USER MOD reduce.3.24.130724 H: found=0, std=0, add=1384, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1382 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 151 SER OG : rot -155:sc= -2.91! USER MOD Set 1.2: A 154 THR OG1 : rot -170:sc= -1.89! USER MOD Set 2.1: A 19 HIS : no HD1:sc= 0.0953 K(o=-1.3,f=-7.2!) USER MOD Set 2.2: A 96 THR OG1 : rot -110:sc= -1.36! USER MOD Set 3.1: A 71 MET CE :methyl 148:sc= -0.2 (180deg=-1.09) USER MOD Set 3.2: A 102 HIS : no HD1:sc= -0.735 X(o=-0.94,f=-0.6) USER MOD Set 4.1: A 31 SER OG : rot 180:sc= -0.636 USER MOD Set 4.2: A 155 LYS NZ :NH3+ -144:sc= 0.75 (180deg=-0.327) USER MOD Set 5.1: A 23 THR OG1 : rot 52:sc= 0.674 USER MOD Set 5.2: A 115 ASN : amide:sc= 1.06 K(o=1.7,f=-2.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -54:sc= 0.213 USER MOD Single : A 3 HIS : no HD1:sc= -0.358 X(o=-0.36,f=-0.18) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -129:sc= -0.0595 USER MOD Single : A 14 MET CE :methyl 164:sc= -0.113 (180deg=-0.243) USER MOD Single : A 16 HIS :FLIP no HD1:sc= 0.0259 F(o=-1.5,f=0.026) USER MOD Single : A 21 LYS NZ :NH3+ -159:sc= -0.162 (180deg=-0.654) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 138:sc= -0.919 (180deg=-3.17!) USER MOD Single : A 34 THR OG1 : rot 106:sc= 0.523! USER MOD Single : A 36 GLN :FLIP amide:sc= -0.107 F(o=-3!,f=-0.11) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.505 K(o=-0.51,f=-2.3!) USER MOD Single : A 44 HIS :FLIP no HE2:sc= -0.047 F(o=-1.1,f=-0.047) USER MOD Single : A 48 TYR OH : rot 120:sc= -1.08 USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -166:sc= 1.26 (180deg=1.17) USER MOD Single : A 56 LYS NZ :NH3+ 165:sc= 1.17 (180deg=0.53) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot -162:sc= 0.761 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.285 X(o=-0.28,f=-0.29) USER MOD Single : A 79 THR OG1 : rot -57:sc= 0.443 USER MOD Single : A 93 MET CE :methyl -105:sc= -3.14! (180deg=-5.04!) USER MOD Single : A 95 GLN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 101 ASN : amide:sc=-0.00664 X(o=-0.0066,f=-0.19) USER MOD Single : A 104 LYS NZ :NH3+ -156:sc= 0.329 (180deg=-0.0454) USER MOD Single : A 107 ASN : amide:sc= 0.0196 X(o=0.02,f=0) USER MOD Single : A 116 LYS NZ :NH3+ -136:sc= 0.536 (180deg=0.0133) USER MOD Single : A 117 MET CE :methyl 142:sc= -0.803 (180deg=-3.67!) USER MOD Single : A 119 LYS NZ :NH3+ -170:sc= 1.42 (180deg=1.24) USER MOD Single : A 123 ASN : amide:sc= 0.968 K(o=0.97,f=-5.2!) USER MOD Single : A 128 MET CE :methyl -134:sc= -2.74 (180deg=-4.13!) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 132 MET CE :methyl 158:sc= -3.53! (180deg=-6.28!) USER MOD Single : A 134 TYR OH : rot 156:sc= 0.158 USER MOD Single : A 135 ASN :FLIP amide:sc=-0.00312 F(o=-1.2,f=-0.0031) USER MOD Single : A 145 THR OG1 : rot -62:sc= -2.52! USER MOD Single : A 148 CYS SG : rot 120:sc= -0.0264 USER MOD Single : A 149 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.2) USER MOD Single : A 153 LYS NZ :NH3+ -170:sc= 1.28 (180deg=1.2) USER MOD Single : A 160 HIS : no HE2:sc= 1.15 K(o=1.2,f=-4.6!) USER MOD Single : A 164 MET CE :methyl -111:sc= -3.48! (180deg=-5.33!) USER MOD Single : A 169 SER OG : rot 80:sc= 1.24 USER MOD Single : A 171 MET CE :methyl -149:sc= -1.99 (180deg=-2.77!) USER MOD Single : A 175 LYS NZ :NH3+ -161:sc= 0.0657 (180deg=-0.794!) USER MOD Single : A 177 ASN : amide:sc= -0.455 K(o=-0.45,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.766 18.266 -13.863 1.00 16.35 N ATOM 2 CA GLY A 1 -17.546 17.008 -13.961 1.00 15.80 C ATOM 3 C GLY A 1 -18.820 17.193 -14.762 1.00 15.04 C ATOM 4 O GLY A 1 -19.919 16.918 -14.275 1.00 14.90 O ATOM 0 H1 GLY A 1 -15.903 18.097 -13.308 1.00 16.35 H new ATOM 0 H2 GLY A 1 -16.506 18.589 -14.817 1.00 16.35 H new ATOM 0 H3 GLY A 1 -17.341 18.995 -13.395 1.00 16.35 H new ATOM 0 HA2 GLY A 1 -16.933 16.236 -14.427 1.00 15.80 H new ATOM 0 HA3 GLY A 1 -17.795 16.656 -12.960 1.00 15.80 H new ATOM 10 N SER A 2 -18.677 17.651 -16.001 1.00 14.69 N ATOM 11 CA SER A 2 -19.822 17.929 -16.860 1.00 14.11 C ATOM 12 C SER A 2 -20.207 16.684 -17.661 1.00 13.37 C ATOM 13 O SER A 2 -20.450 16.747 -18.868 1.00 13.12 O ATOM 14 CB SER A 2 -19.494 19.100 -17.797 1.00 14.38 C ATOM 15 OG SER A 2 -20.643 19.556 -18.490 1.00 14.60 O ATOM 0 H SER A 2 -17.773 17.839 -16.435 1.00 14.69 H new ATOM 0 HA SER A 2 -20.674 18.205 -16.239 1.00 14.11 H new ATOM 0 HB2 SER A 2 -19.069 19.920 -17.219 1.00 14.38 H new ATOM 0 HB3 SER A 2 -18.735 18.789 -18.515 1.00 14.38 H new ATOM 0 HG SER A 2 -21.066 18.803 -18.953 1.00 14.60 H new ATOM 21 N HIS A 3 -20.254 15.548 -16.979 1.00 13.19 N ATOM 22 CA HIS A 3 -20.627 14.289 -17.608 1.00 12.67 C ATOM 23 C HIS A 3 -20.951 13.250 -16.546 1.00 11.99 C ATOM 24 O HIS A 3 -20.134 12.973 -15.666 1.00 12.05 O ATOM 25 CB HIS A 3 -19.502 13.776 -18.517 1.00 13.18 C ATOM 26 CG HIS A 3 -19.936 13.558 -19.933 1.00 13.68 C ATOM 27 ND1 HIS A 3 -19.369 12.619 -20.767 1.00 14.14 N ATOM 28 CD2 HIS A 3 -20.889 14.176 -20.664 1.00 13.99 C ATOM 29 CE1 HIS A 3 -19.953 12.677 -21.949 1.00 14.68 C ATOM 30 NE2 HIS A 3 -20.880 13.612 -21.911 1.00 14.60 N ATOM 0 H HIS A 3 -20.037 15.473 -15.985 1.00 13.19 H new ATOM 0 HA HIS A 3 -21.511 14.463 -18.221 1.00 12.67 H new ATOM 0 HB2 HIS A 3 -18.679 14.490 -18.503 1.00 13.18 H new ATOM 0 HB3 HIS A 3 -19.118 12.839 -18.114 1.00 13.18 H new ATOM 0 HD2 HIS A 3 -21.539 14.970 -20.326 1.00 13.99 H new ATOM 0 HE1 HIS A 3 -19.712 12.062 -22.803 1.00 14.68 H new ATOM 0 HE2 HIS A 3 -21.491 13.873 -22.685 1.00 14.60 H new ATOM 39 N MET A 4 -22.145 12.692 -16.624 1.00 11.52 N ATOM 40 CA MET A 4 -22.569 11.676 -15.680 1.00 11.00 C ATOM 41 C MET A 4 -22.729 10.340 -16.386 1.00 10.19 C ATOM 42 O MET A 4 -23.739 10.083 -17.045 1.00 10.08 O ATOM 43 CB MET A 4 -23.881 12.073 -15.000 1.00 11.26 C ATOM 44 CG MET A 4 -24.304 11.115 -13.899 1.00 11.60 C ATOM 45 SD MET A 4 -23.119 11.067 -12.540 1.00 12.31 S ATOM 46 CE MET A 4 -23.795 9.737 -11.551 1.00 12.73 C ATOM 0 H MET A 4 -22.839 12.926 -17.333 1.00 11.52 H new ATOM 0 HA MET A 4 -21.801 11.583 -14.912 1.00 11.00 H new ATOM 0 HB2 MET A 4 -23.776 13.073 -14.580 1.00 11.26 H new ATOM 0 HB3 MET A 4 -24.670 12.123 -15.750 1.00 11.26 H new ATOM 0 HG2 MET A 4 -25.280 11.413 -13.516 1.00 11.60 H new ATOM 0 HG3 MET A 4 -24.417 10.114 -14.315 1.00 11.60 H new ATOM 0 HE1 MET A 4 -23.171 9.585 -10.670 1.00 12.73 H new ATOM 0 HE2 MET A 4 -24.807 9.994 -11.238 1.00 12.73 H new ATOM 0 HE3 MET A 4 -23.819 8.821 -12.141 1.00 12.73 H new ATOM 56 N VAL A 5 -21.711 9.508 -16.277 1.00 9.82 N ATOM 57 CA VAL A 5 -21.758 8.173 -16.837 1.00 9.21 C ATOM 58 C VAL A 5 -21.884 7.153 -15.714 1.00 8.39 C ATOM 59 O VAL A 5 -21.253 7.296 -14.666 1.00 8.39 O ATOM 60 CB VAL A 5 -20.506 7.866 -17.695 1.00 9.62 C ATOM 61 CG1 VAL A 5 -20.456 8.782 -18.909 1.00 10.18 C ATOM 62 CG2 VAL A 5 -19.228 8.001 -16.878 1.00 10.12 C ATOM 0 H VAL A 5 -20.837 9.736 -15.803 1.00 9.82 H new ATOM 0 HA VAL A 5 -22.628 8.112 -17.491 1.00 9.21 H new ATOM 0 HB VAL A 5 -20.580 6.833 -18.035 1.00 9.62 H new ATOM 0 HG11 VAL A 5 -19.570 8.553 -19.501 1.00 10.18 H new ATOM 0 HG12 VAL A 5 -21.348 8.630 -19.517 1.00 10.18 H new ATOM 0 HG13 VAL A 5 -20.414 9.820 -18.580 1.00 10.18 H new ATOM 0 HG21 VAL A 5 -18.368 7.779 -17.509 1.00 10.12 H new ATOM 0 HG22 VAL A 5 -19.146 9.019 -16.497 1.00 10.12 H new ATOM 0 HG23 VAL A 5 -19.255 7.302 -16.042 1.00 10.12 H new ATOM 72 N GLU A 6 -22.703 6.134 -15.923 1.00 7.91 N ATOM 73 CA GLU A 6 -22.942 5.132 -14.894 1.00 7.32 C ATOM 74 C GLU A 6 -21.830 4.092 -14.882 1.00 6.47 C ATOM 75 O GLU A 6 -22.072 2.897 -15.066 1.00 6.49 O ATOM 76 CB GLU A 6 -24.305 4.458 -15.081 1.00 7.80 C ATOM 77 CG GLU A 6 -25.485 5.326 -14.678 1.00 8.31 C ATOM 78 CD GLU A 6 -25.733 6.482 -15.624 1.00 8.82 C ATOM 79 OE1 GLU A 6 -26.152 6.228 -16.775 1.00 9.12 O ATOM 80 OE2 GLU A 6 -25.541 7.643 -15.216 1.00 9.14 O ATOM 0 H GLU A 6 -23.212 5.978 -16.793 1.00 7.91 H new ATOM 0 HA GLU A 6 -22.948 5.642 -13.931 1.00 7.32 H new ATOM 0 HB2 GLU A 6 -24.417 4.173 -16.127 1.00 7.80 H new ATOM 0 HB3 GLU A 6 -24.327 3.538 -14.496 1.00 7.80 H new ATOM 0 HG2 GLU A 6 -26.381 4.708 -14.629 1.00 8.31 H new ATOM 0 HG3 GLU A 6 -25.313 5.717 -13.675 1.00 8.31 H new ATOM 87 N ARG A 7 -20.611 4.559 -14.668 1.00 5.97 N ATOM 88 CA ARG A 7 -19.461 3.681 -14.539 1.00 5.27 C ATOM 89 C ARG A 7 -18.849 3.858 -13.157 1.00 4.71 C ATOM 90 O ARG A 7 -17.908 4.630 -12.990 1.00 4.95 O ATOM 91 CB ARG A 7 -18.410 3.984 -15.610 1.00 5.61 C ATOM 92 CG ARG A 7 -18.921 3.863 -17.035 1.00 5.93 C ATOM 93 CD ARG A 7 -17.796 4.030 -18.044 1.00 6.48 C ATOM 94 NE ARG A 7 -16.783 2.981 -17.904 1.00 6.96 N ATOM 95 CZ ARG A 7 -15.725 2.844 -18.703 1.00 7.68 C ATOM 96 NH1 ARG A 7 -15.489 3.736 -19.660 1.00 7.98 N ATOM 97 NH2 ARG A 7 -14.889 1.826 -18.524 1.00 8.35 N ATOM 0 H ARG A 7 -20.392 5.551 -14.579 1.00 5.97 H new ATOM 0 HA ARG A 7 -19.794 2.652 -14.673 1.00 5.27 H new ATOM 0 HB2 ARG A 7 -18.032 4.995 -15.456 1.00 5.61 H new ATOM 0 HB3 ARG A 7 -17.568 3.305 -15.479 1.00 5.61 H new ATOM 0 HG2 ARG A 7 -19.393 2.890 -17.172 1.00 5.93 H new ATOM 0 HG3 ARG A 7 -19.687 4.618 -17.214 1.00 5.93 H new ATOM 0 HD2 ARG A 7 -18.206 4.007 -19.054 1.00 6.48 H new ATOM 0 HD3 ARG A 7 -17.330 5.006 -17.911 1.00 6.48 H new ATOM 0 HE ARG A 7 -16.895 2.310 -17.144 1.00 6.96 H new ATOM 0 HH11 ARG A 7 -16.119 4.529 -19.785 1.00 7.98 H new ATOM 0 HH12 ARG A 7 -14.678 3.628 -20.269 1.00 7.98 H new ATOM 0 HH21 ARG A 7 -15.058 1.152 -17.777 1.00 8.35 H new ATOM 0 HH22 ARG A 7 -14.078 1.718 -19.134 1.00 8.35 H new ATOM 111 N PRO A 8 -19.389 3.158 -12.151 1.00 4.27 N ATOM 112 CA PRO A 8 -18.959 3.302 -10.763 1.00 3.88 C ATOM 113 C PRO A 8 -17.635 2.592 -10.490 1.00 3.07 C ATOM 114 O PRO A 8 -17.546 1.368 -10.578 1.00 2.74 O ATOM 115 CB PRO A 8 -20.092 2.647 -9.954 1.00 4.13 C ATOM 116 CG PRO A 8 -21.143 2.266 -10.947 1.00 4.60 C ATOM 117 CD PRO A 8 -20.453 2.164 -12.276 1.00 4.51 C ATOM 0 HA PRO A 8 -18.786 4.346 -10.503 1.00 3.88 H new ATOM 0 HB2 PRO A 8 -19.730 1.772 -9.414 1.00 4.13 H new ATOM 0 HB3 PRO A 8 -20.490 3.338 -9.211 1.00 4.13 H new ATOM 0 HG2 PRO A 8 -21.607 1.318 -10.677 1.00 4.60 H new ATOM 0 HG3 PRO A 8 -21.937 3.012 -10.978 1.00 4.60 H new ATOM 0 HD2 PRO A 8 -20.057 1.164 -12.453 1.00 4.51 H new ATOM 0 HD3 PRO A 8 -21.127 2.391 -13.102 1.00 4.51 H new ATOM 125 N PRO A 9 -16.583 3.359 -10.182 1.00 3.13 N ATOM 126 CA PRO A 9 -15.300 2.818 -9.786 1.00 2.76 C ATOM 127 C PRO A 9 -15.222 2.669 -8.269 1.00 1.86 C ATOM 128 O PRO A 9 -14.870 3.616 -7.558 1.00 2.21 O ATOM 129 CB PRO A 9 -14.305 3.873 -10.286 1.00 3.66 C ATOM 130 CG PRO A 9 -15.105 5.125 -10.530 1.00 4.29 C ATOM 131 CD PRO A 9 -16.547 4.822 -10.201 1.00 4.00 C ATOM 0 HA PRO A 9 -15.108 1.825 -10.192 1.00 2.76 H new ATOM 0 HB2 PRO A 9 -13.522 4.049 -9.549 1.00 3.66 H new ATOM 0 HB3 PRO A 9 -13.813 3.541 -11.200 1.00 3.66 H new ATOM 0 HG2 PRO A 9 -14.735 5.942 -9.910 1.00 4.29 H new ATOM 0 HG3 PRO A 9 -15.009 5.444 -11.568 1.00 4.29 H new ATOM 0 HD2 PRO A 9 -16.839 5.245 -9.240 1.00 4.00 H new ATOM 0 HD3 PRO A 9 -17.226 5.232 -10.949 1.00 4.00 H new ATOM 139 N VAL A 10 -15.574 1.492 -7.776 1.00 1.31 N ATOM 140 CA VAL A 10 -15.602 1.256 -6.344 1.00 1.04 C ATOM 141 C VAL A 10 -14.185 1.128 -5.805 1.00 0.88 C ATOM 142 O VAL A 10 -13.475 0.164 -6.095 1.00 1.10 O ATOM 143 CB VAL A 10 -16.417 -0.002 -5.981 1.00 1.75 C ATOM 144 CG1 VAL A 10 -16.520 -0.157 -4.470 1.00 2.58 C ATOM 145 CG2 VAL A 10 -17.802 0.054 -6.609 1.00 2.47 C ATOM 0 H VAL A 10 -15.843 0.689 -8.345 1.00 1.31 H new ATOM 0 HA VAL A 10 -16.093 2.113 -5.883 1.00 1.04 H new ATOM 0 HB VAL A 10 -15.896 -0.872 -6.380 1.00 1.75 H new ATOM 0 HG11 VAL A 10 -17.099 -1.050 -4.234 1.00 2.58 H new ATOM 0 HG12 VAL A 10 -15.521 -0.249 -4.045 1.00 2.58 H new ATOM 0 HG13 VAL A 10 -17.015 0.718 -4.047 1.00 2.58 H new ATOM 0 HG21 VAL A 10 -18.360 -0.843 -6.340 1.00 2.47 H new ATOM 0 HG22 VAL A 10 -18.332 0.934 -6.244 1.00 2.47 H new ATOM 0 HG23 VAL A 10 -17.708 0.111 -7.693 1.00 2.47 H new ATOM 155 N VAL A 11 -13.770 2.127 -5.047 1.00 0.67 N ATOM 156 CA VAL A 11 -12.458 2.151 -4.466 1.00 0.60 C ATOM 157 C VAL A 11 -12.451 1.374 -3.152 1.00 0.56 C ATOM 158 O VAL A 11 -12.718 1.918 -2.074 1.00 0.74 O ATOM 159 CB VAL A 11 -12.009 3.609 -4.252 1.00 0.61 C ATOM 160 CG1 VAL A 11 -10.699 3.671 -3.511 1.00 1.00 C ATOM 161 CG2 VAL A 11 -11.896 4.320 -5.593 1.00 0.98 C ATOM 0 H VAL A 11 -14.341 2.942 -4.822 1.00 0.67 H new ATOM 0 HA VAL A 11 -11.753 1.671 -5.145 1.00 0.60 H new ATOM 0 HB VAL A 11 -12.760 4.113 -3.644 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -10.407 4.712 -3.375 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -10.809 3.194 -2.537 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -9.932 3.151 -4.085 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -11.578 5.350 -5.433 1.00 0.98 H new ATOM 0 HG22 VAL A 11 -11.164 3.807 -6.216 1.00 0.98 H new ATOM 0 HG23 VAL A 11 -12.865 4.313 -6.092 1.00 0.98 H new ATOM 171 N THR A 12 -12.184 0.086 -3.260 1.00 0.46 N ATOM 172 CA THR A 12 -12.121 -0.782 -2.104 1.00 0.45 C ATOM 173 C THR A 12 -10.721 -0.767 -1.508 1.00 0.39 C ATOM 174 O THR A 12 -9.764 -1.225 -2.136 1.00 0.43 O ATOM 175 CB THR A 12 -12.509 -2.228 -2.475 1.00 0.55 C ATOM 176 OG1 THR A 12 -13.830 -2.250 -3.033 1.00 0.66 O ATOM 177 CG2 THR A 12 -12.459 -3.141 -1.258 1.00 0.62 C ATOM 0 H THR A 12 -12.006 -0.384 -4.148 1.00 0.46 H new ATOM 0 HA THR A 12 -12.832 -0.409 -1.367 1.00 0.45 H new ATOM 0 HB THR A 12 -11.791 -2.592 -3.210 1.00 0.55 H new ATOM 0 HG1 THR A 12 -14.369 -2.927 -2.572 1.00 0.66 H new ATOM 0 HG21 THR A 12 -12.737 -4.153 -1.551 1.00 0.62 H new ATOM 0 HG22 THR A 12 -11.449 -3.147 -0.849 1.00 0.62 H new ATOM 0 HG23 THR A 12 -13.155 -2.778 -0.502 1.00 0.62 H new ATOM 185 N ILE A 13 -10.595 -0.214 -0.310 1.00 0.39 N ATOM 186 CA ILE A 13 -9.323 -0.220 0.385 1.00 0.38 C ATOM 187 C ILE A 13 -9.028 -1.611 0.930 1.00 0.37 C ATOM 188 O ILE A 13 -9.762 -2.148 1.766 1.00 0.51 O ATOM 189 CB ILE A 13 -9.277 0.815 1.528 1.00 0.50 C ATOM 190 CG1 ILE A 13 -9.450 2.228 0.959 1.00 0.86 C ATOM 191 CG2 ILE A 13 -7.964 0.701 2.296 1.00 0.80 C ATOM 192 CD1 ILE A 13 -9.356 3.314 2.003 1.00 1.03 C ATOM 0 H ILE A 13 -11.355 0.241 0.196 1.00 0.39 H new ATOM 0 HA ILE A 13 -8.558 0.059 -0.340 1.00 0.38 H new ATOM 0 HB ILE A 13 -10.094 0.615 2.221 1.00 0.50 H new ATOM 0 HG12 ILE A 13 -8.689 2.400 0.198 1.00 0.86 H new ATOM 0 HG13 ILE A 13 -10.418 2.295 0.463 1.00 0.86 H new ATOM 0 HG21 ILE A 13 -7.947 1.438 3.099 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -7.876 -0.299 2.720 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -7.129 0.883 1.619 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -9.488 4.287 1.529 1.00 1.03 H new ATOM 0 HD12 ILE A 13 -10.134 3.167 2.752 1.00 1.03 H new ATOM 0 HD13 ILE A 13 -8.378 3.274 2.483 1.00 1.03 H new ATOM 204 N MET A 14 -7.957 -2.183 0.425 1.00 0.31 N ATOM 205 CA MET A 14 -7.530 -3.523 0.803 1.00 0.35 C ATOM 206 C MET A 14 -6.154 -3.468 1.443 1.00 0.29 C ATOM 207 O MET A 14 -5.578 -2.398 1.580 1.00 0.46 O ATOM 208 CB MET A 14 -7.481 -4.446 -0.417 1.00 0.56 C ATOM 209 CG MET A 14 -8.837 -4.943 -0.881 1.00 0.75 C ATOM 210 SD MET A 14 -8.707 -5.974 -2.354 1.00 1.04 S ATOM 211 CE MET A 14 -10.337 -6.711 -2.406 1.00 0.77 C ATOM 0 H MET A 14 -7.352 -1.734 -0.263 1.00 0.31 H new ATOM 0 HA MET A 14 -8.253 -3.919 1.516 1.00 0.35 H new ATOM 0 HB2 MET A 14 -7.001 -3.916 -1.240 1.00 0.56 H new ATOM 0 HB3 MET A 14 -6.853 -5.306 -0.182 1.00 0.56 H new ATOM 0 HG2 MET A 14 -9.309 -5.512 -0.080 1.00 0.75 H new ATOM 0 HG3 MET A 14 -9.484 -4.091 -1.090 1.00 0.75 H new ATOM 0 HE1 MET A 14 -10.511 -7.141 -3.392 1.00 0.77 H new ATOM 0 HE2 MET A 14 -10.406 -7.494 -1.651 1.00 0.77 H new ATOM 0 HE3 MET A 14 -11.088 -5.947 -2.206 1.00 0.77 H new ATOM 221 N GLY A 15 -5.650 -4.619 1.851 1.00 0.34 N ATOM 222 CA GLY A 15 -4.314 -4.713 2.373 1.00 0.45 C ATOM 223 C GLY A 15 -4.270 -5.698 3.514 1.00 0.62 C ATOM 224 O GLY A 15 -4.192 -6.909 3.313 1.00 1.55 O ATOM 0 H GLY A 15 -6.157 -5.504 1.827 1.00 0.34 H new ATOM 0 HA2 GLY A 15 -3.629 -5.027 1.585 1.00 0.45 H new ATOM 0 HA3 GLY A 15 -3.979 -3.734 2.715 1.00 0.45 H new ATOM 228 N HIS A 16 -4.353 -5.149 4.700 1.00 0.51 N ATOM 229 CA HIS A 16 -4.458 -5.900 5.934 1.00 0.45 C ATOM 230 C HIS A 16 -4.725 -4.911 7.066 1.00 0.49 C ATOM 231 O HIS A 16 -4.218 -3.789 7.057 1.00 0.64 O ATOM 232 CB HIS A 16 -3.179 -6.700 6.192 1.00 0.43 C ATOM 233 CG HIS A 16 -3.140 -7.365 7.534 1.00 0.48 C ATOM 234 ND1 HIS A 16 -2.342 -7.113 8.597 1.00 0.62 N flip ATOM 235 CD2 HIS A 16 -4.004 -8.386 7.855 1.00 0.50 C flip ATOM 236 CE1 HIS A 16 -2.715 -7.987 9.587 1.00 0.66 C flip ATOM 237 NE2 HIS A 16 -3.713 -8.733 9.096 1.00 0.59 N flip ATOM 0 H HIS A 16 -4.350 -4.139 4.842 1.00 0.51 H new ATOM 0 HA HIS A 16 -5.276 -6.618 5.869 1.00 0.45 H new ATOM 0 HB2 HIS A 16 -3.075 -7.460 5.418 1.00 0.43 H new ATOM 0 HB3 HIS A 16 -2.321 -6.034 6.102 1.00 0.43 H new ATOM 0 HD2 HIS A 16 -4.765 -8.816 7.221 1.00 0.50 H new ATOM 0 HE1 HIS A 16 -2.285 -8.060 10.575 1.00 0.66 H new ATOM 0 HE2 HIS A 16 -4.187 -9.473 9.613 1.00 0.59 H new ATOM 245 N VAL A 17 -5.545 -5.335 8.023 1.00 0.53 N ATOM 246 CA VAL A 17 -6.083 -4.453 9.059 1.00 0.67 C ATOM 247 C VAL A 17 -4.996 -3.781 9.913 1.00 0.64 C ATOM 248 O VAL A 17 -5.223 -2.706 10.469 1.00 0.78 O ATOM 249 CB VAL A 17 -7.063 -5.229 9.972 1.00 0.87 C ATOM 250 CG1 VAL A 17 -6.349 -6.337 10.732 1.00 1.55 C ATOM 251 CG2 VAL A 17 -7.781 -4.291 10.933 1.00 1.62 C ATOM 0 H VAL A 17 -5.857 -6.303 8.104 1.00 0.53 H new ATOM 0 HA VAL A 17 -6.611 -3.656 8.536 1.00 0.67 H new ATOM 0 HB VAL A 17 -7.812 -5.691 9.330 1.00 0.87 H new ATOM 0 HG11 VAL A 17 -7.064 -6.864 11.364 1.00 1.55 H new ATOM 0 HG12 VAL A 17 -5.906 -7.037 10.024 1.00 1.55 H new ATOM 0 HG13 VAL A 17 -5.564 -5.905 11.353 1.00 1.55 H new ATOM 0 HG21 VAL A 17 -8.462 -4.865 11.561 1.00 1.62 H new ATOM 0 HG22 VAL A 17 -7.049 -3.784 11.561 1.00 1.62 H new ATOM 0 HG23 VAL A 17 -8.346 -3.552 10.366 1.00 1.62 H new ATOM 261 N ASP A 18 -3.822 -4.396 10.002 1.00 0.57 N ATOM 262 CA ASP A 18 -2.753 -3.887 10.864 1.00 0.61 C ATOM 263 C ASP A 18 -2.089 -2.643 10.273 1.00 0.56 C ATOM 264 O ASP A 18 -1.688 -1.738 11.011 1.00 0.69 O ATOM 265 CB ASP A 18 -1.692 -4.966 11.097 1.00 0.69 C ATOM 266 CG ASP A 18 -0.605 -4.525 12.062 1.00 1.06 C ATOM 267 OD1 ASP A 18 0.346 -3.842 11.629 1.00 1.78 O ATOM 268 OD2 ASP A 18 -0.694 -4.860 13.263 1.00 1.17 O ATOM 0 H ASP A 18 -3.583 -5.246 9.491 1.00 0.57 H new ATOM 0 HA ASP A 18 -3.212 -3.612 11.814 1.00 0.61 H new ATOM 0 HB2 ASP A 18 -2.173 -5.864 11.485 1.00 0.69 H new ATOM 0 HB3 ASP A 18 -1.238 -5.234 10.143 1.00 0.69 H new ATOM 273 N HIS A 19 -2.003 -2.596 8.945 1.00 0.46 N ATOM 274 CA HIS A 19 -1.260 -1.549 8.250 1.00 0.48 C ATOM 275 C HIS A 19 -1.841 -0.160 8.495 1.00 0.58 C ATOM 276 O HIS A 19 -1.139 0.846 8.378 1.00 0.65 O ATOM 277 CB HIS A 19 -1.222 -1.833 6.749 1.00 0.46 C ATOM 278 CG HIS A 19 -0.418 -3.043 6.392 1.00 0.40 C ATOM 279 ND1 HIS A 19 -0.961 -4.087 5.684 1.00 0.60 N ATOM 280 CD2 HIS A 19 0.885 -3.312 6.647 1.00 0.56 C ATOM 281 CE1 HIS A 19 0.016 -4.961 5.528 1.00 0.53 C ATOM 282 NE2 HIS A 19 1.153 -4.534 6.093 1.00 0.48 N ATOM 0 H HIS A 19 -2.443 -3.277 8.326 1.00 0.46 H new ATOM 0 HA HIS A 19 -0.248 -1.558 8.654 1.00 0.48 H new ATOM 0 HB2 HIS A 19 -2.241 -1.963 6.386 1.00 0.46 H new ATOM 0 HB3 HIS A 19 -0.808 -0.966 6.233 1.00 0.46 H new ATOM 0 HD2 HIS A 19 1.579 -2.683 7.184 1.00 0.56 H new ATOM 0 HE1 HIS A 19 -0.088 -5.903 5.010 1.00 0.53 H new ATOM 0 HE2 HIS A 19 2.047 -5.025 6.107 1.00 0.48 H new ATOM 290 N GLY A 20 -3.118 -0.107 8.836 1.00 0.76 N ATOM 291 CA GLY A 20 -3.743 1.163 9.131 1.00 