USER MOD reduce.3.24.130724 H: found=0, std=0, add=1349, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1346 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 114 CYS SG : rot 86:sc= 0.823 USER MOD Set 1.2: A 120 GLN :FLIP amide:sc= -3.03! C(o=-8.4!,f=-2.2!) USER MOD Set 2.1: A 22 CYS SG : rot -99:sc= 2.1 USER MOD Set 2.2: A 26 CYS SG : rot 117:sc= -0.75 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 8:sc= -0.0385! USER MOD Single : A 10 TYR OH : rot 120:sc= -2.59! USER MOD Single : A 14 ASN : amide:sc= -0.484! K(o=-0.48!,f=-1.1) USER MOD Single : A 16 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.36) USER MOD Single : A 20 TYR OH : rot -131:sc= 0.862 USER MOD Single : A 24 CYS SG : rot -83:sc= 1.04 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -17:sc= 0.382 USER MOD Single : A 36 CYS SG : rot 38:sc= -3.26 USER MOD Single : A 37 ASN :FLIP amide:sc= -4.18! C(o=-5.9!,f=-4.2!) USER MOD Single : A 38 SER OG : rot 53:sc= 1.22 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.28) USER MOD Single : A 55 SER OG : rot 37:sc= 0.0996 USER MOD Single : A 57 HIS :FLIP no HD1:sc= -2.52! C(o=-3.6!,f=-2.5!) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 90:sc= -1.62 USER MOD Single : A 63 GLN : amide:sc= -0.387 X(o=-0.39,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0524 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -2.13 F(o=-3.1,f=-2.1) USER MOD Single : A 81 SER OG : rot -100:sc= -0.178 USER MOD Single : A 82 CYS SG : rot 28:sc= -0.402 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 24:sc= 0.308 USER MOD Single : A 92 GLN :FLIP amide:sc= -0.817 F(o=-2!,f=-0.82) USER MOD Single : A 94 LYS NZ :NH3+ -126:sc= -2.3 (180deg=-4.7!) USER MOD Single : A 96 GLN : amide:sc= -3.59! C(o=-3.6!,f=-4.4!) USER MOD Single : A 100 LYS NZ :NH3+ 163:sc= -0.559 (180deg=-0.789) USER MOD Single : A 104 ASN :FLIP amide:sc= -2.47! C(o=-4.3!,f=-2.5!) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.4 F(o=-2.8!,f=-0.4) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0331 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 140:sc=-0.00305 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HD1:sc= -1.83! C(o=-1.8!,f=-3.9!) USER MOD Single : A 127 HIS : no HD1:sc= -0.424 X(o=-0.42,f=-0.037) USER MOD Single : A 128 SER OG : rot -104:sc= -0.422 USER MOD Single : A 129 CYS SG : rot -148:sc= -2.21! USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 ASN :FLIP amide:sc= -1.08! C(o=-4.7!,f=-1.1!) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -0.314 K(o=-0.31,f=-0.97) USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 TYR OH : rot 180:sc= -0.476 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 SER OG : rot 180:sc= -0.406 USER MOD Single : A 170 GLN : amide:sc= -7.27! C(o=-7.3!,f=-8.7!) USER MOD Single : A 171 SER OG : rot -162:sc= -1.17! USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 14.070 -12.072 1.005 1.00 0.01 N ATOM 58 CA GLY A 5 13.738 -10.843 0.230 1.00 0.01 C ATOM 59 C GLY A 5 14.881 -9.837 0.360 1.00 0.01 C ATOM 60 O GLY A 5 15.522 -9.744 1.387 1.00 0.01 O ATOM 0 HA2 GLY A 5 13.577 -11.093 -0.819 1.00 0.01 H new ATOM 0 HA3 GLY A 5 12.810 -10.406 0.600 1.00 0.01 H new ATOM 64 N LYS A 6 15.147 -9.086 -0.675 1.00 0.00 N ATOM 65 CA LYS A 6 16.259 -8.086 -0.614 1.00 0.01 C ATOM 66 C LYS A 6 15.972 -6.930 -1.577 1.00 0.01 C ATOM 67 O LYS A 6 15.535 -7.135 -2.699 1.00 0.00 O ATOM 68 CB LYS A 6 17.591 -8.765 -0.987 1.00 0.02 C ATOM 69 CG LYS A 6 18.762 -8.078 -0.270 1.00 0.02 C ATOM 70 CD LYS A 6 20.071 -8.811 -0.599 1.00 0.02 C ATOM 71 CE LYS A 6 21.134 -8.476 0.453 1.00 0.02 C ATOM 72 NZ LYS A 6 22.485 -8.798 -0.087 1.00 0.02 N ATOM 0 H LYS A 6 14.644 -9.120 -1.562 1.00 0.00 H new ATOM 0 HA LYS A 6 16.332 -7.692 0.400 1.00 0.01 H new ATOM 0 HB2 LYS A 6 17.558 -9.820 -0.714 1.00 0.02 H new ATOM 0 HB3 LYS A 6 17.740 -8.720 -2.066 1.00 0.02 H new ATOM 0 HG2 LYS A 6 18.830 -7.035 -0.580 1.00 0.02 H new ATOM 0 HG3 LYS A 6 18.593 -8.080 0.807 1.00 0.02 H new ATOM 0 HD2 LYS A 6 19.899 -9.887 -0.625 1.00 0.02 H new ATOM 0 HD3 LYS A 6 20.422 -8.520 -1.589 1.00 0.02 H new ATOM 0 HE2 LYS A 6 21.079 -7.420 0.718 1.00 0.02 H new ATOM 0 HE3 LYS A 6 20.950 -9.044 1.365 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 23.207 -8.571 0.626 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 22.534 -9.811 -0.319 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 22.658 -8.237 -0.946 1.00 0.02 H new ATOM 86 N ILE A 7 16.240 -5.717 -1.138 1.00 0.02 N ATOM 87 CA ILE A 7 16.016 -4.511 -1.998 1.00 0.00 C ATOM 88 C ILE A 7 17.276 -3.635 -1.989 1.00 0.02 C ATOM 89 O ILE A 7 17.922 -3.471 -0.972 1.00 0.01 O ATOM 90 CB ILE A 7 14.803 -3.736 -1.477 1.00 0.02 C ATOM 91 CG1 ILE A 7 14.686 -2.397 -2.213 1.00 0.02 C ATOM 92 CG2 ILE A 7 14.963 -3.478 0.018 1.00 0.01 C ATOM 93 CD1 ILE A 7 13.341 -1.745 -1.877 1.00 0.02 C ATOM 0 H ILE A 7 16.609 -5.513 -0.209 1.00 0.02 H new ATOM 0 HA ILE A 7 15.817 -4.815 -3.026 1.00 0.00 H new ATOM 0 HB ILE A 7 13.902 -4.325 -1.652 1.00 0.02 H new ATOM 0 HG12 ILE A 7 15.504 -1.738 -1.923 1.00 0.02 H new ATOM 0 HG13 ILE A 7 14.768 -2.553 -3.289 1.00 0.02 H new ATOM 0 HG21 ILE A 7 14.098 -2.926 0.387 1.00 0.01 H new ATOM 0 HG22 ILE A 7 15.038 -4.429 0.545 1.00 0.01 H new ATOM 0 HG23 ILE A 7 15.867 -2.894 0.192 1.00 0.01 H new ATOM 0 HD11 ILE A 7 13.258 -0.793 -2.400 1.00 0.02 H new ATOM 0 HD12 ILE A 7 12.530 -2.403 -2.189 1.00 0.02 H new ATOM 0 HD13 ILE A 7 13.277 -1.575 -0.802 1.00 0.02 H new ATOM 105 N SER A 8 17.626 -3.063 -3.121 1.00 0.02 N ATOM 106 CA SER A 8 18.843 -2.183 -3.199 1.00 0.02 C ATOM 107 C SER A 8 18.451 -0.783 -3.696 1.00 0.01 C ATOM 108 O SER A 8 17.772 -0.635 -4.691 1.00 0.02 O ATOM 109 CB SER A 8 19.874 -2.798 -4.151 1.00 0.30 C ATOM 110 OG SER A 8 21.175 -2.369 -3.770 1.00 0.39 O ATOM 0 H SER A 8 17.118 -3.168 -3.999 1.00 0.02 H new ATOM 0 HA SER A 8 19.279 -2.099 -2.204 1.00 0.02 H new ATOM 0 HB2 SER A 8 19.813 -3.886 -4.119 1.00 0.30 H new ATOM 0 HB3 SER A 8 19.664 -2.497 -5.177 1.00 0.30 H new ATOM 0 HG SER A 8 21.125 -1.893 -2.915 1.00 0.39 H new ATOM 116 N PHE A 9 18.895 0.241 -3.003 1.00 0.02 N ATOM 117 CA PHE A 9 18.583 1.652 -3.412 1.00 0.01 C ATOM 118 C PHE A 9 19.870 2.340 -3.902 1.00 0.01 C ATOM 119 O PHE A 9 20.931 2.145 -3.339 1.00 0.02 O ATOM 120 CB PHE A 9 18.030 2.422 -2.204 1.00 0.02 C ATOM 121 CG PHE A 9 17.122 1.528 -1.389 1.00 0.01 C ATOM 122 CD1 PHE A 9 17.670 0.509 -0.601 1.00 0.01 C ATOM 123 CD2 PHE A 9 15.734 1.723 -1.415 1.00 0.01 C ATOM 124 CE1 PHE A 9 16.832 -0.314 0.162 1.00 0.02 C ATOM 125 CE2 PHE A 9 14.897 0.899 -0.653 1.00 0.02 C ATOM 126 CZ PHE A 9 15.446 -0.119 0.136 1.00 0.02 C ATOM 0 H PHE A 9 19.467 0.159 -2.162 1.00 0.02 H new ATOM 0 HA PHE A 9 17.844 1.642 -4.213 1.00 0.01 H new ATOM 0 HB2 PHE A 9 18.852 2.781 -1.584 1.00 0.02 H new ATOM 0 HB3 PHE A 9 17.480 3.300 -2.543 1.00 0.02 H new ATOM 0 HD1 PHE A 9 18.739 0.357 -0.581 1.00 0.01 H new ATOM 0 HD2 PHE A 9 15.310 2.509 -2.023 1.00 0.01 H new ATOM 0 HE1 PHE A 9 17.255 -1.099 0.771 1.00 0.02 H new ATOM 0 HE2 PHE A 9 13.828 1.049 -0.674 1.00 0.02 H new ATOM 0 HZ PHE A 9 14.800 -0.754 0.725 1.00 0.02 H new ATOM 136 N TYR A 10 19.784 3.142 -4.944 1.00 0.02 N ATOM 137 CA TYR A 10 21.003 3.847 -5.474 1.00 0.01 C ATOM 138 C TYR A 10 20.771 5.365 -5.449 1.00 0.02 C ATOM 139 O TYR A 10 19.694 5.848 -5.752 1.00 0.01 O ATOM 140 CB TYR A 10 21.262 3.407 -6.919 1.00 0.02 C ATOM 141 CG TYR A 10 21.108 1.906 -7.038 1.00 0.02 C ATOM 142 CD1 TYR A 10 19.835 1.326 -6.987 1.00 0.02 C ATOM 143 CD2 TYR A 10 22.238 1.094 -7.206 1.00 0.00 C ATOM 144 CE1 TYR A 10 19.691 -0.061 -7.104 1.00 0.02 C ATOM 145 CE2 TYR A 10 22.093 -0.293 -7.321 1.00 0.02 C ATOM 146 CZ TYR A 10 20.818 -0.870 -7.271 1.00 0.00 C ATOM 147 OH TYR A 10 20.674 -2.238 -7.386 1.00 0.02 O ATOM 0 H TYR A 10 18.921 3.339 -5.451 1.00 0.02 H new ATOM 0 HA TYR A 10 21.862 3.595 -4.852 1.00 0.01 H new ATOM 0 HB2 TYR A 10 20.564 3.907 -7.591 1.00 0.02 H new ATOM 0 HB3 TYR A 10 22.266 3.703 -7.224 1.00 0.02 H new ATOM 0 HD1 TYR A 10 18.963 1.950 -6.857 1.00 0.02 H new ATOM 0 HD2 TYR A 10 23.221 1.539 -7.247 1.00 0.00 H new ATOM 0 HE1 TYR A 10 18.708 -0.507 -7.065 1.00 0.02 H new ATOM 0 HE2 TYR A 10 22.964 -0.918 -7.448 1.00 0.02 H new ATOM 0 HH TYR A 10 21.032 -2.533 -8.249 1.00 0.02 H new ATOM 157 N GLU A 11 21.763 6.123 -5.057 1.00 0.00 N ATOM 158 CA GLU A 11 21.578 7.599 -4.977 1.00 0.02 C ATOM 159 C GLU A 11 21.430 8.222 -6.367 1.00 0.03 C ATOM 160 O GLU A 11 20.802 9.253 -6.505 1.00 0.03 O ATOM 161 CB GLU A 11 22.787 8.224 -4.282 1.00 0.00 C ATOM 162 CG GLU A 11 22.910 7.656 -2.869 1.00 0.00 C ATOM 163 CD GLU A 11 23.959 8.448 -2.086 1.00 0.02 C ATOM 164 OE1 GLU A 11 25.064 8.585 -2.587 1.00 0.02 O ATOM 165 OE2 GLU A 11 23.640 8.902 -0.999 1.00 0.01 O ATOM 0 H GLU A 11 22.687 5.784 -4.791 1.00 0.00 H new ATOM 0 HA GLU A 11 20.666 7.794 -4.412 1.00 0.02 H new ATOM 0 HB2 GLU A 11 23.694 8.016 -4.850 1.00 0.00 H new ATOM 0 HB3 GLU A 11 22.677 9.308 -4.242 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.947 7.707 -2.361 1.00 0.00 H new ATOM 0 HG3 GLU A 11 23.192 6.604 -2.913 1.00 0.00 H new ATOM 172 N ASP A 12 21.989 7.628 -7.401 1.00 0.02 N ATOM 173 CA ASP A 12 21.853 8.223 -8.772 1.00 0.01 C ATOM 174 C ASP A 12 21.036 7.289 -9.670 1.00 0.02 C ATOM 175 O ASP A 12 20.726 6.169 -9.316 1.00 0.02 O ATOM 176 CB ASP A 12 23.238 8.431 -9.391 1.00 0.01 C ATOM 177 CG ASP A 12 24.181 9.025 -8.342 1.00 0.01 C ATOM 178 OD1 ASP A 12 23.693 9.443 -7.304 1.00 0.02 O ATOM 179 OD2 ASP A 12 25.375 9.055 -8.595 1.00 0.03 O ATOM 0 H ASP A 12 22.529 6.764 -7.354 1.00 0.02 H new ATOM 0 HA ASP A 12 21.344 9.183 -8.687 1.00 0.01 H new ATOM 0 HB2 ASP A 12 23.632 7.482 -9.754 1.00 0.01 H new ATOM 0 HB3 ASP A 12 23.168 9.097 -10.251 1.00 0.01 H new ATOM 184 N ARG A 13 20.684 7.768 -10.828 1.00 0.02 N ATOM 185 CA ARG A 13 19.877 6.960 -11.787 1.00 0.02 C ATOM 186 C ARG A 13 20.757 5.902 -12.464 1.00 0.00 C ATOM 187 O ARG A 13 21.972 5.983 -12.461 1.00 0.02 O ATOM 188 CB ARG A 13 19.304 7.901 -12.847 1.00 0.00 C ATOM 189 CG ARG A 13 18.170 8.726 -12.236 1.00 0.01 C ATOM 190 CD ARG A 13 17.630 9.705 -13.280 1.00 0.02 C ATOM 191 NE ARG A 13 18.685 10.701 -13.621 1.00 0.03 N ATOM 192 CZ ARG A 13 18.563 11.443 -14.686 1.00 0.02 C ATOM 193 NH1 ARG A 13 17.518 11.312 -15.458 1.00 0.02 N ATOM 194 NH2 ARG A 13 19.485 12.316 -14.983 1.00 0.02 N ATOM 0 H ARG A 13 20.925 8.702 -11.158 1.00 0.02 H new ATOM 0 HA ARG A 13 19.073 6.453 -11.253 1.00 0.02 H new ATOM 0 HB2 ARG A 13 20.086 8.560 -13.224 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.934 7.327 -13.697 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.372 8.068 -11.892 1.00 0.01 H new ATOM 0 HG3 ARG A 13 18.532 9.271 -11.364 1.00 0.01 H new ATOM 0 HD2 ARG A 13 17.322 9.165 -14.175 1.00 0.02 H new ATOM 0 HD3 ARG A 13 16.746 10.213 -12.894 1.00 0.02 H new ATOM 0 HE ARG A 13 19.503 10.802 -13.021 1.00 0.03 H new ATOM 0 HH11 ARG A 13 16.796 10.629 -15.228 1.00 0.02 H new ATOM 0 HH12 ARG A 13 17.423 11.893 -16.291 1.00 0.02 H new ATOM 0 HH21 ARG A 13 20.303 12.419 -14.382 1.00 0.02 H new ATOM 0 HH22 ARG A 13 19.389 12.896 -15.816 1.00 0.02 H new ATOM 208 N ASN A 14 20.134 4.907 -13.040 1.00 0.02 N ATOM 209 CA ASN A 14 20.884 3.824 -13.741 1.00 0.02 C ATOM 210 C ASN A 14 21.781 3.069 -12.765 1.00 0.02 C ATOM 211 O ASN A 14 22.840 2.579 -13.107 1.00 0.02 O ATOM 212 CB ASN A 14 21.712 4.438 -14.876 1.00 0.26 C ATOM 213 CG ASN A 14 22.149 3.336 -15.843 1.00 0.12 C ATOM 214 OD1 ASN A 14 21.544 3.145 -16.879 1.00 0.74 O ATOM 215 ND2 ASN A 14 23.184 2.598 -15.546 1.00 0.46 N ATOM 0 H ASN A 14 19.120 4.798 -13.054 1.00 0.02 H new ATOM 0 HA ASN A 14 20.176 3.109 -14.159 1.00 0.02 H new ATOM 0 HB2 ASN A 14 21.124 5.188 -15.405 1.00 0.26 H new ATOM 0 HB3 ASN A 14 22.586 4.947 -14.469 1.00 0.26 H new ATOM 0 HD21 ASN A 14 23.485 1.861 -16.184 1.00 0.46 H new ATOM 0 HD22 ASN A 14 23.692 2.758 -14.676 1.00 0.46 H new ATOM 222 N PHE A 15 21.325 2.955 -11.550 1.00 0.02 N ATOM 223 CA PHE A 15 22.084 2.214 -10.506 1.00 0.02 C ATOM 224 C PHE A 15 23.503 2.769 -10.368 1.00 0.00 C ATOM 225 O PHE A 15 24.452 2.032 -10.187 1.00 0.02 O ATOM 226 CB PHE A 15 22.146 0.724 -10.890 1.00 0.02 C ATOM 227 CG PHE A 15 20.891 0.340 -11.642 1.00 0.02 C ATOM 228 CD1 PHE A 15 19.697 0.117 -10.945 1.00 0.02 C ATOM 229 CD2 PHE A 15 20.923 0.207 -13.037 1.00 0.02 C ATOM 230 CE1 PHE A 15 18.535 -0.237 -11.643 1.00 0.02 C ATOM 231 CE2 PHE A 15 19.761 -0.148 -13.733 1.00 0.02 C ATOM 232 CZ PHE A 15 18.567 -0.369 -13.037 1.00 0.02 C ATOM 0 H PHE A 15 20.441 3.352 -11.231 1.00 0.02 H new ATOM 0 HA PHE A 15 21.575 2.333 -9.549 1.00 0.02 H new ATOM 0 HB2 PHE A 15 23.024 0.534 -11.507 1.00 0.02 H new ATOM 0 HB3 PHE A 15 22.247 0.111 -9.994 1.00 0.02 H new ATOM 0 HD1 PHE A 15 19.672 0.218 -9.870 1.00 0.02 H new ATOM 0 HD2 PHE A 15 21.844 0.378 -13.575 1.00 0.02 H new ATOM 0 HE1 PHE A 15 17.614 -0.408 -11.106 1.00 0.02 H new ATOM 0 HE2 PHE A 15 19.786 -0.251 -14.808 1.00 0.02 H new ATOM 0 HZ PHE A 15 17.671 -0.641 -13.575 1.00 0.02 H new ATOM 242 N GLN A 16 23.647 4.069 -10.429 1.00 0.02 N ATOM 243 CA GLN A 16 24.994 4.697 -10.275 1.00 0.02 C ATOM 244 C GLN A 16 25.028 5.434 -8.930 1.00 0.02 C ATOM 245 O GLN A 16 24.002 5.660 -8.312 1.00 0.02 O ATOM 246 CB GLN A 16 25.222 5.700 -11.414 1.00 0.02 C ATOM 247 CG GLN A 16 25.621 4.949 -12.686 1.00 0.00 C ATOM 248 CD GLN A 16 27.049 4.421 -12.535 1.00 0.00 C ATOM 249 OE1 GLN A 16 27.961 5.173 -12.251 1.00 0.02 O ATOM 250 NE2 GLN A 16 27.282 3.151 -12.716 1.00 0.02 N ATOM 0 H GLN A 16 22.882 4.727 -10.580 1.00 0.02 H new ATOM 0 HA GLN A 16 25.773 3.936 -10.309 1.00 0.02 H new ATOM 0 HB2 GLN A 16 24.315 6.278 -11.590 1.00 0.02 H new ATOM 0 HB3 GLN A 16 26.003 6.408 -11.138 1.00 0.02 H new ATOM 0 HG2 GLN A 16 24.933 4.123 -12.865 1.00 0.00 H new ATOM 0 HG3 GLN A 16 25.555 5.612 -13.549 1.00 0.00 H new ATOM 0 HE21 GLN A 16 26.516 2.521 -12.954 1.00 0.02 H new ATOM 0 HE22 GLN A 16 28.230 2.788 -12.619 1.00 0.02 H new ATOM 259 N GLY A 17 26.189 5.806 -8.462 1.00 0.03 N ATOM 260 CA GLY A 17 26.269 6.526 -7.155 1.00 0.03 C ATOM 261 C GLY A 17 26.413 5.529 -5.999 1.00 0.02 C ATOM 262 O GLY A 17 26.654 4.355 -6.204 1.00 0.02 O ATOM 0 H GLY A 17 27.083 5.644 -8.925 1.00 0.03 H new ATOM 0 HA2 GLY A 17 27.118 7.209 -7.161 1.00 0.03 H new ATOM 0 HA3 GLY A 17 25.374 7.131 -7.011 1.00 0.03 H new ATOM 266 N ARG A 18 26.255 5.989 -4.789 1.00 0.00 N ATOM 267 CA ARG A 18 26.365 5.078 -3.613 1.00 0.02 C ATOM 268 C ARG A 18 25.176 4.118 -3.618 1.00 0.02 C ATOM 269 O ARG A 18 24.077 4.473 -3.999 1.00 0.02 O ATOM 270 CB ARG A 18 26.357 5.914 -2.330 1.00 0.79 C ATOM 271 CG ARG A 18 26.872 5.066 -1.165 1.00 1.49 C ATOM 272 CD ARG A 18 26.838 5.891 0.122 1.00 1.42 C ATOM 273 NE ARG A 18 27.791 7.029 0.005 1.00 2.07 N ATOM 274 CZ ARG A 18 27.723 8.024 0.847 1.00 2.35 C ATOM 275 NH1 ARG A 18 26.822 8.018 1.791 1.00 2.53 N ATOM 276 NH2 ARG A 18 28.556 9.022 0.743 1.00 2.76 N ATOM 0 H ARG A 18 26.053 6.963 -4.562 1.00 0.00 H new ATOM 0 HA ARG A 18 27.292 4.506 -3.663 1.00 0.02 H new ATOM 0 HB2 ARG A 18 26.983 6.798 -2.455 1.00 0.79 H new ATOM 0 HB3 ARG A 18 25.347 6.266 -2.119 1.00 0.79 H new ATOM 0 HG2 ARG A 18 26.258 4.172 -1.053 1.00 1.49 H new ATOM 0 HG3 ARG A 18 27.889 4.731 -1.368 1.00 1.49 H new ATOM 0 HD2 ARG A 18 25.830 6.264 0.302 1.00 1.42 H new ATOM 0 HD3 ARG A 18 27.103 5.266 0.975 1.00 1.42 H new ATOM 0 HE ARG A 18 28.496 7.031 -0.732 1.00 2.07 H new ATOM 0 HH11 ARG A 18 26.172 7.236 1.870 1.00 2.53 H new ATOM 0 HH12 ARG A 18 26.768 8.795 2.449 1.00 2.53 H new ATOM 0 HH21 ARG A 18 29.259 9.024 0.004 1.00 2.76 H new ATOM 0 HH22 ARG A 18 28.504 9.800 1.400 1.00 2.76 H new ATOM 290 N ARG A 19 25.402 2.887 -3.218 1.00 0.02 N ATOM 291 CA ARG A 19 24.312 1.861 -3.213 1.00 0.02 C ATOM 292 C ARG A 19 24.129 1.301 -1.799 1.00 0.02 C ATOM 293 O ARG A 19 25.066 1.203 -1.033 1.00 0.02 O ATOM 294 CB ARG A 19 24.730 0.717 -4.146 1.00 0.85 C ATOM 295 CG ARG A 19 23.597 -0.305 -4.291 1.00 1.31 C ATOM 296 CD ARG A 19 24.122 -1.532 -5.042 1.00 1.34 C ATOM 297 NE ARG A 19 22.977 -2.364 -5.508 1.00 1.50 N ATOM 298 CZ ARG A 19 23.172 -3.302 -6.395 1.00 1.63 C ATOM 299 NH1 ARG A 19 24.367 -3.501 -6.881 1.00 1.72 N ATOM 300 NH2 ARG A 19 22.172 -4.038 -6.796 1.00 1.89 N ATOM 0 H ARG A 19 26.307 2.548 -2.891 1.00 0.02 H new ATOM 0 HA ARG A 19 23.377 2.313 -3.544 1.00 0.02 H new ATOM 0 HB2 ARG A 19 24.993 1.117 -5.125 1.00 0.85 H new ATOM 0 HB3 ARG A 19 25.620 0.227 -3.752 1.00 0.85 H new ATOM 0 HG2 ARG A 19 23.225 -0.596 -3.309 1.00 1.31 H new ATOM 0 HG3 ARG A 19 22.759 0.136 -4.831 1.00 1.31 H new ATOM 0 HD2 ARG A 19 24.726 -1.218 -5.893 1.00 1.34 H new ATOM 0 HD3 ARG A 19 24.769 -2.119 -4.391 1.00 1.34 H new ATOM 0 HE ARG A 19 22.042 -2.201 -5.134 1.00 1.50 H new ATOM 0 HH11 ARG A 19 25.148 -2.924 -6.568 1.00 1.72 H new ATOM 0 HH12 ARG A 19 24.520 -4.234 -7.574 1.00 1.72 H new ATOM 0 HH21 ARG A 19 21.238 -3.880 -6.417 1.00 1.89 H new ATOM 0 HH22 ARG A 19 22.324 -4.771 -7.489 1.00 1.89 H new ATOM 314 N TYR A 20 22.926 0.898 -1.469 1.00 0.02 N ATOM 315 CA TYR A 20 22.674 0.293 -0.120 1.00 0.02 C ATOM 316 C TYR A 20 21.744 -0.915 -0.268 1.00 0.02 C ATOM 317 O TYR A 20 20.746 -0.851 -0.954 1.00 0.02 O ATOM 318 CB TYR A 20 22.067 1.319 0.855 1.00 0.02 C ATOM 319 CG TYR A 20 22.553 0.997 2.256 1.00 0.01 C ATOM 320 CD1 TYR A 20 21.970 -0.053 2.977 1.00 0.01 C ATOM 321 CD2 TYR A 20 23.614 1.721 2.812 1.00 0.02 C ATOM 322 CE1 TYR A 20 22.446 -0.371 4.257 1.00 0.02 C ATOM 323 CE2 TYR A 20 24.092 1.399 4.088 1.00 0.02 C ATOM 324 CZ TYR A 20 23.507 0.354 4.810 1.00 0.02 C ATOM 325 OH TYR A 20 23.978 0.037 6.070 1.00 0.01 O ATOM 0 H TYR A 20 22.107 0.961 -2.074 1.00 0.02 H new ATOM 0 HA TYR A 20 23.629 -0.029 0.296 1.00 0.02 H new ATOM 0 HB2 TYR A 20 22.363 2.330 0.574 1.00 0.02 H new ATOM 0 HB3 TYR A 20 20.978 1.283 0.814 1.00 0.02 H new ATOM 0 HD1 TYR A 20 21.155 -0.617 2.548 1.00 0.01 H new ATOM 0 HD2 TYR A 20 24.065 2.530 2.256 1.00 0.02 H new ATOM 0 HE1 TYR A 20 21.993 -1.176 4.816 1.00 0.02 H new ATOM 0 HE2 TYR A 20 24.912 1.957 4.514 1.00 0.02 H new ATOM 0 HH TYR A 20 24.046 0.853 6.609 1.00 0.01 H new ATOM 335 N ASP A 21 22.059 -2.010 0.377 1.00 0.01 N ATOM 336 CA ASP A 21 21.196 -3.233 0.291 1.00 0.02 C ATOM 337 C ASP A 21 20.505 -3.465 1.642 1.00 0.00 C ATOM 338 O ASP A 21 21.108 -3.334 2.688 1.00 0.01 O ATOM 339 CB ASP A 21 22.087 -4.434 -0.040 1.00 0.12 C ATOM 340 CG ASP A 21 23.042 -4.703 1.125 1.00 0.41 C ATOM 341 OD1 ASP A 21 22.575 -5.164 2.153 1.00 1.12 O ATOM 342 OD2 ASP A 21 24.224 -4.440 0.969 1.00 0.56 O ATOM 0 H ASP A 21 22.885 -2.112 0.966 1.00 0.01 H new ATOM 0 HA ASP A 21 20.438 -3.105 -0.482 1.00 0.02 H new ATOM 0 HB2 ASP A 21 21.472 -5.314 -0.230 1.00 0.12 H new ATOM 0 HB3 ASP A 21 22.654 -4.239 -0.950 1.00 0.12 H new ATOM 347 N CYS A 22 19.230 -3.799 1.617 1.00 0.01 N ATOM 348 CA CYS A 22 18.469 -4.035 2.890 1.00 0.00 C ATOM 349 C CYS A 22 17.767 -5.394 2.821 1.00 0.02 C ATOM 350 O CYS A 22 17.218 -5.771 1.800 1.00 0.01 O ATOM 351 CB CYS A 22 17.429 -2.927 3.069 1.00 0.00 C ATOM 352 SG CYS A 22 16.818 -2.938 4.773 1.00 0.02 S ATOM 0 H CYS A 22 18.683 -3.918 0.764 1.00 0.01 H new ATOM 0 HA CYS A 22 19.157 -4.028 3.735 1.00 0.00 H new ATOM 0 HB2 CYS A 22 17.871 -1.958 2.837 1.00 0.00 H new ATOM 0 HB3 CYS A 22 16.602 -3.075 2.374 1.00 0.00 H new ATOM 0 HG CYS A 22 15.683 -3.570 4.823 1.00 0.02 H new ATOM 358 N ASP A 23 17.791 -6.137 3.904 1.00 0.01 N ATOM 359 CA ASP A 23 17.143 -7.488 3.931 1.00 0.02 C ATOM 360 C ASP A 23 16.026 -7.529 4.983 1.00 0.00 C ATOM 361 O ASP A 23 15.517 -8.583 5.308 1.00 0.02 O ATOM 362 CB ASP A 23 18.204 -8.537 4.278 1.00 0.16 C ATOM 363 CG ASP A 23 17.603 -9.936 4.137 1.00 0.17 C ATOM 364 OD1 ASP A 23 17.175 -10.267 3.044 1.00 0.20 O ATOM 365 OD2 ASP A 23 17.583 -10.653 5.125 1.00 0.17 O ATOM 0 H ASP A 23 18.237 -5.861 4.779 1.00 0.01 H new ATOM 0 HA ASP A 23 16.708 -7.696 2.953 1.00 0.02 H new ATOM 0 HB2 ASP A 23 19.065 -8.431 3.618 1.00 0.16 H new ATOM 0 HB3 ASP A 23 18.562 -8.384 5.296 1.00 0.16 H new ATOM 370 N CYS A 24 15.626 -6.401 5.515 1.00 0.01 N ATOM 371 CA CYS A 24 14.533 -6.406 6.535 1.00 0.01 C ATOM 372 C CYS