USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1052 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 97 ASN : amide:sc= 1.76 K(o=3.1,f=-7.1!) USER MOD Set 1.2: A 98 LYS NZ :NH3+ 163:sc= 1.3 (180deg=0) USER MOD Set 2.1: A 20 CYS SG : rot -156:sc= 0.16 USER MOD Set 2.2: A 69 TYR OH : rot -13:sc= 0.028 USER MOD Set 3.1: A 61 GLN : amide:sc= 1.58 K(o=2.6,f=-2.2!) USER MOD Set 3.2: A 104 ASN : amide:sc= 1.01 K(o=2.6,f=-0.046) USER MOD Set 4.1: A 6 LYS NZ :NH3+ -169:sc= 1.11 (180deg=-0.306) USER MOD Set 4.2: A 50 TYR OH : rot -60:sc= 0.705 USER MOD Set 5.1: A 43 THR OG1 : rot 89:sc= 1.2 USER MOD Set 5.2: A 45 THR OG1 : rot 19:sc= 1.39 USER MOD Set 6.1: A 5 GLN : amide:sc= 0.512 K(o=0.74,f=-2.1!) USER MOD Set 6.2: A 35 THR OG1 : rot -120:sc= 0.23 USER MOD Set 7.1: A 10 MET CE :methyl 178:sc= -0.126 (180deg=-0.139) USER MOD Set 7.2: A 73 THR OG1 : rot -119:sc= -0.55 USER MOD Single : A 11 GLN : amide:sc= 0.823 K(o=0.82,f=-0.17) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -167:sc= -1.37 (180deg=-1.7) USER MOD Single : A 16 THR OG1 : rot 61:sc= 0.335 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.171 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 2.94 (180deg=2.82) USER MOD Single : A 31 MET CE :methyl 154:sc= 0 (180deg=-0.0682) USER MOD Single : A 38 ASN : amide:sc= 1.07 K(o=1.1,f=-0.16) USER MOD Single : A 40 ASN : amide:sc= -0.105 K(o=-0.1,f=-1) USER MOD Single : A 47 ASN : amide:sc= -0.0188 K(o=-0.019,f=-1.7) USER MOD Single : A 55 THR OG1 : rot -120:sc= 0.165 USER MOD Single : A 57 THR OG1 : rot -126:sc= 1.08 USER MOD Single : A 63 LYS NZ :NH3+ 168:sc= 0.188! (180deg=-0.957!) USER MOD Single : A 66 LYS NZ :NH3+ 173:sc= 1.27 (180deg=1.07) USER MOD Single : A 70 HIS : no HD1:sc= -0.0996 X(o=-0.1,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -139:sc= -0.755 (180deg=-4.68!) USER MOD Single : A 88 CYS SG : rot -85:sc= 1.3 USER MOD Single : A 90 ASN : amide:sc= -0.38 K(o=-0.38,f=-2.8!) USER MOD Single : A 94 LYS NZ :NH3+ 159:sc= 0.787 (180deg=-2.32!) USER MOD Single : A 108 ASN : amide:sc=-0.00159 K(o=-0.0016,f=-2.2!) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 120:sc= 0 USER MOD Single : A 119 ASN : amide:sc= 0.472 K(o=0.47,f=-13!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ -123:sc= -0.0266 (180deg=-0.647) USER MOD Single : A 134 LYS NZ :NH3+ -160:sc= 2.17 (180deg=1.09) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 161:sc= 1.06 (180deg=0.888) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 179:sc= 0.542 (180deg=0.497) USER MOD ----------------------------------------------------------------- ATOM 65 N GLN A 5 0.541 -15.762 4.334 1.00 1.22 N ATOM 66 CA GLN A 5 -0.134 -14.761 3.534 1.00 0.93 C ATOM 67 C GLN A 5 -0.361 -13.502 4.361 1.00 1.08 C ATOM 68 O GLN A 5 -0.696 -13.578 5.540 1.00 1.62 O ATOM 69 CB GLN A 5 -1.485 -15.305 3.050 1.00 1.06 C ATOM 70 CG GLN A 5 -1.364 -16.650 2.328 1.00 1.19 C ATOM 71 CD GLN A 5 -0.471 -16.542 1.096 1.00 1.29 C ATOM 72 OE1 GLN A 5 0.746 -16.620 1.209 1.00 2.44 O ATOM 73 NE2 GLN A 5 -1.069 -16.328 -0.071 1.00 2.35 N ATOM 0 HA GLN A 5 0.488 -14.519 2.672 1.00 0.93 H new ATOM 0 HB2 GLN A 5 -2.153 -15.416 3.904 1.00 1.06 H new ATOM 0 HB3 GLN A 5 -1.944 -14.579 2.379 1.00 1.06 H new ATOM 0 HG2 GLN A 5 -0.956 -17.396 3.011 1.00 1.19 H new ATOM 0 HG3 GLN A 5 -2.354 -16.996 2.032 1.00 1.19 H new ATOM 0 HE21 GLN A 5 -2.086 -16.270 -0.120 1.00 2.35 H new ATOM 0 HE22 GLN A 5 -0.511 -16.222 -0.918 1.00 2.35 H new ATOM 82 N LYS A 6 -0.211 -12.349 3.716 1.00 0.80 N ATOM 83 CA LYS A 6 -0.573 -11.072 4.311 1.00 0.89 C ATOM 84 C LYS A 6 -2.009 -10.753 3.941 1.00 1.01 C ATOM 85 O LYS A 6 -2.480 -11.200 2.895 1.00 1.12 O ATOM 86 CB LYS A 6 0.326 -9.977 3.733 1.00 0.97 C ATOM 87 CG LYS A 6 -0.047 -9.721 2.262 1.00 1.30 C ATOM 88 CD LYS A 6 1.149 -9.258 1.456 1.00 1.37 C ATOM 89 CE LYS A 6 1.618 -7.859 1.833 1.00 1.28 C ATOM 90 NZ LYS A 6 0.557 -6.845 1.641 1.00 2.45 N ATOM 0 H LYS A 6 0.164 -12.276 2.770 1.00 0.80 H new ATOM 0 HA LYS A 6 -0.457 -11.122 5.394 1.00 0.89 H new ATOM 0 HB2 LYS A 6 0.215 -9.060 4.311 1.00 0.97 H new ATOM 0 HB3 LYS A 6 1.372 -10.276 3.806 1.00 0.97 H new ATOM 0 HG2 LYS A 6 -0.450 -10.634 1.824 1.00 1.30 H new ATOM 0 HG3 LYS A 6 -0.834 -8.969 2.211 1.00 1.30 H new ATOM 0 HD2 LYS A 6 1.970 -9.961 1.599 1.00 1.37 H new ATOM 0 HD3 LYS A 6 0.895 -9.276 0.396 1.00 1.37 H new ATOM 0 HE2 LYS A 6 1.940 -7.853 2.874 1.00 1.28 H new ATOM 0 HE3 LYS A 6 2.486 -7.593 1.230 1.00 1.28 H new ATOM 0 HZ1 LYS A 6 0.967 -5.893 1.728 1.00 2.45 H new ATOM 0 HZ2 LYS A 6 0.137 -6.956 0.696 1.00 2.45 H new ATOM 0 HZ3 LYS A 6 -0.180 -6.972 2.364 1.00 2.45 H new ATOM 104 N GLU A 7 -2.621 -9.856 4.700 1.00 1.00 N ATOM 105 CA GLU A 7 -3.725 -9.033 4.264 1.00 0.83 C ATOM 106 C GLU A 7 -3.172 -7.690 3.767 1.00 0.86 C ATOM 107 O GLU A 7 -2.072 -7.268 4.132 1.00 1.23 O ATOM 108 CB GLU A 7 -4.693 -8.820 5.440 1.00 0.82 C ATOM 109 CG GLU A 7 -4.902 -10.082 6.298 1.00 1.86 C ATOM 110 CD GLU A 7 -3.952 -10.153 7.496 1.00 1.91 C ATOM 111 OE1 GLU A 7 -2.761 -9.810 7.313 1.00 2.35 O ATOM 112 OE2 GLU A 7 -4.442 -10.537 8.579 1.00 2.90 O ATOM 0 H GLU A 7 -2.349 -9.680 5.667 1.00 1.00 H new ATOM 0 HA GLU A 7 -4.266 -9.518 3.452 1.00 0.83 H new ATOM 0 HB2 GLU A 7 -4.313 -8.018 6.073 1.00 0.82 H new ATOM 0 HB3 GLU A 7 -5.657 -8.490 5.052 1.00 0.82 H new ATOM 0 HG2 GLU A 7 -5.931 -10.106 6.655 1.00 1.86 H new ATOM 0 HG3 GLU A 7 -4.760 -10.966 5.676 1.00 1.86 H new ATOM 119 N ILE A 8 -3.936 -6.999 2.928 1.00 0.74 N ATOM 120 CA ILE A 8 -3.875 -5.548 2.784 1.00 0.87 C ATOM 121 C ILE A 8 -5.304 -5.064 2.537 1.00 0.75 C ATOM 122 O ILE A 8 -6.031 -5.725 1.796 1.00 0.80 O ATOM 123 CB ILE A 8 -2.874 -5.146 1.679 1.00 0.95 C ATOM 124 CG1 ILE A 8 -3.129 -3.759 1.069 1.00 1.03 C ATOM 125 CG2 ILE A 8 -2.782 -6.190 0.572 1.00 1.31 C ATOM 126 CD1 ILE A 8 -4.061 -3.739 -0.155 1.00 2.80 C ATOM 0 H ILE A 8 -4.626 -7.438 2.319 1.00 0.74 H new ATOM 0 HA ILE A 8 -3.495 -5.065 3.684 1.00 0.87 H new ATOM 0 HB ILE A 8 -1.916 -5.092 2.197 1.00 0.95 H new ATOM 0 HG12 ILE A 8 -3.554 -3.115 1.839 1.00 1.03 H new ATOM 0 HG13 ILE A 8 -2.171 -3.325 0.783 1.00 1.03 H new ATOM 0 HG21 ILE A 8 -2.065 -5.860 -0.180 1.00 1.31 H new ATOM 0 HG22 ILE A 8 -2.454 -7.140 0.994 1.00 1.31 H new ATOM 0 HG23 ILE A 8 -3.761 -6.317 0.110 1.00 1.31 H new ATOM 0 HD11 ILE A 8 -4.175 -2.714 -0.509 1.00 2.80 H new ATOM 0 HD12 ILE A 8 -3.633 -4.351 -0.949 1.00 2.80 H new ATOM 0 HD13 ILE A 8 -5.036 -4.137 0.124 1.00 2.80 H new ATOM 138 N ALA A 9 -5.702 -3.947 3.159 1.00 0.66 N ATOM 139 CA ALA A 9 -6.994 -3.304 2.974 1.00 0.54 C ATOM 140 C ALA A 9 -6.757 -1.926 2.365 1.00 0.51 C ATOM 141 O ALA A 9 -5.919 -1.186 2.874 1.00 0.62 O ATOM 142 CB ALA A 9 -7.701 -3.180 4.327 1.00 0.59 C ATOM 0 H ALA A 9 -5.108 -3.455 3.826 1.00 0.66 H new ATOM 0 HA ALA A 9 -7.626 -3.894 2.310 1.00 0.54 H new ATOM 0 HB1 ALA A 9 -8.669 -2.698 4.189 1.00 0.59 H new ATOM 0 HB2 ALA A 9 -7.847 -4.172 4.754 1.00 0.59 H new ATOM 0 HB3 ALA A 9 -7.091 -2.581 5.003 1.00 0.59 H new ATOM 148 N MET A 10 -7.461 -1.593 1.282 1.00 0.45 N ATOM 149 CA MET A 10 -7.483 -0.246 0.711 1.00 0.52 C ATOM 150 C MET A 10 -8.889 0.055 0.169 1.00 0.53 C ATOM 151 O MET A 10 -9.748 -0.825 0.157 1.00 0.60 O ATOM 152 CB MET A 10 -6.405 -0.073 -0.372 1.00 0.56 C ATOM 153 CG MET A 10 -5.001 0.119 0.223 1.00 0.74 C ATOM 154 SD MET A 10 -3.783 0.874 -0.887 1.00 1.54 S ATOM 155 CE MET A 10 -3.965 -0.141 -2.372 1.00 1.67 C ATOM 0 H MET A 10 -8.039 -2.260 0.771 1.00 0.45 H new ATOM 0 HA MET A 10 -7.249 0.474 1.495 1.00 0.52 H new ATOM 0 HB2 MET A 10 -6.404 -0.947 -1.023 1.00 0.56 H new ATOM 0 HB3 MET A 10 -6.654 0.787 -0.994 1.00 0.56 H new ATOM 0 HG2 MET A 10 -5.085 0.737 1.117 1.00 0.74 H new ATOM 0 HG3 MET A 10 -4.624 -0.853 0.542 1.00 0.74 H new ATOM 0 HE1 MET A 10 -3.301 0.232 -3.152 1.00 1.67 H new ATOM 0 HE2 MET A 10 -3.707 -1.174 -2.140 1.00 1.67 H new ATOM 0 HE3 MET A 10 -4.997 -0.094 -2.721 1.00 1.67 H new ATOM 165 N GLN A 11 -9.124 1.279 -0.313 1.00 0.51 N ATOM 166 CA GLN A 11 -10.347 1.661 -1.011 1.00 0.51 C ATOM 167 C GLN A 11 -10.093 1.670 -2.516 1.00 0.53 C ATOM 168 O GLN A 11 -8.971 1.900 -2.971 1.00 0.78 O ATOM 169 CB GLN A 11 -10.824 3.032 -0.520 1.00 0.58 C ATOM 170 CG GLN A 11 -11.521 2.910 0.835 1.00 1.21 C ATOM 171 CD GLN A 11 -11.706 4.269 1.493 1.00 1.66 C ATOM 172 OE1 GLN A 11 -12.090 5.244 0.852 1.00 1.86 O ATOM 173 NE2 GLN A 11 -11.406 4.357 2.778 1.00 2.47 N ATOM 0 H GLN A 11 -8.455 2.044 -0.225 1.00 0.51 H new ATOM 0 HA GLN A 11 -11.133 0.937 -0.799 1.00 0.51 H new ATOM 0 HB2 GLN A 11 -9.974 3.710 -0.437 1.00 0.58 H new ATOM 0 HB3 GLN A 11 -11.509 3.466 -1.249 1.00 0.58 H new ATOM 0 HG2 GLN A 11 -12.492 2.433 0.704 1.00 1.21 H new ATOM 0 HG3 GLN A 11 -10.935 2.265 1.490 1.00 1.21 H new ATOM 0 HE21 GLN A 11 -11.090 3.531 3.286 1.00 2.47 H new ATOM 0 HE22 GLN A 11 -11.491 5.251 3.262 1.00 2.47 H new ATOM 182 N VAL A 12 -11.145 1.414 -3.293 1.00 0.42 N ATOM 183 CA VAL A 12 -11.117 1.315 -4.736 1.00 0.41 C ATOM 184 C VAL A 12 -12.388 1.975 -5.276 1.00 0.38 C ATOM 185 O VAL A 12 -13.410 1.976 -4.595 1.00 0.44 O ATOM 186 CB VAL A 12 -10.982 -0.168 -5.120 1.00 0.49 C ATOM 187 CG1 VAL A 12 -12.126 -1.029 -4.574 1.00 0.54 C ATOM 188 CG2 VAL A 12 -10.947 -0.346 -6.633 1.00 0.57 C ATOM 0 H VAL A 12 -12.078 1.265 -2.908 1.00 0.42 H new ATOM 0 HA VAL A 12 -10.266 1.834 -5.177 1.00 0.41 H new ATOM 0 HB VAL A 12 -10.044 -0.498 -4.673 1.00 0.49 H new ATOM 0 HG11 VAL A 12 -11.978 -2.066 -4.876 1.00 0.54 H new ATOM 0 HG12 VAL A 12 -12.141 -0.967 -3.486 1.00 0.54 H new ATOM 0 HG13 VAL A 12 -13.075 -0.668 -4.971 1.00 0.54 H new ATOM 0 HG21 VAL A 12 -10.851 -1.405 -6.873 1.00 0.57 H new ATOM 0 HG22 VAL A 12 -11.869 0.042 -7.066 1.00 0.57 H new ATOM 0 HG23 VAL A 12 -10.096 0.197 -7.044 1.00 0.57 H new ATOM 198 N SER A 13 -12.316 2.553 -6.475 1.00 0.40 N ATOM 199 CA SER A 13 -13.401 3.282 -7.114 1.00 0.41 C ATOM 200 C SER A 13 -13.845 2.583 -8.398 1.00 0.42 C ATOM 201 O SER A 13 -13.166 1.685 -8.888 1.00 0.55 O ATOM 202 CB SER A 13 -12.908 4.682 -7.453 1.00 0.52 C ATOM 203 OG SER A 13 -12.293 5.281 -6.330 1.00 0.80 O ATOM 0 H SER A 13 -11.470 2.523 -7.044 1.00 0.40 H new ATOM 0 HA SER A 13 -14.251 3.325 -6.433 1.00 0.41 H new ATOM 0 HB2 SER A 13 -12.199 4.633 -8.279 1.00 0.52 H new ATOM 0 HB3 SER A 13 -13.744 5.296 -7.787 1.00 0.52 H new ATOM 0 HG SER A 13 -11.981 6.179 -6.568 1.00 0.80 H new ATOM 209 N GLY A 14 -14.989 3.016 -8.942 1.00 0.47 N ATOM 210 CA GLY A 14 -15.646 2.392 -10.089 1.00 0.56 C ATOM 211 C GLY A 14 -16.628 1.301 -9.647 1.00 0.57 C ATOM 212 O GLY A 14 -17.362 0.739 -10.467 1.00 0.68 O ATOM 0 H GLY A 14 -15.492 3.829 -8.586 1.00 0.47 H new ATOM 0 HA2 GLY A 14 -16.178 3.151 -10.663 1.00 0.56 H new ATOM 0 HA3 GLY A 14 -14.894 1.961 -10.750 1.00 0.56 H new ATOM 216 N MET A 15 -16.664 1.014 -8.340 1.00 0.57 N ATOM 217 CA MET A 15 -17.560 0.033 -7.755 1.00 0.66 C ATOM 218 C MET A 15 -19.003 0.515 -7.810 1.00 0.74 C ATOM 219 O MET A 15 -19.568 1.003 -6.837 1.00 0.93 O ATOM 220 CB MET A 15 -17.137 -0.313 -6.334 1.00 0.72 C ATOM 221 CG MET A 15 -15.808 -1.064 -6.363 1.00 0.85 C ATOM 222 SD MET A 15 -15.525 -2.035 -4.882 1.00 1.46 S ATOM 223 CE MET A 15 -15.583 -0.747 -3.630 1.00 2.78 C ATOM 0 H MET A 15 -16.059 1.469 -7.656 1.00 0.57 H new ATOM 0 HA MET A 15 -17.497 -0.881 -8.345 1.00 0.66 H new ATOM 0 HB2 MET A 15 -17.039 0.597 -5.741 1.00 0.72 H new ATOM 0 HB3 MET A 15 -17.901 -0.925 -5.855 1.00 0.72 H new ATOM 0 HG2 MET A 15 -15.786 -1.721 -7.232 1.00 0.85 H new ATOM 0 HG3 MET A 15 -14.994 -0.349 -6.484 1.00 0.85 H new ATOM 0 HE1 MET A 15 -15.200 -1.138 -2.687 1.00 2.78 H new ATOM 0 HE2 MET A 15 -14.971 0.097 -3.948 1.00 2.78 H new ATOM 0 HE3 MET A 15 -16.613 -0.418 -3.494 1.00 2.78 H new ATOM 233 N THR A 16 -19.591 0.341 -8.984 1.00 0.88 N ATOM 234 CA THR A 16 -20.943 0.757 -9.282 1.00 1.14 C ATOM 235 C THR A 16 -21.932 -0.240 -8.670 1.00 1.18 C ATOM 236 O THR A 16 -23.059 0.126 -8.349 1.00 1.33 O ATOM 237 CB THR A 16 -21.079 0.888 -10.806 1.00 1.55 C ATOM 238 OG1 THR A 16 -20.003 1.657 -11.321 1.00 1.68 O ATOM 239 CG2 THR A 16 -22.387 1.583 -11.195 1.00 1.88 C ATOM 0 H THR A 16 -19.124 -0.106 -9.773 1.00 0.88 H new ATOM 0 HA THR A 16 -21.172 1.728 -8.842 1.00 1.14 H new ATOM 0 HB THR A 16 -21.071 -0.120 -11.222 1.00 1.55 H new ATOM 0 HG1 THR A 16 -19.155 1.205 -11.127 1.00 1.68 H new ATOM 0 HG21 THR A 16 -22.450 1.659 -12.281 1.00 1.88 H new ATOM 0 HG22 THR A 16 -23.232 1.004 -10.822 1.00 1.88 H new ATOM 0 HG23 THR A 16 -22.412 2.582 -10.760 1.00 1.88 H new ATOM 247 N CYS A 17 -21.522 -1.508 -8.521 1.00 1.34 N ATOM 248 CA CYS A 17 -22.383 -2.575 -8.022 1.00 1.83 C ATOM 249 C CYS A 17 -21.538 -3.811 -7.721 1.00 1.26 C ATOM 250 O CYS A 17 -20.384 -3.879 -8.148 1.00 2.79 O ATOM 251 CB CYS A 17 -23.444 -2.908 -9.079 1.00 3.55 C ATOM 252 SG CYS A 17 -24.833 -3.809 -8.349 1.00 4.48 S ATOM 0 H CYS A 17 -20.577 -1.818 -8.746 1.00 1.34 H new ATOM 0 HA CYS A 17 -22.879 -2.251 -7.107 1.00 1.83 H new ATOM 0 HB2 CYS A 17 -23.805 -1.988 -9.538 1.00 3.55 H new ATOM 0 HB3 CYS A 17 -22.996 -3.506 -9.872 1.00 3.55 H new ATOM 0 HG CYS A 17 -25.712 -4.072 -9.270 1.00 4.48 H new ATOM 258 N ALA A 18 -22.118 -4.799 -7.031 1.00 1.18 N ATOM 259 CA ALA A 18 -21.499 -6.082 -6.711 1.00 1.81 C ATOM 260 C ALA A 18 -20.685 -6.663 -7.871 1.00 1.63 C ATOM 261 O ALA A 18 -19.573 -7.131 -7.664 1.00 2.59 O ATOM 262 CB ALA A 18 -22.576 -7.073 -6.260 1.00 2.93 C ATOM 0 H ALA A 18 -23.068 -4.720 -6.668 1.00 1.18 H new ATOM 0 HA ALA A 18 -20.791 -5.907 -5.901 1.00 1.81 H new ATOM 0 HB1 ALA A 18 -22.113 -8.030 -6.021 1.00 2.93 H new ATOM 0 HB2 ALA A 18 -23.081 -6.684 -5.376 1.00 2.93 H new ATOM 0 HB3 ALA A 18 -23.302 -7.211 -7.061 1.00 2.93 H new ATOM 268 N ALA A 19 -21.221 -6.630 -9.095 1.00 0.98 N ATOM 269 CA ALA A 19 -20.522 -7.137 -10.271 1.00 0.87 C ATOM 270 C ALA A 19 -19.150 -6.479 -10.464 1.00 0.74 C ATOM 271 O ALA A 19 -18.188 -7.156 -10.824 1.00 0.75 O ATOM 272 CB ALA A 19 -21.399 -6.950 -11.511 1.00 1.20 C ATOM 0 H ALA A 19 -22.147 -6.252 -9.294 1.00 0.98 H new ATOM 0 HA ALA A 19 -20.335 -8.200 -10.117 1.00 0.87 H new ATOM 0 HB1 ALA A 19 -20.875 -7.329 -12.388 1.00 1.20 H new ATOM 0 HB2 ALA A 19 -22.333 -7.497 -11.382 1.00 1.20 H new ATOM 0 HB3 ALA A 19 -21.615 -5.890 -11.648 1.00 1.20 H new ATOM 278 N CYS A 20 -19.043 -5.169 -10.221 1.00 0.70 N ATOM 279 CA CYS A 20 -17.770 -4.470 -10.355 1.00 0.69 C ATOM 280 C CYS A 20 -16.791 -5.051 -9.344 1.00 0.64 C ATOM 281 O CYS A 20 -15.712 -5.519 -9.695 1.00 0.69 O ATOM 282 CB CYS A 20 -17.915 -2.962 -10.120 1.00 0.72 C ATOM 283 SG CYS A 20 -18.824 -2.159 -11.460 1.00 0.90 S ATOM 0 H CYS A 20 -19.822 -4.577 -9.932 1.00 0.70 H new ATOM 0 HA CYS A 20 -17.407 -4.608 -11.373 1.00 0.69 H new ATOM 0 HB2 CYS A 20 -18.431 -2.789 -9.176 1.00 0.72 H new ATOM 0 HB3 CYS A 20 -16.927 -2.511 -10.030 1.00 0.72 H new ATOM 0 HG CYS A 20 -18.500 -0.901 -11.511 1.00 0.90 H new ATOM 289 N ALA A 21 -17.200 -5.054 -8.075 1.00 0.61 N ATOM 290 CA ALA A 21 -16.429 -5.645 -6.989 1.00 0.66 C ATOM 291 C ALA A 21 -15.975 -7.075 -7.343 1.00 0.62 C ATOM 292 O ALA A 21 -14.797 -7.417 -7.264 1.00 0.69 O ATOM 293 CB ALA A 21 -17.281 -5.587 -5.716 1.00 0.79 C ATOM 0 H ALA A 21 -18.083 -4.642 -7.773 1.00 0.61 H new ATOM 0 HA ALA A 21 -15.511 -5.082 -6.821 1.00 0.66 H new ATOM 0 HB1 ALA A 21 -16.726 -6.024 -4.886 1.00 0.79 H new ATOM 0 HB2 ALA A 21 -17.520 -4.549 -5.485 1.00 0.79 H new ATOM 0 HB3 ALA A 21 -18.204 -6.147 -5.870 1.00 0.79 H new ATOM 299 N ALA A 22 -16.913 -7.901 -7.807 1.00 0.63 N ATOM 300 CA ALA A 22 -16.673 -9.274 -8.223 1.00 0.72 C ATOM 301 C ALA A 22 -15.688 -9.342 -9.385 1.00 0.79 C ATOM 302 O ALA A 22 -14.906 -10.286 -9.465 1.00 0.83 O ATOM 303 CB ALA A 22 -17.997 -9.952 -8.581 1.00 0.83 C ATOM 0 H ALA A 22 -17.889 -7.620 -7.905 1.00 0.63 H new ATOM 0 HA ALA A 22 -16.221 -9.810 -7.388 1.00 0.72 H new ATOM 0 HB1 ALA A 22 -17.807 -10.980 -8.891 1.00 0.83 H new ATOM 0 HB2 ALA A 22 -18.653 -9.951 -7.711 1.00 0.83 H new ATOM 0 HB3 ALA A 22 -18.475 -9.409 -9.396 1.00 0.83 H new ATOM 309 N ARG A 23 -15.697 -8.361 -10.290 1.00 0.86 N ATOM 310 CA ARG A 23 -14.703 -8.288 -11.341 1.00 1.02 C ATOM 311 C ARG A 23 -13.300 -8.186 -10.748 1.00 0.92 C ATOM 312 O ARG A 23 -12.417 -8.926 -11.183 1.00 0.96 O ATOM 313 CB ARG A 23 -15.000 -7.143 -12.321 1.00 1.16 C ATOM 314 CG ARG A 23 -15.634 -7.664 -13.609 1.00 1.34 C ATOM 315 CD ARG A 23 -14.689 -8.643 -14.326 1.00 1.50 C ATOM 316 NE ARG A 23 -14.532 -8.295 -15.749 1.00 1.90 N ATOM 317 CZ ARG A 23 -13.705 -8.914 -16.606 1.00 2.19 C ATOM 318 NH1 ARG A 23 -13.003 -9.978 -16.199 1.00 2.59 N ATOM 319 NH2 ARG A 23 -13.582 -8.466 -17.862 1.00 2.53 N ATOM 0 H ARG A 23 -16.386 -7.609 -10.309 1.00 0.86 H new ATOM 0 HA ARG A 23 -14.751 -9.211 -11.918 1.00 1.02 H new ATOM 0 HB2 ARG A 23 -15.669 -6.423 -11.850 1.00 1.16 H new ATOM 0 HB3 ARG A 23 -14.076 -6.614 -12.556 1.00 1.16 H new ATOM 0 HG2 ARG A 23 -16.576 -8.163 -13.380 1.00 1.34 H new ATOM 0 HG3 ARG A 23 -15.868 -6.828 -14.269 1.00 1.34 H new ATOM 0 HD2 ARG A 23 -13.714 -8.633 -13.838 1.00 1.50 H new ATOM 0 HD3 ARG A 23 -15.079 -9.657 -14.239 1.00 1.50 H new ATOM 0 HE ARG A 23 -15.095 -7.525 -16.110 1.00 1.90 H new ATOM 0 HH11 ARG A 23 -13.098 -10.315 -15.241 1.00 2.59 H new ATOM 0 HH12 ARG A 23 -12.373 -10.452 -16.847 1.00 2.59 H new ATOM 0 HH21 ARG A 23 -14.117 -7.653 -18.168 1.00 2.53 H new ATOM 0 HH22 ARG A 23 -12.953 -8.937 -18.512 1.00 2.53 H new ATOM 333 N ILE A 24 -13.087 -7.311 -9.757 1.00 0.83 N ATOM 334 CA ILE A 24 -11.823 -7.272 -9.054 1.00 0.78 C ATOM 335 C ILE A 24 -11.572 -8.637 -8.434 1.00 0.57 C ATOM 336 O ILE A 24 -10.533 -9.230 -8.704 1.00 0.63 O ATOM 337 CB ILE A 24 -11.819 -6.150 -8.008 1.00 0.86 C ATOM 338 CG1 ILE A 24 -11.715 -4.781 -8.683 1.00 1.26 C ATOM 339 CG2 ILE A 24 -10.661 -6.259 -7.028 1.00 1.11 C ATOM 340 CD1 ILE A 24 -13.043 -4.269 -9.197 1.00 0.75 C ATOM 0 H ILE A 24 -13.775 -6.630 -9.434 1.00 0.83 H new ATOM 0 HA ILE A 24 -11.012 -7.050 -9.748 1.00 0.78 H new ATOM 0 HB ILE A 24 -12.758 -6.254 -7.464 1.00 0.86 H new ATOM 0 HG12 ILE A 24 -11.306 -4.063 -7.973 1.00 1.26 H new ATOM 0 HG13 ILE A 24 -11.011 -4.844 -9.513 1.00 1.26 H new ATOM 0 HG21 ILE A 24 -10.711 -5.438 -6.313 1.00 1.11 H new ATOM 0 HG22 ILE A 24 -10.723 -7.208 -6.496 1.00 1.11 H new ATOM 0 HG23 ILE A 24 -9.718 -6.209 -7.572 1.00 1.11 H new ATOM 0 HD11 ILE A 24 -12.901 -3.295 -9.664 1.00 0.75 H new ATOM 0 HD12 ILE A 24 -13.443 -4.969 -9.931 1.00 0.75 H new ATOM 0 HD13 ILE A 24 -13.743 -4.175 -8.367 1.00 0.75 H new ATOM 352 N GLU A 25 -12.505 -9.152 -7.627 1.00 0.47 N ATOM 353 CA GLU A 25 -12.261 -10.404 -6.932 1.00 0.50 C ATOM 354 C GLU A 25 -11.793 -11.478 -7.900 1.00 0.55 C ATOM 355 O GLU A 25 -10.782 -12.129 -7.655 1.00 0.55 O ATOM 356 CB GLU A 25 -13.516 -10.923 -6.224 1.00 0.80 C ATOM 357 CG GLU A 25 -13.935 -10.074 -5.022 1.00 0.99 C ATOM 358 CD GLU A 25 -14.622 -10.867 -3.909 1.00 2.64 C ATOM 359 OE1 GLU A 25 -14.536 -12.122 -3.944 1.00 3.73 O ATOM 360 OE2 GLU A 25 -15.175 -10.191 -3.013 1.00 3.55 O ATOM 0 H GLU A 25 -13.414 -8.727 -7.446 1.00 0.47 H new ATOM 0 HA GLU A 25 -11.490 -10.195 -6.191 1.00 0.50 H new ATOM 0 HB2 GLU A 25 -14.338 -10.957 -6.939 1.00 0.80 H new ATOM 0 HB3 GLU A 25 -13.339 -11.946 -5.892 1.00 0.80 H new ATOM 0 HG2 GLU A 25 -13.053 -9.582 -4.612 1.00 0.99 H new ATOM 0 HG3 GLU A 25 -14.609 -9.288 -5.363 1.00 0.99 H new ATOM 367 N LYS A 26 -12.534 -11.668 -8.991 1.00 0.71 N ATOM 368 CA LYS A 26 -12.263 -12.733 -9.929 1.00 0.84 C ATOM 369 C LYS A 26 -10.949 -12.459 -10.662 1.00 0.86 C ATOM 370 O LYS A 26 -10.101 -13.344 -10.776 1.00 0.96 O ATOM 371 CB LYS A 26 -13.450 -12.938 -10.883 1.00 0.98 C ATOM 372 CG LYS A 26 -13.340 -14.374 -11.414 1.00 1.04 C ATOM 373 CD LYS A 26 -14.015 -14.637 -12.765 1.00 1.54 C ATOM 374 CE LYS A 26 -15.546 -14.584 -12.674 1.00 1.36 C ATOM 375 NZ LYS A 26 -16.186 -15.118 -13.895 1.00 2.10 N ATOM 0 H LYS A 26 -13.333 -11.086 -9.240 1.00 0.71 H new ATOM 0 HA LYS A 26 -12.142 -13.672 -9.388 1.00 0.84 H new ATOM 0 HB2 LYS A 26 -14.396 -12.788 -10.363 1.00 0.98 H new ATOM 0 HB3 LYS A 26 -13.419 -12.218 -11.701 1.00 0.98 H new ATOM 0 HG2 LYS A 26 -12.284 -14.630 -11.500 1.00 1.04 H new ATOM 0 HG3 LYS A 26 -13.772 -15.049 -10.675 1.00 1.04 H new ATOM 0 HD2 LYS A 26 -13.671 -13.899 -13.490 1.00 1.54 H new ATOM 0 HD3 LYS A 26 -13.709 -15.615 -13.137 1.00 1.54 H new ATOM 0 HE2 LYS A 26 -15.879 -15.157 -11.809 1.00 1.36 H new ATOM 0 HE3 LYS A 26 -15.866 -13.554 -12.517 1.00 1.36 H new ATOM 0 HZ1 LYS A 26 -17.220 -15.066 -13.796 1.00 2.10 H new ATOM 0 HZ2 LYS A 26 -15.888 -14.556 -14.718 1.00 2.10 H new ATOM 0 HZ3 LYS A 26 -15.901 -16.109 -14.031 1.00 2.10 H new ATOM 389 N GLY A 27 -10.782 -11.230 -11.157 1.00 0.84 N ATOM 390 CA GLY A 27 -9.567 -10.810 -11.832 1.00 0.93 C ATOM 391 C GLY A 27 -8.341 -11.104 -10.972 1.00 0.79 C ATOM 392 O GLY A 27 -7.345 -11.631 -11.459 1.00 0.84 O ATOM 0 H GLY A 27 -11.493 -10.501 -11.097 1.00 0.84 H new ATOM 0 HA2 GLY A 27 -9.479 -11.327 -12.788 1.00 0.93 H new ATOM 0 HA3 GLY A 27 -9.617 -9.743 -12.050 1.00 0.93 H new ATOM 396 N LEU A 28 -8.413 -10.752 -9.689 1.00 0.65 N ATOM 397 CA LEU A 28 -7.322 -10.938 -8.753 1.00 0.58 C ATOM 398 C LEU A 28 -7.143 -12.412 -8.388 1.00 0.58 C ATOM 399 O LEU A 28 -6.013 -12.891 -8.399 1.00 0.58 O ATOM 400 CB LEU A 28 -7.507 -10.015 -7.538 1.00 0.56 C ATOM 401 CG LEU A 28 -7.024 -8.568 -7.778 1.00 0.64 C ATOM 402 CD1 LEU A 28 -5.495 -8.538 -7.868 1.00 1.41 C ATOM 403 CD2 LEU A 28 -7.622 -7.865 -9.001 1.00 1.63 C ATOM 0 H LEU A 28 -9.241 -10.326 -9.273 1.00 0.65 H new ATOM 0 HA LEU A 28 -6.385 -10.647 -9.228 1.00 0.58 H new ATOM 0 HB2 LEU A 28 -8.562 -9.996 -7.265 1.00 0.56 H new ATOM 0 HB3 LEU A 28 -6.966 -10.433 -6.689 1.00 0.56 H new ATOM 0 HG LEU A 28 -7.386 -8.005 -6.917 1.00 0.64 H new ATOM 0 HD11 LEU A 28 -5.161 -7.515 -8.037 1.00 1.41 H new ATOM 0 HD12 LEU A 28 -5.068 -8.910 -6.936 1.00 1.41 H new ATOM 0 HD13 LEU A 28 -5.167 -9.168 -8.694 1.00 1.41 H new ATOM 0 HD21 LEU A 28 -7.216 -6.856 -9.076 1.00 1.63 H new ATOM 0 HD22 LEU A 28 -7.371 -8.425 -9.902 1.00 1.63 H new ATOM 0 HD23 LEU A 28 -8.706 -7.813 -8.897 1.00 1.63 H new ATOM 415 N LYS A 29 -8.234 -13.147 -8.129 1.00 0.61 N ATOM 416 CA LYS A 29 -8.205 -14.593 -7.887 1.00 0.66 C ATOM 417 C LYS A 29 -7.452 -15.334 -9.007 1.00 0.74 C ATOM 418 O LYS A 29 -6.951 -16.432 -8.791 1.00 0.80 O ATOM 419 CB LYS A 29 -9.626 -15.181 -7.697 1.00 0.74 C ATOM 420 CG LYS A 29 -9.926 -15.682 -6.270 1.00 0.97 C ATOM 421 CD LYS A 29 -10.425 -14.620 -5.269 1.00 1.30 C ATOM 422 CE LYS A 29 -11.959 -14.449 -5.251 1.00 1.65 C ATOM 423 NZ LYS A 29 -12.429 -13.640 -4.098 1.00 2.75 N ATOM 0 H LYS A 29 -9.171 -12.748 -8.082 1.00 0.61 H new ATOM 0 HA LYS A 29 -7.662 -14.745 -6.954 1.00 0.66 H new ATOM 0 HB2 LYS A 29 -10.359 -14.419 -7.962 1.00 0.74 H new ATOM 0 HB3 LYS A 29 -9.759 -16.008 -8.394 1.00 0.74 H new ATOM 0 HG2 LYS A 29 -10.675 -16.472 -6.334 1.00 0.97 H new ATOM 0 HG3 LYS A 29 -9.019 -16.134 -5.867 1.00 0.97 H new ATOM 0 HD2 LYS A 29 -10.088 -14.891 -4.269 1.00 1.30 H new ATOM 0 HD3 LYS A 29 -9.965 -13.662 -5.512 1.00 1.30 H new ATOM 0 HE2 LYS A 29 -12.279 -13.974 -6.178 1.00 1.65 H new ATOM 0 HE3 LYS A 29 -12.430 -15.431 -5.217 1.00 1.65 H new ATOM 0 HZ1 LYS A 29 -13.457 -13.498 -4.169 1.00 2.75 H new ATOM 0 HZ2 LYS A 29 -12.209 -14.138 -3.212 1.00 2.75 H new ATOM 0 HZ3 LYS A 29 -11.951 -12.716 -4.104 1.00 2.75 H new ATOM 437 N ARG A 30 -7.376 -14.745 -10.204 1.00 0.76 N ATOM 438 CA ARG A 30 -6.649 -15.289 -11.345 1.00 0.86 C ATOM 439 C ARG A 30 -5.126 -15.380 -11.125 1.00 0.90 C ATOM 440 O ARG A 30 -4.451 -16.080 -11.878 1.00 1.13 O ATOM 441 CB ARG A 30 -6.981 -14.430 -12.575 1.00 0.92 C ATOM 442 CG ARG A 30 -6.909 -15.214 -13.893 1.00 1.05 C ATOM 443 CD ARG A 30 -7.701 -14.480 -14.984 1.00 1.96 C ATOM 444 NE ARG A 30 -7.700 -15.222 -16.257 1.00 2.17 N ATOM 445 CZ ARG A 30 -6.807 -15.078 -17.252 1.00 2.94 C ATOM 446 NH1 ARG A 30 -5.751 -14.274 -17.089 1.00 4.33 N ATOM 447 NH2 ARG A 30 -6.979 -15.736 -18.404 1.00 3.13 N ATOM 0 H ARG A 30 -7.831 -13.855 -10.407 1.00 0.76 H new ATOM 0 HA ARG A 30 -6.972 -16.320 -11.492 1.00 0.86 H new ATOM 0 HB2 ARG A 30 -7.982 -14.014 -12.461 1.00 0.92 H new ATOM 0 HB3 ARG A 30 -6.289 -13.589 -12.621 1.00 0.92 H new ATOM 0 HG2 ARG A 30 -5.870 -15.329 -14.201 1.00 1.05 H new ATOM 0 HG3 ARG A 30 -7.312 -16.217 -13.752 1.00 1.05 H new ATOM 0 HD2 ARG A 30 -8.728 -14.333 -14.650 1.00 1.96 H new ATOM 0 HD3 ARG A 30 -7.272 -13.490 -15.140 1.00 1.96 H new ATOM 0 HE ARG A 30 -8.443 -15.906 -16.396 1.00 2.17 H new ATOM 0 HH11 ARG A 30 -5.624 -13.771 -16.211 1.00 4.33 H new ATOM 0 HH12 ARG A 30 -5.073 -14.164 -17.843 1.00 4.33 H new ATOM 0 HH21 ARG A 30 -7.787 -16.346 -18.527 1.00 3.13 H new ATOM 0 HH22 ARG A 30 -6.302 -15.627 -19.159 1.00 3.13 H new ATOM 461 N MET A 31 -4.567 -14.647 -10.156 1.00 0.71 N ATOM 462 CA MET A 31 -3.135 -14.682 -9.838 1.00 0.70 C ATOM 463 C MET A 31 -2.775 -15.980 -9.094 1.00 0.76 C ATOM 464 O MET A 31 -3.670 -16.659 -8.603 1.00 1.04 O ATOM 465 CB MET A 31 -2.796 -13.429 -9.019 1.00 0.55 C ATOM 466 CG MET A 31 -3.017 -12.138 -9.826 1.00 0.79 C ATOM 467 SD MET A 31 -1.516 -11.237 -10.308 1.00 1.36 S ATOM 468 CE MET A 31 -0.837 -12.327 -11.579 1.00 1.24 C ATOM 0 H MET A 31 -5.100 -14.008 -9.566 1.00 0.71 H new ATOM 0 HA MET A 31 -2.540 -14.678 -10.751 1.00 0.70 H new ATOM 0 HB2 MET A 31 -3.412 -13.405 -8.120 1.00 0.55 H new ATOM 0 HB3 MET A 31 -1.757 -13.479 -8.692 1.00 0.55 H new ATOM 0 HG2 MET A 31 -3.573 -12.388 -10.729 1.00 0.79 H new ATOM 0 HG3 MET A 31 -3.646 -11.469 -9.239 1.00 0.79 H new ATOM 0 HE1 MET A 31 -0.226 -11.745 -12.269 1.00 1.24 H new ATOM 0 HE2 MET A 31 -0.223 -13.095 -11.109 1.00 1.24 H new ATOM 0 HE3 MET A 31 -1.652 -12.799 -12.127 1.00 1.24 H new ATOM 478 N PRO A 32 -1.485 -16.356 -9.005 1.00 0.85 N ATOM 479 CA PRO A 32 -1.071 -17.542 -8.269 1.00 0.92 C ATOM 480 C PRO A 32 -0.978 -17.262 -6.765 1.00 0.80 C ATOM 481 O PRO A 32 -1.491 -18.043 -5.969 1.00 1.21 O ATOM 482 CB PRO A 32 0.280 -17.943 -8.863 1.00 1.14 C ATOM 483 CG PRO A 32 0.872 -16.618 -9.340 1.00 1.17 C ATOM 484 CD PRO A 32 -0.356 -15.790 -9.729 1.00 1.07 C ATOM 0 HA PRO A 32 -1.796 -18.350 -8.365 1.00 0.92 H new ATOM 0 HB2 PRO A 32 0.918 -18.422 -8.120 1.00 1.14 H new ATOM 0 HB3 PRO A 32 0.163 -18.649 -9.685 1.00 1.14 H new ATOM 0 HG2 PRO A 32 1.450 -16.132 -8.554 1.00 1.17 H new ATOM 0 HG3 PRO A 32 1.543 -16.761 -10.187 1.00 1.17 H new ATOM 0 HD2 PRO A 32 -0.215 -14.741 -9.468 1.00 1.07 H new ATOM 0 HD3 PRO A 32 -0.526 -15.831 -10.805 1.00 1.07 H new ATOM 492 N GLY A 33 -0.343 -16.154 -6.361 1.00 0.73 N ATOM 493 CA GLY A 33 -0.001 -15.932 -4.962 1.00 0.65 C ATOM 494 C GLY A 33 -1.210 -15.506 -4.137 1.00 0.59 C ATOM 495 O GLY A 33 -1.151 -15.497 -2.908 1.00 0.64 O ATOM 0 H GLY A 33 -0.058 -15.401 -6.988 1.00 0.73 H new ATOM 0 HA2 GLY A 33 0.420 -16.846 -4.543 1.00 0.65 H new ATOM 0 HA3 GLY A 33 0.771 -15.166 -4.895 1.00 0.65 H new ATOM 499 N VAL A 34 -2.290 -15.098 -4.807 1.00 0.55 N ATOM 500 CA VAL A 34 -3.542 -14.739 -4.172 1.00 0.53 C ATOM 501 C VAL A 34 -4.104 -15.934 -3.412 1.00 0.60 C ATOM 502 O VAL A 34 -4.277 -17.010 -3.977 1.00 0.90 O ATOM 503 CB VAL A 34 -4.508 -14.174 -5.225 1.00 0.55 C ATOM 504 CG1 VAL A 34 -5.004 -15.278 -6.165 1.00 2.23 C ATOM 505 CG2 VAL A 34 -5.699 -13.450 -4.587 1.00 1.72 C ATOM 0 H VAL A 34 -2.311 -15.009 -5.823 1.00 0.55 H new ATOM 0 HA VAL A 34 -3.384 -13.953 -3.433 1.00 0.53 H new ATOM 0 HB VAL A 34 -3.947 -13.442 -5.805 1.00 0.55 H new ATOM 0 HG11 VAL A 34 -5.686 -14.851 -6.900 1.00 2.23 H new ATOM 0 HG12 VAL A 34 -4.154 -15.729 -6.677 1.00 2.23 H new ATOM 0 HG13 VAL A 34 -5.525 -16.041 -5.587 1.00 2.23 H new ATOM 0 HG21 VAL A 34 -6.354 -13.068 -5.370 1.00 1.72 H new ATOM 0 HG22 VAL A 34 -6.253 -14.146 -3.958 1.00 1.72 H new ATOM 0 HG23 VAL A 34 -5.337 -12.620 -3.979 1.00 1.72 H new ATOM 515 N THR A 35 -4.413 -15.733 -2.132 1.00 0.44 N ATOM 516 CA THR A 35 -5.250 -16.669 -1.416 1.00 0.61 C ATOM 517 C THR A 35 -6.694 -16.254 -1.620 1.00 0.86 C ATOM 518 O THR A 35 -7.511 -17.069 -2.043 1.00 1.12 O ATOM 519 CB THR A 35 -4.863 -16.739 0.053 1.00 0.81 C ATOM 520 OG1 THR A 35 -3.582 -17.311 0.091 1.00 1.02 O ATOM 521 CG2 THR A 35 -5.798 -17.628 0.877 1.00 1.23 C ATOM 0 H THR A 35 -4.095 -14.935 -1.581 1.00 0.44 H new ATOM 0 HA THR A 35 -5.113 -17.678 -1.804 1.00 0.61 H new ATOM 0 HB THR A 35 -4.914 -15.737 0.479 1.00 