0.90 C ATOM 292 C GLY A 20 -4.628 1.645 8.006 1.00 0.81 C ATOM 293 O GLY A 20 -4.357 2.668 7.379 1.00 0.93 O ATOM 0 H GLY A 20 -3.731 -0.918 8.914 1.00 0.76 H new ATOM 0 HA2 GLY A 20 -4.335 1.070 10.041 1.00 0.90 H new ATOM 0 HA3 GLY A 20 -2.971 1.908 9.327 1.00 0.90 H new ATOM 297 N LYS A 21 -5.698 0.911 7.751 1.00 0.79 N ATOM 298 CA LYS A 21 -6.648 1.291 6.719 1.00 0.87 C ATOM 299 C LYS A 21 -7.689 2.236 7.302 1.00 0.89 C ATOM 300 O LYS A 21 -8.416 2.914 6.576 1.00 0.93 O ATOM 301 CB LYS A 21 -7.330 0.053 6.129 1.00 1.09 C ATOM 302 CG LYS A 21 -7.868 -0.908 7.178 1.00 1.20 C ATOM 303 CD LYS A 21 -8.820 -1.932 6.581 1.00 1.39 C ATOM 304 CE LYS A 21 -10.121 -1.285 6.134 1.00 1.73 C ATOM 305 NZ LYS A 21 -10.756 -0.507 7.231 1.00 2.11 N ATOM 0 H LYS A 21 -5.931 0.049 8.244 1.00 0.79 H new ATOM 0 HA LYS A 21 -6.110 1.799 5.918 1.00 0.87 H new ATOM 0 HB2 LYS A 21 -8.151 0.373 5.487 1.00 1.09 H new ATOM 0 HB3 LYS A 21 -6.618 -0.476 5.496 1.00 1.09 H new ATOM 0 HG2 LYS A 21 -7.036 -1.424 7.657 1.00 1.20 H new ATOM 0 HG3 LYS A 21 -8.384 -0.344 7.955 1.00 1.20 H new ATOM 0 HD2 LYS A 21 -8.344 -2.421 5.731 1.00 1.39 H new ATOM 0 HD3 LYS A 21 -9.032 -2.707 7.317 1.00 1.39 H new ATOM 0 HE2 LYS A 21 -9.928 -0.627 5.287 1.00 1.73 H new ATOM 0 HE3 LYS A 21 -10.810 -2.055 5.789 1.00 1.73 H new ATOM 0 HZ1 LYS A 21 -11.769 -0.384 7.028 1.00 2.11 H new ATOM 0 HZ2 LYS A 21 -10.643 -1.018 8.130 1.00 2.11 H new ATOM 0 HZ3 LYS A 21 -10.301 0.426 7.303 1.00 2.11 H new ATOM 319 N THR A 22 -7.748 2.277 8.622 1.00 0.92 N ATOM 320 CA THR A 22 -8.705 3.117 9.315 1.00 1.00 C ATOM 321 C THR A 22 -8.236 4.567 9.319 1.00 0.99 C ATOM 322 O THR A 22 -9.049 5.492 9.305 1.00 1.03 O ATOM 323 CB THR A 22 -8.931 2.610 10.752 1.00 1.10 C ATOM 324 OG1 THR A 22 -9.220 1.205 10.710 1.00 1.80 O ATOM 325 CG2 THR A 22 -10.082 3.344 11.427 1.00 1.65 C ATOM 0 H THR A 22 -7.141 1.735 9.236 1.00 0.92 H new ATOM 0 HA THR A 22 -9.656 3.067 8.785 1.00 1.00 H new ATOM 0 HB THR A 22 -8.027 2.797 11.331 1.00 1.10 H new ATOM 0 HG1 THR A 22 -9.364 0.873 11.621 1.00 1.80 H new ATOM 0 HG21 THR A 22 -10.214 2.961 12.439 1.00 1.65 H new ATOM 0 HG22 THR A 22 -9.859 4.410 11.468 1.00 1.65 H new ATOM 0 HG23 THR A 22 -10.998 3.186 10.857 1.00 1.65 H new ATOM 333 N THR A 23 -6.921 4.765 9.309 1.00 0.99 N ATOM 334 CA THR A 23 -6.348 6.099 9.200 1.00 1.02 C ATOM 335 C THR A 23 -6.697 6.739 7.858 1.00 0.96 C ATOM 336 O THR A 23 -6.777 7.956 7.751 1.00 0.96 O ATOM 337 CB THR A 23 -4.820 6.072 9.397 1.00 1.12 C ATOM 338 OG1 THR A 23 -4.310 4.746 9.181 1.00 1.77 O ATOM 339 CG2 THR A 23 -4.454 6.536 10.797 1.00 1.41 C ATOM 0 H THR A 23 -6.232 4.015 9.375 1.00 0.99 H new ATOM 0 HA THR A 23 -6.783 6.705 9.995 1.00 1.02 H new ATOM 0 HB THR A 23 -4.373 6.750 8.670 1.00 1.12 H new ATOM 0 HG1 THR A 23 -4.630 4.409 8.318 1.00 1.77 H new ATOM 0 HG21 THR A 23 -3.371 6.510 10.917 1.00 1.41 H new ATOM 0 HG22 THR A 23 -4.812 7.555 10.948 1.00 1.41 H new ATOM 0 HG23 THR A 23 -4.917 5.877 11.531 1.00 1.41 H new ATOM 347 N LEU A 24 -6.916 5.915 6.842 1.00 0.96 N ATOM 348 CA LEU A 24 -7.396 6.406 5.551 1.00 0.96 C ATOM 349 C LEU A 24 -8.849 6.820 5.673 1.00 0.89 C ATOM 350 O LEU A 24 -9.205 7.937 5.325 1.00 0.91 O ATOM 351 CB LEU A 24 -7.224 5.341 4.458 1.00 1.06 C ATOM 352 CG LEU A 24 -5.813 5.218 3.866 1.00 0.88 C ATOM 353 CD1 LEU A 24 -4.801 4.807 4.925 1.00 1.78 C ATOM 354 CD2 LEU A 24 -5.806 4.226 2.714 1.00 1.57 C ATOM 0 H LEU A 24 -6.770 4.906 6.883 1.00 0.96 H new ATOM 0 HA LEU A 24 -6.802 7.273 5.262 1.00 0.96 H new ATOM 0 HB2 LEU A 24 -7.511 4.374 4.870 1.00 1.06 H new ATOM 0 HB3 LEU A 24 -7.920 5.561 3.649 1.00 1.06 H new ATOM 0 HG LEU A 24 -5.523 6.199 3.489 1.00 0.88 H new ATOM 0 HD11 LEU A 24 -3.812 4.729 4.473 1.00 1.78 H new ATOM 0 HD12 LEU A 24 -4.779 5.555 5.717 1.00 1.78 H new ATOM 0 HD13 LEU A 24 -5.085 3.842 5.345 1.00 1.78 H new ATOM 0 HD21 LEU A 24 -4.798 4.150 2.305 1.00 1.57 H new ATOM 0 HD22 LEU A 24 -6.126 3.248 3.074 1.00 1.57 H new ATOM 0 HD23 LEU A 24 -6.489 4.567 1.936 1.00 1.57 H new ATOM 366 N LEU A 25 -9.674 5.946 6.228 1.00 0.88 N ATOM 367 CA LEU A 25 -11.089 6.255 6.403 1.00 0.91 C ATOM 368 C LEU A 25 -11.270 7.485 7.295 1.00 0.89 C ATOM 369 O LEU A 25 -12.298 8.150 7.246 1.00 0.92 O ATOM 370 CB LEU A 25 -11.839 5.060 6.998 1.00 1.02 C ATOM 371 CG LEU A 25 -12.998 4.534 6.144 1.00 1.21 C ATOM 372 CD1 LEU A 25 -12.475 3.830 4.904 1.00 1.76 C ATOM 373 CD2 LEU A 25 -13.896 3.608 6.948 1.00 1.96 C ATOM 0 H LEU A 25 -9.394 5.024 6.563 1.00 0.88 H new ATOM 0 HA LEU A 25 -11.507 6.472 5.420 1.00 0.91 H new ATOM 0 HB2 LEU A 25 -11.129 4.249 7.160 1.00 1.02 H new ATOM 0 HB3 LEU A 25 -12.227 5.344 7.976 1.00 1.02 H new ATOM 0 HG LEU A 25 -13.595 5.389 5.828 1.00 1.21 H new ATOM 0 HD11 LEU A 25 -13.314 3.464 4.312 1.00 1.76 H new ATOM 0 HD12 LEU A 25 -11.888 4.530 4.309 1.00 1.76 H new ATOM 0 HD13 LEU A 25 -11.847 2.990 5.200 1.00 1.76 H new ATOM 0 HD21 LEU A 25 -14.709 3.251 6.316 1.00 1.96 H new ATOM 0 HD22 LEU A 25 -13.315 2.758 7.307 1.00 1.96 H new ATOM 0 HD23 LEU A 25 -14.309 4.150 7.799 1.00 1.96 H new ATOM 385 N ASP A 26 -10.259 7.782 8.105 1.00 0.91 N ATOM 386 CA ASP A 26 -10.301 8.940 8.994 1.00 0.96 C ATOM 387 C ASP A 26 -9.681 10.181 8.354 1.00 0.92 C ATOM 388 O ASP A 26 -10.336 11.216 8.239 1.00 0.95 O ATOM 389 CB ASP A 26 -9.588 8.632 10.294 1.00 1.05 C ATOM 390 CG ASP A 26 -9.624 9.794 11.266 1.00 1.21 C ATOM 391 OD1 ASP A 26 -10.732 10.273 11.586 1.00 1.35 O ATOM 392 OD2 ASP A 26 -8.545 10.215 11.730 1.00 1.38 O ATOM 0 H ASP A 26 -9.399 7.237 8.165 1.00 0.91 H new ATOM 0 HA ASP A 26 -11.352 9.153 9.190 1.00 0.96 H new ATOM 0 HB2 ASP A 26 -10.048 7.760 10.759 1.00 1.05 H new ATOM 0 HB3 ASP A 26 -8.551 8.371 10.083 1.00 1.05 H new ATOM 397 N ALA A 27 -8.424 10.076 7.933 1.00 0.89 N ATOM 398 CA ALA A 27 -7.709 11.224 7.376 1.00 0.89 C ATOM 399 C ALA A 27 -8.337 11.689 6.071 1.00 0.85 C ATOM 400 O ALA A 27 -8.253 12.863 5.719 1.00 0.90 O ATOM 401 CB ALA A 27 -6.240 10.900 7.159 1.00 0.91 C ATOM 0 H ALA A 27 -7.880 9.214 7.966 1.00 0.89 H new ATOM 0 HA ALA A 27 -7.785 12.034 8.101 1.00 0.89 H new ATOM 0 HB1 ALA A 27 -5.733 11.771 6.744 1.00 0.91 H new ATOM 0 HB2 ALA A 27 -5.782 10.633 8.111 1.00 0.91 H new ATOM 0 HB3 ALA A 27 -6.150 10.064 6.466 1.00 0.91 H new ATOM 407 N ILE A 28 -8.963 10.766 5.358 1.00 0.82 N ATOM 408 CA ILE A 28 -9.671 11.108 4.135 1.00 0.83 C ATOM 409 C ILE A 28 -10.942 11.893 4.465 1.00 0.88 C ATOM 410 O ILE A 28 -11.347 12.782 3.720 1.00 0.94 O ATOM 411 CB ILE A 28 -9.993 9.843 3.311 1.00 0.86 C ATOM 412 CG1 ILE A 28 -8.708 9.248 2.732 1.00 0.99 C ATOM 413 CG2 ILE A 28 -10.972 10.143 2.201 1.00 1.56 C ATOM 414 CD1 ILE A 28 -8.937 7.992 1.916 1.00 0.95 C ATOM 0 H ILE A 28 -8.995 9.777 5.604 1.00 0.82 H new ATOM 0 HA ILE A 28 -9.026 11.740 3.524 1.00 0.83 H new ATOM 0 HB ILE A 28 -10.455 9.117 3.980 1.00 0.86 H new ATOM 0 HG12 ILE A 28 -8.221 9.995 2.105 1.00 0.99 H new ATOM 0 HG13 ILE A 28 -8.022 9.021 3.548 1.00 0.99 H new ATOM 0 HG21 ILE A 28 -11.177 9.231 1.640 1.00 1.56 H new ATOM 0 HG22 ILE A 28 -11.900 10.523 2.627 1.00 1.56 H new ATOM 0 HG23 ILE A 28 -10.546 10.892 1.533 1.00 1.56 H new ATOM 0 HD11 ILE A 28 -7.983 7.625 1.537 1.00 0.95 H new ATOM 0 HD12 ILE A 28 -9.395 7.228 2.544 1.00 0.95 H new ATOM 0 HD13 ILE A 28 -9.598 8.217 1.079 1.00 0.95 H new ATOM 426 N ARG A 29 -11.552 11.587 5.608 1.00 0.93 N ATOM 427 CA ARG A 29 -12.657 12.397 6.117 1.00 1.04 C ATOM 428 C ARG A 29 -12.130 13.756 6.543 1.00 1.08 C ATOM 429 O ARG A 29 -12.816 14.774 6.440 1.00 1.17 O ATOM 430 CB ARG A 29 -13.344 11.729 7.305 1.00 1.16 C ATOM 431 CG ARG A 29 -14.191 10.531 6.934 1.00 1.33 C ATOM 432 CD ARG A 29 -14.857 9.927 8.162 1.00 1.58 C ATOM 433 NE ARG A 29 -15.670 10.909 8.887 1.00 2.13 N ATOM 434 CZ ARG A 29 -15.362 11.389 10.095 1.00 2.85 C ATOM 435 NH1 ARG A 29 -14.262 10.979 10.717 1.00 3.29 N ATOM 436 NH2 ARG A 29 -16.158 12.272 10.682 1.00 3.56 N ATOM 0 H ARG A 29 -11.303 10.791 6.195 1.00 0.93 H new ATOM 0 HA ARG A 29 -13.391 12.506 5.318 1.00 1.04 H new ATOM 0 HB2 ARG A 29 -12.585 11.416 8.021 1.00 1.16 H new ATOM 0 HB3 ARG A 29 -13.973 12.464 7.808 1.00 1.16 H new ATOM 0 HG2 ARG A 29 -14.953 10.830 6.214 1.00 1.33 H new ATOM 0 HG3 ARG A 29 -13.569 9.779 6.447 1.00 1.33 H new ATOM 0 HD2 ARG A 29 -15.486 9.090 7.858 1.00 1.58 H new ATOM 0 HD3 ARG A 29 -14.093 9.527 8.828 1.00 1.58 H new ATOM 0 HE ARG A 29 -16.523 11.246 8.441 1.00 2.13 H new ATOM 0 HH11 ARG A 29 -13.649 10.295 10.272 1.00 3.29 H new ATOM 0 HH12 ARG A 29 -14.030 11.348 11.639 1.00 3.29 H new ATOM 0 HH21 ARG A 29 -17.007 12.586 10.211 1.00 3.56 H new ATOM 0 HH22 ARG A 29 -15.922 12.638 11.604 1.00 3.56 H new ATOM 450 N HIS A 30 -10.893 13.755 7.016 1.00 1.05 N ATOM 451 CA HIS A 30 -10.194 14.979 7.375 1.00 1.13 C ATOM 452 C HIS A 30 -9.706 15.708 6.121 1.00 1.15 C ATOM 453 O HIS A 30 -8.917 16.646 6.198 1.00 1.32 O ATOM 454 CB HIS A 30 -9.024 14.666 8.288 1.00 1.23 C ATOM 455 CG HIS A 30 -9.100 15.334 9.613 1.00 1.70 C ATOM 456 ND1 HIS A 30 -8.642 16.606 9.866 1.00 2.44 N ATOM 457 CD2 HIS A 30 -9.584 14.874 10.765 1.00 2.01 C ATOM 458 CE1 HIS A 30 -8.844 16.895 11.137 1.00 2.88 C ATOM 459 NE2 HIS A 30 -9.421 15.857 11.711 1.00 2.60 N ATOM 0 H HIS A 30 -10.346 12.906 7.162 1.00 1.05 H new ATOM 0 HA HIS A 30 -10.889 15.631 7.904 1.00 1.13 H new ATOM 0 HB2 HIS A 30 -8.971 13.588 8.438 1.00 1.23 H new ATOM 0 HB3 HIS A 30 -8.100 14.965 7.794 1.00 1.23 H new ATOM 0 HD2 HIS A 30 -10.026 13.902 10.927 1.00 2.01 H new ATOM 0 HE1 HIS A 30 -8.582 17.823 11.624 1.00 2.88 H new ATOM 0 HE2 HIS A 30 -9.699 15.795 12.690 1.00 2.60 H new ATOM 468 N SER A 31 -10.166 15.241 4.970 1.00 1.07 N ATOM 469 CA SER A 31 -9.870 15.873 3.697 1.00 1.19 C ATOM 470 C SER A 31 -11.170 16.319 3.037 1.00 1.32 C ATOM 471 O SER A 31 -11.255 16.398 1.810 1.00 1.76 O ATOM 472 CB SER A 31 -9.103 14.907 2.787 1.00 1.15 C ATOM 473 OG SER A 31 -7.768 14.737 3.223 1.00 1.50 O ATOM 0 H SER A 31 -10.756 14.412 4.894 1.00 1.07 H new ATOM 0 HA SER A 31 -9.241 16.747 3.866 1.00 1.19 H new ATOM 0 HB2 SER A 31 -9.608 13.941 2.771 1.00 1.15 H new ATOM 0 HB3 SER A 31 -9.108 15.286 1.765 1.00 1.15 H new ATOM 0 HG SER A 31 -7.305 14.115 2.624 1.00 1.50 H new ATOM 479 N LYS A 32 -12.169 16.604 3.891 1.00 1.43 N ATOM 480 CA LYS A 32 -13.505 17.069 3.485 1.00 1.81 C ATOM 481 C LYS A 32 -14.105 16.217 2.361 1.00 1.37 C ATOM 482 O LYS A 32 -13.716 15.064 2.183 1.00 1.78 O ATOM 483 CB LYS A 32 -13.490 18.569 3.114 1.00 2.82 C ATOM 484 CG LYS A 32 -12.550 18.945 1.978 1.00 3.53 C ATOM 485 CD LYS A 32 -12.444 20.454 1.780 1.00 4.33 C ATOM 486 CE LYS A 32 -13.666 21.043 1.084 1.00 5.18 C ATOM 487 NZ LYS A 32 -14.866 21.092 1.960 1.00 5.71 N ATOM 0 H LYS A 32 -12.067 16.515 4.902 1.00 1.43 H new ATOM 0 HA LYS A 32 -14.157 16.946 4.350 1.00 1.81 H new ATOM 0 HB2 LYS A 32 -14.502 18.870 2.842 1.00 2.82 H new ATOM 0 HB3 LYS A 32 -13.214 19.143 3.998 1.00 2.82 H new ATOM 0 HG2 LYS A 32 -11.559 18.538 2.181 1.00 3.53 H new ATOM 0 HG3 LYS A 32 -12.900 18.485 1.054 1.00 3.53 H new ATOM 0 HD2 LYS A 32 -12.316 20.935 2.749 1.00 4.33 H new ATOM 0 HD3 LYS A 32 -11.553 20.678 1.193 1.00 4.33 H new ATOM 0 HE2 LYS A 32 -13.432 22.051 0.742 1.00 5.18 H new ATOM 0 HE3 LYS A 32 -13.894 20.450 0.198 1.00 5.18 H new ATOM 0 HZ1 LYS A 32 -15.358 21.998 1.824 1.00 5.71 H new ATOM 0 HZ2 LYS A 32 -15.507 20.310 1.715 1.00 5.71 H new ATOM 0 HZ3 LYS A 32 -14.574 21.002 2.954 1.00 5.71 H new ATOM 501 N VAL A 33 -15.116 16.780 1.680 1.00 1.59 N ATOM 502 CA VAL A 33 -15.796 16.184 0.510 1.00 1.75 C ATOM 503 C VAL A 33 -16.434 14.820 0.795 1.00 1.88 C ATOM 504 O VAL A 33 -17.020 14.208 -0.102 1.00 2.52 O ATOM 505 CB VAL A 33 -14.871 16.054 -0.730 1.00 2.22 C ATOM 506 CG1 VAL A 33 -14.048 17.319 -0.933 1.00 2.95 C ATOM 507 CG2 VAL A 33 -13.983 14.826 -0.635 1.00 2.99 C ATOM 0 H VAL A 33 -15.498 17.691 1.934 1.00 1.59 H new ATOM 0 HA VAL A 33 -16.592 16.895 0.288 1.00 1.75 H new ATOM 0 HB VAL A 33 -15.508 15.927 -1.605 1.00 2.22 H new ATOM 0 HG11 VAL A 33 -13.409 17.201 -1.808 1.00 2.95 H new ATOM 0 HG12 VAL A 33 -14.716 18.167 -1.083 1.00 2.95 H new ATOM 0 HG13 VAL A 33 -13.429 17.496 -0.053 1.00 2.95 H new ATOM 0 HG21 VAL A 33 -13.349 14.766 -1.519 1.00 2.99 H new ATOM 0 HG22 VAL A 33 -13.358 14.897 0.255 1.00 2.99 H new ATOM 0 HG23 VAL A 33 -14.604 13.932 -0.573 1.00 2.99 H new ATOM 517 N THR A 34 -16.346 14.360 2.030 1.00 1.80 N ATOM 518 CA THR A 34 -16.842 13.044 2.389 1.00 2.15 C ATOM 519 C THR A 34 -18.319 13.080 2.739 1.00 1.77 C ATOM 520 O THR A 34 -18.862 14.123 3.109 1.00 2.24 O ATOM 521 CB THR A 34 -16.037 12.437 3.562 1.00 3.04 C ATOM 522 OG1 THR A 34 -16.715 11.302 4.119 1.00 3.73 O ATOM 523 CG2 THR A 34 -15.782 13.468 4.651 1.00 3.93 C ATOM 0 H THR A 34 -15.934 14.881 2.804 1.00 1.80 H new ATOM 0 HA THR A 34 -16.711 12.409 1.513 1.00 2.15 H new ATOM 0 HB THR A 34 -15.077 12.113 3.160 1.00 3.04 H new ATOM 0 HG1 THR A 34 -16.255 10.480 3.848 1.00 3.73 H new ATOM 0 HG21 THR A 34 -15.214 13.009 5.461 1.00 3.93 H new ATOM 0 HG22 THR A 34 -15.215 14.302 4.237 1.00 3.93 H new ATOM 0 HG23 THR A 34 -16.734 13.833 5.037 1.00 3.93 H new ATOM 531 N GLU A 35 -18.956 11.935 2.608 1.00 1.44 N ATOM 532 CA GLU A 35 -20.366 11.795 2.926 1.00 1.66 C ATOM 533 C GLU A 35 -20.595 11.703 4.440 1.00 1.86 C ATOM 534 O GLU A 35 -20.710 12.732 5.110 1.00 2.52 O ATOM 535 CB GLU A 35 -20.959 10.588 2.204 1.00 2.22 C ATOM 536 CG GLU A 35 -21.019 10.747 0.693 1.00 3.01 C ATOM 537 CD GLU A 35 -21.919 11.884 0.253 1.00 3.69 C ATOM 538 OE1 GLU A 35 -21.441 13.037 0.199 1.00 4.12 O ATOM 539 OE2 GLU A 35 -23.109 11.641 -0.026 1.00 4.20 O ATOM 0 H GLU A 35 -18.515 11.076 2.279 1.00 1.44 H new ATOM 0 HA GLU A 35 -20.880 12.690 2.576 1.00 1.66 H new ATOM 0 HB2 GLU A 35 -20.366 9.705 2.444 1.00 2.22 H new ATOM 0 HB3 GLU A 35 -21.966 10.409 2.582 1.00 2.22 H new ATOM 0 HG2 GLU A 35 -20.013 10.919 0.311 1.00 3.01 H new ATOM 0 HG3 GLU A 35 -21.374 9.817 0.249 1.00 3.01 H new ATOM 546 N GLN A 36 -20.640 10.488 4.996 1.00 1.82 N ATOM 547 CA GLN A 36 -20.922 10.330 6.426 1.00 2.41 C ATOM 548 C GLN A 36 -20.558 8.943 6.968 1.00 2.32 C ATOM 549 O GLN A 36 -20.062 8.080 6.245 1.00 2.74 O ATOM 550 CB GLN A 36 -22.405 10.597 6.700 1.00 3.30 C ATOM 551 CG GLN A 36 -23.348 9.758 5.848 1.00 3.71 C ATOM 552 CD GLN A 36 -24.794 9.872 6.295 1.00 4.77 C ATOM 553 OE1 GLN A 36 -25.227 8.954 7.143 1.00 5.34 O flip ATOM 554 NE2 GLN A 36 -25.522 10.766 5.866 1.00 5.38 N flip ATOM 0 H GLN A 36 -20.488 9.616 4.490 1.00 1.82 H new ATOM 0 HA GLN A 36 -20.294 11.056 6.942 1.00 2.41 H new ATOM 0 HB2 GLN A 36 -22.611 10.403 7.753 1.00 3.30 H new ATOM 0 HB3 GLN A 36 -22.613 11.652 6.524 1.00 3.30 H new ATOM 0 HG2 GLN A 36 -23.267 10.071 4.807 1.00 3.71 H new ATOM 0 HG3 GLN A 36 -23.039 8.714 5.891 1.00 3.71 H new ATOM 0 HE21 GLN A 36 -25.151 11.456 5.213 1.00 5.38 H new ATOM 0 HE22 GLN A 36 -26.496 10.817 6.163 1.00 5.38 H new ATOM 563 N GLU A 37 -20.815 8.778 8.269 1.00 2.52 N ATOM 564 CA GLU A 37 -20.693 7.508 8.989 1.00 2.96 C ATOM 565 C GLU A 37 -19.272 6.942 9.026 1.00 3.08 C ATOM 566 O GLU A 37 -18.467 7.376 9.850 1.00 3.74 O ATOM 567 CB GLU A 37 -21.693 6.476 8.459 1.00 3.77 C ATOM 568 CG GLU A 37 -23.131 6.843 8.790 1.00 4.29 C ATOM 569 CD GLU A 37 -24.128 5.774 8.406 1.00 5.23 C ATOM 570 OE1 GLU A 37 -24.236 4.764 9.130 1.00 5.79 O ATOM 571 OE2 GLU A 37 -24.830 5.951 7.392 1.00 5.67 O ATOM 0 H GLU A 37 -21.122 9.546 8.866 1.00 2.52 H new ATOM 0 HA GLU A 37 -20.939 7.734 10.027 1.00 2.96 H new ATOM 0 HB2 GLU A 37 -21.582 6.388 7.378 1.00 3.77 H new ATOM 0 HB3 GLU A 37 -21.463 5.499 8.884 1.00 3.77 H new ATOM 0 HG2 GLU A 37 -23.211 7.037 9.860 1.00 4.29 H new ATOM 0 HG3 GLU A 37 -23.388 7.770 8.278 1.00 4.29 H new ATOM 578 N ALA A 38 -18.974 5.976 8.152 1.00 2.92 N ATOM 579 CA ALA A 38 -17.711 5.234 8.210 1.00 3.44 C ATOM 580 C ALA A 38 -16.493 6.137 8.377 1.00 3.42 C ATOM 581 O ALA A 38 -16.230 7.014 7.556 1.00 3.69 O ATOM 582 CB ALA A 38 -17.548 4.376 6.972 1.00 4.24 C ATOM 0 H ALA A 38 -19.593 5.689 7.393 1.00 2.92 H new ATOM 0 HA ALA A 38 -17.764 4.603 9.097 1.00 3.44 H new ATOM 0 HB1 ALA A 38 -16.606 3.831 7.029 1.00 4.24 H new ATOM 0 HB2 ALA A 38 -18.374 3.668 6.909 1.00 4.24 H new ATOM 0 HB3 ALA A 38 -17.547 5.012 6.086 1.00 4.24 H new ATOM 588 N GLY A 39 -15.756 5.904 9.457 1.00 3.60 N ATOM 589 CA GLY A 39 -14.546 6.655 9.716 1.00 3.96 C ATOM 590 C GLY A 39 -14.454 7.118 11.154 1.00 4.53 C ATOM 591 O GLY A 39 -13.946 8.200 11.437 1.00 4.95 O ATOM 0 H GLY A 39 -15.979 5.202 10.162 1.00 3.60 H new ATOM 0 HA2 GLY A 39 -13.680 6.037 9.480 1.00 3.96 H new ATOM 0 HA3 GLY A 39 -14.510 7.521 9.055 1.00 3.96 H new ATOM 595 N GLY A 40 -14.938 6.288 12.068 1.00 4.95 N ATOM 596 CA GLY A 40 -14.930 6.643 13.471 1.00 5.80 C ATOM 597 C GLY A 40 -14.949 5.425 14.367 1.00 6.36 C ATOM 598 O GLY A 40 -14.696 4.311 13.906 1.00 6.66 O ATOM 0 H GLY A 40 -15.337 5.372 11.861 1.00 4.95 H new ATOM 0 HA2 GLY A 40 -14.043 7.239 13.689 1.00 5.80 H new ATOM 0 HA3 GLY A 40 -15.796 7.268 13.691 1.00 5.80 H new ATOM 602 N ILE A 41 -15.257 5.632 15.642 1.00 6.77 N ATOM 603 CA ILE A 41 -15.297 4.539 16.606 1.00 7.49 C ATOM 604 C ILE A 41 -16.702 3.965 16.698 1.00 7.34 C ATOM 605 O ILE A 41 -16.930 2.792 16.403 1.00 7.90 O ATOM 606 CB ILE A 41 -14.832 4.998 18.009 1.00 8.32 C ATOM 607 CG1 ILE A 41 -13.393 5.521 17.952 1.00 8.45 C ATOM 608 CG2 ILE A 41 -14.949 3.858 19.016 1.00 9.17 C ATOM 609 CD1 ILE A 41 -12.384 4.495 17.482 1.00 9.07 C ATOM 0 H ILE A 41 -15.483 6.547 16.032 1.00 6.77 H new ATOM 0 HA ILE A 41 -14.611 3.769 16.254 1.00 7.49 H new ATOM 0 HB ILE A 41 -15.481 5.810 18.337 1.00 8.32 H new ATOM 0 HG12 ILE A 41 -13.357 6.383 17.286 1.00 8.45 H new ATOM 0 HG13 ILE A 41 -13.105 5.871 18.943 1.00 8.45 H new ATOM 0 HG21 ILE A 41 -14.617 4.202 19.995 1.00 9.17 H new ATOM 0 HG22 ILE A 41 -15.987 3.533 19.078 1.00 9.17 H new ATOM 0 HG23 ILE A 41 -14.326 3.023 18.695 1.00 9.17 H new ATOM 0 HD11 ILE A 41 -11.390 4.942 17.469 1.00 9.07 H new ATOM 0 HD12 ILE A 41 -12.390 3.642 18.160 1.00 9.07 H new ATOM 0 HD13 ILE A 41 -12.645 4.162 16.478 1.00 9.07 H new ATOM 621 N THR A 42 -17.646 4.803 17.091 1.00 6.77 N ATOM 622 CA THR A 42 -19.033 4.385 17.211 1.00 6.78 C ATOM 623 C THR A 42 -19.695 4.344 15.839 1.00 6.26 C ATOM 624 O THR A 42 -20.727 3.707 15.656 1.00 6.12 O ATOM 625 CB THR A 42 -19.822 5.331 18.131 1.00 6.87 C ATOM 626 OG1 THR A 42 -19.044 5.638 19.298 1.00 7.36 O ATOM 627 CG2 THR A 42 -21.142 4.702 18.555 1.00 7.24 C ATOM 0 H THR A 42 -17.477 5.779 17.333 1.00 6.77 H new ATOM 0 HA THR A 42 -19.041 3.387 17.649 1.00 6.78 H new ATOM 0 HB THR A 42 -20.033 6.246 17.577 1.00 6.87 H new ATOM 0 HG1 THR A 42 -19.551 6.242 19.879 1.00 7.36 H new ATOM 0 HG21 THR A 42 -21.681 5.391 19.205 1.00 7.24 H new ATOM 0 HG22 THR A 42 -21.744 4.490 17.672 1.00 7.24 H new ATOM 0 HG23 THR A 42 -20.947 3.774 19.092 1.00 7.24 H new ATOM 635 N GLN A 43 -19.094 5.035 14.877 1.00 6.30 N ATOM 636 CA GLN A 43 -19.584 5.012 13.504 1.00 6.20 C ATOM 637 C GLN A 43 -19.158 3.713 12.836 1.00 5.65 C ATOM 638 O GLN A 43 -18.119 3.647 12.175 1.00 6.00 O ATOM 639 CB GLN A 43 -19.054 6.212 12.718 1.00 7.05 C ATOM 640 CG GLN A 43 -19.503 7.558 13.268 1.00 7.68 C ATOM 641 CD GLN A 43 -21.011 7.731 13.252 1.00 8.40 C ATOM 642 OE1 GLN A 43 -21.584 8.217 12.278 1.00 8.83 O ATOM 643 NE2 GLN A 43 -21.660 7.340 14.337 1.00 8.79 N ATOM 0 H GLN A 43 -18.269 5.617 15.022 1.00 6.30 H new ATOM 0 HA GLN A 43 -20.672 5.072 13.517 1.00 6.20 H new ATOM 0 HB2 GLN A 43 -17.965 6.178 12.713 1.00 7.05 H new ATOM 0 HB3 GLN A 43 -19.380 6.127 11.681 1.00 7.05 H new ATOM 0 HG2 GLN A 43 -19.141 7.666 14.291 1.00 7.68 H new ATOM 0 HG3 GLN A 43 -19.045 8.355 12.682 1.00 7.68 H new ATOM 0 HE21 GLN A 