A 24 13.912 -5.005 6.612 1.00 0.01 C ATOM 373 O CYS A 24 14.386 -4.080 5.985 1.00 0.01 O ATOM 374 CB CYS A 24 15.107 -6.793 7.900 1.00 0.62 C ATOM 375 SG CYS A 24 13.754 -7.107 9.059 1.00 1.23 S ATOM 0 H CYS A 24 16.006 -5.482 5.289 1.00 0.01 H new ATOM 0 HA CYS A 24 13.768 -7.129 6.252 1.00 0.01 H new ATOM 0 HB2 CYS A 24 15.731 -7.681 7.805 1.00 0.62 H new ATOM 0 HB3 CYS A 24 15.745 -5.994 8.278 1.00 0.62 H new ATOM 0 HG CYS A 24 13.338 -5.980 9.556 1.00 1.23 H new ATOM 381 N ASP A 25 12.852 -4.832 7.363 1.00 0.02 N ATOM 382 CA ASP A 25 12.208 -3.486 7.457 1.00 0.01 C ATOM 383 C ASP A 25 13.171 -2.473 8.077 1.00 0.02 C ATOM 384 O ASP A 25 13.961 -2.798 8.940 1.00 0.00 O ATOM 385 CB ASP A 25 10.966 -3.586 8.345 1.00 0.01 C ATOM 386 CG ASP A 25 11.325 -4.301 9.649 1.00 0.01 C ATOM 387 OD1 ASP A 25 12.507 -4.433 9.923 1.00 0.01 O ATOM 388 OD2 ASP A 25 10.413 -4.701 10.354 1.00 0.01 O ATOM 0 H ASP A 25 12.405 -5.565 7.915 1.00 0.02 H new ATOM 0 HA ASP A 25 11.938 -3.157 6.454 1.00 0.01 H new ATOM 0 HB2 ASP A 25 10.578 -2.590 8.559 1.00 0.01 H new ATOM 0 HB3 ASP A 25 10.177 -4.130 7.825 1.00 0.01 H new ATOM 393 N CYS A 26 13.086 -1.235 7.649 1.00 0.01 N ATOM 394 CA CYS A 26 13.967 -0.163 8.214 1.00 0.01 C ATOM 395 C CYS A 26 13.112 1.077 8.532 1.00 0.01 C ATOM 396 O CYS A 26 12.496 1.653 7.656 1.00 0.01 O ATOM 397 CB CYS A 26 15.051 0.195 7.195 1.00 0.01 C ATOM 398 SG CYS A 26 16.400 -1.008 7.306 1.00 0.02 S ATOM 0 H CYS A 26 12.439 -0.919 6.927 1.00 0.01 H new ATOM 0 HA CYS A 26 14.443 -0.517 9.129 1.00 0.01 H new ATOM 0 HB2 CYS A 26 14.633 0.198 6.188 1.00 0.01 H new ATOM 0 HB3 CYS A 26 15.428 1.200 7.386 1.00 0.01 H new ATOM 0 HG CYS A 26 16.498 -1.656 6.183 1.00 0.02 H new ATOM 404 N ALA A 27 13.042 1.466 9.782 1.00 0.01 N ATOM 405 CA ALA A 27 12.193 2.638 10.165 1.00 0.01 C ATOM 406 C ALA A 27 12.888 3.966 9.837 1.00 0.01 C ATOM 407 O ALA A 27 12.242 4.984 9.685 1.00 0.02 O ATOM 408 CB ALA A 27 11.899 2.581 11.666 1.00 0.24 C ATOM 0 H ALA A 27 13.537 1.022 10.555 1.00 0.01 H new ATOM 0 HA ALA A 27 11.266 2.587 9.593 1.00 0.01 H new ATOM 0 HB1 ALA A 27 11.281 3.433 11.948 1.00 0.24 H new ATOM 0 HB2 ALA A 27 11.370 1.656 11.898 1.00 0.24 H new ATOM 0 HB3 ALA A 27 12.836 2.613 12.222 1.00 0.24 H new ATOM 414 N ASP A 28 14.189 3.975 9.737 1.00 0.01 N ATOM 415 CA ASP A 28 14.907 5.252 9.426 1.00 0.02 C ATOM 416 C ASP A 28 16.209 4.927 8.694 1.00 0.01 C ATOM 417 O ASP A 28 17.173 4.479 9.285 1.00 0.02 O ATOM 418 CB ASP A 28 15.212 6.004 10.724 1.00 0.67 C ATOM 419 CG ASP A 28 15.762 7.391 10.390 1.00 0.90 C ATOM 420 OD1 ASP A 28 15.148 8.074 9.588 1.00 1.14 O ATOM 421 OD2 ASP A 28 16.789 7.746 10.944 1.00 0.87 O ATOM 0 H ASP A 28 14.788 3.158 9.856 1.00 0.01 H new ATOM 0 HA ASP A 28 14.280 5.881 8.794 1.00 0.02 H new ATOM 0 HB2 ASP A 28 14.308 6.094 11.326 1.00 0.67 H new ATOM 0 HB3 ASP A 28 15.936 5.447 11.318 1.00 0.67 H new ATOM 426 N PHE A 29 16.233 5.134 7.404 1.00 0.02 N ATOM 427 CA PHE A 29 17.450 4.827 6.585 1.00 0.02 C ATOM 428 C PHE A 29 18.174 6.128 6.200 1.00 0.00 C ATOM 429 O PHE A 29 19.091 6.134 5.404 1.00 0.02 O ATOM 430 CB PHE A 29 16.985 4.057 5.319 1.00 2.87 C ATOM 431 CG PHE A 29 17.802 2.792 5.091 1.00 3.99 C ATOM 432 CD1 PHE A 29 17.968 1.854 6.124 1.00 4.68 C ATOM 433 CD2 PHE A 29 18.374 2.547 3.834 1.00 4.52 C ATOM 434 CE1 PHE A 29 18.699 0.683 5.897 1.00 5.85 C ATOM 435 CE2 PHE A 29 19.106 1.376 3.614 1.00 5.75 C ATOM 436 CZ PHE A 29 19.267 0.445 4.643 1.00 6.37 C ATOM 0 H PHE A 29 15.448 5.509 6.871 1.00 0.02 H new ATOM 0 HA PHE A 29 18.153 4.218 7.154 1.00 0.02 H new ATOM 0 HB2 PHE A 29 15.932 3.795 5.420 1.00 2.87 H new ATOM 0 HB3 PHE A 29 17.070 4.706 4.448 1.00 2.87 H new ATOM 0 HD1 PHE A 29 17.531 2.037 7.094 1.00 4.68 H new ATOM 0 HD2 PHE A 29 18.249 3.263 3.035 1.00 4.52 H new ATOM 0 HE1 PHE A 29 18.824 -0.038 6.692 1.00 5.85 H new ATOM 0 HE2 PHE A 29 19.548 1.191 2.646 1.00 5.75 H new ATOM 0 HZ PHE A 29 19.831 -0.459 4.469 1.00 6.37 H new ATOM 446 N ARG A 30 17.728 7.234 6.734 1.00 0.01 N ATOM 447 CA ARG A 30 18.339 8.549 6.388 1.00 0.00 C ATOM 448 C ARG A 30 19.828 8.594 6.748 1.00 0.01 C ATOM 449 O ARG A 30 20.586 9.330 6.149 1.00 0.02 O ATOM 450 CB ARG A 30 17.615 9.663 7.150 1.00 0.32 C ATOM 451 CG ARG A 30 16.151 9.714 6.710 1.00 0.86 C ATOM 452 CD ARG A 30 15.509 11.005 7.220 1.00 1.62 C ATOM 453 NE ARG A 30 16.122 12.171 6.524 1.00 2.25 N ATOM 454 CZ ARG A 30 15.545 13.340 6.574 1.00 2.70 C ATOM 455 NH1 ARG A 30 14.430 13.490 7.237 1.00 3.11 N ATOM 456 NH2 ARG A 30 16.083 14.359 5.962 1.00 3.02 N ATOM 0 H ARG A 30 16.959 7.282 7.402 1.00 0.01 H new ATOM 0 HA ARG A 30 18.240 8.689 5.312 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.677 9.484 8.223 1.00 0.32 H new ATOM 0 HB3 ARG A 30 18.097 10.622 6.959 1.00 0.32 H new ATOM 0 HG2 ARG A 30 16.085 9.668 5.623 1.00 0.86 H new ATOM 0 HG3 ARG A 30 15.613 8.850 7.099 1.00 0.86 H new ATOM 0 HD2 ARG A 30 14.434 10.985 7.041 1.00 1.62 H new ATOM 0 HD3 ARG A 30 15.651 11.094 8.297 1.00 1.62 H new ATOM 0 HE ARG A 30 16.994 12.055 6.008 1.00 2.25 H new ATOM 0 HH11 ARG A 30 14.010 12.693 7.716 1.00 3.11 H new ATOM 0 HH12 ARG A 30 13.979 14.404 7.276 1.00 3.11 H new ATOM 0 HH21 ARG A 30 16.954 14.241 5.445 1.00 3.02 H new ATOM 0 HH22 ARG A 30 15.632 15.273 6.001 1.00 3.02 H new ATOM 470 N SER A 31 20.262 7.846 7.726 1.00 0.02 N ATOM 471 CA SER A 31 21.702 7.894 8.114 1.00 0.02 C ATOM 472 C SER A 31 22.560 7.116 7.115 1.00 0.01 C ATOM 473 O SER A 31 23.769 7.239 7.096 1.00 0.02 O ATOM 474 CB SER A 31 21.865 7.278 9.502 1.00 0.37 C ATOM 475 OG SER A 31 21.431 5.924 9.468 1.00 0.88 O ATOM 0 H SER A 31 19.685 7.206 8.272 1.00 0.02 H new ATOM 0 HA SER A 31 22.029 8.934 8.119 1.00 0.02 H new ATOM 0 HB2 SER A 31 22.908 7.330 9.816 1.00 0.37 H new ATOM 0 HB3 SER A 31 21.284 7.840 10.233 1.00 0.37 H new ATOM 0 HG SER A 31 21.536 5.525 10.357 1.00 0.88 H new ATOM 481 N TYR A 32 21.946 6.289 6.310 1.00 0.01 N ATOM 482 CA TYR A 32 22.719 5.461 5.330 1.00 0.01 C ATOM 483 C TYR A 32 22.529 5.997 3.913 1.00 0.02 C ATOM 484 O TYR A 32 23.320 5.730 3.030 1.00 0.02 O ATOM 485 CB TYR A 32 22.193 4.028 5.390 1.00 0.02 C ATOM 486 CG TYR A 32 22.582 3.396 6.712 1.00 0.02 C ATOM 487 CD1 TYR A 32 23.932 3.174 7.010 1.00 0.01 C ATOM 488 CD2 TYR A 32 21.593 3.033 7.637 1.00 0.01 C ATOM 489 CE1 TYR A 32 24.293 2.589 8.232 1.00 0.00 C ATOM 490 CE2 TYR A 32 21.954 2.449 8.857 1.00 0.02 C ATOM 491 CZ TYR A 32 23.304 2.228 9.154 1.00 0.02 C ATOM 492 OH TYR A 32 23.660 1.653 10.356 1.00 0.02 O ATOM 0 H TYR A 32 20.936 6.149 6.287 1.00 0.01 H new ATOM 0 HA TYR A 32 23.779 5.498 5.582 1.00 0.01 H new ATOM 0 HB2 TYR A 32 21.109 4.023 5.279 1.00 0.02 H new ATOM 0 HB3 TYR A 32 22.601 3.446 4.564 1.00 0.02 H new ATOM 0 HD1 TYR A 32 24.695 3.453 6.299 1.00 0.01 H new ATOM 0 HD2 TYR A 32 20.551 3.204 7.408 1.00 0.01 H new ATOM 0 HE1 TYR A 32 25.334 2.417 8.462 1.00 0.00 H new ATOM 0 HE2 TYR A 32 21.191 2.169 9.569 1.00 0.02 H new ATOM 0 HH TYR A 32 22.854 1.465 10.880 1.00 0.02 H new ATOM 502 N LEU A 33 21.474 6.723 3.673 1.00 0.02 N ATOM 503 CA LEU A 33 21.218 7.241 2.295 1.00 0.02 C ATOM 504 C LEU A 33 20.479 8.582 2.383 1.00 0.02 C ATOM 505 O LEU A 33 19.469 8.709 3.047 1.00 0.02 O ATOM 506 CB LEU A 33 20.323 6.225 1.566 1.00 1.66 C ATOM 507 CG LEU A 33 20.487 6.361 0.039 1.00 2.38 C ATOM 508 CD1 LEU A 33 21.712 5.570 -0.441 1.00 3.32 C ATOM 509 CD2 LEU A 33 19.239 5.815 -0.660 1.00 2.80 C ATOM 0 H LEU A 33 20.776 6.982 4.370 1.00 0.02 H new ATOM 0 HA LEU A 33 22.159 7.381 1.762 1.00 0.02 H new ATOM 0 HB2 LEU A 33 20.583 5.213 1.877 1.00 1.66 H new ATOM 0 HB3 LEU A 33 19.281 6.386 1.842 1.00 1.66 H new ATOM 0 HG LEU A 33 20.623 7.415 -0.204 1.00 2.38 H new ATOM 0 HD11 LEU A 33 21.814 5.676 -1.521 1.00 3.32 H new ATOM 0 HD12 LEU A 33 22.608 5.954 0.047 1.00 3.32 H new ATOM 0 HD13 LEU A 33 21.586 4.517 -0.191 1.00 3.32 H new ATOM 0 HD21 LEU A 33 19.355 5.911 -1.740 1.00 2.80 H new ATOM 0 HD22 LEU A 33 19.107 4.764 -0.401 1.00 2.80 H new ATOM 0 HD23 LEU A 33 18.365 6.380 -0.337 1.00 2.80 H new ATOM 521 N SER A 34 21.000 9.587 1.727 1.00 0.02 N ATOM 522 CA SER A 34 20.365 10.935 1.775 1.00 0.02 C ATOM 523 C SER A 34 19.285 11.073 0.698 1.00 0.00 C ATOM 524 O SER A 34 18.508 12.007 0.710 1.00 0.01 O ATOM 525 CB SER A 34 21.437 12.002 1.550 1.00 0.02 C ATOM 526 OG SER A 34 20.819 13.280 1.474 1.00 0.02 O ATOM 0 H SER A 34 21.844 9.529 1.157 1.00 0.02 H new ATOM 0 HA SER A 34 19.898 11.064 2.752 1.00 0.02 H new ATOM 0 HB2 SER A 34 22.161 11.983 2.364 1.00 0.02 H new ATOM 0 HB3 SER A 34 21.985 11.795 0.631 1.00 0.02 H new ATOM 0 HG SER A 34 19.860 13.170 1.306 1.00 0.02 H new ATOM 532 N ARG A 35 19.224 10.160 -0.236 1.00 0.02 N ATOM 533 CA ARG A 35 18.196 10.243 -1.313 1.00 0.01 C ATOM 534 C ARG A 35 18.258 8.955 -2.142 1.00 0.02 C ATOM 535 O ARG A 35 19.237 8.237 -2.110 1.00 0.02 O ATOM 536 CB ARG A 35 18.487 11.444 -2.214 1.00 0.02 C ATOM 537 CG ARG A 35 19.960 11.426 -2.630 1.00 0.02 C ATOM 538 CD ARG A 35 20.246 12.611 -3.554 1.00 0.02 C ATOM 539 NE ARG A 35 19.435 12.479 -4.797 1.00 0.02 N ATOM 540 CZ ARG A 35 19.285 13.502 -5.593 1.00 0.02 C ATOM 541 NH1 ARG A 35 19.851 14.642 -5.304 1.00 0.00 N ATOM 542 NH2 ARG A 35 18.573 13.385 -6.680 1.00 0.02 N ATOM 0 H ARG A 35 19.847 9.355 -0.298 1.00 0.02 H new ATOM 0 HA ARG A 35 17.205 10.362 -0.874 1.00 0.01 H new ATOM 0 HB2 ARG A 35 17.849 11.413 -3.097 1.00 0.02 H new ATOM 0 HB3 ARG A 35 18.258 12.371 -1.688 1.00 0.02 H new ATOM 0 HG2 ARG A 35 20.598 11.477 -1.748 1.00 0.02 H new ATOM 0 HG3 ARG A 35 20.193 10.491 -3.138 1.00 0.02 H new ATOM 0 HD2 ARG A 35 20.006 13.546 -3.048 1.00 0.02 H new ATOM 0 HD3 ARG A 35 21.307 12.645 -3.801 1.00 0.02 H new ATOM 0 HE ARG A 35 18.996 11.587 -5.026 1.00 0.02 H new ATOM 0 HH11 ARG A 35 20.411 14.733 -4.456 1.00 0.00 H new ATOM 0 HH12 ARG A 35 19.734 15.442 -5.926 1.00 0.00 H new ATOM 0 HH21 ARG A 35 18.133 12.493 -6.908 1.00 0.02 H new ATOM 0 HH22 ARG A 35 18.456 14.185 -7.302 1.00 0.02 H new ATOM 556 N CYS A 36 17.231 8.662 -2.897 1.00 0.02 N ATOM 557 CA CYS A 36 17.233 7.427 -3.746 1.00 0.02 C ATOM 558 C CYS A 36 16.536 7.743 -5.071 1.00 0.02 C ATOM 559 O CYS A 36 15.365 8.066 -5.079 1.00 0.02 O ATOM 560 CB CYS A 36 16.470 6.310 -3.029 1.00 0.02 C ATOM 561 SG CYS A 36 16.144 4.957 -4.186 1.00 0.02 S ATOM 0 H CYS A 36 16.385 9.227 -2.964 1.00 0.02 H new ATOM 0 HA CYS A 36 18.258 7.104 -3.927 1.00 0.02 H new ATOM 0 HB2 CYS A 36 17.051 5.945 -2.182 1.00 0.02 H new ATOM 0 HB3 CYS A 36 15.531 6.695 -2.630 1.00 0.02 H new ATOM 0 HG CYS A 36 17.168 4.801 -4.971 1.00 0.02 H new ATOM 567 N ASN A 37 17.229 7.689 -6.191 1.00 0.02 N ATOM 568 CA ASN A 37 16.566 8.032 -7.495 1.00 0.01 C ATOM 569 C ASN A 37 16.337 6.776 -8.341 1.00 0.02 C ATOM 570 O ASN A 37 15.767 6.826 -9.413 1.00 0.02 O ATOM 571 CB ASN A 37 17.441 9.010 -8.281 1.00 0.02 C ATOM 572 CG ASN A 37 17.457 10.363 -7.570 1.00 0.01 C ATOM 573 OD1 ASN A 37 17.774 10.418 -6.306 1.00 0.03 O flip ATOM 574 ND2 ASN A 37 17.176 11.381 -8.171 1.00 0.02 N flip ATOM 0 H ASN A 37 18.212 7.426 -6.257 1.00 0.02 H new ATOM 0 HA ASN A 37 15.601 8.489 -7.273 1.00 0.01 H new ATOM 0 HB2 ASN A 37 18.455 8.620 -8.366 1.00 0.02 H new ATOM 0 HB3 ASN A 37 17.057 9.124 -9.295 1.00 0.02 H new ATOM 0 HD21 ASN A 37 16.928 11.338 -9.159 1.00 0.02 H new ATOM 0 HD22 ASN A 37 17.188 12.279 -7.687 1.00 0.02 H new ATOM 581 N SER A 38 16.750 5.643 -7.841 1.00 0.02 N ATOM 582 CA SER A 38 16.542 4.361 -8.569 1.00 0.02 C ATOM 583 C SER A 38 16.547 3.237 -7.538 1.00 0.01 C ATOM 584 O SER A 38 17.140 3.359 -6.483 1.00 0.02 O ATOM 585 CB SER A 38 17.650 4.137 -9.599 1.00 0.01 C ATOM 586 OG SER A 38 17.708 2.756 -9.933 1.00 0.02 O ATOM 0 H SER A 38 17.230 5.552 -6.946 1.00 0.02 H new ATOM 0 HA SER A 38 15.594 4.385 -9.106 1.00 0.02 H new ATOM 0 HB2 SER A 38 17.458 4.731 -10.492 1.00 0.01 H new ATOM 0 HB3 SER A 38 18.608 4.466 -9.197 1.00 0.01 H new ATOM 0 HG SER A 38 16.819 2.448 -10.208 1.00 0.02 H new ATOM 592 N ILE A 39 15.876 2.148 -7.814 1.00 0.02 N ATOM 593 CA ILE A 39 15.826 1.027 -6.822 1.00 0.02 C ATOM 594 C ILE A 39 15.801 -0.316 -7.555 1.00 0.02 C ATOM 595 O ILE A 39 15.233 -0.454 -8.620 1.00 0.02 O ATOM 596 CB ILE A 39 14.537 1.135 -5.984 1.00 0.00 C ATOM 597 CG1 ILE A 39 14.569 2.408 -5.123 1.00 0.01 C ATOM 598 CG2 ILE A 39 14.416 -0.095 -5.072 1.00 0.01 C ATOM 599 CD1 ILE A 39 13.224 2.592 -4.416 1.00 0.00 C ATOM 0 H ILE A 39 15.362 1.985 -8.680 1.00 0.02 H new ATOM 0 HA ILE A 39 16.705 1.090 -6.181 1.00 0.02 H new ATOM 0 HB ILE A 39 13.680 1.182 -6.656 1.00 0.00 H new ATOM 0 HG12 ILE A 39 15.370 2.340 -4.387 1.00 0.01 H new ATOM 0 HG13 ILE A 39 14.783 3.275 -5.748 1.00 0.01 H new ATOM 0 HG21 ILE A 39 13.505 -0.020 -4.479 1.00 0.01 H new ATOM 0 HG22 ILE A 39 14.379 -0.998 -5.682 1.00 0.01 H new ATOM 0 HG23 ILE A 39 15.279 -0.141 -4.407 1.00 0.01 H new ATOM 0 HD11 ILE A 39 13.253 3.496 -3.808 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.431 2.680 -5.159 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.028 1.731 -3.777 1.00 0.00 H new ATOM 611 N ARG A 40 16.377 -1.321 -6.941 1.00 0.02 N ATOM 612 CA ARG A 40 16.363 -2.697 -7.522 1.00 0.02 C ATOM 613 C ARG A 40 15.760 -3.634 -6.472 1.00 0.01 C ATOM 614 O ARG A 40 16.264 -3.734 -5.371 1.00 0.02 O ATOM 615 CB ARG A 40 17.776 -3.172 -7.863 1.00 0.01 C ATOM 616 CG ARG A 40 17.706 -4.551 -8.522 1.00 0.02 C ATOM 617 CD ARG A 40 19.103 -4.973 -8.977 1.00 0.02 C ATOM 618 NE ARG A 40 19.551 -4.089 -10.090 1.00 0.02 N ATOM 619 CZ ARG A 40 20.807 -4.070 -10.444 1.00 0.02 C ATOM 620 NH1 ARG A 40 21.671 -4.823 -9.821 1.00 0.02 N ATOM 621 NH2 ARG A 40 21.200 -3.298 -11.420 1.00 0.02 N ATOM 0 H ARG A 40 16.863 -1.243 -6.048 1.00 0.02 H new ATOM 0 HA ARG A 40 15.780 -2.695 -8.443 1.00 0.02 H new ATOM 0 HB2 ARG A 40 18.258 -2.461 -8.534 1.00 0.01 H new ATOM 0 HB3 ARG A 40 18.383 -3.220 -6.959 1.00 0.01 H new ATOM 0 HG2 ARG A 40 17.305 -5.281 -7.819 1.00 0.02 H new ATOM 0 HG3 ARG A 40 17.027 -4.524 -9.375 1.00 0.02 H new ATOM 0 HD2 ARG A 40 19.803 -4.910 -8.144 1.00 0.02 H new ATOM 0 HD3 ARG A 40 19.092 -6.012 -9.306 1.00 0.02 H new ATOM 0 HE ARG A 40 18.876 -3.498 -10.575 1.00 0.02 H new ATOM 0 HH11 ARG A 40 21.365 -5.426 -9.058 1.00 0.02 H new ATOM 0 HH12 ARG A 40 22.653 -4.809 -10.097 1.00 0.02 H new ATOM 0 HH21 ARG A 40 20.525 -2.708 -11.907 1.00 0.02 H new ATOM 0 HH22 ARG A 40 22.182 -3.284 -11.696 1.00 0.02 H new ATOM 635 N VAL A 41 14.724 -4.361 -6.809 1.00 0.02 N ATOM 636 CA VAL A 41 14.141 -5.332 -5.835 1.00 0.01 C ATOM 637 C VAL A 41 14.572 -6.721 -6.290 1.00 0.02 C ATOM 638 O VAL A 41 14.194 -7.173 -7.351 1.00 0.02 O ATOM 639 CB VAL A 41 12.619 -5.211 -5.808 1.00 0.01 C ATOM 640 CG1 VAL A 41 12.070 -6.110 -4.698 1.00 0.02 C ATOM 641 CG2 VAL A 41 12.240 -3.760 -5.506 1.00 0.00 C ATOM 0 H VAL A 41 14.258 -4.324 -7.715 1.00 0.02 H new ATOM 0 HA VAL A 41 14.492 -5.134 -4.822 1.00 0.01 H new ATOM 0 HB VAL A 41 12.204 -5.511 -6.770 1.00 0.01 H new ATOM 0 HG11 VAL A 41 10.983 -6.031 -4.670 1.00 0.02 H new ATOM 0 HG12 VAL A 41 12.354 -7.144 -4.894 1.00 0.02 H new ATOM 0 HG13 VAL A 41 12.481 -5.796 -3.739 1.00 0.02 H new ATOM 0 HG21 VAL A 41 11.154 -3.664 -5.485 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.649 -3.471 -4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.647 -3.109 -6.280 1.00 0.00 H new ATOM 651 N GLU A 42 15.385 -7.388 -5.512 1.00 0.01 N ATOM 652 CA GLU A 42 15.877 -8.734 -5.923 1.00 0.01 C ATOM 653 C GLU A 42 14.853 -9.798 -5.551 1.00 0.02 C ATOM 654 O GLU A 42 14.688 -10.777 -6.254 1.00 0.01 O ATOM 655 CB GLU A 42 17.210 -9.026 -5.219 1.00 0.99 C ATOM 656 CG GLU A 42 17.956 -10.151 -5.946 1.00 1.86 C ATOM 657 CD GLU A 42 17.181 -11.462 -5.798 1.00 3.10 C ATOM 658 OE1 GLU A 42 17.041 -11.922 -4.677 1.00 3.67 O ATOM 659 OE2 GLU A 42 16.741 -11.983 -6.810 1.00 3.81 O ATOM 0 H GLU A 42 15.729 -7.058 -4.610 1.00 0.01 H new ATOM 0 HA GLU A 42 16.025 -8.749 -7.003 1.00 0.01 H new ATOM 0 HB2 GLU A 42 17.824 -8.126 -5.199 1.00 0.99 H new ATOM 0 HB3 GLU A 42 17.028 -9.311 -4.183 1.00 0.99 H new ATOM 0 HG2 GLU A 42 18.071 -9.902 -7.001 1.00 1.86 H new ATOM 0 HG3 GLU A 42 18.959 -10.261 -5.534 1.00 1.86 H new ATOM 666 N GLY A 43 14.164 -9.639 -4.457 1.00 0.01 N ATOM 667 CA GLY A 43 13.172 -10.682 -4.089 1.00 0.02 C ATOM 668 C GLY A 43 12.204 -10.152 -3.040 1.00 0.02 C ATOM 669 O GLY A 43 12.560 -9.304 -2.245 1.00 0.02 O ATOM 0 H GLY A 43 14.242 -8.850 -3.815 1.00 0.01 H new ATOM 0 HA2 GLY A 43 12.621 -10.996 -4.975 1.00 0.02 H new ATOM 0 HA3 GLY A 43 13.687 -11.563 -3.705 1.00 0.02 H new ATOM 673 N GLY A 44 10.998 -10.657 -3.022 1.00 0.00 N ATOM 674 CA GLY A 44 10.009 -10.191 -2.007 1.00 0.01 C ATOM 675 C GLY A 44 9.304 -8.921 -2.495 1.00 0.01 C ATOM 676 O GLY A 44 9.685 -8.323 -3.482 1.00 0.01 O ATOM 0 H GLY A 44 10.656 -11.371 -3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.274 -10.974 -1.819 1.00 0.01 H new ATOM 0 HA3 GLY A 44 10.514 -9.994 -1.061 1.00 0.01 H new ATOM 680 N THR A 45 8.296 -8.497 -1.776 1.00 0.01 N ATOM 681 CA THR A 45 7.557 -7.245 -2.138 1.00 0.00 C ATOM 682 C THR A 45 7.733 -6.260 -0.984 1.00 0.01 C ATOM 683 O THR A 45 7.646 -6.639 0.165 1.00 0.01 O ATOM 684 CB THR A 45 6.068 -7.576 -2.318 1.00 0.73 C ATOM 685 OG1 THR A 45 5.902 -8.363 -3.489 1.00 0.88 O ATOM 686 CG2 THR A 45 5.247 -6.288 -2.448 1.00 1.48 C ATOM 0 H THR A 45 7.948 -8.970 -0.942 1.00 0.01 H new ATOM 0 HA THR A 45 7.937 -6.817 -3.065 1.00 0.00 H new ATOM 0 HB THR A 45 5.719 -8.129 -1.446 1.00 0.73 H new ATOM 0 HG1 THR A 45 4.953 -8.578 -3.607 1.00 0.88 H new ATOM 0 HG21 THR A 45 4.194 -6.539 -2.575 1.00 1.48 H new ATOM 0 HG22 THR A 45 5.370 -5.685 -1.548 1.00 1.48 H new ATOM 0 HG23 THR A 45 5.592 -5.722 -3.314 1.00 1.48 H new ATOM 694 N TRP A 46 8.052 -5.015 -1.260 1.00 0.02 N ATOM 695 CA TRP A 46 8.310 -4.041 -0.145 1.00 0.01 C ATOM 696 C TRP A 46 7.454 -2.780 -0.271 1.00 0.01 C ATOM 697 O TRP A 46 7.075 -2.352 -1.340 1.00 0.01 O ATOM 698 CB TRP A 46 9.782 -3.630 -0.187 1.00 0.00 C ATOM 699 CG TRP A 46 10.642 -4.832 0.037 1.00 0.01 C ATOM 700 CD1 TRP A 46 10.822 -5.834 -0.854 1.00 0.01 C ATOM 701 CD2 TRP A 46 11.438 -5.176 1.208 1.00 0.01 C ATOM 702 NE1 TRP A 46 11.678 -6.772 -0.305 1.00 0.00 N ATOM 703 CE2 TRP A 46 12.085 -6.410 0.964 1.00 0.01 C ATOM 704 CE3 TRP A 46 11.660 -4.544 2.444 1.00 0.01 C ATOM 705 CZ2 TRP A 46 12.921 -6.997 1.914 1.00 0.01 C ATOM 706 CZ3 TRP A 46 12.502 -5.132 3.402 1.00 0.02 C ATOM 707 CH2 TRP A 46 13.130 -6.355 3.137 1.00 0.01 C ATOM 0 H TRP A 46 8.145 -4.633 -2.201 1.00 0.02 H new ATOM 0 HA TRP A 46 8.055 -4.532 0.794 1.00 0.01 H new ATOM 0 HB2 TRP A 46 10.017 -3.176 -1.150 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.983 -2.879 0.577 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.371 -5.892 -1.834 1.00 0.01 H new ATOM 0 HE1 TRP A 46 11.972 -7.626 -0.779 1.00 0.00 H new ATOM 0 HE3 TRP A 46 11.180 -3.600 2.658 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 13.403 -7.941 1.706 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 12.666 -4.638 4.348 1.00 0.02 H new ATOM 0 HH2 TRP A 46 13.776 -6.802 3.878 1.00 0.01 H new ATOM 718 N ALA A 47 7.214 -2.157 0.853 1.00 0.01 N ATOM 719 CA ALA A 47 6.458 -0.874 0.894 1.00 0.01 C ATOM 720 C ALA A 47 7.489 0.193 1.245 1.00 0.01 C ATOM 721 O ALA A 47 8.273 0.025 2.158 1.00 0.01 O ATOM 722 CB ALA A 47 5.367 -0.938 1.968 1.00 0.24 C ATOM 0 H ALA A 47 7.519 -2.494 1.766 1.00 0.01 H new ATOM 0 HA ALA A 47 5.963 -0.661 -0.054 1.00 0.01 H new ATOM 0 HB1 ALA A 47 4.821 0.005 1.989 1.00 0.24 H new ATOM 0 HB2 ALA A 47 4.678 -1.751 1.739 1.00 0.24 H new ATOM 0 HB3 ALA A 47 5.825 -1.114 2.942 1.00 0.24 H new ATOM 728 N VAL A 48 7.483 1.297 0.541 1.00 0.01 N ATOM 729 CA VAL A 48 8.451 2.400 0.839 1.00 0.02 C ATOM 730 C VAL A 48 7.678 3.649 1.257 1.00 0.01 C ATOM 731 O VAL A 48 6.618 3.931 0.730 1.00 0.01 O ATOM 732 CB VAL A 48 9.299 2.703 -0.398 1.00 0.09 C ATOM 733 CG1 VAL A 48 10.097 1.456 -0.788 1.00 0.48 C ATOM 734 CG2 VAL A 48 8.385 3.106 -1.560 1.00 0.65 C ATOM 0 H VAL A 48 6.845 1.484 -0.233 1.00 0.01 H new ATOM 0 HA VAL A 48 9.112 2.092 1.649 1.00 0.02 H new ATOM 0 HB VAL A 48 9.985 3.520 -0.175 1.00 0.09 H new ATOM 0 HG11 VAL A 48 10.701 1.672 -1.669 1.00 0.48 H new