0.81 H new ATOM 0 HG1 THR A 35 -3.609 -18.140 0.613 1.00 1.02 H new ATOM 0 HG21 THR A 35 -5.469 -17.637 1.916 1.00 1.23 H new ATOM 0 HG22 THR A 35 -6.814 -17.238 0.821 1.00 1.23 H new ATOM 0 HG23 THR A 35 -5.777 -18.643 0.481 1.00 1.23 H new ATOM 529 N ASP A 36 -6.998 -14.982 -1.344 1.00 0.81 N ATOM 530 CA ASP A 36 -8.314 -14.451 -1.627 1.00 1.13 C ATOM 531 C ASP A 36 -8.205 -12.962 -1.937 1.00 1.05 C ATOM 532 O ASP A 36 -7.196 -12.318 -1.655 1.00 1.38 O ATOM 533 CB ASP A 36 -9.272 -14.753 -0.465 1.00 1.42 C ATOM 534 CG ASP A 36 -10.745 -14.603 -0.836 1.00 1.79 C ATOM 535 OD1 ASP A 36 -11.035 -14.311 -2.021 1.00 3.45 O ATOM 536 OD2 ASP A 36 -11.585 -14.767 0.071 1.00 1.51 O ATOM 0 H ASP A 36 -6.349 -14.314 -0.928 1.00 0.81 H new ATOM 0 HA ASP A 36 -8.734 -14.937 -2.508 1.00 1.13 H new ATOM 0 HB2 ASP A 36 -9.096 -15.770 -0.114 1.00 1.42 H new ATOM 0 HB3 ASP A 36 -9.045 -14.085 0.366 1.00 1.42 H new ATOM 541 N ALA A 37 -9.249 -12.426 -2.548 1.00 0.90 N ATOM 542 CA ALA A 37 -9.418 -11.024 -2.852 1.00 0.77 C ATOM 543 C ALA A 37 -10.874 -10.734 -2.557 1.00 0.80 C ATOM 544 O ALA A 37 -11.722 -11.253 -3.273 1.00 1.21 O ATOM 545 CB ALA A 37 -9.073 -10.766 -4.321 1.00 0.98 C ATOM 0 H ALA A 37 -10.039 -12.991 -2.859 1.00 0.90 H new ATOM 0 HA ALA A 37 -8.763 -10.379 -2.266 1.00 0.77 H new ATOM 0 HB1 ALA A 37 -9.202 -9.707 -4.545 1.00 0.98 H new ATOM 0 HB2 ALA A 37 -8.038 -11.052 -4.507 1.00 0.98 H new ATOM 0 HB3 ALA A 37 -9.733 -11.355 -4.958 1.00 0.98 H new ATOM 551 N ASN A 38 -11.159 -9.990 -1.491 1.00 0.46 N ATOM 552 CA ASN A 38 -12.506 -9.687 -1.032 1.00 0.50 C ATOM 553 C ASN A 38 -12.742 -8.202 -1.240 1.00 0.46 C ATOM 554 O ASN A 38 -11.793 -7.424 -1.162 1.00 0.36 O ATOM 555 CB ASN A 38 -12.653 -10.013 0.461 1.00 0.57 C ATOM 556 CG ASN A 38 -12.224 -11.435 0.793 1.00 0.79 C ATOM 557 OD1 ASN A 38 -11.310 -11.634 1.588 1.00 2.15 O ATOM 558 ND2 ASN A 38 -12.864 -12.423 0.180 1.00 1.41 N ATOM 0 H ASN A 38 -10.435 -9.570 -0.908 1.00 0.46 H new ATOM 0 HA ASN A 38 -13.228 -10.284 -1.589 1.00 0.50 H new ATOM 0 HB2 ASN A 38 -12.055 -9.312 1.043 1.00 0.57 H new ATOM 0 HB3 ASN A 38 -13.692 -9.871 0.760 1.00 0.57 H new ATOM 0 HD21 ASN A 38 -12.602 -13.392 0.363 1.00 1.41 H new ATOM 0 HD22 ASN A 38 -13.618 -12.214 -0.474 1.00 1.41 H new ATOM 565 N VAL A 39 -13.980 -7.770 -1.467 1.00 0.68 N ATOM 566 CA VAL A 39 -14.252 -6.341 -1.546 1.00 0.57 C ATOM 567 C VAL A 39 -15.658 -5.990 -1.059 1.00 0.86 C ATOM 568 O VAL A 39 -16.667 -6.300 -1.689 1.00 1.17 O ATOM 569 CB VAL A 39 -13.857 -5.810 -2.929 1.00 0.68 C ATOM 570 CG1 VAL A 39 -14.277 -6.731 -4.073 1.00 1.32 C ATOM 571 CG2 VAL A 39 -14.333 -4.380 -3.152 1.00 0.56 C ATOM 0 H VAL A 39 -14.792 -8.374 -1.597 1.00 0.68 H new ATOM 0 HA VAL A 39 -13.619 -5.802 -0.841 1.00 0.57 H new ATOM 0 HB VAL A 39 -12.767 -5.796 -2.938 1.00 0.68 H new ATOM 0 HG11 VAL A 39 -13.967 -6.296 -5.023 1.00 1.32 H new ATOM 0 HG12 VAL A 39 -13.804 -7.705 -3.948 1.00 1.32 H new ATOM 0 HG13 VAL A 39 -15.360 -6.850 -4.065 1.00 1.32 H new ATOM 0 HG21 VAL A 39 -14.030 -4.046 -4.145 1.00 0.56 H new ATOM 0 HG22 VAL A 39 -15.419 -4.341 -3.072 1.00 0.56 H new ATOM 0 HG23 VAL A 39 -13.890 -3.728 -2.399 1.00 0.56 H new ATOM 581 N ASN A 40 -15.701 -5.294 0.080 1.00 0.86 N ATOM 582 CA ASN A 40 -16.920 -4.805 0.695 1.00 1.07 C ATOM 583 C ASN A 40 -17.277 -3.495 0.012 1.00 0.91 C ATOM 584 O ASN A 40 -16.957 -2.421 0.513 1.00 0.79 O ATOM 585 CB ASN A 40 -16.728 -4.592 2.211 1.00 1.24 C ATOM 586 CG ASN A 40 -17.184 -5.774 3.058 1.00 1.67 C ATOM 587 OD1 ASN A 40 -18.167 -6.438 2.745 1.00 2.91 O ATOM 588 ND2 ASN A 40 -16.504 -6.028 4.171 1.00 1.90 N ATOM 0 H ASN A 40 -14.862 -5.053 0.608 1.00 0.86 H new ATOM 0 HA ASN A 40 -17.722 -5.533 0.575 1.00 1.07 H new ATOM 0 HB2 ASN A 40 -15.674 -4.398 2.411 1.00 1.24 H new ATOM 0 HB3 ASN A 40 -17.279 -3.703 2.517 1.00 1.24 H new ATOM 0 HD21 ASN A 40 -16.796 -6.788 4.785 1.00 1.90 H new ATOM 0 HD22 ASN A 40 -15.690 -5.463 4.411 1.00 1.90 H new ATOM 595 N LEU A 41 -17.994 -3.592 -1.110 1.00 0.98 N ATOM 596 CA LEU A 41 -18.652 -2.458 -1.751 1.00 0.91 C ATOM 597 C LEU A 41 -19.464 -1.652 -0.735 1.00 0.82 C ATOM 598 O LEU A 41 -19.526 -0.431 -0.816 1.00 0.77 O ATOM 599 CB LEU A 41 -19.490 -2.885 -2.975 1.00 1.11 C ATOM 600 CG LEU A 41 -20.622 -3.891 -2.712 1.00 1.28 C ATOM 601 CD1 LEU A 41 -21.794 -3.584 -3.651 1.00 2.02 C ATOM 602 CD2 LEU A 41 -20.182 -5.347 -2.920 1.00 1.48 C ATOM 0 H LEU A 41 -18.134 -4.474 -1.603 1.00 0.98 H new ATOM 0 HA LEU A 41 -17.874 -1.800 -2.139 1.00 0.91 H new ATOM 0 HB2 LEU A 41 -19.925 -1.990 -3.420 1.00 1.11 H new ATOM 0 HB3 LEU A 41 -18.817 -3.315 -3.717 1.00 1.11 H new ATOM 0 HG LEU A 41 -20.916 -3.785 -1.668 1.00 1.28 H new ATOM 0 HD11 LEU A 41 -22.601 -4.294 -3.470 1.00 2.02 H new ATOM 0 HD12 LEU A 41 -22.153 -2.572 -3.466 1.00 2.02 H new ATOM 0 HD13 LEU A 41 -21.463 -3.668 -4.686 1.00 2.02 H new ATOM 0 HD21 LEU A 41 -21.022 -6.013 -2.720 1.00 1.48 H new ATOM 0 HD22 LEU A 41 -19.848 -5.483 -3.949 1.00 1.48 H new ATOM 0 HD23 LEU A 41 -19.364 -5.581 -2.239 1.00 1.48 H new ATOM 614 N ALA A 42 -20.027 -2.331 0.267 1.00 0.95 N ATOM 615 CA ALA A 42 -20.828 -1.720 1.314 1.00 0.98 C ATOM 616 C ALA A 42 -20.059 -0.620 2.047 1.00 0.89 C ATOM 617 O ALA A 42 -20.651 0.385 2.432 1.00 0.92 O ATOM 618 CB ALA A 42 -21.305 -2.798 2.292 1.00 1.21 C ATOM 0 H ALA A 42 -19.933 -3.341 0.369 1.00 0.95 H new ATOM 0 HA ALA A 42 -21.694 -1.248 0.851 1.00 0.98 H new ATOM 0 HB1 ALA A 42 -21.906 -2.338 3.076 1.00 1.21 H new ATOM 0 HB2 ALA A 42 -21.907 -3.533 1.758 1.00 1.21 H new ATOM 0 HB3 ALA A 42 -20.442 -3.292 2.738 1.00 1.21 H new ATOM 624 N THR A 43 -18.753 -0.818 2.250 1.00 0.87 N ATOM 625 CA THR A 43 -17.870 0.171 2.854 1.00 0.91 C ATOM 626 C THR A 43 -16.829 0.661 1.838 1.00 0.77 C ATOM 627 O THR A 43 -15.821 1.257 2.213 1.00 0.89 O ATOM 628 CB THR A 43 -17.229 -0.463 4.095 1.00 1.10 C ATOM 629 OG1 THR A 43 -16.417 -1.561 3.738 1.00 0.96 O ATOM 630 CG2 THR A 43 -18.322 -0.989 5.029 1.00 1.50 C ATOM 0 H THR A 43 -18.278 -1.683 1.994 1.00 0.87 H new ATOM 0 HA THR A 43 -18.430 1.055 3.160 1.00 0.91 H new ATOM 0 HB THR A 43 -16.627 0.303 4.584 1.00 1.10 H new ATOM 0 HG1 THR A 43 -15.507 -1.248 3.553 1.00 0.96 H new ATOM 0 HG21 THR A 43 -17.863 -1.439 5.909 1.00 1.50 H new ATOM 0 HG22 THR A 43 -18.966 -0.165 5.336 1.00 1.50 H new ATOM 0 HG23 THR A 43 -18.917 -1.739 4.507 1.00 1.50 H new ATOM 638 N GLU A 44 -17.065 0.378 0.554 1.00 0.66 N ATOM 639 CA GLU A 44 -16.159 0.633 -0.551 1.00 0.63 C ATOM 640 C GLU A 44 -14.710 0.187 -0.279 1.00 0.60 C ATOM 641 O GLU A 44 -13.777 0.885 -0.671 1.00 0.73 O ATOM 642 CB GLU A 44 -16.260 2.104 -0.983 1.00 0.76 C ATOM 643 CG GLU A 44 -17.695 2.479 -1.378 1.00 1.13 C ATOM 644 CD GLU A 44 -17.765 3.903 -1.916 1.00 1.32 C ATOM 645 OE1 GLU A 44 -17.157 4.134 -2.984 1.00 1.25 O ATOM 646 OE2 GLU A 44 -18.417 4.735 -1.249 1.00 2.94 O ATOM 0 H GLU A 44 -17.937 -0.056 0.250 1.00 0.66 H new ATOM 0 HA GLU A 44 -16.478 0.008 -1.385 1.00 0.63 H new ATOM 0 HB2 GLU A 44 -15.926 2.747 -0.168 1.00 0.76 H new ATOM 0 HB3 GLU A 44 -15.591 2.283 -1.825 1.00 0.76 H new ATOM 0 HG2 GLU A 44 -18.060 1.784 -2.134 1.00 1.13 H new ATOM 0 HG3 GLU A 44 -18.350 2.382 -0.512 1.00 1.13 H new ATOM 653 N THR A 45 -14.492 -0.972 0.360 1.00 0.56 N ATOM 654 CA THR A 45 -13.188 -1.380 0.849 1.00 0.57 C ATOM 655 C THR A 45 -12.785 -2.674 0.149 1.00 0.48 C ATOM 656 O THR A 45 -13.494 -3.670 0.284 1.00 0.64 O ATOM 657 CB THR A 45 -13.296 -1.614 2.359 1.00 0.83 C ATOM 658 OG1 THR A 45 -13.952 -0.554 3.024 1.00 1.37 O ATOM 659 CG2 THR A 45 -11.911 -1.794 2.961 1.00 0.67 C ATOM 0 H THR A 45 -15.229 -1.651 0.548 1.00 0.56 H new ATOM 0 HA THR A 45 -12.439 -0.615 0.647 1.00 0.57 H new ATOM 0 HB THR A 45 -13.891 -2.517 2.496 1.00 0.83 H new ATOM 0 HG1 THR A 45 -14.470 -0.032 2.376 1.00 1.37 H new ATOM 0 HG21 THR A 45 -12.000 -1.960 4.035 1.00 0.67 H new ATOM 0 HG22 THR A 45 -11.423 -2.653 2.500 1.00 0.67 H new ATOM 0 HG23 THR A 45 -11.316 -0.899 2.780 1.00 0.67 H new ATOM 667 N VAL A 46 -11.658 -2.679 -0.567 1.00 0.35 N ATOM 668 CA VAL A 46 -11.046 -3.878 -1.110 1.00 0.29 C ATOM 669 C VAL A 46 -10.015 -4.406 -0.112 1.00 0.36 C ATOM 670 O VAL A 46 -9.151 -3.660 0.341 1.00 0.45 O ATOM 671 CB VAL A 46 -10.449 -3.598 -2.503 1.00 0.30 C ATOM 672 CG1 VAL A 46 -9.489 -2.399 -2.556 1.00 0.43 C ATOM 673 CG2 VAL A 46 -9.718 -4.831 -3.036 1.00 0.37 C ATOM 0 H VAL A 46 -11.140 -1.828 -0.786 1.00 0.35 H new ATOM 0 HA VAL A 46 -11.797 -4.655 -1.254 1.00 0.29 H new ATOM 0 HB VAL A 46 -11.307 -3.349 -3.128 1.00 0.30 H new ATOM 0 HG11 VAL A 46 -9.117 -2.275 -3.573 1.00 0.43 H new ATOM 0 HG12 VAL A 46 -10.018 -1.496 -2.251 1.00 0.43 H new ATOM 0 HG13 VAL A 46 -8.651 -2.574 -1.882 1.00 0.43 H new ATOM 0 HG21 VAL A 46 -9.304 -4.612 -4.020 1.00 0.37 H new ATOM 0 HG22 VAL A 46 -8.911 -5.098 -2.354 1.00 0.37 H new ATOM 0 HG23 VAL A 46 -10.417 -5.663 -3.114 1.00 0.37 H new ATOM 683 N ASN A 47 -10.101 -5.696 0.219 1.00 0.32 N ATOM 684 CA ASN A 47 -9.173 -6.388 1.098 1.00 0.36 C ATOM 685 C ASN A 47 -8.572 -7.542 0.303 1.00 0.31 C ATOM 686 O ASN A 47 -9.306 -8.456 -0.064 1.00 0.44 O ATOM 687 CB ASN A 47 -9.911 -6.957 2.320 1.00 0.63 C ATOM 688 CG ASN A 47 -10.461 -5.900 3.269 1.00 1.36 C ATOM 689 OD1 ASN A 47 -10.148 -4.720 3.172 1.00 2.57 O ATOM 690 ND2 ASN A 47 -11.298 -6.318 4.215 1.00 2.00 N ATOM 0 H ASN A 47 -10.844 -6.301 -0.131 1.00 0.32 H new ATOM 0 HA ASN A 47 -8.405 -5.698 1.449 1.00 0.36 H new ATOM 0 HB2 ASN A 47 -10.735 -7.581 