USER MOD reduce.3.24.130724 H: found=0, std=0, add=1396, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1394 hydrogens (12 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 175 LYS NZ :NH3+ -109:sc= 0.0478 (180deg=-0.0657) USER MOD Set 1.2: A 177 ASN : amide:sc= -2.65! C(o=-2.6!,f=-11!) USER MOD Set 2.1: A 151 SER OG : rot -168:sc= 1.15 USER MOD Set 2.2: A 154 THR OG1 : rot 180:sc= -3.71! USER MOD Set 3.1: A 104 LYS NZ :NH3+ -172:sc= 1.9 (180deg=1.1) USER MOD Set 3.2: A 135 ASN : amide:sc= 0.63 K(o=2.5,f=-11!) USER MOD Set 4.1: A 32 LYS NZ :NH3+ 178:sc= 0.947 (180deg=0.833) USER MOD Set 4.2: A 34 THR OG1 : rot -76:sc= -3.83! USER MOD Set 4.3: A 51 THR OG1 : rot -40:sc= -0.0146 USER MOD Set 5.1: A 31 SER OG : rot 75:sc= 1.37 USER MOD Set 5.2: A 155 LYS NZ :NH3+ -115:sc= -0.218 (180deg=-0.917) USER MOD Set 6.1: A 16 HIS : no HD1:sc= -6.04 X(o=-16,f=-16!) USER MOD Set 6.2: A 19 HIS : no HD1:sc= -5.75! C(o=-16!,f=-29!) USER MOD Set 6.3: A 96 THR OG1 : rot -160:sc= -3.94! USER MOD Set 7.1: A 14 MET CE :methyl 145:sc= -2.8! (180deg=-3.99!) USER MOD Set 7.2: A 102 HIS : +bothHN:sc= -6.84! C(o=-9.6!,f=-16!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 143:sc= -0.193 (180deg=-0.749) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 144:sc= 1.26 (180deg=0.712) USER MOD Single : A 22 THR OG1 : rot 77:sc= 0.383 USER MOD Single : A 23 THR OG1 : rot -81:sc= -0.214 USER MOD Single : A 30 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.17) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.108 K(o=-0.11,f=-1) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 130:sc= -1.78 USER MOD Single : A 49 GLN : amide:sc=-0.00203 K(o=-0.002,f=-1) USER MOD Single : A 53 ASN : amide:sc= -2.49! C(o=-2.5!,f=-17!) USER MOD Single : A 55 LYS NZ :NH3+ 136:sc= -0.312 (180deg=-0.549) USER MOD Single : A 56 LYS NZ :NH3+ -172:sc= -0.0054 (180deg=-0.0603) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 140:sc= -0.678 USER MOD Single : A 65 HIS : no HD1:sc= -0.267 X(o=-0.27,f=-0.087) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 170:sc= 0 USER MOD Single : A 71 MET CE :methyl -178:sc= -0.507 (180deg=-0.512) USER MOD Single : A 77 GLN : amide:sc= -2.77! C(o=-2.8!,f=-4.2!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -121:sc= 0 (180deg=-0.183) USER MOD Single : A 95 GLN :FLIP amide:sc= -1.12 F(o=-2.6!,f=-1.1) USER MOD Single : A 101 ASN : amide:sc= -0.0784 K(o=-0.078,f=-1.3!) USER MOD Single : A 107 ASN : amide:sc= -0.199 K(o=-0.2,f=-2.2!) USER MOD Single : A 115 ASN : amide:sc= -5.05! C(o=-5!,f=-8.4!) USER MOD Single : A 116 LYS NZ :NH3+ -156:sc= 0.545 (180deg=0.318) USER MOD Single : A 117 MET CE :methyl -163:sc= -8.24! (180deg=-9.67!) USER MOD Single : A 119 LYS NZ :NH3+ -174:sc= 1.07 (180deg=0.904) USER MOD Single : A 123 ASN :FLIP amide:sc= -0.151 F(o=-1.4,f=-0.15) USER MOD Single : A 128 MET CE :methyl 136:sc= -3.14 (180deg=-6.96!) USER MOD Single : A 129 GLN : amide:sc= 0.954 K(o=0.95,f=0) USER MOD Single : A 132 MET CE :methyl -159:sc= -0.553 (180deg=-1.85!) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 THR OG1 : rot -13:sc= -1.38! USER MOD Single : A 148 CYS SG : rot 160:sc= -1.45 USER MOD Single : A 149 LYS NZ :NH3+ -150:sc= 1.14 (180deg=0.484) USER MOD Single : A 153 LYS NZ :NH3+ 170:sc= 0.789 (180deg=0.722) USER MOD Single : A 160 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 164 MET CE :methyl -109:sc= -1.88! (180deg=-4.72!) USER MOD Single : A 169 SER OG : rot 26:sc= 0.907 USER MOD Single : A 171 MET CE :methyl -138:sc= -0.896 (180deg=-1.29) USER MOD Single : A 179 GDP O2' : rot 31:sc= 0.228 USER MOD Single : A 179 GDP O3' : rot -178:sc= 0.181 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -32.673 3.469 -3.848 1.00 11.58 N ATOM 2 CA GLY A 1 -31.946 3.557 -5.135 1.00 11.11 C ATOM 3 C GLY A 1 -31.879 2.218 -5.835 1.00 10.21 C ATOM 4 O GLY A 1 -31.121 1.339 -5.431 1.00 9.82 O ATOM 0 H1 GLY A 1 -32.698 4.406 -3.398 1.00 11.58 H new ATOM 0 H2 GLY A 1 -33.645 3.142 -4.020 1.00 11.58 H new ATOM 0 H3 GLY A 1 -32.188 2.797 -3.220 1.00 11.58 H new ATOM 0 HA2 GLY A 1 -32.440 4.281 -5.783 1.00 11.11 H new ATOM 0 HA3 GLY A 1 -30.936 3.925 -4.957 1.00 11.11 H new ATOM 10 N SER A 2 -32.687 2.053 -6.873 1.00 10.08 N ATOM 11 CA SER A 2 -32.716 0.803 -7.619 1.00 9.47 C ATOM 12 C SER A 2 -31.889 0.908 -8.896 1.00 8.68 C ATOM 13 O SER A 2 -31.818 -0.033 -9.683 1.00 8.69 O ATOM 14 CB SER A 2 -34.160 0.425 -7.950 1.00 9.96 C ATOM 15 OG SER A 2 -34.832 1.493 -8.598 1.00 10.61 O ATOM 0 H SER A 2 -33.329 2.767 -7.217 1.00 10.08 H new ATOM 0 HA SER A 2 -32.277 0.022 -6.998 1.00 9.47 H new ATOM 0 HB2 SER A 2 -34.171 -0.457 -8.590 1.00 9.96 H new ATOM 0 HB3 SER A 2 -34.689 0.161 -7.034 1.00 9.96 H new ATOM 0 HG SER A 2 -35.753 1.225 -8.800 1.00 10.61 H new ATOM 21 N HIS A 3 -31.256 2.058 -9.093 1.00 8.25 N ATOM 22 CA HIS A 3 -30.449 2.283 -10.286 1.00 7.71 C ATOM 23 C HIS A 3 -29.031 1.785 -10.059 1.00 6.90 C ATOM 24 O HIS A 3 -28.178 2.515 -9.558 1.00 6.93 O ATOM 25 CB HIS A 3 -30.426 3.770 -10.668 1.00 8.30 C ATOM 26 CG HIS A 3 -31.762 4.321 -11.061 1.00 8.89 C ATOM 27 ND1 HIS A 3 -32.117 5.639 -10.877 1.00 9.51 N ATOM 28 CD2 HIS A 3 -32.832 3.725 -11.638 1.00 9.23 C ATOM 29 CE1 HIS A 3 -33.346 5.827 -11.317 1.00 10.14 C ATOM 30 NE2 HIS A 3 -33.804 4.682 -11.784 1.00 9.99 N ATOM 0 H HIS A 3 -31.285 2.846 -8.446 1.00 8.25 H new ATOM 0 HA HIS A 3 -30.900 1.727 -11.108 1.00 7.71 H new ATOM 0 HB2 HIS A 3 -30.042 4.345 -9.825 1.00 8.30 H new ATOM 0 HB3 HIS A 3 -29.729 3.911 -11.494 1.00 8.30 H new ATOM 0 HD2 HIS A 3 -32.907 2.688 -11.929 1.00 9.23 H new ATOM 0 HE1 HIS A 3 -33.887 6.762 -11.298 1.00 10.14 H new ATOM 0 HE2 HIS A 3 -34.729 4.532 -12.187 1.00 9.99 H new ATOM 39 N MET A 4 -28.797 0.530 -10.413 1.00 6.50 N ATOM 40 CA MET A 4 -27.480 -0.071 -10.269 1.00 6.05 C ATOM 41 C MET A 4 -26.762 -0.066 -11.618 1.00 5.19 C ATOM 42 O MET A 4 -26.289 -1.097 -12.095 1.00 5.17 O ATOM 43 CB MET A 4 -27.610 -1.503 -9.732 1.00 6.67 C ATOM 44 CG MET A 4 -26.290 -2.128 -9.296 1.00 7.26 C ATOM 45 SD MET A 4 -25.552 -1.290 -7.872 1.00 8.18 S ATOM 46 CE MET A 4 -26.832 -1.518 -6.642 1.00 8.77 C ATOM 0 H MET A 4 -29.504 -0.093 -10.803 1.00 6.50 H new ATOM 0 HA MET A 4 -26.894 0.511 -9.557 1.00 6.05 H new ATOM 0 HB2 MET A 4 -28.296 -1.501 -8.885 1.00 6.67 H new ATOM 0 HB3 MET A 4 -28.059 -2.129 -10.503 1.00 6.67 H new ATOM 0 HG2 MET A 4 -26.454 -3.177 -9.049 1.00 7.26 H new ATOM 0 HG3 MET A 4 -25.589 -2.103 -10.130 1.00 7.26 H new ATOM 0 HE1 MET A 4 -26.374 -1.688 -5.668 1.00 8.77 H new ATOM 0 HE2 MET A 4 -27.458 -0.626 -6.598 1.00 8.77 H new ATOM 0 HE3 MET A 4 -27.445 -2.379 -6.910 1.00 8.77 H new ATOM 56 N VAL A 5 -26.711 1.101 -12.246 1.00 4.89 N ATOM 57 CA VAL A 5 -26.038 1.244 -13.526 1.00 4.47 C ATOM 58 C VAL A 5 -24.543 1.426 -13.304 1.00 4.02 C ATOM 59 O VAL A 5 -23.718 0.792 -13.967 1.00 4.26 O ATOM 60 CB VAL A 5 -26.586 2.439 -14.333 1.00 5.11 C ATOM 61 CG1 VAL A 5 -25.956 2.492 -15.718 1.00 5.46 C ATOM 62 CG2 VAL A 5 -28.100 2.368 -14.437 1.00 5.74 C ATOM 0 H VAL A 5 -27.128 1.961 -11.889 1.00 4.89 H new ATOM 0 HA VAL A 5 -26.225 0.336 -14.100 1.00 4.47 H new ATOM 0 HB VAL A 5 -26.321 3.354 -13.804 1.00 5.11 H new ATOM 0 HG11 VAL A 5 -26.358 3.343 -16.268 1.00 5.46 H new ATOM 0 HG12 VAL A 5 -24.876 2.599 -15.622 1.00 5.46 H new ATOM 0 HG13 VAL A 5 -26.183 1.572 -16.256 1.00 5.46 H new ATOM 0 HG21 VAL A 5 -28.466 3.220 -15.010 1.00 5.74 H new ATOM 0 HG22 VAL A 5 -28.387 1.444 -14.938 1.00 5.74 H new ATOM 0 HG23 VAL A 5 -28.535 2.389 -13.438 1.00 5.74 H new ATOM 72 N GLU A 6 -24.209 2.286 -12.353 1.00 3.71 N ATOM 73 CA GLU A 6 -22.822 2.533 -11.999 1.00 3.56 C ATOM 74 C GLU A 6 -22.330 1.444 -11.054 1.00 3.07 C ATOM 75 O GLU A 6 -23.110 0.886 -10.279 1.00 3.23 O ATOM 76 CB GLU A 6 -22.676 3.902 -11.331 1.00 4.14 C ATOM 77 CG GLU A 6 -23.263 5.051 -12.140 1.00 4.54 C ATOM 78 CD GLU A 6 -22.654 5.169 -13.522 1.00 5.11 C ATOM 79 OE1 GLU A 6 -21.536 5.715 -13.641 1.00 5.70 O ATOM 80 OE2 GLU A 6 -23.279 4.704 -14.498 1.00 5.29 O ATOM 0 H GLU A 6 -24.884 2.826 -11.811 1.00 3.71 H new ATOM 0 HA GLU A 6 -22.222 2.522 -12.909 1.00 3.56 H new ATOM 0 HB2 GLU A 6 -23.161 3.873 -10.356 1.00 4.14 H new ATOM 0 HB3 GLU A 6 -21.618 4.098 -11.155 1.00 4.14 H new ATOM 0 HG2 GLU A 6 -24.340 4.910 -12.234 1.00 4.54 H new ATOM 0 HG3 GLU A 6 -23.109 5.985 -11.600 1.00 4.54 H new ATOM 87 N ARG A 7 -21.045 1.142 -11.115 1.00 2.85 N ATOM 88 CA ARG A 7 -20.480 0.083 -10.294 1.00 2.62 C ATOM 89 C ARG A 7 -19.826 0.651 -9.041 1.00 2.19 C ATOM 90 O ARG A 7 -18.906 1.459 -9.130 1.00 2.44 O ATOM 91 CB ARG A 7 -19.460 -0.726 -11.098 1.00 3.27 C ATOM 92 CG ARG A 7 -18.760 -1.811 -10.294 1.00 3.86 C ATOM 93 CD ARG A 7 -17.838 -2.644 -11.167 1.00 4.69 C ATOM 94 NE ARG A 7 -16.841 -1.829 -11.860 1.00 5.27 N ATOM 95 CZ ARG A 7 -16.025 -2.290 -12.805 1.00 6.08 C ATOM 96 NH1 ARG A 7 -16.050 -3.570 -13.155 1.00 6.40 N ATOM 97 NH2 ARG A 7 -15.178 -1.465 -13.399 1.00 6.85 N ATOM 0 H ARG A 7 -20.374 1.613 -11.722 1.00 2.85 H new ATOM 0 HA ARG A 7 -21.293 -0.575 -9.987 1.00 2.62 H new ATOM 0 HB2 ARG A 7 -19.965 -1.186 -11.948 1.00 3.27 H new ATOM 0 HB3 ARG A 7 -18.710 -0.046 -11.502 1.00 3.27 H new ATOM 0 HG2 ARG A 7 -18.185 -1.354 -9.488 1.00 3.86 H new ATOM 0 HG3 ARG A 7 -19.504 -2.457 -9.828 1.00 3.86 H new ATOM 0 HD2 ARG A 7 -17.332 -3.387 -10.551 1.00 4.69 H new ATOM 0 HD3 ARG A 7 -18.431 -3.189 -11.901 1.00 4.69 H new ATOM 0 HE ARG A 7 -16.766 -0.845 -11.603 1.00 5.27 H new ATOM 0 HH11 ARG A 7 -16.699 -4.211 -12.699 1.00 6.40 H new ATOM 0 HH12 ARG A 7 -15.420 -3.913 -13.881 1.00 6.40 H new ATOM 0 HH21 ARG A 7 -15.153 -0.481 -13.132 1.00 6.85 H new ATOM 0 HH22 ARG A 7 -14.550 -1.813 -14.124 1.00 6.85 H new ATOM 111 N PRO A 8 -20.318 0.252 -7.859 1.00 2.01 N ATOM 112 CA PRO A 8 -19.718 0.611 -6.579 1.00 2.04 C ATOM 113 C PRO A 8 -18.573 -0.334 -6.214 1.00 1.71 C ATOM 114 O PRO A 8 -18.813 -1.470 -5.794 1.00 1.69 O ATOM 115 CB PRO A 8 -20.876 0.456 -5.578 1.00 2.57 C ATOM 116 CG PRO A 8 -22.054 -0.041 -6.364 1.00 2.80 C ATOM 117 CD PRO A 8 -21.513 -0.569 -7.665 1.00 2.42 C ATOM 0 HA PRO A 8 -19.287 1.612 -6.591 1.00 2.04 H new ATOM 0 HB2 PRO A 8 -20.613 -0.246 -4.787 1.00 2.57 H new ATOM 0 HB3 PRO A 8 -21.104 1.408 -5.097 1.00 2.57 H new ATOM 0 HG2 PRO A 8 -22.581 -0.823 -5.818 1.00 2.80 H new ATOM 0 HG3 PRO A 8 -22.769 0.763 -6.540 1.00 2.80 H new ATOM 0 HD2 PRO A 8 -21.272 -1.630 -7.605 1.00 2.42 H new ATOM 0 HD3 PRO A 8 -22.226 -0.449 -8.481 1.00 2.42 H new ATOM 125 N PRO A 9 -17.317 0.126 -6.373 1.00 1.83 N ATOM 126 CA PRO A 9 -16.124 -0.701 -6.137 1.00 1.84 C ATOM 127 C PRO A 9 -16.080 -1.301 -4.734 1.00 1.40 C ATOM 128 O PRO A 9 -16.311 -0.606 -3.733 1.00 1.72 O ATOM 129 CB PRO A 9 -14.959 0.277 -6.332 1.00 2.47 C ATOM 130 CG PRO A 9 -15.513 1.368 -7.181 1.00 2.76 C ATOM 131 CD PRO A 9 -16.958 1.492 -6.793 1.00 2.36 C ATOM 0 HA PRO A 9 -16.100 -1.559 -6.809 1.00 1.84 H new ATOM 0 HB2 PRO A 9 -14.602 0.662 -5.377 1.00 2.47 H new ATOM 0 HB3 PRO A 9 -14.112 -0.209 -6.816 1.00 2.47 H new ATOM 0 HG2 PRO A 9 -14.981 2.304 -7.012 1.00 2.76 H new ATOM 0 HG3 PRO A 9 -15.411 1.130 -8.240 1.00 2.76 H new ATOM 0 HD2 PRO A 9 -17.097 2.210 -5.985 1.00 2.36 H new ATOM 0 HD3 PRO A 9 -17.571 1.830 -7.629 1.00 2.36 H new ATOM 139 N VAL A 10 -15.781 -2.590 -4.674 1.00 1.18 N ATOM 140 CA VAL A 10 -15.683 -3.306 -3.413 1.00 0.94 C ATOM 141 C VAL A 10 -14.304 -3.085 -2.796 1.00 0.94 C ATOM 142 O VAL A 10 -13.413 -3.928 -2.898 1.00 1.76 O ATOM 143 CB VAL A 10 -15.931 -4.823 -3.609 1.00 1.25 C ATOM 144 CG1 VAL A 10 -15.937 -5.553 -2.274 1.00 1.90 C ATOM 145 CG2 VAL A 10 -17.236 -5.062 -4.355 1.00 2.00 C ATOM 0 H VAL A 10 -15.600 -3.167 -5.496 1.00 1.18 H new ATOM 0 HA VAL A 10 -16.450 -2.918 -2.743 1.00 0.94 H new ATOM 0 HB VAL A 10 -15.113 -5.222 -4.208 1.00 1.25 H new ATOM 0 HG11 VAL A 10 -16.113 -6.616 -2.441 1.00 1.90 H new ATOM 0 HG12 VAL A 10 -14.974 -5.418 -1.781 1.00 1.90 H new ATOM 0 HG13 VAL A 10 -16.728 -5.149 -1.642 1.00 1.90 H new ATOM 0 HG21 VAL A 10 -17.391 -6.133 -4.482 1.00 2.00 H new ATOM 0 HG22 VAL A 10 -18.064 -4.641 -3.785 1.00 2.00 H new ATOM 0 HG23 VAL A 10 -17.189 -4.584 -5.333 1.00 2.00 H new ATOM 155 N VAL A 11 -14.129 -1.929 -2.174 1.00 0.62 N ATOM 156 CA VAL A 11 -12.864 -1.587 -1.548 1.00 0.61 C ATOM 157 C VAL A 11 -12.694 -2.344 -0.236 1.00 0.62 C ATOM 158 O VAL A 11 -13.333 -2.037 0.774 1.00 0.93 O ATOM 159 CB VAL A 11 -12.732 -0.064 -1.320 1.00 0.76 C ATOM 160 CG1 VAL A 11 -11.530 0.253 -0.445 1.00 1.35 C ATOM 161 CG2 VAL A 11 -12.610 0.660 -2.653 1.00 0.95 C ATOM 0 H VAL A 11 -14.849 -1.212 -2.090 1.00 0.62 H new ATOM 0 HA VAL A 11 -12.068 -1.886 -2.230 1.00 0.61 H new ATOM 0 HB VAL A 11 -13.630 0.280 -0.808 1.00 0.76 H new ATOM 0 HG11 VAL A 11 -11.460 1.331 -0.300 1.00 1.35 H new ATOM 0 HG12 VAL A 11 -11.645 -0.237 0.522 1.00 1.35 H new ATOM 0 HG13 VAL A 11 -10.622 -0.108 -0.929 1.00 1.35 H new ATOM 0 HG21 VAL A 11 -12.518 1.732 -2.478 1.00 0.95 H new ATOM 0 HG22 VAL A 11 -11.727 0.302 -3.182 1.00 0.95 H new ATOM 0 HG23 VAL A 11 -13.498 0.466 -3.255 1.00 0.95 H new ATOM 171 N THR A 12 -11.839 -3.350 -0.273 1.00 0.44 N ATOM 172 CA THR A 12 -11.577 -4.181 0.886 1.00 0.45 C ATOM 173 C THR A 12 -10.634 -3.465 1.850 1.00 0.41 C ATOM 174 O THR A 12 -9.589 -2.968 1.441 1.00 0.50 O ATOM 175 CB THR A 12 -10.954 -5.515 0.442 1.00 0.54 C ATOM 176 OG1 THR A 12 -11.737 -6.093 -0.611 1.00 0.61 O ATOM 177 CG2 THR A 12 -10.867 -6.493 1.600 1.00 0.64 C ATOM 0 H THR A 12 -11.309 -3.613 -1.104 1.00 0.44 H new ATOM 0 HA THR A 12 -12.520 -4.376 1.397 1.00 0.45 H new ATOM 0 HB THR A 12 -9.945 -5.312 0.084 1.00 0.54 H new ATOM 0 HG1 THR A 12 -11.334 -6.941 -0.890 1.00 0.61 H new ATOM 0 HG21 THR A 12 -10.423 -7.427 1.255 1.00 0.64 H new ATOM 0 HG22 THR A 12 -10.249 -6.067 2.390 1.00 0.64 H new ATOM 0 HG23 THR A 12 -11.867 -6.689 1.987 1.00 0.64 H new ATOM 185 N ILE A 13 -11.011 -3.391 3.119 1.00 0.40 N ATOM 186 CA ILE A 13 -10.161 -2.770 4.127 1.00 0.40 C ATOM 187 C ILE A 13 -9.303 -3.816 4.817 1.00 0.37 C ATOM 188 O ILE A 13 -9.817 -4.764 5.410 1.00 0.52 O ATOM 189 CB ILE A 13 -10.993 -2.000 5.180 1.00 0.52 C ATOM 190 CG1 ILE A 13 -11.706 -0.817 4.522 1.00 1.15 C ATOM 191 CG2 ILE A 13 -10.110 -1.527 6.328 1.00 1.26 C ATOM 192 CD1 ILE A 13 -10.763 0.170 3.871 1.00 1.30 C ATOM 0 H ILE A 13 -11.896 -3.752 3.475 1.00 0.40 H new ATOM 0 HA ILE A 13 -9.517 -2.056 3.614 1.00 0.40 H new ATOM 0 HB ILE A 13 -11.743 -2.675 5.591 1.00 0.52 H new ATOM 0 HG12 ILE A 13 -12.400 -1.194 3.771 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -12.301 -0.298 5.274 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -10.717 -0.988 7.056 1.00 1.26 H new ATOM 0 HG22 ILE A 13 -9.646 -2.388 6.809 1.00 1.26 H new ATOM 0 HG23 ILE A 13 -9.334 -0.866 5.942 1.00 1.26 H new ATOM 0 HD11 ILE A 13 -11.337 0.982 3.425 1.00 1.30 H new ATOM 0 HD12 ILE A 13 -10.085 0.575 4.622 1.00 1.30 H new ATOM 0 HD13 ILE A 13 -10.186 -0.335 3.096 1.00 1.30 H new ATOM 204 N MET A 14 -7.991 -3.655 4.715 1.00 0.26 N ATOM 205 CA MET A 14 -7.056 -4.566 5.317 1.00 0.28 C ATOM 206 C MET A 14 -5.905 -3.786 5.928 1.00 0.24 C ATOM 207 O MET A 14 -5.837 -2.569 5.791 1.00 0.29 O ATOM 208 CB MET A 14 -6.519 -5.523 4.266 1.00 0.36 C ATOM 209 CG MET A 14 -7.514 -6.572 3.805 1.00 0.49 C ATOM 210 SD MET A 14 -6.790 -7.700 2.600 1.00 0.79 S ATOM 211 CE MET A 14 -8.188 -8.743 2.203 1.00 0.69 C ATOM 0 H MET A 14 -7.554 -2.884 4.209 1.00 0.26 H new ATOM 0 HA MET A 14 -7.563 -5.135 6.096 1.00 0.28 H new ATOM 0 HB2 MET A 14 -6.191 -4.946 3.401 1.00 0.36 H new ATOM 0 HB3 MET A 14 -5.639 -6.026 4.666 1.00 0.36 H new ATOM 0 HG2 MET A 14 -7.869 -7.139 4.666 1.00 0.49 H new ATOM 0 HG3 MET A 14 -8.383 -6.081 3.367 1.00 0.49 H new ATOM 0 HE1 MET A 14 -8.144 -9.025 1.151 1.00 0.69 H new ATOM 0 HE2 MET A 14 -8.159 -9.641 2.821 1.00 0.69 H new ATOM 0 HE3 MET A 14 -9.113 -8.200 2.395 1.00 0.69 H new ATOM 221 N GLY A 15 -5.005 -4.486 6.585 1.00 0.27 N ATOM 222 CA GLY A 15 -3.878 -3.846 7.196 1.00 0.27 C ATOM 223 C GLY A 15 -3.562 -4.469 8.523 1.00 0.24 C ATOM 224 O GLY A 15 -4.013 -5.575 8.803 1.00 0.31 O ATOM 0 H GLY A 15 -5.039 -5.498 6.705 1.00 0.27 H new ATOM 0 HA2 GLY A 15 -3.012 -3.922 6.539 1.00 0.27 H new ATOM 0 HA3 GLY A 15 -4.086 -2.784 7.329 1.00 0.27 H new ATOM 228 N HIS A 16 -2.786 -3.784 9.336 1.00 0.20 N ATOM 229 CA HIS A 16 -2.469 -4.309 10.652 1.00 0.17 C ATOM 230 C HIS A 16 -3.425 -3.774 11.710 1.00 0.19 C ATOM 231 O HIS A 16 -4.063 -2.732 11.548 1.00 0.22 O ATOM 232 CB HIS A 16 -1.028 -3.986 11.043 1.00 0.17 C ATOM 233 CG HIS A 16 -0.571 -4.716 12.272 1.00 0.16 C ATOM 234 ND1 HIS A 16 -0.704 -6.079 12.394 1.00 0.16 N ATOM 235 CD2 HIS A 16 -0.030 -4.227 13.404 1.00 0.19 C ATOM 236 CE1 HIS A 16 -0.244 -6.379 13.599 1.00 0.19 C ATOM 237 NE2 HIS A 16 0.177 -5.287 14.245 1.00 0.22 N ATOM 0 H HIS A 16 -2.369 -2.879 9.118 1.00 0.20 H new ATOM 0 HA HIS A 16 -2.583 -5.392 10.600 1.00 0.17 H new ATOM 0 HB2 HIS A 16 -0.368 -4.237 10.213 1.00 0.17 H new ATOM 0 HB3 HIS A 16 -0.936 -2.913 11.210 1.00 0.17 H new ATOM 0 HD2 HIS A 16 0.198 -3.192 13.610 1.00 0.19 H new ATOM 0 HE1 HIS A 16 -0.213 -7.378 14.008 1.00 0.19 H new ATOM 0 HE2 HIS A 16 0.575 -5.251 15.183 1.00 0.22 H new ATOM 245 N VAL A 17 -3.511 -4.521 12.792 1.00 0.20 N ATOM 246 CA VAL A 17 -4.318 -4.170 13.943 1.00 0.25 C ATOM 247 C VAL A 17 -3.653 -3.062 14.742 1.00 0.26 C ATOM 248 O VAL A 17 -2.429 -2.946 14.744 1.00 0.25 O ATOM 249 CB VAL A 17 -4.508 -5.414 14.819 1.00 0.29 C ATOM 250 CG1 VAL A 17 -3.161 -6.027 15.163 1.00 0.30 C ATOM 251 CG2 VAL A 17 -5.262 -5.112 16.087 1.00 0.36 C ATOM 0 H VAL A 17 -3.013 -5.405 12.898 1.00 0.20 H new ATOM 0 HA VAL A 17 -5.289 -3.808 13.605 1.00 0.25 H new ATOM 0 HB VAL A 17 -5.101 -6.122 14.240 1.00 0.29 H new ATOM 0 HG11 VAL A 17 -3.311 -6.909 15.785 1.00 0.30 H new ATOM 0 HG12 VAL A 17 -2.647 -6.313 14.246 1.00 0.30 H new ATOM 0 HG13 VAL A 17 -2.558 -5.299 15.705 1.00 0.30 H new ATOM 0 HG21 VAL A 17 -5.370 -6.025 16.672 1.00 0.36 H new ATOM 0 HG22 VAL A 17 -4.714 -4.371 16.669 1.00 0.36 H new ATOM 0 HG23 VAL A 17 -6.249 -4.721 15.839 1.00 0.36 H new ATOM 261 N ASP A 18 -4.469 -2.236 15.392 1.00 0.31 N ATOM 262 CA ASP A 18 -3.991 -1.073 16.151 1.00 0.36 C ATOM 263 C ASP A 18 -3.537 0.028 15.197 1.00 0.34 C ATOM 264 O ASP A 18 -3.469 1.202 15.563 1.00 0.41 O ATOM 265 CB ASP A 18 -2.870 -1.463 17.124 1.00 0.42 C ATOM 266 CG ASP A 18 -2.427 -0.303 18.001 1.00 0.55 C ATOM 267 OD1 ASP A 18 -3.140 0.027 18.974 1.00 0.69 O ATOM 268 OD2 ASP A 18 -1.369 0.290 17.715 1.00 0.59 O ATOM 0 H ASP A 18 -5.482 -2.350 15.410 1.00 0.31 H new ATOM 0 HA ASP A 18 -4.818 -0.691 16.749 1.00 0.36 H new ATOM 0 HB2 ASP A 18 -3.212 -2.282 17.757 1.00 0.42 H new ATOM 0 HB3 ASP A 18 -2.015 -1.833 16.558 1.00 0.42 H new ATOM 273 N HIS A 19 -3.229 -0.363 13.964 1.00 0.29 N ATOM 274 CA HIS A 19 -3.032 0.591 12.893 1.00 0.32 C ATOM 275 C HIS A 19 -4.386 1.131 12.477 1.00 0.43 C ATOM 276 O HIS A 19 -4.485 2.181 11.859 1.00 0.63 O ATOM 277 CB HIS A 19 -2.337 -0.042 11.684 1.00 0.29 C ATOM 278 CG HIS A 19 -0.950 -0.530 11.958 1.00 0.22 C ATOM 279 ND1 HIS A 19 -0.073 -0.790 10.935 1.00 0.27 N ATOM 280 CD2 HIS A 19 -0.348 -0.799 13.137 1.00 0.21 C ATOM 281 CE1 HIS A 19 1.039 -1.208 11.512 1.00 0.26 C ATOM 282 NE2 HIS A 19 0.918 -1.231 12.844 1.00 0.24 N ATOM 0 H HIS A 19 -3.112 -1.338 13.688 1.00 0.29 H new ATOM 0 HA HIS A 19 -2.388 1.392 13.256 1.00 0.32 H new ATOM 0 HB2 HIS A 19 -2.940 -0.878 11.329 1.00 0.29 H new ATOM 0 HB3 HIS A 19 -2.300 0.690 10.877 1.00 0.29 H new ATOM 0 HD2 HIS A 19 -0.781 -0.694 14.121 1.00 0.21 H new ATOM 0 HE1 HIS A 19 1.932 -1.495 10.977 1.00 0.26 H new ATOM 0 HE2 HIS A 19 1.633 -1.516 13.514 1.00 0.24 H new ATOM 290 N GLY A 20 -5.429 0.380 12.819 1.00 0.42 N ATOM 291 CA GLY A 20 -6.780 0.853 12.624 1.00 0.54 C ATOM 292 C GLY A 20 -7.533 0.130 11.536 1.00 0.57 C ATOM 293 O GLY A 20 -7.915 0.739 10.542 1.00 0.79 O ATOM 0 H GLY A 20 -5.357 -0.551 13.229 1.00 0.42 H new ATOM 0 HA2 GLY A 20 -7.328 0.751 13.560 1.00 0.54 H new ATOM 0 HA3 GLY A 20 -6.751 1.916 12.386 1.00 0.54 H new ATOM 297 N LYS A 21 -7.760 -1.160 11.709 1.00 0.61 N ATOM 298 CA LYS A 21 -8.538 -1.899 10.727 1.00 0.95 C ATOM 299 C LYS A 21 -10.022 -1.503 10.775 1.00 0.89 C ATOM 300 O LYS A 21 -10.587 -1.058 9.777 1.00 1.05 O ATOM 301 CB LYS A 21 -8.362 -3.397 10.957 1.00 1.36 C ATOM 302 CG LYS A 21 -8.592 -4.244 9.711 1.00 1.79 C ATOM 303 CD LYS A 21 -10.070 -4.452 9.406 1.00 2.30 C ATOM 304 CE LYS A 21 -10.699 -5.452 10.367 1.00 2.66 C ATOM 305 NZ LYS A 21 -12.094 -5.802 9.983 1.00 3.31 N ATOM 0 H LYS A 21 -7.426 -1.709 12.501 1.00 0.61 H new ATOM 0 HA LYS A 21 -8.172 -1.648 9.732 1.00 0.95 H new ATOM 0 HB2 LYS A 21 -7.354 -3.582 11.329 1.00 1.36 H new ATOM 0 HB3 LYS A 21 -9.053 -3.719 11.736 1.00 1.36 H new ATOM 0 HG2 LYS A 21 -8.113 -3.765 8.857 1.00 1.79 H new ATOM 0 HG3 LYS A 21 -8.112 -5.214 9.842 1.00 1.79 H new ATOM 0 HD2 LYS A 21 -10.595 -3.499 9.474 1.00 2.30 H new ATOM 0 HD3 LYS A 21 -10.186 -4.807 8.382 1.00 2.30 H new ATOM 0 HE2 LYS A 21 -10.093 -6.358 10.393 1.00 2.66 H new ATOM 0 HE3 LYS A 21 -10.695 -5.036 11.375 1.00 2.66 H new ATOM 0 HZ1 LYS A 21 -12.271 -6.805 10.195 1.00 3.31 H new ATOM 0 HZ2 LYS A 21 -12.760 -5.211 10.520 1.00 3.31 H new ATOM 0 HZ3 LYS A 21 -12.226 -5.635 8.965 1.00 3.31 H new ATOM 319 N THR A 22 -10.648 -1.652 11.935 1.00 0.84 N ATOM 320 CA THR A 22 -12.082 -1.406 12.067 1.00 0.87 C ATOM 321 C THR A 22 -12.395 0.067 12.348 1.00 0.79 C ATOM 322 O THR A 22 -13.454 0.571 11.970 1.00 0.79 O ATOM 323 CB THR A 22 -12.673 -2.276 13.194 1.00 1.02 C ATOM 324 OG1 THR A 22 -12.297 -3.642 12.994 1.00 1.21 O ATOM 325 CG2 THR A 22 -14.195 -2.169 13.234 1.00 1.18 C ATOM 0 H THR A 22 -10.188 -1.942 12.798 1.00 0.84 H new ATOM 0 HA THR A 22 -12.538 -1.671 11.113 1.00 0.87 H new ATOM 0 HB THR A 22 -12.278 -1.916 14.144 1.00 1.02 H new ATOM 0 HG1 THR A 22 -11.365 -3.768 13.269 1.00 1.21 H new ATOM 0 HG21 THR A 22 -14.583 -2.794 14.039 1.00 1.18 H new ATOM 0 HG22 THR A 22 -14.482 -1.132 13.409 1.00 1.18 H new ATOM 0 HG23 THR A 22 -14.608 -2.505 12.283 1.00 1.18 H new ATOM 333 N THR A 23 -11.467 0.758 12.993 1.00 0.75 N ATOM 334 CA THR A 23 -11.679 2.141 13.405 1.00 0.75 C ATOM 335 C THR A 23 -11.977 3.064 12.231 1.00 0.67 C ATOM 336 O THR A 23 -12.686 4.047 12.381 1.00 0.66 O ATOM 337 CB THR A 23 -10.458 2.658 14.170 1.00 0.82 C ATOM 338 OG1 THR A 23 -9.304 1.932 13.739 1.00 1.25 O ATOM 339 CG2 THR A 23 -10.643 2.500 15.673 1.00 1.17 C ATOM 0 H THR A 23 -10.553 0.382 13.245 1.00 0.75 H new ATOM 0 HA THR A 23 -12.555 2.146 14.054 1.00 0.75 H new ATOM 0 HB THR A 23 -10.333 3.721 13.962 1.00 0.82 H new ATOM 0 HG1 THR A 23 -9.265 1.072 14.208 1.00 1.25 H new ATOM 0 HG21 THR A 23 -9.760 2.876 16.190 1.00 1.17 H new ATOM 0 HG22 THR A 23 -11.519 3.065 15.993 1.00 1.17 H new ATOM 0 HG23 THR A 23 -10.783 1.446 15.914 1.00 1.17 H new ATOM 347 N LEU A 24 -11.450 2.741 11.059 1.00 0.65 N ATOM 348 CA LEU A 24 -11.737 3.519 9.857 1.00 0.63 C ATOM 349 C LEU A 24 -13.178 3.334 9.431 1.00 0.64 C ATOM 350 O LEU A 24 -13.841 4.289 9.061 1.00 0.65 O ATOM 351 CB LEU A 24 -10.803 3.121 8.739 1.00 0.67 C ATOM 352 CG LEU A 24 -9.499 3.925 8.651 1.00 0.84 C ATOM 353 CD1 LEU A 24 -8.674 3.786 9.922 1.00 1.49 C ATOM 354 CD2 LEU A 24 -8.692 3.490 7.439 1.00 1.30 C ATOM 0 H LEU A 24 -10.824 1.949 10.912 1.00 0.65 H new ATOM 0 HA LEU A 24 -11.580 4.573 10.085 1.00 0.63 H new ATOM 0 HB2 LEU A 24 -10.552 2.067 8.856 1.00 0.67 H new ATOM 0 HB3 LEU A 24 -11.335 3.219 7.792 1.00 0.67 H new ATOM 0 HG LEU A 24 -9.760 4.977 8.540 1.00 0.84 H new ATOM 0 HD11 LEU A 24 -7.757 4.368 9.826 1.00 1.49 H new ATOM 0 HD12 LEU A 24 -9.250 4.153 10.771 1.00 1.49 H new ATOM 0 HD13 LEU A 24 -8.423 2.737 10.080 1.00 1.49 H new ATOM 0 HD21 LEU A 24 -7.770 4.069 7.389 1.00 1.30 H new ATOM 0 HD22 LEU A 24 -8.451 2.430 7.523 1.00 1.30 H new ATOM 0 HD23 LEU A 24 -9.275 3.659 6.534 1.00 1.30 H new ATOM 366 N LEU A 25 -13.681 2.118 9.528 1.00 0.68 N ATOM 367 CA LEU A 25 -15.065 1.861 9.164 1.00 0.75 C ATOM 368 C LEU A 25 -15.998 2.509 10.180 1.00 0.74 C ATOM 369 O LEU A 25 -17.206 2.611 9.967 1.00 0.82 O ATOM 370 CB LEU A 25 -15.345 0.360 9.088 1.00 0.85 C ATOM 371 CG LEU A 25 -14.386 -0.453 8.213 1.00 0.92 C ATOM 372 CD1 LEU A 25 -14.933 -1.852 8.009 1.00 1.63 C ATOM 373 CD2 LEU A 25 -14.149 0.223 6.871 1.00 1.69 C ATOM 0 H LEU A 25 -13.162 1.301 9.851 1.00 0.68 H new ATOM 0 HA LEU A 25 -15.243 2.292 8.179 1.00 0.75 H new ATOM 0 HB2 LEU A 25 -15.318 -0.047 10.099 1.00 0.85 H new ATOM 0 HB3 LEU A 25 -16.359 0.217 8.713 1.00 0.85 H new ATOM 0 HG LEU A 25 -13.427 -0.513 8.727 1.00 0.92 H new ATOM 0 HD11 LEU A 25 -14.246 -2.424 7.386 1.00 1.63 H new ATOM 0 HD12 LEU A 25 -15.042 -2.344 8.975 1.00 1.63 H new ATOM 0 HD13 LEU A 25 -15.905 -1.795 7.519 1.00 1.63 H new ATOM 0 HD21 LEU A 25 -13.464 -0.381 6.275 1.00 1.69 H new ATOM 0 HD22 LEU A 25 -15.097 0.324 6.342 1.00 1.69 H new ATOM 0 HD23 LEU A 25 -13.716 1.210 7.032 1.00 1.69 H new ATOM 385 N ASP A 26 -15.416 2.952 11.285 1.00 0.71 N ATOM 386 CA ASP A 26 -16.154 3.628 12.339 1.00 0.75 C ATOM 387 C ASP A 26 -16.031 5.125 12.145 1.00 0.70 C ATOM 388 O ASP A 26 -17.002 5.880 12.242 1.00 0.76 O ATOM 389 CB ASP A 26 -15.571 3.241 13.687 1.00 0.81 C ATOM 390 CG ASP A 26 -16.399 3.714 14.866 1.00 1.01 C ATOM 391 OD1 ASP A 26 -16.201 4.864 15.308 1.00 1.23 O ATOM 392 OD2 ASP A 26 -17.274 2.959 15.332 1.00 1.13 O ATOM 0 H ASP A 26 -14.419 2.852 11.475 1.00 0.71 H new ATOM 0 HA ASP A 26 -17.204 3.338 12.302 1.00 0.75 H new ATOM 0 HB2 ASP A 26 -15.475 2.156 13.734 1.00 0.81 H new ATOM 0 HB3 ASP A 26 -14.566 3.654 13.771 1.00 0.81 H new ATOM 397 N ALA A 27 -14.816 5.527 11.833 1.00 0.63 N ATOM 398 CA ALA A 27 -14.474 6.930 11.685 1.00 0.61 C ATOM 399 C ALA A 27 -14.997 7.491 10.371 1.00 0.58 C ATOM 400 O ALA A 27 -15.669 8.521 10.342 1.00 0.62 O ATOM 401 CB ALA A 27 -12.967 7.077 11.753 1.00 0.61 C ATOM 0 H ALA A 27 -14.035 4.890 11.674 1.00 0.63 H new ATOM 0 HA ALA A 27 -14.941 7.494 12.492 1.00 0.61 H new ATOM 0 HB1 ALA A 27 -12.699 8.128 11.643 1.00 0.61 H new ATOM 0 HB2 ALA A 27 -12.609 6.710 12.715 1.00 0.61 H new ATOM 0 HB3 ALA A 27 -12.508 6.499 10.950 1.00 0.61 H new ATOM 407 N ILE A 28 -14.697 6.786 9.290 1.00 0.56 N ATOM 408 CA ILE A 28 -15.009 7.239 7.943 1.00 0.57 C ATOM 409 C ILE A 28 -16.518 7.397 7.734 1.00 0.64 C ATOM 410 O ILE A 28 -16.954 8.271 6.985 1.00 0.71 O ATOM 411 CB ILE A 28 -14.427 6.267 6.896 1.00 0.61 C ATOM 412 CG1 ILE A 28 -12.900 6.218 7.005 1.00 0.84 C ATOM 413 CG2 ILE A 28 -14.832 6.665 5.493 1.00 1.02 C ATOM 414 CD1 ILE A 28 -12.265 5.183 6.103 1.00 0.85 C ATOM 0 H ILE A 28 -14.229 5.880 9.323 1.00 0.56 H new ATOM 0 HA ILE A 28 -14.549 8.219 7.814 1.00 0.57 H new ATOM 0 HB ILE A 28 -14.832 5.276 7.100 1.00 0.61 H new ATOM 0 HG12 ILE A 28 -12.494 7.200 6.761 1.00 0.84 H new ATOM 0 HG13 ILE A 28 -12.624 6.007 8.038 1.00 0.84 H new ATOM 0 HG21 ILE A 28 -14.406 5.961 4.778 1.00 1.02 H new ATOM 0 HG22 ILE A 28 -15.919 6.653 5.411 1.00 1.02 H new ATOM 0 HG23 ILE A 28 -14.463 7.668 5.278 1.00 1.02 H new ATOM 0 HD11 ILE A 28 -11.183 5.203 6.232 1.00 0.85 H new ATOM 0 HD12 ILE A 28 -12.643 4.194 6.362 1.00 0.85 H new ATOM 0 HD13 ILE A 28 -12.511 5.405 5.065 1.00 0.85 H new ATOM 426 N ARG A 29 -17.314 6.568 8.409 1.00 0.70 N ATOM 427 CA ARG A 29 -18.772 6.679 8.323 1.00 0.82 C ATOM 428 C ARG A 29 -19.224 8.089 8.672 1.00 0.86 C ATOM 429 O ARG A 29 -19.921 8.739 7.898 1.00 1.07 O ATOM 430 CB ARG A 29 -19.470 5.684 9.256 1.00 0.99 C ATOM 431 CG ARG A 29 -19.477 4.261 8.739 1.00 1.06 C ATOM 432 CD ARG A 29 -20.699 3.498 9.227 1.00 1.06 C ATOM 433 NE ARG A 29 -20.682 3.255 10.669 1.00 1.62 N ATOM 434 CZ ARG A 29 -21.781 3.023 11.394 1.00 2.19 C ATOM 435 NH1 ARG A 29 -22.972 3.006 10.816 1.00 2.49 N ATOM 436 NH2 ARG A 29 -21.688 2.790 12.694 1.00 3.04 N ATOM 0 H ARG A 29 -16.980 5.819 9.016 1.00 0.70 H new ATOM 0 HA ARG A 29 -19.050 6.448 7.295 1.00 0.82 H new ATOM 0 HB2 ARG A 29 -18.977 5.705 10.228 1.00 0.99 H new ATOM 0 HB3 ARG A 29 -20.499 6.008 9.413 1.00 0.99 H new ATOM 0 HG2 ARG A 29 -19.462 4.268 7.649 1.00 1.06 H new ATOM 0 HG3 ARG A 29 -18.572 3.749 9.066 1.00 1.06 H new ATOM 0 HD2 ARG A 29 -21.598 4.059 8.969 1.00 1.06 H new ATOM 0 HD3 ARG A 29 -20.758 2.544 8.704 1.00 1.06 H new ATOM 0 HE ARG A 29 -19.782 3.263 11.148 1.00 1.62 H new ATOM 0 HH11 ARG A 29 -23.054 3.170 9.813 1.00 2.49 H new ATOM 0 HH12 ARG A 29 -23.807 2.828 11.374 1.00 2.49 H new ATOM 0 HH21 ARG A 29 -20.774 2.787 13.147 1.00 3.04 H new ATOM 0 HH22 ARG A 29 -22.530 2.614 13.242 1.00 3.04 H new ATOM 450 N HIS A 30 -18.791 8.568 9.825 1.00 0.83 N ATOM 451 CA HIS A 30 -19.199 9.880 10.323 1.00 0.98 C ATOM 452 C HIS A 30 -18.336 10.989 9.738 1.00 0.95 C ATOM 453 O HIS A 30 -18.245 12.095 10.273 1.00 1.10 O ATOM 454 CB HIS A 30 -19.103 9.896 11.832 1.00 1.15 C ATOM 455 CG HIS A 30 -19.847 11.007 12.495 1.00 1.60 C ATOM 456 ND1 HIS A 30 -19.633 11.388 13.801 1.00 2.04 N ATOM 457 CD2 HIS A 30 -20.805 11.814 12.019 1.00 2.10 C ATOM 458 CE1 HIS A 30 -20.440 12.392 14.097 1.00 2.61 C ATOM 459 NE2 HIS A 30 -21.161 12.670 13.029 1.00 2.65 N ATOM 0 H HIS A 30 -18.152 8.067 10.442 1.00 0.83 H new ATOM 0 HA HIS A 30 -20.229 10.060 10.014 1.00 0.98 H new ATOM 0 HB2 HIS A 30 -19.477 8.947 12.216 1.00 1.15 H new ATOM 0 HB3 HIS A 30 -18.052 9.962 12.114 1.00 1.15 H new ATOM 0 HD2 HIS A 30 -21.221 11.794 11.022 1.00 2.10 H new ATOM 0 HE1 HIS A 30 -20.499 12.897 15.050 1.00 2.61 H new ATOM 0 HE2 HIS A 30 -21.868 13.402 12.965 1.00 2.65 H new ATOM 468 N SER A 31 -17.702 10.676 8.645 1.00 0.82 N ATOM 469 CA SER A 31 -16.854 11.631 7.944 1.00 0.84 C ATOM 470 C SER A 31 -17.507 12.100 6.639 1.00 1.00 C ATOM 471 O SER A 31 -16.858 12.729 5.799 1.00 1.38 O ATOM 472 CB SER A 31 -15.480 11.016 7.675 1.00 0.78 C ATOM 473 OG SER A 31 -14.874 10.595 8.885 1.00 1.46 O ATOM 0 H SER A 31 -17.750 9.757 8.205 1.00 0.82 H new ATOM 0 HA SER A 31 -16.726 12.507 8.580 1.00 0.84 H new ATOM 0 HB2 SER A 31 -15.582 10.167 6.999 1.00 0.78 H new ATOM 0 HB3 SER A 31 -14.841 11.745 7.177 1.00 0.78 H new ATOM 0 HG SER A 31 -15.307 9.774 9.199 1.00 1.46 H new ATOM 479 N LYS A 32 -18.793 11.794 6.475 1.00 0.91 N ATOM 480 CA LYS A 32 -19.563 12.288 5.337 1.00 1.09 C ATOM 481 C LYS A 32 -21.055 12.234 5.645 1.00 1.10 C ATOM 482 O LYS A 32 -21.443 11.941 6.775 1.00 1.37 O ATOM 483 CB LYS A 32 -19.245 11.516 4.038 1.00 1.39 C ATOM 484 CG LYS A 32 -19.740 10.072 3.984 1.00 1.56 C ATOM 485 CD LYS A 32 -18.904 9.144 4.851 1.00 2.24 C ATOM 486 CE LYS A 32 -19.064 7.684 4.443 1.00 3.10 C ATOM 487 NZ LYS A 32 -20.490 7.265 4.384 1.00 3.92 N ATOM 0 H LYS A 32 -19.323 11.205 7.117 1.00 0.91 H new ATOM 0 HA LYS A 32 -19.272 13.325 5.171 1.00 1.09 H new ATOM 0 HB2 LYS A 32 -19.679 12.060 3.199 1.00 1.39 H new ATOM 0 HB3 LYS A 32 -18.165 11.515 3.893 1.00 1.39 H new ATOM 0 HG2 LYS A 32 -20.779 10.034 4.311 1.00 1.56 H new ATOM 0 HG3 LYS A 32 -19.717 9.721 2.952 1.00 1.56 H new ATOM 0 HD2 LYS A 32 -17.854 9.428 4.778 1.00 2.24 H new ATOM 0 HD3 LYS A 32 -19.195 9.263 5.895 1.00 2.24 H new ATOM 0 HE2 LYS A 32 -18.602 7.529 3.468 1.00 3.10 H new ATOM 0 HE3 LYS A 32 -18.531 7.051 5.152 1.00 3.10 H new ATOM 0 HZ1 LYS A 32 -20.548 6.275 4.070 1.00 3.92 H new ATOM 0 HZ2 LYS A 32 -20.917 7.354 5.328 1.00 3.92 H new ATOM 0 HZ3 LYS A 32 -21.003 7.872 3.713 1.00 3.92 H new ATOM 501 N VAL A 33 -21.878 12.527 4.641 1.00 1.17 N ATOM 502 CA VAL A 33 -23.333 12.583 4.808 1.00 1.39 C ATOM 503 C VAL A 33 -23.880 11.278 5.377 1.00 1.51 C ATOM 504 O VAL A 33 -24.493 11.258 6.444 1.00 2.31 O ATOM 505 CB VAL A 33 -24.036 12.887 3.468 1.00 2.16 C ATOM 506 CG1 VAL A 33 -25.544 12.969 3.647 1.00 3.10 C ATOM 507 CG2 VAL A 33 -23.503 14.178 2.871 1.00 3.06 C ATOM 0 H VAL A 33 -21.561 12.732 3.693 1.00 1.17 H new ATOM 0 HA VAL A 33 -23.540 13.389 5.512 1.00 1.39 H new ATOM 0 HB VAL A 33 -23.821 12.068 2.781 1.00 2.16 H new ATOM 0 HG11 VAL A 33 -26.013 13.184 2.687 1.00 3.10 H new ATOM 0 HG12 VAL A 33 -25.917 12.019 4.028 1.00 3.10 H new ATOM 0 HG13 VAL A 33 -25.784 13.763 4.354 1.00 3.10 H new ATOM 0 HG21 VAL A 33 -24.009 14.378 1.926 1.00 3.06 H new ATOM 0 HG22 VAL A 33 -23.686 15.001 3.562 1.00 3.06 H new ATOM 0 HG23 VAL A 33 -22.431 14.083 2.696 1.00 3.06 H new ATOM 517 N THR A 34 -23.660 10.198 4.651 1.00 1.46 N ATOM 518 CA THR A 34 -24.043 8.879 5.112 1.00 1.91 C ATOM 519 C THR A 34 -23.179 8.473 6.294 1.00 2.50 C ATOM 520 O THR A 34 -21.961 8.390 6.170 1.00 2.78 O ATOM 521 CB THR A 34 -23.861 7.852 3.999 1.00 1.83 C ATOM 522 OG1 THR A 34 -23.528 8.524 2.778 1.00 2.42 O ATOM 523 CG2 THR A 34 -25.112 7.016 3.805 1.00 1.73 C ATOM 0 H THR A 34 -23.215 10.210 3.733 1.00 1.46 H new ATOM 0 HA THR A 34 -25.091 8.912 5.409 1.00 1.91 H new ATOM 0 HB THR A 34 -23.052 7.180 4.284 1.00 1.83 H new ATOM 0 HG1 THR A 34 -24.333 8.937 2.402 1.00 2.42 H new ATOM 0 HG21 THR A 34 -24.947 6.295 3.005 1.00 1.73 H new ATOM 0 HG22 THR A 34 -25.342 6.486 4.729 1.00 1.73 H new ATOM 0 HG23 THR A 34 -25.947 7.666 3.542 1.00 1.73 H new ATOM 531 N GLU A 35 -23.800 8.201 7.415 1.00 3.15 N ATOM 532 CA GLU A 35 -23.064 7.897 8.634 1.00 3.98 C ATOM 533 C GLU A 35 -23.763 6.820 9.445 1.00 4.05 C ATOM 534 O GLU A 35 -23.124 5.896 9.946 1.00 4.33 O ATOM 535 CB GLU A 35 -22.880 9.162 9.482 1.00 4.75 C ATOM 536 CG GLU A 35 -24.180 9.890 9.796 1.00 5.08 C ATOM 537 CD GLU A 35 -23.992 11.035 10.765 1.00 5.84 C ATOM 538 OE1 GLU A 35 -23.621 12.140 10.318 1.00 6.16 O ATOM 539 OE2 GLU A 35 -24.205 10.832 11.978 1.00 6.34 O ATOM 0 H GLU A 35 -24.815 8.182 7.517 1.00 3.15 H new ATOM 0 HA GLU A 35 -22.083 7.521 8.344 1.00 3.98 H new ATOM 0 HB2 GLU A 35 -22.391 8.892 10.418 1.00 4.75 H new ATOM 0 HB3 GLU A 35 -22.211 9.844 8.958 1.00 4.75 H new ATOM 0 HG2 GLU A 35 -24.610 10.271 8.870 1.00 5.08 H new ATOM 0 HG3 GLU A 35 -24.896 9.182 10.213 1.00 5.08 H new ATOM 546 N GLN A 36 -25.074 6.933 9.557 1.00 4.07 N ATOM 547 CA GLN A 36 -25.852 6.019 10.373 1.00 4.38 C ATOM 548 C GLN A 36 -26.268 4.798 9.566 1.00 4.02 C ATOM 549 O GLN A 36 -26.296 3.679 10.081 1.00 4.41 O ATOM 550 CB GLN A 36 -27.086 6.732 10.921 1.00 5.16 C ATOM 551 CG GLN A 36 -27.923 5.882 11.854 1.00 5.59 C ATOM 552 CD GLN A 36 -29.177 6.589 12.311 1.00 6.26 C ATOM 553 OE1 GLN A 36 -29.745 7.409 11.589 1.00 6.59 O ATOM 554 NE2 GLN A 36 -29.615 6.284 13.514 1.00 6.79 N ATOM 0 H GLN A 36 -25.625 7.653 9.090 1.00 4.07 H new ATOM 0 HA GLN A 36 -25.233 5.685 11.206 1.00 4.38 H new ATOM 0 HB2 GLN A 36 -26.769 7.631 11.450 1.00 5.16 H new ATOM 0 HB3 GLN A 36 -27.707 7.056 10.086 1.00 5.16 H new ATOM 0 HG2 GLN A 36 -28.196 4.955 11.350 1.00 5.59 H new ATOM 0 HG3 GLN A 36 -27.327 5.608 12.724 1.00 5.59 H new ATOM 0 HE21 GLN A 36 -29.115 5.599 14.080 1.00 6.79 H new ATOM 0 HE22 GLN A 36 -30.455 6.733 13.880 1.00 6.79 H new ATOM 563 N GLU A 37 -26.586 5.021 8.300 1.00 3.65 N ATOM 564 CA GLU A 37 -27.035 3.947 7.433 1.00 3.72 C ATOM 565 C GLU A 37 -25.846 3.108 6.976 1.00 3.46 C ATOM 566 O GLU A 37 -24.766 3.646 6.711 1.00 3.48 O ATOM 567 CB GLU A 37 -27.789 4.504 6.225 1.00 4.27 C ATOM 568 CG GLU A 37 -28.595 3.452 5.483 1.00 4.95 C ATOM 569 CD GLU A 37 -29.292 4.006 4.261 1.00 5.60 C ATOM 570 OE1 GLU A 37 -29.967 5.053 4.377 1.00 5.76 O ATOM 571 OE2 GLU A 37 -29.189 3.380 3.181 1.00 6.24 O ATOM 0 H GLU A 37 -26.541 5.936 7.852 1.00 3.65 H new ATOM 0 HA GLU A 37 -27.718 3.312 7.997 1.00 3.72 H new ATOM 0 HB2 GLU A 37 -28.459 5.297 6.557 1.00 4.27 H new ATOM 0 HB3 GLU A 37 -27.075 4.957 5.537 1.00 4.27 H new ATOM 0 HG2 GLU A 37 -27.934 2.639 5.182 1.00 4.95 H new ATOM 0 HG3 GLU A 37 -29.337 3.026 6.158 1.00 4.95 H new ATOM 578 N ALA A 38 -26.062 1.792 6.896 1.00 3.77 N ATOM 579 CA ALA A 38 -25.014 0.834 6.538 1.00 4.17 C ATOM 580 C ALA A 38 -23.952 0.756 7.631 1.00 4.07 C ATOM 581 O ALA A 38 -23.996 1.502 8.609 1.00 4.46 O ATOM 582 CB ALA A 38 -24.395 1.173 5.187 1.00 4.95 C ATOM 0 H ALA A 38 -26.969 1.361 7.078 1.00 3.77 H new ATOM 0 HA ALA A 38 -25.475 -0.150 6.449 1.00 4.17 H new ATOM 0 HB1 ALA A 38 -23.620 0.444 4.949 1.00 4.95 H new ATOM 0 HB2 ALA A 38 -25.166 1.148 4.417 1.00 4.95 H new ATOM 0 HB3 ALA A 38 -23.955 2.170 5.228 1.00 4.95 H new ATOM 588 N GLY A 39 -23.004 -0.154 7.471 1.00 4.00 N ATOM 589 CA GLY A 39 -22.014 -0.374 8.507 1.00 4.22 C ATOM 590 C GLY A 39 -22.580 -1.197 9.648 1.00 4.22 C ATOM 591 O GLY A 39 -22.122 -1.103 10.786 1.00 4.68 O ATOM 0 H GLY A 39 -22.901 -0.744 6.645 1.00 4.00 H new ATOM 0 HA2 GLY A 39 -21.149 -0.884 8.083 1.00 4.22 H new ATOM 0 HA3 GLY A 39 -21.664 0.586 8.887 1.00 4.22 H new ATOM 595 N GLY A 40 -23.580 -2.010 9.334 1.00 4.14 N ATOM 596 CA GLY A 40 -24.239 -2.809 10.342 1.00 4.55 C ATOM 597 C GLY A 40 -25.743 -2.658 10.271 1.00 4.28 C ATOM 598 O GLY A 40 -26.333 -1.871 11.008 1.00 4.37 O ATOM 0 H GLY A 40 -23.947 -2.129 8.390 1.00 4.14 H new ATOM 0 HA2 GLY A 40 -23.971 -3.857 10.210 1.00 4.55 H new ATOM 0 HA3 GLY A 40 -23.888 -2.512 11.330 1.00 4.55 H new ATOM 602 N ILE A 41 -26.364 -3.415 9.376 1.00 4.35 N ATOM 603 CA ILE A 41 -27.798 -3.310 9.157 1.00 4.40 C ATOM 604 C ILE A 41 -28.531 -4.464 9.827 1.00 4.54 C ATOM 605 O ILE A 41 -28.214 -5.636 9.594 1.00 5.04 O ATOM 606 CB ILE A 41 -28.146 -3.259 7.646 1.00 4.99 C ATOM 607 CG1 ILE A 41 -29.666 -3.238 7.435 1.00 5.27 C ATOM 608 CG2 ILE A 41 -27.520 -4.430 6.900 1.00 5.57 C ATOM 609 CD1 ILE A 41 -30.356 -2.048 8.071 1.00 5.56 C ATOM 0 H ILE A 41 -25.896 -4.108 8.791 1.00 4.35 H new ATOM 0 HA ILE A 41 -28.127 -2.373 9.607 1.00 4.40 H new ATOM 0 HB ILE A 41 -27.730 -2.337 7.240 1.00 4.99 H new ATOM 0 HG12 ILE A 41 -29.875 -3.238 6.365 1.00 5.27 H new ATOM 0 HG13 ILE A 41 -30.093 -4.154 7.843 1.00 5.27 H new ATOM 0 HG21 ILE A 41 -27.780 -4.369 5.843 1.00 5.57 H new ATOM 0 HG22 ILE A 41 -26.436 -4.394 7.010 1.00 5.57 H new ATOM 0 HG23 ILE A 41 -27.895 -5.367 7.313 1.00 5.57 H new ATOM 0 HD11 ILE A 41 -31.428 -2.103 7.879 1.00 5.56 H new ATOM 0 HD12 ILE A 41 -30.179 -2.057 9.147 1.00 5.56 H new ATOM 0 HD13 ILE A 41 -29.958 -1.127 7.646 1.00 5.56 H new ATOM 621 N THR A 42 -29.488 -4.113 10.681 1.00 4.43 N ATOM 622 CA THR A 42 -30.301 -5.080 11.403 1.00 4.86 C ATOM 623 C THR A 42 -29.443 -5.903 12.371 1.00 4.64 C ATOM 624 O THR A 42 -29.333 -5.575 13.555 1.00 4.68 O ATOM 625 CB THR A 42 -31.054 -6.009 10.426 1.00 5.21 C ATOM 626 OG1 THR A 42 -31.848 -5.232 9.518 1.00 5.55 O ATOM 627 CG2 THR A 42 -31.944 -6.992 11.168 1.00 5.93 C ATOM 0 H THR A 42 -29.721 -3.142 10.891 1.00 4.43 H new ATOM 0 HA THR A 42 -31.038 -4.526 11.984 1.00 4.86 H new ATOM 0 HB THR A 42 -30.309 -6.576 9.868 1.00 5.21 H new ATOM 0 HG1 THR A 42 -32.320 -5.830 8.902 1.00 5.55 H new ATOM 0 HG21 THR A 42 -32.459 -7.630 10.450 1.00 5.93 H new ATOM 0 HG22 THR A 42 -31.334 -7.608 11.829 1.00 5.93 H new ATOM 0 HG23 THR A 42 -32.678 -6.444 11.758 1.00 5.93 H new ATOM 635 N GLN A 43 -28.811 -6.950 11.853 1.00 4.73 N ATOM 636 CA GLN A 43 -27.951 -7.817 12.646 1.00 4.79 C ATOM 637 C GLN A 43 -26.762 -8.279 11.811 1.00 4.45 C ATOM 638 O GLN A 43 -26.081 -9.244 12.158 1.00 4.74 O ATOM 639 CB GLN A 43 -28.733 -9.038 13.150 1.00 5.52 C ATOM 640 CG GLN A 43 -29.629 -8.759 14.346 1.00 5.96 C ATOM 641 CD GLN A 43 -28.838 -8.452 15.602 1.00 6.23 C ATOM 642 OE1 GLN A 43 -27.720 -8.939 15.781 1.00 6.39 O ATOM 643 NE2 GLN A 43 -29.415 -7.654 16.482 1.00 6.63 N ATOM 0 H GLN A 43 -28.881 -7.221 10.872 1.00 4.73 H new ATOM 0 HA GLN A 43 -27.591 -7.251 13.505 1.00 4.79 H new ATOM 0 HB2 GLN A 43 -29.345 -9.424 12.335 1.00 5.52 H new ATOM 0 HB3 GLN A 43 -28.025 -9.823 13.417 1.00 5.52 H new ATOM 0 HG2 GLN A 43 -30.284 -7.918 14.118 1.00 5.96 H new ATOM 0 HG3 GLN A 43 -30.270 -9.622 14.526 1.00 5.96 H new ATOM 0 HE21 GLN A 43 -30.342 -7.273 16.294 1.00 6.63 H new ATOM 0 HE22 GLN A 43 -28.934 -7.419 17.350 1.00 6.63 H new ATOM 652 N HIS A 44 -26.522 -7.590 10.702 1.00 4.15 N ATOM 653 CA HIS A 44 -25.469 -7.983 9.778 1.00 4.05 C ATOM 654 C HIS A 44 -24.452 -6.865 9.598 1.00 3.55 C ATOM 655 O HIS A 44 -24.783 -5.787 9.102 1.00 3.72 O ATOM 656 