USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1011 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 25 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.054) USER MOD Set 1.2: A 111 HIS :FLIP no HD1:sc= -0.329 F(o=-0.84,f=-0.33) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 15 MET CE :methyl -156:sc= -0.0182 (180deg=-0.493) USER MOD Single : A 26 ASN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 29 SER OG : rot -53:sc= 0.43 USER MOD Single : A 30 GLN : amide:sc= -0.425 X(o=-0.43,f=-0.29) USER MOD Single : A 36 TYR OH : rot 141:sc= -2.12 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -4.68! X(o=-4.7!,f=-4.8) USER MOD Single : A 46 THR OG1 : rot 76:sc= 0.337 USER MOD Single : A 49 LYS NZ :NH3+ -167:sc= -0.0945 (180deg=-0.431) USER MOD Single : A 53 SER OG : rot -51:sc= 1.28 USER MOD Single : A 60 SER OG : rot -38:sc= 0.577 USER MOD Single : A 63 SER OG : rot 66:sc= 0.0616 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0238 USER MOD Single : A 72 THR OG1 : rot 86:sc= 1.24 USER MOD Single : A 73 GLN : amide:sc= -2.4 K(o=-2.4,f=-3.7!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN :FLIP amide:sc= -0.0239 F(o=-1.1,f=-0.024) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl -151:sc= -1.67 (180deg=-1.87!) USER MOD Single : A 91 GLN : amide:sc= -2.33 K(o=-2.3,f=-4.1!) USER MOD Single : A 92 GLN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ -108:sc= -0.364 (180deg=-0.761) USER MOD Single : A 105 GLN : amide:sc= -0.62 X(o=-0.62,f=-0.33) USER MOD Single : A 106 MET CE :methyl 158:sc= -0.744 (180deg=-1.29) USER MOD Single : A 108 THR OG1 : rot 82:sc= 1.28 USER MOD Single : A 110 SER OG : rot -53:sc= 0.869 USER MOD Single : A 112 THR OG1 : rot -160:sc= -0.544 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= -1.23 X(o=-1.2,f=-1.7!) USER MOD Single : A 126 GLN : amide:sc= -0.0167 X(o=-0.017,f=-0.017) USER MOD Single : A 128 LYS NZ :NH3+ -110:sc= -1.04 (180deg=-2.51!) USER MOD ----------------------------------------------------------------- ATOM 106 N ASP A 8 17.193 -9.959 -9.206 1.00 44.22 N ATOM 107 CA ASP A 8 18.208 -10.829 -9.790 1.00 35.45 C ATOM 108 C ASP A 8 17.572 -11.851 -10.727 1.00 63.33 C ATOM 109 O ASP A 8 16.676 -12.599 -10.333 1.00 3.11 O ATOM 110 CB ASP A 8 18.989 -11.546 -8.688 1.00 25.51 C ATOM 111 CG ASP A 8 19.190 -10.678 -7.462 1.00 24.25 C ATOM 112 OD1 ASP A 8 20.066 -9.789 -7.501 1.00 3.40 O ATOM 113 OD2 ASP A 8 18.471 -10.888 -6.463 1.00 3.35 O ATOM 0 HA ASP A 8 18.895 -10.210 -10.368 1.00 35.45 H new ATOM 0 HB2 ASP A 8 18.459 -12.455 -8.403 1.00 25.51 H new ATOM 0 HB3 ASP A 8 19.961 -11.852 -9.076 1.00 25.51 H new ATOM 118 N LEU A 9 18.041 -11.877 -11.970 1.00 72.50 N ATOM 119 CA LEU A 9 17.518 -12.807 -12.965 1.00 60.13 C ATOM 120 C LEU A 9 17.707 -14.252 -12.514 1.00 5.33 C ATOM 121 O LEU A 9 17.015 -15.156 -12.982 1.00 43.41 O ATOM 122 CB LEU A 9 18.211 -12.587 -14.311 1.00 55.43 C ATOM 123 CG LEU A 9 19.596 -13.215 -14.464 1.00 70.23 C ATOM 124 CD1 LEU A 9 20.069 -13.120 -15.907 1.00 31.24 C ATOM 125 CD2 LEU A 9 20.592 -12.545 -13.529 1.00 50.13 C ATOM 0 H LEU A 9 18.782 -11.265 -12.313 1.00 72.50 H new ATOM 0 HA LEU A 9 16.450 -12.618 -13.077 1.00 60.13 H new ATOM 0 HB2 LEU A 9 17.567 -12.981 -15.097 1.00 55.43 H new ATOM 0 HB3 LEU A 9 18.300 -11.514 -14.480 1.00 55.43 H new ATOM 0 HG LEU A 9 19.528 -14.269 -14.194 1.00 70.23 H new ATOM 0 HD11 LEU A 9 21.057 -13.572 -15.997 1.00 31.24 H new ATOM 0 HD12 LEU A 9 19.369 -13.647 -16.555 1.00 31.24 H new ATOM 0 HD13 LEU A 9 20.121 -12.073 -16.205 1.00 31.24 H new ATOM 0 HD21 LEU A 9 21.573 -13.005 -13.652 1.00 50.13 H new ATOM 0 HD22 LEU A 9 20.657 -11.483 -13.767 1.00 50.13 H new ATOM 0 HD23 LEU A 9 20.261 -12.666 -12.498 1.00 50.13 H new ATOM 137 N VAL A 10 18.649 -14.462 -11.599 1.00 13.31 N ATOM 138 CA VAL A 10 18.927 -15.796 -11.081 1.00 3.21 C ATOM 139 C VAL A 10 17.687 -16.406 -10.438 1.00 53.20 C ATOM 140 O VAL A 10 17.396 -17.588 -10.623 1.00 4.00 O ATOM 141 CB VAL A 10 20.068 -15.769 -10.046 1.00 71.42 C ATOM 142 CG1 VAL A 10 20.325 -17.165 -9.499 1.00 20.12 C ATOM 143 CG2 VAL A 10 21.332 -15.188 -10.662 1.00 13.02 C ATOM 0 H VAL A 10 19.232 -13.725 -11.202 1.00 13.31 H new ATOM 0 HA VAL A 10 19.230 -16.408 -11.930 1.00 3.21 H new ATOM 0 HB VAL A 10 19.768 -15.129 -9.216 1.00 71.42 H new ATOM 0 HG11 VAL A 10 21.134 -17.127 -8.769 1.00 20.12 H new ATOM 0 HG12 VAL A 10 19.421 -17.540 -9.019 1.00 20.12 H new ATOM 0 HG13 VAL A 10 20.604 -17.830 -10.316 1.00 20.12 H new ATOM 0 HG21 VAL A 10 22.128 -15.176 -9.917 1.00 13.02 H new ATOM 0 HG22 VAL A 10 21.638 -15.800 -11.510 1.00 13.02 H new ATOM 0 HG23 VAL A 10 21.137 -14.170 -11.001 1.00 13.02 H new ATOM 153 N TYR A 11 16.958 -15.592 -9.683 1.00 11.23 N ATOM 154 CA TYR A 11 15.749 -16.052 -9.010 1.00 54.51 C ATOM 155 C TYR A 11 14.583 -16.145 -9.990 1.00 33.44 C ATOM 156 O TYR A 11 13.582 -16.811 -9.720 1.00 14.50 O ATOM 157 CB TYR A 11 15.389 -15.108 -7.861 1.00 21.31 C ATOM 158 CG TYR A 11 13.954 -14.633 -7.894 1.00 30.32 C ATOM 159 CD1 TYR A 11 12.944 -15.369 -7.287 1.00 73.23 C ATOM 160 CD2 TYR A 11 13.609 -13.448 -8.531 1.00 13.42 C ATOM 161 CE1 TYR A 11 11.631 -14.939 -7.316 1.00 22.23 C ATOM 162 CE2 TYR A 11 12.299 -13.009 -8.563 1.00 30.11 C ATOM 163 CZ TYR A 11 11.314 -13.759 -7.954 1.00 51.44 C ATOM 164 OH TYR A 11 10.008 -13.326 -7.984 1.00 31.23 O ATOM 0 H TYR A 11 17.183 -14.610 -9.522 1.00 11.23 H new ATOM 0 HA TYR A 11 15.943 -17.046 -8.608 1.00 54.51 H new ATOM 0 HB2 TYR A 11 15.573 -15.615 -6.914 1.00 21.31 H new ATOM 0 HB3 TYR A 11 16.050 -14.242 -7.893 1.00 21.31 H new ATOM 0 HD1 TYR A 11 13.189 -16.293 -6.784 1.00 73.23 H new ATOM 0 HD2 TYR A 11 14.378 -12.859 -9.010 1.00 13.42 H new ATOM 0 HE1 TYR A 11 10.857 -15.524 -6.841 1.00 22.23 H new ATOM 0 HE2 TYR A 11 12.048 -12.085 -9.062 1.00 30.11 H new ATOM 0 HH TYR A 11 9.956 -12.477 -8.472 1.00 31.23 H new ATOM 174 N LEU A 12 14.720 -15.475 -11.128 1.00 60.13 N ATOM 175 CA LEU A 12 13.679 -15.482 -12.151 1.00 23.25 C ATOM 176 C LEU A 12 13.649 -16.817 -12.887 1.00 71.35 C ATOM 177 O LEU A 12 12.659 -17.159 -13.532 1.00 54.04 O ATOM 178 CB LEU A 12 13.906 -14.343 -13.145 1.00 44.44 C ATOM 179 CG LEU A 12 13.050 -13.092 -12.941 1.00 20.41 C ATOM 180 CD1 LEU A 12 11.571 -13.442 -13.006 1.00 3.21 C ATOM 181 CD2 LEU A 12 13.385 -12.428 -11.614 1.00 0.24 C ATOM 0 H LEU A 12 15.542 -14.920 -11.367 1.00 60.13 H new ATOM 0 HA LEU A 12 12.718 -15.339 -11.658 1.00 23.25 H new ATOM 0 HB2 LEU A 12 14.955 -14.052 -13.100 1.00 44.44 H new ATOM 0 HB3 LEU A 12 13.724 -14.723 -14.150 1.00 44.44 H new ATOM 0 HG LEU A 12 13.272 -12.388 -13.743 1.00 20.41 H new ATOM 0 HD11 LEU A 12 10.977 -12.540 -12.859 1.00 3.21 H new ATOM 0 HD12 LEU A 12 11.342 -13.873 -13.981 1.00 3.21 H new ATOM 0 HD13 LEU A 12 11.333 -14.164 -12.225 1.00 3.21 H new ATOM 0 HD21 LEU A 12 12.767 -11.540 -11.485 1.00 0.24 H new ATOM 0 HD22 LEU A 12 13.192 -13.126 -10.799 1.00 0.24 H new ATOM 0 HD23 LEU A 12 14.437 -12.142 -11.605 1.00 0.24 H new ATOM 193 N ASN A 13 14.740 -17.569 -12.785 1.00 2.01 N ATOM 194 CA ASN A 13 14.838 -18.868 -13.440 1.00 71.14 C ATOM 195 C ASN A 13 14.576 -19.998 -12.450 1.00 34.42 C ATOM 196 O ASN A 13 13.824 -20.930 -12.739 1.00 2.33 O ATOM 197 CB ASN A 13 16.220 -19.040 -14.074 1.00 30.43 C ATOM 198 CG ASN A 13 16.506 -17.992 -15.131 1.00 4.50 C ATOM 199 OD1 ASN A 13 17.439 -17.199 -14.998 1.00 53.31 O ATOM 200 ND2 ASN A 13 15.703 -17.983 -16.188 1.00 50.23 N ATOM 0 H ASN A 13 15.569 -17.301 -12.255 1.00 2.01 H new ATOM 0 HA ASN A 13 14.079 -18.911 -14.221 1.00 71.14 H new ATOM 0 HB2 ASN A 13 16.982 -18.986 -13.297 1.00 30.43 H new ATOM 0 HB3 ASN A 13 16.291 -20.032 -14.521 1.00 30.43 H new ATOM 0 HD21 ASN A 13 15.847 -17.300 -16.932 1.00 50.23 H new ATOM 0 HD22 ASN A 13 14.942 -18.659 -16.256 1.00 50.23 H new ATOM 207 N VAL A 14 15.200 -19.909 -11.280 1.00 21.33 N ATOM 208 CA VAL A 14 15.033 -20.923 -10.245 1.00 43.10 C ATOM 209 C VAL A 14 13.558 -21.187 -9.967 1.00 52.11 C ATOM 210 O VAL A 14 13.176 -22.293 -9.586 1.00 51.02 O ATOM 211 CB VAL A 14 15.725 -20.505 -8.934 1.00 32.34 C ATOM 212 CG1 VAL A 14 17.167 -20.100 -9.196 1.00 22.12 C ATOM 213 CG2 VAL A 14 14.958 -19.375 -8.264 1.00 40.21 C ATOM 0 H VAL A 14 15.826 -19.145 -11.025 1.00 21.33 H new ATOM 0 HA VAL A 14 15.498 -21.836 -10.618 1.00 43.10 H new ATOM 0 HB VAL A 14 15.731 -21.360 -8.258 1.00 32.34 H new ATOM 0 HG11 VAL A 14 17.639 -19.808 -8.258 1.00 22.12 H new ATOM 0 HG12 VAL A 14 17.708 -20.941 -9.628 1.00 22.12 H new ATOM 0 HG13 VAL A 14 17.189 -19.260 -9.890 1.00 22.12 H new ATOM 0 HG21 VAL A 14 15.461 -19.092 -7.339 1.00 40.21 H new ATOM 0 HG22 VAL A 14 14.918 -18.515 -8.933 1.00 40.21 H new ATOM 0 HG23 VAL A 14 13.944 -19.707 -8.039 1.00 40.21 H new ATOM 223 N MET A 15 12.732 -20.163 -10.161 1.00 25.42 N ATOM 224 CA MET A 15 11.297 -20.286 -9.932 1.00 43.45 C ATOM 225 C MET A 15 10.669 -21.254 -10.930 1.00 13.25 C ATOM 226 O MET A 15 9.892 -22.130 -10.551 1.00 62.13 O ATOM 227 CB MET A 15 10.624 -18.916 -10.040 1.00 32.14 C ATOM 228 CG MET A 15 9.438 -18.747 -9.104 1.00 31.22 C ATOM 229 SD MET A 15 8.032 -17.948 -9.901 1.00 70.33 S ATOM 230 CE MET A 15 8.806 -16.469 -10.550 1.00 64.33 C ATOM 0 H MET A 15 13.032 -19.240 -10.476 1.00 25.42 H new ATOM 0 HA MET A 15 11.146 -20.679 -8.927 1.00 43.45 H new ATOM 0 HB2 MET A 15 11.360 -18.141 -9.825 1.00 32.14 H new ATOM 0 HB3 MET A 15 10.291 -18.764 -11.067 1.00 32.14 H new ATOM 0 HG2 MET A 15 9.132 -19.725 -8.731 1.00 31.22 H new ATOM 0 HG3 MET A 15 9.744 -18.158 -8.239 1.00 31.22 H new ATOM 0 HE1 MET A 15 8.053 -15.693 -10.683 1.00 64.33 H new ATOM 0 HE2 MET A 15 9.567 -16.120 -9.852 1.00 64.33 H new ATOM 0 HE3 MET A 15 9.270 -16.693 -11.511 1.00 64.33 H new ATOM 240 N GLU A 16 11.010 -21.089 -12.204 1.00 13.42 N ATOM 241 CA GLU A 16 10.477 -21.948 -13.254 1.00 72.21 C ATOM 242 C GLU A 16 10.684 -23.420 -12.910 1.00 31.33 C ATOM 243 O GLU A 16 9.901 -24.281 -13.315 1.00 13.45 O ATOM 244 CB GLU A 16 11.144 -21.628 -14.593 1.00 54.25 C ATOM 245 CG GLU A 16 10.463 -20.506 -15.359 1.00 41.51 C ATOM 246 CD GLU A 16 8.992 -20.777 -15.607 1.00 11.32 C ATOM 247 OE1 GLU A 16 8.674 -21.824 -16.208 1.00 10.10 O ATOM 248 OE2 GLU A 16 8.158 -19.941 -15.199 1.00 4.14 O ATOM 0 H GLU A 16 11.653 -20.369 -12.534 1.00 13.42 H new ATOM 0 HA GLU A 16 9.407 -21.758 -13.335 1.00 72.21 H new ATOM 0 HB2 GLU A 16 12.184 -21.356 -14.415 1.00 54.25 H new ATOM 0 HB3 GLU A 16 11.150 -22.526 -15.210 1.00 54.25 H new ATOM 0 HG2 GLU A 16 10.568 -19.575 -14.802 1.00 41.51 H new ATOM 0 HG3 GLU A 16 10.968 -20.365 -16.314 1.00 41.51 H new ATOM 255 N LEU A 17 11.744 -23.703 -12.160 1.00 52.14 N ATOM 256 CA LEU A 17 12.056 -25.071 -11.761 1.00 14.10 C ATOM 257 C LEU A 17 11.215 -25.492 -10.560 1.00 22.51 C ATOM 258 O LEU A 17 10.573 -26.543 -10.576 1.00 51.42 O ATOM 259 CB LEU A 17 13.543 -25.199 -11.427 1.00 70.23 C ATOM 260 CG LEU A 17 14.070 -26.623 -11.245 1.00 74.13 C ATOM 261 CD1 LEU A 17 15.571 -26.672 -11.484 1.00 52.40 C ATOM 262 CD2 LEU A 17 13.732 -27.143 -9.856 1.00 34.23 C ATOM 0 H LEU A 17 12.402 -23.003 -11.816 1.00 52.14 H new ATOM 0 HA LEU A 17 11.820 -25.730 -12.596 1.00 14.10 H new ATOM 0 HB2 LEU A 17 14.116 -24.720 -12.221 1.00 70.23 H new ATOM 0 HB3 LEU A 17 13.739 -24.641 -10.511 1.00 70.23 H new ATOM 0 HG LEU A 17 13.585 -27.266 -11.980 1.00 74.13 H new ATOM 0 HD11 LEU A 17 15.928 -27.693 -11.350 1.00 52.40 H new ATOM 0 HD12 LEU A 17 15.789 -26.342 -12.500 1.00 52.40 H new ATOM 0 HD13 LEU A 17 16.074 -26.016 -10.774 1.00 52.40 H new ATOM 0 HD21 LEU A 17 14.115 -28.158 -9.744 1.00 34.23 H new ATOM 0 HD22 LEU A 17 14.189 -26.498 -9.105 1.00 34.23 H new ATOM 0 HD23 LEU A 17 12.650 -27.146 -9.722 1.00 34.23 H new ATOM 274 N VAL A 18 11.222 -24.665 -9.519 1.00 65.34 N ATOM 275 CA VAL A 18 10.458 -24.950 -8.311 1.00 23.42 C ATOM 276 C VAL A 18 8.984 -25.167 -8.631 1.00 73.44 C ATOM 277 O VAL A 18 8.263 -25.819 -7.876 1.00 21.34 O ATOM 278 CB VAL A 18 10.587 -23.810 -7.284 1.00 14.14 C ATOM 279 CG1 VAL A 18 9.784 -24.126 -6.031 1.00 75.31 C ATOM 280 CG2 VAL A 18 12.048 -23.563 -6.942 1.00 22.44 C ATOM 0 H VAL A 18 11.749 -23.792 -9.489 1.00 65.34 H new ATOM 0 HA VAL A 18 10.872 -25.863 -7.883 1.00 23.42 H new ATOM 0 HB VAL A 18 10.182 -22.900 -7.726 1.00 14.14 H new ATOM 0 HG11 VAL A 18 9.887 -23.309 -5.317 1.00 75.31 H new ATOM 0 HG12 VAL A 18 8.733 -24.248 -6.293 1.00 75.31 H new ATOM 0 HG13 VAL A 18 10.155 -25.048 -5.584 1.00 75.31 H new ATOM 0 HG21 VAL A 18 12.120 -22.754 -6.215 1.00 22.44 H new ATOM 0 HG22 VAL A 18 12.481 -24.470 -6.520 1.00 22.44 H new ATOM 0 HG23 VAL A 18 12.592 -23.288 -7.846 1.00 22.44 H new ATOM 290 N ARG A 19 8.541 -24.617 -9.757 1.00 65.03 N ATOM 291 CA ARG A 19 7.152 -24.750 -10.178 1.00 51.22 C ATOM 292 C ARG A 19 6.926 -26.077 -10.897 1.00 11.32 C ATOM 293 O ARG A 19 6.062 -26.864 -10.511 1.00 4.24 O ATOM 294 CB ARG A 19 6.761 -23.588 -11.094 1.00 60.51 C ATOM 295 CG ARG A 19 5.260 -23.438 -11.280 1.00 0.34 C ATOM 296 CD ARG A 19 4.860 -21.977 -11.420 1.00 31.32 C ATOM 297 NE ARG A 19 3.430 -21.823 -11.673 1.00 71.55 N ATOM 298 CZ ARG A 19 2.887 -20.719 -12.173 1.00 12.11 C ATOM 299 NH1 ARG A 19 3.651 -19.677 -12.471 1.00 54.11 N ATOM 300 NH2 ARG A 19 1.577 -20.655 -12.375 1.00 60.25 N ATOM 0 H ARG A 19 9.125 -24.075 -10.394 1.00 65.03 H new ATOM 0 HA ARG A 19 6.525 -24.728 -9.287 1.00 51.22 H new ATOM 0 HB2 ARG A 19 7.162 -22.662 -10.683 1.00 60.51 H new ATOM 0 HB3 ARG A 19 7.227 -23.732 -12.069 1.00 60.51 H new ATOM 0 HG2 ARG A 19 4.945 -23.989 -12.166 1.00 0.34 H new ATOM 0 HG3 ARG A 19 4.741 -23.879 -10.429 1.00 0.34 H new ATOM 0 HD2 ARG A 19 5.127 -21.439 -10.510 1.00 31.32 H new ATOM 0 HD3 ARG A 19 5.423 -21.523 -12.235 1.00 31.32 H new ATOM 0 HE ARG A 19 2.815 -22.606 -11.454 1.00 71.55 H new ATOM 0 HH11 ARG A 19 4.658 -19.722 -12.316 1.00 54.11 H new ATOM 0 HH12 ARG A 19 3.232 -18.830 -12.855 1.00 54.11 H new ATOM 0 HH21 ARG A 19 0.986 -21.454 -12.146 1.00 60.25 H new ATOM 0 HH22 ARG A 19 1.161 -19.807 -12.759 1.00 60.25 H new ATOM 314 N ALA A 20 7.708 -26.317 -11.944 1.00 74.13 N ATOM 315 CA ALA A 20 7.594 -27.549 -12.716 1.00 11.42 C ATOM 316 C ALA A 20 7.638 -28.772 -11.807 1.00 32.04 C ATOM 317 O ALA A 20 6.898 -29.735 -12.008 1.00 53.14 O ATOM 318 CB ALA A 20 8.700 -27.623 -13.758 1.00 3.24 C ATOM 0 H ALA A 20 8.427 -25.675 -12.277 1.00 74.13 H new ATOM 0 HA ALA A 20 6.630 -27.542 -13.225 1.00 11.42 H new ATOM 0 HB1 ALA A 20 8.603 -28.548 -14.327 1.00 3.24 H new ATOM 0 HB2 ALA A 20 8.621 -26.771 -14.434 1.00 3.24 H new ATOM 0 HB3 ALA A 20 9.670 -27.603 -13.261 1.00 3.24 H new ATOM 324 N VAL A 21 8.510 -28.728 -10.805 1.00 25.22 N ATOM 325 CA VAL A 21 8.651 -29.833 -9.864 1.00 74.21 C ATOM 326 C VAL A 21 7.481 -29.875 -8.887 1.00 2.31 C ATOM 327 O VAL A 21 7.123 -30.936 -8.375 1.00 74.32 O ATOM 328 CB VAL A 21 9.966 -29.730 -9.069 1.00 70.44 C ATOM 329 CG1 VAL A 21 10.073 -28.375 -8.387 1.00 64.13 C ATOM 330 CG2 VAL A 21 10.063 -30.857 -8.052 1.00 70.53 C ATOM 0 H VAL A 21 9.130 -27.939 -10.624 1.00 25.22 H new ATOM 0 HA VAL A 21 8.663 -30.750 -10.453 1.00 74.21 H new ATOM 0 HB VAL A 21 10.799 -29.826 -9.765 1.00 70.44 H new ATOM 0 HG11 VAL A 21 11.008 -28.321 -7.830 1.00 64.13 H new ATOM 0 HG12 VAL A 21 10.052 -27.586 -9.139 1.00 64.13 H new ATOM 0 HG13 VAL A 21 9.235 -28.245 -7.702 1.00 64.13 H new ATOM 0 HG21 VAL A 21 10.998 -30.769 -7.499 1.00 70.53 H new ATOM 0 HG22 VAL A 21 9.224 -30.794 -7.359 1.00 70.53 H new ATOM 0 HG23 VAL A 21 10.036 -31.816 -8.568 1.00 70.53 H new ATOM 340 N LEU A 22 6.889 -28.713 -8.632 1.00 21.20 N ATOM 341 CA LEU A 22 5.758 -28.616 -7.716 1.00 1.23 C ATOM 342 C LEU A 22 4.564 -29.407 -8.239 1.00 54.00 C ATOM 343 O LEU A 22 3.775 -29.945 -7.462 1.00 43.42 O ATOM 344 CB LEU A 22 5.365 -27.151 -7.513 1.00 61.42 C ATOM 345 CG LEU A 22 5.252 -26.681 -6.063 1.00 33.34 C ATOM 346 CD1 LEU A 22 4.081 -27.363 -5.371 1.00 2.53 C ATOM 347 CD2 LEU A 22 6.548 -26.951 -5.312 1.00 14.42 C ATOM 0 H LEU A 22 7.173 -27.825 -9.047 1.00 21.20 H new ATOM 0 HA LEU A 22 6.060 -29.041 -6.759 1.00 1.23 H new ATOM 0 HB2 LEU A 22 6.099 -26.525 -8.021 1.00 61.42 H new ATOM 0 HB3 LEU A 22 4.407 -26.981 -8.005 1.00 61.42 H new ATOM 0 HG LEU A 22 5.072 -25.606 -6.062 1.00 33.34 H new ATOM 0 HD11 LEU A 22 4.016 -27.016 -4.340 1.00 2.53 H new ATOM 0 HD12 LEU A 22 3.157 -27.119 -5.895 1.00 2.53 H new ATOM 0 HD13 LEU A 22 4.230 -28.443 -5.382 1.00 2.53 H new ATOM 0 HD21 LEU A 22 6.449 -26.610 -4.281 1.00 14.42 H new ATOM 0 HD22 LEU A 22 6.758 -28.021 -5.322 1.00 14.42 H new ATOM 0 HD23 LEU A 22 7.366 -26.416 -5.794 1.00 14.42 H new ATOM 359 N GLU A 23 4.438 -29.475 -9.561 1.00 5.02 N ATOM 360 CA GLU A 23 3.341 -30.202 -10.187 1.00 74.10 C ATOM 361 C GLU A 23 3.450 -31.699 -9.909 1.00 5.51 C ATOM 362 O GLU A 23 2.465 -32.351 -9.563 1.00 72.55 O ATOM 363 CB GLU A 23 3.329 -29.952 -11.697 1.00 24.34 C ATOM 364 CG GLU A 23 3.568 -28.500 -12.075 1.00 32.20 C ATOM 365 CD GLU A 23 2.824 -27.533 -11.175 1.00 33.02 C ATOM 366 OE1 GLU A 23 1.600 -27.368 -11.363 1.00 23.33 O ATOM 367 OE2 GLU A 23 3.466 -26.941 -10.282 1.00 33.11 O ATOM 0 H GLU A 23 5.082 -29.035 -10.218 1.00 5.02 H new ATOM 0 HA GLU A 23 2.407 -29.838 -9.758 1.00 74.10 H new ATOM 0 HB2 GLU A 23 4.094 -30.571 -12.165 1.00 24.34 H new ATOM 0 HB3 GLU A 23 2.369 -30.271 -12.102 1.00 24.34 H new ATOM 0 HG2 GLU A 23 4.636 -28.287 -12.027 1.00 32.20 H new ATOM 0 HG3 GLU A 23 3.258 -28.341 -13.108 1.00 32.20 H new ATOM 374 N LEU A 24 4.656 -32.236 -10.062 1.00 53.34 N ATOM 375 CA LEU A 24 4.896 -33.655 -9.829 1.00 30.54 C ATOM 376 C LEU A 24 4.909 -33.967 -8.336 1.00 2.15 C ATOM 377 O LEU A 24 4.921 -35.130 -7.933 1.00 21.33 O ATOM 378 CB LEU A 24 6.223 -34.079 -10.461 1.00 74.34 C ATOM 379 CG LEU A 24 7.462 -33.945 -9.576 1.00 11.31 C ATOM 380 CD1 LEU A 24 7.713 -35.234 -8.810 1.00 22.12 C ATOM 381 CD2 LEU A 24 8.678 -33.574 -10.413 1.00 14.23 C ATOM 0 H LEU A 24 5.482 -31.710 -10.346 1.00 53.34 H new ATOM 0 HA LEU A 24 4.084 -34.216 -10.292 1.00 30.54 H new ATOM 0 HB2 LEU A 24 6.137 -35.119 -10.775 1.00 74.34 H new ATOM 0 HB3 LEU A 24 6.379 -33.486 -11.362 1.00 74.34 H new ATOM 0 HG LEU A 24 7.285 -33.147 -8.855 1.00 11.31 H new ATOM 0 HD11 LEU A 24 8.599 -35.119 -8.186 1.00 22.12 H new ATOM 0 HD12 LEU A 24 6.852 -35.457 -8.180 1.00 22.12 H new ATOM 0 HD13 LEU A 24 7.869 -36.051 -9.514 1.00 22.12 H new ATOM 0 HD21 LEU A 24 9.551 -33.483 -9.766 1.00 14.23 H new ATOM 0 HD22 LEU A 24 8.857 -34.350 -11.158 1.00 14.23 H new ATOM 0 HD23 LEU A 24 8.498 -32.624 -10.915 1.00 14.23 H new ATOM 393 N LYS A 25 4.905 -32.919 -7.518 1.00 30.50 N ATOM 394 CA LYS A 25 4.913 -33.079 -6.069 1.00 31.53 C ATOM 395 C LYS A 25 3.498 -33.282 -5.536 1.00 0.21 C ATOM 396 O LYS A 25 3.304 -33.859 -4.467 1.00 1.11 O ATOM 397 CB LYS A 25 5.550 -31.857 -5.404 1.00 32.25 C ATOM 398 CG LYS A 25 7.053 -31.771 -5.602 1.00 41.12 C ATOM 399 CD LYS A 25 7.804 -32.061 -4.313 1.00 74.33 C ATOM 400 CE LYS A 25 7.569 -30.975 -3.275 1.00 43.20 C ATOM 401 NZ LYS A 25 7.354 -31.544 -1.916 1.00 2.33 N ATOM 0 H LYS A 25 4.896 -31.949 -7.835 1.00 30.50 H new ATOM 0 HA LYS A 25 5.503 -33.964 -5.829 1.00 31.53 H new ATOM 0 HB2 LYS A 25 5.087 -30.954 -5.803 1.00 32.25 H new ATOM 0 HB3 LYS A 25 5.333 -31.881 -4.336 1.00 32.25 H new ATOM 0 HG2 LYS A 25 7.361 -32.480 -6.371 1.00 41.12 H new ATOM 0 HG3 LYS A 25 7.317 -30.777 -5.962 1.00 41.12 H new ATOM 0 HD2 LYS A 25 7.484 -33.023 -3.913 1.00 74.33 H new ATOM 0 HD3 LYS A 25 8.871 -32.141 -4.522 1.00 74.33 H new ATOM 0 HE2 LYS A 25 8.425 -30.300 -3.255 1.00 43.20 H new ATOM 0 HE3 LYS A 25 6.701 -30.381 -3.561 1.00 43.20 H new ATOM 0 HZ1 LYS A 25 7.534 -30.811 -1.200 1.00 2.33 H new ATOM 0 HZ2 LYS A 25 6.373 -31.878 -1.831 1.00 2.33 H new ATOM 0 HZ3 LYS A 25 8.005 -32.341 -1.766 1.00 2.33 H new ATOM 415 N ASN A 26 2.513 -32.804 -6.289 1.00 71.24 N ATOM 416 CA ASN A 26 1.115 -32.934 -5.893 1.00 4.12 C ATOM 417 C ASN A 26 0.375 -33.895 -6.817 1.00 75.22 C ATOM 418 O ASN A 26 -0.588 -34.545 -6.410 1.00 24.11 O ATOM 419 CB ASN A 26 0.431 -31.566 -5.906 1.00 53.34 C ATOM 420 CG ASN A 26 0.655 -30.794 -4.620 1.00 70.04 C ATOM 421 OD1 ASN A 26 1.916 -30.652 -4.228 1.00 72.44 O flip ATOM 422 ND2 ASN A 26 -0.294 -30.331 -3.987 1.00 53.43 N flip ATOM 0 H ASN A 26 2.657 -32.323 -7.177 1.00 71.24 H new ATOM 0 HA ASN A 26 1.086 -33.338 -4.881 1.00 4.12 H new ATOM 0 HB2 ASN A 26 0.807 -30.983 -6.747 1.00 53.34 H new ATOM 0 HB3 ASN A 26 -0.639 -31.700 -6.064 1.00 53.34 H new ATOM 0 HD21 ASN A 26 -1.247 -30.464 -4.326 1.00 53.43 H new ATOM 0 HD22 ASN A 26 -0.127 -29.814 -3.124 1.00 53.43 H new ATOM 429 N GLU A 27 0.831 -33.979 -8.063 1.00 72.50 N ATOM 430 CA GLU A 27 0.211 -34.861 -9.045 1.00 34.31 C ATOM 431 C GLU A 27 0.822 -36.258 -8.984 1.00 72.23 C ATOM 432 O GLU A 27 0.439 -37.149 -9.744 1.00 20.32 O ATOM 433 CB GLU A 27 0.369 -34.284 -10.453 1.00 74.22 C ATOM 434 CG GLU A 27 -0.399 -32.991 -10.671 1.00 35.31 C ATOM 435 CD GLU A 27 -1.875 -33.226 -10.930 1.00 40.12 C ATOM 436 OE1 GLU A 27 -2.644 -33.307 -9.949 1.00 45.10 O ATOM 437 OE2 GLU A 27 -2.261 -33.329 -12.113 1.00 51.31 O ATOM 0 H GLU A 27 1.627 -33.448 -8.416 1.00 72.50 H new ATOM 0 HA GLU A 27 -0.850 -34.937 -8.808 1.00 34.31 H new ATOM 0 HB2 GLU A 27 1.427 -34.105 -10.647 1.00 74.22 H new ATOM 0 HB3 GLU A 27 0.032 -35.024 -11.179 1.00 74.22 H new ATOM 0 HG2 GLU A 27 -0.285 -32.353 -9.795 1.00 35.31 H new ATOM 0 HG3 GLU A 27 0.033 -32.454 -11.515 1.00 35.31 H new ATOM 444 N LEU A 28 1.774 -36.442 -8.077 1.00 1.24 N ATOM 445 CA LEU A 28 2.440 -37.730 -7.916 1.00 11.10 C ATOM 446 C LEU A 28 1.421 -38.853 -7.756 1.00 32.45 C ATOM 447 O LEU A 28 1.606 -39.952 -8.279 1.00 75.01 O ATOM 448 CB LEU A 28 3.374 -37.696 -6.705 1.00 34.12 C ATOM 449 CG LEU A 28 4.549 -38.673 -6.736 1.00 64.12 C ATOM 450 CD1 LEU A 28 4.050 -40.110 -6.727 1.00 2.42 C ATOM 451 CD2 LEU A 28 5.422 -38.418 -7.956 1.00 44.13 C ATOM 0 H LEU A 28 2.103 -35.715 -7.441 1.00 1.24 H new ATOM 0 HA LEU A 28 3.027 -37.923 -8.814 1.00 11.10 H new ATOM 0 HB2 LEU A 28 3.770 -36.685 -6.605 1.00 34.12 H new ATOM 0 HB3 LEU A 28 2.784 -37.897 -5.811 1.00 34.12 H new ATOM 0 HG LEU A 28 5.152 -38.514 -5.842 1.00 64.12 H new ATOM 0 HD11 LEU A 28 4.901 -40.791 -6.749 1.00 2.42 H new ATOM 0 HD12 LEU A 28 3.467 -40.287 -5.823 1.00 2.42 H new ATOM 0 HD13 LEU A 28 3.424 -40.283 -7.602 1.00 2.42 H new ATOM 0 HD21 LEU A 28 6.254 -39.123 -7.962 1.00 44.13 H new ATOM 0 HD22 LEU A 28 4.829 -38.549 -8.861 1.00 44.13 H new ATOM 0 HD23 LEU A 28 5.809 -37.400 -7.920 1.00 44.13 H new ATOM 463 N SER A 29 0.344 -38.569 -7.030 1.00 31.40 N ATOM 464 CA SER A 29 -0.704 -39.556 -6.799 1.00 74.53 C ATOM 465 C SER A 29 -1.888 -39.319 -7.732 1.00 35.43 C ATOM 466 O SER A 29 -3.044 -39.395 -7.315 1.00 50.42 O ATOM 467 CB SER A 29 -1.170 -39.506 -5.343 1.00 23.43 C ATOM 468 OG SER A 29 -2.055 -40.575 -5.053 1.00 44.40 O ATOM 0 H SER A 29 0.175 -37.664 -6.592 1.00 31.40 H new ATOM 0 HA SER A 29 -0.291 -40.543 -7.007 1.00 74.53 H new ATOM 0 HB2 SER A 29 -0.306 -39.555 -4.680 1.00 23.43 H new ATOM 0 HB3 SER A 29 -1.667 -38.556 -5.150 1.00 23.43 H new ATOM 0 HG SER A 29 -2.785 -40.582 -5.707 1.00 44.40 H new ATOM 474 N GLN A 30 -1.591 -39.033 -8.995 1.00 3.21 N ATOM 475 CA GLN A 30 -2.630 -38.784 -9.987 1.00 11.23 C ATOM 476 C GLN A 30 -2.388 -39.607 -11.247 1.00 73.53 C ATOM 477 O GLN A 30 -3.212 -40.442 -11.624 1.00 30.44 O ATOM 478 CB GLN A 30 -2.684 -37.296 -10.338 1.00 4.12 C ATOM 479 CG GLN A 30 -4.097 -36.749 -10.454 1.00 50.31 C ATOM 480 CD GLN A 30 -4.896 -36.920 -9.177 1.00 40.22 C ATOM 481 OE1 GLN A 30 -6.022 -37.417 -9.198 1.00 31.42 O ATOM 482 NE2 GLN A 30 -4.316 -36.507 -8.056 1.00 72.30 N ATOM 0 H GLN A 30 -0.639 -38.968 -9.356 1.00 3.21 H new ATOM 0 HA GLN A 30 -3.586 -39.084 -9.558 1.00 11.23 H new ATOM 0 HB2 GLN A 30 -2.146 -36.732 -9.576 1.00 4.12 H new ATOM 0 HB3 GLN A 30 -2.162 -37.135 -11.281 1.00 4.12 H new ATOM 0 HG2 GLN A 30 -4.053 -35.691 -10.711 1.00 50.31 H new ATOM 0 HG3 GLN A 30 -4.612 -37.254 -11.271 1.00 50.31 H new ATOM 0 HE21 GLN A 30 -3.381 -36.101 -8.085 1.00 72.30 H new ATOM 0 HE22 GLN A 30 -4.806 -36.596 -7.166 1.00 72.30 H new ATOM 491 N LEU A 31 -1.254 -39.367 -11.896 1.00 73.42 N ATOM 492 CA LEU A 31 -0.904 -40.087 -13.116 1.00 24.02 C ATOM 493 C LEU A 31 0.295 -41.001 -12.883 1.00 31.31 C ATOM 494 O LEU A 31 1.067 -40.825 -11.940 1.00 63.35 O ATOM 495 CB LEU A 31 -0.595 -39.100 -14.243 1.00 72.10 C ATOM 496 CG LEU A 31 0.055 -37.782 -13.822 1.00 5.02 C ATOM 497 CD1 LEU A 31 1.047 -37.315 -14.876 1.00 70.23 C ATOM 498 CD2 LEU A 31 -1.005 -36.718 -13.576 1.00 62.41 C ATOM 0 H LEU A 31 -0.561 -38.680 -11.598 1.00 73.42 H new ATOM 0 HA LEU A 31 -1.757 -40.702 -13.403 1.00 24.02 H new ATOM 0 HB2 LEU A 31 0.061 -39.593 -14.960 1.00 72.10 H new ATOM 0 HB3 LEU A 31 -1.525 -38.873 -14.765 1.00 72.10 H new ATOM 0 HG LEU A 31 0.597 -37.948 -12.891 1.00 5.02 H new ATOM 0 HD11 LEU A 31 1.500 -36.375 -14.559 1.00 70.23 H new ATOM 0 HD12 LEU A 31 1.825 -38.068 -15.002 1.00 70.23 H new ATOM 0 HD13 LEU A 31 0.528 -37.166 -15.823 1.00 70.23 H new ATOM 0 HD21 LEU A 31 -0.523 -35.787 -13.277 1.00 62.41 H new ATOM 0 HD22 LEU A 31 -1.575 -36.554 -14.490 1.00 62.41 H new ATOM 0 HD23 LEU A 31 -1.676 -37.050 -12.784 1.00 62.41 H new ATOM 510 N PRO A 32 0.457 -42.001 -13.763 1.00 13.14 N ATOM 511 CA PRO A 32 1.561 -42.961 -13.675 1.00 71.14 C ATOM 512 C PRO A 32 2.908 -42.326 -14.001 1.00 5.14 C ATOM 513 O PRO A 32 2.988 -41.205 -14.504 1.00 23.11 O ATOM 514 CB PRO A 32 1.199 -44.014 -14.726 1.00 31.35 C ATOM 515 CG PRO A 32 0.339 -43.293 -15.705 1.00 11.31 C ATOM 516 CD PRO A 32 -0.426 -42.270 -14.910 1.00 63.43 C ATOM 0 HA PRO A 32 1.672 -43.363 -12.668 1.00 71.14 H new ATOM 0 HB2 PRO A 32 2.091 -44.418 -15.205 1.00 31.35 H new ATOM 0 HB3 PRO A 32 0.669 -44.855 -14.278 1.00 31.35 H new ATOM 0 HG2 PRO A 32 0.942 -42.816 -16.477 1.00 11.31 H new ATOM 0 HG3 PRO A 32 -0.339 -43.981 -16.210 1.00 11.31 H new ATOM 0 HD2 PRO A 32 -0.615 -41.368 -15.492 1.00 63.43 H new ATOM 0 HD3 PRO A 32 -1.395 -42.652 -14.590 1.00 63.43 H new ATOM 524 N PRO A 33 3.994 -43.057 -13.708 1.00 3.12 N ATOM 525 CA PRO A 33 5.359 -42.585 -13.962 1.00 14.31 C ATOM 526 C PRO A 33 5.682 -42.521 -15.451 1.00 22.33 C ATOM 527 O PRO A 33 6.571 -41.781 -15.870 1.00 52.14 O ATOM 528 CB PRO A 33 6.232 -43.634 -13.269 1.00 52.20 C ATOM 529 CG PRO A 33 5.396 -44.867 -13.247 1.00 25.15 C ATOM 530 CD PRO A 33 3.974 -44.401 -13.107 1.00 13.05 C ATOM 0 HA PRO A 33 5.515 -41.571 -13.594 1.00 14.31 H new ATOM 0 HB2 PRO A 33 7.163 -43.796 -13.813 1.00 52.20 H new ATOM 0 HB3 PRO A 33 6.502 -43.321 -12.261 1.00 52.20 H new ATOM 0 HG2 PRO A 33 5.529 -45.445 -14.162 1.00 25.15 H new ATOM 0 HG3 PRO A 33 5.678 -45.515 -12.417 1.00 25.15 H new ATOM 0 HD2 PRO A 33 3.281 -45.063 -13.627 1.00 13.05 H new ATOM 0 HD3 PRO A 33 3.662 -44.370 -12.063 1.00 13.05 H new ATOM 538 N GLU A 34 4.955 -43.302 -16.244 1.00 21.35 N ATOM 539 CA GLU A 34 5.166 -43.334 -17.686 1.00 5.10 C ATOM 540 C GLU A 34 5.056 -41.934 -18.283 1.00 5.32 C ATOM 541 O GLU A 34 5.646 -41.642 -19.323 1.00 33.34 O ATOM 542 CB GLU A 34 4.152 -44.265 -18.352 1.00 73.32 C ATOM 543 CG GLU A 34 4.374 -44.439 -19.845 1.00 54.13 C ATOM 544 CD GLU A 34 3.889 -45.782 -20.355 1.00 31.31 C ATOM 545 OE1 GLU A 34 2.663 -46.018 -20.331 1.00 15.22 O ATOM 546 OE2 GLU A 34 4.735 -46.598 -20.777 1.00 51.22 O ATOM 0 H GLU A 34 4.215 -43.921 -15.912 1.00 21.35 H new ATOM 0 HA GLU A 34 6.171 -43.712 -17.872 1.00 5.10 H new ATOM 0 HB2 GLU A 34 4.197 -45.242 -17.870 1.00 73.32 H new ATOM 0 HB3 GLU A 34 3.148 -43.874 -18.186 1.00 73.32 H new ATOM 0 HG2 GLU A 34 3.857 -43.643 -20.381 1.00 54.13 H new ATOM 0 HG3 GLU A 34 5.436 -44.333 -20.065 1.00 54.13 H new ATOM 553 N GLY A 35 4.296 -41.070 -17.616 1.00 21.40 N ATOM 554 CA GLY A 35 4.121 -39.712 -18.095 1.00 3.20 C ATOM 555 C GLY A 35 4.986 -38.717 -17.346 1.00 33.22 C ATOM 556 O GLY A 35 4.973 -37.523 -17.646 1.00 32.11 O ATOM 0 H GLY A 35 3.799 -41.287 -16.752 1.00 21.40 H new ATOM 0 HA2 GLY A 35 4.362 -39.671 -19.157 1.00 3.20 H new ATOM 0 HA3 GLY A 35 3.074 -39.427 -17.994 1.00 3.20 H new ATOM 560 N TYR A 36 5.738 -39.209 -16.367 1.00 55.32 N ATOM 561 CA TYR A 36 6.609 -38.354 -15.570 1.00 11.12 C ATOM 562 C TYR A 36 8.047 -38.420 -16.075 1.00 1.43 C ATOM 563 O TYR A 36 8.830 -37.491 -15.877 1.00 2.44 O ATOM 564 CB TYR A 36 6.554 -38.766 -14.098 1.00 1.33 C ATOM 565 CG TYR A 36 5.501 -38.028 -13.301 1.00 64.34 C ATOM 566 CD1 TYR A 36 5.449 -36.640 -13.300 1.00 12.01 C ATOM 567 CD2 TYR A 36 4.559 -38.720 -12.551 1.00 75.31 C ATOM 568 CE1 TYR A 36 4.489 -35.962 -12.573 1.00 62.32 C ATOM 569 CE2 TYR A 36 3.594 -38.051 -11.822 1.00 43.04 C ATOM 570 CZ TYR A 36 3.564 -36.672 -11.836 1.00 61.13 C ATOM 571 OH TYR A 36 2.606 -36.001 -11.112 1.00 53.32 O ATOM 0 H TYR A 36 5.762 -40.195 -16.107 1.00 55.32 H new ATOM 0 HA TYR A 36 6.256 -37.327 -15.667 1.00 11.12 H new ATOM 0 HB2 TYR A 36 6.360 -39.837 -14.036 1.00 1.33 H new ATOM 0 HB3 TYR A 36 7.530 -38.592 -13.644 1.00 1.33 H new ATOM 