USER MOD reduce.3.24.130724 H: found=0, std=0, add=1106, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1108 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 67 ASN : amide:sc= -0.606 X(o=-1.2,f=-0.92) USER MOD Set 1.2: A 100 ASN : amide:sc= -0.595 K(o=-1.2,f=-2) USER MOD Set 2.1: A 86 GLN : amide:sc= 2.13 K(o=3.4,f=-6.3!) USER MOD Set 2.2: A 89 LYS NZ :NH3+ 168:sc= 1.26 (180deg=0) USER MOD Set 3.1: A 24 LYS NZ :NH3+ -175:sc= 2.3 (180deg=0.912) USER MOD Set 3.2: A 25 ASN : amide:sc= 0.809 K(o=3.1,f=-8.5!) USER MOD Set 4.1: A 17 THR OG1 : rot -76:sc= 1.13 USER MOD Set 4.2: A 27 SER OG : rot 180:sc= 0.968 USER MOD Set 5.1: A 11 TYR OH : rot -93:sc= 1.52 USER MOD Set 5.2: A 168 LYS NZ :NH3+ -153:sc= 1.5 (180deg=0.226) USER MOD Single : A 10 ASN : amide:sc= -0.509 K(o=-0.51,f=-3.9!) USER MOD Single : A 19 GLN : amide:sc= 0.979 K(o=0.98,f=0) USER MOD Single : A 20 ASN : amide:sc= 1.08 K(o=1.1,f=-13!) USER MOD Single : A 21 GLN : amide:sc= -0.823 K(o=-0.82,f=-1.9) USER MOD Single : A 30 SER OG : rot 51:sc= 0.958 USER MOD Single : A 32 LYS NZ :NH3+ 168:sc= 1.29 (180deg=1.18) USER MOD Single : A 43 THR OG1 : rot 169:sc= 0.33 USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -169:sc= 0 (180deg=-0.127) USER MOD Single : A 53 THR OG1 : rot 146:sc= 0.984 USER MOD Single : A 55 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.22) USER MOD Single : A 56 MET CE :methyl -176:sc= 0 (180deg=-0.0491) USER MOD Single : A 57 THR OG1 : rot 148:sc= 0.937 USER MOD Single : A 60 GLN : amide:sc= 0.0135 K(o=0.014,f=-4.5!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -157:sc= 0.895 (180deg=0.565) USER MOD Single : A 74 SER OG : rot 85:sc= 1.2 USER MOD Single : A 76 SER OG : rot -160:sc= -0.148 USER MOD Single : A 81 ASN : amide:sc= 0.219! X(o=0.22!,f=-0.054) USER MOD Single : A 83 LYS NZ :NH3+ -107:sc= 1.41 (180deg=-0.0936) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -155:sc= 0.976 (180deg=0.827) USER MOD Single : A 93 ASN : amide:sc= 1.16 K(o=1.2,f=-0.0015) USER MOD Single : A 94 TYR OH : rot 30:sc= 0.269 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -66:sc= 0.115 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0.0205 USER MOD Single : A 109 GLN :FLIP amide:sc= -2.25! C(o=-2.9!,f=-2.2!) USER MOD Single : A 110 SER OG : rot 180:sc= 0.0654 USER MOD Single : A 118 LYS NZ :NH3+ 147:sc= 1.79 (180deg=-1.65!) USER MOD Single : A 119 SER OG : rot -81:sc= 0.782 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 SER OG : rot -122:sc= 1.32 USER MOD Single : A 140 TYR OH : rot -75:sc= 1.27 USER MOD Single : A 147 LYS NZ :NH3+ 146:sc= 0.923 (180deg=-0.82!) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 TYR OH : rot 61:sc= 0.86 USER MOD Single : A 153 ASN : amide:sc= -0.235 K(o=-0.23,f=-2.3!) USER MOD Single : A 160 TYR OH : rot 180:sc= 0 USER MOD Single : A 165 SER OG : rot 96:sc= 1.24 USER MOD Single : A 169 SER OG : rot 180:sc= 0 USER MOD Single : A 171 SER OG : rot 72:sc= 1.27 USER MOD Single : A 172 THR OG1 : rot -41:sc= 0.912 USER MOD ----------------------------------------------------------------- ATOM 112 N ASP A 7 -15.461 -9.752 10.040 1.00 1.01 N ATOM 113 CA ASP A 7 -15.309 -9.313 8.666 1.00 0.85 C ATOM 114 C ASP A 7 -13.826 -9.358 8.256 1.00 0.91 C ATOM 115 O ASP A 7 -13.264 -8.350 7.837 1.00 1.12 O ATOM 116 CB ASP A 7 -15.904 -7.885 8.543 1.00 1.17 C ATOM 117 CG ASP A 7 -15.560 -6.906 9.679 1.00 1.98 C ATOM 118 OD1 ASP A 7 -15.484 -7.353 10.852 1.00 3.02 O ATOM 119 OD2 ASP A 7 -15.418 -5.707 9.369 1.00 2.62 O ATOM 0 HA ASP A 7 -15.845 -9.976 7.987 1.00 0.85 H new ATOM 0 HB2 ASP A 7 -15.564 -7.452 7.602 1.00 1.17 H new ATOM 0 HB3 ASP A 7 -16.989 -7.970 8.481 1.00 1.17 H new ATOM 124 N PRO A 8 -13.155 -10.520 8.348 1.00 1.07 N ATOM 125 CA PRO A 8 -11.788 -10.662 7.875 1.00 1.31 C ATOM 126 C PRO A 8 -11.769 -10.804 6.350 1.00 1.16 C ATOM 127 O PRO A 8 -12.749 -11.246 5.749 1.00 1.35 O ATOM 128 CB PRO A 8 -11.282 -11.947 8.534 1.00 1.68 C ATOM 129 CG PRO A 8 -12.545 -12.811 8.585 1.00 1.62 C ATOM 130 CD PRO A 8 -13.643 -11.785 8.876 1.00 1.30 C ATOM 0 HA PRO A 8 -11.170 -9.799 8.123 1.00 1.31 H new ATOM 0 HB2 PRO A 8 -10.491 -12.418 7.951 1.00 1.68 H new ATOM 0 HB3 PRO A 8 -10.877 -11.761 9.529 1.00 1.68 H new ATOM 0 HG2 PRO A 8 -12.717 -13.332 7.643 1.00 1.62 H new ATOM 0 HG3 PRO A 8 -12.484 -13.571 9.364 1.00 1.62 H new ATOM 0 HD2 PRO A 8 -14.581 -12.071 8.401 1.00 1.30 H new ATOM 0 HD3 PRO A 8 -13.837 -11.713 9.946 1.00 1.30 H new ATOM 138 N LEU A 9 -10.627 -10.497 5.731 1.00 1.00 N ATOM 139 CA LEU A 9 -10.307 -10.918 4.369 1.00 0.75 C ATOM 140 C LEU A 9 -9.192 -11.972 4.448 1.00 0.71 C ATOM 141 O LEU A 9 -8.733 -12.307 5.537 1.00 0.76 O ATOM 142 CB LEU A 9 -10.024 -9.756 3.399 1.00 0.74 C ATOM 143 CG LEU A 9 -9.609 -8.474 4.105 1.00 1.01 C ATOM 144 CD1 LEU A 9 -8.783 -7.616 3.158 1.00 1.18 C ATOM 145 CD2 LEU A 9 -10.827 -7.704 4.635 1.00 1.15 C ATOM 0 H LEU A 9 -9.891 -9.942 6.168 1.00 1.00 H new ATOM 0 HA LEU A 9 -11.188 -11.373 3.917 1.00 0.75 H new ATOM 0 HB2 LEU A 9 -9.237 -10.053 2.706 1.00 0.74 H new ATOM 0 HB3 LEU A 9 -10.916 -9.563 2.803 1.00 0.74 H new ATOM 0 HG LEU A 9 -8.999 -8.734 4.970 1.00 1.01 H new ATOM 0 HD11 LEU A 9 -8.486 -6.698 3.664 1.00 1.18 H new ATOM 0 HD12 LEU A 9 -7.893 -8.166 2.852 1.00 1.18 H new ATOM 0 HD13 LEU A 9 -9.378 -7.369 2.278 1.00 1.18 H new ATOM 0 HD21 LEU A 9 -10.493 -6.794 5.133 1.00 1.15 H new ATOM 0 HD22 LEU A 9 -11.482 -7.443 3.804 1.00 1.15 H new ATOM 0 HD23 LEU A 9 -11.371 -8.328 5.344 1.00 1.15 H new ATOM 157 N ASN A 10 -8.775 -12.522 3.306 1.00 0.70 N ATOM 158 CA ASN A 10 -7.625 -13.414 3.170 1.00 0.78 C ATOM 159 C ASN A 10 -7.133 -13.263 1.735 1.00 0.73 C ATOM 160 O ASN A 10 -7.128 -14.214 0.964 1.00 0.85 O ATOM 161 CB ASN A 10 -8.001 -14.875 3.475 1.00 0.99 C ATOM 162 CG ASN A 10 -8.300 -15.152 4.945 1.00 1.36 C ATOM 163 OD1 ASN A 10 -7.388 -15.341 5.743 1.00 2.05 O ATOM 164 ND2 ASN A 10 -9.576 -15.229 5.314 1.00 1.47 N ATOM 0 H ASN A 10 -9.247 -12.351 2.418 1.00 0.70 H new ATOM 0 HA ASN A 10 -6.846 -13.150 3.885 1.00 0.78 H new ATOM 0 HB2 ASN A 10 -8.875 -15.145 2.881 1.00 0.99 H new ATOM 0 HB3 ASN A 10 -7.185 -15.523 3.154 1.00 0.99 H new ATOM 0 HD21 ASN A 10 -9.815 -15.450 6.281 1.00 1.47 H new ATOM 0 HD22 ASN A 10 -10.315 -15.067 4.630 1.00 1.47 H new ATOM 171 N TYR A 11 -6.761 -12.040 1.364 1.00 0.63 N ATOM 172 CA TYR A 11 -6.559 -11.652 -0.028 1.00 0.63 C ATOM 173 C TYR A 11 -5.112 -11.959 -0.433 1.00 0.62 C ATOM 174 O TYR A 11 -4.209 -11.202 -0.090 1.00 0.53 O ATOM 175 CB TYR A 11 -6.900 -10.160 -0.110 1.00 0.64 C ATOM 176 CG TYR A 11 -7.324 -9.525 -1.421 1.00 0.82 C ATOM 177 CD1 TYR A 11 -7.353 -10.231 -2.640 1.00 1.94 C ATOM 178 CD2 TYR A 11 -7.754 -8.185 -1.387 1.00 2.05 C ATOM 179 CE1 TYR A 11 -7.905 -9.626 -3.785 1.00 2.03 C ATOM 180 CE2 TYR A 11 -8.297 -7.583 -2.534 1.00 2.09 C ATOM 181 CZ TYR A 11 -8.368 -8.302 -3.736 1.00 1.12 C ATOM 182 OH TYR A 11 -9.206 -7.854 -4.719 1.00 1.19 O ATOM 0 H TYR A 11 -6.590 -11.285 2.028 1.00 0.63 H new ATOM 0 HA TYR A 11 -7.193 -12.205 -0.721 1.00 0.63 H new ATOM 0 HB2 TYR A 11 -7.700 -9.976 0.607 1.00 0.64 H new ATOM 0 HB3 TYR A 11 -6.025 -9.613 0.241 1.00 0.64 H new ATOM 0 HD1 TYR A 11 -6.953 -11.233 -2.696 1.00 1.94 H new ATOM 0 HD2 TYR A 11 -7.666 -7.616 -0.473 1.00 2.05 H new ATOM 0 HE1 TYR A 11 -7.973 -10.184 -4.707 1.00 2.03 H new ATOM 0 HE2 TYR A 11 -8.660 -6.567 -2.490 1.00 2.09 H new ATOM 0 HH TYR A 11 -8.680 -7.434 -5.431 1.00 1.19 H new ATOM 192 N GLU A 12 -4.874 -13.082 -1.107 1.00 0.78 N ATOM 193 CA GLU A 12 -3.542 -13.653 -1.275 1.00 0.80 C ATOM 194 C GLU A 12 -2.730 -12.882 -2.322 1.00 0.72 C ATOM 195 O GLU A 12 -2.929 -13.072 -3.520 1.00 0.93 O ATOM 196 CB GLU A 12 -3.715 -15.120 -1.686 1.00 1.11 C ATOM 197 CG GLU A 12 -4.371 -15.945 -0.566 1.00 1.72 C ATOM 198 CD GLU A 12 -5.204 -17.091 -1.119 1.00 2.32 C ATOM 199 OE1 GLU A 12 -6.156 -16.780 -1.871 1.00 3.27 O ATOM 200 OE2 GLU A 12 -4.898 -18.249 -0.771 1.00 2.82 O ATOM 0 H GLU A 12 -5.610 -13.626 -1.557 1.00 0.78 H new ATOM 0 HA GLU A 12 -2.987 -13.583 -0.340 1.00 0.80 H new ATOM 0 HB2 GLU A 12 -4.326 -15.177 -2.587 1.00 1.11 H new ATOM 0 HB3 GLU A 12 -2.743 -15.547 -1.932 1.00 1.11 H new ATOM 0 HG2 GLU A 12 -3.598 -16.342 0.092 1.00 1.72 H new ATOM 0 HG3 GLU A 12 -5.003 -15.296 0.040 1.00 1.72 H new ATOM 207 N VAL A 13 -1.785 -12.038 -1.888 1.00 0.56 N ATOM 208 CA VAL A 13 -0.921 -11.320 -2.806 1.00 0.58 C ATOM 209 C VAL A 13 0.182 -12.253 -3.316 1.00 0.62 C ATOM 210 O VAL A 13 0.875 -12.905 -2.534 1.00 0.71 O ATOM 211 CB VAL A 13 -0.407 -9.999 -2.202 1.00 0.67 C ATOM 212 CG1 VAL A 13 -1.514 -9.246 -1.459 1.00 1.81 C ATOM 213 CG2 VAL A 13 0.833 -10.132 -1.323 1.00 1.41 C ATOM 0 H VAL A 13 -1.607 -11.842 -0.903 1.00 0.56 H new ATOM 0 HA VAL A 13 -1.498 -11.010 -3.677 1.00 0.58 H new ATOM 0 HB VAL A 13 -0.092 -9.414 -3.066 1.00 0.67 H new ATOM 0 HG11 VAL A 13 -1.112 -8.320 -1.048 1.00 1.81 H new ATOM 0 HG12 VAL A 13 -2.324 -9.014 -2.151 1.00 1.81 H new ATOM 0 HG13 VAL A 13 -1.896 -9.867 -0.649 1.00 1.81 H new ATOM 0 HG21 VAL A 13 1.118 -9.150 -0.945 1.00 1.41 H new ATOM 0 HG22 VAL A 13 0.616 -10.795 -0.485 1.00 1.41 H new ATOM 0 HG23 VAL A 13 1.652 -10.546 -1.910 1.00 1.41 H new ATOM 223 N GLU A 14 0.317 -12.348 -4.641 1.00 0.88 N ATOM 224 CA GLU A 14 1.242 -13.261 -5.292 1.00 0.95 C ATOM 225 C GLU A 14 2.704 -12.875 -4.994 1.00 0.78 C ATOM 226 O GLU A 14 3.063 -11.710 -5.179 1.00 0.85 O ATOM 227 CB GLU A 14 0.924 -13.282 -6.785 1.00 1.26 C ATOM 228 CG GLU A 14 1.856 -14.207 -7.584 1.00 2.21 C ATOM 229 CD GLU A 14 1.150 -15.007 -8.673 1.00 2.38 C ATOM 230 OE1 GLU A 14 0.044 -15.511 -8.397 1.00 2.62 O ATOM 231 OE2 GLU A 14 1.723 -15.092 -9.783 1.00 3.55 O ATOM 0 H GLU A 14 -0.224 -11.782 -5.295 1.00 0.88 H new ATOM 0 HA GLU A 14 1.121 -14.270 -4.899 1.00 0.95 H new ATOM 0 HB2 GLU A 14 -0.108 -13.604 -6.927 1.00 1.26 H new ATOM 0 HB3 GLU A 14 0.999 -12.269 -7.181 1.00 1.26 H new ATOM 0 HG2 GLU A 14 2.643 -13.607 -8.041 1.00 2.21 H new ATOM 0 HG3 GLU A 14 2.342 -14.899 -6.896 1.00 2.21 H new ATOM 238 N PRO A 15 3.549 -13.820 -4.535 1.00 0.68 N ATOM 239 CA PRO A 15 4.990 -13.630 -4.430 1.00 0.61 C ATOM 240 C PRO A 15 5.592 -13.075 -5.720 1.00 0.61 C ATOM 241 O PRO A 15 5.229 -13.508 -6.810 1.00 0.69 O ATOM 242 CB PRO A 15 5.571 -15.005 -4.089 1.00 0.66 C ATOM 243 CG PRO A 15 4.425 -15.681 -3.341 1.00 0.74 C ATOM 244 CD PRO A 15 3.187 -15.150 -4.065 1.00 0.76 C ATOM 0 HA PRO A 15 5.228 -12.894 -3.662 1.00 0.61 H new ATOM 0 HB2 PRO A 15 5.852 -15.559 -4.985 1.00 0.66 H new ATOM 0 HB3 PRO A 15 6.465 -14.924 -3.471 1.00 0.66 H new ATOM 0 HG2 PRO A 15 4.491 -16.768 -3.397 1.00 0.74 H new ATOM 0 HG3 PRO A 15 4.420 -15.416 -2.284 1.00 0.74 H new ATOM 0 HD2 PRO A 15 2.911 -15.798 -4.897 1.00 0.76 H new ATOM 0 HD3 PRO A 15 2.328 -15.109 -3.395 1.00 0.76 H new ATOM 252 N PHE A 16 6.513 -12.116 -5.598 1.00 0.58 N ATOM 253 CA PHE A 16 7.146 -11.431 -6.707 1.00 0.60 C ATOM 254 C PHE A 16 8.266 -10.601 -6.082 1.00 0.56 C ATOM 255 O PHE A 16 8.349 -10.542 -4.850 1.00 0.57 O ATOM 256 CB PHE A 16 6.117 -10.557 -7.443 1.00 0.73 C ATOM 257 CG PHE A 16 6.577 -10.044 -8.792 1.00 0.89 C ATOM 258 CD1 PHE A 16 6.586 -10.916 -9.895 1.00 2.17 C ATOM 259 CD2 PHE A 16 7.024 -8.717 -8.945 1.00 1.55 C ATOM 260 CE1 PHE A 16 7.048 -10.467 -11.145 1.00 2.35 C ATOM 261 CE2 PHE A 16 7.509 -8.276 -10.188 1.00 1.71 C ATOM 262 CZ PHE A 16 7.521 -9.152 -11.287 1.00 1.46 C ATOM 0 H PHE A 16 6.844 -11.790 -4.690 1.00 0.58 H new ATOM 0 HA PHE A 16 7.546 -12.117 -7.454 1.00 0.60 H new ATOM 0 HB2 PHE A 16 5.202 -11.133 -7.581 1.00 0.73 H new ATOM 0 HB3 PHE A 16 5.865 -9.705 -6.811 1.00 0.73 H new ATOM 0 HD1 PHE A 16 6.238 -11.932 -9.782 1.00 2.17 H new ATOM 0 HD2 PHE A 16 6.994 -8.038 -8.106 1.00 1.55 H new ATOM 0 HE1 PHE A 16 7.039 -11.133 -11.995 1.00 2.35 H new ATOM 0 HE2 PHE A 16 7.872 -7.265 -10.299 1.00 1.71 H new ATOM 0 HZ PHE A 16 7.894 -8.814 -12.242 1.00 1.46 H new ATOM 272 N THR A 17 9.109 -9.979 -6.909 1.00 0.61 N ATOM 273 CA THR A 17 10.195 -9.122 -6.461 1.00 0.64 C ATOM 274 C THR A 17 9.929 -7.682 -6.871 1.00 0.73 C ATOM 275 O THR A 17 9.749 -7.397 -8.051 1.00 1.03 O ATOM 276 CB THR A 17 11.544 -9.638 -6.966 1.00 0.71 C ATOM 277 OG1 THR A 17 11.695 -10.992 -6.588 1.00 0.68 O ATOM 278 CG2 THR A 17 12.676 -8.838 -6.318 1.00 0.84 C ATOM 0 H THR A 17 9.050 -10.062 -7.924 1.00 0.61 H new ATOM 0 HA THR A 17 10.243 -9.146 -5.372 1.00 0.64 H new ATOM 0 HB THR A 17 11.581 -9.534 -8.050 1.00 0.71 H new ATOM 0 HG1 THR A 17 11.918 -11.043 -5.635 1.00 0.68 H new ATOM 0 HG21 THR A 17 13.636 -9.207 -6.679 1.00 0.84 H new ATOM 0 HG22 THR A 17 12.572 -7.784 -6.577 1.00 0.84 H new ATOM 0 HG23 THR A 17 12.628 -8.951 -5.235 1.00 0.84 H new ATOM 286 N PHE A 18 9.912 -6.783 -5.888 1.00 0.58 N ATOM 287 CA PHE A 18 9.674 -5.364 -6.066 1.00 0.65 C ATOM 288 C PHE A 18 10.970 -4.622 -5.751 1.00 0.64 C ATOM 289 O PHE A 18 11.879 -5.193 -5.143 1.00 0.61 O ATOM 290 CB PHE A 18 8.564 -4.922 -5.103 1.00 0.64 C ATOM 291 CG PHE A 18 7.471 -5.953 -4.876 1.00 0.62 C ATOM 292 CD1 PHE A 18 6.528 -6.211 -5.886 1.00 1.90 C ATOM 293 CD2 PHE A 18 7.483 -6.751 -3.715 1.00 2.23 C ATOM 294 CE1 PHE A 18 5.601 -7.253 -5.729 1.00 1.80 C ATOM 295 CE2 PHE A 18 6.560 -7.800 -3.564 1.00 2.39 C ATOM 296 CZ PHE A 18 5.610 -8.046 -4.569 1.00 0.90 C ATOM 0 H PHE A 18 10.070 -7.039 -4.913 1.00 0.58 H new ATOM 0 HA PHE A 18 9.364 -5.145 -7.088 1.00 0.65 H new ATOM 0 HB2 PHE A 18 9.014 -4.672 -4.142 1.00 0.64 H new ATOM 0 HB3 PHE A 18 8.109 -4.010 -5.489 1.00 0.64 H new ATOM 0 HD1 PHE A 18 6.517 -5.608 -6.782 1.00 1.90 H new ATOM 0 HD2 PHE A 18 8.206 -6.555 -2.937 1.00 2.23 H new ATOM 0 HE1 PHE A 18 4.876 -7.447 -6.505 1.00 1.80 H new ATOM 0 HE2 PHE A 18 6.581 -8.416 -2.677 1.00 2.39 H new ATOM 0 HZ PHE A 18 4.889 -8.842 -4.451 1.00 0.90 H new ATOM 306 N GLN A 19 11.036 -3.337 -6.107 1.00 0.69 N ATOM 307 CA GLN A 19 12.072 -2.437 -5.633 1.00 0.70 C ATOM 308 C GLN A 19 11.402 -1.288 -4.893 1.00 0.73 C ATOM 309 O GLN A 19 10.386 -0.761 -5.349 1.00 0.74 O ATOM 310 CB GLN A 19 12.930 -1.920 -6.784 1.00 0.75 C ATOM 311 CG GLN A 19 13.588 -3.077 -7.546 1.00 0.75 C ATOM 312 CD GLN A 19 14.570 -2.583 -8.599 1.00 1.19 C ATOM 313 OE1 GLN A 19 14.293 -2.641 -9.792 1.00 1.43 O ATOM 314 NE2 GLN A 19 15.736 -2.101 -8.182 1.00 2.07 N ATOM 0 H GLN A 19 10.365 -2.896 -6.736 1.00 0.69 H new ATOM 0 HA GLN A 19 12.741 -2.973 -4.960 1.00 0.70 H new ATOM 0 HB2 GLN A 19 12.314 -1.335 -7.467 1.00 0.75 H new ATOM 0 HB3 GLN A 19 13.699 -1.252 -6.397 1.00 0.75 H new ATOM 0 HG2 GLN A 19 14.108 -3.725 -6.841 1.00 0.75 H new ATOM 0 HG3 GLN A 19 12.817 -3.681 -8.025 1.00 0.75 H new ATOM 0 HE21 GLN A 19 15.944 -2.062 -7.184 1.00 2.07 H new ATOM 0 HE22 GLN A 19 16.423 -1.769 -8.860 1.00 2.07 H new ATOM 323 N ASN A 20 11.960 -0.933 -3.739 1.00 0.76 N ATOM 324 CA ASN A 20 11.524 0.202 -2.940 1.00 0.78 C ATOM 325 C ASN A 20 12.128 1.520 -3.441 1.00 0.87 C ATOM 326 O ASN A 20 12.917 1.537 -4.382 1.00 0.98 O ATOM 327 CB ASN A 20 11.754 -0.057 -1.439 1.00 0.72 C ATOM 328 CG ASN A 20 13.187 0.177 -0.973 1.00 0.78 C ATOM 329 OD1 ASN A 20 14.050 0.581 -1.746 1.00 1.09 O ATOM 330 ND2 ASN A 20 13.452 -0.046 0.309 1.00 0.76 N ATOM 0 H ASN A 20 12.744 -1.439 -3.327 1.00 0.76 H new ATOM 0 HA ASN A 20 10.447 0.316 -3.066 1.00 0.78 H new ATOM 0 HB2 ASN A 20 11.088 0.587 -0.865 1.00 0.72 H new ATOM 0 HB3 ASN A 20 11.475 -1.086 -1.213 1.00 0.72 H new ATOM 0 HD21 ASN A 20 14.391 0.119 0.672 1.00 0.76 H new ATOM 0 HD22 ASN A 20 12.717 -0.382 0.931 1.00 0.76 H new ATOM 337 N GLN A 21 11.752 2.629 -2.801 1.00 0.87 N ATOM 338 CA GLN A 21 12.242 3.977 -3.074 1.00 0.95 C ATOM 339 C GLN A 21 13.774 4.119 -3.112 1.00 0.98 C ATOM 340 O GLN A 21 14.277 4.976 -3.836 1.00 1.23 O ATOM 341 CB GLN A 21 11.581 4.983 -2.114 1.00 1.02 C ATOM 342 CG GLN A 21 11.621 4.606 -0.620 1.00 1.15 C ATOM 343 CD GLN A 21 13.021 4.642 -0.021 1.00 1.33 C ATOM 344 OE1 GLN A 21 13.758 5.599 -0.229 1.00 2.07 O ATOM 345 NE2 GLN A 21 13.402 3.614 0.732 1.00 1.61 N ATOM 0 H GLN A 21 