1.974 1.00 0.63 H new ATOM 0 HB3 ASN A 47 -9.230 -7.605 2.872 1.00 0.63 H new ATOM 0 HD21 ASN A 47 -11.693 -5.651 4.878 1.00 2.00 H new ATOM 0 HD22 ASN A 47 -11.545 -7.306 4.277 1.00 2.00 H new ATOM 697 N VAL A 48 -7.267 -7.525 0.020 1.00 0.30 N ATOM 698 CA VAL A 48 -6.624 -8.591 -0.743 1.00 0.32 C ATOM 699 C VAL A 48 -5.683 -9.360 0.175 1.00 0.33 C ATOM 700 O VAL A 48 -4.953 -8.746 0.956 1.00 0.43 O ATOM 701 CB VAL A 48 -5.920 -8.060 -2.005 1.00 0.39 C ATOM 702 CG1 VAL A 48 -5.763 -9.204 -3.018 1.00 0.44 C ATOM 703 CG2 VAL A 48 -6.721 -6.940 -2.680 1.00 0.50 C ATOM 0 H VAL A 48 -6.635 -6.779 0.311 1.00 0.30 H new ATOM 0 HA VAL A 48 -7.387 -9.277 -1.111 1.00 0.32 H new ATOM 0 HB VAL A 48 -4.953 -7.664 -1.696 1.00 0.39 H new ATOM 0 HG11 VAL A 48 -5.265 -8.832 -3.913 1.00 0.44 H new ATOM 0 HG12 VAL A 48 -5.166 -10.002 -2.576 1.00 0.44 H new ATOM 0 HG13 VAL A 48 -6.746 -9.591 -3.285 1.00 0.44 H new ATOM 0 HG21 VAL A 48 -6.188 -6.595 -3.566 1.00 0.50 H new ATOM 0 HG22 VAL A 48 -7.701 -7.318 -2.970 1.00 0.50 H new ATOM 0 HG23 VAL A 48 -6.844 -6.110 -1.984 1.00 0.50 H new ATOM 713 N ILE A 49 -5.726 -10.696 0.096 1.00 0.43 N ATOM 714 CA ILE A 49 -4.967 -11.602 0.937 1.00 0.49 C ATOM 715 C ILE A 49 -4.153 -12.519 0.020 1.00 0.44 C ATOM 716 O ILE A 49 -4.722 -13.324 -0.719 1.00 0.43 O ATOM 717 CB ILE A 49 -5.914 -12.393 1.861 1.00 0.66 C ATOM 718 CG1 ILE A 49 -6.655 -11.439 2.817 1.00 0.69 C ATOM 719 CG2 ILE A 49 -5.130 -13.431 2.683 1.00 0.86 C ATOM 720 CD1 ILE A 49 -7.891 -12.082 3.447 1.00 1.06 C ATOM 0 H ILE A 49 -6.313 -11.183 -0.581 1.00 0.43 H new ATOM 0 HA ILE A 49 -4.286 -11.054 1.588 1.00 0.49 H new ATOM 0 HB ILE A 49 -6.640 -12.910 1.234 1.00 0.66 H new ATOM 0 HG12 ILE A 49 -5.974 -11.120 3.606 1.00 0.69 H new ATOM 0 HG13 ILE A 49 -6.954 -10.544 2.272 1.00 0.69 H new ATOM 0 HG21 ILE A 49 -5.817 -13.978 3.328 1.00 0.86 H new ATOM 0 HG22 ILE A 49 -4.632 -14.128 2.009 1.00 0.86 H new ATOM 0 HG23 ILE A 49 -4.385 -12.923 3.295 1.00 0.86 H new ATOM 0 HD11 ILE A 49 -8.375 -11.366 4.111 1.00 1.06 H new ATOM 0 HD12 ILE A 49 -8.588 -12.377 2.662 1.00 1.06 H new ATOM 0 HD13 ILE A 49 -7.593 -12.962 4.017 1.00 1.06 H new ATOM 732 N TYR A 50 -2.825 -12.388 0.026 1.00 0.44 N ATOM 733 CA TYR A 50 -1.970 -13.050 -0.956 1.00 0.40 C ATOM 734 C TYR A 50 -0.557 -13.236 -0.404 1.00 0.44 C ATOM 735 O TYR A 50 -0.246 -12.781 0.701 1.00 0.56 O ATOM 736 CB TYR A 50 -1.928 -12.202 -2.243 1.00 0.37 C ATOM 737 CG TYR A 50 -1.405 -10.794 -2.066 1.00 0.39 C ATOM 738 CD1 TYR A 50 -2.306 -9.779 -1.710 1.00 1.85 C ATOM 739 CD2 TYR A 50 -0.054 -10.476 -2.300 1.00 1.95 C ATOM 740 CE1 TYR A 50 -1.849 -8.472 -1.521 1.00 1.86 C ATOM 741 CE2 TYR A 50 0.414 -9.174 -2.049 1.00 1.96 C ATOM 742 CZ TYR A 50 -0.480 -8.188 -1.598 1.00 0.51 C ATOM 743 OH TYR A 50 -0.011 -7.012 -1.085 1.00 0.72 O ATOM 0 H TYR A 50 -2.317 -11.824 0.707 1.00 0.44 H new ATOM 0 HA TYR A 50 -2.380 -14.035 -1.178 1.00 0.40 H new ATOM 0 HB2 TYR A 50 -1.306 -12.714 -2.977 1.00 0.37 H new ATOM 0 HB3 TYR A 50 -2.934 -12.150 -2.658 1.00 0.37 H new ATOM 0 HD1 TYR A 50 -3.354 -10.008 -1.582 1.00 1.85 H new ATOM 0 HD2 TYR A 50 0.623 -11.231 -2.672 1.00 1.95 H new ATOM 0 HE1 TYR A 50 -2.553 -7.679 -1.315 1.00 1.86 H new ATOM 0 HE2 TYR A 50 1.456 -8.933 -2.202 1.00 1.96 H new ATOM 0 HH TYR A 50 -0.440 -6.260 -1.545 1.00 0.72 H new ATOM 753 N ASP A 51 0.301 -13.875 -1.204 1.00 0.49 N ATOM 754 CA ASP A 51 1.669 -14.194 -0.840 1.00 0.55 C ATOM 755 C ASP A 51 2.610 -13.055 -1.275 1.00 0.54 C ATOM 756 O ASP A 51 2.600 -12.672 -2.449 1.00 0.60 O ATOM 757 CB ASP A 51 2.051 -15.506 -1.539 1.00 0.72 C ATOM 758 CG ASP A 51 3.505 -15.834 -1.286 1.00 1.43 C ATOM 759 OD1 ASP A 51 4.313 -15.187 -1.979 1.00 2.84 O ATOM 760 OD2 ASP A 51 3.789 -16.656 -0.393 1.00 1.60 O ATOM 0 H ASP A 51 0.051 -14.188 -2.142 1.00 0.49 H new ATOM 0 HA ASP A 51 1.760 -14.308 0.240 1.00 0.55 H new ATOM 0 HB2 ASP A 51 1.420 -16.317 -1.175 1.00 0.72 H new ATOM 0 HB3 ASP A 51 1.872 -15.420 -2.611 1.00 0.72 H new ATOM 765 N PRO A 52 3.428 -12.489 -0.368 1.00 0.58 N ATOM 766 CA PRO A 52 4.314 -11.369 -0.676 1.00 0.64 C ATOM 767 C PRO A 52 5.591 -11.748 -1.438 1.00 0.72 C ATOM 768 O PRO A 52 6.518 -10.939 -1.484 1.00 0.91 O ATOM 769 CB PRO A 52 4.665 -10.749 0.684 1.00 0.76 C ATOM 770 CG PRO A 52 4.540 -11.919 1.662 1.00 0.79 C ATOM 771 CD PRO A 52 3.446 -12.795 1.054 1.00 0.67 C ATOM 0 HA PRO A 52 3.803 -10.683 -1.351 1.00 0.64 H new ATOM 0 HB2 PRO A 52 5.672 -10.332 0.686 1.00 0.76 H new ATOM 0 HB3 PRO A 52 3.984 -9.938 0.942 1.00 0.76 H new ATOM 0 HG2 PRO A 52 5.480 -12.463 1.756 1.00 0.79 H new ATOM 0 HG3 PRO A 52 4.268 -11.577 2.661 1.00 0.79 H new ATOM 0 HD2 PRO A 52 3.654 -13.852 1.223 1.00 0.67 H new ATOM 0 HD3 PRO A 52 2.479 -12.584 1.510 1.00 0.67 H new ATOM 779 N ALA A 53 5.659 -12.942 -2.024 1.00 0.74 N ATOM 780 CA ALA A 53 6.861 -13.518 -2.617 1.00 0.84 C ATOM 781 C ALA A 53 6.602 -14.020 -4.039 1.00 0.99 C ATOM 782 O ALA A 53 7.482 -13.901 -4.889 1.00 1.79 O ATOM 783 CB ALA A 53 7.445 -14.587 -1.685 1.00 0.81 C ATOM 0 H ALA A 53 4.848 -13.556 -2.101 1.00 0.74 H new ATOM 0 HA ALA A 53 7.617 -12.740 -2.722 1.00 0.84 H new ATOM 0 HB1 ALA A 53 8.342 -15.012 -2.136 1.00 0.81 H new ATOM 0 HB2 ALA A 53 7.700 -14.134 -0.727 1.00 0.81 H new ATOM 0 HB3 ALA A 53 6.709 -15.376 -1.530 1.00 0.81 H new ATOM 789 N GLU A 54 5.401 -14.523 -4.328 1.00 0.82 N ATOM 790 CA GLU A 54 5.019 -14.923 -5.674 1.00 0.84 C ATOM 791 C GLU A 54 4.558 -13.743 -6.524 1.00 0.94 C ATOM 792 O GLU A 54 4.851 -13.695 -7.717 1.00 1.11 O ATOM 793 CB GLU A 54 3.891 -15.950 -5.624 1.00 0.76 C ATOM 794 CG GLU A 54 4.348 -17.255 -4.962 1.00 0.73 C ATOM 795 CD GLU A 54 3.459 -18.429 -5.369 1.00 0.89 C ATOM 796 OE1 GLU A 54 2.321 -18.160 -5.814 1.00 1.53 O ATOM 797 OE2 GLU A 54 3.947 -19.574 -5.265 1.00 1.97 O ATOM 0 H GLU A 54 4.669 -14.663 -3.632 1.00 0.82 H new ATOM 0 HA GLU A 54 5.910 -15.353 -6.132 1.00 0.84 H new ATOM 0 HB2 GLU A 54 3.046 -15.537 -5.072 1.00 0.76 H new ATOM 0 HB3 GLU A 54 3.541 -16.157 -6.635 1.00 0.76 H new ATOM 0 HG2 GLU A 54 5.380 -17.464 -5.242 1.00 0.73 H new ATOM 0 HG3 GLU A 54 4.329 -17.141 -3.878 1.00 0.73 H new ATOM 804 N THR A 55 3.746 -12.847 -5.953 1.00 0.84 N ATOM 805 CA THR A 55 2.903 -11.961 -6.733 1.00 0.84 C ATOM 806 C THR A 55 3.352 -10.520 -6.494 1.00 0.82 C ATOM 807 O THR A 55 4.116 -9.986 -7.294 1.00 0.97 O ATOM 808 CB THR A 55 1.448 -12.311 -6.390 1.00 0.73 C ATOM 809 OG1 THR A 55 1.119 -13.570 -6.953 1.00 0.86 O ATOM 810 CG2 THR A 55 0.449 -11.286 -6.899 1.00 0.77 C ATOM 0 H THR A 55 3.661 -12.723 -4.944 1.00 0.84 H new ATOM 0 HA THR A 55 2.989 -12.084 -7.813 1.00 0.84 H new ATOM 0 HB THR A 55 1.382 -12.328 -5.302 1.00 0.73 H new ATOM 0 HG1 THR A 55 0.370 -13.464 -7.576 1.00 0.86 H new ATOM 0 HG21 THR A 55 -0.560 -11.593 -6.623 1.00 0.77 H new ATOM 0 HG22 THR A 55 0.667 -10.314 -6.455 1.00 0.77 H new ATOM 0 HG23 THR A 55 0.523 -11.214 -7.984 1.00 0.77 H new ATOM 818 N GLY A 56 2.922 -9.888 -5.397 1.00 0.70 N ATOM 819 CA GLY A 56 3.453 -8.604 -4.986 1.00 0.76 C ATOM 820 C GLY A 56 2.381 -7.536 -5.114 1.00 0.68 C ATOM 821 O GLY A 56 1.774 -7.382 -6.170 1.00 0.69 O ATOM 0 H GLY A 56 2.200 -10.258 -4.779 1.00 0.70 H new ATOM 0 HA2 GLY A 56 3.803 -8.659 -3.955 1.00 0.76 H new ATOM 0 HA3 GLY A 56 4.314 -8.343 -5.601 1.00 0.76 H new ATOM 825 N THR A 57 2.171 -6.798 -4.024 1.00 0.64 N ATOM 826 CA THR A 57 1.285 -5.636 -3.906 1.00 0.62 C ATOM 827 C THR A 57 1.164 -4.820 -5.208 1.00 0.62 C ATOM 828 O THR A 57 0.061 -4.521 -5.668 1.00 0.58 O ATOM 829 CB THR A 57 1.708 -4.796 -2.687 1.00 0.65 C ATOM 830 OG1 THR A 57 0.827 -3.720 -2.462 1.00 0.78 O ATOM 831 CG2 THR A 57 3.147 -4.303 -2.764 1.00 0.78 C ATOM 0 H THR A 57 2.643 -7.007 -3.145 1.00 0.64 H new ATOM 0 HA THR A 57 0.270 -5.994 -3.737 1.00 0.62 H new ATOM 0 HB THR A 57 1.652 -5.473 -1.834 1.00 0.65 H new ATOM 0 HG1 THR A 57 1.335 -2.883 -2.426 1.00 0.78 H new ATOM 0 HG21 THR A 57 3.379 -3.718 -1.874 1.00 0.78 H new ATOM 0 HG22 THR A 57 3.822 -5.157 -2.823 1.00 0.78 H new ATOM 0 HG23 THR A 57 3.271 -3.680 -3.650 1.00 0.78 H new ATOM 839 N ALA A 58 2.296 -4.516 -5.847 1.00 0.67 N ATOM 840 CA ALA A 58 2.314 -3.751 -7.087 1.00 0.70 C ATOM 841 C ALA A 58 1.511 -4.453 -8.190 1.00 0.67 C ATOM 842 O ALA A 58 0.732 -3.829 -8.904 1.00 0.66 O ATOM 843 CB ALA A 58 3.761 -3.507 -7.519 1.00 0.78 C ATOM 0 H ALA A 58 3.220 -4.794 -5.518 1.00 0.67 H new ATOM 0 HA ALA A 58 1.834 -2.788 -6.911 1.00 0.70 H new ATOM 0 HB1 ALA A 58 3.772 -2.935 -8.447 1.00 0.78 H new ATOM 0 HB2 ALA A 58 4.284 -2.949 -6.742 1.00 0.78 H new ATOM 0 HB3 ALA A 58 4.260 -4.463 -7.677 1.00 0.78 H new ATOM 849 N ALA A 59 1.668 -5.768 -8.331 1.00 0.67 N ATOM 850 CA ALA A 59 0.919 -6.518 -9.325 1.00 0.66 C ATOM 851 C ALA A 59 -0.561 -6.584 -8.955 1.00 0.60 C ATOM 852 O ALA A 59 -1.427 -6.598 -9.829 1.00 0.61 O ATOM 853 CB ALA A 59 1.492 -7.919 -9.448 1.00 0.70 C ATOM 0 H ALA A 59 2.307 -6.331 -7.769 1.00 0.67 H new ATOM 0 HA ALA A 59 1.006 -6.008 -10.284 1.00 0.66 H new ATOM 0 HB1 ALA A 59 0.928 -8.479 -10.194 1.00 0.70 H new ATOM 0 HB2 ALA A 59 2.537 -7.859 -9.753 1.00 0.70 H new ATOM 0 HB3 ALA A 59 1.423 -8.426 -8.486 1.00 0.70 H new ATOM 859 N ILE A 60 -0.862 -6.632 -7.654 1.00 0.58 N ATOM 860 CA ILE A 60 -2.241 -6.583 -7.188 1.00 0.54 C ATOM 861 C ILE A 60 -2.883 -5.299 -7.720 1.00 0.51 C ATOM 862 O ILE A 60 -3.900 -5.350 -8.416 1.00 0.50 O ATOM 863 CB ILE A 60 -2.320 -6.663 -5.653 1.00 0.57 C ATOM 864 CG1 ILE A 60 -1.480 -7.792 -5.044 1.00 0.74 C ATOM 865 CG2 ILE A 60 -3.755 -6.800 -5.157 1.00 0.48 C ATOM 866 CD1 ILE A 60 -1.843 -9.205 -5.498 1.00 0.70 C ATOM 0 H ILE A 60 -0.168 -6.705 -6.910 1.00 0.58 H new ATOM 0 HA ILE A 60 -2.787 -7.447 -7.566 1.00 0.54 H new ATOM 0 HB ILE A 60 -1.901 -5.715 -5.316 1.00 0.57 H new ATOM 0 HG12 ILE A 60 -0.432 -7.611 -5.284 1.00 0.74 H new ATOM 0 HG13 ILE A 60 -1.572 -7.744 -3.959 1.00 0.74 H new ATOM 0 HG21 ILE A 60 -3.760 -6.853 -4.068 1.00 0.48 H new ATOM 0 HG22 ILE A 60 -4.336 -5.937 -5.481 1.00 0.48 H new ATOM 0 HG23 ILE A 60 -4.196 -7.709 -5.566 1.00 0.48 H new ATOM 0 HD11 ILE A 60 -1.188 -9.925 -5.007 1.00 0.70 H new ATOM 0 HD12 ILE A 60 -2.879 -9.417 -5.233 1.00 0.70 H new ATOM 0 HD13 ILE A 60 -1.722 -9.282 -6.578 1.00 0.70 H new ATOM 878 N GLN A 61 -2.269 -4.145 -7.433 1.00 0.52 N ATOM 879 CA GLN A 61 -2.827 -2.882 -7.895 1.00 0.52 C ATOM 880 C GLN A 61 -2.877 -2.863 -9.425 1.00 0.53 C ATOM 881 O GLN A 61 -3.905 -2.497 -9.992 1.00 0.55 O ATOM 882 CB GLN A 61 -2.137 -1.671 -7.241 1.00 0.57 C ATOM 883 CG GLN A 61 -1.010 -1.048 -8.067 1.00 0.68 C ATOM 884 CD GLN A 61 -0.212 -0.053 -7.247 1.00 1.14 C ATOM 885 OE1 GLN A 61 0.833 -0.404 -6.708 1.00 2.12 O ATOM 886 NE2 GLN A 61 -0.702 1.173 -7.137 1.00 1.26 N ATOM 0 H GLN A 61 -1.406 -4.065 -6.895 1.00 0.52 H new ATOM 0 HA GLN A 61 -3.861 -2.793 -7.562 1.00 0.52 H new ATOM 0 HB2 GLN A 61 -2.888 -0.906 -7.043 1.00 0.57 H new ATOM 0 HB3 GLN A 61 -1.733 -1.978 -6.276 1.00 0.57 H new ATOM 0 HG2 GLN A 61 -0.349 -1.833 -8.435 1.00 0.68 H new ATOM 0 HG3 GLN A 61 -1.429 -0.549 -8.941 1.00 0.68 H new ATOM 0 HE21 GLN A 61 -1.575 1.417 -7.604 1.00 1.26 H new ATOM 0 HE22 GLN A 61 -0.206 1.873 -6.585 1.00 1.26 H new ATOM 895 N GLU A 62 -1.822 -3.355 -10.093 1.00 0.56 N ATOM 896 CA GLU A 62 -1.798 -3.436 -11.548 1.00 0.61 C ATOM 897 C GLU A 62 -3.032 -4.191 -12.055 1.00 0.59 C ATOM 898 O GLU A 62 -3.610 -3.824 -13.079 1.00 0.63 O ATOM 899 CB GLU A 62 -0.510 -4.145 -11.986 1.00 0.69 C ATOM 900 CG GLU A 62 -0.285 -4.197 -13.508 1.00 0.83 C ATOM 901 CD GLU A 62 0.175 -5.571 -13.966 1.00 1.41 C ATOM 902 OE1 GLU A 62 0.709 -6.360 -13.159 1.00 2.83 O ATOM 903 OE2 GLU A 62 -0.200 -5.943 -15.102 1.00 2.37 O ATOM 0 H GLU A 62 -0.976 -3.702 -9.640 1.00 0.56 H new ATOM 0 HA GLU A 62 -1.818 -2.433 -11.974 1.00 0.61 H new ATOM 0 HB2 GLU A 62 0.340 -3.642 -11.525 1.00 0.69 H new ATOM 0 HB3 GLU A 62 -0.524 -5.164 -11.600 1.00 0.69 H new ATOM 0 HG2 GLU A 62 -1.210 -3.934 -14.021 1.00 0.83 H new ATOM 0 HG3 GLU A 62 0.459 -3.452 -13.791 1.00 0.83 H new ATOM 910 N LYS A 63 -3.439 -5.267 -11.370 1.00 0.57 N ATOM 911 CA LYS A 63 -4.589 -6.037 -11.796 1.00 0.57 C ATOM 912 C LYS A 63 -5.862 -5.213 -11.606 1.00 0.55 C ATOM 913 O LYS A 63 -6.675 -5.158 -12.522 1.00 0.57 O ATOM 914 CB LYS A 63 -4.624 -7.391 -11.076 1.00 0.60 C ATOM 915 CG LYS A 63 -4.318 -8.602 -11.973 1.00 1.17 C ATOM 916 CD LYS A 63 -2.831 -8.786 -12.327 1.00 2.29 C ATOM 917 CE LYS A 63 -2.353 -7.887 -13.475 1.00 2.22 C ATOM 918 NZ LYS A 63 -0.955 -8.159 -13.869 1.00 3.71 N ATOM 0 H LYS A 63 -2.985 -5.614 -10.525 1.00 0.57 H new ATOM 0 HA LYS A 63 -4.515 -6.263 -12.860 1.00 0.57 H new ATOM 0 HB2 LYS A 63 -3.904 -7.371 -10.257 1.00 0.60 H new ATOM 0 HB3 LYS A 63 -5.610 -7.525 -10.631 1.00 0.60 H new ATOM 0 HG2 LYS A 63 -4.672 -9.504 -11.474 1.00 1.17 H new ATOM 0 HG3 LYS A 63 -4.887 -8.504 -12.897 1.00 1.17 H new ATOM 0 HD2 LYS A 63 -2.228 -8.581 -11.442 1.00 2.29 H new ATOM 0 HD3 LYS A 63 -2.657 -9.828 -12.597 1.00 2.29 H new ATOM 0 HE2 LYS A 63 -3.004 -8.030 -14.338 1.00 2.22 H new ATOM 0 HE3 LYS A 63 -2.445 -6.843 -13.176 1.00 2.22 H new ATOM 0 HZ1 LYS A 63 -0.748 -7.678 -14.767 1.00 3.71 H new ATOM 0 HZ2 LYS A 63 -0.312 -7.807 -13.131 1.00 3.71 H new ATOM 0 HZ3 LYS A 63 -0.820 -9.184 -13.986 1.00 3.71 H new ATOM 932 N ILE A 64 -6.044 -4.548 -10.461 1.00 0.53 N ATOM 933 CA ILE A 64 -7.195 -3.666 -10.263 1.00 0.51 C ATOM 934 C ILE A 64 -7.275 -2.656 -11.416 1.00 0.51 C ATOM 935 O ILE A 64 -8.333 -2.484 -12.026 1.00 0.55 O ATOM 936 CB ILE A 64 -7.113 -2.974 -8.887 1.00 0.47 C ATOM 937 CG1 ILE A 64 -7.151 -4.037 -7.771 1.00 0.51 C ATOM 938 CG2 ILE A 64 -8.279 -1.991 -8.719 1.00 0.50 C ATOM 939 CD1 ILE A 64 -6.932 -3.469 -6.367 1.00 0.61 C ATOM 0 H ILE A 64 -5.412 -4.604 -9.662 1.00 0.53 H new ATOM 0 HA ILE A 64 -8.113 -4.254 -10.270 1.00 0.51 H new ATOM 0 HB ILE A 64 -6.177 -2.418 -8.821 1.00 0.47 H new ATOM 0 HG12 ILE A 64 -8.114 -4.546 -7.800 1.00 0.51 H new ATOM 0 HG13 ILE A 64 -6.387 -4.788 -7.972 1.00 0.51 H new ATOM 0 HG21 ILE A 64 -8.211 -1.509 -7.744 1.00 0.50 H new ATOM 0 HG22 ILE A 64 -8.233 -1.234 -9.502 1.00 0.50 H new ATOM 0 HG23 ILE A 64 -9.223 -2.531 -8.791 1.00 0.50 H new ATOM 0 HD11 ILE A 64 -6.973 -4.277 -5.637 1.00 0.61 H new ATOM 0 HD12 ILE A 64 -5.957 -2.985 -6.318 1.00 0.61 H new ATOM 0 HD13 ILE A 64 -7.711 -2.739 -6.144 1.00 0.61 H new ATOM 951 N GLU A 65 -6.148 -2.020 -11.735 1.00 0.51 N ATOM 952 CA GLU A 65 -6.076 -1.075 -12.835 1.00 0.53 C ATOM 953 C GLU A 65 -6.484 -1.736 -14.153 1.00 0.60 C ATOM 954 O GLU A 65 -7.397 -1.263 -14.828 1.00 0.65 O ATOM 955 CB GLU A 65 -4.683 -0.440 -12.882 1.00 0.60 C ATOM 956 CG GLU A 65 -4.442 0.393 -11.614 1.00 0.59 C ATOM 957 CD GLU A 65 -3.088 1.085 -11.665 1.00 0.99 C ATOM 958 OE1 GLU A 65 -2.104 0.426 -11.265 1.00 2.44 O ATOM 959 OE2 GLU A 65 -3.063 2.249 -12.116 1.00 1.57 O ATOM 0 H GLU A 65 -5.267 -2.148 -11.238 1.00 0.51 H new ATOM 0 HA GLU A 65 -6.792 -0.269 -12.673 1.00 0.53 H new ATOM 0 HB2 GLU A 65 -3.923 -1.217 -12.967 1.00 0.60 H new ATOM 0 HB3 GLU A 65 -4.592 0.192 -13.765 1.00 0.60 H new ATOM 0 HG2 GLU A 65 -5.231 1.138 -11.508 1.00 0.59 H new ATOM 0 HG3 GLU A 65 -4.492 -0.251 -10.736 1.00 0.59 H new ATOM 966 N LYS A 66 -5.848 -2.853 -14.512 1.00 0.61 N ATOM 967 CA LYS A 66 -6.157 -3.576 -15.740 1.00 0.67 C ATOM 968 C LYS A 66 -7.621 -4.023 -15.818 1.00 0.68 C ATOM 969 O LYS A 66 -8.194 -4.024 -16.905 1.00 0.72 O ATOM 970 CB LYS A 66 -5.205 -4.758 -15.920 1.00 0.71 C ATOM 971 CG LYS A 66 -3.866 -4.270 -16.486 1.00 0.83 C ATOM 972 CD LYS A 66 -2.980 -5.486 -16.767 1.00 1.44 C ATOM 973 CE LYS A 66 -1.796 -5.162 -17.690 1.00 1.71 C ATOM 974 NZ LYS A 66 -0.811 -4.276 -17.042 1.00 2.19 N ATOM 0 H LYS A 66 -5.105 -3.279 -13.958 1.00 0.61 H new ATOM 0 HA LYS A 66 -6.010 -2.879 -16.565 1.00 0.67 H new ATOM 0 HB2 LYS A 66 -5.045 -5.256 -14.964 1.00 0.71 H new ATOM 0 HB3 LYS A 66 -5.647 -5.493 -16.592 1.00 0.71 H new ATOM 0 HG2 LYS A 66 -4.028 -3.701 -17.401 1.00 0.83 H new ATOM 0 HG3 LYS A 66 -3.377 -3.602 -15.777 1.00 0.83 H new ATOM 0 HD2 LYS A 66 -2.602 -5.879 -15.823 1.00 1.44 H new ATOM 0 HD3 LYS A 66 -3.584 -6.272 -17.221 1.00 1.44 H new ATOM 0 HE2 LYS A 66 -1.307 -6.089 -17.990 1.00 1.71 H new ATOM 0 HE3 LYS A 66 -2.165 -4.688 -18.599 1.00 1.71 H new ATOM 0 HZ1 LYS A 66 0.025 -4.180 -17.654 1.00 2.19 H new ATOM 0 HZ2 LYS A 66 -1.236 -3.340 -16.886 1.00 2.19 H new ATOM 0 HZ3 LYS A 66 -0.526 -4.683 -16.128 1.00 2.19 H new ATOM 988 N LEU A 67 -8.244 -4.396 -14.697 1.00 0.67 N ATOM 989 CA LEU A 67 -9.658 -4.717 -14.660 1.00 0.70 C ATOM 990 C LEU A 67 -10.547 -3.506 -14.975 1.00 0.73 C ATOM 991 O LEU A 67 -11.736 -3.689 -15.225 1.00 0.80 O ATOM 992 CB LEU A 67 -9.962 -5.358 -13.300 1.00 0.70 C ATOM 993 CG LEU A 67 -9.807 -6.889 -13.285 1.00 0.82 C ATOM 994 CD1 LEU A 67 -11.047 -7.549 -13.898 1.00 1.71 C ATOM 995 CD2 LEU A 67 -8.551 -7.460 -13.960 1.00 2.59 C ATOM 0 H LEU A 67 -7.776 -4.481 -13.795 1.00 0.67 H new ATOM 0 HA LEU A 67 -9.896 -5.430 -15.449 1.00 0.70 H new ATOM 0 HB2 LEU A 67 -9.298 -4.928 -12.550 1.00 0.70 H new ATOM 0 HB3 LEU A 67 -10.981 -5.103 -13.008 1.00 0.70 H new ATOM 0 HG LEU A 67 -9.692 -7.129 -12.228 1.00 0.82 H new ATOM 0 HD11 LEU A 67 -10.928 -8.632 -13.883 1.00 1.71 H new ATOM 0 HD12 LEU A 67 -11.929 -7.273 -13.320 1.00 1.71 H new ATOM 0 HD13 LEU A 67 -11.167 -7.212 -14.927 1.00 1.71 H new ATOM 0 HD21 LEU A 67 -8.559 -8.547 -13.882 1.00 2.59 H new ATOM 0 HD22 LEU A 67 -8.540 -7.171 -15.011 1.00 2.59 H new ATOM 0 HD23 LEU A 67 -7.662 -7.067 -13.466 1.00 2.59 H new ATOM 1007 N GLY A 68 -9.987 -2.293 -15.009 1.00 0.70 N ATOM 1008 CA GLY A 68 -10.681 -1.087 -15.431 1.00 0.72 C ATOM 1009 C GLY A 68 -11.236 -0.343 -14.224 1.00 0.67 C ATOM 1010 O GLY A 68 -12.363 0.147 -14.257 1.00 0.78 O ATOM 0 H GLY A 68 -9.018 -2.126 -14.737 1.00 0.70 H new ATOM 0 HA2 GLY A 68 -9.998 -0.441 -15.982 1.00 0.72 H new ATOM 0 HA3 GLY A 68 -11.493 -1.346 -16.111 1.00 0.72 H new ATOM 1014 N TYR A 69 -10.437 -0.265 -13.158 1.00 0.56 N ATOM 1015 CA TYR A 69 -10.778 0.427 -11.921 1.00 0.53 C ATOM 1016 C TYR A 69 -9.603 1.301 -11.491 1.00 0.53 C ATOM 1017 O TYR A 69 -8.562 1.299 -12.142 1.00 0.57 O ATOM 1018 CB TYR A 69 -11.158 -0.608 -10.856 1.00 0.53 C ATOM 1019 CG TYR A 69 -12.358 -1.436 -11.259 1.00 0.56 C ATOM 1020 CD1 TYR A 69 -13.655 -0.933 -11.057 1.00 1.80 C ATOM 1021 CD2 TYR A 69 -12.179 -2.625 -11.986 1.00 1.97 C ATOM 1022 CE1 TYR A 69 -14.764 -1.594 -11.608 1.00 1.90 C ATOM 1023 CE2 TYR A 69 -13.292 -3.300 -12.520 1.00 1.98 C ATOM 1024 CZ TYR A 69 -14.580 -2.773 -12.344 1.00 0.87 C ATOM 1025 OH TYR A 69 -15.656 -3.396 -12.901 1.00 1.12 O ATOM 0 H TYR A 69 -9.512 -0.694 -13.134 1.00 0.56 H new ATOM 0 HA TYR A 69 -11.637 1.083 -12.066 1.00 0.53 H new ATOM 0 HB2 TYR A 69 -10.309 -1.267 -10.675 1.00 0.53 H new ATOM 0 HB3 TYR A 69 -11.371 -0.098 -9.917 1.00 0.53 H new ATOM 0 HD1 TYR A 69 -13.799 -0.034 -10.476 1.00 1.80 H new ATOM 0 HD2 TYR A 69 -11.186 -3.021 -12.135 