ATOM 0 HG12 VAL A 48 10.748 1.168 0.037 1.00 0.48 H new ATOM 0 HG13 VAL A 48 9.410 0.639 -1.010 1.00 0.48 H new ATOM 0 HG21 VAL A 48 8.990 3.322 -2.441 1.00 0.65 H new ATOM 0 HG22 VAL A 48 7.698 2.290 -1.783 1.00 0.65 H new ATOM 0 HG23 VAL A 48 7.816 3.994 -1.284 1.00 0.65 H new ATOM 744 N TYR A 49 8.200 4.397 2.201 1.00 0.01 N ATOM 745 CA TYR A 49 7.499 5.636 2.673 1.00 0.01 C ATOM 746 C TYR A 49 8.394 6.858 2.457 1.00 0.01 C ATOM 747 O TYR A 49 9.606 6.794 2.537 1.00 0.02 O ATOM 748 CB TYR A 49 7.170 5.493 4.158 1.00 0.01 C ATOM 749 CG TYR A 49 6.067 4.471 4.330 1.00 0.00 C ATOM 750 CD1 TYR A 49 6.327 3.116 4.089 1.00 0.01 C ATOM 751 CD2 TYR A 49 4.788 4.875 4.734 1.00 0.01 C ATOM 752 CE1 TYR A 49 5.309 2.167 4.254 1.00 0.01 C ATOM 753 CE2 TYR A 49 3.772 3.927 4.899 1.00 0.01 C ATOM 754 CZ TYR A 49 4.032 2.573 4.657 1.00 0.02 C ATOM 755 OH TYR A 49 3.030 1.638 4.820 1.00 0.01 O ATOM 0 H TYR A 49 9.086 4.202 2.667 1.00 0.01 H new ATOM 0 HA TYR A 49 6.578 5.769 2.105 1.00 0.01 H new ATOM 0 HB2 TYR A 49 8.057 5.184 4.711 1.00 0.01 H new ATOM 0 HB3 TYR A 49 6.858 6.454 4.567 1.00 0.01 H new ATOM 0 HD1 TYR A 49 7.312 2.802 3.776 1.00 0.01 H new ATOM 0 HD2 TYR A 49 4.586 5.920 4.918 1.00 0.01 H new ATOM 0 HE1 TYR A 49 5.510 1.122 4.070 1.00 0.01 H new ATOM 0 HE2 TYR A 49 2.787 4.240 5.213 1.00 0.01 H new ATOM 0 HH TYR A 49 2.207 2.087 5.104 1.00 0.01 H new ATOM 765 N GLU A 50 7.781 7.962 2.132 1.00 0.01 N ATOM 766 CA GLU A 50 8.540 9.211 1.840 1.00 0.01 C ATOM 767 C GLU A 50 9.255 9.739 3.085 1.00 0.01 C ATOM 768 O GLU A 50 10.315 10.325 2.979 1.00 0.02 O ATOM 769 CB GLU A 50 7.556 10.271 1.342 1.00 0.02 C ATOM 770 CG GLU A 50 8.327 11.521 0.911 1.00 0.01 C ATOM 771 CD GLU A 50 7.384 12.478 0.179 1.00 0.02 C ATOM 772 OE1 GLU A 50 6.775 12.054 -0.788 1.00 0.01 O ATOM 773 OE2 GLU A 50 7.286 13.620 0.600 1.00 0.02 O ATOM 0 H GLU A 50 6.768 8.053 2.055 1.00 0.01 H new ATOM 0 HA GLU A 50 9.295 8.990 1.086 1.00 0.01 H new ATOM 0 HB2 GLU A 50 6.978 9.881 0.505 1.00 0.02 H new ATOM 0 HB3 GLU A 50 6.846 10.522 2.130 1.00 0.02 H new ATOM 0 HG2 GLU A 50 8.757 12.014 1.783 1.00 0.01 H new ATOM 0 HG3 GLU A 50 9.156 11.243 0.261 1.00 0.01 H new ATOM 780 N ARG A 51 8.687 9.572 4.261 1.00 0.02 N ATOM 781 CA ARG A 51 9.348 10.108 5.502 1.00 0.02 C ATOM 782 C ARG A 51 9.536 8.963 6.521 1.00 0.01 C ATOM 783 O ARG A 51 8.843 7.963 6.460 1.00 0.02 O ATOM 784 CB ARG A 51 8.426 11.198 6.098 1.00 0.02 C ATOM 785 CG ARG A 51 8.854 12.589 5.599 1.00 0.01 C ATOM 786 CD ARG A 51 7.902 13.675 6.151 1.00 0.02 C ATOM 787 NE ARG A 51 7.522 14.628 5.057 1.00 0.02 N ATOM 788 CZ ARG A 51 8.419 15.135 4.253 1.00 0.02 C ATOM 789 NH1 ARG A 51 9.689 14.908 4.450 1.00 0.02 N ATOM 790 NH2 ARG A 51 8.044 15.902 3.264 1.00 0.01 N ATOM 0 H ARG A 51 7.801 9.091 4.415 1.00 0.02 H new ATOM 0 HA ARG A 51 10.326 10.529 5.266 1.00 0.02 H new ATOM 0 HB2 ARG A 51 7.392 11.004 5.814 1.00 0.02 H new ATOM 0 HB3 ARG A 51 8.469 11.165 7.187 1.00 0.02 H new ATOM 0 HG2 ARG A 51 9.876 12.797 5.915 1.00 0.01 H new ATOM 0 HG3 ARG A 51 8.847 12.610 4.509 1.00 0.01 H new ATOM 0 HD2 ARG A 51 7.008 13.210 6.566 1.00 0.02 H new ATOM 0 HD3 ARG A 51 8.386 14.216 6.964 1.00 0.02 H new ATOM 0 HE ARG A 51 6.542 14.886 4.938 1.00 0.02 H new ATOM 0 HH11 ARG A 51 9.988 14.331 5.236 1.00 0.02 H new ATOM 0 HH12 ARG A 51 10.383 15.307 3.818 1.00 0.02 H new ATOM 0 HH21 ARG A 51 7.054 16.103 3.122 1.00 0.01 H new ATOM 0 HH22 ARG A 51 8.741 16.300 2.634 1.00 0.01 H new ATOM 804 N PRO A 52 10.468 9.114 7.452 1.00 0.02 N ATOM 805 CA PRO A 52 10.730 8.059 8.477 1.00 0.02 C ATOM 806 C PRO A 52 9.463 7.634 9.228 1.00 0.01 C ATOM 807 O PRO A 52 8.440 8.291 9.199 1.00 0.02 O ATOM 808 CB PRO A 52 11.750 8.741 9.419 1.00 0.02 C ATOM 809 CG PRO A 52 11.971 10.187 8.934 1.00 0.01 C ATOM 810 CD PRO A 52 11.327 10.333 7.548 1.00 0.01 C ATOM 0 HA PRO A 52 11.095 7.131 8.037 1.00 0.02 H new ATOM 0 HB2 PRO A 52 11.380 8.738 10.444 1.00 0.02 H new ATOM 0 HB3 PRO A 52 12.692 8.193 9.418 1.00 0.02 H new ATOM 0 HG2 PRO A 52 11.528 10.895 9.635 1.00 0.01 H new ATOM 0 HG3 PRO A 52 13.036 10.412 8.884 1.00 0.01 H new ATOM 0 HD2 PRO A 52 10.740 11.248 7.469 1.00 0.01 H new ATOM 0 HD3 PRO A 52 12.075 10.364 6.756 1.00 0.01 H new ATOM 818 N ASN A 53 9.570 6.538 9.930 1.00 0.02 N ATOM 819 CA ASN A 53 8.432 6.030 10.741 1.00 0.02 C ATOM 820 C ASN A 53 7.247 5.650 9.852 1.00 0.01 C ATOM 821 O ASN A 53 6.099 5.819 10.213 1.00 0.01 O ATOM 822 CB ASN A 53 8.014 7.107 11.745 1.00 0.01 C ATOM 823 CG ASN A 53 9.260 7.803 12.297 1.00 0.02 C ATOM 824 OD1 ASN A 53 9.396 9.005 12.193 1.00 0.02 O ATOM 825 ND2 ASN A 53 10.182 7.092 12.884 1.00 0.01 N ATOM 0 H ASN A 53 10.413 5.966 9.975 1.00 0.02 H new ATOM 0 HA ASN A 53 8.750 5.132 11.271 1.00 0.02 H new ATOM 0 HB2 ASN A 53 7.362 7.835 11.263 1.00 0.01 H new ATOM 0 HB3 ASN A 53 7.444 6.659 12.559 1.00 0.01 H new ATOM 0 HD21 ASN A 53 11.017 7.546 13.255 1.00 0.01 H new ATOM 0 HD22 ASN A 53 10.069 6.082 12.972 1.00 0.01 H new ATOM 832 N PHE A 54 7.531 5.114 8.695 1.00 0.02 N ATOM 833 CA PHE A 54 6.450 4.684 7.767 1.00 0.01 C ATOM 834 C PHE A 54 5.365 5.755 7.664 1.00 0.01 C ATOM 835 O PHE A 54 4.190 5.490 7.825 1.00 0.02 O ATOM 836 CB PHE A 54 5.848 3.372 8.277 1.00 1.78 C ATOM 837 CG PHE A 54 6.954 2.487 8.807 1.00 2.32 C ATOM 838 CD1 PHE A 54 8.008 2.110 7.966 1.00 2.53 C ATOM 839 CD2 PHE A 54 6.927 2.043 10.136 1.00 2.77 C ATOM 840 CE1 PHE A 54 9.034 1.291 8.451 1.00 3.03 C ATOM 841 CE2 PHE A 54 7.953 1.224 10.621 1.00 3.32 C ATOM 842 CZ PHE A 54 9.007 0.848 9.779 1.00 3.39 C ATOM 0 H PHE A 54 8.478 4.955 8.351 1.00 0.02 H new ATOM 0 HA PHE A 54 6.871 4.535 6.773 1.00 0.01 H new ATOM 0 HB2 PHE A 54 5.120 3.574 9.063 1.00 1.78 H new ATOM 0 HB3 PHE A 54 5.316 2.866 7.472 1.00 1.78 H new ATOM 0 HD1 PHE A 54 8.029 2.452 6.942 1.00 2.53 H new ATOM 0 HD2 PHE A 54 6.115 2.333 10.786 1.00 2.77 H new ATOM 0 HE1 PHE A 54 9.846 1.001 7.801 1.00 3.03 H new ATOM 0 HE2 PHE A 54 7.932 0.882 11.645 1.00 3.32 H new ATOM 0 HZ PHE A 54 9.799 0.216 10.154 1.00 3.39 H new ATOM 852 N SER A 55 5.771 6.972 7.391 1.00 0.02 N ATOM 853 CA SER A 55 4.794 8.104 7.265 1.00 0.02 C ATOM 854 C SER A 55 4.981 8.806 5.916 1.00 0.01 C ATOM 855 O SER A 55 5.984 8.631 5.249 1.00 0.01 O ATOM 856 CB SER A 55 5.040 9.106 8.393 1.00 1.90 C ATOM 857 OG SER A 55 5.062 8.417 9.637 1.00 2.33 O ATOM 0 H SER A 55 6.747 7.233 7.248 1.00 0.02 H new ATOM 0 HA SER A 55 3.778 7.713 7.329 1.00 0.02 H new ATOM 0 HB2 SER A 55 5.986 9.625 8.235 1.00 1.90 H new ATOM 0 HB3 SER A 55 4.257 9.865 8.398 1.00 1.90 H new ATOM 0 HG SER A 55 5.497 7.547 9.521 1.00 2.33 H new ATOM 863 N GLY A 56 4.015 9.588 5.498 1.00 0.02 N ATOM 864 CA GLY A 56 4.123 10.290 4.182 1.00 0.02 C ATOM 865 C GLY A 56 3.566 9.396 3.067 1.00 0.02 C ATOM 866 O GLY A 56 2.823 8.469 3.321 1.00 0.00 O ATOM 0 H GLY A 56 3.154 9.770 6.014 1.00 0.02 H new ATOM 0 HA2 GLY A 56 3.573 11.230 4.215 1.00 0.02 H new ATOM 0 HA3 GLY A 56 5.164 10.537 3.976 1.00 0.02 H new ATOM 870 N HIS A 57 3.898 9.674 1.833 1.00 0.02 N ATOM 871 CA HIS A 57 3.362 8.847 0.710 1.00 0.02 C ATOM 872 C HIS A 57 3.884 7.413 0.821 1.00 0.01 C ATOM 873 O HIS A 57 5.040 7.195 1.121 1.00 0.01 O ATOM 874 CB HIS A 57 3.808 9.449 -0.623 1.00 0.00 C ATOM 875 CG HIS A 57 3.488 10.918 -0.638 1.00 0.01 C ATOM 876 ND1 HIS A 57 4.052 11.986 0.014 1.00 0.01 N flip ATOM 877 CD2 HIS A 57 2.459 11.443 -1.406 1.00 0.01 C flip ATOM 878 CE1 HIS A 57 3.388 13.156 -0.341 1.00 0.02 C flip ATOM 879 NE2 HIS A 57 2.437 12.772 -1.198 1.00 0.01 N flip ATOM 0 H HIS A 57 4.516 10.436 1.554 1.00 0.02 H new ATOM 0 HA HIS A 57 2.273 8.836 0.762 1.00 0.02 H new ATOM 0 HB2 HIS A 57 4.878 9.297 -0.764 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.304 8.947 -1.449 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.797 10.887 -2.053 1.00 0.01 H new ATOM 0 HE1 HIS A 57 3.596 14.159 0.002 1.00 0.02 H new ATOM 0 HE2 HIS A 57 1.775 13.409 -1.641 1.00 0.01 H new ATOM 887 N MET A 58 3.035 6.438 0.575 1.00 0.02 N ATOM 888 CA MET A 58 3.462 5.001 0.656 1.00 0.02 C ATOM 889 C MET A 58 3.275 4.331 -0.712 1.00 0.01 C ATOM 890 O MET A 58 2.287 4.539 -1.386 1.00 0.01 O ATOM 891 CB MET A 58 2.594 4.282 1.697 1.00 2.61 C ATOM 892 CG MET A 58 1.114 4.347 1.289 1.00 3.46 C ATOM 893 SD MET A 58 0.735 2.972 0.172 1.00 4.50 S ATOM 894 CE MET A 58 0.174 1.797 1.431 1.00 5.01 C ATOM 0 H MET A 58 2.057 6.578 0.320 1.00 0.02 H new ATOM 0 HA MET A 58 4.512 4.945 0.944 1.00 0.02 H new ATOM 0 HB2 MET A 58 2.908 3.242 1.788 1.00 2.61 H new ATOM 0 HB3 MET A 58 2.730 4.743 2.675 1.00 2.61 H new ATOM 0 HG2 MET A 58 0.479 4.297 2.174 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.902 5.297 0.799 1.00 3.46 H new ATOM 0 HE1 MET A 58 -0.114 0.861 0.952 1.00 5.01 H new ATOM 0 HE2 MET A 58 0.981 1.609 2.139 1.00 5.01 H new ATOM 0 HE3 MET A 58 -0.683 2.213 1.960 1.00 5.01 H new ATOM 904 N TYR A 59 4.233 3.536 -1.127 1.00 0.02 N ATOM 905 CA TYR A 59 4.143 2.843 -2.457 1.00 0.01 C ATOM 906 C TYR A 59 4.551 1.371 -2.317 1.00 0.01 C ATOM 907 O TYR A 59 5.490 1.033 -1.623 1.00 0.02 O ATOM 908 CB TYR A 59 5.093 3.518 -3.446 1.00 0.01 C ATOM 909 CG TYR A 59 4.553 4.878 -3.819 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.602 4.995 -4.840 1.00 0.01 C ATOM 911 CD2 TYR A 59 5.003 6.021 -3.148 1.00 0.01 C ATOM 912 CE1 TYR A 59 3.103 6.255 -5.189 1.00 0.02 C ATOM 913 CE2 TYR A 59 4.504 7.282 -3.498 1.00 0.01 C ATOM 914 CZ TYR A 59 3.553 7.398 -4.519 1.00 0.01 C ATOM 915 OH TYR A 59 3.060 8.639 -4.866 1.00 0.01 O ATOM 0 H TYR A 59 5.082 3.335 -0.598 1.00 0.02 H new ATOM 0 HA TYR A 59 3.115 2.905 -2.814 1.00 0.01 H new ATOM 0 HB2 TYR A 59 6.084 3.618 -3.003 1.00 0.01 H new ATOM 0 HB3 TYR A 59 5.203 2.902 -4.338 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.254 4.113 -5.358 1.00 0.01 H new ATOM 0 HD2 TYR A 59 5.736 5.930 -2.360 1.00 0.01 H new ATOM 0 HE1 TYR A 59 2.370 6.345 -5.977 1.00 0.02 H new ATOM 0 HE2 TYR A 59 4.852 8.164 -2.981 1.00 0.01 H new ATOM 0 HH TYR A 59 2.264 8.837 -4.329 1.00 0.01 H new ATOM 925 N ILE A 60 3.845 0.495 -2.996 1.00 0.02 N ATOM 926 CA ILE A 60 4.166 -0.968 -2.946 1.00 0.01 C ATOM 927 C ILE A 60 5.085 -1.310 -4.128 1.00 0.01 C ATOM 928 O ILE A 60 4.816 -0.933 -5.251 1.00 0.01 O ATOM 929 CB ILE A 60 2.871 -1.779 -3.071 1.00 0.45 C ATOM 930 CG1 ILE A 60 1.792 -1.209 -2.135 1.00 1.35 C ATOM 931 CG2 ILE A 60 3.143 -3.244 -2.725 1.00 1.21 C ATOM 932 CD1 ILE A 60 2.252 -1.259 -0.672 1.00 1.72 C ATOM 0 H ILE A 60 3.051 0.736 -3.589 1.00 0.02 H new ATOM 0 HA ILE A 60 4.657 -1.207 -2.003 1.00 0.01 H new ATOM 0 HB ILE A 60 2.511 -1.714 -4.098 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.569 -0.179 -2.415 1.00 1.35 H new ATOM 0 HG13 ILE A 60 0.869 -1.777 -2.249 1.00 1.35 H new ATOM 0 HG21 ILE A 60 2.220 -3.817 -2.815 1.00 1.21 H new ATOM 0 HG22 ILE A 60 3.889 -3.647 -3.410 1.00 1.21 H new ATOM 0 HG23 ILE A 60 3.515 -3.313 -1.703 1.00 1.21 H new ATOM 0 HD11 ILE A 60 1.471 -0.850 -0.031 1.00 1.72 H new ATOM 0 HD12 ILE A 60 2.451 -2.292 -0.388 1.00 1.72 H new ATOM 0 HD13 ILE A 60 3.162 -0.670 -0.556 1.00 1.72 H new ATOM 944 N LEU A 61 6.180 -1.995 -3.878 1.00 0.01 N ATOM 945 CA LEU A 61 7.142 -2.335 -4.985 1.00 0.01 C ATOM 946 C LEU A 61 7.297 -3.877 -5.121 1.00 0.01 C ATOM 947 O LEU A 61 7.902 -4.500 -4.268 1.00 0.00 O ATOM 948 CB LEU A 61 8.521 -1.706 -4.631 1.00 0.01 C ATOM 949 CG LEU A 61 8.922 -0.627 -5.654 1.00 0.02 C ATOM 950 CD1 LEU A 61 10.075 0.207 -5.092 1.00 0.01 C ATOM 951 CD2 LEU A 61 9.381 -1.296 -6.954 1.00 0.01 C ATOM 0 H LEU A 61 6.451 -2.334 -2.955 1.00 0.01 H new ATOM 0 HA LEU A 61 6.767 -1.945 -5.931 1.00 0.01 H new ATOM 0 HB2 LEU A 61 8.478 -1.267 -3.634 1.00 0.01 H new ATOM 0 HB3 LEU A 61 9.283 -2.485 -4.604 1.00 0.01 H new ATOM 0 HG LEU A 61 8.063 0.014 -5.853 1.00 0.02 H new ATOM 0 HD11 LEU A 61 10.359 0.971 -5.816 1.00 0.01 H new ATOM 0 HD12 LEU A 61 9.760 0.686 -4.165 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.929 -0.440 -4.894 1.00 0.01 H new ATOM 0 HD21 LEU A 61 9.664 -0.531 -7.677 1.00 0.01 H new ATOM 0 HD22 LEU A 61 10.238 -1.938 -6.750 1.00 0.01 H new ATOM 0 HD23 LEU A 61 8.567 -1.896 -7.361 1.00 0.01 H new ATOM 963 N PRO A 62 6.803 -4.502 -6.185 1.00 0.02 N ATOM 964 CA PRO A 62 6.993 -5.972 -6.354 1.00 0.01 C ATOM 965 C PRO A 62 8.419 -6.273 -6.846 1.00 0.00 C ATOM 966 O PRO A 62 9.147 -5.381 -7.230 1.00 0.02 O ATOM 967 CB PRO A 62 5.941 -6.318 -7.420 1.00 1.47 C ATOM 968 CG PRO A 62 5.542 -5.010 -8.130 1.00 1.29 C ATOM 969 CD PRO A 62 6.026 -3.825 -7.268 1.00 0.82 C ATOM 0 HA PRO A 62 6.875 -6.548 -5.436 1.00 0.01 H new ATOM 0 HB2 PRO A 62 6.344 -7.034 -8.136 1.00 1.47 H new ATOM 0 HB3 PRO A 62 5.070 -6.784 -6.960 1.00 1.47 H new ATOM 0 HG2 PRO A 62 5.989 -4.965 -9.123 1.00 1.29 H new ATOM 0 HG3 PRO A 62 4.461 -4.965 -8.265 1.00 1.29 H new ATOM 0 HD2 PRO A 62 6.646 -3.135 -7.840 1.00 0.82 H new ATOM 0 HD3 PRO A 62 5.192 -3.248 -6.868 1.00 0.82 H new ATOM 977 N GLN A 63 8.830 -7.515 -6.832 1.00 0.02 N ATOM 978 CA GLN A 63 10.210 -7.854 -7.292 1.00 0.00 C ATOM 979 C GLN A 63 10.459 -7.299 -8.698 1.00 0.00 C ATOM 980 O GLN A 63 9.592 -7.339 -9.547 1.00 0.02 O ATOM 981 CB GLN A 63 10.372 -9.376 -7.319 1.00 1.27 C ATOM 982 CG GLN A 63 9.341 -9.984 -8.273 1.00 1.67 C ATOM 983 CD GLN A 63 9.304 -11.502 -8.088 1.00 2.43 C ATOM 984 OE1 GLN A 63 8.258 -12.112 -8.191 1.00 4.25 O ATOM 985 NE2 GLN A 63 10.408 -12.141 -7.817 1.00 3.04 N ATOM 0 H GLN A 63 8.270 -8.309 -6.522 1.00 0.02 H new ATOM 0 HA GLN A 63 10.929 -7.410 -6.604 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.380 -9.639 -7.640 1.00 1.27 H new ATOM 0 HB3 GLN A 63 10.240 -9.784 -6.317 1.00 1.27 H new ATOM 0 HG2 GLN A 63 8.356 -9.560 -8.079 1.00 1.67 H new ATOM 0 HG3 GLN A 63 9.596 -9.739 -9.304 1.00 1.67 H new ATOM 0 HE21 GLN A 63 11.286 -11.629 -7.731 1.00 3.04 H new ATOM 0 HE22 GLN A 63 10.394 -13.153 -7.691 1.00 3.04 H new ATOM 994 N GLY A 64 11.639 -6.790 -8.964 1.00 0.02 N ATOM 995 CA GLY A 64 11.917 -6.253 -10.329 1.00 0.01 C ATOM 996 C GLY A 64 13.029 -5.201 -10.278 1.00 0.02 C ATOM 997 O GLY A 64 13.615 -4.939 -9.247 1.00 0.02 O ATOM 0 H GLY A 64 12.412 -6.725 -8.302 1.00 0.02 H new ATOM 0 HA2 GLY A 64 12.209 -7.066 -10.993 1.00 0.01 H new ATOM 0 HA3 GLY A 64 11.011 -5.812 -10.744 1.00 0.01 H new ATOM 1001 N GLU A 65 13.329 -4.599 -11.402 1.00 0.02 N ATOM 1002 CA GLU A 65 14.406 -3.559 -11.458 1.00 0.02 C ATOM 1003 C GLU A 65 13.808 -2.224 -11.903 1.00 0.02 C ATOM 1004 O GLU A 65 13.114 -2.138 -12.897 1.00 0.02 O ATOM 1005 CB GLU A 65 15.467 -3.993 -12.473 1.00 0.77 C ATOM 1006 CG GLU A 65 16.707 -3.111 -12.322 1.00 0.49 C ATOM 1007 CD GLU A 65 17.608 -3.280 -13.546 1.00 0.67 C ATOM 1008 OE1 GLU A 65 17.095 -3.206 -14.650 1.00 0.71 O ATOM 1009 OE2 GLU A 65 18.798 -3.480 -13.359 1.00 0.96 O ATOM 0 H GLU A 65 12.869 -4.785 -12.293 1.00 0.02 H new ATOM 0 HA GLU A 65 14.855 -3.446 -10.471 1.00 0.02 H new ATOM 0 HB2 GLU A 65 15.730 -5.039 -12.315 1.00 0.77 H new ATOM 0 HB3 GLU A 65 15.071 -3.913 -13.486 1.00 0.77 H new ATOM 0 HG2 GLU A 65 16.412 -2.067 -12.216 1.00 0.49 H new ATOM 0 HG3 GLU A 65 17.251 -3.382 -11.417 1.00 0.49 H new ATOM 1016 N TYR A 66 14.098 -1.177 -11.170 1.00 0.02 N ATOM 1017 CA TYR A 66 13.591 0.183 -11.517 1.00 0.02 C ATOM 1018 C TYR A 66 14.812 1.106 -11.719 1.00 0.02 C ATOM 1019 O TYR A 66 15.391 1.567 -10.751 1.00 0.02 O ATOM 1020 CB TYR A 66 12.751 0.693 -10.345 1.00 0.01 C ATOM 1021 CG TYR A 66 11.564 -0.222 -10.168 1.00 0.02 C ATOM 1022 CD1 TYR A 66 11.717 -1.445 -9.503 1.00 0.02 C ATOM 1023 CD2 TYR A 66 10.313 0.146 -10.675 1.00 0.01 C ATOM 1024 CE1 TYR A 66 10.618 -2.300 -9.346 1.00 0.02 C ATOM 1025 CE2 TYR A 66 9.214 -0.708 -10.519 1.00 0.02 C ATOM 1026 CZ TYR A 66 9.368 -1.931 -9.855 1.00 0.02 C ATOM 1027 OH TYR A 66 8.286 -2.772 -9.700 1.00 0.01 O ATOM 0 H TYR A 66 14.676 -1.211 -10.330 1.00 0.02 H new ATOM 0 HA TYR A 66 12.985 0.162 -12.422 1.00 0.02 H new ATOM 0 HB2 TYR A 66 13.349 0.717 -9.434 1.00 0.01 H new ATOM 0 HB3 TYR A 66 12.417 1.713 -10.535 1.00 0.01 H new ATOM 0 HD1 TYR A 66 12.682 -1.729 -9.111 1.00 0.02 H new ATOM 0 HD2 TYR A 66 10.195 1.089 -11.187 1.00 0.01 H new ATOM 0 HE1 TYR A 66 10.736 -3.243 -8.833 1.00 0.02 H new ATOM 0 HE2 TYR A 66 8.249 -0.423 -10.911 1.00 0.02 H new ATOM 0 HH TYR A 66 7.494 -2.365 -10.110 1.00 0.01 H new ATOM 1037 N PRO A 67 15.237 1.355 -12.949 1.00 0.01 N ATOM 1038 CA PRO A 67 16.437 2.210 -13.180 1.00 0.02 C ATOM 1039 C PRO A 67 16.205 3.699 -12.882 1.00 0.02 C ATOM 1040 O PRO A 67 17.125 4.487 -12.948 1.00 0.02 O ATOM 1041 CB PRO A 67 16.737 1.977 -14.675 1.00 0.02 C ATOM 1042 CG PRO A 67 15.536 1.240 -15.303 1.00 0.02 C ATOM 1043 CD PRO A 67 14.576 0.814 -14.174 1.00 0.01 C ATOM 0 HA PRO A 67 17.257 1.946 -12.512 1.00 0.02 H new ATOM 0 HB2 PRO A 67 16.905 2.928 -15.181 1.00 0.02 H new ATOM 0 HB3 PRO A 67 17.647 1.388 -14.792 1.00 0.02 H new ATOM 0 HG2 PRO A 67 15.022 1.889 -16.012 1.00 0.02 H new ATOM 0 HG3 PRO A 67 15.877 0.367 -15.860 1.00 0.02 H new ATOM 0 HD2 PRO A 67 13.579 1.232 -14.313 1.00 0.01 H new ATOM 0 HD3 PRO A 67 14.464 -0.269 -14.127 1.00 0.01 H new ATOM 1051 N GLU A 68 15.011 4.098 -12.539 1.00 0.01 N ATOM 1052 CA GLU A 68 14.780 5.540 -12.230 1.00 0.01 C ATOM 1053 C GLU A 68 13.536 5.648 -11.350 1.00 0.03 C ATOM 1054 O GLU A 68 12.686 4.780 -11.333 1.00 0.02 O ATOM 1055 CB GLU A 68 14.550 6.331 -13.525 1.00 0.69 C ATOM 1056 CG GLU A 68 15.852 6.417 -14.325 1.00 1.09 C ATOM 1057 CD GLU A 68 15.715 7.491 -15.405 1.00 1.35 C ATOM 1058 OE1 GLU A 68 15.225 8.561 -15.090 1.00 1.55 O ATOM 1059 OE2 GLU A 68 16.103 7.223 -16.531 1.00 2.02 O ATOM 0 H GLU A 68 14.192 3.496 -12.459 1.00 0.01 H new ATOM 0 HA GLU A 68 15.652 5.949 -11.719 1.00 0.01 H new ATOM 0 HB2 GLU A 68 13.777 5.848 -14.123 1.00 0.69 H new ATOM 0 HB3 GLU A 68 14.191 7.333 -13.290 1.00 0.69 H new ATOM 0 HG2 GLU A 68 16.684 6.656 -13.662 1.00 1.09 H new ATOM 0 HG3 GLU A 68 16.075 5.453 -14.782 1.00 1.09 H new ATOM 1066 N TYR A 69 13.455 6.698 -10.584 1.00 0.02 N ATOM 1067 CA TYR A 69 12.308 6.855 -9.649 1.00 0.02 C ATOM 1068 C TYR A 69 10.970 6.882 -10.391 1.00 0.01 C ATOM 1069 O TYR A 69 9.989 6.328 -9.935 1.00 0.01 O ATOM 1070 CB TYR A 69 12.496 8.126 -8.818 1.00 0.02 C ATOM 1071 CG TYR A 69 12.508 9.334 -9.724 1.00 0.02 C ATOM 1072 CD1 TYR A 69 13.680 9.688 -10.403 1.00 0.02 C ATOM 1073 CD2 TYR A 69 11.347 10.102 -9.884 1.00 0.02 C ATOM 1074 CE1 TYR A 69 13.693 10.809 -11.240 1.00 0.02 C ATOM 1075 CE2 TYR A 69 11.361 11.224 -10.721 1.00 0.02 C ATOM 1076 CZ TYR A 69 12.533 11.577 -11.399 1.00 0.02 C ATOM 1077 OH TYR A 69 12.546 12.682 -12.226 1.00 0.01 O ATOM 0 H TYR A 69 14.136 7.457 -10.565 1.00 0.02 H new ATOM 0 HA TYR A 69 12.286 5.991 -8.985 1.00 0.02 H new ATOM 0 HB2 TYR A 69 11.692 8.216 -8.088 1.00 0.02 H new ATOM 0 HB3 TYR A 69 13.430 8.071 -8.259 1.00 0.02 H new ATOM 0 HD1 TYR A 69 14.575 9.095 -10.281 1.00 0.02 H new ATOM 0 HD2 TYR A 69 10.442 9.829 -9.362 1.00 0.02 H new ATOM 0 HE1 TYR A 69 14.597 11.082 -11.763 1.00 0.02 H new ATOM 0 HE2 TYR A 69 10.467 11.817 -10.843 1.00 0.02 H new ATOM 0 HH TYR A 69 11.660 13.102 -12.225 1.00 0.01 H new ATOM 1087 N GLN A 70 10.919 7.522 -11.529 1.00 0.01 N ATOM 1088 CA GLN A 70 9.646 7.583 -12.302 1.00 0.02 C ATOM 1089 C GLN A 70 9.180 6.169 -12.670 1.00 0.01 C ATOM 1090 O GLN A 70 8.011 5.927 -12.899 1.00 0.02 O ATOM 1091 CB GLN A 70 9.876 8.381 -13.586 1.00 0.01 C ATOM 1092 CG GLN A 70 10.322 9.801 -13.234 1.00 0.01 C ATOM 1093 CD GLN A 70 10.216 10.695 -14.472 1.00 0.02 C ATOM 1094 OE1 GLN A 70 9.463 11.649 -14.484 1.00 0.01 O ATOM 1095 NE2 GLN A 70 10.943 10.425 -15.521 1.00 0.02 N ATOM 0 H GLN A 70 11.708 8.007 -11.957 1.00 0.01 H new ATOM 0 HA GLN A 70 8.882 8.064 -11.691 1.00 0.02 H new ATOM 0 HB2 GLN A 70 10.633 7.893 -14.199 1.00 0.01 H new ATOM 0 HB3 GLN A 70 8.960 8.412 -14.176 1.00 0.01 H new ATOM 0 HG2 GLN A 70 9.701 10.199 -12.431 1.00 0.01 H new ATOM 0 HG3 GLN A 70 11.349 9.790 -12.868 1.00 0.01 H new ATOM 0 HE21 GLN A 70 11.575 9.624 -15.511 1.00 0.02 H new ATOM 0 HE22 GLN A 70 10.879 11.014 -16.351 1.00 0.02 H new ATOM 1104 N ARG A 71 10.094 5.234 -12.723 1.00 0.01 N ATOM 1105 CA ARG A 71 9.713 3.835 -13.072 1.00 0.02 C ATOM 1106 C ARG A 71 8.918 3.234 -11.913 