -8.823 4.643 -8.528 1.00 0.68 C ATOM 2583 CG1 VAL A 168 -8.819 3.248 -9.110 1.00 0.84 C ATOM 2584 CG2 VAL A 168 -7.447 4.990 -7.978 1.00 0.66 C ATOM 0 H VAL A 168 -9.126 7.055 -8.042 1.00 0.61 H new ATOM 0 HA VAL A 168 -8.545 5.651 -10.406 1.00 0.69 H new ATOM 0 HB VAL A 168 -9.537 4.677 -7.705 1.00 0.68 H new ATOM 0 HG11 VAL A 168 -8.504 2.536 -8.347 1.00 0.84 H new ATOM 0 HG12 VAL A 168 -9.822 2.993 -9.451 1.00 0.84 H new ATOM 0 HG13 VAL A 168 -8.128 3.207 -9.952 1.00 0.84 H new ATOM 0 HG21 VAL A 168 -7.157 4.252 -7.230 1.00 0.66 H new ATOM 0 HG22 VAL A 168 -6.720 4.989 -8.790 1.00 0.66 H new ATOM 0 HG23 VAL A 168 -7.477 5.978 -7.519 1.00 0.66 H new ATOM 2594 N SER A 169 -11.705 5.671 -9.424 1.00 0.74 N ATOM 2595 CA SER A 169 -13.065 5.379 -9.865 1.00 0.87 C ATOM 2596 C SER A 169 -13.362 6.018 -11.223 1.00 0.96 C ATOM 2597 O SER A 169 -14.122 5.475 -12.022 1.00 1.12 O ATOM 2598 CB SER A 169 -14.074 5.874 -8.824 1.00 0.88 C ATOM 2599 OG SER A 169 -13.833 5.283 -7.558 1.00 1.35 O ATOM 0 H SER A 169 -11.647 6.184 -8.544 1.00 0.74 H new ATOM 0 HA SER A 169 -13.156 4.298 -9.973 1.00 0.87 H new ATOM 0 HB2 SER A 169 -14.012 6.959 -8.740 1.00 0.88 H new ATOM 0 HB3 SER A 169 -15.086 5.637 -9.153 1.00 0.88 H new ATOM 0 HG SER A 169 -12.969 5.590 -7.213 1.00 1.35 H new ATOM 2605 N GLU A 170 -12.758 7.168 -11.488 1.00 0.96 N ATOM 2606 CA GLU A 170 -12.983 7.868 -12.740 1.00 1.11 C ATOM 2607 C GLU A 170 -12.147 7.256 -13.864 1.00 1.17 C ATOM 2608 O GLU A 170 -12.608 7.127 -14.998 1.00 1.37 O ATOM 2609 CB GLU A 170 -12.658 9.355 -12.569 1.00 1.26 C ATOM 2610 CG GLU A 170 -13.072 10.218 -13.747 1.00 1.84 C ATOM 2611 CD GLU A 170 -12.851 11.693 -13.487 1.00 2.19 C ATOM 2612 OE1 GLU A 170 -13.697 12.314 -12.805 1.00 2.73 O ATOM 2613 OE2 GLU A 170 -11.837 12.240 -13.962 1.00 2.56 O ATOM 0 H GLU A 170 -12.110 7.633 -10.853 1.00 0.96 H new ATOM 0 HA GLU A 170 -14.033 7.766 -13.014 1.00 1.11 H new ATOM 0 HB2 GLU A 170 -13.153 9.723 -11.670 1.00 1.26 H new ATOM 0 HB3 GLU A 170 -11.585 9.466 -12.410 1.00 1.26 H new ATOM 0 HG2 GLU A 170 -12.507 9.919 -14.630 1.00 1.84 H new ATOM 0 HG3 GLU A 170 -14.125 10.045 -13.969 1.00 1.84 H new ATOM 2620 N MET A 171 -10.926 6.853 -13.533 1.00 1.11 N ATOM 2621 CA MET A 171 -10.007 6.285 -14.518 1.00 1.28 C ATOM 2622 C MET A 171 -10.264 4.789 -14.709 1.00 1.54 C ATOM 2623 O MET A 171 -9.685 4.164 -15.595 1.00 1.88 O ATOM 2624 CB MET A 171 -8.550 6.540 -14.115 1.00 1.31 C ATOM 2625 CG MET A 171 -8.025 5.640 -13.008 1.00 1.43 C ATOM 2626 SD MET A 171 -6.297 5.989 -12.617 1.00 1.66 S ATOM 2627 CE MET A 171 -5.902 4.609 -11.547 1.00 1.68 C ATOM 0 H MET A 171 -10.546 6.908 -12.588 1.00 1.11 H new ATOM 0 HA MET A 171 -10.188 6.782 -15.471 1.00 1.28 H new ATOM 0 HB2 MET A 171 -7.918 6.416 -14.994 1.00 1.31 H new ATOM 0 HB3 MET A 171 -8.453 7.578 -13.796 1.00 1.31 H new ATOM 0 HG2 MET A 171 -8.633 5.773 -12.113 1.00 1.43 H new ATOM 0 HG3 MET A 171 -8.125 4.597 -13.310 1.00 1.43 H new ATOM 0 HE1 MET A 171 -5.465 4.981 -10.620 1.00 1.68 H new ATOM 0 HE2 MET A 171 -6.811 4.051 -11.322 1.00 1.68 H new ATOM 0 HE3 MET A 171 -5.189 3.954 -12.047 1.00 1.68 H new ATOM 2637 N GLU A 172 -11.135 4.246 -13.851 1.00 1.62 N ATOM 2638 CA GLU A 172 -11.490 2.817 -13.800 1.00 2.07 C ATOM 2639 C GLU A 172 -11.534 2.131 -15.175 1.00 2.05 C ATOM 2640 O GLU A 172 -11.098 0.988 -15.312 1.00 2.58 O ATOM 2641 CB GLU A 172 -12.859 2.674 -13.117 1.00 2.47 C ATOM 2642 CG GLU A 172 -13.430 1.261 -13.133 1.00 3.01 C ATOM 2643 CD GLU A 172 -14.866 1.204 -12.643 1.00 3.71 C ATOM 2644 OE1 GLU A 172 -15.739 1.848 -13.270 1.00 4.27 O ATOM 2645 OE2 GLU A 172 -15.142 0.510 -11.644 1.00 4.04 O ATOM 0 H GLU A 172 -11.628 4.801 -13.152 1.00 1.62 H new ATOM 0 HA GLU A 172 -10.702 2.317 -13.237 1.00 2.07 H new ATOM 0 HB2 GLU A 172 -12.771 3.005 -12.082 1.00 2.47 H new ATOM 0 HB3 GLU A 172 -13.566 3.344 -13.606 1.00 2.47 H new ATOM 0 HG2 GLU A 172 -13.380 0.865 -14.147 1.00 3.01 H new ATOM 0 HG3 GLU A 172 -12.811 0.616 -12.509 1.00 3.01 H new ATOM 2652 N GLU A 173 -12.056 2.824 -16.180 1.00 1.85 N ATOM 2653 CA GLU A 173 -12.273 2.215 -17.488 1.00 2.28 C ATOM 2654 C GLU A 173 -10.958 1.858 -18.187 1.00 2.77 C ATOM 2655 O GLU A 173 -10.609 0.682 -18.286 1.00 3.47 O ATOM 2656 CB GLU A 173 -13.107 3.135 -18.374 1.00 2.50 C ATOM 2657 CG GLU A 173 -14.426 3.548 -17.747 1.00 2.86 C ATOM 2658 CD GLU A 173 -15.283 4.363 -18.686 1.00 3.41 C ATOM 2659 OE1 GLU A 173 -14.928 5.526 -18.961 1.00 3.91 O ATOM 2660 OE2 GLU A 173 -16.320 3.852 -19.153 1.00 3.82 O ATOM 0 H GLU A 173 -12.336 3.803 -16.116 1.00 1.85 H new ATOM 0 HA GLU A 173 -12.817 1.285 -17.322 1.00 2.28 H new ATOM 0 HB2 GLU A 173 -12.527 4.029 -18.603 1.00 2.50 H new ATOM 0 HB3 GLU A 173 -13.306 2.633 -19.321 1.00 2.50 H new ATOM 0 HG2 GLU A 173 -14.974 2.657 -17.441 1.00 2.86 H new ATOM 0 HG3 GLU A 173 -14.230 4.127 -16.844 1.00 2.86 H new ATOM 2667 N LEU A 174 -10.228 2.858 -18.676 1.00 2.83 N ATOM 2668 CA LEU A 174 -9.020 2.590 -19.450 1.00 3.69 C ATOM 2669 C LEU A 174 -7.831 3.402 -18.949 1.00 3.89 C ATOM 2670 O LEU A 174 -6.679 3.061 -19.233 1.00 4.73 O ATOM 2671 CB LEU A 174 -9.257 2.909 -20.930 1.00 4.31 C ATOM 2672 CG LEU A 174 -10.326 2.063 -21.623 1.00 4.98 C ATOM 2673 CD1 LEU A 174 -10.536 2.538 -23.052 1.00 5.48 C ATOM 2674 CD2 LEU A 174 -9.932 0.593 -21.607 1.00 5.72 C ATOM 0 H LEU A 174 -10.448 3.846 -18.553 1.00 2.83 H new ATOM 0 HA LEU A 174 -8.788 1.532 -19.328 1.00 3.69 H new ATOM 0 HB2 LEU A 174 -9.537 3.959 -21.017 1.00 4.31 H new ATOM 0 HB3 LEU A 174 -8.316 2.784 -21.466 1.00 4.31 H new ATOM 0 HG LEU A 174 -11.263 2.178 -21.079 1.00 4.98 H new ATOM 0 HD11 LEU A 174 -11.300 1.925 -23.531 1.00 5.48 H new ATOM 0 HD12 LEU A 174 -10.858 3.579 -23.046 1.00 5.48 H new ATOM 0 HD13 LEU A 174 -9.601 2.450 -23.606 1.00 5.48 H new ATOM 0 HD21 LEU A 174 -10.703 0.004 -22.104 1.00 5.72 H new ATOM 0 HD22 LEU A 174 -8.984 0.465 -22.130 1.00 5.72 H new ATOM 0 HD23 LEU A 174 -9.826 0.256 -20.576 1.00 5.72 H new ATOM 2686 N LYS A 175 -8.101 4.474 -18.217 1.00 3.42 N ATOM 2687 CA LYS A 175 -7.057 5.408 -17.840 1.00 3.88 C ATOM 2688 C LYS A 175 -6.093 4.818 -16.818 1.00 4.00 C ATOM 2689 O LYS A 175 -6.492 4.320 -15.767 1.00 4.36 O ATOM 2690 CB LYS A 175 -7.665 6.694 -17.295 1.00 4.27 C ATOM 2691 CG LYS A 175 -8.715 7.303 -18.205 1.00 4.29 C ATOM 2692 CD LYS A 175 -8.248 7.351 -19.649 1.00 4.24 C ATOM 2693 CE LYS A 175 -9.083 8.314 -20.474 1.00 4.99 C ATOM 2694 NZ LYS A 175 -8.908 9.723 -20.032 1.00 5.49 N ATOM 0 H LYS A 175 -9.031 4.715 -17.875 1.00 3.42 H new ATOM 0 HA LYS A 175 -6.486 5.627 -18.742 1.00 3.88 H new ATOM 0 HB2 LYS A 175 -8.113 6.490 -16.322 1.00 4.27 H new ATOM 0 HB3 LYS A 175 -6.870 7.422 -17.134 1.00 4.27 H new ATOM 0 HG2 LYS A 175 -9.635 6.722 -18.139 1.00 4.29 H new ATOM 0 HG3 LYS A 175 -8.950 8.312 -17.865 1.00 4.29 H new ATOM 0 HD2 LYS A 175 -7.201 7.654 -19.684 1.00 4.24 H new ATOM 0 HD3 LYS A 175 -8.306 6.353 -20.084 1.00 4.24 H new ATOM 0 HE2 LYS A 175 -8.805 8.226 -21.524 1.00 4.99 H new ATOM 0 HE3 LYS A 175 -10.135 8.038 -20.398 1.00 4.99 H new ATOM 0 HZ1 LYS A 175 -9.171 10.365 -20.807 1.00 5.49 H new ATOM 0 HZ2 LYS A 175 -9.516 9.907 -19.209 1.00 5.49 H new ATOM 0 HZ3 LYS A 175 -7.914 9.884 -19.771 1.00 5.49 H new ATOM 2708 N ALA A 176 -4.821 4.884 -17.164 1.00 4.26 N ATOM 2709 CA ALA A 176 -3.733 4.489 -16.289 1.00 4.89 C ATOM 2710 C ALA A 176 -2.459 5.127 -16.811 1.00 5.36 C ATOM 2711 O ALA A 176 -1.705 5.758 -16.071 1.00 5.78 O ATOM 2712 CB ALA A 176 -3.595 2.976 -16.231 1.00 5.48 C ATOM 0 H ALA A 176 -4.510 5.219 -18.076 1.00 4.26 H new ATOM 0 HA ALA A 176 -3.935 4.827 -15.273 1.00 4.89 H new ATOM 0 HB1 ALA A 176 -2.772 2.711 -15.568 1.00 5.48 H new ATOM 0 HB2 ALA A 176 -4.520 2.540 -15.853 1.00 5.48 H new ATOM 0 HB3 ALA A 176 -3.394 2.590 -17.231 1.00 5.48 H new ATOM 2718 N ASN A 177 -2.241 4.965 -18.111 1.00 5.66 N ATOM 2719 CA ASN A 177 -1.169 5.663 -18.806 1.00 6.40 C ATOM 2720 C ASN A 177 -1.688 6.974 -19.412 1.00 6.79 C ATOM 2721 O ASN A 177 -1.137 8.040 -19.132 1.00 6.94 O ATOM 2722 CB ASN A 177 -0.534 4.778 -19.889 1.00 6.79 C ATOM 2723 CG ASN A 177 0.347 3.679 -19.322 1.00 7.41 C ATOM 2724 OD1 ASN A 177 0.143 3.208 -18.204 1.00 7.72 O ATOM 2725 ND2 ASN A 177 1.331 3.257 -20.098 1.00 7.88 N ATOM 0 H ASN A 177 -2.797 4.352 -18.707 1.00 5.66 H new ATOM 0 HA ASN A 177 -0.394 5.899 -18.076 1.00 6.40 H new ATOM 0 HB2 ASN A 177 -1.324 4.328 -20.490 1.00 6.79 H new ATOM 0 HB3 ASN A 177 0.059 5.402 -20.557 1.00 6.79 H new ATOM 0 HD21 ASN A 177 1.953 2.516 -19.775 1.00 7.88 H new ATOM 0 HD22 ASN A 177 1.468 3.673 -21.019 1.00 7.88 H new ATOM 2732 N PRO A 178 -2.753 6.930 -20.250 1.00 7.29 N ATOM 2733 CA PRO A 178 -3.378 8.147 -20.778 1.00 8.00 C ATOM 2734 C PRO A 178 -4.090 8.942 -19.683 1.00 8.71 C ATOM 2735 O PRO A 178 -5.271 8.646 -19.397 1.00 9.19 O ATOM 2736 CB PRO A 178 -4.383 7.627 -21.813 1.00 8.54 C ATOM 2737 CG PRO A 178 -4.677 6.231 -21.389 1.00 8.16 C ATOM 2738 CD PRO A 178 -3.409 5.718 -20.773 1.00 7.54 C ATOM 2739 OXT PRO A 178 -3.467 9.855 -19.108 1.00 9.00 O ATOM 0 HA PRO A 178 -2.644 8.833 -21.202 1.00 8.00 H new ATOM 0 HB2 PRO A 178 -5.287 8.235 -21.826 1.00 8.54 H new ATOM 0 HB3 PRO A 178 -3.965 7.655 -22.819 1.00 8.54 H new ATOM 0 HG2 PRO A 178 -5.499 6.204 -20.673 1.00 8.16 H new ATOM 0 HG3 PRO A 178 -4.975 5.618 -22.240 1.00 8.16 H new ATOM 0 HD2 PRO A 178 -3.613 5.000 -19.979 1.00 7.54 H new ATOM 0 HD3 PRO A 178 -2.784 5.211 -21.508 1.00 7.54 H new TER 