1.00 1.97 H new ATOM 0 HE1 TYR A 69 -15.757 -1.195 -11.465 1.00 1.90 H new ATOM 0 HE2 TYR A 69 -13.155 -4.223 -13.065 1.00 1.98 H new ATOM 0 HH TYR A 69 -16.481 -3.022 -12.527 1.00 1.12 H new ATOM 1035 N HIS A 70 -9.771 2.065 -10.411 1.00 0.52 N ATOM 1036 CA HIS A 70 -8.718 2.893 -9.843 1.00 0.54 C ATOM 1037 C HIS A 70 -8.728 2.714 -8.331 1.00 0.57 C ATOM 1038 O HIS A 70 -9.797 2.660 -7.726 1.00 0.59 O ATOM 1039 CB HIS A 70 -8.937 4.362 -10.223 1.00 0.60 C ATOM 1040 CG HIS A 70 -8.478 4.706 -11.620 1.00 0.88 C ATOM 1041 ND1 HIS A 70 -9.207 5.395 -12.564 1.00 2.29 N ATOM 1042 CD2 HIS A 70 -7.233 4.478 -12.148 1.00 1.72 C ATOM 1043 CE1 HIS A 70 -8.417 5.569 -13.638 1.00 2.28 C ATOM 1044 NE2 HIS A 70 -7.205 5.031 -13.432 1.00 1.68 N ATOM 0 H HIS A 70 -10.654 2.124 -9.904 1.00 0.52 H new ATOM 0 HA HIS A 70 -7.748 2.591 -10.237 1.00 0.54 H new ATOM 0 HB2 HIS A 70 -9.997 4.597 -10.131 1.00 0.60 H new ATOM 0 HB3 HIS A 70 -8.407 4.995 -9.511 1.00 0.60 H new ATOM 0 HD2 HIS A 70 -6.419 3.963 -11.659 1.00 1.72 H new ATOM 0 HE1 HIS A 70 -8.717 6.074 -14.544 1.00 2.28 H new ATOM 0 HE2 HIS A 70 -6.420 5.026 -14.083 1.00 1.68 H new ATOM 1052 N VAL A 71 -7.540 2.608 -7.735 1.00 0.67 N ATOM 1053 CA VAL A 71 -7.359 2.504 -6.299 1.00 0.68 C ATOM 1054 C VAL A 71 -7.373 3.912 -5.701 1.00 0.70 C ATOM 1055 O VAL A 71 -6.845 4.850 -6.298 1.00 0.71 O ATOM 1056 CB VAL A 71 -6.070 1.721 -5.984 1.00 0.65 C ATOM 1057 CG1 VAL A 71 -6.208 0.263 -6.436 1.00 0.70 C ATOM 1058 CG2 VAL A 71 -4.802 2.325 -6.607 1.00 0.62 C ATOM 0 H VAL A 71 -6.662 2.592 -8.254 1.00 0.67 H new ATOM 0 HA VAL A 71 -8.174 1.943 -5.842 1.00 0.68 H new ATOM 0 HB VAL A 71 -5.949 1.781 -4.902 1.00 0.65 H new ATOM 0 HG11 VAL A 71 -5.290 -0.277 -6.207 1.00 0.70 H new ATOM 0 HG12 VAL A 71 -7.043 -0.203 -5.913 1.00 0.70 H new ATOM 0 HG13 VAL A 71 -6.390 0.231 -7.510 1.00 0.70 H new ATOM 0 HG21 VAL A 71 -3.939 1.716 -6.338 1.00 0.62 H new ATOM 0 HG22 VAL A 71 -4.906 2.349 -7.692 1.00 0.62 H new ATOM 0 HG23 VAL A 71 -4.661 3.339 -6.233 1.00 0.62 H new ATOM 1068 N VAL A 72 -7.986 4.073 -4.527 1.00 0.76 N ATOM 1069 CA VAL A 72 -7.962 5.333 -3.807 1.00 0.84 C ATOM 1070 C VAL A 72 -6.637 5.320 -3.058 1.00 0.96 C ATOM 1071 O VAL A 72 -6.534 4.763 -1.965 1.00 1.56 O ATOM 1072 CB VAL A 72 -9.156 5.419 -2.844 1.00 0.95 C ATOM 1073 CG1 VAL A 72 -9.134 6.736 -2.054 1.00 1.11 C ATOM 1074 CG2 VAL A 72 -10.499 5.307 -3.571 1.00 0.95 C ATOM 0 H VAL A 72 -8.508 3.334 -4.056 1.00 0.76 H new ATOM 0 HA VAL A 72 -8.043 6.199 -4.464 1.00 0.84 H new ATOM 0 HB VAL A 72 -9.057 4.574 -2.163 1.00 0.95 H new ATOM 0 HG11 VAL A 72 -9.990 6.770 -1.380 1.00 1.11 H new ATOM 0 HG12 VAL A 72 -8.213 6.797 -1.474 1.00 1.11 H new ATOM 0 HG13 VAL A 72 -9.183 7.576 -2.746 1.00 1.11 H new ATOM 0 HG21 VAL A 72 -11.311 5.373 -2.847 1.00 0.95 H new ATOM 0 HG22 VAL A 72 -10.590 6.118 -4.294 1.00 0.95 H new ATOM 0 HG23 VAL A 72 -10.553 4.350 -4.090 1.00 0.95 H new ATOM 1084 N THR A 73 -5.580 5.823 -3.692 1.00 0.62 N ATOM 1085 CA THR A 73 -4.245 5.707 -3.144 1.00 0.64 C ATOM 1086 C THR A 73 -3.384 6.837 -3.695 1.00 0.69 C ATOM 1087 O THR A 73 -3.514 7.165 -4.872 1.00 0.75 O ATOM 1088 CB THR A 73 -3.668 4.313 -3.450 1.00 0.66 C ATOM 1089 OG1 THR A 73 -4.669 3.315 -3.473 1.00 0.77 O ATOM 1090 CG2 THR A 73 -2.723 3.936 -2.322 1.00 0.78 C ATOM 0 H THR A 73 -5.630 6.313 -4.585 1.00 0.62 H new ATOM 0 HA THR A 73 -4.266 5.804 -2.059 1.00 0.64 H new ATOM 0 HB THR A 73 -3.183 4.364 -4.425 1.00 0.66 H new ATOM 0 HG1 THR A 73 -4.479 2.645 -2.783 1.00 0.77 H new ATOM 0 HG21 THR A 73 -2.300 2.950 -2.516 1.00 0.78 H new ATOM 0 HG22 THR A 73 -1.919 4.670 -2.260 1.00 0.78 H new ATOM 0 HG23 THR A 73 -3.270 3.917 -1.380 1.00 0.78 H new ATOM 1098 N GLU A 74 -2.552 7.451 -2.844 1.00 0.73 N ATOM 1099 CA GLU A 74 -1.808 8.655 -3.178 1.00 0.79 C ATOM 1100 C GLU A 74 -0.333 8.454 -2.863 1.00 0.68 C ATOM 1101 O GLU A 74 0.010 7.836 -1.853 1.00 0.68 O ATOM 1102 CB GLU A 74 -2.360 9.850 -2.387 1.00 0.93 C ATOM 1103 CG GLU A 74 -3.718 10.323 -2.926 1.00 1.44 C ATOM 1104 CD GLU A 74 -3.627 10.955 -4.315 1.00 2.36 C ATOM 1105 OE1 GLU A 74 -2.486 11.199 -4.770 1.00 2.90 O ATOM 1106 OE2 GLU A 74 -4.710 11.199 -4.887 1.00 3.27 O ATOM 0 H GLU A 74 -2.380 7.116 -1.896 1.00 0.73 H new ATOM 0 HA GLU A 74 -1.918 8.859 -4.243 1.00 0.79 H new ATOM 0 HB2 GLU A 74 -2.464 9.573 -1.338 1.00 0.93 H new ATOM 0 HB3 GLU A 74 -1.647 10.673 -2.430 1.00 0.93 H new ATOM 0 HG2 GLU A 74 -4.402 9.475 -2.964 1.00 1.44 H new ATOM 0 HG3 GLU A 74 -4.145 11.047 -2.232 1.00 1.44 H new ATOM 1113 N LYS A 75 0.516 8.997 -3.740 1.00 0.66 N ATOM 1114 CA LYS A 75 1.963 9.020 -3.598 1.00 0.62 C ATOM 1115 C LYS A 75 2.360 10.256 -2.793 1.00 0.65 C ATOM 1116 O LYS A 75 2.654 11.311 -3.350 1.00 0.75 O ATOM 1117 CB LYS A 75 2.649 8.859 -4.964 1.00 0.72 C ATOM 1118 CG LYS A 75 2.435 10.019 -5.938 1.00 0.85 C ATOM 1119 CD LYS A 75 2.841 9.600 -7.353 1.00 1.02 C ATOM 1120 CE LYS A 75 2.780 10.813 -8.291 1.00 1.88 C ATOM 1121 NZ LYS A 75 3.156 10.459 -9.673 1.00 2.62 N ATOM 0 H LYS A 75 0.196 9.447 -4.598 1.00 0.66 H new ATOM 0 HA LYS A 75 2.322 8.164 -3.027 1.00 0.62 H new ATOM 0 HB2 LYS A 75 3.720 8.733 -4.803 1.00 0.72 H new ATOM 0 HB3 LYS A 75 2.287 7.942 -5.429 1.00 0.72 H new ATOM 0 HG2 LYS A 75 1.389 10.325 -5.927 1.00 0.85 H new ATOM 0 HG3 LYS A 75 3.023 10.881 -5.623 1.00 0.85 H new ATOM 0 HD2 LYS A 75 3.849 9.186 -7.344 1.00 1.02 H new ATOM 0 HD3 LYS A 75 2.177 8.815 -7.715 1.00 1.02 H new ATOM 0 HE2 LYS A 75 1.772 11.227 -8.284 1.00 1.88 H new ATOM 0 HE3 LYS A 75 3.447 11.592 -7.921 1.00 1.88 H new ATOM 0 HZ1 LYS A 75 3.102 11.305 -10.275 1.00 2.62 H new ATOM 0 HZ2 LYS A 75 4.127 10.087 -9.684 1.00 2.62 H new ATOM 0 HZ3 LYS A 75 2.504 9.734 -10.035 1.00 2.62 H new ATOM 1135 N ALA A 76 2.331 10.132 -1.468 1.00 0.66 N ATOM 1136 CA ALA A 76 2.738 11.224 -0.586 1.00 0.73 C ATOM 1137 C ALA A 76 4.257 11.186 -0.410 1.00 0.64 C ATOM 1138 O ALA A 76 4.857 10.132 -0.620 1.00 0.59 O ATOM 1139 CB ALA A 76 2.005 11.097 0.747 1.00 0.81 C ATOM 0 H ALA A 76 2.030 9.287 -0.982 1.00 0.66 H new ATOM 0 HA ALA A 76 2.474 12.188 -1.020 1.00 0.73 H new ATOM 0 HB1 ALA A 76 2.307 11.910 1.407 1.00 0.81 H new ATOM 0 HB2 ALA A 76 0.930 11.147 0.577 1.00 0.81 H new ATOM 0 HB3 ALA A 76 2.255 10.142 1.210 1.00 0.81 H new ATOM 1145 N GLU A 77 4.886 12.305 -0.034 1.00 0.81 N ATOM 1146 CA GLU A 77 6.332 12.404 0.120 1.00 0.71 C ATOM 1147 C GLU A 77 6.661 12.860 1.538 1.00 0.66 C ATOM 1148 O GLU A 77 6.174 13.898 1.995 1.00 0.81 O ATOM 1149 CB GLU A 77 6.924 13.377 -0.907 1.00 0.84 C ATOM 1150 CG GLU A 77 6.847 12.837 -2.342 1.00 1.10 C ATOM 1151 CD GLU A 77 7.526 13.767 -3.345 1.00 1.75 C ATOM 1152 OE1 GLU A 77 8.328 14.616 -2.893 1.00 2.48 O ATOM 1153 OE2 GLU A 77 7.233 13.609 -4.550 1.00 3.05 O ATOM 0 H GLU A 77 4.395 13.175 0.173 1.00 0.81 H new ATOM 0 HA GLU A 77 6.774 11.423 -0.055 1.00 0.71 H new ATOM 0 HB2 GLU A 77 6.392 14.327 -0.851 1.00 0.84 H new ATOM 0 HB3 GLU A 77 7.965 13.579 -0.654 1.00 0.84 H new ATOM 0 HG2 GLU A 77 7.317 11.854 -2.384 1.00 1.10 H new ATOM 0 HG3 GLU A 77 5.802 12.703 -2.623 1.00 1.10 H new ATOM 1160 N PHE A 78 7.525 12.100 2.216 1.00 0.52 N ATOM 1161 CA PHE A 78 8.039 12.459 3.526 1.00 0.47 C ATOM 1162 C PHE A 78 9.561 12.469 3.469 1.00 0.39 C ATOM 1163 O PHE A 78 10.176 11.589 2.876 1.00 0.61 O ATOM 1164 CB PHE A 78 7.511 11.501 4.596 1.00 0.61 C ATOM 1165 CG PHE A 78 6.007 11.566 4.759 1.00 0.48 C ATOM 1166 CD1 PHE A 78 5.429 12.608 5.506 1.00 1.72 C ATOM 1167 CD2 PHE A 78 5.187 10.743 3.967 1.00 1.45 C ATOM 1168 CE1 PHE A 78 4.069 12.919 5.341 1.00 1.73 C ATOM 1169 CE2 PHE A 78 3.811 11.005 3.871 1.00 1.57 C ATOM 1170 CZ PHE A 78 3.264 12.124 4.512 1.00 0.84 C ATOM 0 H PHE A 78 7.886 11.214 1.863 1.00 0.52 H new ATOM 0 HA PHE A 78 7.694 13.455 3.802 1.00 0.47 H new ATOM 0 HB2 PHE A 78 7.799 10.482 4.337 1.00 0.61 H new ATOM 0 HB3 PHE A 78 7.985 11.734 5.550 1.00 0.61 H new ATOM 0 HD1 PHE A 78 6.030 13.169 6.206 1.00 1.72 H new ATOM 0 HD2 PHE A 78 5.616 9.909 3.432 1.00 1.45 H new ATOM 0 HE1 PHE A 78 3.643 13.770 5.852 1.00 1.73 H new ATOM 0 HE2 PHE A 78 3.174 10.343 3.303 1.00 1.57 H new ATOM 0 HZ PHE A 78 2.223 12.374 4.368 1.00 0.84 H new ATOM 1180 N ASP A 79 10.161 13.488 4.071 1.00 0.40 N ATOM 1181 CA ASP A 79 11.592 13.692 4.201 1.00 0.44 C ATOM 1182 C ASP A 79 12.061 12.984 5.469 1.00 0.50 C ATOM 1183 O ASP A 79 11.287 12.896 6.418 1.00 0.62 O ATOM 1184 CB ASP A 79 11.789 15.209 4.216 1.00 0.55 C ATOM 1185 CG ASP A 79 13.146 15.711 4.672 1.00 0.70 C ATOM 1186 OD1 ASP A 79 13.536 15.407 5.814 1.00 1.81 O ATOM 1187 OD2 ASP A 79 13.672 16.543 3.898 1.00 2.30 O ATOM 0 H ASP A 79 9.625 14.238 4.507 1.00 0.40 H new ATOM 0 HA ASP A 79 12.187 13.273 3.389 1.00 0.44 H new ATOM 0 HB2 ASP A 79 11.606 15.587 3.210 1.00 0.55 H new ATOM 0 HB3 ASP A 79 11.029 15.645 4.864 1.00 0.55 H new ATOM 1192 N ILE A 80 13.248 12.379 5.466 1.00 0.51 N ATOM 1193 CA ILE A 80 13.669 11.480 6.534 1.00 0.54 C ATOM 1194 C ILE A 80 14.937 12.008 7.188 1.00 0.64 C ATOM 1195 O ILE A 80 15.905 12.286 6.482 1.00 0.76 O ATOM 1196 CB ILE A 80 13.930 10.092 5.941 1.00 0.55 C ATOM 1197 CG1 ILE A 80 12.991 9.850 4.752 1.00 0.68 C ATOM 1198 CG2 ILE A 80 13.845 9.017 7.033 1.00 0.65 C ATOM 1199 CD1 ILE A 80 13.113 8.447 4.219 1.00 0.63 C ATOM 0 H ILE A 80 13.940 12.499 4.726 1.00 0.51 H new ATOM 0 HA ILE A 80 12.886 11.417 7.289 1.00 0.54 H new ATOM 0 HB ILE A 80 14.945 10.034 5.549 1.00 0.55 H new ATOM 0 HG12 ILE A 80 11.961 10.034 