1.00 0.01 C ATOM 1107 O ARG A 71 8.216 2.254 -12.059 1.00 0.02 O ATOM 1108 CB ARG A 71 10.972 2.995 -13.330 1.00 0.34 C ATOM 1109 CG ARG A 71 10.598 1.703 -14.086 1.00 0.72 C ATOM 1110 CD ARG A 71 10.594 1.954 -15.599 1.00 1.04 C ATOM 1111 NE ARG A 71 9.761 0.915 -16.268 1.00 1.67 N ATOM 1112 CZ ARG A 71 9.374 1.084 -17.503 1.00 2.47 C ATOM 1113 NH1 ARG A 71 9.717 2.161 -18.152 1.00 2.54 N ATOM 1114 NH2 ARG A 71 8.644 0.174 -18.087 1.00 3.42 N ATOM 0 H ARG A 71 11.087 5.380 -12.540 1.00 0.01 H new ATOM 0 HA ARG A 71 9.104 3.837 -13.976 1.00 0.02 H new ATOM 0 HB2 ARG A 71 11.691 3.572 -13.912 1.00 0.34 H new ATOM 0 HB3 ARG A 71 11.454 2.746 -12.384 1.00 0.34 H new ATOM 0 HG2 ARG A 71 11.309 0.913 -13.843 1.00 0.72 H new ATOM 0 HG3 ARG A 71 9.615 1.357 -13.765 1.00 0.72 H new ATOM 0 HD2 ARG A 71 10.199 2.947 -15.814 1.00 1.04 H new ATOM 0 HD3 ARG A 71 11.612 1.925 -15.987 1.00 1.04 H new ATOM 0 HE ARG A 71 9.493 0.072 -15.761 1.00 1.67 H new ATOM 0 HH11 ARG A 71 10.288 2.872 -17.695 1.00 2.54 H new ATOM 0 HH12 ARG A 71 9.415 2.293 -19.117 1.00 2.54 H new ATOM 0 HH21 ARG A 71 8.376 -0.669 -17.578 1.00 3.42 H new ATOM 0 HH22 ARG A 71 8.341 0.305 -19.052 1.00 3.42 H new ATOM 1128 N TRP A 72 9.039 3.832 -10.757 1.00 0.02 N ATOM 1129 CA TRP A 72 8.317 3.343 -9.545 1.00 0.01 C ATOM 1130 C TRP A 72 7.203 4.354 -9.233 1.00 0.01 C ATOM 1131 O TRP A 72 6.567 4.314 -8.200 1.00 0.02 O ATOM 1132 CB TRP A 72 9.362 3.228 -8.403 1.00 0.02 C ATOM 1133 CG TRP A 72 8.793 3.580 -7.062 1.00 0.01 C ATOM 1134 CD1 TRP A 72 7.813 2.903 -6.421 1.00 0.01 C ATOM 1135 CD2 TRP A 72 9.182 4.671 -6.180 1.00 0.02 C ATOM 1136 NE1 TRP A 72 7.566 3.522 -5.209 1.00 0.02 N ATOM 1137 CE2 TRP A 72 8.385 4.617 -5.014 1.00 0.02 C ATOM 1138 CE3 TRP A 72 10.137 5.700 -6.282 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 8.529 5.547 -3.985 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 10.286 6.636 -5.247 1.00 0.02 C ATOM 1141 CH2 TRP A 72 9.484 6.561 -4.102 1.00 0.02 C ATOM 0 H TRP A 72 9.620 4.655 -10.599 1.00 0.02 H new ATOM 0 HA TRP A 72 7.854 2.366 -9.681 1.00 0.01 H new ATOM 0 HB2 TRP A 72 9.751 2.210 -8.373 1.00 0.02 H new ATOM 0 HB3 TRP A 72 10.205 3.885 -8.619 1.00 0.02 H new ATOM 0 HD1 TRP A 72 7.307 2.025 -6.794 1.00 0.01 H new ATOM 0 HE1 TRP A 72 6.863 3.208 -4.540 1.00 0.02 H new ATOM 0 HE3 TRP A 72 10.759 5.770 -7.162 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 7.907 5.484 -3.104 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 11.024 7.419 -5.334 1.00 0.02 H new ATOM 0 HH2 TRP A 72 9.603 7.286 -3.310 1.00 0.02 H new ATOM 1152 N MET A 73 6.970 5.257 -10.145 1.00 0.02 N ATOM 1153 CA MET A 73 5.906 6.287 -9.951 1.00 0.02 C ATOM 1154 C MET A 73 6.209 7.156 -8.722 1.00 0.01 C ATOM 1155 O MET A 73 5.329 7.762 -8.142 1.00 0.02 O ATOM 1156 CB MET A 73 4.550 5.596 -9.766 1.00 0.02 C ATOM 1157 CG MET A 73 4.417 4.447 -10.767 1.00 0.01 C ATOM 1158 SD MET A 73 2.682 3.946 -10.881 1.00 0.01 S ATOM 1159 CE MET A 73 2.876 2.751 -12.227 1.00 0.01 C ATOM 0 H MET A 73 7.477 5.327 -11.027 1.00 0.02 H new ATOM 0 HA MET A 73 5.878 6.927 -10.833 1.00 0.02 H new ATOM 0 HB2 MET A 73 4.460 5.217 -8.748 1.00 0.02 H new ATOM 0 HB3 MET A 73 3.742 6.313 -9.911 1.00 0.02 H new ATOM 0 HG2 MET A 73 4.782 4.759 -11.746 1.00 0.01 H new ATOM 0 HG3 MET A 73 5.031 3.603 -10.452 1.00 0.01 H new ATOM 0 HE1 MET A 73 1.908 2.311 -12.465 1.00 0.01 H new ATOM 0 HE2 MET A 73 3.271 3.256 -13.108 1.00 0.01 H new ATOM 0 HE3 MET A 73 3.566 1.965 -11.919 1.00 0.01 H new ATOM 1169 N GLY A 74 7.452 7.216 -8.326 1.00 0.02 N ATOM 1170 CA GLY A 74 7.821 8.039 -7.140 1.00 0.02 C ATOM 1171 C GLY A 74 7.452 9.498 -7.393 1.00 0.01 C ATOM 1172 O GLY A 74 7.591 10.001 -8.490 1.00 0.01 O ATOM 0 H GLY A 74 8.229 6.729 -8.774 1.00 0.02 H new ATOM 0 HA2 GLY A 74 7.303 7.671 -6.254 1.00 0.02 H new ATOM 0 HA3 GLY A 74 8.890 7.953 -6.943 1.00 0.02 H new ATOM 1176 N LEU A 75 7.027 10.200 -6.376 1.00 0.02 N ATOM 1177 CA LEU A 75 6.705 11.643 -6.563 1.00 0.02 C ATOM 1178 C LEU A 75 8.027 12.423 -6.545 1.00 0.01 C ATOM 1179 O LEU A 75 8.176 13.431 -7.207 1.00 0.02 O ATOM 1180 CB LEU A 75 5.790 12.124 -5.434 1.00 0.55 C ATOM 1181 CG LEU A 75 4.660 11.114 -5.223 1.00 0.58 C ATOM 1182 CD1 LEU A 75 3.743 11.606 -4.101 1.00 0.98 C ATOM 1183 CD2 LEU A 75 3.851 10.966 -6.518 1.00 0.42 C ATOM 0 H LEU A 75 6.890 9.840 -5.432 1.00 0.02 H new ATOM 0 HA LEU A 75 6.187 11.801 -7.509 1.00 0.02 H new ATOM 0 HB2 LEU A 75 6.362 12.242 -4.514 1.00 0.55 H new ATOM 0 HB3 LEU A 75 5.376 13.102 -5.680 1.00 0.55 H new ATOM 0 HG LEU A 75 5.084 10.147 -4.951 1.00 0.58 H new ATOM 0 HD11 LEU A 75 2.937 10.888 -3.949 1.00 0.98 H new ATOM 0 HD12 LEU A 75 4.317 11.708 -3.180 1.00 0.98 H new ATOM 0 HD13 LEU A 75 3.321 12.573 -4.374 1.00 0.98 H new ATOM 0 HD21 LEU A 75 3.047 10.246 -6.365 1.00 0.42 H new ATOM 0 HD22 LEU A 75 3.426 11.931 -6.794 1.00 0.42 H new ATOM 0 HD23 LEU A 75 4.504 10.615 -7.317 1.00 0.42 H new ATOM 1195 N ASN A 76 8.998 11.936 -5.811 1.00 0.01 N ATOM 1196 CA ASN A 76 10.333 12.585 -5.743 1.00 0.02 C ATOM 1197 C ASN A 76 11.319 11.499 -5.305 1.00 0.02 C ATOM 1198 O ASN A 76 10.965 10.338 -5.249 1.00 0.02 O ATOM 1199 CB ASN A 76 10.312 13.730 -4.727 1.00 0.02 C ATOM 1200 CG ASN A 76 9.433 14.867 -5.253 1.00 0.02 C ATOM 1201 OD1 ASN A 76 8.155 14.863 -4.988 1.00 0.01 O flip ATOM 1202 ND2 ASN A 76 9.914 15.766 -5.914 1.00 0.02 N flip ATOM 0 H ASN A 76 8.912 11.093 -5.243 1.00 0.01 H new ATOM 0 HA ASN A 76 10.618 13.009 -6.706 1.00 0.02 H new ATOM 0 HB2 ASN A 76 9.930 13.374 -3.770 1.00 0.02 H new ATOM 0 HB3 ASN A 76 11.325 14.092 -4.551 1.00 0.02 H new ATOM 0 HD21 ASN A 76 10.913 15.769 -6.121 1.00 0.02 H new ATOM 0 HD22 ASN A 76 9.319 16.518 -6.262 1.00 0.02 H new ATOM 1209 N ASP A 77 12.548 11.837 -5.002 1.00 0.01 N ATOM 1210 CA ASP A 77 13.532 10.783 -4.588 1.00 0.01 C ATOM 1211 C ASP A 77 13.663 10.733 -3.062 1.00 0.01 C ATOM 1212 O ASP A 77 14.705 10.378 -2.544 1.00 0.01 O ATOM 1213 CB ASP A 77 14.901 11.111 -5.187 1.00 0.01 C ATOM 1214 CG ASP A 77 15.260 12.565 -4.874 1.00 0.01 C ATOM 1215 OD1 ASP A 77 14.898 13.027 -3.805 1.00 0.02 O ATOM 1216 OD2 ASP A 77 15.890 13.191 -5.710 1.00 0.01 O ATOM 0 H ASP A 77 12.913 12.789 -5.022 1.00 0.01 H new ATOM 0 HA ASP A 77 13.178 9.817 -4.947 1.00 0.01 H new ATOM 0 HB2 ASP A 77 15.658 10.442 -4.778 1.00 0.01 H new ATOM 0 HB3 ASP A 77 14.885 10.953 -6.265 1.00 0.01 H new ATOM 1221 N ARG A 78 12.636 11.094 -2.331 1.00 0.01 N ATOM 1222 CA ARG A 78 12.737 11.077 -0.833 1.00 0.01 C ATOM 1223 C ARG A 78 12.161 9.778 -0.258 1.00 0.02 C ATOM 1224 O ARG A 78 11.006 9.456 -0.456 1.00 0.02 O ATOM 1225 CB ARG A 78 11.978 12.278 -0.262 1.00 0.43 C ATOM 1226 CG ARG A 78 12.745 13.565 -0.578 1.00 0.80 C ATOM 1227 CD ARG A 78 11.948 14.772 -0.077 1.00 1.00 C ATOM 1228 NE ARG A 78 10.571 14.724 -0.643 1.00 1.30 N ATOM 1229 CZ ARG A 78 9.629 15.469 -0.132 1.00 2.30 C ATOM 1230 NH1 ARG A 78 9.892 16.249 0.881 1.00 2.72 N ATOM 1231 NH2 ARG A 78 8.425 15.431 -0.632 1.00 3.20 N ATOM 0 H ARG A 78 11.736 11.398 -2.702 1.00 0.01 H new ATOM 0 HA ARG A 78 13.789 11.135 -0.553 1.00 0.01 H new ATOM 0 HB2 ARG A 78 10.976 12.325 -0.689 1.00 0.43 H new ATOM 0 HB3 ARG A 78 11.860 12.168 0.816 1.00 0.43 H new ATOM 0 HG2 ARG A 78 13.726 13.542 -0.104 1.00 0.80 H new ATOM 0 HG3 ARG A 78 12.912 13.647 -1.652 1.00 0.80 H new ATOM 0 HD2 ARG A 78 11.906 14.767 1.012 1.00 1.00 H new ATOM 0 HD3 ARG A 78 12.443 15.697 -0.373 1.00 1.00 H new ATOM 0 HE ARG A 78 10.364 14.109 -1.430 1.00 1.30 H new ATOM 0 HH11 ARG A 78 10.833 16.276 1.273 1.00 2.72 H new ATOM 0 HH12 ARG A 78 9.156 16.831 1.281 1.00 2.72 H new ATOM 0 HH21 ARG A 78 8.220 14.819 -1.422 1.00 3.20 H new ATOM 0 HH22 ARG A 78 7.688 16.013 -0.233 1.00 3.20 H new ATOM 1245 N LEU A 79 12.955 9.045 0.482 1.00 0.01 N ATOM 1246 CA LEU A 79 12.474 7.776 1.116 1.00 0.01 C ATOM 1247 C LEU A 79 13.122 7.669 2.498 1.00 0.01 C ATOM 1248 O LEU A 79 14.331 7.665 2.616 1.00 0.02 O ATOM 1249 CB LEU A 79 12.895 6.576 0.264 1.00 1.04 C ATOM 1250 CG LEU A 79 12.095 6.552 -1.046 1.00 1.85 C ATOM 1251 CD1 LEU A 79 12.619 5.419 -1.934 1.00 2.40 C ATOM 1252 CD2 LEU A 79 10.592 6.334 -0.756 1.00 2.61 C ATOM 0 H LEU A 79 13.930 9.274 0.677 1.00 0.01 H new ATOM 0 HA LEU A 79 11.387 7.783 1.198 1.00 0.01 H new ATOM 0 HB2 LEU A 79 13.962 6.631 0.047 1.00 1.04 H new ATOM 0 HB3 LEU A 79 12.730 5.651 0.817 1.00 1.04 H new ATOM 0 HG LEU A 79 12.215 7.508 -1.556 1.00 1.85 H new ATOM 0 HD11 LEU A 79 12.055 5.397 -2.866 1.00 2.40 H new ATOM 0 HD12 LEU A 79 13.674 5.586 -2.152 1.00 2.40 H new ATOM 0 HD13 LEU A 79 12.502 4.467 -1.416 1.00 2.40 H new ATOM 0 HD21 LEU A 79 10.039 6.319 -1.695 1.00 2.61 H new ATOM 0 HD22 LEU A 79 10.455 5.384 -0.239 1.00 2.61 H new ATOM 0 HD23 LEU A 79 10.221 7.145 -0.129 1.00 2.61 H new ATOM 1264 N GLY A 80 12.336 7.628 3.550 1.00 0.02 N ATOM 1265 CA GLY A 80 12.914 7.574 4.934 1.00 0.02 C ATOM 1266 C GLY A 80 12.726 6.200 5.594 1.00 0.02 C ATOM 1267 O GLY A 80 13.399 5.884 6.555 1.00 0.01 O ATOM 0 H GLY A 80 11.317 7.630 3.510 1.00 0.02 H new ATOM 0 HA2 GLY A 80 13.977 7.811 4.890 1.00 0.02 H new ATOM 0 HA3 GLY A 80 12.443 8.338 5.552 1.00 0.02 H new ATOM 1271 N SER A 81 11.836 5.370 5.113 1.00 0.01 N ATOM 1272 CA SER A 81 11.658 4.036 5.767 1.00 0.01 C ATOM 1273 C SER A 81 11.063 3.034 4.783 1.00 0.02 C ATOM 1274 O SER A 81 10.408 3.393 3.823 1.00 0.01 O ATOM 1275 CB SER A 81 10.722 4.178 6.964 1.00 0.01 C ATOM 1276 OG SER A 81 9.441 4.593 6.513 1.00 0.01 O ATOM 0 H SER A 81 11.234 5.552 4.310 1.00 0.01 H new ATOM 0 HA SER A 81 12.633 3.675 6.095 1.00 0.01 H new ATOM 0 HB2 SER A 81 10.644 3.228 7.493 1.00 0.01 H new ATOM 0 HB3 SER A 81 11.124 4.904 7.670 1.00 0.01 H new ATOM 0 HG SER A 81 9.341 5.558 6.654 1.00 0.01 H new ATOM 1282 N CYS A 82 11.290 1.768 5.026 1.00 0.02 N ATOM 1283 CA CYS A 82 10.744 0.712 4.120 1.00 0.01 C ATOM 1284 C CYS A 82 10.364 -0.527 4.940 1.00 0.01 C ATOM 1285 O CYS A 82 10.977 -0.832 5.943 1.00 0.01 O ATOM 1286 CB CYS A 82 11.800 0.332 3.080 1.00 0.01 C ATOM 1287 SG CYS A 82 13.243 -0.374 3.915 1.00 0.02 S ATOM 0 H CYS A 82 11.832 1.419 5.816 1.00 0.02 H new ATOM 0 HA CYS A 82 9.858 1.096 3.614 1.00 0.01 H new ATOM 0 HB2 CYS A 82 11.387 -0.388 2.373 1.00 0.01 H new ATOM 0 HB3 CYS A 82 12.093 1.211 2.506 1.00 0.01 H new ATOM 0 HG CYS A 82 12.870 -0.933 5.028 1.00 0.02 H new ATOM 1293 N ARG A 83 9.358 -1.247 4.513 1.00 0.01 N ATOM 1294 CA ARG A 83 8.929 -2.477 5.255 1.00 0.01 C ATOM 1295 C ARG A 83 8.637 -3.594 4.254 1.00 0.01 C ATOM 1296 O ARG A 83 8.093 -3.367 3.192 1.00 0.01 O ATOM 1297 CB ARG A 83 7.641 -2.185 6.029 1.00 0.01 C ATOM 1298 CG ARG A 83 7.895 -1.068 7.042 1.00 0.01 C ATOM 1299 CD ARG A 83 6.722 -0.989 8.020 1.00 0.01 C ATOM 1300 NE ARG A 83 6.668 -2.238 8.832 1.00 0.01 N ATOM 1301 CZ ARG A 83 5.948 -2.278 9.919 1.00 0.01 C ATOM 1302 NH1 ARG A 83 5.272 -1.227 10.293 1.00 0.01 N ATOM 1303 NH2 ARG A 83 5.905 -3.371 10.632 1.00 0.01 N ATOM 0 H ARG A 83 8.811 -1.037 3.678 1.00 0.01 H new ATOM 0 HA ARG A 83 9.723 -2.775 5.940 1.00 0.01 H new ATOM 0 HB2 ARG A 83 6.849 -1.892 5.340 1.00 0.01 H new ATOM 0 HB3 ARG A 83 7.301 -3.085 6.542 1.00 0.01 H new ATOM 0 HG2 ARG A 83 8.822 -1.258 7.584 1.00 0.01 H new ATOM 0 HG3 ARG A 83 8.017 -0.116 6.526 1.00 0.01 H new ATOM 0 HD2 ARG A 83 6.836 -0.123 8.672 1.00 0.01 H new ATOM 0 HD3 ARG A 83 5.788 -0.856 7.474 1.00 0.01 H new ATOM 0 HE ARG A 83 7.194 -3.061 8.538 1.00 0.01 H new ATOM 0 HH11 ARG A 83 5.306 -0.374 9.735 1.00 0.01 H new ATOM 0 HH12 ARG A 83 4.709 -1.259 11.143 1.00 0.01 H new ATOM 0 HH21 ARG A 83 6.434 -4.192 10.339 1.00 0.01 H new ATOM 0 HH22 ARG A 83 5.342 -3.404 11.482 1.00 0.01 H new ATOM 1317 N ALA A 84 8.999 -4.806 4.588 1.00 0.01 N ATOM 1318 CA ALA A 84 8.748 -5.944 3.661 1.00 0.01 C ATOM 1319 C ALA A 84 7.283 -6.365 3.760 1.00 0.01 C ATOM 1320 O ALA A 84 6.744 -6.542 4.834 1.00 0.00 O ATOM 1321 CB ALA A 84 9.633 -7.130 4.051 1.00 0.43 C ATOM 0 H ALA A 84 9.458 -5.054 5.464 1.00 0.01 H new ATOM 0 HA ALA A 84 8.978 -5.634 2.642 1.00 0.01 H new ATOM 0 HB1 ALA A 84 9.447 -7.962 3.371 1.00 0.43 H new ATOM 0 HB2 ALA A 84 10.681 -6.838 3.989 1.00 0.43 H new ATOM 0 HB3 ALA A 84 9.402 -7.437 5.071 1.00 0.43 H new ATOM 1327 N VAL A 85 6.646 -6.545 2.636 1.00 0.01 N ATOM 1328 CA VAL A 85 5.223 -6.979 2.630 1.00 0.01 C ATOM 1329 C VAL A 85 5.168 -8.504 2.567 1.00 0.01 C ATOM 1330 O VAL A 85 5.722 -9.111 1.673 1.00 0.01 O ATOM 1331 CB VAL A 85 4.511 -6.396 1.407 1.00 0.98 C ATOM 1332 CG1 VAL A 85 3.005 -6.603 1.554 1.00 1.25 C ATOM 1333 CG2 VAL A 85 4.814 -4.895 1.302 1.00 1.12 C ATOM 0 H VAL A 85 7.056 -6.408 1.712 1.00 0.01 H new ATOM 0 HA VAL A 85 4.730 -6.626 3.536 1.00 0.01 H new ATOM 0 HB VAL A 85 4.863 -6.899 0.506 1.00 0.98 H new ATOM 0 HG11 VAL A 85 2.494 -6.189 0.685 1.00 1.25 H new ATOM 0 HG12 VAL A 85 2.790 -7.669 1.628 1.00 1.25 H new ATOM 0 HG13 VAL A 85 2.655 -6.099 2.455 1.00 1.25 H new ATOM 0 HG21 VAL A 85 4.306 -4.481 0.431 1.00 1.12 H new ATOM 0 HG22 VAL A 85 4.462 -4.389 2.201 1.00 1.12 H new ATOM 0 HG23 VAL A 85 5.889 -4.747 1.200 1.00 1.12 H new ATOM 1343 N HIS A 86 4.501 -9.137 3.492 1.00 0.01 N ATOM 1344 CA HIS A 86 4.413 -10.624 3.455 1.00 0.01 C ATOM 1345 C HIS A 86 3.168 -11.008 2.662 1.00 0.01 C ATOM 1346 O HIS A 86 2.093 -10.481 2.875 1.00 0.00 O ATOM 1347 CB HIS A 86 4.293 -11.168 4.881 1.00 0.21 C ATOM 1348 CG HIS A 86 5.591 -10.958 5.611 1.00 0.71 C ATOM 1349 ND1 HIS A 86 5.676 -10.179 6.754 1.00 1.26 N ATOM 1350 CD2 HIS A 86 6.863 -11.415 5.373 1.00 1.20 C ATOM 1351 CE1 HIS A 86 6.960 -10.192 7.160 1.00 1.77 C ATOM 1352 NE2 HIS A 86 7.726 -10.932 6.353 1.00 1.71 N ATOM 0 H HIS A 86 4.014 -8.691 4.270 1.00 0.01 H new ATOM 0 HA HIS A 86 5.306 -11.041 2.989 1.00 0.01 H new ATOM 0 HB2 HIS A 86 3.482 -10.663 5.407 1.00 0.21 H new ATOM 0 HB3 HIS A 86 4.045 -12.229 4.857 1.00 0.21 H new ATOM 0 HD2 HIS A 86 7.151 -12.053 4.550 1.00 1.20 H new ATOM 0 HE1 HIS A 86 7.326 -9.669 8.031 1.00 1.77 H new ATOM 0 HE2 HIS A 86 8.728 -11.106 6.437 1.00 1.71 H new ATOM 1360 N LEU A 87 3.311 -11.923 1.739 1.00 0.01 N ATOM 1361 CA LEU A 87 2.149 -12.358 0.910 1.00 0.01 C ATOM 1362 C LEU A 87 1.597 -13.662 1.483 1.00 0.01 C ATOM 1363 O LEU A 87 2.343 -14.542 1.865 1.00 0.01 O ATOM 1364 CB LEU A 87 2.619 -12.597 -0.538 1.00 0.67 C ATOM 1365 CG LEU A 87 3.708 -11.587 -0.915 1.00 1.25 C ATOM 1366 CD1 LEU A 87 4.108 -11.803 -2.377 1.00 1.63 C ATOM 1367 CD2 LEU A 87 3.172 -10.164 -0.740 1.00 1.34 C ATOM 0 H LEU A 87 4.191 -12.391 1.523 1.00 0.01 H new ATOM 0 HA LEU A 87 1.376 -11.590 0.920 1.00 0.01 H new ATOM 0 HB2 LEU A 87 3.003 -13.612 -0.640 1.00 0.67 H new ATOM 0 HB3 LEU A 87 1.775 -12.505 -1.222 1.00 0.67 H new ATOM 0 HG LEU A 87 4.575 -11.727 -0.270 1.00 1.25 H new ATOM 0 HD11 LEU A 87 4.883 -11.087 -2.652 1.00 1.63 H new ATOM 0 HD12 LEU A 87 4.489 -12.816 -2.504 1.00 1.63 H new ATOM 0 HD13 LEU A 87 3.238 -11.659 -3.017 1.00 1.63 H new ATOM 0 HD21 LEU A 87 3.948 -9.447 -1.009 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.306 -10.020 -1.385 1.00 1.34 H new ATOM 0 HD23 LEU A 87 2.880 -10.010 0.299 1.00 1.34 H new ATOM 1379 N SER A 88 0.298 -13.811 1.513 1.00 0.01 N ATOM 1380 CA SER A 88 -0.323 -15.071 2.018 1.00 0.01 C ATOM 1381 C SER A 88 -0.963 -15.792 0.834 1.00 0.01 C ATOM 1382 O SER A 88 -1.826 -15.236 0.184 1.00 0.01 O ATOM 1383 CB SER A 88 -1.392 -14.732 3.059 1.00 0.81 C ATOM 1384 OG SER A 88 -0.766 -14.189 4.214 1.00 1.08 O ATOM 0 H SER A 88 -0.368 -13.103 1.204 1.00 0.01 H new ATOM 0 HA SER A 88 0.430 -15.708 2.483 1.00 0.01 H new ATOM 0 HB2 SER A 88 -2.104 -14.017 2.647 1.00 0.81 H new ATOM 0 HB3 SER A 88 -1.956 -15.627 3.323 1.00 0.81 H new ATOM 0 HG SER A 88 -1.448 -13.969 4.883 1.00 1.08 H new ATOM 1390 N SER A 89 -0.607 -17.024 0.561 1.00 0.01 N ATOM 1391 CA SER A 89 -1.270 -17.762 -0.564 1.00 0.01 C ATOM 1392 C SER A 89 -2.048 -18.924 0.042 1.00 0.01 C ATOM 1393 O SER A 89 -1.531 -19.626 0.888 1.00 0.01 O ATOM 1394 CB SER A 89 -0.239 -18.336 -1.538 1.00 0.43 C ATOM 1395 OG SER A 89 0.607 -19.243 -0.843 1.00 1.26 O ATOM 0 H SER A 89 0.109 -17.549 1.064 1.00 0.01 H new ATOM 0 HA SER A 89 -1.916 -17.073 -1.109 1.00 0.01 H new ATOM 0 HB2 SER A 89 -0.742 -18.846 -2.360 1.00 0.43 H new ATOM 0 HB3 SER A 89 0.352 -17.532 -1.976 1.00 0.43 H new ATOM 0 HG SER A 89 0.143 -19.580 -0.049 1.00 1.26 H new ATOM 1401 N GLY A 90 -3.287 -19.134 -0.315 1.00 0.01 N ATOM 1402 CA GLY A 90 -4.025 -20.259 0.353 1.00 0.00 C ATOM 1403 C GLY A 90 -5.225 -20.773 -0.466 1.00 0.00 C ATOM 1404 O GLY A 90 -5.365 -21.965 -0.656 1.00 0.01 O ATOM 0 H GLY A 90 -3.809 -18.602 -1.012 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -3.334 -21.084 0.529 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.377 -19.924 1.329 1.00 0.00 H new ATOM 1408 N GLY A 91 -6.097 -19.920 -0.960 1.00 0.00 N ATOM 1409 CA GLY A 91 -7.243 -20.446 -1.745 1.00 0.00 C ATOM 1410 C GLY A 91 -7.932 -19.323 -2.528 1.00 0.00 C ATOM 1411 O GLY A 91 -7.428 -18.883 -3.542 1.00 0.01 O ATOM 0 H GLY A 91 -6.060 -18.906 -0.852 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.894 -21.214 -2.435 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.960 -20.921 -1.075 1.00 0.00 H new ATOM 1415 N GLN A 92 -9.075 -18.859 -2.079 1.00 1.80 N ATOM 1416 CA GLN A 92 -9.795 -17.762 -2.812 1.00 2.31 C ATOM 1417 C GLN A 92 -9.944 -16.532 -1.911 1.00 1.91 C ATOM 1418 O GLN A 92 -10.533 -16.583 -0.850 1.00 2.31 O ATOM 1419 CB GLN A 92 -11.165 -18.282 -3.251 1.00 2.11 C ATOM 1420 CG GLN A 92 -11.803 -17.286 -4.223 1.00 2.86 C ATOM 1421 CD GLN A 92 -11.057 -17.325 -5.558 1.00 3.70 C ATOM 1422 OE1 GLN A 92 -10.736 -16.205 -6.146 1.00 3.99 O flip ATOM 1423 NE2 GLN A 92 -10.763 -18.386 -6.072 1.00 4.43 N flip ATOM 0 H GLN A 92 -9.543 -19.192 -1.236 1.00 1.80 H new ATOM 0 HA GLN A 92 -9.223 -17.465 -3.691 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -11.060 -19.256 -3.729 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -11.808 -18.421 -2.382 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -12.854 -17.532 -4.374 1.00 2.86 H new ATOM 0 HG3 GLN A 92 -11.768 -16.280 -3.804 1.00 2.86 H new ATOM 0 HE21 GLN A 92 -11.014 -19.262 -5.613 1.00 4.43 H new ATOM 0 HE22 GLN A 92 -10.266 -18.401 -6.962 1.00 4.43 H new ATOM 1432 N ALA A 93 -9.372 -15.431 -2.330 1.00 0.01 N ATOM 1433 CA ALA A 93 -9.432 -14.191 -1.502 1.00 0.01 C ATOM 1434 C ALA A 93 -10.882 -13.696 -1.424 1.00 0.01 C ATOM 1435 O ALA A 93 -11.593 -13.701 -2.410 1.00 0.01 O ATOM 1436 CB ALA A 93 -8.556 -13.118 -2.151 1.00 2.99 C ATOM 0 H ALA A 93 -8.866 -15.339 -3.211 1.00 0.01 H new ATOM 0 HA ALA A 93 -9.072 -14.401 -0.495 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -8.593 -12.207 -1.553 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -7.527 -13.473 -2.207 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -8.923 -12.908 -3.156 1.00 2.99 H new ATOM 1442 N LYS A 94 -11.347 -13.317 -0.242 1.00 0.00 N ATOM 1443 CA LYS A 94 -12.794 -12.874 -0.101 1.00 0.01 C ATOM 1444 C LYS A 94 -12.951 -11.573 0.711 1.00 0.01 C ATOM 1445 O LYS A 94 -12.439 -11.427 1.837 1.00 0.01 O ATOM 1446 CB LYS A 94 -13.597 -13.984 0.589 1.00 2.49 C ATOM 1447 CG LYS A 94 -15.100 -13.733 0.408 1.00 3.43 C ATOM 1448 CD LYS A 94 -15.889 -14.951 0.904 1.00 4.11 C ATOM 1449 CE LYS A 94 -15.519 -15.263 2.360 1.00 5.23 C ATOM 1450 NZ LYS A 94 -14.275 -16.082 2.393 1.00 6.36 N ATOM 0 H LYS A 94 -10.800 -13.294 0.619 1.00 0.00 H new ATOM 0 HA LYS A 94 -13.166 -12.679 -1.107 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -13.328 -14.953 0.169 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -13.350 -14.017 1.650 1.00 2.49 H new ATOM 0 HG2 LYS A 94 -15.399 -12.843 0.962 1.00 3.43 H new ATOM 0 HG3 LYS A 94 -15.324 -13.545 -0.642 1.00 3.43 H new ATOM 0 HD2 LYS A 94 -16.959 -14.757 0.826 1.00 4.11 H new ATOM 0 HD3 LYS A 94 -15.675 -15.814 0.273 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -15.372 -14.337 2.915 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -16.333 -15.800 2.846 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -14.444 -16.947 2.945 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 -14.002 -16.338 1.423 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -13.510 -15.533 