11.067 2.609 -2.045 1.00 0.87 H new ATOM 0 HA GLN A 21 11.942 4.208 -4.096 1.00 0.95 H new ATOM 0 HB2 GLN A 21 12.068 5.950 -2.239 1.00 1.02 H new ATOM 0 HB3 GLN A 21 10.540 5.110 -2.410 1.00 1.02 H new ATOM 0 HG2 GLN A 21 10.979 5.289 -0.064 1.00 1.15 H new ATOM 0 HG3 GLN A 21 11.207 3.606 -0.495 1.00 1.15 H new ATOM 0 HE21 GLN A 21 12.766 2.832 0.887 1.00 1.61 H new ATOM 0 HE22 GLN A 21 14.330 3.608 1.155 1.00 1.61 H new ATOM 354 N ASP A 22 14.511 3.285 -2.369 1.00 0.89 N ATOM 355 CA ASP A 22 15.974 3.257 -2.373 1.00 1.00 C ATOM 356 C ASP A 22 16.512 2.484 -3.592 1.00 1.13 C ATOM 357 O ASP A 22 17.713 2.315 -3.769 1.00 1.34 O ATOM 358 CB ASP A 22 16.444 2.694 -1.023 1.00 1.04 C ATOM 359 CG ASP A 22 17.960 2.645 -0.887 1.00 2.10 C ATOM 360 OD1 ASP A 22 18.565 3.736 -0.954 1.00 2.77 O ATOM 361 OD2 ASP A 22 18.470 1.525 -0.664 1.00 3.44 O ATOM 0 H ASP A 22 14.097 2.599 -1.737 1.00 0.89 H new ATOM 0 HA ASP A 22 16.382 4.262 -2.480 1.00 1.00 H new ATOM 0 HB2 ASP A 22 16.033 3.305 -0.219 1.00 1.04 H new ATOM 0 HB3 ASP A 22 16.042 1.689 -0.896 1.00 1.04 H new ATOM 366 N GLY A 23 15.613 1.998 -4.456 1.00 1.16 N ATOM 367 CA GLY A 23 15.928 1.057 -5.516 1.00 1.36 C ATOM 368 C GLY A 23 16.171 -0.334 -4.935 1.00 1.38 C ATOM 369 O GLY A 23 16.587 -1.243 -5.655 1.00 1.81 O ATOM 0 H GLY A 23 14.627 2.259 -4.430 1.00 1.16 H new ATOM 0 HA2 GLY A 23 15.109 1.020 -6.234 1.00 1.36 H new ATOM 0 HA3 GLY A 23 16.813 1.392 -6.058 1.00 1.36 H new ATOM 373 N LYS A 24 15.914 -0.524 -3.639 1.00 1.01 N ATOM 374 CA LYS A 24 16.357 -1.695 -2.923 1.00 0.93 C ATOM 375 C LYS A 24 15.374 -2.822 -3.228 1.00 0.79 C ATOM 376 O LYS A 24 14.165 -2.653 -3.072 1.00 0.76 O ATOM 377 CB LYS A 24 16.444 -1.358 -1.427 1.00 0.95 C ATOM 378 CG LYS A 24 17.473 -2.164 -0.630 1.00 0.96 C ATOM 379 CD LYS A 24 17.261 -3.653 -0.913 1.00 1.96 C ATOM 380 CE LYS A 24 17.886 -4.675 0.031 1.00 2.39 C ATOM 381 NZ LYS A 24 17.580 -6.032 -0.477 1.00 3.60 N ATOM 0 H LYS A 24 15.391 0.138 -3.066 1.00 1.01 H new ATOM 0 HA LYS A 24 17.351 -2.020 -3.231 1.00 0.93 H new ATOM 0 HB2 LYS A 24 16.679 -0.299 -1.324 1.00 0.95 H new ATOM 0 HB3 LYS A 24 15.462 -1.512 -0.980 1.00 0.95 H new ATOM 0 HG2 LYS A 24 18.484 -1.867 -0.910 1.00 0.96 H new ATOM 0 HG3 LYS A 24 17.366 -1.964 0.436 1.00 0.96 H new ATOM 0 HD2 LYS A 24 16.187 -3.836 -0.933 1.00 1.96 H new ATOM 0 HD3 LYS A 24 17.638 -3.856 -1.916 1.00 1.96 H new ATOM 0 HE2 LYS A 24 18.964 -4.527 0.090 1.00 2.39 H new ATOM 0 HE3 LYS A 24 17.492 -4.550 1.039 1.00 2.39 H new ATOM 0 HZ1 LYS A 24 17.926 -6.742 0.200 1.00 3.60 H new ATOM 0 HZ2 LYS A 24 16.552 -6.136 -0.593 1.00 3.60 H new ATOM 0 HZ3 LYS A 24 18.047 -6.172 -1.395 1.00 3.60 H new ATOM 395 N ASN A 25 15.905 -3.976 -3.634 1.00 0.77 N ATOM 396 CA ASN A 25 15.123 -5.139 -4.009 1.00 0.67 C ATOM 397 C ASN A 25 14.543 -5.819 -2.766 1.00 0.60 C ATOM 398 O ASN A 25 15.251 -6.058 -1.781 1.00 0.64 O ATOM 399 CB ASN A 25 15.986 -6.123 -4.814 1.00 0.70 C ATOM 400 CG ASN A 25 17.026 -6.864 -3.965 1.00 1.86 C ATOM 401 OD1 ASN A 25 17.736 -6.267 -3.153 1.00 2.83 O ATOM 402 ND2 ASN A 25 17.122 -8.179 -4.127 1.00 2.76 N ATOM 0 H ASN A 25 16.911 -4.124 -3.710 1.00 0.77 H new ATOM 0 HA ASN A 25 14.294 -4.814 -4.637 1.00 0.67 H new ATOM 0 HB2 ASN A 25 15.336 -6.853 -5.296 1.00 0.70 H new ATOM 0 HB3 ASN A 25 16.498 -5.579 -5.608 1.00 0.70 H new ATOM 0 HD21 ASN A 25 17.792 -8.713 -3.574 1.00 2.76 H new ATOM 0 HD22 ASN A 25 16.525 -8.654 -4.804 1.00 2.76 H new ATOM 409 N VAL A 26 13.249 -6.126 -2.822 1.00 0.54 N ATOM 410 CA VAL A 26 12.505 -6.798 -1.773 1.00 0.53 C ATOM 411 C VAL A 26 11.520 -7.751 -2.450 1.00 0.54 C ATOM 412 O VAL A 26 10.635 -7.308 -3.179 1.00 0.66 O ATOM 413 CB VAL A 26 11.787 -5.777 -0.863 1.00 0.54 C ATOM 414 CG1 VAL A 26 12.726 -5.177 0.188 1.00 0.87 C ATOM 415 CG2 VAL A 26 11.146 -4.611 -1.625 1.00 0.99 C ATOM 0 H VAL A 26 12.673 -5.902 -3.633 1.00 0.54 H new ATOM 0 HA VAL A 26 13.176 -7.361 -1.124 1.00 0.53 H new ATOM 0 HB VAL A 26 11.001 -6.362 -0.386 1.00 0.54 H new ATOM 0 HG11 VAL A 26 12.176 -4.465 0.803 1.00 0.87 H new ATOM 0 HG12 VAL A 26 13.122 -5.973 0.819 1.00 0.87 H new ATOM 0 HG13 VAL A 26 13.550 -4.665 -0.310 1.00 0.87 H new ATOM 0 HG21 VAL A 26 10.662 -3.937 -0.918 1.00 0.99 H new ATOM 0 HG22 VAL A 26 11.915 -4.069 -2.174 1.00 0.99 H new ATOM 0 HG23 VAL A 26 10.405 -4.997 -2.325 1.00 0.99 H new ATOM 425 N SER A 27 11.681 -9.058 -2.231 1.00 0.74 N ATOM 426 CA SER A 27 10.667 -10.036 -2.600 1.00 0.69 C ATOM 427 C SER A 27 9.661 -10.173 -1.466 1.00 0.64 C ATOM 428 O SER A 27 9.965 -9.781 -0.339 1.00 0.66 O ATOM 429 CB SER A 27 11.310 -11.374 -2.972 1.00 0.78 C ATOM 430 OG SER A 27 12.372 -11.193 -3.890 1.00 1.79 O ATOM 0 H SER A 27 12.511 -9.461 -1.797 1.00 0.74 H new ATOM 0 HA SER A 27 10.133 -9.693 -3.486 1.00 0.69 H new ATOM 0 HB2 SER A 27 11.683 -11.864 -2.073 1.00 0.78 H new ATOM 0 HB3 SER A 27 10.559 -12.033 -3.406 1.00 0.78 H new ATOM 0 HG SER A 27 12.766 -12.063 -4.110 1.00 1.79 H new ATOM 436 N LEU A 28 8.472 -10.717 -1.744 1.00 0.60 N ATOM 437 CA LEU A 28 7.433 -10.888 -0.735 1.00 0.50 C ATOM 438 C LEU A 28 7.981 -11.592 0.503 1.00 0.42 C ATOM 439 O LEU A 28 7.620 -11.235 1.618 1.00 0.58 O ATOM 440 CB LEU A 28 6.239 -11.651 -1.319 1.00 0.52 C ATOM 441 CG LEU A 28 4.935 -11.394 -0.557 1.00 0.63 C ATOM 442 CD1 LEU A 28 4.427 -9.968 -0.783 1.00 1.00 C ATOM 443 CD2 LEU A 28 3.867 -12.371 -1.056 1.00 1.03 C ATOM 0 H LEU A 28 8.208 -11.048 -2.672 1.00 0.60 H new ATOM 0 HA LEU A 28 7.090 -9.900 -0.428 1.00 0.50 H new ATOM 0 HB2 LEU A 28 6.107 -11.364 -2.362 1.00 0.52 H new ATOM 0 HB3 LEU A 28 6.456 -12.719 -1.307 1.00 0.52 H new ATOM 0 HG LEU A 28 5.130 -11.532 0.506 1.00 0.63 H new ATOM 0 HD11 LEU A 28 3.501 -9.820 -0.228 1.00 1.00 H new ATOM 0 HD12 LEU A 28 5.176 -9.256 -0.436 1.00 1.00 H new ATOM 0 HD13 LEU A 28 4.242 -9.812 -1.846 1.00 1.00 H new ATOM 0 HD21 LEU A 28 2.935 -12.196 -0.519 1.00 1.03 H new ATOM 0 HD22 LEU A 28 3.705 -12.219 -2.123 1.00 1.03 H new ATOM 0 HD23 LEU A 28 4.200 -13.394 -0.881 1.00 1.03 H new ATOM 455 N GLU A 29 8.882 -12.555 0.308 1.00 0.47 N ATOM 456 CA GLU A 29 9.633 -13.282 1.319 1.00 0.62 C ATOM 457 C GLU A 29 10.260 -12.368 2.382 1.00 0.61 C ATOM 458 O GLU A 29 10.384 -12.762 3.538 1.00 0.74 O ATOM 459 CB GLU A 29 10.708 -14.131 0.645 1.00 0.79 C ATOM 460 CG GLU A 29 10.199 -15.025 -0.502 1.00 0.95 C ATOM 461 CD GLU A 29 10.228 -14.307 -1.845 1.00 2.15 C ATOM 462 OE1 GLU A 29 11.285 -14.356 -2.506 1.00 3.05 O ATOM 463 OE2 GLU A 29 9.220 -13.628 -2.142 1.00 3.44 O ATOM 0 H GLU A 29 9.120 -12.867 -0.633 1.00 0.47 H new ATOM 0 HA GLU A 29 8.926 -13.922 1.847 1.00 0.62 H new ATOM 0 HB2 GLU A 29 11.482 -13.470 0.256 1.00 0.79 H new ATOM 0 HB3 GLU A 29 11.178 -14.763 1.399 1.00 0.79 H new ATOM 0 HG2 GLU A 29 10.812 -15.924 -0.559 1.00 0.95 H new ATOM 0 HG3 GLU A 29 9.180 -15.347 -0.285 1.00 0.95 H new ATOM 470 N SER A 30 10.650 -11.148 1.995 1.00 0.55 N ATOM 471 CA SER A 30 11.123 -10.112 2.914 1.00 0.71 C ATOM 472 C SER A 30 10.134 -9.858 4.056 1.00 0.58 C ATOM 473 O SER A 30 10.536 -9.360 5.103 1.00 0.65 O ATOM 474 CB SER A 30 11.416 -8.817 2.156 1.00 1.03 C ATOM 475 OG SER A 30 11.892 -7.768 2.991 1.00 2.79 O ATOM 0 H SER A 30 10.645 -10.850 1.019 1.00 0.55 H new ATOM 0 HA SER A 30 12.047 -10.475 3.364 1.00 0.71 H new ATOM 0 HB2 SER A 30 12.155 -9.018 1.381 1.00 1.03 H new ATOM 0 HB3 SER A 30 10.508 -8.486 1.652 1.00 1.03 H new ATOM 0 HG SER A 30 12.638 -8.096 3.535 1.00 2.79 H new ATOM 481 N LEU A 31 8.846 -10.101 3.808 1.00 0.55 N ATOM 482 CA LEU A 31 7.726 -9.720 4.654 1.00 0.56 C ATOM 483 C LEU A 31 6.872 -10.937 5.034 1.00 0.58 C ATOM 484 O LEU A 31 6.277 -10.977 6.110 1.00 0.65 O ATOM 485 CB LEU A 31 6.875 -8.713 3.875 1.00 0.58 C ATOM 486 CG LEU A 31 7.663 -7.503 3.349 1.00 0.56 C ATOM 487 CD1 LEU A 31 6.867 -6.807 2.243 1.00 0.57 C ATOM 488 CD2 LEU A 31 7.978 -6.536 4.495 1.00 0.59 C ATOM 0 H LEU A 31 8.546 -10.594 2.967 1.00 0.55 H new ATOM 0 HA LEU A 31 8.102 -9.284 5.579 1.00 0.56 H new ATOM 0 HB2 LEU A 31 6.407 -9.223 3.033 1.00 0.58 H new ATOM 0 HB3 LEU A 31 6.071 -8.358 4.519 1.00 0.58 H new ATOM 0 HG LEU A 31 8.609 -7.844 2.929 1.00 0.56 H new ATOM 0 HD11 LEU A 31 7.430 -5.950 1.874 1.00 0.57 H new ATOM 0 HD12 LEU A 31 6.692 -7.506 1.425 1.00 0.57 H new ATOM 0 HD13 LEU A 31 5.911 -6.468 2.641 1.00 0.57 H new ATOM 0 HD21 LEU A 31 8.536 -5.683 4.109 1.00 0.59 H new ATOM 0 HD22 LEU A 31 7.048 -6.187 4.943 1.00 0.59 H new ATOM 0 HD23 LEU A 31 8.574 -7.048 5.250 1.00 0.59 H new ATOM 500 N LYS A 32 6.773 -11.925 4.140 1.00 0.62 N ATOM 501 CA LYS A 32 6.030 -13.149 4.360 1.00 0.60 C ATOM 502 C LYS A 32 6.527 -13.817 5.648 1.00 0.61 C ATOM 503 O LYS A 32 7.731 -13.941 5.860 1.00 0.83 O ATOM 504 CB LYS A 32 6.155 -14.052 3.146 1.00 0.69 C ATOM 505 CG LYS A 32 4.963 -15.014 3.067 1.00 0.85 C ATOM 506 CD LYS A 32 4.883 -15.546 1.649 1.00 1.73 C ATOM 507 CE LYS A 32 4.064 -16.845 1.548 1.00 1.80 C ATOM 508 NZ LYS A 32 3.043 -16.795 0.480 1.00 3.31 N ATOM 0 H LYS A 32 7.221 -11.886 3.225 1.00 0.62 H new ATOM 0 HA LYS A 32 4.969 -12.935 4.489 1.00 0.60 H new ATOM 0 HB2 LYS A 32 6.203 -13.448 2.240 1.00 0.69 H new ATOM 0 HB3 LYS A 32 7.084 -14.619 3.201 1.00 0.69 H new ATOM 0 HG2 LYS A 32 5.087 -15.833 3.775 1.00 0.85 H new ATOM 0 HG3 LYS A 32 4.040 -14.500 3.334 1.00 0.85 H new ATOM 0 HD2 LYS A 32 4.436 -14.788 1.006 1.00 1.73 H new ATOM 0 HD3 LYS A 32 5.891 -15.727 1.276 1.00 1.73 H new ATOM 0 HE2 LYS A 32 4.738 -17.681 1.361 1.00 1.80 H new ATOM 0 HE3 LYS A 32 3.575 -17.037 2.503 1.00 1.80 H new ATOM 0 HZ1 LYS A 32 2.663 -17.749 0.318 1.00 3.31 H new ATOM 0 HZ2 LYS A 32 2.272 -16.159 0.767 1.00 3.31 H new ATOM 0 HZ3 LYS A 32 3.475 -16.442 -0.397 1.00 3.31 H new ATOM 522 N GLY A 33 5.597 -14.198 6.519 1.00 0.50 N ATOM 523 CA GLY A 33 5.866 -14.616 7.882 1.00 0.50 C ATOM 524 C GLY A 33 5.387 -13.556 8.874 1.00 0.43 C ATOM 525 O GLY A 33 4.945 -13.911 9.965 1.00 0.42 O ATOM 0 H GLY A 33 4.605 -14.223 6.283 1.00 0.50 H new ATOM 0 HA2 GLY A 33 5.365 -15.563 8.083 1.00 0.50 H new ATOM 0 HA3 GLY A 33 6.935 -14.787 8.012 1.00 0.50 H new ATOM 529 N GLU A 34 5.456 -12.273 8.495 1.00 0.46 N ATOM 530 CA GLU A 34 5.136 -11.143 9.361 1.00 0.45 C ATOM 531 C GLU A 34 3.800 -10.484 8.994 1.00 0.41 C ATOM 532 O GLU A 34 3.232 -10.751 7.936 1.00 0.48 O ATOM 533 CB GLU A 34 6.301 -10.137 9.316 1.00 0.52 C ATOM 534 CG GLU A 34 7.175 -10.250 10.570 1.00 1.06 C ATOM 535 CD GLU A 34 6.544 -9.520 11.747 1.00 2.66 C ATOM 536 OE1 GLU A 34 5.298 -9.607 11.863 1.00 3.78 O ATOM 537 OE2 GLU A 34 7.319 -8.860 12.476 1.00 3.51 O ATOM 0 H GLU A 34 5.742 -11.992 7.557 1.00 0.46 H new ATOM 0 HA GLU A 34 5.012 -11.508 10.381 1.00 0.45 H new ATOM 0 HB2 GLU A 34 6.908 -10.317 8.429 1.00 0.52 H new ATOM 0 HB3 GLU A 34 5.908 -9.124 9.233 1.00 0.52 H new ATOM 0 HG2 GLU A 34 7.317 -11.300 10.824 1.00 1.06 H new ATOM 0 HG3 GLU A 34 8.162 -9.834 10.367 1.00 1.06 H new ATOM 544 N VAL A 35 3.292 -9.624 9.884 1.00 0.37 N ATOM 545 CA VAL A 35 2.039 -8.886 9.688 1.00 0.38 C ATOM 546 C VAL A 35 2.336 -7.467 9.221 1.00 0.39 C ATOM 547 O VAL A 35 2.385 -6.522 10.004 1.00 0.40 O ATOM 548 CB VAL A 35 1.157 -8.969 10.943 1.00 0.42 C ATOM 549 CG1 VAL A 35 1.785 -8.460 12.250 1.00 0.44 C ATOM 550 CG2 VAL A 35 -0.200 -8.294 10.709 1.00 0.46 C ATOM 0 H VAL A 35 3.746 -9.418 10.774 1.00 0.37 H new ATOM 0 HA VAL A 35 1.453 -9.348 8.893 1.00 0.38 H new ATOM 0 HB VAL A 35 1.030 -10.040 11.098 1.00 0.42 H new ATOM 0 HG11 VAL A 35 1.069 -8.569 13.064 1.00 0.44 H new ATOM 0 HG12 VAL A 35 2.680 -9.040 12.474 1.00 0.44 H new ATOM 0 HG13 VAL A 35 2.052 -7.409 12.140 1.00 0.44 H new ATOM 0 HG21 VAL A 35 -0.804 -8.368 11.613 1.00 0.46 H new ATOM 0 HG22 VAL A 35 -0.046 -7.244 10.460 1.00 0.46 H new ATOM 0 HG23 VAL A 35 -0.716 -8.790 9.887 1.00 0.46 H new ATOM 560 N TRP A 36 2.550 -7.315 7.918 1.00 0.51 N ATOM 561 CA TRP A 36 3.106 -6.103 7.357 1.00 0.43 C ATOM 562 C TRP A 36 2.004 -5.210 6.794 1.00 0.46 C ATOM 563 O TRP A 36 1.103 -5.671 6.096 1.00 0.58 O ATOM 564 CB TRP A 36 4.191 -6.475 6.350 1.00 0.40 C ATOM 565 CG TRP A 36 3.759 -7.307 5.189 1.00 0.41 C ATOM 566 CD1 TRP A 36 3.589 -8.647 5.147 1.00 0.46 C ATOM 567 CD2 TRP A 36 3.458 -6.824 3.861 1.00 0.43 C ATOM 568 NE1 TRP A 36 3.236 -9.022 3.867 1.00 0.48 N ATOM 569 CE2 TRP A 36 3.161 -7.931 3.019 1.00 0.47 C ATOM 570 CE3 TRP A 36 3.391 -5.539 3.305 1.00 0.45 C ATOM 571 CZ2 TRP A 36 2.830 -7.757 1.664 1.00 0.53 C ATOM 572 CZ3 TRP A 36 3.007 -5.354 1.968 1.00 0.52 C ATOM 573 CH2 TRP A 36 2.768 -6.454 1.143 1.00 0.55 C ATOM 0 H TRP A 36 2.340 -8.034 7.226 1.00 0.51 H new ATOM 0 HA TRP A 36 3.584 -5.503 8.131 1.00 0.43 H new ATOM 0 HB2 TRP A 36 4.631 -5.555 5.966 1.00 0.40 H new ATOM 0 HB3 TRP A 36 4.980 -7.010 6.879 1.00 0.40 H new ATOM 0 HD1 TRP A 36 3.710 -9.319 5.984 1.00 0.46 H new ATOM 0 HE1 TRP A 36 3.053 -9.984 3.581 1.00 0.48 H new ATOM 0 HE3 TRP A 36 3.638 -4.681 3.913 1.00 0.45 H new ATOM 0 HZ2 TRP A 36 2.627 -8.611 1.034 1.00 0.53 H new ATOM 0 HZ3 TRP A 36 2.896 -4.354 1.575 1.00 0.52 H new ATOM 0 HH2 TRP A 36 2.534 -6.303 0.099 1.00 0.55 H new ATOM 584 N LEU A 37 2.049 -3.921 7.133 1.00 0.52 N ATOM 585 CA LEU A 37 1.055 -2.972 6.674 1.00 0.56 C ATOM 586 C LEU A 37 1.380 -2.567 5.236 1.00 0.58 C ATOM 587 O LEU A 37 2.534 -2.647 4.818 1.00 0.46 O ATOM 588 CB LEU A 37 1.012 -1.756 7.603 1.00 0.57 C ATOM 589 CG LEU A 37 0.885 -2.075 9.104 1.00 0.59 C ATOM 590 CD1 LEU A 37 0.570 -0.767 9.838 1.00 0.77 C ATOM 591 CD2 LEU A 37 -0.229 -3.087 9.395 1.00 0.79 C ATOM 0 H LEU A 37 2.772 -3.516 7.728 1.00 0.52 H new ATOM 0 HA LEU A 37 0.067 -3.431 6.693 1.00 0.56 H new ATOM 0 HB2 LEU A 37 1.918 -1.170 7.449 1.00 0.57 H new ATOM 0 HB3 LEU A 37 0.172 -1.126 7.310 1.00 0.57 H new ATOM 0 HG LEU A 37 1.823 -2.517 9.442 1.00 0.59 H new ATOM 0 HD11 LEU A 37 0.474 -0.963 10.906 1.00 0.77 H new ATOM 0 HD12 LEU A 37 1.376 -0.053 9.671 1.00 0.77 H new ATOM 0 HD13 LEU A 37 -0.365 -0.354 9.460 1.00 0.77 H new ATOM 0 HD21 LEU A 37 -0.277 -3.277 10.467 1.00 0.79 H new ATOM 0 HD22 LEU A 37 -1.183 -2.685 9.055 1.00 0.79 H new ATOM 0 HD23 LEU A 37 -0.020 -4.019 8.870 1.00 0.79 H new ATOM 603 N ALA A 38 0.375 -2.139 4.477 1.00 0.79 N ATOM 604 CA ALA A 38 0.529 -1.694 3.105 1.00 0.80 C ATOM 605 C ALA A 38 -0.324 -0.449 2.891 1.00 0.94 C ATOM 606 O ALA A 38 -1.500 -0.433 3.253 1.00 1.23 O ATOM 607 CB ALA A 38 0.137 -2.820 2.150 1.00 0.86 C ATOM 0 H ALA A 38 -0.588 -2.093 4.811 1.00 0.79 H new ATOM 0 HA ALA A 38 1.569 -1.438 2.902 1.00 0.80 H new ATOM 0 HB1 ALA A 38 0.254 -2.481 1.121 1.00 0.86 H new ATOM 0 HB2 ALA A 38 0.779 -3.684 2.323 1.00 0.86 H new ATOM 0 HB3 ALA A 38 -0.902 -3.099 2.324 1.00 0.86 H new ATOM 613 N ASP A 39 0.274 0.578 2.296 1.00 0.91 N ATOM 614 CA ASP A 39 -0.423 1.752 1.798 1.00 0.97 C ATOM 615 C ASP A 39 -0.592 1.588 0.293 1.00 0.77 C ATOM 616 O ASP A 39 -0.067 0.649 -0.308 1.00 1.64 O ATOM 617 CB ASP A 39 0.329 3.064 2.088 1.00 1.56 C ATOM 618 CG ASP A 39 1.307 3.011 3.251 1.00 2.23 C ATOM 619 OD1 ASP A 39 0.864 2.681 4.370 1.00 2.36 O ATOM 620 OD2 ASP A 39 2.484 3.346 2.989 1.00 3.72 O ATOM 0 H ASP A 39 1.282 0.615 2.144 1.00 0.91 H new ATOM 0 HA ASP A 39 -1.383 1.823 2.310 1.00 0.97 H new ATOM 0 HB2 ASP A 39 0.874 3.357 1.190 1.00 1.56 H new ATOM 0 HB3 ASP A 39 -0.403 3.847 2.286 1.00 1.56 H new ATOM 625 N PHE A 40 -1.288 2.542 -0.319 1.00 1.03 N ATOM 626 CA PHE A 40 -1.579 2.579 -1.740 1.00 1.30 C ATOM 627 C PHE A 40 -1.671 4.059 -2.118 1.00 0.97 C ATOM 628 O PHE A 40 -2.502 4.751 -1.532 1.00 1.28 O ATOM 629 CB PHE A 40 -2.912 1.851 -1.966 1.00 2.40 C ATOM 630 CG PHE A 40 -2.879 0.602 -2.818 1.00 0.95 C ATOM 631 CD1 PHE A 40 -2.843 0.750 -4.217 1.00 1.92 C ATOM 632 CD2 PHE A 40 -3.266 -0.631 -2.259 1.00 2.14 C ATOM 633 CE1 PHE A 40 -3.312 -0.279 -5.048 1.00 2.87 C ATOM 634 CE2 PHE A 40 -3.717 -1.671 -3.092 1.00 2.75 C ATOM 635 CZ PHE A 40 -3.768 -1.481 -4.484 1.00 2.89 C ATOM 0 H PHE A 40 -1.677 3.339 0.185 1.00 1.03 H new ATOM 0 HA PHE A 40 -0.819 2.091 -2.351 1.00 1.30 H new ATOM 0 HB2 PHE A 40 -3.322 1.585 -0.992 1.00 2.40 H