0 HD1 TYR A 36 6.171 -36.081 -13.877 1.00 12.01 H new ATOM 0 HD2 TYR A 36 4.581 -39.800 -12.537 1.00 75.31 H new ATOM 0 HE1 TYR A 36 4.463 -34.882 -12.582 1.00 62.32 H new ATOM 0 HE2 TYR A 36 2.868 -38.604 -11.245 1.00 43.04 H new ATOM 0 HH TYR A 36 1.753 -36.480 -11.174 1.00 53.32 H new ATOM 581 N VAL A 37 8.387 -39.525 -16.729 1.00 65.34 N ATOM 582 CA VAL A 37 9.730 -39.714 -17.265 1.00 43.43 C ATOM 583 C VAL A 37 10.129 -38.553 -18.170 1.00 73.12 C ATOM 584 O VAL A 37 11.313 -38.260 -18.337 1.00 54.12 O ATOM 585 CB VAL A 37 9.839 -41.029 -18.059 1.00 34.33 C ATOM 586 CG1 VAL A 37 8.858 -41.034 -19.222 1.00 21.14 C ATOM 587 CG2 VAL A 37 11.263 -41.239 -18.551 1.00 13.25 C ATOM 0 H VAL A 37 7.751 -40.304 -16.901 1.00 65.34 H new ATOM 0 HA VAL A 37 10.407 -39.756 -16.412 1.00 43.43 H new ATOM 0 HB VAL A 37 9.583 -41.855 -17.396 1.00 34.33 H new ATOM 0 HG11 VAL A 37 8.950 -41.971 -19.771 1.00 21.14 H new ATOM 0 HG12 VAL A 37 7.842 -40.935 -18.841 1.00 21.14 H new ATOM 0 HG13 VAL A 37 9.079 -40.200 -19.888 1.00 21.14 H new ATOM 0 HG21 VAL A 37 11.321 -42.173 -19.110 1.00 13.25 H new ATOM 0 HG22 VAL A 37 11.550 -40.410 -19.198 1.00 13.25 H new ATOM 0 HG23 VAL A 37 11.940 -41.284 -17.698 1.00 13.25 H new ATOM 597 N VAL A 38 9.132 -37.895 -18.753 1.00 15.45 N ATOM 598 CA VAL A 38 9.377 -36.764 -19.640 1.00 22.01 C ATOM 599 C VAL A 38 9.330 -35.446 -18.876 1.00 4.41 C ATOM 600 O VAL A 38 9.895 -34.442 -19.312 1.00 64.51 O ATOM 601 CB VAL A 38 8.350 -36.717 -20.787 1.00 11.05 C ATOM 602 CG1 VAL A 38 6.964 -36.394 -20.249 1.00 41.22 C ATOM 603 CG2 VAL A 38 8.773 -35.703 -21.839 1.00 14.13 C ATOM 0 H VAL A 38 8.147 -38.126 -18.627 1.00 15.45 H new ATOM 0 HA VAL A 38 10.373 -36.902 -20.060 1.00 22.01 H new ATOM 0 HB VAL A 38 8.311 -37.699 -21.258 1.00 11.05 H new ATOM 0 HG11 VAL A 38 6.251 -36.365 -21.073 1.00 41.22 H new ATOM 0 HG12 VAL A 38 6.663 -37.161 -19.536 1.00 41.22 H new ATOM 0 HG13 VAL A 38 6.984 -35.424 -19.752 1.00 41.22 H new ATOM 0 HG21 VAL A 38 8.036 -35.683 -22.642 1.00 14.13 H new ATOM 0 HG22 VAL A 38 8.842 -34.715 -21.385 1.00 14.13 H new ATOM 0 HG23 VAL A 38 9.745 -35.984 -22.245 1.00 14.13 H new ATOM 613 N VAL A 39 8.653 -35.454 -17.732 1.00 62.31 N ATOM 614 CA VAL A 39 8.534 -34.259 -16.905 1.00 74.43 C ATOM 615 C VAL A 39 9.841 -33.960 -16.180 1.00 13.10 C ATOM 616 O VAL A 39 10.238 -32.802 -16.047 1.00 24.41 O ATOM 617 CB VAL A 39 7.405 -34.406 -15.867 1.00 41.33 C ATOM 618 CG1 VAL A 39 7.313 -33.160 -15.000 1.00 13.14 C ATOM 619 CG2 VAL A 39 6.079 -34.684 -16.558 1.00 52.24 C ATOM 0 H VAL A 39 8.178 -36.275 -17.357 1.00 62.31 H new ATOM 0 HA VAL A 39 8.297 -33.432 -17.575 1.00 74.43 H new ATOM 0 HB VAL A 39 7.636 -35.253 -15.221 1.00 41.33 H new ATOM 0 HG11 VAL A 39 6.510 -33.281 -14.273 1.00 13.14 H new ATOM 0 HG12 VAL A 39 8.257 -33.010 -14.477 1.00 13.14 H new ATOM 0 HG13 VAL A 39 7.105 -32.294 -15.628 1.00 13.14 H new ATOM 0 HG21 VAL A 39 5.293 -34.785 -15.810 1.00 52.24 H new ATOM 0 HG22 VAL A 39 5.838 -33.859 -17.228 1.00 52.24 H new ATOM 0 HG23 VAL A 39 6.154 -35.608 -17.132 1.00 52.24 H new ATOM 629 N VAL A 40 10.506 -35.011 -15.712 1.00 61.43 N ATOM 630 CA VAL A 40 11.770 -34.862 -15.001 1.00 42.24 C ATOM 631 C VAL A 40 12.784 -34.092 -15.840 1.00 3.34 C ATOM 632 O VAL A 40 13.709 -33.478 -15.307 1.00 0.12 O ATOM 633 CB VAL A 40 12.367 -36.231 -14.623 1.00 52.52 C ATOM 634 CG1 VAL A 40 13.686 -36.053 -13.888 1.00 23.24 C ATOM 635 CG2 VAL A 40 11.381 -37.027 -13.782 1.00 12.11 C ATOM 0 H VAL A 40 10.190 -35.976 -15.813 1.00 61.43 H new ATOM 0 HA VAL A 40 11.557 -34.303 -14.090 1.00 42.24 H new ATOM 0 HB VAL A 40 12.562 -36.789 -15.539 1.00 52.52 H new ATOM 0 HG11 VAL A 40 14.093 -37.030 -13.629 1.00 23.24 H new ATOM 0 HG12 VAL A 40 14.391 -35.525 -14.529 1.00 23.24 H new ATOM 0 HG13 VAL A 40 13.521 -35.476 -12.978 1.00 23.24 H new ATOM 0 HG21 VAL A 40 11.819 -37.991 -13.524 1.00 12.11 H new ATOM 0 HG22 VAL A 40 11.153 -36.476 -12.870 1.00 12.11 H new ATOM 0 HG23 VAL A 40 10.464 -37.185 -14.349 1.00 12.11 H new ATOM 645 N LYS A 41 12.605 -34.128 -17.156 1.00 11.33 N ATOM 646 CA LYS A 41 13.503 -33.432 -18.070 1.00 54.01 C ATOM 647 C LYS A 41 13.428 -31.923 -17.862 1.00 43.32 C ATOM 648 O LYS A 41 14.445 -31.266 -17.642 1.00 22.40 O ATOM 649 CB LYS A 41 13.154 -33.776 -19.520 1.00 12.40 C ATOM 650 CG LYS A 41 14.300 -34.411 -20.287 1.00 44.12 C ATOM 651 CD LYS A 41 14.251 -35.928 -20.209 1.00 1.40 C ATOM 652 CE LYS A 41 14.388 -36.416 -18.775 1.00 73.42 C ATOM 653 NZ LYS A 41 14.966 -37.787 -18.709 1.00 43.02 N ATOM 0 H LYS A 41 11.846 -34.632 -17.614 1.00 11.33 H new ATOM 0 HA LYS A 41 14.521 -33.760 -17.860 1.00 54.01 H new ATOM 0 HB2 LYS A 41 12.302 -34.455 -19.528 1.00 12.40 H new ATOM 0 HB3 LYS A 41 12.842 -32.867 -20.035 1.00 12.40 H new ATOM 0 HG2 LYS A 41 14.258 -34.098 -21.330 1.00 44.12 H new ATOM 0 HG3 LYS A 41 15.249 -34.056 -19.885 1.00 44.12 H new ATOM 0 HD2 LYS A 41 13.310 -36.285 -20.628 1.00 1.40 H new ATOM 0 HD3 LYS A 41 15.051 -36.351 -20.817 1.00 1.40 H new ATOM 0 HE2 LYS A 41 15.022 -35.727 -18.216 1.00 73.42 H new ATOM 0 HE3 LYS A 41 13.410 -36.411 -18.294 1.00 73.42 H new ATOM 0 HZ1 LYS A 41 15.043 -38.084 -17.715 1.00 43.02 H new ATOM 0 HZ2 LYS A 41 14.349 -38.449 -19.221 1.00 43.02 H new ATOM 0 HZ3 LYS A 41 15.910 -37.787 -19.145 1.00 43.02 H new ATOM 667 N ASN A 42 12.217 -31.379 -17.933 1.00 25.15 N ATOM 668 CA ASN A 42 12.011 -29.947 -17.751 1.00 51.10 C ATOM 669 C ASN A 42 12.248 -29.543 -16.299 1.00 14.10 C ATOM 670 O ASN A 42 12.436 -28.365 -15.994 1.00 34.24 O ATOM 671 CB ASN A 42 10.594 -29.557 -18.176 1.00 51.12 C ATOM 672 CG ASN A 42 9.534 -30.150 -17.268 1.00 10.32 C ATOM 673 OD1 ASN A 42 8.928 -31.172 -17.588 1.00 31.44 O ATOM 674 ND2 ASN A 42 9.305 -29.508 -16.128 1.00 45.30 N ATOM 0 H ASN A 42 11.364 -31.908 -18.115 1.00 25.15 H new ATOM 0 HA ASN A 42 12.730 -29.419 -18.378 1.00 51.10 H new ATOM 0 HB2 ASN A 42 10.503 -28.471 -18.175 1.00 51.12 H new ATOM 0 HB3 ASN A 42 10.420 -29.890 -19.199 1.00 51.12 H new ATOM 0 HD21 ASN A 42 8.603 -29.859 -15.477 1.00 45.30 H new ATOM 0 HD22 ASN A 42 9.832 -28.664 -15.903 1.00 45.30 H new ATOM 681 N VAL A 43 12.237 -30.528 -15.407 1.00 24.40 N ATOM 682 CA VAL A 43 12.453 -30.277 -13.987 1.00 54.31 C ATOM 683 C VAL A 43 13.940 -30.179 -13.665 1.00 74.34 C ATOM 684 O VAL A 43 14.339 -29.486 -12.731 1.00 22.22 O ATOM 685 CB VAL A 43 11.822 -31.382 -13.119 1.00 62.13 C ATOM 686 CG1 VAL A 43 12.045 -31.094 -11.642 1.00 52.14 C ATOM 687 CG2 VAL A 43 10.339 -31.519 -13.426 1.00 54.15 C ATOM 0 H VAL A 43 12.081 -31.508 -15.643 1.00 24.40 H new ATOM 0 HA VAL A 43 11.972 -29.326 -13.758 1.00 54.31 H new ATOM 0 HB VAL A 43 12.308 -32.328 -13.357 1.00 62.13 H new ATOM 0 HG11 VAL A 43 11.592 -31.885 -11.045 1.00 52.14 H new ATOM 0 HG12 VAL A 43 13.115 -31.051 -11.437 1.00 52.14 H new ATOM 0 HG13 VAL A 43 11.588 -30.138 -11.385 1.00 52.14 H new ATOM 0 HG21 VAL A 43 9.910 -32.304 -12.804 1.00 54.15 H new ATOM 0 HG22 VAL A 43 9.836 -30.575 -13.218 1.00 54.15 H new ATOM 0 HG23 VAL A 43 10.207 -31.776 -14.477 1.00 54.15 H new ATOM 697 N GLY A 44 14.756 -30.879 -14.448 1.00 30.14 N ATOM 698 CA GLY A 44 16.191 -30.858 -14.230 1.00 53.33 C ATOM 699 C GLY A 44 16.924 -30.044 -15.278 1.00 53.20 C ATOM 700 O GLY A 44 18.120 -29.780 -15.146 1.00 33.32 O ATOM 0 H GLY A 44 14.449 -31.460 -15.229 1.00 30.14 H new ATOM 0 HA2 GLY A 44 16.400 -30.446 -13.243 1.00 53.33 H new ATOM 0 HA3 GLY A 44 16.571 -31.879 -14.236 1.00 53.33 H new ATOM 704 N LEU A 45 16.207 -29.645 -16.323 1.00 61.32 N ATOM 705 CA LEU A 45 16.797 -28.857 -17.400 1.00 23.41 C ATOM 706 C LEU A 45 16.792 -27.372 -17.054 1.00 11.14 C ATOM 707 O LEU A 45 17.542 -26.585 -17.632 1.00 24.20 O ATOM 708 CB LEU A 45 16.036 -29.091 -18.706 1.00 32.12 C ATOM 709 CG LEU A 45 16.449 -30.323 -19.512 1.00 51.35 C ATOM 710 CD1 LEU A 45 15.293 -30.809 -20.373 1.00 64.31 C ATOM 711 CD2 LEU A 45 17.664 -30.013 -20.374 1.00 5.10 C ATOM 0 H LEU A 45 15.216 -29.854 -16.447 1.00 61.32 H new ATOM 0 HA LEU A 45 17.831 -29.178 -17.527 1.00 23.41 H new ATOM 0 HB2 LEU A 45 14.974 -29.172 -18.475 1.00 32.12 H new ATOM 0 HB3 LEU A 45 16.158 -28.211 -19.337 1.00 32.12 H new ATOM 0 HG LEU A 45 16.716 -31.117 -18.815 1.00 51.35 H new ATOM 0 HD11 LEU A 45 15.605 -31.686 -20.940 1.00 64.31 H new ATOM 0 HD12 LEU A 45 14.449 -31.071 -19.735 1.00 64.31 H new ATOM 0 HD13 LEU A 45 14.996 -30.019 -21.062 1.00 64.31 H new ATOM 0 HD21 LEU A 45 17.944 -30.901 -20.941 1.00 5.10 H new ATOM 0 HD22 LEU A 45 17.424 -29.203 -21.063 1.00 5.10 H new ATOM 0 HD23 LEU A 45 18.495 -29.712 -19.736 1.00 5.10 H new ATOM 723 N THR A 46 15.942 -26.994 -16.104 1.00 54.21 N ATOM 724 CA THR A 46 15.839 -25.603 -15.679 1.00 70.45 C ATOM 725 C THR A 46 17.091 -25.164 -14.929 1.00 41.23 C ATOM 726 O THR A 46 17.697 -24.142 -15.256 1.00 75.12 O ATOM 727 CB THR A 46 14.610 -25.380 -14.778 1.00 73.45 C ATOM 728 OG1 THR A 46 13.485 -26.099 -15.297 1.00 62.42 O ATOM 729 CG2 THR A 46 14.271 -23.901 -14.682 1.00 10.53 C ATOM 0 H THR A 46 15.315 -27.632 -15.614 1.00 54.21 H new ATOM 0 HA THR A 46 15.731 -25.003 -16.583 1.00 70.45 H new ATOM 0 HB THR A 46 14.847 -25.748 -13.780 1.00 73.45 H new ATOM 0 HG1 THR A 46 13.586 -27.053 -15.097 1.00 62.42 H new ATOM 0 HG21 THR A 46 13.400 -23.768 -14.041 1.00 10.53 H new ATOM 0 HG22 THR A 46 15.118 -23.360 -14.260 1.00 10.53 H new ATOM 0 HG23 THR A 46 14.052 -23.513 -15.677 1.00 10.53 H new ATOM 737 N LEU A 47 17.475 -25.941 -13.923 1.00 4.12 N ATOM 738 CA LEU A 47 18.657 -25.632 -13.126 1.00 5.12 C ATOM 739 C LEU A 47 19.892 -25.497 -14.012 1.00 13.01 C ATOM 740 O LEU A 47 20.624 -24.511 -13.927 1.00 40.03 O ATOM 741 CB LEU A 47 18.887 -26.719 -12.075 1.00 33.33 C ATOM 742 CG LEU A 47 18.788 -28.163 -12.570 1.00 5.32 C ATOM 743 CD1 LEU A 47 20.174 -28.737 -12.818 1.00 25.30 C ATOM 744 CD2 LEU A 47 18.025 -29.019 -11.570 1.00 4.25 C ATOM 0 H LEU A 47 16.985 -26.790 -13.640 1.00 4.12 H new ATOM 0 HA LEU A 47 18.486 -24.680 -12.624 1.00 5.12 H new ATOM 0 HB2 LEU A 47 19.875 -26.572 -11.640 1.00 33.33 H new ATOM 0 HB3 LEU A 47 18.162 -26.580 -11.273 1.00 33.33 H new ATOM 0 HG LEU A 47 18.241 -28.167 -13.513 1.00 5.32 H new ATOM 0 HD11 LEU A 47 20.085 -29.765 -13.170 1.00 25.30 H new ATOM 0 HD12 LEU A 47 20.686 -28.139 -13.572 1.00 25.30 H new ATOM 0 HD13 LEU A 47 20.746 -28.719 -11.891 1.00 25.30 H new ATOM 0 HD21 LEU A 47 17.965 -30.043 -11.939 1.00 4.25 H new ATOM 0 HD22 LEU A 47 18.544 -29.009 -10.612 1.00 4.25 H new ATOM 0 HD23 LEU A 47 17.019 -28.619 -11.442 1.00 4.25 H new ATOM 756 N ARG A 48 20.115 -26.493 -14.863 1.00 34.32 N ATOM 757 CA ARG A 48 21.259 -26.485 -15.765 1.00 64.35 C ATOM 758 C ARG A 48 21.147 -25.347 -16.775 1.00 65.15 C ATOM 759 O ARG A 48 22.116 -25.008 -17.455 1.00 5.51 O ATOM 760 CB ARG A 48 21.367 -27.824 -16.499 1.00 11.51 C ATOM 761 CG ARG A 48 20.330 -28.002 -17.595 1.00 75.13 C ATOM 762 CD ARG A 48 20.473 -29.350 -18.284 1.00 22.41 C ATOM 763 NE ARG A 48 21.860 -29.639 -18.639 1.00 2.41 N ATOM 764 CZ ARG A 48 22.507 -29.032 -19.628 1.00 73.23 C ATOM 765 NH1 ARG A 48 21.895 -28.109 -20.357 1.00 12.44 N ATOM 766 NH2 ARG A 48 23.768 -29.349 -19.890 1.00 43.14 N ATOM 0 H ARG A 48 19.518 -27.316 -14.946 1.00 34.32 H new ATOM 0 HA ARG A 48 22.159 -26.332 -15.169 1.00 64.35 H new ATOM 0 HB2 ARG A 48 22.362 -27.911 -16.935 1.00 11.51 H new ATOM 0 HB3 ARG A 48 21.263 -28.634 -15.777 1.00 11.51 H new ATOM 0 HG2 ARG A 48 19.330 -27.914 -17.169 1.00 75.13 H new ATOM 0 HG3 ARG A 48 20.435 -27.204 -18.330 1.00 75.13 H new ATOM 0 HD2 ARG A 48 20.096 -30.134 -17.628 1.00 22.41 H new ATOM 0 HD3 ARG A 48 19.858 -29.364 -19.184 1.00 22.41 H new ATOM 0 HE ARG A 48 22.359 -30.345 -18.098 1.00 2.41 H new ATOM 0 HH11 ARG A 48 20.925 -27.863 -20.159 1.00 12.44 H new ATOM 0 HH12 ARG A 48 22.394 -27.645 -21.116 1.00 12.44 H new ATOM 0 HH21 ARG A 48 24.242 -30.059 -19.332 1.00 43.14 H new ATOM 0 HH22 ARG A 48 24.264 -28.882 -20.649 1.00 43.14 H new ATOM 780 N LYS A 49 19.959 -24.761 -16.869 1.00 74.24 N ATOM 781 CA LYS A 49 19.718 -23.661 -17.795 1.00 44.32 C ATOM 782 C LYS A 49 19.954 -22.316 -17.115 1.00 14.03 C ATOM 783 O LYS A 49 20.353 -21.344 -17.758 1.00 74.41 O ATOM 784 CB LYS A 49 18.289 -23.726 -18.338 1.00 61.51 C ATOM 785 CG LYS A 49 17.980 -22.654 -19.368 1.00 15.32 C ATOM 786 CD LYS A 49 16.582 -22.088 -19.181 1.00 12.24 C ATOM 787 CE LYS A 49 15.516 -23.147 -19.416 1.00 13.12 C ATOM 788 NZ LYS A 49 15.668 -23.802 -20.744 1.00 62.04 N ATOM 0 H LYS A 49 19.146 -25.030 -16.314 1.00 74.24 H new ATOM 0 HA LYS A 49 20.419 -23.758 -18.624 1.00 44.32 H new ATOM 0 HB2 LYS A 49 18.124 -24.706 -18.785 1.00 61.51 H new ATOM 0 HB3 LYS A 49 17.589 -23.632 -17.508 1.00 61.51 H new ATOM 0 HG2 LYS A 49 18.712 -21.851 -19.289 1.00 15.32 H new ATOM 0 HG3 LYS A 49 18.073 -23.073 -20.370 1.00 15.32 H new ATOM 0 HD2 LYS A 49 16.482 -21.688 -18.172 1.00 12.24 H new ATOM 0 HD3 LYS A 49 16.429 -21.257 -19.870 1.00 12.24 H new ATOM 0 HE2 LYS A 49 15.574 -23.901 -18.631 1.00 13.12 H new ATOM 0 HE3 LYS A 49 14.529 -22.690 -19.347 1.00 13.12 H new ATOM 0 HZ1 LYS A 49 14.811 -24.350 -20.961 1.00 62.04 H new ATOM 0 HZ2 LYS A 49 15.809 -23.076 -21.475 1.00 62.04 H new ATOM 0 HZ3 LYS A 49 16.491 -24.438 -20.725 1.00 62.04 H new ATOM 802 N LEU A 50 19.705 -22.267 -15.811 1.00 5.24 N ATOM 803 CA LEU A 50 19.892 -21.041 -15.042 1.00 51.00 C ATOM 804 C LEU A 50 21.305 -20.964 -14.474 1.00 24.00 C ATOM 805 O LEU A 50 21.825 -19.877 -14.221 1.00 13.40 O ATOM 806 CB LEU A 50 18.869 -20.967 -13.907 1.00 1.20 C ATOM 807 CG LEU A 50 19.210 -21.757 -12.643 1.00 62.54 C ATOM 808 CD1 LEU A 50 20.029 -20.906 -11.686 1.00 23.12 C ATOM 809 CD2 LEU A 50 17.941 -22.254 -11.966 1.00 61.12 C ATOM 0 H LEU A 50 19.373 -23.061 -15.264 1.00 5.24 H new ATOM 0 HA LEU A 50 19.744 -20.195 -15.713 1.00 51.00 H new ATOM 0 HB2 LEU A 50 18.736 -19.921 -13.632 1.00 1.20 H new ATOM 0 HB3 LEU A 50 17.910 -21.322 -14.285 1.00 1.20 H new ATOM 0 HG LEU A 50 19.808 -22.622 -12.929 1.00 62.54 H new ATOM 0 HD11 LEU A 50 20.262 -21.485 -10.792 1.00 23.12 H new ATOM 0 HD12 LEU A 50 20.955 -20.601 -12.172 1.00 23.12 H new ATOM 0 HD13 LEU A 50 19.458 -20.021 -11.406 1.00 23.12 H new ATOM 0 HD21 LEU A 50 18.203 -22.814 -11.068 1.00 61.12 H new ATOM 0 HD22 LEU A 50 17.317 -21.403 -11.694 1.00 61.12 H new ATOM 0 HD23 LEU A 50 17.393 -22.901 -12.651 1.00 61.12 H new ATOM 821 N ILE A 51 21.923 -22.124 -14.278 1.00 74.21 N ATOM 822 CA ILE A 51 23.277 -22.188 -13.743 1.00 41.44 C ATOM 823 C ILE A 51 24.242 -21.367 -14.592 1.00 63.35 C ATOM 824 O ILE A 51 25.223 -20.824 -14.086 1.00 63.24 O ATOM 825 CB ILE A 51 23.785 -23.640 -13.667 1.00 51.42 C ATOM 826 CG1 ILE A 51 23.132 -24.370 -12.492 1.00 21.21 C ATOM 827 CG2 ILE A 51 25.301 -23.665 -13.537 1.00 54.54 C ATOM 828 CD1 ILE A 51 22.982 -25.859 -12.714 1.00 4.00 C ATOM 0 H ILE A 51 21.507 -23.033 -14.482 1.00 74.21 H new ATOM 0 HA ILE A 51 23.239 -21.773 -12.736 1.00 41.44 H new ATOM 0 HB ILE A 51 23.511 -24.154 -14.588 1.00 51.42 H new ATOM 0 HG12 ILE A 51 23.728 -24.203 -11.595 1.00 21.21 H new ATOM 0 HG13 ILE A 51 22.149 -23.937 -12.307 1.00 21.21 H new ATOM 0 HG21 ILE A 51 25.645 -24.698 -13.484 1.00 54.54 H new ATOM 0 HG22 ILE A 51 25.749 -23.177 -14.403 1.00 54.54 H new ATOM 0 HG23 ILE A 51 25.597 -23.138 -12.630 1.00 54.54 H new ATOM 0 HD11 ILE A 51 22.512 -26.312 -11.841 1.00 4.00 H new ATOM 0 HD12 ILE A 51 22.361 -26.035 -13.593 1.00 4.00 H new ATOM 0 HD13 ILE A 51 23.965 -26.305 -12.869 1.00 4.00 H new ATOM 840 N GLY A 52 23.955 -21.280 -15.888 1.00 24.31 N ATOM 841 CA GLY A 52 24.806 -20.523 -16.787 1.00 3.21 C ATOM 842 C GLY A 52 24.698 -19.027 -16.565 1.00 24.23 C ATOM 843 O GLY A 52 25.466 -18.251 -17.134 1.00 30.31 O ATOM 0 H GLY A 52 23.148 -21.720 -16.331 1.00 24.31 H new ATOM 0 HA2 GLY A 52 25.842 -20.834 -16.650 1.00 3.21 H new ATOM 0 HA3 GLY A 52 24.538 -20.755 -17.818 1.00 3.21 H new ATOM 847 N SER A 53 23.742 -18.621 -15.736 1.00 30.12 N ATOM 848 CA SER A 53 23.533 -17.208 -15.444 1.00 54.21 C ATOM 849 C SER A 53 24.339 -16.780 -14.221 1.00 73.33 C ATOM 850 O SER A 53 24.805 -15.644 -14.137 1.00 32.02 O ATOM 851 CB SER A 53 22.046 -16.928 -15.213 1.00 5.32 C ATOM 852 OG SER A 53 21.654 -17.306 -13.905 1.00 33.31 O ATOM 0 H SER A 53 23.100 -19.251 -15.255 1.00 30.12 H new ATOM 0 HA SER A 53 23.875 -16.631 -16.303 1.00 54.21 H new ATOM 0 HB2 SER A 53 21.844 -15.868 -15.364 1.00 5.32 H new ATOM 0 HB3 SER A 53 21.452 -17.473 -15.946 1.00 5.32 H new ATOM 0 HG SER A 53 21.940 -18.227 -13.731 1.00 33.31 H new ATOM 858 N VAL A 54 24.499 -17.700 -13.275 1.00 13.12 N ATOM 859 CA VAL A 54 25.249 -17.420 -12.056 1.00 70.23 C ATOM 860 C VAL A 54 26.713 -17.815 -12.210 1.00 24.23 C ATOM 861 O VAL A 54 27.595 -17.225 -11.585 1.00 50.33 O ATOM 862 CB VAL A 54 24.652 -18.164 -10.847 1.00 1.34 C ATOM 863 CG1 VAL A 54 25.262 -17.652 -9.551 1.00 2.32 C ATOM 864 CG2 VAL A 54 23.138 -18.018 -10.827 1.00 30.54 C ATOM 0 H VAL A 54 24.120 -18.645 -13.329 1.00 13.12 H new ATOM 0 HA VAL A 54 25.182 -16.346 -11.881 1.00 70.23 H new ATOM 0 HB VAL A 54 24.891 -19.223 -10.940 1.00 1.34 H new ATOM 0 HG11 VAL A 54 24.828 -18.189 -8.708 1.00 2.32 H new ATOM 0 HG12 VAL A 54 26.340 -17.813 -9.568 1.00 2.32 H new ATOM 0 HG13 VAL A 54 25.056 -16.587 -9.448 1.00 2.32 H new ATOM 0 HG21 VAL A 54 22.733 -18.550 -9.966 1.00 30.54 H new ATOM 0 HG22 VAL A 54 22.875 -16.962 -10.758 1.00 30.54 H new ATOM 0 HG23 VAL A 54 22.720 -18.437 -11.742 1.00 30.54 H new ATOM 874 N ASP A 55 26.966 -18.817 -13.045 1.00 13.01 N ATOM 875 CA ASP A 55 28.324 -19.291 -13.282 1.00 43.34 C ATOM 876 C ASP A 55 29.225 -18.149 -13.744 1.00 30.22 C ATOM 877 O ASP A 55 30.427 -18.146 -13.475 1.00 55.05 O ATOM 878 CB ASP A 55 28.322 -20.409 -14.326 1.00 3.02 C ATOM 879 CG ASP A 55 29.615 -21.200 -14.329 1.00 23.42 C ATOM 880 OD1 ASP A 55 30.526 -20.852 -13.549 1.00 13.52 O ATOM 881 OD2 ASP A 55 29.717 -22.168 -15.112 1.00 23.11 O ATOM 0 H ASP A 55 26.248 -19.317 -13.569 1.00 13.01 H new ATOM 0 HA ASP A 55 28.715 -19.682 -12.343 1.00 43.34 H new ATOM 0 HB2 ASP A 55 27.488 -21.083 -14.131 1.00 3.02 H new ATOM 0 HB3 ASP A 55 28.160 -19.979 -15.314 1.00 3.02 H new ATOM 886 N ASP A 56 28.637 -17.183 -14.440 1.00 14.43 N ATOM 887 CA ASP A 56 29.386 -16.035 -14.939 1.00 34.21 C ATOM 888 C ASP A 56 29.623 -15.017 -13.828 1.00 41.55 C ATOM 889 O ASP A 56 30.579 -14.241 -13.877 1.00 21.34 O ATOM 890 CB ASP A 56 28.638 -15.378 -16.100 1.00 45.52 C ATOM 891 CG ASP A 56 29.040 -15.950 -17.445 1.00 73.42 C ATOM 892 OD1 ASP A 56 29.796 -16.944 -17.466 1.00 23.15 O ATOM 893 OD2 ASP A 56 28.597 -15.406 -18.478 1.00 14.44 O ATOM 0 H ASP A 56 27.644 -17.171 -14.672 1.00 14.43 H new ATOM 0 HA ASP A 56 30.354 -16.389 -15.295 1.00 34.21 H new ATOM 0 HB2 ASP A 56 27.565 -15.510 -15.958 1.00 45.52 H new ATOM 0 HB3 ASP A 56 28.831 -14.305 -16.092 1.00 45.52 H new ATOM 898 N LEU A 57 28.747 -15.023 -12.830 1.00 0.31 N ATOM 899 CA LEU A 57 28.860 -14.098 -11.707 1.00 63.30 C ATOM 900 C LEU A 57 29.785 -14.659 -10.631 1.00 71.12 C ATOM 901 O LEU A 57 30.218 -13.938 -9.731 1.00 54.45 O ATOM 902 CB LEU A 57 27.480 -13.816 -11.112 1.00 54.43 C ATOM 903 CG LEU A 57 27.257 -12.402 -10.574 1.00 5.15 C ATOM 904 CD1 LEU A 57 26.943 -11.441 -11.710 1.00 22.04 C ATOM 905 CD2 LEU A 57 26.139 -12.394 -9.541 1.00 65.22 C ATOM 0 H LEU A 57 27.950 -15.658 -12.775 1.00 0.31 H new ATOM 0 HA LEU A 57 29.286 -13.166 -12.078 1.00 63.30 H new ATOM 0 HB2 LEU A 57 26.729 -14.015 -11.877 1.00 54.43 H new ATOM 0 HB3 LEU A 57 27.304 -14.523 -10.302 1.00 54.43 H new ATOM 0 HG LEU A 57 28.175 -12.070 -10.089 1.00 5.15 H new ATOM 0 HD11 LEU A 57 26.787 -10.440 -11.307 1.00 22.04 H new ATOM 0 HD12 LEU A 57 27.776 -11.424 -12.413 1.00 22.04 H new ATOM 0 HD13 LEU A 57 26.040 -11.769 -12.225 1.00 22.04 H new ATOM 0 HD21 LEU A 57 25.994 -11.380 -9.169 1.00 65.22 H new ATOM 0 HD22 LEU A 57 25.216 -12.747 -10.001 1.00 65.22 H new ATOM 0 HD23 LEU A 57 26.405 -13.050 -8.712 1.00 65.22 H new ATOM 917 N LEU A 58 30.086 -15.949 -10.731 1.00 34.21 N ATOM 918 CA LEU A 58 30.961 -16.607 -9.768 1.00 24.25 C ATOM 919 C LEU A 58 32.256 -15.822 -9.584 1.00 21.05 C ATOM 920 O LEU A 58 32.583 -15.364 -8.488 1.00 71.05 O ATOM 921 CB LEU A 58 31.277 -18.032 -10.225 1.00 75.35 C ATOM 922 CG LEU A 58 30.728 -19.157 -9.346 1.00 5.31 C ATOM 923 CD1 LEU A 58 31.118 -20.514 -9.911 1.00 34.04 C ATOM 924 CD2 LEU A 58 31.229 -19.008 -7.917 1.00 23.03 C ATOM 0 H LEU A 58 29.737 -16.560 -11.469 1.00 34.21 H new ATOM 0 HA LEU A 58 30.441 -16.646 -8.811 1.00 24.25 H new ATOM 0 HB2 LEU A 58 30.887 -18.163 -11.234 1.00 75.35 H new ATOM 0 HB3 LEU A 58 32.360 -18.141 -10.285 1.00 75.35 H new ATOM 0 HG LEU A 58 29.640 -19.089 -9.338 1.00 5.31 H new ATOM 0 HD11 LEU A 58 30.719 -21.302 -9.273 1.00 34.04 H new ATOM 0 HD12 LEU A 58 30.711 -20.620 -10.916 1.00 34.04 H new ATOM 0 HD13 LEU A 58 32.204 -20.594 -9.949 1.00 34.04 H new ATOM 0 HD21 LEU A 58 30.829 -19.816 -7.305 1.00 23.03 H new ATOM 0 HD22 LEU A 58 32.318 -19.050 -7.907 1.00 23.03 H new ATOM 0 HD23 LEU A 58 30.899 -18.051 -7.514 1.00 23.03 H new ATOM 936 N PRO A 59 33.011 -15.660 -10.680 1.00 41.03 N ATOM 937 CA PRO A 59 34.281 -14.927 -10.666 1.00 72.41 C ATOM 938 C PRO A 59 34.083 -13.429 -10.461 1.00 65.41 C ATOM 939 O PRO A 59 35.045 -12.690 -10.251 1.00 60.01 O ATOM 940 CB PRO A 59 34.866 -15.205 -12.053 1.00 51.10 C ATOM 941 CG PRO A 59 33.684 -15.498 -12.911 1.00 71.21 C ATOM 942 CD PRO A 59 32.683 -16.179 -12.019 1.00 1.22 C ATOM 0 HA PRO A 59 34.925 -15.243 -9.846 1.00 72.41 H new ATOM 0 HB2 PRO A 59 35.423 -14.346 -12.427 1.00 51.10 H new ATOM 0 HB3 PRO A 59 35.557 -16.048 -12.030 1.00 51.10 H new ATOM 0 HG2 PRO A 59 33.271 -14.582 -13.333 1.00 71.21 H new ATOM 0 HG3 PRO A 59 33.959 -16.138 -13.749 1.00 71.21 H new ATOM 0 HD2 PRO A 59 31.660 -15.936 -12.305 1.00 1.22 H new ATOM 0 HD3 PRO A 59 32.777 -17.264 -12.064 1.00 1.22 H new ATOM 950 N SER A 60 32.831 -12.988 -10.523 1.00 22.10 N ATOM 951 CA SER A 60 32.508 -11.577 -10.347 1.00 44.14 C ATOM 952 C SER A 60 32.043 -11.300 -8.921 1.00 42.51 C ATOM 953 O SER A 60 31.683 -10.172 -8.581 1.00 41.42 O ATOM 954 CB SER A 60 31.425 -11.152 -11.341 1.00 23.21 C ATOM 955 OG SER A 60 31.215 -9.752 -11.298 1.00 41.52 O ATOM 0 H SER A 60 32.024 -13.587 -10.694 1.00 22.10 H new ATOM 0 HA SER A 60 33.411 -10.997 -10.535 1.00 44.14 H new ATOM 0 HB2 SER A 60 31.715 -11.449 -12.349 1.00 23.21 H new ATOM 0 HB3 SER A 60 30.494 -11.670 -11.112 1.00 23.21 H new ATOM 0 HG SER A 60 31.286 -9.439 -10.372 1.00 41.52 H new ATOM 961 N LEU A 61 32.053 -12.336 -8.090 1.00 62.03 N ATOM 962 CA LEU A 61 31.632 -12.206 -6.700 1.00 5.15 C ATOM 963 C LEU A 61 32.838 -12.058 -5.777 1.00 45.04 C ATOM 964 O LEU A 61 33.966 -12.407 -6.128 1.00 52.14 O ATOM 965 CB LEU A 61 30.802 -13.421 -6.281 1.00 44.24 C ATOM 966 CG LEU A 61 29.302 -13.182 -6.112 1.00 75.34 C ATOM 967 CD1 LEU A 61 28.617 -13.106 -7.468 1.00 42.54 C ATOM 968 CD2 LEU A 61 28.680 -14.279 -5.261 1.00 32.34 C ATOM 0 H LEU A 61 32.348 -13.276 -8.355 1.00 62.03 H new ATOM 0 HA LEU A 61 31.019 -11.308 -6.615 1.00 5.15 H new ATOM 0 HB2 LEU A 61 30.943 -14.206 -7.024 1.00 44.24 H new ATOM 0 HB3 LEU A 61 31.198 -13.799 -5.338 1.00 44.24 H new ATOM 0 HG LEU A 61 29.161 -12.229 -5.602 1.00 75.34 H new ATOM 0 HD11 LEU A 61 27.550 -12.935 -7.327 1.00 42.54 H new ATOM 0 HD12 LEU A 61 29.043 -12.285 -8.045 1.00 42.54 H new ATOM 0 HD13 LEU A 61 28.767 -14.043 -8.005 1.00 42.54 H new ATOM 0 HD21 LEU A 61 27.612 -14.093 -5.151 1.00 32.34 H new ATOM 0 HD22 LEU A 61 28.832 -15.244 -5.744 1.00 32.34 H new ATOM 0 HD23 LEU A 61 29.150 -14.287 -4.278 1.00 32.34 H new ATOM 980 N PRO A 62 32.598 -11.530 -4.568 1.00 72.20 N ATOM 981 CA PRO A 62 33.651 -11.327 -3.569 1.00 43.32 C ATOM 982 C PRO A 62 34.172 -12.642 -3.000 1.00 1.12 C ATOM 983 O PRO A 62 33.842 -13.719 -3.497 1.00 11.51 O ATOM 984 CB PRO A 62 32.953 -10.511 -2.478 1.00 50.03 C ATOM 985 CG PRO A 62 31.509 -10.852 -2.616 1.00 3.20 C ATOM 986 CD PRO A 62 31.279 -11.092 -4.082 1.00 55.14 C ATOM 0 HA PRO A 62 34.526 -10.835 -3.994 1.00 43.32 H new ATOM 0 HB2 PRO A 62 33.328 -10.771 -1.488 1.00 50.03 H new ATOM 0 HB3 PRO A 62 33.122 -9.443 -2.613 1.00 50.03 H new ATOM 0 HG2 PRO A 62 31.260 -11.738 -2.032 1.00 3.20 H new ATOM 0 HG3 PRO A 62 30.880 -10.041 -2.250 1.00 3.20 H new ATOM 0 HD2 PRO A 62 30.516 -11.852 -4.250 1.00 55.14 H new ATOM 0 HD3 PRO A 62 30.944 -10.187 -4.589 1.00 55.14 H new ATOM 994 N SER A 63 34.987 -12.547 -1.954 1.00 64.23 N ATOM 995 CA SER A 63 35.557 -13.730 -1.319 1.00 75.12 C ATOM 996 C SER A 63 34.750 -14.126 -0.086 1.00 41.20 C ATOM 997 O SER A 63 35.298 -14.272 1.007 1.00 54.23 O ATOM 998 CB SER A 63 37.014 -13.474 -0.929 1.00 74.33 C ATOM 999 OG SER A 63 37.124 -12.342 -0.085 1.00 2.24 O ATOM 0 H SER A 63 35.267 -11.663 -1.528 1.00 64.23 H new ATOM 0 HA SER A 63 35.520 -14.551 -2.035 1.00 75.12 H new ATOM 0 HB2 SER A 63 37.417 -14.350 -0.422 1.00 74.33 H new ATOM 0 HB3 SER A 63 37.613 -13.322 -1.827 1.00 74.33 H new ATOM 0 HG SER A 63 36.676 -12.525 0.767 1.00 2.24 H new ATOM 1005 N SER A 64 33.445 -14.298 -0.270 1.00 40.33 N ATOM 1006 CA SER A 64 32.561 -14.673 0.827 1.00 11.30 C ATOM 1007 C SER A 64 31.344 -15.433 0.309 1.00 50.13 C ATOM 1008 O SER A 64 30.973 -16.475 0.849 1.00 62.25 O ATOM 1009 CB SER A 64 32.110 -13.428 1.595 1.00 62.52 C ATOM 1010 OG SER A 64 31.334 -13.781 2.727 1.00 64.10 O ATOM 0 H SER A 64 32.976 -14.184 -1.169 1.00 40.33 H new ATOM 0 HA SER A 64 33.116 -15.326 1.501 1.00 11.30 H new ATOM 0 HB2 SER A 64 32.982 -12.856 1.912 1.00 62.52 H new ATOM 0 HB3 SER A 64 31.528 -12.782 0.938 1.00 62.52 H new ATOM 0 HG SER A 64 31.059 -12.969 3.202 1.00 64.10 H new ATOM 1016 N SER A 65 30.727 -14.903 -0.742 1.00 54.14 N ATOM 1017 CA SER A 65 29.549 -15.528 -1.333 1.00 31.34 C ATOM 1018 C SER A 65 29.915 -16.281 -2.608 1.00 22.31 C ATOM 1019 O SER A 65 29.063 -16.533 -3.460 1.00 11.12 O ATOM 1020 CB SER A 65 28.484 -14.473 -1.638 1.00 20.11 C ATOM 1021 OG SER A 65 27.763 -14.123 -0.469 1.00 44.32 O ATOM 0 H SER A 65 31.023 -14.042 -1.202 1.00 54.14 H new ATOM 0 HA SER A 65 29.148 -16.241 -0.613 1.00 31.34 H new ATOM 0 HB2 SER A 65 28.957 -13.585 -2.057 1.00 20.11 H new ATOM 0 HB3 SER A 65 27.796 -14.854 -2.393 1.00 20.11 H new ATOM 0 HG SER A 65 27.090 -13.446 -0.690 1.00 44.32 H new ATOM 1027 N ARG A 66 31.189 -16.638 -2.731 1.00 65.14 N ATOM 1028 CA ARG A 66 31.670 -17.361 -3.903 1.00 23.25 C ATOM 1029 C ARG A 66 31.491 -18.866 -3.724 1.00 25.04 C ATOM 1030 O ARG A 66 31.065 -19.566 -4.643 1.00 42.20 O ATOM 1031 CB ARG A 66 33.144 -17.039 -4.158 1.00 53.31 C ATOM 1032 CG ARG A 66 33.755 -17.843 -5.294 1.00 50.40 C ATOM 1033 CD ARG A 66 35.257 -17.622 -5.387 1.00 73.13 C ATOM 1034 NE ARG A 66 35.948 -18.787 -5.934 1.00 51.41 N ATOM 1035 CZ ARG A 66 37.268 -18.930 -5.921 1.00 64.44 C ATOM 1036 NH1 ARG A 66 38.036 -17.988 -5.392 1.00 41.11 N ATOM 1037 NH2 ARG A 66 37.823 -20.019 -6.438 1.00 65.15 N ATOM 0 H ARG A 66 31.907 -16.439 -2.034 1.00 65.14 H new ATOM 0 HA ARG A 66 31.081 -17.042 -4.763 1.00 23.25 H new ATOM 0 HB2 ARG A 66 33.242 -15.977 -4.382 1.00 53.31 H new ATOM 0 HB3 ARG A 66 33.711 -17.226 -3.246 1.00 53.31 H new ATOM 0 HG2 ARG A 66 33.551 -18.903 -5.142 1.00 50.40 H new ATOM 0 HG3 ARG A 66 33.285 -17.559 -6.236 1.00 50.40 H new ATOM 0 HD2 ARG A 66 35.458 -16.754 -6.015 1.00 73.13 H new ATOM 0 HD3 ARG A 66 35.653 -17.398 -4.396 1.00 73.13 H new ATOM 0 HE ARG A 66 35.386 -19.531 -6.348 1.00 51.41 H new ATOM 0 HH11 ARG A 66 37.613 -17.150 -4.993 1.00 41.11 H new ATOM 0 HH12 ARG A 66 39.050 -18.101 -5.384 1.00 41.11 H new ATOM 0 HH21 ARG A 66 37.236 -20.746 -6.846 1.00 65.15 H new ATOM 0 HH22 ARG A 66 38.837 -20.129 -6.428 1.00 65.15 H new ATOM 1051 N THR A 67 31.821 -19.359 -2.533 1.00 52.35 N ATOM 1052 CA THR A 67 31.699 -20.780 -2.234 1.00 54.31 C ATOM 1053 C THR A 67 30.247 -21.238 -2.324 1.00 3.44 C ATOM 1054 O THR A 67 29.970 -22.390 -2.656 1.00 4.42 O ATOM 1055 CB THR A 67 32.243 -21.107 -0.831 1.00 14.04 C ATOM 1056 OG1 THR A 67 33.386 -20.293 -0.546 1.00 53.32 O ATOM 1057 CG2 THR A 67 32.622 -22.576 -0.726 1.00 71.54 C ATOM 0 H THR A 67 32.175 -18.794 -1.761 1.00 52.35 H new ATOM 0 HA THR A 67 32.292 -21.312 -2.978 1.00 54.31 H new ATOM 0 HB THR A 67 31.458 -20.898 -0.104 1.00 14.04 H new ATOM 0 HG1 THR A 67 33.725 -20.506 0.349 1.00 53.32 H new ATOM 0 HG21 THR A 67 33.004 -22.783 0.274 1.00 71.54 H new ATOM 0 HG22 THR A 67 31.743 -23.193 -0.914 1.00 71.54 H new ATOM 0 HG23 THR A 67 33.391 -22.807 -1.463 1.00 71.54 H new ATOM 1065 N GLU A 68 29.325 -20.328 -2.026 1.00 0.23 N ATOM 1066 CA GLU A 68 27.901 -20.640 -2.073 1.00 25.20 C ATOM 1067 C GLU A 68 27.493 -21.107 -3.467 1.00 60.31 C ATOM 1068 O GLU A 68 27.009 -22.226 -3.641 1.00 73.01 O ATOM 1069 CB GLU A 68 27.075 -19.417 -1.670 1.00 74.43 C ATOM 1070 CG GLU A 68 26.748 -19.365 -0.187 1.00 75.34 C ATOM 1071 CD GLU A 68 25.703 -20.388 0.216 1.00 62.10 C ATOM 1072 OE1 GLU A 68 25.386 -21.270 -0.609 1.00 60.10 O ATOM 1073 OE2 GLU A 68 25.203 -20.306 1.358 1.00 65.23 O