2.835 1.00 6.36 H new ATOM 1464 N ILE A 95 -13.700 -10.629 0.143 1.00 0.00 N ATOM 1465 CA ILE A 95 -13.960 -9.317 0.819 1.00 0.01 C ATOM 1466 C ILE A 95 -15.471 -9.000 0.816 1.00 0.01 C ATOM 1467 O ILE A 95 -16.162 -9.205 -0.166 1.00 0.01 O ATOM 1468 CB ILE A 95 -13.192 -8.217 0.061 1.00 0.34 C ATOM 1469 CG1 ILE A 95 -13.779 -6.827 0.374 1.00 0.30 C ATOM 1470 CG2 ILE A 95 -13.299 -8.474 -1.444 1.00 0.36 C ATOM 1471 CD1 ILE A 95 -12.797 -5.738 -0.063 1.00 1.09 C ATOM 0 H ILE A 95 -14.141 -10.726 -0.771 1.00 0.00 H new ATOM 0 HA ILE A 95 -13.624 -9.365 1.855 1.00 0.01 H new ATOM 0 HB ILE A 95 -12.149 -8.239 0.378 1.00 0.34 H new ATOM 0 HG12 ILE A 95 -14.731 -6.700 -0.142 1.00 0.30 H new ATOM 0 HG13 ILE A 95 -13.981 -6.740 1.442 1.00 0.30 H new ATOM 0 HG21 ILE A 95 -12.757 -7.698 -1.985 1.00 0.36 H new ATOM 0 HG22 ILE A 95 -12.869 -9.448 -1.678 1.00 0.36 H new ATOM 0 HG23 ILE A 95 -14.347 -8.459 -1.742 1.00 0.36 H new ATOM 0 HD11 ILE A 95 -13.218 -4.758 0.161 1.00 1.09 H new ATOM 0 HD12 ILE A 95 -11.856 -5.860 0.473 1.00 1.09 H new ATOM 0 HD13 ILE A 95 -12.617 -5.819 -1.135 1.00 1.09 H new ATOM 1483 N GLN A 96 -15.961 -8.438 1.903 1.00 0.01 N ATOM 1484 CA GLN A 96 -17.403 -8.023 1.993 1.00 0.01 C ATOM 1485 C GLN A 96 -17.436 -6.525 2.338 1.00 0.01 C ATOM 1486 O GLN A 96 -16.659 -6.080 3.157 1.00 0.00 O ATOM 1487 CB GLN A 96 -18.138 -8.875 3.051 1.00 0.53 C ATOM 1488 CG GLN A 96 -18.005 -8.273 4.455 1.00 0.82 C ATOM 1489 CD GLN A 96 -18.587 -9.251 5.479 1.00 1.25 C ATOM 1490 OE1 GLN A 96 -18.699 -8.934 6.646 1.00 1.75 O ATOM 1491 NE2 GLN A 96 -18.966 -10.438 5.088 1.00 2.05 N ATOM 0 H GLN A 96 -15.414 -8.247 2.742 1.00 0.01 H new ATOM 0 HA GLN A 96 -17.918 -8.186 1.046 1.00 0.01 H new ATOM 0 HB2 GLN A 96 -19.193 -8.953 2.787 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -17.733 -9.887 3.049 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -16.957 -8.073 4.680 1.00 0.82 H new ATOM 0 HG3 GLN A 96 -18.530 -7.319 4.506 1.00 0.82 H new ATOM 0 HE21 GLN A 96 -18.873 -10.706 4.108 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -19.355 -11.097 5.762 1.00 2.05 H new ATOM 1500 N VAL A 97 -18.308 -5.737 1.741 1.00 0.01 N ATOM 1501 CA VAL A 97 -18.342 -4.262 2.058 1.00 0.01 C ATOM 1502 C VAL A 97 -19.743 -3.830 2.528 1.00 0.01 C ATOM 1503 O VAL A 97 -20.750 -4.359 2.097 1.00 0.01 O ATOM 1504 CB VAL A 97 -17.967 -3.486 0.794 1.00 0.77 C ATOM 1505 CG1 VAL A 97 -16.594 -3.949 0.300 1.00 1.10 C ATOM 1506 CG2 VAL A 97 -19.013 -3.749 -0.292 1.00 1.03 C ATOM 0 H VAL A 97 -18.994 -6.047 1.052 1.00 0.01 H new ATOM 0 HA VAL A 97 -17.636 -4.054 2.862 1.00 0.01 H new ATOM 0 HB VAL A 97 -17.933 -2.420 1.018 1.00 0.77 H new ATOM 0 HG11 VAL A 97 -16.326 -3.397 -0.601 1.00 1.10 H new ATOM 0 HG12 VAL A 97 -15.848 -3.766 1.073 1.00 1.10 H new ATOM 0 HG13 VAL A 97 -16.629 -5.015 0.075 1.00 1.10 H new ATOM 0 HG21 VAL A 97 -18.748 -3.197 -1.194 1.00 1.03 H new ATOM 0 HG22 VAL A 97 -19.045 -4.815 -0.516 1.00 1.03 H new ATOM 0 HG23 VAL A 97 -19.992 -3.422 0.059 1.00 1.03 H new ATOM 1516 N PHE A 98 -19.798 -2.880 3.445 1.00 0.01 N ATOM 1517 CA PHE A 98 -21.109 -2.402 4.004 1.00 0.01 C ATOM 1518 C PHE A 98 -21.298 -0.895 3.735 1.00 0.01 C ATOM 1519 O PHE A 98 -20.372 -0.096 3.836 1.00 0.01 O ATOM 1520 CB PHE A 98 -21.108 -2.653 5.523 1.00 0.25 C ATOM 1521 CG PHE A 98 -21.593 -4.051 5.837 1.00 0.36 C ATOM 1522 CD1 PHE A 98 -20.778 -5.153 5.553 1.00 0.42 C ATOM 1523 CD2 PHE A 98 -22.850 -4.243 6.426 1.00 0.58 C ATOM 1524 CE1 PHE A 98 -21.220 -6.445 5.858 1.00 0.56 C ATOM 1525 CE2 PHE A 98 -23.291 -5.536 6.731 1.00 0.73 C ATOM 1526 CZ PHE A 98 -22.476 -6.637 6.446 1.00 0.69 C ATOM 0 H PHE A 98 -18.978 -2.412 3.832 1.00 0.01 H new ATOM 0 HA PHE A 98 -21.926 -2.942 3.525 1.00 0.01 H new ATOM 0 HB2 PHE A 98 -20.102 -2.515 5.918 1.00 0.25 H new ATOM 0 HB3 PHE A 98 -21.748 -1.922 6.017 1.00 0.25 H new ATOM 0 HD1 PHE A 98 -19.809 -5.006 5.099 1.00 0.42 H new ATOM 0 HD2 PHE A 98 -23.479 -3.393 6.645 1.00 0.58 H new ATOM 0 HE1 PHE A 98 -20.591 -7.296 5.639 1.00 0.56 H new ATOM 0 HE2 PHE A 98 -24.259 -5.684 7.186 1.00 0.73 H new ATOM 0 HZ PHE A 98 -22.816 -7.635 6.680 1.00 0.69 H new ATOM 1536 N GLU A 99 -22.508 -0.525 3.387 1.00 0.01 N ATOM 1537 CA GLU A 99 -22.817 0.904 3.079 1.00 0.01 C ATOM 1538 C GLU A 99 -22.758 1.791 4.333 1.00 0.01 C ATOM 1539 O GLU A 99 -22.400 2.949 4.244 1.00 0.01 O ATOM 1540 CB GLU A 99 -24.222 0.990 2.470 1.00 0.01 C ATOM 1541 CG GLU A 99 -24.417 2.338 1.765 1.00 0.01 C ATOM 1542 CD GLU A 99 -24.537 3.453 2.806 1.00 0.01 C ATOM 1543 OE1 GLU A 99 -25.484 3.419 3.574 1.00 0.02 O ATOM 1544 OE2 GLU A 99 -23.684 4.325 2.813 1.00 0.01 O ATOM 0 H GLU A 99 -23.301 -1.161 3.303 1.00 0.01 H new ATOM 0 HA GLU A 99 -22.065 1.266 2.378 1.00 0.01 H new ATOM 0 HB2 GLU A 99 -24.368 0.176 1.760 1.00 0.01 H new ATOM 0 HB3 GLU A 99 -24.972 0.869 3.252 1.00 0.01 H new ATOM 0 HG2 GLU A 99 -23.576 2.537 1.101 1.00 0.01 H new ATOM 0 HG3 GLU A 99 -25.313 2.309 1.145 1.00 0.01 H new ATOM 1551 N LYS A 100 -23.113 1.279 5.496 1.00 0.01 N ATOM 1552 CA LYS A 100 -23.082 2.127 6.740 1.00 0.01 C ATOM 1553 C LYS A 100 -22.023 1.602 7.712 1.00 0.01 C ATOM 1554 O LYS A 100 -21.522 0.504 7.574 1.00 0.01 O ATOM 1555 CB LYS A 100 -24.453 2.110 7.420 1.00 0.94 C ATOM 1556 CG LYS A 100 -25.522 2.587 6.436 1.00 1.63 C ATOM 1557 CD LYS A 100 -26.909 2.298 7.011 1.00 2.19 C ATOM 1558 CE LYS A 100 -27.977 2.820 6.050 1.00 2.84 C ATOM 1559 NZ LYS A 100 -27.763 2.228 4.698 1.00 3.18 N ATOM 0 H LYS A 100 -23.421 0.317 5.636 1.00 0.01 H new ATOM 0 HA LYS A 100 -22.832 3.150 6.458 1.00 0.01 H new ATOM 0 HB2 LYS A 100 -24.686 1.103 7.765 1.00 0.94 H new ATOM 0 HB3 LYS A 100 -24.441 2.754 8.300 1.00 0.94 H new ATOM 0 HG2 LYS A 100 -25.409 3.655 6.249 1.00 1.63 H new ATOM 0 HG3 LYS A 100 -25.401 2.082 5.478 1.00 1.63 H new ATOM 0 HD2 LYS A 100 -27.035 1.226 7.164 1.00 2.19 H new ATOM 0 HD3 LYS A 100 -27.017 2.774 7.985 1.00 2.19 H new ATOM 0 HE2 LYS A 100 -28.970 2.562 6.418 1.00 2.84 H new ATOM 0 HE3 LYS A 100 -27.930 3.908 5.994 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 -28.626 2.342 4.129 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 -26.972 2.713 4.228 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 -27.542 1.216 4.793 1.00 3.18 H new ATOM 1573 N GLY A 101 -21.682 2.394 8.691 1.00 0.01 N ATOM 1574 CA GLY A 101 -20.643 1.985 9.680 1.00 0.01 C ATOM 1575 C GLY A 101 -21.127 0.819 10.545 1.00 0.00 C ATOM 1576 O GLY A 101 -22.304 0.532 10.639 1.00 0.01 O ATOM 0 H GLY A 101 -22.083 3.318 8.850 1.00 0.01 H new ATOM 0 HA2 GLY A 101 -19.732 1.698 9.155 1.00 0.01 H new ATOM 0 HA3 GLY A 101 -20.390 2.833 10.317 1.00 0.01 H new ATOM 1580 N ASP A 102 -20.198 0.166 11.193 1.00 0.01 N ATOM 1581 CA ASP A 102 -20.530 -0.979 12.090 1.00 0.00 C ATOM 1582 C ASP A 102 -21.281 -2.073 11.331 1.00 0.00 C ATOM 1583 O ASP A 102 -22.182 -2.703 11.850 1.00 0.01 O ATOM 1584 CB ASP A 102 -21.384 -0.476 13.255 1.00 0.01 C ATOM 1585 CG ASP A 102 -20.713 0.743 13.890 1.00 0.01 C ATOM 1586 OD1 ASP A 102 -20.557 1.734 13.197 1.00 0.01 O ATOM 1587 OD2 ASP A 102 -20.367 0.664 15.058 1.00 0.01 O ATOM 0 H ASP A 102 -19.203 0.383 11.136 1.00 0.01 H new ATOM 0 HA ASP A 102 -19.601 -1.407 12.467 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -22.381 -0.213 12.902 1.00 0.01 H new ATOM 0 HB3 ASP A 102 -21.507 -1.265 13.997 1.00 0.01 H new ATOM 1592 N PHE A 103 -20.880 -2.324 10.114 1.00 0.01 N ATOM 1593 CA PHE A 103 -21.517 -3.400 9.306 1.00 0.01 C ATOM 1594 C PHE A 103 -23.035 -3.234 9.273 1.00 0.00 C ATOM 1595 O PHE A 103 -23.769 -4.141 9.610 1.00 0.01 O ATOM 1596 CB PHE A 103 -21.171 -4.759 9.919 1.00 0.01 C ATOM 1597 CG PHE A 103 -19.698 -4.799 10.254 1.00 0.00 C ATOM 1598 CD1 PHE A 103 -18.752 -4.926 9.229 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -19.278 -4.710 11.587 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -17.387 -4.964 9.537 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -17.913 -4.749 11.895 1.00 0.01 C ATOM 1602 CZ PHE A 103 -16.968 -4.876 10.871 1.00 0.01 C ATOM 0 H PHE A 103 -20.129 -1.822 9.641 1.00 0.01 H new ATOM 0 HA PHE A 103 -21.140 -3.337 8.285 1.00 0.01 H new ATOM 0 HB2 PHE A 103 -21.764 -4.926 10.818 1.00 0.01 H new ATOM 0 HB3 PHE A 103 -21.418 -5.559 9.221 1.00 0.01 H new ATOM 0 HD1 PHE A 103 -19.076 -4.995 8.201 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -20.007 -4.611 12.377 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -16.657 -5.061 8.747 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -17.589 -4.681 12.923 1.00 0.01 H new ATOM 0 HZ PHE A 103 -15.915 -4.906 11.109 1.00 0.01 H new ATOM 1612 N ASN A 104 -23.512 -2.093 8.843 1.00 0.00 N ATOM 1613 CA ASN A 104 -24.990 -1.870 8.753 1.00 0.01 C ATOM 1614 C ASN A 104 -25.305 -1.348 7.349 1.00 0.01 C ATOM 1615 O ASN A 104 -24.421 -0.938 6.620 1.00 0.01 O ATOM 1616 CB ASN A 104 -25.424 -0.840 9.806 1.00 1.68 C ATOM 1617 CG ASN A 104 -26.857 -0.378 9.527 1.00 2.31 C ATOM 1618 OD1 ASN A 104 -27.787 -1.267 9.313 1.00 3.15 O flip ATOM 1619 ND2 ASN A 104 -27.132 0.806 9.505 1.00 2.38 N flip ATOM 0 H ASN A 104 -22.939 -1.302 8.549 1.00 0.00 H new ATOM 0 HA ASN A 104 -25.527 -2.800 8.938 1.00 0.01 H new ATOM 0 HB2 ASN A 104 -25.362 -1.278 10.802 1.00 1.68 H new ATOM 0 HB3 ASN A 104 -24.748 0.015 9.791 1.00 1.68 H new ATOM 0 HD21 ASN A 104 -26.405 1.502 9.672 1.00 2.38 H new ATOM 0 HD22 ASN A 104 -28.090 1.104 9.319 1.00 2.38 H new ATOM 1626 N GLY A 105 -26.548 -1.370 6.950 1.00 0.01 N ATOM 1627 CA GLY A 105 -26.900 -0.881 5.583 1.00 0.01 C ATOM 1628 C GLY A 105 -26.859 -2.056 4.606 1.00 0.01 C ATOM 1629 O GLY A 105 -26.876 -3.203 5.008 1.00 0.01 O ATOM 0 H GLY A 105 -27.334 -1.704 7.508 1.00 0.01 H new ATOM 0 HA2 GLY A 105 -27.893 -0.431 5.589 1.00 0.01 H new ATOM 0 HA3 GLY A 105 -26.201 -0.106 5.269 1.00 0.01 H new ATOM 1633 N GLN A 106 -26.795 -1.794 3.330 1.00 0.01 N ATOM 1634 CA GLN A 106 -26.740 -2.912 2.348 1.00 0.01 C ATOM 1635 C GLN A 106 -25.337 -3.521 2.360 1.00 0.01 C ATOM 1636 O GLN A 106 -24.340 -2.831 2.482 1.00 0.01 O ATOM 1637 CB GLN A 106 -27.056 -2.374 0.950 1.00 0.01 C ATOM 1638 CG GLN A 106 -27.349 -3.542 0.005 1.00 0.01 C ATOM 1639 CD GLN A 106 -28.746 -4.098 0.294 1.00 0.01 C ATOM 1640 OE1 GLN A 106 -29.456 -3.579 1.256 1.00 0.01 O flip ATOM 1641 NE2 GLN A 106 -29.196 -5.015 -0.366 1.00 0.01 N flip ATOM 0 H GLN A 106 -26.778 -0.857 2.926 1.00 0.01 H new ATOM 0 HA GLN A 106 -27.471 -3.676 2.615 1.00 0.01 H new ATOM 0 HB2 GLN A 106 -27.914 -1.703 0.993 1.00 0.01 H new ATOM 0 HB3 GLN A 106 -26.215 -1.791 0.575 1.00 0.01 H new ATOM 0 HG2 GLN A 106 -27.286 -3.209 -1.031 1.00 0.01 H new ATOM 0 HG3 GLN A 106 -26.601 -4.324 0.135 1.00 0.01 H new ATOM 0 HE21 GLN A 106 -28.641 -5.422 -1.119 1.00 0.01 H new ATOM 0 HE22 GLN A 106 -30.128 -5.377 -0.167 1.00 0.01 H new ATOM 1650 N MET A 107 -25.268 -4.824 2.236 1.00 0.01 N ATOM 1651 CA MET A 107 -23.951 -5.536 2.240 1.00 0.01 C ATOM 1652 C MET A 107 -23.728 -6.207 0.884 1.00 0.01 C ATOM 1653 O MET A 107 -24.641 -6.735 0.280 1.00 0.01 O ATOM 1654 CB MET A 107 -23.968 -6.616 3.332 1.00 0.00 C ATOM 1655 CG MET A 107 -22.724 -7.513 3.221 1.00 0.01 C ATOM 1656 SD MET A 107 -23.034 -8.832 2.019 1.00 0.01 S ATOM 1657 CE MET A 107 -23.707 -10.045 3.181 1.00 0.01 C ATOM 0 H MET A 107 -26.079 -5.433 2.131 1.00 0.01 H new ATOM 0 HA MET A 107 -23.151 -4.821 2.432 1.00 0.01 H new ATOM 0 HB2 MET A 107 -23.999 -6.147 4.315 1.00 0.00 H new ATOM 0 HB3 MET A 107 -24.870 -7.221 3.239 1.00 0.00 H new ATOM 0 HG2 MET A 107 -21.862 -6.921 2.913 1.00 0.01 H new ATOM 0 HG3 MET A 107 -22.484 -7.942 4.194 1.00 0.01 H new ATOM 0 HE1 MET A 107 -23.971 -10.956 2.644 1.00 0.01 H new ATOM 0 HE2 MET A 107 -22.959 -10.275 3.940 1.00 0.01 H new ATOM 0 HE3 MET A 107 -24.596 -9.635 3.660 1.00 0.01 H new ATOM 1667 N TYR A 108 -22.505 -6.206 0.418 1.00 0.01 N ATOM 1668 CA TYR A 108 -22.170 -6.859 -0.885 1.00 0.00 C ATOM 1669 C TYR A 108 -20.931 -7.737 -0.675 1.00 0.01 C ATOM 1670 O TYR A 108 -19.984 -7.350 -0.019 1.00 0.01 O ATOM 1671 CB TYR A 108 -21.864 -5.788 -1.935 1.00 0.54 C ATOM 1672 CG TYR A 108 -23.153 -5.152 -2.400 1.00 0.60 C ATOM 1673 CD1 TYR A 108 -23.933 -5.781 -3.378 1.00 1.24 C ATOM 1674 CD2 TYR A 108 -23.569 -3.932 -1.852 1.00 0.93 C ATOM 1675 CE1 TYR A 108 -25.127 -5.191 -3.809 1.00 1.76 C ATOM 1676 CE2 TYR A 108 -24.764 -3.342 -2.284 1.00 1.51 C ATOM 1677 CZ TYR A 108 -25.542 -3.970 -3.262 1.00 1.82 C ATOM 1678 OH TYR A 108 -26.719 -3.388 -3.687 1.00 2.48 O ATOM 0 H TYR A 108 -21.712 -5.774 0.892 1.00 0.01 H new ATOM 0 HA TYR A 108 -23.010 -7.462 -1.230 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -21.204 -5.030 -1.514 1.00 0.54 H new ATOM 0 HB3 TYR A 108 -21.340 -6.233 -2.781 1.00 0.54 H new ATOM 0 HD1 TYR A 108 -23.613 -6.722 -3.800 1.00 1.24 H new ATOM 0 HD2 TYR A 108 -22.969 -3.446 -1.097 1.00 0.93 H new ATOM 0 HE1 TYR A 108 -25.728 -5.677 -4.563 1.00 1.76 H new ATOM 0 HE2 TYR A 108 -25.085 -2.401 -1.861 1.00 1.51 H new ATOM 0 HH TYR A 108 -26.860 -2.546 -3.206 1.00 2.48 H new ATOM 1688 N GLU A 109 -20.959 -8.934 -1.205 1.00 0.01 N ATOM 1689 CA GLU A 109 -19.815 -9.890 -1.031 1.00 0.01 C ATOM 1690 C GLU A 109 -19.190 -10.201 -2.388 1.00 0.01 C ATOM 1691 O GLU A 109 -19.883 -10.464 -3.350 1.00 0.01 O ATOM 1692 CB GLU A 109 -20.362 -11.175 -0.405 1.00 0.01 C ATOM 1693 CG GLU A 109 -19.201 -12.053 0.064 1.00 0.01 C ATOM 1694 CD GLU A 109 -19.748 -13.361 0.639 1.00 0.00 C ATOM 1695 OE1 GLU A 109 -20.662 -13.908 0.045 1.00 0.00 O ATOM 1696 OE2 GLU A 109 -19.247 -13.790 1.665 1.00 0.00 O ATOM 0 H GLU A 109 -21.735 -9.297 -1.759 1.00 0.01 H new ATOM 0 HA GLU A 109 -19.050 -9.452 -0.389 1.00 0.01 H new ATOM 0 HB2 GLU A 109 -21.011 -10.933 0.437 1.00 0.01 H new ATOM 0 HB3 GLU A 109 -20.969 -11.715 -1.131 1.00 0.01 H new ATOM 0 HG2 GLU A 109 -18.530 -12.262 -0.769 1.00 0.01 H new ATOM 0 HG3 GLU A 109 -18.617 -11.528 0.819 1.00 0.01 H new ATOM 1703 N THR A 110 -17.880 -10.168 -2.484 1.00 0.01 N ATOM 1704 CA THR A 110 -17.234 -10.458 -3.801 1.00 0.00 C ATOM 1705 C THR A 110 -15.860 -11.113 -3.617 1.00 0.01 C ATOM 1706 O THR A 110 -15.135 -10.865 -2.661 1.00 0.01 O ATOM 1707 CB THR A 110 -17.066 -9.157 -4.590 1.00 1.21 C ATOM 1708 OG1 THR A 110 -16.520 -9.449 -5.870 1.00 1.65 O ATOM 1709 CG2 THR A 110 -16.125 -8.217 -3.835 1.00 1.69 C ATOM 0 H THR A 110 -17.240 -9.956 -1.718 1.00 0.01 H new ATOM 0 HA THR A 110 -17.877 -11.149 -4.345 1.00 0.00 H new ATOM 0 HB THR A 110 -18.037 -8.676 -4.709 1.00 1.21 H new ATOM 0 HG1 THR A 110 -16.413 -8.617 -6.378 1.00 1.65 H new ATOM 0 HG21 THR A 110 -16.007 -7.291 -4.398 1.00 1.69 H new ATOM 0 HG22 THR A 110 -16.544 -7.994 -2.854 1.00 1.69 H new ATOM 0 HG23 THR A 110 -15.153 -8.695 -3.714 1.00 1.69 H new ATOM 1717 N THR A 111 -15.517 -11.957 -4.562 1.00 0.00 N ATOM 1718 CA THR A 111 -14.209 -12.681 -4.539 1.00 0.01 C ATOM 1719 C THR A 111 -13.340 -12.229 -5.720 1.00 0.01 C ATOM 1720 O THR A 111 -12.312 -12.815 -5.998 1.00 0.01 O ATOM 1721 CB THR A 111 -14.465 -14.186 -4.647 1.00 0.01 C ATOM 1722 OG1 THR A 111 -15.376 -14.435 -5.709 1.00 0.01 O ATOM 1723 CG2 THR A 111 -15.056 -14.700 -3.334 1.00 0.01 C ATOM 0 H THR A 111 -16.104 -12.178 -5.366 1.00 0.00 H new ATOM 0 HA THR A 111 -13.691 -12.458 -3.606 1.00 0.01 H new ATOM 0 HB THR A 111 -13.525 -14.701 -4.846 1.00 0.01 H new ATOM 0 HG1 THR A 111 -15.540 -15.399 -5.781 1.00 0.01 H new ATOM 0 HG21 THR A 111 -15.238 -15.772 -3.412 1.00 0.01 H new ATOM 0 HG22 THR A 111 -14.356 -14.509 -2.521 1.00 0.01 H new ATOM 0 HG23 THR A 111 -15.996 -14.186 -3.132 1.00 0.01 H new ATOM 1731 N GLU A 112 -13.769 -11.215 -6.442 1.00 0.01 N ATOM 1732 CA GLU A 112 -12.996 -10.742 -7.643 1.00 0.01 C ATOM 1733 C GLU A 112 -12.603 -9.268 -7.503 1.00 0.01 C ATOM 1734 O GLU A 112 -13.154 -8.539 -6.703 1.00 0.01 O ATOM 1735 CB GLU A 112 -13.865 -10.908 -8.890 1.00 0.85 C ATOM 1736 CG GLU A 112 -14.267 -12.377 -9.038 1.00 1.61 C ATOM 1737 CD GLU A 112 -14.878 -12.599 -10.423 1.00 2.51 C ATOM 1738 OE1 GLU A 112 -14.464 -11.921 -11.349 1.00 3.21 O ATOM 1739 OE2 GLU A 112 -15.751 -13.444 -10.533 1.00 3.07 O ATOM 0 H GLU A 112 -14.624 -10.693 -6.251 1.00 0.01 H new ATOM 0 HA GLU A 112 -12.086 -11.336 -7.725 1.00 0.01 H new ATOM 0 HB2 GLU A 112 -14.754 -10.282 -8.813 1.00 0.85 H new ATOM 0 HB3 GLU A 112 -13.319 -10.578 -9.774 1.00 0.85 H new ATOM 0 HG2 GLU A 112 -13.396 -13.019 -8.905 1.00 1.61 H new ATOM 0 HG3 GLU A 112 -14.985 -12.649 -8.264 1.00 1.61 H new ATOM 1746 N ASP A 113 -11.662 -8.821 -8.297 1.00 0.01 N ATOM 1747 CA ASP A 113 -11.234 -7.393 -8.244 1.00 0.01 C ATOM 1748 C ASP A 113 -12.365 -6.500 -8.778 1.00 0.00 C ATOM 1749 O ASP A 113 -13.170 -6.921 -9.586 1.00 0.01 O ATOM 1750 CB ASP A 113 -9.991 -7.219 -9.125 1.00 0.01 C ATOM 1751 CG ASP A 113 -10.122 -8.099 -10.369 1.00 0.01 C ATOM 1752 OD1 ASP A 113 -11.140 -8.003 -11.035 1.00 0.00 O ATOM 1753 OD2 ASP A 113 -9.204 -8.853 -10.637 1.00 0.00 O ATOM 0 H ASP A 113 -11.169 -9.391 -8.985 1.00 0.01 H new ATOM 0 HA ASP A 113 -11.006 -7.111 -7.216 1.00 0.01 H new ATOM 0 HB2 ASP A 113 -9.881 -6.174 -9.415 1.00 0.01 H new ATOM 0 HB3 ASP A 113 -9.095 -7.491 -8.567 1.00 0.01 H new ATOM 1758 N CYS A 114 -12.403 -5.259 -8.351 1.00 0.01 N ATOM 1759 CA CYS A 114 -13.449 -4.302 -8.844 1.00 0.01 C ATOM 1760 C CYS A 114 -12.750 -3.029 -9.373 1.00 0.01 C ATOM 1761 O CYS A 114 -12.156 -2.308 -8.592 1.00 0.01 O ATOM 1762 CB CYS A 114 -14.356 -3.911 -7.678 1.00 0.01 C ATOM 1763 SG CYS A 114 -15.617 -2.749 -8.257 1.00 0.01 S ATOM 0 H CYS A 114 -11.748 -4.864 -7.676 1.00 0.01 H new ATOM 0 HA CYS A 114 -14.036 -4.769 -9.635 1.00 0.01 H new ATOM 0 HB2 CYS A 114 -14.830 -4.799 -7.258 1.00 0.01 H new ATOM 0 HB3 CYS A 114 -13.767 -3.457 -6.881 1.00 0.01 H new ATOM 0 HG CYS A 114 -16.628 -3.410 -8.737 1.00 0.01 H new ATOM 1769 N PRO A 115 -12.815 -2.717 -10.662 1.00 0.01 N ATOM 1770 CA PRO A 115 -12.159 -1.477 -11.173 1.00 0.01 C ATOM 1771 C PRO A 115 -12.964 -0.222 -10.806 1.00 0.01 C ATOM 1772 O PRO A 115 -12.405 0.842 -10.609 1.00 0.01 O ATOM 1773 CB PRO A 115 -12.146 -1.716 -12.691 1.00 0.01 C ATOM 1774 CG PRO A 115 -13.182 -2.812 -13.004 1.00 0.01 C ATOM 1775 CD PRO A 115 -13.512 -3.548 -11.690 1.00 0.01 C ATOM 0 HA PRO A 115 -11.169 -1.302 -10.752 1.00 0.01 H new ATOM 0 HB2 PRO A 115 -12.389 -0.797 -13.224 1.00 0.01 H new ATOM 0 HB3 PRO A 115 -11.154 -2.023 -13.021 1.00 0.01 H new ATOM 0 HG2 PRO A 115 -14.084 -2.373 -13.431 1.00 0.01 H new ATOM 0 HG3 PRO A 115 -12.787 -3.510 -13.742 1.00 0.01 H new ATOM 0 HD2 PRO A 115 -14.586 -3.595 -11.512 1.00 0.01 H new ATOM 0 HD3 PRO A 115 -13.145 -4.574 -11.698 1.00 0.01 H new ATOM 1783 N SER A 116 -14.268 -0.334 -10.730 1.00 0.01 N ATOM 1784 CA SER A 116 -15.115 0.849 -10.385 1.00 0.02 C ATOM 1785 C SER A 116 -16.273 0.390 -9.493 1.00 0.01 C ATOM 1786 O SER A 116 -17.192 -0.284 -9.928 1.00 0.00 O ATOM 1787 CB SER A 116 -15.664 1.471 -11.670 1.00 0.01 C ATOM 1788 OG SER A 116 -16.774 2.302 -11.354 1.00 0.01 O ATOM 0 H SER A 116 -14.784 -1.199 -10.893 1.00 0.01 H new ATOM 0 HA SER A 116 -14.520 1.592 -9.854 1.00 0.02 H new ATOM 0 HB2 SER A 116 -14.888 2.054 -12.165 1.00 0.01 H new ATOM 0 HB3 SER A 116 -15.967 0.688 -12.365 1.00 0.01 H new ATOM 0 HG SER A 116 -16.738 3.117 -11.898 1.00 0.01 H new ATOM 1794 N ILE A 117 -16.206 0.734 -8.234 1.00 0.01 N ATOM 1795 CA ILE A 117 -17.260 0.313 -7.268 1.00 0.01 C ATOM 1796 C ILE A 117 -18.612 0.923 -7.628 1.00 0.01 C ATOM 1797 O ILE A 117 -19.634 0.282 -7.487 1.00 0.00 O ATOM 1798 CB ILE A 117 -16.852 0.766 -5.865 1.00 0.57 C ATOM 1799 CG1 ILE A 117 -15.590 0.006 -5.448 1.00 1.44 C ATOM 1800 CG2 ILE A 117 -17.977 0.468 -4.869 1.00 0.93 C ATOM 1801 CD1 ILE A 117 -15.003 0.628 -4.180 1.00 1.83 C ATOM 0 H ILE A 117 -15.456 1.296 -7.830 1.00 0.01 H new ATOM 0 HA ILE A 117 -17.358 -0.772 -7.305 1.00 0.01 H new ATOM 0 HB ILE A 117 -16.660 1.839 -5.871 1.00 0.57 H new ATOM 0 HG12 ILE A 117 -15.828 -1.043 -5.272 1.00 1.44 H new ATOM 0 HG13 ILE A 117 -14.855 0.036 -6.252 1.00 1.44 H new ATOM 0 HG21 ILE A 117 -17.677 0.794 -3.873 1.00 0.93 H new ATOM 0 HG22 ILE A 117 -18.879 1.001 -5.169 1.00 0.93 H new ATOM 0 HG23 ILE A 117 -18.176 -0.604 -4.855 1.00 0.93 H new ATOM 0 HD11 ILE A 117 -14.105 0.082 -3.889 1.00 1.83 