new ATOM 0 HB3 PHE A 40 -3.608 2.554 -2.423 1.00 2.40 H new ATOM 0 HD1 PHE A 40 -2.453 1.658 -4.652 1.00 1.92 H new ATOM 0 HD2 PHE A 40 -3.217 -0.778 -1.190 1.00 2.14 H new ATOM 0 HE1 PHE A 40 -3.322 -0.146 -6.120 1.00 2.87 H new ATOM 0 HE2 PHE A 40 -4.023 -2.614 -2.663 1.00 2.75 H new ATOM 0 HZ PHE A 40 -4.159 -2.261 -5.121 1.00 2.89 H new ATOM 645 N ILE A 41 -0.824 4.565 -3.027 1.00 0.84 N ATOM 646 CA ILE A 41 -0.872 5.965 -3.471 1.00 0.79 C ATOM 647 C ILE A 41 -0.292 6.123 -4.882 1.00 0.90 C ATOM 648 O ILE A 41 0.611 5.381 -5.267 1.00 1.00 O ATOM 649 CB ILE A 41 -0.146 6.937 -2.506 1.00 1.07 C ATOM 650 CG1 ILE A 41 1.391 6.813 -2.477 1.00 1.51 C ATOM 651 CG2 ILE A 41 -0.710 6.974 -1.078 1.00 1.33 C ATOM 652 CD1 ILE A 41 1.931 5.435 -2.081 1.00 2.10 C ATOM 0 H ILE A 41 -0.089 4.017 -3.473 1.00 0.84 H new ATOM 0 HA ILE A 41 -1.929 6.233 -3.477 1.00 0.79 H new ATOM 0 HB ILE A 41 -0.373 7.899 -2.965 1.00 1.07 H new ATOM 0 HG12 ILE A 41 1.778 7.066 -3.464 1.00 1.51 H new ATOM 0 HG13 ILE A 41 1.785 7.553 -1.781 1.00 1.51 H new ATOM 0 HG21 ILE A 41 -0.137 7.682 -0.479 1.00 1.33 H new ATOM 0 HG22 ILE A 41 -1.754 7.285 -1.107 1.00 1.33 H new ATOM 0 HG23 ILE A 41 -0.639 5.981 -0.633 1.00 1.33 H new ATOM 0 HD11 ILE A 41 3.021 5.454 -2.092 1.00 2.10 H new ATOM 0 HD12 ILE A 41 1.582 5.181 -1.080 1.00 2.10 H new ATOM 0 HD13 ILE A 41 1.575 4.687 -2.789 1.00 2.10 H new ATOM 664 N PHE A 42 -0.764 7.138 -5.619 1.00 1.02 N ATOM 665 CA PHE A 42 -0.227 7.582 -6.912 1.00 1.34 C ATOM 666 C PHE A 42 0.576 8.876 -6.803 1.00 1.77 C ATOM 667 O PHE A 42 0.996 9.406 -7.825 1.00 3.76 O ATOM 668 CB PHE A 42 -1.355 7.773 -7.944 1.00 1.28 C ATOM 669 CG PHE A 42 -2.741 7.951 -7.358 1.00 1.14 C ATOM 670 CD1 PHE A 42 -3.153 9.199 -6.854 1.00 1.52 C ATOM 671 CD2 PHE A 42 -3.597 6.841 -7.253 1.00 2.31 C ATOM 672 CE1 PHE A 42 -4.424 9.334 -6.266 1.00 1.61 C ATOM 673 CE2 PHE A 42 -4.876 6.986 -6.700 1.00 2.20 C ATOM 674 CZ PHE A 42 -5.285 8.227 -6.191 1.00 1.02 C ATOM 0 H PHE A 42 -1.564 7.695 -5.318 1.00 1.02 H new ATOM 0 HA PHE A 42 0.447 6.793 -7.244 1.00 1.34 H new ATOM 0 HB2 PHE A 42 -1.122 8.644 -8.556 1.00 1.28 H new ATOM 0 HB3 PHE A 42 -1.367 6.910 -8.609 1.00 1.28 H new ATOM 0 HD1 PHE A 42 -2.494 10.052 -6.919 1.00 1.52 H new ATOM 0 HD2 PHE A 42 -3.267 5.873 -7.600 1.00 2.31 H new ATOM 0 HE1 PHE A 42 -4.738 10.289 -5.872 1.00 1.61 H new ATOM 0 HE2 PHE A 42 -5.548 6.141 -6.666 1.00 2.20 H new ATOM 0 HZ PHE A 42 -6.261 8.331 -5.742 1.00 1.02 H new ATOM 684 N THR A 43 0.787 9.387 -5.586 1.00 1.23 N ATOM 685 CA THR A 43 1.387 10.691 -5.337 1.00 1.22 C ATOM 686 C THR A 43 0.709 11.794 -6.176 1.00 1.43 C ATOM 687 O THR A 43 -0.421 11.629 -6.633 1.00 2.86 O ATOM 688 CB THR A 43 2.933 10.614 -5.385 1.00 1.46 C ATOM 689 OG1 THR A 43 3.535 11.843 -5.026 1.00 1.65 O ATOM 690 CG2 THR A 43 3.494 10.209 -6.740 1.00 2.87 C ATOM 0 H THR A 43 0.538 8.890 -4.731 1.00 1.23 H new ATOM 0 HA THR A 43 1.185 11.007 -4.313 1.00 1.22 H new ATOM 0 HB THR A 43 3.177 9.836 -4.662 1.00 1.46 H new ATOM 0 HG1 THR A 43 4.496 11.709 -4.888 1.00 1.65 H new ATOM 0 HG21 THR A 43 4.582 10.179 -6.689 1.00 2.87 H new ATOM 0 HG22 THR A 43 3.116 9.223 -7.010 1.00 2.87 H new ATOM 0 HG23 THR A 43 3.186 10.935 -7.493 1.00 2.87 H new ATOM 771 N CYS A 49 -6.499 17.066 -0.449 1.00 2.72 N ATOM 772 CA CYS A 49 -7.479 17.546 0.518 1.00 2.75 C ATOM 773 C CYS A 49 -7.438 16.772 1.849 1.00 2.12 C ATOM 774 O CYS A 49 -7.240 17.396 2.891 1.00 1.99 O ATOM 775 CB CYS A 49 -8.874 17.603 -0.109 1.00 3.28 C ATOM 776 SG CYS A 49 -10.082 17.941 1.198 1.00 3.87 S ATOM 0 HA CYS A 49 -7.206 18.567 0.786 1.00 2.75 H new ATOM 0 HB2 CYS A 49 -8.914 18.381 -0.872 1.00 3.28 H new ATOM 0 HB3 CYS A 49 -9.105 16.659 -0.603 1.00 3.28 H new ATOM 0 HG CYS A 49 -11.275 17.995 0.683 1.00 3.87 H new ATOM 782 N PRO A 50 -7.627 15.442 1.874 1.00 1.96 N ATOM 783 CA PRO A 50 -7.685 14.697 3.124 1.00 1.70 C ATOM 784 C PRO A 50 -6.283 14.465 3.711 1.00 1.31 C ATOM 785 O PRO A 50 -5.291 14.515 2.985 1.00 1.27 O ATOM 786 CB PRO A 50 -8.346 13.365 2.759 1.00 2.16 C ATOM 787 CG PRO A 50 -7.874 13.145 1.321 1.00 2.40 C ATOM 788 CD PRO A 50 -7.896 14.560 0.750 1.00 2.35 C ATOM 0 HA PRO A 50 -8.241 15.241 3.888 1.00 1.70 H new ATOM 0 HB2 PRO A 50 -8.026 12.559 3.419 1.00 2.16 H new ATOM 0 HB3 PRO A 50 -9.433 13.419 2.826 1.00 2.16 H new ATOM 0 HG2 PRO A 50 -6.877 12.707 1.283 1.00 2.40 H new ATOM 0 HG3 PRO A 50 -8.537 12.475 0.773 1.00 2.40 H new ATOM 0 HD2 PRO A 50 -7.144 14.679 -0.030 1.00 2.35 H new ATOM 0 HD3 PRO A 50 -8.862 14.785 0.298 1.00 2.35 H new ATOM 796 N PRO A 51 -6.189 14.157 5.017 1.00 1.22 N ATOM 797 CA PRO A 51 -4.948 13.782 5.692 1.00 1.10 C ATOM 798 C PRO A 51 -4.495 12.384 5.254 1.00 1.21 C ATOM 799 O PRO A 51 -4.512 11.431 6.028 1.00 1.63 O ATOM 800 CB PRO A 51 -5.279 13.898 7.181 1.00 1.39 C ATOM 801 CG PRO A 51 -6.773 13.594 7.257 1.00 1.63 C ATOM 802 CD PRO A 51 -7.307 14.170 5.950 1.00 1.44 C ATOM 0 HA PRO A 51 -4.100 14.420 5.443 1.00 1.10 H new ATOM 0 HB2 PRO A 51 -4.698 13.192 7.774 1.00 1.39 H new ATOM 0 HB3 PRO A 51 -5.055 14.894 7.562 1.00 1.39 H new ATOM 0 HG2 PRO A 51 -6.964 12.524 7.334 1.00 1.63 H new ATOM 0 HG3 PRO A 51 -7.237 14.064 8.124 1.00 1.63 H new ATOM 0 HD2 PRO A 51 -8.137 13.574 5.572 1.00 1.44 H new ATOM 0 HD3 PRO A 51 -7.682 15.183 6.095 1.00 1.44 H new ATOM 810 N MET A 52 -4.080 12.274 3.992 1.00 1.09 N ATOM 811 CA MET A 52 -3.903 11.014 3.283 1.00 1.28 C ATOM 812 C MET A 52 -2.913 10.089 3.994 1.00 1.17 C ATOM 813 O MET A 52 -3.310 9.075 4.559 1.00 1.33 O ATOM 814 CB MET A 52 -3.521 11.305 1.823 1.00 1.44 C ATOM 815 CG MET A 52 -3.470 10.029 0.972 1.00 1.82 C ATOM 816 SD MET A 52 -3.163 10.268 -0.801 1.00 1.79 S ATOM 817 CE MET A 52 -4.689 11.094 -1.310 1.00 2.16 C ATOM 0 H MET A 52 -3.851 13.087 3.420 1.00 1.09 H new ATOM 0 HA MET A 52 -4.845 10.466 3.281 1.00 1.28 H new ATOM 0 HB2 MET A 52 -4.243 11.999 1.392 1.00 1.44 H new ATOM 0 HB3 MET A 52 -2.549 11.798 1.795 1.00 1.44 H new ATOM 0 HG2 MET A 52 -2.690 9.380 1.371 1.00 1.82 H new ATOM 0 HG3 MET A 52 -4.416 9.500 1.089 1.00 1.82 H new ATOM 0 HE1 MET A 52 -4.737 11.131 -2.398 1.00 2.16 H new ATOM 0 HE2 MET A 52 -5.547 10.541 -0.927 1.00 2.16 H new ATOM 0 HE3 MET A 52 -4.704 12.108 -0.912 1.00 2.16 H new ATOM 827 N THR A 53 -1.620 10.420 3.979 1.00 1.02 N ATOM 828 CA THR A 53 -0.593 9.559 4.550 1.00 0.97 C ATOM 829 C THR A 53 -0.413 9.869 6.044 1.00 0.91 C ATOM 830 O THR A 53 0.427 9.263 6.701 1.00 1.40 O ATOM 831 CB THR A 53 0.652 9.696 3.659 1.00 1.08 C ATOM 832 OG1 THR A 53 0.253 9.466 2.323 1.00 1.45 O ATOM 833 CG2 THR A 53 1.787 8.729 3.975 1.00 1.19 C ATOM 0 H THR A 53 -1.262 11.285 3.574 1.00 1.02 H new ATOM 0 HA THR A 53 -0.859 8.502 4.549 1.00 0.97 H new ATOM 0 HB THR A 53 1.045 10.697 3.838 1.00 1.08 H new ATOM 0 HG1 THR A 53 0.782 10.031 1.722 1.00 1.45 H new ATOM 0 HG21 THR A 53 2.617 8.907 3.292 1.00 1.19 H new ATOM 0 HG22 THR A 53 2.122 8.884 5.001 1.00 1.19 H new ATOM 0 HG23 THR A 53 1.435 7.704 3.859 1.00 1.19 H new ATOM 841 N ALA A 54 -1.235 10.768 6.605 1.00 0.73 N ATOM 842 CA ALA A 54 -1.177 11.160 8.006 1.00 0.67 C ATOM 843 C ALA A 54 -1.304 9.931 8.900 1.00 0.64 C ATOM 844 O ALA A 54 -0.486 9.704 9.786 1.00 0.65 O ATOM 845 CB ALA A 54 -2.301 12.153 8.314 1.00 0.86 C ATOM 0 H ALA A 54 -1.968 11.247 6.082 1.00 0.73 H new ATOM 0 HA ALA A 54 -0.217 11.638 8.202 1.00 0.67 H new ATOM 0 HB1 ALA A 54 -2.253 12.443 9.364 1.00 0.86 H new ATOM 0 HB2 ALA A 54 -2.187 13.038 7.688 1.00 0.86 H new ATOM 0 HB3 ALA A 54 -3.265 11.686 8.110 1.00 0.86 H new ATOM 851 N HIS A 55 -2.335 9.125 8.641 1.00 0.70 N ATOM 852 CA HIS A 55 -2.669 7.964 9.444 1.00 0.74 C ATOM 853 C HIS A 55 -1.505 6.992 9.395 1.00 0.66 C ATOM 854 O HIS A 55 -1.057 6.482 10.414 1.00 0.64 O ATOM 855 CB HIS A 55 -3.946 7.328 8.896 1.00 0.83 C ATOM 856 CG HIS A 55 -5.034 8.344 8.692 1.00 0.85 C ATOM 857 ND1 HIS A 55 -5.462 8.828 7.479 1.00 0.95 N ATOM 858 CD2 HIS A 55 -5.647 9.077 9.672 1.00 0.91 C ATOM 859 CE1 HIS A 55 -6.379 9.774 7.723 1.00 1.00 C ATOM 860 NE2 HIS A 55 -6.525 9.968 9.045 1.00 0.96 N ATOM 0 H HIS A 55 -2.967 9.269 7.853 1.00 0.70 H new ATOM 0 HA HIS A 55 -2.847 8.246 10.482 1.00 0.74 H new ATOM 0 HB2 HIS A 55 -3.728 6.834 7.949 1.00 0.83 H new ATOM 0 HB3 HIS A 55 -4.293 6.558 9.585 1.00 0.83 H new ATOM 0 HD2 HIS A 55 -5.483 8.985 10.735 1.00 0.91 H new ATOM 0 HE1 HIS A 55 -6.927 10.308 6.961 1.00 1.00 H new ATOM 0 HE2 HIS A 55 -7.151 10.632 9.500 1.00 0.96 H new ATOM 868 N MET A 56 -0.990 6.762 8.190 1.00 0.63 N ATOM 869 CA MET A 56 0.190 5.957 7.989 1.00 0.60 C ATOM 870 C MET A 56 1.362 6.445 8.862 1.00 0.54 C ATOM 871 O MET A 56 2.064 5.617 9.439 1.00 0.55 O ATOM 872 CB MET A 56 0.519 5.865 6.493 1.00 0.64 C ATOM 873 CG MET A 56 -0.502 5.160 5.581 1.00 0.74 C ATOM 874 SD MET A 56 -2.141 5.911 5.360 1.00 1.92 S ATOM 875 CE MET A 56 -2.250 5.980 3.558 1.00 2.18 C ATOM 0 H MET A 56 -1.388 7.135 7.328 1.00 0.63 H new ATOM 0 HA MET A 56 -0.006 4.939 8.325 1.00 0.60 H new ATOM 0 HB2 MET A 56 0.662 6.878 6.117 1.00 0.64 H new ATOM 0 HB3 MET A 56 1.474 5.349 6.390 1.00 0.64 H new ATOM 0 HG2 MET A 56 -0.049 5.059 4.595 1.00 0.74 H new ATOM 0 HG3 MET A 56 -0.650 4.152 5.968 1.00 0.74 H new ATOM 0 HE1 MET A 56 -3.172 6.483 3.268 1.00 2.18 H new ATOM 0 HE2 MET A 56 -1.396 6.531 3.163 1.00 2.18 H new ATOM 0 HE3 MET A 56 -2.247 4.968 3.154 1.00 2.18 H new ATOM 885 N THR A 57 1.573 7.760 9.024 1.00 0.53 N ATOM 886 CA THR A 57 2.639 8.241 9.904 1.00 0.55 C ATOM 887 C THR A 57 2.303 8.037 11.374 1.00 0.57 C ATOM 888 O THR A 57 3.138 7.549 12.141 1.00 0.61 O ATOM 889 CB THR A 57 3.120 9.669 9.612 1.00 0.62 C ATOM 890 OG1 THR A 57 2.732 10.632 10.568 1.00 2.12 O ATOM 891 CG2 THR A 57 2.764 10.222 8.235 1.00 1.74 C ATOM 0 H THR A 57 1.030 8.493 8.566 1.00 0.53 H new ATOM 0 HA THR A 57 3.496 7.610 9.669 1.00 0.55 H new ATOM 0 HB THR A 57 4.199 9.519 9.658 1.00 0.62 H new ATOM 0 HG1 THR A 57 3.424 11.323 10.636 1.00 2.12 H new ATOM 0 HG21 THR A 57 3.153 11.236 8.138 1.00 1.74 H new ATOM 0 HG22 THR A 57 3.204 9.589 7.464 1.00 1.74 H new ATOM 0 HG23 THR A 57 1.680 10.236 8.118 1.00 1.74 H new ATOM 899 N ASP A 58 1.072 8.379 11.763 1.00 0.59 N ATOM 900 CA ASP A 58 0.593 8.115 13.108 1.00 0.66 C ATOM 901 C ASP A 58 0.840 6.647 13.458 1.00 0.68 C ATOM 902 O ASP A 58 1.302 6.307 14.545 1.00 0.76 O ATOM 903 CB ASP A 58 -0.881 8.474 13.255 1.00 0.71 C ATOM 904 CG ASP A 58 -1.331 8.249 14.691 1.00 1.66 C ATOM 905 OD1 ASP A 58 -0.880 9.031 15.556 1.00 2.20 O ATOM 906 OD2 ASP A 58 -2.105 7.290 14.900 1.00 2.99 O ATOM 0 H ASP A 58 0.393 8.840 11.158 1.00 0.59 H new ATOM 0 HA ASP A 58 1.145 8.745 13.806 1.00 0.66 H new ATOM 0 HB2 ASP A 58 -1.040 9.515 12.974 1.00 0.71 H new ATOM 0 HB3 ASP A 58 -1.481 7.866 12.578 1.00 0.71 H new ATOM 911 N LEU A 59 0.594 5.778 12.476 1.00 0.63 N ATOM 912 CA LEU A 59 0.844 4.359 12.625 1.00 0.64 C ATOM 913 C LEU A 59 2.338 4.061 12.634 1.00 0.66 C ATOM 914 O LEU A 59 2.736 3.238 13.441 1.00 0.80 O ATOM 915 CB LEU A 59 0.058 3.493 11.627 1.00 0.62 C ATOM 916 CG LEU A 59 -1.284 3.019 12.209 1.00 0.77 C ATOM 917 CD1 LEU A 59 -2.315 4.130 12.067 1.00 1.14 C ATOM 918 CD2 LEU A 59 -1.786 1.754 11.507 1.00 0.89 C ATOM 0 H LEU A 59 0.219 6.043 11.565 1.00 0.63 H new ATOM 0 HA LEU A 59 0.455 4.070 13.602 1.00 0.64 H new ATOM 0 HB2 LEU A 59 -0.123 4.063 10.716 1.00 0.62 H new ATOM 0 HB3 LEU A 59 0.658 2.627 11.347 1.00 0.62 H new ATOM 0 HG LEU A 59 -1.134 2.779 13.262 1.00 0.77 H new ATOM 0 HD11 LEU A 59 -3.268 3.797 12.479 1.00 1.14 H new ATOM 0 HD12 LEU A 59 -1.975 5.013 12.608 1.00 1.14 H new ATOM 0 HD13 LEU A 59 -2.442 4.376 11.013 1.00 1.14 H new ATOM 0 HD21 LEU A 59 -2.736 1.448 11.944 1.00 0.89 H new ATOM 0 HD22 LEU A 59 -1.924 1.958 10.445 1.00 0.89 H new ATOM 0 HD23 LEU A 59 -1.055 0.955 11.631 1.00 0.89 H new ATOM 930 N GLN A 60 3.176 4.702 11.807 1.00 0.57 N ATOM 931 CA GLN A 60 4.626 4.480 11.794 1.00 0.56 C ATOM 932 C GLN A 60 5.199 4.563 13.214 1.00 0.57 C ATOM 933 O GLN A 60 6.078 3.788 13.597 1.00 0.59 O ATOM 934 CB GLN A 60 5.329 5.469 10.846 1.00 0.58 C ATOM 935 CG GLN A 60 6.857 5.300 10.719 1.00 0.82 C ATOM 936 CD GLN A 60 7.307 4.011 10.023 1.00 1.30 C ATOM 937 OE1 GLN A 60 6.824 2.925 10.311 1.00 2.86 O ATOM 938 NE2 GLN A 60 8.262 4.097 9.103 1.00 1.58 N ATOM 0 H GLN A 60 2.863 5.393 11.125 1.00 0.57 H new ATOM 0 HA GLN A 60 4.814 3.475 11.416 1.00 0.56 H new ATOM 0 HB2 GLN A 60 4.887 5.370 9.854 1.00 0.58 H new ATOM 0 HB3 GLN A 60 5.121 6.483 11.188 1.00 0.58 H new ATOM 0 HG2 GLN A 60 7.258 6.152 10.169 1.00 0.82 H new ATOM 0 HG3 GLN A 60 7.296 5.329 11.716 1.00 0.82 H new ATOM 0 HE21 GLN A 60 8.662 5.005 8.866 1.00 1.58 H new ATOM 0 HE22 GLN A 60 8.595 3.255 8.634 1.00 1.58 H new ATOM 947 N LYS A 61 4.684 5.502 14.009 1.00 0.61 N ATOM 948 CA LYS A 61 5.059 5.612 15.410 1.00 0.67 C ATOM 949 C LYS A 61 4.861 4.282 16.153 1.00 0.70 C ATOM 950 O LYS A 61 5.806 3.748 16.731 1.00 0.77 O ATOM 951 CB LYS A 61 4.291 6.763 16.061 1.00 0.75 C ATOM 952 CG LYS A 61 4.670 6.968 17.532 1.00 0.79 C ATOM 953 CD LYS A 61 4.030 8.277 18.011 1.00 0.94 C ATOM 954 CE LYS A 61 4.302 8.523 19.500 1.00 2.67 C ATOM 955 NZ LYS A 61 3.652 9.764 19.973 1.00 3.30 N ATOM 0 H LYS A 61 4.004 6.197 13.701 1.00 0.61 H new ATOM 0 HA LYS A 61 6.123 5.838 15.475 1.00 0.67 H new ATOM 0 HB2 LYS A 61 4.485 7.682 15.508 1.00 0.75 H new ATOM 0 HB3 LYS A 61 3.221 6.567 15.989 1.00 0.75 H new ATOM 0 HG2 LYS A 61 4.320 6.130 18.135 1.00 0.79 H new ATOM 0 HG3 LYS A 61 5.753 7.011 17.644 1.00 0.79 H new ATOM 0 HD2 LYS A 61 4.421 9.110 17.426 1.00 0.94 H new ATOM 0 HD3 LYS A 61 2.954 8.242 17.837 1.00 0.94 H new ATOM 0 HE2 LYS A 61 3.938 7.676 20.082 1.00 2.67 H new ATOM 0 HE3 LYS A 61 5.377 8.587 19.669 1.00 2.67 H new ATOM 0 HZ1 LYS A 61 3.857 9.900 20.984 1.00 3.30 H new ATOM 0 HZ2 LYS A 61 4.018 10.575 19.434 1.00 3.30 H new ATOM 0 HZ3 LYS A 61 2.624 9.692 19.835 1.00 3.30 H new ATOM 969 N LYS A 62 3.637 3.750 16.148 1.00 0.71 N ATOM 970 CA LYS A 62 3.319 2.445 16.712 1.00 0.76 C ATOM 971 C LYS A 62 4.171 1.356 16.056 1.00 0.68 C ATOM 972 O LYS A 62 4.706 0.491 16.740 1.00 0.79 O ATOM 973 CB LYS A 62 1.817 2.181 16.498 1.00 0.83 C ATOM 974 CG LYS A 62 1.333 0.870 17.124 1.00 1.67 C ATOM 975 CD LYS A 62 1.156 1.012 18.639 1.00 2.75 C ATOM 976 CE LYS A 62 0.969 -0.391 19.236 1.00 3.83 C ATOM 977 NZ LYS A 62 0.539 -0.367 20.646 1.00 5.13 N ATOM 0 H LYS A 62 2.829 4.225 15.745 1.00 0.71 H new ATOM 0 HA LYS A 62 3.543 2.431 17.779 1.00 0.76 H new ATOM 0 HB2 LYS A 62 1.247 3.008 16.920 1.00 0.83 H new ATOM 0 HB3 LYS A 62 1.608 2.163 15.428 1.00 0.83 H new ATOM 0 HG2 LYS A 62 0.387 0.575 16.671 1.00 1.67 H new ATOM 0 HG3 LYS A 62 2.049 0.076 16.912 1.00 1.67 H new ATOM 0 HD2 LYS A 62 2.026 1.499 19.079 1.00 2.75 H new ATOM 0 HD3 LYS A 62 0.293 1.638 18.863 1.00 2.75 H new ATOM 0 HE2 LYS A 62 0.231 -0.935 18.646 1.00 3.83 H new ATOM 0 HE3 LYS A 62 1.907 -0.941 19.158 1.00 3.83 H new ATOM 0 HZ1 LYS A 62 0.430 -1.342 20.992 1.00 5.13 H new ATOM 0 HZ2 LYS A 62 1.254 0.126 21.219 1.00 5.13 H new ATOM 0 HZ3 LYS A 62 -0.370 0.132 20.723 1.00 5.13 H new ATOM 991 N LEU A 63 4.285 1.408 14.730 1.00 0.53 N ATOM 992 CA LEU A 63 4.987 0.470 13.875 1.00 0.44 C ATOM 993 C LEU A 63 6.339 0.130 14.480 1.00 0.53 C ATOM 994 O LEU A 63 6.661 -1.040 14.615 1.00 0.51 O ATOM 995 CB LEU A 63 5.102 1.049 12.471 1.00 0.53 C ATOM 996 CG LEU A 63 5.213 0.014 11.358 1.00 0.73 C ATOM 997 CD1 LEU A 63 6.394 -0.928 11.559 1.00 1.16 C ATOM 998 CD2 LEU A 63 3.906 -0.745 11.117 1.00 1.04 C ATOM 0 H LEU A 63 3.857 2.162 14.193 1.00 0.53 H new ATOM 0 HA LEU A 63 4.428 -0.463 13.799 1.00 0.44 H new ATOM 0 HB2 LEU A 63 4.231 1.675 12.279 1.00 0.53 H new ATOM 0 HB3 LEU A 63 5.976 1.699 12.432 1.00 0.53 H new ATOM 0 HG LEU A 63 5.410 0.577 10.446 1.00 0.73 H new ATOM 0 HD11 LEU A 63 6.430 -1.646 10.740 1.00 1.16 H new ATOM 0 HD12 LEU A 63 7.319 -0.352 11.578 1.00 1.16 H new ATOM 0 HD13 LEU A 63 6.279 -1.460 12.503 1.00 1.16 H new ATOM 0 HD21 LEU A 63 4.048 -1.468 10.313 1.00 1.04 H new ATOM 0 HD22 LEU A 63 