ATOM 0 H GLU A 68 29.538 -19.370 -1.750 1.00 0.23 H new ATOM 0 HA GLU A 68 27.708 -21.448 -1.367 1.00 25.20 H new ATOM 0 HB2 GLU A 68 27.620 -18.514 -1.945 1.00 74.43 H new ATOM 0 HB3 GLU A 68 26.145 -19.414 -2.239 1.00 74.43 H new ATOM 0 HG2 GLU A 68 27.658 -19.535 0.388 1.00 75.34 H new ATOM 0 HG3 GLU A 68 26.391 -18.367 0.068 1.00 75.34 H new ATOM 1080 N ILE A 69 27.691 -20.242 -4.456 1.00 64.51 N ATOM 1081 CA ILE A 69 27.345 -20.566 -5.834 1.00 74.14 C ATOM 1082 C ILE A 69 28.153 -21.756 -6.340 1.00 31.33 C ATOM 1083 O ILE A 69 27.593 -22.735 -6.832 1.00 53.24 O ATOM 1084 CB ILE A 69 27.579 -19.366 -6.771 1.00 1.04 C ATOM 1085 CG1 ILE A 69 26.718 -18.178 -6.337 1.00 42.45 C ATOM 1086 CG2 ILE A 69 27.275 -19.750 -8.211 1.00 32.42 C ATOM 1087 CD1 ILE A 69 27.341 -16.835 -6.648 1.00 44.24 C ATOM 0 H ILE A 69 28.089 -19.312 -4.328 1.00 64.51 H new ATOM 0 HA ILE A 69 26.285 -20.821 -5.840 1.00 74.14 H new ATOM 0 HB ILE A 69 28.627 -19.074 -6.708 1.00 1.04 H new ATOM 0 HG12 ILE A 69 25.748 -18.243 -6.831 1.00 42.45 H new ATOM 0 HG13 ILE A 69 26.535 -18.245 -5.265 1.00 42.45 H new ATOM 0 HG21 ILE A 69 27.445 -18.891 -8.860 1.00 32.42 H new ATOM 0 HG22 ILE A 69 27.927 -20.569 -8.514 1.00 32.42 H new ATOM 0 HG23 ILE A 69 26.235 -20.065 -8.292 1.00 32.42 H new ATOM 0 HD11 ILE A 69 26.676 -16.039 -6.313 1.00 44.24 H new ATOM 0 HD12 ILE A 69 28.298 -16.750 -6.133 1.00 44.24 H new ATOM 0 HD13 ILE A 69 27.499 -16.747 -7.723 1.00 44.24 H new ATOM 1099 N GLU A 70 29.473 -21.665 -6.212 1.00 21.30 N ATOM 1100 CA GLU A 70 30.358 -22.736 -6.655 1.00 43.22 C ATOM 1101 C GLU A 70 29.954 -24.069 -6.032 1.00 43.02 C ATOM 1102 O GLU A 70 30.192 -25.132 -6.605 1.00 15.40 O ATOM 1103 CB GLU A 70 31.809 -22.410 -6.294 1.00 22.51 C ATOM 1104 CG GLU A 70 32.820 -22.938 -7.299 1.00 14.22 C ATOM 1105 CD GLU A 70 34.162 -23.252 -6.667 1.00 14.13 C ATOM 1106 OE1 GLU A 70 34.299 -24.346 -6.080 1.00 13.23 O ATOM 1107 OE2 GLU A 70 35.074 -22.405 -6.758 1.00 42.44 O ATOM 0 H GLU A 70 29.953 -20.862 -5.806 1.00 21.30 H new ATOM 0 HA GLU A 70 30.271 -22.820 -7.738 1.00 43.22 H new ATOM 0 HB2 GLU A 70 31.920 -21.329 -6.213 1.00 22.51 H new ATOM 0 HB3 GLU A 70 32.033 -22.828 -5.312 1.00 22.51 H new ATOM 0 HG2 GLU A 70 32.424 -23.839 -7.768 1.00 14.22 H new ATOM 0 HG3 GLU A 70 32.959 -22.201 -8.090 1.00 14.22 H new ATOM 1114 N GLY A 71 29.342 -24.004 -4.853 1.00 43.55 N ATOM 1115 CA GLY A 71 28.916 -25.211 -4.171 1.00 75.22 C ATOM 1116 C GLY A 71 27.450 -25.521 -4.404 1.00 21.42 C ATOM 1117 O GLY A 71 26.968 -26.594 -4.037 1.00 2.33 O ATOM 0 H GLY A 71 29.134 -23.136 -4.359 1.00 43.55 H new ATOM 0 HA2 GLY A 71 29.521 -26.051 -4.513 1.00 75.22 H new ATOM 0 HA3 GLY A 71 29.096 -25.103 -3.101 1.00 75.22 H new ATOM 1121 N THR A 72 26.737 -24.580 -5.015 1.00 21.15 N ATOM 1122 CA THR A 72 25.317 -24.757 -5.293 1.00 5.30 C ATOM 1123 C THR A 72 25.094 -25.261 -6.714 1.00 45.12 C ATOM 1124 O THR A 72 24.407 -26.259 -6.927 1.00 23.41 O ATOM 1125 CB THR A 72 24.539 -23.442 -5.099 1.00 1.21 C ATOM 1126 OG1 THR A 72 24.551 -23.065 -3.718 1.00 4.54 O ATOM 1127 CG2 THR A 72 23.102 -23.588 -5.577 1.00 44.31 C ATOM 0 H THR A 72 27.120 -23.687 -5.327 1.00 21.15 H new ATOM 0 HA THR A 72 24.946 -25.498 -4.585 1.00 5.30 H new ATOM 0 HB THR A 72 25.026 -22.667 -5.691 1.00 1.21 H new ATOM 0 HG1 THR A 72 25.364 -22.553 -3.526 1.00 4.54 H new ATOM 0 HG21 THR A 72 22.572 -22.647 -5.430 1.00 44.31 H new ATOM 0 HG22 THR A 72 23.095 -23.847 -6.636 1.00 44.31 H new ATOM 0 HG23 THR A 72 22.608 -24.375 -5.008 1.00 44.31 H new ATOM 1135 N GLN A 73 25.680 -24.564 -7.683 1.00 21.41 N ATOM 1136 CA GLN A 73 25.544 -24.943 -9.084 1.00 44.15 C ATOM 1137 C GLN A 73 26.039 -26.367 -9.314 1.00 64.01 C ATOM 1138 O GLN A 73 25.646 -27.025 -10.278 1.00 45.40 O ATOM 1139 CB GLN A 73 26.321 -23.971 -9.975 1.00 14.24 C ATOM 1140 CG GLN A 73 26.060 -22.509 -9.650 1.00 43.43 C ATOM 1141 CD GLN A 73 24.641 -22.259 -9.181 1.00 54.32 C ATOM 1142 OE1 GLN A 73 24.390 -22.087 -7.988 1.00 11.11 O ATOM 1143 NE2 GLN A 73 23.702 -22.237 -10.120 1.00 52.21 N ATOM 0 H GLN A 73 26.253 -23.735 -7.523 1.00 21.41 H new ATOM 0 HA GLN A 73 24.487 -24.899 -9.345 1.00 44.15 H new ATOM 0 HB2 GLN A 73 27.388 -24.172 -9.875 1.00 14.24 H new ATOM 0 HB3 GLN A 73 26.058 -24.156 -11.017 1.00 14.24 H new ATOM 0 HG2 GLN A 73 26.756 -22.183 -8.878 1.00 43.43 H new ATOM 0 HG3 GLN A 73 26.258 -21.903 -10.534 1.00 43.43 H new ATOM 0 HE21 GLN A 73 23.954 -22.384 -11.097 1.00 52.21 H new ATOM 0 HE22 GLN A 73 22.728 -22.073 -9.864 1.00 52.21 H new ATOM 1152 N LYS A 74 26.905 -26.838 -8.423 1.00 35.34 N ATOM 1153 CA LYS A 74 27.454 -28.185 -8.526 1.00 74.14 C ATOM 1154 C LYS A 74 26.484 -29.214 -7.953 1.00 50.41 C ATOM 1155 O LYS A 74 26.306 -30.295 -8.515 1.00 52.15 O ATOM 1156 CB LYS A 74 28.795 -28.269 -7.794 1.00 33.10 C ATOM 1157 CG LYS A 74 28.708 -27.905 -6.322 1.00 34.52 C ATOM 1158 CD LYS A 74 28.615 -29.144 -5.446 1.00 44.31 C ATOM 1159 CE LYS A 74 29.464 -29.004 -4.192 1.00 11.55 C ATOM 1160 NZ LYS A 74 29.795 -30.327 -3.595 1.00 32.21 N ATOM 0 H LYS A 74 27.242 -26.306 -7.621 1.00 35.34 H new ATOM 0 HA LYS A 74 27.609 -28.407 -9.582 1.00 74.14 H new ATOM 0 HB2 LYS A 74 29.187 -29.282 -7.887 1.00 33.10 H new ATOM 0 HB3 LYS A 74 29.508 -27.605 -8.282 1.00 33.10 H new ATOM 0 HG2 LYS A 74 29.584 -27.322 -6.038 1.00 34.52 H new ATOM 0 HG3 LYS A 74 27.836 -27.273 -6.153 1.00 34.52 H new ATOM 0 HD2 LYS A 74 27.576 -29.316 -5.166 1.00 44.31 H new ATOM 0 HD3 LYS A 74 28.941 -30.017 -6.012 1.00 44.31 H new ATOM 0 HE2 LYS A 74 30.385 -28.475 -4.435 1.00 11.55 H new ATOM 0 HE3 LYS A 74 28.932 -28.398 -3.459 1.00 11.55 H new ATOM 0 HZ1 LYS A 74 30.374 -30.188 -2.743 1.00 32.21 H new ATOM 0 HZ2 LYS A 74 28.917 -30.822 -3.340 1.00 32.21 H new ATOM 0 HZ3 LYS A 74 30.325 -30.896 -4.285 1.00 32.21 H new ATOM 1174 N LEU A 75 25.859 -28.870 -6.833 1.00 33.04 N ATOM 1175 CA LEU A 75 24.905 -29.763 -6.184 1.00 21.32 C ATOM 1176 C LEU A 75 23.554 -29.723 -6.890 1.00 71.43 C ATOM 1177 O LEU A 75 22.711 -30.599 -6.692 1.00 21.55 O ATOM 1178 CB LEU A 75 24.736 -29.379 -4.713 1.00 31.22 C ATOM 1179 CG LEU A 75 23.630 -28.369 -4.406 1.00 1.40 C ATOM 1180 CD1 LEU A 75 22.314 -29.082 -4.140 1.00 33.23 C ATOM 1181 CD2 LEU A 75 24.017 -27.499 -3.219 1.00 0.32 C ATOM 0 H LEU A 75 25.995 -27.979 -6.355 1.00 33.04 H new ATOM 0 HA LEU A 75 25.296 -30.779 -6.245 1.00 21.32 H new ATOM 0 HB2 LEU A 75 24.541 -30.286 -4.141 1.00 31.22 H new ATOM 0 HB3 LEU A 75 25.681 -28.973 -4.353 1.00 31.22 H new ATOM 0 HG LEU A 75 23.501 -27.725 -5.276 1.00 1.40 H new ATOM 0 HD11 LEU A 75 21.539 -28.347 -3.923 1.00 33.23 H new ATOM 0 HD12 LEU A 75 22.030 -29.661 -5.019 1.00 33.23 H new ATOM 0 HD13 LEU A 75 22.428 -29.751 -3.287 1.00 33.23 H new ATOM 0 HD21 LEU A 75 23.218 -26.786 -3.015 1.00 0.32 H new ATOM 0 HD22 LEU A 75 24.175 -28.128 -2.343 1.00 0.32 H new ATOM 0 HD23 LEU A 75 24.936 -26.959 -3.448 1.00 0.32 H new ATOM 1193 N LEU A 76 23.355 -28.703 -7.717 1.00 74.13 N ATOM 1194 CA LEU A 76 22.106 -28.550 -8.456 1.00 41.32 C ATOM 1195 C LEU A 76 21.888 -29.723 -9.406 1.00 32.21 C ATOM 1196 O LEU A 76 20.761 -30.004 -9.812 1.00 61.30 O ATOM 1197 CB LEU A 76 22.114 -27.237 -9.242 1.00 73.41 C ATOM 1198 CG LEU A 76 20.895 -26.334 -9.051 1.00 41.41 C ATOM 1199 CD1 LEU A 76 20.696 -26.010 -7.579 1.00 4.25 C ATOM 1200 CD2 LEU A 76 21.046 -25.056 -9.864 1.00 73.34 C ATOM 0 H LEU A 76 24.042 -27.970 -7.893 1.00 74.13 H new ATOM 0 HA LEU A 76 21.287 -28.532 -7.737 1.00 41.32 H new ATOM 0 HB2 LEU A 76 23.005 -26.675 -8.963 1.00 73.41 H new ATOM 0 HB3 LEU A 76 22.205 -27.472 -10.302 1.00 73.41 H new ATOM 0 HG LEU A 76 20.013 -26.866 -9.407 1.00 41.41 H new ATOM 0 HD11 LEU A 76 19.824 -25.366 -7.463 1.00 4.25 H new ATOM 0 HD12 LEU A 76 20.543 -26.933 -7.021 1.00 4.25 H new ATOM 0 HD13 LEU A 76 21.579 -25.497 -7.197 1.00 4.25 H new ATOM 0 HD21 LEU A 76 20.170 -24.425 -9.716 1.00 73.34 H new ATOM 0 HD22 LEU A 76 21.938 -24.521 -9.538 1.00 73.34 H new ATOM 0 HD23 LEU A 76 21.139 -25.306 -10.921 1.00 73.34 H new ATOM 1212 N ASN A 77 22.974 -30.406 -9.754 1.00 53.00 N ATOM 1213 CA ASN A 77 22.901 -31.551 -10.655 1.00 14.33 C ATOM 1214 C ASN A 77 22.866 -32.859 -9.870 1.00 55.22 C ATOM 1215 O ASN A 77 22.884 -33.945 -10.450 1.00 44.43 O ATOM 1216 CB ASN A 77 24.094 -31.549 -11.613 1.00 33.44 C ATOM 1217 CG ASN A 77 23.883 -30.627 -12.797 1.00 53.35 C ATOM 1218 OD1 ASN A 77 23.120 -30.937 -13.712 1.00 74.32 O ATOM 1219 ND2 ASN A 77 24.560 -29.485 -12.786 1.00 5.31 N ATOM 0 H ASN A 77 23.915 -30.187 -9.426 1.00 53.00 H new ATOM 0 HA ASN A 77 21.980 -31.470 -11.232 1.00 14.33 H new ATOM 0 HB2 ASN A 77 24.990 -31.243 -11.073 1.00 33.44 H new ATOM 0 HB3 ASN A 77 24.270 -32.563 -11.972 1.00 33.44 H new ATOM 0 HD21 ASN A 77 24.458 -28.824 -13.556 1.00 5.31 H new ATOM 0 HD22 ASN A 77 25.182 -29.268 -12.007 1.00 5.31 H new ATOM 1226 N LYS A 78 22.814 -32.748 -8.547 1.00 52.52 N ATOM 1227 CA LYS A 78 22.774 -33.920 -7.681 1.00 50.13 C ATOM 1228 C LYS A 78 21.389 -34.095 -7.066 1.00 62.32 C ATOM 1229 O LYS A 78 21.010 -35.198 -6.672 1.00 72.20 O ATOM 1230 CB LYS A 78 23.824 -33.798 -6.574 1.00 54.23 C ATOM 1231 CG LYS A 78 25.221 -33.503 -7.091 1.00 62.41 C ATOM 1232 CD LYS A 78 26.273 -33.741 -6.020 1.00 40.45 C ATOM 1233 CE LYS A 78 26.562 -35.223 -5.841 1.00 73.25 C ATOM 1234 NZ LYS A 78 27.302 -35.496 -4.578 1.00 52.33 N ATOM 0 H LYS A 78 22.799 -31.857 -8.051 1.00 52.52 H new ATOM 0 HA LYS A 78 22.996 -34.797 -8.288 1.00 50.13 H new ATOM 0 HB2 LYS A 78 23.525 -33.006 -5.887 1.00 54.23 H new ATOM 0 HB3 LYS A 78 23.846 -34.725 -6.002 1.00 54.23 H new ATOM 0 HG2 LYS A 78 25.431 -34.133 -7.955 1.00 62.41 H new ATOM 0 HG3 LYS A 78 25.274 -32.469 -7.431 1.00 62.41 H new ATOM 0 HD2 LYS A 78 27.192 -33.220 -6.289 1.00 40.45 H new ATOM 0 HD3 LYS A 78 25.933 -33.319 -5.074 1.00 40.45 H new ATOM 0 HE2 LYS A 78 25.624 -35.778 -5.839 1.00 73.25 H new ATOM 0 HE3 LYS A 78 27.145 -35.584 -6.688 1.00 73.25 H new ATOM 0 HZ1 LYS A 78 27.479 -36.517 -4.493 1.00 52.33 H new ATOM 0 HZ2 LYS A 78 28.209 -34.987 -4.590 1.00 52.33 H new ATOM 0 HZ3 LYS A 78 26.735 -35.175 -3.767 1.00 52.33 H new ATOM 1248 N ASP A 79 20.639 -33.002 -6.989 1.00 14.03 N ATOM 1249 CA ASP A 79 19.295 -33.036 -6.424 1.00 55.30 C ATOM 1250 C ASP A 79 18.356 -33.857 -7.303 1.00 43.10 C ATOM 1251 O ASP A 79 17.309 -34.319 -6.849 1.00 32.40 O ATOM 1252 CB ASP A 79 18.750 -31.616 -6.263 1.00 41.51 C ATOM 1253 CG ASP A 79 19.432 -30.858 -5.141 1.00 44.32 C ATOM 1254 OD1 ASP A 79 19.944 -31.512 -4.209 1.00 60.21 O ATOM 1255 OD2 ASP A 79 19.454 -29.610 -5.195 1.00 12.11 O ATOM 0 H ASP A 79 20.938 -32.081 -7.311 1.00 14.03 H new ATOM 0 HA ASP A 79 19.352 -33.509 -5.443 1.00 55.30 H new ATOM 0 HB2 ASP A 79 18.881 -31.071 -7.198 1.00 41.51 H new ATOM 0 HB3 ASP A 79 17.678 -31.661 -6.068 1.00 41.51 H new ATOM 1260 N LEU A 80 18.738 -34.033 -8.563 1.00 71.41 N ATOM 1261 CA LEU A 80 17.930 -34.798 -9.507 1.00 63.12 C ATOM 1262 C LEU A 80 18.587 -36.138 -9.825 1.00 40.44 C ATOM 1263 O LEU A 80 17.954 -37.034 -10.382 1.00 52.34 O ATOM 1264 CB LEU A 80 17.724 -34.000 -10.795 1.00 54.35 C ATOM 1265 CG LEU A 80 18.892 -33.114 -11.231 1.00 73.53 C ATOM 1266 CD1 LEU A 80 20.153 -33.945 -11.411 1.00 72.11 C ATOM 1267 CD2 LEU A 80 18.550 -32.375 -12.517 1.00 30.32 C ATOM 0 H LEU A 80 19.601 -33.657 -8.955 1.00 71.41 H new ATOM 0 HA LEU A 80 16.961 -34.990 -9.046 1.00 63.12 H new ATOM 0 HB2 LEU A 80 17.505 -34.700 -11.601 1.00 54.35 H new ATOM 0 HB3 LEU A 80 16.843 -33.370 -10.671 1.00 54.35 H new ATOM 0 HG LEU A 80 19.075 -32.376 -10.450 1.00 73.53 H new ATOM 0 HD11 LEU A 80 20.974 -33.298 -11.721 1.00 72.11 H new ATOM 0 HD12 LEU A 80 20.408 -34.428 -10.468 1.00 72.11 H new ATOM 0 HD13 LEU A 80 19.982 -34.705 -12.173 1.00 72.11 H new ATOM 0 HD21 LEU A 80 19.392 -31.750 -12.812 1.00 30.32 H new ATOM 0 HD22 LEU A 80 18.340 -33.097 -13.306 1.00 30.32 H new ATOM 0 HD23 LEU A 80 17.673 -31.749 -12.355 1.00 30.32 H new ATOM 1279 N ALA A 81 19.860 -36.267 -9.466 1.00 11.02 N ATOM 1280 CA ALA A 81 20.601 -37.498 -9.709 1.00 60.30 C ATOM 1281 C ALA A 81 19.901 -38.695 -9.075 1.00 33.15 C ATOM 1282 O ALA A 81 19.949 -39.805 -9.603 1.00 24.32 O ATOM 1283 CB ALA A 81 22.021 -37.373 -9.178 1.00 44.00 C ATOM 0 H ALA A 81 20.399 -35.534 -9.006 1.00 11.02 H new ATOM 0 HA ALA A 81 20.640 -37.662 -10.786 1.00 60.30 H new ATOM 0 HB1 ALA A 81 22.563 -38.300 -9.366 1.00 44.00 H new ATOM 0 HB2 ALA A 81 22.526 -36.549 -9.681 1.00 44.00 H new ATOM 0 HB3 ALA A 81 21.993 -37.181 -8.105 1.00 44.00 H new ATOM 1289 N GLU A 82 19.251 -38.461 -7.939 1.00 12.13 N ATOM 1290 CA GLU A 82 18.542 -39.522 -7.232 1.00 40.53 C ATOM 1291 C GLU A 82 17.104 -39.640 -7.729 1.00 42.24 C ATOM 1292 O GLU A 82 16.512 -40.719 -7.699 1.00 74.35 O ATOM 1293 CB GLU A 82 18.552 -39.256 -5.725 1.00 60.14 C ATOM 1294 CG GLU A 82 19.896 -39.525 -5.069 1.00 12.30 C ATOM 1295 CD GLU A 82 20.070 -40.977 -4.671 1.00 25.34 C ATOM 1296 OE1 GLU A 82 19.320 -41.830 -5.189 1.00 41.15 O ATOM 1297 OE2 GLU A 82 20.959 -41.261 -3.839 1.00 75.25 O ATOM 0 H GLU A 82 19.201 -37.547 -7.489 1.00 12.13 H new ATOM 0 HA GLU A 82 19.056 -40.463 -7.431 1.00 40.53 H new ATOM 0 HB2 GLU A 82 18.271 -38.218 -5.546 1.00 60.14 H new ATOM 0 HB3 GLU A 82 17.794 -39.878 -5.250 1.00 60.14 H new ATOM 0 HG2 GLU A 82 20.694 -39.242 -5.755 1.00 12.30 H new ATOM 0 HG3 GLU A 82 19.997 -38.895 -4.185 1.00 12.30 H new ATOM 1304 N LEU A 83 16.549 -38.523 -8.186 1.00 14.22 N ATOM 1305 CA LEU A 83 15.180 -38.499 -8.689 1.00 73.54 C ATOM 1306 C LEU A 83 15.069 -39.270 -10.001 1.00 32.51 C ATOM 1307 O LEU A 83 14.295 -40.223 -10.109 1.00 4.42 O ATOM 1308 CB LEU A 83 14.714 -37.056 -8.892 1.00 64.41 C ATOM 1309 CG LEU A 83 13.501 -36.864 -9.802 1.00 34.11 C ATOM 1310 CD1 LEU A 83 12.357 -37.767 -9.365 1.00 5.11 C ATOM 1311 CD2 LEU A 83 13.061 -35.407 -9.804 1.00 21.21 C ATOM 0 H LEU A 83 17.026 -37.622 -8.219 1.00 14.22 H new ATOM 0 HA LEU A 83 14.540 -38.980 -7.950 1.00 73.54 H new ATOM 0 HB2 LEU A 83 14.482 -36.630 -7.916 1.00 64.41 H new ATOM 0 HB3 LEU A 83 15.545 -36.481 -9.301 1.00 64.41 H new ATOM 0 HG LEU A 83 13.786 -37.139 -10.818 1.00 34.11 H new ATOM 0 HD11 LEU A 83 11.502 -37.616 -10.024 1.00 5.11 H new ATOM 0 HD12 LEU A 83 12.676 -38.808 -9.416 1.00 5.11 H new ATOM 0 HD13 LEU A 83 12.073 -37.524 -8.341 1.00 5.11 H new ATOM 0 HD21 LEU A 83 12.196 -35.289 -10.457 1.00 21.21 H new ATOM 0 HD22 LEU A 83 12.794 -35.106 -8.791 1.00 21.21 H new ATOM 0 HD23 LEU A 83 13.877 -34.781 -10.165 1.00 21.21 H new