43 -21.146 6.942 15.123 1.00 8.79 H new ATOM 0 HE22 GLN A 43 -22.674 7.437 14.387 1.00 8.79 H new ATOM 652 N HIS A 44 -19.964 2.681 13.020 1.00 5.11 N ATOM 653 CA HIS A 44 -19.631 1.355 12.525 1.00 4.88 C ATOM 654 C HIS A 44 -20.209 1.125 11.137 1.00 4.31 C ATOM 655 O HIS A 44 -21.423 1.169 10.944 1.00 4.61 O ATOM 656 CB HIS A 44 -20.086 0.258 13.506 1.00 5.23 C ATOM 657 CG HIS A 44 -21.462 0.444 14.075 1.00 5.70 C ATOM 658 ND1 HIS A 44 -21.867 1.092 15.190 1.00 6.04 N flip ATOM 659 CD2 HIS A 44 -22.602 -0.080 13.508 1.00 6.21 C flip ATOM 660 CE1 HIS A 44 -23.226 0.949 15.276 1.00 6.66 C flip ATOM 661 NE2 HIS A 44 -23.645 0.239 14.249 1.00 6.76 N flip ATOM 0 H HIS A 44 -20.857 2.736 13.510 1.00 5.11 H new ATOM 0 HA HIS A 44 -18.545 1.297 12.447 1.00 4.88 H new ATOM 0 HB2 HIS A 44 -20.048 -0.704 12.994 1.00 5.23 H new ATOM 0 HB3 HIS A 44 -19.373 0.210 14.329 1.00 5.23 H new ATOM 0 HD1 HIS A 44 -21.270 1.595 15.847 1.00 6.04 H new ATOM 0 HD2 HIS A 44 -22.637 -0.661 12.599 1.00 6.21 H new ATOM 0 HE1 HIS A 44 -23.852 1.352 16.058 1.00 6.66 H new ATOM 670 N ILE A 45 -19.297 0.892 10.188 1.00 3.86 N ATOM 671 CA ILE A 45 -19.594 0.705 8.757 1.00 3.48 C ATOM 672 C ILE A 45 -20.472 1.813 8.174 1.00 3.02 C ATOM 673 O ILE A 45 -20.775 2.810 8.828 1.00 3.28 O ATOM 674 CB ILE A 45 -20.207 -0.685 8.414 1.00 3.98 C ATOM 675 CG1 ILE A 45 -21.653 -0.825 8.908 1.00 4.52 C ATOM 676 CG2 ILE A 45 -19.343 -1.799 8.985 1.00 4.50 C ATOM 677 CD1 ILE A 45 -22.334 -2.100 8.452 1.00 5.19 C ATOM 0 H ILE A 45 -18.301 0.826 10.397 1.00 3.86 H new ATOM 0 HA ILE A 45 -18.613 0.758 8.284 1.00 3.48 H new ATOM 0 HB ILE A 45 -20.230 -0.767 7.327 1.00 3.98 H new ATOM 0 HG12 ILE A 45 -21.660 -0.790 9.997 1.00 4.52 H new ATOM 0 HG13 ILE A 45 -22.231 0.030 8.558 1.00 4.52 H new ATOM 0 HG21 ILE A 45 -19.784 -2.765 8.737 1.00 4.50 H new ATOM 0 HG22 ILE A 45 -18.342 -1.737 8.559 1.00 4.50 H new ATOM 0 HG23 ILE A 45 -19.284 -1.694 10.068 1.00 4.50 H new ATOM 0 HD11 ILE A 45 -23.352 -2.128 8.840 1.00 5.19 H new ATOM 0 HD12 ILE A 45 -22.360 -2.129 7.363 1.00 5.19 H new ATOM 0 HD13 ILE A 45 -21.780 -2.962 8.825 1.00 5.19 H new ATOM 689 N GLY A 46 -20.834 1.635 6.914 1.00 2.83 N ATOM 690 CA GLY A 46 -21.649 2.603 6.214 1.00 2.96 C ATOM 691 C GLY A 46 -20.968 3.068 4.948 1.00 2.37 C ATOM 692 O GLY A 46 -21.623 3.354 3.947 1.00 2.97 O ATOM 0 H GLY A 46 -20.572 0.822 6.356 1.00 2.83 H new ATOM 0 HA2 GLY A 46 -22.616 2.162 5.971 1.00 2.96 H new ATOM 0 HA3 GLY A 46 -21.843 3.458 6.862 1.00 2.96 H new ATOM 696 N ALA A 47 -19.633 3.104 5.006 1.00 1.69 N ATOM 697 CA ALA A 47 -18.791 3.581 3.909 1.00 1.33 C ATOM 698 C ALA A 47 -19.060 5.055 3.620 1.00 1.25 C ATOM 699 O ALA A 47 -19.876 5.689 4.293 1.00 1.45 O ATOM 700 CB ALA A 47 -18.984 2.741 2.656 1.00 1.71 C ATOM 0 H ALA A 47 -19.104 2.800 5.823 1.00 1.69 H new ATOM 0 HA ALA A 47 -17.752 3.477 4.221 1.00 1.33 H new ATOM 0 HB1 ALA A 47 -18.344 3.122 1.860 1.00 1.71 H new ATOM 0 HB2 ALA A 47 -18.721 1.705 2.868 1.00 1.71 H new ATOM 0 HB3 ALA A 47 -20.026 2.793 2.340 1.00 1.71 H new ATOM 706 N TYR A 48 -18.365 5.603 2.635 1.00 1.05 N ATOM 707 CA TYR A 48 -18.526 7.005 2.293 1.00 1.04 C ATOM 708 C TYR A 48 -18.046 7.277 0.878 1.00 0.91 C ATOM 709 O TYR A 48 -17.208 6.556 0.338 1.00 0.86 O ATOM 710 CB TYR A 48 -17.783 7.899 3.290 1.00 1.16 C ATOM 711 CG TYR A 48 -16.287 7.691 3.316 1.00 1.12 C ATOM 712 CD1 TYR A 48 -15.742 6.485 3.720 1.00 1.34 C ATOM 713 CD2 TYR A 48 -15.424 8.710 2.940 1.00 1.31 C ATOM 714 CE1 TYR A 48 -14.378 6.296 3.754 1.00 1.77 C ATOM 715 CE2 TYR A 48 -14.057 8.531 2.972 1.00 1.73 C ATOM 716 CZ TYR A 48 -13.537 7.322 3.380 1.00 1.96 C ATOM 717 OH TYR A 48 -12.174 7.135 3.415 1.00 2.54 O ATOM 0 H TYR A 48 -17.688 5.100 2.062 1.00 1.05 H new ATOM 0 HA TYR A 48 -19.589 7.241 2.346 1.00 1.04 H new ATOM 0 HB2 TYR A 48 -17.989 8.942 3.049 1.00 1.16 H new ATOM 0 HB3 TYR A 48 -18.181 7.718 4.289 1.00 1.16 H new ATOM 0 HD1 TYR A 48 -16.397 5.678 4.014 1.00 1.34 H new ATOM 0 HD2 TYR A 48 -15.829 9.658 2.617 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -13.969 5.348 4.072 1.00 1.77 H new ATOM 0 HE2 TYR A 48 -13.397 9.334 2.679 1.00 1.73 H new ATOM 0 HH TYR A 48 -11.804 7.259 2.516 1.00 2.54 H new ATOM 727 N GLN A 49 -18.598 8.315 0.276 1.00 1.01 N ATOM 728 CA GLN A 49 -18.193 8.736 -1.052 1.00 1.00 C ATOM 729 C GLN A 49 -17.587 10.126 -0.979 1.00 1.11 C ATOM 730 O GLN A 49 -18.093 10.993 -0.269 1.00 1.34 O ATOM 731 CB GLN A 49 -19.388 8.718 -2.009 1.00 1.16 C ATOM 732 CG GLN A 49 -19.935 7.322 -2.264 1.00 1.18 C ATOM 733 CD GLN A 49 -21.170 7.310 -3.147 1.00 1.42 C ATOM 734 OE1 GLN A 49 -21.282 8.279 -4.042 1.00 1.80 O flip ATOM 735 NE2 GLN A 49 -22.021 6.433 -3.023 1.00 1.96 N flip ATOM 0 H GLN A 49 -19.334 8.886 0.691 1.00 1.01 H new ATOM 0 HA GLN A 49 -17.445 8.041 -1.435 1.00 1.00 H new ATOM 0 HB2 GLN A 49 -20.182 9.342 -1.599 1.00 1.16 H new ATOM 0 HB3 GLN A 49 -19.091 9.163 -2.959 1.00 1.16 H new ATOM 0 HG2 GLN A 49 -19.159 6.715 -2.730 1.00 1.18 H new ATOM 0 HG3 GLN A 49 -20.175 6.854 -1.309 1.00 1.18 H new ATOM 0 HE21 GLN A 49 -21.901 5.702 -2.322 1.00 1.96 H new ATOM 0 HE22 GLN A 49 -22.847 6.436 -3.621 1.00 1.96 H new ATOM 744 N VAL A 50 -16.495 10.333 -1.688 1.00 1.04 N ATOM 745 CA VAL A 50 -15.824 11.608 -1.673 1.00 1.18 C ATOM 746 C VAL A 50 -16.072 12.375 -2.955 1.00 1.28 C ATOM 747 O VAL A 50 -15.907 11.854 -4.064 1.00 1.38 O ATOM 748 CB VAL A 50 -14.317 11.451 -1.447 1.00 1.24 C ATOM 749 CG1 VAL A 50 -14.038 11.151 0.013 1.00 1.93 C ATOM 750 CG2 VAL A 50 -13.746 10.371 -2.344 1.00 1.59 C ATOM 0 H VAL A 50 -16.056 9.629 -2.282 1.00 1.04 H new ATOM 0 HA VAL A 50 -16.240 12.173 -0.839 1.00 1.18 H new ATOM 0 HB VAL A 50 -13.826 12.389 -1.706 1.00 1.24 H new ATOM 0 HG11 VAL A 50 -12.964 11.041 0.163 1.00 1.93 H new ATOM 0 HG12 VAL A 50 -14.409 11.970 0.630 1.00 1.93 H new ATOM 0 HG13 VAL A 50 -14.540 10.226 0.297 1.00 1.93 H new ATOM 0 HG21 VAL A 50 -12.675 10.278 -2.165 1.00 1.59 H new ATOM 0 HG22 VAL A 50 -14.234 9.421 -2.126 1.00 1.59 H new ATOM 0 HG23 VAL A 50 -13.918 10.636 -3.387 1.00 1.59 H new ATOM 760 N THR A 51 -16.475 13.615 -2.794 1.00 1.42 N ATOM 761 CA THR A 51 -16.736 14.474 -3.926 1.00 1.57 C ATOM 762 C THR A 51 -15.548 15.393 -4.180 1.00 1.83 C ATOM 763 O THR A 51 -15.523 16.549 -3.762 1.00 2.06 O ATOM 764 CB THR A 51 -18.012 15.305 -3.722 1.00 1.67 C ATOM 765 OG1 THR A 51 -19.097 14.440 -3.358 1.00 1.94 O ATOM 766 CG2 THR A 51 -18.366 16.055 -4.996 1.00 1.88 C ATOM 0 H THR A 51 -16.630 14.052 -1.886 1.00 1.42 H new ATOM 0 HA THR A 51 -16.887 13.836 -4.797 1.00 1.57 H new ATOM 0 HB THR A 51 -17.836 16.028 -2.925 1.00 1.67 H new ATOM 0 HG1 THR A 51 -19.910 14.972 -3.227 1.00 1.94 H new ATOM 0 HG21 THR A 51 -19.272 16.639 -4.835 1.00 1.88 H new ATOM 0 HG22 THR A 51 -17.547 16.723 -5.265 1.00 1.88 H new ATOM 0 HG23 THR A 51 -18.533 15.342 -5.804 1.00 1.88 H new ATOM 774 N VAL A 52 -14.565 14.851 -4.872 1.00 2.18 N ATOM 775 CA VAL A 52 -13.395 15.603 -5.281 1.00 2.71 C ATOM 776 C VAL A 52 -13.265 15.477 -6.787 1.00 2.73 C ATOM 777 O VAL A 52 -13.298 14.361 -7.316 1.00 2.83 O ATOM 778 CB VAL A 52 -12.112 15.113 -4.564 1.00 3.49 C ATOM 779 CG1 VAL A 52 -11.918 13.611 -4.738 1.00 4.12 C ATOM 780 CG2 VAL A 52 -10.888 15.873 -5.054 1.00 3.97 C ATOM 0 H VAL A 52 -14.555 13.875 -5.167 1.00 2.18 H new ATOM 0 HA VAL A 52 -13.517 16.649 -4.999 1.00 2.71 H new ATOM 0 HB VAL A 52 -12.234 15.314 -3.500 1.00 3.49 H new ATOM 0 HG11 VAL A 52 -11.009 13.299 -4.223 1.00 4.12 H new ATOM 0 HG12 VAL A 52 -12.773 13.082 -4.317 1.00 4.12 H new ATOM 0 HG13 VAL A 52 -11.833 13.376 -5.799 1.00 4.12 H new ATOM 0 HG21 VAL A 52 -10.002 15.509 -4.534 1.00 3.97 H new ATOM 0 HG22 VAL A 52 -10.769 15.718 -6.126 1.00 3.97 H new ATOM 0 HG23 VAL A 52 -11.015 16.937 -4.853 1.00 3.97 H new ATOM 790 N ASN A 53 -13.231 16.626 -7.478 1.00 2.87 N ATOM 791 CA ASN A 53 -13.309 16.679 -8.949 1.00 2.97 C ATOM 792 C ASN A 53 -14.722 16.355 -9.406 1.00 2.55 C ATOM 793 O ASN A 53 -15.113 16.600 -10.548 1.00 2.91 O ATOM 794 CB ASN A 53 -12.345 15.699 -9.570 1.00 3.48 C ATOM 795 CG ASN A 53 -11.959 16.062 -10.992 1.00 3.97 C ATOM 796 OD1 ASN A 53 -12.611 15.648 -11.951 1.00 4.43 O ATOM 797 ND2 ASN A 53 -10.902 16.846 -11.137 1.00 4.21 N ATOM 0 H ASN A 53 -13.149 17.542 -7.037 1.00 2.87 H new ATOM 0 HA ASN A 53 -13.043 17.686 -9.269 1.00 2.97 H new ATOM 0 HB2 ASN A 53 -11.445 15.647 -8.958 1.00 3.48 H new ATOM 0 HB3 ASN A 53 -12.793 14.705 -9.564 1.00 3.48 H new ATOM 0 HD21 ASN A 53 -10.601 17.129 -12.070 1.00 4.21 H new ATOM 0 HD22 ASN A 53 -10.389 17.167 -10.316 1.00 4.21 H new ATOM 804 N ASP A 54 -15.450 15.772 -8.469 1.00 2.17 N ATOM 805 CA ASP A 54 -16.845 15.369 -8.627 1.00 2.21 C ATOM 806 C ASP A 54 -16.928 14.105 -9.465 1.00 2.44 C ATOM 807 O ASP A 54 -17.797 13.949 -10.324 1.00 3.17 O ATOM 808 CB ASP A 54 -17.691 16.486 -9.219 1.00 2.57 C ATOM 809 CG ASP A 54 -19.184 16.217 -9.125 1.00 3.06 C ATOM 810 OD1 ASP A 54 -19.570 15.257 -8.424 1.00 3.62 O ATOM 811 OD2 ASP A 54 -19.977 16.952 -9.758 1.00 3.37 O ATOM 0 H ASP A 54 -15.077 15.557 -7.544 1.00 2.17 H new ATOM 0 HA ASP A 54 -17.254 15.158 -7.639 1.00 2.21 H new ATOM 0 HB2 ASP A 54 -17.463 17.419 -8.703 1.00 2.57 H new ATOM 0 HB3 ASP A 54 -17.418 16.625 -10.265 1.00 2.57 H new ATOM 816 N LYS A 55 -15.997 13.195 -9.209 1.00 2.26 N ATOM 817 CA LYS A 55 -15.995 11.911 -9.890 1.00 2.71 C ATOM 818 C LYS A 55 -16.696 10.868 -9.023 1.00 2.17 C ATOM 819 O LYS A 55 -16.857 9.711 -9.410 1.00 2.81 O ATOM 820 CB LYS A 55 -14.564 11.478 -10.228 1.00 3.83 C ATOM 821 CG LYS A 55 -14.482 10.534 -11.420 1.00 4.80 C ATOM 822 CD LYS A 55 -15.103 11.160 -12.663 1.00 5.76 C ATOM 823 CE LYS A 55 -15.068 10.215 -13.854 1.00 6.66 C ATOM 824 NZ LYS A 55 -13.686 9.999 -14.355 1.00 7.44 N ATOM 0 H LYS A 55 -15.239 13.323 -8.539 1.00 2.26 H new ATOM 0 HA LYS A 55 -16.540 12.006 -10.829 1.00 2.71 H new ATOM 0 HB2 LYS A 55 -13.964 12.364 -10.434 1.00 3.83 H new ATOM 0 HB3 LYS A 55 -14.125 10.991 -9.357 1.00 3.83 H new ATOM 0 HG2 LYS A 55 -13.440 10.284 -11.618 1.00 4.80 H new ATOM 0 HG3 LYS A 55 -14.995 9.601 -11.185 1.00 4.80 H new ATOM 0 HD2 LYS A 55 -16.135 11.439 -12.451 1.00 5.76 H new ATOM 0 HD3 LYS A 55 -14.570 12.077 -12.912 1.00 5.76 H new ATOM 0 HE2 LYS A 55 -15.504 9.257 -13.569 1.00 6.66 H new ATOM 0 HE3 LYS A 55 -15.685 10.620 -14.656 1.00 6.66 H new ATOM 0 HZ1 LYS A 55 -13.723 9.551 -15.293 1.00 7.44 H new ATOM 0 HZ2 LYS A 55 -13.196 10.913 -14.427 1.00 7.44 H new ATOM 0 HZ3 LYS A 55 -13.171 9.381 -13.696 1.00 7.44 H new ATOM 838 N LYS A 56 -17.100 11.323 -7.829 1.00 1.66 N ATOM 839 CA LYS A 56 -17.944 10.556 -6.912 1.00 1.89 C ATOM 840 C LYS A 56 -17.292 9.242 -6.486 1.00 1.55 C ATOM 841 O LYS A 56 -17.910 8.179 -6.556 1.00 1.86 O ATOM 842 CB LYS A 56 -19.311 10.311 -7.554 1.00 2.73 C ATOM 843 CG LYS A 56 -20.038 11.600 -7.903 1.00 3.49 C ATOM 844 CD LYS A 56 -21.276 11.342 -8.743 1.00 4.29 C ATOM 845 CE LYS A 56 -21.953 12.640 -9.155 1.00 4.99 C ATOM 846 NZ LYS A 56 -21.034 13.543 -9.902 1.00 5.43 N ATOM 0 H LYS A 56 -16.846 12.244 -7.472 1.00 1.66 H new ATOM 0 HA LYS A 56 -18.074 11.144 -6.003 1.00 1.89 H new ATOM 0 HB2 LYS A 56 -19.181 9.716 -8.458 1.00 2.73 H new ATOM 0 HB3 LYS A 56 -19.927 9.725 -6.873 1.00 2.73 H new ATOM 0 HG2 LYS A 56 -20.323 12.116 -6.986 1.00 3.49 H new ATOM 0 HG3 LYS A 56 -19.363 12.262 -8.445 1.00 3.49 H new ATOM 0 HD2 LYS A 56 -21.001 10.776 -9.633 1.00 4.29 H new ATOM 0 HD3 LYS A 56 -21.978 10.728 -8.179 1.00 4.29 H new ATOM 0 HE2 LYS A 56 -22.821 12.414 -9.775 1.00 4.99 H new ATOM 0 HE3 LYS A 56 -22.321 13.153 -8.267 1.00 4.99 H new ATOM 0 HZ1 LYS A 56 -21.587 14.285 -10.377 1.00 5.43 H new ATOM 0 HZ2 LYS A 56 -20.364 13.982 -9.239 1.00 5.43 H new ATOM 0 HZ3 LYS A 56 -20.509 12.994 -10.612 1.00 5.43 H new ATOM 860 N ILE A 57 -16.053 9.334 -6.019 1.00 1.14 N ATOM 861 CA ILE A 57 -15.308 8.160 -5.572 1.00 0.88 C ATOM 862 C ILE A 57 -16.012 7.481 -4.401 1.00 0.85 C ATOM 863 O ILE A 57 -16.324 8.123 -3.399 1.00 0.97 O ATOM 864 CB ILE A 57 -13.878 8.528 -5.131 1.00 0.80 C ATOM 865 CG1 ILE A 57 -13.103 9.181 -6.277 1.00 0.86 C ATOM 866 CG2 ILE A 57 -13.141 7.294 -4.622 1.00 0.87 C ATOM 867 CD1 ILE A 57 -11.720 9.643 -5.873 1.00 0.86 C ATOM 0 H ILE A 57 -15.540 10.212 -5.939 1.00 1.14 H new ATOM 0 HA ILE A 57 -15.258 7.480 -6.423 1.00 0.88 H new ATOM 0 HB ILE A 57 -13.950 9.249 -4.317 1.00 0.80 H new ATOM 0 HG12 ILE A 57 -13.016 8.471 -7.099 1.00 0.86 H new ATOM 0 HG13 ILE A 57 -13.669 10.034 -6.651 1.00 0.86 H new ATOM 0 HG21 ILE A 57 -12.133 7.573 -4.315 1.00 0.87 H new ATOM 0 HG22 ILE A 57 -13.677 6.876 -3.770 1.00 0.87 H new ATOM 0 HG23 ILE A 57 -13.085 6.550 -5.417 1.00 0.87 H new ATOM 0 HD11 ILE A 57 -11.223 10.097 -6.730 1.00 0.86 H new ATOM 0 HD12 ILE A 57 -11.801 10.376 -5.071 1.00 0.86 H new ATOM 0 HD13 ILE A 57 -11.138 8.789 -5.526 1.00 0.86 H new ATOM 879 N THR A 58 -16.255 6.187 -4.531 1.00 0.80 N ATOM 880 CA THR A 58 -16.870 5.419 -3.463 1.00 0.80 C ATOM 881 C THR A 58 -15.802 4.659 -2.676 1.00 0.73 C ATOM 882 O THR A 58 -15.108 3.813 -3.234 1.00 0.85 O ATOM 883 CB THR A 58 -17.896 4.416 -4.029 1.00 0.88 C ATOM 884 OG1 THR A 58 -18.795 5.092 -4.918 1.00 1.11 O ATOM 885 CG2 THR A 58 -18.687 3.754 -2.909 1.00 1.28 C ATOM 0 H THR A 58 -16.035 5.646 -5.367 1.00 0.80 H new ATOM 0 HA THR A 58 -17.385 6.116 -2.801 1.00 0.80 H new ATOM 0 HB THR A 58 -17.354 3.642 -4.572 1.00 0.88 H new ATOM 0 HG1 THR A 58 -19.444 4.451 -5.277 1.00 1.11 H new ATOM 0 HG21 THR A 58 -19.403 3.052 -3.335 1.00 1.28 H new ATOM 0 HG22 THR A 58 -18.004 3.220 -2.248 1.00 1.28 H new ATOM 0 HG23 THR A 58 -19.220 4.516 -2.341 1.00 1.28 H new ATOM 893 N PHE A 59 -15.660 4.977 -1.395 1.00 0.65 N ATOM 894 CA PHE A 59 -14.692 4.293 -0.548 1.00 0.64 C ATOM 895 C PHE A 59 -15.356 3.172 0.232 1.00 0.73 C ATOM 896 O PHE A 59 -16.156 3.423 1.139 1.00 0.83 O ATOM 897 CB PHE A 59 -14.012 5.266 0.417 1.00 0.64 C ATOM 898 CG PHE A 59 -12.859 6.012 -0.186 1.00 0.60 C ATOM 899 CD1 PHE A 59 -11.614 5.413 -0.300 1.00 0.75 C ATOM 900 CD2 PHE A 59 -13.015 7.313 -0.635 1.00 0.80 C ATOM 901 CE1 PHE A 59 -10.550 6.094 -0.856 1.00 0.79 C ATOM 902 CE2 PHE A 59 -11.953 7.998 -1.189 1.00 0.84 C ATOM 903 CZ PHE A 59 -10.720 7.388 -1.302 1.00 0.70 C ATOM 0 H PHE A 59 -16.201 5.701 -0.922 1.00 0.65 H new ATOM 0 HA PHE A 59 -13.930 3.867 -1.201 1.00 0.64 H new ATOM 0 HB2 PHE A 59 -14.750 5.984 0.774 1.00 0.64 H new ATOM 0 HB3 PHE A 59 -13.659 4.713 1.287 1.00 0.64 H new ATOM 0 HD1 PHE A 59 -11.475 4.401 0.051 1.00 0.75 H new ATOM 0 HD2 PHE A 59 -13.977 7.796 -0.551 1.00 0.80 H new ATOM 0 HE1 PHE A 59 -9.586 5.614 -0.942 1.00 0.79 H new ATOM 0 HE2 PHE A 59 -12.087 9.012 -1.535 1.00 0.84 H new ATOM 0 HZ PHE A 59 -9.890 7.923 -1.739 1.00 0.70 H new ATOM 913 N LEU A 60 -15.022 1.939 -0.146 1.00 0.85 N ATOM 914 CA LEU A 60 -15.517 0.734 0.523 1.00 1.00 C ATOM 915 C LEU A 60 -17.017 0.533 0.314 1.00 1.96 C ATOM 916 O LEU A 60 -17.713 1.382 -0.248 1.00 2.78 O ATOM 917 CB LEU A 60 -15.199 0.748 2.032 1.00 1.51 C ATOM 918 CG LEU A 60 -13.750 0.430 2.424 1.00 2.10 C ATOM 919 CD1 LEU A 60 -13.317 -0.905 1.838 1.00 2.68 C ATOM 920 CD2 LEU A 60 -12.809 1.543 1.994 1.00 3.00 C ATOM 0 H LEU A 60 -14.397 1.746 -0.929 1.00 0.85 H new ATOM 0 HA LEU A 60 -14.993 -0.104 0.063 1.00 1.00 H new ATOM 0 HB2 LEU A 60 -15.452 1.732 2.426 1.00 1.51 H new ATOM 0 HB3 LEU A 60 -15.853 0.029 2.526 1.00 1.51 H new ATOM 0 HG LEU A 60 -13.702 0.357 3.511 1.00 2.10 H new ATOM 0 HD11 LEU A 60 -12.287 -1.112 2.127 1.00 2.68 H new ATOM 0 HD12 LEU A 60 -13.966 -1.695 2.215 1.00 2.68 H new ATOM 0 HD13 LEU A 60 -13.388 -0.865 0.751 1.00 2.68 H new ATOM 0 HD21 LEU A 60 -11.789 1.290 2.285 1.00 3.00 H new ATOM 0 HD22 LEU A 60 -12.858 1.663 0.912 1.00 3.00 H new ATOM 0 HD23 LEU A 60 -13.103 2.475 2.476 1.00 3.00 H new ATOM 932 N ASP A 61 -17.494 -0.618 0.771 1.00 2.55 N ATOM 933 CA ASP A 61 -18.901 -0.979 0.685 1.00 3.74 C ATOM 934 C ASP A 61 -19.115 -2.221 1.546 1.00 3.82 C ATOM 935 O ASP A 61 -18.295 -2.511 2.419 1.00 3.97 O ATOM 936 CB ASP A 61 -19.302 -1.251 -0.775 1.00 4.77 C ATOM 937 CG ASP A 61 -20.790 -1.072 -1.027 1.00 5.89 C ATOM 938 OD1 ASP A 61 -21.573 -2.000 -0.715 1.00 6.37 O ATOM 939 OD2 ASP A 61 -21.188 -0.006 -1.545 1.00 6.48 O ATOM 0 H ASP A 61 -16.912 -1.330 1.213 1.00 2.55 H new ATOM 0 HA ASP A 61 -19.525 -0.161 1.044 1.00 3.74 H new ATOM 0 HB2 ASP A 61 -18.745 -0.580 -1.430 1.00 4.77 H new ATOM 0 HB3 ASP A 61 -19.014 -2.268 -1.041 1.00 4.77 H new ATOM 944 N THR A 62 -20.191 -2.949 1.310 1.00 4.12 N ATOM 945 CA THR A 62 -20.463 -4.172 2.052 1.00 4.33 C ATOM 946 C THR A 62 -19.443 -5.275 1.716 1.00 4.42 C ATOM 947 O THR A 62 -18.815 -5.836 2.619 1.00 4.82 O ATOM 948 CB THR A 62 -21.886 -4.696 1.777 1.00 5.07 C ATOM 949 OG1 THR A 62 -22.839 -3.636 1.946 1.00 5.52 O ATOM 950 CG2 THR A 62 -22.224 -5.851 2.713 1.00 5.57 C ATOM 0 H THR A 62 -20.894 -2.716 0.609 1.00 4.12 H new ATOM 0 HA THR A 62 -20.377 -3.919 3.109 1.00 4.33 H new ATOM 0 HB THR A 62 -21.929 -5.058 0.750 1.00 5.07 H new ATOM 0 HG1 THR A 62 -23.741 -3.976 1.768 1.00 5.52 H new ATOM 0 HG21 THR A 62 -23.233 -6.207 2.503 1.00 5.57 H new ATOM 0 HG22 THR A 62 -21.514 -6.663 2.560 1.00 5.57 H new ATOM 0 HG23 THR A 62 -22.168 -5.510 3.747 1.00 5.57 H new ATOM 958 N PRO A 63 -19.255 -5.606 0.417 1.00 4.51 N ATOM 959 CA PRO A 63 -18.331 -6.673 -0.004 1.00 5.03 C ATOM 960 C PRO A 63 -16.856 -6.270 0.098 1.00 5.20 C ATOM 961 O PRO A 63 -16.107 -6.349 -0.875 1.00 5.77 O ATOM 962 CB PRO A 63 -18.722 -6.908 -1.462 1.00 5.50 C ATOM 963 CG PRO A 63 -19.228 -5.591 -1.925 1.00 5.27 C ATOM 964 CD PRO A 63 -19.931 -4.991 -0.746 1.00 4.66 C ATOM 0 HA PRO A 63 -18.415 -7.554 0.632 1.00 5.03 H new ATOM 0 HB2 PRO A 63 -17.868 -7.236 -2.055 1.00 5.50 H new ATOM 0 HB3 PRO A 63 -19.486 -7.680 -1.549 1.00 5.50 H new ATOM 0 HG2 PRO A 63 -18.410 -4.953 -2.260 1.00 5.27 H new ATOM 0 HG3 PRO A 63 -19.908 -5.707 -2.769 1.00 5.27 H new ATOM 0 HD2 PRO A 63 -19.838 -3.905 -0.735 1.00 4.66 H new ATOM 0 HD3 PRO A 63 -20.997 -5.220 -0.757 1.00 4.66 H new ATOM 972 N GLY A 64 -16.441 -5.850 1.281 1.00 5.00 N ATOM 973 CA GLY A 64 -15.065 -5.449 1.483 1.00 5.40 C ATOM 974 C GLY A 64 -14.170 -6.620 1.845 1.00 5.25 C ATOM 975 O GLY A 64 -14.620 -7.767 1.888 1.00 5.54 O ATOM 0 H GLY A 64 -17.034 -5.779 2.108 1.00 5.00 H new ATOM 0 HA2 GLY A 64 -14.690 -4.975 0.576 1.00 5.40 H new ATOM 0 HA3 GLY A 64 -15.019 -4.702 2.275 1.00 5.40 H new ATOM 979 N HIS A 65 -12.895 -6.320 2.101 1.00 5.14 N ATOM 980 CA HIS A 65 -11.896 -7.322 2.493 1.00 5.24 C ATOM 981 C HIS A 65 -11.552 -8.274 1.349 1.00 4.67 C ATOM 982 O HIS A 65 -10.476 -8.175 0.764 1.00 4.91 O ATOM 983 CB HIS A 65 -12.341 -8.129 3.725 1.00 5.90 C ATOM 984 CG HIS A 65 -12.293 -7.364 5.015 1.00 6.66 C ATOM 985 ND1 HIS A 65 -11.135 -7.197 5.745 1.00 7.35 N ATOM 986 CD2 HIS A 65 -13.266 -6.726 5.711 1.00 7.14 C ATOM 987 CE1 HIS A 65 -11.399 -6.497 6.833 1.00 8.09 C ATOM 988 NE2 HIS A 65 -12.680 -6.196 6.835 1.00 7.99 N ATOM 0 H HIS A 65 -12.523 -5.372 2.043 1.00 5.14 H new ATOM 0 HA HIS A 65 -10.998 -6.761 2.752 1.00 5.24 H new ATOM 0 HB2 HIS A 65 -13.359 -8.483 3.564 1.00 5.90 H new ATOM 0 HB3 HIS A 65 -11.707 -9.011 3.815 1.00 5.90 H new ATOM 0 HD2 HIS A 65 -14.307 -6.649 5.434 1.00 7.14 H new ATOM 0 HE1 HIS A 65 -10.684 -6.218 7.593 1.00 8.09 H new ATOM 0 HE2 HIS A 65 -13.160 -5.656 7.555 1.00 7.99 H new ATOM 997 N GLU A 66 -12.466 -9.178 1.021 1.00 4.31 N ATOM 998 CA GLU A 66 -12.163 -10.255 0.085 1.00 4.06 C ATOM 999 C GLU A 66 -13.104 -10.262 -1.122 1.00 3.33 C ATOM 1000 O GLU A 66 -12.741 -10.750 -2.192 1.00 3.69 O ATOM 1001 CB GLU A 66 -12.251 -11.600 0.811 1.00 4.70 C ATOM 1002 CG GLU A 66 -13.630 -11.889 1.379 1.00 5.39 C ATOM 1003 CD GLU A 66 -13.671 -13.159 2.199 1.00 5.92 C ATOM 1004 OE1 GLU A 66 -13.714 -14.253 1.599 1.00 6.21 O ATOM 1005 OE2 GLU A 66 -13.657 -13.072 3.442 1.00 6.36 O ATOM 0 H GLU A 66 -13.418 -9.188 1.386 1.00 4.31 H new ATOM 0 HA GLU A 66 -11.153 -10.089 -0.290 1.00 4.06 H new ATOM 0 HB2 GLU A 66 -11.977 -12.397 0.119 1.00 4.70 H new ATOM 0 HB3 GLU A 66 -11.522 -11.616 1.621 1.00 4.70 H new ATOM 0 HG2 GLU A 66 -13.945 -11.051 2.000 1.00 5.39 H new ATOM 0 HG3 GLU A 66 -14.346 -11.967 0.561 1.00 5.39 H new ATOM 1012 N ALA A 67 -14.298 -9.699 -0.964 1.00 2.88 N ATOM 1013 CA ALA A 67 -15.336 -9.821 -1.986 1.00 2.74 C ATOM 1014 C ALA A 67 -15.140 -8.836 -3.137 1.00 2.07 C ATOM 1015 O ALA A 67 -15.968 -8.763 -4.043 1.00 2.63 O ATOM 1016 CB ALA A 67 -16.711 -9.661 -1.360 1.00 3.51 C ATOM 0 H ALA A 67 -14.571 -9.157 -0.144 1.00 2.88 H new ATOM 0 HA ALA A 67 -15.256 -10.820 -2.415 1.00 2.74 H new ATOM 0 HB1 ALA A 67 -17.475 -9.754 -2.132 1.00 3.51 H new ATOM 0 HB2 ALA A 67 -16.860 -10.435 -0.607 1.00 3.51 H new ATOM 0 HB3 ALA A 67 -16.786 -8.679 -0.892 1.00 3.51 H new ATOM 1022 N PHE A 68 -14.032 -8.099 -3.098 1.00 1.52 N ATOM 1023 CA PHE A 68 -13.662 -7.167 -4.163 1.00 1.22 C ATOM 1024 C PHE A 68 -14.652 -5.996 -4.242 1.00 1.89 C ATOM 1025 O PHE A 68 -14.514 -5.021 -3.503 1.00 2.61 O ATOM 1026 CB PHE A 68 -13.560 -7.907 -5.510 1.00 1.13 C ATOM 1027 CG PHE A 68 -12.800 -7.161 -6.572 1.00 0.93 C ATOM 1028 CD1 PHE A 68 -11.432 -7.322 -6.703 1.00 0.87 C ATOM 1029 CD2 PHE A 68 -13.454 -6.308 -7.440 1.00 1.43 C ATOM 1030 CE1 PHE A 68 -10.735 -6.640 -7.679 1.00 1.14 C ATOM 1031 CE2 PHE A 68 -12.761 -5.621 -8.417 1.00 1.62 C ATOM 1032 CZ PHE A 68 -11.399 -5.789 -8.537 1.00 1.40 C ATOM 0 H PHE A 68 -13.365 -8.131 -2.327 1.00 1.52 H new ATOM 0 HA PHE A 68 -12.683 -6.749 -3.930 1.00 1.22 H new ATOM 0 HB2 PHE A 68 -13.079 -8.871 -5.346 1.00 1.13 H new ATOM 0 HB3 PHE A 68 -14.566 -8.111 -5.876 1.00 1.13 H new ATOM 0 HD1 PHE A 68 -10.905 -7.988 -6.035 1.00 0.87 H new ATOM 0 HD2 PHE A 68 -14.522 -6.177 -7.353 1.00 1.43 H new ATOM 0 HE1 PHE A 68 -9.667 -6.773 -7.771 1.00 1.14 H new ATOM 0 HE2 PHE A 68 -13.285 -4.954 -9.085 1.00 1.62 H new ATOM 0 HZ PHE A 68 -10.853 -5.256 -9.301 1.00 1.40 H new ATOM 1042 N THR A 69 -15.650 -6.101 -5.123 1.00 2.35 N ATOM 1043 CA THR A 69 -16.641 -5.040 -5.295 1.00 3.23 C ATOM 1044 C THR A 69 -18.014 -5.615 -5.663 1.00 3.47 C ATOM 1045 O THR A 69 -18.726 -6.148 -4.816 1.00 3.95 O ATOM 1046 CB THR A 69 -16.218 -4.005 -6.373 1.00 4.06 C ATOM 1047 OG1 THR A 69 -15.919 -4.665 -7.614 1.00 4.44 O ATOM 1048 CG2 THR A 69 -15.009 -3.198 -5.927 1.00 4.74 C ATOM 0 H THR A 69 -15.792 -6.910 -5.727 1.00 2.35 H new ATOM 0 HA THR A 69 -16.705 -4.529 -4.334 1.00 3.23 H new ATOM 0 HB THR A 69 -17.056 -3.323 -6.515 1.00 4.06 H new ATOM 0 HG1 THR A 69 -15.386 -4.069 -8.181 1.00 4.44 H new ATOM 0 HG21 THR A 69 -14.741 -2.484 -6.706 1.00 4.74 H new ATOM 0 HG22 THR A 69 -15.248 -2.661 -5.009 1.00 4.74 H new ATOM 0 HG23 THR A 69 -14.170 -3.870 -5.746 1.00 4.74 H new ATOM 1056 N THR A 70 -18.366 -5.531 -6.938 1.00 3.68 N ATOM 1057 CA THR A 70 -19.665 -5.976 -7.407 1.00 4.33 C ATOM 1058 C THR A 70 -19.691 -7.493 -7.574 1.00 4.42 C ATOM 1059 O THR A 70 -19.100 -8.030 -8.505 1.00 5.01 O ATOM 1060 CB THR A 70 -20.022 -5.303 -8.749 1.00 5.25 C ATOM 1061 OG1 THR A 70 -19.952 -3.878 -8.617 1.00 5.60 O ATOM 1062 CG2 THR A 70 -21.418 -5.700 -9.207 1.00 5.89 C ATOM 0 H THR A 70 -17.763 -5.155 -7.669 1.00 3.68 H new ATOM 0 HA THR A 70 -20.403 -5.689 -6.658 1.00 4.33 H new ATOM 0 HB THR A 70 -19.302 -5.639 -9.495 1.00 5.25 H new ATOM 0 HG1 THR A 70 -20.178 -3.459 -9.473 1.00 5.60 H new ATOM 0 HG21 THR A 70 -21.643 -5.211 -10.155 1.00 5.89 H new ATOM 0 HG22 THR A 70 -21.465 -6.781 -9.336 1.00 5.89 H new ATOM 0 HG23 THR A 70 -22.148 -5.392 -8.458 1.00 5.89 H new ATOM 1070 N MET A 71 -20.360 -8.182 -6.656 1.00 4.24 N ATOM 1071 CA MET A 71 -20.511 -9.629 -6.757 1.00 4.73 C ATOM 1072 C MET A 71 -21.977 -10.011 -6.925 1.00 5.29 C ATOM 1073 O MET A 71 -22.361 -11.171 -6.761 1.00 5.64 O ATOM 1074 CB MET A 71 -19.906 -10.329 -5.541 1.00 4.83 C ATOM 1075 CG MET A 71 -18.389 -10.262 -5.508 1.00 4.67 C ATOM 1076 SD MET A 71 -17.638 -10.900 -7.023 1.00 4.68 S ATOM 1077 CE MET A 71 -15.898 -10.645 -6.680 1.00 4.52 C ATOM 0 H MET A 71 -20.804 -7.765 -5.838 1.00 4.24 H new ATOM 0 HA MET A 71 -19.969 -9.961 -7.642 1.00 4.73 H new ATOM 0 HB2 MET A 71 -20.304 -9.875 -4.633 1.00 4.83 H new ATOM 0 HB3 MET A 71 -20.218 -11.373 -5.538 1.00 4.83 H new ATOM 0 HG2 MET A 71 -18.077 -9.228 -5.358 1.00 4.67 H new ATOM 0 HG3 MET A 71 -18.021 -10.833 -4.655 1.00 4.67 H new ATOM 0 HE1 MET A 71 -15.313 -11.427 -7.164 1.00 4.52 H new ATOM 0 HE2 MET A 71 -15.590 -9.672 -7.063 1.00 4.52 H new ATOM 0 HE3 MET A 71 -15.730 -10.681 -5.604 1.00 4.52 H new ATOM 1087 N ARG A 72 -22.788 -9.018 -7.250 1.00 5.68 N ATOM 1088 CA ARG A 72 -24.190 -9.233 -7.568 1.00 6.44 C ATOM 1089 C ARG A 72 -24.552 -8.389 -8.780 1.00 6.64 C ATOM 1090 O ARG A 72 -24.415 -7.165 -8.745 1.00 7.15 O ATOM 1091 CB ARG A 72 -25.075 -8.876 -6.372 1.00 7.03 C ATOM 1092 CG ARG A 72 -26.554 -9.134 -6.604 1.00 7.56 C ATOM 1093 CD ARG A 72 -27.367 -8.913 -5.339 1.00 8.19 C ATOM 1094 NE ARG A 72 -27.235 -7.549 -4.831 1.00 8.54 N ATOM 1095 CZ ARG A 72 -28.017 -7.025 -3.888 1.00 9.20 C ATOM 1096 NH1 ARG A 72 -28.980 -7.750 -3.336 1.00 9.56 N ATOM 1097 NH2 ARG A 72 -27.825 -5.773 -3.498 1.00 9.71 N ATOM 0 H ARG A 72 -22.494 -8.043 -7.301 1.00 5.68 H new ATOM 0 HA ARG A 72 -24.356 -10.286 -7.797 1.00 6.44 H new ATOM 0 HB2 ARG A 72 -24.747 -9.450 -5.505 1.00 7.03 H new ATOM 0 HB3 ARG A 72 -24.933 -7.823 -6.129 1.00 7.03 H new ATOM 0 HG2 ARG A 72 -26.919 -8.475 -7.392 1.00 7.56 H new ATOM 0 HG3 ARG A 72 -26.695 -10.157 -6.953 1.00 7.56 H new ATOM 0 HD2 ARG A 72 -28.417 -9.123 -5.542 1.00 8.19 H new ATOM 0 HD3 ARG A 72 -27.043 -9.617 -4.573 1.00 8.19 H new ATOM 0 HE ARG A 72 -26.499 -6.962 -5.223 1.00 8.54 H new ATOM 0 HH11 ARG A 72 -29.126 -8.715 -3.633 1.00 9.56 H new ATOM 0 HH12 ARG A 72 -29.575 -7.343 -2.615 1.00 9.56 H new ATOM 0 HH21 ARG A 72 -27.082 -5.216 -3.919 1.00 9.71 H new ATOM 0 HH22 ARG A 72 -28.421 -5.367 -2.777 1.00 9.71 H new ATOM 1111 N ALA A 73 -25.000 -9.050 -9.847 1.00 6.52 N ATOM 1112 CA ALA A 73 -25.197 -8.402 -11.144 1.00 6.92 C ATOM 1113 C ALA A 73 -23.874 -7.806 -11.614 1.00 6.65 C ATOM 1114 O ALA A 73 -23.751 -6.600 -11.826 1.00 6.71 O ATOM 1115 CB ALA A 73 -26.290 -7.339 -11.074 1.00 7.52 C ATOM 0 H ALA A 73 -25.235 -10.042 -9.838 1.00 6.52 H new ATOM 0 HA ALA A 73 -25.528 -9.148 -11.867 1.00 6.92 H new ATOM 0 HB1 ALA A 73 -26.411 -6.877 -12.054 1.00 7.52 H new ATOM 0 HB2 ALA A 73 -27.229 -7.802 -10.773 1.00 7.52 H new ATOM 0 HB3 ALA A 73 -26.011 -6.578 -10.346 1.00 7.52 H new ATOM 1121 N ARG A 74 -22.880 -8.675 -11.768 1.00 6.69 N ATOM 1122 CA ARG A 74 -21.516 -8.252 -12.049 1.00 6.76 C ATOM 1123 C ARG A 74 -21.220 -8.293 -13.541 1.00 6.62 C ATOM 1124 O ARG A 74 -21.421 -9.317 -14.193 1.00 6.89 O ATOM 1125 CB ARG A 74 -20.525 -9.159 -11.313 1.00 7.36 C ATOM 1126 CG ARG A 74 -19.073 -8.738 -11.481 1.00 7.67 C ATOM 1127 CD ARG A 74 -18.124 -9.739 -10.841 1.00 8.48 C ATOM 1128 NE ARG A 74 -18.072 -10.999 -11.584 1.00 8.99 N ATOM 1129 CZ ARG A 74 -17.636 -12.152 -11.075 1.00 9.80 C ATOM 1130 NH1 ARG A 74 -17.280 -12.228 -9.799 1.00 10.19 N ATOM 1131 NH2 ARG A 74 -17.577 -13.229 -11.847 1.00 10.42 N ATOM 0 H ARG A 74 -22.998 -9.686 -11.702 1.00 6.69 H new ATOM 0 HA ARG A 74 -21.408 -7.224 -11.702 1.00 6.76 H new ATOM 0 HB2 ARG A 74 -20.772 -9.167 -10.251 1.00 7.36 H new ATOM 0 HB3 ARG A 74 -20.643 -10.180 -11.675 1.00 7.36 H new ATOM 0 HG2 ARG A 74 -18.841 -8.643 -12.542 1.00 7.67 H new ATOM 0 HG3 ARG A 74 -18.924 -7.756 -11.033 1.00 7.67 H new ATOM 0 HD2 ARG A 74 -17.124 -9.308 -10.788 1.00 8.48 H new ATOM 0 HD3 ARG A 74 -18.441 -9.935 -9.817 1.00 8.48 H new ATOM 0 HE ARG A 74 -18.390 -10.995 -12.553 1.00 8.99 H new ATOM 0 HH11 ARG A 74 -17.339 -11.402 -9.203 1.00 10.19 H new ATOM 0 HH12 ARG A 74 -16.947 -13.112 -9.414 1.00 10.19 H new ATOM 0 HH21 ARG A 74 -17.864 -13.172 -12.824 1.00 10.42 H new ATOM 0 HH22 ARG A 74 -17.244 -14.114 -11.464 1.00 10.42 H new ATOM 1145 N GLY A 75 -20.742 -7.176 -14.071 1.00 6.47 N ATOM 1146 CA GLY A 75 -20.296 -7.143 -15.448 1.00 6.51 C ATOM 1147 C GLY A 75 -19.062 -7.996 -15.661 1.00 6.34 C ATOM 1148 O GLY A 75 -18.299 -8.241 -14.724 1.00 6.75 O ATOM 0 H GLY A 75 -20.655 -6.291 -13.571 1.00 6.47 H new ATOM 0 HA2 GLY A 75 -21.097 -7.494 -16.098 1.00 6.51 H new ATOM 0 HA3 GLY A 75 -20.080 -6.114 -15.736 1.00 6.51 H new ATOM 1152 N ALA A 76 -18.873 -8.468 -16.882 1.00 6.08 N ATOM 1153 CA ALA A 76 -17.725 -9.304 -17.211 1.00 6.24 C ATOM 1154 C ALA A 76 -16.424 -8.508 -17.134 1.00 5.83 C ATOM 1155 O ALA A 76 -15.400 -9.012 -16.663 1.00 6.16 O ATOM 1156 CB ALA A 76 -17.895 -9.919 -18.594 1.00 6.69 C ATOM 0 H ALA A 76 -19.500 -8.287 -17.666 1.00 6.08 H new ATOM 0 HA ALA A 76 -17.670 -10.107 -16.476 1.00 6.24 H new ATOM 0 HB1 ALA A 76 -17.030 -10.540 -18.825 1.00 6.69 H new ATOM 0 HB2 ALA A 76 -18.796 -10.531 -18.612 1.00 6.69 H new ATOM 0 HB3 ALA A 76 -17.981 -9.126 -19.337 1.00 6.69 H new ATOM 1162 N GLN A 77 -16.466 -7.262 -17.581 1.00 5.40 N ATOM 1163 CA GLN A 77 -15.278 -6.429 -17.592 1.00 5.18 C ATOM 1164 C GLN A 77 -15.383 -5.351 -16.523 1.00 4.21 C ATOM 1165 O GLN A 77 -15.798 -4.223 -16.796 1.00 4.21 O ATOM 1166 CB GLN A 77 -15.077 -5.792 -18.973 1.00 5.87 C ATOM 1167 CG GLN A 77 -13.614 -5.594 -19.362 1.00 6.56 C ATOM 1168 CD GLN A 77 -12.831 -4.747 -18.372 1.00 7.26 C ATOM 1169 OE1 GLN A 77 -12.777 -3.521 -18.485 1.00 7.65 O ATOM 1170 NE2 GLN A 77 -12.204 -5.402 -17.406 1.00 7.72 N ATOM 0 H GLN A 77 -17.307 -6.809 -17.939 1.00 5.40 H new ATOM 0 HA GLN A 77 -14.414 -7.057 -17.375 1.00 5.18 H new ATOM 0 HB2 GLN A 77 -15.560 -6.418 -19.724 1.00 5.87 H new ATOM 0 HB3 GLN A 77 -15.581 -4.826 -18.992 1.00 5.87 H new ATOM 0 HG2 GLN A 77 -13.135 -6.569 -19.452 1.00 6.56 H new ATOM 0 HG3 GLN A 77 -13.568 -5.125 -20.345 1.00 6.56 H new ATOM 0 HE21 GLN A 77 -12.275 -6.418 -17.349 1.00 7.72 H new ATOM 0 HE22 GLN A 77 -11.650 -4.890 -16.719 1.00 7.72 H new ATOM 1179 N VAL A 78 -15.024 -5.710 -15.300 1.00 3.82 N ATOM 1180 CA VAL A 78 -14.973 -4.747 -14.214 1.00 3.25 C ATOM 1181 C VAL A 78 -13.584 -4.121 -14.138 1.00 3.06 C ATOM 1182 O VAL A 78 -12.599 -4.730 -14.557 1.00 3.67 O ATOM 1183 CB VAL A 78 -15.328 -5.387 -12.853 1.00 3.79 C ATOM 1184 CG1 VAL A 78 -16.784 -5.832 -12.834 1.00 4.27 C ATOM 1185 CG2 VAL A 78 -14.403 -6.557 -12.545 1.00 4.38 C ATOM 0 H VAL A 78 -14.764 -6.660 -15.036 1.00 3.82 H new ATOM 0 HA VAL A 78 -15.717 -3.979 -14.425 1.00 3.25 H new ATOM 0 HB VAL A 78 -15.189 -4.634 -12.077 1.00 3.79 H new ATOM 0 HG11 VAL A 78 -17.015 -6.280 -11.868 1.00 4.27 H new ATOM 0 HG12 VAL A 78 -17.430 -4.970 -12.998 1.00 4.27 H new ATOM 0 HG13 VAL A 78 -16.951 -6.565 -13.623 1.00 4.27 H new ATOM 0 HG21 VAL A 78 -14.673 -6.991 -11.582 1.00 4.38 H new ATOM 0 HG22 VAL A 78 -14.501 -7.313 -13.324 1.00 4.38 H new ATOM 0 HG23 VAL A 78 -13.372 -6.206 -12.508 1.00 4.38 H new ATOM 1195 N THR A 79 -13.511 -2.907 -13.625 1.00 2.63 N ATOM 1196 CA THR A 79 -12.247 -2.201 -13.532 1.00 2.70 C ATOM 1197 C THR A 79 -12.290 -1.190 -12.387 1.00 1.92 C ATOM 1198 O THR A 79 -12.110 0.014 -12.576 1.00 2.39 O ATOM 1199 CB THR A 79 -11.889 -1.517 -14.879 1.00 3.62 C ATOM 1200 OG1 THR A 79 -10.672 -0.771 -14.758 1.00 4.18 O ATOM 1201 CG2 THR A 79 -13.012 -0.605 -15.363 1.00 4.13 C ATOM 0 H THR A 79 -14.313 -2.389 -13.266 1.00 2.63 H new ATOM 0 HA THR A 79 -11.461 -2.925 -13.318 1.00 2.70 H new ATOM 0 HB THR A 79 -11.753 -2.306 -15.618 1.00 3.62 H new ATOM 0 HG1 THR A 79 -10.763 -0.110 -14.040 1.00 4.18 H new ATOM 0 HG21 THR A 79 -12.725 -0.144 -16.308 1.00 4.13 H new ATOM 0 HG22 THR A 79 -13.920 -1.191 -15.506 1.00 4.13 H new ATOM 0 HG23 THR A 79 -13.195 0.172 -14.621 1.00 4.13 H new ATOM 1209 N ASP A 80 -12.541 -1.705 -11.190 1.00 1.32 N ATOM 1210 CA ASP A 80 -12.624 -0.876 -9.996 1.00 1.15 C ATOM 1211 C ASP A 80 -11.234 -0.487 -9.507 1.00 0.93 C ATOM 1212 O ASP A 80 -10.228 -0.770 -10.160 1.00 1.30 O ATOM 1213 CB ASP A 80 -13.378 -1.616 -8.890 1.00 1.82 C ATOM 1214 CG ASP A 80 -14.825 -1.883 -9.244 1.00 2.56 C ATOM 1215 OD1 ASP A 80 -15.648 -0.946 -9.156 1.00 3.06 O ATOM 1216 OD2 ASP A 80 -15.148 -3.037 -9.603 1.00 3.12 O ATOM 0 H ASP A 80 -12.691 -2.700 -11.021 1.00 1.32 H new ATOM 0 HA ASP A 80 -13.167 0.034 -10.251 1.00 1.15 H new ATOM 0 HB2 ASP A 80 -12.878 -2.563 -8.686 1.00 1.82 H new ATOM 0 HB3 ASP A 80 -13.336 -1.029 -7.972 1.00 1.82 H new ATOM 1221 N ILE A 81 -11.185 0.156 -8.352 1.00 0.74 N ATOM 1222 CA ILE A 81 -9.939 0.682 -7.820 1.00 0.55 C ATOM 1223 C ILE A 81 -9.518 -0.081 -6.570 1.00 0.47 C ATOM 1224 O ILE A 81 -10.154 0.034 -5.520 1.00 0.63 O ATOM 1225 CB ILE A 81 -10.073 2.187 -7.494 1.00 0.63 C ATOM 1226 CG1 ILE A 81 -10.322 2.979 -8.776 1.00 0.72 C ATOM 1227 CG2 ILE A 81 -8.837 2.708 -6.778 1.00 0.67 C ATOM 1228 CD1 ILE A 81 -9.195 2.859 -9.774 1.00 0.73 C ATOM 0 H ILE A 81 -11.999 0.327 -7.762 1.00 0.74 H new ATOM 0 HA ILE A 81 -9.172 0.555 -8.584 1.00 0.55 H new ATOM 0 HB ILE A 81 -10.924 2.317 -6.825 1.00 0.63 H new ATOM 0 HG12 ILE A 81 -11.246 2.631 -9.237 1.00 0.72 H new ATOM 0 HG13 ILE A 81 -10.467 4.030 -8.525 1.00 0.72 H new ATOM 0 HG21 ILE A 81 -8.962 3.769 -6.562 1.00 0.67 H new ATOM 0 HG22 ILE A 81 -8.700 2.162 -5.845 1.00 0.67 H new ATOM 0 HG23 ILE A 81 -7.962 2.567 -7.413 1.00 0.67 H new ATOM 0 HD11 ILE A 81 -9.432 3.444 -10.663 1.00 0.73 H new ATOM 0 HD12 ILE A 81 -8.273 3.233 -9.329 1.00 0.73 H new ATOM 0 HD13 ILE A 81 -9.065 1.813 -10.052 1.00 0.73 H new ATOM 1240 N VAL A 82 -8.453 -0.864 -6.682 1.00 0.32 N ATOM 1241 CA VAL A 82 -7.971 -1.630 -5.557 1.00 0.30 C ATOM 1242 C VAL A 82 -6.864 -0.889 -4.828 1.00 0.25 C ATOM 1243 O VAL A 82 -5.725 -0.846 -5.291 1.00 0.28 O ATOM 1244 CB VAL A 82 -7.442 -2.990 -6.012 1.00 0.39 C ATOM 1245 CG1 VAL A 82 -6.910 -3.761 -4.826 1.00 0.97 C ATOM 1246 CG2 VAL A 82 -8.534 -3.770 -6.724 1.00 1.19 C ATOM 0 H VAL A 82 -7.913 -0.980 -7.540 1.00 0.32 H new ATOM 0 HA VAL A 82 -8.812 -1.776 -4.880 1.00 0.30 H new ATOM 0 HB VAL A 82 -6.624 -2.836 -6.716 1.00 0.39 H new ATOM 0 HG11 VAL A 82 -6.535 -4.729 -5.160 1.00 0.97 H new ATOM 0 HG12 VAL A 82 -6.100 -3.199 -4.360 1.00 0.97 H new ATOM 0 HG13 VAL A 82 -7.710 -3.912 -4.102 1.00 0.97 H new ATOM 0 HG21 VAL A 82 -8.143 -4.736 -7.042 1.00 1.19 H new ATOM 0 HG22 VAL A 82 -9.373 -3.924 -6.045 1.00 1.19 H new ATOM 0 HG23 VAL A 82 -8.871 -3.210 -7.596 1.00 1.19 H new ATOM 1256 N ILE A 83 -7.194 -0.303 -3.698 1.00 0.25 N ATOM 1257 CA ILE A 83 -6.193 0.377 -2.898 1.00 0.25 C ATOM 1258 C ILE A 83 -5.541 -0.614 -1.967 1.00 0.27 C ATOM 1259 O ILE A 83 -6.094 -0.951 -0.930 1.00 0.45 O ATOM 1260 CB ILE A 83 -6.798 1.492 -2.030 1.00 0.34 C ATOM 1261 CG1 ILE A 83 -7.678 2.407 -2.867 1.00 0.48 C ATOM 1262 CG2 ILE A 83 -5.696 2.288 -1.335 1.00 0.84 C ATOM 1263 CD1 ILE A 83 -6.911 3.370 -3.744 1.00 1.32 C ATOM 0 H ILE A 83 -8.138 -0.282 -3.313 1.00 0.25 H new ATOM 0 HA ILE A 83 -5.477 0.818 -3.592 1.00 0.25 H new ATOM 0 HB ILE A 83 -7.421 1.030 -1.264 1.00 0.34 H new ATOM 0 HG12 ILE A 83 -8.324 1.795 -3.497 1.00 0.48 H new ATOM 0 HG13 ILE A 83 -8.327 2.977 -2.202 1.00 0.48 H new ATOM 0 HG21 ILE A 83 -6.143 3.073 -0.725 1.00 0.84 H new ATOM 0 HG22 ILE A 83 -5.112 1.623 -0.699 1.00 0.84 H new ATOM 0 HG23 ILE A 83 -5.044 2.738 -2.084 1.00 0.84 H new ATOM 0 HD11 ILE A 83 -7.612 3.986 -4.308 1.00 1.32 H new ATOM 0 HD12 ILE A 83 -6.285 4.010 -3.122 1.00 1.32 H new ATOM 0 HD13 ILE A 83 -6.282 2.810 -4.436 1.00 1.32 H new ATOM 1275 N LEU A 84 -4.384 -1.077 -2.338 1.00 0.22 N ATOM 1276 CA LEU A 84 -3.673 -2.039 -1.523 1.00 0.27 C ATOM 1277 C LEU A 84 -2.837 -1.329 -0.463 1.00 0.27 C ATOM 1278 O LEU A 84 -1.808 -0.731 -0.773 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.762 -2.884 -2.390 1.00 0.35 C ATOM 1280 CG LEU A 84 -2.113 -4.037 -1.667 1.00 0.49 C ATOM 1281 CD1 LEU A 84 -3.076 -5.208 -1.622 1.00 1.33 C ATOM 1282 CD2 LEU A 84 -0.804 -4.394 -2.337 1.00 1.33 C ATOM 0 H LEU A 84 -3.906 -0.809 -3.198 1.00 0.22 H new ATOM 0 HA LEU A 84 -4.407 -2.678 -1.032 1.00 0.27 H new ATOM 0 HB2 LEU A 84 -3.338 -3.274 -3.229 1.00 0.35 H new ATOM 0 HB3 LEU A 84 -1.982 -2.247 -2.807 1.00 0.35 H new ATOM 0 HG LEU A 84 -1.882 -3.757 -0.639 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -2.609 -6.043 -1.100 1.00 1.33 H new ATOM 0 HD12 LEU A 84 -3.984 -4.913 -1.096 1.00 1.33 H new ATOM 0 HD13 LEU A 84 -3.328 -5.511 -2.638 1.00 1.33 H new ATOM 0 HD21 LEU A 84 -0.341 -5.228 -1.809 1.00 1.33 H new ATOM 0 HD22 LEU A 84 -0.991 -4.679 -3.372 1.00 1.33 H new ATOM 0 HD23 LEU A 84 -0.136 -3.533 -2.313 1.00 1.33 H new ATOM 1294 N VAL A 85 -3.272 -1.385 0.782 1.00 0.28 N ATOM 1295 CA VAL A 85 -2.546 -0.730 1.853 1.00 0.28 C ATOM 1296 C VAL A 85 -1.360 -1.575 2.305 1.00 0.27 C ATOM 1297 O VAL A 85 -1.434 -2.805 2.359 1.00 0.34 O ATOM 1298 CB VAL A 85 -3.457 -0.412 3.065 1.00 0.32 C ATOM 1299 CG1 VAL A 85 -3.686 -1.635 3.939 1.00 1.17 C ATOM 1300 CG2 VAL A 85 -2.883 0.743 3.881 1.00 1.20 C ATOM 0 H VAL A 85 -4.118 -1.874 1.075 1.00 0.28 H new ATOM 0 HA VAL A 85 -2.179 0.215 1.451 1.00 0.28 H new ATOM 0 HB VAL A 85 -4.429 -0.110 2.674 1.00 0.32 H new ATOM 0 HG11 VAL A 85 -4.330 -1.368 4.777 1.00 1.17 H new ATOM 0 HG12 VAL A 85 -4.163 -2.419 3.350 1.00 1.17 H new ATOM 0 HG13 VAL A 85 -2.730 -1.996 4.317 1.00 1.17 H new ATOM 0 HG21 VAL A 85 -3.537 0.951 4.728 1.00 1.20 H new ATOM 0 HG22 VAL A 85 -1.892 0.473 4.246 1.00 1.20 H new ATOM 0 HG23 VAL A 85 -2.809 1.631 3.253 1.00 1.20 H new ATOM 1310 N VAL A 86 -0.269 -0.898 2.597 1.00 0.25 N ATOM 1311 CA VAL A 86 0.928 -1.522 3.124 1.00 0.27 C ATOM 1312 C VAL A 86 1.518 -0.590 4.170 1.00 0.24 C ATOM 1313 O VAL A 86 0.895 0.402 4.542 1.00 0.26 O ATOM 1314 CB VAL A 86 1.985 -1.795 2.025 1.00 0.36 C ATOM 1315 CG1 VAL A 86 1.488 -2.826 1.029 1.00 1.12 C ATOM 1316 CG2 VAL A 86 2.374 -0.512 1.312 1.00 0.95 C ATOM 0 H VAL A 86 -0.187 0.111 2.474 1.00 0.25 H new ATOM 0 HA VAL A 86 0.656 -2.487 3.552 1.00 0.27 H new ATOM 0 HB VAL A 86 2.872 -2.197 2.515 1.00 0.36 H new ATOM 0 HG11 VAL A 86 2.252 -2.996 0.270 1.00 1.12 H new ATOM 0 HG12 VAL A 86 1.277 -3.761 1.548 1.00 1.12 H new ATOM 0 HG13 VAL A 86 0.578 -2.462 0.552 1.00 1.12 H new ATOM 0 HG21 VAL A 86 3.117 -0.733 0.546 1.00 0.95 H new ATOM 0 HG22 VAL A 86 1.492 -0.073 0.846 1.00 0.95 H new ATOM 0 HG23 VAL A 86 2.793 0.192 2.032 1.00 0.95 H new ATOM 1326 N ALA A 87 2.705 -0.891 4.642 1.00 0.28 N ATOM 1327 CA ALA A 87 3.360 -0.016 5.591 1.00 0.32 C ATOM 1328 C ALA A 87 4.830 0.126 5.266 1.00 0.46 C ATOM 1329 O ALA A 87 5.442 -0.815 4.755 1.00 0.75 O ATOM 1330 CB ALA A 87 3.161 -0.514 7.010 1.00 0.42 C ATOM 0 H ALA A 87 3.234 -1.726 4.389 1.00 0.28 H new ATOM 0 HA ALA A 87 2.903 0.971 5.515 1.00 0.32 H new ATOM 0 HB1 ALA A 87 3.662 0.159 7.706 1.00 0.42 H new ATOM 0 HB2 ALA A 87 2.096 -0.545 7.239 1.00 0.42 H new ATOM 0 HB3 ALA A 87 3.582 -1.515 7.107 1.00 0.42 H new ATOM 1336 N ALA A 88 5.363 1.314 5.552 1.00 0.37 N ATOM 1337 CA ALA A 88 6.764 1.663 5.289 1.00 0.59 C ATOM 1338 C ALA A 88 7.713 0.484 5.494 1.00 0.53 C ATOM 1339 O ALA A 88 8.476 0.127 4.594 1.00 1.14 O ATOM 1340 CB ALA A 88 7.178 2.816 6.192 1.00 1.18 C ATOM 0 H ALA A 88 4.830 2.072 5.978 1.00 0.37 H new ATOM 0 HA ALA A 88 6.835 1.954 4.241 1.00 0.59 H new ATOM 0 HB1 ALA A 88 8.219 3.075 5.997 1.00 1.18 H new ATOM 0 HB2 ALA A 88 6.545 3.680 5.992 1.00 1.18 H new ATOM 0 HB3 ALA A 88 7.068 2.519 7.235 1.00 1.18 H new ATOM 1346 N ASP A 89 7.643 -0.124 6.670 1.00 0.56 N ATOM 1347 CA ASP A 89 8.589 -1.161 7.057 1.00 0.93 C ATOM 1348 C ASP A 89 8.012 -2.569 6.905 1.00 0.85 C ATOM 1349 O ASP A 89 8.743 -3.554 7.011 1.00 1.24 O ATOM 1350 CB ASP A 89 9.026 -0.947 8.508 1.00 1.44 C ATOM 1351 CG ASP A 89 7.877 -1.094 9.489 1.00 1.68 C ATOM 1352 OD1 ASP A 89 7.140 -0.105 9.705 1.00 1.90 O ATOM 1353 OD2 ASP A 89 7.705 -2.196 10.049 1.00 2.01 O ATOM 0 H ASP A 89 6.937 0.085 7.376 1.00 0.56 H new ATOM 0 HA ASP A 89 9.444 -1.082 6.385 1.00 0.93 H new ATOM 0 HB2 ASP A 89 9.807 -1.665 8.758 1.00 1.44 H new ATOM 0 HB3 ASP A 89 9.462 0.047 8.610 1.00 1.44 H new ATOM 1358 N ASP A 90 6.714 -2.679 6.653 1.00 0.48 N ATOM 1359 CA ASP A 90 6.082 -3.997 6.620 1.00 0.46 C ATOM 1360 C ASP A 90 6.081 -4.580 5.219 1.00 0.45 C ATOM 1361 O ASP A 90 6.331 -5.770 5.033 1.00 0.69 O ATOM 1362 CB ASP A 90 4.641 -3.955 7.133 1.00 0.52 C ATOM 1363 CG ASP A 90 4.172 -5.314 7.602 1.00 0.74 C ATOM 1364 OD1 ASP A 90 4.668 -5.793 8.642 1.00 0.93 O ATOM 1365 OD2 ASP A 90 3.307 -5.915 6.931 1.00 1.09 O ATOM 0 H ASP A 90 6.088 -1.894 6.472 1.00 0.48 H new ATOM 0 HA ASP A 90 6.676 -4.631 7.278 1.00 0.46 H new ATOM 0 HB2 ASP A 90 4.568 -3.242 7.954 1.00 0.52 H new ATOM 0 HB3 ASP A 90 3.983 -3.597 6.341 1.00 0.52 H new ATOM 1370 N GLY A 91 5.818 -3.735 4.236 1.00 0.36 N ATOM 1371 CA GLY A 91 5.655 -4.218 2.883 1.00 0.36 C ATOM 1372 C GLY A 91 4.312 -4.893 2.703 1.00 0.35 C ATOM 1373 O GLY A 91 3.297 -4.414 3.208 1.00 0.52 O ATOM 0 H GLY A 91 5.715 -2.727 4.350 1.00 0.36 H new ATOM 0 HA2 GLY A 91 5.744 -3.387 2.184 1.00 0.36 H new ATOM 0 HA3 GLY A 91 6.453 -4.921 2.646 1.00 0.36 H new ATOM 1377 N VAL A 92 4.312 -6.005 1.993 1.00 0.38 N ATOM 1378 CA VAL A 92 3.116 -6.778 1.751 1.00 0.37 C ATOM 1379 C VAL A 92 3.063 -7.987 2.679 1.00 0.36 C ATOM 1380 O VAL A 92 3.900 -8.888 2.596 1.00 0.47 O ATOM 1381 CB VAL A 92 3.100 -7.231 0.279 1.00 0.47 C ATOM 1382 CG1 VAL A 92 2.116 -8.352 0.056 1.00 1.08 C ATOM 1383 CG2 VAL A 92 2.780 -6.062 -0.633 1.00 1.06 C ATOM 0 H VAL A 92 5.151 -6.398 1.566 1.00 0.38 H new ATOM 0 HA VAL A 92 2.240 -6.161 1.952 1.00 0.37 H new ATOM 0 HB VAL A 92 4.095 -7.606 0.038 1.00 0.47 H new ATOM 0 HG11 VAL A 92 2.131 -8.646 -0.993 1.00 1.08 H new ATOM 0 HG12 VAL A 92 2.390 -9.205 0.676 1.00 1.08 H new ATOM 0 HG13 VAL A 92 1.114 -8.016 0.324 1.00 1.08 H new ATOM 0 HG21 VAL A 92 2.773 -6.400 -1.669 1.00 1.06 H new ATOM 0 HG22 VAL A 92 1.801 -5.658 -0.376 1.00 1.06 H new ATOM 0 HG23 VAL A 92 3.536 -5.287 -0.510 1.00 1.06 H new ATOM 1393 N MET A 93 2.099 -7.992 3.587 1.00 0.29 N ATOM 1394 CA MET A 93 1.897 -9.130 4.464 1.00 0.31 C ATOM 1395 C MET A 93 1.021 -10.153 3.738 1.00 0.31 C ATOM 1396 O MET A 93 0.467 -9.836 2.687 1.00 0.31 O ATOM 1397 CB MET A 93 1.280 -8.662 5.792 1.00 0.36 C ATOM 1398 CG MET A 93 -0.222 -8.446 5.766 1.00 0.67 C ATOM 1399 SD MET A 93 -1.131 -9.920 6.264 1.00 1.32 S ATOM 1400 CE MET A 93 -0.329 -10.275 7.827 1.00 0.65 C ATOM 0 H MET A 93 1.447 -7.222 3.734 1.00 0.29 H new ATOM 0 HA MET A 93 2.846 -9.608 4.709 1.00 0.31 H new ATOM 0 HB2 MET A 93 1.512 -9.398 6.561 1.00 0.36 H new ATOM 0 HB3 MET A 93 1.760 -7.729 6.089 1.00 0.36 H new ATOM 0 HG2 MET A 93 -0.480 -7.621 6.430 1.00 0.67 H new ATOM 0 HG3 MET A 93 -0.528 -8.155 4.761 1.00 0.67 H new ATOM 0 HE1 MET A 93 0.340 -11.127 7.707 1.00 0.65 H new ATOM 0 HE2 MET A 93 0.244 -9.405 8.148 1.00 0.65 H new ATOM 0 HE3 MET A 93 -1.083 -10.509 8.578 1.00 0.65 H new ATOM 1410 N PRO A 94 0.923 -11.396 4.245 1.00 0.38 N ATOM 1411 CA PRO A 94 0.115 -12.463 3.643 1.00 0.42 C ATOM 1412 C PRO A 94 -1.186 -11.996 2.974 1.00 0.39 C ATOM 1413 O PRO A 94 -1.427 -12.301 1.801 1.00 0.42 O ATOM 1414 CB PRO A 94 -0.188 -13.348 4.845 1.00 0.52 C ATOM 1415 CG PRO A 94 1.043 -13.258 5.684 1.00 0.61 C ATOM 1416 CD PRO A 94 1.634 -11.889 5.442 1.00 0.46 C ATOM 0 HA PRO A 94 0.647 -12.946 2.823 1.00 0.42 H new ATOM 0 HB2 PRO A 94 -1.066 -12.997 5.387 1.00 0.52 H new ATOM 0 HB3 PRO A 94 -0.390 -14.376 4.542 1.00 0.52 H new ATOM 0 HG2 PRO A 94 0.804 -13.395 6.738 1.00 0.61 H new ATOM 0 HG3 PRO A 94 1.753 -14.039 5.414 1.00 0.61 H new ATOM 0 HD2 PRO A 94 1.479 -11.231 6.297 1.00 0.46 H new ATOM 0 HD3 PRO A 94 2.709 -11.943 5.273 1.00 0.46 H new ATOM 1424 N GLN A 95 -2.006 -11.236 3.688 1.00 0.40 N ATOM 1425 CA GLN A 95 -3.309 -10.870 3.181 1.00 0.43 C ATOM 1426 C GLN A 95 -3.212 -9.745 2.158 1.00 0.36 C ATOM 1427 O GLN A 95 -4.127 -9.542 1.359 1.00 0.39 O ATOM 1428 CB GLN A 95 -4.238 -10.494 4.330 1.00 0.53 C ATOM 1429 CG GLN A 95 -4.365 -11.604 5.356 1.00 0.64 C ATOM 1430 CD GLN A 95 -5.806 -11.940 5.686 1.00 0.88 C ATOM 1431 OE1 GLN A 95 -6.392 -11.383 6.612 1.00 1.41 O ATOM 1432 NE2 GLN A 95 -6.385 -12.862 4.930 1.00 1.47 N ATOM 0 H GLN A 95 -1.788 -10.866 4.613 1.00 0.40 H new ATOM 0 HA GLN A 95 -3.730 -11.735 2.669 1.00 0.43 H new ATOM 0 HB2 GLN A 95 -3.864 -9.594 4.817 1.00 0.53 H new ATOM 0 HB3 GLN A 95 -5.225 -10.255 3.933 1.00 0.53 H new ATOM 0 HG2 GLN A 95 -3.866 -12.497 4.981 1.00 0.64 H new ATOM 0 HG3 GLN A 95 -3.848 -11.309 6.269 1.00 0.64 H new ATOM 0 HE21 GLN A 95 -5.863 -13.300 4.171 1.00 1.47 H new ATOM 0 HE22 GLN A 95 -7.352 -13.133 5.107 1.00 1.47 H new ATOM 1441 N THR A 96 -2.083 -9.042 2.161 1.00 0.33 N ATOM 1442 CA THR A 96 -1.829 -8.012 1.176 1.00 0.31 C ATOM 1443 C THR A 96 -1.657 -8.646 -0.213 1.00 0.29 C ATOM 1444 O THR A 96 -1.798 -7.986 -1.238 1.00 0.34 O ATOM 1445 CB THR A 96 -0.581 -7.198 1.569 1.00 0.34 C ATOM 1446 OG1 THR A 96 -0.596 -6.944 2.980 1.00 0.37 O ATOM 1447 CG2 THR A 96 -0.539 -5.875 0.829 1.00 0.46 C ATOM 0 H THR A 96 -1.332 -9.172 2.839 1.00 0.33 H new ATOM 0 HA THR A 96 -2.680 -7.332 1.140 1.00 0.31 H new ATOM 0 HB THR A 96 0.302 -7.779 1.301 1.00 0.34 H new ATOM 0 HG1 THR A 96 -0.763 -5.991 3.139 1.00 0.37 H new ATOM 0 HG21 THR A 96 0.352 -5.321 1.125 1.00 0.46 H new ATOM 0 HG22 THR A 96 -0.511 -6.060 -0.245 1.00 0.46 H new ATOM 0 HG23 THR A 96 -1.427 -5.293 1.074 1.00 0.46 H new ATOM 1455 N VAL A 97 -1.372 -9.949 -0.236 1.00 0.33 N ATOM 1456 CA VAL A 97 -1.256 -10.688 -1.475 1.00 0.39 C ATOM 1457 C VAL A 97 -2.593 -11.291 -1.870 1.00 0.34 C ATOM 1458 O VAL A 97 -2.991 -11.224 -3.030 1.00 0.37 O ATOM 1459 CB VAL A 97 -0.238 -11.829 -1.337 1.00 0.60 C ATOM 1460 CG1 VAL A 97 -0.226 -12.690 -2.577 1.00 1.00 C ATOM 1461 CG2 VAL A 97 1.132 -11.276 -1.072 1.00 1.05 C ATOM 0 H VAL A 97 -1.218 -10.510 0.602 1.00 0.33 H new ATOM 0 HA VAL A 97 -0.924 -9.986 -2.240 1.00 0.39 H new ATOM 0 HB VAL A 97 -0.534 -12.451 -0.492 1.00 0.60 H new ATOM 0 HG11 VAL A 97 0.503 -13.492 -2.456 1.00 1.00 H new ATOM 0 HG12 VAL A 97 -1.216 -13.120 -2.731 1.00 1.00 H new ATOM 0 HG13 VAL A 97 0.044 -12.081 -3.440 1.00 1.00 H new ATOM 0 HG21 VAL A 97 1.843 -12.096 -0.976 1.00 1.05 H new ATOM 0 HG22 VAL A 97 1.430 -10.631 -1.899 1.00 1.05 H new ATOM 0 HG23 VAL A 97 1.119 -10.698 -0.148 1.00 1.05 H new ATOM 1471 N GLU A 98 -3.280 -11.880 -0.897 1.00 0.35 N ATOM 1472 CA GLU A 98 -4.538 -12.572 -1.155 1.00 0.40 C ATOM 1473 C GLU A 98 -5.585 -11.612 -1.711 1.00 0.34 C ATOM 1474 O GLU A 98 -6.489 -12.016 -2.444 1.00 0.45 O ATOM 1475 CB GLU A 98 -5.052 -13.231 0.121 1.00 0.54 C ATOM 1476 CG GLU A 98 -4.026 -14.133 0.786 1.00 0.72 C ATOM 1477 CD GLU A 98 -4.600 -14.937 1.932 1.00 1.14 C ATOM 1478 OE1 GLU A 98 -5.203 -14.338 2.847 1.00 1.62 O ATOM 1479 OE2 GLU A 98 -4.458 -16.179 1.920 1.00 1.55 O ATOM 0 H GLU A 98 -2.986 -11.892 0.080 1.00 0.35 H new ATOM 0 HA GLU A 98 -4.353 -13.345 -1.901 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -5.355 -12.456 0.825 1.00 0.54 H new ATOM 0 HB3 GLU A 98 -5.942 -13.815 -0.113 1.00 0.54 H new ATOM 0 HG2 GLU A 98 -3.613 -14.815 0.042 1.00 0.72 H new ATOM 0 HG3 GLU A 98 -3.200 -13.525 1.154 1.00 0.72 H new ATOM 1486 N ALA A 99 -5.450 -10.342 -1.363 1.00 0.28 N ATOM 1487 CA ALA A 99 -6.326 -9.314 -1.894 1.00 0.27 C ATOM 1488 C ALA A 99 -5.938 -8.987 -3.331 1.00 0.25 C ATOM 1489 O ALA A 99 -6.796 -8.774 -4.175 1.00 0.34 O ATOM 1490 CB ALA A 99 -6.263 -8.069 -1.024 1.00 0.31 C ATOM 0 H ALA A 99 -4.741 -10.000 -0.714 1.00 0.28 H new ATOM 0 HA ALA A 99 -7.351 -9.685 -1.889 1.00 0.27 H new ATOM 0 HB1 ALA A 99 -6.925 -7.305 -1.433 1.00 0.31 H new ATOM 0 HB2 ALA A 99 -6.578 -8.317 -0.010 1.00 0.31 H new ATOM 0 HB3 ALA A 99 -5.241 -7.691 -1.004 1.00 0.31 H new ATOM 1496 N ILE A 100 -4.637 -8.991 -3.602 1.00 0.25 N ATOM 1497 CA ILE A 100 -4.113 -8.658 -4.925 1.00 0.24 C ATOM 1498 C ILE A 100 -4.336 -9.800 -5.910 1.00 0.28 C ATOM 1499 O ILE A 100 -4.725 -9.570 -7.051 1.00 0.34 O ATOM 1500 CB ILE A 100 -2.619 -8.287 -4.822 1.00 0.25 C ATOM 1501 CG1 ILE A 100 -2.432 -6.806 -5.145 1.00 0.36 C ATOM 1502 CG2 ILE A 100 -1.727 -9.155 -5.709 1.00 0.37 C ATOM 1503 CD1 ILE A 100 -1.011 -6.317 -4.968 1.00 0.38 C ATOM 0 H ILE A 100 -3.919 -9.223 -2.916 1.00 0.25 H new ATOM 0 HA ILE A 100 -4.657 -7.794 -5.307 1.00 0.24 H new ATOM 0 HB ILE A 100 -2.306 -8.480 -3.796 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -2.743 -6.626 -6.174 1.00 0.36 H new ATOM 0 HG13 ILE A 100 -3.091 -6.218 -4.506 1.00 0.36 H new ATOM 0 HG21 ILE A 100 -0.688 -8.846 -5.593 1.00 0.37 H new ATOM 0 HG22 ILE A 100 -1.830 -10.200 -5.417 1.00 0.37 H new ATOM 0 HG23 ILE A 100 -2.026 -9.039 -6.751 1.00 0.37 H new ATOM 0 HD11 ILE A 100 -0.957 -5.257 -5.216 1.00 0.38 H new ATOM 0 HD12 ILE A 100 -0.702 -6.464 -3.933 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.348 -6.878 -5.627 1.00 0.38 H new ATOM 1515 N ASN A 101 -4.074 -11.024 -5.468 1.00 0.31 N ATOM 1516 CA ASN A 101 -4.427 -12.213 -6.221 1.00 0.38 C ATOM 1517 C ASN A 101 -5.893 -12.173 -6.633 1.00 0.37 C ATOM 1518 O ASN A 101 -6.259 -12.601 -7.727 1.00 0.46 O ATOM 1519 CB ASN A 101 -4.171 -13.435 -5.354 1.00 0.46 C ATOM 1520 CG ASN A 101 -3.552 -14.561 -6.131 1.00 1.08 C ATOM 1521 OD1 ASN A 101 -3.854 -14.776 -7.305 1.00 1.85 O ATOM 1522 ND2 ASN A 101 -2.660 -15.276 -5.481 1.00 1.55 N ATOM 0 H ASN A 101 -3.612 -11.216 -4.579 1.00 0.31 H new ATOM 0 HA ASN A 101 -3.819 -12.259 -7.125 1.00 0.38 H new ATOM 0 HB2 ASN A 101 -3.514 -13.161 -4.528 1.00 0.46 H new ATOM 0 HB3 ASN A 101 -5.111 -13.771 -4.916 1.00 0.46 H new ATOM 0 HD21 ASN A 101 -2.185 -16.047 -5.950 1.00 1.55 H new ATOM 0 HD22 ASN A 101 -2.443 -15.059 -4.508 1.00 1.55 H new ATOM 1529 N HIS A 102 -6.721 -11.632 -5.753 1.00 0.33 N ATOM 1530 CA HIS A 102 -8.148 -11.531 -6.011 1.00 0.38 C ATOM 1531 C HIS A 102 -8.454 -10.288 -6.838 1.00 0.38 C ATOM 1532 O HIS A 102 -9.443 -10.243 -7.567 1.00 0.47 O ATOM 1533 CB HIS A 102 -8.918 -11.481 -4.688 1.00 0.43 C ATOM 1534 CG HIS A 102 -10.396 -11.689 -4.837 1.00 0.55 C ATOM 1535 ND1 HIS A 102 -11.020 -12.887 -4.572 1.00 0.75 N ATOM 1536 CD2 HIS A 102 -11.377 -10.833 -5.212 1.00 0.61 C ATOM 1537 CE1 HIS A 102 -12.316 -12.765 -4.779 1.00 0.85 C ATOM 1538 NE2 HIS A 102 -12.562 -11.525 -5.168 1.00 0.77 N ATOM 0 H HIS A 102 -6.428 -11.255 -4.852 1.00 0.33 H new ATOM 0 HA HIS A 102 -8.462 -12.410 -6.574 1.00 0.38 H new ATOM 0 HB2 HIS A 102 -8.519 -12.243 -4.018 1.00 0.43 H new ATOM 0 HB3 HIS A 102 -8.743 -10.516 -4.213 1.00 0.43 H new ATOM 0 HD2 HIS A 102 -11.250 -9.798 -5.493 1.00 0.61 H new ATOM 0 HE1 HIS A 102 -13.052 -13.545 -4.652 1.00 0.85 H new ATOM 0 HE2 HIS A 102 -13.481 -11.145 -5.397 1.00 0.77 H new ATOM 1547 N ALA A 103 -7.598 -9.283 -6.726 1.00 0.32 N ATOM 1548 CA ALA A 103 -7.860 -7.996 -7.346 1.00 0.38 C ATOM 1549 C ALA A 103 -7.349 -7.925 -8.781 1.00 0.40 C ATOM 1550 O ALA A 103 -8.084 -7.553 -9.697 1.00 0.48 O ATOM 1551 CB ALA A 103 -7.234 -6.886 -6.520 1.00 0.43 C ATOM 0 H ALA A 103 -6.718 -9.335 -6.212 1.00 0.32 H new ATOM 0 HA ALA A 103 -8.942 -7.869 -7.381 1.00 0.38 H new ATOM 0 HB1 ALA A 103 -7.435 -5.924 -6.992 1.00 0.43 H new ATOM 0 HB2 ALA A 103 -7.660 -6.894 -5.517 1.00 0.43 H new ATOM 0 HB3 ALA A 103 -6.157 -7.042 -6.458 1.00 0.43 H new ATOM 1557 N LYS A 104 -6.095 -8.303 -8.975 1.00 0.40 N ATOM 1558 CA LYS A 104 -5.427 -8.108 -10.247 1.00 0.51 C ATOM 1559 C LYS A 104 -6.009 -9.024 -11.322 1.00 0.50 C ATOM 1560 O LYS A 104 -5.925 -8.735 -12.515 1.00 0.60 O ATOM 1561 CB LYS A 104 -3.933 -8.370 -10.050 1.00 0.64 C ATOM 1562 CG LYS A 104 -3.418 -9.611 -10.753 1.00 1.11 C ATOM 1563 CD LYS A 104 -2.173 -10.137 -10.078 1.00 1.57 C ATOM 1564 CE LYS A 104 -1.028 -9.133 -10.124 1.00 1.92 C ATOM 1565 NZ LYS A 104 -0.724 -8.661 -11.505 1.00 2.56 N ATOM 0 H LYS A 104 -5.519 -8.749 -8.261 1.00 0.40 H new ATOM 0 HA LYS A 104 -5.580 -7.084 -10.589 1.00 0.51 H new ATOM 0 HB2 LYS A 104 -3.374 -7.506 -10.409 1.00 0.64 H new ATOM 0 HB3 LYS A 104 -3.730 -8.461 -8.983 1.00 0.64 H new ATOM 0 HG2 LYS A 104 -4.190 -10.381 -10.752 1.00 1.11 H new ATOM 0 HG3 LYS A 104 -3.201 -9.379 -11.796 1.00 1.11 H new ATOM 0 HD2 LYS A 104 -2.399 -10.381 -9.040 1.00 1.57 H new ATOM 0 HD3 LYS A 104 -1.862 -11.063 -10.562 1.00 1.57 H new ATOM 0 HE2 LYS A 104 -1.278 -8.275 -9.499 1.00 1.92 H new ATOM 0 HE3 LYS A 104 -0.135 -9.589 -9.697 1.00 1.92 H new ATOM 0 HZ1 LYS A 104 0.261 -8.329 -11.550 1.00 2.56 H new ATOM 0 HZ2 LYS A 104 -0.856 -9.444 -12.176 1.00 2.56 H new ATOM 0 HZ3 LYS A 104 -1.364 -7.880 -11.754 1.00 2.56 H new ATOM 1579 N ALA A 105 -6.649 -10.102 -10.883 1.00 0.51 N ATOM 1580 CA ALA A 105 -7.108 -11.143 -11.794 1.00 0.61 C ATOM 1581 C ALA A 105 -8.463 -10.809 -12.403 1.00 0.66 C ATOM 1582 O ALA A 105 -9.068 -11.632 -13.089 1.00 0.76 O ATOM 1583 CB ALA A 105 -7.162 -12.484 -11.079 1.00 0.72 C ATOM 0 H ALA A 105 -6.862 -10.278 -9.901 1.00 0.51 H new ATOM 0 HA ALA A 105 -6.390 -11.204 -12.612 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -7.506 -13.252 -11.772 1.00 0.72 H new ATOM 0 HB2 ALA A 105 -6.168 -12.743 -10.716 1.00 0.72 H new ATOM 0 HB3 ALA A 105 -7.851 -12.420 -10.237 1.00 0.72 H new ATOM 1589 N ALA A 106 -8.938 -9.605 -12.148 1.00 0.62 N ATOM 1590 CA ALA A 106 -10.160 -9.125 -12.764 1.00 0.70 C ATOM 1591 C ALA A 106 -9.805 -8.162 -13.880 1.00 0.72 C ATOM 1592 O ALA A 106 -10.680 -7.654 -14.585 1.00 0.90 O ATOM 1593 CB ALA A 106 -11.051 -8.454 -11.732 1.00 0.75 C ATOM 0 H ALA A 106 -8.494 -8.939 -11.516 1.00 0.62 H new ATOM 0 HA ALA A 106 -10.714 -9.967 -13.179 1.00 0.70 H new ATOM 0 HB1 ALA A 106 -11.963 -8.101 -12.213 1.00 0.75 H new ATOM 0 HB2 ALA A 106 -11.307 -9.170 -10.951 1.00 0.75 H new ATOM 0 HB3 ALA A 106 -10.523 -7.609 -11.290 1.00 0.75 H new ATOM 1599 N ASN A 107 -8.491 -7.931 -14.007 1.00 0.67 N ATOM 1600 CA ASN A 107 -7.914 -7.022 -14.990 1.00 0.73 C ATOM 1601 C ASN A 107 -8.056 -5.619 -14.457 1.00 0.67 C ATOM 1602 O ASN A 107 -8.592 -4.717 -15.103 1.00 0.80 O ATOM 1603 CB ASN A 107 -8.548 -7.176 -16.360 1.00 0.92 C ATOM 1604 CG ASN A 107 -7.662 -6.648 -17.475 1.00 1.44 C ATOM 1605 OD1 ASN A 107 -6.795 -7.361 -17.982 1.00 1.99 O ATOM 1606 ND2 ASN A 107 -7.884 -5.403 -17.875 1.00 2.06 N ATOM 0 H ASN A 107 -7.792 -8.382 -13.416 1.00 0.67 H new ATOM 0 HA ASN A 107 -6.860 -7.261 -15.135 1.00 0.73 H new ATOM 0 HB2 ASN A 107 -8.764 -8.229 -16.540 1.00 0.92 H new ATOM 0 HB3 ASN A 107 -9.501 -6.648 -16.377 1.00 0.92 H new ATOM 0 HD21 ASN A 107 -7.326 -5.003 -18.629 1.00 2.06 H new ATOM 0 HD22 ASN A 107 -8.612 -4.846 -17.428 1.00 2.06 H new ATOM 1613 N VAL A 108 -7.579 -5.471 -13.235 1.00 0.55 N ATOM 1614 CA VAL A 108 -7.772 -4.279 -12.455 1.00 0.49 C ATOM 1615 C VAL A 108 -6.436 -3.702 -11.996 1.00 0.40 C ATOM 1616 O VAL A 108 -5.504 -4.452 -11.696 1.00 0.42 O ATOM 1617 CB VAL A 108 -8.613 -4.625 -11.217 1.00 0.54 C ATOM 1618 CG1 VAL A 108 -8.511 -3.519 -10.202 1.00 1.00 C ATOM 1619 CG2 VAL A 108 -10.060 -4.880 -11.605 1.00 1.08 C ATOM 0 H VAL A 108 -7.039 -6.191 -12.756 1.00 0.55 H new ATOM 0 HA VAL A 108 -8.279 -3.538 -13.073 1.00 0.49 H new ATOM 0 HB VAL A 108 -8.224 -5.540 -10.771 1.00 0.54 H new ATOM 0 HG11 VAL A 108 -9.110 -3.772 -9.327 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -7.470 -3.393 -9.905 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -8.879 -2.590 -10.638 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -10.638 -5.123 -10.714 1.00 1.08 H new ATOM 0 HG22 VAL A 108 -10.474 -3.987 -12.073 1.00 1.08 H new ATOM 0 HG23 VAL A 108 -10.107 -5.713 -12.307 1.00 1.08 H new ATOM 1629 N PRO A 109 -6.324 -2.364 -11.957 1.00 0.39 N ATOM 1630 CA PRO A 109 -5.163 -1.686 -11.400 1.00 0.35 C ATOM 1631 C PRO A 109 -5.130 -1.708 -9.877 1.00 0.30 C ATOM 1632 O PRO A 109 -6.170 -1.721 -9.198 1.00 0.34 O ATOM 1633 CB PRO A 109 -5.297 -0.242 -11.863 1.00 0.43 C ATOM 1634 CG PRO A 109 -6.453 -0.205 -12.796 1.00 0.51 C ATOM 1635 CD PRO A 109 -7.301 -1.405 -12.482 1.00 0.48 C ATOM 0 HA PRO A 109 -4.250 -2.181 -11.731 1.00 0.35 H new ATOM 0 HB2 PRO A 109 -5.461 0.424 -11.016 1.00 0.43 H new ATOM 0 HB3 PRO A 109 -4.386 0.092 -12.360 1.00 0.43 H new ATOM 0 HG2 PRO A 109 -7.023 0.715 -12.669 1.00 0.51 H new ATOM 0 HG3 PRO A 109 -6.115 -0.231 -13.832 1.00 0.51 H new ATOM 0 HD2 PRO A 109 -8.074 -1.173 -11.750 1.00 0.48 H new ATOM 0 HD3 PRO A 109 -7.806 -1.787 -13.369 1.00 0.48 H new ATOM 1643 N ILE A 110 -3.921 -1.641 -9.356 1.00 0.27 N ATOM 1644 CA ILE A 110 -3.700 -1.739 -7.919 1.00 0.25 C ATOM 1645 C ILE A 110 -2.952 -0.517 -7.403 1.00 0.23 C ATOM 1646 O ILE A 110 -2.075 0.027 -8.081 1.00 0.26 O ATOM 1647 CB ILE A 110 -2.939 -3.045 -7.534 1.00 0.30 C ATOM 1648 CG1 ILE A 110 -3.922 -4.190 -7.255 1.00 0.46 C ATOM 1649 CG2 ILE A 110 -2.027 -2.843 -6.327 1.00 0.45 C ATOM 1650 CD1 ILE A 110 -4.594 -4.759 -8.485 1.00 0.96 C ATOM 0 H ILE A 110 -3.070 -1.519 -9.905 1.00 0.27 H new ATOM 0 HA ILE A 110 -4.681 -1.777 -7.444 1.00 0.25 H new ATOM 0 HB ILE A 110 -2.315 -3.308 -8.388 1.00 0.30 H new ATOM 0 HG12 ILE A 110 -3.389 -4.992 -6.745 1.00 0.46 H new ATOM 0 HG13 ILE A 110 -4.691 -3.832 -6.570 1.00 0.46 H new ATOM 0 HG21 ILE A 110 -1.518 -3.778 -6.095 1.00 0.45 H new ATOM 0 HG22 ILE A 110 -1.288 -2.074 -6.554 1.00 0.45 H new ATOM 0 HG23 ILE A 110 -2.623 -2.532 -5.469 1.00 0.45 H new ATOM 0 HD11 ILE A 110 -5.270 -5.562 -8.192 1.00 0.96 H new ATOM 0 HD12 ILE A 110 -5.159 -3.974 -8.987 1.00 0.96 H new ATOM 0 HD13 ILE A 110 -3.837 -5.152 -9.164 1.00 0.96 H new ATOM 1662 N ILE A 111 -3.308 -0.087 -6.205 1.00 0.23 N ATOM 1663 CA ILE A 111 -2.650 1.040 -5.574 1.00 0.25 C ATOM 1664 C ILE A 111 -1.935 0.538 -4.357 1.00 0.32 C ATOM 1665 O ILE A 111 -2.362 -0.420 -3.756 1.00 0.71 O ATOM 1666 CB ILE A 111 -3.645 2.148 -5.145 1.00 0.29 C ATOM 1667 CG1 ILE A 111 -4.337 2.773 -6.347 1.00 0.35 C ATOM 1668 CG2 ILE A 111 -2.963 3.225 -4.319 1.00 0.34 C ATOM 1669 CD1 ILE A 111 -5.544 1.997 -6.787 1.00 0.53 C ATOM 0 H ILE A 111 -4.054 -0.505 -5.648 1.00 0.23 H new ATOM 0 HA ILE A 111 -1.965 1.480 -6.298 1.00 0.25 H new ATOM 0 HB ILE A 111 -4.401 1.667 -4.524 1.00 0.29 H new ATOM 0 HG12 ILE A 111 -4.635 3.792 -6.101 1.00 0.35 H new ATOM 0 HG13 ILE A 111 -3.631 2.839 -7.174 1.00 0.35 H new ATOM 0 HG21 ILE A 111 -3.693 3.984 -4.037 1.00 0.34 H new ATOM 0 HG22 ILE A 111 -2.537 2.779 -3.420 1.00 0.34 H new ATOM 0 HG23 ILE A 111 -2.169 3.686 -4.906 1.00 0.34 H new ATOM 0 HD11 ILE A 111 -5.998 2.488 -7.648 1.00 0.53 H new ATOM 0 HD12 ILE A 111 -5.246 0.985 -7.062 1.00 0.53 H new ATOM 0 HD13 ILE A 111 -6.266 1.953 -5.971 1.00 0.53 H new ATOM 1681 N VAL A 112 -0.832 1.142 -4.024 1.00 0.21 N ATOM 1682 CA VAL A 112 -0.163 0.837 -2.807 1.00 0.20 C ATOM 1683 C VAL A 112 -0.265 2.012 -1.876 1.00 0.20 C ATOM 1684 O VAL A 112 0.020 3.143 -2.259 1.00 0.23 O ATOM 1685 CB VAL A 112 1.308 0.549 -3.040 1.00 0.20 C ATOM 1686 CG1 VAL A 112 1.747 -0.598 -2.194 1.00 0.20 C ATOM 1687 CG2 VAL A 112 1.579 0.241 -4.497 1.00 0.22 C ATOM 0 H VAL A 112 -0.377 1.857 -4.591 1.00 0.21 H new ATOM 0 HA VAL A 112 -0.636 -0.047 -2.380 1.00 0.20 H new ATOM 0 HB VAL A 112 1.873 1.440 -2.765 1.00 0.20 H new ATOM 0 HG11 VAL A 112 2.804 -0.796 -2.370 1.00 0.20 H new ATOM 0 HG12 VAL A 112 1.593 -0.355 -1.143 1.00 0.20 H new ATOM 0 HG13 VAL A 112 1.165 -1.483 -2.451 1.00 0.20 H new ATOM 0 HG21 VAL A 112 2.641 0.039 -4.635 1.00 0.22 H new ATOM 0 HG22 VAL A 112 1.001 -0.633 -4.798 1.00 0.22 H