3.616 -1.268 12.028 1.00 1.04 H new ATOM 0 HD23 LEU A 63 3.122 -0.041 10.838 1.00 1.04 H new ATOM 1010 N LYS A 64 7.105 1.130 14.921 1.00 0.76 N ATOM 1011 CA LYS A 64 8.391 0.924 15.588 1.00 0.97 C ATOM 1012 C LYS A 64 8.374 -0.219 16.633 1.00 1.08 C ATOM 1013 O LYS A 64 9.371 -0.909 16.808 1.00 1.24 O ATOM 1014 CB LYS A 64 8.842 2.256 16.217 1.00 1.08 C ATOM 1015 CG LYS A 64 10.345 2.522 16.052 1.00 1.43 C ATOM 1016 CD LYS A 64 10.683 3.030 14.638 1.00 1.45 C ATOM 1017 CE LYS A 64 12.172 3.397 14.545 1.00 2.38 C ATOM 1018 NZ LYS A 64 12.571 3.851 13.194 1.00 2.70 N ATOM 0 H LYS A 64 6.848 2.112 14.824 1.00 0.76 H new ATOM 0 HA LYS A 64 9.109 0.602 14.834 1.00 0.97 H new ATOM 0 HB2 LYS A 64 8.282 3.073 15.762 1.00 1.08 H new ATOM 0 HB3 LYS A 64 8.594 2.252 17.278 1.00 1.08 H new ATOM 0 HG2 LYS A 64 10.667 3.257 16.789 1.00 1.43 H new ATOM 0 HG3 LYS A 64 10.901 1.606 16.252 1.00 1.43 H new ATOM 0 HD2 LYS A 64 10.444 2.263 13.902 1.00 1.45 H new ATOM 0 HD3 LYS A 64 10.071 3.901 14.401 1.00 1.45 H new ATOM 0 HE2 LYS A 64 12.393 4.183 15.267 1.00 2.38 H new ATOM 0 HE3 LYS A 64 12.772 2.531 14.824 1.00 2.38 H new ATOM 0 HZ1 LYS A 64 13.594 3.713 13.070 1.00 2.70 H new ATOM 0 HZ2 LYS A 64 12.058 3.300 12.477 1.00 2.70 H new ATOM 0 HZ3 LYS A 64 12.342 4.860 13.085 1.00 2.70 H new ATOM 1032 N ALA A 65 7.262 -0.382 17.355 1.00 1.06 N ATOM 1033 CA ALA A 65 6.987 -1.465 18.303 1.00 1.18 C ATOM 1034 C ALA A 65 6.567 -2.779 17.645 1.00 1.01 C ATOM 1035 O ALA A 65 6.926 -3.855 18.117 1.00 1.16 O ATOM 1036 CB ALA A 65 5.936 -1.002 19.317 1.00 1.33 C ATOM 0 H ALA A 65 6.485 0.276 17.290 1.00 1.06 H new ATOM 0 HA ALA A 65 7.927 -1.686 18.808 1.00 1.18 H new ATOM 0 HB1 ALA A 65 5.731 -1.807 20.022 1.00 1.33 H new ATOM 0 HB2 ALA A 65 6.310 -0.133 19.858 1.00 1.33 H new ATOM 0 HB3 ALA A 65 5.018 -0.736 18.793 1.00 1.33 H new ATOM 1042 N GLU A 66 5.788 -2.689 16.568 1.00 0.74 N ATOM 1043 CA GLU A 66 5.369 -3.817 15.765 1.00 0.67 C ATOM 1044 C GLU A 66 6.580 -4.324 14.988 1.00 0.59 C ATOM 1045 O GLU A 66 6.551 -5.434 14.465 1.00 0.57 O ATOM 1046 CB GLU A 66 4.269 -3.403 14.776 1.00 0.68 C ATOM 1047 CG GLU A 66 3.172 -2.492 15.341 1.00 0.83 C ATOM 1048 CD GLU A 66 2.331 -3.149 16.431 1.00 0.84 C ATOM 1049 OE1 GLU A 66 2.187 -4.388 16.388 1.00 1.87 O ATOM 1050 OE2 GLU A 66 1.815 -2.389 17.278 1.00 1.65 O ATOM 0 H GLU A 66 5.425 -1.799 16.227 1.00 0.74 H new ATOM 0 HA GLU A 66 4.970 -4.596 16.415 1.00 0.67 H new ATOM 0 HB2 GLU A 66 4.737 -2.896 13.932 1.00 0.68 H new ATOM 0 HB3 GLU A 66 3.800 -4.306 14.385 1.00 0.68 H new ATOM 0 HG2 GLU A 66 3.633 -1.590 15.744 1.00 0.83 H new ATOM 0 HG3 GLU A 66 2.517 -2.179 14.528 1.00 0.83 H new ATOM 1057 N ASN A 67 7.637 -3.505 14.879 1.00 0.62 N ATOM 1058 CA ASN A 67 8.776 -3.687 14.009 1.00 0.59 C ATOM 1059 C ASN A 67 9.736 -4.773 14.493 1.00 1.00 C ATOM 1060 O ASN A 67 10.951 -4.602 14.461 1.00 2.14 O ATOM 1061 CB ASN A 67 9.494 -2.348 13.812 1.00 1.00 C ATOM 1062 CG ASN A 67 10.559 -2.391 12.728 1.00 1.81 C ATOM 1063 OD1 ASN A 67 11.598 -1.750 12.857 1.00 2.48 O ATOM 1064 ND2 ASN A 67 10.294 -3.080 11.623 1.00 2.64 N ATOM 0 H ASN A 67 7.710 -2.652 15.434 1.00 0.62 H new ATOM 0 HA ASN A 67 8.401 -4.039 13.048 1.00 0.59 H new ATOM 0 HB2 ASN A 67 8.759 -1.583 13.560 1.00 1.00 H new ATOM 0 HB3 ASN A 67 9.955 -2.049 14.753 1.00 1.00 H new ATOM 0 HD21 ASN A 67 10.963 -3.086 10.853 1.00 2.64 H new ATOM 0 HD22 ASN A 67 9.422 -3.603 11.545 1.00 2.64 H new ATOM 1071 N ILE A 68 9.179 -5.903 14.920 1.00 0.64 N ATOM 1072 CA ILE A 68 9.855 -7.198 14.893 1.00 0.74 C ATOM 1073 C ILE A 68 10.513 -7.358 13.510 1.00 0.73 C ATOM 1074 O ILE A 68 11.728 -7.209 13.407 1.00 0.87 O ATOM 1075 CB ILE A 68 8.888 -8.325 15.305 1.00 0.84 C ATOM 1076 CG1 ILE A 68 8.601 -8.309 16.820 1.00 0.94 C ATOM 1077 CG2 ILE A 68 9.466 -9.708 14.965 1.00 0.95 C ATOM 1078 CD1 ILE A 68 7.803 -7.097 17.316 1.00 0.98 C ATOM 0 H ILE A 68 8.233 -5.946 15.300 1.00 0.64 H new ATOM 0 HA ILE A 68 10.654 -7.260 15.631 1.00 0.74 H new ATOM 0 HB ILE A 68 7.968 -8.147 14.749 1.00 0.84 H new ATOM 0 HG12 ILE A 68 8.055 -9.216 17.081 1.00 0.94 H new ATOM 0 HG13 ILE A 68 9.550 -8.344 17.355 1.00 0.94 H new ATOM 0 HG21 ILE A 68 8.760 -10.482 15.268 1.00 0.95 H new ATOM 0 HG22 ILE A 68 9.640 -9.776 13.891 1.00 0.95 H new ATOM 0 HG23 ILE A 68 10.408 -9.849 15.495 1.00 0.95 H new ATOM 0 HD11 ILE A 68 7.652 -7.177 18.393 1.00 0.98 H new ATOM 0 HD12 ILE A 68 8.354 -6.183 17.093 1.00 0.98 H new ATOM 0 HD13 ILE A 68 6.835 -7.069 16.815 1.00 0.98 H new ATOM 1090 N ASP A 69 9.721 -7.559 12.449 1.00 0.77 N ATOM 1091 CA ASP A 69 10.016 -7.055 11.107 1.00 0.84 C ATOM 1092 C ASP A 69 8.749 -6.923 10.272 1.00 0.81 C ATOM 1093 O ASP A 69 8.662 -7.383 9.133 1.00 1.07 O ATOM 1094 CB ASP A 69 11.070 -7.868 10.378 1.00 1.06 C ATOM 1095 CG ASP A 69 11.524 -7.204 9.072 1.00 1.24 C ATOM 1096 OD1 ASP A 69 11.312 -5.984 8.884 1.00 2.26 O ATOM 1097 OD2 ASP A 69 12.073 -7.922 8.208 1.00 1.69 O ATOM 0 H ASP A 69 8.847 -8.083 12.502 1.00 0.77 H new ATOM 0 HA ASP A 69 10.441 -6.061 11.247 1.00 0.84 H new ATOM 0 HB2 ASP A 69 11.932 -8.007 11.030 1.00 1.06 H new ATOM 0 HB3 ASP A 69 10.673 -8.859 10.159 1.00 1.06 H new ATOM 1102 N VAL A 70 7.771 -6.217 10.829 1.00 0.67 N ATOM 1103 CA VAL A 70 6.760 -5.611 9.986 1.00 0.66 C ATOM 1104 C VAL A 70 7.399 -4.347 9.410 1.00 0.56 C ATOM 1105 O VAL A 70 7.981 -3.546 10.148 1.00 0.66 O ATOM 1106 CB VAL A 70 5.424 -5.369 10.712 1.00 0.77 C ATOM 1107 CG1 VAL A 70 5.001 -6.562 11.562 1.00 0.89 C ATOM 1108 CG2 VAL A 70 5.353 -4.093 11.534 1.00 0.73 C ATOM 0 H VAL A 70 7.661 -6.056 11.830 1.00 0.67 H new ATOM 0 HA VAL A 70 6.465 -6.284 9.181 1.00 0.66 H new ATOM 0 HB VAL A 70 4.715 -5.239 9.894 1.00 0.77 H new ATOM 0 HG11 VAL A 70 4.053 -6.341 12.053 1.00 0.89 H new ATOM 0 HG12 VAL A 70 4.884 -7.439 10.925 1.00 0.89 H new ATOM 0 HG13 VAL A 70 5.763 -6.760 12.316 1.00 0.89 H new ATOM 0 HG21 VAL A 70 4.372 -4.017 12.004 1.00 0.73 H new ATOM 0 HG22 VAL A 70 6.124 -4.113 12.304 1.00 0.73 H new ATOM 0 HG23 VAL A 70 5.512 -3.232 10.884 1.00 0.73 H new ATOM 1118 N ARG A 71 7.311 -4.184 8.093 1.00 0.47 N ATOM 1119 CA ARG A 71 7.624 -2.952 7.398 1.00 0.46 C ATOM 1120 C ARG A 71 6.334 -2.495 6.757 1.00 0.50 C ATOM 1121 O ARG A 71 5.613 -3.299 6.169 1.00 0.78 O ATOM 1122 CB ARG A 71 8.757 -3.163 6.388 1.00 0.60 C ATOM 1123 CG ARG A 71 10.073 -2.808 7.085 1.00 0.61 C ATOM 1124 CD ARG A 71 11.302 -3.323 6.345 1.00 0.58 C ATOM 1125 NE ARG A 71 11.363 -4.784 6.453 1.00 0.62 N ATOM 1126 CZ ARG A 71 11.347 -5.683 5.458 1.00 0.60 C ATOM 1127 NH1 ARG A 71 11.217 -5.330 4.167 1.00 0.63 N ATOM 1128 NH2 ARG A 71 11.467 -6.972 5.786 1.00 0.78 N ATOM 0 H ARG A 71 7.011 -4.931 7.467 1.00 0.47 H new ATOM 0 HA ARG A 71 7.995 -2.183 8.075 1.00 0.46 H new ATOM 0 HB2 ARG A 71 8.774 -4.197 6.042 1.00 0.60 H new ATOM 0 HB3 ARG A 71 8.608 -2.535 5.509 1.00 0.60 H new ATOM 0 HG2 ARG A 71 10.144 -1.725 7.184 1.00 0.61 H new ATOM 0 HG3 ARG A 71 10.065 -3.220 8.094 1.00 0.61 H new ATOM 0 HD2 ARG A 71 11.259 -3.027 5.297 1.00 0.58 H new ATOM 0 HD3 ARG A 71 12.205 -2.879 6.765 1.00 0.58 H new ATOM 0 HE ARG A 71 11.425 -5.162 7.398 1.00 0.62 H new ATOM 0 HH11 ARG A 71 11.126 -4.346 3.914 1.00 0.63 H new ATOM 0 HH12 ARG A 71 11.210 -6.046 3.441 1.00 0.63 H new ATOM 0 HH21 ARG A 71 11.566 -7.242 6.765 1.00 0.78 H new ATOM 0 HH22 ARG A 71 11.459 -7.686 5.058 1.00 0.78 H new ATOM 1142 N ILE A 72 6.025 -1.212 6.915 1.00 0.37 N ATOM 1143 CA ILE A 72 4.859 -0.633 6.294 1.00 0.41 C ATOM 1144 C ILE A 72 5.251 -0.403 4.833 1.00 0.42 C ATOM 1145 O ILE A 72 6.098 0.439 4.542 1.00 0.44 O ATOM 1146 CB ILE A 72 4.415 0.630 7.063 1.00 0.44 C ATOM 1147 CG1 ILE A 72 3.306 1.364 6.296 1.00 0.55 C ATOM 1148 CG2 ILE A 72 5.544 1.588 7.474 1.00 0.43 C ATOM 1149 CD1 ILE A 72 2.763 2.514 7.138 1.00 1.54 C ATOM 0 H ILE A 72 6.575 -0.558 7.472 1.00 0.37 H new ATOM 0 HA ILE A 72 3.979 -1.275 6.324 1.00 0.41 H new ATOM 0 HB ILE A 72 4.025 0.262 8.012 1.00 0.44 H new ATOM 0 HG12 ILE A 72 3.696 1.746 5.353 1.00 0.55 H new ATOM 0 HG13 ILE A 72 2.502 0.670 6.051 1.00 0.55 H new ATOM 0 HG21 ILE A 72 5.122 2.440 8.007 1.00 0.43 H new ATOM 0 HG22 ILE A 72 6.246 1.065 8.123 1.00 0.43 H new ATOM 0 HG23 ILE A 72 6.065 1.939 6.584 1.00 0.43 H new ATOM 0 HD11 ILE A 72 1.977 3.029 6.586 1.00 1.54 H new ATOM 0 HD12 ILE A 72 2.355 2.122 8.070 1.00 1.54 H new ATOM 0 HD13 ILE A 72 3.568 3.214 7.361 1.00 1.54 H new ATOM 1161 N ILE A 73 4.736 -1.212 3.909 1.00 0.43 N ATOM 1162 CA ILE A 73 5.021 -1.022 2.500 1.00 0.46 C ATOM 1163 C ILE A 73 4.107 0.087 1.991 1.00 0.57 C ATOM 1164 O ILE A 73 3.032 0.298 2.540 1.00 0.81 O ATOM 1165 CB ILE A 73 4.835 -2.369 1.781 1.00 0.58 C ATOM 1166 CG1 ILE A 73 6.151 -3.159 1.722 1.00 0.58 C ATOM 1167 CG2 ILE A 73 4.258 -2.262 0.363 1.00 0.71 C ATOM 1168 CD1 ILE A 73 6.709 -3.509 3.104 1.00 0.53 C ATOM 0 H ILE A 73 4.123 -2.000 4.116 1.00 0.43 H new ATOM 0 HA ILE A 73 6.048 -0.709 2.309 1.00 0.46 H new ATOM 0 HB ILE A 73 4.098 -2.897 2.387 1.00 0.58 H new ATOM 0 HG12 ILE A 73 5.990 -4.078 1.159 1.00 0.58 H new ATOM 0 HG13 ILE A 73 6.892 -2.576 1.175 1.00 0.58 H new ATOM 0 HG21 ILE A 73 4.161 -3.259 -0.067 1.00 0.71 H new ATOM 0 HG22 ILE A 73 3.277 -1.788 0.404 1.00 0.71 H new ATOM 0 HG23 ILE A 73 4.925 -1.663 -0.257 1.00 0.71 H new ATOM 0 HD11 ILE A 73 7.639 -4.066 2.990 1.00 0.53 H new ATOM 0 HD12 ILE A 73 6.901 -2.592 3.662 1.00 0.53 H new ATOM 0 HD13 ILE A 73 5.985 -4.118 3.645 1.00 0.53 H new ATOM 1180 N SER A 74 4.508 0.779 0.927 1.00 0.52 N ATOM 1181 CA SER A 74 3.631 1.698 0.220 1.00 0.53 C ATOM 1182 C SER A 74 3.563 1.225 -1.230 1.00 0.75 C ATOM 1183 O SER A 74 4.571 1.267 -1.929 1.00 1.05 O ATOM 1184 CB SER A 74 4.189 3.126 0.328 1.00 0.77 C ATOM 1185 OG SER A 74 3.175 4.072 0.568 1.00 1.57 O ATOM 0 H SER A 74 5.447 0.716 0.535 1.00 0.52 H new ATOM 0 HA SER A 74 2.628 1.712 0.648 1.00 0.53 H new ATOM 0 HB2 SER A 74 4.922 3.169 1.133 1.00 0.77 H new ATOM 0 HB3 SER A 74 4.712 3.381 -0.593 1.00 0.77 H new ATOM 0 HG SER A 74 2.989 4.116 1.529 1.00 1.57 H new ATOM 1191 N PHE A 75 2.407 0.744 -1.678 1.00 1.28 N ATOM 1192 CA PHE A 75 2.204 0.255 -3.030 1.00 1.86 C ATOM 1193 C PHE A 75 2.051 1.473 -3.948 1.00 1.47 C ATOM 1194 O PHE A 75 1.072 2.215 -3.834 1.00 1.33 O ATOM 1195 CB PHE A 75 0.938 -0.620 -3.010 1.00 2.88 C ATOM 1196 CG PHE A 75 0.639 -1.423 -4.258 1.00 1.56 C ATOM 1197 CD1 PHE A 75 0.013 -0.799 -5.353 1.00 2.13 C ATOM 1198 CD2 PHE A 75 0.745 -2.827 -4.227 1.00 2.11 C ATOM 1199 CE1 PHE A 75 -0.525 -1.570 -6.396 1.00 2.30 C ATOM 1200 CE2 PHE A 75 0.177 -3.600 -5.256 1.00 2.32 C ATOM 1201 CZ PHE A 75 -0.458 -2.971 -6.337 1.00 1.99 C ATOM 0 H PHE A 75 1.571 0.684 -1.097 1.00 1.28 H new ATOM 0 HA PHE A 75 3.037 -0.344 -3.398 1.00 1.86 H new ATOM 0 HB2 PHE A 75 1.018 -1.313 -2.172 1.00 2.88 H new ATOM 0 HB3 PHE A 75 0.083 0.026 -2.809 1.00 2.88 H new ATOM 0 HD1 PHE A 75 -0.054 0.278 -5.391 1.00 2.13 H new ATOM 0 HD2 PHE A 75 1.263 -3.311 -3.412 1.00 2.11 H new ATOM 0 HE1 PHE A 75 -0.990 -1.086 -7.242 1.00 2.30 H new ATOM 0 HE2 PHE A 75 0.230 -4.678 -5.214 1.00 2.32 H new ATOM 0 HZ PHE A 75 -0.896 -3.565 -7.125 1.00 1.99 H new ATOM 1211 N SER A 76 3.013 1.703 -4.846 1.00 1.38 N ATOM 1212 CA SER A 76 2.927 2.831 -5.762 1.00 1.15 C ATOM 1213 C SER A 76 1.910 2.538 -6.863 1.00 1.00 C ATOM 1214 O SER A 76 1.547 1.390 -7.117 1.00 1.45 O ATOM 1215 CB SER A 76 4.303 3.123 -6.363 1.00 1.26 C ATOM 1216 OG SER A 76 4.247 4.261 -7.201 1.00 1.51 O ATOM 0 H SER A 76 3.849 1.128 -4.954 1.00 1.38 H new ATOM 0 HA SER A 76 2.595 3.712 -5.212 1.00 1.15 H new ATOM 0 HB2 SER A 76 5.027 3.287 -5.565 1.00 1.26 H new ATOM 0 HB3 SER A 76 4.647 2.261 -6.934 1.00 1.26 H new ATOM 0 HG SER A 76 5.013 4.255 -7.812 1.00 1.51 H new ATOM 1222 N VAL A 77 1.461 3.604 -7.519 1.00 0.86 N ATOM 1223 CA VAL A 77 0.521 3.602 -8.610 1.00 0.95 C ATOM 1224 C VAL A 77 1.091 4.590 -9.625 1.00 0.80 C ATOM 1225 O VAL A 77 1.682 5.601 -9.251 1.00 1.14 O ATOM 1226 CB VAL A 77 -0.876 3.987 -8.099 1.00 1.18 C ATOM 1227 CG1 VAL A 77 -1.856 4.095 -9.276 1.00 1.40 C ATOM 1228 CG2 VAL A 77 -1.407 2.961 -7.087 1.00 1.44 C ATOM 0 H VAL A 77 1.770 4.546 -7.279 1.00 0.86 H new ATOM 0 HA VAL A 77 0.394 2.623 -9.073 1.00 0.95 H new ATOM 0 HB VAL A 77 -0.791 4.952 -7.598 1.00 1.18 H new ATOM 0 HG11 VAL A 77 -2.843 4.368 -8.904 1.00 1.40 H new ATOM 0 HG12 VAL A 77 -1.507 4.858 -9.972 1.00 1.40 H new ATOM 0 HG13 VAL A 77 -1.915 3.135 -9.790 1.00 1.40 H new ATOM 0 HG21 VAL A 77 -2.397 3.265 -6.746 1.00 1.44 H new ATOM 0 HG22 VAL A 77 -1.471 1.982 -7.561 1.00 1.44 H new ATOM 0 HG23 VAL A 77 -0.730 2.908 -6.234 1.00 1.44 H new ATOM 1238 N ASP A 78 0.998 4.214 -10.898 1.00 1.02 N ATOM 1239 CA ASP A 78 1.747 4.760 -12.029 1.00 0.95 C ATOM 1240 C ASP A 78 3.180 5.227 -11.714 1.00 0.78 C ATOM 1241 O ASP A 78 3.564 6.373 -11.972 1.00 1.03 O ATOM 1242 CB ASP A 78 0.920 5.783 -12.806 1.00 1.15 C ATOM 1243 CG ASP A 78 1.327 5.817 -14.277 1.00 1.33 C ATOM 1244 OD1 ASP A 78 2.544 5.793 -14.579 1.00 2.33 O ATOM 1245 OD2 ASP A 78 0.408 5.876 -15.118 1.00 2.09 O ATOM 0 H ASP A 78 0.358 3.474 -11.186 1.00 1.02 H new ATOM 0 HA ASP A 78 1.921 3.913 -12.692 1.00 0.95 H new ATOM 0 HB2 ASP A 78 -0.139 5.537 -12.724 1.00 1.15 H new ATOM 0 HB3 ASP A 78 1.052 6.771 -12.366 1.00 1.15 H new ATOM 1250 N PRO A 79 4.026 4.310 -11.220 1.00 0.64 N ATOM 1251 CA PRO A 79 5.457 4.535 -11.136 1.00 0.82 C ATOM 1252 C PRO A 79 6.102 4.822 -12.499 1.00 0.94 C ATOM 1253 O PRO A 79 7.165 5.433 -12.502 1.00 1.07 O ATOM 1254 CB PRO A 79 6.039 3.252 -10.521 1.00 1.05 C ATOM 1255 CG PRO A 79 5.004 2.199 -10.911 1.00 1.07 C ATOM 1256 CD PRO A 79 3.711 2.981 -10.723 1.00 0.79 C ATOM 0 HA PRO A 79 5.664 5.420 -10.534 1.00 0.82 H new ATOM 0 HB2 PRO A 79 7.025 3.020 -10.924 1.00 1.05 H new ATOM 0 HB3 PRO A 79 6.147 3.333 -9.439 1.00 1.05 H new ATOM 0 HG2 PRO A 79 5.132 1.854 -11.937 1.00 1.07 H new ATOM 0 HG3 PRO A 79 5.050 1.318 -10.271 1.00 1.07 H new ATOM 0 HD2 PRO A 79 2.889 2.532 -11.280 1.00 0.79 H new ATOM 0 HD3 PRO A 79 3.410 3.008 -9.676 1.00 0.79 H new ATOM 1264 N GLU A 80 5.531 4.400 -13.642 1.00 1.00 N ATOM 1265 CA GLU A 80 6.119 4.761 -14.941 1.00 1.18 C ATOM 1266 C GLU A 80 6.169 6.286 -15.086 1.00 1.17 C ATOM 1267 O GLU A 80 7.231 6.887 -15.314 1.00 1.30 O ATOM 1268 CB GLU A 80 5.361 4.127 -16.128 1.00 1.44 C ATOM 1269 CG GLU A 80 5.969 2.766 -16.507 1.00 2.37 C ATOM 1270 CD GLU A 80 5.332 2.079 -17.717 1.00 2.79 C ATOM 1271 OE1 GLU A 80 4.453 2.680 -18.380 1.00 2.33 O ATOM 1272 OE2 GLU A 80 5.613 0.871 -17.865 1.00 4.11 O ATOM 0 H GLU A 80 4.689 3.826 -13.693 1.00 1.00 H new ATOM 0 HA GLU A 80 7.132 4.360 -14.965 1.00 1.18 H new ATOM 0 HB2 GLU A 80 4.310 4.000 -15.867 1.00 1.44 H new ATOM 0 HB3 GLU A 80 5.397 4.797 -16.987 1.00 1.44 H new ATOM 0 HG2 GLU A 80 7.032 2.904 -16.706 1.00 2.37 H new ATOM 0 HG3 GLU A 80 5.890 2.099 -15.648 1.00 2.37 H new ATOM 1279 N ASN A 81 5.008 6.928 -14.964 1.00 1.20 N ATOM 1280 CA ASN A 81 4.939 8.370 -15.097 1.00 1.40 C ATOM 1281 C ASN A 81 5.679 9.017 -13.936 1.00 1.51 C ATOM 1282 O ASN A 81 6.632 9.764 -14.163 1.00 2.14 O ATOM 1283 CB ASN A 81 3.491 8.859 -15.196 1.00 1.52 C ATOM 1284 CG ASN A 81 2.911 8.572 -16.577 1.00 2.30 C ATOM 1285 OD1 ASN A 81 2.910 9.442 -17.444 1.00 3.20 O ATOM 1286 ND2 ASN A 81 2.438 7.355 -16.813 1.00 2.85 N ATOM 0 H ASN A 81 4.115 6.472 -14.775 1.00 1.20 H new ATOM 0 HA ASN A 81 5.424 8.665 -16.028 1.00 1.40 H new ATOM 0 HB2 ASN A 81 2.885 8.369 -14.434 1.00 1.52 H new ATOM 0 HB3 ASN A 81 3.450 9.930 -14.996 1.00 1.52 H new ATOM 0 HD21 ASN A 81 2.062 7.124 -17.732 1.00 2.85 H new ATOM 0 HD22 ASN A 81 2.451 6.651 -16.075 1.00 2.85 H new ATOM 1293 N ASP A 82 5.263 8.724 -12.704 1.00 1.22 N ATOM 1294 CA ASP A 82 5.672 9.510 -11.546 1.00 1.32 C ATOM 1295 C ASP A 82 7.104 9.193 -11.102 1.00 1.36 C ATOM 1296 O ASP A 82 7.952 10.083 -11.093 1.00 2.71 O ATOM 1297 CB ASP A 82 4.635 9.350 -10.422 1.00 1.31 C ATOM 1298 CG ASP A 82 3.820 10.635 -10.292 1.00 1.89 C ATOM 1299 OD1 ASP A 82 4.344 11.593 -9.682 1.00 2.58 O ATOM 1300 