CB HIS A 44 -26.046 -8.344 8.406 1.00 4.61 C ATOM 657 CG HIS A 44 -26.979 -9.515 8.405 1.00 5.23 C ATOM 658 ND1 HIS A 44 -26.574 -10.806 8.144 1.00 5.76 N ATOM 659 CD2 HIS A 44 -28.315 -9.575 8.607 1.00 5.72 C ATOM 660 CE1 HIS A 44 -27.623 -11.608 8.184 1.00 6.54 C ATOM 661 NE2 HIS A 44 -28.691 -10.886 8.463 1.00 6.49 N ATOM 0 H HIS A 44 -27.042 -6.758 10.422 1.00 4.15 H new ATOM 0 HA HIS A 44 -24.978 -8.856 10.208 1.00 4.05 H new ATOM 0 HB2 HIS A 44 -26.574 -7.477 8.010 1.00 4.61 H new ATOM 0 HB3 HIS A 44 -25.222 -8.554 7.725 1.00 4.61 H new ATOM 0 HD2 HIS A 44 -28.965 -8.744 8.839 1.00 5.72 H new ATOM 0 HE1 HIS A 44 -27.609 -12.675 8.017 1.00 6.54 H new ATOM 0 HE2 HIS A 44 -29.641 -11.244 8.556 1.00 6.49 H new ATOM 670 N ILE A 45 -23.221 -7.125 10.006 1.00 3.31 N ATOM 671 CA ILE A 45 -22.118 -6.227 9.711 1.00 3.06 C ATOM 672 C ILE A 45 -21.447 -6.689 8.428 1.00 2.33 C ATOM 673 O ILE A 45 -21.558 -7.856 8.045 1.00 2.50 O ATOM 674 CB ILE A 45 -21.088 -6.162 10.871 1.00 3.87 C ATOM 675 CG1 ILE A 45 -19.887 -5.270 10.532 1.00 4.51 C ATOM 676 CG2 ILE A 45 -20.615 -7.553 11.250 1.00 4.43 C ATOM 677 CD1 ILE A 45 -20.233 -3.803 10.402 1.00 5.17 C ATOM 0 H ILE A 45 -22.961 -7.952 10.543 1.00 3.31 H new ATOM 0 HA ILE A 45 -22.514 -5.219 9.590 1.00 3.06 H new ATOM 0 HB ILE A 45 -21.600 -5.715 11.723 1.00 3.87 H new ATOM 0 HG12 ILE A 45 -19.129 -5.388 11.306 1.00 4.51 H new ATOM 0 HG13 ILE A 45 -19.444 -5.613 9.597 1.00 4.51 H new ATOM 0 HG21 ILE A 45 -19.894 -7.483 12.065 1.00 4.43 H new ATOM 0 HG22 ILE A 45 -21.467 -8.152 11.570 1.00 4.43 H new ATOM 0 HG23 ILE A 45 -20.143 -8.024 10.388 1.00 4.43 H new ATOM 0 HD11 ILE A 45 -19.333 -3.237 10.162 1.00 5.17 H new ATOM 0 HD12 ILE A 45 -20.968 -3.671 9.608 1.00 5.17 H new ATOM 0 HD13 ILE A 45 -20.648 -3.442 11.343 1.00 5.17 H new ATOM 689 N GLY A 46 -20.758 -5.787 7.772 1.00 2.18 N ATOM 690 CA GLY A 46 -20.176 -6.105 6.489 1.00 2.10 C ATOM 691 C GLY A 46 -19.504 -4.925 5.834 1.00 1.86 C ATOM 692 O GLY A 46 -18.298 -4.947 5.610 1.00 2.51 O ATOM 0 H GLY A 46 -20.587 -4.836 8.100 1.00 2.18 H new ATOM 0 HA2 GLY A 46 -19.447 -6.906 6.616 1.00 2.10 H new ATOM 0 HA3 GLY A 46 -20.955 -6.485 5.828 1.00 2.10 H new ATOM 696 N ALA A 47 -20.275 -3.888 5.520 1.00 1.36 N ATOM 697 CA ALA A 47 -19.722 -2.732 4.828 1.00 1.12 C ATOM 698 C ALA A 47 -20.667 -1.544 4.851 1.00 1.01 C ATOM 699 O ALA A 47 -21.763 -1.606 5.417 1.00 1.17 O ATOM 700 CB ALA A 47 -19.399 -3.084 3.389 1.00 1.29 C ATOM 0 H ALA A 47 -21.271 -3.825 5.731 1.00 1.36 H new ATOM 0 HA ALA A 47 -18.811 -2.451 5.357 1.00 1.12 H new ATOM 0 HB1 ALA A 47 -18.987 -2.210 2.884 1.00 1.29 H new ATOM 0 HB2 ALA A 47 -18.669 -3.894 3.367 1.00 1.29 H new ATOM 0 HB3 ALA A 47 -20.309 -3.402 2.879 1.00 1.29 H new ATOM 706 N TYR A 48 -20.225 -0.471 4.216 1.00 0.85 N ATOM 707 CA TYR A 48 -20.987 0.760 4.115 1.00 0.89 C ATOM 708 C TYR A 48 -20.503 1.543 2.907 1.00 0.81 C ATOM 709 O TYR A 48 -19.378 1.340 2.449 1.00 0.73 O ATOM 710 CB TYR A 48 -20.820 1.600 5.376 1.00 0.97 C ATOM 711 CG TYR A 48 -19.408 2.077 5.586 1.00 0.94 C ATOM 712 CD1 TYR A 48 -18.407 1.190 5.937 1.00 0.92 C ATOM 713 CD2 TYR A 48 -19.082 3.417 5.441 1.00 1.20 C ATOM 714 CE1 TYR A 48 -17.114 1.620 6.135 1.00 1.15 C ATOM 715 CE2 TYR A 48 -17.789 3.858 5.634 1.00 1.40 C ATOM 716 CZ TYR A 48 -16.808 2.956 5.983 1.00 1.37 C ATOM 717 OH TYR A 48 -15.517 3.388 6.179 1.00 1.70 O ATOM 0 H TYR A 48 -19.318 -0.431 3.752 1.00 0.85 H new ATOM 0 HA TYR A 48 -22.044 0.518 4.003 1.00 0.89 H new ATOM 0 HB2 TYR A 48 -21.484 2.463 5.321 1.00 0.97 H new ATOM 0 HB3 TYR A 48 -21.131 1.013 6.240 1.00 0.97 H new ATOM 0 HD1 TYR A 48 -18.643 0.143 6.058 1.00 0.92 H new ATOM 0 HD2 TYR A 48 -19.852 4.126 5.173 1.00 1.20 H new ATOM 0 HE1 TYR A 48 -16.343 0.914 6.408 1.00 1.15 H new ATOM 0 HE2 TYR A 48 -17.548 4.904 5.512 1.00 1.40 H new ATOM 0 HH TYR A 48 -15.236 3.936 5.417 1.00 1.70 H new ATOM 727 N GLN A 49 -21.332 2.435 2.397 1.00 0.91 N ATOM 728 CA GLN A 49 -20.961 3.216 1.230 1.00 0.89 C ATOM 729 C GLN A 49 -20.593 4.641 1.624 1.00 0.90 C ATOM 730 O GLN A 49 -21.177 5.221 2.544 1.00 1.02 O ATOM 731 CB GLN A 49 -22.097 3.234 0.206 1.00 1.02 C ATOM 732 CG GLN A 49 -22.547 1.847 -0.219 1.00 1.09 C ATOM 733 CD GLN A 49 -23.489 1.880 -1.408 1.00 1.45 C ATOM 734 OE1 GLN A 49 -23.388 2.749 -2.271 1.00 1.87 O ATOM 735 NE2 GLN A 49 -24.426 0.946 -1.448 1.00 1.91 N ATOM 0 H GLN A 49 -22.260 2.636 2.769 1.00 0.91 H new ATOM 0 HA GLN A 49 -20.089 2.744 0.777 1.00 0.89 H new ATOM 0 HB2 GLN A 49 -22.947 3.771 0.627 1.00 1.02 H new ATOM 0 HB3 GLN A 49 -21.774 3.789 -0.675 1.00 1.02 H new ATOM 0 HG2 GLN A 49 -21.673 1.246 -0.469 1.00 1.09 H new ATOM 0 HG3 GLN A 49 -23.042 1.357 0.619 1.00 1.09 H new ATOM 0 HE21 GLN A 49 -24.476 0.242 -0.712 1.00 1.91 H new ATOM 0 HE22 GLN A 49 -25.098 0.930 -2.215 1.00 1.91 H new ATOM 744 N VAL A 50 -19.590 5.180 0.952 1.00 0.85 N ATOM 745 CA VAL A 50 -19.226 6.578 1.127 1.00 0.91 C ATOM 746 C VAL A 50 -20.010 7.450 0.154 1.00 0.96 C ATOM 747 O VAL A 50 -20.218 7.082 -0.995 1.00 1.01 O ATOM 748 CB VAL A 50 -17.720 6.820 0.917 1.00 0.93 C ATOM 749 CG1 VAL A 50 -17.335 8.249 1.280 1.00 1.53 C ATOM 750 CG2 VAL A 50 -16.895 5.831 1.723 1.00 1.34 C ATOM 0 H VAL A 50 -19.013 4.673 0.281 1.00 0.85 H new ATOM 0 HA VAL A 50 -19.471 6.844 2.155 1.00 0.91 H new ATOM 0 HB VAL A 50 -17.507 6.668 -0.141 1.00 0.93 H new ATOM 0 HG11 VAL A 50 -16.266 8.389 1.121 1.00 1.53 H new ATOM 0 HG12 VAL A 50 -17.890 8.946 0.652 1.00 1.53 H new ATOM 0 HG13 VAL A 50 -17.574 8.435 2.327 1.00 1.53 H new ATOM 0 HG21 VAL A 50 -15.835 6.022 1.558 1.00 1.34 H new ATOM 0 HG22 VAL A 50 -17.124 5.945 2.783 1.00 1.34 H new ATOM 0 HG23 VAL A 50 -17.134 4.815 1.407 1.00 1.34 H new ATOM 760 N THR A 51 -20.400 8.615 0.628 1.00 1.09 N ATOM 761 CA THR A 51 -21.305 9.509 -0.088 1.00 1.16 C ATOM 762 C THR A 51 -21.190 10.918 0.488 1.00 1.19 C ATOM 763 O THR A 51 -21.904 11.282 1.420 1.00 1.28 O ATOM 764 CB THR A 51 -22.770 9.029 0.027 1.00 1.29 C ATOM 765 OG1 THR A 51 -22.885 7.676 -0.438 1.00 1.51 O ATOM 766 CG2 THR A 51 -23.701 9.921 -0.783 1.00 1.42 C ATOM 0 H THR A 51 -20.097 8.978 1.532 1.00 1.09 H new ATOM 0 HA THR A 51 -21.023 9.509 -1.141 1.00 1.16 H new ATOM 0 HB THR A 51 -23.059 9.081 1.077 1.00 1.29 H new ATOM 0 HG1 THR A 51 -22.327 7.555 -1.234 1.00 1.51 H new ATOM 0 HG21 THR A 51 -24.725 9.562 -0.685 1.00 1.42 H new ATOM 0 HG22 THR A 51 -23.638 10.944 -0.412 1.00 1.42 H new ATOM 0 HG23 THR A 51 -23.407 9.897 -1.832 1.00 1.42 H new ATOM 774 N VAL A 52 -20.232 11.679 -0.024 1.00 1.36 N ATOM 775 CA VAL A 52 -20.107 13.084 0.335 1.00 1.62 C ATOM 776 C VAL A 52 -21.100 13.896 -0.484 1.00 1.81 C ATOM 777 O VAL A 52 -21.879 14.691 0.039 1.00 2.11 O ATOM 778 CB VAL A 52 -18.669 13.613 0.099 1.00 1.88 C ATOM 779 CG1 VAL A 52 -18.206 13.328 -1.328 1.00 1.98 C ATOM 780 CG2 VAL A 52 -18.587 15.101 0.394 1.00 2.27 C ATOM 0 H VAL A 52 -19.532 11.347 -0.688 1.00 1.36 H new ATOM 0 HA VAL A 52 -20.322 13.187 1.399 1.00 1.62 H new ATOM 0 HB VAL A 52 -18.004 13.087 0.784 1.00 1.88 H new ATOM 0 HG11 VAL A 52 -17.194 13.710 -1.465 1.00 1.98 H new ATOM 0 HG12 VAL A 52 -18.215 12.253 -1.506 1.00 1.98 H new ATOM 0 HG13 VAL A 52 -18.878 13.818 -2.033 1.00 1.98 H new ATOM 0 HG21 VAL A 52 -17.569 15.451 0.222 1.00 2.27 H new ATOM 0 HG22 VAL A 52 -19.272 15.640 -0.261 1.00 2.27 H new ATOM 0 HG23 VAL A 52 -18.862 15.282 1.433 1.00 2.27 H new ATOM 790 N ASN A 53 -21.065 13.654 -1.776 1.00 1.81 N ATOM 791 CA ASN A 53 -21.971 14.245 -2.710 1.00 1.99 C ATOM 792 C ASN A 53 -22.944 13.181 -3.194 1.00 1.80 C ATOM 793 O ASN A 53 -24.143 13.249 -2.931 1.00 1.82 O ATOM 794 CB ASN A 53 -21.190 14.878 -3.875 1.00 2.39 C ATOM 795 CG ASN A 53 -19.970 14.095 -4.320 1.00 3.10 C ATOM 796 OD1 ASN A 53 -19.875 12.881 -4.132 1.00 3.68 O ATOM 797 ND2 ASN A 53 -19.027 14.785 -4.933 1.00 3.42 N ATOM 0 H ASN A 53 -20.387 13.025 -2.206 1.00 1.81 H new ATOM 0 HA ASN A 53 -22.541 15.042 -2.231 1.00 1.99 H new ATOM 0 HB2 ASN A 53 -21.862 14.992 -4.726 1.00 2.39 H new ATOM 0 HB3 ASN A 53 -20.875 15.879 -3.582 1.00 2.39 H new ATOM 0 HD21 ASN A 53 -18.187 14.314 -5.268 1.00 3.42 H new ATOM 0 HD22 ASN A 53 -19.139 15.789 -5.072 1.00 3.42 H new ATOM 804 N ASP A 54 -22.391 12.190 -3.878 1.00 1.81 N ATOM 805 CA ASP A 54 -23.122 10.992 -4.288 1.00 1.82 C ATOM 806 C ASP A 54 -22.166 10.013 -4.957 1.00 2.08 C ATOM 807 O ASP A 54 -22.275 9.699 -6.140 1.00 2.23 O ATOM 808 CB ASP A 54 -24.270 11.345 -5.212 1.00 2.01 C ATOM 809 CG ASP A 54 -25.094 10.142 -5.648 1.00 2.47 C ATOM 810 OD1 ASP A 54 -25.577 9.397 -4.774 1.00 2.99 O ATOM 811 OD2 ASP A 54 -25.259 9.940 -6.871 1.00 2.69 O ATOM 0 H ASP A 54 -21.413 12.192 -4.168 1.00 1.81 H new ATOM 0 HA ASP A 54 -23.548 10.520 -3.403 1.00 1.82 H new ATOM 0 HB2 ASP A 54 -24.923 12.059 -4.710 1.00 2.01 H new ATOM 0 HB3 ASP A 54 -23.873 11.843 -6.097 1.00 2.01 H new ATOM 816 N LYS A 55 -21.192 9.573 -4.190 1.00 2.27 N ATOM 817 CA LYS A 55 -20.240 8.589 -4.660 1.00 2.75 C ATOM 818 C LYS A 55 -20.678 7.214 -4.184 1.00 1.92 C ATOM 819 O LYS A 55 -21.559 7.111 -3.326 1.00 2.45 O ATOM 820 CB LYS A 55 -18.835 8.940 -4.154 1.00 4.02 C ATOM 821 CG LYS A 55 -18.310 10.246 -4.738 1.00 5.04 C ATOM 822 CD LYS A 55 -17.010 10.705 -4.093 1.00 5.92 C ATOM 823 CE LYS A 55 -16.537 12.015 -4.714 1.00 6.66 C ATOM 824 NZ LYS A 55 -15.266 12.521 -4.123 1.00 7.36 N ATOM 0 H LYS A 55 -21.038 9.884 -3.231 1.00 2.27 H new ATOM 0 HA LYS A 55 -20.206 8.585 -5.749 1.00 2.75 H new ATOM 0 HB2 LYS A 55 -18.853 9.014 -3.067 1.00 4.02 H new ATOM 0 HB3 LYS A 55 -18.149 8.132 -4.407 1.00 4.02 H new ATOM 0 HG2 LYS A 55 -18.154 10.122 -5.810 1.00 5.04 H new ATOM 0 HG3 LYS A 55 -19.065 11.023 -4.614 1.00 5.04 H new ATOM 0 HD2 LYS A 55 -17.156 10.836 -3.021 1.00 5.92 H new ATOM 0 HD3 LYS A 55 -16.245 9.939 -4.219 1.00 5.92 H new ATOM 0 HE2 LYS A 55 -16.400 11.873 -5.786 1.00 6.66 H new ATOM 0 HE3 LYS A 55 -17.314 12.770 -4.589 1.00 6.66 H new ATOM 0 HZ1 LYS A 55 -14.635 12.847 -4.883 1.00 7.36 H new ATOM 0 HZ2 LYS A 55 -15.473 13.313 -3.481 1.00 7.36 H new ATOM 0 HZ3 LYS A 55 -14.802 11.757 -3.592 1.00 7.36 H new ATOM 838 N LYS A 56 -20.101 6.164 -4.745 1.00 1.27 N ATOM 839 CA LYS A 56 -20.467 4.816 -4.352 1.00 1.10 C ATOM 840 C LYS A 56 -19.220 3.990 -4.082 1.00 1.03 C ATOM 841 O LYS A 56 -18.777 3.208 -4.919 1.00 1.91 O ATOM 842 CB LYS A 56 -21.339 4.163 -5.433 1.00 1.91 C ATOM 843 CG LYS A 56 -22.558 4.993 -5.796 1.00 2.63 C ATOM 844 CD LYS A 56 -23.517 4.250 -6.710 1.00 3.33 C ATOM 845 CE LYS A 56 -24.604 5.178 -7.234 1.00 3.92 C ATOM 846 NZ LYS A 56 -25.405 5.797 -6.136 1.00 4.46 N ATOM 0 H LYS A 56 -19.383 6.219 -5.468 1.00 1.27 H new ATOM 0 HA LYS A 56 -21.049 4.862 -3.432 1.00 1.10 H new ATOM 0 HB2 LYS A 56 -20.738 4.001 -6.328 1.00 1.91 H new ATOM 0 HB3 LYS A 56 -21.665 3.182 -5.086 1.00 1.91 H new ATOM 0 HG2 LYS A 56 -23.081 5.283 -4.884 1.00 2.63 H new ATOM 0 HG3 LYS A 56 -22.235 5.913 -6.284 1.00 2.63 H new ATOM 0 HD2 LYS A 56 -22.967 3.820 -7.547 1.00 3.33 H new ATOM 0 HD3 LYS A 56 -23.972 3.421 -6.168 1.00 3.33 H new ATOM 0 HE2 LYS A 56 -24.147 5.965 -7.834 1.00 3.92 H new ATOM 0 HE3 LYS A 56 -25.268 4.619 -7.893 1.00 3.92 H new ATOM 0 HZ1 LYS A 56 -26.213 6.310 -6.543 1.00 4.46 H new ATOM 0 HZ2 LYS A 56 -25.753 5.053 -5.498 1.00 4.46 H new ATOM 0 HZ3 LYS A 56 -24.808 6.460 -5.602 1.00 4.46 H new ATOM 860 N ILE A 57 -18.661 4.179 -2.899 1.00 0.92 N ATOM 861 CA ILE A 57 -17.477 3.443 -2.482 1.00 0.72 C ATOM 862 C ILE A 57 -17.809 2.609 -1.263 1.00 0.69 C ATOM 863 O ILE A 57 -18.082 3.144 -0.189 1.00 0.80 O ATOM 864 CB ILE A 57 -16.302 4.390 -2.156 1.00 0.65 C ATOM 865 CG1 ILE A 57 -16.103 5.403 -3.290 1.00 0.73 C ATOM 866 CG2 ILE A 57 -15.030 3.586 -1.936 1.00 0.71 C ATOM 867 CD1 ILE A 57 -15.062 6.463 -2.991 1.00 0.75 C ATOM 0 H ILE A 57 -19.010 4.840 -2.205 1.00 0.92 H new ATOM 0 HA ILE A 57 -17.170 2.801 -3.307 1.00 0.72 H new ATOM 0 HB ILE A 57 -16.535 4.936 -1.242 1.00 0.65 H new ATOM 0 HG12 ILE A 57 -15.814 4.868 -4.195 1.00 0.73 H new ATOM 0 HG13 ILE A 57 -17.055 5.891 -3.499 1.00 0.73 H new ATOM 0 HG21 ILE A 57 -14.207 4.263 -1.707 1.00 0.71 H new ATOM 0 HG22 ILE A 57 -15.175 2.896 -1.105 1.00 0.71 H new ATOM 0 HG23 ILE A 57 -14.795 3.022 -2.839 1.00 0.71 H new ATOM 0 HD11 ILE A 57 -14.979 7.141 -3.840 1.00 0.75 H new ATOM 0 HD12 ILE A 57 -15.359 7.025 -2.105 1.00 0.75 H new ATOM 0 HD13 ILE A 57 -14.098 5.986 -2.812 1.00 0.75 H new ATOM 879 N THR A 58 -17.806 1.300 -1.438 1.00 0.71 N ATOM 880 CA THR A 58 -18.213 0.403 -0.378 1.00 0.71 C ATOM 881 C THR A 58 -17.000 -0.181 0.343 1.00 0.71 C ATOM 882 O THR A 58 -16.387 -1.142 -0.119 1.00 0.82 O ATOM 883 CB THR A 58 -19.077 -0.740 -0.939 1.00 0.85 C ATOM 884 OG1 THR A 58 -19.988 -0.215 -1.916 1.00 0.96 O ATOM 885 CG2 THR A 58 -19.864 -1.420 0.171 1.00 0.86 C ATOM 0 H THR A 58 -17.526 0.838 -2.303 1.00 0.71 H new ATOM 0 HA THR A 58 -18.800 0.980 0.336 1.00 0.71 H new ATOM 0 HB THR A 58 -18.419 -1.477 -1.400 1.00 0.85 H new ATOM 0 HG1 THR A 58 -20.538 -0.943 -2.275 1.00 0.96 H new ATOM 0 HG21 THR A 58 -20.467 -2.224 -0.251 1.00 0.86 H new ATOM 0 HG22 THR A 58 -19.173 -1.832 0.907 1.00 0.86 H new ATOM 0 HG23 THR A 58 -20.516 -0.692 0.653 1.00 0.86 H new ATOM 893 N PHE A 59 -16.643 0.442 1.455 1.00 0.67 N ATOM 894 CA PHE A 59 -15.571 -0.054 2.323 1.00 0.77 C ATOM 895 C PHE A 59 -16.014 -1.325 3.051 1.00 0.96 C ATOM 896 O PHE A 59 -16.997 -1.307 3.791 1.00 1.57 O ATOM 897 CB PHE A 59 -15.171 1.012 3.353 1.00 0.80 C ATOM 898 CG PHE A 59 -14.364 2.154 2.796 1.00 0.72 C ATOM 899 CD1 PHE A 59 -14.843 2.930 1.755 1.00 1.04 C ATOM 900 CD2 PHE A 59 -13.127 2.462 3.337 1.00 1.07 C ATOM 901 CE1 PHE A 59 -14.100 3.986 1.261 1.00 1.06 C ATOM 902 CE2 PHE A 59 -12.381 3.513 2.846 1.00 1.10 C ATOM 903 CZ PHE A 59 -12.868 4.276 1.807 1.00 0.80 C ATOM 0 H PHE A 59 -17.082 1.302 1.786 1.00 0.67 H new ATOM 0 HA PHE A 59 -14.710 -0.283 1.695 1.00 0.77 H new ATOM 0 HB2 PHE A 59 -16.075 1.413 3.810 1.00 0.80 H new ATOM 0 HB3 PHE A 59 -14.598 0.533 4.147 1.00 0.80 H new ATOM 0 HD1 PHE A 59 -15.808 2.708 1.324 1.00 1.04 H new ATOM 0 HD2 PHE A 59 -12.741 1.871 4.155 1.00 1.07 H new ATOM 0 HE1 PHE A 59 -14.485 4.583 0.448 1.00 1.06 H new ATOM 0 HE2 PHE A 59 -11.416 3.738 3.275 1.00 1.10 H new ATOM 0 HZ PHE A 59 -12.286 5.100 1.421 1.00 0.80 H new ATOM 913 N LEU A 60 -15.285 -2.415 2.839 1.00 1.19 N ATOM 914 CA LEU A 60 -15.632 -3.710 3.429 1.00 1.38 C ATOM 915 C LEU A 60 -14.915 -3.959 4.754 1.00 1.95 C ATOM 916 O LEU A 60 -13.748 -3.602 4.911 1.00 2.65 O ATOM 917 CB LEU A 60 -15.307 -4.845 2.453 1.00 1.84 C ATOM 918 CG LEU A 60 -16.486 -5.352 1.617 1.00 2.35 C ATOM 919 CD1 LEU A 60 -17.550 -5.960 2.519 1.00 2.89 C ATOM 920 CD2 LEU A 60 -17.079 -4.233 0.773 1.00 3.21 C ATOM 0 H LEU A 60 -14.445 -2.431 2.260 1.00 1.19 H new ATOM 0 HA LEU A 60 -16.703 -3.687 3.630 1.00 1.38 H new ATOM 0 HB2 LEU A 60 -14.523 -4.506 1.776 1.00 1.84 H new ATOM 0 HB3 LEU A 60 -14.899 -5.682 3.019 1.00 1.84 H new ATOM 0 HG LEU A 60 -16.117 -6.123 0.941 1.00 2.35 H new ATOM 0 HD11 LEU A 60 -18.382 -6.316 1.911 1.00 2.89 H new ATOM 0 HD12 LEU A 60 -17.123 -6.795 3.074 1.00 2.89 H new ATOM 0 HD13 LEU A 60 -17.909 -5.205 3.219 1.00 2.89 H new ATOM 0 HD21 LEU A 60 -17.914 -4.621 0.190 1.00 3.21 H new ATOM 0 HD22 LEU A 60 -17.432 -3.434 1.425 1.00 3.21 H new ATOM 0 HD23 LEU A 60 -16.316 -3.842 0.099 1.00 3.21 H new ATOM 932 N ASP A 61 -15.627 -4.593 5.685 1.00 2.43 N ATOM 933 CA ASP A 61 -15.091 -4.926 7.010 1.00 3.40 C ATOM 934 C ASP A 61 -13.887 -5.850 6.904 1.00 3.45 C ATOM 935 O ASP A 61 -12.782 -5.488 7.310 1.00 3.73 O ATOM 936 CB ASP A 61 -16.174 -5.599 7.862 1.00 4.36 C ATOM 937 CG ASP A 61 -15.708 -5.925 9.268 1.00 5.14 C ATOM 938 OD1 ASP A 61 -15.001 -6.939 9.451 1.00 5.55 O ATOM 939 OD2 ASP A 61 -16.052 -5.177 10.201 1.00 5.61 O ATOM 0 H ASP A 61 -16.592 -4.892 5.545 1.00 2.43 H new ATOM 0 HA ASP A 61 -14.773 -3.997 7.483 1.00 3.40 H new ATOM 0 HB2 ASP A 61 -17.044 -4.944 7.917 1.00 4.36 H new ATOM 0 HB3 ASP A 61 -16.496 -6.517 7.370 1.00 4.36 H new ATOM 944 N THR A 62 -14.116 -7.044 6.371 1.00 3.65 N ATOM 945 CA THR A 62 -13.058 -8.028 6.169 1.00 4.03 C ATOM 946 C THR A 62 -12.458 -8.488 7.502 1.00 4.27 C ATOM 947 O THR A 62 -11.453 -7.948 7.971 1.00 4.71 O ATOM 948 CB THR A 62 -11.945 -7.456 5.269 1.00 4.83 C ATOM 949 OG1 THR A 62 -12.544 -6.749 4.177 1.00 5.19 O ATOM 950 CG2 THR A 62 -11.051 -8.565 4.735 1.00 5.45 C ATOM 0 H THR A 62 -15.038 -7.358 6.067 1.00 3.65 H new ATOM 0 HA THR A 62 -13.508 -8.891 5.678 1.00 4.03 H new ATOM 0 HB THR A 62 -11.328 -6.779 5.860 1.00 4.83 H new ATOM 0 HG1 THR A 62 -12.036 -5.930 3.999 1.00 5.19 H new ATOM 0 HG21 THR A 62 -10.274 -8.134 4.103 1.00 5.45 H new ATOM 0 HG22 THR A 62 -10.589 -9.093 5.569 1.00 5.45 H new ATOM 0 HG23 THR A 62 -11.648 -9.264 4.150 1.00 5.45 H new ATOM 958 N PRO A 63 -13.083 -9.491 8.140 1.00 4.49 N ATOM 959 CA PRO A 63 -12.590 -10.063 9.390 1.00 5.20 C ATOM 960 C PRO A 63 -11.514 -11.122 9.156 1.00 5.56 C ATOM 961 O PRO A 63 -10.809 -11.523 10.085 1.00 6.11 O ATOM 962 CB PRO A 63 -13.838 -10.709 10.014 1.00 5.69 C ATOM 963 CG PRO A 63 -14.959 -10.493 9.043 1.00 5.34 C ATOM 964 CD PRO A 63 -14.335 -10.122 7.728 1.00 4.58 C ATOM 0 HA PRO A 63 -12.124 -9.307 10.022 1.00 5.20 H new ATOM 0 HB2 PRO A 63 -13.677 -11.773 10.191 1.00 5.69 H new ATOM 0 HB3 PRO A 63 -14.068 -10.257 10.979 1.00 5.69 H new ATOM 0 HG2 PRO A 63 -15.562 -11.396 8.943 1.00 5.34 H new ATOM 0 HG3 PRO A 63 -15.624 -9.703 9.391 1.00 5.34 H new ATOM 0 HD2 PRO A 63 -14.162 -10.996 7.100 1.00 4.58 H new ATOM 0 HD3 PRO A 63 -14.965 -9.440 7.158 1.00 4.58 H new ATOM 972 N GLY A 64 -11.396 -11.570 7.912 1.00 5.49 N ATOM 973 CA GLY A 64 -10.445 -12.607 7.578 1.00 6.04 C ATOM 974 C GLY A 64 -11.120 -13.943 7.355 1.00 5.99 C ATOM 975 O GLY A 64 -12.097 -14.269 8.034 1.00 6.36 O ATOM 0 H GLY A 64 -11.948 -11.229 7.125 1.00 5.49 H new ATOM 0 HA2 GLY A 64 -9.898 -12.322 6.679 1.00 6.04 H new ATOM 0 HA3 GLY A 64 -9.713 -12.700 8.380 1.00 6.04 H new ATOM 979 N HIS A 65 -10.615 -14.709 6.395 1.00 5.85 N ATOM 980 CA HIS A 65 -11.161 -16.026 6.094 1.00 6.04 C ATOM 981 C HIS A 65 -10.176 -16.825 5.247 1.00 5.42 C ATOM 982 O HIS A 65 -9.647 -17.842 5.689 1.00 5.51 O ATOM 983 CB HIS A 65 -12.513 -15.895 5.377 1.00 6.53 C ATOM 984 CG HIS A 65 -13.262 -17.186 5.215 1.00 7.30 C ATOM 985 ND1 HIS A 65 -13.252 -18.195 6.155 1.00 8.05 N ATOM 986 CD2 HIS A 65 -14.061 -17.619 4.218 1.00 7.71 C ATOM 987 CE1 HIS A 65 -14.013 -19.187 5.741 1.00 8.78 C ATOM 988 NE2 HIS A 65 -14.522 -18.865 4.566 1.00 8.61 N ATOM 0 H HIS A 65 -9.825 -14.439 5.810 1.00 5.85 H new ATOM 0 HA HIS A 65 -11.322 -16.560 7.030 1.00 6.04 H new ATOM 0 HB2 HIS A 65 -13.137 -15.195 5.932 1.00 6.53 H new ATOM 0 HB3 HIS A 65 -12.346 -15.461 4.391 1.00 6.53 H new ATOM 0 HD2 HIS A 65 -14.296 -17.083 3.310 1.00 7.71 H new ATOM 0 HE1 HIS A 65 -14.191 -20.110 6.274 1.00 8.78 H new ATOM 0 HE2 HIS A 65 -15.152 -19.444 4.010 1.00 8.61 H new ATOM 997 N GLU A 66 -9.926 -16.354 4.031 1.00 5.13 N ATOM 998 CA GLU A 66 -8.982 -17.013 3.137 1.00 4.83 C ATOM 999 C GLU A 66 -8.074 -15.997 2.435 1.00 4.30 C ATOM 1000 O GLU A 66 -6.853 -16.036 2.586 1.00 4.72 O ATOM 1001 CB GLU A 66 -9.721 -17.890 2.109 1.00 5.31 C ATOM 1002 CG GLU A 66 -11.196 -17.543 1.912 1.00 5.97 C ATOM 1003 CD GLU A 66 -11.414 -16.181 1.287 1.00 6.59 C ATOM 1004 OE1 GLU A 66 -11.318 -15.169 2.012 1.00 6.87 O ATOM 1005 OE2 GLU A 66 -11.666 -16.113 0.075 1.00 7.05 O ATOM 0 H GLU A 66 -10.364 -15.519 3.642 1.00 5.13 H new ATOM 0 HA GLU A 66 -8.348 -17.659 3.744 1.00 4.83 H new ATOM 0 HB2 GLU A 66 -9.212 -17.807 1.149 1.00 5.31 H new ATOM 0 HB3 GLU A 66 -9.646 -18.932 2.421 1.00 5.31 H new ATOM 0 HG2 GLU A 66 -11.659 -18.302 1.282 1.00 5.97 H new ATOM 0 HG3 GLU A 66 -11.702 -17.577 2.877 1.00 5.97 H new ATOM 1012 N ALA A 67 -8.672 -15.079 1.693 1.00 3.82 N ATOM 1013 CA ALA A 67 -7.915 -14.092 0.938 1.00 3.70 C ATOM 1014 C ALA A 67 -8.587 -12.726 0.990 1.00 2.58 C ATOM 1015 O ALA A 67 -8.106 -11.817 1.665 