2747 PRO A 178 HETATM 2748 PB GDP A 179 -8.754 -3.245 15.263 1.00 0.68 P HETATM 2749 O1B GDP A 179 -8.576 -4.641 15.764 1.00 1.61 O HETATM 2750 O2B GDP A 179 -10.051 -3.033 14.498 1.00 1.63 O HETATM 2751 O3B GDP A 179 -7.519 -2.635 14.568 1.00 1.65 O HETATM 2752 O3A GDP A 179 -8.946 -2.335 16.648 1.00 0.68 O HETATM 2753 PA GDP A 179 -9.804 -1.048 16.904 1.00 0.75 P HETATM 2754 O1A GDP A 179 -10.360 -1.024 18.278 1.00 0.87 O HETATM 2755 O2A GDP A 179 -10.748 -0.738 15.765 1.00 0.88 O HETATM 2756 O5' GDP A 179 -8.661 0.083 16.817 1.00 0.69 O HETATM 2757 C5' GDP A 179 -7.412 -0.106 17.477 1.00 0.65 C HETATM 2758 C4' GDP A 179 -6.758 1.223 17.777 1.00 0.66 C HETATM 2759 O4' GDP A 179 -6.315 1.831 16.544 1.00 0.63 O HETATM 2760 C3' GDP A 179 -7.656 2.286 18.403 1.00 0.75 C HETATM 2761 O3' GDP A 179 -7.572 2.240 19.822 1.00 0.96 O HETATM 2762 C2' GDP A 179 -7.131 3.617 17.849 1.00 0.75 C HETATM 2763 O2' GDP A 179 -6.507 4.392 18.855 1.00 0.95 O HETATM 2764 C1' GDP A 179 -6.077 3.191 16.825 1.00 0.62 C HETATM 2765 N9 GDP A 179 -6.120 3.945 15.576 1.00 0.55 N HETATM 2766 C8 GDP A 179 -6.924 3.705 14.491 1.00 0.62 C HETATM 2767 N7 GDP A 179 -6.728 4.538 13.506 1.00 0.61 N HETATM 2768 C5 GDP A 179 -5.731 5.386 13.969 1.00 0.49 C HETATM 2769 C6 GDP A 179 -5.099 6.492 13.340 1.00 0.45 C HETATM 2770 O6 GDP A 179 -5.292 6.951 12.208 1.00 0.55 O HETATM 2771 N1 GDP A 179 -4.136 7.075 14.160 1.00 0.37 N HETATM 2772 C2 GDP A 179 -3.831 6.640 15.429 1.00 0.40 C HETATM 2773 N2 GDP A 179 -2.880 7.329 16.076 1.00 0.46 N HETATM 2774 N3 GDP A 179 -4.411 5.614 16.027 1.00 0.45 N HETATM 2775 C4 GDP A 179 -5.346 5.034 15.245 1.00 0.46 C HETATM 0 HO3' GDP A 179 -8.153 2.929 20.207 1.00 0.96 H new HETATM 0 HO2' GDP A 179 -6.512 3.896 19.700 1.00 0.95 H new HETATM 0 HN22 GDP A 179 -2.607 7.058 17.021 1.00 0.46 H new HETATM 0 HN21 GDP A 179 -2.429 8.124 15.624 1.00 0.46 H new HETATM 0 H5'' GDP A 179 -7.565 -0.659 18.404 1.00 0.65 H new HETATM 0 HN1 GDP A 179 -3.623 7.878 13.796 1.00 0.37 H new HETATM 0 H8 GDP A 179 -7.655 2.897 14.455 1.00 0.62 H new HETATM 0 H5' GDP A 179 -6.753 -0.708 16.852 1.00 0.65 H new HETATM 0 H4' GDP A 179 -5.971 0.961 18.484 1.00 0.66 H new HETATM 0 H3' GDP A 179 -8.709 2.139 18.162 1.00 0.75 H new HETATM 0 H2' GDP A 179 -7.935 4.228 17.438 1.00 0.75 H new HETATM 0 H1' GDP A 179 -5.093 3.380 17.253 1.00 0.62 H new