OD2 ASP A 82 2.718 10.677 -10.875 1.00 2.91 O ATOM 0 H ASP A 82 4.641 7.946 -12.485 1.00 1.22 H new ATOM 0 HA ASP A 82 5.697 10.563 -11.827 1.00 1.32 H new ATOM 0 HB2 ASP A 82 3.976 8.509 -10.638 1.00 1.31 H new ATOM 0 HB3 ASP A 82 5.136 9.128 -9.480 1.00 1.31 H new ATOM 1305 N LYS A 83 7.371 7.928 -10.769 1.00 0.87 N ATOM 1306 CA LYS A 83 8.679 7.396 -10.375 1.00 0.85 C ATOM 1307 C LYS A 83 9.024 7.747 -8.915 1.00 0.69 C ATOM 1308 O LYS A 83 8.556 8.761 -8.401 1.00 0.71 O ATOM 1309 CB LYS A 83 9.777 7.766 -11.385 1.00 1.11 C ATOM 1310 CG LYS A 83 9.445 7.260 -12.794 1.00 1.82 C ATOM 1311 CD LYS A 83 10.349 7.897 -13.850 1.00 1.90 C ATOM 1312 CE LYS A 83 9.869 9.315 -14.173 1.00 1.90 C ATOM 1313 NZ LYS A 83 8.936 9.346 -15.337 1.00 2.40 N ATOM 0 H LYS A 83 6.645 7.211 -10.767 1.00 0.87 H new ATOM 0 HA LYS A 83 8.619 6.308 -10.403 1.00 0.85 H new ATOM 0 HB2 LYS A 83 9.901 8.849 -11.407 1.00 1.11 H new ATOM 0 HB3 LYS A 83 10.728 7.342 -11.061 1.00 1.11 H new ATOM 0 HG2 LYS A 83 9.555 6.176 -12.827 1.00 1.82 H new ATOM 0 HG3 LYS A 83 8.403 7.482 -13.025 1.00 1.82 H new ATOM 0 HD2 LYS A 83 11.377 7.927 -13.489 1.00 1.90 H new ATOM 0 HD3 LYS A 83 10.347 7.290 -14.755 1.00 1.90 H new ATOM 0 HE2 LYS A 83 9.371 9.735 -13.299 1.00 1.90 H new ATOM 0 HE3 LYS A 83 10.731 9.949 -14.384 1.00 1.90 H new ATOM 0 HZ1 LYS A 83 9.423 9.752 -16.162 1.00 2.40 H new ATOM 0 HZ2 LYS A 83 8.626 8.378 -15.559 1.00 2.40 H new ATOM 0 HZ3 LYS A 83 8.108 9.929 -15.103 1.00 2.40 H new ATOM 1327 N PRO A 84 9.824 6.916 -8.215 1.00 0.62 N ATOM 1328 CA PRO A 84 10.024 6.988 -6.768 1.00 0.53 C ATOM 1329 C PRO A 84 10.323 8.380 -6.208 1.00 0.53 C ATOM 1330 O PRO A 84 9.892 8.685 -5.102 1.00 0.59 O ATOM 1331 CB PRO A 84 11.113 5.966 -6.415 1.00 0.60 C ATOM 1332 CG PRO A 84 11.678 5.527 -7.765 1.00 0.68 C ATOM 1333 CD PRO A 84 10.495 5.724 -8.708 1.00 0.74 C ATOM 0 HA PRO A 84 9.078 6.748 -6.283 1.00 0.53 H new ATOM 0 HB2 PRO A 84 11.885 6.410 -5.787 1.00 0.60 H new ATOM 0 HB3 PRO A 84 10.701 5.121 -5.864 1.00 0.60 H new ATOM 0 HG2 PRO A 84 12.535 6.132 -8.060 1.00 0.68 H new ATOM 0 HG3 PRO A 84 12.011 4.489 -7.746 1.00 0.68 H new ATOM 0 HD2 PRO A 84 10.827 5.854 -9.738 1.00 0.74 H new ATOM 0 HD3 PRO A 84 9.830 4.861 -8.694 1.00 0.74 H new ATOM 1341 N LYS A 85 11.026 9.237 -6.952 1.00 0.58 N ATOM 1342 CA LYS A 85 11.267 10.615 -6.542 1.00 0.71 C ATOM 1343 C LYS A 85 9.971 11.337 -6.154 1.00 0.77 C ATOM 1344 O LYS A 85 9.916 12.027 -5.136 1.00 0.93 O ATOM 1345 CB LYS A 85 11.997 11.368 -7.656 1.00 0.87 C ATOM 1346 CG LYS A 85 13.428 11.748 -7.257 1.00 1.15 C ATOM 1347 CD LYS A 85 14.350 10.519 -7.189 1.00 1.77 C ATOM 1348 CE LYS A 85 15.783 10.934 -6.820 1.00 2.31 C ATOM 1349 NZ LYS A 85 16.704 9.778 -6.749 1.00 3.23 N ATOM 0 H LYS A 85 11.441 8.993 -7.851 1.00 0.58 H new ATOM 0 HA LYS A 85 11.895 10.594 -5.651 1.00 0.71 H new ATOM 0 HB2 LYS A 85 12.024 10.749 -8.553 1.00 0.87 H new ATOM 0 HB3 LYS A 85 11.440 12.271 -7.908 1.00 0.87 H new ATOM 0 HG2 LYS A 85 13.828 12.462 -7.977 1.00 1.15 H new ATOM 0 HG3 LYS A 85 13.414 12.246 -6.287 1.00 1.15 H new ATOM 0 HD2 LYS A 85 13.969 9.813 -6.451 1.00 1.77 H new ATOM 0 HD3 LYS A 85 14.351 10.005 -8.150 1.00 1.77 H new ATOM 0 HE2 LYS A 85 16.154 11.646 -7.558 1.00 2.31 H new ATOM 0 HE3 LYS A 85 15.774 11.447 -5.858 1.00 2.31 H new ATOM 0 HZ1 LYS A 85 17.657 10.109 -6.497 1.00 3.23 H new ATOM 0 HZ2 LYS A 85 16.367 9.110 -6.027 1.00 3.23 H new ATOM 0 HZ3 LYS A 85 16.736 9.302 -7.673 1.00 3.23 H new ATOM 1363 N GLN A 86 8.932 11.192 -6.975 1.00 0.72 N ATOM 1364 CA GLN A 86 7.662 11.866 -6.776 1.00 0.83 C ATOM 1365 C GLN A 86 6.978 11.331 -5.521 1.00 0.93 C ATOM 1366 O GLN A 86 6.365 12.082 -4.756 1.00 1.21 O ATOM 1367 CB GLN A 86 6.798 11.665 -8.008 1.00 0.86 C ATOM 1368 CG GLN A 86 7.288 12.472 -9.219 1.00 1.22 C ATOM 1369 CD GLN A 86 6.752 13.893 -9.192 1.00 1.63 C ATOM 1370 OE1 GLN A 86 7.497 14.855 -9.003 1.00 2.25 O ATOM 1371 NE2 GLN A 86 5.448 14.021 -9.361 1.00 2.47 N ATOM 0 H GLN A 86 8.954 10.597 -7.803 1.00 0.72 H new ATOM 0 HA GLN A 86 7.823 12.935 -6.634 1.00 0.83 H new ATOM 0 HB2 GLN A 86 6.782 10.606 -8.266 1.00 0.86 H new ATOM 0 HB3 GLN A 86 5.772 11.952 -7.777 1.00 0.86 H new ATOM 0 HG2 GLN A 86 8.378 12.493 -9.227 1.00 1.22 H new ATOM 0 HG3 GLN A 86 6.971 11.980 -10.138 1.00 1.22 H new ATOM 0 HE21 GLN A 86 4.870 13.195 -9.515 1.00 2.47 H new ATOM 0 HE22 GLN A 86 5.019 14.946 -9.338 1.00 2.47 H new ATOM 1380 N LEU A 87 7.099 10.021 -5.299 1.00 0.78 N ATOM 1381 CA LEU A 87 6.589 9.416 -4.084 1.00 0.88 C ATOM 1382 C LEU A 87 7.359 9.964 -2.887 1.00 0.96 C ATOM 1383 O LEU A 87 6.744 10.377 -1.908 1.00 1.12 O ATOM 1384 CB LEU A 87 6.617 7.884 -4.162 1.00 0.82 C ATOM 1385 CG LEU A 87 5.581 7.372 -5.181 1.00 0.93 C ATOM 1386 CD1 LEU A 87 6.253 6.721 -6.390 1.00 1.40 C ATOM 1387 CD2 LEU A 87 4.605 6.390 -4.525 1.00 1.23 C ATOM 0 H LEU A 87 7.544 9.369 -5.945 1.00 0.78 H new ATOM 0 HA LEU A 87 5.539 9.682 -3.959 1.00 0.88 H new ATOM 0 HB2 LEU A 87 7.613 7.548 -4.449 1.00 0.82 H new ATOM 0 HB3 LEU A 87 6.408 7.461 -3.179 1.00 0.82 H new ATOM 0 HG LEU A 87 5.021 8.238 -5.533 1.00 0.93 H new ATOM 0 HD11 LEU A 87 5.490 6.372 -7.086 1.00 1.40 H new ATOM 0 HD12 LEU A 87 6.892 7.450 -6.887 1.00 1.40 H new ATOM 0 HD13 LEU A 87 6.856 5.875 -6.059 1.00 1.40 H new ATOM 0 HD21 LEU A 87 3.884 6.044 -5.266 1.00 1.23 H new ATOM 0 HD22 LEU A 87 5.157 5.537 -4.130 1.00 1.23 H new ATOM 0 HD23 LEU A 87 4.078 6.889 -3.712 1.00 1.23 H new ATOM 1399 N LYS A 88 8.692 10.013 -2.964 1.00 0.90 N ATOM 1400 CA LYS A 88 9.507 10.477 -1.855 1.00 1.04 C ATOM 1401 C LYS A 88 9.210 11.939 -1.512 1.00 1.15 C ATOM 1402 O LYS A 88 9.102 12.271 -0.334 1.00 1.27 O ATOM 1403 CB LYS A 88 11.005 10.229 -2.102 1.00 1.03 C ATOM 1404 CG LYS A 88 11.659 9.851 -0.764 1.00 1.27 C ATOM 1405 CD LYS A 88 13.180 9.698 -0.875 1.00 1.33 C ATOM 1406 CE LYS A 88 13.768 8.947 0.331 1.00 1.64 C ATOM 1407 NZ LYS A 88 13.433 9.558 1.633 1.00 2.67 N ATOM 0 H LYS A 88 9.224 9.735 -3.789 1.00 0.90 H new ATOM 0 HA LYS A 88 9.234 9.885 -0.981 1.00 1.04 H new ATOM 0 HB2 LYS A 88 11.142 9.430 -2.831 1.00 1.03 H new ATOM 0 HB3 LYS A 88 11.475 11.122 -2.515 1.00 1.03 H new ATOM 0 HG2 LYS A 88 11.427 10.615 -0.022 1.00 1.27 H new ATOM 0 HG3 LYS A 88 11.229 8.916 -0.404 1.00 1.27 H new ATOM 0 HD2 LYS A 88 13.425 9.162 -1.792 1.00 1.33 H new ATOM 0 HD3 LYS A 88 13.640 10.683 -0.949 1.00 1.33 H new ATOM 0 HE2 LYS A 88 13.406 7.919 0.319 1.00 1.64 H new ATOM 0 HE3 LYS A 88 14.852 8.905 0.228 1.00 1.64 H new ATOM 0 HZ1 LYS A 88 14.156 9.299 2.334 1.00 2.67 H new ATOM 0 HZ2 LYS A 88 13.402 10.593 1.533 1.00 2.67 H new ATOM 0 HZ3 LYS A 88 12.504 9.213 1.950 1.00 2.67 H new ATOM 1421 N LYS A 89 9.068 12.812 -2.517 1.00 1.12 N ATOM 1422 CA LYS A 89 8.677 14.200 -2.282 1.00 1.21 C ATOM 1423 C LYS A 89 7.345 14.269 -1.529 1.00 1.27 C ATOM 1424 O LYS A 89 7.246 14.918 -0.490 1.00 1.39 O ATOM 1425 CB LYS A 89 8.565 14.971 -3.605 1.00 1.19 C ATOM 1426 CG LYS A 89 9.932 15.316 -4.209 1.00 1.38 C ATOM 1427 CD LYS A 89 9.802 16.323 -5.365 1.00 1.46 C ATOM 1428 CE LYS A 89 8.970 15.756 -6.524 1.00 3.28 C ATOM 1429 NZ LYS A 89 8.847 16.693 -7.659 1.00 3.66 N ATOM 0 H LYS A 89 9.219 12.578 -3.498 1.00 1.12 H new ATOM 0 HA LYS A 89 9.453 14.663 -1.672 1.00 1.21 H new ATOM 0 HB2 LYS A 89 7.997 14.376 -4.320 1.00 1.19 H new ATOM 0 HB3 LYS A 89 8.004 15.891 -3.438 1.00 1.19 H new ATOM 0 HG2 LYS A 89 10.578 15.731 -3.435 1.00 1.38 H new ATOM 0 HG3 LYS A 89 10.411 14.406 -4.570 1.00 1.38 H new ATOM 0 HD2 LYS A 89 9.338 17.239 -4.999 1.00 1.46 H new ATOM 0 HD3 LYS A 89 10.795 16.591 -5.727 1.00 1.46 H new ATOM 0 HE2 LYS A 89 9.427 14.830 -6.873 1.00 3.28 H new ATOM 0 HE3 LYS A 89 7.974 15.503 -6.159 1.00 3.28 H new ATOM 0 HZ1 LYS A 89 8.456 16.192 -8.482 1.00 3.66 H new ATOM 0 HZ2 LYS A 89 8.213 17.475 -7.397 1.00 3.66 H new ATOM 0 HZ3 LYS A 89 9.785 17.073 -7.898 1.00 3.66 H new ATOM 1443 N PHE A 90 6.311 13.610 -2.058 1.00 1.23 N ATOM 1444 CA PHE A 90 4.994 13.605 -1.433 1.00 1.30 C ATOM 1445 C PHE A 90 5.101 13.078 -0.003 1.00 1.39 C ATOM 1446 O PHE A 90 4.616 13.696 0.942 1.00 1.38 O ATOM 1447 CB PHE A 90 4.045 12.759 -2.286 1.00 1.29 C ATOM 1448 CG PHE A 90 2.797 12.265 -1.586 1.00 1.30 C ATOM 1449 CD1 PHE A 90 1.672 13.101 -1.462 1.00 2.00 C ATOM 1450 CD2 PHE A 90 2.769 10.966 -1.044 1.00 2.09 C ATOM 1451 CE1 PHE A 90 0.523 12.635 -0.801 1.00 1.92 C ATOM 1452 CE2 PHE A 90 1.621 10.507 -0.376 1.00 2.24 C ATOM 1453 CZ PHE A 90 0.498 11.342 -0.256 1.00 1.44 C ATOM 0 H PHE A 90 6.365 13.071 -2.923 1.00 1.23 H new ATOM 0 HA PHE A 90 4.594 14.617 -1.377 1.00 1.30 H new ATOM 0 HB2 PHE A 90 3.744 13.347 -3.153 1.00 1.29 H new ATOM 0 HB3 PHE A 90 4.595 11.896 -2.661 1.00 1.29 H new ATOM 0 HD1 PHE A 90 1.692 14.099 -1.874 1.00 2.00 H new ATOM 0 HD2 PHE A 90 3.630 10.322 -1.142 1.00 2.09 H new ATOM 0 HE1 PHE A 90 -0.343 13.274 -0.712 1.00 1.92 H new ATOM 0 HE2 PHE A 90 1.602 9.513 0.045 1.00 2.24 H new ATOM 0 HZ PHE A 90 -0.385 10.989 0.256 1.00 1.44 H new ATOM 1463 N ALA A 91 5.792 11.952 0.154 1.00 1.52 N ATOM 1464 CA ALA A 91 5.980 11.301 1.430 1.00 1.67 C ATOM 1465 C ALA A 91 6.588 12.295 2.410 1.00 1.82 C ATOM 1466 O ALA A 91 6.040 12.531 3.478 1.00 2.24 O ATOM 1467 CB ALA A 91 6.878 10.079 1.236 1.00 1.57 C ATOM 0 H ALA A 91 6.242 11.465 -0.621 1.00 1.52 H new ATOM 0 HA ALA A 91 5.027 10.963 1.838 1.00 1.67 H new ATOM 0 HB1 ALA A 91 7.026 9.580 2.194 1.00 1.57 H new ATOM 0 HB2 ALA A 91 6.407 9.388 0.537 1.00 1.57 H new ATOM 0 HB3 ALA A 91 7.842 10.396 0.839 1.00 1.57 H new ATOM 1473 N ALA A 92 7.690 12.926 2.005 1.00 1.63 N ATOM 1474 CA ALA A 92 8.397 13.928 2.783 1.00 1.66 C ATOM 1475 C ALA A 92 7.515 15.118 3.178 1.00 1.44 C ATOM 1476 O ALA A 92 7.817 15.789 4.161 1.00 1.54 O ATOM 1477 CB ALA A 92 9.611 14.393 1.978 1.00 1.70 C ATOM 0 H ALA A 92 8.123 12.745 1.100 1.00 1.63 H new ATOM 0 HA ALA A 92 8.710 13.472 3.722 1.00 1.66 H new ATOM 0 HB1 ALA A 92 10.157 15.147 2.545 1.00 1.70 H new ATOM 0 HB2 ALA A 92 10.265 13.543 1.782 1.00 1.70 H new ATOM 0 HB3 ALA A 92 9.278 14.821 1.032 1.00 1.70 H new ATOM 1483 N ASN A 93 6.444 15.407 2.425 1.00 1.20 N ATOM 1484 CA ASN A 93 5.509 16.460 2.819 1.00 1.08 C ATOM 1485 C ASN A 93 4.639 15.991 3.989 1.00 1.05 C ATOM 1486 O ASN A 93 4.252 16.801 4.829 1.00 1.25 O ATOM 1487 CB ASN A 93 4.644 16.942 1.644 1.00 1.07 C ATOM 1488 CG ASN A 93 5.372 17.955 0.765 1.00 1.09 C ATOM 1489 OD1 ASN A 93 5.038 19.134 0.759 1.00 1.98 O ATOM 1490 ND2 ASN A 93 6.374 17.521 0.007 1.00 1.43 N ATOM 0 H ASN A 93 6.209 14.932 1.553 1.00 1.20 H new ATOM 0 HA ASN A 93 6.100 17.317 3.144 1.00 1.08 H new ATOM 0 HB2 ASN A 93 4.348 16.085 1.038 1.00 1.07 H new ATOM 0 HB3 ASN A 93 3.729 17.391 2.030 1.00 1.07 H new ATOM 0 HD21 ASN A 93 6.879 18.173 -0.593 1.00 1.43 H new ATOM 0 HD22 ASN A 93 6.638 16.536 0.025 1.00 1.43 H new ATOM 1497 N TYR A 94 4.331 14.695 4.061 1.00 0.94 N ATOM 1498 CA TYR A 94 3.669 14.123 5.224 1.00 0.93 C ATOM 1499 C TYR A 94 4.698 13.956 6.356 1.00 0.97 C ATOM 1500 O TYR A 94 5.867 13.675 6.094 1.00 1.00 O ATOM 1501 CB TYR A 94 2.974 12.816 4.836 1.00 1.07 C ATOM 1502 CG TYR A 94 1.571 13.081 4.331 1.00 1.07 C ATOM 1503 CD1 TYR A 94 1.350 13.500 3.005 1.00 1.35 C ATOM 1504 CD2 TYR A 94 0.508 13.083 5.251 1.00 2.48 C ATOM 1505 CE1 TYR A 94 0.072 13.943 2.612 1.00 1.30 C ATOM 1506 CE2 TYR A 94 -0.768 13.506 4.850 1.00 2.51 C ATOM 1507 CZ TYR A 94 -0.980 13.965 3.544 1.00 1.10 C ATOM 1508 OH TYR A 94 -2.221 14.404 3.201 1.00 1.18 O ATOM 0 H TYR A 94 4.533 14.023 3.321 1.00 0.94 H new ATOM 0 HA TYR A 94 2.888 14.787 5.594 1.00 0.93 H new ATOM 0 HB2 TYR A 94 3.552 12.306 4.065 1.00 1.07 H new ATOM 0 HB3 TYR A 94 2.935 12.150 5.698 1.00 1.07 H new ATOM 0 HD1 TYR A 94 2.159 13.482 2.290 1.00 1.35 H new ATOM 0 HD2 TYR A 94 0.674 12.759 6.268 1.00 2.48 H new ATOM 0 HE1 TYR A 94 -0.099 14.265 1.596 1.00 1.30 H new ATOM 0 HE2 TYR A 94 -1.589 13.478 5.551 1.00 2.51 H new ATOM 0 HH TYR A 94 -2.381 14.224 2.251 1.00 1.18 H new ATOM 1518 N PRO A 95 4.306 14.134 7.629 1.00 1.15 N ATOM 1519 CA PRO A 95 5.227 14.036 8.753 1.00 1.32 C ATOM 1520 C PRO A 95 5.545 12.563 9.046 1.00 1.19 C ATOM 1521 O PRO A 95 5.052 12.005 10.025 1.00 1.37 O ATOM 1522 CB PRO A 95 4.506 14.738 9.909 1.00 1.60 C ATOM 1523 CG PRO A 95 3.030 14.478 9.605 1.00 1.56 C ATOM 1524 CD PRO A 95 2.983 14.534 8.078 1.00 1.33 C ATOM 0 HA PRO A 95 6.193 14.504 8.566 1.00 1.32 H new ATOM 0 HB2 PRO A 95 4.797 14.326 10.875 1.00 1.60 H new ATOM 0 HB3 PRO A 95 4.730 15.804 9.936 1.00 1.60 H new ATOM 0 HG2 PRO A 95 2.704 13.510 9.984 1.00 1.56 H new ATOM 0 HG3 PRO A 95 2.385 15.231 10.057 1.00 1.56 H new ATOM 0 HD2 PRO A 95 2.217 13.865 7.685 1.00 1.33 H new ATOM 0 HD3 PRO A 95 2.738 15.538 7.730 1.00 1.33 H new ATOM 1532 N LEU A 96 6.347 11.934 8.180 1.00 0.99 N ATOM 1533 CA LEU A 96 6.766 10.540 8.294 1.00 0.84 C ATOM 1534 C LEU A 96 8.276 10.390 8.369 1.00 0.82 C ATOM 1535 O LEU A 96 9.030 11.290 8.004 1.00 0.87 O ATOM 1536 CB LEU A 96 6.198 9.694 7.151 1.00 0.80 C ATOM 1537 CG LEU A 96 6.543 10.129 5.720 1.00 0.98 C ATOM 1538 CD1 LEU A 96 7.860 9.512 5.226 1.00 0.97 C ATOM 1539 CD2 LEU A 96 5.398 9.659 4.817 1.00 1.06 C ATOM 0 H LEU A 96 6.732 12.398 7.357 1.00 0.99 H new ATOM 0 HA LEU A 96 6.358 10.171 9.235 1.00 0.84 H new ATOM 0 HB2 LEU A 96 6.543 8.669 7.285 1.00 0.80 H new ATOM 0 HB3 LEU A 96 5.112 9.680 7.248 1.00 0.80 H new ATOM 0 HG LEU A 96 6.668 11.212 5.697 1.00 0.98 H new ATOM 0 HD11 LEU A 96 8.061 9.849 4.209 1.00 0.97 H new ATOM 0 HD12 LEU A 96 8.675 9.823 5.879 1.00 0.97 H new ATOM 0 HD13 LEU A 96 7.780 8.425 5.238 1.00 0.97 H new ATOM 0 HD21 LEU A 96 5.604 9.949 3.787 1.00 1.06 H new ATOM 0 HD22 LEU A 96 5.309 8.574 4.877 1.00 1.06 H new ATOM 0 HD23 LEU A 96 4.465 10.119 5.143 1.00 1.06 H new ATOM 1551 N SER A 97 8.683 9.199 8.806 1.00 0.89 N ATOM 1552 CA SER A 97 10.057 8.769 8.927 1.00 1.01 C ATOM 1553 C SER A 97 10.221 7.514 8.066 1.00 0.89 C ATOM 1554 O SER A 97 9.582 6.490 8.325 1.00 0.97 O ATOM 1555 CB SER A 97 10.363 8.513 10.408 1.00 1.25 C ATOM 1556 OG SER A 97 9.665 9.425 11.240 1.00 3.16 O ATOM 0 H SER A 97 8.022 8.479 9.098 1.00 0.89 H new ATOM 0 HA SER A 97 10.762 9.523 8.578 1.00 1.01 H new ATOM 0 HB2 SER A 97 10.084 7.492 10.669 1.00 1.25 H new ATOM 0 HB3 SER A 97 11.435 8.605 10.582 1.00 1.25 H new ATOM 0 HG SER A 97 9.876 9.239 12.179 1.00 3.16 H new ATOM 1562 N PHE A 98 11.032 7.615 7.009 1.00 0.96 N ATOM 1563 CA PHE A 98 11.244 6.565 6.016 1.00 1.05 C ATOM 1564 C PHE A 98 11.798 5.269 6.620 1.00 0.87 C ATOM 1565 O PHE A 98 11.650 4.212 6.006 1.00 1.02 O ATOM 1566 CB PHE A 98 12.202 7.071 4.931 1.00 1.33 C ATOM 1567 CG PHE A 98 11.637 8.182 4.062 1.00 1.53 C ATOM 1568 CD1 PHE A 98 10.796 7.855 2.981 1.00 2.03 C ATOM 1569 CD2 PHE A 98 11.840 9.533 4.403 1.00 2.67 C ATOM 1570 CE1 PHE A 98 10.142 8.869 2.261 1.00 2.09 C ATOM 1571 CE2 PHE A 98 11.180 10.549 3.688 1.00 2.81 C ATOM 1572 CZ PHE A 98 10.335 10.218 2.614 1.00 1.83 C ATOM 0 H PHE A 98 11.575 8.457 6.817 1.00 0.96 H new ATOM 0 HA PHE A 98 10.268 6.329 5.591 1.00 1.05 H new ATOM 0 HB2 PHE A 98 13.115 7.428 5.408 1.00 1.33 H new ATOM 0 HB3 PHE A 98 12.482 6.234 4.292 1.00 1.33 H new ATOM 0 HD1 PHE A 98 10.653 6.821 2.704 1.00 2.03 H new ATOM 0 HD2 PHE A 98 12.504 9.790 5.215 1.00 2.67 H new ATOM 0 HE1 PHE A 98 9.492 8.614 1.437 1.00 2.09 H new ATOM 0 HE2 PHE A 98 11.322 11.583 3.964 1.00 2.81 H new ATOM 0 HZ PHE A 98 9.834 10.998 2.060 1.00 1.83 H new ATOM 1582 N ASP A 99 12.453 5.379 7.781 1.00 0.70 N ATOM 1583 CA ASP A 99 13.194 4.387 8.553 1.00 0.91 C ATOM 1584 C ASP A 99 12.870 2.953 8.159 1.00 1.05 C ATOM 1585 O ASP A 99 13.745 2.167 7.808 1.00 1.39 O ATOM 1586 CB ASP A 99 12.917 4.541 10.067 1.00 1.04 C ATOM 1587 CG ASP A 99 12.738 5.952 10.610 1.00 2.19 C ATOM 1588 OD1 ASP A 99 12.873 6.922 9.833 1.00 3.97 O ATOM 1589 OD2 ASP A 99 12.398 6.004 11.815 1.00 2.39 O ATOM 0 H ASP A 99 12.476 6.281 8.257 1.00 0.70 H new ATOM 0 HA ASP A 99 14.244 4.577 8.330 1.00 0.91 H new ATOM 0 HB2 ASP A 99 12.017 3.973 10.304 1.00 