H new ATOM 0 HD12 ILE A 117 -14.748 1.671 -4.371 1.00 1.83 H new ATOM 0 HD13 ILE A 117 -15.737 0.575 -3.376 1.00 1.83 H new ATOM 1813 N MET A 118 -18.639 2.156 -8.057 1.00 0.02 N ATOM 1814 CA MET A 118 -19.948 2.783 -8.381 1.00 0.01 C ATOM 1815 C MET A 118 -20.564 2.105 -9.601 1.00 0.01 C ATOM 1816 O MET A 118 -21.758 1.916 -9.674 1.00 0.02 O ATOM 1817 CB MET A 118 -19.770 4.278 -8.652 1.00 0.24 C ATOM 1818 CG MET A 118 -21.143 4.944 -8.761 1.00 0.63 C ATOM 1819 SD MET A 118 -20.933 6.725 -9.003 1.00 1.20 S ATOM 1820 CE MET A 118 -20.844 6.700 -10.810 1.00 1.34 C ATOM 0 H MET A 118 -17.820 2.749 -8.195 1.00 0.02 H new ATOM 0 HA MET A 118 -20.615 2.658 -7.528 1.00 0.01 H new ATOM 0 HB2 MET A 118 -19.194 4.738 -7.849 1.00 0.24 H new ATOM 0 HB3 MET A 118 -19.208 4.427 -9.574 1.00 0.24 H new ATOM 0 HG2 MET A 118 -21.701 4.516 -9.594 1.00 0.63 H new ATOM 0 HG3 MET A 118 -21.723 4.755 -7.858 1.00 0.63 H new ATOM 0 HE1 MET A 118 -20.712 7.716 -11.182 1.00 1.34 H new ATOM 0 HE2 MET A 118 -20.000 6.086 -11.124 1.00 1.34 H new ATOM 0 HE3 MET A 118 -21.766 6.282 -11.214 1.00 1.34 H new ATOM 1830 N GLU A 119 -19.777 1.733 -10.566 1.00 0.01 N ATOM 1831 CA GLU A 119 -20.359 1.075 -11.764 1.00 0.02 C ATOM 1832 C GLU A 119 -20.863 -0.323 -11.396 1.00 0.02 C ATOM 1833 O GLU A 119 -21.870 -0.782 -11.898 1.00 0.01 O ATOM 1834 CB GLU A 119 -19.285 0.958 -12.849 1.00 0.30 C ATOM 1835 CG GLU A 119 -18.967 2.347 -13.407 1.00 0.99 C ATOM 1836 CD GLU A 119 -20.135 2.828 -14.268 1.00 1.69 C ATOM 1837 OE1 GLU A 119 -20.401 2.197 -15.279 1.00 2.07 O ATOM 1838 OE2 GLU A 119 -20.743 3.821 -13.903 1.00 2.11 O ATOM 0 H GLU A 119 -18.764 1.854 -10.579 1.00 0.01 H new ATOM 0 HA GLU A 119 -21.193 1.672 -12.133 1.00 0.02 H new ATOM 0 HB2 GLU A 119 -18.384 0.506 -12.436 1.00 0.30 H new ATOM 0 HB3 GLU A 119 -19.632 0.304 -13.649 1.00 0.30 H new ATOM 0 HG2 GLU A 119 -18.790 3.047 -12.591 1.00 0.99 H new ATOM 0 HG3 GLU A 119 -18.053 2.312 -14.001 1.00 0.99 H new ATOM 1845 N GLN A 120 -20.141 -1.024 -10.566 1.00 0.00 N ATOM 1846 CA GLN A 120 -20.547 -2.419 -10.219 1.00 0.01 C ATOM 1847 C GLN A 120 -21.660 -2.460 -9.167 1.00 0.01 C ATOM 1848 O GLN A 120 -22.599 -3.221 -9.286 1.00 0.01 O ATOM 1849 CB GLN A 120 -19.328 -3.175 -9.686 1.00 0.52 C ATOM 1850 CG GLN A 120 -19.739 -4.597 -9.295 1.00 1.07 C ATOM 1851 CD GLN A 120 -18.487 -5.444 -9.057 1.00 1.08 C ATOM 1852 OE1 GLN A 120 -17.310 -4.895 -9.177 1.00 0.98 O flip ATOM 1853 NE2 GLN A 120 -18.582 -6.618 -8.759 1.00 2.08 N flip ATOM 0 H GLN A 120 -19.289 -0.694 -10.113 1.00 0.00 H new ATOM 0 HA GLN A 120 -20.933 -2.885 -11.125 1.00 0.01 H new ATOM 0 HB2 GLN A 120 -18.546 -3.207 -10.445 1.00 0.52 H new ATOM 0 HB3 GLN A 120 -18.913 -2.655 -8.823 1.00 0.52 H new ATOM 0 HG2 GLN A 120 -20.352 -4.575 -8.394 1.00 1.07 H new ATOM 0 HG3 GLN A 120 -20.347 -5.041 -10.084 1.00 1.07 H new ATOM 0 HE21 GLN A 120 -19.502 -7.047 -8.665 1.00 2.08 H new ATOM 0 HE22 GLN A 120 -17.741 -7.174 -8.603 1.00 2.08 H new ATOM 1862 N PHE A 121 -21.525 -1.702 -8.103 1.00 0.02 N ATOM 1863 CA PHE A 121 -22.538 -1.763 -6.994 1.00 0.01 C ATOM 1864 C PHE A 121 -23.380 -0.489 -6.894 1.00 0.01 C ATOM 1865 O PHE A 121 -24.238 -0.383 -6.041 1.00 0.01 O ATOM 1866 CB PHE A 121 -21.805 -1.977 -5.671 1.00 0.01 C ATOM 1867 CG PHE A 121 -20.856 -3.145 -5.803 1.00 0.01 C ATOM 1868 CD1 PHE A 121 -19.566 -2.948 -6.307 1.00 0.01 C ATOM 1869 CD2 PHE A 121 -21.267 -4.428 -5.418 1.00 0.01 C ATOM 1870 CE1 PHE A 121 -18.688 -4.031 -6.427 1.00 0.01 C ATOM 1871 CE2 PHE A 121 -20.389 -5.511 -5.538 1.00 0.01 C ATOM 1872 CZ PHE A 121 -19.099 -5.312 -6.043 1.00 0.01 C ATOM 0 H PHE A 121 -20.760 -1.045 -7.953 1.00 0.02 H new ATOM 0 HA PHE A 121 -23.217 -2.587 -7.212 1.00 0.01 H new ATOM 0 HB2 PHE A 121 -21.254 -1.077 -5.398 1.00 0.01 H new ATOM 0 HB3 PHE A 121 -22.522 -2.166 -4.872 1.00 0.01 H new ATOM 0 HD1 PHE A 121 -19.248 -1.960 -6.604 1.00 0.01 H new ATOM 0 HD2 PHE A 121 -22.262 -4.581 -5.028 1.00 0.01 H new ATOM 0 HE1 PHE A 121 -17.692 -3.878 -6.816 1.00 0.01 H new ATOM 0 HE2 PHE A 121 -20.707 -6.500 -5.241 1.00 0.01 H new ATOM 0 HZ PHE A 121 -18.421 -6.147 -6.136 1.00 0.01 H new ATOM 1882 N HIS A 122 -23.152 0.480 -7.732 1.00 0.01 N ATOM 1883 CA HIS A 122 -23.953 1.731 -7.644 1.00 0.01 C ATOM 1884 C HIS A 122 -23.762 2.357 -6.260 1.00 0.01 C ATOM 1885 O HIS A 122 -24.659 2.969 -5.716 1.00 0.02 O ATOM 1886 CB HIS A 122 -25.432 1.408 -7.883 1.00 0.01 C ATOM 1887 CG HIS A 122 -25.550 0.371 -8.966 1.00 0.01 C ATOM 1888 ND1 HIS A 122 -25.520 -0.987 -8.692 1.00 0.01 N ATOM 1889 CD2 HIS A 122 -25.702 0.476 -10.327 1.00 0.01 C ATOM 1890 CE1 HIS A 122 -25.650 -1.639 -9.862 1.00 0.00 C ATOM 1891 NE2 HIS A 122 -25.765 -0.795 -10.890 1.00 0.01 N ATOM 0 H HIS A 122 -22.449 0.461 -8.471 1.00 0.01 H new ATOM 0 HA HIS A 122 -23.620 2.439 -8.403 1.00 0.01 H new ATOM 0 HB2 HIS A 122 -25.889 1.042 -6.963 1.00 0.01 H new ATOM 0 HB3 HIS A 122 -25.971 2.311 -8.169 1.00 0.01 H new ATOM 0 HD2 HIS A 122 -25.763 1.404 -10.877 1.00 0.01 H new ATOM 0 HE1 HIS A 122 -25.660 -2.715 -9.958 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -25.875 -1.031 -11.876 1.00 0.01 H new ATOM 1899 N LEU A 123 -22.587 2.202 -5.691 1.00 0.01 N ATOM 1900 CA LEU A 123 -22.305 2.783 -4.331 1.00 0.01 C ATOM 1901 C LEU A 123 -21.275 3.905 -4.482 1.00 0.02 C ATOM 1902 O LEU A 123 -20.295 3.771 -5.186 1.00 0.01 O ATOM 1903 CB LEU A 123 -21.737 1.679 -3.410 1.00 0.01 C ATOM 1904 CG LEU A 123 -22.870 0.977 -2.634 1.00 0.01 C ATOM 1905 CD1 LEU A 123 -22.398 -0.401 -2.159 1.00 0.01 C ATOM 1906 CD2 LEU A 123 -23.261 1.808 -1.404 1.00 0.01 C ATOM 0 H LEU A 123 -21.807 1.696 -6.110 1.00 0.01 H new ATOM 0 HA LEU A 123 -23.222 3.178 -3.894 1.00 0.01 H new ATOM 0 HB2 LEU A 123 -21.191 0.948 -4.006 1.00 0.01 H new ATOM 0 HB3 LEU A 123 -21.025 2.115 -2.709 1.00 0.01 H new ATOM 0 HG LEU A 123 -23.729 0.871 -3.297 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -23.202 -0.892 -1.611 1.00 0.01 H new ATOM 0 HD12 LEU A 123 -22.122 -1.008 -3.021 1.00 0.01 H new ATOM 0 HD13 LEU A 123 -21.533 -0.284 -1.506 1.00 0.01 H new ATOM 0 HD21 LEU A 123 -24.062 1.303 -0.863 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -22.396 1.920 -0.750 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -23.603 2.792 -1.724 1.00 0.01 H new ATOM 1918 N ARG A 124 -21.495 5.018 -3.827 1.00 0.01 N ATOM 1919 CA ARG A 124 -20.538 6.157 -3.933 1.00 0.00 C ATOM 1920 C ARG A 124 -19.496 6.088 -2.813 1.00 0.01 C ATOM 1921 O ARG A 124 -18.421 6.645 -2.919 1.00 0.01 O ATOM 1922 CB ARG A 124 -21.305 7.475 -3.820 1.00 1.67 C ATOM 1923 CG ARG A 124 -22.340 7.563 -4.942 1.00 1.98 C ATOM 1924 CD ARG A 124 -23.005 8.941 -4.919 1.00 2.92 C ATOM 1925 NE ARG A 124 -22.039 9.966 -5.406 1.00 3.54 N ATOM 1926 CZ ARG A 124 -22.463 11.152 -5.749 1.00 4.57 C ATOM 1927 NH1 ARG A 124 -23.733 11.442 -5.664 1.00 5.25 N ATOM 1928 NH2 ARG A 124 -21.615 12.047 -6.176 1.00 5.32 N ATOM 0 H ARG A 124 -22.299 5.185 -3.222 1.00 0.01 H new ATOM 0 HA ARG A 124 -20.030 6.099 -4.895 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -21.799 7.538 -2.850 1.00 1.67 H new ATOM 0 HB3 ARG A 124 -20.614 8.316 -3.882 1.00 1.67 H new ATOM 0 HG2 ARG A 124 -21.861 7.395 -5.907 1.00 1.98 H new ATOM 0 HG3 ARG A 124 -23.092 6.783 -4.819 1.00 1.98 H new ATOM 0 HD2 ARG A 124 -23.896 8.937 -5.547 1.00 2.92 H new ATOM 0 HD3 ARG A 124 -23.330 9.183 -3.907 1.00 2.92 H new ATOM 0 HE ARG A 124 -21.046 9.741 -5.471 1.00 3.54 H new ATOM 0 HH11 ARG A 124 -24.395 10.742 -5.329 1.00 5.25 H new ATOM 0 HH12 ARG A 124 -24.064 12.369 -5.932 1.00 5.25 H new ATOM 0 HH21 ARG A 124 -20.623 11.819 -6.241 1.00 5.32 H new ATOM 0 HH22 ARG A 124 -21.944 12.974 -6.445 1.00 5.32 H new ATOM 1942 N GLU A 125 -19.816 5.429 -1.724 1.00 0.01 N ATOM 1943 CA GLU A 125 -18.856 5.346 -0.580 1.00 0.01 C ATOM 1944 C GLU A 125 -19.051 4.024 0.175 1.00 0.01 C ATOM 1945 O GLU A 125 -20.068 3.372 0.052 1.00 0.01 O ATOM 1946 CB GLU A 125 -19.122 6.502 0.386 1.00 0.01 C ATOM 1947 CG GLU A 125 -18.893 7.833 -0.333 1.00 0.01 C ATOM 1948 CD GLU A 125 -18.856 8.969 0.691 1.00 0.02 C ATOM 1949 OE1 GLU A 125 -19.898 9.270 1.249 1.00 0.01 O ATOM 1950 OE2 GLU A 125 -17.788 9.518 0.900 1.00 0.02 O ATOM 0 H GLU A 125 -20.702 4.945 -1.579 1.00 0.01 H new ATOM 0 HA GLU A 125 -17.838 5.400 -0.967 1.00 0.01 H new ATOM 0 HB2 GLU A 125 -20.145 6.450 0.759 1.00 0.01 H new ATOM 0 HB3 GLU A 125 -18.463 6.426 1.251 1.00 0.01 H new ATOM 0 HG2 GLU A 125 -17.956 7.801 -0.890 1.00 0.01 H new ATOM 0 HG3 GLU A 125 -19.688 8.008 -1.057 1.00 0.01 H new ATOM 1957 N ILE A 126 -18.090 3.652 0.986 1.00 0.01 N ATOM 1958 CA ILE A 126 -18.206 2.398 1.802 1.00 0.01 C ATOM 1959 C ILE A 126 -17.824 2.751 3.242 1.00 0.01 C ATOM 1960 O ILE A 126 -16.822 3.404 3.466 1.00 0.01 O ATOM 1961 CB ILE A 126 -17.247 1.337 1.256 1.00 1.33 C ATOM 1962 CG1 ILE A 126 -17.769 0.858 -0.102 1.00 1.49 C ATOM 1963 CG2 ILE A 126 -17.181 0.147 2.225 1.00 2.17 C ATOM 1964 CD1 ILE A 126 -16.754 -0.082 -0.746 1.00 1.70 C ATOM 0 H ILE A 126 -17.220 4.168 1.120 1.00 0.01 H new ATOM 0 HA ILE A 126 -19.220 2.001 1.759 1.00 0.01 H new ATOM 0 HB ILE A 126 -16.249 1.763 1.147 1.00 1.33 H new ATOM 0 HG12 ILE A 126 -18.723 0.346 0.025 1.00 1.49 H new ATOM 0 HG13 ILE A 126 -17.951 1.713 -0.754 1.00 1.49 H new ATOM 0 HG21 ILE A 126 -16.497 -0.605 1.832 1.00 2.17 H new ATOM 0 HG22 ILE A 126 -16.825 0.488 3.197 1.00 2.17 H new ATOM 0 HG23 ILE A 126 -18.174 -0.288 2.335 1.00 2.17 H new ATOM 0 HD11 ILE A 126 -17.132 -0.419 -1.711 1.00 1.70 H new ATOM 0 HD12 ILE A 126 -15.810 0.444 -0.889 1.00 1.70 H new ATOM 0 HD13 ILE A 126 -16.594 -0.944 -0.098 1.00 1.70 H new ATOM 1976 N HIS A 127 -18.634 2.391 4.217 1.00 0.01 N ATOM 1977 CA HIS A 127 -18.317 2.796 5.634 1.00 0.01 C ATOM 1978 C HIS A 127 -17.804 1.635 6.490 1.00 0.01 C ATOM 1979 O HIS A 127 -17.240 1.851 7.545 1.00 0.01 O ATOM 1980 CB HIS A 127 -19.565 3.405 6.284 1.00 0.02 C ATOM 1981 CG HIS A 127 -19.807 4.785 5.731 1.00 0.01 C ATOM 1982 ND1 HIS A 127 -19.681 5.925 6.508 1.00 0.01 N ATOM 1983 CD2 HIS A 127 -20.170 5.220 4.481 1.00 0.01 C ATOM 1984 CE1 HIS A 127 -19.964 6.983 5.725 1.00 0.01 C ATOM 1985 NE2 HIS A 127 -20.268 6.608 4.479 1.00 0.02 N ATOM 0 H HIS A 127 -19.487 1.844 4.098 1.00 0.01 H new ATOM 0 HA HIS A 127 -17.513 3.531 5.584 1.00 0.01 H new ATOM 0 HB2 HIS A 127 -20.431 2.771 6.095 1.00 0.02 H new ATOM 0 HB3 HIS A 127 -19.436 3.454 7.365 1.00 0.02 H new ATOM 0 HD2 HIS A 127 -20.352 4.582 3.629 1.00 0.01 H new ATOM 0 HE1 HIS A 127 -19.947 8.009 6.062 1.00 0.01 H new ATOM 0 HE2 HIS A 127 -20.518 7.210 3.695 1.00 0.02 H new ATOM 1993 N SER A 128 -17.943 0.415 6.052 1.00 0.01 N ATOM 1994 CA SER A 128 -17.398 -0.718 6.864 1.00 0.01 C ATOM 1995 C SER A 128 -17.179 -1.907 5.937 1.00 0.01 C ATOM 1996 O SER A 128 -17.780 -2.001 4.890 1.00 0.01 O ATOM 1997 CB SER A 128 -18.381 -1.088 7.981 1.00 0.01 C ATOM 1998 OG SER A 128 -19.708 -0.943 7.507 1.00 0.01 O ATOM 0 H SER A 128 -18.403 0.151 5.180 1.00 0.01 H new ATOM 0 HA SER A 128 -16.455 -0.428 7.327 1.00 0.01 H new ATOM 0 HB2 SER A 128 -18.209 -2.114 8.306 1.00 0.01 H new ATOM 0 HB3 SER A 128 -18.221 -0.448 8.848 1.00 0.01 H new ATOM 0 HG SER A 128 -20.098 -0.122 7.873 1.00 0.01 H new ATOM 2004 N CYS A 129 -16.310 -2.812 6.282 1.00 0.01 N ATOM 2005 CA CYS A 129 -16.065 -3.963 5.378 1.00 0.01 C ATOM 2006 C CYS A 129 -15.338 -5.065 6.137 1.00 0.00 C ATOM 2007 O CYS A 129 -14.535 -4.805 7.012 1.00 0.01 O ATOM 2008 CB CYS A 129 -15.204 -3.507 4.199 1.00 0.69 C ATOM 2009 SG CYS A 129 -13.521 -3.190 4.782 1.00 1.22 S ATOM 0 H CYS A 129 -15.764 -2.805 7.143 1.00 0.01 H new ATOM 0 HA CYS A 129 -17.018 -4.344 5.011 1.00 0.01 H new ATOM 0 HB2 CYS A 129 -15.195 -4.272 3.422 1.00 0.69 H new ATOM 0 HB3 CYS A 129 -15.624 -2.605 3.754 1.00 0.69 H new ATOM 0 HG CYS A 129 -12.990 -2.236 4.077 1.00 1.22 H new ATOM 2015 N LYS A 130 -15.606 -6.302 5.800 1.00 0.01 N ATOM 2016 CA LYS A 130 -14.926 -7.437 6.494 1.00 0.01 C ATOM 2017 C LYS A 130 -14.178 -8.267 5.450 1.00 0.01 C ATOM 2018 O LYS A 130 -14.759 -8.928 4.612 1.00 0.01 O ATOM 2019 CB LYS A 130 -15.977 -8.305 7.225 1.00 0.55 C ATOM 2020 CG LYS A 130 -15.406 -8.829 8.550 1.00 0.80 C ATOM 2021 CD LYS A 130 -16.360 -9.869 9.140 1.00 0.29 C ATOM 2022 CE LYS A 130 -15.941 -10.185 10.576 1.00 0.33 C ATOM 2023 NZ LYS A 130 -16.866 -11.203 11.150 1.00 1.41 N ATOM 0 H LYS A 130 -16.268 -6.574 5.073 1.00 0.01 H new ATOM 0 HA LYS A 130 -14.219 -7.060 7.233 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -16.875 -7.717 7.415 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -16.272 -9.142 6.592 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -14.424 -9.273 8.385 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -15.270 -8.005 9.251 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -17.383 -9.492 9.122 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -16.344 -10.777 8.537 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -14.917 -10.557 10.594 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -15.961 -9.278 11.180 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -16.582 -11.419 12.127 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -17.837 -10.831 11.146 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -16.825 -12.071 10.578 1.00 1.41 H new ATOM 2037 N VAL A 131 -12.882 -8.219 5.518 1.00 0.01 N ATOM 2038 CA VAL A 131 -12.018 -8.986 4.584 1.00 0.01 C ATOM 2039 C VAL A 131 -11.389 -10.081 5.403 1.00 0.01 C ATOM 2040 O VAL A 131 -10.675 -9.795 6.351 1.00 0.01 O ATOM 2041 CB VAL A 131 -10.913 -8.075 4.035 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -10.064 -8.844 3.021 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -11.533 -6.848 3.359 1.00 0.01 C ATOM 0 H VAL A 131 -12.370 -7.663 6.203 1.00 0.01 H new ATOM 0 HA VAL A 131 -12.591 -9.380 3.745 1.00 0.01 H new ATOM 0 HB VAL A 131 -10.282 -7.748 4.861 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -9.281 -8.192 2.634 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -9.610 -9.708 3.507 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -10.695 -9.180 2.199 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -10.741 -6.207 2.972 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -12.173 -7.170 2.538 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -12.127 -6.293 4.086 1.00 0.01 H new ATOM 2053 N VAL A 132 -11.562 -11.336 5.034 1.00 0.01 N ATOM 2054 CA VAL A 132 -10.859 -12.403 5.812 1.00 0.01 C ATOM 2055 C VAL A 132 -10.499 -13.531 4.861 1.00 0.00 C ATOM 2056 O VAL A 132 -11.047 -14.611 4.936 1.00 0.01 O ATOM 2057 CB VAL A 132 -11.789 -12.937 6.907 1.00 1.22 C ATOM 2058 CG1 VAL A 132 -11.007 -13.881 7.824 1.00 1.00 C ATOM 2059 CG2 VAL A 132 -12.339 -11.771 7.734 1.00 1.98 C ATOM 0 H VAL A 132 -12.139 -11.655 4.256 1.00 0.01 H new ATOM 0 HA VAL A 132 -9.959 -11.998 6.275 1.00 0.01 H new ATOM 0 HB VAL A 132 -12.616 -13.475 6.444 1.00 1.22 H new ATOM 0 HG11 VAL A 132 -11.668 -14.261 8.603 1.00 1.00 H new ATOM 0 HG12 VAL A 132 -10.617 -14.715 7.240 1.00 1.00 H new ATOM 0 HG13 VAL A 132 -10.179 -13.340 8.282 1.00 1.00 H new ATOM 0 HG21 VAL A 132 -13.000 -12.156 8.511 1.00 1.98 H new ATOM 0 HG22 VAL A 132 -11.513 -11.230 8.195 1.00 1.98 H new ATOM 0 HG23 VAL A 132 -12.897 -11.096 7.085 1.00 1.98 H new ATOM 2069 N GLU A 133 -9.577 -13.306 3.983 1.00 0.01 N ATOM 2070 CA GLU A 133 -9.164 -14.374 3.039 1.00 0.01 C ATOM 2071 C GLU A 133 -8.194 -13.736 2.045 1.00 0.01 C ATOM 2072 O GLU A 133 -8.608 -12.951 1.209 1.00 0.01 O ATOM 2073 CB GLU A 133 -10.411 -14.976 2.328 1.00 0.00 C ATOM 2074 CG GLU A 133 -10.604 -16.451 2.725 1.00 0.00 C ATOM 2075 CD GLU A 133 -9.562 -17.312 2.014 1.00 0.00 C ATOM 2076 OE1 GLU A 133 -8.752 -16.751 1.294 1.00 0.00 O ATOM 2077 OE2 GLU A 133 -9.591 -18.518 2.201 1.00 0.00 O ATOM 0 H GLU A 133 -9.084 -12.420 3.874 1.00 0.01 H new ATOM 0 HA GLU A 133 -8.675 -15.199 3.557 1.00 0.01 H new ATOM 0 HB2 GLU A 133 -11.299 -14.403 2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -10.293 -14.897 1.247 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -10.508 -16.563 3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -11.608 -16.782 2.458 1.00 0.00 H new ATOM 2084 N GLY A 134 -6.929 -14.050 2.128 1.00 0.01 N ATOM 2085 CA GLY A 134 -5.943 -13.449 1.181 1.00 0.01 C ATOM 2086 C GLY A 134 -5.713 -11.975 1.534 1.00 0.01 C ATOM 2087 O GLY A 134 -6.214 -11.480 2.523 1.00 0.01 O ATOM 0 H GLY A 134 -6.535 -14.697 2.811 1.00 0.01 H new ATOM 0 HA2 GLY A 134 -5.001 -13.995 1.228 1.00 0.01 H new ATOM 0 HA3 GLY A 134 -6.309 -13.534 0.158 1.00 0.01 H new ATOM 2091 N THR A 135 -4.958 -11.269 0.724 1.00 0.01 N ATOM 2092 CA THR A 135 -4.682 -9.818 0.990 1.00 0.01 C ATOM 2093 C THR A 135 -5.404 -8.973 -0.067 1.00 0.01 C ATOM 2094 O THR A 135 -5.545 -9.382 -1.203 1.00 0.01 O ATOM 2095 CB THR A 135 -3.171 -9.571 0.904 1.00 1.43 C ATOM 2096 OG1 THR A 135 -2.487 -10.602 1.601 1.00 1.92 O ATOM 2097 CG2 THR A 135 -2.830 -8.218 1.530 1.00 2.30 C ATOM 0 H THR A 135 -4.517 -11.639 -0.118 1.00 0.01 H new ATOM 0 HA THR A 135 -5.038 -9.544 1.983 1.00 0.01 H new ATOM 0 HB THR A 135 -2.864 -9.568 -0.142 1.00 1.43 H new ATOM 0 HG1 THR A 135 -1.521 -10.448 1.547 1.00 1.92 H new ATOM 0 HG21 THR A 135 -1.755 -8.048 1.466 1.00 2.30 H new ATOM 0 HG22 THR A 135 -3.355 -7.427 0.995 1.00 2.30 H new ATOM 0 HG23 THR A 135 -3.136 -8.214 2.576 1.00 2.30 H new ATOM 2105 N TRP A 136 -5.881 -7.805 0.307 1.00 0.01 N ATOM 2106 CA TRP A 136 -6.621 -6.928 -0.664 1.00 0.01 C ATOM 2107 C TRP A 136 -6.083 -5.492 -0.612 1.00 0.01 C ATOM 2108 O TRP A 136 -5.731 -4.986 0.433 1.00 0.00 O ATOM 2109 CB TRP A 136 -8.109 -6.910 -0.297 1.00 0.01 C ATOM 2110 CG TRP A 136 -8.751 -8.201 -0.696 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -8.731 -9.337 0.036 1.00 0.01 C ATOM 2112 CD2 TRP A 136 -9.512 -8.504 -1.901 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -9.434 -10.317 -0.640 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -9.933 -9.853 -1.840 1.00 0.01 C ATOM 2115 CE3 TRP A 136 -9.874 -7.749 -3.029 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 -10.688 -10.430 -2.861 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 -10.633 -8.329 -4.060 1.00 0.01 C ATOM 2118 CH2 TRP A 136 -11.039 -9.667 -3.975 1.00 0.01 C ATOM 0 H TRP A 136 -5.789 -7.420 1.247 1.00 0.01 H new ATOM 0 HA TRP A 136 -6.481 -7.326 -1.669 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -8.225 -6.753 0.775 1.00 0.01 H new ATOM 0 HB3 TRP A 136 -8.605 -6.078 -0.797 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -8.245 -9.459 0.993 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -9.568 -11.267 -0.294 1.00 0.00 H new ATOM 0 HE3 TRP A 136 -9.567 -6.716 -3.104 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 -10.999 -11.462 -2.790 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 -10.905 -7.739 -4.923 1.00 0.01 H new ATOM 0 HH2 TRP A 136 -11.623 -10.107 -4.770 1.00 0.01 H new ATOM 2129 N ILE A 137 -6.060 -4.816 -1.735 1.00 0.01 N ATOM 2130 CA ILE A 137 -5.597 -3.391 -1.768 1.00 0.00 C ATOM 2131 C ILE A 137 -6.775 -2.535 -2.234 1.00 0.01 C ATOM 2132 O ILE A 137 -7.500 -2.918 -3.124 1.00 0.01 O ATOM 2133 CB ILE A 137 -4.453 -3.224 -2.775 1.00 0.60 C ATOM 2134 CG1 ILE A 137 -3.344 -4.242 -2.482 1.00 1.32 C ATOM 2135 CG2 ILE A 137 -3.875 -1.805 -2.664 1.00 1.37 C ATOM 2136 CD1 ILE A 137 -2.125 -3.942 -3.366 1.00 1.69 C ATOM 0 H ILE A 137 -6.345 -5.193 -2.639 1.00 0.01 H new ATOM 0 HA ILE A 137 -5.246 -3.094 -0.780 1.00 0.00 H new ATOM 0 HB ILE A 137 -4.839 -3.389 -3.781 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -3.063 -4.197 -1.430 1.00 1.32 H new ATOM 0 HG13 ILE A 137 -3.704 -5.253 -2.672 1.00 1.32 H new ATOM 0 HG21 ILE A 137 -3.062 -1.686 -3.380 1.00 1.37 H new ATOM 0 HG22 ILE A 137 -4.656 -1.076 -2.878 1.00 1.37 H new ATOM 0 HG23 ILE A 137 -3.496 -1.644 -1.655 1.00 1.37 H new ATOM 0 HD11 ILE A 137 -1.337 -4.666 -3.157 1.00 1.69 H new ATOM 0 HD12 ILE A 137 -2.411 -4.010 -4.416 1.00 1.69 H new ATOM 0 HD13 ILE A 137 -1.760 -2.937 -3.154 1.00 1.69 H new ATOM 2148 N PHE A 138 -6.933 -1.358 -1.669 1.00 0.01 N ATOM 2149 CA PHE A 138 -8.038 -0.432 -2.106 1.00 0.01 C ATOM 2150 C PHE A 138 -7.388 0.799 -2.741 1.00 0.01 C ATOM 2151 O PHE A 