1.00 2.95 O ATOM 1016 CB ALA A 67 -7.740 -14.548 -0.504 1.00 4.55 C ATOM 0 H ALA A 67 -9.684 -14.996 1.597 1.00 3.82 H new ATOM 0 HA ALA A 67 -6.931 -13.998 1.396 1.00 3.70 H new ATOM 0 HB1 ALA A 67 -7.172 -13.799 -1.056 1.00 4.55 H new ATOM 0 HB2 ALA A 67 -7.204 -15.497 -0.523 1.00 4.55 H new ATOM 0 HB3 ALA A 67 -8.719 -14.675 -0.967 1.00 4.55 H new ATOM 1022 N PHE A 68 -9.692 -12.577 0.274 1.00 1.79 N ATOM 1023 CA PHE A 68 -10.429 -11.316 0.265 1.00 1.15 C ATOM 1024 C PHE A 68 -11.590 -11.361 1.253 1.00 1.77 C ATOM 1025 O PHE A 68 -12.103 -10.321 1.662 1.00 2.37 O ATOM 1026 CB PHE A 68 -10.981 -11.000 -1.127 1.00 1.18 C ATOM 1027 CG PHE A 68 -9.950 -10.728 -2.193 1.00 1.12 C ATOM 1028 CD1 PHE A 68 -9.112 -11.734 -2.662 1.00 1.08 C ATOM 1029 CD2 PHE A 68 -9.846 -9.463 -2.747 1.00 1.67 C ATOM 1030 CE1 PHE A 68 -8.190 -11.475 -3.660 1.00 1.52 C ATOM 1031 CE2 PHE A 68 -8.929 -9.202 -3.749 1.00 2.10 C ATOM 1032 CZ PHE A 68 -8.101 -10.209 -4.205 1.00 2.00 C ATOM 0 H PHE A 68 -10.099 -13.309 -0.307 1.00 1.79 H new ATOM 0 HA PHE A 68 -9.727 -10.535 0.556 1.00 1.15 H new ATOM 0 HB2 PHE A 68 -11.600 -11.837 -1.451 1.00 1.18 H new ATOM 0 HB3 PHE A 68 -11.635 -10.131 -1.050 1.00 1.18 H new ATOM 0 HD1 PHE A 68 -9.182 -12.727 -2.243 1.00 1.08 H new ATOM 0 HD2 PHE A 68 -10.489 -8.671 -2.392 1.00 1.67 H new ATOM 0 HE1 PHE A 68 -7.540 -12.262 -4.013 1.00 1.52 H new ATOM 0 HE2 PHE A 68 -8.860 -8.212 -4.174 1.00 2.10 H new ATOM 0 HZ PHE A 68 -7.384 -10.007 -4.987 1.00 2.00 H new ATOM 1042 N THR A 69 -12.008 -12.576 1.605 1.00 2.35 N ATOM 1043 CA THR A 69 -13.112 -12.806 2.543 1.00 3.31 C ATOM 1044 C THR A 69 -14.480 -12.534 1.906 1.00 3.54 C ATOM 1045 O THR A 69 -15.371 -13.389 1.940 1.00 3.89 O ATOM 1046 CB THR A 69 -12.951 -11.964 3.825 1.00 4.11 C ATOM 1047 OG1 THR A 69 -11.652 -12.189 4.391 1.00 4.46 O ATOM 1048 CG2 THR A 69 -14.019 -12.315 4.851 1.00 4.90 C ATOM 0 H THR A 69 -11.590 -13.435 1.247 1.00 2.35 H new ATOM 0 HA THR A 69 -13.070 -13.862 2.811 1.00 3.31 H new ATOM 0 HB THR A 69 -13.063 -10.913 3.558 1.00 4.11 H new ATOM 0 HG1 THR A 69 -11.552 -11.651 5.204 1.00 4.46 H new ATOM 0 HG21 THR A 69 -13.880 -11.706 5.744 1.00 4.90 H new ATOM 0 HG22 THR A 69 -15.006 -12.122 4.430 1.00 4.90 H new ATOM 0 HG23 THR A 69 -13.937 -13.369 5.115 1.00 4.90 H new ATOM 1056 N THR A 70 -14.640 -11.359 1.312 1.00 3.82 N ATOM 1057 CA THR A 70 -15.926 -10.937 0.771 1.00 4.35 C ATOM 1058 C THR A 70 -16.089 -11.372 -0.694 1.00 4.41 C ATOM 1059 O THR A 70 -17.026 -10.961 -1.383 1.00 4.95 O ATOM 1060 CB THR A 70 -16.079 -9.408 0.885 1.00 5.16 C ATOM 1061 OG1 THR A 70 -15.574 -8.972 2.156 1.00 5.40 O ATOM 1062 CG2 THR A 70 -17.537 -8.988 0.757 1.00 5.84 C ATOM 0 H THR A 70 -13.891 -10.677 1.192 1.00 3.82 H new ATOM 0 HA THR A 70 -16.707 -11.421 1.357 1.00 4.35 H new ATOM 0 HB THR A 70 -15.514 -8.948 0.074 1.00 5.16 H new ATOM 0 HG1 THR A 70 -15.520 -7.994 2.168 1.00 5.40 H new ATOM 0 HG21 THR A 70 -17.612 -7.904 0.842 1.00 5.84 H new ATOM 0 HG22 THR A 70 -17.923 -9.304 -0.212 1.00 5.84 H new ATOM 0 HG23 THR A 70 -18.121 -9.455 1.550 1.00 5.84 H new ATOM 1070 N MET A 71 -15.190 -12.220 -1.165 1.00 4.19 N ATOM 1071 CA MET A 71 -15.249 -12.695 -2.542 1.00 4.50 C ATOM 1072 C MET A 71 -16.285 -13.812 -2.676 1.00 4.86 C ATOM 1073 O MET A 71 -15.946 -14.991 -2.767 1.00 5.21 O ATOM 1074 CB MET A 71 -13.865 -13.166 -3.009 1.00 4.42 C ATOM 1075 CG MET A 71 -13.844 -13.717 -4.429 1.00 4.38 C ATOM 1076 SD MET A 71 -12.180 -14.092 -5.011 1.00 4.69 S ATOM 1077 CE MET A 71 -11.505 -12.443 -5.188 1.00 4.34 C ATOM 0 H MET A 71 -14.413 -12.594 -0.619 1.00 4.19 H new ATOM 0 HA MET A 71 -15.556 -11.869 -3.184 1.00 4.50 H new ATOM 0 HB2 MET A 71 -13.167 -12.331 -2.944 1.00 4.42 H new ATOM 0 HB3 MET A 71 -13.505 -13.936 -2.326 1.00 4.42 H new ATOM 0 HG2 MET A 71 -14.451 -14.622 -4.471 1.00 4.38 H new ATOM 0 HG3 MET A 71 -14.304 -12.993 -5.101 1.00 4.38 H new ATOM 0 HE1 MET A 71 -10.488 -12.506 -5.576 1.00 4.34 H new ATOM 0 HE2 MET A 71 -12.123 -11.869 -5.879 1.00 4.34 H new ATOM 0 HE3 MET A 71 -11.493 -11.949 -4.217 1.00 4.34 H new ATOM 1087 N ARG A 72 -17.555 -13.434 -2.670 1.00 5.04 N ATOM 1088 CA ARG A 72 -18.630 -14.401 -2.829 1.00 5.54 C ATOM 1089 C ARG A 72 -18.977 -14.538 -4.306 1.00 5.80 C ATOM 1090 O ARG A 72 -18.488 -15.435 -4.987 1.00 6.36 O ATOM 1091 CB ARG A 72 -19.864 -13.963 -2.041 1.00 5.95 C ATOM 1092 CG ARG A 72 -20.720 -15.120 -1.553 1.00 6.36 C ATOM 1093 CD ARG A 72 -20.008 -15.897 -0.460 1.00 6.73 C ATOM 1094 NE ARG A 72 -19.637 -15.027 0.656 1.00 7.09 N ATOM 1095 CZ ARG A 72 -18.382 -14.829 1.060 1.00 7.63 C ATOM 1096 NH1 ARG A 72 -17.380 -15.489 0.485 1.00 7.86 N ATOM 1097 NH2 ARG A 72 -18.129 -13.975 2.046 1.00 8.21 N ATOM 0 H ARG A 72 -17.865 -12.469 -2.557 1.00 5.04 H new ATOM 0 HA ARG A 72 -18.298 -15.365 -2.443 1.00 5.54 H new ATOM 0 HB2 ARG A 72 -19.545 -13.371 -1.183 1.00 5.95 H new ATOM 0 HB3 ARG A 72 -20.473 -13.312 -2.668 1.00 5.95 H new ATOM 0 HG2 ARG A 72 -21.670 -14.741 -1.176 1.00 6.36 H new ATOM 0 HG3 ARG A 72 -20.950 -15.784 -2.386 1.00 6.36 H new ATOM 0 HD2 ARG A 72 -20.654 -16.698 -0.100 1.00 6.73 H new ATOM 0 HD3 ARG A 72 -19.114 -16.368 -0.869 1.00 6.73 H new ATOM 0 HE ARG A 72 -20.383 -14.543 1.155 1.00 7.09 H new ATOM 0 HH11 ARG A 72 -17.570 -16.150 -0.268 1.00 7.86 H new ATOM 0 HH12 ARG A 72 -16.421 -15.334 0.798 1.00 7.86 H new ATOM 0 HH21 ARG A 72 -18.895 -13.471 2.493 1.00 8.21 H new ATOM 0 HH22 ARG A 72 -17.169 -13.823 2.355 1.00 8.21 H new ATOM 1111 N ALA A 73 -19.799 -13.627 -4.802 1.00 5.58 N ATOM 1112 CA ALA A 73 -20.099 -13.562 -6.221 1.00 6.01 C ATOM 1113 C ALA A 73 -19.472 -12.311 -6.806 1.00 5.86 C ATOM 1114 O ALA A 73 -18.957 -12.316 -7.927 1.00 6.36 O ATOM 1115 CB ALA A 73 -21.599 -13.572 -6.465 1.00 6.36 C ATOM 0 H ALA A 73 -20.272 -12.920 -4.239 1.00 5.58 H new ATOM 0 HA ALA A 73 -19.682 -14.442 -6.711 1.00 6.01 H new ATOM 0 HB1 ALA A 73 -21.794 -13.522 -7.536 1.00 6.36 H new ATOM 0 HB2 ALA A 73 -22.027 -14.489 -6.060 1.00 6.36 H new ATOM 0 HB3 ALA A 73 -22.053 -12.712 -5.974 1.00 6.36 H new ATOM 1121 N ARG A 74 -19.499 -11.243 -6.017 1.00 5.40 N ATOM 1122 CA ARG A 74 -18.867 -9.987 -6.387 1.00 5.50 C ATOM 1123 C ARG A 74 -17.364 -10.075 -6.142 1.00 5.18 C ATOM 1124 O ARG A 74 -16.801 -9.313 -5.359 1.00 5.49 O ATOM 1125 CB ARG A 74 -19.469 -8.830 -5.584 1.00 6.12 C ATOM 1126 CG ARG A 74 -20.975 -8.701 -5.741 1.00 6.76 C ATOM 1127 CD ARG A 74 -21.542 -7.636 -4.818 1.00 7.55 C ATOM 1128 NE ARG A 74 -21.181 -7.879 -3.424 1.00 8.14 N ATOM 1129 CZ ARG A 74 -22.052 -8.083 -2.438 1.00 8.93 C ATOM 1130 NH1 ARG A 74 -23.359 -8.089 -2.680 1.00 9.21 N ATOM 1131 NH2 ARG A 74 -21.606 -8.283 -1.204 1.00 9.65 N ATOM 0 H ARG A 74 -19.958 -11.225 -5.107 1.00 5.40 H new ATOM 0 HA ARG A 74 -19.045 -9.800 -7.446 1.00 5.50 H new ATOM 0 HB2 ARG A 74 -19.232 -8.969 -4.529 1.00 6.12 H new ATOM 0 HB3 ARG A 74 -18.998 -7.898 -5.896 1.00 6.12 H new ATOM 0 HG2 ARG A 74 -21.214 -8.452 -6.775 1.00 6.76 H new ATOM 0 HG3 ARG A 74 -21.448 -9.659 -5.526 1.00 6.76 H new ATOM 0 HD2 ARG A 74 -21.174 -6.657 -5.123 1.00 7.55 H new ATOM 0 HD3 ARG A 74 -22.628 -7.612 -4.914 1.00 7.55 H new ATOM 0 HE ARG A 74 -20.189 -7.893 -3.188 1.00 8.14 H new ATOM 0 HH11 ARG A 74 -23.703 -7.936 -3.628 1.00 9.21 H new ATOM 0 HH12 ARG A 74 -24.018 -8.246 -1.918 1.00 9.21 H new ATOM 0 HH21 ARG A 74 -20.603 -8.280 -1.017 1.00 9.65 H new ATOM 0 HH22 ARG A 74 -22.266 -8.440 -0.442 1.00 9.65 H new ATOM 1145 N GLY A 75 -16.736 -11.042 -6.791 1.00 4.93 N ATOM 1146 CA GLY A 75 -15.309 -11.225 -6.668 1.00 4.87 C ATOM 1147 C GLY A 75 -14.722 -11.879 -7.898 1.00 4.49 C ATOM 1148 O GLY A 75 -13.575 -12.313 -7.892 1.00 4.54 O ATOM 0 H GLY A 75 -17.198 -11.710 -7.408 1.00 4.93 H new ATOM 0 HA2 GLY A 75 -14.831 -10.259 -6.506 1.00 4.87 H new ATOM 0 HA3 GLY A 75 -15.095 -11.838 -5.792 1.00 4.87 H new ATOM 1152 N ALA A 76 -15.523 -11.955 -8.955 1.00 4.53 N ATOM 1153 CA ALA A 76 -15.075 -12.533 -10.213 1.00 4.52 C ATOM 1154 C ALA A 76 -14.253 -11.517 -10.991 1.00 3.91 C ATOM 1155 O ALA A 76 -13.341 -11.870 -11.741 1.00 4.15 O ATOM 1156 CB ALA A 76 -16.265 -13.002 -11.036 1.00 5.47 C ATOM 0 H ALA A 76 -16.487 -11.622 -8.964 1.00 4.53 H new ATOM 0 HA ALA A 76 -14.447 -13.398 -9.998 1.00 4.52 H new ATOM 0 HB1 ALA A 76 -15.912 -13.432 -11.974 1.00 5.47 H new ATOM 0 HB2 ALA A 76 -16.819 -13.756 -10.477 1.00 5.47 H new ATOM 0 HB3 ALA A 76 -16.917 -12.155 -11.248 1.00 5.47 H new ATOM 1162 N GLN A 77 -14.585 -10.247 -10.794 1.00 3.61 N ATOM 1163 CA GLN A 77 -13.857 -9.160 -11.423 1.00 3.40 C ATOM 1164 C GLN A 77 -12.683 -8.748 -10.544 1.00 2.90 C ATOM 1165 O GLN A 77 -12.803 -8.684 -9.323 1.00 3.33 O ATOM 1166 CB GLN A 77 -14.781 -7.959 -11.672 1.00 4.25 C ATOM 1167 CG GLN A 77 -15.417 -7.402 -10.407 1.00 4.87 C ATOM 1168 CD GLN A 77 -16.221 -6.142 -10.649 1.00 5.70 C ATOM 1169 OE1 GLN A 77 -16.793 -5.943 -11.722 1.00 6.14 O ATOM 1170 NE2 GLN A 77 -16.254 -5.272 -9.655 1.00 6.26 N ATOM 0 H GLN A 77 -15.358 -9.947 -10.200 1.00 3.61 H new ATOM 0 HA GLN A 77 -13.480 -9.505 -12.386 1.00 3.40 H new ATOM 0 HB2 GLN A 77 -14.211 -7.168 -12.159 1.00 4.25 H new ATOM 0 HB3 GLN A 77 -15.569 -8.256 -12.364 1.00 4.25 H new ATOM 0 HG2 GLN A 77 -16.066 -8.161 -9.970 1.00 4.87 H new ATOM 0 HG3 GLN A 77 -14.635 -7.192 -9.677 1.00 4.87 H new ATOM 0 HE21 GLN A 77 -15.767 -5.476 -8.783 1.00 6.26 H new ATOM 0 HE22 GLN A 77 -16.767 -4.397 -9.760 1.00 6.26 H new ATOM 1179 N VAL A 78 -11.549 -8.484 -11.166 1.00 2.65 N ATOM 1180 CA VAL A 78 -10.366 -8.062 -10.430 1.00 2.75 C ATOM 1181 C VAL A 78 -10.122 -6.573 -10.625 1.00 2.21 C ATOM 1182 O VAL A 78 -8.985 -6.111 -10.695 1.00 2.72 O ATOM 1183 CB VAL A 78 -9.119 -8.866 -10.850 1.00 3.65 C ATOM 1184 CG1 VAL A 78 -9.251 -10.310 -10.387 1.00 4.31 C ATOM 1185 CG2 VAL A 78 -8.915 -8.807 -12.360 1.00 4.21 C ATOM 0 H VAL A 78 -11.419 -8.553 -12.175 1.00 2.65 H new ATOM 0 HA VAL A 78 -10.548 -8.257 -9.373 1.00 2.75 H new ATOM 0 HB VAL A 78 -8.245 -8.420 -10.375 1.00 3.65 H new ATOM 0 HG11 VAL A 78 -8.366 -10.871 -10.688 1.00 4.31 H new ATOM 0 HG12 VAL A 78 -9.346 -10.337 -9.301 1.00 4.31 H new ATOM 0 HG13 VAL A 78 -10.136 -10.758 -10.840 1.00 4.31 H new ATOM 0 HG21 VAL A 78 -8.029 -9.382 -12.630 1.00 4.21 H new ATOM 0 HG22 VAL A 78 -9.787 -9.227 -12.862 1.00 4.21 H new ATOM 0 HG23 VAL A 78 -8.783 -7.770 -12.669 1.00 4.21 H new ATOM 1195 N THR A 79 -11.213 -5.830 -10.716 1.00 1.82 N ATOM 1196 CA THR A 79 -11.152 -4.390 -10.902 1.00 1.90 C ATOM 1197 C THR A 79 -11.347 -3.681 -9.566 1.00 1.53 C ATOM 1198 O THR A 79 -11.120 -2.475 -9.443 1.00 1.82 O ATOM 1199 CB THR A 79 -12.233 -3.932 -11.902 1.00 2.70 C ATOM 1200 OG1 THR A 79 -12.247 -4.830 -13.021 1.00 3.20 O ATOM 1201 CG2 THR A 79 -11.966 -2.516 -12.397 1.00 3.41 C ATOM 0 H THR A 79 -12.160 -6.205 -10.663 1.00 1.82 H new ATOM 0 HA THR A 79 -10.172 -4.132 -11.302 1.00 1.90 H new ATOM 0 HB THR A 79 -13.197 -3.939 -11.394 1.00 2.70 H new ATOM 0 HG1 THR A 79 -12.933 -4.546 -13.660 1.00 3.20 H new ATOM 0 HG21 THR A 79 -12.746 -2.223 -13.100 1.00 3.41 H new ATOM 0 HG22 THR A 79 -11.964 -1.829 -11.551 1.00 3.41 H new ATOM 0 HG23 THR A 79 -10.997 -2.481 -12.895 1.00 3.41 H new ATOM 1209 N ASP A 80 -11.764 -4.444 -8.564 1.00 1.21 N ATOM 1210 CA ASP A 80 -11.964 -3.910 -7.225 1.00 1.14 C ATOM 1211 C ASP A 80 -10.624 -3.754 -6.525 1.00 0.88 C ATOM 1212 O ASP A 80 -9.629 -4.362 -6.920 1.00 1.12 O ATOM 1213 CB ASP A 80 -12.898 -4.811 -6.414 1.00 1.60 C ATOM 1214 CG ASP A 80 -14.285 -4.894 -7.023 1.00 2.14 C ATOM 1215 OD1 ASP A 80 -15.077 -3.946 -6.836 1.00 2.66 O ATOM 1216 OD2 ASP A 80 -14.580 -5.896 -7.704 1.00 2.60 O ATOM 0 H ASP A 80 -11.971 -5.439 -8.655 1.00 1.21 H new ATOM 0 HA ASP A 80 -12.434 -2.930 -7.306 1.00 1.14 H new ATOM 0 HB2 ASP A 80 -12.470 -5.812 -6.351 1.00 1.60 H new ATOM 0 HB3 ASP A 80 -12.972 -4.431 -5.395 1.00 1.60 H new ATOM 1221 N ILE A 81 -10.603 -2.947 -5.481 1.00 0.63 N ATOM 1222 CA ILE A 81 -9.353 -2.537 -4.866 1.00 0.42 C ATOM 1223 C ILE A 81 -9.291 -2.979 -3.411 1.00 0.38 C ATOM 1224 O ILE A 81 -10.326 -3.180 -2.773 1.00 0.57 O ATOM 1225 CB ILE A 81 -9.216 -1.002 -4.904 1.00 0.42 C ATOM 1226 CG1 ILE A 81 -9.749 -0.433 -6.221 1.00 0.56 C ATOM 1227 CG2 ILE A 81 -7.766 -0.603 -4.719 1.00 0.50 C ATOM 1228 CD1 ILE A 81 -9.850 1.077 -6.221 1.00 0.71 C ATOM 0 H ILE A 81 -11.438 -2.562 -5.040 1.00 0.63 H new ATOM 0 HA ILE A 81 -8.544 -3.005 -5.428 1.00 0.42 H new ATOM 0 HB ILE A 81 -9.810 -0.590 -4.088 1.00 0.42 H new ATOM 0 HG12 ILE A 81 -9.096 -0.747 -7.035 1.00 0.56 H new ATOM 0 HG13 ILE A 81 -10.733 -0.856 -6.420 1.00 0.56 H new ATOM 0 HG21 ILE A 81 -7.681 0.483 -4.748 1.00 0.50 H new ATOM 0 HG22 ILE A 81 -7.408 -0.970 -3.757 1.00 0.50 H new ATOM 0 HG23 ILE A 81 -7.165 -1.035 -5.519 1.00 0.50 H new ATOM 0 HD11 ILE A 81 -10.234 1.416 -7.183 1.00 0.71 H new ATOM 0 HD12 ILE A 81 -10.526 1.396 -5.428 1.00 0.71 H new ATOM 0 HD13 ILE A 81 -8.863 1.508 -6.052 1.00 0.71 H new ATOM 1240 N VAL A 82 -8.086 -3.120 -2.876 1.00 0.27 N ATOM 1241 CA VAL A 82 -7.943 -3.370 -1.453 1.00 0.28 C ATOM 1242 C VAL A 82 -7.062 -2.307 -0.827 1.00 0.23 C ATOM 1243 O VAL A 82 -6.009 -1.951 -1.355 1.00 0.26 O ATOM 1244 CB VAL A 82 -7.364 -4.758 -1.141 1.00 0.35 C ATOM 1245 CG1 VAL A 82 -6.081 -4.952 -1.895 1.00 1.02 C ATOM 1246 CG2 VAL A 82 -7.135 -4.926 0.362 1.00 1.17 C ATOM 0 H VAL A 82 -7.210 -3.067 -3.396 1.00 0.27 H new ATOM 0 HA VAL A 82 -8.946 -3.335 -1.028 1.00 0.28 H new ATOM 0 HB VAL A 82 -8.080 -5.516 -1.457 1.00 0.35 H new ATOM 0 HG11 VAL A 82 -5.673 -5.938 -1.671 1.00 1.02 H new ATOM 0 HG12 VAL A 82 -6.272 -4.873 -2.965 1.00 1.02 H new ATOM 0 HG13 VAL A 82 -5.364 -4.187 -1.597 1.00 1.02 H new ATOM 0 HG21 VAL A 82 -6.725 -5.916 0.559 1.00 1.17 H new ATOM 0 HG22 VAL A 82 -6.434 -4.167 0.710 1.00 1.17 H new ATOM 0 HG23 VAL A 82 -8.083 -4.814 0.889 1.00 1.17 H new ATOM 1256 N ILE A 83 -7.517 -1.798 0.286 1.00 0.22 N ATOM 1257 CA ILE A 83 -6.769 -0.846 1.063 1.00 0.19 C ATOM 1258 C ILE A 83 -5.925 -1.566 2.072 1.00 0.19 C ATOM 1259 O ILE A 83 -6.386 -2.487 2.744 1.00 0.24 O ATOM 1260 CB ILE A 83 -7.683 0.161 1.785 1.00 0.22 C ATOM 1261 CG1 ILE A 83 -8.323 1.054 0.744 1.00 0.27 C ATOM 1262 CG2 ILE A 83 -6.904 0.988 2.811 1.00 0.24 C ATOM 1263 CD1 ILE A 83 -9.070 2.238 1.319 1.00 0.37 C ATOM 0 H ILE A 83 -8.426 -2.035 0.683 1.00 0.22 H new ATOM 0 HA ILE A 83 -6.137 -0.286 0.373 1.00 0.19 H new ATOM 0 HB ILE A 83 -8.453 -0.379 2.336 1.00 0.22 H new ATOM 0 HG12 ILE A 83 -7.549 1.420 0.069 1.00 0.27 H new ATOM 0 HG13 ILE A 83 -9.013 0.459 0.145 1.00 0.27 H new ATOM 0 HG21 ILE A 83 -7.579 1.689 3.302 1.00 0.24 H new ATOM 0 HG22 ILE A 83 -6.465 0.324 3.556 1.00 0.24 H new ATOM 0 HG23 ILE A 83 -6.112 1.541 2.307 1.00 0.24 H new ATOM 0 HD11 ILE A 83 -9.498 2.827 0.508 1.00 0.37 H new ATOM 0 HD12 ILE A 83 -9.868 1.883 1.971 1.00 0.37 H new ATOM 0 HD13 ILE A 83 -8.382 2.858 1.893 1.00 0.37 H new ATOM 1275 N LEU A 84 -4.693 -1.149 2.165 1.00 0.19 N ATOM 1276 CA LEU A 84 -3.789 -1.728 3.104 1.00 0.23 C ATOM 1277 C LEU A 84 -3.384 -0.647 4.103 1.00 0.24 C ATOM 1278 O LEU A 84 -2.634 0.274 3.777 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.598 -2.344 2.355 1.00 0.39 C ATOM 1280 CG LEU A 84 -1.468 -2.920 3.211 1.00 0.31 C ATOM 1281 CD1 LEU A 84 -0.538 -1.811 3.636 1.00 0.91 C ATOM 1282 CD2 LEU A 84 -2.007 -3.669 4.426 1.00 1.01 C ATOM 0 H LEU A 84 -4.295 -0.403 1.594 1.00 0.19 H new ATOM 0 HA LEU A 84 -4.253 -2.540 3.664 1.00 0.23 H new ATOM 0 HB2 LEU A 84 -2.976 -3.139 1.711 1.00 0.39 H new ATOM 0 HB3 LEU A 84 -2.175 -1.580 1.703 1.00 0.39 H new ATOM 0 HG LEU A 84 -0.916 -3.641 2.608 1.00 0.31 H new ATOM 0 HD11 LEU A 84 0.266 -2.224 4.246 1.00 0.91 H new ATOM 0 HD12 LEU A 84 -0.115 -1.333 2.753 1.00 0.91 H new ATOM 0 HD13 LEU A 84 -1.092 -1.074 4.217 1.00 0.91 H new ATOM 0 HD21 LEU A 84 -1.175 -4.063 5.009 1.00 1.01 H new ATOM 0 HD22 LEU A 84 -2.592 -2.987 5.044 1.00 1.01 H new ATOM 0 HD23 LEU A 84 -2.640 -4.492 4.095 1.00 1.01 H new ATOM 1294 N VAL A 85 -3.938 -0.733 5.295 1.00 0.21 N ATOM 1295 CA VAL A 85 -3.705 0.251 6.336 1.00 0.27 C ATOM 1296 C VAL A 85 -2.448 -0.073 7.127 1.00 0.25 C ATOM 1297 O VAL A 85 -2.384 -1.078 7.838 1.00 0.29 O ATOM 1298 CB VAL A 85 -4.909 0.319 7.295 1.00 0.34 C ATOM 1299 CG1 VAL A 85 -4.646 1.304 8.413 1.00 0.43 C ATOM 1300 CG2 VAL A 85 -6.181 0.692 6.541 1.00 0.40 C ATOM 0 H VAL A 85 -4.565 -1.489 5.571 1.00 0.21 H new ATOM 0 HA VAL A 85 -3.574 1.218 5.850 1.00 0.27 H new ATOM 0 HB VAL A 85 -5.050 -0.669 7.734 1.00 0.34 H new ATOM 0 HG11 VAL A 85 -5.508 1.337 9.079 1.00 0.43 H new ATOM 0 HG12 VAL A 85 -3.766 0.991 8.974 1.00 0.43 H new ATOM 0 HG13 VAL A 85 -4.474 2.295 7.992 1.00 0.43 H new ATOM 0 HG21 VAL A 85 -7.018 0.734 7.238 1.00 0.40 H new ATOM 0 HG22 VAL A 85 -6.052 1.666 6.070 1.00 0.40 H new ATOM 0 HG23 VAL A 85 -6.383 -0.057 5.776 1.00 0.40 H new ATOM 1310 N VAL A 86 -1.443 0.771 6.978 1.00 0.22 N ATOM 1311 CA VAL A 86 -0.224 0.653 7.742 1.00 0.20 C ATOM 1312 C VAL A 86 0.058 1.933 8.505 1.00 0.17 C ATOM 1313 O VAL A 86 0.228 3.002 7.923 1.00 0.22 O ATOM 1314 CB VAL A 86 0.987 0.319 6.853 1.00 0.23 C ATOM 1315 CG1 VAL A 86 1.027 -1.166 6.560 1.00 0.49 C ATOM 1316 CG2 VAL A 86 0.954 1.126 5.560 1.00 0.64 C ATOM 0 H VAL A 86 -1.453 1.554 6.325 1.00 0.22 H new ATOM 0 HA VAL A 86 -0.373 -0.169 8.442 1.00 0.20 H new ATOM 0 HB VAL A 86 1.895 0.591 7.392 1.00 0.23 H new ATOM 0 HG11 VAL A 86 1.888 -1.390 5.930 1.00 0.49 H new ATOM 0 HG12 VAL A 86 1.108 -1.719 7.496 1.00 0.49 H new ATOM 0 HG13 VAL A 86 0.113 -1.460 6.043 1.00 0.49 H new ATOM 0 HG21 VAL A 86 1.821 0.871 4.950 1.00 0.64 H new ATOM 0 HG22 VAL A 86 0.042 0.894 5.010 1.00 0.64 H new ATOM 0 HG23 VAL A 86 0.976 2.190 5.795 1.00 0.64 H new ATOM 1326 N ALA A 87 0.088 1.825 9.816 1.00 0.17 N ATOM 1327 CA ALA A 87 0.446 2.948 10.651 1.00 0.18 C ATOM 1328 C ALA A 87 1.927 3.247 10.480 1.00 0.16 C ATOM 1329 O ALA A 87 2.759 2.343 10.566 1.00 0.24 O ATOM 1330 CB ALA A 87 0.103 2.652 12.095 1.00 0.28 C ATOM 0 H ALA A 87 -0.132 0.969 10.326 1.00 0.17 H new ATOM 0 HA ALA A 87 -0.121 3.829 10.352 1.00 0.18 H new ATOM 0 HB1 ALA A 87 0.377 3.505 12.716 1.00 0.28 H new ATOM 0 HB2 ALA A 87 -0.967 2.467 12.184 1.00 0.28 H new ATOM 0 HB3 ALA A 87 0.652 1.771 12.426 1.00 0.28 H new ATOM 1336 N ALA A 88 2.259 4.511 10.245 1.00 0.12 N ATOM 1337 CA ALA A 88 3.621 4.883 9.873 1.00 0.14 C ATOM 1338 C ALA A 88 4.554 4.817 11.055 1.00 0.16 C ATOM 1339 O ALA A 88 5.764 4.987 10.918 1.00 0.22 O ATOM 1340 CB ALA A 88 3.653 6.281 9.283 1.00 0.17 C ATOM 0 H ALA A 88 1.608 5.294 10.305 1.00 0.12 H new ATOM 0 HA ALA A 88 3.958 4.166 9.124 1.00 0.14 H new ATOM 0 HB1 ALA A 88 4.677 6.538 9.013 1.00 0.17 H new ATOM 0 HB2 ALA A 88 3.023 6.315 8.394 1.00 0.17 H new ATOM 0 HB3 ALA A 88 3.282 6.995 10.018 1.00 0.17 H new ATOM 1346 N ASP A 89 3.992 4.588 12.214 1.00 0.16 N ATOM 1347 CA ASP A 89 4.795 4.479 13.417 1.00 0.21 C ATOM 1348 C ASP A 89 5.217 3.032 13.660 1.00 0.22 C ATOM 1349 O ASP A 89 6.071 2.762 14.505 1.00 0.37 O ATOM 1350 CB ASP A 89 4.028 5.016 14.626 1.00 0.30 C ATOM 1351 CG ASP A 89 2.959 4.056 15.104 1.00 0.39 C ATOM 1352 OD1 ASP A 89 2.178 3.572 14.265 1.00 0.47 O ATOM 1353 OD2 ASP A 89 2.888 3.794 16.323 1.00 0.58 O ATOM 0 H ASP A 89 2.988 4.473 12.356 1.00 0.16 H new ATOM 0 HA ASP A 89 5.693 5.080 13.278 1.00 0.21 H new ATOM 0 HB2 ASP A 89 4.727 5.211 15.439 1.00 0.30 H new ATOM 0 HB3 ASP A 89 3.567 5.969 14.366 1.00 0.30 H new ATOM 1358 N ASP A 90 4.639 2.109 12.897 1.00 0.19 N ATOM 1359 CA ASP A 90 4.879 0.681 13.109 1.00 0.23 C ATOM 1360 C ASP A 90 5.286 -0.021 11.809 1.00 0.25 C ATOM 1361 O ASP A 90 6.305 -0.716 11.767 1.00 0.42 O ATOM 1362 CB ASP A 90 3.636 0.032 13.704 1.00 0.26 C ATOM 1363 CG ASP A 90 3.910 -1.343 14.268 1.00 0.36 C ATOM 1364 OD1 ASP A 90 5.031 -1.568 14.764 1.00 0.56 O ATOM 1365 OD2 ASP A 90 3.017 -2.210 14.186 1.00 0.46 O ATOM 0 H ASP A 90 4.003 2.321 12.128 1.00 0.19 H new ATOM 0 HA ASP A 90 5.708 0.575 13.808 1.00 0.23 H new ATOM 0 HB2 ASP A 90 3.239 0.671 14.493 1.00 