1.04 H new ATOM 0 HB3 ASP A 99 13.740 4.074 10.608 1.00 1.04 H new ATOM 1594 N ASN A 100 11.589 2.624 8.305 1.00 0.79 N ATOM 1595 CA ASN A 100 11.050 1.290 8.169 1.00 0.73 C ATOM 1596 C ASN A 100 9.746 1.413 7.392 1.00 0.62 C ATOM 1597 O ASN A 100 8.692 0.984 7.856 1.00 0.66 O ATOM 1598 CB ASN A 100 10.863 0.776 9.594 1.00 0.82 C ATOM 1599 CG ASN A 100 10.472 -0.689 9.664 1.00 0.90 C ATOM 1600 OD1 ASN A 100 11.330 -1.565 9.602 1.00 1.61 O ATOM 1601 ND2 ASN A 100 9.183 -0.960 9.822 1.00 0.78 N ATOM 0 H ASN A 100 10.874 3.316 8.531 1.00 0.79 H new ATOM 0 HA ASN A 100 11.685 0.590 7.626 1.00 0.73 H new ATOM 0 HB2 ASN A 100 11.789 0.923 10.149 1.00 0.82 H new ATOM 0 HB3 ASN A 100 10.096 1.372 10.089 1.00 0.82 H new ATOM 0 HD21 ASN A 100 8.871 -1.928 9.897 1.00 0.78 H new ATOM 0 HD22 ASN A 100 8.504 -0.200 9.868 1.00 0.78 H new ATOM 1608 N TRP A 101 9.831 2.043 6.218 1.00 0.62 N ATOM 1609 CA TRP A 101 8.721 2.264 5.304 1.00 0.53 C ATOM 1610 C TRP A 101 9.180 1.977 3.870 1.00 0.59 C ATOM 1611 O TRP A 101 9.952 2.743 3.291 1.00 0.76 O ATOM 1612 CB TRP A 101 8.193 3.693 5.496 1.00 0.57 C ATOM 1613 CG TRP A 101 6.817 4.021 5.001 1.00 0.48 C ATOM 1614 CD1 TRP A 101 6.160 3.423 3.978 1.00 0.54 C ATOM 1615 CD2 TRP A 101 5.883 5.009 5.547 1.00 0.47 C ATOM 1616 NE1 TRP A 101 4.898 3.961 3.867 1.00 0.63 N ATOM 1617 CE2 TRP A 101 4.692 4.970 4.771 1.00 0.57 C ATOM 1618 CE3 TRP A 101 5.904 5.926 6.626 1.00 0.50 C ATOM 1619 CZ2 TRP A 101 3.603 5.812 5.006 1.00 0.69 C ATOM 1620 CZ3 TRP A 101 4.773 6.708 6.930 1.00 0.58 C ATOM 1621 CH2 TRP A 101 3.650 6.702 6.088 1.00 0.68 C ATOM 0 H TRP A 101 10.710 2.425 5.870 1.00 0.62 H new ATOM 0 HA TRP A 101 7.895 1.584 5.513 1.00 0.53 H new ATOM 0 HB2 TRP A 101 8.223 3.917 6.562 1.00 0.57 H new ATOM 0 HB3 TRP A 101 8.891 4.373 5.008 1.00 0.57 H new ATOM 0 HD1 TRP A 101 6.564 2.645 3.347 1.00 0.54 H new ATOM 0 HE1 TRP A 101 4.200 3.646 3.193 1.00 0.63 H new ATOM 0 HE3 TRP A 101 6.798 6.027 7.223 1.00 0.50 H new ATOM 0 HZ2 TRP A 101 2.736 5.778 4.363 1.00 0.69 H new ATOM 0 HZ3 TRP A 101 4.770 7.319 7.821 1.00 0.58 H new ATOM 0 HH2 TRP A 101 2.828 7.378 6.272 1.00 0.68 H new ATOM 1632 N ASP A 102 8.698 0.873 3.290 1.00 0.49 N ATOM 1633 CA ASP A 102 9.174 0.362 2.007 1.00 0.52 C ATOM 1634 C ASP A 102 8.218 0.876 0.919 1.00 0.53 C ATOM 1635 O ASP A 102 7.252 0.210 0.549 1.00 0.57 O ATOM 1636 CB ASP A 102 9.245 -1.188 2.040 1.00 0.57 C ATOM 1637 CG ASP A 102 10.608 -1.810 2.361 1.00 0.68 C ATOM 1638 OD1 ASP A 102 11.610 -1.245 1.868 1.00 1.49 O ATOM 1639 OD2 ASP A 102 10.630 -2.879 3.027 1.00 1.66 O ATOM 0 H ASP A 102 7.959 0.306 3.705 1.00 0.49 H new ATOM 0 HA ASP A 102 10.183 0.714 1.793 1.00 0.52 H new ATOM 0 HB2 ASP A 102 8.526 -1.545 2.777 1.00 0.57 H new ATOM 0 HB3 ASP A 102 8.920 -1.564 1.070 1.00 0.57 H new ATOM 1644 N PHE A 103 8.476 2.070 0.375 1.00 0.57 N ATOM 1645 CA PHE A 103 7.661 2.607 -0.711 1.00 0.63 C ATOM 1646 C PHE A 103 8.038 1.877 -2.001 1.00 0.72 C ATOM 1647 O PHE A 103 9.076 2.180 -2.581 1.00 0.91 O ATOM 1648 CB PHE A 103 7.878 4.121 -0.875 1.00 0.69 C ATOM 1649 CG PHE A 103 7.255 5.013 0.186 1.00 0.52 C ATOM 1650 CD1 PHE A 103 7.887 5.203 1.430 1.00 1.65 C ATOM 1651 CD2 PHE A 103 6.075 5.725 -0.109 1.00 2.06 C ATOM 1652 CE1 PHE A 103 7.326 6.077 2.378 1.00 1.79 C ATOM 1653 CE2 PHE A 103 5.477 6.538 0.868 1.00 1.96 C ATOM 1654 CZ PHE A 103 6.103 6.716 2.112 1.00 0.58 C ATOM 0 H PHE A 103 9.240 2.678 0.670 1.00 0.57 H new ATOM 0 HA PHE A 103 6.607 2.452 -0.481 1.00 0.63 H new ATOM 0 HB2 PHE A 103 8.951 4.312 -0.894 1.00 0.69 H new ATOM 0 HB3 PHE A 103 7.483 4.419 -1.846 1.00 0.69 H new ATOM 0 HD1 PHE A 103 8.803 4.677 1.656 1.00 1.65 H new ATOM 0 HD2 PHE A 103 5.629 5.645 -1.089 1.00 2.06 H new ATOM 0 HE1 PHE A 103 7.836 6.258 3.313 1.00 1.79 H new ATOM 0 HE2 PHE A 103 4.536 7.026 0.662 1.00 1.96 H new ATOM 0 HZ PHE A 103 5.646 7.343 2.863 1.00 0.58 H new ATOM 1664 N LEU A 104 7.215 0.913 -2.420 1.00 0.69 N ATOM 1665 CA LEU A 104 7.454 -0.003 -3.525 1.00 0.82 C ATOM 1666 C LEU A 104 7.004 0.582 -4.855 1.00 0.95 C ATOM 1667 O LEU A 104 5.862 1.024 -4.984 1.00 1.22 O ATOM 1668 CB LEU A 104 6.733 -1.329 -3.272 1.00 0.89 C ATOM 1669 CG LEU A 104 7.220 -2.047 -2.005 1.00 0.73 C ATOM 1670 CD1 LEU A 104 6.783 -3.508 -2.052 1.00 0.70 C ATOM 1671 CD2 LEU A 104 8.734 -2.010 -1.805 1.00 0.71 C ATOM 0 H LEU A 104 6.316 0.746 -1.969 1.00 0.69 H new ATOM 0 HA LEU A 104 8.529 -0.173 -3.583 1.00 0.82 H new ATOM 0 HB2 LEU A 104 5.662 -1.143 -3.188 1.00 0.89 H new ATOM 0 HB3 LEU A 104 6.877 -1.984 -4.132 1.00 0.89 H new ATOM 0 HG LEU A 104 6.773 -1.510 -1.169 1.00 0.73 H new ATOM 0 HD11 LEU A 104 7.128 -4.020 -1.154 1.00 0.70 H new ATOM 0 HD12 LEU A 104 5.696 -3.561 -2.105 1.00 0.70 H new ATOM 0 HD13 LEU A 104 7.213 -3.988 -2.931 1.00 0.70 H new ATOM 0 HD21 LEU A 104 8.993 -2.539 -0.888 1.00 0.71 H new ATOM 0 HD22 LEU A 104 9.225 -2.490 -2.652 1.00 0.71 H new ATOM 0 HD23 LEU A 104 9.066 -0.974 -1.732 1.00 0.71 H new ATOM 1683 N THR A 105 7.893 0.547 -5.851 1.00 0.82 N ATOM 1684 CA THR A 105 7.584 1.011 -7.188 1.00 0.88 C ATOM 1685 C THR A 105 6.652 0.002 -7.864 1.00 0.83 C ATOM 1686 O THR A 105 5.503 0.303 -8.164 1.00 1.10 O ATOM 1687 CB THR A 105 8.880 1.232 -7.992 1.00 0.86 C ATOM 1688 OG1 THR A 105 9.569 0.011 -8.212 1.00 0.77 O ATOM 1689 CG2 THR A 105 9.816 2.204 -7.266 1.00 1.05 C ATOM 0 H THR A 105 8.844 0.195 -5.744 1.00 0.82 H new ATOM 0 HA THR A 105 7.072 1.972 -7.142 1.00 0.88 H new ATOM 0 HB THR A 105 8.588 1.655 -8.953 1.00 0.86 H new ATOM 0 HG1 THR A 105 9.888 -0.344 -7.356 1.00 0.77 H new ATOM 0 HG21 THR A 105 10.723 2.343 -7.854 1.00 1.05 H new ATOM 0 HG22 THR A 105 9.316 3.164 -7.138 1.00 1.05 H new ATOM 0 HG23 THR A 105 10.076 1.797 -6.289 1.00 1.05 H new ATOM 1697 N GLY A 106 7.187 -1.192 -8.123 1.00 0.71 N ATOM 1698 CA GLY A 106 6.632 -2.134 -9.081 1.00 0.84 C ATOM 1699 C GLY A 106 7.015 -1.747 -10.514 1.00 0.71 C ATOM 1700 O GLY A 106 6.364 -2.183 -11.458 1.00 0.93 O ATOM 0 H GLY A 106 8.031 -1.532 -7.663 1.00 0.71 H new ATOM 0 HA2 GLY A 106 6.995 -3.138 -8.862 1.00 0.84 H new ATOM 0 HA3 GLY A 106 5.547 -2.160 -8.985 1.00 0.84 H new ATOM 1704 N TYR A 107 8.083 -0.949 -10.663 1.00 0.82 N ATOM 1705 CA TYR A 107 8.749 -0.642 -11.926 1.00 1.03 C ATOM 1706 C TYR A 107 7.798 -0.332 -13.086 1.00 1.19 C ATOM 1707 O TYR A 107 7.006 0.604 -12.987 1.00 1.48 O ATOM 1708 CB TYR A 107 9.788 -1.743 -12.205 1.00 1.32 C ATOM 1709 CG TYR A 107 10.852 -1.413 -13.237 1.00 1.57 C ATOM 1710 CD1 TYR A 107 11.814 -0.426 -12.952 1.00 2.47 C ATOM 1711 CD2 TYR A 107 10.965 -2.179 -14.414 1.00 2.35 C ATOM 1712 CE1 TYR A 107 12.873 -0.195 -13.848 1.00 2.75 C ATOM 1713 CE2 TYR A 107 12.019 -1.941 -15.312 1.00 2.74 C ATOM 1714 CZ TYR A 107 12.981 -0.960 -15.021 1.00 2.44 C ATOM 1715 OH TYR A 107 14.030 -0.754 -15.866 1.00 2.91 O ATOM 0 H TYR A 107 8.521 -0.483 -9.869 1.00 0.82 H new ATOM 0 HA TYR A 107 9.276 0.307 -11.829 1.00 1.03 H new ATOM 0 HB2 TYR A 107 10.285 -1.991 -11.267 1.00 1.32 H new ATOM 0 HB3 TYR A 107 9.259 -2.638 -12.532 1.00 1.32 H new ATOM 0 HD1 TYR A 107 11.739 0.155 -12.044 1.00 2.47 H new ATOM 0 HD2 TYR A 107 10.240 -2.951 -14.626 1.00 2.35 H new ATOM 0 HE1 TYR A 107 13.604 0.571 -13.634 1.00 2.75 H new ATOM 0 HE2 TYR A 107 12.089 -2.512 -16.226 1.00 2.74 H new ATOM 0 HH TYR A 107 13.959 -1.364 -16.630 1.00 2.91 H new ATOM 1725 N SER A 108 7.918 -1.040 -14.211 1.00 1.46 N ATOM 1726 CA SER A 108 7.110 -0.773 -15.382 1.00 1.70 C ATOM 1727 C SER A 108 5.670 -1.159 -15.070 1.00 1.37 C ATOM 1728 O SER A 108 5.422 -2.071 -14.283 1.00 1.13 O ATOM 1729 CB SER A 108 7.668 -1.563 -16.567 1.00 2.18 C ATOM 1730 OG SER A 108 7.882 -2.907 -16.174 1.00 3.10 O ATOM 0 H SER A 108 8.578 -1.809 -14.327 1.00 1.46 H new ATOM 0 HA SER A 108 7.135 0.284 -15.647 1.00 1.70 H new ATOM 0 HB2 SER A 108 6.972 -1.523 -17.405 1.00 2.18 H new ATOM 0 HB3 SER A 108 8.603 -1.118 -16.908 1.00 2.18 H new ATOM 0 HG SER A 108 8.238 -3.417 -16.932 1.00 3.10 H new ATOM 1736 N GLN A 109 4.706 -0.511 -15.724 1.00 1.49 N ATOM 1737 CA GLN A 109 3.335 -0.944 -15.662 1.00 1.42 C ATOM 1738 C GLN A 109 3.288 -2.405 -16.083 1.00 1.37 C ATOM 1739 O GLN A 109 2.617 -3.176 -15.429 1.00 1.31 O ATOM 1740 CB GLN A 109 2.401 -0.044 -16.464 1.00 1.55 C ATOM 1741 CG GLN A 109 2.445 1.454 -16.110 1.00 1.88 C ATOM 1742 CD GLN A 109 2.246 1.793 -14.650 1.00 2.02 C ATOM 1743 OE1 GLN A 109 3.259 1.536 -13.832 1.00 2.52 O flip ATOM 1744 NE2 GLN A 109 1.215 2.328 -14.268 1.00 2.40 N flip ATOM 0 H GLN A 109 4.863 0.316 -16.300 1.00 1.49 H new ATOM 0 HA GLN A 109 2.962 -0.860 -14.641 1.00 1.42 H new ATOM 0 HB2 GLN A 109 2.640 -0.155 -17.522 1.00 1.55 H new ATOM 0 HB3 GLN A 109 1.380 -0.400 -16.329 1.00 1.55 H new ATOM 0 HG2 GLN A 109 3.407 1.855 -16.428 1.00 1.88 H new ATOM 0 HG3 GLN A 109 1.678 1.967 -16.690 1.00 1.88 H new ATOM 0 HE21 GLN A 109 0.459 2.509 -14.929 1.00 2.40 H new ATOM 0 HE22 GLN A 109 1.111 2.594 -13.289 1.00 2.40 H new ATOM 1753 N SER A 110 4.099 -2.836 -17.050 1.00 1.51 N ATOM 1754 CA SER A 110 4.210 -4.248 -17.396 1.00 1.57 C ATOM 1755 C SER A 110 4.365 -5.150 -16.157 1.00 1.33 C ATOM 1756 O SER A 110 3.719 -6.193 -16.062 1.00 1.36 O ATOM 1757 CB SER A 110 5.389 -4.421 -18.355 1.00 1.89 C ATOM 1758 OG SER A 110 5.387 -3.355 -19.288 1.00 2.07 O ATOM 0 H SER A 110 4.691 -2.221 -17.609 1.00 1.51 H new ATOM 0 HA SER A 110 3.284 -4.562 -17.879 1.00 1.57 H new ATOM 0 HB2 SER A 110 6.327 -4.433 -17.800 1.00 1.89 H new ATOM 0 HB3 SER A 110 5.314 -5.376 -18.875 1.00 1.89 H new ATOM 0 HG SER A 110 6.141 -3.459 -19.905 1.00 2.07 H new ATOM 1764 N GLU A 111 5.213 -4.743 -15.208 1.00 1.18 N ATOM 1765 CA GLU A 111 5.381 -5.430 -13.938 1.00 1.03 C ATOM 1766 C GLU A 111 4.153 -5.241 -13.037 1.00 0.83 C ATOM 1767 O GLU A 111 3.459 -6.209 -12.709 1.00 0.92 O ATOM 1768 CB GLU A 111 6.665 -4.929 -13.255 1.00 1.16 C ATOM 1769 CG GLU A 111 7.883 -5.757 -13.683 1.00 1.75 C ATOM 1770 CD GLU A 111 9.127 -5.389 -12.883 1.00 2.75 C ATOM 1771 OE1 GLU A 111 8.988 -5.239 -11.650 1.00 3.38 O ATOM 1772 OE2 GLU A 111 10.194 -5.269 -13.520 1.00 3.79 O ATOM 0 H GLU A 111 5.805 -3.918 -15.307 1.00 1.18 H new ATOM 0 HA GLU A 111 5.475 -6.500 -14.121 1.00 1.03 H new ATOM 0 HB2 GLU A 111 6.828 -3.881 -13.507 1.00 1.16 H new ATOM 0 HB3 GLU A 111 6.548 -4.982 -12.173 1.00 1.16 H new ATOM 0 HG2 GLU A 111 7.666 -6.817 -13.551 1.00 1.75 H new ATOM 0 HG3 GLU A 111 8.074 -5.600 -14.745 1.00 1.75 H new ATOM 1779 N ILE A 112 3.910 -4.003 -12.590 1.00 0.76 N ATOM 1780 CA ILE A 112 2.885 -3.744 -11.577 1.00 0.77 C ATOM 1781 C ILE A 112 1.493 -4.190 -12.050 1.00 0.87 C ATOM 1782 O ILE A 112 0.722 -4.665 -11.227 1.00 0.97 O ATOM 1783 CB ILE A 112 2.968 -2.306 -11.016 1.00 0.84 C ATOM 1784 CG1 ILE A 112 1.937 -1.960 -9.927 1.00 1.20 C ATOM 1785 CG2 ILE A 112 2.886 -1.249 -12.108 1.00 1.16 C ATOM 1786 CD1 ILE A 112 2.146 -2.756 -8.640 1.00 1.26 C ATOM 0 H ILE A 112 4.406 -3.172 -12.912 1.00 0.76 H new ATOM 0 HA ILE A 112 3.092 -4.373 -10.711 1.00 0.77 H new ATOM 0 HB ILE A 112 3.951 -2.292 -10.545 1.00 0.84 H new ATOM 0 HG12 ILE A 112 1.995 -0.895 -9.703 1.00 1.20 H new ATOM 0 HG13 ILE A 112 0.934 -2.152 -10.309 1.00 1.20 H new ATOM 0 HG21 ILE A 112 2.949 -0.257 -11.660 1.00 1.16 H new ATOM 0 HG22 ILE A 112 3.711 -1.384 -12.808 1.00 1.16 H new ATOM 0 HG23 ILE A 112 1.939 -1.348 -12.639 1.00 1.16 H new ATOM 0 HD11 ILE A 112 1.390 -2.470 -7.909 1.00 1.26 H new ATOM 0 HD12 ILE A 112 2.060 -3.821 -8.853 1.00 1.26 H new ATOM 0 HD13 ILE A 112 3.137 -2.545 -8.239 1.00 1.26 H new ATOM 1798 N GLU A 113 1.186 -4.111 -13.352 1.00 0.97 N ATOM 1799 CA GLU A 113 0.001 -4.666 -13.993 1.00 1.20 C ATOM 1800 C GLU A 113 -0.205 -6.109 -13.541 1.00 1.32 C ATOM 1801 O GLU A 113 -1.155 -6.398 -12.816 1.00 1.39 O ATOM 1802 CB GLU A 113 0.134 -4.646 -15.533 1.00 1.49 C ATOM 1803 CG GLU A 113 -0.160 -3.302 -16.224 1.00 2.23 C ATOM 1804 CD GLU A 113 0.437 -3.227 -17.630 1.00 3.33 C ATOM 1805 OE1 GLU A 113 0.532 -4.295 -18.270 1.00 3.82 O ATOM 1806 OE2 GLU A 113 0.766 -2.098 -18.058 1.00 4.49 O ATOM 0 H GLU A 113 1.794 -3.631 -14.016 1.00 0.97 H new ATOM 0 HA GLU A 113 -0.851 -4.051 -13.703 1.00 1.20 H new ATOM 0 HB2 GLU A 113 1.148 -4.950 -15.793 1.00 1.49 H new ATOM 0 HB3 GLU A 113 -0.540 -5.397 -15.945 1.00 1.49 H new ATOM 0 HG2 GLU A 113 -1.238 -3.154 -16.282 1.00 2.23 H new ATOM 0 HG3 GLU A 113 0.241 -2.490 -15.618 1.00 2.23 H new ATOM 1813 N GLU A 114 0.658 -7.023 -13.998 1.00 1.46 N ATOM 1814 CA GLU A 114 0.423 -8.441 -13.779 1.00 1.68 C ATOM 1815 C GLU A 114 0.354 -8.705 -12.282 1.00 1.61 C ATOM 1816 O GLU A 114 -0.632 -9.254 -11.798 1.00 1.71 O ATOM 1817 CB GLU A 114 1.451 -9.319 -14.486 1.00 1.83 C ATOM 1818 CG GLU A 114 0.870 -10.694 -14.885 1.00 2.30 C ATOM 1819 CD GLU A 114 1.623 -11.902 -14.338 1.00 1.66 C ATOM 1820 OE1 GLU A 114 2.800 -11.772 -13.946 1.00 2.54 O ATOM 1821 OE2 GLU A 114 0.972 -12.962 -14.196 1.00 1.76 O ATOM 0 H GLU A 114 1.511 -6.804 -14.513 1.00 1.46 H new ATOM 0 HA GLU A 114 -0.533 -8.715 -14.226 1.00 1.68 H new ATOM 0 HB2 GLU A 114 1.812 -8.807 -15.378 1.00 1.83 H new ATOM 0 HB3 GLU A 114 2.311 -9.466 -13.833 1.00 1.83 H new ATOM 0 HG2 GLU A 114 -0.164 -10.746 -14.544 1.00 2.30 H new ATOM 0 HG3 GLU A 114 0.851 -10.760 -15.973 1.00 2.30 H new ATOM 1828 N PHE A 115 1.378 -8.258 -11.547 1.00 1.46 N ATOM 1829 CA PHE A 115 1.434 -8.372 -10.095 1.00 1.40 C ATOM 1830 C PHE A 115 0.099 -7.956 -9.458 1.00 1.43 C ATOM 1831 O PHE A 115 -0.533 -8.763 -8.767 1.00 1.67 O ATOM 1832 CB PHE A 115 2.629 -7.562 -9.574 1.00 1.20 C ATOM 1833 CG PHE A 115 2.622 -7.279 -8.083 1.00 1.15 C ATOM 1834 CD1 PHE A 115 2.233 -8.265 -7.155 1.00 2.15 C ATOM 1835 CD2 PHE A 115 2.926 -5.983 -7.634 1.00 1.94 C ATOM 1836 CE1 PHE A 115 2.001 -7.911 -5.814 1.00 2.21 C ATOM 1837 CE2 PHE A 115 2.678 -5.623 -6.299 1.00 1.88 C ATOM 1838 CZ PHE A 115 2.170 -6.577 -5.402 1.00 1.18 C ATOM 0 H PHE A 115 2.196 -7.803 -11.952 1.00 1.46 H new ATOM 0 HA PHE A 115 1.587 -9.412 -9.808 1.00 1.40 H new ATOM 0 HB2 PHE A 115 3.545 -8.098 -9.821 1.00 1.20 H new ATOM 0 HB3 PHE A 115 2.663 -6.612 -10.107 1.00 1.20 H new ATOM 0 HD1 PHE A 115 2.113 -9.290 -7.473 1.00 2.15 H new ATOM 0 HD2 PHE A 115 3.351 -5.262 -8.317 1.00 1.94 H new ATOM 0 HE1 PHE A 115 1.694 -8.662 -5.102 1.00 2.21 H new ATOM 0 HE2 PHE A 115 2.877 -4.616 -5.963 1.00 1.88 H new ATOM 0 HZ PHE A 115 1.909 -6.286 -4.395 1.00 1.18 H new ATOM 1848 N ALA A 116 -0.343 -6.720 -9.714 1.00 1.29 N ATOM 1849 CA ALA A 116 -1.606 -6.166 -9.239 1.00 1.46 C ATOM 1850 C ALA A 116 -2.794 -7.034 -9.660 1.00 1.79 C ATOM 1851 O ALA A 116 -3.757 -7.166 -8.902 1.00 2.00 O ATOM 1852 CB ALA A 116 -1.779 -4.730 -9.736 1.00 1.50 C ATOM 0 H ALA A 116 0.191 -6.058 -10.278 1.00 1.29 H new ATOM 0 HA ALA A 116 -1.578 -6.157 -8.149 1.00 1.46 H new ATOM 0 HB1 ALA A 116 -2.726 -4.331 -9.373 1.00 1.50 H new ATOM 0 HB2 ALA A 116 -0.960 -4.115 -9.364 1.00 1.50 H new ATOM 0 HB3 ALA A 116 -1.775 -4.719 -10.826 1.00 1.50 H new ATOM 1858 N LEU A 117 -2.729 -7.632 -10.852 1.00 1.89 N ATOM 1859 CA LEU A 117 -3.724 -8.572 -11.334 1.00 2.25 C ATOM 1860 C LEU A 117 -3.832 -9.749 -10.374 1.00 2.34 C ATOM 1861 O LEU A 117 -4.907 -9.991 -9.830 1.00 2.54 O ATOM 1862 CB LEU A 117 -3.392 -9.070 -12.750 1.00 2.38 C ATOM 1863 CG LEU A 117 -4.561 -9.055 -13.746 1.00 2.66 C ATOM 1864 CD1 LEU A 117 -5.756 -9.861 -13.227 1.00 2.90 C ATOM 1865 CD2 LEU A 117 -4.975 -7.630 -14.123 1.00 2.66 C ATOM 0 H LEU A 117 -1.970 -7.469 -11.513 1.00 1.89 H new ATOM 0 HA LEU A 117 -4.682 -8.054 -11.382 1.00 2.25 H new ATOM 0 HB2 LEU A 117 -2.586 -8.456 -13.153 1.00 2.38 H new ATOM 0 HB3 LEU A 117 -3.011 -10.089 -12.678 1.00 2.38 H new ATOM 0 HG LEU A 117 -4.206 -9.540 -14.656 1.00 2.66 H new ATOM 0 HD11 LEU A 117 -6.563 -9.827 -13.959 1.00 2.90 H new ATOM 0 HD12 LEU A 117 -5.455 -10.896 -13.067 1.00 2.90 H new ATOM 0 HD13 LEU A 117 -6.102 -9.434 -12.286 1.00 2.90 H new ATOM 0 HD21 LEU A 117 -5.805 -7.667 -14.829 1.00 2.66 H new ATOM 0 HD22 LEU A 117 -5.285 -7.092 -13.227 1.00 2.66 H new ATOM 0 HD23 LEU A 117 -4.131 -7.115 -14.582 1.00 2.66 H new ATOM 1877 N LYS A 118 -2.731 -10.487 -10.180 1.00 2.22 N ATOM 1878 CA LYS A 118 -2.779 -11.701 -9.387 1.00 2.32 C ATOM 1879 C LYS A 118 -3.239 -11.354 -7.977 1.00 2.25 C ATOM 1880 O LYS A 118 -4.165 -11.955 -7.440 1.00 2.44 O ATOM 1881 CB LYS A 118 -1.418 -12.400 -9.324 1.00 2.22 C ATOM 1882 CG LYS A 118 -0.853 -12.870 -10.670 1.00 2.67 C ATOM 1883 CD LYS A 118 0.219 -11.897 -11.169 1.00 3.85 C ATOM 1884 CE LYS A 118 1.682 -12.343 -11.063 1.00 4.92 C ATOM 1885 NZ LYS A 118 1.966 -13.559 -11.843 1.00 4.81 N ATOM 0 H LYS A 118 -1.812 -10.260 -10.560 1.00 2.22 H new ATOM 0 HA LYS A 118 -3.479 -12.388 -9.862 1.00 2.32 H new ATOM 0 HB2 LYS A 118 -0.700 -11.719 -8.867 1.00 2.22 H new ATOM 0 HB3 LYS A 118 -1.503 -13.263 -8.664 1.00 2.22 H new ATOM 0 HG2 LYS A 118 -0.427 -13.868 -10.564 1.00 2.67 H new ATOM 0 HG3 LYS A 118 -1.656 -12.943 -11.403 1.00 2.67 H new ATOM 0 HD2 LYS A 118 0.010 -11.674 -12.215 1.00 3.85 H new ATOM 0 HD3 LYS A 118 0.111 -10.964 -10.616 1.00 3.85 H new ATOM 0 HE2 LYS A 118 2.329 -11.536 -11.408 1.00 4.92 H new ATOM 0 HE3 LYS A 118 1.927 -12.523 -10.016 1.00 4.92 H new ATOM 0 HZ1 LYS A 118 2.940 -13.519 -12.206 1.00 4.81 H new ATOM 0 HZ2 LYS A 118 1.858 -14.395 -11.234 1.00 4.81 H new ATOM 0 HZ3 LYS A 118 1.302 -13.623 -12.641 1.00 4.81 H new ATOM 1899 N SER A 119 -2.561 -10.372 -7.385 1.00 2.03 N ATOM 1900 CA SER A 119 -2.826 -9.966 -6.020 1.00 1.99 C ATOM 1901 C SER A 119 -4.233 -9.389 -5.826 1.00 2.17 C ATOM 1902 O SER A 119 -5.027 -9.917 -5.050 1.00 2.46 O ATOM 1903 CB SER A 119 -1.757 -8.961 -5.591 1.00 1.78 C ATOM 1904 OG SER A 119 -1.703 -7.864 -6.475 1.00 2.14 O ATOM 0 H SER A 119 -1.818 -9.843 -7.841 1.00 2.03 H new ATOM 0 HA SER A 119 -2.784 -10.854 -5.389 1.00 1.99 H new ATOM 0 HB2 SER A 119 -1.970 -8.608 -4.582 1.00 1.78 H new ATOM 0 HB3 SER A 119 -0.785 -9.453 -5.558 1.00 1.78 H new ATOM 0 HG SER A 119 -1.174 -8.105 -7.264 1.00 2.14 H new ATOM 1910 N PHE A 120 -4.497 -8.245 -6.458 1.00 2.02 N ATOM 1911 CA PHE A 120 -5.600 -7.355 -6.099 1.00 2.07 C ATOM 1912 C PHE A 120 -6.667 -7.192 -7.183 1.00 2.09 C ATOM 1913 O PHE A 120 -7.705 -6.586 -6.890 1.00 1.89 O ATOM 1914 CB PHE A 120 -5.034 -5.994 -5.681 1.00 2.04 C ATOM 1915 CG PHE A 120 -4.082 -5.985 -4.497 1.00 1.99 C ATOM 1916 CD1 PHE A 120 -4.309 -6.816 -3.382 1.00 2.61 C ATOM 1917 CD2 PHE A 120 -3.075 -5.000 -4.431 1.00 2.15 C ATOM 1918 CE1 PHE A 120 -3.533 -6.668 -2.223 1.00 2.43 C ATOM 1919 CE2 PHE A 120 -2.330 -4.827 -3.252 1.00 1.98 C ATOM 1920 CZ PHE A 120 -2.550 -5.667 -2.151 1.00 1.57 C ATOM 0 H PHE A 120 -3.943 -7.906 -7.244 1.00 2.02 H new ATOM 0 HA PHE A 120 -6.121 -7.827 -5.266 1.00 2.07 H new ATOM 0 HB2 PHE A 120 -4.515 -5.564 -6.538 1.00 2.04 H new ATOM 0 HB3 PHE A 120 -5.870 -5.334 -5.450 1.00 2.04 H new ATOM 0 HD1 PHE A 120 -5.082 -7.569 -3.420 1.00 2.61 H new ATOM 0 HD2 PHE A 120 -2.876 -4.376 -5.290 1.00 2.15 H new ATOM 0 HE1 PHE A 120 -3.692 -7.327 -1.382 1.00 2.43 H new ATOM 0 HE2 PHE A 120 -1.587 -4.046 -3.194 1.00 1.98 H new ATOM 0 HZ PHE A 120 -1.966 -5.545 -1.251 1.00 1.57 H new ATOM 1930 N LYS A 121 -6.410 -7.712 -8.390 1.00 2.60 N ATOM 1931 CA LYS A 121 -7.210 -7.661 -9.615 1.00 3.38 C ATOM 1932 C LYS A 121 -7.290 -6.271 -10.263 1.00 3.78 C ATOM 1933 O LYS A 121 -8.226 -5.972 -11.000 1.00 4.76 O ATOM 1934 CB LYS A 121 -8.514 -8.488 -9.548 1.00 3.88 C ATOM 1935 CG LYS A 121 -9.669 -8.043 -8.635 1.00 4.23 C ATOM 1936 CD LYS A 121 -10.144 -6.620 -8.951 1.00 4.26 C ATOM 1937 CE LYS A 121 -11.485 -6.274 -8.296 1.00 4.80 C ATOM 1938 NZ LYS A 121 -11.959 -4.943 -8.732 1.00 5.29 N ATOM 0 H LYS A 121 -5.546 -8.232 -8.546 1.00 2.60 H new ATOM 0 HA LYS A 121 -6.639 -8.209 -10.364 1.00 3.38 H new ATOM 0 HB2 LYS A 121 -8.909 -8.550 -10.562 1.00 3.88 H new ATOM 0 HB3 LYS A 121 -8.239 -9.500 -9.251 1.00 3.88 H new ATOM 0 HG2 LYS A 121 -10.504 -8.735 -8.745 1.00 4.23 H new ATOM 0 HG3 LYS A 121 -9.347 -8.094 -7.595 1.00 4.23 H new ATOM 0 HD2 LYS A 121 -9.389 -5.909 -8.616 1.00 4.26 H new ATOM 0 HD3 LYS A 121 -10.234 -6.505 -10.031 1.00 4.26 H new ATOM 0 HE2 LYS A 121 -12.226 -7.031 -8.554 1.00 4.80 H new ATOM 0 HE3 LYS A 121 -11.379 -6.289 -7.211 1.00 4.80 H new ATOM 0 HZ1 LYS A 121 -12.869 -4.732 -8.275 1.00 5.29 H new ATOM 0 HZ2 LYS A 121 -11.261 -4.221 -8.464 1.00 5.29 H new ATOM 0 HZ3 LYS A 121 -12.082 -4.939 -9.765 1.00 5.29 H new ATOM 1952 N ALA A 122 -6.289 -5.426 -10.023 1.00 3.19 N ATOM 1953 CA ALA A 122 -6.162 -4.102 -10.624 1.00 3.64 C ATOM 1954 C ALA A 122 -4.944 -4.066 -11.549 1.00 3.59 C ATOM 1955 O ALA A 122 -4.176 -5.022 -11.592 1.00 4.23 O ATOM 1956 CB ALA A 122 -6.038 -3.061 -9.507 1.00 3.52 C ATOM 0 H ALA A 122 -5.524 -5.651 -9.387 1.00 3.19 H new ATOM 0 HA ALA A 122 -7.044 -3.874 -11.223 1.00 3.64 H new ATOM 0 HB1 ALA A 122 -5.942 -2.067 -9.945 1.00 3.52 H new ATOM 0 HB2 ALA A 122 -6.927 -3.096 -8.877 1.00 3.52 H new ATOM 0 HB3 ALA A 122 -5.157 -3.278 -8.904 1.00 3.52 H new ATOM 1962 N ILE A 123 -4.762 -2.949 -12.255 1.00 3.13 N ATOM 1963 CA ILE A 123 -3.526 -2.535 -12.908 1.00 2.78 C ATOM 1964 C ILE A 123 -3.432 -1.028 -12.753 1.00 1.65 C ATOM 1965 O ILE A 123 -4.358 -0.410 -12.228 1.00 1.77 O ATOM 1966 CB ILE A 123 -3.476 -2.899 -14.403 1.00 3.69 C ATOM 1967 CG1 ILE A 123 -4.578 -2.170 -15.196 1.00 4.99 C ATOM 1968 CG2 ILE A 123 -3.631 -4.408 -14.615 1.00 4.71 C ATOM 1969 CD1 ILE A 123 -4.046 -1.032 -16.068 1.00 5.64 C ATOM 0 H ILE A 123 -5.515 -2.275 -12.392 1.00 3.13 H new ATOM 0 HA ILE A 123 -2.691 -3.058 -12.442 1.00 2.78 H new ATOM 0 HB ILE A 123 -2.499 -2.582 -14.769 1.00 3.69 H new ATOM 0 HG12 ILE A 123 -5.097 -2.890 -15.828 1.00 4.99 H new ATOM 0 HG13 ILE A 123 -5.313 -1.770 -14.498 1.00 4.99 H new ATOM 0 HG21 ILE A 123 -3.591 -4.632 -15.681 1.00 4.71 H new ATOM 0 HG22 ILE A 123 -2.823 -4.932 -14.104 1.00 4.71 H new ATOM 0 HG23 ILE A 123 -4.589 -4.736 -14.211 1.00 4.71 H new ATOM 0 HD11 ILE A 123 -4.874 -0.562 -16.598 1.00 5.64 H new ATOM 0 HD12 ILE A 123 -3.552 -0.292 -15.439 1.00 5.64 H new ATOM 0 HD13 ILE A 123 -3.332 -1.430 -16.789 1.00 5.64 H new ATOM 2201 N SER A 138 -6.210 2.971 -0.311 1.00 2.08 N ATOM 2202 CA SER A 138 -6.709 2.492 0.975 1.00 1.59 C ATOM 2203 C SER A 138 -5.558 1.931 1.819 1.00 1.19 C ATOM 2204 O SER A 138 -4.507 1.584 1.283 1.00 1.20 O ATOM 2205 CB SER A 138 -7.764 1.411 0.720 1.00 1.49 C ATOM 2206 OG SER A 138 -8.770 1.903 -0.147 1.00 1.94 O ATOM 0 HA SER A 138 -7.157 3.318 1.527 1.00 1.59 H new ATOM 0 HB2 SER A 138 -7.294 0.531 0.281 1.00 1.49 H new ATOM 0 HB3 SER A 138 -8.209 1.097 1.664 1.00 1.49 H new ATOM 0 HG SER A 138 -9.643 1.832 0.292 1.00 1.94 H new ATOM 2212 N PHE A 139 -5.766 1.820 3.135 1.00 1.05 N ATOM 2213 CA PHE A 139 -4.826 1.232 4.085 1.00 0.95 C ATOM 2214 C PHE A 139 -5.121 -0.268 4.171 1.00 0.72 C ATOM 2215 O PHE A 139 -6.271 -0.671 4.334 1.00 0.74 O ATOM 2216 CB PHE A 139 -5.027 1.870 5.459 1.00 1.43 C ATOM 2217 CG PHE A 139 -3.817 2.071 6.357 1.00 0.86 C ATOM 2218 CD1 PHE A 139 -2.633 1.317 6.216 1.00 1.82 C ATOM 2219 CD2 PHE A 139 -3.870 3.099 7.317 1.00 1.78 C ATOM 2220 CE1 PHE A 139 -1.499 1.637 6.980 1.00 2.04 C ATOM 2221 CE2 PHE A 139 -2.738 3.417 8.079 1.00 1.63 C ATOM 2222 CZ PHE A 139 -1.556 2.681 7.916 1.00 1.02 C ATOM 0 H PHE A 139 -6.623 2.149 3.579 1.00 1.05 H new ATOM 0 HA PHE A 139 -3.799 1.401 3.762 1.00 0.95 H new ATOM 0 HB2 PHE A 139 -5.490 2.845 5.306 1.00 1.43 H new ATOM 0 HB3 PHE A 139 -5.745 1.258 6.005 1.00 1.43 H new ATOM 0 HD1 PHE A 139 -2.599 0.492 5.519 1.00 1.82 H new ATOM 0 HD2 PHE A 139 -4.789 3.646 7.467 1.00 1.78 H new ATOM 0 HE1 PHE A 139 -0.583 1.080 6.847 1.00 2.04 H new ATOM 0 HE2 PHE A 139 -2.776 4.228 8.791 1.00 1.63 H new ATOM 0 HZ PHE A 139 -0.687 2.918 8.512 1.00 1.02 H new ATOM 2232 N TYR A 140 -4.084 -1.081 4.042 1.00 0.73 N ATOM 2233 CA TYR A 140 -4.138 -2.544 3.979 1.00 0.72 C ATOM 2234 C TYR A 140 -3.265 -3.142 5.099 1.00 0.82 C ATOM 2235 O TYR A 140 -2.210 -2.588 5.407 1.00 1.29 O ATOM 2236 CB TYR A 140 -3.623 -2.993 2.594 1.00 0.75 C ATOM 2237 CG TYR A 140 -4.639 -3.125 1.467 1.00 0.67 C ATOM 2238 CD1 TYR A 140 -5.661 -2.176 1.275 1.00 1.76 C ATOM 2239 CD2 TYR A 140 -4.567 -4.234 0.604 1.00 2.09 C ATOM 2240 CE1 TYR A 140 -6.733 -2.470 0.418 1.00 1.64 C ATOM 2241 CE2 TYR A 140 -5.644 -4.536 -0.247 1.00 2.51 C ATOM 2242 CZ TYR A 140 -6.775 -3.705 -0.247 1.00 1.44 C ATOM 2243 OH TYR A 140 -7.973 -4.204 -0.655 1.00 2.16 O ATOM 0 H TYR A 140 -3.130 -0.726 3.974 1.00 0.73 H new ATOM 0 HA TYR A 140 -5.161 -2.893 4.118 1.00 0.72 H new ATOM 0 HB2 TYR A 140 -2.859 -2.284 2.275 1.00 0.75 H new ATOM 0 HB3 TYR A 140 -3.131 -3.958 2.716 1.00 0.75 H new ATOM 0 HD1 TYR A 140 -5.620 -1.225 1.785 1.00 1.76 H new ATOM 0 HD2 TYR A 140 -3.683 -4.854 0.596 1.00 2.09 H new ATOM 0 HE1 TYR A 140 -7.523 -1.748 0.271 1.00 1.64 H new ATOM 0 HE2 TYR A 140 -5.602 -5.399 -0.895 1.00 2.51 H new ATOM 0 HH TYR A 140 -8.466 -4.546 0.120 1.00 2.16 H new ATOM 2253 N LEU A 141 -3.666 -4.276 5.695 1.00 0.56 N ATOM 2254 CA LEU A 141 -2.836 -5.079 6.602 1.00 0.53 C ATOM 2255 C LEU A 141 -2.643 -6.468 6.010 1.00 0.50 C ATOM 2256 O LEU A 141 -3.584 -7.266 5.931 1.00 0.52 O ATOM 2257 CB LEU A 141 -3.443 -5.129 8.011 1.00 0.56 C ATOM 2258 CG LEU A 141 -2.693 -6.048 9.008 1.00 0.52 C ATOM 2259 CD1 LEU A 141 -2.877 -5.475 10.420 1.00 0.81 C ATOM 2260 CD2 LEU A 141 -3.243 -7.483 9.010 1.00 0.69 C ATOM 0 H LEU A 141 -4.598 -4.667 5.555 1.00 0.56 H new ATOM 0 HA LEU A 141 -1.857 -4.611 6.706 1.00 0.53 H new ATOM 0 HB2 LEU A 141 -3.467 -4.118 8.418 1.00 0.56 H new ATOM 0 HB3 LEU A 141 -4.477 -5.466 7.935 1.00 0.56 H new ATOM 0 HG LEU A 141 -1.646 -6.084 8.706 1.00 0.52 H new ATOM 0 HD11 LEU A 141 -2.357 -6.107 11.140 1.00 0.81 H new ATOM 0 HD12 LEU A 141 -2.467 -4.466 10.460 1.00 0.81 H new ATOM 0 HD13 LEU A 141 -3.939 -5.445 10.665 1.00 0.81 H new ATOM 0 HD21 LEU A 141 -2.683 -8.086 9.725 1.00 0.69 H new ATOM 0 HD22 LEU A 141 -4.296 -7.469 9.292 1.00 0.69 H new ATOM 0 HD23 LEU A 141 -3.140 -7.913 8.014 1.00 0.69 H new ATOM 2272 N VAL A 142 -1.406 -6.740 5.587 1.00 0.47 N ATOM 2273 CA VAL A 142 -1.040 -7.928 4.853 1.00 0.48 C ATOM 2274 C VAL A 142 -0.438 -8.968 5.795 1.00 0.51 C ATOM 2275 O VAL A 142 0.524 -8.711 6.517 1.00 0.59 O ATOM 2276 CB VAL A 142 -0.131 -7.585 3.674 1.00 0.58 C ATOM 2277 CG1 VAL A 142 -0.057 -8.813 2.751 1.00 0.63 C ATOM 2278 CG2 VAL A 142 -0.616 -6.345 2.909 1.00 0.65 C ATOM 0 H VAL A 142 -0.618 -6.115 5.756 1.00 0.47 H new ATOM 0 HA VAL A 142 -1.936 -8.374 4.422 1.00 0.48 H new ATOM 0 HB VAL A 142 0.862 -7.337 4.050 1.00 0.58 H new ATOM 0 HG11 VAL A 142 0.588 -8.591 1.901 1.00 0.63 H new ATOM 0 HG12 VAL A 142 0.350 -9.660 3.304 1.00 0.63 H new ATOM 0 HG13 VAL A 142 -1.057 -9.060 2.393 1.00 0.63 H new ATOM 0 HG21 VAL A 142 0.062 -6.141 2.080 1.00 0.65 H new ATOM 0 HG22 VAL A 142 -1.619 -6.526 2.522 1.00 0.65 H new ATOM 0 HG23 VAL A 142 -0.636 -5.487 3.581 1.00 0.65 H new ATOM 2288 N GLY A 143 -1.061 -10.144 5.806 1.00 0.53 N ATOM 2289 CA GLY A 143 -0.779 -11.212 6.736 1.00 0.56 C ATOM 2290 C GLY A 143 0.470 -12.013 6.378 1.00 0.45 C ATOM 2291 O GLY A 143 1.095 -11.802 5.334 1.00 0.49 O ATOM 0 H GLY A 143 -1.799 -10.378 5.142 1.00 0.53 H new ATOM 0 HA2 GLY A 143 -0.658 -10.792 7.735 1.00 0.56 H new ATOM 0 HA3 GLY A 143 -1.635 -11.886 6.775 1.00 0.56 H new ATOM 2295 N PRO A 144 0.798 -12.988 7.237 1.00 0.47 N ATOM 2296 CA PRO A 144 2.029 -13.743 7.185 1.00 0.51 C ATOM 2297 C PRO A 144 2.098 -14.573 5.907 1.00 0.55 C ATOM 2298 O PRO A 144 3.182 -14.777 5.378 1.00 0.89 O ATOM 2299 CB PRO A 144 2.041 -14.595 8.457 1.00 0.64 C ATOM 2300 CG PRO A 144 0.563 -14.789 8.780 1.00 0.69 C ATOM 2301 CD PRO A 144 -0.074 -13.490 8.282 1.00 0.61 C ATOM 0 HA PRO A 144 2.912 -13.104 7.153 1.00 0.51 H new ATOM 0 HB2 PRO A 144 2.543 -15.549 8.295 1.00 0.64 H new ATOM 0 HB3 PRO A 144 2.565 -14.093 9.270 1.00 0.64 H new ATOM 0 HG2 PRO A 144 0.150 -15.661 8.272 1.00 0.69 H new ATOM 0 HG3 PRO A 144 0.399 -14.935 9.848 1.00 0.69 H new ATOM 0 HD2 PRO A 144 -1.078 -13.671 7.898 1.00 0.61 H new ATOM 0 HD3 PRO A 144 -0.168 -12.767 9.092 1.00 0.61 H new ATOM 2309 N ASP A 145 0.963 -15.027 5.380 1.00 0.70 N ATOM 2310 CA ASP A 145 0.890 -15.791 4.144 1.00 0.68 C ATOM 2311 C ASP A 145 1.097 -14.903 2.911 1.00 0.65 C ATOM 2312 O ASP A 145 1.206 -15.423 1.800 1.00 1.12 O ATOM 2313 CB ASP A 145 -0.483 -16.479 4.009 1.00 1.13 C ATOM 2314 CG ASP A 145 -1.137 -16.907 5.313 1.00 1.88 C ATOM 2315 OD1 ASP A 145 -1.294 -16.040 6.201 1.00 2.99 O ATOM 2316 OD2 ASP A 145 -1.648 -18.042 5.386 1.00 2.37 O ATOM 0 H ASP A 145 0.052 -14.869 5.811 1.00 0.70 H new ATOM 0 HA ASP A 145 1.686 -16.534 4.191 1.00 0.68 H new ATOM 0 HB2 ASP A 145 -1.160 -15.800 3.490 1.00 1.13 H new ATOM 0 HB3 ASP A 145 -0.367 -17.359 3.376 1.00 1.13 H new ATOM 2321 N GLY A 146 1.077 -13.575 3.068 1.00 0.61 N ATOM 2322 CA GLY A 146 0.769 -12.654 1.987 1.00 0.71 C ATOM 2323 C GLY A 146 -0.743 -12.459 1.808 1.00 0.60 C ATOM 2324 O GLY A 146 -1.153 -11.790 0.866 1.00 0.74 O ATOM 0 H GLY A 146 1.276 -13.114 3.956 1.00 0.61 H new ATOM 0 HA2 GLY A 146 1.237 -11.690 2.188 1.00 0.71 H new ATOM 0 HA3 GLY A 146 1.198 -13.029 1.058 1.00 0.71 H new ATOM 2328 N LYS A 147 -1.588 -13.017 2.685 1.00 0.62 N ATOM 2329 CA LYS A 147 -3.031 -12.808 2.608 1.00 0.57 C ATOM 2330 C LYS A 147 -3.432 -11.536 3.345 1.00 0.53 C ATOM 2331 O LYS A 147 -3.127 -11.403 4.528 1.00 0.60 O ATOM 2332 CB LYS A 147 -3.816 -14.050 3.032 1.00 0.69 C ATOM 2333 CG LYS A 147 -3.763 -14.330 4.531 1.00 0.87 C ATOM 2334 CD LYS A 147 -4.238 -15.756 4.838 1.00 1.10 C ATOM 2335 CE LYS A 147 -4.242 -16.026 6.354 1.00 1.77 C ATOM 2336 NZ LYS A 147 -3.889 -17.425 6.670 1.00 2.13 N ATOM 0 H LYS A 147 -1.292 -13.617 3.455 1.00 0.62 H new ATOM 0 HA LYS A 147 -3.303 -12.653 1.564 1.00 0.57 H new ATOM 0 HB2 LYS A 147 -4.857 -13.931 2.731 1.00 0.69 H new ATOM 0 HB3 LYS A 147 -3.426 -14.915 2.496 1.00 0.69 H new ATOM 0 HG2 LYS A 147 -2.744 -14.195 4.894 1.00 0.87 H new ATOM 0 HG3 LYS A 147 -4.388 -13.612 5.062 1.00 0.87 H new ATOM 0 HD2 LYS A 147 -5.241 -15.903 4.437 1.00 1.10 H new ATOM 0 HD3 LYS A 147 -3.587 -16.474 4.339 1.00 1.10 H new ATOM 0 HE2 LYS A 147 -3.536 -15.355 6.843 1.00 1.77 H new ATOM 0 HE3 LYS A 147 -5.229 -15.801 6.759 1.00 1.77 H new ATOM 0 HZ1 LYS A 147 -3.358 -17.456 7.563 1.00 2.13 H new ATOM 0 HZ2 LYS A 147 -4.757 -17.989 6.764 1.00 2.13 H new ATOM 0 HZ3 LYS A 147 -3.303 -17.816 5.905 1.00 2.13 H new ATOM 2350 N VAL A 148 -4.119 -10.599 2.685 1.00 0.50 N ATOM 2351 CA VAL A 148 -4.561 -9.393 3.369 1.00 0.55 C ATOM 2352 C VAL A 148 -5.741 -9.760 4.250 1.00 0.58 C ATOM 2353 O VAL A 148 -6.684 -10.396 3.777 1.00 0.62 O ATOM 2354 CB VAL A 148 -4.881 -8.238 2.412 1.00 0.61 C ATOM 2355 CG1 VAL A 148 -4.986 -6.915 3.178 1.00 0.95 C ATOM 2356 CG2 VAL A 148 -3.791 -8.088 1.350 1.00 1.16 C ATOM 0 H VAL A 148 -4.374 -10.654 1.699 1.00 0.50 H new ATOM 0 HA VAL A 148 -3.745 -9.013 3.983 1.00 0.55 H new ATOM 0 HB VAL A 148 -5.832 -8.470 1.933 1.00 0.61 H new ATOM 0 HG11 VAL A 148 -5.213 -6.108 2.481 1.00 0.95 H new ATOM 0 HG12 VAL A 148 -5.780 -6.987 3.921 1.00 0.95 H new ATOM 0 HG13 VAL A 148 -4.039 -6.707 3.677 1.00 0.95 H new ATOM 0 HG21 VAL A 148 -4.043 -7.262 0.685 1.00 1.16 H new ATOM 0 HG22 VAL A 148 -2.836 -7.885 1.835 1.00 1.16 H new ATOM 0 HG23 VAL A 148 -3.716 -9.009 0.773 1.00 1.16 H new ATOM 2366 N LEU A 149 -5.617 -9.427 5.538 1.00 0.59 N ATOM 2367 CA LEU A 149 -6.514 -9.878 6.591 1.00 0.59 C ATOM 2368 C LEU A 149 -7.497 -8.790 6.978 1.00 0.56 C ATOM 2369 O LEU A 149 -8.639 -9.105 7.313 1.00 0.61 O ATOM 2370 CB LEU A 149 -5.705 -10.312 7.814 1.00 0.73 C ATOM 2371 CG LEU A 149 -5.135 -11.720 7.615 1.00 0.76 C ATOM 2372 CD1 LEU A 149 -3.885 -11.872 8.484 1.00 1.26 C ATOM 2373 CD2 LEU A 149 -6.159 -12.787 8.021 1.00 0.89 C ATOM 0 H LEU A 149 -4.870 -8.822 5.879 1.00 0.59 H new ATOM 0 HA LEU A 149 -7.082 -10.728 6.213 1.00 0.59 H new ATOM 0 HB2 LEU A 149 -4.892 -9.607 7.988 1.00 0.73 H new ATOM 0 HB3 LEU A 149 -6.339 -10.293 8.701 1.00 0.73 H new ATOM 0 HG LEU A 149 -4.891 -11.856 6.561 1.00 0.76 H new ATOM 0 