new ATOM 0 HG23 VAL A 112 1.290 1.095 -5.109 1.00 0.22 H new ATOM 1697 N ALA A 113 -0.656 1.747 -0.663 1.00 0.19 N ATOM 1698 CA ALA A 113 -0.746 2.778 0.322 1.00 0.21 C ATOM 1699 C ALA A 113 0.260 2.481 1.398 1.00 0.21 C ATOM 1700 O ALA A 113 -0.034 1.812 2.381 1.00 0.23 O ATOM 1701 CB ALA A 113 -2.153 2.861 0.889 1.00 0.25 C ATOM 0 H ALA A 113 -0.919 0.818 -0.334 1.00 0.19 H new ATOM 0 HA ALA A 113 -0.529 3.747 -0.126 1.00 0.21 H new ATOM 0 HB1 ALA A 113 -2.198 3.653 1.637 1.00 0.25 H new ATOM 0 HB2 ALA A 113 -2.857 3.080 0.086 1.00 0.25 H new ATOM 0 HB3 ALA A 113 -2.416 1.910 1.352 1.00 0.25 H new ATOM 1707 N ILE A 114 1.458 2.967 1.174 1.00 0.21 N ATOM 1708 CA ILE A 114 2.538 2.826 2.120 1.00 0.24 C ATOM 1709 C ILE A 114 2.292 3.709 3.337 1.00 0.25 C ATOM 1710 O ILE A 114 2.614 4.896 3.322 1.00 0.30 O ATOM 1711 CB ILE A 114 3.873 3.206 1.460 1.00 0.28 C ATOM 1712 CG1 ILE A 114 4.006 2.524 0.093 1.00 0.32 C ATOM 1713 CG2 ILE A 114 5.015 2.809 2.362 1.00 0.36 C ATOM 1714 CD1 ILE A 114 5.261 2.907 -0.664 1.00 0.85 C ATOM 0 H ILE A 114 1.712 3.474 0.326 1.00 0.21 H new ATOM 0 HA ILE A 114 2.585 1.786 2.442 1.00 0.24 H new ATOM 0 HB ILE A 114 3.901 4.285 1.306 1.00 0.28 H new ATOM 0 HG12 ILE A 114 3.994 1.443 0.234 1.00 0.32 H new ATOM 0 HG13 ILE A 114 3.136 2.776 -0.514 1.00 0.32 H new ATOM 0 HG21 ILE A 114 5.961 3.079 1.892 1.00 0.36 H new ATOM 0 HG22 ILE A 114 4.922 3.328 3.316 1.00 0.36 H new ATOM 0 HG23 ILE A 114 4.988 1.732 2.530 1.00 0.36 H new ATOM 0 HD11 ILE A 114 5.283 2.384 -1.620 1.00 0.85 H new ATOM 0 HD12 ILE A 114 5.267 3.983 -0.839 1.00 0.85 H new ATOM 0 HD13 ILE A 114 6.138 2.630 -0.079 1.00 0.85 H new ATOM 1726 N ASN A 115 1.711 3.133 4.384 1.00 0.26 N ATOM 1727 CA ASN A 115 1.325 3.907 5.556 1.00 0.31 C ATOM 1728 C ASN A 115 2.419 3.845 6.614 1.00 0.37 C ATOM 1729 O ASN A 115 3.321 3.007 6.529 1.00 0.39 O ATOM 1730 CB ASN A 115 -0.004 3.391 6.122 1.00 0.39 C ATOM 1731 CG ASN A 115 -0.539 4.248 7.256 1.00 0.47 C ATOM 1732 OD1 ASN A 115 -0.340 5.468 7.286 1.00 0.60 O ATOM 1733 ND2 ASN A 115 -1.202 3.617 8.208 1.00 0.69 N ATOM 0 H ASN A 115 1.498 2.137 4.444 1.00 0.26 H new ATOM 0 HA ASN A 115 1.191 4.947 5.259 1.00 0.31 H new ATOM 0 HB2 ASN A 115 -0.743 3.354 5.322 1.00 0.39 H new ATOM 0 HB3 ASN A 115 0.131 2.370 6.478 1.00 0.39 H new ATOM 0 HD21 ASN A 115 -1.570 4.138 9.004 1.00 0.69 H new ATOM 0 HD22 ASN A 115 -1.346 2.609 8.147 1.00 0.69 H new ATOM 1740 N LYS A 116 2.347 4.752 7.590 1.00 0.49 N ATOM 1741 CA LYS A 116 3.334 4.839 8.666 1.00 0.62 C ATOM 1742 C LYS A 116 4.707 5.166 8.088 1.00 0.57 C ATOM 1743 O LYS A 116 5.744 4.921 8.702 1.00 0.67 O ATOM 1744 CB LYS A 116 3.357 3.541 9.479 1.00 0.78 C ATOM 1745 CG LYS A 116 1.997 3.197 10.064 1.00 1.15 C ATOM 1746 CD LYS A 116 1.987 1.841 10.740 1.00 1.50 C ATOM 1747 CE LYS A 116 0.576 1.458 11.150 1.00 2.05 C ATOM 1748 NZ LYS A 116 0.536 0.144 11.838 1.00 2.61 N ATOM 0 H LYS A 116 1.603 5.446 7.656 1.00 0.49 H new ATOM 0 HA LYS A 116 3.054 5.644 9.345 1.00 0.62 H new ATOM 0 HB2 LYS A 116 3.692 2.723 8.842 1.00 0.78 H new ATOM 0 HB3 LYS A 116 4.083 3.635 10.286 1.00 0.78 H new ATOM 0 HG2 LYS A 116 1.710 3.962 10.786 1.00 1.15 H new ATOM 0 HG3 LYS A 116 1.249 3.211 9.271 1.00 1.15 H new ATOM 0 HD2 LYS A 116 2.392 1.088 10.063 1.00 1.50 H new ATOM 0 HD3 LYS A 116 2.633 1.861 11.617 1.00 1.50 H new ATOM 0 HE2 LYS A 116 0.169 2.225 11.809 1.00 2.05 H new ATOM 0 HE3 LYS A 116 -0.062 1.425 10.267 1.00 2.05 H new ATOM 0 HZ1 LYS A 116 -0.262 -0.415 11.473 1.00 2.61 H new ATOM 0 HZ2 LYS A 116 1.425 -0.367 11.663 1.00 2.61 H new ATOM 0 HZ3 LYS A 116 0.417 0.291 12.861 1.00 2.61 H new ATOM 1762 N MET A 117 4.674 5.756 6.898 1.00 0.58 N ATOM 1763 CA MET A 117 5.859 6.173 6.174 1.00 0.69 C ATOM 1764 C MET A 117 6.328 7.539 6.693 1.00 0.81 C ATOM 1765 O MET A 117 7.322 8.102 6.241 1.00 1.03 O ATOM 1766 CB MET A 117 5.504 6.188 4.680 1.00 0.85 C ATOM 1767 CG MET A 117 6.225 7.227 3.865 1.00 0.81 C ATOM 1768 SD MET A 117 7.925 6.756 3.470 1.00 1.37 S ATOM 1769 CE MET A 117 7.664 5.254 2.529 1.00 0.65 C ATOM 0 H MET A 117 3.805 5.959 6.405 1.00 0.58 H new ATOM 0 HA MET A 117 6.692 5.487 6.326 1.00 0.69 H new ATOM 0 HB2 MET A 117 5.720 5.205 4.261 1.00 0.85 H new ATOM 0 HB3 MET A 117 4.431 6.349 4.579 1.00 0.85 H new ATOM 0 HG2 MET A 117 5.677 7.400 2.939 1.00 0.81 H new ATOM 0 HG3 MET A 117 6.232 8.170 4.412 1.00 0.81 H new ATOM 0 HE1 MET A 117 8.381 5.209 1.709 1.00 0.65 H new ATOM 0 HE2 MET A 117 7.800 4.389 3.179 1.00 0.65 H new ATOM 0 HE3 MET A 117 6.651 5.249 2.126 1.00 0.65 H new ATOM 1779 N ASP A 118 5.597 8.036 7.687 1.00 0.84 N ATOM 1780 CA ASP A 118 5.943 9.259 8.433 1.00 1.06 C ATOM 1781 C ASP A 118 7.371 9.239 8.993 1.00 1.10 C ATOM 1782 O ASP A 118 7.836 10.233 9.557 1.00 1.49 O ATOM 1783 CB ASP A 118 4.952 9.480 9.583 1.00 1.25 C ATOM 1784 CG ASP A 118 4.752 8.244 10.446 1.00 1.61 C ATOM 1785 OD1 ASP A 118 5.715 7.807 11.113 1.00 2.45 O ATOM 1786 OD2 ASP A 118 3.619 7.717 10.470 1.00 1.73 O ATOM 0 H ASP A 118 4.733 7.599 8.008 1.00 0.84 H new ATOM 0 HA ASP A 118 5.884 10.080 7.718 1.00 1.06 H new ATOM 0 HB2 ASP A 118 5.308 10.299 10.209 1.00 1.25 H new ATOM 0 HB3 ASP A 118 3.991 9.788 9.172 1.00 1.25 H new ATOM 1791 N LYS A 119 8.048 8.108 8.864 1.00 1.11 N ATOM 1792 CA LYS A 119 9.472 8.021 9.145 1.00 1.34 C ATOM 1793 C LYS A 119 10.213 8.734 8.011 1.00 1.43 C ATOM 1794 O LYS A 119 9.575 9.378 7.181 1.00 1.78 O ATOM 1795 CB LYS A 119 9.888 6.541 9.208 1.00 1.81 C ATOM 1796 CG LYS A 119 8.920 5.656 9.978 1.00 1.99 C ATOM 1797 CD LYS A 119 8.764 6.100 11.422 1.00 2.61 C ATOM 1798 CE LYS A 119 7.746 5.243 12.155 1.00 3.15 C ATOM 1799 NZ LYS A 119 6.422 5.245 11.477 1.00 3.70 N ATOM 0 H LYS A 119 7.628 7.229 8.563 1.00 1.11 H new ATOM 0 HA LYS A 119 9.713 8.488 10.100 1.00 1.34 H new ATOM 0 HB2 LYS A 119 9.984 6.158 8.192 1.00 1.81 H new ATOM 0 HB3 LYS A 119 10.873 6.471 9.669 1.00 1.81 H new ATOM 0 HG2 LYS A 119 7.947 5.672 9.487 1.00 1.99 H new ATOM 0 HG3 LYS A 119 9.273 4.625 9.952 1.00 1.99 H new ATOM 0 HD2 LYS A 119 9.727 6.039 11.930 1.00 2.61 H new ATOM 0 HD3 LYS A 119 8.453 7.144 11.452 1.00 2.61 H new ATOM 0 HE2 LYS A 119 8.116 4.220 12.224 1.00 3.15 H new ATOM 0 HE3 LYS A 119 7.631 5.610 13.175 1.00 3.15 H new ATOM 0 HZ1 LYS A 119 5.716 4.792 12.092 1.00 3.70 H new ATOM 0 HZ2 LYS A 119 6.133 6.225 11.282 1.00 3.70 H new ATOM 0 HZ3 LYS A 119 6.489 4.719 10.582 1.00 3.70 H new ATOM 1813 N PRO A 120 11.549 8.682 7.941 1.00 1.71 N ATOM 1814 CA PRO A 120 12.239 9.102 6.728 1.00 2.15 C ATOM 1815 C PRO A 120 11.720 8.305 5.534 1.00 2.06 C ATOM 1816 O PRO A 120 11.273 8.876 4.539 1.00 2.57 O ATOM 1817 CB PRO A 120 13.708 8.776 6.998 1.00 2.65 C ATOM 1818 CG PRO A 120 13.828 8.689 8.483 1.00 2.67 C ATOM 1819 CD PRO A 120 12.480 8.278 9.008 1.00 2.11 C ATOM 0 HA PRO A 120 12.087 10.156 6.495 1.00 2.15 H new ATOM 0 HB2 PRO A 120 13.995 7.837 6.525 1.00 2.65 H new ATOM 0 HB3 PRO A 120 14.362 9.549 6.596 1.00 2.65 H new ATOM 0 HG2 PRO A 120 14.590 7.963 8.767 1.00 2.67 H new ATOM 0 HG3 PRO A 120 14.129 9.649 8.903 1.00 2.67 H new ATOM 0 HD2 PRO A 120 12.433 7.205 9.194 1.00 2.11 H new ATOM 0 HD3 PRO A 120 12.249 8.775 9.950 1.00 2.11 H new ATOM 1827 N GLU A 121 11.761 6.976 5.707 1.00 1.72 N ATOM 1828 CA GLU A 121 11.276 5.971 4.761 1.00 1.80 C ATOM 1829 C GLU A 121 12.051 4.689 5.025 1.00 1.43 C ATOM 1830 O GLU A 121 13.282 4.670 4.970 1.00 2.12 O ATOM 1831 CB GLU A 121 11.421 6.413 3.296 1.00 2.45 C ATOM 1832 CG GLU A 121 12.848 6.552 2.784 1.00 2.79 C ATOM 1833 CD GLU A 121 12.911 7.216 1.422 1.00 3.60 C ATOM 1834 OE1 GLU A 121 11.862 7.311 0.745 1.00 4.03 O ATOM 1835 OE2 GLU A 121 14.011 7.657 1.023 1.00 3.92 O ATOM 0 H GLU A 121 12.152 6.557 6.551 1.00 1.72 H new ATOM 0 HA GLU A 121 10.207 5.820 4.913 1.00 1.80 H new ATOM 0 HB2 GLU A 121 10.897 5.694 2.666 1.00 2.45 H new ATOM 0 HB3 GLU A 121 10.916 7.371 3.174 1.00 2.45 H new ATOM 0 HG2 GLU A 121 13.432 7.135 3.497 1.00 2.79 H new ATOM 0 HG3 GLU A 121 13.308 5.566 2.726 1.00 2.79 H new ATOM 1842 N ALA A 122 11.334 3.642 5.399 1.00 0.99 N ATOM 1843 CA ALA A 122 11.966 2.366 5.709 1.00 1.09 C ATOM 1844 C ALA A 122 12.712 1.832 4.498 1.00 0.90 C ATOM 1845 O ALA A 122 13.936 1.756 4.509 1.00 1.24 O ATOM 1846 CB ALA A 122 10.947 1.361 6.212 1.00 1.47 C ATOM 0 H ALA A 122 10.319 3.648 5.496 1.00 0.99 H new ATOM 0 HA ALA A 122 12.690 2.529 6.508 1.00 1.09 H new ATOM 0 HB1 ALA A 122 11.446 0.418 6.436 1.00 1.47 H new ATOM 0 HB2 ALA A 122 10.473 1.744 7.116 1.00 1.47 H new ATOM 0 HB3 ALA A 122 10.189 1.198 5.446 1.00 1.47 H new ATOM 1852 N ASN A 123 11.966 1.472 3.464 1.00 0.59 N ATOM 1853 CA ASN A 123 12.552 1.113 2.173 1.00 0.57 C ATOM 1854 C ASN A 123 11.459 0.758 1.171 1.00 0.46 C ATOM 1855 O ASN A 123 11.138 -0.418 0.989 1.00 0.52 O ATOM 1856 CB ASN A 123 13.522 -0.069 2.301 1.00 0.85 C ATOM 1857 CG ASN A 123 14.368 -0.259 1.055 1.00 1.28 C ATOM 1858 OD1 ASN A 123 13.956 -0.914 0.104 1.00 1.77 O ATOM 1859 ND2 ASN A 123 15.563 0.309 1.060 1.00 1.84 N ATOM 0 H ASN A 123 10.948 1.419 3.491 1.00 0.59 H new ATOM 0 HA ASN A 123 13.108 1.981 1.819 1.00 0.57 H new ATOM 0 HB2 ASN A 123 14.175 0.091 3.159 1.00 0.85 H new ATOM 0 HB3 ASN A 123 12.957 -0.980 2.496 1.00 0.85 H new ATOM 0 HD21 ASN A 123 16.178 0.210 0.253 1.00 1.84 H new ATOM 0 HD22 ASN A 123 15.869 0.846 1.871 1.00 1.84 H new ATOM 1866 N PRO A 124 10.827 1.777 0.557 1.00 0.41 N ATOM 1867 CA PRO A 124 9.866 1.588 -0.525 1.00 0.47 C ATOM 1868 C PRO A 124 10.305 0.548 -1.561 1.00 0.42 C ATOM 1869 O PRO A 124 9.584 -0.403 -1.794 1.00 0.40 O ATOM 1870 CB PRO A 124 9.760 2.977 -1.177 1.00 0.66 C ATOM 1871 CG PRO A 124 10.649 3.887 -0.386 1.00 0.70 C ATOM 1872 CD PRO A 124 10.934 3.195 0.915 1.00 0.46 C ATOM 0 HA PRO A 124 8.921 1.206 -0.138 1.00 0.47 H new ATOM 0 HB2 PRO A 124 10.072 2.941 -2.221 1.00 0.66 H new ATOM 0 HB3 PRO A 124 8.730 3.334 -1.165 1.00 0.66 H new ATOM 0 HG2 PRO A 124 11.574 4.089 -0.927 1.00 0.70 H new ATOM 0 HG3 PRO A 124 10.164 4.848 -0.214 1.00 0.70 H new ATOM 0 HD2 PRO A 124 11.925 3.442 1.297 1.00 0.46 H new ATOM 0 HD3 PRO A 124 10.216 3.473 1.687 1.00 0.46 H new ATOM 1880 N ASP A 125 11.491 0.725 -2.150 1.00 0.45 N ATOM 1881 CA ASP A 125 11.995 -0.148 -3.238 1.00 0.45 C ATOM 1882 C ASP A 125 11.823 -1.632 -2.935 1.00 0.38 C ATOM 1883 O ASP A 125 11.324 -2.374 -3.775 1.00 0.33 O ATOM 1884 CB ASP A 125 13.467 0.153 -3.478 1.00 0.56 C ATOM 1885 CG ASP A 125 14.119 -0.738 -4.513 1.00 1.16 C ATOM 1886 OD1 ASP A 125 13.827 -0.567 -5.717 1.00 1.28 O ATOM 1887 OD2 ASP A 125 14.893 -1.643 -4.126 1.00 2.00 O ATOM 0 H ASP A 125 12.135 1.473 -1.894 1.00 0.45 H new ATOM 0 HA ASP A 125 11.403 0.067 -4.128 1.00 0.45 H new ATOM 0 HB2 ASP A 125 13.568 1.192 -3.793 1.00 0.56 H new ATOM 0 HB3 ASP A 125 14.006 0.052 -2.536 1.00 0.56 H new ATOM 1892 N ARG A 126 12.235 -2.062 -1.749 1.00 0.40 N ATOM 1893 CA ARG A 126 12.038 -3.449 -1.336 1.00 0.40 C ATOM 1894 C ARG A 126 10.577 -3.833 -1.467 1.00 0.34 C ATOM 1895 O ARG A 126 10.222 -4.796 -2.146 1.00 0.32 O ATOM 1896 CB ARG A 126 12.454 -3.643 0.115 1.00 0.47 C ATOM 1897 CG ARG A 126 12.230 -5.060 0.603 1.00 0.58 C ATOM 1898 CD ARG A 126 13.024 -6.045 -0.228 1.00 1.25 C ATOM 1899 NE ARG A 126 13.115 -7.362 0.398 1.00 1.38 N ATOM 1900 CZ ARG A 126 14.202 -8.130 0.335 1.00 2.08 C ATOM 1901 NH1 ARG A 126 15.263 -7.713 -0.345 1.00 2.99 N ATOM 1902 NH2 ARG A 126 14.228 -9.309 0.942 1.00 2.15 N ATOM 0 H ARG A 126 12.705 -1.476 -1.059 1.00 0.40 H new ATOM 0 HA ARG A 126 12.651 -4.078 -1.981 1.00 0.40 H new ATOM 0 HB2 ARG A 126 13.508 -3.388 0.224 1.00 0.47 H new ATOM 0 HB3 ARG A 126 11.893 -2.953 0.745 1.00 0.47 H new ATOM 0 HG2 ARG A 126 12.524 -5.140 1.650 1.00 0.58 H new ATOM 0 HG3 ARG A 126 11.169 -5.304 0.550 1.00 0.58 H new ATOM 0 HD2 ARG A 126 12.560 -6.144 -1.209 1.00 1.25 H new ATOM 0 HD3 ARG A 126 14.028 -5.653 -0.389 1.00 1.25 H new ATOM 0 HE ARG A 126 12.305 -7.711 0.910 1.00 1.38 H new ATOM 0 HH11 ARG A 126 15.244 -6.809 -0.816 1.00 2.99 H new ATOM 0 HH12 ARG A 126 16.098 -8.297 -0.396 1.00 2.99 H new ATOM 0 HH21 ARG A 126 13.412 -9.633 1.461 1.00 2.15 H new ATOM 0 HH22 ARG A 126 15.064 -9.891 0.889 1.00 2.15 H new ATOM 1916 N VAL A 127 9.749 -3.060 -0.791 1.00 0.34 N ATOM 1917 CA VAL A 127 8.300 -3.231 -0.837 1.00 0.34 C ATOM 1918 C VAL A 127 7.816 -3.223 -2.287 1.00 0.31 C ATOM 1919 O VAL A 127 7.068 -4.093 -2.716 1.00 0.33 O ATOM 1920 CB VAL A 127 7.582 -2.105 -0.058 1.00 0.37 C ATOM 1921 CG1 VAL A 127 6.072 -2.300 -0.087 1.00 0.39 C ATOM 1922 CG2 VAL A 127 8.089 -2.043 1.375 1.00 0.40 C ATOM 0 H VAL A 127 10.057 -2.294 -0.192 1.00 0.34 H new ATOM 0 HA VAL A 127 8.062 -4.188 -0.372 1.00 0.34 H new ATOM 0 HB VAL A 127 7.808 -1.156 -0.545 1.00 0.37 H new ATOM 0 HG11 VAL A 127 5.590 -1.495 0.468 1.00 0.39 H new ATOM 0 HG12 VAL A 127 5.723 -2.288 -1.120 1.00 0.39 H new ATOM 0 HG13 VAL A 127 5.820 -3.257 0.370 1.00 0.39 H new ATOM 0 HG21 VAL A 127 7.573 -1.245 1.909 1.00 0.40 H new ATOM 0 HG22 VAL A 127 7.897 -2.995 1.870 1.00 0.40 H new ATOM 0 HG23 VAL A 127 9.161 -1.845 1.373 1.00 0.40 H new ATOM 1932 N MET A 128 8.302 -2.247 -3.042 1.00 0.28 N ATOM 1933 CA MET A 128 7.902 -2.047 -4.428 1.00 0.26 C ATOM 1934 C MET A 128 8.295 -3.236 -5.300 1.00 0.25 C ATOM 1935 O MET A 128 7.534 -3.644 -6.182 1.00 0.25 O ATOM 1936 CB MET A 128 8.526 -0.758 -4.979 1.00 0.25 C ATOM 1937 CG MET A 128 8.167 0.485 -4.182 1.00 0.27 C ATOM 1938 SD MET A 128 8.971 1.980 -4.788 1.00 0.30 S ATOM 1939 CE MET A 128 8.149 2.181 -6.362 1.00 0.29 C ATOM 0 H MET A 128 8.987 -1.569 -2.709 1.00 0.28 H new ATOM 0 HA MET A 128 6.816 -1.959 -4.452 1.00 0.26 H new ATOM 0 HB2 MET A 128 9.610 -0.868 -4.995 1.00 0.25 H new ATOM 0 HB3 MET A 128 8.204 -0.622 -6.012 1.00 0.25 H new ATOM 0 HG2 MET A 128 7.086 0.626 -4.209 1.00 0.27 H new ATOM 0 HG3 MET A 128 8.442 0.331 -3.139 1.00 0.27 H new ATOM 0 HE1 MET A 128 8.888 2.397 -7.133 1.00 0.29 H new ATOM 0 HE2 MET A 128 7.618 1.263 -6.615 1.00 0.29 H new ATOM 0 HE3 MET A 128 7.439 3.005 -6.299 1.00 0.29 H new ATOM 1949 N GLN A 129 9.468 -3.805 -5.048 1.00 0.25 N ATOM 1950 CA GLN A 129 9.925 -4.954 -5.817 1.00 0.26 C ATOM 1951 C GLN A 129 9.166 -6.191 -5.401 1.00 0.29 C ATOM 1952 O GLN A 129 9.031 -7.135 -6.173 1.00 0.31 O ATOM 1953 CB GLN A 129 11.425 -5.192 -5.654 1.00 0.29 C ATOM 1954 CG GLN A 129 12.288 -4.277 -6.502 1.00 0.31 C ATOM 1955 CD GLN A 129 13.752 -4.653 -6.435 1.00 0.46 C ATOM 1956 OE1 GLN A 129 14.482 -4.203 -5.560 1.00 1.16 O ATOM 1957 NE2 GLN A 129 14.199 -5.470 -7.378 1.00 1.28 N ATOM 0 H GLN A 129 10.114 -3.492 -4.324 1.00 0.25 H new ATOM 0 HA GLN A 129 9.734 -4.739 -6.868 1.00 0.26 H new ATOM 0 HB2 GLN A 129 11.692 -5.059 -4.606 1.00 0.29 H new ATOM 0 HB3 GLN A 129 11.649 -6.227 -5.911 1.00 0.29 H new ATOM 0 HG2 GLN A 129 11.951 -4.318 -7.538 1.00 0.31 H new ATOM 0 HG3 GLN A 129 12.163 -3.247 -6.167 1.00 0.31 H new ATOM 0 HE21 GLN A 129 13.561 -5.824 -8.090 1.00 1.28 H new ATOM 0 HE22 GLN A 129 15.181 -5.744 -7.391 1.00 1.28 H new ATOM 1966 N GLU A 130 8.666 -6.183 -4.182 1.00 0.33 N ATOM 1967 CA GLU A 130 7.847 -7.268 -3.708 1.00 0.38 C ATOM 1968 C GLU A 130 6.461 -7.192 -4.349 1.00 0.33 C ATOM 1969 O GLU A 130 5.841 -8.218 -4.609 1.00 0.36 O ATOM 1970 CB GLU A 130 7.792 -7.263 -2.177 1.00 0.48 C ATOM 1971 CG GLU A 130 6.398 -7.208 -1.585 1.00 0.71 C ATOM 1972 CD GLU A 130 6.376 -7.681 -0.148 1.00 1.18 C ATOM 1973 OE1 GLU A 130 6.549 -6.843 0.762 1.00 2.02 O ATOM 1974 OE2 GLU A 130 6.167 -8.891 0.085 1.00 1.46 O ATOM 0 H GLU A 130 8.815 -5.435 -3.505 1.00 0.33 H new ATOM 0 HA GLU A 130 8.288 -8.220 -4.004 1.00 0.38 H new ATOM 0 HB2 GLU A 130 8.292 -8.159 -1.808 1.00 0.48 H new ATOM 0 HB3 GLU A 130 8.360 -6.407 -1.811 1.00 0.48 H new ATOM 0 HG2 GLU A 130 6.022 -6.186 -1.637 1.00 0.71 H new ATOM 0 HG3 GLU A 130 5.726 -7.826 -2.181 1.00 0.71 H new ATOM 1981 N LEU A 131 5.997 -5.983 -4.669 1.00 0.29 N ATOM 1982 CA LEU A 131 4.731 -5.837 -5.377 1.00 0.29 C ATOM 1983 C LEU A 131 4.878 -6.340 -6.781 1.00 0.24 C ATOM 1984 O LEU A 131 4.047 -7.094 -7.287 1.00 0.25 O ATOM 1985 CB LEU A 131 4.262 -4.385 -5.407 1.00 0.32 C ATOM 1986 CG LEU A 131 3.360 -4.004 -4.250 1.00 0.48 C ATOM 1987 CD1 LEU A 131 2.212 -4.976 -4.179 1.00 0.34 C ATOM 1988 CD2 LEU A 131 4.133 -4.022 -2.959 1.00 1.06 C ATOM 0 H LEU A 131 6.472 -5.106 -4.452 1.00 0.29 H new ATOM 0 HA LEU A 131 3.983 -6.422 -4.843 1.00 0.29 H new ATOM 0 HB2 LEU A 131 5.135 -3.732 -5.404 1.00 0.32 H new ATOM 0 HB3 LEU A 131 3.732 -4.204 -6.342 1.00 0.32 H new ATOM 0 HG LEU A 131 2.976 -2.996 -4.407 1.00 0.48 H new ATOM 0 HD11 LEU A 131 1.559 -4.708 -3.349 1.00 0.34 H new ATOM 0 HD12 LEU A 131 1.647 -4.941 -5.111 1.00 0.34 H new ATOM 0 HD13 LEU A 131 2.598 -5.984 -4.026 1.00 0.34 H new ATOM 0 HD21 LEU A 131 3.473 -3.746 -2.136 1.00 1.06 H new ATOM 0 HD22 LEU A 131 4.530 -5.022 -2.787 1.00 1.06 H new ATOM 0 HD23 LEU A 131 4.956 -3.310 -3.018 1.00 1.06 H new ATOM 2000 N MET A 132 5.964 -5.945 -7.399 1.00 0.21 N ATOM 2001 CA MET A 132 6.261 -6.381 -8.737 1.00 0.22 C ATOM 2002 C MET A 132 6.714 -7.833 -8.717 1.00 0.26 C ATOM 2003 O MET A 132 6.879 -8.457 -9.765 1.00 0.32 O ATOM 2004 CB MET A 132 7.308 -5.468 -9.355 1.00 0.23 C ATOM 2005 CG MET A 132 8.722 -5.690 -8.849 1.00 0.26 C ATOM 2006 SD MET A 132 9.661 -6.753 -9.949 1.00 0.35 S ATOM 2007 CE MET A 132 9.091 -6.068 -11.494 1.00 0.32 C ATOM 0 H MET A 132 6.659 -5.319 -6.992 1.00 0.21 H new ATOM 0 HA MET A 132 5.365 -6.322 -9.354 1.00 0.22 H new ATOM 0 HB2 MET A 132 7.298 -5.606 -10.436 1.00 0.23 H new ATOM 0 HB3 MET A 132 7.026 -4.433 -9.163 1.00 0.23 H new ATOM 0 HG2 MET A 132 9.228 -4.730 -8.751 1.00 0.26 H new ATOM 0 HG3 MET A 132 8.687 -6.135 -7.855 1.00 0.26 H new ATOM 0 HE1 MET A 132 9.810 -6.296 -12.281 1.00 0.32 H new ATOM 0 HE2 MET A 132 8.124 -6.502 -11.750 1.00 0.32 H new ATOM 0 HE3 MET A 132 8.989 -4.987 -11.397 1.00 0.32 H new ATOM 2017 N GLU A 133 6.875 -8.381 -7.511 1.00 0.27 N ATOM 2018 CA GLU A 133 7.158 -9.791 -7.353 1.00 0.35 C ATOM 2019 C GLU A 133 5.866 -10.560 -7.552 1.00 0.34 C ATOM 2020 O GLU A 133 5.869 -11.701 -8.013 1.00 0.40 O ATOM 2021 CB GLU A 133 7.765 -10.082 -5.976 1.00 0.44 C ATOM 2022 CG GLU A 133 8.168 -11.532 -5.774 1.00 0.67 C ATOM 2023 CD GLU A 133 8.854 -11.762 -4.446 1.00 1.30 C ATOM 2024 OE1 GLU A 133 10.073 -11.498 -4.343 1.00 1.55 O ATOM 2025 OE2 GLU A 133 8.179 -12.203 -3.492 1.00 2.18 O ATOM 0 H GLU A 133 6.812 -7.862 -6.635 1.00 0.27 H new ATOM 0 HA GLU A 133 7.893 -10.104 -8.095 1.00 0.35 H new ATOM 0 HB2 GLU A 133 8.641 -9.449 -5.835 1.00 0.44 H new ATOM 0 HB3 GLU A 133 7.044 -9.805 -5.206 1.00 0.44 H new ATOM 0 HG2 GLU A 133 7.282 -12.164 -5.836 1.00 0.67 H new ATOM 0 HG3 GLU A 133 8.834 -11.837 -6.581 1.00 0.67 H new ATOM 2032 N TYR A 134 4.739 -9.912 -7.233 1.00 0.30 N ATOM 2033 CA TYR A 134 3.445 -10.467 -7.586 1.00 0.34 C ATOM 2034 C TYR A 134 3.047 -9.958 -8.966 1.00 0.36 C ATOM 2035 O TYR A 134 1.903 -10.096 -9.401 1.00 0.44 O ATOM 2036 CB TYR A 134 2.428 -10.108 -6.523 1.00 0.32 C ATOM 2037 CG TYR A 134 2.948 -10.390 -5.137 1.00 0.37 C ATOM 2038 CD1 TYR A 134 3.239 -11.686 -4.740 1.00 0.51 C ATOM 2039 CD2 TYR A 134 3.219 -9.357 -4.255 1.00 0.37 C ATOM 2040 CE1 TYR A 134 3.774 -11.945 -3.497 1.00 0.61 C ATOM 2041 CE2 TYR A 134 3.767 -9.606 -3.014 1.00 0.49 C ATOM 2042 CZ TYR A 134 4.042 -10.903 -2.638 1.00 0.57 C ATOM 2043 OH TYR A 134 4.594 -11.161 -1.404 1.00 0.74 O ATOM 0 H TYR A 134 4.705 -9.020 -6.740 1.00 0.30 H new ATOM 0 HA TYR A 134 3.492 -11.555 -7.631 1.00 0.34 H new ATOM 0 HB2 TYR A 134 2.171 -9.052 -6.607 1.00 0.32 H new ATOM 0 HB3 TYR A 134 1.512 -10.674 -6.690 1.00 0.32 H new ATOM 0 HD1 TYR A 134 3.043 -12.505 -5.416 1.00 0.51 H new ATOM 0 HD2 TYR A 134 2.998 -8.340 -4.544 1.00 0.37 H new ATOM 0 HE1 TYR A 