138 -6.357 1.259 -2.293 1.00 0.00 O ATOM 2152 CB PHE A 138 -8.957 -0.060 -0.901 1.00 1.11 C ATOM 2153 CG PHE A 138 -8.646 1.298 -0.264 1.00 1.11 C ATOM 2154 CD1 PHE A 138 -8.804 2.499 -0.987 1.00 1.54 C ATOM 2155 CD2 PHE A 138 -8.239 1.353 1.077 1.00 1.46 C ATOM 2156 CE1 PHE A 138 -8.543 3.730 -0.371 1.00 2.35 C ATOM 2157 CE2 PHE A 138 -7.985 2.586 1.689 1.00 2.01 C ATOM 2158 CZ PHE A 138 -8.134 3.773 0.965 1.00 2.49 C ATOM 0 H PHE A 138 -6.343 -0.995 -0.920 1.00 0.01 H new ATOM 0 HA PHE A 138 -8.683 -0.917 -2.839 1.00 0.01 H new ATOM 0 HB2 PHE A 138 -9.994 -0.061 -1.237 1.00 1.11 H new ATOM 0 HB3 PHE A 138 -8.868 -0.834 -0.139 1.00 1.11 H new ATOM 0 HD1 PHE A 138 -9.127 2.469 -2.017 1.00 1.54 H new ATOM 0 HD2 PHE A 138 -8.121 0.439 1.640 1.00 1.46 H new ATOM 0 HE1 PHE A 138 -8.658 4.647 -0.929 1.00 2.35 H new ATOM 0 HE2 PHE A 138 -7.673 2.621 2.722 1.00 2.01 H new ATOM 0 HZ PHE A 138 -7.933 4.723 1.438 1.00 2.49 H new ATOM 2168 N TYR A 139 -7.994 1.343 -3.772 1.00 0.01 N ATOM 2169 CA TYR A 139 -7.437 2.561 -4.443 1.00 0.01 C ATOM 2170 C TYR A 139 -8.485 3.676 -4.390 1.00 0.01 C ATOM 2171 O TYR A 139 -9.681 3.422 -4.433 1.00 0.01 O ATOM 2172 CB TYR A 139 -7.111 2.247 -5.906 1.00 0.01 C ATOM 2173 CG TYR A 139 -6.255 1.001 -5.987 1.00 0.01 C ATOM 2174 CD1 TYR A 139 -6.823 -0.251 -5.734 1.00 0.01 C ATOM 2175 CD2 TYR A 139 -4.898 1.098 -6.318 1.00 0.01 C ATOM 2176 CE1 TYR A 139 -6.038 -1.407 -5.809 1.00 0.01 C ATOM 2177 CE2 TYR A 139 -4.111 -0.059 -6.395 1.00 0.02 C ATOM 2178 CZ TYR A 139 -4.682 -1.311 -6.141 1.00 0.02 C ATOM 2179 OH TYR A 139 -3.907 -2.450 -6.216 1.00 0.00 O ATOM 0 H TYR A 139 -8.860 0.990 -4.180 1.00 0.01 H new ATOM 0 HA TYR A 139 -6.526 2.874 -3.932 1.00 0.01 H new ATOM 0 HB2 TYR A 139 -8.032 2.103 -6.470 1.00 0.01 H new ATOM 0 HB3 TYR A 139 -6.588 3.089 -6.360 1.00 0.01 H new ATOM 0 HD1 TYR A 139 -7.870 -0.326 -5.480 1.00 0.01 H new ATOM 0 HD2 TYR A 139 -4.458 2.065 -6.514 1.00 0.01 H new ATOM 0 HE1 TYR A 139 -6.479 -2.373 -5.611 1.00 0.01 H new ATOM 0 HE2 TYR A 139 -3.064 0.016 -6.650 1.00 0.02 H new ATOM 0 HH TYR A 139 -2.989 -2.206 -6.459 1.00 0.00 H new ATOM 2189 N GLU A 140 -8.047 4.898 -4.226 1.00 0.01 N ATOM 2190 CA GLU A 140 -9.001 6.038 -4.085 1.00 0.02 C ATOM 2191 C GLU A 140 -9.654 6.395 -5.427 1.00 0.01 C ATOM 2192 O GLU A 140 -10.775 6.865 -5.446 1.00 0.01 O ATOM 2193 CB GLU A 140 -8.203 7.243 -3.570 1.00 0.01 C ATOM 2194 CG GLU A 140 -9.147 8.280 -2.948 1.00 0.02 C ATOM 2195 CD GLU A 140 -9.998 8.929 -4.041 1.00 0.02 C ATOM 2196 OE1 GLU A 140 -9.433 9.626 -4.866 1.00 0.02 O ATOM 2197 OE2 GLU A 140 -11.199 8.720 -4.032 1.00 0.01 O ATOM 0 H GLU A 140 -7.061 5.156 -4.183 1.00 0.01 H new ATOM 0 HA GLU A 140 -9.799 5.761 -3.396 1.00 0.02 H new ATOM 0 HB2 GLU A 140 -7.473 6.915 -2.830 1.00 0.01 H new ATOM 0 HB3 GLU A 140 -7.644 7.695 -4.390 1.00 0.01 H new ATOM 0 HG2 GLU A 140 -9.790 7.802 -2.209 1.00 0.02 H new ATOM 0 HG3 GLU A 140 -8.570 9.042 -2.423 1.00 0.02 H new ATOM 2204 N LEU A 141 -8.992 6.190 -6.548 1.00 0.01 N ATOM 2205 CA LEU A 141 -9.619 6.541 -7.868 1.00 0.02 C ATOM 2206 C LEU A 141 -9.824 5.250 -8.685 1.00 0.01 C ATOM 2207 O LEU A 141 -9.091 4.289 -8.517 1.00 0.01 O ATOM 2208 CB LEU A 141 -8.670 7.490 -8.629 1.00 0.57 C ATOM 2209 CG LEU A 141 -8.872 8.945 -8.157 1.00 0.81 C ATOM 2210 CD1 LEU A 141 -7.610 9.763 -8.452 1.00 1.48 C ATOM 2211 CD2 LEU A 141 -10.058 9.589 -8.889 1.00 1.24 C ATOM 0 H LEU A 141 -8.052 5.798 -6.605 1.00 0.01 H new ATOM 0 HA LEU A 141 -10.581 7.029 -7.713 1.00 0.02 H new ATOM 0 HB2 LEU A 141 -7.635 7.188 -8.465 1.00 0.57 H new ATOM 0 HB3 LEU A 141 -8.857 7.419 -9.701 1.00 0.57 H new ATOM 0 HG LEU A 141 -9.072 8.934 -7.086 1.00 0.81 H new ATOM 0 HD11 LEU A 141 -7.756 10.790 -8.118 1.00 1.48 H new ATOM 0 HD12 LEU A 141 -6.762 9.326 -7.924 1.00 1.48 H new ATOM 0 HD13 LEU A 141 -7.414 9.755 -9.524 1.00 1.48 H new ATOM 0 HD21 LEU A 141 -10.185 10.615 -8.543 1.00 1.24 H new ATOM 0 HD22 LEU A 141 -9.867 9.589 -9.962 1.00 1.24 H new ATOM 0 HD23 LEU A 141 -10.965 9.021 -8.682 1.00 1.24 H new ATOM 2223 N PRO A 142 -10.800 5.222 -9.576 1.00 0.01 N ATOM 2224 CA PRO A 142 -11.061 4.007 -10.397 1.00 0.01 C ATOM 2225 C PRO A 142 -9.814 3.526 -11.145 1.00 0.01 C ATOM 2226 O PRO A 142 -8.796 4.192 -11.205 1.00 0.01 O ATOM 2227 CB PRO A 142 -12.156 4.482 -11.380 1.00 0.01 C ATOM 2228 CG PRO A 142 -12.409 5.982 -11.137 1.00 0.02 C ATOM 2229 CD PRO A 142 -11.702 6.384 -9.835 1.00 0.01 C ATOM 0 HA PRO A 142 -11.359 3.151 -9.791 1.00 0.01 H new ATOM 0 HB2 PRO A 142 -11.841 4.312 -12.410 1.00 0.01 H new ATOM 0 HB3 PRO A 142 -13.074 3.913 -11.230 1.00 0.01 H new ATOM 0 HG2 PRO A 142 -12.031 6.571 -11.972 1.00 0.02 H new ATOM 0 HG3 PRO A 142 -13.478 6.180 -11.065 1.00 0.02 H new ATOM 0 HD2 PRO A 142 -11.143 7.313 -9.948 1.00 0.01 H new ATOM 0 HD3 PRO A 142 -12.410 6.536 -9.020 1.00 0.01 H new ATOM 2237 N ASN A 143 -9.929 2.362 -11.726 1.00 0.01 N ATOM 2238 CA ASN A 143 -8.813 1.773 -12.517 1.00 0.01 C ATOM 2239 C ASN A 143 -7.558 1.626 -11.665 1.00 0.01 C ATOM 2240 O ASN A 143 -6.446 1.688 -12.151 1.00 0.01 O ATOM 2241 CB ASN A 143 -8.508 2.684 -13.709 1.00 0.23 C ATOM 2242 CG ASN A 143 -9.813 3.051 -14.419 1.00 0.11 C ATOM 2243 OD1 ASN A 143 -10.934 2.513 -14.020 1.00 0.75 O flip ATOM 2244 ND2 ASN A 143 -9.812 3.835 -15.348 1.00 0.56 N flip ATOM 0 H ASN A 143 -10.768 1.784 -11.684 1.00 0.01 H new ATOM 0 HA ASN A 143 -9.115 0.784 -12.862 1.00 0.01 H new ATOM 0 HB2 ASN A 143 -8.000 3.587 -13.370 1.00 0.23 H new ATOM 0 HB3 ASN A 143 -7.834 2.180 -14.402 1.00 0.23 H new ATOM 0 HD21 ASN A 143 -8.936 4.255 -15.660 1.00 0.56 H new ATOM 0 HD22 ASN A 143 -10.687 4.073 -15.816 1.00 0.56 H new ATOM 2251 N TYR A 144 -7.736 1.403 -10.395 1.00 0.01 N ATOM 2252 CA TYR A 144 -6.575 1.213 -9.489 1.00 0.02 C ATOM 2253 C TYR A 144 -5.635 2.419 -9.562 1.00 0.01 C ATOM 2254 O TYR A 144 -4.435 2.270 -9.688 1.00 0.01 O ATOM 2255 CB TYR A 144 -5.823 -0.063 -9.899 1.00 0.01 C ATOM 2256 CG TYR A 144 -6.814 -1.078 -10.430 1.00 0.01 C ATOM 2257 CD1 TYR A 144 -7.909 -1.461 -9.644 1.00 0.01 C ATOM 2258 CD2 TYR A 144 -6.643 -1.631 -11.708 1.00 0.01 C ATOM 2259 CE1 TYR A 144 -8.830 -2.397 -10.134 1.00 0.01 C ATOM 2260 CE2 TYR A 144 -7.565 -2.564 -12.196 1.00 0.01 C ATOM 2261 CZ TYR A 144 -8.657 -2.946 -11.409 1.00 0.01 C ATOM 2262 OH TYR A 144 -9.566 -3.866 -11.890 1.00 0.01 O ATOM 0 H TYR A 144 -8.648 1.344 -9.942 1.00 0.01 H new ATOM 0 HA TYR A 144 -6.932 1.118 -8.463 1.00 0.02 H new ATOM 0 HB2 TYR A 144 -5.078 0.169 -10.661 1.00 0.01 H new ATOM 0 HB3 TYR A 144 -5.287 -0.474 -9.044 1.00 0.01 H new ATOM 0 HD1 TYR A 144 -8.043 -1.035 -8.661 1.00 0.01 H new ATOM 0 HD2 TYR A 144 -5.800 -1.337 -12.315 1.00 0.01 H new ATOM 0 HE1 TYR A 144 -9.673 -2.694 -9.528 1.00 0.01 H new ATOM 0 HE2 TYR A 144 -7.434 -2.989 -13.180 1.00 0.01 H new ATOM 0 HH TYR A 144 -9.301 -4.148 -12.790 1.00 0.01 H new ATOM 2272 N ARG A 145 -6.174 3.612 -9.478 1.00 0.02 N ATOM 2273 CA ARG A 145 -5.312 4.842 -9.533 1.00 0.01 C ATOM 2274 C ARG A 145 -5.493 5.661 -8.253 1.00 0.01 C ATOM 2275 O ARG A 145 -6.427 5.452 -7.504 1.00 0.01 O ATOM 2276 CB ARG A 145 -5.730 5.699 -10.729 1.00 0.01 C ATOM 2277 CG ARG A 145 -5.392 4.965 -12.028 1.00 0.02 C ATOM 2278 CD ARG A 145 -5.904 5.773 -13.222 1.00 0.01 C ATOM 2279 NE ARG A 145 -5.807 4.950 -14.459 1.00 0.01 N ATOM 2280 CZ ARG A 145 -6.453 5.310 -15.534 1.00 0.01 C ATOM 2281 NH1 ARG A 145 -7.188 6.388 -15.523 1.00 0.02 N ATOM 2282 NH2 ARG A 145 -6.363 4.590 -16.618 1.00 0.01 N ATOM 0 H ARG A 145 -7.173 3.790 -9.374 1.00 0.02 H new ATOM 0 HA ARG A 145 -4.269 4.542 -9.631 1.00 0.01 H new ATOM 0 HB2 ARG A 145 -6.799 5.907 -10.684 1.00 0.01 H new ATOM 0 HB3 ARG A 145 -5.217 6.660 -10.698 1.00 0.01 H new ATOM 0 HG2 ARG A 145 -4.314 4.823 -12.107 1.00 0.02 H new ATOM 0 HG3 ARG A 145 -5.845 3.974 -12.026 1.00 0.02 H new ATOM 0 HD2 ARG A 145 -6.938 6.075 -13.054 1.00 0.01 H new ATOM 0 HD3 ARG A 145 -5.320 6.686 -13.334 1.00 0.01 H new ATOM 0 HE ARG A 145 -5.236 4.105 -14.466 1.00 0.01 H new ATOM 0 HH11 ARG A 145 -7.258 6.949 -14.674 1.00 0.02 H new ATOM 0 HH12 ARG A 145 -7.693 6.670 -16.363 1.00 0.02 H new ATOM 0 HH21 ARG A 145 -5.788 3.747 -16.624 1.00 0.01 H new ATOM 0 HH22 ARG A 145 -6.867 4.870 -17.459 1.00 0.01 H new ATOM 2296 N GLY A 146 -4.595 6.575 -7.975 1.00 0.01 N ATOM 2297 CA GLY A 146 -4.703 7.397 -6.730 1.00 0.02 C ATOM 2298 C GLY A 146 -3.956 6.709 -5.582 1.00 0.01 C ATOM 2299 O GLY A 146 -3.173 5.802 -5.786 1.00 0.02 O ATOM 0 H GLY A 146 -3.788 6.788 -8.561 1.00 0.01 H new ATOM 0 HA2 GLY A 146 -4.287 8.390 -6.902 1.00 0.02 H new ATOM 0 HA3 GLY A 146 -5.751 7.532 -6.463 1.00 0.02 H new ATOM 2303 N ARG A 147 -4.194 7.148 -4.375 1.00 0.01 N ATOM 2304 CA ARG A 147 -3.505 6.542 -3.196 1.00 0.01 C ATOM 2305 C ARG A 147 -4.008 5.113 -3.002 1.00 0.01 C ATOM 2306 O ARG A 147 -5.163 4.802 -3.225 1.00 0.01 O ATOM 2307 CB ARG A 147 -3.827 7.371 -1.951 1.00 0.01 C ATOM 2308 CG ARG A 147 -2.898 6.955 -0.808 1.00 0.01 C ATOM 2309 CD ARG A 147 -3.284 7.714 0.462 1.00 0.01 C ATOM 2310 NE ARG A 147 -3.391 9.170 0.158 1.00 0.02 N ATOM 2311 CZ ARG A 147 -3.991 9.970 0.996 1.00 0.02 C ATOM 2312 NH1 ARG A 147 -4.505 9.495 2.098 1.00 0.01 N ATOM 2313 NH2 ARG A 147 -4.078 11.244 0.732 1.00 0.02 N ATOM 0 H ARG A 147 -4.840 7.905 -4.153 1.00 0.01 H new ATOM 0 HA ARG A 147 -2.427 6.529 -3.359 1.00 0.01 H new ATOM 0 HB2 ARG A 147 -3.704 8.433 -2.166 1.00 0.01 H new ATOM 0 HB3 ARG A 147 -4.867 7.223 -1.661 1.00 0.01 H new ATOM 0 HG2 ARG A 147 -2.970 5.881 -0.639 1.00 0.01 H new ATOM 0 HG3 ARG A 147 -1.862 7.168 -1.071 1.00 0.01 H new ATOM 0 HD2 ARG A 147 -4.233 7.341 0.847 1.00 0.01 H new ATOM 0 HD3 ARG A 147 -2.538 7.548 1.239 1.00 0.01 H new ATOM 0 HE ARG A 147 -2.995 9.541 -0.706 1.00 0.02 H new ATOM 0 HH11 ARG A 147 -4.438 8.498 2.304 1.00 0.01 H new ATOM 0 HH12 ARG A 147 -4.974 10.121 2.753 1.00 0.01 H new ATOM 0 HH21 ARG A 147 -3.677 11.615 -0.129 1.00 0.02 H new ATOM 0 HH22 ARG A 147 -4.547 11.870 1.387 1.00 0.02 H new ATOM 2327 N GLN A 148 -3.112 4.232 -2.616 1.00 0.01 N ATOM 2328 CA GLN A 148 -3.460 2.790 -2.430 1.00 0.01 C ATOM 2329 C GLN A 148 -3.231 2.394 -0.963 1.00 0.01 C ATOM 2330 O GLN A 148 -2.348 2.906 -0.302 1.00 0.01 O ATOM 2331 CB GLN A 148 -2.520 1.964 -3.332 1.00 0.00 C ATOM 2332 CG GLN A 148 -2.176 2.762 -4.593 1.00 0.02 C ATOM 2333 CD GLN A 148 -1.518 1.840 -5.620 1.00 0.02 C ATOM 2334 OE1 GLN A 148 -0.938 0.833 -5.265 1.00 0.02 O ATOM 2335 NE2 GLN A 148 -1.585 2.143 -6.887 1.00 0.01 N ATOM 0 H GLN A 148 -2.137 4.459 -2.419 1.00 0.01 H new ATOM 0 HA GLN A 148 -4.503 2.610 -2.688 1.00 0.01 H new ATOM 0 HB2 GLN A 148 -1.608 1.713 -2.790 1.00 0.00 H new ATOM 0 HB3 GLN A 148 -2.998 1.023 -3.605 1.00 0.00 H new ATOM 0 HG2 GLN A 148 -3.079 3.205 -5.013 1.00 0.02 H new ATOM 0 HG3 GLN A 148 -1.504 3.583 -4.344 1.00 0.02 H new ATOM 0 HE21 GLN A 148 -2.072 2.988 -7.184 1.00 0.01 H new ATOM 0 HE22 GLN A 148 -1.150 1.534 -7.581 1.00 0.01 H new ATOM 2344 N TYR A 149 -4.012 1.472 -0.463 1.00 0.01 N ATOM 2345 CA TYR A 149 -3.856 1.006 0.956 1.00 0.01 C ATOM 2346 C TYR A 149 -3.788 -0.530 0.969 1.00 0.01 C ATOM 2347 O TYR A 149 -4.479 -1.181 0.214 1.00 0.01 O ATOM 2348 CB TYR A 149 -5.060 1.491 1.780 1.00 0.01 C ATOM 2349 CG TYR A 149 -4.639 1.786 3.210 1.00 0.01 C ATOM 2350 CD1 TYR A 149 -4.240 0.741 4.051 1.00 0.01 C ATOM 2351 CD2 TYR A 149 -4.648 3.104 3.689 1.00 0.01 C ATOM 2352 CE1 TYR A 149 -3.849 1.012 5.370 1.00 0.01 C ATOM 2353 CE2 TYR A 149 -4.258 3.374 5.005 1.00 0.01 C ATOM 2354 CZ TYR A 149 -3.858 2.329 5.846 1.00 0.01 C ATOM 2355 OH TYR A 149 -3.473 2.597 7.145 1.00 0.01 O ATOM 0 H TYR A 149 -4.762 1.014 -0.981 1.00 0.01 H new ATOM 0 HA TYR A 149 -2.942 1.411 1.390 1.00 0.01 H new ATOM 0 HB2 TYR A 149 -5.482 2.388 1.326 1.00 0.01 H new ATOM 0 HB3 TYR A 149 -5.842 0.732 1.774 1.00 0.01 H new ATOM 0 HD1 TYR A 149 -4.233 -0.275 3.684 1.00 0.01 H new ATOM 0 HD2 TYR A 149 -4.956 3.911 3.041 1.00 0.01 H new ATOM 0 HE1 TYR A 149 -3.541 0.205 6.019 1.00 0.01 H new ATOM 0 HE2 TYR A 149 -4.266 4.390 5.372 1.00 0.01 H new ATOM 0 HH TYR A 149 -3.537 3.560 7.313 1.00 0.01 H new ATOM 2365 N LEU A 150 -2.973 -1.108 1.819 1.00 0.01 N ATOM 2366 CA LEU A 150 -2.869 -2.607 1.872 1.00 0.01 C ATOM 2367 C LEU A 150 -3.756 -3.138 3.006 1.00 0.01 C ATOM 2368 O LEU A 150 -3.593 -2.779 4.155 1.00 0.01 O ATOM 2369 CB LEU A 150 -1.406 -2.984 2.118 1.00 0.01 C ATOM 2370 CG LEU A 150 -1.192 -4.476 1.807 1.00 0.01 C ATOM 2371 CD1 LEU A 150 0.306 -4.777 1.792 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -1.889 -5.360 2.864 1.00 0.01 C ATOM 0 H LEU A 150 -2.375 -0.610 2.479 1.00 0.01 H new ATOM 0 HA LEU A 150 -3.204 -3.047 0.933 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -0.754 -2.375 1.491 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -1.137 -2.777 3.154 1.00 0.01 H new ATOM 0 HG LEU A 150 -1.626 -4.698 0.832 1.00 0.01 H new ATOM 0 HD11 LEU A 150 0.463 -5.833 1.572 1.00 0.01 H new ATOM 0 HD12 LEU A 150 0.791 -4.171 1.027 1.00 0.01 H new ATOM 0 HD13 LEU A 150 0.734 -4.542 2.766 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -1.725 -6.411 2.625 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -1.476 -5.143 3.849 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -2.959 -5.151 2.865 1.00 0.01 H new ATOM 2384 N LEU A 151 -4.702 -3.990 2.679 1.00 0.01 N ATOM 2385 CA LEU A 151 -5.627 -4.557 3.712 1.00 0.01 C ATOM 2386 C LEU A 151 -5.296 -6.026 3.997 1.00 0.01 C ATOM 2387 O LEU A 151 -5.067 -6.809 3.097 1.00 0.01 O ATOM 2388 CB LEU A 151 -7.063 -4.467 3.193 1.00 0.01 C ATOM 2389 CG LEU A 151 -7.296 -3.095 2.557 1.00 0.01 C ATOM 2390 CD1 LEU A 151 -8.754 -2.984 2.098 1.00 0.01 C ATOM 2391 CD2 LEU A 151 -6.993 -1.999 3.587 1.00 0.01 C ATOM 0 H LEU A 151 -4.873 -4.319 1.729 1.00 0.01 H new ATOM 0 HA LEU A 151 -5.512 -3.987 4.634 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -7.245 -5.254 2.461 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -7.766 -4.624 4.011 1.00 0.01 H new ATOM 0 HG LEU A 151 -6.638 -2.975 1.696 1.00 0.01 H new ATOM 0 HD11 LEU A 151 -8.919 -2.006 1.645 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -8.965 -3.764 1.366 1.00 0.01 H new ATOM 0 HD13 LEU A 151 -9.416 -3.103 2.956 1.00 0.01 H new ATOM 0 HD21 LEU A 151 -7.158 -1.020 3.136 1.00 0.01 H new ATOM 0 HD22 LEU A 151 -7.650 -2.117 4.448 1.00 0.01 H new ATOM 0 HD23 LEU A 151 -5.955 -2.079 3.909 1.00 0.01 H new ATOM 2403 N ASP A 152 -5.319 -6.409 5.249 1.00 0.01 N ATOM 2404 CA ASP A 152 -5.052 -7.835 5.623 1.00 0.01 C ATOM 2405 C ASP A 152 -6.364 -8.453 6.118 1.00 0.00 C ATOM 2406 O ASP A 152 -7.331 -7.755 6.343 1.00 0.01 O ATOM 2407 CB ASP A 152 -4.011 -7.881 6.748 1.00 1.04 C ATOM 2408 CG ASP A 152 -3.532 -9.321 6.944 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -3.136 -9.929 5.964 1.00 1.57 O ATOM 2410 OD2 ASP A 152 -3.565 -9.789 8.070 1.00 2.27 O ATOM 0 H ASP A 152 -5.513 -5.790 6.036 1.00 0.01 H new ATOM 0 HA ASP A 152 -4.673 -8.387 4.763 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -3.167 -7.236 6.503 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -4.444 -7.502 7.674 1.00 1.04 H new ATOM 2415 N LYS A 153 -6.417 -9.747 6.291 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.681 -10.373 6.777 1.00 0.01 C ATOM 2417 C LYS A 153 -8.124 -9.661 8.065 1.00 0.01 C ATOM 2418 O LYS A 153 -7.753 -10.054 9.153 1.00 0.01 O ATOM 2419 CB LYS A 153 -7.434 -11.860 7.060 1.00 0.38 C ATOM 2420 CG LYS A 153 -6.034 -12.048 7.654 1.00 0.71 C ATOM 2421 CD LYS A 153 -5.907 -13.463 8.224 1.00 0.72 C ATOM 2422 CE LYS A 153 -4.513 -13.644 8.827 1.00 1.09 C ATOM 2423 NZ LYS A 153 -4.488 -14.872 9.669 1.00 1.84 N ATOM 0 H LYS A 153 -5.647 -10.393 6.119 1.00 0.01 H new ATOM 0 HA LYS A 153 -8.461 -10.279 6.022 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -8.187 -12.238 7.752 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -7.529 -12.436 6.139 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -5.277 -11.884 6.887 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -5.858 -11.311 8.438 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -6.669 -13.630 8.985 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -6.074 -14.200 7.438 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -3.770 -13.720 8.033 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -4.250 -12.774 9.428 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -3.540 -14.993 10.078 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -5.186 -14.782 10.434 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -4.721 -15.699 9.083 1.00 1.84 H new ATOM 2437 N LYS A 154 -8.892 -8.598 7.947 1.00 0.00 N ATOM 2438 CA LYS A 154 -9.334 -7.838 9.168 1.00 0.01 C ATOM 2439 C LYS A 154 -10.817 -7.459 9.090 1.00 0.01 C ATOM 2440 O LYS A 154 -11.452 -7.539 8.054 1.00 0.00 O ATOM 2441 CB LYS A 154 -8.496 -6.562 9.288 1.00 0.39 C ATOM 2442 CG LYS A 154 -7.068 -6.927 9.688 1.00 0.48 C ATOM 2443 CD LYS A 154 -6.266 -5.649 9.938 1.00 0.97 C ATOM 2444 CE LYS A 154 -4.927 -6.006 10.585 1.00 1.44 C ATOM 2445 NZ LYS A 154 -4.203 -4.757 10.948 1.00 2.28 N ATOM 0 H LYS A 154 -9.231 -8.224 7.061 1.00 0.00 H new ATOM 0 HA LYS A 154 -9.193 -8.478 10.039 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -8.493 -6.025 8.339 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -8.934 -5.895 10.031 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -7.077 -7.545 10.586 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -6.598 -7.516 8.901 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -6.099 -5.122 8.999 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -6.827 -4.976 10.586 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -5.091 -6.615 11.474 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -4.326 -6.601 9.897 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -3.292 -4.999 11.388 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -4.034 -4.192 10.091 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -4.776 -4.206 11.619 1.00 2.28 H new ATOM 2459 N GLU A 155 -11.354 -7.004 10.196 1.00 0.01 N ATOM 2460 CA GLU A 155 -12.782 -6.557 10.249 1.00 0.01 C ATOM 2461 C GLU A 155 -12.800 -5.039 10.492 1.00 0.01 C ATOM 2462 O GLU A 155 -12.464 -4.576 11.562 1.00 0.01 O ATOM 2463 CB GLU A 155 -13.497 -7.279 11.398 1.00 0.01 C ATOM 2464 CG GLU A 155 -12.529 -7.464 12.571 1.00 0.01 C ATOM 2465 CD GLU A 155 -13.288 -8.020 13.778 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -14.474 -7.753 13.880 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -12.670 -8.701 14.579 1.00 0.01 O ATOM 0 H GLU A 155 -10.853 -6.922 11.081 1.00 0.01 H new ATOM 0 HA GLU A 155 -13.292 -6.791 9.315 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -14.366 -6.704 11.718 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -13.864 -8.248 11.060 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -11.725 -8.144 12.289 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -12.065 -6.511 12.827 1.00 0.01 H new ATOM 2474 N TYR A 156 -13.171 -4.260 9.502 1.00 0.00 N ATOM 2475 CA TYR A 156 -13.187 -2.770 9.673 1.00 0.01 C ATOM 2476 C TYR A 156 -14.614 -2.282 9.935 1.00 0.01 C ATOM 2477 O TYR A 156 -15.483 -2.413 9.096 1.00 0.01 O ATOM 2478 CB TYR A 156 -12.643 -2.120 8.398 1.00 0.01 C ATOM 2479 CG TYR A 156 -11.242 -2.615 8.133 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -10.151 -1.997 8.755 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -11.033 -3.691 7.262 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -8.852 -2.454 8.507 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -9.733 -4.148 7.013 1.00 0.01 C ATOM 2484 CZ TYR A 156 -8.643 -3.530 7.636 1.00 0.01 C ATOM 2485 OH TYR A 156 -7.363 -3.979 7.390 1.00 0.01 O ATOM 0 H TYR A 156 -13.463 -4.592 8.583 1.00 0.00 H new ATOM 0 HA TYR A 156 -12.565 -2.495 10.525 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -13.289 -2.358 7.553 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -12.642 -1.035 8.503 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -10.312 -1.167 9.427 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -11.874 -4.169 6.782 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -8.011 -1.977 8.987 