0.26 H new ATOM 0 HB3 ASP A 90 2.866 -0.042 12.936 1.00 0.26 H new ATOM 1370 N GLY A 91 4.496 0.158 10.750 1.00 0.20 N ATOM 1371 CA GLY A 91 4.866 -0.387 9.450 1.00 0.21 C ATOM 1372 C GLY A 91 4.145 -1.679 9.100 1.00 0.22 C ATOM 1373 O GLY A 91 2.931 -1.785 9.259 1.00 0.37 O ATOM 0 H GLY A 91 3.612 0.667 10.767 1.00 0.20 H new ATOM 0 HA2 GLY A 91 4.655 0.356 8.681 1.00 0.21 H new ATOM 0 HA3 GLY A 91 5.941 -0.566 9.434 1.00 0.21 H new ATOM 1377 N VAL A 92 4.904 -2.650 8.615 1.00 0.26 N ATOM 1378 CA VAL A 92 4.357 -3.935 8.181 1.00 0.26 C ATOM 1379 C VAL A 92 4.524 -4.978 9.270 1.00 0.24 C ATOM 1380 O VAL A 92 5.589 -5.112 9.877 1.00 0.28 O ATOM 1381 CB VAL A 92 5.043 -4.412 6.885 1.00 0.32 C ATOM 1382 CG1 VAL A 92 4.784 -5.890 6.624 1.00 0.96 C ATOM 1383 CG2 VAL A 92 4.557 -3.585 5.716 1.00 1.03 C ATOM 0 H VAL A 92 5.916 -2.574 8.510 1.00 0.26 H new ATOM 0 HA VAL A 92 3.294 -3.800 7.982 1.00 0.26 H new ATOM 0 HB VAL A 92 6.118 -4.281 7.004 1.00 0.32 H new ATOM 0 HG11 VAL A 92 5.283 -6.190 5.702 1.00 0.96 H new ATOM 0 HG12 VAL A 92 5.172 -6.480 7.455 1.00 0.96 H new ATOM 0 HG13 VAL A 92 3.712 -6.060 6.528 1.00 0.96 H new ATOM 0 HG21 VAL A 92 5.044 -3.925 4.802 1.00 1.03 H new ATOM 0 HG22 VAL A 92 3.477 -3.697 5.615 1.00 1.03 H new ATOM 0 HG23 VAL A 92 4.799 -2.536 5.887 1.00 1.03 H new ATOM 1393 N MET A 93 3.455 -5.708 9.500 1.00 0.22 N ATOM 1394 CA MET A 93 3.361 -6.644 10.605 1.00 0.22 C ATOM 1395 C MET A 93 2.666 -7.929 10.120 1.00 0.22 C ATOM 1396 O MET A 93 2.328 -8.022 8.938 1.00 0.23 O ATOM 1397 CB MET A 93 2.587 -5.964 11.736 1.00 0.21 C ATOM 1398 CG MET A 93 3.207 -4.650 12.180 1.00 0.23 C ATOM 1399 SD MET A 93 4.715 -4.888 13.132 1.00 0.28 S ATOM 1400 CE MET A 93 4.000 -5.332 14.706 1.00 0.27 C ATOM 0 H MET A 93 2.616 -5.670 8.921 1.00 0.22 H new ATOM 0 HA MET A 93 4.346 -6.925 10.977 1.00 0.22 H new ATOM 0 HB2 MET A 93 1.563 -5.783 11.409 1.00 0.21 H new ATOM 0 HB3 MET A 93 2.534 -6.640 12.589 1.00 0.21 H new ATOM 0 HG2 MET A 93 3.427 -4.041 11.303 1.00 0.23 H new ATOM 0 HG3 MET A 93 2.486 -4.096 12.780 1.00 0.23 H new ATOM 0 HE1 MET A 93 4.326 -4.622 15.467 1.00 0.27 H new ATOM 0 HE2 MET A 93 2.913 -5.310 14.631 1.00 0.27 H new ATOM 0 HE3 MET A 93 4.324 -6.335 14.983 1.00 0.27 H new ATOM 1410 N PRO A 94 2.449 -8.936 11.000 1.00 0.25 N ATOM 1411 CA PRO A 94 1.858 -10.233 10.616 1.00 0.30 C ATOM 1412 C PRO A 94 0.604 -10.130 9.739 1.00 0.28 C ATOM 1413 O PRO A 94 0.643 -10.493 8.562 1.00 0.31 O ATOM 1414 CB PRO A 94 1.511 -10.895 11.961 1.00 0.37 C ATOM 1415 CG PRO A 94 1.779 -9.864 13.011 1.00 0.58 C ATOM 1416 CD PRO A 94 2.787 -8.923 12.431 1.00 0.30 C ATOM 0 HA PRO A 94 2.560 -10.796 10.002 1.00 0.30 H new ATOM 0 HB2 PRO A 94 0.468 -11.211 11.982 1.00 0.37 H new ATOM 0 HB3 PRO A 94 2.118 -11.786 12.125 1.00 0.37 H new ATOM 0 HG2 PRO A 94 0.864 -9.336 13.279 1.00 0.58 H new ATOM 0 HG3 PRO A 94 2.159 -10.327 13.922 1.00 0.58 H new ATOM 0 HD2 PRO A 94 2.703 -7.924 12.859 1.00 0.30 H new ATOM 0 HD3 PRO A 94 3.808 -9.261 12.610 1.00 0.30 H new ATOM 1424 N GLN A 95 -0.503 -9.640 10.291 1.00 0.29 N ATOM 1425 CA GLN A 95 -1.752 -9.603 9.539 1.00 0.32 C ATOM 1426 C GLN A 95 -1.687 -8.567 8.422 1.00 0.31 C ATOM 1427 O GLN A 95 -2.480 -8.593 7.480 1.00 0.37 O ATOM 1428 CB GLN A 95 -2.955 -9.338 10.447 1.00 0.37 C ATOM 1429 CG GLN A 95 -3.106 -7.904 10.918 1.00 0.45 C ATOM 1430 CD GLN A 95 -4.457 -7.662 11.576 1.00 0.50 C ATOM 1431 OE1 GLN A 95 -4.530 -7.781 12.894 1.00 0.75 O flip ATOM 1432 NE2 GLN A 95 -5.435 -7.345 10.903 1.00 0.34 N flip ATOM 0 H GLN A 95 -0.561 -9.269 11.240 1.00 0.29 H new ATOM 0 HA GLN A 95 -1.886 -10.588 9.091 1.00 0.32 H new ATOM 0 HB2 GLN A 95 -3.862 -9.626 9.915 1.00 0.37 H new ATOM 0 HB3 GLN A 95 -2.879 -9.985 11.321 1.00 0.37 H new ATOM 0 HG2 GLN A 95 -2.310 -7.668 11.625 1.00 0.45 H new ATOM 0 HG3 GLN A 95 -2.989 -7.229 10.070 1.00 0.45 H new ATOM 0 HE21 GLN A 95 -5.351 -7.260 9.890 1.00 0.34 H new ATOM 0 HE22 GLN A 95 -6.331 -7.166 11.357 1.00 0.34 H new ATOM 1441 N THR A 96 -0.716 -7.676 8.524 1.00 0.26 N ATOM 1442 CA THR A 96 -0.488 -6.667 7.510 1.00 0.25 C ATOM 1443 C THR A 96 -0.034 -7.334 6.225 1.00 0.25 C ATOM 1444 O THR A 96 -0.574 -7.081 5.147 1.00 0.31 O ATOM 1445 CB THR A 96 0.579 -5.674 7.961 1.00 0.25 C ATOM 1446 OG1 THR A 96 0.674 -5.706 9.382 1.00 0.24 O ATOM 1447 CG2 THR A 96 0.233 -4.269 7.513 1.00 0.28 C ATOM 0 H THR A 96 -0.067 -7.633 9.310 1.00 0.26 H new ATOM 0 HA THR A 96 -1.421 -6.129 7.345 1.00 0.25 H new ATOM 0 HB THR A 96 1.531 -5.955 7.512 1.00 0.25 H new ATOM 0 HG1 THR A 96 1.100 -4.883 9.700 1.00 0.24 H new ATOM 0 HG21 THR A 96 1.009 -3.579 7.846 1.00 0.28 H new ATOM 0 HG22 THR A 96 0.165 -4.240 6.426 1.00 0.28 H new ATOM 0 HG23 THR A 96 -0.724 -3.975 7.944 1.00 0.28 H new ATOM 1455 N VAL A 97 0.951 -8.214 6.347 1.00 0.25 N ATOM 1456 CA VAL A 97 1.465 -8.907 5.203 1.00 0.31 C ATOM 1457 C VAL A 97 0.550 -10.047 4.751 1.00 0.23 C ATOM 1458 O VAL A 97 0.562 -10.416 3.584 1.00 0.24 O ATOM 1459 CB VAL A 97 2.905 -9.404 5.431 1.00 0.48 C ATOM 1460 CG1 VAL A 97 3.047 -10.187 6.718 1.00 1.02 C ATOM 1461 CG2 VAL A 97 3.340 -10.251 4.270 1.00 1.38 C ATOM 0 H VAL A 97 1.401 -8.455 7.230 1.00 0.25 H new ATOM 0 HA VAL A 97 1.492 -8.179 4.392 1.00 0.31 H new ATOM 0 HB VAL A 97 3.544 -8.525 5.513 1.00 0.48 H new ATOM 0 HG11 VAL A 97 4.080 -10.515 6.832 1.00 1.02 H new ATOM 0 HG12 VAL A 97 2.772 -9.554 7.561 1.00 1.02 H new ATOM 0 HG13 VAL A 97 2.391 -11.057 6.689 1.00 1.02 H new ATOM 0 HG21 VAL A 97 4.359 -10.600 4.436 1.00 1.38 H new ATOM 0 HG22 VAL A 97 2.674 -11.108 4.175 1.00 1.38 H new ATOM 0 HG23 VAL A 97 3.303 -9.660 3.355 1.00 1.38 H new ATOM 1471 N GLU A 98 -0.262 -10.594 5.646 1.00 0.24 N ATOM 1472 CA GLU A 98 -1.273 -11.571 5.231 1.00 0.29 C ATOM 1473 C GLU A 98 -2.228 -10.923 4.236 1.00 0.31 C ATOM 1474 O GLU A 98 -2.674 -11.557 3.276 1.00 0.37 O ATOM 1475 CB GLU A 98 -2.050 -12.099 6.439 1.00 0.39 C ATOM 1476 CG GLU A 98 -1.212 -12.946 7.381 1.00 0.92 C ATOM 1477 CD GLU A 98 -2.007 -13.449 8.571 1.00 1.64 C ATOM 1478 OE1 GLU A 98 -2.834 -14.370 8.397 1.00 1.97 O ATOM 1479 OE2 GLU A 98 -1.808 -12.926 9.685 1.00 2.35 O ATOM 0 H GLU A 98 -0.247 -10.387 6.645 1.00 0.24 H new ATOM 0 HA GLU A 98 -0.771 -12.414 4.757 1.00 0.29 H new ATOM 0 HB2 GLU A 98 -2.462 -11.255 6.992 1.00 0.39 H new ATOM 0 HB3 GLU A 98 -2.894 -12.691 6.086 1.00 0.39 H new ATOM 0 HG2 GLU A 98 -0.804 -13.796 6.835 1.00 0.92 H new ATOM 0 HG3 GLU A 98 -0.365 -12.359 7.736 1.00 0.92 H new ATOM 1486 N ALA A 99 -2.508 -9.644 4.453 1.00 0.31 N ATOM 1487 CA ALA A 99 -3.312 -8.866 3.523 1.00 0.35 C ATOM 1488 C ALA A 99 -2.530 -8.586 2.239 1.00 0.34 C ATOM 1489 O ALA A 99 -3.119 -8.389 1.175 1.00 0.44 O ATOM 1490 CB ALA A 99 -3.758 -7.567 4.170 1.00 0.39 C ATOM 0 H ALA A 99 -2.188 -9.123 5.269 1.00 0.31 H new ATOM 0 HA ALA A 99 -4.198 -9.446 3.263 1.00 0.35 H new ATOM 0 HB1 ALA A 99 -4.359 -6.995 3.462 1.00 0.39 H new ATOM 0 HB2 ALA A 99 -4.353 -7.787 5.056 1.00 0.39 H new ATOM 0 HB3 ALA A 99 -2.883 -6.984 4.457 1.00 0.39 H new ATOM 1496 N ILE A 100 -1.204 -8.576 2.334 1.00 0.28 N ATOM 1497 CA ILE A 100 -0.362 -8.435 1.162 1.00 0.29 C ATOM 1498 C ILE A 100 -0.348 -9.751 0.394 1.00 0.29 C ATOM 1499 O ILE A 100 -0.492 -9.776 -0.828 1.00 0.34 O ATOM 1500 CB ILE A 100 1.074 -8.067 1.570 1.00 0.32 C ATOM 1501 CG1 ILE A 100 1.091 -6.732 2.321 1.00 0.35 C ATOM 1502 CG2 ILE A 100 1.961 -8.015 0.348 1.00 0.36 C ATOM 1503 CD1 ILE A 100 2.438 -6.389 2.918 1.00 0.41 C ATOM 0 H ILE A 100 -0.694 -8.664 3.213 1.00 0.28 H new ATOM 0 HA ILE A 100 -0.762 -7.639 0.534 1.00 0.29 H new ATOM 0 HB ILE A 100 1.460 -8.834 2.242 1.00 0.32 H new ATOM 0 HG12 ILE A 100 0.793 -5.937 1.638 1.00 0.35 H new ATOM 0 HG13 ILE A 100 0.348 -6.763 3.117 1.00 0.35 H new ATOM 0 HG21 ILE A 100 2.976 -7.754 0.646 1.00 0.36 H new ATOM 0 HG22 ILE A 100 1.966 -8.990 -0.140 1.00 0.36 H new ATOM 0 HG23 ILE A 100 1.582 -7.264 -0.345 1.00 0.36 H new ATOM 0 HD11 ILE A 100 2.374 -5.431 3.434 1.00 0.41 H new ATOM 0 HD12 ILE A 100 2.730 -7.164 3.627 1.00 0.41 H new ATOM 0 HD13 ILE A 100 3.182 -6.324 2.124 1.00 0.41 H new ATOM 1515 N ASN A 101 -0.188 -10.837 1.140 1.00 0.29 N ATOM 1516 CA ASN A 101 -0.221 -12.191 0.603 1.00 0.34 C ATOM 1517 C ASN A 101 -1.469 -12.399 -0.235 1.00 0.36 C ATOM 1518 O ASN A 101 -1.401 -12.864 -1.369 1.00 0.43 O ATOM 1519 CB ASN A 101 -0.186 -13.197 1.766 1.00 0.44 C ATOM 1520 CG ASN A 101 1.179 -13.341 2.393 1.00 0.53 C ATOM 1521 OD1 ASN A 101 2.199 -13.048 1.776 1.00 0.67 O ATOM 1522 ND2 ASN A 101 1.203 -13.830 3.619 1.00 0.64 N ATOM 0 H ASN A 101 -0.030 -10.801 2.147 1.00 0.29 H new ATOM 0 HA ASN A 101 0.648 -12.346 -0.037 1.00 0.34 H new ATOM 0 HB2 ASN A 101 -0.897 -12.883 2.530 1.00 0.44 H new ATOM 0 HB3 ASN A 101 -0.516 -14.171 1.404 1.00 0.44 H new ATOM 0 HD21 ASN A 101 2.095 -13.978 4.092 1.00 0.64 H new ATOM 0 HD22 ASN A 101 0.330 -14.059 4.094 1.00 0.64 H new ATOM 1529 N HIS A 102 -2.600 -12.025 0.346 1.00 0.35 N ATOM 1530 CA HIS A 102 -3.872 -11.969 -0.344 1.00 0.43 C ATOM 1531 C HIS A 102 -3.718 -11.302 -1.707 1.00 0.37 C ATOM 1532 O HIS A 102 -4.049 -11.864 -2.753 1.00 0.41 O ATOM 1533 CB HIS A 102 -4.830 -11.162 0.553 1.00 0.61 C ATOM 1534 CG HIS A 102 -5.640 -10.110 -0.144 1.00 1.18 C ATOM 1535 ND1 HIS A 102 -5.520 -8.766 0.124 1.00 2.07 N ATOM 1536 CD2 HIS A 102 -6.550 -10.213 -1.121 1.00 1.10 C ATOM 1537 CE1 HIS A 102 -6.330 -8.091 -0.661 1.00 2.50 C ATOM 1538 NE2 HIS A 102 -6.969 -8.944 -1.426 1.00 1.91 N ATOM 0 H HIS A 102 -2.656 -11.748 1.326 1.00 0.35 H new ATOM 0 HA HIS A 102 -4.261 -12.971 -0.523 1.00 0.43 H new ATOM 0 HB2 HIS A 102 -5.513 -11.857 1.041 1.00 0.61 H new ATOM 0 HB3 HIS A 102 -4.246 -10.684 1.339 1.00 0.61 H new ATOM 0 HD1 HIS A 102 -4.899 -8.357 0.823 1.00 2.07 H new ATOM 0 HD2 HIS A 102 -6.891 -11.127 -1.583 1.00 1.10 H new ATOM 0 HE1 HIS A 102 -6.449 -7.018 -0.674 1.00 2.50 H new ATOM 0 HE2 HIS A 102 -7.664 -8.702 -2.132 1.00 1.91 H new ATOM 1547 N ALA A 103 -3.214 -10.093 -1.662 1.00 0.37 N ATOM 1548 CA ALA A 103 -3.180 -9.222 -2.818 1.00 0.41 C ATOM 1549 C ALA A 103 -2.214 -9.698 -3.895 1.00 0.40 C ATOM 1550 O ALA A 103 -2.581 -9.752 -5.065 1.00 0.44 O ATOM 1551 CB ALA A 103 -2.824 -7.815 -2.389 1.00 0.47 C ATOM 0 H ALA A 103 -2.813 -9.681 -0.820 1.00 0.37 H new ATOM 0 HA ALA A 103 -4.176 -9.240 -3.259 1.00 0.41 H new ATOM 0 HB1 ALA A 103 -2.800 -7.163 -3.262 1.00 0.47 H new ATOM 0 HB2 ALA A 103 -3.571 -7.449 -1.684 1.00 0.47 H new ATOM 0 HB3 ALA A 103 -1.845 -7.817 -1.911 1.00 0.47 H new ATOM 1557 N LYS A 104 -0.990 -10.046 -3.510 1.00 0.41 N ATOM 1558 CA LYS A 104 0.041 -10.369 -4.491 1.00 0.49 C ATOM 1559 C LYS A 104 -0.241 -11.703 -5.140 1.00 0.54 C ATOM 1560 O LYS A 104 0.025 -11.899 -6.326 1.00 0.66 O ATOM 1561 CB LYS A 104 1.415 -10.404 -3.836 1.00 0.61 C ATOM 1562 CG LYS A 104 1.687 -9.207 -2.953 1.00 0.70 C ATOM 1563 CD LYS A 104 1.478 -7.884 -3.689 1.00 0.84 C ATOM 1564 CE LYS A 104 2.324 -7.781 -4.952 1.00 0.99 C ATOM 1565 NZ LYS A 104 3.775 -7.763 -4.652 1.00 1.66 N ATOM 0 H LYS A 104 -0.690 -10.111 -2.537 1.00 0.41 H new ATOM 0 HA LYS A 104 0.031 -9.591 -5.255 1.00 0.49 H new ATOM 0 HB2 LYS A 104 1.503 -11.313 -3.241 1.00 0.61 H new ATOM 0 HB3 LYS A 104 2.179 -10.455 -4.612 1.00 0.61 H new ATOM 0 HG2 LYS A 104 1.031 -9.244 -2.083 1.00 0.70 H new ATOM 0 HG3 LYS A 104 2.711 -9.257 -2.583 1.00 0.70 H new ATOM 0 HD2 LYS A 104 0.425 -7.780 -3.951 1.00 0.84 H new ATOM 0 HD3 LYS A 104 1.724 -7.058 -3.022 1.00 0.84 H new ATOM 0 HE2 LYS A 104 2.100 -8.623 -5.607 1.00 0.99 H new ATOM 0 HE3 LYS A 104 2.055 -6.875 -5.495 1.00 0.99 H new ATOM 0 HZ1 LYS A 104 4.307 -7.557 -5.522 1.00 1.66 H new ATOM 0 HZ2 LYS A 104 3.974 -7.029 -3.942 1.00 1.66 H new ATOM 0 HZ3 LYS A 104 4.064 -8.691 -4.281 1.00 1.66 H new ATOM 1579 N ALA A 105 -0.776 -12.615 -4.350 1.00 0.51 N ATOM 1580 CA ALA A 105 -1.169 -13.926 -4.853 1.00 0.61 C ATOM 1581 C ALA A 105 -2.205 -13.796 -5.971 1.00 0.62 C ATOM 1582 O ALA A 105 -2.187 -14.562 -6.938 1.00 0.77 O ATOM 1583 CB ALA A 105 -1.713 -14.796 -3.731 1.00 0.65 C ATOM 0 H ALA A 105 -0.950 -12.475 -3.355 1.00 0.51 H new ATOM 0 HA ALA A 105 -0.279 -14.405 -5.262 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -1.999 -15.769 -4.131 1.00 0.65 H new ATOM 0 HB2 ALA A 105 -0.945 -14.929 -2.969 1.00 0.65 H new ATOM 0 HB3 ALA A 105 -2.585 -14.315 -3.288 1.00 0.65 H new ATOM 1589 N ALA A 106 -3.098 -12.819 -5.834 1.00 0.54 N ATOM 1590 CA ALA A 106 -4.144 -12.604 -6.831 1.00 0.64 C ATOM 1591 C ALA A 106 -3.717 -11.601 -7.907 1.00 0.64 C ATOM 1592 O ALA A 106 -4.243 -11.617 -9.022 1.00 0.74 O ATOM 1593 CB ALA A 106 -5.429 -12.142 -6.163 1.00 0.68 C ATOM 0 H ALA A 106 -3.119 -12.168 -5.049 1.00 0.54 H new ATOM 0 HA ALA A 106 -4.320 -13.560 -7.325 1.00 0.64 H new ATOM 0 HB1 ALA A 106 -6.197 -11.987 -6.920 1.00 0.68 H new ATOM 0 HB2 ALA A 106 -5.765 -12.901 -5.456 1.00 0.68 H new ATOM 0 HB3 ALA A 106 -5.248 -11.207 -5.633 1.00 0.68 H new ATOM 1599 N ASN A 107 -2.782 -10.718 -7.542 1.00 0.59 N ATOM 1600 CA ASN A 107 -2.214 -9.710 -8.447 1.00 0.65 C ATOM 1601 C ASN A 107 -3.156 -8.531 -8.556 1.00 0.60 C ATOM 1602 O ASN A 107 -3.398 -7.989 -9.634 1.00 0.85 O ATOM 1603 CB ASN A 107 -1.874 -10.273 -9.828 1.00 0.85 C ATOM 1604 CG ASN A 107 -0.495 -10.878 -9.881 1.00 1.04 C ATOM 1605 OD1 ASN A 107 0.390 -10.515 -9.107 1.00 1.17 O ATOM 1606 ND2 ASN A 107 -0.292 -11.783 -10.819 1.00 1.41 N ATOM 0 H ASN A 107 -2.393 -10.682 -6.600 1.00 0.59 H new ATOM 0 HA ASN A 107 -1.269 -9.380 -8.016 1.00 0.65 H new ATOM 0 HB2 ASN A 107 -2.610 -11.030 -10.099 1.00 0.85 H new ATOM 0 HB3 ASN A 107 -1.947 -9.477 -10.569 1.00 0.85 H new ATOM 0 HD21 ASN A 107 0.628 -12.211 -10.924 1.00 1.41 H new ATOM 0 HD22 ASN A 107 -1.055 -12.054 -11.439 1.00 1.41 H new ATOM 1613 N VAL A 108 -3.676 -8.149 -7.406 1.00 0.44 N ATOM 1614 CA VAL A 108 -4.655 -7.092 -7.291 1.00 0.42 C ATOM 1615 C VAL A 108 -4.000 -5.760 -6.921 1.00 0.37 C ATOM 1616 O VAL A 108 -3.051 -5.723 -6.136 1.00 0.38 O ATOM 1617 CB VAL A 108 -5.691 -7.473 -6.219 1.00 0.49 C ATOM 1618 CG1 VAL A 108 -6.356 -6.239 -5.649 1.00 1.06 C ATOM 1619 CG2 VAL A 108 -6.729 -8.423 -6.799 1.00 1.35 C ATOM 0 H VAL A 108 -3.425 -8.572 -6.513 1.00 0.44 H new ATOM 0 HA VAL A 108 -5.142 -6.970 -8.259 1.00 0.42 H new ATOM 0 HB VAL A 108 -5.172 -7.982 -5.407 1.00 0.49 H new ATOM 0 HG11 VAL A 108 -7.084 -6.534 -4.893 1.00 1.06 H new ATOM 0 HG12 VAL A 108 -5.602 -5.596 -5.195 1.00 1.06 H new ATOM 0 HG13 VAL A 108 -6.862 -5.696 -6.448 1.00 1.06 H new ATOM 0 HG21 VAL A 108 -7.455 -8.683 -6.029 1.00 1.35 H new ATOM 0 HG22 VAL A 108 -7.241 -7.939 -7.631 1.00 1.35 H new ATOM 0 HG23 VAL A 108 -6.236 -9.328 -7.154 1.00 1.35 H new ATOM 1629 N PRO A 109 -4.501 -4.651 -7.500 1.00 0.35 N ATOM 1630 CA PRO A 109 -4.036 -3.303 -7.171 1.00 0.33 C ATOM 1631 C PRO A 109 -4.368 -2.893 -5.738 1.00 0.28 C ATOM 1632 O PRO A 109 -5.449 -3.203 -5.210 1.00 0.29 O ATOM 1633 CB PRO A 109 -4.786 -2.397 -8.152 1.00 0.37 C ATOM 1634 CG PRO A 109 -5.314 -3.309 -9.210 1.00 0.47 C ATOM 1635 CD PRO A 109 -5.544 -4.628 -8.534 1.00 0.40 C ATOM 0 HA PRO A 109 -2.951 -3.238 -7.248 1.00 0.33 H new ATOM 0 HB2 PRO A 109 -5.595 -1.863 -7.654 1.00 0.37 H new ATOM 0 HB3 PRO A 109 -4.122 -1.644 -8.578 1.00 0.37 H new ATOM 0 HG2 PRO A 109 -6.240 -2.921 -9.635 1.00 0.47 H new ATOM 0 HG3 PRO A 109 -4.604 -3.409 -10.031 1.00 0.47 H new ATOM 0 HD2 PRO A 109 -6.543 -4.692 -8.102 1.00 0.40 H new ATOM 0 HD3 PRO A 109 -5.443 -5.462 -9.229 1.00 0.40 H new ATOM 1643 N ILE A 110 -3.449 -2.173 -5.113 1.00 0.25 N ATOM 1644 CA ILE A 110 -3.609 -1.818 -3.719 1.00 0.21 C ATOM 1645 C ILE A 110 -3.906 -0.329 -3.557 1.00 0.19 C ATOM 1646 O ILE A 110 -3.623 0.491 -4.437 1.00 0.23 O ATOM 1647 CB ILE A 110 -2.320 -2.157 -2.925 1.00 0.23 C ATOM 1648 CG1 ILE A 110 -1.912 -3.619 -3.112 1.00 0.38 C ATOM 1649 CG2 ILE A 110 -2.479 -1.853 -1.444 1.00 0.21 C ATOM 1650 CD1 ILE A 110 -2.763 -4.581 -2.320 1.00 0.60 C ATOM 0 H ILE A 110 -2.593 -1.828 -5.548 1.00 0.25 H new ATOM 0 HA ILE A 110 -4.449 -2.393 -3.331 1.00 0.21 H new ATOM 0 HB ILE A 110 -1.530 -1.522 -3.327 1.00 0.23 H new ATOM 0 HG12 ILE A 110 -1.975 -3.874 -4.170 1.00 0.38 H new ATOM 0 HG13 ILE A 110 -0.870 -3.739 -2.817 1.00 0.38 H new ATOM 0 HG21 ILE A 110 -1.556 -2.103 -0.920 1.00 0.21 H new ATOM 0 HG22 ILE A 110 -2.696 -0.793 -1.311 1.00 0.21 H new ATOM 0 HG23 ILE A 110 -3.299 -2.445 -1.037 1.00 0.21 H new ATOM 0 HD11 ILE A 110 -2.421 -5.601 -2.498 1.00 0.60 H new ATOM 0 HD12 ILE A 110 -2.680 -4.350 -1.258 1.00 0.60 H new ATOM 0 HD13 ILE A 110 -3.803 -4.488 -2.632 1.00 0.60 H new ATOM 1662 N ILE A 111 -4.481 -0.012 -2.418 1.00 0.18 N ATOM 1663 CA ILE A 111 -4.604 1.346 -1.932 1.00 0.18 C ATOM 1664 C ILE A 111 -4.006 1.374 -0.543 1.00 0.16 C ATOM 1665 O ILE A 111 -4.699 1.170 0.454 1.00 0.18 O ATOM 1666 CB ILE A 111 -6.066 1.852 -1.873 1.00 0.25 C ATOM 1667 CG1 ILE A 111 -6.630 2.042 -3.273 1.00 0.32 C ATOM 1668 CG2 ILE A 111 -6.154 3.171 -1.110 1.00 0.27 C ATOM 1669 CD1 ILE A 111 -5.980 3.175 -4.026 1.00 0.37 C ATOM 0 H ILE A 111 -4.885 -0.706 -1.789 1.00 0.18 H new ATOM 0 HA ILE A 111 -4.086 2.008 -2.625 1.00 0.18 H new ATOM 0 HB ILE A 111 -6.654 1.097 -1.351 1.00 0.25 H new ATOM 0 HG12 ILE A 111 -6.502 1.118 -3.838 1.00 0.32 H new ATOM 0 HG13 ILE A 111 -7.702 2.228 -3.204 1.00 0.32 H new ATOM 0 HG21 ILE A 111 -7.191 3.507 -1.082 1.00 0.27 H new ATOM 0 HG22 ILE A 111 -5.791 3.027 -0.092 1.00 0.27 H new ATOM 0 HG23 ILE A 111 -5.543 3.922 -1.610 1.00 0.27 H new ATOM 0 HD11 ILE A 111 -6.427 3.257 -5.017 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -6.130 4.107 -3.481 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -4.912 2.981 -4.125 1.00 0.37 H new ATOM 1681 N VAL A 112 -2.709 1.543 -0.469 1.00 0.16 N ATOM 1682 CA VAL A 112 -2.060 1.599 0.805 1.00 0.18 C ATOM 1683 C VAL A 112 -2.407 2.887 1.476 1.00 0.20 C ATOM 1684 O VAL A 112 -2.521 3.934 0.844 1.00 0.22 O ATOM 1685 CB VAL A 112 -0.543 1.493 0.708 1.00 0.19 C ATOM 1686 CG1 VAL A 112 0.079 1.512 2.077 1.00 0.26 C ATOM 1687 CG2 VAL A 112 -0.152 0.233 -0.007 1.00 0.19 C ATOM 0 H VAL A 112 -2.090 1.643 -1.274 1.00 0.16 H new ATOM 0 HA VAL A 112 -2.412 0.742 1.379 1.00 0.18 H new ATOM 0 HB VAL A 112 -0.179 2.352 0.144 1.00 0.19 H new ATOM 0 HG11 VAL A 112 1.162 1.435 1.985 1.00 0.26 H new ATOM 0 HG12 VAL A 112 -0.178 2.444 2.580 1.00 0.26 H new ATOM 0 HG13 VAL A 112 -0.296 0.670 2.659 1.00 0.26 H new ATOM 0 HG21 VAL A 112 0.935 0.172 -0.068 1.00 0.19 H new ATOM 0 HG22 VAL A 112 -0.534 -0.629 0.540 1.00 0.19 H new ATOM 0 HG23 VAL A 112 -0.572 0.240 -1.013 1.00 0.19 H new ATOM 1697 N ALA A 113 -2.559 2.800 2.747 1.00 0.21 N ATOM 1698 CA ALA A 113 -2.948 3.936 3.522 1.00 0.24 C ATOM 1699 C ALA A 113 -2.207 3.961 4.830 1.00 0.25 C ATOM 1700 O ALA A 113 -2.478 3.191 5.749 1.00 0.28 O ATOM 1701 CB ALA A 113 -4.448 3.946 3.714 1.00 0.29 C ATOM 0 H ALA A 113 -2.419 1.945 3.285 1.00 0.21 H new ATOM 0 HA ALA A 113 -2.680 4.846 2.986 1.00 0.24 H new ATOM 0 HB1 ALA A 113 -4.733 4.816 4.306 1.00 0.29 H new ATOM 0 HB2 ALA A 113 -4.939 3.992 2.742 1.00 0.29 H new ATOM 0 HB3 ALA A 113 -4.754 3.038 4.233 1.00 0.29 H new ATOM 1707 N ILE A 114 -1.232 4.837 4.864 1.00 0.24 N ATOM 1708 CA ILE A 114 -0.472 5.085 6.048 1.00 0.27 C ATOM 1709 C ILE A 114 -1.352 5.804 7.045 1.00 0.30 C ATOM 1710 O ILE A 114 -2.046 6.741 6.693 1.00 0.50 O ATOM 1711 CB ILE A 114 0.781 5.930 5.723 1.00 0.33 C ATOM 1712 CG1 ILE A 114 1.815 5.083 4.971 1.00 0.38 C ATOM 1713 CG2 ILE A 114 1.382 6.519 6.983 1.00 0.44 C ATOM 1714 CD1 ILE A 114 1.551 4.949 3.483 1.00 0.59 C ATOM 0 H ILE A 114 -0.948 5.398 4.061 1.00 0.24 H new ATOM 0 HA ILE A 114 -0.134 4.139 6.471 1.00 0.27 H new ATOM 0 HB ILE A 114 0.478 6.757 5.081 1.00 0.33 H new ATOM 0 HG12 ILE A 114 2.802 5.524 5.115 1.00 0.38 H new ATOM 0 HG13 ILE A 114 1.843 4.087 5.414 1.00 0.38 H new ATOM 0 HG21 ILE A 114 2.262 7.109 6.725 1.00 0.44 H new ATOM 0 HG22 ILE A 114 0.647 7.159 7.472 1.00 0.44 H new ATOM 0 HG23 ILE A 114 1.670 5.714 7.659 1.00 0.44 H new ATOM 0 HD11 ILE