134 3.982 -12.962 -3.198 1.00 0.61 H new ATOM 0 HE2 TYR A 134 3.979 -8.789 -2.341 1.00 0.49 H new ATOM 0 HH TYR A 134 5.063 -10.363 -1.082 1.00 0.74 H new ATOM 2053 N ASN A 135 4.039 -9.362 -9.635 1.00 0.35 N ATOM 2054 CA ASN A 135 3.919 -8.849 -10.994 1.00 0.38 C ATOM 2055 C ASN A 135 2.997 -7.650 -11.013 1.00 0.42 C ATOM 2056 O ASN A 135 2.130 -7.513 -11.878 1.00 0.59 O ATOM 2057 CB ASN A 135 3.431 -9.933 -11.969 1.00 0.47 C ATOM 2058 CG ASN A 135 4.387 -11.106 -12.083 1.00 1.19 C ATOM 2059 OD1 ASN A 135 5.677 -10.848 -11.929 1.00 1.94 O flip ATOM 2060 ND2 ASN A 135 3.971 -12.239 -12.317 1.00 1.89 N flip ATOM 0 H ASN A 135 4.966 -9.222 -9.234 1.00 0.35 H new ATOM 0 HA ASN A 135 4.909 -8.539 -11.329 1.00 0.38 H new ATOM 0 HB2 ASN A 135 2.457 -10.296 -11.641 1.00 0.47 H new ATOM 0 HB3 ASN A 135 3.290 -9.490 -12.955 1.00 0.47 H new ATOM 0 HD21 ASN A 135 2.970 -12.402 -12.430 1.00 1.89 H new ATOM 0 HD22 ASN A 135 4.626 -13.016 -12.398 1.00 1.89 H new ATOM 2067 N LEU A 136 3.180 -6.803 -10.025 1.00 0.38 N ATOM 2068 CA LEU A 136 2.525 -5.527 -9.990 1.00 0.46 C ATOM 2069 C LEU A 136 3.575 -4.439 -10.023 1.00 0.39 C ATOM 2070 O LEU A 136 3.955 -3.872 -8.998 1.00 0.43 O ATOM 2071 CB LEU A 136 1.637 -5.400 -8.773 1.00 0.62 C ATOM 2072 CG LEU A 136 0.484 -6.393 -8.717 1.00 0.89 C ATOM 2073 CD1 LEU A 136 0.734 -7.434 -7.644 1.00 1.68 C ATOM 2074 CD2 LEU A 136 -0.834 -5.675 -8.482 1.00 1.44 C ATOM 0 H LEU A 136 3.788 -6.985 -9.226 1.00 0.38 H new ATOM 0 HA LEU A 136 1.878 -5.428 -10.861 1.00 0.46 H new ATOM 0 HB2 LEU A 136 2.249 -5.525 -7.880 1.00 0.62 H new ATOM 0 HB3 LEU A 136 1.230 -4.390 -8.742 1.00 0.62 H new ATOM 0 HG LEU A 136 0.420 -6.903 -9.678 1.00 0.89 H new ATOM 0 HD11 LEU A 136 -0.099 -8.136 -7.617 1.00 1.68 H new ATOM 0 HD12 LEU A 136 1.655 -7.972 -7.867 1.00 1.68 H new ATOM 0 HD13 LEU A 136 0.826 -6.943 -6.675 1.00 1.68 H new ATOM 0 HD21 LEU A 136 -1.644 -6.404 -8.446 1.00 1.44 H new ATOM 0 HD22 LEU A 136 -0.790 -5.134 -7.537 1.00 1.44 H new ATOM 0 HD23 LEU A 136 -1.015 -4.972 -9.295 1.00 1.44 H new ATOM 2086 N VAL A 137 4.086 -4.205 -11.216 1.00 0.33 N ATOM 2087 CA VAL A 137 5.133 -3.226 -11.422 1.00 0.27 C ATOM 2088 C VAL A 137 4.618 -1.825 -11.177 1.00 0.26 C ATOM 2089 O VAL A 137 3.610 -1.413 -11.743 1.00 0.27 O ATOM 2090 CB VAL A 137 5.717 -3.282 -12.846 1.00 0.27 C ATOM 2091 CG1 VAL A 137 7.199 -3.620 -12.794 1.00 0.61 C ATOM 2092 CG2 VAL A 137 4.952 -4.270 -13.715 1.00 0.49 C ATOM 0 H VAL A 137 3.788 -4.686 -12.065 1.00 0.33 H new ATOM 0 HA VAL A 137 5.920 -3.472 -10.709 1.00 0.27 H new ATOM 0 HB VAL A 137 5.608 -2.298 -13.303 1.00 0.27 H new ATOM 0 HG11 VAL A 137 7.600 -3.657 -13.807 1.00 0.61 H new ATOM 0 HG12 VAL A 137 7.727 -2.856 -12.222 1.00 0.61 H new ATOM 0 HG13 VAL A 137 7.334 -4.590 -12.315 1.00 0.61 H new ATOM 0 HG21 VAL A 137 5.387 -4.288 -14.714 1.00 0.49 H new ATOM 0 HG22 VAL A 137 5.013 -5.265 -13.275 1.00 0.49 H new ATOM 0 HG23 VAL A 137 3.907 -3.965 -13.779 1.00 0.49 H new ATOM 2102 N PRO A 138 5.298 -1.090 -10.297 1.00 0.25 N ATOM 2103 CA PRO A 138 5.032 0.326 -10.063 1.00 0.27 C ATOM 2104 C PRO A 138 4.961 1.129 -11.343 1.00 0.30 C ATOM 2105 O PRO A 138 5.516 0.743 -12.370 1.00 0.29 O ATOM 2106 CB PRO A 138 6.249 0.782 -9.287 1.00 0.30 C ATOM 2107 CG PRO A 138 6.703 -0.420 -8.556 1.00 0.29 C ATOM 2108 CD PRO A 138 6.360 -1.606 -9.419 1.00 0.27 C ATOM 0 HA PRO A 138 4.075 0.467 -9.560 1.00 0.27 H new ATOM 0 HB2 PRO A 138 7.026 1.156 -9.954 1.00 0.30 H new ATOM 0 HB3 PRO A 138 6.000 1.592 -8.601 1.00 0.30 H new ATOM 0 HG2 PRO A 138 7.776 -0.376 -8.367 1.00 0.29 H new ATOM 0 HG3 PRO A 138 6.211 -0.492 -7.586 1.00 0.29 H new ATOM 0 HD2 PRO A 138 7.222 -1.951 -9.990 1.00 0.27 H new ATOM 0 HD3 PRO A 138 6.014 -2.451 -8.823 1.00 0.27 H new ATOM 2116 N GLU A 139 4.315 2.269 -11.254 1.00 0.35 N ATOM 2117 CA GLU A 139 4.183 3.160 -12.397 1.00 0.40 C ATOM 2118 C GLU A 139 5.451 3.983 -12.554 1.00 0.42 C ATOM 2119 O GLU A 139 5.730 4.518 -13.624 1.00 0.50 O ATOM 2120 CB GLU A 139 2.967 4.071 -12.264 1.00 0.47 C ATOM 2121 CG GLU A 139 1.652 3.320 -12.168 1.00 0.80 C ATOM 2122 CD GLU A 139 0.468 4.212 -12.454 1.00 1.49 C ATOM 2123 OE1 GLU A 139 0.144 5.060 -11.598 1.00 1.98 O ATOM 2124 OE2 GLU A 139 -0.155 4.055 -13.524 1.00 2.01 O ATOM 0 H GLU A 139 3.869 2.607 -10.401 1.00 0.35 H new ATOM 0 HA GLU A 139 4.035 2.550 -13.288 1.00 0.40 H new ATOM 0 HB2 GLU A 139 3.085 4.694 -11.377 1.00 0.47 H new ATOM 0 HB3 GLU A 139 2.931 4.742 -13.122 1.00 0.47 H new ATOM 0 HG2 GLU A 139 1.658 2.488 -12.872 1.00 0.80 H new ATOM 0 HG3 GLU A 139 1.551 2.892 -11.171 1.00 0.80 H new ATOM 2131 N GLU A 140 6.209 4.076 -11.465 1.00 0.42 N ATOM 2132 CA GLU A 140 7.564 4.616 -11.506 1.00 0.44 C ATOM 2133 C GLU A 140 8.360 3.822 -12.518 1.00 0.43 C ATOM 2134 O GLU A 140 9.160 4.354 -13.283 1.00 0.51 O ATOM 2135 CB GLU A 140 8.261 4.452 -10.151 1.00 0.45 C ATOM 2136 CG GLU A 140 7.327 4.242 -8.981 1.00 0.75 C ATOM 2137 CD GLU A 140 6.436 5.433 -8.695 1.00 0.87 C ATOM 2138 OE1 GLU A 140 6.915 6.408 -8.080 1.00 1.14 O ATOM 2139 OE2 GLU A 140 5.253 5.397 -9.093 1.00 1.01 O ATOM 0 H GLU A 140 5.905 3.782 -10.537 1.00 0.42 H new ATOM 0 HA GLU A 140 7.509 5.674 -11.763 1.00 0.44 H new ATOM 0 HB2 GLU A 140 8.944 3.605 -10.209 1.00 0.45 H new ATOM 0 HB3 GLU A 140 8.867 5.338 -9.960 1.00 0.45 H new ATOM 0 HG2 GLU A 140 6.702 3.370 -9.177 1.00 0.75 H new ATOM 0 HG3 GLU A 140 7.916 4.018 -8.092 1.00 0.75 H new ATOM 2146 N TRP A 141 8.107 2.520 -12.494 1.00 0.35 N ATOM 2147 CA TRP A 141 8.862 1.570 -13.272 1.00 0.35 C ATOM 2148 C TRP A 141 8.152 1.318 -14.594 1.00 0.38 C ATOM 2149 O TRP A 141 8.789 1.053 -15.615 1.00 0.45 O ATOM 2150 CB TRP A 141 9.077 0.288 -12.471 1.00 0.32 C ATOM 2151 CG TRP A 141 9.520 0.531 -11.039 1.00 0.29 C ATOM 2152 CD1 TRP A 141 9.792 1.733 -10.441 1.00 0.34 C ATOM 2153 CD2 TRP A 141 9.723 -0.455 -10.022 1.00 0.25 C ATOM 2154 NE1 TRP A 141 10.115 1.561 -9.130 1.00 0.31 N ATOM 2155 CE2 TRP A 141 10.089 0.223 -8.843 1.00 0.26 C ATOM 2156 CE3 TRP A 141 9.616 -1.839 -9.996 1.00 0.23 C ATOM 2157 CZ2 TRP A 141 10.352 -0.444 -7.649 1.00 0.24 C ATOM 2158 CZ3 TRP A 141 9.870 -2.506 -8.808 1.00 0.23 C ATOM 2159 CH2 TRP A 141 10.232 -1.807 -7.645 1.00 0.23 C ATOM 0 H TRP A 141 7.368 2.100 -11.930 1.00 0.35 H new ATOM 0 HA TRP A 141 9.849 1.972 -13.499 1.00 0.35 H new ATOM 0 HB2 TRP A 141 8.150 -0.285 -12.463 1.00 0.32 H new ATOM 0 HB3 TRP A 141 9.825 -0.324 -12.975 1.00 0.32 H new ATOM 0 HD1 TRP A 141 9.755 2.689 -10.942 1.00 0.34 H new ATOM 0 HE1 TRP A 141 10.339 2.306 -8.470 1.00 0.31 H new ATOM 0 HE3 TRP A 141 9.340 -2.386 -10.885 1.00 0.23 H new ATOM 0 HZ2 TRP A 141 10.640 0.095 -6.759 1.00 0.24 H new ATOM 0 HZ3 TRP A 141 9.788 -3.582 -8.776 1.00 0.23 H new ATOM 0 HH2 TRP A 141 10.419 -2.354 -6.733 1.00 0.23 H new ATOM 2170 N GLY A 142 6.826 1.429 -14.580 1.00 0.35 N ATOM 2171 CA GLY A 142 6.094 1.463 -15.830 1.00 0.39 C ATOM 2172 C GLY A 142 5.098 0.341 -15.957 1.00 0.38 C ATOM 2173 O GLY A 142 4.695 -0.022 -17.062 1.00 0.45 O ATOM 0 H GLY A 142 6.254 1.495 -13.738 1.00 0.35 H new ATOM 0 HA2 GLY A 142 5.572 2.416 -15.914 1.00 0.39 H new ATOM 0 HA3 GLY A 142 6.799 1.412 -16.660 1.00 0.39 H new ATOM 2177 N GLY A 143 4.706 -0.216 -14.829 1.00 0.33 N ATOM 2178 CA GLY A 143 3.731 -1.279 -14.844 1.00 0.34 C ATOM 2179 C GLY A 143 2.316 -0.770 -14.687 1.00 0.37 C ATOM 2180 O GLY A 143 1.812 -0.035 -15.536 1.00 0.50 O ATOM 0 H GLY A 143 5.044 0.048 -13.903 1.00 0.33 H new ATOM 0 HA2 GLY A 143 3.813 -1.830 -15.781 1.00 0.34 H new ATOM 0 HA3 GLY A 143 3.952 -1.982 -14.041 1.00 0.34 H new ATOM 2184 N ASP A 144 1.690 -1.140 -13.584 1.00 0.33 N ATOM 2185 CA ASP A 144 0.290 -0.819 -13.355 1.00 0.40 C ATOM 2186 C ASP A 144 -0.011 -0.691 -11.865 1.00 0.30 C ATOM 2187 O ASP A 144 -1.142 -0.936 -11.411 1.00 0.32 O ATOM 2188 CB ASP A 144 -0.616 -1.884 -13.999 1.00 0.57 C ATOM 2189 CG ASP A 144 -0.223 -3.309 -13.633 1.00 0.93 C ATOM 2190 OD1 ASP A 144 0.619 -3.906 -14.337 1.00 1.19 O ATOM 2191 OD2 ASP A 144 -0.748 -3.833 -12.623 1.00 1.30 O ATOM 0 H ASP A 144 2.130 -1.666 -12.829 1.00 0.33 H new ATOM 0 HA ASP A 144 0.085 0.145 -13.821 1.00 0.40 H new ATOM 0 HB2 ASP A 144 -1.647 -1.708 -13.692 1.00 0.57 H new ATOM 0 HB3 ASP A 144 -0.583 -1.772 -15.083 1.00 0.57 H new ATOM 2196 N THR A 145 0.997 -0.293 -11.095 1.00 0.25 N ATOM 2197 CA THR A 145 0.823 -0.190 -9.654 1.00 0.24 C ATOM 2198 C THR A 145 1.242 1.180 -9.122 1.00 0.24 C ATOM 2199 O THR A 145 2.382 1.618 -9.298 1.00 0.31 O ATOM 2200 CB THR A 145 1.597 -1.310 -8.950 1.00 0.25 C ATOM 2201 OG1 THR A 145 1.274 -2.548 -9.584 1.00 0.32 O ATOM 2202 CG2 THR A 145 1.239 -1.393 -7.473 1.00 0.28 C ATOM 0 H THR A 145 1.924 -0.041 -11.437 1.00 0.25 H new ATOM 0 HA THR A 145 -0.239 -0.302 -9.438 1.00 0.24 H new ATOM 0 HB THR A 145 2.664 -1.099 -9.024 1.00 0.25 H new ATOM 0 HG1 THR A 145 0.316 -2.727 -9.483 1.00 0.32 H new ATOM 0 HG21 THR A 145 1.806 -2.198 -7.006 1.00 0.28 H new ATOM 0 HG22 THR A 145 1.481 -0.448 -6.986 1.00 0.28 H new ATOM 0 HG23 THR A 145 0.173 -1.592 -7.368 1.00 0.28 H new ATOM 2210 N ILE A 146 0.298 1.847 -8.467 1.00 0.26 N ATOM 2211 CA ILE A 146 0.501 3.202 -7.965 1.00 0.27 C ATOM 2212 C ILE A 146 1.019 3.188 -6.531 1.00 0.24 C ATOM 2213 O ILE A 146 0.267 2.900 -5.607 1.00 0.26 O ATOM 2214 CB ILE A 146 -0.822 3.989 -7.975 1.00 0.35 C ATOM 2215 CG1 ILE A 146 -1.579 3.763 -9.282 1.00 0.48 C ATOM 2216 CG2 ILE A 146 -0.553 5.470 -7.768 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -2.976 4.339 -9.268 1.00 1.23 C ATOM 0 H ILE A 146 -0.627 1.465 -8.269 1.00 0.26 H new ATOM 0 HA ILE A 146 1.232 3.676 -8.620 1.00 0.27 H new ATOM 0 HB ILE A 146 -1.443 3.627 -7.156 1.00 0.35 H new ATOM 0 HG12 ILE A 146 -1.017 4.210 -10.102 1.00 0.48 H new ATOM 0 HG13 ILE A 146 -1.636 2.693 -9.481 1.00 0.48 H new ATOM 0 HG21 ILE A 146 -1.496 6.016 -7.777 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -0.057 5.619 -6.809 1.00 0.34 H new ATOM 0 HG23 ILE A 146 0.087 5.839 -8.569 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -3.459 4.144 -10.225 1.00 1.23 H new ATOM 0 HD12 ILE A 146 -3.553 3.874 -8.469 1.00 1.23 H new ATOM 0 HD13 ILE A 146 -2.924 5.415 -9.100 1.00 1.23 H new ATOM 2229 N PHE A 147 2.287 3.506 -6.338 1.00 0.23 N ATOM 2230 CA PHE A 147 2.870 3.509 -5.000 1.00 0.22 C ATOM 2231 C PHE A 147 2.699 4.856 -4.319 1.00 0.24 C ATOM 2232 O PHE A 147 3.334 5.843 -4.691 1.00 0.38 O ATOM 2233 CB PHE A 147 4.346 3.132 -5.061 1.00 0.23 C ATOM 2234 CG PHE A 147 4.536 1.654 -5.089 1.00 0.21 C ATOM 2235 CD1 PHE A 147 4.344 0.942 -6.256 1.00 0.20 C ATOM 2236 CD2 PHE A 147 4.864 0.970 -3.932 1.00 0.21 C ATOM 2237 CE1 PHE A 147 4.484 -0.429 -6.274 1.00 0.20 C ATOM 2238 CE2 PHE A 147 4.998 -0.401 -3.940 1.00 0.22 C ATOM 2239 CZ PHE A 147 4.810 -1.101 -5.114 1.00 0.19 C ATOM 0 H PHE A 147 2.933 3.765 -7.084 1.00 0.23 H new ATOM 0 HA PHE A 147 2.338 2.765 -4.407 1.00 0.22 H new ATOM 0 HB2 PHE A 147 4.798 3.574 -5.949 1.00 0.23 H new ATOM 0 HB3 PHE A 147 4.864 3.549 -4.198 1.00 0.23 H new ATOM 0 HD1 PHE A 147 4.081 1.465 -7.164 1.00 0.20 H new ATOM 0 HD2 PHE A 147 5.017 1.517 -3.013 1.00 0.21 H new ATOM 0 HE1 PHE A 147 4.339 -0.976 -7.194 1.00 0.20 H new ATOM 0 HE2 PHE A 147 5.249 -0.926 -3.030 1.00 0.22 H new ATOM 0 HZ PHE A 147 4.918 -2.176 -5.125 1.00 0.19 H new ATOM 2249 N CYS A 148 1.826 4.888 -3.331 1.00 0.25 N ATOM 2250 CA CYS A 148 1.600 6.082 -2.546 1.00 0.28 C ATOM 2251 C CYS A 148 2.263 5.949 -1.188 1.00 0.26 C ATOM 2252 O CYS A 148 1.751 5.274 -0.300 1.00 0.32 O ATOM 2253 CB CYS A 148 0.103 6.322 -2.368 1.00 0.30 C ATOM 2254 SG CYS A 148 -0.790 6.559 -3.923 1.00 1.10 S ATOM 0 H CYS A 148 1.256 4.089 -3.052 1.00 0.25 H new ATOM 0 HA CYS A 148 2.035 6.931 -3.073 1.00 0.28 H new ATOM 0 HB2 CYS A 148 -0.330 5.475 -1.837 1.00 0.30 H new ATOM 0 HB3 CYS A 148 -0.042 7.200 -1.739 1.00 0.30 H new ATOM 0 HG CYS A 148 -1.701 5.639 -4.045 1.00 1.10 H new ATOM 2260 N LYS A 149 3.423 6.558 -1.044 1.00 0.37 N ATOM 2261 CA LYS A 149 4.105 6.601 0.237 1.00 0.38 C ATOM 2262 C LYS A 149 3.516 7.726 1.085 1.00 0.39 C ATOM 2263 O LYS A 149 3.905 8.888 0.967 1.00 0.47 O ATOM 2264 CB LYS A 149 5.613 6.767 0.016 1.00 0.47 C ATOM 2265 CG LYS A 149 5.978 7.903 -0.934 1.00 0.64 C ATOM 2266 CD LYS A 149 7.401 7.779 -1.463 1.00 0.94 C ATOM 2267 CE LYS A 149 8.436 7.812 -0.350 1.00 1.57 C ATOM 2268 NZ LYS A 149 9.818 7.827 -0.895 1.00 2.44 N ATOM 0 H LYS A 149 3.916 7.032 -1.801 1.00 0.37 H new ATOM 0 HA LYS A 149 3.958 5.666 0.777 1.00 0.38 H new ATOM 0 HB2 LYS A 149 6.094 6.943 0.978 1.00 0.47 H new ATOM 0 HB3 LYS A 149 6.017 5.834 -0.377 1.00 0.47 H new ATOM 0 HG2 LYS A 149 5.281 7.911 -1.772 1.00 0.64 H new ATOM 0 HG3 LYS A 149 5.867 8.856 -0.417 1.00 0.64 H new ATOM 0 HD2 LYS A 149 7.499 6.847 -2.020 1.00 0.94 H new ATOM 0 HD3 LYS A 149 7.598 8.591 -2.163 1.00 0.94 H new ATOM 0 HE2 LYS A 149 8.278 8.695 0.270 1.00 1.57 H new ATOM 0 HE3 LYS A 149 8.307 6.943 0.295 1.00 1.57 H new ATOM 0 HZ1 LYS A 149 10.500 7.867 -0.111 1.00 2.44 H new ATOM 0 HZ2 LYS A 149 9.981 6.964 -1.452 1.00 2.44 H new ATOM 0 HZ3 LYS A 149 9.942 8.661 -1.504 1.00 2.44 H new ATOM 2282 N LEU A 150 2.556 7.373 1.929 1.00 0.40 N ATOM 2283 CA LEU A 150 1.748 8.371 2.620 1.00 0.45 C ATOM 2284 C LEU A 150 1.997 8.391 4.119 1.00 0.45 C ATOM 2285 O LEU A 150 2.829 7.661 4.649 1.00 0.49 O ATOM 2286 CB LEU A 150 0.258 8.120 2.386 1.00 0.60 C ATOM 2287 CG LEU A 150 -0.289 6.840 3.014 1.00 0.49 C ATOM 2288 CD1 LEU A 150 -1.674 7.073 3.586 1.00 1.25 C ATOM 2289 CD2 LEU A 150 -0.321 5.731 1.986 1.00 1.27 C ATOM 0 H LEU A 150 2.318 6.407 2.152 1.00 0.40 H new ATOM 0 HA LEU A 150 2.044 9.335 2.205 1.00 0.45 H new ATOM 0 HB2 LEU A 150 -0.304 8.968 2.779 1.00 0.60 H new ATOM 0 HB3 LEU A 150 0.075 8.086 1.312 1.00 0.60 H new ATOM 0 HG LEU A 150 0.370 6.544 3.830 1.00 0.49 H new ATOM 0 HD11 LEU A 150 -2.045 6.149 4.028 1.00 1.25 H new ATOM 0 HD12 LEU A 150 -1.626 7.848 4.351 1.00 1.25 H new ATOM 0 HD13 LEU A 150 -2.348 7.390 2.790 1.00 1.25 H new ATOM 0 HD21 LEU A 150 -0.713 4.822 2.443 1.00 1.27 H new ATOM 0 HD22 LEU A 150 -0.962 6.024 1.154 1.00 1.27 H new ATOM 0 HD23 LEU A 150 0.688 5.546 1.618 1.00 1.27 H new ATOM 2301 N SER A 151 1.232 9.240 4.786 1.00 0.49 N ATOM 2302 CA SER A 151 1.272 9.368 6.224 1.00 0.55 C ATOM 2303 C SER A 151 0.062 10.150 6.703 1.00 0.57 C ATOM 2304 O SER A 151 -0.150 11.288 6.279 1.00 0.60 O ATOM 2305 CB SER A 151 2.545 10.063 6.658 1.00 0.66 C ATOM 2306 OG SER A 151 2.503 10.394 8.034 1.00 1.79 O ATOM 0 H SER A 151 0.562 9.863 4.335 1.00 0.49 H new ATOM 0 HA SER A 151 1.254 8.372 6.667 1.00 0.55 H new ATOM 0 HB2 SER A 151 3.400 9.416 6.463 1.00 0.66 H new ATOM 0 HB3 SER A 151 2.688 10.968 6.068 1.00 0.66 H new ATOM 0 HG SER A 151 3.100 11.152 8.207 1.00 1.79 H new ATOM 2312 N ALA A 152 -0.738 9.541 7.570 1.00 0.62 N ATOM 2313 CA ALA A 152 -1.915 10.203 8.126 1.00 0.70 C ATOM 2314 C ALA A 152 -1.517 11.352 9.052 1.00 0.74 C ATOM 2315 O ALA A 152 -2.359 12.140 9.478 1.00 0.87 O ATOM 2316 CB ALA A 152 -2.787 9.198 8.867 1.00 0.86 C ATOM 0 H ALA A 152 -0.594 8.588 7.905 1.00 0.62 H new ATOM 0 HA ALA A 152 -2.488 10.623 7.300 1.00 0.70 H new ATOM 0 HB1 ALA A 152 -3.660 9.706 9.276 1.00 0.86 H new ATOM 0 HB2 ALA A 152 -3.110 8.419 8.177 1.00 0.86 H new ATOM 0 HB3 ALA A 152 -2.215 8.749 9.679 1.00 0.86 H new ATOM 2322 N LYS A 153 -0.223 11.440 9.349 1.00 0.77 N ATOM 2323 CA LYS A 153 0.304 12.488 10.198 1.00 0.93 C ATOM 2324 C LYS A 153 0.556 13.735 9.373 1.00 0.86 C ATOM 2325 O LYS A 153 0.038 14.813 9.656 1.00 0.96 O ATOM 2326 CB LYS A 153 1.623 12.058 10.811 1.00 1.13 C ATOM 2327 CG LYS A 153 1.721 10.585 11.171 1.00 1.19 C ATOM 2328 CD LYS A 153 0.791 10.208 12.311 1.00 1.68 C ATOM 2329 CE LYS A 153 1.367 9.071 13.145 1.00 2.31 C ATOM 2330 NZ LYS A 153 1.664 7.854 12.337 1.00 3.03 N ATOM 0 H LYS A 153 0.481 10.787 9.006 1.00 0.77 H new ATOM 0 HA LYS A 153 -0.424 12.688 10.984 1.00 0.93 H new ATOM 0 HB2 LYS A 153 2.425 12.299 10.113 1.00 1.13 H new ATOM 0 HB3 LYS A 153 1.796 12.648 11.711 1.00 1.13 H new ATOM 0 HG2 LYS A 153 1.481 9.982 10.295 1.00 1.19 H new ATOM 0 HG3 LYS A 153 2.748 10.349 11.449 1.00 1.19 H new ATOM 0 HD2 LYS A 153 0.621 11.077 12.946 1.00 1.68 H new ATOM 0 HD3 LYS A 153 -0.178 9.912 11.909 1.00 1.68 H new ATOM 0 HE2 LYS A 153 2.281 9.411 13.631 1.00 2.31 H new ATOM 0 HE3 LYS A 153 0.662 8.813 13.936 1.00 2.31 H new ATOM 0 HZ1 LYS A 153 1.891 7.062 12.972 1.00 3.03 H new ATOM 0 HZ2 LYS A 153 0.834 7.609 11.761 1.00 3.03 H new ATOM 0 HZ3 LYS A 153 2.475 8.041 11.713 1.00 3.03 H new ATOM 2344 N THR A 154 1.363 13.554 8.341 1.00 0.78 N ATOM 2345 CA THR A 154 1.807 14.648 7.493 1.00 0.81 C ATOM 2346 C THR A 154 0.753 15.016 6.456 1.00 0.73 C ATOM 2347 O THR A 154 0.783 16.113 5.893 1.00 0.82 O ATOM 2348 CB THR A 154 3.114 14.274 6.774 1.00 0.89 C ATOM 2349 OG1 THR A 154 2.929 13.051 6.048 1.00 1.19 O ATOM 2350 CG2 THR A 154 4.255 14.107 7.763 1.00 1.20 C ATOM 0 H THR A 154 1.730 12.642 8.067 1.00 0.78 H new ATOM 0 HA THR A 154 1.975 15.510 8.138 1.00 0.81 H new ATOM 0 HB THR A 154 3.369 15.081 6.087 1.00 0.89 H new ATOM 0 HG1 THR A 154 3.796 12.730 5.722 1.00 1.19 H new ATOM 0 HG21 THR A 154 5.166 13.843 7.226 1.00 1.20 H new ATOM 0 HG22 THR A 154 4.409 15.042 8.302 1.00 1.20 H new ATOM 0 HG23 THR A 154 4.009 13.316 8.472 1.00 1.20 H new ATOM 2358 N LYS A 155 -0.158 14.072 6.196 1.00 0.65 N ATOM 2359 CA LYS A 155 -1.262 14.255 5.241 1.00 0.67 C ATOM 2360 C LYS A 155 -0.754 14.223 3.792 1.00 0.66 C ATOM 2361 O LYS A 155 -1.546 14.276 2.848 1.00 0.86 O ATOM 2362 CB LYS A 155 -2.008 15.569 5.513 1.00 0.86 C ATOM 2363 CG LYS A 155 -3.441 15.582 5.007 1.00 1.27 C ATOM 2364 CD LYS A 155 -4.357 14.794 5.925 1.00 1.12 C ATOM 2365 CE LYS A 155 -5.796 14.820 5.438 1.00 1.39 C ATOM 2366 NZ LYS A 155 -6.270 16.204 5.157 1.00 2.27 N ATOM 0 H LYS A 155 -0.152 13.155 6.643 1.00 0.65 H new ATOM 0 HA LYS A 155 -1.956 13.426 5.378 1.00 0.67 H new ATOM 0 HB2 LYS A 155 -2.011 15.758 6.587 1.00 0.86 H new ATOM 0 HB3 LYS A 155 -1.461 16.389 5.047 1.00 0.86 H new ATOM 0 HG2 LYS A 155 -3.794 16.611 4.934 1.00 1.27 H new ATOM 0 HG3 LYS A 155 -3.478 15.160 4.003 1.00 1.27 H new ATOM 0 HD2 LYS A 155 -4.012 13.762 5.986 1.00 1.12 H new ATOM 0 HD3 LYS A 155 -4.306 15.207 6.932 1.00 1.12 H new ATOM 0 HE2 LYS A 155 -5.883 14.217 4.534 1.00 1.39 H new ATOM 0 HE3 LYS A 155 -6.440 14.363 6.189 1.00 1.39 H new ATOM 0 HZ1 LYS A 155 -7.272 16.288 5.422 1.00 2.27 H new ATOM 0 HZ2 LYS A 155 -5.707 16.882 5.709 1.00 2.27 H new ATOM 0 HZ3 LYS A 155 -6.162 16.409 4.143 1.00 2.27 H new ATOM 2380 N GLU A 156 0.566 14.096 3.639 1.00 0.62 N ATOM 2381 CA GLU A 156 1.234 14.118 2.332 1.00 0.66 C ATOM 2382 C GLU A 156 0.556 13.197 1.328 1.00 0.59 C ATOM 2383 O GLU A 156 -0.101 13.639 0.381 1.00 0.58 O ATOM 2384 CB GLU A 156 2.687 13.668 2.495 1.00 0.75 C ATOM 2385 CG GLU A 156 3.532 14.579 3.361 1.00 1.13 C ATOM 2386 CD GLU A 156 4.252 15.636 2.557 1.00 1.78 C ATOM 2387 OE1 GLU A 156 3.642 16.694 2.289 1.00 2.64 O ATOM 2388 OE2 GLU A 156 5.418 15.414 2.177 1.00 2.03 O ATOM 0 H GLU A 156 1.207 13.974 4.423 1.00 0.62 H new ATOM 0 HA GLU A 156 1.179 15.139 1.955 1.00 0.66 H new ATOM 0 HB2 GLU A 156 2.698 12.666 2.924 1.00 0.75 H new ATOM 0 HB3 GLU A 156 3.145 13.597 1.509 1.00 0.75 H new ATOM 0 HG2 GLU A 156 2.896 15.062 4.103 1.00 1.13 H new ATOM 0 HG3 GLU A 156 4.262 13.982 3.907 1.00 1.13 H new ATOM 2395 N GLY A 157 0.726 11.905 1.555 1.00 0.62 N ATOM 2396 CA GLY A 157 0.232 10.913 0.637 1.00 0.61 C ATOM 2397 C GLY A 157 -1.275 10.772 0.642 1.00 0.48 C ATOM 2398 O GLY A 157 -1.824 10.092 -0.212 1.00 0.46 O ATOM 0 H GLY A 157 1.205 11.526 2.372 1.00 0.62 H new ATOM 0 HA2 GLY A 157 0.560 11.168 -0.371 1.00 0.61 H new ATOM 0 HA3 GLY A 157 0.678 9.950 