HD11 LEU A 149 -3.469 -12.871 8.352 1.00 1.26 H new ATOM 0 HD12 LEU A 149 -3.144 -11.128 8.189 1.00 1.26 H new ATOM 0 HD13 LEU A 149 -4.150 -11.725 9.531 1.00 1.26 H new ATOM 0 HD21 LEU A 149 -5.731 -13.778 7.871 1.00 0.89 H new ATOM 0 HD22 LEU A 149 -6.420 -12.660 9.072 1.00 0.89 H new ATOM 0 HD23 LEU A 149 -7.055 -12.682 7.410 1.00 0.89 H new ATOM 2385 N LYS A 150 -7.042 -7.534 6.957 1.00 0.54 N ATOM 2386 CA LYS A 150 -7.836 -6.378 7.315 1.00 0.54 C ATOM 2387 C LYS A 150 -7.488 -5.200 6.397 1.00 0.56 C ATOM 2388 O LYS A 150 -6.326 -5.075 6.004 1.00 0.60 O ATOM 2389 CB LYS A 150 -7.561 -6.034 8.778 1.00 0.61 C ATOM 2390 CG LYS A 150 -8.305 -6.970 9.743 1.00 0.68 C ATOM 2391 CD LYS A 150 -7.919 -6.700 11.201 1.00 1.47 C ATOM 2392 CE LYS A 150 -6.571 -7.332 11.571 1.00 3.45 C ATOM 2393 NZ LYS A 150 -6.115 -6.881 12.900 1.00 4.82 N ATOM 0 H LYS A 150 -6.088 -7.298 6.683 1.00 0.54 H new ATOM 0 HA LYS A 150 -8.897 -6.594 7.191 1.00 0.54 H new ATOM 0 HB2 LYS A 150 -6.490 -6.095 8.969 1.00 0.61 H new ATOM 0 HB3 LYS A 150 -7.861 -5.004 8.970 1.00 0.61 H new ATOM 0 HG2 LYS A 150 -9.380 -6.840 9.621 1.00 0.68 H new ATOM 0 HG3 LYS A 150 -8.079 -8.006 9.492 1.00 0.68 H new ATOM 0 HD2 LYS A 150 -7.872 -5.624 11.369 1.00 1.47 H new ATOM 0 HD3 LYS A 150 -8.695 -7.092 11.859 1.00 1.47 H new ATOM 0 HE2 LYS A 150 -6.662 -8.418 11.565 1.00 3.45 H new ATOM 0 HE3 LYS A 150 -5.826 -7.070 10.820 1.00 3.45 H new ATOM 0 HZ1 LYS A 150 -5.201 -7.325 13.123 1.00 4.82 H new ATOM 0 HZ2 LYS A 150 -6.006 -5.847 12.897 1.00 4.82 H new ATOM 0 HZ3 LYS A 150 -6.816 -7.153 13.618 1.00 4.82 H new ATOM 2407 N ASP A 151 -8.481 -4.351 6.103 1.00 0.63 N ATOM 2408 CA ASP A 151 -8.390 -3.123 5.321 1.00 0.69 C ATOM 2409 C ASP A 151 -9.081 -1.993 6.098 1.00 0.94 C ATOM 2410 O ASP A 151 -10.048 -2.209 6.828 1.00 1.51 O ATOM 2411 CB ASP A 151 -9.070 -3.277 3.948 1.00 0.79 C ATOM 2412 CG ASP A 151 -8.278 -4.043 2.895 1.00 1.24 C ATOM 2413 OD1 ASP A 151 -7.121 -4.422 3.168 1.00 2.28 O ATOM 2414 OD2 ASP A 151 -8.845 -4.216 1.793 1.00 2.00 O ATOM 0 H ASP A 151 -9.432 -4.521 6.430 1.00 0.63 H new ATOM 0 HA ASP A 151 -7.337 -2.896 5.155 1.00 0.69 H new ATOM 0 HB2 ASP A 151 -10.026 -3.780 4.092 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -9.288 -2.283 3.559 1.00 0.79 H new ATOM 2419 N TYR A 152 -8.611 -0.763 5.901 1.00 0.76 N ATOM 2420 CA TYR A 152 -9.112 0.455 6.515 1.00 0.86 C ATOM 2421 C TYR A 152 -8.911 1.565 5.490 1.00 0.90 C ATOM 2422 O TYR A 152 -8.010 1.468 4.661 1.00 0.91 O ATOM 2423 CB TYR A 152 -8.397 0.787 7.830 1.00 1.10 C ATOM 2424 CG TYR A 152 -8.499 -0.295 8.880 1.00 1.39 C ATOM 2425 CD1 TYR A 152 -9.683 -0.422 9.627 1.00 2.23 C ATOM 2426 CD2 TYR A 152 -7.461 -1.233 9.042 1.00 3.00 C ATOM 2427 CE1 TYR A 152 -9.868 -1.529 10.465 1.00 3.45 C ATOM 2428 CE2 TYR A 152 -7.624 -2.307 9.933 1.00 4.28 C ATOM 2429 CZ TYR A 152 -8.853 -2.488 10.589 1.00 4.28 C ATOM 2430 OH TYR A 152 -9.071 -3.596 11.342 1.00 5.83 O ATOM 0 H TYR A 152 -7.827 -0.585 5.273 1.00 0.76 H new ATOM 0 HA TYR A 152 -10.163 0.336 6.779 1.00 0.86 H new ATOM 0 HB2 TYR A 152 -7.344 0.976 7.620 1.00 1.10 H new ATOM 0 HB3 TYR A 152 -8.813 1.710 8.234 1.00 1.10 H new ATOM 0 HD1 TYR A 152 -10.450 0.334 9.555 1.00 2.23 H new ATOM 0 HD2 TYR A 152 -6.543 -1.127 8.483 1.00 3.00 H new ATOM 0 HE1 TYR A 152 -10.791 -1.644 11.014 1.00 3.45 H new ATOM 0 HE2 TYR A 152 -6.808 -2.991 10.113 1.00 4.28 H new ATOM 0 HH TYR A 152 -9.818 -4.106 10.965 1.00 5.83 H new ATOM 2440 N ASN A 153 -9.715 2.624 5.494 1.00 1.09 N ATOM 2441 CA ASN A 153 -9.553 3.658 4.498 1.00 1.27 C ATOM 2442 C ASN A 153 -8.289 4.426 4.838 1.00 1.87 C ATOM 2443 O ASN A 153 -7.337 4.449 4.063 1.00 3.40 O ATOM 2444 CB ASN A 153 -10.820 4.514 4.442 1.00 1.23 C ATOM 2445 CG ASN A 153 -10.684 5.615 3.403 1.00 1.56 C ATOM 2446 OD1 ASN A 153 -9.719 5.657 2.656 1.00 2.20 O ATOM 2447 ND2 ASN A 153 -11.626 6.546 3.350 1.00 1.77 N ATOM 0 H ASN A 153 -10.468 2.781 6.164 1.00 1.09 H new ATOM 0 HA ASN A 153 -9.430 3.257 3.492 1.00 1.27 H new ATOM 0 HB2 ASN A 153 -11.678 3.886 4.202 1.00 1.23 H new ATOM 0 HB3 ASN A 153 -11.010 4.954 5.421 1.00 1.23 H new ATOM 0 HD21 ASN A 153 -11.550 7.310 2.679 1.00 1.77 H new ATOM 0 HD22 ASN A 153 -12.427 6.498 3.980 1.00 1.77 H new ATOM 2520 N PRO A 159 -13.667 2.106 7.616 1.00 2.19 N ATOM 2521 CA PRO A 159 -12.919 0.864 7.574 1.00 1.77 C ATOM 2522 C PRO A 159 -12.691 0.470 6.114 1.00 1.57 C ATOM 2523 O PRO A 159 -11.892 1.124 5.465 1.00 1.74 O ATOM 2524 CB PRO A 159 -13.726 -0.135 8.399 1.00 1.62 C ATOM 2525 CG PRO A 159 -15.172 0.343 8.225 1.00 1.49 C ATOM 2526 CD PRO A 159 -15.041 1.853 7.995 1.00 1.84 C ATOM 0 HA PRO A 159 -11.919 0.926 8.004 1.00 1.77 H new ATOM 0 HB2 PRO A 159 -13.594 -1.154 8.036 1.00 1.62 H new ATOM 0 HB3 PRO A 159 -13.424 -0.127 9.446 1.00 1.62 H new ATOM 0 HG2 PRO A 159 -15.656 -0.148 7.381 1.00 1.49 H new ATOM 0 HG3 PRO A 159 -15.773 0.125 9.108 1.00 1.49 H new ATOM 0 HD2 PRO A 159 -15.724 2.185 7.213 1.00 1.84 H new ATOM 0 HD3 PRO A 159 -15.300 2.405 8.899 1.00 1.84 H new ATOM 2534 N TYR A 160 -13.472 -0.433 5.518 1.00 1.61 N ATOM 2535 CA TYR A 160 -13.154 -1.395 4.466 1.00 1.70 C ATOM 2536 C TYR A 160 -12.961 -2.831 4.924 1.00 1.84 C ATOM 2537 O TYR A 160 -13.338 -3.679 4.142 1.00 1.87 O ATOM 2538 CB TYR A 160 -11.884 -1.022 3.686 1.00 1.99 C ATOM 2539 CG TYR A 160 -12.090 0.006 2.601 1.00 2.12 C ATOM 2540 CD1 TYR A 160 -13.035 -0.237 1.592 1.00 2.62 C ATOM 2541 CD2 TYR A 160 -11.247 1.121 2.506 1.00 2.97 C ATOM 2542 CE1 TYR A 160 -13.137 0.627 0.500 1.00 2.97 C ATOM 2543 CE2 TYR A 160 -11.426 2.052 1.471 1.00 3.33 C ATOM 2544 CZ TYR A 160 -12.370 1.804 0.459 1.00 2.96 C ATOM 2545 OH TYR A 160 -12.502 2.674 -0.581 1.00 3.58 O ATOM 0 H TYR A 160 -14.451 -0.515 5.793 1.00 1.61 H new ATOM 0 HA TYR A 160 -14.047 -1.342 3.843 1.00 1.70 H new ATOM 0 HB2 TYR A 160 -11.140 -0.645 4.388 1.00 1.99 H new ATOM 0 HB3 TYR A 160 -11.471 -1.926 3.238 1.00 1.99 H new ATOM 0 HD1 TYR A 160 -13.686 -1.096 1.661 1.00 2.62 H new ATOM 0 HD2 TYR A 160 -10.459 1.264 3.230 1.00 2.97 H new ATOM 0 HE1 TYR A 160 -13.806 0.391 -0.314 1.00 2.97 H new ATOM 0 HE2 TYR A 160 -10.839 2.958 1.452 1.00 3.33 H new ATOM 0 HH TYR A 160 -11.898 3.435 -0.450 1.00 3.58 H new ATOM 2555 N ASP A 161 -12.660 -3.167 6.167 1.00 2.03 N ATOM 2556 CA ASP A 161 -12.736 -4.559 6.621 1.00 2.29 C ATOM 2557 C ASP A 161 -14.096 -5.146 6.236 1.00 1.98 C ATOM 2558 O ASP A 161 -14.184 -6.182 5.580 1.00 1.93 O ATOM 2559 CB ASP A 161 -12.615 -4.623 8.150 1.00 2.87 C ATOM 2560 CG ASP A 161 -11.218 -4.630 8.738 1.00 3.45 C ATOM 2561 OD1 ASP A 161 -10.275 -4.892 7.971 1.00 3.48 O ATOM 2562 OD2 ASP A 161 -11.100 -4.420 9.966 1.00 4.50 O ATOM 0 H ASP A 161 -12.361 -2.504 6.882 1.00 2.03 H new ATOM 0 HA ASP A 161 -11.925 -5.120 6.156 1.00 2.29 H new ATOM 0 HB2 ASP A 161 -13.152 -3.771 8.567 1.00 2.87 H new ATOM 0 HB3 ASP A 161 -13.129 -5.521 8.492 1.00 2.87 H new ATOM 2567 N ASP A 162 -15.143 -4.399 6.587 1.00 1.84 N ATOM 2568 CA ASP A 162 -16.536 -4.749 6.393 1.00 1.83 C ATOM 2569 C ASP A 162 -16.805 -4.904 4.896 1.00 1.48 C ATOM 2570 O ASP A 162 -16.826 -6.011 4.362 1.00 1.43 O ATOM 2571 CB ASP A 162 -17.397 -3.674 7.081 1.00 1.99 C ATOM 2572 CG ASP A 162 -18.817 -3.618 6.544 1.00 2.41 C ATOM 2573 OD1 ASP A 162 -19.619 -4.502 6.902 1.00 3.60 O ATOM 2574 OD2 ASP A 162 -19.047 -2.676 5.756 1.00 2.82 O ATOM 0 H ASP A 162 -15.029 -3.490 7.036 1.00 1.84 H new ATOM 0 HA ASP A 162 -16.794 -5.706 6.848 1.00 1.83 H new ATOM 0 HB2 ASP A 162 -17.427 -3.871 8.153 1.00 1.99 H new ATOM 0 HB3 ASP A 162 -16.926 -2.700 6.949 1.00 1.99 H new ATOM 2579 N ILE A 163 -16.944 -3.760 4.229 1.00 1.40 N ATOM 2580 CA ILE A 163 -17.107 -3.595 2.791 1.00 1.34 C ATOM 2581 C ILE A 163 -16.301 -4.633 2.001 1.00 1.28 C ATOM 2582 O ILE A 163 -16.832 -5.324 1.139 1.00 1.30 O ATOM 2583 CB ILE A 163 -16.661 -2.175 2.394 1.00 1.45 C ATOM 2584 CG1 ILE A 163 -17.340 -1.073 3.228 1.00 1.55 C ATOM 2585 CG2 ILE A 163 -16.923 -1.914 0.903 1.00 1.74 C ATOM 2586 CD1 ILE A 163 -16.367 -0.438 4.234 1.00 1.58 C ATOM 0 H ILE A 163 -16.945 -2.863 4.715 1.00 1.40 H new ATOM 0 HA ILE A 163 -18.159 -3.744 2.548 1.00 1.34 H new ATOM 0 HB ILE A 163 -15.591 -2.132 2.597 1.00 1.45 H new ATOM 0 HG12 ILE A 163 -17.730 -0.302 2.563 1.00 1.55 H new ATOM 0 HG13 ILE A 163 -18.192 -1.494 3.762 1.00 1.55 H new ATOM 0 HG21 ILE A 163 -16.600 -0.905 0.648 1.00 1.74 H new ATOM 0 HG22 ILE A 163 -16.367 -2.635 0.304 1.00 1.74 H new ATOM 0 HG23 ILE A 163 -17.989 -2.016 0.697 1.00 1.74 H new ATOM 0 HD11 ILE A 163 -16.884 0.335 4.803 1.00 1.58 H new ATOM 0 HD12 ILE A 163 -15.997 -1.204 4.916 1.00 1.58 H new ATOM 0 HD13 ILE A 163 -15.528 0.006 3.698 1.00 1.58 H new ATOM 2598 N ILE A 164 -14.993 -4.712 2.248 1.00 1.40 N ATOM 2599 CA ILE A 164 -14.092 -5.570 1.501 1.00 1.49 C ATOM 2600 C ILE A 164 -14.366 -7.034 1.815 1.00 1.33 C ATOM 2601 O ILE A 164 -14.398 -7.829 0.884 1.00 1.29 O ATOM 2602 CB ILE A 164 -12.625 -5.180 1.718 1.00 1.81 C ATOM 2603 CG1 ILE A 164 -12.291 -3.769 1.248 1.00 2.42 C ATOM 2604 CG2 ILE A 164 -11.635 -6.207 1.184 1.00 1.90 C ATOM 2605 CD1 ILE A 164 -12.939 -3.341 -0.042 1.00 1.68 C ATOM 0 H ILE A 164 -14.531 -4.174 2.981 1.00 1.40 H new ATOM 0 HA ILE A 164 -14.284 -5.427 0.438 1.00 1.49 H new ATOM 0 HB ILE A 164 -12.506 -5.176 2.802 1.00 1.81 H new ATOM 0 HG12 ILE A 164 -12.581 -3.067 2.030 1.00 2.42 H new ATOM 0 HG13 ILE A 164 -11.210 -3.690 1.134 1.00 2.42 H new ATOM 0 HG21 ILE A 164 -10.618 -5.864 1.373 1.00 1.90 H new ATOM 0 HG22 ILE A 164 -11.795 -7.162 1.685 1.00 1.90 H new ATOM 0 HG23 ILE A 164 -11.783 -6.331 0.111 1.00 1.90 H new ATOM 0 HD11 ILE A 164 -12.633 -2.323 -0.282 1.00 1.68 H new ATOM 0 HD12 ILE A 164 -12.630 -4.011 -0.844 1.00 1.68 H new ATOM 0 HD13 ILE A 164 -14.023 -3.379 0.065 1.00 1.68 H new ATOM 2617 N SER A 165 -14.557 -7.416 3.081 1.00 1.39 N ATOM 2618 CA SER A 165 -14.935 -8.786 3.408 1.00 1.45 C ATOM 2619 C SER A 165 -16.214 -9.151 2.647 1.00 1.28 C ATOM 2620 O SER A 165 -16.263 -10.180 1.966 1.00 1.29 O ATOM 2621 CB SER A 165 -15.097 -8.952 4.926 1.00 1.82 C ATOM 2622 OG SER A 165 -15.294 -10.312 5.268 1.00 2.55 O ATOM 0 H SER A 165 -14.456 -6.799 3.887 1.00 1.39 H new ATOM 0 HA SER A 165 -14.147 -9.472 3.098 1.00 1.45 H new ATOM 0 HB2 SER A 165 -14.212 -8.570 5.434 1.00 1.82 H new ATOM 0 HB3 SER A 165 -15.944 -8.360 5.272 1.00 1.82 H new ATOM 0 HG SER A 165 -14.436 -10.714 5.518 1.00 2.55 H new ATOM 2628 N ASP A 166 -17.224 -8.276 2.706 1.00 1.29 N ATOM 2629 CA ASP A 166 -18.485 -8.490 2.006 1.00 1.42 C ATOM 2630 C ASP A 166 -18.251 -8.688 0.505 1.00 1.41 C ATOM 2631 O ASP A 166 -18.584 -9.730 -0.059 1.00 1.54 O ATOM 2632 CB ASP A 166 -19.440 -7.322 2.261 1.00 1.57 C ATOM 2633 CG ASP A 166 -20.725 -7.540 1.473 1.00 1.89 C ATOM 2634 OD1 ASP A 166 -21.562 -8.329 1.960 1.00 2.70 O ATOM 2635 OD2 ASP A 166 -20.822 -6.951 0.376 1.00 2.47 O ATOM 0 H ASP A 166 -17.186 -7.407 3.238 1.00 1.29 H new ATOM 0 HA ASP A 166 -18.943 -9.400 2.394 1.00 1.42 H new ATOM 0 HB2 ASP A 166 -19.662 -7.244 3.325 1.00 1.57 H new ATOM 0 HB3 ASP A 166 -18.972 -6.383 1.963 1.00 1.57 H new ATOM 2640 N VAL A 167 -17.630 -7.701 -0.139 1.00 1.42 N ATOM 2641 CA VAL A 167 -17.368 -7.719 -1.568 1.00 1.66 C ATOM 2642 C VAL A 167 -16.530 -8.941 -1.950 1.00 1.55 C ATOM 2643 O VAL A 167 -16.821 -9.592 -2.949 1.00 1.78 O ATOM 2644 CB VAL A 167 -16.727 -6.386 -1.996 1.00 1.88 C ATOM 2645 CG1 VAL A 167 -16.184 -6.441 -3.430 1.00 2.27 C ATOM 2646 CG2 VAL A 167 -17.768 -5.260 -1.924 1.00 2.00 C ATOM 0 H VAL A 167 -17.293 -6.859 0.327 1.00 1.42 H new ATOM 0 HA VAL A 167 -18.307 -7.814 -2.114 1.00 1.66 H new ATOM 0 HB VAL A 167 -15.898 -6.198 -1.314 1.00 1.88 H new ATOM 0 HG11 VAL A 167 -15.741 -5.479 -3.689 1.00 2.27 H new ATOM 0 HG12 VAL A 167 -15.426 -7.221 -3.502 1.00 2.27 H new ATOM 0 HG13 VAL A 167 -16.999 -6.662 -4.119 1.00 2.27 H new ATOM 0 HG21 VAL A 167 -17.308 -4.320 -2.228 1.00 2.00 H new ATOM 0 HG22 VAL A 167 -18.599 -5.490 -2.591 1.00 2.00 H new ATOM 0 HG23 VAL A 167 -18.137 -5.170 -0.902 1.00 2.00 H new ATOM 2656 N LYS A 168 -15.481 -9.267 -1.191 1.00 1.32 N ATOM 2657 CA LYS A 168 -14.648 -10.432 -1.438 1.00 1.30 C ATOM 2658 C LYS A 168 -15.484 -11.709 -1.362 1.00 1.27 C ATOM 2659 O LYS A 168 -15.313 -12.590 -2.208 1.00 1.41 O ATOM 2660 CB LYS A 168 -13.494 -10.472 -0.428 1.00 1.37 C ATOM 2661 CG LYS A 168 -12.422 -9.390 -0.651 1.00 2.13 C ATOM 2662 CD LYS A 168 -11.155 -9.881 -1.377 1.00 2.49 C ATOM 2663 CE LYS A 168 -11.337 -10.245 -2.858 1.00 2.67 C ATOM 2664 NZ LYS A 168 -11.557 -9.065 -3.722 1.00 3.32 N ATOM 0 H LYS A 168 -15.188 -8.720 -0.381 1.00 1.32 H new ATOM 0 HA LYS A 168 -14.228 -10.363 -2.441 1.00 1.30 H new ATOM 0 HB2 LYS A 168 -13.902 -10.362 0.577 1.00 1.37 H new ATOM 0 HB3 LYS A 168 -13.020 -11.452 -0.474 1.00 1.37 H new ATOM 0 HG2 LYS A 168 -12.861 -8.575 -1.226 1.00 2.13 H new ATOM 0 HG3 LYS A 168 -12.134 -8.978 0.316 1.00 2.13 H new ATOM 0 HD2 LYS A 168 -10.392 -9.106 -1.303 1.00 2.49 H new ATOM 0 HD3 LYS A 168 -10.773 -10.756 -0.851 1.00 2.49 H new ATOM 0 HE2 LYS A 168 -10.455 -10.783 -3.205 1.00 2.67 H new ATOM 0 HE3 LYS A 168 -12.184 -10.924 -2.958 1.00 2.67 H new ATOM 0 HZ1 LYS A 168 -12.105 -9.346 -4.560 1.00 3.32 H new ATOM 0 HZ2 LYS A 168 -12.082 -8.340 -3.192 1.00 3.32 H new ATOM 0 HZ3 LYS A 168 -10.639 -8.678 -4.022 1.00 3.32 H new ATOM 2678 N SER A 169 -16.374 -11.799 -0.363 1.00 1.32 N ATOM 2679 CA SER A 169 -17.347 -12.878 -0.250 1.00 1.67 C ATOM 2680 C SER A 169 -18.153 -12.958 -1.551 1.00 1.94 C ATOM 2681 O SER A 169 -17.995 -13.893 -2.337 1.00 2.24 O ATOM 2682 CB SER A 169 -18.216 -12.709 1.007 1.00 1.95 C ATOM 2683 OG SER A 169 -18.918 -13.909 1.264 1.00 2.24 O ATOM 0 H SER A 169 -16.433 -11.116 0.392 1.00 1.32 H new ATOM 0 HA SER A 169 -16.840 -13.834 -0.120 1.00 1.67 H new ATOM 0 HB2 SER A 169 -17.590 -12.452 1.862 1.00 1.95 H new ATOM 0 HB3 SER A 169 -18.919 -11.888 0.868 1.00 1.95 H new ATOM 0 HG SER A 169 -19.470 -13.800 2.066 1.00 2.24 H new ATOM 2689 N ALA A 170 -18.960 -11.927 -1.798 1.00 2.01 N ATOM 2690 CA ALA A 170 -19.857 -11.810 -2.940 1.00 2.43 C ATOM 2691 C ALA A 170 -19.159 -12.112 -4.270 1.00 2.58 C ATOM 2692 O ALA A 170 -19.739 -12.771 -5.129 1.00 2.97 O ATOM 2693 CB ALA A 170 -20.469 -10.407 -2.956 1.00 2.57 C ATOM 0 H ALA A 170 -19.006 -11.117 -1.179 1.00 2.01 H new ATOM 0 HA ALA A 170 -20.642 -12.558 -2.829 1.00 2.43 H new ATOM 0 HB1 ALA A 170 -21.141 -10.313 -3.809 1.00 2.57 H new ATOM 0 HB2 ALA A 170 -21.027 -10.243 -2.034 1.00 2.57 H new ATOM 0 HB3 ALA A 170 -19.675 -9.665 -3.037 1.00 2.57 H new ATOM 2699 N SER A 171 -17.930 -11.618 -4.451 1.00 2.37 N ATOM 2700 CA SER A 171 -17.164 -11.828 -5.670 1.00 2.66 C ATOM 2701 C SER A 171 -16.969 -13.321 -5.935 1.00 2.72 C ATOM 2702 O SER A 171 -17.410 -13.823 -6.964 1.00 3.21 O ATOM 2703 CB SER A 171 -15.805 -11.120 -5.594 1.00 2.45 C ATOM 2704 OG SER A 171 -15.955 -9.718 -5.503 1.00 3.22 O ATOM 0 H SER A 171 -17.442 -11.060 -3.750 1.00 2.37 H new ATOM 0 HA SER A 171 -17.728 -11.398 -6.498 1.00 2.66 H new ATOM 0 HB2 SER A 171 -15.252 -11.485 -4.728 1.00 2.45 H new ATOM 0 HB3 SER A 171 -15.215 -11.367 -6.477 1.00 2.45 H new ATOM 0 HG SER A 171 -16.292 -9.482 -4.613 1.00 3.22 H new ATOM 2710 N THR A 172 -16.249 -14.012 -5.043 1.00 2.42 N ATOM 2711 CA THR A 172 -15.862 -15.409 -5.253 1.00 2.65 C ATOM 2712 C THR A 172 -15.255 -16.009 -3.988 1.00 2.20 C ATOM 2713 O THR A 172 -14.430 -16.917 -4.059 1.00 2.31 O ATOM 2714 CB THR A 172 -14.883 -15.498 -6.435 1.00 3.36 C ATOM 2715 OG1 THR A 172 -14.528 -16.835 -6.719 1.00 3.21 O ATOM 2716 CG2 THR A 172 -13.609 -14.668 -6.236 1.00 4.08 C ATOM 0 H THR A 172 -15.921 -13.620 -4.161 1.00 2.42 H new ATOM 0 HA THR A 172 -16.753 -15.991 -5.488 1.00 2.65 H new ATOM 0 HB THR A 172 -15.424 -15.076 -7.282 1.00 3.36 H new ATOM 0 HG1 THR A 172 -14.387 -17.321 -5.880 1.00 3.21 H new ATOM 0 HG21 THR A 172 -12.964 -14.777 -7.108 1.00 4.08 H new ATOM 0 HG22 THR A 172 -13.875 -13.618 -6.110 1.00 4.08 H new ATOM 0 HG23 THR A 172 -13.082 -15.018 -5.348 1.00 4.08 H new