ATOM 1323 N ILE A 84 15.848 -38.854 -10.994 1.00 34.14 N ATOM 1324 CA ILE A 84 15.839 -39.508 -12.296 1.00 51.24 C ATOM 1325 C ILE A 84 16.060 -41.010 -12.159 1.00 20.41 C ATOM 1326 O ILE A 84 15.473 -41.804 -12.893 1.00 41.01 O ATOM 1327 CB ILE A 84 16.919 -38.924 -13.226 1.00 61.32 C ATOM 1328 CG1 ILE A 84 16.676 -37.431 -13.452 1.00 3.44 C ATOM 1329 CG2 ILE A 84 16.935 -39.670 -14.552 1.00 44.24 C ATOM 1330 CD1 ILE A 84 17.949 -36.629 -13.610 1.00 1.42 C ATOM 0 H ILE A 84 16.493 -38.067 -10.921 1.00 34.14 H new ATOM 0 HA ILE A 84 14.857 -39.327 -12.733 1.00 51.24 H new ATOM 0 HB ILE A 84 17.892 -39.046 -12.750 1.00 61.32 H new ATOM 0 HG12 ILE A 84 16.062 -37.302 -14.343 1.00 3.44 H new ATOM 0 HG13 ILE A 84 16.107 -37.032 -12.612 1.00 3.44 H new ATOM 0 HG21 ILE A 84 17.703 -39.246 -15.199 1.00 44.24 H new ATOM 0 HG22 ILE A 84 17.151 -40.723 -14.374 1.00 44.24 H new ATOM 0 HG23 ILE A 84 15.962 -39.576 -15.034 1.00 44.24 H new ATOM 0 HD11 ILE A 84 17.701 -35.579 -13.767 1.00 1.42 H new ATOM 0 HD12 ILE A 84 18.555 -36.728 -12.710 1.00 1.42 H new ATOM 0 HD13 ILE A 84 18.510 -37.001 -14.468 1.00 1.42 H new ATOM 1342 N ASN A 85 16.910 -41.394 -11.212 1.00 12.34 N ATOM 1343 CA ASN A 85 17.208 -42.802 -10.976 1.00 52.24 C ATOM 1344 C ASN A 85 15.955 -43.559 -10.547 1.00 13.45 C ATOM 1345 O ASN A 85 15.721 -44.689 -10.975 1.00 55.21 O ATOM 1346 CB ASN A 85 18.294 -42.943 -9.908 1.00 61.22 C ATOM 1347 CG ASN A 85 19.692 -42.868 -10.492 1.00 31.33 C ATOM 1348 OD1 ASN A 85 19.912 -41.904 -11.378 1.00 3.50 O flip ATOM 1349 ND2 ASN A 85 20.563 -43.668 -10.149 1.00 72.42 N flip ATOM 0 H ASN A 85 17.405 -40.749 -10.595 1.00 12.34 H new ATOM 0 HA ASN A 85 17.569 -43.233 -11.910 1.00 52.24 H new ATOM 0 HB2 ASN A 85 18.172 -42.157 -9.163 1.00 61.22 H new ATOM 0 HB3 ASN A 85 18.170 -43.894 -9.391 1.00 61.22 H new ATOM 0 HD21 ASN A 85 20.348 -44.393 -9.464 1.00 72.42 H new ATOM 0 HD22 ASN A 85 21.499 -43.606 -10.549 1.00 72.42 H new ATOM 1356 N LYS A 86 15.151 -42.927 -9.697 1.00 63.41 N ATOM 1357 CA LYS A 86 13.920 -43.539 -9.210 1.00 5.54 C ATOM 1358 C LYS A 86 12.814 -43.441 -10.255 1.00 33.34 C ATOM 1359 O LYS A 86 11.811 -44.150 -10.177 1.00 74.14 O ATOM 1360 CB LYS A 86 13.471 -42.864 -7.911 1.00 64.13 C ATOM 1361 CG LYS A 86 12.928 -43.835 -6.878 1.00 22.44 C ATOM 1362 CD LYS A 86 14.010 -44.775 -6.372 1.00 45.41 C ATOM 1363 CE LYS A 86 13.649 -45.363 -5.017 1.00 4.12 C ATOM 1364 NZ LYS A 86 14.831 -45.967 -4.342 1.00 4.45 N ATOM 0 H LYS A 86 15.330 -41.992 -9.332 1.00 63.41 H new ATOM 0 HA LYS A 86 14.119 -44.593 -9.015 1.00 5.54 H new ATOM 0 HB2 LYS A 86 14.315 -42.324 -7.482 1.00 64.13 H new ATOM 0 HB3 LYS A 86 12.704 -42.125 -8.142 1.00 64.13 H new ATOM 0 HG2 LYS A 86 12.507 -43.279 -6.040 1.00 22.44 H new ATOM 0 HG3 LYS A 86 12.116 -44.416 -7.315 1.00 22.44 H new ATOM 0 HD2 LYS A 86 14.159 -45.580 -7.091 1.00 45.41 H new ATOM 0 HD3 LYS A 86 14.955 -44.237 -6.296 1.00 45.41 H new ATOM 0 HE2 LYS A 86 13.228 -44.583 -4.383 1.00 4.12 H new ATOM 0 HE3 LYS A 86 12.877 -46.121 -5.144 1.00 4.12 H new ATOM 0 HZ1 LYS A 86 14.544 -46.357 -3.422 1.00 4.45 H new ATOM 0 HZ2 LYS A 86 15.218 -46.729 -4.935 1.00 4.45 H new ATOM 0 HZ3 LYS A 86 15.558 -45.238 -4.197 1.00 4.45 H new ATOM 1378 N MET A 87 13.004 -42.560 -11.231 1.00 71.33 N ATOM 1379 CA MET A 87 12.022 -42.373 -12.293 1.00 61.22 C ATOM 1380 C MET A 87 12.005 -43.573 -13.235 1.00 51.11 C ATOM 1381 O MET A 87 10.948 -44.139 -13.515 1.00 50.44 O ATOM 1382 CB MET A 87 12.327 -41.097 -13.080 1.00 12.23 C ATOM 1383 CG MET A 87 11.388 -40.867 -14.253 1.00 32.22 C ATOM 1384 SD MET A 87 9.803 -40.170 -13.748 1.00 45.22 S ATOM 1385 CE MET A 87 8.852 -41.661 -13.465 1.00 40.34 C ATOM 0 H MET A 87 13.828 -41.964 -11.309 1.00 71.33 H new ATOM 0 HA MET A 87 11.039 -42.281 -11.832 1.00 61.22 H new ATOM 0 HB2 MET A 87 12.270 -40.242 -12.406 1.00 12.23 H new ATOM 0 HB3 MET A 87 13.352 -41.144 -13.449 1.00 12.23 H new ATOM 0 HG2 MET A 87 11.864 -40.196 -14.968 1.00 32.22 H new ATOM 0 HG3 MET A 87 11.217 -41.813 -14.768 1.00 32.22 H new ATOM 0 HE1 MET A 87 7.797 -41.461 -13.654 1.00 40.34 H new ATOM 0 HE2 MET A 87 9.198 -42.447 -14.137 1.00 40.34 H new ATOM 0 HE3 MET A 87 8.981 -41.984 -12.432 1.00 40.34 H new ATOM 1395 N ARG A 88 13.181 -43.955 -13.721 1.00 24.44 N ATOM 1396 CA ARG A 88 13.300 -45.087 -14.632 1.00 44.02 C ATOM 1397 C ARG A 88 13.150 -46.407 -13.882 1.00 72.44 C ATOM 1398 O ARG A 88 12.973 -47.463 -14.492 1.00 21.12 O ATOM 1399 CB ARG A 88 14.649 -45.049 -15.353 1.00 41.43 C ATOM 1400 CG ARG A 88 15.841 -45.204 -14.424 1.00 24.04 C ATOM 1401 CD ARG A 88 17.087 -45.635 -15.182 1.00 72.41 C ATOM 1402 NE ARG A 88 17.143 -47.083 -15.364 1.00 74.34 N ATOM 1403 CZ ARG A 88 18.209 -47.725 -15.829 1.00 30.03 C ATOM 1404 NH1 ARG A 88 19.303 -47.050 -16.156 1.00 35.44 N ATOM 1405 NH2 ARG A 88 18.183 -49.045 -15.966 1.00 51.54 N ATOM 0 H ARG A 88 14.065 -43.497 -13.499 1.00 24.44 H new ATOM 0 HA ARG A 88 12.499 -45.014 -15.368 1.00 44.02 H new ATOM 0 HB2 ARG A 88 14.675 -45.843 -16.099 1.00 41.43 H new ATOM 0 HB3 ARG A 88 14.738 -44.104 -15.890 1.00 41.43 H new ATOM 0 HG2 ARG A 88 16.032 -44.259 -13.915 1.00 24.04 H new ATOM 0 HG3 ARG A 88 15.610 -45.940 -13.654 1.00 24.04 H new ATOM 0 HD2 ARG A 88 17.106 -45.146 -16.156 1.00 72.41 H new ATOM 0 HD3 ARG A 88 17.973 -45.303 -14.641 1.00 72.41 H new ATOM 0 HE ARG A 88 16.318 -47.632 -15.121 1.00 74.34 H new ATOM 0 HH11 ARG A 88 19.327 -46.036 -16.051 1.00 35.44 H new ATOM 0 HH12 ARG A 88 20.120 -47.545 -16.513 1.00 35.44 H new ATOM 0 HH21 ARG A 88 17.344 -49.567 -15.714 1.00 51.54 H new ATOM 0 HH22 ARG A 88 19.002 -49.537 -16.323 1.00 51.54 H new ATOM 1419 N LEU A 89 13.221 -46.341 -12.558 1.00 3.24 N ATOM 1420 CA LEU A 89 13.093 -47.531 -11.724 1.00 4.13 C ATOM 1421 C LEU A 89 11.673 -47.668 -11.184 1.00 43.31 C ATOM 1422 O LEU A 89 11.251 -48.754 -10.789 1.00 11.22 O ATOM 1423 CB LEU A 89 14.089 -47.474 -10.564 1.00 33.25 C ATOM 1424 CG LEU A 89 13.966 -48.584 -9.519 1.00 20.20 C ATOM 1425 CD1 LEU A 89 14.309 -49.933 -10.131 1.00 70.41 C ATOM 1426 CD2 LEU A 89 14.864 -48.294 -8.325 1.00 32.51 C ATOM 0 H LEU A 89 13.367 -45.476 -12.038 1.00 3.24 H new ATOM 0 HA LEU A 89 13.312 -48.402 -12.341 1.00 4.13 H new ATOM 0 HB2 LEU A 89 15.098 -47.500 -10.976 1.00 33.25 H new ATOM 0 HB3 LEU A 89 13.975 -46.514 -10.060 1.00 33.25 H new ATOM 0 HG LEU A 89 12.933 -48.618 -9.172 1.00 20.20 H new ATOM 0 HD11 LEU A 89 14.216 -50.711 -9.373 1.00 70.41 H new ATOM 0 HD12 LEU A 89 13.625 -50.144 -10.953 1.00 70.41 H new ATOM 0 HD13 LEU A 89 15.332 -49.913 -10.506 1.00 70.41 H new ATOM 0 HD21 LEU A 89 14.764 -49.094 -7.592 1.00 32.51 H new ATOM 0 HD22 LEU A 89 15.901 -48.233 -8.656 1.00 32.51 H new ATOM 0 HD23 LEU A 89 14.572 -47.347 -7.871 1.00 32.51 H new ATOM 1438 N ALA A 90 10.941 -46.559 -11.173 1.00 53.10 N ATOM 1439 CA ALA A 90 9.567 -46.556 -10.686 1.00 53.04 C ATOM 1440 C ALA A 90 8.634 -47.251 -11.672 1.00 54.43 C ATOM 1441 O ALA A 90 7.753 -48.013 -11.275 1.00 11.32 O ATOM 1442 CB ALA A 90 9.101 -45.130 -10.430 1.00 74.53 C ATOM 0 H ALA A 90 11.276 -45.651 -11.496 1.00 53.10 H new ATOM 0 HA ALA A 90 9.539 -47.110 -9.747 1.00 53.04 H new ATOM 0 HB1 ALA A 90 8.073 -45.143 -10.067 1.00 74.53 H new ATOM 0 HB2 ALA A 90 9.744 -44.666 -9.683 1.00 74.53 H new ATOM 0 HB3 ALA A 90 9.151 -44.559 -11.357 1.00 74.53 H new ATOM 1448 N GLN A 91 8.833 -46.981 -12.959 1.00 32.54 N ATOM 1449 CA GLN A 91 8.007 -47.580 -14.001 1.00 22.44 C ATOM 1450 C GLN A 91 8.680 -48.819 -14.583 1.00 35.42 C ATOM 1451 O GLN A 91 8.468 -49.162 -15.746 1.00 24.13 O ATOM 1452 CB GLN A 91 7.734 -46.565 -15.111 1.00 51.50 C ATOM 1453 CG GLN A 91 8.929 -46.317 -16.017 1.00 63.21 C ATOM 1454 CD GLN A 91 9.226 -44.842 -16.203 1.00 33.15 C ATOM 1455 OE1 GLN A 91 10.379 -44.416 -16.137 1.00 41.15 O ATOM 1456 NE2 GLN A 91 8.183 -44.053 -16.435 1.00 63.24 N ATOM 0 H GLN A 91 9.558 -46.352 -13.304 1.00 32.54 H new ATOM 0 HA GLN A 91 7.060 -47.880 -13.552 1.00 22.44 H new ATOM 0 HB2 GLN A 91 6.897 -46.916 -15.715 1.00 51.50 H new ATOM 0 HB3 GLN A 91 7.428 -45.621 -14.661 1.00 51.50 H new ATOM 0 HG2 GLN A 91 9.806 -46.810 -15.598 1.00 63.21 H new ATOM 0 HG3 GLN A 91 8.743 -46.771 -16.990 1.00 63.21 H new ATOM 0 HE21 GLN A 91 7.244 -44.449 -16.482 1.00 63.24 H new ATOM 0 HE22 GLN A 91 8.321 -43.051 -16.567 1.00 63.24 H new ATOM 1465 N GLN A 92 9.489 -49.486 -13.767 1.00 4.15 N ATOM 1466 CA GLN A 92 10.193 -50.686 -14.202 1.00 63.31 C ATOM 1467 C GLN A 92 9.210 -51.804 -14.533 1.00 31.12 C ATOM 1468 O GLN A 92 8.081 -51.816 -14.043 1.00 25.20 O ATOM 1469 CB GLN A 92 11.168 -51.152 -13.119 1.00 63.45 C ATOM 1470 CG GLN A 92 12.625 -51.102 -13.551 1.00 22.35 C ATOM 1471 CD GLN A 92 13.412 -52.313 -13.089 1.00 63.11 C ATOM 1472 OE1 GLN A 92 14.184 -52.894 -13.852 1.00 45.24 O ATOM 1473 NE2 GLN A 92 13.221 -52.701 -11.834 1.00 15.24 N ATOM 0 H GLN A 92 9.673 -49.216 -12.801 1.00 4.15 H new ATOM 0 HA GLN A 92 10.753 -50.441 -15.104 1.00 63.31 H new ATOM 0 HB2 GLN A 92 11.039 -50.530 -12.233 1.00 63.45 H new ATOM 0 HB3 GLN A 92 10.918 -52.173 -12.831 1.00 63.45 H new ATOM 0 HG2 GLN A 92 12.676 -51.033 -14.638 1.00 22.35 H new ATOM 0 HG3 GLN A 92 13.088 -50.199 -13.152 1.00 22.35 H new ATOM 0 HE21 GLN A 92 12.572 -52.191 -11.236 1.00 15.24 H new ATOM 0 HE22 GLN A 92 13.724 -53.510 -11.468 1.00 15.24 H new ATOM 1482 N ASN A 93 9.646 -52.742 -15.367 1.00 44.14 N ATOM 1483 CA ASN A 93 8.804 -53.864 -15.764 1.00 72.05 C ATOM 1484 C ASN A 93 8.771 -54.932 -14.675 1.00 43.04 C ATOM 1485 O ASN A 93 9.403 -55.980 -14.801 1.00 61.51 O ATOM 1486 CB ASN A 93 9.310 -54.471 -17.074 1.00 45.24 C ATOM 1487 CG ASN A 93 9.288 -53.476 -18.219 1.00 74.42 C ATOM 1488 OD1 ASN A 93 10.333 -53.093 -18.744 1.00 2.32 O ATOM 1489 ND2 ASN A 93 8.091 -53.054 -18.612 1.00 5.22 N ATOM 0 H ASN A 93 10.578 -52.747 -15.781 1.00 44.14 H new ATOM 0 HA ASN A 93 7.791 -53.490 -15.912 1.00 72.05 H new ATOM 0 HB2 ASN A 93 10.327 -54.836 -16.933 1.00 45.24 H new ATOM 0 HB3 ASN A 93 8.695 -55.333 -17.333 1.00 45.24 H new ATOM 0 HD21 ASN A 93 8.012 -52.385 -19.378 1.00 5.22 H new ATOM 0 HD22 ASN A 93 7.251 -53.399 -18.147 1.00 5.22 H new ATOM 1496 N ALA A 94 8.030 -54.657 -13.607 1.00 70.51 N ATOM 1497 CA ALA A 94 7.913 -55.595 -12.497 1.00 74.13 C ATOM 1498 C ALA A 94 6.451 -55.851 -12.147 1.00 73.33 C ATOM 1499 O ALA A 94 5.579 -55.032 -12.438 1.00 43.32 O ATOM 1500 CB ALA A 94 8.664 -55.072 -11.282 1.00 43.34 C ATOM 0 H ALA A 94 7.502 -53.793 -13.487 1.00 70.51 H new ATOM 0 HA ALA A 94 8.357 -56.541 -12.805 1.00 74.13 H new ATOM 0 HB1 ALA A 94 8.568 -55.783 -10.461 1.00 43.34 H new ATOM 0 HB2 ALA A 94 9.718 -54.946 -11.532 1.00 43.34 H new ATOM 0 HB3 ALA A 94 8.246 -54.112 -10.981 1.00 43.34 H new ATOM 1506 N VAL A 95 6.188 -56.994 -11.522 1.00 22.44 N ATOM 1507 CA VAL A 95 4.831 -57.358 -11.132 1.00 23.44 C ATOM 1508 C VAL A 95 4.621 -57.171 -9.633 1.00 63.03 C ATOM 1509 O VAL A 95 3.499 -56.956 -9.174 1.00 0.21 O ATOM 1510 CB VAL A 95 4.513 -58.818 -11.505 1.00 34.41 C ATOM 1511 CG1 VAL A 95 5.366 -59.777 -10.689 1.00 1.14 C ATOM 1512 CG2 VAL A 95 3.032 -59.108 -11.306 1.00 5.31 C ATOM 0 H VAL A 95 6.897 -57.684 -11.275 1.00 22.44 H new ATOM 0 HA VAL A 95 4.157 -56.696 -11.676 1.00 23.44 H new ATOM 0 HB VAL A 95 4.751 -58.965 -12.558 1.00 34.41 H new ATOM 0 HG11 VAL A 95 5.127 -60.803 -10.967 1.00 1.14 H new ATOM 0 HG12 VAL A 95 6.420 -59.584 -10.886 1.00 1.14 H new ATOM 0 HG13 VAL A 95 5.163 -59.632 -9.628 1.00 1.14 H new ATOM 0 HG21 VAL A 95 2.825 -60.144 -11.574 1.00 5.31 H new ATOM 0 HG22 VAL A 95 2.766 -58.943 -10.262 1.00 5.31 H new ATOM 0 HG23 VAL A 95 2.443 -58.445 -11.939 1.00 5.31 H new ATOM 1522 N THR A 96 5.709 -57.254 -8.874 1.00 3.33 N ATOM 1523 CA THR A 96 5.645 -57.094 -7.426 1.00 50.15 C ATOM 1524 C THR A 96 5.062 -55.737 -7.048 1.00 72.25 C ATOM 1525 O THR A 96 4.999 -54.826 -7.874 1.00 32.21 O ATOM 1526 CB THR A 96 7.037 -57.239 -6.783 1.00 31.01 C ATOM 1527 OG1 THR A 96 6.945 -57.043 -5.367 1.00 40.04 O ATOM 1528 CG2 THR A 96 8.015 -56.236 -7.376 1.00 73.25 C ATOM 0 H THR A 96 6.645 -57.431 -9.238 1.00 3.33 H new ATOM 0 HA THR A 96 4.995 -57.883 -7.049 1.00 50.15 H new ATOM 0 HB THR A 96 7.404 -58.245 -6.988 1.00 31.01 H new ATOM 0 HG1 THR A 96 7.834 -57.138 -4.965 1.00 40.04 H new ATOM 0 HG21 THR A 96 8.991 -56.358 -6.906 1.00 73.25 H new ATOM 0 HG22 THR A 96 8.105 -56.406 -8.449 1.00 73.25 H new ATOM 0 HG23 THR A 96 7.651 -55.224 -7.199 1.00 73.25 H new ATOM 1536 N SER A 97 4.637 -55.609 -5.796 1.00 30.25 N ATOM 1537 CA SER A 97 4.056 -54.363 -5.309 1.00 33.51 C ATOM 1538 C SER A 97 5.096 -53.534 -4.562 1.00 52.01 C ATOM 1539 O SER A 97 4.760 -52.749 -3.674 1.00 22.32 O ATOM 1540 CB SER A 97 2.866 -54.655 -4.393 1.00 14.02 C ATOM 1541 OG SER A 97 1.761 -55.145 -5.132 1.00 72.34 O ATOM 0 H SER A 97 4.684 -56.353 -5.100 1.00 30.25 H new ATOM 0 HA SER A 97 3.711 -53.791 -6.170 1.00 33.51 H new ATOM 0 HB2 SER A 97 3.155 -55.386 -3.638 1.00 14.02 H new ATOM 0 HB3 SER A 97 2.579 -53.746 -3.864 1.00 14.02 H new ATOM 0 HG SER A 97 1.014 -55.325 -4.523 1.00 72.34 H new ATOM 1547 N LEU A 98 6.360 -53.713 -4.928 1.00 61.24 N ATOM 1548 CA LEU A 98 7.451 -52.982 -4.294 1.00 44.11 C ATOM 1549 C LEU A 98 7.575 -51.577 -4.874 1.00 13.50 C ATOM 1550 O LEU A 98 8.079 -50.665 -4.217 1.00 74.35 O ATOM 1551 CB LEU A 98 8.770 -53.737 -4.473 1.00 75.22 C ATOM 1552 CG LEU A 98 9.799 -53.565 -3.356 1.00 1.31 C ATOM 1553 CD1 LEU A 98 10.871 -54.640 -3.447 1.00 40.32 C ATOM 1554 CD2 LEU A 98 10.425 -52.179 -3.416 1.00 55.23 C ATOM 0 H LEU A 98 6.655 -54.358 -5.661 1.00 61.24 H new ATOM 0 HA LEU A 98 7.228 -52.898 -3.230 1.00 44.11 H new ATOM 0 HB2 LEU A 98 8.547 -54.799 -4.573 1.00 75.22 H new ATOM 0 HB3 LEU A 98 9.224 -53.417 -5.411 1.00 75.22 H new ATOM 0 HG LEU A 98 9.288 -53.670 -2.399 1.00 1.31 H new ATOM 0 HD11 LEU A 98 11.595 -54.501 -2.644 1.00 40.32 H new ATOM 0 HD12 LEU A 98 10.409 -55.623 -3.354 1.00 40.32 H new ATOM 0 HD13 LEU A 98 11.378 -54.567 -4.409 1.00 40.32 H new ATOM 0 HD21 LEU A 98 11.155 -52.074 -2.613 1.00 55.23 H new ATOM 0 HD22 LEU A 98 10.921 -52.045 -4.377 1.00 55.23 H new ATOM 0 HD23 LEU A 98 9.648 -51.423 -3.300 1.00 55.23 H new ATOM 1566 N SER A 99 7.109 -51.408 -6.108 1.00 1.15 N ATOM 1567 CA SER A 99 7.169 -50.114 -6.777 1.00 15.32 C ATOM 1568 C SER A 99 6.562 -49.021 -5.902 1.00 30.25 C ATOM 1569 O SER A 99 6.965 -47.861 -5.972 1.00 12.44 O ATOM 1570 CB SER A 99 6.434 -50.175 -8.118 1.00 25.03 C ATOM 1571 OG SER A 99 7.167 -50.931 -9.066 1.00 63.11 O ATOM 