A 114 2.329 4.335 3.029 1.00 0.59 H new ATOM 0 HD12 ILE A 114 0.580 4.479 3.327 1.00 0.59 H new ATOM 0 HD13 ILE A 114 1.554 5.937 3.023 1.00 0.59 H new ATOM 1726 N ASN A 115 -1.344 5.346 8.271 1.00 0.19 N ATOM 1727 CA ASN A 115 -2.154 5.936 9.319 1.00 0.22 C ATOM 1728 C ASN A 115 -1.230 6.389 10.393 1.00 0.20 C ATOM 1729 O ASN A 115 -0.031 6.099 10.343 1.00 0.22 O ATOM 1730 CB ASN A 115 -3.158 4.915 9.848 1.00 0.33 C ATOM 1731 CG ASN A 115 -4.120 5.541 10.821 1.00 0.84 C ATOM 1732 OD1 ASN A 115 -4.446 6.725 10.713 1.00 1.85 O ATOM 1733 ND2 ASN A 115 -4.564 4.768 11.782 1.00 0.56 N ATOM 0 H ASN A 115 -0.778 4.554 8.576 1.00 0.19 H new ATOM 0 HA ASN A 115 -2.727 6.782 8.940 1.00 0.22 H new ATOM 0 HB2 ASN A 115 -3.712 4.482 9.015 1.00 0.33 H new ATOM 0 HB3 ASN A 115 -2.626 4.098 10.335 1.00 0.33 H new ATOM 0 HD21 ASN A 115 -5.207 5.141 12.480 1.00 0.56 H new ATOM 0 HD22 ASN A 115 -4.267 3.794 11.831 1.00 0.56 H new ATOM 1740 N LYS A 116 -1.767 7.137 11.327 1.00 0.19 N ATOM 1741 CA LYS A 116 -1.001 7.609 12.431 1.00 0.20 C ATOM 1742 C LYS A 116 -0.026 8.694 11.992 1.00 0.21 C ATOM 1743 O LYS A 116 1.075 8.819 12.524 1.00 0.26 O ATOM 1744 CB LYS A 116 -0.327 6.410 13.104 1.00 0.25 C ATOM 1745 CG LYS A 116 -1.285 5.630 13.988 1.00 0.32 C ATOM 1746 CD LYS A 116 -0.582 4.585 14.842 1.00 0.40 C ATOM 1747 CE LYS A 116 -1.574 3.739 15.632 1.00 0.51 C ATOM 1748 NZ LYS A 116 -0.896 2.672 16.422 1.00 0.59 N ATOM 0 H LYS A 116 -2.744 7.429 11.334 1.00 0.19 H new ATOM 0 HA LYS A 116 -1.644 8.086 13.171 1.00 0.20 H new ATOM 0 HB2 LYS A 116 0.079 5.748 12.339 1.00 0.25 H new ATOM 0 HB3 LYS A 116 0.514 6.758 13.703 1.00 0.25 H new ATOM 0 HG2 LYS A 116 -1.819 6.324 14.637 1.00 0.32 H new ATOM 0 HG3 LYS A 116 -2.031 5.140 13.363 1.00 0.32 H new ATOM 0 HD2 LYS A 116 0.019 3.938 14.203 1.00 0.40 H new ATOM 0 HD3 LYS A 116 0.103 5.079 15.531 1.00 0.40 H new ATOM 0 HE2 LYS A 116 -2.143 4.381 16.304 1.00 0.51 H new ATOM 0 HE3 LYS A 116 -2.288 3.283 14.946 1.00 0.51 H new ATOM 0 HZ1 LYS A 116 -1.565 1.897 16.605 1.00 0.59 H new ATOM 0 HZ2 LYS A 116 -0.083 2.307 15.886 1.00 0.59 H new ATOM 0 HZ3 LYS A 116 -0.567 3.066 17.326 1.00 0.59 H new ATOM 1762 N MET A 117 -0.465 9.489 11.009 1.00 0.21 N ATOM 1763 CA MET A 117 0.219 10.731 10.653 1.00 0.28 C ATOM 1764 C MET A 117 -0.068 11.778 11.709 1.00 0.29 C ATOM 1765 O MET A 117 0.511 12.862 11.719 1.00 0.37 O ATOM 1766 CB MET A 117 -0.247 11.233 9.289 1.00 0.38 C ATOM 1767 CG MET A 117 0.431 10.533 8.135 1.00 0.48 C ATOM 1768 SD MET A 117 2.083 11.154 7.842 1.00 0.77 S ATOM 1769 CE MET A 117 2.940 9.598 7.860 1.00 0.92 C ATOM 0 H MET A 117 -1.293 9.291 10.447 1.00 0.21 H new ATOM 0 HA MET A 117 1.291 10.541 10.601 1.00 0.28 H new ATOM 0 HB2 MET A 117 -1.325 11.095 9.207 1.00 0.38 H new ATOM 0 HB3 MET A 117 -0.057 12.304 9.219 1.00 0.38 H new ATOM 0 HG2 MET A 117 0.478 9.463 8.339 1.00 0.48 H new ATOM 0 HG3 MET A 117 -0.168 10.660 7.233 1.00 0.48 H new ATOM 0 HE1 MET A 117 4.007 9.772 7.996 1.00 0.92 H new ATOM 0 HE2 MET A 117 2.565 8.985 8.680 1.00 0.92 H new ATOM 0 HE3 MET A 117 2.774 9.080 6.915 1.00 0.92 H new ATOM 1779 N ASP A 118 -1.007 11.440 12.577 1.00 0.27 N ATOM 1780 CA ASP A 118 -1.302 12.253 13.753 1.00 0.34 C ATOM 1781 C ASP A 118 -0.193 12.109 14.778 1.00 0.33 C ATOM 1782 O ASP A 118 -0.024 12.954 15.657 1.00 0.47 O ATOM 1783 CB ASP A 118 -2.633 11.835 14.376 1.00 0.39 C ATOM 1784 CG ASP A 118 -2.734 10.341 14.578 1.00 0.55 C ATOM 1785 OD1 ASP A 118 -2.867 9.614 13.568 1.00 0.67 O ATOM 1786 OD2 ASP A 118 -2.721 9.890 15.741 1.00 0.76 O ATOM 0 H ASP A 118 -1.583 10.603 12.491 1.00 0.27 H new ATOM 0 HA ASP A 118 -1.372 13.295 13.440 1.00 0.34 H new ATOM 0 HB2 ASP A 118 -2.755 12.337 15.336 1.00 0.39 H new ATOM 0 HB3 ASP A 118 -3.450 12.168 13.736 1.00 0.39 H new ATOM 1791 N LYS A 119 0.550 11.028 14.660 1.00 0.23 N ATOM 1792 CA LYS A 119 1.667 10.762 15.536 1.00 0.26 C ATOM 1793 C LYS A 119 2.950 11.333 14.944 1.00 0.28 C ATOM 1794 O LYS A 119 3.210 11.178 13.758 1.00 0.26 O ATOM 1795 CB LYS A 119 1.817 9.256 15.726 1.00 0.29 C ATOM 1796 CG LYS A 119 0.599 8.600 16.353 1.00 0.36 C ATOM 1797 CD LYS A 119 0.826 7.118 16.599 1.00 0.72 C ATOM 1798 CE LYS A 119 2.029 6.863 17.491 1.00 0.87 C ATOM 1799 NZ LYS A 119 1.855 7.440 18.850 1.00 1.17 N ATOM 0 H LYS A 119 0.394 10.310 13.953 1.00 0.23 H new ATOM 0 HA LYS A 119 1.482 11.236 16.500 1.00 0.26 H new ATOM 0 HB2 LYS A 119 2.011 8.793 14.758 1.00 0.29 H new ATOM 0 HB3 LYS A 119 2.687 9.062 16.353 1.00 0.29 H new ATOM 0 HG2 LYS A 119 0.364 9.094 17.296 1.00 0.36 H new ATOM 0 HG3 LYS A 119 -0.263 8.733 15.700 1.00 0.36 H new ATOM 0 HD2 LYS A 119 -0.063 6.687 17.059 1.00 0.72 H new ATOM 0 HD3 LYS A 119 0.969 6.611 15.645 1.00 0.72 H new ATOM 0 HE2 LYS A 119 2.197 5.789 17.573 1.00 0.87 H new ATOM 0 HE3 LYS A 119 2.919 7.290 17.028 1.00 0.87 H new ATOM 0 HZ1 LYS A 119 2.738 7.331 19.389 1.00 1.17 H new ATOM 0 HZ2 LYS A 119 1.620 8.450 18.771 1.00 1.17 H new ATOM 0 HZ3 LYS A 119 1.085 6.943 19.342 1.00 1.17 H new ATOM 1813 N PRO A 120 3.763 12.011 15.771 1.00 0.38 N ATOM 1814 CA PRO A 120 5.089 12.495 15.361 1.00 0.45 C ATOM 1815 C PRO A 120 6.028 11.332 15.061 1.00 0.40 C ATOM 1816 O PRO A 120 7.079 11.495 14.440 1.00 0.45 O ATOM 1817 CB PRO A 120 5.585 13.280 16.578 1.00 0.57 C ATOM 1818 CG PRO A 120 4.788 12.763 17.726 1.00 0.58 C ATOM 1819 CD PRO A 120 3.450 12.380 17.160 1.00 0.48 C ATOM 0 HA PRO A 120 5.050 13.095 14.452 1.00 0.45 H new ATOM 0 HB2 PRO A 120 6.652 13.126 16.738 1.00 0.57 H new ATOM 0 HB3 PRO A 120 5.434 14.351 16.444 1.00 0.57 H new ATOM 0 HG2 PRO A 120 5.278 11.905 18.186 1.00 0.58 H new ATOM 0 HG3 PRO A 120 4.681 13.522 18.501 1.00 0.58 H new ATOM 0 HD2 PRO A 120 3.005 11.548 17.707 1.00 0.48 H new ATOM 0 HD3 PRO A 120 2.742 13.207 17.207 1.00 0.48 H new ATOM 1827 N GLU A 121 5.616 10.156 15.518 1.00 0.35 N ATOM 1828 CA GLU A 121 6.345 8.916 15.287 1.00 0.37 C ATOM 1829 C GLU A 121 6.086 8.399 13.873 1.00 0.30 C ATOM 1830 O GLU A 121 6.559 7.327 13.491 1.00 0.37 O ATOM 1831 CB GLU A 121 5.918 7.875 16.320 1.00 0.48 C ATOM 1832 CG GLU A 121 6.027 8.384 17.747 1.00 0.62 C ATOM 1833 CD GLU A 121 5.595 7.359 18.775 1.00 1.04 C ATOM 1834 OE1 GLU A 121 6.329 6.372 18.986 1.00 1.40 O ATOM 1835 OE2 GLU A 121 4.514 7.533 19.372 1.00 1.45 O ATOM 0 H GLU A 121 4.762 10.035 16.062 1.00 0.35 H new ATOM 0 HA GLU A 121 7.413 9.106 15.389 1.00 0.37 H new ATOM 0 HB2 GLU A 121 4.889 7.575 16.123 1.00 0.48 H new ATOM 0 HB3 GLU A 121 6.536 6.984 16.208 1.00 0.48 H new ATOM 0 HG2 GLU A 121 7.058 8.677 17.945 1.00 0.62 H new ATOM 0 HG3 GLU A 121 5.415 9.279 17.855 1.00 0.62 H new ATOM 1842 N ALA A 122 5.306 9.170 13.122 1.00 0.24 N ATOM 1843 CA ALA A 122 5.033 8.892 11.719 1.00 0.22 C ATOM 1844 C ALA A 122 6.328 8.791 10.927 1.00 0.21 C ATOM 1845 O ALA A 122 7.008 9.790 10.709 1.00 0.26 O ATOM 1846 CB ALA A 122 4.152 9.986 11.138 1.00 0.27 C ATOM 0 H ALA A 122 4.844 10.009 13.473 1.00 0.24 H new ATOM 0 HA ALA A 122 4.513 7.936 11.650 1.00 0.22 H new ATOM 0 HB1 ALA A 122 3.951 9.772 10.088 1.00 0.27 H new ATOM 0 HB2 ALA A 122 3.211 10.025 11.687 1.00 0.27 H new ATOM 0 HB3 ALA A 122 4.661 10.946 11.222 1.00 0.27 H new ATOM 1852 N ASN A 123 6.673 7.582 10.515 1.00 0.21 N ATOM 1853 CA ASN A 123 7.788 7.381 9.604 1.00 0.23 C ATOM 1854 C ASN A 123 7.221 6.794 8.334 1.00 0.23 C ATOM 1855 O ASN A 123 7.353 5.602 8.060 1.00 0.25 O ATOM 1856 CB ASN A 123 8.837 6.427 10.186 1.00 0.26 C ATOM 1857 CG ASN A 123 10.239 6.832 9.874 1.00 0.42 C ATOM 1858 OD1 ASN A 123 10.410 7.531 8.793 1.00 0.95 O flip ATOM 1859 ND2 ASN A 123 11.174 6.522 10.618 1.00 0.52 N flip ATOM 0 H ASN A 123 6.197 6.725 10.797 1.00 0.21 H new ATOM 0 HA ASN A 123 8.288 8.333 9.424 1.00 0.23 H new ATOM 0 HB2 ASN A 123 8.713 6.377 11.268 1.00 0.26 H new ATOM 0 HB3 ASN A 123 8.661 5.424 9.798 1.00 0.26 H new ATOM 0 HD21 ASN A 123 10.996 5.972 11.458 1.00 0.52 H new ATOM 0 HD22 ASN A 123 12.124 6.816 10.393 1.00 0.52 H new ATOM 1866 N PRO A 124 6.586 7.649 7.537 1.00 0.25 N ATOM 1867 CA PRO A 124 5.759 7.223 6.414 1.00 0.32 C ATOM 1868 C PRO A 124 6.533 6.513 5.346 1.00 0.33 C ATOM 1869 O PRO A 124 6.351 5.326 5.130 1.00 0.35 O ATOM 1870 CB PRO A 124 5.195 8.525 5.879 1.00 0.40 C ATOM 1871 CG PRO A 124 6.146 9.578 6.328 1.00 0.32 C ATOM 1872 CD PRO A 124 6.632 9.116 7.664 1.00 0.27 C ATOM 0 HA PRO A 124 5.003 6.504 6.728 1.00 0.32 H new ATOM 0 HB2 PRO A 124 5.117 8.503 4.792 1.00 0.40 H new ATOM 0 HB3 PRO A 124 4.193 8.709 6.267 1.00 0.40 H new ATOM 0 HG2 PRO A 124 6.971 9.690 5.625 1.00 0.32 H new ATOM 0 HG3 PRO A 124 5.655 10.548 6.401 1.00 0.32 H new ATOM 0 HD2 PRO A 124 7.640 9.473 7.873 1.00 0.27 H new ATOM 0 HD3 PRO A 124 5.994 9.472 8.472 1.00 0.27 H new ATOM 1880 N ASP A 125 7.411 7.240 4.702 1.00 0.37 N ATOM 1881 CA ASP A 125 8.205 6.698 3.623 1.00 0.44 C ATOM 1882 C ASP A 125 9.134 5.604 4.120 1.00 0.34 C ATOM 1883 O ASP A 125 9.754 4.910 3.323 1.00 0.33 O ATOM 1884 CB ASP A 125 9.002 7.804 2.949 1.00 0.61 C ATOM 1885 CG ASP A 125 8.110 8.793 2.217 1.00 0.99 C ATOM 1886 OD1 ASP A 125 7.298 9.479 2.874 1.00 1.44 O ATOM 1887 OD2 ASP A 125 8.217 8.892 0.972 1.00 1.13 O ATOM 0 H ASP A 125 7.597 8.221 4.908 1.00 0.37 H new ATOM 0 HA ASP A 125 7.527 6.256 2.893 1.00 0.44 H new ATOM 0 HB2 ASP A 125 9.590 8.334 3.699 1.00 0.61 H new ATOM 0 HB3 ASP A 125 9.707 7.363 2.244 1.00 0.61 H new ATOM 1892 N ARG A 126 9.227 5.433 5.438 1.00 0.31 N ATOM 1893 CA ARG A 126 10.007 4.331 5.970 1.00 0.31 C ATOM 1894 C ARG A 126 9.177 3.066 5.940 1.00 0.27 C ATOM 1895 O ARG A 126 9.580 2.057 5.370 1.00 0.30 O ATOM 1896 CB ARG A 126 10.467 4.600 7.395 1.00 0.35 C ATOM 1897 CG ARG A 126 11.305 3.466 7.967 1.00 0.51 C ATOM 1898 CD ARG A 126 12.529 3.187 7.104 1.00 1.24 C ATOM 1899 NE ARG A 126 12.815 1.755 7.008 1.00 1.92 N ATOM 1900 CZ ARG A 126 14.004 1.207 7.250 1.00 2.94 C ATOM 1901 NH1 ARG A 126 15.035 1.966 7.595 1.00 3.49 N ATOM 1902 NH2 ARG A 126 14.152 -0.106 7.137 1.00 3.79 N ATOM 0 H ARG A 126 8.783 6.029 6.136 1.00 0.31 H new ATOM 0 HA ARG A 126 10.894 4.217 5.347 1.00 0.31 H new ATOM 0 HB2 ARG A 126 11.048 5.522 7.417 1.00 0.35 H new ATOM 0 HB3 ARG A 126 9.595 4.758 8.030 1.00 0.35 H new ATOM 0 HG2 ARG A 126 11.622 3.721 8.978 1.00 0.51 H new ATOM 0 HG3 ARG A 126 10.697 2.564 8.041 1.00 0.51 H new ATOM 0 HD2 ARG A 126 12.369 3.593 6.105 1.00 1.24 H new ATOM 0 HD3 ARG A 126 13.393 3.702 7.523 1.00 1.24 H new ATOM 0 HE ARG A 126 12.052 1.135 6.737 1.00 1.92 H new ATOM 0 HH11 ARG A 126 14.920 2.976 7.676 1.00 3.49 H new ATOM 0 HH12 ARG A 126 15.943 1.540 7.779 1.00 3.49 H new ATOM 0 HH21 ARG A 126 13.359 -0.687 6.867 1.00 3.79 H new ATOM 0 HH22 ARG A 126 15.059 -0.535 7.320 1.00 3.79 H new ATOM 1916 N VAL A 127 8.001 3.147 6.537 1.00 0.25 N ATOM 1917 CA VAL A 127 7.090 2.008 6.590 1.00 0.28 C ATOM 1918 C VAL A 127 6.552 1.712 5.195 1.00 0.28 C ATOM 1919 O VAL A 127 6.207 0.582 4.866 1.00 0.33 O ATOM 1920 CB VAL A 127 5.941 2.245 7.597 1.00 0.36 C ATOM 1921 CG1 VAL A 127 6.530 2.565 8.956 1.00 0.59 C ATOM 1922 CG2 VAL A 127 4.983 3.349 7.151 1.00 0.44 C ATOM 0 H VAL A 127 7.651 3.989 6.994 1.00 0.25 H new ATOM 0 HA VAL A 127 7.645 1.139 6.943 1.00 0.28 H new ATOM 0 HB VAL A 127 5.350 1.331 7.651 1.00 0.36 H new ATOM 0 HG11 VAL A 127 5.725 2.733 9.671 1.00 0.59 H new ATOM 0 HG12 VAL A 127 7.145 1.730 9.292 1.00 0.59 H new ATOM 0 HG13 VAL A 127 7.145 3.462 8.884 1.00 0.59 H new ATOM 0 HG21 VAL A 127 4.197 3.472 7.896 1.00 0.44 H new ATOM 0 HG22 VAL A 127 5.531 4.285 7.044 1.00 0.44 H new ATOM 0 HG23 VAL A 127 4.537 3.079 6.194 1.00 0.44 H new ATOM 1932 N MET A 128 6.542 2.755 4.385 1.00 0.27 N ATOM 1933 CA MET A 128 6.177 2.702 2.978 1.00 0.31 C ATOM 1934 C MET A 128 7.268 1.982 2.173 1.00 0.26 C ATOM 1935 O MET A 128 6.996 1.314 1.178 1.00 0.35 O ATOM 1936 CB MET A 128 6.001 4.155 2.526 1.00 0.52 C ATOM 1937 CG MET A 128 5.757 4.398 1.057 1.00 0.81 C ATOM 1938 SD MET A 128 5.618 6.175 0.727 1.00 0.67 S ATOM 1939 CE MET A 128 4.538 6.225 -0.695 1.00 0.46 C ATOM 0 H MET A 128 6.795 3.693 4.697 1.00 0.27 H new ATOM 0 HA MET A 128 5.256 2.141 2.817 1.00 0.31 H new ATOM 0 HB2 MET A 128 5.166 4.582 3.082 1.00 0.52 H new ATOM 0 HB3 MET A 128 6.894 4.709 2.816 1.00 0.52 H new ATOM 0 HG2 MET A 128 6.573 3.975 0.471 1.00 0.81 H new ATOM 0 HG3 MET A 128 4.844 3.891 0.744 1.00 0.81 H new ATOM 0 HE1 MET A 128 3.793 7.009 -0.559 1.00 0.46 H new ATOM 0 HE2 MET A 128 5.124 6.433 -1.590 1.00 0.46 H new ATOM 0 HE3 MET A 128 4.037 5.263 -0.805 1.00 0.46 H new ATOM 1949 N GLN A 129 8.506 2.129 2.624 1.00 0.24 N ATOM 1950 CA GLN A 129 9.633 1.383 2.052 1.00 0.27 C ATOM 1951 C GLN A 129 9.582 -0.085 2.453 1.00 0.30 C ATOM 1952 O GLN A 129 9.906 -0.959 1.653 1.00 0.33 O ATOM 1953 CB GLN A 129 10.969 1.994 2.477 1.00 0.32 C ATOM 1954 CG GLN A 129 11.523 2.996 1.477 1.00 0.42 C ATOM 1955 CD GLN A 129 12.725 3.751 2.012 1.00 0.54 C ATOM 1956 OE1 GLN A 129 13.868 3.327 1.848 1.00 1.17 O ATOM 1957 NE2 GLN A 129 12.471 4.874 2.664 1.00 1.31 N ATOM 0 H GLN A 129 8.762 2.758 3.385 1.00 0.24 H new ATOM 0 HA GLN A 129 9.549 1.449 0.967 1.00 0.27 H new ATOM 0 HB2 GLN A 129 10.844 2.486 3.441 1.00 0.32 H new ATOM 0 HB3 GLN A 129 11.696 1.195 2.619 1.00 0.32 H new ATOM 0 HG2 GLN A 129 11.804 2.473 0.563 1.00 0.42 H new ATOM 0 HG3 GLN A 129 10.741 3.707 1.210 1.00 0.42 H new ATOM 0 HE21 GLN A 129 11.508 5.191 2.778 1.00 1.31 H new ATOM 0 HE22 GLN A 129 13.238 5.423 3.053 1.00 1.31 H new ATOM 1966 N GLU A 130 9.174 -0.357 3.689 1.00 0.37 N ATOM 1967 CA GLU A 130 8.992 -1.735 4.153 1.00 0.43 C ATOM 1968 C GLU A 130 7.951 -2.415 3.292 1.00 0.36 C ATOM 1969 O GLU A 130 7.983 -3.620 3.053 1.00 0.35 O ATOM 1970 CB GLU A 130 8.525 -1.754 5.602 1.00 0.61 C ATOM 1971 CG GLU A 130 9.290 -0.797 6.481 1.00 0.63 C ATOM 1972 CD GLU A 130 10.761 -1.147 6.563 1.00 1.04 C ATOM 1973 OE1 GLU A 130 11.105 -2.113 7.272 1.00 1.63 O ATOM 1974 OE2 GLU A 130 11.579 -0.465 5.910 1.00 1.64 O ATOM 0 H GLU A 130 8.963 0.355 4.389 1.00 0.37 H new ATOM 0 HA GLU A 130 9.945 -2.259 4.081 1.00 0.43 H new ATOM 0 HB2 GLU A 130 7.465 -1.504 5.639 1.00 0.61 H new ATOM 0 HB3 GLU A 130 8.629 -2.764 5.998 1.00 0.61 H new ATOM 0 HG2 GLU A 130 9.180 0.216 6.094 1.00 0.63 H new ATOM 0 HG3 GLU A 130 8.860 -0.804 7.483 1.00 0.63 H new ATOM 1981 N LEU A 131 7.033 -1.597 2.824 1.00 0.36 N ATOM 1982 CA LEU A 131 5.986 -2.037 1.939 1.00 0.37 C ATOM 1983 C LEU A 131 6.585 -2.524 0.633 1.00 0.29 C ATOM 1984 O LEU A 131 6.216 -3.583 0.134 1.00 0.32 O ATOM 1985 CB LEU A 131 5.002 -0.889 1.709 1.00 0.49 C ATOM 1986 CG LEU A 131 4.237 -0.469 2.964 1.00 0.71 C ATOM 1987 CD1 LEU A 131 3.556 0.871 2.789 1.00 1.36 C ATOM 1988 CD2 LEU A 131 3.210 -1.509 3.303 1.00 1.18 C ATOM 0 H LEU A 131 6.995 -0.603 3.050 1.00 0.36 H new ATOM 0 HA LEU A 131 5.444 -2.869 2.388 1.00 0.37 H new ATOM 0 HB2 LEU A 131 5.547 -0.028 1.322 1.00 0.49 H new ATOM 0 HB3 LEU A 131 4.287 -1.185 0.941 1.00 0.49 H new ATOM 0 HG LEU A 131 4.960 -0.375 3.774 1.00 0.71 H new ATOM 0 HD11 LEU A 131 3.024 1.131 3.704 1.00 1.36 H new ATOM 0 HD12 LEU A 131 4.304 1.634 2.575 1.00 1.36 H new ATOM 0 HD13 LEU A 131 2.848 0.814 1.962 1.00 1.36 H new ATOM 0 HD21 LEU A 131 2.667 -1.206 4.198 1.00 1.18 H new ATOM 0 HD22 LEU A 131 2.511 -1.615 2.473 1.00 1.18 H new ATOM 0 HD23 LEU A 131 3.705 -2.463 3.484 1.00 1.18 H new ATOM 2000 N MET A 132 7.554 -1.785 0.101 1.00 0.25 N ATOM 2001 CA MET A 132 8.166 -2.177 -1.157 1.00 0.26 C ATOM 2002 C MET A 132 9.119 -3.349 -0.956 1.00 0.30 C ATOM 2003 O MET A 132 9.519 -4.000 -1.920 1.00 0.37 O ATOM 2004 CB MET A 132 8.898 -1.017 -1.842 1.00 0.32 C ATOM 2005 CG MET A 132 10.337 -0.820 -1.379 1.00 0.88 C ATOM 2006 SD MET A 132 11.199 0.458 -2.316 1.00 1.60 S ATOM 2007 CE MET A 132 10.752 0.005 -3.992 1.00 1.61 C ATOM 0 H MET A 132 7.924 -0.929 0.514 1.00 0.25 H new ATOM 0 HA MET A 132 7.353 -2.484 -1.815 1.00 0.26 H new ATOM 0 HB2 MET A 132 8.896 -1.187 -2.919 1.00 0.32 H new ATOM 0 HB3 MET A 132 8.342 -0.096 -1.663 1.00 0.32 H new ATOM 0 HG2 MET A 132 10.341 -0.555 -0.322 1.00 0.88 H new ATOM 0 HG3 MET A 132 10.877 -1.762 -1.474 1.00 0.88 H new ATOM 0 HE1 MET A 132 11.471 0.435 -4.689 1.00 1.61 H new ATOM 0 HE2 MET A 132 10.757 -1.081 -4.089 1.00 1.61 H new ATOM 0 HE3 MET A 132 9.756 0.385 -4.218 1.00 1.61 H new ATOM 2017 N GLU A 133 9.477 -3.617 0.292 1.00 0.32 N ATOM 2018 CA GLU A 133 10.289 -4.774 0.612 1.00 0.40 C ATOM 2019 C GLU A 133 9.441 -6.021 0.443 1.00 0.38 C ATOM 2020 O GLU A 133 9.938 -7.109 0.154 1.00 0.45 O ATOM 2021 CB GLU A 133 10.812 -4.673 2.040 1.00 0.54 C ATOM 2022 CG GLU A 133 11.743 -3.495 2.258 1.00 0.79 C ATOM 2023 CD GLU A 133 13.069 -3.665 1.549 1.00 1.07 C ATOM 2024 OE1 GLU A 133 13.980 -4.300 2.123 1.00 1.53 O ATOM 2025 OE2 GLU A 133 13.208 -3.177 0.411 1.00 1.67 O ATOM 0 H GLU A 133 9.216 -3.047 1.097 1.00 0.32 H new ATOM 0 HA GLU A 133 11.148 -4.821 -0.057 1.00 0.40 H new ATOM 0 HB2 GLU A 133 9.967 -4.590 2.724 1.00 0.54 H new ATOM 0 HB3 GLU A 133 11.338 -5.594 2.293 1.00 0.54 H new ATOM 0 HG2 GLU A 133 11.260 -2.584 1.905 1.00 0.79 H new ATOM 0 HG3 GLU A 133 11.919 -3.368 3.326 1.00 0.79 H new ATOM 2032 N TYR A 134 8.141 -5.832 0.623 1.00 0.35 N ATOM 2033 CA TYR A 134 7.163 -6.868 0.387 1.00 0.40 C ATOM 2034 C TYR A 134 6.538 -6.647 -0.991 1.00 0.41 C ATOM 2035 O TYR A 134 5.437 -7.108 -1.286 1.00 0.50 O ATOM 2036 CB TYR A 134 6.122 -6.855 1.506 1.00 0.46 C ATOM 2037 CG TYR A 134 6.670 -7.323 2.851 1.00 0.55 C ATOM 2038 CD1 TYR A 134 7.944 -6.971 3.296 1.00 0.88 C ATOM 2039 CD2 TYR A 134 5.894 -8.119 3.681 1.00 0.98 C ATOM 2040 CE1 TYR A 134 8.411 -7.405 4.524 1.00 0.95 C ATOM 2041 CE2 TYR A 134 6.355 -8.556 4.903 1.00 1.08 C ATOM 2042 CZ TYR A 134 7.730 -8.158 5.287 1.00 0.80 C ATOM 2043 OH TYR A 134 8.067 -8.629 6.544 1.00 0.95 O ATOM 0 H TYR A 134 7.740 -4.949 0.939 1.00 0.35 H new ATOM 0 HA TYR A 134 7.630 -7.853 0.393 1.00 0.40 H new ATOM 0 HB2 TYR A 134 5.729 -5.844 1.614 1.00 0.46 H new ATOM 0 HB3 TYR A 134 5.286 -7.493 1.221 1.00 0.46 H new ATOM 0 HD1 TYR A 134 8.574 -6.352 2.674 1.00 0.88 H new ATOM 0 HD2 TYR A 134 4.903 -8.403 3.361 1.00 0.98 H new ATOM 0 HE1 TYR A 134 9.393 -7.091 4.846 1.00 0.95 H new ATOM 0 HE2 TYR A 134 5.741 -9.162 5.553 1.00 1.08 H new ATOM 0 HH TYR A 134 7.340 -9.189 6.889 1.00 0.95 H new ATOM 2053 N ASN A 135 7.300 -5.920 -1.818 1.00 0.36 N ATOM 2054 CA ASN A 135 6.940 -5.571 -3.190 1.00 0.43 C ATOM 2055 C ASN A 135 5.587 -4.870 -3.260 1.00 0.48 C ATOM 2056 O ASN A 135 4.647 -5.329 -3.908 1.00 0.64 O ATOM 2057 CB ASN A 135 7.004 -6.807 -4.101 1.00 0.58 C ATOM 2058 CG ASN A 135 6.830 -6.490 -5.561 1.00 0.71 C ATOM 2059 OD1 ASN A 135 5.724 -6.526 -6.097 1.00 0.89 O ATOM 2060 ND2 ASN A 135 7.916 -6.201 -6.221 1.00 1.10 N ATOM 0 H ASN A 135 8.209 -5.550 -1.539 1.00 0.36 H new ATOM 0 HA ASN A 135 7.675 -4.855 -3.559 1.00 0.43 H new ATOM 0 HB2 ASN A 135 7.963 -7.304 -3.958 1.00 0.58 H new ATOM 0 HB3 ASN A 135 6.231 -7.513 -3.797 1.00 0.58 H new ATOM 0 HD21 ASN A 135 7.867 -5.994 -7.219 1.00 1.10 H new ATOM 0 HD22 ASN A 135 8.815 -6.181 -5.740 1.00 1.10 H new ATOM 2067 N LEU A 136 5.495 -3.770 -2.539 1.00 0.44 N ATOM 2068 CA LEU A 136 4.399 -2.838 -2.677 1.00 0.54 C ATOM 2069 C LEU A 136 4.947 -1.492 -3.095 1.00 0.41 C ATOM 2070 O LEU A 136 5.643 -0.829 -2.327 1.00 0.47 O ATOM 2071 CB LEU A 136 3.668 -2.713 -1.364 1.00 0.78 C ATOM 2072 CG LEU A 136 2.977 -3.982 -0.895 1.00 0.64 C ATOM 2073 CD1 LEU A 136 2.636 -3.869 0.576 1.00 1.36 C ATOM 2074 CD2 LEU A 136 1.734 -4.238 -1.732 1.00 1.17 C ATOM 0 H LEU A 136 6.184 -3.498 -1.837 1.00 0.44 H new ATOM 0 HA LEU A 136 3.702 -3.198 -3.433 1.00 0.54 H new ATOM 0 HB2 LEU A 136 4.377 -2.398 -0.598 1.00 0.78 H new ATOM 0 HB3 LEU A 136 2.923 -1.922 -1.453 1.00 0.78 H new ATOM 0 HG LEU A 136 3.649 -4.830 -1.023 1.00 0.64 H new ATOM 0 HD11 LEU A 136 2.141 -4.782 0.906 1.00 1.36 H new ATOM 0 HD12 LEU A 136 3.550 -3.724 1.151 1.00 1.36 H new ATOM 0 HD13 LEU A 136 1.971 -3.019 0.731 1.00 1.36 H new ATOM 0 HD21 LEU A 136 1.245 -5.150 -1.388 1.00 1.17 H new