0.883 1.00 0.61 H new ATOM 2402 N LEU A 158 -1.951 11.405 1.595 1.00 0.48 N ATOM 2403 CA LEU A 158 -3.406 11.318 1.666 1.00 0.50 C ATOM 2404 C LEU A 158 -4.037 12.056 0.499 1.00 0.46 C ATOM 2405 O LEU A 158 -4.881 11.514 -0.212 1.00 0.51 O ATOM 2406 CB LEU A 158 -3.933 11.883 2.991 1.00 0.62 C ATOM 2407 CG LEU A 158 -4.000 10.886 4.151 1.00 0.83 C ATOM 2408 CD1 LEU A 158 -4.909 9.718 3.800 1.00 1.55 C ATOM 2409 CD2 LEU A 158 -2.614 10.391 4.520 1.00 1.27 C ATOM 0 H LEU A 158 -1.521 11.978 2.321 1.00 0.48 H new ATOM 0 HA LEU A 158 -3.680 10.264 1.612 1.00 0.50 H new ATOM 0 HB2 LEU A 158 -3.298 12.718 3.288 1.00 0.62 H new ATOM 0 HB3 LEU A 158 -4.932 12.286 2.823 1.00 0.62 H new ATOM 0 HG LEU A 158 -4.418 11.400 5.016 1.00 0.83 H new ATOM 0 HD11 LEU A 158 -4.944 9.020 4.636 1.00 1.55 H new ATOM 0 HD12 LEU A 158 -5.913 10.088 3.594 1.00 1.55 H new ATOM 0 HD13 LEU A 158 -4.522 9.208 2.918 1.00 1.55 H new ATOM 0 HD21 LEU A 158 -2.688 9.684 5.346 1.00 1.27 H new ATOM 0 HD22 LEU A 158 -2.163 9.897 3.659 1.00 1.27 H new ATOM 0 HD23 LEU A 158 -1.994 11.236 4.820 1.00 1.27 H new ATOM 2421 N ASP A 159 -3.605 13.290 0.298 1.00 0.48 N ATOM 2422 CA ASP A 159 -4.104 14.099 -0.803 1.00 0.57 C ATOM 2423 C ASP A 159 -3.636 13.519 -2.132 1.00 0.50 C ATOM 2424 O ASP A 159 -4.383 13.486 -3.111 1.00 0.52 O ATOM 2425 CB ASP A 159 -3.627 15.543 -0.659 1.00 0.73 C ATOM 2426 CG ASP A 159 -4.122 16.428 -1.780 1.00 1.54 C ATOM 2427 OD1 ASP A 159 -5.255 16.947 -1.682 1.00 1.58 O ATOM 2428 OD2 ASP A 159 -3.376 16.621 -2.763 1.00 2.50 O ATOM 0 H ASP A 159 -2.910 13.754 0.883 1.00 0.48 H new ATOM 0 HA ASP A 159 -5.194 14.089 -0.779 1.00 0.57 H new ATOM 0 HB2 ASP A 159 -3.971 15.943 0.295 1.00 0.73 H new ATOM 0 HB3 ASP A 159 -2.537 15.562 -0.639 1.00 0.73 H new ATOM 2433 N HIS A 160 -2.400 13.037 -2.145 1.00 0.47 N ATOM 2434 CA HIS A 160 -1.820 12.434 -3.339 1.00 0.46 C ATOM 2435 C HIS A 160 -2.493 11.097 -3.658 1.00 0.41 C ATOM 2436 O HIS A 160 -2.560 10.698 -4.814 1.00 0.43 O ATOM 2437 CB HIS A 160 -0.311 12.252 -3.147 1.00 0.50 C ATOM 2438 CG HIS A 160 0.418 11.713 -4.344 1.00 0.56 C ATOM 2439 ND1 HIS A 160 0.463 12.354 -5.565 1.00 0.67 N ATOM 2440 CD2 HIS A 160 1.165 10.593 -4.488 1.00 0.59 C ATOM 2441 CE1 HIS A 160 1.210 11.657 -6.397 1.00 0.73 C ATOM 2442 NE2 HIS A 160 1.651 10.584 -5.770 1.00 0.67 N ATOM 0 H HIS A 160 -1.777 13.052 -1.338 1.00 0.47 H new ATOM 0 HA HIS A 160 -1.990 13.100 -4.185 1.00 0.46 H new ATOM 0 HB2 HIS A 160 0.125 13.214 -2.877 1.00 0.50 H new ATOM 0 HB3 HIS A 160 -0.145 11.579 -2.305 1.00 0.50 H new ATOM 0 HD1 HIS A 160 -0.008 13.230 -5.789 1.00 0.67 H new ATOM 0 HD2 HIS A 160 1.345 9.844 -3.731 1.00 0.59 H new ATOM 0 HE1 HIS A 160 1.425 11.921 -7.422 1.00 0.73 H new ATOM 2451 N LEU A 161 -2.988 10.414 -2.629 1.00 0.39 N ATOM 2452 CA LEU A 161 -3.698 9.150 -2.815 1.00 0.39 C ATOM 2453 C LEU A 161 -4.964 9.378 -3.625 1.00 0.39 C ATOM 2454 O LEU A 161 -5.136 8.795 -4.695 1.00 0.42 O ATOM 2455 CB LEU A 161 -4.055 8.529 -1.461 1.00 0.41 C ATOM 2456 CG LEU A 161 -4.822 7.206 -1.527 1.00 0.51 C ATOM 2457 CD1 LEU A 161 -3.968 6.125 -2.169 1.00 0.91 C ATOM 2458 CD2 LEU A 161 -5.267 6.779 -0.136 1.00 0.88 C ATOM 0 H LEU A 161 -2.911 10.714 -1.657 1.00 0.39 H new ATOM 0 HA LEU A 161 -3.045 8.464 -3.354 1.00 0.39 H new ATOM 0 HB2 LEU A 161 -3.134 8.368 -0.900 1.00 0.41 H new ATOM 0 HB3 LEU A 161 -4.650 9.247 -0.897 1.00 0.41 H new ATOM 0 HG LEU A 161 -5.709 7.353 -2.143 1.00 0.51 H new ATOM 0 HD11 LEU A 161 -4.530 5.192 -2.207 1.00 0.91 H new ATOM 0 HD12 LEU A 161 -3.698 6.428 -3.181 1.00 0.91 H new ATOM 0 HD13 LEU A 161 -3.062 5.979 -1.580 1.00 0.91 H new ATOM 0 HD21 LEU A 161 -5.811 5.837 -0.201 1.00 0.88 H new ATOM 0 HD22 LEU A 161 -4.393 6.650 0.502 1.00 0.88 H new ATOM 0 HD23 LEU A 161 -5.917 7.544 0.289 1.00 0.88 H new ATOM 2470 N LEU A 162 -5.835 10.246 -3.115 1.00 0.40 N ATOM 2471 CA LEU A 162 -7.074 10.604 -3.797 1.00 0.44 C ATOM 2472 C LEU A 162 -6.771 11.097 -5.206 1.00 0.45 C ATOM 2473 O LEU A 162 -7.499 10.812 -6.154 1.00 0.48 O ATOM 2474 CB LEU A 162 -7.794 11.708 -3.019 1.00 0.50 C ATOM 2475 CG LEU A 162 -8.005 11.436 -1.526 1.00 0.69 C ATOM 2476 CD1 LEU A 162 -8.652 12.637 -0.855 1.00 1.05 C ATOM 2477 CD2 LEU A 162 -8.856 10.196 -1.324 1.00 1.06 C ATOM 0 H LEU A 162 -5.702 10.719 -2.221 1.00 0.40 H new ATOM 0 HA LEU A 162 -7.712 9.722 -3.853 1.00 0.44 H new ATOM 0 HB2 LEU A 162 -7.226 12.632 -3.125 1.00 0.50 H new ATOM 0 HB3 LEU A 162 -8.767 11.877 -3.480 1.00 0.50 H new ATOM 0 HG LEU A 162 -7.031 11.264 -1.067 1.00 0.69 H new ATOM 0 HD11 LEU A 162 -8.795 12.428 0.205 1.00 1.05 H new ATOM 0 HD12 LEU A 162 -8.008 13.509 -0.969 1.00 1.05 H new ATOM 0 HD13 LEU A 162 -9.618 12.837 -1.319 1.00 1.05 H new ATOM 0 HD21 LEU A 162 -8.994 10.020 -0.257 1.00 1.06 H new ATOM 0 HD22 LEU A 162 -9.827 10.340 -1.797 1.00 1.06 H new ATOM 0 HD23 LEU A 162 -8.358 9.336 -1.772 1.00 1.06 H new ATOM 2489 N GLU A 163 -5.665 11.818 -5.322 1.00 0.46 N ATOM 2490 CA GLU A 163 -5.220 12.378 -6.566 1.00 0.52 C ATOM 2491 C GLU A 163 -4.847 11.273 -7.558 1.00 0.51 C ATOM 2492 O GLU A 163 -5.293 11.289 -8.702 1.00 0.56 O ATOM 2493 CB GLU A 163 -4.044 13.299 -6.260 1.00 0.62 C ATOM 2494 CG GLU A 163 -3.176 13.611 -7.441 1.00 1.06 C ATOM 2495 CD GLU A 163 -2.100 14.617 -7.108 1.00 1.75 C ATOM 2496 OE1 GLU A 163 -2.380 15.833 -7.149 1.00 2.49 O ATOM 2497 OE2 GLU A 163 -0.963 14.199 -6.812 1.00 1.97 O ATOM 0 H GLU A 163 -5.050 12.027 -4.535 1.00 0.46 H new ATOM 0 HA GLU A 163 -6.016 12.952 -7.040 1.00 0.52 H new ATOM 0 HB2 GLU A 163 -4.428 14.233 -5.850 1.00 0.62 H new ATOM 0 HB3 GLU A 163 -3.430 12.839 -5.485 1.00 0.62 H new ATOM 0 HG2 GLU A 163 -2.713 12.693 -7.802 1.00 1.06 H new ATOM 0 HG3 GLU A 163 -3.794 13.997 -8.252 1.00 1.06 H new ATOM 2504 N MET A 164 -4.057 10.302 -7.107 1.00 0.49 N ATOM 2505 CA MET A 164 -3.669 9.173 -7.955 1.00 0.52 C ATOM 2506 C MET A 164 -4.895 8.361 -8.355 1.00 0.51 C ATOM 2507 O MET A 164 -5.033 7.956 -9.511 1.00 0.57 O ATOM 2508 CB MET A 164 -2.663 8.273 -7.238 1.00 0.53 C ATOM 2509 CG MET A 164 -1.314 8.925 -6.953 1.00 0.68 C ATOM 2510 SD MET A 164 -0.319 9.229 -8.432 1.00 0.87 S ATOM 2511 CE MET A 164 -1.082 10.710 -9.090 1.00 0.67 C ATOM 0 H MET A 164 -3.673 10.272 -6.163 1.00 0.49 H new ATOM 0 HA MET A 164 -3.199 9.574 -8.853 1.00 0.52 H new ATOM 0 HB2 MET A 164 -3.099 7.944 -6.295 1.00 0.53 H new ATOM 0 HB3 MET A 164 -2.499 7.381 -7.842 1.00 0.53 H new ATOM 0 HG2 MET A 164 -1.481 9.871 -6.438 1.00 0.68 H new ATOM 0 HG3 MET A 164 -0.750 8.287 -6.273 1.00 0.68 H new ATOM 0 HE1 MET A 164 -1.599 10.471 -10.019 1.00 0.67 H new ATOM 0 HE2 MET A 164 -1.797 11.103 -8.367 1.00 0.67 H new ATOM 0 HE3 MET A 164 -0.314 11.459 -9.285 1.00 0.67 H new ATOM 2521 N ILE A 165 -5.778 8.138 -7.388 1.00 0.48 N ATOM 2522 CA ILE A 165 -7.034 7.454 -7.617 1.00 0.51 C ATOM 2523 C ILE A 165 -7.807 8.134 -8.760 1.00 0.58 C ATOM 2524 O ILE A 165 -8.195 7.489 -9.737 1.00 0.64 O ATOM 2525 CB ILE A 165 -7.875 7.496 -6.326 1.00 0.50 C ATOM 2526 CG1 ILE A 165 -7.221 6.659 -5.226 1.00 0.48 C ATOM 2527 CG2 ILE A 165 -9.284 7.024 -6.585 1.00 0.59 C ATOM 2528 CD1 ILE A 165 -7.919 6.771 -3.886 1.00 0.50 C ATOM 0 H ILE A 165 -5.637 8.430 -6.421 1.00 0.48 H new ATOM 0 HA ILE A 165 -6.835 6.419 -7.895 1.00 0.51 H new ATOM 0 HB ILE A 165 -7.921 8.531 -5.988 1.00 0.50 H new ATOM 0 HG12 ILE A 165 -7.209 5.614 -5.534 1.00 0.48 H new ATOM 0 HG13 ILE A 165 -6.182 6.970 -5.113 1.00 0.48 H new ATOM 0 HG21 ILE A 165 -9.857 7.063 -5.659 1.00 0.59 H new ATOM 0 HG22 ILE A 165 -9.753 7.668 -7.329 1.00 0.59 H new ATOM 0 HG23 ILE A 165 -9.262 5.999 -6.955 1.00 0.59 H new ATOM 0 HD11 ILE A 165 -7.402 6.152 -3.153 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -7.908 7.810 -3.556 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -8.950 6.432 -3.984 1.00 0.50 H new ATOM 2540 N LEU A 166 -8.003 9.448 -8.624 1.00 0.61 N ATOM 2541 CA LEU A 166 -8.683 10.257 -9.632 1.00 0.72 C ATOM 2542 C LEU A 166 -7.971 10.205 -10.975 1.00 0.72 C ATOM 2543 O LEU A 166 -8.605 9.999 -12.013 1.00 0.81 O ATOM 2544 CB LEU A 166 -8.745 11.708 -9.172 1.00 0.82 C ATOM 2545 CG LEU A 166 -9.725 11.998 -8.041 1.00 0.98 C ATOM 2546 CD1 LEU A 166 -9.540 13.415 -7.533 1.00 1.81 C ATOM 2547 CD2 LEU A 166 -11.152 11.780 -8.517 1.00 1.48 C ATOM 0 H LEU A 166 -7.693 9.979 -7.810 1.00 0.61 H new ATOM 0 HA LEU A 166 -9.686 9.848 -9.755 1.00 0.72 H new ATOM 0 HB2 LEU A 166 -7.748 12.012 -8.852 1.00 0.82 H new ATOM 0 HB3 LEU A 166 -9.009 12.331 -10.027 1.00 0.82 H new ATOM 0 HG LEU A 166 -9.526 11.312 -7.218 1.00 0.98 H new ATOM 0 HD11 LEU A 166 -10.247 13.607 -6.726 1.00 1.81 H new ATOM 0 HD12 LEU A 166 -8.523 13.539 -7.162 1.00 1.81 H new ATOM 0 HD13 LEU A 166 -9.718 14.119 -8.346 1.00 1.81 H new ATOM 0 HD21 LEU A 166 -11.844 11.990 -7.701 1.00 1.48 H new ATOM 0 HD22 LEU A 166 -11.363 12.448 -9.352 1.00 1.48 H new ATOM 0 HD23 LEU A 166 -11.274 10.746 -8.839 1.00 1.48 H new ATOM 2559 N LEU A 167 -6.659 10.420 -10.942 1.00 0.69 N ATOM 2560 CA LEU A 167 -5.850 10.444 -12.153 1.00 0.79 C ATOM 2561 C LEU A 167 -6.036 9.175 -12.958 1.00 0.87 C ATOM 2562 O LEU A 167 -6.264 9.229 -14.159 1.00 1.02 O ATOM 2563 CB LEU A 167 -4.368 10.632 -11.815 1.00 0.84 C ATOM 2564 CG LEU A 167 -3.820 12.048 -12.024 1.00 1.06 C ATOM 2565 CD1 LEU A 167 -3.940 12.459 -13.483 1.00 1.42 C ATOM 2566 CD2 LEU A 167 -4.539 13.051 -11.134 1.00 1.41 C ATOM 0 H LEU A 167 -6.132 10.581 -10.083 1.00 0.69 H new ATOM 0 HA LEU A 167 -6.184 11.289 -12.754 1.00 0.79 H new ATOM 0 HB2 LEU A 167 -4.212 10.350 -10.774 1.00 0.84 H new ATOM 0 HB3 LEU A 167 -3.784 9.941 -12.423 1.00 0.84 H new ATOM 0 HG LEU A 167 -2.766 12.041 -11.748 1.00 1.06 H new ATOM 0 HD11 LEU A 167 -3.546 13.467 -13.611 1.00 1.42 H new ATOM 0 HD12 LEU A 167 -3.372 11.766 -14.104 1.00 1.42 H new ATOM 0 HD13 LEU A 167 -4.988 12.439 -13.782 1.00 1.42 H new ATOM 0 HD21 LEU A 167 -4.130 14.047 -11.303 1.00 1.41 H new ATOM 0 HD22 LEU A 167 -5.603 13.051 -11.371 1.00 1.41 H new ATOM 0 HD23 LEU A 167 -4.400 12.775 -10.089 1.00 1.41 H new ATOM 2578 N VAL A 168 -5.969 8.035 -12.288 1.00 0.83 N ATOM 2579 CA VAL A 168 -6.123 6.754 -12.957 1.00 0.96 C ATOM 2580 C VAL A 168 -7.544 6.566 -13.477 1.00 1.01 C ATOM 2581 O VAL A 168 -7.742 6.062 -14.582 1.00 1.14 O ATOM 2582 CB VAL A 168 -5.710 5.589 -12.032 1.00 1.03 C ATOM 2583 CG1 VAL A 168 -6.511 4.328 -12.314 1.00 1.17 C ATOM 2584 CG2 VAL A 168 -4.232 5.313 -12.211 1.00 1.14 C ATOM 0 H VAL A 168 -5.809 7.971 -11.283 1.00 0.83 H new ATOM 0 HA VAL A 168 -5.454 6.750 -13.818 1.00 0.96 H new ATOM 0 HB VAL A 168 -5.917 5.882 -11.003 1.00 1.03 H new ATOM 0 HG11 VAL A 168 -6.188 3.534 -11.641 1.00 1.17 H new ATOM 0 HG12 VAL A 168 -7.571 4.528 -12.157 1.00 1.17 H new ATOM 0 HG13 VAL A 168 -6.349 4.017 -13.346 1.00 1.17 H new ATOM 0 HG21 VAL A 168 -3.934 4.491 -11.560 1.00 1.14 H new ATOM 0 HG22 VAL A 168 -4.035 5.044 -13.249 1.00 1.14 H new ATOM 0 HG23 VAL A 168 -3.661 6.205 -11.953 1.00 1.14 H new ATOM 2594 N SER A 169 -8.523 7.018 -12.703 1.00 0.98 N ATOM 2595 CA SER A 169 -9.920 6.929 -13.111 1.00 1.14 C ATOM 2596 C SER A 169 -10.154 7.716 -14.406 1.00 1.22 C ATOM 2597 O SER A 169 -11.088 7.440 -15.160 1.00 1.41 O ATOM 2598 CB SER A 169 -10.825 7.460 -11.998 1.00 1.20 C ATOM 2599 OG SER A 169 -10.606 6.761 -10.780 1.00 1.54 O ATOM 0 H SER A 169 -8.376 7.449 -11.790 1.00 0.98 H new ATOM 0 HA SER A 169 -10.163 5.883 -13.296 1.00 1.14 H new ATOM 0 HB2 SER A 169 -10.637 8.523 -11.849 1.00 1.20 H new ATOM 0 HB3 SER A 169 -11.869 7.360 -12.295 1.00 1.20 H new ATOM 0 HG SER A 169 -9.803 7.112 -10.341 1.00 1.54 H new ATOM 2605 N GLU A 170 -9.308 8.710 -14.650 1.00 1.15 N ATOM 2606 CA GLU A 170 -9.388 9.495 -15.871 1.00 1.33 C ATOM 2607 C GLU A 170 -8.372 9.002 -16.903 1.00 1.37 C ATOM 2608 O GLU A 170 -8.532 9.214 -18.105 1.00 1.53 O ATOM 2609 CB GLU A 170 -9.149 10.970 -15.561 1.00 1.46 C ATOM 2610 CG GLU A 170 -9.987 11.903 -16.415 1.00 2.02 C ATOM 2611 CD GLU A 170 -11.467 11.605 -16.285 1.00 2.31 C ATOM 2612 OE1 GLU A 170 -12.056 11.928 -15.232 1.00 2.65 O ATOM 2613 OE2 GLU A 170 -12.056 11.055 -17.241 1.00 2.79 O ATOM 0 H GLU A 170 -8.559 8.990 -14.017 1.00 1.15 H new ATOM 0 HA GLU A 170 -10.387 9.376 -16.291 1.00 1.33 H new ATOM 0 HB2 GLU A 170 -9.369 11.154 -14.509 1.00 1.46 H new ATOM 0 HB3 GLU A 170 -8.094 11.200 -15.711 1.00 1.46 H new ATOM 0 HG2 GLU A 170 -9.796 12.935 -16.121 1.00 2.02 H new ATOM 0 HG3 GLU A 170 -9.687 11.809 -17.459 1.00 2.02 H new ATOM 2620 N MET A 171 -7.328 8.339 -16.420 1.00 1.30 N ATOM 2621 CA MET A 171 -6.250 7.855 -17.277 1.00 1.44 C ATOM 2622 C MET A 171 -6.670 6.589 -18.010 1.00 1.51 C ATOM 2623 O MET A 171 -6.022 6.178 -18.968 1.00 1.76 O ATOM 2624 CB MET A 171 -4.988 7.583 -16.455 1.00 1.40 C ATOM 2625 CG MET A 171 -3.767 7.264 -17.304 1.00 1.67 C ATOM 2626 SD MET A 171 -2.325 6.829 -16.316 1.00 1.82 S ATOM 2627 CE MET A 171 -2.856 5.283 -15.579 1.00 1.77 C ATOM 0 H MET A 171 -7.204 8.122 -15.431 1.00 1.30 H new ATOM 0 HA MET A 171 -6.033 8.630 -18.012 1.00 1.44 H new ATOM 0 HB2 MET A 171 -4.773 8.454 -15.836 1.00 1.40 H new ATOM 0 HB3 MET A 171 -5.178 6.750 -15.778 1.00 1.40 H new ATOM 0 HG2 MET A 171 -4.003 6.439 -17.977 1.00 1.67 H new ATOM 0 HG3 MET A 171 -3.528 8.126 -17.927 1.00 1.67 H new ATOM 0 HE1 MET A 171 -2.394 5.170 -14.598 1.00 1.77 H new ATOM 0 HE2 MET A 171 -3.941 5.285 -15.471 1.00 1.77 H new ATOM 0 HE3 MET A 171 -2.556 4.453 -16.219 1.00 1.77 H new ATOM 2637 N GLU A 172 -7.751 5.973 -17.544 1.00 1.43 N ATOM 2638 CA GLU A 172 -8.348 4.822 -18.223 1.00 1.58 C ATOM 2639 C GLU A 172 -8.723 5.148 -19.671 1.00 1.73 C ATOM 2640 O GLU A 172 -8.907 4.246 -20.492 1.00 2.00 O ATOM 2641 CB GLU A 172 -9.582 4.343 -17.463 1.00 1.62 C ATOM 2642 CG GLU A 172 -9.250 3.611 -16.173 1.00 2.05 C ATOM 2643 CD GLU A 172 -8.464 2.343 -16.424 1.00 2.83 C ATOM 2644 OE1 GLU A 172 -9.081 1.312 -16.760 1.00 3.31 O ATOM 2645 OE2 GLU A 172 -7.222 2.364 -16.299 1.00 3.45 O ATOM 0 H GLU A 172 -8.237 6.252 -16.692 1.00 1.43 H new ATOM 0 HA GLU A 172 -7.601 4.029 -18.241 1.00 1.58 H new ATOM 0 HB2 GLU A 172 -10.214 5.201 -17.233 1.00 1.62 H new ATOM 0 HB3 GLU A 172 -10.163 3.683 -18.107 1.00 1.62 H new ATOM 0 HG2 GLU A 172 -8.676 4.269 -15.521 1.00 2.05 H new ATOM 0 HG3 GLU A 172 -10.173 3.367 -15.647 1.00 2.05 H new ATOM 2652 N GLU A 173 -8.849 6.439 -19.973 1.00 1.74 N ATOM 2653 CA GLU A 173 -9.065 6.892 -21.345 1.00 2.08 C ATOM 2654 C GLU A 173 -7.854 6.523 -22.207 1.00 2.36 C ATOM 2655 O GLU A 173 -7.969 6.327 -23.414 1.00 2.69 O ATOM 2656 CB GLU A 173 -9.296 8.410 -21.364 1.00 2.29 C ATOM 2657 CG GLU A 173 -9.611 8.989 -22.738 1.00 2.72 C ATOM 2658 CD GLU A 173 -10.931 8.503 -23.305 1.00 2.95 C ATOM 2659 OE1 GLU A 173 -11.993 8.893 -22.774 1.00 3.36 O ATOM 2660 OE2 GLU A 173 -10.915 7.752 -24.305 1.00 3.18 O ATOM 0 H GLU A 173 -8.805 7.190 -19.285 1.00 1.74 H new ATOM 0 HA GLU A 173 -9.949 6.401 -21.753 1.00 2.08 H new ATOM 0 HB2 GLU A 173 -10.117 8.647 -20.688 1.00 2.29 H new ATOM 0 HB3 GLU A 173 -8.407 8.904 -20.972 1.00 2.29 H new ATOM 0 HG2 GLU A 173 -9.631 10.077 -22.670 1.00 2.72 H new ATOM 0 HG3 GLU A 173 -8.809 8.727 -23.428 1.00 2.72 H new ATOM 2667 N LEU A 174 -6.700 6.417 -21.560 1.00 2.34 N ATOM 2668 CA LEU A 174 -5.456 6.057 -22.230 1.00 2.77 C ATOM 2669 C LEU A 174 -5.082 4.620 -21.872 1.00 2.83 C ATOM 2670 O LEU A 174 -5.185 3.713 -22.704 1.00 3.15 O ATOM 2671 CB LEU A 174 -4.335 7.011 -21.803 1.00 3.04 C ATOM 2672 CG LEU A 174 -4.678 8.504 -21.857 1.00 3.65 C ATOM 2673 CD1 LEU A 174 -3.500 9.334 -21.374 1.00 4.14 C ATOM 2674 CD2 LEU A 174 -5.079 8.921 -23.264 1.00 4.09 C ATOM 0 H LEU A 174 -6.600 6.578 -20.558 1.00 2.34 H new ATOM 0 HA LEU A 174 -5.593 6.136 -23.309 1.00 2.77 H new ATOM 0 HB2 LEU A 174 -4.039 6.761 -20.784 1.00 3.04 H new ATOM 0 HB3 LEU A 174 -3.469 6.833 -22.440 1.00 3.04 H new ATOM 0 HG LEU A 174 -5.527 8.682 -21.197 1.00 3.65 H new ATOM 0 HD11 LEU A 174 -3.758 10.392 -21.418 1.00 4.14 H new ATOM 0 HD12 LEU A 174 -3.260 9.061 -20.346 1.00 4.14 H new ATOM 0 HD13 LEU A 174 -2.636 9.145 -22.011 1.00 4.14 H new ATOM 0 HD21 LEU A 174 -5.317 9.985 -23.274 1.00 4.09 H new ATOM 0 HD22 LEU A 174 -4.254 8.727 -23.950 1.00 4.09 H new ATOM 0 HD23 LEU A 174 -5.953 8.350 -23.577 1.00 4.09 H new ATOM 2686 N LYS A 175 -4.651 4.437 -20.621 1.00 2.71 N ATOM 2687 CA LYS A 175 -4.373 3.117 -20.043 1.00 2.98 C ATOM 2688 C LYS A 175 -3.130 2.459 -20.667 1.00 2.92 C ATOM 2689 O LYS A 175 -2.526 3.000 -21.595 1.00 3.27 O ATOM 2690 CB LYS A 175 -5.606 2.212 -20.192 1.00 3.56 C ATOM 2691 CG LYS A 175 -5.629 1.025 -19.241 1.00 3.99 C ATOM 2692 CD LYS A 175 -6.882 0.188 -19.434 1.00 4.91 C ATOM 2693 CE LYS A 175 -6.980 -0.915 -18.392 1.00 5.73 C ATOM 2694 NZ LYS A 175 -7.034 -0.367 -17.010 1.00 6.31 N ATOM 0 H LYS A 175 -4.483 5.207 -19.974 1.00 2.71 H new ATOM 0 HA LYS A 175 -4.156 3.255 -18.984 1.00 2.98 H new ATOM 0 HB2 LYS A 175 -6.503 2.810 -20.030 1.00 3.56 H new ATOM 0 HB3 LYS A 175 -5.650 1.843 -21.217 1.00 3.56 H new ATOM 0 HG2 LYS A 175 -4.747 0.407 -19.406 1.00 3.99 H new ATOM 0 HG3 LYS A 175 -5.581 1.380 -18.212 1.00 3.99 H new ATOM 0 HD2 LYS A 175 -7.762 0.828 -19.372 1.00 4.91 H new ATOM 0 HD3 LYS A 175 -6.877 -0.251 -20.431 1.00 4.91 H new ATOM 0 HE2 LYS A 175 -7.871 -1.515 -18.580 1.00 5.73 H new ATOM 0 HE3 LYS A 175 -6.122 -1.581 -18.486 1.00 5.73 H new ATOM 0 HZ1 LYS A 175 -6.779 -1.112 -16.331 1.00 6.31 H new ATOM 0 HZ2 LYS A 175 -6.364 0.424 -16.924 1.00 6.31 H new ATOM 0 HZ3 LYS A 175 -7.997 -0.029 -16.808 1.00 6.31 H new ATOM 2708 N ALA A 176 -2.758 1.298 -20.117 1.00 3.23 N ATOM 2709 CA ALA A 176 -1.620 0.497 -20.582 1.00 3.81 C ATOM 2710 C ALA A 176 -0.277 1.111 -20.185 1.00 4.06 C ATOM 2711 O ALA A 176 0.309 0.724 -19.172 1.00 4.47 O ATOM 2712 CB ALA A 176 -1.686 0.243 -22.083 1.00 4.57 C ATOM 0 H ALA A 176 -3.247 0.882 -19.324 1.00 3.23 H new ATOM 0 HA ALA A 176 -1.693 -0.467 -20.078 1.00 3.81 H new ATOM 0 HB1 ALA A 176 -0.826 -0.353 -22.389 1.00 4.57 H new ATOM 0 HB2 ALA A 176 -2.604 -0.295 -22.321 1.00 4.57 H new ATOM 0 HB3 ALA A 176 -1.675 1.195 -22.614 1.00 4.57 H new ATOM 2718 N ASN A 177 0.203 2.072 -20.967 1.00 4.28 N ATOM 2719 CA ASN A 177 1.524 2.657 -20.734 1.00 4.87 C ATOM 2720 C ASN A 177 1.677 3.992 -21.475 1.00 5.36 C ATOM 2721 O ASN A 177 1.927 5.017 -20.840 1.00 5.81 O ATOM 2722 CB ASN A 177 2.633 1.672 -21.153 1.00 5.37 C ATOM 2723 CG ASN A 177 4.038 2.115 -20.762 1.00 5.96 C ATOM 2724 OD1 ASN A 177 4.336 3.304 -20.646 1.00 6.37 O ATOM 2725 ND2 ASN A 177 4.922 1.148 -20.571 1.00 6.38 N ATOM 0 H ASN A 177 -0.298 2.463 -21.765 1.00 4.28 H new ATOM 0 HA ASN A 177 1.621 2.854 -19.666 1.00 4.87 H new ATOM 0 HB2 ASN A 177 2.431 0.701 -20.702 1.00 5.37 H new ATOM 0 HB3 ASN A 177 2.594 1.536 -22.234 1.00 5.37 H new ATOM 0 HD21 ASN A 177 5.883 1.378 -20.320 1.00 6.38 H new ATOM 0 HD22 ASN A 177 4.642 0.173 -20.675 1.00 6.38 H new ATOM 2732 N PRO A 178 1.523 4.017 -22.819 1.00 5.69 N ATOM 2733 CA PRO A 178 1.742 5.221 -23.617 1.00 6.51 C ATOM 2734 C PRO A 178 0.509 6.122 -23.675 1.00 7.07 C ATOM 2735 O PRO A 178 -0.345 5.916 -24.565 1.00 7.39 O ATOM 2736 CB PRO A 178 2.075 4.671 -25.016 1.00 6.95 C ATOM 2737 CG PRO A 178 1.907 3.181 -24.937 1.00 6.50 C ATOM 2738 CD PRO A 178 1.131 2.902 -23.682 1.00 5.73 C ATOM 2739 OXT PRO A 178 0.406 7.047 -22.840 1.00 7.47 O ATOM 0 HA PRO A 178 2.526 5.848 -23.193 1.00 6.51 H new ATOM 0 HB2 PRO A 178 1.412 5.097 -25.769 1.00 6.95 H new ATOM 0 HB3 PRO A 178 3.093 4.932 -25.304 1.00 6.95 H new ATOM 0 HG2 PRO A 178 1.377 2.804 -25.812 1.00 6.50 H new ATOM 0 HG3 PRO A 178 2.876 2.683 -24.912 1.00 6.50 H new ATOM 0 HD2 PRO A 178 0.056 2.886 -23.863 1.00 5.73 H new ATOM 0 HD3 PRO A 178 1.395 1.938 -23.246 1.00 5.73 H new TER 2747 PRO A 178