0 H SER A 99 6.686 -52.151 -6.664 1.00 1.15 H new ATOM 0 HA SER A 99 8.217 -49.873 -6.955 1.00 15.32 H new ATOM 0 HB2 SER A 99 5.449 -50.620 -7.977 1.00 25.03 H new ATOM 0 HB3 SER A 99 6.277 -49.165 -8.497 1.00 25.03 H new ATOM 0 HG SER A 99 6.676 -50.957 -9.914 1.00 63.11 H new ATOM 1577 N GLU A 100 5.591 -49.403 -5.078 1.00 13.42 N ATOM 1578 CA GLU A 100 4.928 -48.455 -4.189 1.00 74.43 C ATOM 1579 C GLU A 100 5.949 -47.671 -3.371 1.00 12.32 C ATOM 1580 O GLU A 100 5.844 -46.453 -3.232 1.00 52.44 O ATOM 1581 CB GLU A 100 3.963 -49.188 -3.255 1.00 21.35 C ATOM 1582 CG GLU A 100 2.927 -50.027 -3.984 1.00 41.44 C ATOM 1583 CD GLU A 100 1.652 -50.206 -3.183 1.00 41.34 C ATOM 1584 OE1 GLU A 100 1.612 -49.746 -2.023 1.00 31.12 O ATOM 1585 OE2 GLU A 100 0.695 -50.805 -3.716 1.00 62.24 O ATOM 0 H GLU A 100 5.246 -50.360 -5.007 1.00 13.42 H new ATOM 0 HA GLU A 100 4.365 -47.752 -4.803 1.00 74.43 H new ATOM 0 HB2 GLU A 100 4.536 -49.833 -2.588 1.00 21.35 H new ATOM 0 HB3 GLU A 100 3.451 -48.457 -2.629 1.00 21.35 H new ATOM 0 HG2 GLU A 100 2.689 -49.556 -4.938 1.00 41.44 H new ATOM 0 HG3 GLU A 100 3.351 -51.006 -4.209 1.00 41.44 H new ATOM 1592 N GLU A 101 6.936 -48.379 -2.830 1.00 54.04 N ATOM 1593 CA GLU A 101 7.975 -47.749 -2.024 1.00 53.14 C ATOM 1594 C GLU A 101 8.733 -46.702 -2.836 1.00 15.13 C ATOM 1595 O GLU A 101 8.980 -45.594 -2.361 1.00 51.45 O ATOM 1596 CB GLU A 101 8.949 -48.803 -1.494 1.00 42.23 C ATOM 1597 CG GLU A 101 10.179 -48.213 -0.825 1.00 11.51 C ATOM 1598 CD GLU A 101 11.156 -49.275 -0.358 1.00 54.44 C ATOM 1599 OE1 GLU A 101 11.075 -50.416 -0.858 1.00 32.22 O ATOM 1600 OE2 GLU A 101 12.001 -48.963 0.506 1.00 22.34 O ATOM 0 H GLU A 101 7.038 -49.388 -2.935 1.00 54.04 H new ATOM 0 HA GLU A 101 7.495 -47.252 -1.181 1.00 53.14 H new ATOM 0 HB2 GLU A 101 8.428 -49.441 -0.780 1.00 42.23 H new ATOM 0 HB3 GLU A 101 9.265 -49.441 -2.319 1.00 42.23 H new ATOM 0 HG2 GLU A 101 10.682 -47.544 -1.523 1.00 11.51 H new ATOM 0 HG3 GLU A 101 9.869 -47.609 0.028 1.00 11.51 H new ATOM 1607 N ALA A 102 9.099 -47.063 -4.061 1.00 54.33 N ATOM 1608 CA ALA A 102 9.827 -46.155 -4.939 1.00 74.13 C ATOM 1609 C ALA A 102 9.004 -44.908 -5.244 1.00 11.24 C ATOM 1610 O ALA A 102 9.553 -43.843 -5.528 1.00 71.12 O ATOM 1611 CB ALA A 102 10.211 -46.864 -6.230 1.00 31.04 C ATOM 0 H ALA A 102 8.904 -47.978 -4.468 1.00 54.33 H new ATOM 0 HA ALA A 102 10.735 -45.842 -4.424 1.00 74.13 H new ATOM 0 HB1 ALA A 102 10.754 -46.174 -6.876 1.00 31.04 H new ATOM 0 HB2 ALA A 102 10.844 -47.721 -6.000 1.00 31.04 H new ATOM 0 HB3 ALA A 102 9.310 -47.205 -6.740 1.00 31.04 H new ATOM 1617 N LYS A 103 7.684 -45.046 -5.183 1.00 32.04 N ATOM 1618 CA LYS A 103 6.784 -43.931 -5.451 1.00 10.40 C ATOM 1619 C LYS A 103 7.064 -42.766 -4.507 1.00 23.04 C ATOM 1620 O LYS A 103 7.445 -41.679 -4.942 1.00 63.41 O ATOM 1621 CB LYS A 103 5.327 -44.378 -5.308 1.00 4.30 C ATOM 1622 CG LYS A 103 4.384 -43.698 -6.285 1.00 72.11 C ATOM 1623 CD LYS A 103 4.177 -44.536 -7.535 1.00 62.35 C ATOM 1624 CE LYS A 103 5.313 -44.345 -8.529 1.00 23.24 C ATOM 1625 NZ LYS A 103 4.920 -44.752 -9.906 1.00 63.40 N ATOM 0 H LYS A 103 7.213 -45.920 -4.950 1.00 32.04 H new ATOM 0 HA LYS A 103 6.956 -43.596 -6.474 1.00 10.40 H new ATOM 0 HB2 LYS A 103 5.271 -45.457 -5.453 1.00 4.30 H new ATOM 0 HB3 LYS A 103 4.992 -44.175 -4.291 1.00 4.30 H new ATOM 0 HG2 LYS A 103 3.423 -43.521 -5.801 1.00 72.11 H new ATOM 0 HG3 LYS A 103 4.786 -42.723 -6.562 1.00 72.11 H new ATOM 0 HD2 LYS A 103 4.105 -45.589 -7.261 1.00 62.35 H new ATOM 0 HD3 LYS A 103 3.232 -44.264 -8.004 1.00 62.35 H new ATOM 0 HE2 LYS A 103 5.620 -43.299 -8.533 1.00 23.24 H new ATOM 0 HE3 LYS A 103 6.176 -44.929 -8.210 1.00 23.24 H new ATOM 0 HZ1 LYS A 103 5.400 -45.640 -10.156 1.00 63.40 H new ATOM 0 HZ2 LYS A 103 3.890 -44.892 -9.946 1.00 63.40 H new ATOM 0 HZ3 LYS A 103 5.194 -44.009 -10.579 1.00 63.40 H new ATOM 1639 N ARG A 104 6.875 -43.001 -3.212 1.00 53.23 N ATOM 1640 CA ARG A 104 7.108 -41.971 -2.207 1.00 34.11 C ATOM 1641 C ARG A 104 8.558 -41.498 -2.239 1.00 51.33 C ATOM 1642 O ARG A 104 8.833 -40.303 -2.129 1.00 71.32 O ATOM 1643 CB ARG A 104 6.764 -42.502 -0.814 1.00 2.53 C ATOM 1644 CG ARG A 104 7.484 -43.793 -0.459 1.00 53.41 C ATOM 1645 CD ARG A 104 7.022 -44.337 0.884 1.00 44.41 C ATOM 1646 NE ARG A 104 7.057 -43.317 1.929 1.00 44.23 N ATOM 1647 CZ ARG A 104 6.575 -43.502 3.153 1.00 45.13 C ATOM 1648 NH1 ARG A 104 6.025 -44.662 3.484 1.00 41.23 N ATOM 1649 NH2 ARG A 104 6.644 -42.526 4.049 1.00 41.53 N ATOM 0 H ARG A 104 6.561 -43.895 -2.835 1.00 53.23 H new ATOM 0 HA ARG A 104 6.463 -41.123 -2.435 1.00 34.11 H new ATOM 0 HB2 ARG A 104 7.012 -41.742 -0.073 1.00 2.53 H new ATOM 0 HB3 ARG A 104 5.688 -42.667 -0.753 1.00 2.53 H new ATOM 0 HG2 ARG A 104 7.304 -44.537 -1.235 1.00 53.41 H new ATOM 0 HG3 ARG A 104 8.559 -43.615 -0.431 1.00 53.41 H new ATOM 0 HD2 ARG A 104 6.007 -44.724 0.789 1.00 44.41 H new ATOM 0 HD3 ARG A 104 7.657 -45.175 1.174 1.00 44.41 H new ATOM 0 HE ARG A 104 7.474 -42.413 1.707 1.00 44.23 H new ATOM 0 HH11 ARG A 104 5.971 -45.415 2.798 1.00 41.23 H new ATOM 0 HH12 ARG A 104 5.656 -44.801 4.425 1.00 41.23 H new ATOM 0 HH21 ARG A 104 7.067 -41.633 3.798 1.00 41.53 H new ATOM 0 HH22 ARG A 104 6.274 -42.669 4.989 1.00 41.53 H new ATOM 1663 N GLN A 105 9.480 -42.443 -2.391 1.00 2.34 N ATOM 1664 CA GLN A 105 10.902 -42.122 -2.436 1.00 52.31 C ATOM 1665 C GLN A 105 11.224 -41.245 -3.642 1.00 14.12 C ATOM 1666 O GLN A 105 12.203 -40.500 -3.636 1.00 24.41 O ATOM 1667 CB GLN A 105 11.734 -43.404 -2.486 1.00 44.02 C ATOM 1668 CG GLN A 105 11.791 -44.145 -1.160 1.00 51.11 C ATOM 1669 CD GLN A 105 12.280 -43.270 -0.023 1.00 12.31 C ATOM 1670 OE1 GLN A 105 13.482 -43.160 0.219 1.00 62.40 O ATOM 1671 NE2 GLN A 105 11.348 -42.640 0.683 1.00 53.13 N ATOM 0 H GLN A 105 9.268 -43.436 -2.485 1.00 2.34 H new ATOM 0 HA GLN A 105 11.153 -41.569 -1.531 1.00 52.31 H new ATOM 0 HB2 GLN A 105 11.319 -44.067 -3.245 1.00 44.02 H new ATOM 0 HB3 GLN A 105 12.749 -43.157 -2.798 1.00 44.02 H new ATOM 0 HG2 GLN A 105 10.799 -44.527 -0.919 1.00 51.11 H new ATOM 0 HG3 GLN A 105 12.450 -45.008 -1.258 1.00 51.11 H new ATOM 0 HE21 GLN A 105 10.363 -42.759 0.448 1.00 53.13 H new ATOM 0 HE22 GLN A 105 11.618 -42.037 1.460 1.00 53.13 H new ATOM 1680 N MET A 106 10.392 -41.339 -4.674 1.00 63.24 N ATOM 1681 CA MET A 106 10.589 -40.553 -5.887 1.00 74.41 C ATOM 1682 C MET A 106 10.344 -39.072 -5.620 1.00 54.44 C ATOM 1683 O MET A 106 11.230 -38.240 -5.818 1.00 44.11 O ATOM 1684 CB MET A 106 9.656 -41.045 -6.996 1.00 32.14 C ATOM 1685 CG MET A 106 9.991 -40.481 -8.367 1.00 24.52 C ATOM 1686 SD MET A 106 9.388 -41.520 -9.711 1.00 64.54 S ATOM 1687 CE MET A 106 7.735 -41.895 -9.134 1.00 54.14 C ATOM 0 H MET A 106 9.576 -41.951 -4.695 1.00 63.24 H new ATOM 0 HA MET A 106 11.623 -40.680 -6.209 1.00 74.41 H new ATOM 0 HB2 MET A 106 9.699 -42.133 -7.040 1.00 32.14 H new ATOM 0 HB3 MET A 106 8.630 -40.776 -6.742 1.00 32.14 H new ATOM 0 HG2 MET A 106 9.559 -39.485 -8.461 1.00 24.52 H new ATOM 0 HG3 MET A 106 11.072 -40.370 -8.456 1.00 24.52 H new ATOM 0 HE1 MET A 106 7.110 -42.180 -9.980 1.00 54.14 H new ATOM 0 HE2 MET A 106 7.777 -42.718 -8.420 1.00 54.14 H new ATOM 0 HE3 MET A 106 7.311 -41.016 -8.649 1.00 54.14 H new ATOM 1697 N LEU A 107 9.136 -38.748 -5.171 1.00 42.21 N ATOM 1698 CA LEU A 107 8.774 -37.365 -4.877 1.00 65.44 C ATOM 1699 C LEU A 107 9.727 -36.760 -3.851 1.00 53.43 C ATOM 1700 O LEU A 107 9.895 -35.541 -3.787 1.00 31.33 O ATOM 1701 CB LEU A 107 7.336 -37.292 -4.361 1.00 65.40 C ATOM 1702 CG LEU A 107 6.952 -36.008 -3.625 1.00 71.41 C ATOM 1703 CD1 LEU A 107 5.491 -35.667 -3.875 1.00 42.13 C ATOM 1704 CD2 LEU A 107 7.221 -36.147 -2.134 1.00 22.31 C ATOM 0 H LEU A 107 8.391 -39.424 -5.003 1.00 42.21 H new ATOM 0 HA LEU A 107 8.851 -36.790 -5.800 1.00 65.44 H new ATOM 0 HB2 LEU A 107 6.661 -37.418 -5.207 1.00 65.40 H new ATOM 0 HB3 LEU A 107 7.168 -38.135 -3.691 1.00 65.40 H new ATOM 0 HG LEU A 107 7.566 -35.194 -4.010 1.00 71.41 H new ATOM 0 HD11 LEU A 107 5.235 -34.750 -3.344 1.00 42.13 H new ATOM 0 HD12 LEU A 107 5.328 -35.524 -4.943 1.00 42.13 H new ATOM 0 HD13 LEU A 107 4.861 -36.481 -3.518 1.00 42.13 H new ATOM 0 HD21 LEU A 107 6.942 -35.224 -1.626 1.00 22.31 H new ATOM 0 HD22 LEU A 107 6.633 -36.973 -1.734 1.00 22.31 H new ATOM 0 HD23 LEU A 107 8.281 -36.344 -1.972 1.00 22.31 H new ATOM 1716 N THR A 108 10.350 -37.619 -3.051 1.00 3.53 N ATOM 1717 CA THR A 108 11.287 -37.169 -2.028 1.00 54.13 C ATOM 1718 C THR A 108 12.554 -36.600 -2.656 1.00 1.14 C ATOM 1719 O THR A 108 13.294 -35.853 -2.015 1.00 73.52 O ATOM 1720 CB THR A 108 11.670 -38.316 -1.074 1.00 51.31 C ATOM 1721 OG1 THR A 108 10.489 -38.960 -0.584 1.00 30.51 O ATOM 1722 CG2 THR A 108 12.492 -37.795 0.095 1.00 11.11 C ATOM 0 H THR A 108 10.223 -38.630 -3.091 1.00 3.53 H new ATOM 0 HA THR A 108 10.784 -36.387 -1.460 1.00 54.13 H new ATOM 0 HB THR A 108 12.272 -39.036 -1.629 1.00 51.31 H new ATOM 0 HG1 THR A 108 10.172 -39.610 -1.245 1.00 30.51 H new ATOM 0 HG21 THR A 108 12.751 -38.623 0.755 1.00 11.11 H new ATOM 0 HG22 THR A 108 13.404 -37.331 -0.280 1.00 11.11 H new ATOM 0 HG23 THR A 108 11.911 -37.058 0.648 1.00 11.11 H new ATOM 1730 N ALA A 109 12.799 -36.957 -3.912 1.00 54.02 N ATOM 1731 CA ALA A 109 13.976 -36.479 -4.627 1.00 33.32 C ATOM 1732 C ALA A 109 13.646 -35.253 -5.471 1.00 15.24 C ATOM 1733 O ALA A 109 14.492 -34.383 -5.677 1.00 61.42 O ATOM 1734 CB ALA A 109 14.547 -37.586 -5.501 1.00 44.52 C ATOM 0 H ALA A 109 12.198 -37.576 -4.456 1.00 54.02 H new ATOM 0 HA ALA A 109 14.725 -36.189 -3.891 1.00 33.32 H new ATOM 0 HB1 ALA A 109 15.426 -37.216 -6.029 1.00 44.52 H new ATOM 0 HB2 ALA A 109 14.830 -38.433 -4.876 1.00 44.52 H new ATOM 0 HB3 ALA A 109 13.795 -37.903 -6.224 1.00 44.52 H new ATOM 1740 N SER A 110 12.410 -35.190 -5.956 1.00 51.35 N ATOM 1741 CA SER A 110 11.969 -34.071 -6.782 1.00 64.31 C ATOM 1742 C SER A 110 12.080 -32.755 -6.018 1.00 64.33 C ATOM 1743 O SER A 110 12.664 -31.787 -6.508 1.00 35.34 O ATOM 1744 CB SER A 110 10.526 -34.287 -7.242 1.00 43.02 C ATOM 1745 OG SER A 110 9.625 -34.204 -6.151 1.00 45.24 O ATOM 0 H SER A 110 11.696 -35.900 -5.792 1.00 51.35 H new ATOM 0 HA SER A 110 12.618 -34.019 -7.657 1.00 64.31 H new ATOM 0 HB2 SER A 110 10.264 -33.540 -7.991 1.00 43.02 H new ATOM 0 HB3 SER A 110 10.435 -35.263 -7.719 1.00 43.02 H new ATOM 0 HG SER A 110 9.915 -34.813 -5.440 1.00 45.24 H new ATOM 1751 N HIS A 111 11.516 -32.727 -4.815 1.00 22.41 N ATOM 1752 CA HIS A 111 11.552 -31.531 -3.982 1.00 14.24 C ATOM 1753 C HIS A 111 12.987 -31.059 -3.768 1.00 71.45 C ATOM 1754 O HIS A 111 13.235 -29.877 -3.528 1.00 73.23 O ATOM 1755 CB HIS A 111 10.886 -31.804 -2.632 1.00 43.42 C ATOM 1756 CG HIS A 111 10.703 -30.575 -1.795 1.00 63.04 C ATOM 1757 ND1 HIS A 111 10.549 -29.278 -2.149 1.00 51.13 N flip ATOM 1758 CD2 HIS A 111 10.665 -30.602 -0.417 1.00 43.34 C flip ATOM 1759 CE1 HIS A 111 10.421 -28.552 -0.991 1.00 4.52 C flip ATOM 1760 NE2 HIS A 111 10.493 -29.375 0.040 1.00 12.03 N flip ATOM 0 H HIS A 111 11.029 -33.519 -4.395 1.00 22.41 H new ATOM 0 HA HIS A 111 11.003 -30.743 -4.498 1.00 14.24 H new ATOM 0 HB2 HIS A 111 9.913 -32.266 -2.803 1.00 43.42 H new ATOM 0 HB3 HIS A 111 11.488 -32.524 -2.078 1.00 43.42 H new ATOM 0 HD2 HIS A 111 10.761 -31.488 0.193 1.00 43.34 H new ATOM 0 HE1 HIS A 111 10.284 -27.482 -0.932 1.00 4.52 H new ATOM 0 HE2 HIS A 111 10.427 -29.108 1.022 1.00 12.03 H new ATOM 1768 N THR A 112 13.930 -31.992 -3.857 1.00 44.11 N ATOM 1769 CA THR A 112 15.340 -31.673 -3.672 1.00 43.51 C ATOM 1770 C THR A 112 15.822 -30.681 -4.725 1.00 1.33 C ATOM 1771 O THR A 112 16.838 -30.008 -4.540 1.00 74.33 O ATOM 1772 CB THR A 112 16.216 -32.938 -3.737 1.00 21.04 C ATOM 1773 OG1 THR A 112 15.491 -34.062 -3.227 1.00 34.41 O ATOM 1774 CG2 THR A 112 17.497 -32.751 -2.938 1.00 44.44 C ATOM 0 H THR A 112 13.742 -32.975 -4.056 1.00 44.11 H new ATOM 0 HA THR A 112 15.435 -31.225 -2.683 1.00 43.51 H new ATOM 0 HB THR A 112 16.479 -33.118 -4.779 1.00 21.04 H new ATOM 0 HG1 THR A 112 16.120 -34.769 -2.973 1.00 34.41 H new ATOM 0 HG21 THR A 112 18.099 -33.657 -2.999 1.00 44.44 H new ATOM 0 HG22 THR A 112 18.061 -31.912 -3.346 1.00 44.44 H new ATOM 0 HG23 THR A 112 17.250 -32.549 -1.896 1.00 44.44 H new ATOM 1782 N LEU A 113 15.088 -30.593 -5.828 1.00 71.33 N ATOM 1783 CA LEU A 113 15.440 -29.682 -6.911 1.00 41.34 C ATOM 1784 C LEU A 113 14.971 -28.263 -6.604 1.00 20.33 C ATOM 1785 O LEU A 113 15.525 -27.291 -7.116 1.00 21.05 O ATOM 1786 CB LEU A 113 14.825 -30.160 -8.228 1.00 31.34 C ATOM 1787 CG LEU A 113 15.520 -31.343 -8.903 1.00 3.03 C ATOM 1788 CD1 LEU A 113 14.953 -32.658 -8.392 1.00 71.30 C ATOM 1789 CD2 LEU A 113 15.381 -31.251 -10.415 1.00 74.22 C ATOM 0 H LEU A 113 14.245 -31.142 -5.996 1.00 71.33 H new ATOM 0 HA LEU A 113 16.526 -29.674 -7.006 1.00 41.34 H new ATOM 0 HB2 LEU A 113 13.786 -30.432 -8.043 1.00 31.34 H new ATOM 0 HB3 LEU A 113 14.816 -29.323 -8.926 1.00 31.34 H new ATOM 0 HG LEU A 113 16.580 -31.308 -8.653 1.00 3.03 H new ATOM 0 HD11 LEU A 113 15.460 -33.488 -8.884 1.00 71.30 H new ATOM 0 HD12 LEU A 113 15.106 -32.726 -7.315 1.00 71.30 H new ATOM 0 HD13 LEU A 113 13.886 -32.704 -8.611 1.00 71.30 H new ATOM 0 HD21 LEU A 113 15.882 -32.101 -10.879 1.00 74.22 H new ATOM 0 HD22 LEU A 113 14.325 -31.260 -10.685 1.00 74.22 H new ATOM 0 HD23 LEU A 113 15.837 -30.325 -10.767 1.00 74.22 H new ATOM 1801 N ALA A 114 13.948 -28.153 -5.763 1.00 30.45 N ATOM 1802 CA ALA A 114 13.407 -26.854 -5.383 1.00 63.00 C ATOM 1803 C ALA A 114 14.003 -26.376 -4.063 1.00 42.34 C ATOM 1804 O ALA A 114 14.301 -25.193 -3.898 1.00 10.33 O ATOM 1805 CB ALA A 114 11.890 -26.922 -5.286 1.00 4.43 C ATOM 0 H ALA A 114 13.477 -28.948 -5.332 1.00 30.45 H new ATOM 0 HA ALA A 114 13.679 -26.135 -6.156 1.00 63.00 H new ATOM 0 HB1 ALA A 114 11.499 -25.945 -5.001 1.00 4.43 H new ATOM 0 HB2 ALA A 114 11.476 -27.211 -6.252 1.00 4.43 H new ATOM 0 HB3 ALA A 114 11.606 -27.659 -4.535 1.00 4.43 H new ATOM 1811 N VAL A 115 14.174 -27.303 -3.126 1.00 0.50 N ATOM 1812 CA VAL A 115 14.735 -26.975 -1.821 1.00 32.35 C ATOM 1813 C VAL A 115 16.049 -26.216 -1.962 1.00 24.23 C ATOM 1814 O VAL A 115 16.409 -25.412 -1.102 1.00 1.12 O ATOM 1815 CB VAL A 115 14.974 -28.243 -0.979 1.00 4.22 C ATOM 1816 CG1 VAL A 115 16.159 -29.028 -1.521 1.00 50.01 C ATOM 1817 CG2 VAL A 115 15.190 -27.879 0.482 1.00 15.34 C ATOM 0 H VAL A 115 13.932 -28.287 -3.246 1.00 0.50 H new ATOM 0 HA VAL A 115 14.007 -26.342 -1.313 1.00 32.35 H new ATOM 0 