ATOM 0 HD22 LEU A 136 1.047 -3.398 -1.630 1.00 1.17 H new ATOM 0 HD23 LEU A 136 2.017 -4.350 -2.779 1.00 1.17 H new ATOM 2086 N VAL A 137 4.650 -1.085 -4.310 1.00 0.31 N ATOM 2087 CA VAL A 137 5.287 0.090 -4.863 1.00 0.27 C ATOM 2088 C VAL A 137 4.268 1.167 -5.188 1.00 0.29 C ATOM 2089 O VAL A 137 3.360 0.968 -5.998 1.00 0.33 O ATOM 2090 CB VAL A 137 6.116 -0.246 -6.111 1.00 0.29 C ATOM 2091 CG1 VAL A 137 6.680 1.024 -6.727 1.00 0.43 C ATOM 2092 CG2 VAL A 137 7.237 -1.204 -5.742 1.00 0.41 C ATOM 0 H VAL A 137 3.980 -1.544 -4.927 1.00 0.31 H new ATOM 0 HA VAL A 137 5.965 0.471 -4.099 1.00 0.27 H new ATOM 0 HB VAL A 137 5.472 -0.726 -6.848 1.00 0.29 H new ATOM 0 HG11 VAL A 137 7.265 0.771 -7.611 1.00 0.43 H new ATOM 0 HG12 VAL A 137 5.861 1.685 -7.011 1.00 0.43 H new ATOM 0 HG13 VAL A 137 7.318 1.528 -6.001 1.00 0.43 H new ATOM 0 HG21 VAL A 137 7.822 -1.439 -6.631 1.00 0.41 H new ATOM 0 HG22 VAL A 137 7.882 -0.740 -4.996 1.00 0.41 H new ATOM 0 HG23 VAL A 137 6.812 -2.121 -5.334 1.00 0.41 H new ATOM 2102 N PRO A 138 4.406 2.309 -4.504 1.00 0.34 N ATOM 2103 CA PRO A 138 3.556 3.471 -4.681 1.00 0.43 C ATOM 2104 C PRO A 138 3.509 3.978 -6.098 1.00 0.43 C ATOM 2105 O PRO A 138 4.244 3.541 -6.985 1.00 0.45 O ATOM 2106 CB PRO A 138 4.194 4.549 -3.812 1.00 0.53 C ATOM 2107 CG PRO A 138 5.049 3.831 -2.840 1.00 0.54 C ATOM 2108 CD PRO A 138 5.392 2.509 -3.446 1.00 0.39 C ATOM 0 HA PRO A 138 2.530 3.215 -4.418 1.00 0.43 H new ATOM 0 HB2 PRO A 138 4.783 5.240 -4.415 1.00 0.53 H new ATOM 0 HB3 PRO A 138 3.434 5.140 -3.302 1.00 0.53 H new ATOM 0 HG2 PRO A 138 5.952 4.402 -2.626 1.00 0.54 H new ATOM 0 HG3 PRO A 138 4.526 3.696 -1.893 1.00 0.54 H new ATOM 0 HD2 PRO A 138 6.406 2.510 -3.847 1.00 0.39 H new ATOM 0 HD3 PRO A 138 5.343 1.711 -2.705 1.00 0.39 H new ATOM 2116 N GLU A 139 2.672 4.960 -6.259 1.00 0.48 N ATOM 2117 CA GLU A 139 2.485 5.612 -7.545 1.00 0.56 C ATOM 2118 C GLU A 139 3.621 6.589 -7.787 1.00 0.56 C ATOM 2119 O GLU A 139 4.041 6.798 -8.924 1.00 0.64 O ATOM 2120 CB GLU A 139 1.137 6.334 -7.630 1.00 0.71 C ATOM 2121 CG GLU A 139 0.225 6.114 -6.435 1.00 1.35 C ATOM 2122 CD GLU A 139 0.634 6.899 -5.206 1.00 2.40 C ATOM 2123 OE1 GLU A 139 1.466 6.397 -4.427 1.00 3.08 O ATOM 2124 OE2 GLU A 139 0.136 8.030 -5.030 1.00 2.78 O ATOM 0 H GLU A 139 2.094 5.340 -5.509 1.00 0.48 H new ATOM 0 HA GLU A 139 2.489 4.843 -8.317 1.00 0.56 H new ATOM 0 HB2 GLU A 139 1.319 7.403 -7.740 1.00 0.71 H new ATOM 0 HB3 GLU A 139 0.619 6.005 -8.531 1.00 0.71 H new ATOM 0 HG2 GLU A 139 -0.793 6.390 -6.710 1.00 1.35 H new ATOM 0 HG3 GLU A 139 0.212 5.052 -6.190 1.00 1.35 H new ATOM 2131 N GLU A 140 4.125 7.163 -6.697 1.00 0.54 N ATOM 2132 CA GLU A 140 5.307 8.021 -6.750 1.00 0.60 C ATOM 2133 C GLU A 140 6.477 7.243 -7.331 1.00 0.56 C ATOM 2134 O GLU A 140 7.320 7.786 -8.046 1.00 0.65 O ATOM 2135 CB GLU A 140 5.720 8.468 -5.342 1.00 0.67 C ATOM 2136 CG GLU A 140 4.580 8.877 -4.443 1.00 0.63 C ATOM 2137 CD GLU A 140 4.022 10.237 -4.789 1.00 1.12 C ATOM 2138 OE1 GLU A 140 4.738 11.236 -4.583 1.00 1.27 O ATOM 2139 OE2 GLU A 140 2.873 10.318 -5.260 1.00 1.57 O ATOM 0 H GLU A 140 3.732 7.049 -5.763 1.00 0.54 H new ATOM 0 HA GLU A 140 5.060 8.887 -7.364 1.00 0.60 H new ATOM 0 HB2 GLU A 140 6.266 7.654 -4.864 1.00 0.67 H new ATOM 0 HB3 GLU A 140 6.411 9.306 -5.431 1.00 0.67 H new ATOM 0 HG2 GLU A 140 3.785 8.135 -4.511 1.00 0.63 H new ATOM 0 HG3 GLU A 140 4.923 8.882 -3.408 1.00 0.63 H new ATOM 2146 N TRP A 141 6.503 5.956 -7.009 1.00 0.47 N ATOM 2147 CA TRP A 141 7.669 5.134 -7.222 1.00 0.49 C ATOM 2148 C TRP A 141 7.550 4.347 -8.521 1.00 0.51 C ATOM 2149 O TRP A 141 8.501 3.695 -8.957 1.00 0.66 O ATOM 2150 CB TRP A 141 7.847 4.195 -6.038 1.00 0.45 C ATOM 2151 CG TRP A 141 7.949 4.882 -4.695 1.00 0.46 C ATOM 2152 CD1 TRP A 141 7.635 6.178 -4.393 1.00 0.54 C ATOM 2153 CD2 TRP A 141 8.375 4.291 -3.465 1.00 0.44 C ATOM 2154 NE1 TRP A 141 7.856 6.428 -3.061 1.00 0.55 N ATOM 2155 CE2 TRP A 141 8.309 5.284 -2.470 1.00 0.49 C ATOM 2156 CE3 TRP A 141 8.807 3.015 -3.110 1.00 0.45 C ATOM 2157 CZ2 TRP A 141 8.663 5.039 -1.145 1.00 0.52 C ATOM 2158 CZ3 TRP A 141 9.154 2.773 -1.797 1.00 0.50 C ATOM 2159 CH2 TRP A 141 9.079 3.779 -0.829 1.00 0.52 C ATOM 0 H TRP A 141 5.714 5.461 -6.594 1.00 0.47 H new ATOM 0 HA TRP A 141 8.546 5.776 -7.305 1.00 0.49 H new ATOM 0 HB2 TRP A 141 7.007 3.501 -6.013 1.00 0.45 H new ATOM 0 HB3 TRP A 141 8.747 3.600 -6.196 1.00 0.45 H new ATOM 0 HD1 TRP A 141 7.265 6.903 -5.103 1.00 0.54 H new ATOM 0 HE1 TRP A 141 7.706 7.321 -2.591 1.00 0.55 H new ATOM 0 HE3 TRP A 141 8.869 2.230 -3.849 1.00 0.45 H new ATOM 0 HZ2 TRP A 141 8.610 5.816 -0.397 1.00 0.52 H new ATOM 0 HZ3 TRP A 141 9.490 1.787 -1.511 1.00 0.50 H new ATOM 0 HH2 TRP A 141 9.356 3.554 0.190 1.00 0.52 H new ATOM 2170 N GLY A 142 6.376 4.415 -9.136 1.00 0.45 N ATOM 2171 CA GLY A 142 6.166 3.765 -10.415 1.00 0.50 C ATOM 2172 C GLY A 142 5.716 2.322 -10.287 1.00 0.45 C ATOM 2173 O GLY A 142 6.063 1.487 -11.123 1.00 0.53 O ATOM 0 H GLY A 142 5.563 4.911 -8.770 1.00 0.45 H new ATOM 0 HA2 GLY A 142 5.419 4.323 -10.980 1.00 0.50 H new ATOM 0 HA3 GLY A 142 7.092 3.800 -10.989 1.00 0.50 H new ATOM 2177 N GLY A 143 4.951 2.017 -9.246 1.00 0.39 N ATOM 2178 CA GLY A 143 4.441 0.674 -9.088 1.00 0.41 C ATOM 2179 C GLY A 143 2.986 0.583 -9.467 1.00 0.45 C ATOM 2180 O GLY A 143 2.603 0.986 -10.564 1.00 0.60 O ATOM 0 H GLY A 143 4.678 2.673 -8.514 1.00 0.39 H new ATOM 0 HA2 GLY A 143 5.022 -0.011 -9.706 1.00 0.41 H new ATOM 0 HA3 GLY A 143 4.568 0.356 -8.053 1.00 0.41 H new ATOM 2184 N ASP A 144 2.173 0.086 -8.550 1.00 0.40 N ATOM 2185 CA ASP A 144 0.739 -0.049 -8.798 1.00 0.45 C ATOM 2186 C ASP A 144 -0.050 -0.083 -7.497 1.00 0.33 C ATOM 2187 O ASP A 144 -0.762 -1.054 -7.163 1.00 0.35 O ATOM 2188 CB ASP A 144 0.422 -1.289 -9.630 1.00 0.64 C ATOM 2189 CG ASP A 144 0.345 -1.004 -11.115 1.00 1.33 C ATOM 2190 OD1 ASP A 144 -0.538 -0.225 -11.535 1.00 1.91 O ATOM 2191 OD2 ASP A 144 1.172 -1.549 -11.872 1.00 1.91 O ATOM 0 H ASP A 144 2.475 -0.231 -7.629 1.00 0.40 H new ATOM 0 HA ASP A 144 0.437 0.831 -9.366 1.00 0.45 H new ATOM 0 HB2 ASP A 144 1.186 -2.045 -9.450 1.00 0.64 H new ATOM 0 HB3 ASP A 144 -0.527 -1.710 -9.297 1.00 0.64 H new ATOM 2196 N THR A 145 0.052 1.007 -6.779 1.00 0.26 N ATOM 2197 CA THR A 145 -0.700 1.197 -5.566 1.00 0.24 C ATOM 2198 C THR A 145 -0.764 2.670 -5.214 1.00 0.27 C ATOM 2199 O THR A 145 0.264 3.343 -5.180 1.00 0.37 O ATOM 2200 CB THR A 145 -0.057 0.446 -4.389 1.00 0.25 C ATOM 2201 OG1 THR A 145 -0.063 -0.969 -4.622 1.00 0.30 O ATOM 2202 CG2 THR A 145 -0.794 0.766 -3.108 1.00 0.30 C ATOM 0 H THR A 145 0.661 1.789 -7.020 1.00 0.26 H new ATOM 0 HA THR A 145 -1.702 0.805 -5.739 1.00 0.24 H new ATOM 0 HB THR A 145 0.979 0.772 -4.297 1.00 0.25 H new ATOM 0 HG1 THR A 145 -0.655 -1.174 -5.376 1.00 0.30 H new ATOM 0 HG21 THR A 145 -0.332 0.230 -2.279 1.00 0.30 H new ATOM 0 HG22 THR A 145 -0.746 1.838 -2.919 1.00 0.30 H new ATOM 0 HG23 THR A 145 -1.836 0.461 -3.202 1.00 0.30 H new ATOM 2210 N ILE A 146 -1.962 3.170 -4.964 1.00 0.26 N ATOM 2211 CA ILE A 146 -2.118 4.513 -4.459 1.00 0.28 C ATOM 2212 C ILE A 146 -1.778 4.521 -2.980 1.00 0.23 C ATOM 2213 O ILE A 146 -2.526 3.996 -2.152 1.00 0.24 O ATOM 2214 CB ILE A 146 -3.548 5.034 -4.673 1.00 0.36 C ATOM 2215 CG1 ILE A 146 -3.869 5.146 -6.167 1.00 0.53 C ATOM 2216 CG2 ILE A 146 -3.729 6.371 -3.984 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -3.022 6.164 -6.890 1.00 0.63 C ATOM 0 H ILE A 146 -2.836 2.663 -5.104 1.00 0.26 H new ATOM 0 HA ILE A 146 -1.444 5.173 -5.006 1.00 0.28 H new ATOM 0 HB ILE A 146 -4.244 4.320 -4.232 1.00 0.36 H new ATOM 0 HG12 ILE A 146 -3.730 4.171 -6.635 1.00 0.53 H new ATOM 0 HG13 ILE A 146 -4.920 5.409 -6.286 1.00 0.53 H new ATOM 0 HG21 ILE A 146 -4.746 6.728 -4.144 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -3.548 6.257 -2.915 1.00 0.34 H new ATOM 0 HG23 ILE A 146 -3.023 7.091 -4.396 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -3.303 6.190 -7.943 1.00 0.63 H new ATOM 0 HD12 ILE A 146 -3.179 7.148 -6.448 1.00 0.63 H new ATOM 0 HD13 ILE A 146 -1.970 5.891 -6.802 1.00 0.63 H new ATOM 2229 N PHE A 147 -0.625 5.073 -2.665 1.00 0.25 N ATOM 2230 CA PHE A 147 -0.168 5.151 -1.290 1.00 0.30 C ATOM 2231 C PHE A 147 -0.622 6.448 -0.639 1.00 0.32 C ATOM 2232 O PHE A 147 -0.133 7.526 -0.970 1.00 0.50 O ATOM 2233 CB PHE A 147 1.348 5.076 -1.224 1.00 0.41 C ATOM 2234 CG PHE A 147 1.904 3.685 -1.175 1.00 0.33 C ATOM 2235 CD1 PHE A 147 1.683 2.805 -2.219 1.00 0.32 C ATOM 2236 CD2 PHE A 147 2.618 3.247 -0.080 1.00 0.37 C ATOM 2237 CE1 PHE A 147 2.177 1.519 -2.170 1.00 0.33 C ATOM 2238 CE2 PHE A 147 3.112 1.959 -0.026 1.00 0.36 C ATOM 2239 CZ PHE A 147 2.975 1.126 -1.097 1.00 0.33 C ATOM 0 H PHE A 147 0.018 5.477 -3.346 1.00 0.25 H new ATOM 0 HA PHE A 147 -0.601 4.306 -0.754 1.00 0.30 H new ATOM 0 HB2 PHE A 147 1.762 5.588 -2.093 1.00 0.41 H new ATOM 0 HB3 PHE A 147 1.687 5.620 -0.342 1.00 0.41 H new ATOM 0 HD1 PHE A 147 1.118 3.128 -3.081 1.00 0.32 H new ATOM 0 HD2 PHE A 147 2.793 3.920 0.746 1.00 0.37 H new ATOM 0 HE1 PHE A 147 1.947 0.819 -2.960 1.00 0.33 H new ATOM 0 HE2 PHE A 147 3.609 1.610 0.867 1.00 0.36 H new ATOM 0 HZ PHE A 147 3.480 0.171 -1.114 1.00 0.33 H new ATOM 2249 N CYS A 148 -1.545 6.341 0.291 1.00 0.26 N ATOM 2250 CA CYS A 148 -2.059 7.499 0.993 1.00 0.27 C ATOM 2251 C CYS A 148 -1.500 7.575 2.406 1.00 0.31 C ATOM 2252 O CYS A 148 -1.816 6.752 3.247 1.00 0.53 O ATOM 2253 CB CYS A 148 -3.577 7.451 1.046 1.00 0.30 C ATOM 2254 SG CYS A 148 -4.382 7.586 -0.567 1.00 0.68 S ATOM 0 H CYS A 148 -1.959 5.455 0.582 1.00 0.26 H new ATOM 0 HA CYS A 148 -1.744 8.389 0.448 1.00 0.27 H new ATOM 0 HB2 CYS A 148 -3.883 6.516 1.515 1.00 0.30 H new ATOM 0 HB3 CYS A 148 -3.932 8.259 1.685 1.00 0.30 H new ATOM 0 HG CYS A 148 -5.593 7.121 -0.488 1.00 0.68 H new ATOM 2260 N LYS A 149 -0.669 8.569 2.655 1.00 0.29 N ATOM 2261 CA LYS A 149 -0.098 8.799 3.984 1.00 0.28 C ATOM 2262 C LYS A 149 -1.030 9.694 4.794 1.00 0.28 C ATOM 2263 O LYS A 149 -0.938 10.919 4.750 1.00 0.40 O ATOM 2264 CB LYS A 149 1.311 9.398 3.843 1.00 0.36 C ATOM 2265 CG LYS A 149 1.482 10.241 2.592 1.00 0.56 C ATOM 2266 CD LYS A 149 2.946 10.576 2.317 1.00 0.89 C ATOM 2267 CE LYS A 149 3.707 9.375 1.765 1.00 1.01 C ATOM 2268 NZ LYS A 149 5.112 9.712 1.404 1.00 1.44 N ATOM 0 H LYS A 149 -0.367 9.242 1.950 1.00 0.29 H new ATOM 0 HA LYS A 149 -0.001 7.856 4.522 1.00 0.28 H new ATOM 0 HB2 LYS A 149 1.527 10.011 4.718 1.00 0.36 H new ATOM 0 HB3 LYS A 149 2.042 8.590 3.831 1.00 0.36 H new ATOM 0 HG2 LYS A 149 1.066 9.708 1.737 1.00 0.56 H new ATOM 0 HG3 LYS A 149 0.914 11.165 2.698 1.00 0.56 H new ATOM 0 HD2 LYS A 149 3.003 11.401 1.606 1.00 0.89 H new ATOM 0 HD3 LYS A 149 3.421 10.915 3.238 1.00 0.89 H new ATOM 0 HE2 LYS A 149 3.707 8.576 2.506 1.00 1.01 H new ATOM 0 HE3 LYS A 149 3.190 8.994 0.885 1.00 1.01 H new ATOM 0 HZ1 LYS A 149 5.424 9.106 0.619 1.00 1.44 H new ATOM 0 HZ2 LYS A 149 5.166 10.709 1.114 1.00 1.44 H new ATOM 0 HZ3 LYS A 149 5.729 9.557 2.227 1.00 1.44 H new ATOM 2282 N LEU A 150 -1.931 9.054 5.529 1.00 0.21 N ATOM 2283 CA LEU A 150 -3.024 9.733 6.193 1.00 0.22 C ATOM 2284 C LEU A 150 -2.974 9.548 7.704 1.00 0.19 C ATOM 2285 O LEU A 150 -2.047 8.970 8.271 1.00 0.17 O ATOM 2286 CB LEU A 150 -4.349 9.200 5.653 1.00 0.25 C ATOM 2287 CG LEU A 150 -4.633 7.725 5.901 1.00 0.26 C ATOM 2288 CD1 LEU A 150 -5.528 7.531 7.110 1.00 0.79 C ATOM 2289 CD2 LEU A 150 -5.245 7.094 4.665 1.00 0.84 C ATOM 0 H LEU A 150 -1.919 8.045 5.679 1.00 0.21 H new ATOM 0 HA LEU A 150 -2.933 10.800 5.989 1.00 0.22 H new ATOM 0 HB2 LEU A 150 -5.158 9.783 6.094 1.00 0.25 H new ATOM 0 HB3 LEU A 150 -4.377 9.378 4.578 1.00 0.25 H new ATOM 0 HG LEU A 150 -3.687 7.227 6.113 1.00 0.26 H new ATOM 0 HD11 LEU A 150 -5.712 6.467 7.260 1.00 0.79 H new ATOM 0 HD12 LEU A 150 -5.040 7.943 7.994 1.00 0.79 H new ATOM 0 HD13 LEU A 150 -6.476 8.043 6.947 1.00 0.79 H new ATOM 0 HD21 LEU A 150 -5.443 6.039 4.855 1.00 0.84 H new ATOM 0 HD22 LEU A 150 -6.179 7.601 4.422 1.00 0.84 H new ATOM 0 HD23 LEU A 150 -4.553 7.188 3.828 1.00 0.84 H new ATOM 2301 N SER A 151 -4.015 10.027 8.325 1.00 0.26 N ATOM 2302 CA SER A 151 -4.183 10.016 9.748 1.00 0.29 C ATOM 2303 C SER A 151 -5.670 10.009 10.024 1.00 0.25 C ATOM 2304 O SER A 151 -6.330 11.042 9.893 1.00 0.29 O ATOM 2305 CB SER A 151 -3.564 11.275 10.327 1.00 0.46 C ATOM 2306 OG SER A 151 -3.892 12.401 9.523 1.00 1.77 O ATOM 0 H SER A 151 -4.800 10.452 7.832 1.00 0.26 H new ATOM 0 HA SER A 151 -3.704 9.146 10.197 1.00 0.29 H new ATOM 0 HB2 SER A 151 -3.922 11.430 11.345 1.00 0.46 H new ATOM 0 HB3 SER A 151 -2.481 11.163 10.384 1.00 0.46 H new ATOM 0 HG SER A 151 -3.346 13.168 9.795 1.00 1.77 H new ATOM 2312 N ALA A 152 -6.224 8.862 10.345 1.00 0.28 N ATOM 2313 CA ALA A 152 -7.643 8.802 10.619 1.00 0.31 C ATOM 2314 C ALA A 152 -7.927 9.478 11.940 1.00 0.33 C ATOM 2315 O ALA A 152 -9.056 9.868 12.231 1.00 0.41 O ATOM 2316 CB ALA A 152 -8.138 7.376 10.608 1.00 0.41 C ATOM 0 H ALA A 152 -5.727 7.975 10.422 1.00 0.28 H new ATOM 0 HA ALA A 152 -8.182 9.331 9.833 1.00 0.31 H new ATOM 0 HB1 ALA A 152 -9.208 7.361 10.817 1.00 0.41 H new ATOM 0 HB2 ALA A 152 -7.953 6.934 9.629 1.00 0.41 H new ATOM 0 HB3 ALA A 152 -7.611 6.802 11.370 1.00 0.41 H new ATOM 2322 N LYS A 153 -6.874 9.639 12.728 1.00 0.30 N ATOM 2323 CA LYS A 153 -6.986 10.362 13.987 1.00 0.34 C ATOM 2324 C LYS A 153 -7.063 11.871 13.766 1.00 0.36 C ATOM 2325 O LYS A 153 -7.886 12.540 14.386 1.00 0.49 O ATOM 2326 CB LYS A 153 -5.842 10.009 14.919 1.00 0.35 C ATOM 2327 CG LYS A 153 -6.154 8.865 15.869 1.00 0.60 C ATOM 2328 CD LYS A 153 -6.581 9.362 17.241 1.00 1.12 C ATOM 2329 CE LYS A 153 -5.394 9.525 18.187 1.00 1.65 C ATOM 2330 NZ LYS A 153 -4.411 10.536 17.712 1.00 2.30 N ATOM 0 H LYS A 153 -5.941 9.283 12.521 1.00 0.30 H new ATOM 0 HA LYS A 153 -7.919 10.053 14.459 1.00 0.34 H new ATOM 0 HB2 LYS A 153 -4.968 9.746 14.323 1.00 0.35 H new ATOM 0 HB3 LYS A 153 -5.576 10.891 15.502 1.00 0.35 H new ATOM 0 HG2 LYS A 153 -6.946 8.248 15.445 1.00 0.60 H new ATOM 0 HG3 LYS A 153 -5.275 8.229 15.972 1.00 0.60 H new ATOM 0 HD2 LYS A 153 -7.095 10.318 17.136 1.00 1.12 H new ATOM 0 HD3 LYS A 153 -7.296 8.662 17.674 1.00 1.12 H new ATOM 0 HE2 LYS A 153 -5.758 9.815 19.173 1.00 1.65 H new ATOM 0 HE3 LYS A 153 -4.893 8.564 18.302 1.00 1.65 H new ATOM 0 HZ1 LYS A 153 -3.720 10.729 18.465 1.00 2.30 H new ATOM 0 HZ2 LYS A 153 -3.916 10.172 16.873 1.00 2.30 H new ATOM 0 HZ3 LYS A 153 -4.909 11.415 17.466 1.00 2.30 H new ATOM 2344 N THR A 154 -6.217 12.429 12.894 1.00 0.30 N ATOM 2345 CA THR A 154 -6.312 13.850 12.589 1.00 0.39 C ATOM 2346 C THR A 154 -7.445 14.141 11.614 1.00 0.36 C ATOM 2347 O THR A 154 -7.882 15.284 11.475 1.00 0.41 O ATOM 2348 CB THR A 154 -5.002 14.369 12.004 1.00 0.47 C ATOM 2349 OG1 THR A 154 -3.956 13.468 12.353 1.00 0.50 O ATOM 2350 CG2 THR A 154 -4.683 15.757 12.538 1.00 0.70 C ATOM 0 H THR A 154 -5.478 11.929 12.400 1.00 0.30 H new ATOM 0 HA THR A 154 -6.519 14.363 13.528 1.00 0.39 H new ATOM 0 HB THR A 154 -5.097 14.436 10.920 1.00 0.47 H new ATOM 0 HG1 THR A 154 -3.109 13.790 11.981 1.00 0.50 H new ATOM 0 HG21 THR A 154 -3.745 16.106 12.107 1.00 0.70 H new ATOM 0 HG22 THR A 154 -5.485 16.444 12.267 1.00 0.70 H new ATOM 0 HG23 THR A 154 -4.591 15.717 13.623 1.00 0.70 H new ATOM 2358 N LYS A 155 -7.903 13.087 10.939 1.00 0.30 N ATOM 2359 CA LYS A 155 -9.007 13.175 9.983 1.00 0.32 C ATOM 2360 C LYS A 155 -8.594 13.960 8.753 1.00 0.34 C ATOM 2361 O LYS A 155 -9.324 14.832 8.285 1.00 0.41 O ATOM 2362 CB LYS A 155 -10.253 13.808 10.610 1.00 0.38 C ATOM 2363 CG LYS A 155 -11.122 12.828 11.370 1.00 0.40 C ATOM 2364 CD LYS A 155 -11.536 11.677 10.477 1.00 0.45 C ATOM 2365 CE LYS A 155 -12.711 10.914 11.067 1.00 0.61 C ATOM 2366 NZ LYS A 155 -13.879 11.800 11.334 1.00 1.36 N ATOM 0 H LYS A 155 -7.519 12.147 11.040 1.00 0.30 H new ATOM 0 HA LYS A 155 -9.257 12.156 9.688 1.00 0.32 H new ATOM 0 HB2 LYS A 155 -9.943 14.604 11.287 1.00 0.38 H new ATOM 0 HB3 LYS A 155 -10.848 14.272 9.823 1.00 0.38 H new ATOM 0 HG2 LYS A 155 -10.579 12.447 12.235 1.00 0.40 H new ATOM 0 HG3 LYS A 155 -12.008 13.338 11.749 1.00 0.40 H new ATOM 0 HD2 LYS A 155 -11.805 12.057 9.491 1.00 0.45 H new ATOM 0 HD3 LYS A 155 -10.693 11.000 10.339 1.00 0.45 H new ATOM 0 HE2 LYS A 155 -13.008 10.120 10.381 1.00 0.61 H new ATOM 0 HE3 LYS A 155 -12.401 10.434 11.995 1.00 0.61 H new ATOM 0 HZ1 LYS A 155 -14.057 11.841 12.358 1.00 1.36 H new ATOM 0 HZ2 LYS A 155 -13.677 12.757 10.979 1.00 1.36 H new ATOM 0 HZ3 LYS A 155 -14.719 11.422 10.851 1.00 1.36 H new ATOM 2380 N GLU A 156 -7.427 13.637 8.229 1.00 0.30 N ATOM 2381 CA GLU A 156 -6.904 14.350 7.059 1.00 0.33 C ATOM 2382 C GLU A 156 -6.955 13.464 5.829 1.00 0.28 C ATOM 2383 O GLU A 156 -7.744 13.668 4.889 1.00 0.30 O ATOM 2384 CB GLU A 156 -5.448 14.767 7.282 1.00 0.40 C ATOM 2385 CG GLU A 156 -5.163 15.348 8.650 1.00 1.30 C ATOM 2386 CD GLU A 156 -3.700 15.692 8.829 1.00 1.70 C ATOM 2387 OE1 GLU A 156 -3.262 16.752 8.333 1.00 1.52 O ATOM 2388 OE2 GLU A 156 -2.980 14.909 9.477 1.00 2.48 O ATOM 0 H GLU A 156 -6.822 12.896 8.583 1.00 0.30 H new ATOM 0 HA GLU A 156 -7.525 15.234 6.912 1.00 0.33 H new ATOM 0 HB2 GLU A 156 -4.807 13.898 7.130 1.00 0.40 H new ATOM 0 HB3 GLU A 156 -5.174 15.502 6.525 1.00 0.40 H new ATOM 0 HG2 GLU A 156 -5.766 16.244 8.796 1.00 1.30 H new ATOM 0 HG3 GLU A 156 -5.463 14.634 9.417 1.00 1.30 H new ATOM 2395 N GLY A 157 -6.113 12.453 5.867 1.00 0.29 N ATOM 2396 CA GLY A 157 -5.928 11.587 4.739 1.00 0.28 C ATOM 2397 C GLY A 157 -7.154 10.765 4.403 1.00 0.27 C ATOM 2398 O GLY A 157 -7.192 10.124 3.362 1.00 0.29 O ATOM 0 H GLY A 157 -5.544 12.215 6.679 1.00 0.29 H new ATOM 0 HA2 GLY A 157 -5.653 12.187 3.871 1.00 0.28 H new ATOM 0 HA3 GLY A 157 -5.093 10.915 4.939 1.00 0.28 H new ATOM 2402 N LEU A 158 -8.149 10.768 5.282 1.00 0.26 N ATOM 2403 CA LEU A 158 -9.364 10.013 5.038 1.00 0.28 C ATOM 2404 C LEU A 158 -10.144 10.647 3.905 1.00 0.30 C ATOM 2405 O LEU A 158 -10.647 9.951 3.019 1.00 0.33 O ATOM 2406 CB LEU A 158 -10.225 9.933 6.298 1.00 0.31 C ATOM 2407 CG LEU A 158 -9.661 9.057 7.419 1.00 0.47 C ATOM 2408 CD1 LEU A 158 -10.665 8.941 8.552 1.00 0.73 C ATOM 2409 CD2 LEU A 158 -9.298 7.679 6.889 1.00 0.80 C ATOM 0 H LEU A 158 -8.136 11.282 6.163 1.00 0.26 H new ATOM 0 HA LEU A 158 -9.088 8.997 4.758 1.00 0.28 H new ATOM 0 HB2 LEU A 158 -10.369 10.942 6.685 1.00 0.31 H new ATOM 0 HB3 LEU A 158 -11.209 9.554 6.023 1.00 0.31 H new ATOM 0 HG LEU A 158 -8.755 9.527 7.802 1.00 0.47 H new ATOM 0 HD11 LEU A 158 -10.251 8.315 9.343 1.00 0.73 H new ATOM 0 HD12 LEU A 158 -10.881 9.933 8.950 1.00 0.73 H new ATOM 0 HD13 LEU A 158 -11.585 8.492 8.178 1.00 0.73 H new ATOM 0 HD21 LEU A 158 -8.899 7.071 7.701 1.00 0.80 H new ATOM 0 HD22 LEU A 158 -10.188 7.200 6.481 1.00 0.80 H new ATOM 0 HD23 LEU A 158 -8.547 7.777 6.105 1.00 0.80 H new ATOM 2421 N ASP A 159 -10.218 11.971 3.920 1.00 0.32 N ATOM 2422 CA ASP A 159 -10.854 12.697 2.837 1.00 0.38 C ATOM 2423 C ASP A 159 -10.055 12.507 1.559 1.00 0.32 C ATOM 2424 O ASP A 159 -10.612 12.254 0.491 1.00 0.33 O ATOM 2425 CB ASP A 159 -10.981 14.190 3.159 1.00 0.50 C ATOM 2426 CG ASP A 159 -12.046 14.476 4.200 1.00 1.25 C ATOM 2427 OD1 ASP A 159 -11.746 14.370 5.405 1.00 2.20 O ATOM 2428 OD2 ASP A 159 -13.186 14.825 3.818 1.00 1.42 O ATOM 0 H ASP A 159 -9.847 12.558 4.667 1.00 0.32 H new ATOM 0 HA ASP A 159 -11.860 12.299 2.705 1.00 0.38 H new ATOM 0 HB2 ASP A 159 -10.021 14.564 3.515 1.00 0.50 H new ATOM 0 HB3 ASP A 159 -11.216 14.736 2.245 1.00 0.50 H new ATOM 2433 N HIS A 160 -8.736 12.586 1.683 1.00 0.30 N ATOM 2434 CA HIS A 160 -7.850 12.411 0.537 1.00 0.30 C ATOM 2435 C HIS A 160 -7.888 10.969 0.020 1.00 0.28 C ATOM 2436 O HIS A 160 -7.577 10.710 -1.142 1.00 0.33 O ATOM 2437 CB HIS A 160 -6.420 12.815 0.923 1.00 0.34 C ATOM 2438 CG HIS A 160 -5.410 12.649 -0.176 1.00 0.41 C ATOM 2439 ND1 HIS A 160 -5.292 13.523 -1.231 1.00 0.52 N ATOM 2440 CD2 HIS A 160 -4.462 