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -9.572 -4.977 6.340 1.00 0.01 H new ATOM 0 HH TYR A 156 -7.395 -4.732 6.764 1.00 0.01 H new ATOM 2495 N ARG A 157 -14.874 -1.754 11.103 1.00 0.01 N ATOM 2496 CA ARG A 157 -16.261 -1.302 11.429 1.00 0.01 C ATOM 2497 C ARG A 157 -16.459 0.179 11.088 1.00 0.00 C ATOM 2498 O ARG A 157 -17.566 0.602 10.831 1.00 0.01 O ATOM 2499 CB ARG A 157 -16.509 -1.507 12.925 1.00 0.01 C ATOM 2500 CG ARG A 157 -15.326 -0.952 13.722 1.00 0.01 C ATOM 2501 CD ARG A 157 -15.680 -0.921 15.210 1.00 0.00 C ATOM 2502 NE ARG A 157 -14.607 -0.209 15.959 1.00 0.01 N ATOM 2503 CZ ARG A 157 -14.825 0.205 17.177 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -15.982 -0.003 17.743 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -13.885 0.828 17.829 1.00 0.01 N ATOM 0 H ARG A 157 -14.187 -1.616 11.845 1.00 0.01 H new ATOM 0 HA ARG A 157 -16.964 -1.887 10.836 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -17.429 -1.005 13.224 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -16.640 -2.567 13.140 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -14.443 -1.571 13.561 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -15.080 0.052 13.375 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -16.636 -0.419 15.357 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -15.791 -1.937 15.590 1.00 0.00 H new ATOM 0 HE ARG A 157 -13.701 -0.045 15.519 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -16.719 -0.490 17.233 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -16.150 0.322 18.695 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -12.980 0.992 17.387 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -14.054 1.152 18.781 1.00 0.01 H new ATOM 2519 N LYS A 158 -15.414 0.973 11.079 1.00 0.01 N ATOM 2520 CA LYS A 158 -15.566 2.428 10.743 1.00 0.01 C ATOM 2521 C LYS A 158 -14.602 2.769 9.596 1.00 0.01 C ATOM 2522 O LYS A 158 -13.572 2.144 9.468 1.00 0.01 O ATOM 2523 CB LYS A 158 -15.199 3.259 11.981 1.00 0.58 C ATOM 2524 CG LYS A 158 -16.375 3.264 12.960 1.00 0.97 C ATOM 2525 CD LYS A 158 -15.988 4.038 14.221 1.00 1.44 C ATOM 2526 CE LYS A 158 -17.243 4.351 15.035 1.00 2.13 C ATOM 2527 NZ LYS A 158 -16.856 5.016 16.311 1.00 2.54 N ATOM 0 H LYS A 158 -14.461 0.677 11.290 1.00 0.01 H new ATOM 0 HA LYS A 158 -16.591 2.646 10.443 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -14.314 2.843 12.462 1.00 0.58 H new ATOM 0 HB3 LYS A 158 -14.952 4.279 11.687 1.00 0.58 H new ATOM 0 HG2 LYS A 158 -17.248 3.721 12.494 1.00 0.97 H new ATOM 0 HG3 LYS A 158 -16.651 2.242 13.219 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -15.290 3.452 14.820 1.00 1.44 H new ATOM 0 HD3 LYS A 158 -15.478 4.962 13.950 1.00 1.44 H new ATOM 0 HE2 LYS A 158 -17.908 4.998 14.463 1.00 2.13 H new ATOM 0 HE3 LYS A 158 -17.792 3.433 15.243 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 -17.710 5.229 16.865 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 -16.237 4.384 16.858 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 -16.350 5.900 16.102 1.00 2.54 H new ATOM 2541 N PRO A 159 -14.892 3.761 8.783 1.00 0.01 N ATOM 2542 CA PRO A 159 -13.955 4.127 7.683 1.00 0.02 C ATOM 2543 C PRO A 159 -12.592 4.534 8.255 1.00 0.01 C ATOM 2544 O PRO A 159 -11.559 4.166 7.729 1.00 0.01 O ATOM 2545 CB PRO A 159 -14.679 5.302 7.002 1.00 0.41 C ATOM 2546 CG PRO A 159 -15.866 5.714 7.894 1.00 0.70 C ATOM 2547 CD PRO A 159 -16.135 4.573 8.888 1.00 0.28 C ATOM 0 HA PRO A 159 -13.737 3.315 6.990 1.00 0.02 H new ATOM 0 HB2 PRO A 159 -13.997 6.141 6.864 1.00 0.41 H new ATOM 0 HB3 PRO A 159 -15.030 5.011 6.012 1.00 0.41 H new ATOM 0 HG2 PRO A 159 -15.639 6.637 8.427 1.00 0.70 H new ATOM 0 HG3 PRO A 159 -16.750 5.906 7.286 1.00 0.70 H new ATOM 0 HD2 PRO A 159 -16.294 4.945 9.900 1.00 0.28 H new ATOM 0 HD3 PRO A 159 -17.020 3.998 8.617 1.00 0.28 H new ATOM 2555 N VAL A 160 -12.564 5.291 9.314 1.00 0.01 N ATOM 2556 CA VAL A 160 -11.253 5.695 9.885 1.00 0.02 C ATOM 2557 C VAL A 160 -10.491 4.432 10.288 1.00 0.02 C ATOM 2558 O VAL A 160 -9.282 4.437 10.402 1.00 0.02 O ATOM 2559 CB VAL A 160 -11.485 6.577 11.114 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -10.150 7.140 11.601 1.00 0.86 C ATOM 2561 CG2 VAL A 160 -12.418 7.731 10.741 1.00 0.74 C ATOM 0 H VAL A 160 -13.385 5.645 9.805 1.00 0.01 H new ATOM 0 HA VAL A 160 -10.676 6.257 9.150 1.00 0.02 H new ATOM 0 HB VAL A 160 -11.937 5.982 11.907 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -10.317 7.768 12.476 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -9.484 6.319 11.865 1.00 0.86 H new ATOM 0 HG13 VAL A 160 -9.696 7.735 10.809 1.00 0.86 H new ATOM 0 HG21 VAL A 160 -12.585 8.361 11.615 1.00 0.74 H new ATOM 0 HG22 VAL A 160 -11.964 8.324 9.947 1.00 0.74 H new ATOM 0 HG23 VAL A 160 -13.371 7.331 10.395 1.00 0.74 H new ATOM 2571 N ASP A 161 -11.183 3.342 10.488 1.00 0.00 N ATOM 2572 CA ASP A 161 -10.471 2.090 10.862 1.00 0.01 C ATOM 2573 C ASP A 161 -9.597 1.635 9.687 1.00 0.01 C ATOM 2574 O ASP A 161 -8.705 0.824 9.836 1.00 0.01 O ATOM 2575 CB ASP A 161 -11.490 0.994 11.190 1.00 0.00 C ATOM 2576 CG ASP A 161 -10.783 -0.169 11.889 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -9.570 -0.246 11.785 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -11.467 -0.963 12.514 1.00 0.00 O ATOM 0 H ASP A 161 -12.197 3.266 10.410 1.00 0.00 H new ATOM 0 HA ASP A 161 -9.847 2.276 11.736 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -12.276 1.394 11.831 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -11.971 0.645 10.276 1.00 0.00 H new ATOM 2583 N TRP A 162 -9.850 2.169 8.516 1.00 0.01 N ATOM 2584 CA TRP A 162 -9.047 1.800 7.311 1.00 0.01 C ATOM 2585 C TRP A 162 -7.900 2.813 7.180 1.00 0.01 C ATOM 2586 O TRP A 162 -7.172 2.805 6.207 1.00 0.01 O ATOM 2587 CB TRP A 162 -9.955 1.938 6.052 1.00 0.01 C ATOM 2588 CG TRP A 162 -10.060 0.677 5.242 1.00 0.02 C ATOM 2589 CD1 TRP A 162 -9.097 -0.264 5.070 1.00 0.01 C ATOM 2590 CD2 TRP A 162 -11.197 0.242 4.443 1.00 0.01 C ATOM 2591 NE1 TRP A 162 -9.589 -1.252 4.233 1.00 0.01 N ATOM 2592 CE2 TRP A 162 -10.878 -0.983 3.819 1.00 0.01 C ATOM 2593 CE3 TRP A 162 -12.471 0.791 4.212 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 -11.788 -1.641 2.988 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 -13.388 0.133 3.378 1.00 0.01 C ATOM 2596 CH2 TRP A 162 -13.048 -1.081 2.768 1.00 0.01 C ATOM 0 H TRP A 162 -10.587 2.852 8.344 1.00 0.01 H new ATOM 0 HA TRP A 162 -8.665 0.783 7.400 1.00 0.01 H new ATOM 0 HB2 TRP A 162 -10.954 2.241 6.367 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -9.564 2.735 5.419 1.00 0.01 H new ATOM 0 HD1 TRP A 162 -8.112 -0.245 5.512 1.00 0.01 H new ATOM 0 HE1 TRP A 162 -9.062 -2.080 3.956 1.00 0.01 H new ATOM 0 HE3 TRP A 162 -12.745 1.725 4.679 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 -11.519 -2.576 2.519 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 -14.362 0.566 3.205 1.00 0.01 H new ATOM 0 HH2 TRP A 162 -13.759 -1.583 2.129 1.00 0.01 H new ATOM 2607 N GLY A 163 -7.716 3.675 8.139 1.00 0.02 N ATOM 2608 CA GLY A 163 -6.605 4.657 8.036 1.00 0.01 C ATOM 2609 C GLY A 163 -6.994 5.764 7.054 1.00 0.01 C ATOM 2610 O GLY A 163 -6.181 6.572 6.652 1.00 0.01 O ATOM 0 H GLY A 163 -8.283 3.742 8.984 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -6.390 5.084 9.016 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -5.696 4.160 7.699 1.00 0.01 H new ATOM 2614 N ALA A 164 -8.237 5.778 6.643 1.00 0.01 N ATOM 2615 CA ALA A 164 -8.703 6.800 5.656 1.00 0.02 C ATOM 2616 C ALA A 164 -9.421 7.938 6.377 1.00 0.01 C ATOM 2617 O ALA A 164 -10.145 7.736 7.332 1.00 0.02 O ATOM 2618 CB ALA A 164 -9.700 6.139 4.704 1.00 0.01 C ATOM 0 H ALA A 164 -8.954 5.121 6.951 1.00 0.01 H new ATOM 0 HA ALA A 164 -7.842 7.193 5.115 1.00 0.02 H new ATOM 0 HB1 ALA A 164 -10.050 6.872 3.977 1.00 0.01 H new ATOM 0 HB2 ALA A 164 -9.214 5.315 4.183 1.00 0.01 H new ATOM 0 HB3 ALA A 164 -10.549 5.758 5.273 1.00 0.01 H new ATOM 2624 N ALA A 165 -9.224 9.139 5.908 1.00 0.02 N ATOM 2625 CA ALA A 165 -9.886 10.315 6.534 1.00 0.01 C ATOM 2626 C ALA A 165 -11.296 10.472 5.964 1.00 0.02 C ATOM 2627 O ALA A 165 -12.081 11.264 6.448 1.00 0.01 O ATOM 2628 CB ALA A 165 -9.081 11.582 6.238 1.00 0.59 C ATOM 0 H ALA A 165 -8.627 9.357 5.110 1.00 0.02 H new ATOM 0 HA ALA A 165 -9.939 10.162 7.612 1.00 0.01 H new ATOM 0 HB1 ALA A 165 -9.570 12.440 6.699 1.00 0.59 H new ATOM 0 HB2 ALA A 165 -8.075 11.477 6.644 1.00 0.59 H new ATOM 0 HB3 ALA A 165 -9.023 11.733 5.160 1.00 0.59 H new ATOM 2634 N SER A 166 -11.640 9.715 4.952 1.00 0.01 N ATOM 2635 CA SER A 166 -13.011 9.805 4.364 1.00 0.01 C ATOM 2636 C SER A 166 -13.442 8.392 3.923 1.00 0.02 C ATOM 2637 O SER A 166 -12.602 7.584 3.578 1.00 0.01 O ATOM 2638 CB SER A 166 -12.980 10.731 3.145 1.00 0.72 C ATOM 2639 OG SER A 166 -14.036 10.381 2.261 1.00 0.87 O ATOM 0 H SER A 166 -11.025 9.034 4.505 1.00 0.01 H new ATOM 0 HA SER A 166 -13.712 10.201 5.098 1.00 0.01 H new ATOM 0 HB2 SER A 166 -13.084 11.769 3.460 1.00 0.72 H new ATOM 0 HB3 SER A 166 -12.021 10.647 2.635 1.00 0.72 H new ATOM 0 HG SER A 166 -14.019 10.974 1.481 1.00 0.87 H new ATOM 2645 N PRO A 167 -14.721 8.074 3.915 1.00 0.02 N ATOM 2646 CA PRO A 167 -15.169 6.714 3.481 1.00 0.01 C ATOM 2647 C PRO A 167 -15.110 6.538 1.956 1.00 0.01 C ATOM 2648 O PRO A 167 -15.811 5.716 1.393 1.00 0.01 O ATOM 2649 CB PRO A 167 -16.627 6.701 3.968 1.00 0.38 C ATOM 2650 CG PRO A 167 -17.073 8.163 4.108 1.00 0.35 C ATOM 2651 CD PRO A 167 -15.811 9.009 4.337 1.00 0.22 C ATOM 0 HA PRO A 167 -14.545 5.911 3.875 1.00 0.01 H new ATOM 0 HB2 PRO A 167 -17.264 6.171 3.260 1.00 0.38 H new ATOM 0 HB3 PRO A 167 -16.709 6.181 4.922 1.00 0.38 H new ATOM 0 HG2 PRO A 167 -17.598 8.492 3.211 1.00 0.35 H new ATOM 0 HG3 PRO A 167 -17.766 8.275 4.942 1.00 0.35 H new ATOM 0 HD2 PRO A 167 -15.819 9.921 3.740 1.00 0.22 H new ATOM 0 HD3 PRO A 167 -15.707 9.311 5.379 1.00 0.22 H new ATOM 2659 N ALA A 168 -14.316 7.322 1.276 1.00 0.01 N ATOM 2660 CA ALA A 168 -14.271 7.206 -0.212 1.00 0.01 C ATOM 2661 C ALA A 168 -13.322 6.089 -0.668 1.00 0.01 C ATOM 2662 O ALA A 168 -12.141 6.081 -0.386 1.00 0.02 O ATOM 2663 CB ALA A 168 -13.794 8.534 -0.805 1.00 0.18 C ATOM 0 H ALA A 168 -13.703 8.030 1.680 1.00 0.01 H new ATOM 0 HA ALA A 168 -15.275 6.963 -0.560 1.00 0.01 H new ATOM 0 HB1 ALA A 168 -13.759 8.456 -1.892 1.00 0.18 H new ATOM 0 HB2 ALA A 168 -14.484 9.328 -0.521 1.00 0.18 H new ATOM 0 HB3 ALA A 168 -12.799 8.765 -0.426 1.00 0.18 H new ATOM 2669 N ILE A 169 -13.875 5.163 -1.407 1.00 0.01 N ATOM 2670 CA ILE A 169 -13.101 4.009 -1.968 1.00 0.01 C ATOM 2671 C ILE A 169 -13.667 3.762 -3.367 1.00 0.01 C ATOM 2672 O ILE A 169 -14.865 3.630 -3.525 1.00 0.01 O ATOM 2673 CB ILE A 169 -13.313 2.747 -1.104 1.00 1.81 C ATOM 2674 CG1 ILE A 169 -13.153 3.056 0.400 1.00 2.75 C ATOM 2675 CG2 ILE A 169 -12.310 1.668 -1.514 1.00 2.24 C ATOM 2676 CD1 ILE A 169 -11.678 3.277 0.766 1.00 3.99 C ATOM 0 H ILE A 169 -14.865 5.157 -1.654 1.00 0.01 H new ATOM 0 HA ILE A 169 -12.033 4.227 -1.988 1.00 0.01 H new ATOM 0 HB ILE A 169 -14.330 2.393 -1.270 1.00 1.81 H new ATOM 0 HG12 ILE A 169 -13.731 3.944 0.655 1.00 2.75 H new ATOM 0 HG13 ILE A 169 -13.557 2.232 0.989 1.00 2.75 H new ATOM 0 HG21 ILE A 169 -12.462 0.779 -0.902 1.00 2.24 H new ATOM 0 HG22 ILE A 169 -12.456 1.416 -2.564 1.00 2.24 H new ATOM 0 HG23 ILE A 169 -11.296 2.040 -1.368 1.00 2.24 H new ATOM 0 HD11 ILE A 169 -11.596 3.493 1.831 1.00 3.99 H new ATOM 0 HD12 ILE A 169 -11.107 2.379 0.533 1.00 3.99 H new ATOM 0 HD13 ILE A 169 -11.283 4.117 0.194 1.00 3.99 H new ATOM 2688 N GLN A 170 -12.840 3.747 -4.397 1.00 0.01 N ATOM 2689 CA GLN A 170 -13.364 3.563 -5.794 1.00 0.01 C ATOM 2690 C GLN A 170 -12.935 2.228 -6.421 1.00 0.02 C ATOM 2691 O GLN A 170 -13.589 1.762 -7.332 1.00 0.01 O ATOM 2692 CB GLN A 170 -12.868 4.721 -6.670 1.00 2.62 C ATOM 2693 CG GLN A 170 -13.670 5.992 -6.355 1.00 3.39 C ATOM 2694 CD GLN A 170 -13.669 6.247 -4.844 1.00 4.36 C ATOM 2695 OE1 GLN A 170 -12.645 6.151 -4.199 1.00 4.83 O ATOM 2696 NE2 GLN A 170 -14.784 6.572 -4.251 1.00 5.17 N ATOM 0 H GLN A 170 -11.828 3.854 -4.328 1.00 0.01 H new ATOM 0 HA GLN A 170 -14.452 3.554 -5.737 1.00 0.01 H new ATOM 0 HB2 GLN A 170 -11.807 4.896 -6.491 1.00 2.62 H new ATOM 0 HB3 GLN A 170 -12.976 4.464 -7.724 1.00 2.62 H new ATOM 0 HG2 GLN A 170 -13.236 6.845 -6.877 1.00 3.39 H new ATOM 0 HG3 GLN A 170 -14.694 5.885 -6.714 1.00 3.39 H new ATOM 0 HE21 GLN A 170 -15.645 6.653 -4.792 1.00 5.17 H new ATOM 0 HE22 GLN A 170 -14.795 6.745 -3.246 1.00 5.17 H new ATOM 2705 N SER A 171 -11.884 1.577 -5.987 1.00 0.01 N ATOM 2706 CA SER A 171 -11.532 0.276 -6.651 1.00 0.01 C ATOM 2707 C SER A 171 -10.704 -0.593 -5.698 1.00 0.01 C ATOM 2708 O SER A 171 -10.089 -0.107 -4.772 1.00 0.01 O ATOM 2709 CB SER A 171 -10.721 0.561 -7.915 1.00 0.01 C ATOM 2710 OG SER A 171 -10.452 -0.663 -8.584 1.00 0.02 O ATOM 0 H SER A 171 -11.271 1.874 -5.228 1.00 0.01 H new ATOM 0 HA SER A 171 -12.448 -0.255 -6.910 1.00 0.01 H new ATOM 0 HB2 SER A 171 -11.273 1.234 -8.571 1.00 0.01 H new ATOM 0 HB3 SER A 171 -9.787 1.061 -7.657 1.00 0.01 H new ATOM 0 HG SER A 171 -9.711 -0.536 -9.212 1.00 0.02 H new ATOM 2716 N PHE A 172 -10.659 -1.886 -5.938 1.00 0.01 N ATOM 2717 CA PHE A 172 -9.837 -2.774 -5.057 1.00 0.01 C ATOM 2718 C PHE A 172 -9.370 -4.017 -5.822 1.00 0.01 C ATOM 2719 O PHE A 172 -9.988 -4.441 -6.779 1.00 0.01 O ATOM 2720 CB PHE A 172 -10.622 -3.184 -3.800 1.00 1.06 C ATOM 2721 CG PHE A 172 -12.024 -3.647 -4.139 1.00 0.75 C ATOM 2722 CD1 PHE A 172 -12.225 -4.867 -4.800 1.00 0.75 C ATOM 2723 CD2 PHE A 172 -13.130 -2.870 -3.763 1.00 1.29 C ATOM 2724 CE1 PHE A 172 -13.524 -5.303 -5.087 1.00 1.16 C ATOM 2725 CE2 PHE A 172 -14.427 -3.310 -4.046 1.00 2.02 C ATOM 2726 CZ PHE A 172 -14.625 -4.525 -4.709 1.00 1.92 C ATOM 0 H PHE A 172 -11.151 -2.358 -6.697 1.00 0.01 H new ATOM 0 HA PHE A 172 -8.959 -2.210 -4.743 1.00 0.01 H new ATOM 0 HB2 PHE A 172 -10.090 -3.983 -3.284 1.00 1.06 H new ATOM 0 HB3 PHE A 172 -10.674 -2.340 -3.112 1.00 1.06 H new ATOM 0 HD1 PHE A 172 -11.377 -5.471 -5.088 1.00 0.75 H new ATOM 0 HD2 PHE A 172 -12.979 -1.930 -3.254 1.00 1.29 H new ATOM 0 HE1 PHE A 172 -13.677 -6.241 -5.601 1.00 1.16 H new ATOM 0 HE2 PHE A 172 -15.276 -2.711 -3.752 1.00 2.02 H new ATOM 0 HZ PHE A 172 -15.627 -4.863 -4.929 1.00 1.92 H new ATOM 2736 N ARG A 173 -8.268 -4.601 -5.410 1.00 0.01 N ATOM 2737 CA ARG A 173 -7.740 -5.810 -6.119 1.00 0.01 C ATOM 2738 C ARG A 173 -7.082 -6.770 -5.123 1.00 0.01 C ATOM 2739 O ARG A 173 -6.569 -6.372 -4.096 1.00 0.01 O ATOM 2740 CB ARG A 173 -6.674 -5.389 -7.135 1.00 0.01 C ATOM 2741 CG ARG A 173 -7.286 -4.490 -8.219 1.00 0.01 C ATOM 2742 CD ARG A 173 -6.414 -4.545 -9.482 1.00 0.01 C ATOM 2743 NE ARG A 173 -4.984 -4.690 -9.092 1.00 0.01 N ATOM 2744 CZ ARG A 173 -4.100 -5.064 -9.977 1.00 0.01 C ATOM 2745 NH1 ARG A 173 -4.469 -5.307 -11.205 1.00 0.01 N ATOM 2746 NH2 ARG A 173 -2.847 -5.196 -9.635 1.00 0.01 N ATOM 0 H ARG A 173 -7.712 -4.292 -4.613 1.00 0.01 H new ATOM 0 HA ARG A 173 -8.576 -6.302 -6.617 1.00 0.01 H new ATOM 0 HB2 ARG A 173 -5.869 -4.858 -6.627 1.00 0.01 H new ATOM 0 HB3 ARG A 173 -6.233 -6.273 -7.595 1.00 0.01 H new ATOM 0 HG2 ARG A 173 -8.300 -4.818 -8.449 1.00 0.01 H new ATOM 0 HG3 ARG A 173 -7.358 -3.464 -7.858 1.00 0.01 H new ATOM 0 HD2 ARG A 173 -6.717 -5.383 -10.110 1.00 0.01 H new ATOM 0 HD3 ARG A 173 -6.551 -3.638 -10.071 1.00 0.01 H new ATOM 0 HE ARG A 173 -4.695 -4.497 -8.133 1.00 0.01 H new ATOM 0 HH11 ARG A 173 -5.448 -5.205 -11.473 1.00 0.01 H new ATOM 0 HH12 ARG A 173 -3.779 -5.599 -11.897 1.00 0.01 H new ATOM 0 HH21 ARG A 173 -2.558 -5.007 -8.675 1.00 0.01 H new ATOM 0 HH22 ARG A 173 -2.157 -5.488 -10.327 1.00 0.01 H new ATOM 2760 N ARG A 174 -7.087 -8.037 -5.439 1.00 0.01 N ATOM 2761 CA ARG A 174 -6.457 -9.050 -4.542 1.00 0.01 C ATOM 2762 C ARG A 174 -4.971 -9.192 -4.898 1.00 0.01 C ATOM 2763 O ARG A 174 -4.597 -9.157 -6.053 1.00 0.01 O ATOM 2764 CB ARG A 174 -7.144 -10.405 -4.734 1.00 0.01 C ATOM 2765 CG ARG A 174 -7.007 -10.845 -6.193 1.00 0.01 C ATOM 2766 CD ARG A 174 -7.904 -12.059 -6.448 1.00 0.01 C ATOM 2767 NE ARG A 174 -7.719 -12.526 -7.851 1.00 0.01 N ATOM 2768 CZ ARG A 174 -8.147 -13.706 -8.207 1.00 0.01 C ATOM 2769 NH1 ARG A 174 -8.735 -14.477 -7.335 1.00 0.01 N ATOM 2770 NH2 ARG A 174 -7.986 -14.117 -9.434 1.00 0.01 N ATOM 0 H ARG A 174 -7.505 -8.418 -6.288 1.00 0.01 H new ATOM 0 HA ARG A 174 -6.562 -8.727 -3.506 1.00 0.01 H new ATOM 0 HB2 ARG A 174 -6.695 -11.149 -4.075 1.00 0.01 H new ATOM 0 HB3 ARG A 174 -8.197 -10.332 -4.462 1.00 0.01 H new ATOM 0 HG2 ARG A 174 -7.286 -10.028 -6.858 1.00 0.01 H new ATOM 0 HG3 ARG A 174 -5.969 -11.094 -6.413 1.00 0.01 H new ATOM 0 HD2 ARG A 174 -7.657 -12.860 -5.751 1.00 0.01 H new ATOM 0 HD3 ARG A 174 -8.948 -11.796 -6.275 1.00 0.01 H new ATOM 0 HE ARG A 174 -7.258 -11.923 -8.533 1.00 0.01 H new ATOM 0 HH11 ARG A 174 -8.860 -14.158 -6.374 1.00 0.01 H new ATOM 0 HH12 ARG A 174 -9.070 -15.399 -7.614 1.00 0.01 H new ATOM 0 HH21 ARG A 174 -7.525 -13.516 -10.117 1.00 0.01 H new ATOM 0 HH22 ARG A 174 -8.321 -15.040 -9.711 1.00 0.01 H new ATOM 2784 N ILE A 175 -4.124 -9.378 -3.915 1.00 0.01 N ATOM 2785 CA ILE A 175 -2.665 -9.550 -4.216 1.00 0.01 C ATOM 2786 C ILE A 175 -2.360 -11.041 -4.366 1.00 0.00 C ATOM 2787 O ILE A 175 -2.705 -11.836 -3.515 1.00 0.01 O ATOM 2788 CB ILE A 175 -1.792 -8.985 -3.086 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -2.266 -7.581 -2.699 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -0.340 -8.914 -3.569 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -1.278 -6.966 -1.695 1.00 3.04 C ATOM 0 H ILE A 175 -4.374 -9.418 -2.927 1.00 0.01 H new ATOM 0 HA ILE A 175 -2.440 -9.010 -5.136 1.00 0.01 H new ATOM 0 HB ILE A 175 -1.868 -9.635 -2.214 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -2.338 -6.952 -3.586 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -3.263 -7.630 -2.261 1.00 2.51 H new ATOM 0 HG21 ILE A 175 0.289 -8.514 -2.774 1.00 1.75 H new ATOM 0 HG22 ILE A 175 0.004 -9.913 -3.836 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -0.278 -8.264 -4.442 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.615 -5.967 -1.419 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -1.229 -7.591 -0.804 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -0.289 -6.903 -2.149 1.00 3.04 H new ATOM 2803 N VAL A 176 -1.720 -11.431 -5.441 1.00 0.01 N ATOM 2804 CA VAL A 176 -1.391 -12.878 -5.648 1.00 0.00 C ATOM 2805 C VAL A 176 0.049 -13.009 -6.150 1.00 0.01 C ATOM 2806 O VAL A 176 0.543 -12.167 -6.874 1.00 0.00 O ATOM 2807 CB VAL A 176 -2.334 -13.473 -6.695 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -2.248 -12.654 -7.984 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -1.930 -14.921 -6.983 1.00 1.89 C ATOM 0 H VAL A 176 -1.410 -10.808 -6.187 1.00 0.01 H new ATOM 0 HA VAL A 176 -1.504 -13.409 -4.703 1.00 0.00 H new ATOM 0 HB VAL A 176 -3.356 -13.449 -6.317 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -2.920 -13.078 -8.730 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -2.537 -11.623 -7.780 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -1.226 -12.677 -8.362 1.00 1.88 H new ATOM 0 HG21 VAL A 176 -2.602 -15.345 -7.729 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -0.908 -14.945 -7.360 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -1.992 -15.506 -6.065 1.00 1.89 H new ATOM 2819 N GLU A 177 0.726 -14.060 -5.770 1.00 0.01 N ATOM 2820 CA GLU A 177 2.135 -14.252 -6.221 1.00 0.01 C ATOM 2821 C GLU A 177 2.917 -12.948 -6.037 1.00 0.01 C ATOM 2822 CB GLU A 177 2.147 -14.652 -7.698 1.00 2.15 C ATOM 2823 CG GLU A 177 1.718 -16.115 -7.838 1.00 3.19 C ATOM 2824 CD GLU A 177 1.374 -16.410 -9.300 1.00 4.20 C ATOM 2825 OE1 GLU A 177 1.754 -15.618 -10.147 1.00 4.77 O ATOM 2826 OE2 GLU A 177 0.736 -17.421 -9.547 1.00 4.89 O ATOM 0 H GLU A 177 0.362 -14.796 -5.165 1.00 0.01 H new ATOM 0 HA GLU A 177 2.601 -15.038 -5.627 1.00 0.01 H new ATOM 0 HB2 GLU A 177 1.473 -14.009 -8.265 1.00 2.15 H new ATOM 0 HB3 GLU A 177 3.145 -14.514 -8.114 1.00 2.15 H new ATOM 0 HG2 GLU A 177 2.519 -16.773 -7.502 1.00 3.19 H new ATOM 0 HG3 GLU A 177 0.855 -16.314 -7.203 1.00 3.19 H new