HB VAL A 115 14.088 -28.875 -1.046 1.00 4.22 H new ATOM 0 HG11 VAL A 115 16.313 -29.920 -0.914 1.00 50.01 H new ATOM 0 HG12 VAL A 115 15.961 -29.321 -2.552 1.00 50.01 H new ATOM 0 HG13 VAL A 115 17.054 -28.407 -1.486 1.00 50.01 H new ATOM 0 HG21 VAL A 115 15.357 -28.786 1.062 1.00 15.34 H new ATOM 0 HG22 VAL A 115 16.059 -27.227 0.570 1.00 15.34 H new ATOM 0 HG23 VAL A 115 14.309 -27.362 0.862 1.00 15.34 H new ATOM 1827 N ASP A 116 16.762 -26.477 -3.052 1.00 3.21 N ATOM 1828 CA ASP A 116 18.037 -25.817 -3.307 1.00 44.15 C ATOM 1829 C ASP A 116 17.825 -24.468 -3.988 1.00 74.53 C ATOM 1830 O ASP A 116 18.446 -23.472 -3.621 1.00 44.15 O ATOM 1831 CB ASP A 116 18.931 -26.705 -4.175 1.00 53.00 C ATOM 1832 CG ASP A 116 20.369 -26.721 -3.697 1.00 65.45 C ATOM 1833 OD1 ASP A 116 20.601 -27.079 -2.523 1.00 42.23 O ATOM 1834 OD2 ASP A 116 21.264 -26.378 -4.498 1.00 52.21 O ATOM 0 H ASP A 116 16.479 -27.141 -3.773 1.00 3.21 H new ATOM 0 HA ASP A 116 18.527 -25.647 -2.349 1.00 44.15 H new ATOM 0 HB2 ASP A 116 18.539 -27.722 -4.173 1.00 53.00 H new ATOM 0 HB3 ASP A 116 18.898 -26.352 -5.206 1.00 53.00 H new ATOM 1839 N ALA A 117 16.943 -24.446 -4.982 1.00 53.13 N ATOM 1840 CA ALA A 117 16.647 -23.220 -5.714 1.00 23.23 C ATOM 1841 C ALA A 117 16.170 -22.120 -4.772 1.00 30.24 C ATOM 1842 O ALA A 117 16.266 -20.934 -5.086 1.00 51.33 O ATOM 1843 CB ALA A 117 15.605 -23.486 -6.789 1.00 55.34 C ATOM 0 H ALA A 117 16.421 -25.263 -5.299 1.00 53.13 H new ATOM 0 HA ALA A 117 17.566 -22.880 -6.191 1.00 23.23 H new ATOM 0 HB1 ALA A 117 15.394 -22.562 -7.327 1.00 55.34 H new ATOM 0 HB2 ALA A 117 15.984 -24.234 -7.486 1.00 55.34 H new ATOM 0 HB3 ALA A 117 14.689 -23.853 -6.325 1.00 55.34 H new ATOM 1849 N LYS A 118 15.655 -22.521 -3.614 1.00 75.15 N ATOM 1850 CA LYS A 118 15.162 -21.570 -2.625 1.00 41.01 C ATOM 1851 C LYS A 118 16.319 -20.856 -1.934 1.00 42.42 C ATOM 1852 O LYS A 118 16.488 -19.646 -2.078 1.00 2.42 O ATOM 1853 CB LYS A 118 14.297 -22.286 -1.585 1.00 61.14 C ATOM 1854 CG LYS A 118 13.172 -21.427 -1.035 1.00 31.22 C ATOM 1855 CD LYS A 118 12.118 -21.144 -2.092 1.00 50.11 C ATOM 1856 CE LYS A 118 10.785 -20.769 -1.464 1.00 14.05 C ATOM 1857 NZ LYS A 118 10.724 -19.323 -1.113 1.00 52.10 N ATOM 0 H LYS A 118 15.568 -23.499 -3.338 1.00 75.15 H new ATOM 0 HA LYS A 118 14.556 -20.827 -3.143 1.00 41.01 H new ATOM 0 HB2 LYS A 118 13.871 -23.183 -2.034 1.00 61.14 H new ATOM 0 HB3 LYS A 118 14.930 -22.612 -0.760 1.00 61.14 H new ATOM 0 HG2 LYS A 118 12.711 -21.931 -0.186 1.00 31.22 H new ATOM 0 HG3 LYS A 118 13.579 -20.486 -0.665 1.00 31.22 H new ATOM 0 HD2 LYS A 118 12.457 -20.334 -2.738 1.00 50.11 H new ATOM 0 HD3 LYS A 118 11.989 -22.023 -2.723 1.00 50.11 H new ATOM 0 HE2 LYS A 118 9.977 -21.009 -2.156 1.00 14.05 H new ATOM 0 HE3 LYS A 118 10.625 -21.367 -0.567 1.00 14.05 H new ATOM 0 HZ1 LYS A 118 9.800 -19.108 -0.688 1.00 52.10 H new ATOM 0 HZ2 LYS A 118 11.479 -19.099 -0.433 1.00 52.10 H new ATOM 0 HZ3 LYS A 118 10.851 -18.751 -1.973 1.00 52.10 H new ATOM 1871 N ASN A 119 17.114 -21.613 -1.185 1.00 60.34 N ATOM 1872 CA ASN A 119 18.256 -21.052 -0.473 1.00 41.10 C ATOM 1873 C ASN A 119 19.292 -20.505 -1.451 1.00 30.32 C ATOM 1874 O ASN A 119 20.106 -19.651 -1.097 1.00 32.00 O ATOM 1875 CB ASN A 119 18.896 -22.113 0.424 1.00 33.35 C ATOM 1876 CG ASN A 119 19.880 -22.989 -0.327 1.00 4.53 C ATOM 1877 OD1 ASN A 119 20.994 -22.565 -0.636 1.00 2.12 O ATOM 1878 ND2 ASN A 119 19.473 -24.217 -0.624 1.00 54.21 N ATOM 0 H ASN A 119 16.988 -22.617 -1.055 1.00 60.34 H new ATOM 0 HA ASN A 119 17.898 -20.230 0.147 1.00 41.10 H new ATOM 0 HB2 ASN A 119 19.408 -21.623 1.252 1.00 33.35 H new ATOM 0 HB3 ASN A 119 18.115 -22.738 0.857 1.00 33.35 H new ATOM 0 HD21 ASN A 119 20.092 -24.852 -1.128 1.00 54.21 H new ATOM 0 HD22 ASN A 119 18.541 -24.526 -0.348 1.00 54.21 H new ATOM 1885 N LEU A 120 19.256 -21.003 -2.682 1.00 15.11 N ATOM 1886 CA LEU A 120 20.190 -20.564 -3.712 1.00 64.44 C ATOM 1887 C LEU A 120 19.858 -19.152 -4.184 1.00 23.33 C ATOM 1888 O LEU A 120 20.749 -18.378 -4.536 1.00 62.12 O ATOM 1889 CB LEU A 120 20.162 -21.530 -4.898 1.00 45.04 C ATOM 1890 CG LEU A 120 20.850 -21.045 -6.175 1.00 41.01 C ATOM 1891 CD1 LEU A 120 22.259 -20.559 -5.871 1.00 52.01 C ATOM 1892 CD2 LEU A 120 20.880 -22.152 -7.219 1.00 34.24 C ATOM 0 H LEU A 120 18.590 -21.711 -2.991 1.00 15.11 H new ATOM 0 HA LEU A 120 21.191 -20.556 -3.280 1.00 64.44 H new ATOM 0 HB2 LEU A 120 20.629 -22.465 -4.590 1.00 45.04 H new ATOM 0 HB3 LEU A 120 19.122 -21.756 -5.133 1.00 45.04 H new ATOM 0 HG LEU A 120 20.278 -20.209 -6.577 1.00 41.01 H new ATOM 0 HD11 LEU A 120 22.733 -20.218 -6.791 1.00 52.01 H new ATOM 0 HD12 LEU A 120 22.214 -19.735 -5.159 1.00 52.01 H new ATOM 0 HD13 LEU A 120 22.841 -21.376 -5.444 1.00 52.01 H new ATOM 0 HD21 LEU A 120 21.373 -21.789 -8.121 1.00 34.24 H new ATOM 0 HD22 LEU A 120 21.428 -23.008 -6.826 1.00 34.24 H new ATOM 0 HD23 LEU A 120 19.860 -22.453 -7.459 1.00 34.24 H new ATOM 1904 N LEU A 121 18.572 -18.822 -4.186 1.00 35.25 N ATOM 1905 CA LEU A 121 18.121 -17.502 -4.611 1.00 50.42 C ATOM 1906 C LEU A 121 18.597 -16.425 -3.641 1.00 62.03 C ATOM 1907 O LEU A 121 18.764 -15.265 -4.019 1.00 33.11 O ATOM 1908 CB LEU A 121 16.595 -17.471 -4.716 1.00 42.11 C ATOM 1909 CG LEU A 121 15.841 -17.130 -3.431 1.00 12.44 C ATOM 1910 CD1 LEU A 121 15.575 -15.634 -3.349 1.00 30.53 C ATOM 1911 CD2 LEU A 121 14.537 -17.910 -3.354 1.00 54.04 C ATOM 0 H LEU A 121 17.822 -19.451 -3.898 1.00 35.25 H new ATOM 0 HA LEU A 121 18.551 -17.298 -5.592 1.00 50.42 H new ATOM 0 HB2 LEU A 121 16.318 -16.744 -5.480 1.00 42.11 H new ATOM 0 HB3 LEU A 121 16.255 -18.446 -5.065 1.00 42.11 H new ATOM 0 HG LEU A 121 16.462 -17.415 -2.582 1.00 12.44 H new ATOM 0 HD11 LEU A 121 15.037 -15.410 -2.428 1.00 30.53 H new ATOM 0 HD12 LEU A 121 16.522 -15.095 -3.357 1.00 30.53 H new ATOM 0 HD13 LEU A 121 14.974 -15.324 -4.204 1.00 30.53 H new ATOM 0 HD21 LEU A 121 14.014 -17.654 -2.433 1.00 54.04 H new ATOM 0 HD22 LEU A 121 13.910 -17.657 -4.209 1.00 54.04 H new ATOM 0 HD23 LEU A 121 14.751 -18.979 -3.365 1.00 54.04 H new ATOM 1923 N ASP A 122 18.816 -16.817 -2.391 1.00 64.43 N ATOM 1924 CA ASP A 122 19.277 -15.887 -1.367 1.00 40.34 C ATOM 1925 C ASP A 122 20.767 -15.601 -1.524 1.00 3.31 C ATOM 1926 O ASP A 122 21.189 -14.445 -1.540 1.00 1.23 O ATOM 1927 CB ASP A 122 18.997 -16.449 0.027 1.00 73.51 C ATOM 1928 CG ASP A 122 19.566 -15.577 1.128 1.00 33.15 C ATOM 1929 OD1 ASP A 122 19.114 -14.420 1.262 1.00 23.25 O ATOM 1930 OD2 ASP A 122 20.462 -16.051 1.857 1.00 32.41 O ATOM 0 H ASP A 122 18.682 -17.773 -2.062 1.00 64.43 H new ATOM 0 HA ASP A 122 18.731 -14.952 -1.489 1.00 40.34 H new ATOM 0 HB2 ASP A 122 17.920 -16.548 0.166 1.00 73.51 H new ATOM 0 HB3 ASP A 122 19.422 -17.450 0.104 1.00 73.51 H new ATOM 1935 N ALA A 123 21.559 -16.662 -1.638 1.00 45.32 N ATOM 1936 CA ALA A 123 23.002 -16.525 -1.794 1.00 42.52 C ATOM 1937 C ALA A 123 23.343 -15.572 -2.935 1.00 11.51 C ATOM 1938 O ALA A 123 24.365 -14.886 -2.900 1.00 71.14 O ATOM 1939 CB ALA A 123 23.639 -17.886 -2.033 1.00 51.41 C ATOM 0 H ALA A 123 21.226 -17.626 -1.625 1.00 45.32 H new ATOM 0 HA ALA A 123 23.404 -16.105 -0.872 1.00 42.52 H new ATOM 0 HB1 ALA A 123 24.717 -17.768 -2.148 1.00 51.41 H new ATOM 0 HB2 ALA A 123 23.433 -18.538 -1.184 1.00 51.41 H new ATOM 0 HB3 ALA A 123 23.224 -18.328 -2.939 1.00 51.41 H new ATOM 1945 N VAL A 124 22.480 -15.533 -3.946 1.00 25.43 N ATOM 1946 CA VAL A 124 22.690 -14.664 -5.097 1.00 41.11 C ATOM 1947 C VAL A 124 22.122 -13.272 -4.845 1.00 53.13 C ATOM 1948 O VAL A 124 22.704 -12.268 -5.257 1.00 24.44 O ATOM 1949 CB VAL A 124 22.043 -15.248 -6.367 1.00 24.40 C ATOM 1950 CG1 VAL A 124 22.247 -14.313 -7.549 1.00 14.10 C ATOM 1951 CG2 VAL A 124 22.609 -16.629 -6.666 1.00 3.45 C ATOM 0 H VAL A 124 21.629 -16.093 -3.991 1.00 25.43 H new ATOM 0 HA VAL A 124 23.767 -14.592 -5.247 1.00 41.11 H new ATOM 0 HB VAL A 124 20.971 -15.348 -6.194 1.00 24.40 H new ATOM 0 HG11 VAL A 124 21.783 -14.742 -8.437 1.00 14.10 H new ATOM 0 HG12 VAL A 124 21.790 -13.347 -7.332 1.00 14.10 H new ATOM 0 HG13 VAL A 124 23.314 -14.178 -7.726 1.00 14.10 H new ATOM 0 HG21 VAL A 124 22.141 -17.027 -7.566 1.00 3.45 H new ATOM 0 HG22 VAL A 124 23.686 -16.556 -6.819 1.00 3.45 H new ATOM 0 HG23 VAL A 124 22.406 -17.295 -5.827 1.00 3.45 H new ATOM 1961 N ASP A 125 20.981 -13.219 -4.167 1.00 10.34 N ATOM 1962 CA ASP A 125 20.333 -11.949 -3.858 1.00 25.12 C ATOM 1963 C ASP A 125 21.301 -11.003 -3.154 1.00 11.23 C ATOM 1964 O ASP A 125 21.460 -9.851 -3.557 1.00 1.04 O ATOM 1965 CB ASP A 125 19.100 -12.181 -2.984 1.00 10.45 C ATOM 1966 CG ASP A 125 18.228 -10.945 -2.874 1.00 22.15 C ATOM 1967 OD1 ASP A 125 18.749 -9.830 -3.086 1.00 4.04 O ATOM 1968 OD2 ASP A 125 17.025 -11.093 -2.576 1.00 74.43 O ATOM 0 H ASP A 125 20.485 -14.040 -3.821 1.00 10.34 H new ATOM 0 HA ASP A 125 20.022 -11.490 -4.796 1.00 25.12 H new ATOM 0 HB2 ASP A 125 18.513 -13.001 -3.399 1.00 10.45 H new ATOM 0 HB3 ASP A 125 19.417 -12.488 -1.987 1.00 10.45 H new ATOM 1973 N GLN A 126 21.943 -11.497 -2.100 1.00 71.22 N ATOM 1974 CA GLN A 126 22.893 -10.695 -1.339 1.00 41.54 C ATOM 1975 C GLN A 126 24.174 -10.467 -2.136 1.00 13.32 C ATOM 1976 O GLN A 126 24.798 -9.411 -2.037 1.00 53.44 O ATOM 1977 CB GLN A 126 23.220 -11.377 -0.010 1.00 11.21 C ATOM 1978 CG GLN A 126 22.129 -11.223 1.037 1.00 11.34 C ATOM 1979 CD GLN A 126 22.118 -9.845 1.670 1.00 33.12 C ATOM 1980 OE1 GLN A 126 22.903 -9.558 2.574 1.00 63.11 O ATOM 1981 NE2 GLN A 126 21.225 -8.984 1.198 1.00 54.54 N ATOM 0 H GLN A 126 21.822 -12.449 -1.754 1.00 71.22 H new ATOM 0 HA GLN A 126 22.434 -9.727 -1.139 1.00 41.54 H new ATOM 0 HB2 GLN A 126 23.393 -12.438 -0.189 1.00 11.21 H new ATOM 0 HB3 GLN A 126 24.149 -10.964 0.382 1.00 11.21 H new ATOM 0 HG2 GLN A 126 21.160 -11.415 0.577 1.00 11.34 H new ATOM 0 HG3 GLN A 126 22.268 -11.975 1.814 1.00 11.34 H new ATOM 0 HE21 GLN A 126 20.593 -9.264 0.448 1.00 54.54 H new ATOM 0 HE22 GLN A 126 21.170 -8.042 1.586 1.00 54.54 H new ATOM 1990 N ALA A 127 24.560 -11.464 -2.924 1.00 73.43 N ATOM 1991 CA ALA A 127 25.765 -11.372 -3.739 1.00 11.01 C ATOM 1992 C ALA A 127 25.662 -10.229 -4.743 1.00 63.23 C ATOM 1993 O ALA A 127 26.615 -9.474 -4.940 1.00 72.21 O ATOM 1994 CB ALA A 127 26.018 -12.689 -4.458 1.00 51.54 C ATOM 0 H ALA A 127 24.055 -12.346 -3.016 1.00 73.43 H new ATOM 0 HA ALA A 127 26.607 -11.165 -3.078 1.00 11.01 H new ATOM 0 HB1 ALA A 127 26.921 -12.606 -5.063 1.00 51.54 H new ATOM 0 HB2 ALA A 127 26.145 -13.485 -3.725 1.00 51.54 H new ATOM 0 HB3 ALA A 127 25.170 -12.921 -5.102 1.00 51.54 H new ATOM 2000 N LYS A 128 24.501 -10.107 -5.377 1.00 61.54 N ATOM 2001 CA LYS A 128 24.273 -9.056 -6.362 1.00 32.42 C ATOM 2002 C LYS A 128 24.501 -7.678 -5.749 1.00 63.32 C ATOM 2003 O LYS A 128 24.814 -6.719 -6.454 1.00 45.31 O ATOM 2004 CB LYS A 128 22.850 -9.150 -6.917 1.00 51.32 C ATOM 2005 CG LYS A 128 22.660 -8.413 -8.232 1.00 4.43 C ATOM 2006 CD LYS A 128 22.580 -9.375 -9.404 1.00 71.44 C ATOM 2007 CE LYS A 128 23.899 -10.102 -9.621 1.00 14.14 C ATOM 2008 NZ LYS A 128 24.992 -9.165 -9.999 1.00 64.04 N ATOM 0 H LYS A 128 23.702 -10.723 -5.226 1.00 61.54 H new ATOM 0 HA LYS A 128 24.984 -9.194 -7.176 1.00 32.42 H new ATOM 0 HB2 LYS A 128 22.593 -10.200 -7.058 1.00 51.32 H new ATOM 0 HB3 LYS A 128 22.154 -8.747 -6.181 1.00 51.32 H new ATOM 0 HG2 LYS A 128 21.749 -7.816 -8.187 1.00 4.43 H new ATOM 0 HG3 LYS A 128 23.488 -7.720 -8.385 1.00 4.43 H new ATOM 0 HD2 LYS A 128 21.788 -10.102 -9.226 1.00 71.44 H new ATOM 0 HD3 LYS A 128 22.312 -8.827 -10.308 1.00 71.44 H new ATOM 0 HE2 LYS A 128 24.175 -10.634 -8.710 1.00 14.14 H new ATOM 0 HE3 LYS A 128 23.776 -10.852 -10.403 1.00 14.14 H new ATOM 0 HZ1 LYS A 128 25.252 -9.318 -10.994 1.00 64.04 H new ATOM 0 HZ2 LYS A 128 24.668 -8.185 -9.873 1.00 64.04 H new ATOM 0 HZ3 LYS A 128 25.821 -9.336 -9.395 1.00 64.04 H new ATOM 2022 N VAL A 129 24.344 -7.587 -4.432 1.00 61.54 N ATOM 2023 CA VAL A 129 24.536 -6.327 -3.725 1.00 30.33 C ATOM 2024 C VAL A 129 26.012 -6.080 -3.433 1.00 33.25 C ATOM 2025 O VAL A 129 26.479 -4.941 -3.459 1.00 11.34 O ATOM 2026 CB VAL A 129 23.751 -6.302 -2.400 1.00 35.30 C ATOM 2027 CG1 VAL A 129 23.987 -4.993 -1.663 1.00 44.22 C ATOM 2028 CG2 VAL A 129 22.267 -6.518 -2.657 1.00 32.33 C ATOM 0 H VAL A 129 24.084 -8.371 -3.834 1.00 61.54 H new ATOM 0 HA VAL A 129 24.160 -5.538 -4.377 1.00 30.33 H new ATOM 0 HB VAL A 129 24.110 -7.115 -1.770 1.00 35.30 H new ATOM 0 HG11 VAL A 129 23.424 -4.994 -0.730 1.00 44.22 H new ATOM 0 HG12 VAL A 129 25.050 -4.884 -1.446 1.00 44.22 H new ATOM 0 HG13 VAL A 129 23.657 -4.161 -2.285 1.00 44.22 H new ATOM 0 HG21 VAL A 129 21.727 -6.497 -1.710 1.00 32.33 H new ATOM 0 HG22 VAL A 129 21.891 -5.727 -3.306 1.00 32.33 H new ATOM 0 HG23 VAL A 129 22.118 -7.484 -3.139 1.00 32.33 H new ATOM 2038 N LEU A 130 26.742 -7.155 -3.155 1.00 10.52 N ATOM 2039 CA LEU A 130 28.167 -7.055 -2.858 1.00 32.30 C ATOM 2040 C LEU A 130 28.908 -6.335 -3.980 1.00 11.12 C ATOM 2041 O LEU A 130 29.872 -5.610 -3.735 1.00 15.22 O ATOM 2042 CB LEU A 130 28.763 -8.449 -2.650 1.00 52.32 C ATOM 2043 CG LEU A 130 28.636 -9.030 -1.241 1.00 51.35 C ATOM 2044 CD1 LEU A 130 28.525 -10.545 -1.297 1.00 62.52 C ATOM 2045 CD2 LEU A 130 29.821 -8.611 -0.383 1.00 54.11 C ATOM 0 H LEU A 130 26.371 -8.105 -3.129 1.00 10.52 H new ATOM 0 HA LEU A 130 28.283 -6.476 -1.942 1.00 32.30 H new ATOM 0 HB2 LEU A 130 28.284 -9.135 -3.349 1.00 52.32 H new ATOM 0 HB3 LEU A 130 29.820 -8.413 -2.913 1.00 52.32 H new ATOM 0 HG LEU A 130 27.727 -8.636 -0.786 1.00 51.35 H new ATOM 0 HD11 LEU A 130 28.435 -10.941 -0.285 1.00 62.52 H new ATOM 0 HD12 LEU A 130 27.644 -10.824 -1.875 1.00 62.52 H new ATOM 0 HD13 LEU A 130 29.416 -10.958 -1.771 1.00 62.52 H new ATOM 0 HD21 LEU A 130 29.714 -9.033 0.616 1.00 54.11 H new ATOM 0 HD22 LEU A 130 30.744 -8.976 -0.834 1.00 54.11 H new ATOM 0 HD23 LEU A 130 29.855 -7.524 -0.316 1.00 54.11 H new ATOM 2057 N ALA A 131 28.450 -6.538 -5.211 1.00 31.44 N ATOM 2058 CA ALA A 131 29.066 -5.905 -6.370 1.00 25.14 C ATOM 2059 C ALA A 131 29.081 -4.387 -6.223 1.00 24.42 C ATOM 2060 O ALA A 131 30.129 -3.753 -6.342 1.00 32.31 O ATOM 2061 CB ALA A 131 28.335 -6.307 -7.642 1.00 24.00 C ATOM 0 H ALA A 131 27.654 -7.136 -5.431 1.00 31.44 H new ATOM 0 HA ALA A 131 30.099 -6.248 -6.434 1.00 25.14 H new ATOM 0 HB1 ALA A 131 28.806 -5.827 -8.500 1.00 24.00 H new ATOM 0 HB2 ALA A 131 28.381 -7.389 -7.762 1.00 24.00 H new ATOM 0 HB3 ALA A 131 27.293 -5.993 -7.577 1.00 24.00 H new