11.704 -0.370 1.00 0.46 C ATOM 2441 CE1 HIS A 160 -4.317 13.124 -2.026 1.00 0.58 C ATOM 2442 NE2 HIS A 160 -3.795 12.023 -1.524 1.00 0.54 N ATOM 0 H HIS A 160 -8.256 12.770 2.564 1.00 0.30 H new ATOM 0 HA HIS A 160 -8.196 13.056 -0.271 1.00 0.30 H new ATOM 0 HB2 HIS A 160 -6.424 13.857 1.242 1.00 0.34 H new ATOM 0 HB3 HIS A 160 -6.106 12.220 1.781 1.00 0.34 H new ATOM 0 HD2 HIS A 160 -4.267 10.854 0.267 1.00 0.46 H new ATOM 0 HE1 HIS A 160 -4.001 13.616 -2.934 1.00 0.58 H new ATOM 0 HE2 HIS A 160 -3.022 11.495 -1.928 1.00 0.54 H new ATOM 2451 N LEU A 161 -8.293 10.042 0.877 1.00 0.27 N ATOM 2452 CA LEU A 161 -8.297 8.628 0.535 1.00 0.28 C ATOM 2453 C LEU A 161 -9.408 8.341 -0.464 1.00 0.29 C ATOM 2454 O LEU A 161 -9.172 7.779 -1.536 1.00 0.31 O ATOM 2455 CB LEU A 161 -8.499 7.781 1.798 1.00 0.29 C ATOM 2456 CG LEU A 161 -7.751 6.444 1.842 1.00 0.57 C ATOM 2457 CD1 LEU A 161 -8.125 5.671 3.096 1.00 1.15 C ATOM 2458 CD2 LEU A 161 -8.042 5.608 0.609 1.00 1.16 C ATOM 0 H LEU A 161 -8.625 10.247 1.820 1.00 0.27 H new ATOM 0 HA LEU A 161 -7.338 8.370 0.086 1.00 0.28 H new ATOM 0 HB2 LEU A 161 -8.193 8.373 2.660 1.00 0.29 H new ATOM 0 HB3 LEU A 161 -9.565 7.581 1.910 1.00 0.29 H new ATOM 0 HG LEU A 161 -6.683 6.660 1.860 1.00 0.57 H new ATOM 0 HD11 LEU A 161 -7.586 4.724 3.114 1.00 1.15 H new ATOM 0 HD12 LEU A 161 -7.860 6.256 3.977 1.00 1.15 H new ATOM 0 HD13 LEU A 161 -9.198 5.478 3.098 1.00 1.15 H new ATOM 0 HD21 LEU A 161 -7.497 4.666 0.671 1.00 1.16 H new ATOM 0 HD22 LEU A 161 -9.111 5.405 0.551 1.00 1.16 H new ATOM 0 HD23 LEU A 161 -7.727 6.152 -0.282 1.00 1.16 H new ATOM 2470 N LEU A 162 -10.616 8.762 -0.118 1.00 0.31 N ATOM 2471 CA LEU A 162 -11.783 8.503 -0.940 1.00 0.37 C ATOM 2472 C LEU A 162 -11.692 9.248 -2.270 1.00 0.38 C ATOM 2473 O LEU A 162 -12.291 8.834 -3.260 1.00 0.45 O ATOM 2474 CB LEU A 162 -13.056 8.871 -0.162 1.00 0.47 C ATOM 2475 CG LEU A 162 -13.163 10.323 0.320 1.00 0.85 C ATOM 2476 CD1 LEU A 162 -13.766 11.222 -0.751 1.00 1.49 C ATOM 2477 CD2 LEU A 162 -13.982 10.393 1.600 1.00 1.51 C ATOM 0 H LEU A 162 -10.811 9.288 0.734 1.00 0.31 H new ATOM 0 HA LEU A 162 -11.825 7.440 -1.177 1.00 0.37 H new ATOM 0 HB2 LEU A 162 -13.917 8.656 -0.795 1.00 0.47 H new ATOM 0 HB3 LEU A 162 -13.127 8.216 0.707 1.00 0.47 H new ATOM 0 HG LEU A 162 -12.155 10.685 0.525 1.00 0.85 H new ATOM 0 HD11 LEU A 162 -13.827 12.244 -0.376 1.00 1.49 H new ATOM 0 HD12 LEU A 162 -13.138 11.199 -1.641 1.00 1.49 H new ATOM 0 HD13 LEU A 162 -14.765 10.867 -1.003 1.00 1.49 H new ATOM 0 HD21 LEU A 162 -14.051 11.429 1.932 1.00 1.51 H new ATOM 0 HD22 LEU A 162 -14.983 10.005 1.413 1.00 1.51 H new ATOM 0 HD23 LEU A 162 -13.500 9.795 2.374 1.00 1.51 H new ATOM 2489 N GLU A 163 -10.929 10.339 -2.294 1.00 0.37 N ATOM 2490 CA GLU A 163 -10.688 11.063 -3.532 1.00 0.44 C ATOM 2491 C GLU A 163 -9.754 10.271 -4.439 1.00 0.41 C ATOM 2492 O GLU A 163 -9.957 10.204 -5.651 1.00 0.50 O ATOM 2493 CB GLU A 163 -10.105 12.439 -3.232 1.00 0.56 C ATOM 2494 CG GLU A 163 -11.047 13.324 -2.437 1.00 1.03 C ATOM 2495 CD GLU A 163 -12.251 13.788 -3.238 1.00 1.78 C ATOM 2496 OE1 GLU A 163 -12.619 13.118 -4.225 1.00 2.57 O ATOM 2497 OE2 GLU A 163 -12.831 14.833 -2.881 1.00 2.14 O ATOM 0 H GLU A 163 -10.471 10.736 -1.474 1.00 0.37 H new ATOM 0 HA GLU A 163 -11.638 11.194 -4.050 1.00 0.44 H new ATOM 0 HB2 GLU A 163 -9.174 12.320 -2.678 1.00 0.56 H new ATOM 0 HB3 GLU A 163 -9.856 12.934 -4.171 1.00 0.56 H new ATOM 0 HG2 GLU A 163 -11.392 12.779 -1.558 1.00 1.03 H new ATOM 0 HG3 GLU A 163 -10.500 14.196 -2.078 1.00 1.03 H new ATOM 2504 N MET A 164 -8.742 9.653 -3.840 1.00 0.37 N ATOM 2505 CA MET A 164 -7.824 8.802 -4.588 1.00 0.39 C ATOM 2506 C MET A 164 -8.556 7.568 -5.103 1.00 0.37 C ATOM 2507 O MET A 164 -8.356 7.142 -6.239 1.00 0.43 O ATOM 2508 CB MET A 164 -6.641 8.374 -3.716 1.00 0.43 C ATOM 2509 CG MET A 164 -5.704 9.505 -3.313 1.00 0.64 C ATOM 2510 SD MET A 164 -4.796 10.228 -4.699 1.00 0.58 S ATOM 2511 CE MET A 164 -6.011 11.351 -5.386 1.00 0.53 C ATOM 0 H MET A 164 -8.537 9.725 -2.843 1.00 0.37 H new ATOM 0 HA MET A 164 -7.442 9.375 -5.433 1.00 0.39 H new ATOM 0 HB2 MET A 164 -7.026 7.900 -2.813 1.00 0.43 H new ATOM 0 HB3 MET A 164 -6.067 7.619 -4.252 1.00 0.43 H new ATOM 0 HG2 MET A 164 -6.283 10.287 -2.823 1.00 0.64 H new ATOM 0 HG3 MET A 164 -4.991 9.129 -2.579 1.00 0.64 H new ATOM 0 HE1 MET A 164 -6.364 10.965 -6.342 1.00 0.53 H new ATOM 0 HE2 MET A 164 -6.852 11.442 -4.699 1.00 0.53 H new ATOM 0 HE3 MET A 164 -5.557 12.331 -5.535 1.00 0.53 H new ATOM 2521 N ILE A 165 -9.409 7.005 -4.256 1.00 0.34 N ATOM 2522 CA ILE A 165 -10.251 5.884 -4.647 1.00 0.38 C ATOM 2523 C ILE A 165 -11.179 6.288 -5.788 1.00 0.44 C ATOM 2524 O ILE A 165 -11.334 5.557 -6.766 1.00 0.52 O ATOM 2525 CB ILE A 165 -11.099 5.379 -3.464 1.00 0.40 C ATOM 2526 CG1 ILE A 165 -10.203 4.747 -2.395 1.00 0.42 C ATOM 2527 CG2 ILE A 165 -12.145 4.387 -3.946 1.00 0.50 C ATOM 2528 CD1 ILE A 165 -10.966 4.223 -1.196 1.00 0.50 C ATOM 0 H ILE A 165 -9.535 7.309 -3.290 1.00 0.34 H new ATOM 0 HA ILE A 165 -9.592 5.080 -4.975 1.00 0.38 H new ATOM 0 HB ILE A 165 -11.615 6.229 -3.018 1.00 0.40 H new ATOM 0 HG12 ILE A 165 -9.640 3.928 -2.843 1.00 0.42 H new ATOM 0 HG13 ILE A 165 -9.477 5.487 -2.058 1.00 0.42 H new ATOM 0 HG21 ILE A 165 -12.735 4.040 -3.098 1.00 0.50 H new ATOM 0 HG22 ILE A 165 -12.800 4.872 -4.670 1.00 0.50 H new ATOM 0 HG23 ILE A 165 -11.651 3.537 -4.416 1.00 0.50 H new ATOM 0 HD11 ILE A 165 -10.267 3.790 -0.481 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -11.508 5.042 -0.723 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -11.673 3.460 -1.520 1.00 0.50 H new ATOM 2540 N LEU A 166 -11.791 7.455 -5.655 1.00 0.46 N ATOM 2541 CA LEU A 166 -12.677 7.968 -6.685 1.00 0.57 C ATOM 2542 C LEU A 166 -11.936 8.164 -7.994 1.00 0.61 C ATOM 2543 O LEU A 166 -12.467 7.869 -9.052 1.00 0.70 O ATOM 2544 CB LEU A 166 -13.301 9.289 -6.256 1.00 0.66 C ATOM 2545 CG LEU A 166 -13.911 10.085 -7.403 1.00 1.07 C ATOM 2546 CD1 LEU A 166 -15.426 10.077 -7.332 1.00 1.73 C ATOM 2547 CD2 LEU A 166 -13.362 11.496 -7.398 1.00 1.38 C ATOM 0 H LEU A 166 -11.689 8.064 -4.843 1.00 0.46 H new ATOM 0 HA LEU A 166 -13.466 7.231 -6.832 1.00 0.57 H new ATOM 0 HB2 LEU A 166 -14.074 9.090 -5.513 1.00 0.66 H new ATOM 0 HB3 LEU A 166 -12.540 9.898 -5.769 1.00 0.66 H new ATOM 0 HG LEU A 166 -13.634 9.611 -8.345 1.00 1.07 H new ATOM 0 HD11 LEU A 166 -15.832 10.653 -8.163 1.00 1.73 H new ATOM 0 HD12 LEU A 166 -15.788 9.050 -7.391 1.00 1.73 H new ATOM 0 HD13 LEU A 166 -15.748 10.522 -6.391 1.00 1.73 H new ATOM 0 HD21 LEU A 166 -13.802 12.060 -8.220 1.00 1.38 H new ATOM 0 HD22 LEU A 166 -13.609 11.979 -6.453 1.00 1.38 H new ATOM 0 HD23 LEU A 166 -12.279 11.465 -7.517 1.00 1.38 H new ATOM 2559 N LEU A 167 -10.716 8.674 -7.912 1.00 0.56 N ATOM 2560 CA LEU A 167 -9.863 8.831 -9.086 1.00 0.64 C ATOM 2561 C LEU A 167 -9.801 7.509 -9.842 1.00 0.66 C ATOM 2562 O LEU A 167 -9.830 7.467 -11.069 1.00 0.75 O ATOM 2563 CB LEU A 167 -8.458 9.264 -8.651 1.00 0.64 C ATOM 2564 CG LEU A 167 -7.598 9.963 -9.717 1.00 0.81 C ATOM 2565 CD1 LEU A 167 -7.092 8.978 -10.762 1.00 1.47 C ATOM 2566 CD2 LEU A 167 -8.383 11.083 -10.385 1.00 1.51 C ATOM 0 H LEU A 167 -10.290 8.989 -7.040 1.00 0.56 H new ATOM 0 HA LEU A 167 -10.276 9.598 -9.742 1.00 0.64 H new ATOM 0 HB2 LEU A 167 -8.556 9.935 -7.797 1.00 0.64 H new ATOM 0 HB3 LEU A 167 -7.921 8.382 -8.303 1.00 0.64 H new ATOM 0 HG LEU A 167 -6.731 10.390 -9.213 1.00 0.81 H new ATOM 0 HD11 LEU A 167 -6.488 9.508 -11.499 1.00 1.47 H new ATOM 0 HD12 LEU A 167 -6.485 8.213 -10.277 1.00 1.47 H new ATOM 0 HD13 LEU A 167 -7.940 8.507 -11.259 1.00 1.47 H new ATOM 0 HD21 LEU A 167 -7.759 11.567 -11.136 1.00 1.51 H new ATOM 0 HD22 LEU A 167 -9.272 10.670 -10.862 1.00 1.51 H new ATOM 0 HD23 LEU A 167 -8.681 11.816 -9.635 1.00 1.51 H new ATOM 2578 N VAL A 168 -9.748 6.431 -9.082 1.00 0.61 N ATOM 2579 CA VAL A 168 -9.733 5.096 -9.639 1.00 0.69 C ATOM 2580 C VAL A 168 -11.123 4.705 -10.153 1.00 0.77 C ATOM 2581 O VAL A 168 -11.247 4.073 -11.200 1.00 0.89 O ATOM 2582 CB VAL A 168 -9.250 4.066 -8.601 1.00 0.68 C ATOM 2583 CG1 VAL A 168 -9.168 2.692 -9.223 1.00 0.84 C ATOM 2584 CG2 VAL A 168 -7.903 4.474 -8.023 1.00 0.66 C ATOM 0 H VAL A 168 -9.714 6.459 -8.063 1.00 0.61 H new ATOM 0 HA VAL A 168 -9.035 5.097 -10.476 1.00 0.69 H new ATOM 0 HB VAL A 168 -9.973 4.034 -7.786 1.00 0.68 H new ATOM 0 HG11 VAL A 168 -8.825 1.975 -8.477 1.00 0.84 H new ATOM 0 HG12 VAL A 168 -10.153 2.397 -9.584 1.00 0.84 H new ATOM 0 HG13 VAL A 168 -8.466 2.711 -10.057 1.00 0.84 H new ATOM 0 HG21 VAL A 168 -7.581 3.732 -7.292 1.00 0.66 H new ATOM 0 HG22 VAL A 168 -7.167 4.537 -8.825 1.00 0.66 H new ATOM 0 HG23 VAL A 168 -7.995 5.446 -7.538 1.00 0.66 H new ATOM 2594 N SER A 169 -12.166 5.085 -9.415 1.00 0.74 N ATOM 2595 CA SER A 169 -13.540 4.851 -9.858 1.00 0.87 C ATOM 2596 C SER A 169 -13.831 5.609 -11.163 1.00 0.96 C ATOM 2597 O SER A 169 -14.576 5.137 -12.017 1.00 1.12 O ATOM 2598 CB SER A 169 -14.527 5.267 -8.759 1.00 0.88 C ATOM 2599 OG SER A 169 -15.863 4.935 -9.105 1.00 1.35 O ATOM 0 H SER A 169 -12.087 5.554 -8.513 1.00 0.74 H new ATOM 0 HA SER A 169 -13.663 3.786 -10.054 1.00 0.87 H new ATOM 0 HB2 SER A 169 -14.260 4.775 -7.824 1.00 0.88 H new ATOM 0 HB3 SER A 169 -14.451 6.341 -8.588 1.00 0.88 H new ATOM 0 HG SER A 169 -15.861 4.183 -9.733 1.00 1.35 H new ATOM 2605 N GLU A 170 -13.225 6.782 -11.324 1.00 0.96 N ATOM 2606 CA GLU A 170 -13.358 7.542 -12.564 1.00 1.11 C ATOM 2607 C GLU A 170 -12.487 6.899 -13.641 1.00 1.17 C ATOM 2608 O GLU A 170 -12.760 7.003 -14.837 1.00 1.37 O ATOM 2609 CB GLU A 170 -12.944 9.004 -12.359 1.00 1.26 C ATOM 2610 CG GLU A 170 -13.612 9.683 -11.167 1.00 1.84 C ATOM 2611 CD GLU A 170 -15.122 9.755 -11.277 1.00 2.19 C ATOM 2612 OE1 GLU A 170 -15.792 8.714 -11.093 1.00 2.73 O ATOM 2613 OE2 GLU A 170 -15.653 10.848 -11.561 1.00 2.56 O ATOM 0 H GLU A 170 -12.640 7.225 -10.616 1.00 0.96 H new ATOM 0 HA GLU A 170 -14.403 7.528 -12.875 1.00 1.11 H new ATOM 0 HB2 GLU A 170 -11.863 9.049 -12.229 1.00 1.26 H new ATOM 0 HB3 GLU A 170 -13.180 9.567 -13.262 1.00 1.26 H new ATOM 0 HG2 GLU A 170 -13.348 9.144 -10.257 1.00 1.84 H new ATOM 0 HG3 GLU A 170 -13.215 10.693 -11.065 1.00 1.84 H new ATOM 2620 N MET A 171 -11.446 6.208 -13.190 1.00 1.11 N ATOM 2621 CA MET A 171 -10.518 5.520 -14.079 1.00 1.28 C ATOM 2622 C MET A 171 -11.155 4.254 -14.655 1.00 1.54 C ATOM 2623 O MET A 171 -10.591 3.622 -15.541 1.00 1.88 O ATOM 2624 CB MET A 171 -9.223 5.169 -13.338 1.00 1.31 C ATOM 2625 CG MET A 171 -8.083 4.744 -14.253 1.00 1.43 C ATOM 2626 SD MET A 171 -6.653 4.126 -13.345 1.00 1.66 S ATOM 2627 CE MET A 171 -7.308 2.587 -12.706 1.00 1.68 C ATOM 0 H MET A 171 -11.222 6.109 -12.200 1.00 1.11 H new ATOM 0 HA MET A 171 -10.279 6.192 -14.903 1.00 1.28 H new ATOM 0 HB2 MET A 171 -8.904 6.033 -12.755 1.00 1.31 H new ATOM 0 HB3 MET A 171 -9.427 4.365 -12.631 1.00 1.31 H new ATOM 0 HG2 MET A 171 -8.438 3.970 -14.933 1.00 1.43 H new ATOM 0 HG3 MET A 171 -7.780 5.592 -14.866 1.00 1.43 H new ATOM 0 HE1 MET A 171 -6.990 2.458 -11.671 1.00 1.68 H new ATOM 0 HE2 MET A 171 -8.397 2.608 -12.751 1.00 1.68 H new ATOM 0 HE3 MET A 171 -6.936 1.756 -13.306 1.00 1.68 H new ATOM 2637 N GLU A 172 -12.322 3.875 -14.134 1.00 1.62 N ATOM 2638 CA GLU A 172 -13.050 2.707 -14.640 1.00 2.07 C ATOM 2639 C GLU A 172 -13.339 2.832 -16.139 1.00 2.05 C ATOM 2640 O GLU A 172 -13.525 1.830 -16.831 1.00 2.58 O ATOM 2641 CB GLU A 172 -14.366 2.516 -13.884 1.00 2.47 C ATOM 2642 CG GLU A 172 -14.200 2.071 -12.438 1.00 3.01 C ATOM 2643 CD GLU A 172 -15.535 1.875 -11.743 1.00 3.71 C ATOM 2644 OE1 GLU A 172 -16.211 0.861 -12.028 1.00 4.04 O ATOM 2645 OE2 GLU A 172 -15.926 2.745 -10.933 1.00 4.27 O ATOM 0 H GLU A 172 -12.784 4.357 -13.363 1.00 1.62 H new ATOM 0 HA GLU A 172 -12.412 1.838 -14.479 1.00 2.07 H new ATOM 0 HB2 GLU A 172 -14.921 3.454 -13.902 1.00 2.47 H new ATOM 0 HB3 GLU A 172 -14.971 1.778 -14.412 1.00 2.47 H new ATOM 0 HG2 GLU A 172 -13.636 1.138 -12.409 1.00 3.01 H new ATOM 0 HG3 GLU A 172 -13.615 2.814 -11.896 1.00 3.01 H new ATOM 2652 N GLU A 173 -13.372 4.061 -16.635 1.00 1.85 N ATOM 2653 CA GLU A 173 -13.591 4.309 -18.056 1.00 2.28 C ATOM 2654 C GLU A 173 -12.262 4.634 -18.747 1.00 2.77 C ATOM 2655 O GLU A 173 -12.191 4.768 -19.968 1.00 3.47 O ATOM 2656 CB GLU A 173 -14.583 5.464 -18.225 1.00 2.50 C ATOM 2657 CG GLU A 173 -14.980 5.742 -19.666 1.00 2.86 C ATOM 2658 CD GLU A 173 -15.914 6.927 -19.791 1.00 3.41 C ATOM 2659 OE1 GLU A 173 -15.464 8.067 -19.554 1.00 3.91 O ATOM 2660 OE2 GLU A 173 -17.096 6.727 -20.138 1.00 3.82 O ATOM 0 H GLU A 173 -13.250 4.904 -16.074 1.00 1.85 H new ATOM 0 HA GLU A 173 -14.006 3.414 -18.520 1.00 2.28 H new ATOM 0 HB2 GLU A 173 -15.482 5.243 -17.649 1.00 2.50 H new ATOM 0 HB3 GLU A 173 -14.146 6.368 -17.800 1.00 2.50 H new ATOM 0 HG2 GLU A 173 -14.083 5.926 -20.258 1.00 2.86 H new ATOM 0 HG3 GLU A 173 -15.462 4.858 -20.084 1.00 2.86 H new ATOM 2667 N LEU A 174 -11.201 4.713 -17.959 1.00 2.83 N ATOM 2668 CA LEU A 174 -9.900 5.148 -18.458 1.00 3.69 C ATOM 2669 C LEU A 174 -8.878 4.022 -18.376 1.00 3.89 C ATOM 2670 O LEU A 174 -7.707 4.209 -18.716 1.00 4.73 O ATOM 2671 CB LEU A 174 -9.401 6.352 -17.654 1.00 4.31 C ATOM 2672 CG LEU A 174 -10.276 7.603 -17.736 1.00 4.98 C ATOM 2673 CD1 LEU A 174 -9.749 8.683 -16.805 1.00 5.48 C ATOM 2674 CD2 LEU A 174 -10.333 8.121 -19.161 1.00 5.72 C ATOM 0 H LEU A 174 -11.213 4.481 -16.966 1.00 2.83 H new ATOM 0 HA LEU A 174 -10.020 5.433 -19.503 1.00 3.69 H new ATOM 0 HB2 LEU A 174 -9.314 6.058 -16.608 1.00 4.31 H new ATOM 0 HB3 LEU A 174 -8.399 6.607 -17.998 1.00 4.31 H new ATOM 0 HG LEU A 174 -11.285 7.336 -17.423 1.00 4.98 H new ATOM 0 HD11 LEU A 174 -10.384 9.566 -16.876 1.00 5.48 H new ATOM 0 HD12 LEU A 174 -9.755 8.314 -15.779 1.00 5.48 H new ATOM 0 HD13 LEU A 174 -8.730 8.944 -17.091 1.00 5.48 H new ATOM 0 HD21 LEU A 174 -10.960 9.012 -19.200 1.00 5.72 H new ATOM 0 HD22 LEU A 174 -9.327 8.371 -19.498 1.00 5.72 H new ATOM 0 HD23 LEU A 174 -10.753 7.353 -19.811 1.00 5.72 H new ATOM 2686 N LYS A 175 -9.317 2.858 -17.918 1.00 3.42 N ATOM 2687 CA LYS A 175 -8.438 1.702 -17.793 1.00 3.88 C ATOM 2688 C LYS A 175 -7.941 1.239 -19.159 1.00 4.00 C ATOM 2689 O LYS A 175 -8.723 1.067 -20.093 1.00 4.36 O ATOM 2690 CB LYS A 175 -9.123 0.542 -17.045 1.00 4.27 C ATOM 2691 CG LYS A 175 -10.653 0.549 -17.072 1.00 4.29 C ATOM 2692 CD LYS A 175 -11.233 0.438 -18.477 1.00 4.24 C ATOM 2693 CE LYS A 175 -10.880 -0.883 -19.153 1.00 4.99 C ATOM 2694 NZ LYS A 175 -11.453 -2.062 -18.445 1.00 5.49 N ATOM 0 H LYS A 175 -10.279 2.688 -17.626 1.00 3.42 H new ATOM 0 HA LYS A 175 -7.578 2.016 -17.202 1.00 3.88 H new ATOM 0 HB2 LYS A 175 -8.774 -0.398 -17.472 1.00 4.27 H new ATOM 0 HB3 LYS A 175 -8.796 0.560 -16.005 1.00 4.27 H new ATOM 0 HG2 LYS A 175 -11.024 -0.279 -16.467 1.00 4.29 H new ATOM 0 HG3 LYS A 175 -11.013 1.468 -16.610 1.00 4.29 H new ATOM 0 HD2 LYS A 175 -12.317 0.539 -18.428 1.00 4.24 H new ATOM 0 HD3 LYS A 175 -10.863 1.264 -19.085 1.00 4.24 H new ATOM 0 HE2 LYS A 175 -11.244 -0.869 -20.180 1.00 4.99 H new ATOM 0 HE3 LYS A 175 -9.796 -0.984 -19.200 1.00 4.99 H new ATOM 0 HZ1 LYS A 175 -10.689 -2.591 -17.978 1.00 5.49 H new ATOM 0 HZ2 LYS A 175 -12.137 -1.740 -17.731 1.00 5.49 H new ATOM 0 HZ3 LYS A 175 -11.933 -2.679 -19.131 1.00 5.49 H new ATOM 2708 N ALA A 176 -6.637 1.055 -19.274 1.00 4.26 N ATOM 2709 CA ALA A 176 -6.044 0.611 -20.527 1.00 4.89 C ATOM 2710 C ALA A 176 -5.705 -0.874 -20.479 1.00 5.36 C ATOM 2711 O ALA A 176 -4.931 -1.373 -21.294 1.00 5.78 O ATOM 2712 CB ALA A 176 -4.804 1.429 -20.845 1.00 5.48 C ATOM 0 H ALA A 176 -5.969 1.205 -18.518 1.00 4.26 H new ATOM 0 HA ALA A 176 -6.777 0.763 -21.320 1.00 4.89 H new ATOM 0 HB1 ALA A 176 -4.372 1.085 -21.785 1.00 5.48 H new ATOM 0 HB2 ALA A 176 -5.075 2.481 -20.934 1.00 5.48 H new ATOM 0 HB3 ALA A 176 -4.074 1.309 -20.045 1.00 5.48 H new ATOM 2718 N ASN A 177 -6.299 -1.580 -19.529 1.00 5.66 N ATOM 2719 CA ASN A 177 -6.055 -3.009 -19.376 1.00 6.40 C ATOM 2720 C ASN A 177 -6.930 -3.812 -20.340 1.00 6.79 C ATOM 2721 O ASN A 177 -8.114 -3.515 -20.515 1.00 6.94 O ATOM 2722 CB ASN A 177 -6.293 -3.466 -17.927 1.00 6.79 C ATOM 2723 CG ASN A 177 -7.729 -3.280 -17.456 1.00 7.41 C ATOM 2724 OD1 ASN A 177 -8.422 -2.352 -17.866 1.00 7.72 O ATOM 2725 ND2 ASN A 177 -8.184 -4.166 -16.584 1.00 7.88 N ATOM 0 H ASN A 177 -6.954 -1.188 -18.852 1.00 5.66 H new ATOM 0 HA ASN A 177 -5.009 -3.194 -19.618 1.00 6.40 H new ATOM 0 HB2 ASN A 177 -6.024 -4.519 -17.838 1.00 6.79 H new ATOM 0 HB3 ASN A 177 -5.628 -2.910 -17.266 1.00 6.79 H new ATOM 0 HD21 ASN A 177 -9.138 -4.091 -16.231 1.00 7.88 H new ATOM 0 HD22 ASN A 177 -7.581 -4.924 -16.265 1.00 7.88 H new ATOM 2732 N PRO A 178 -6.344 -4.817 -21.007 1.00 7.29 N ATOM 2733 CA PRO A 178 -7.068 -5.692 -21.933 1.00 8.00 C ATOM 2734 C PRO A 178 -8.015 -6.633 -21.197 1.00 8.71 C ATOM 2735 O PRO A 178 -7.550 -7.680 -20.694 1.00 9.19 O ATOM 2736 CB PRO A 178 -5.959 -6.491 -22.638 1.00 8.54 C ATOM 2737 CG PRO A 178 -4.675 -5.832 -22.252 1.00 8.16 C ATOM 2738 CD PRO A 178 -4.925 -5.182 -20.925 1.00 7.54 C ATOM 2739 OXT PRO A 178 -9.219 -6.326 -21.112 1.00 9.00 O ATOM 0 HA PRO A 178 -7.692 -5.125 -22.623 1.00 8.00 H new ATOM 0 HB2 PRO A 178 -5.971 -7.536 -22.327 1.00 8.54 H new ATOM 0 HB3 PRO A 178 -6.095 -6.479 -23.719 1.00 8.54 H new ATOM 0 HG2 PRO A 178 -3.868 -6.561 -22.183 1.00 8.16 H new ATOM 0 HG3 PRO A 178 -4.376 -5.095 -22.997 1.00 8.16 H new ATOM 0 HD2 PRO A 178 -4.729 -5.863 -20.097 1.00 7.54 H new ATOM 0 HD3 PRO A 178 -4.290 -4.309 -20.776 1.00 7.54 H new TER 2747 PRO A 178 HETATM 2748 PB GDP A 179 -8.328 -3.337 14.846 1.00 0.68 P HETATM 2749 O1B GDP A 179 -8.260 -4.719 15.407 1.00 1.61 O HETATM 2750 O2B GDP A 179 -9.552 -3.085 13.974 1.00 1.63 O HETATM 2751 O3B GDP A 179 -7.015 -2.817 14.230 1.00 1.65 O HETATM 2752 O3A GDP A 179 -8.566 -2.360 16.176 1.00 0.68 O HETATM 2753 PA GDP A 179 -9.333 -0.999 16.300 1.00 0.75 P HETATM 2754 O1A GDP A 179 -10.266 -0.997 17.453 1.00 0.87 O HETATM 2755 O2A GDP A 179 -9.868 -0.512 14.971 1.00 0.88 O HETATM 2756 O5' GDP A 179 -8.119 -0.002 16.647 1.00 0.69 O HETATM 2757 C5' GDP A 179 -7.256 -0.276 17.749 1.00 0.65 C HETATM 2758 C4' GDP A 179 -6.353 0.905 18.037 1.00 0.66 C HETATM 2759 O4' GDP A 179 -6.156 1.664 16.819 1.00 0.63 O HETATM 2760 C3' GDP A 179 -6.881 1.906 19.062 1.00 0.75 C HETATM 2761 O3' GDP A 179 -6.106 1.864 20.256 1.00 0.96 O HETATM 2762 C2' GDP A 179 -6.785 3.281 18.390 1.00 0.75 C HETATM 2763 O2' GDP A 179 -6.152 4.231 19.221 1.00 0.95 O HETATM 2764 C1' GDP A 179 -5.891 2.996 17.183 1.00 0.62 C HETATM 2765 N9 GDP A 179 -6.164 3.852 16.033 1.00 0.55 N HETATM 2766 C8 GDP A 179 -7.190 3.714 15.140 1.00 0.62 C HETATM 2767 N7 GDP A 179 -7.174 4.607 14.185 1.00 0.61 N HETATM 2768 C5 GDP A 179 -6.065 5.385 14.474 1.00 0.49 C HETATM 2769 C6 GDP A 179 -5.534 6.508 13.790 1.00 0.45 C HETATM 2770 O6 GDP A 179 -5.969 7.064 12.778 1.00 0.55 O HETATM 2771 N1 GDP A 179 -4.391 7.001 14.408 1.00 0.37 N HETATM 2772 C2 GDP A 179 -3.841 6.478 15.554 1.00 0.40 C HETATM 2773 N2 GDP A 179 -2.773 7.118 16.048 1.00 0.46 N HETATM 2774 N3 GDP A 179 -4.325 5.428 16.202 1.00 0.45 N HETATM 2775 C4 GDP A 179 -5.427 4.935 15.611 1.00 0.46 C HETATM 0 HO3' GDP A 179 -6.479 2.491 20.910 1.00 0.96 H new HETATM 0 HO2' GDP A 179 -5.499 3.779 19.796 1.00 0.95 H new HETATM 0 HN22 GDP A 179 -2.321 6.777 16.897 1.00 0.46 H new HETATM 0 HN21 GDP A 179 -2.411 7.946 15.576 1.00 0.46 H new HETATM 0 H5'' GDP A 179 -7.851 -0.508 18.633 1.00 0.65 H new HETATM 0 HN1 GDP A 179 -3.929 7.805 13.983 1.00 0.37 H new HETATM 0 H8 GDP A 179 -7.948 2.935 15.217 1.00 0.62 H new HETATM 0 H5' GDP A 179 -6.651 -1.156 17.532 1.00 0.65 H new HETATM 0 H4' GDP A 179 -5.446 0.455 18.442 1.00 0.66 H new HETATM 0 H3' GDP A 179 -7.906 1.678 19.354 1.00 0.75 H new HETATM 0 H2' GDP A 179 -7.764 3.695 18.151 1.00 0.75 H new HETATM 0 H1' GDP A 179 -4.854 3.184 17.461 1.00 0.62 H new