5.059 1.00 0.68 H new ATOM 0 HG13 ILE A 80 13.219 10.561 3.958 1.00 0.68 H new ATOM 0 HG21 ILE A 80 14.033 8.037 6.594 1.00 0.65 H new ATOM 0 HG22 ILE A 80 14.591 9.220 7.802 1.00 0.65 H new ATOM 0 HG23 ILE A 80 12.851 9.030 7.480 1.00 0.65 H new ATOM 0 HD11 ILE A 80 12.432 8.317 3.378 1.00 0.63 H new ATOM 0 HD12 ILE A 80 14.136 8.271 3.887 1.00 0.63 H new ATOM 0 HD13 ILE A 80 12.859 7.736 5.005 1.00 0.63 H new ATOM 1211 N GLU A 81 14.968 12.087 8.524 1.00 0.70 N ATOM 1212 CA GLU A 81 16.172 12.540 9.215 1.00 0.88 C ATOM 1213 C GLU A 81 16.932 11.352 9.797 1.00 1.32 C ATOM 1214 O GLU A 81 16.334 10.435 10.360 1.00 1.96 O ATOM 1215 CB GLU A 81 15.871 13.595 10.289 1.00 0.93 C ATOM 1216 CG GLU A 81 14.705 14.518 9.912 1.00 1.32 C ATOM 1217 CD GLU A 81 14.497 15.635 10.932 1.00 1.36 C ATOM 1218 OE1 GLU A 81 14.847 15.392 12.110 1.00 2.00 O ATOM 1219 OE2 GLU A 81 13.968 16.699 10.547 1.00 2.15 O ATOM 0 H GLU A 81 14.187 11.847 9.135 1.00 0.70 H new ATOM 0 HA GLU A 81 16.807 13.028 8.476 1.00 0.88 H new ATOM 0 HB2 GLU A 81 15.641 13.093 11.229 1.00 0.93 H new ATOM 0 HB3 GLU A 81 16.763 14.197 10.459 1.00 0.93 H new ATOM 0 HG2 GLU A 81 14.893 14.955 8.931 1.00 1.32 H new ATOM 0 HG3 GLU A 81 13.791 13.930 9.829 1.00 1.32 H new ATOM 1226 N GLY A 82 18.259 11.395 9.677 1.00 1.84 N ATOM 1227 CA GLY A 82 19.175 10.417 10.223 1.00 2.41 C ATOM 1228 C GLY A 82 19.775 9.595 9.092 1.00 2.39 C ATOM 1229 O GLY A 82 20.878 9.890 8.645 1.00 3.63 O ATOM 0 H GLY A 82 18.735 12.145 9.176 1.00 1.84 H new ATOM 0 HA2 GLY A 82 19.966 10.917 10.783 1.00 2.41 H new ATOM 0 HA3 GLY A 82 18.652 9.765 10.923 1.00 2.41 H new ATOM 1233 N MET A 83 19.053 8.550 8.668 1.00 1.28 N ATOM 1234 CA MET A 83 19.524 7.500 7.766 1.00 1.14 C ATOM 1235 C MET A 83 21.028 7.220 7.878 1.00 1.40 C ATOM 1236 O MET A 83 21.748 7.186 6.883 1.00 2.64 O ATOM 1237 CB MET A 83 19.082 7.768 6.325 1.00 1.44 C ATOM 1238 CG MET A 83 17.562 7.668 6.192 1.00 1.28 C ATOM 1239 SD MET A 83 16.927 8.160 4.580 1.00 2.29 S ATOM 1240 CE MET A 83 17.439 9.887 4.609 1.00 3.15 C ATOM 0 H MET A 83 18.085 8.410 8.958 1.00 1.28 H new ATOM 0 HA MET A 83 19.044 6.577 8.092 1.00 1.14 H new ATOM 0 HB2 MET A 83 19.413 8.760 6.017 1.00 1.44 H new ATOM 0 HB3 MET A 83 19.557 7.051 5.655 1.00 1.44 H new ATOM 0 HG2 MET A 83 17.258 6.640 6.391 1.00 1.28 H new ATOM 0 HG3 MET A 83 17.100 8.291 6.958 1.00 1.28 H new ATOM 0 HE1 MET A 83 16.645 10.509 4.195 1.00 3.15 H new ATOM 0 HE2 MET A 83 17.638 10.190 5.637 1.00 3.15 H new ATOM 0 HE3 MET A 83 18.344 10.008 4.013 1.00 3.15 H new ATOM 1285 N ALA A 87 20.890 -0.084 8.552 1.00 2.18 N ATOM 1286 CA ALA A 87 20.121 0.099 7.335 1.00 1.10 C ATOM 1287 C ALA A 87 18.784 0.750 7.690 1.00 0.83 C ATOM 1288 O ALA A 87 17.756 0.069 7.712 1.00 0.92 O ATOM 1289 CB ALA A 87 19.986 -1.252 6.619 1.00 1.57 C ATOM 0 HA ALA A 87 20.621 0.770 6.636 1.00 1.10 H new ATOM 0 HB1 ALA A 87 19.409 -1.122 5.703 1.00 1.57 H new ATOM 0 HB2 ALA A 87 20.977 -1.634 6.373 1.00 1.57 H new ATOM 0 HB3 ALA A 87 19.476 -1.960 7.272 1.00 1.57 H new ATOM 1295 N CYS A 88 18.774 2.045 8.042 1.00 0.65 N ATOM 1296 CA CYS A 88 17.537 2.714 8.432 1.00 0.54 C ATOM 1297 C CYS A 88 16.567 2.700 7.260 1.00 0.54 C ATOM 1298 O CYS A 88 15.468 2.163 7.354 1.00 0.57 O ATOM 1299 CB CYS A 88 17.798 4.172 8.814 1.00 0.76 C ATOM 1300 SG CYS A 88 18.873 4.316 10.251 1.00 0.94 S ATOM 0 H CYS A 88 19.603 2.639 8.063 1.00 0.65 H new ATOM 0 HA CYS A 88 17.122 2.185 9.290 1.00 0.54 H new ATOM 0 HB2 CYS A 88 18.251 4.692 7.970 1.00 0.76 H new ATOM 0 HB3 CYS A 88 16.849 4.667 9.021 1.00 0.76 H new ATOM 0 HG CYS A 88 18.161 4.232 11.336 1.00 0.94 H new ATOM 1306 N ALA A 89 17.012 3.288 6.147 1.00 0.60 N ATOM 1307 CA ALA A 89 16.281 3.440 4.903 1.00 0.69 C ATOM 1308 C ALA A 89 15.754 2.086 4.440 1.00 0.62 C ATOM 1309 O ALA A 89 14.601 1.950 4.052 1.00 0.61 O ATOM 1310 CB ALA A 89 17.256 4.046 3.888 1.00 0.94 C ATOM 0 H ALA A 89 17.947 3.692 6.095 1.00 0.60 H new ATOM 0 HA ALA A 89 15.415 4.091 5.021 1.00 0.69 H new ATOM 0 HB1 ALA A 89 16.750 4.180 2.932 1.00 0.94 H new ATOM 0 HB2 ALA A 89 17.606 5.012 4.252 1.00 0.94 H new ATOM 0 HB3 ALA A 89 18.107 3.378 3.757 1.00 0.94 H new ATOM 1316 N ASN A 90 16.589 1.054 4.519 1.00 0.63 N ATOM 1317 CA ASN A 90 16.187 -0.271 4.072 1.00 0.65 C ATOM 1318 C ASN A 90 15.082 -0.795 4.992 1.00 0.58 C ATOM 1319 O ASN A 90 14.080 -1.341 4.534 1.00 0.60 O ATOM 1320 CB ASN A 90 17.372 -1.241 4.040 1.00 0.79 C ATOM 1321 CG ASN A 90 18.524 -0.793 3.135 1.00 1.04 C ATOM 1322 OD1 ASN A 90 18.668 0.381 2.813 1.00 2.04 O ATOM 1323 ND2 ASN A 90 19.389 -1.723 2.745 1.00 1.52 N ATOM 0 H ASN A 90 17.539 1.111 4.885 1.00 0.63 H new ATOM 0 HA ASN A 90 15.810 -0.196 3.052 1.00 0.65 H new ATOM 0 HB2 ASN A 90 17.750 -1.369 5.054 1.00 0.79 H new ATOM 0 HB3 ASN A 90 17.020 -2.217 3.705 1.00 0.79 H new ATOM 0 HD21 ASN A 90 20.189 -1.465 2.168 1.00 1.52 H new ATOM 0 HD22 ASN A 90 19.253 -2.695 3.023 1.00 1.52 H new ATOM 1330 N ARG A 91 15.249 -0.613 6.306 1.00 0.57 N ATOM 1331 CA ARG A 91 14.201 -0.965 7.254 1.00 0.61 C ATOM 1332 C ARG A 91 12.900 -0.231 6.922 1.00 0.63 C ATOM 1333 O ARG A 91 11.860 -0.872 6.790 1.00 0.69 O ATOM 1334 CB ARG A 91 14.643 -0.701 8.701 1.00 0.70 C ATOM 1335 CG ARG A 91 15.074 -1.986 9.418 1.00 1.00 C ATOM 1336 CD ARG A 91 16.202 -2.741 8.689 1.00 2.16 C ATOM 1337 NE ARG A 91 17.203 -3.262 9.632 1.00 2.35 N ATOM 1338 CZ ARG A 91 18.020 -2.491 10.370 1.00 3.38 C ATOM 1339 NH1 ARG A 91 18.071 -1.172 10.147 1.00 4.55 N ATOM 1340 NH2 ARG A 91 18.763 -3.041 11.337 1.00 4.10 N ATOM 0 H ARG A 91 16.093 -0.227 6.729 1.00 0.57 H new ATOM 0 HA ARG A 91 14.013 -2.035 7.165 1.00 0.61 H new ATOM 0 HB2 ARG A 91 15.470 0.009 8.703 1.00 0.70 H new ATOM 0 HB3 ARG A 91 13.824 -0.237 9.251 1.00 0.70 H new ATOM 0 HG2 ARG A 91 15.405 -1.738 10.426 1.00 1.00 H new ATOM 0 HG3 ARG A 91 14.211 -2.645 9.519 1.00 1.00 H new ATOM 0 HD2 ARG A 91 15.777 -3.565 8.116 1.00 2.16 H new ATOM 0 HD3 ARG A 91 16.686 -2.073 7.976 1.00 2.16 H new ATOM 0 HE ARG A 91 17.282 -4.274 9.733 1.00 2.35 H new ATOM 0 HH11 ARG A 91 17.491 -0.755 9.419 1.00 4.55 H new ATOM 0 HH12 ARG A 91 18.690 -0.584 10.705 1.00 4.55 H new ATOM 0 HH21 ARG A 91 18.709 -4.044 11.513 1.00 4.10 H new ATOM 0 HH22 ARG A 91 19.383 -2.457 11.898 1.00 4.10 H new ATOM 1354 N ILE A 92 12.933 1.098 6.780 1.00 0.66 N ATOM 1355 CA ILE A 92 11.711 1.838 6.477 1.00 0.76 C ATOM 1356 C ILE A 92 11.125 1.430 5.125 1.00 0.78 C ATOM 1357 O ILE A 92 9.910 1.350 5.003 1.00 0.87 O ATOM 1358 CB ILE A 92 11.835 3.355 6.659 1.00 0.85 C ATOM 1359 CG1 ILE A 92 13.031 3.971 5.958 1.00 1.58 C ATOM 1360 CG2 ILE A 92 11.835 3.699 8.152 1.00 1.58 C ATOM 1361 CD1 ILE A 92 12.796 5.447 5.682 1.00 1.72 C ATOM 0 H ILE A 92 13.773 1.670 6.868 1.00 0.66 H new ATOM 0 HA ILE A 92 10.985 1.544 7.235 1.00 0.76 H new ATOM 0 HB ILE A 92 10.964 3.797 6.175 1.00 0.85 H new ATOM 0 HG12 ILE A 92 13.922 3.849 6.575 1.00 1.58 H new ATOM 0 HG13 ILE A 92 13.218 3.447 5.021 1.00 1.58 H new ATOM 0 HG21 ILE A 92 11.923 4.778 8.277 1.00 1.58 H new ATOM 0 HG22 ILE A 92 10.904 3.356 8.604 1.00 1.58 H new ATOM 0 HG23 ILE A 92 12.677 3.207 8.639 1.00 1.58 H new ATOM 0 HD11 ILE A 92 13.667 5.866 5.179 1.00 1.72 H new ATOM 0 HD12 ILE A 92 11.919 5.563 5.046 1.00 1.72 H new ATOM 0 HD13 ILE A 92 12.633 5.972 6.623 1.00 1.72 H new ATOM 1373 N GLU A 93 11.962 1.108 4.138 1.00 0.72 N ATOM 1374 CA GLU A 93 11.537 0.634 2.838 1.00 0.78 C ATOM 1375 C GLU A 93 10.691 -0.620 3.030 1.00 0.76 C ATOM 1376 O GLU A 93 9.559 -0.672 2.554 1.00 0.98 O ATOM 1377 CB GLU A 93 12.783 0.357 1.986 1.00 0.79 C ATOM 1378 CG GLU A 93 12.453 -0.038 0.545 1.00 0.95 C ATOM 1379 CD GLU A 93 13.259 -1.251 0.105 1.00 1.33 C ATOM 1380 OE1 GLU A 93 14.459 -1.350 0.451 1.00 2.48 O ATOM 1381 OE2 GLU A 93 12.659 -2.191 -0.461 1.00 1.97 O ATOM 0 H GLU A 93 12.976 1.174 4.231 1.00 0.72 H new ATOM 0 HA GLU A 93 10.930 1.378 2.322 1.00 0.78 H new ATOM 0 HB2 GLU A 93 13.414 1.246 1.977 1.00 0.79 H new ATOM 0 HB3 GLU A 93 13.363 -0.440 2.451 1.00 0.79 H new ATOM 0 HG2 GLU A 93 11.388 -0.256 0.460 1.00 0.95 H new ATOM 0 HG3 GLU A 93 12.661 0.800 -0.120 1.00 0.95 H new ATOM 1388 N LYS A 94 11.240 -1.617 3.737 1.00 0.60 N ATOM 1389 CA LYS A 94 10.579 -2.893 3.991 1.00 0.57 C ATOM 1390 C LYS A 94 9.379 -2.746 4.933 1.00 0.54 C ATOM 1391 O LYS A 94 8.422 -3.510 4.815 1.00 0.57 O ATOM 1392 CB LYS A 94 11.586 -3.921 4.537 1.00 0.62 C ATOM 1393 CG LYS A 94 12.284 -4.733 3.434 1.00 0.82 C ATOM 1394 CD LYS A 94 13.126 -3.870 2.485 1.00 1.26 C ATOM 1395 CE LYS A 94 13.810 -4.732 1.412 1.00 1.91 C ATOM 1396 NZ LYS A 94 14.459 -3.902 0.375 1.00 3.19 N ATOM 0 H LYS A 94 12.169 -1.553 4.152 1.00 0.60 H new ATOM 0 HA LYS A 94 10.191 -3.255 3.039 1.00 0.57 H new ATOM 0 HB2 LYS A 94 12.340 -3.402 5.129 1.00 0.62 H new ATOM 0 HB3 LYS A 94 11.068 -4.605 5.210 1.00 0.62 H new ATOM 0 HG2 LYS A 94 12.925 -5.484 3.896 1.00 0.82 H new ATOM 0 HG3 LYS A 94 11.531 -5.269 2.855 1.00 0.82 H new ATOM 0 HD2 LYS A 94 12.491 -3.125 2.006 1.00 1.26 H new ATOM 0 HD3 LYS A 94 13.880 -3.327 3.055 1.00 1.26 H new ATOM 0 HE2 LYS A 94 14.554 -5.375 1.882 1.00 1.91 H new ATOM 0 HE3 LYS A 94 13.073 -5.386 0.946 1.00 1.91 H new ATOM 0 HZ1 LYS A 94 15.187 -4.462 -0.113 1.00 3.19 H new ATOM 0 HZ2 LYS A 94 13.746 -3.586 -0.313 1.00 3.19 H new ATOM 0 HZ3 LYS A 94 14.901 -3.073 0.821 1.00 3.19 H new ATOM 1410 N ARG A 95 9.422 -1.800 5.873 1.00 0.51 N ATOM 1411 CA ARG A 95 8.283 -1.530 6.751 1.00 0.49 C ATOM 1412 C ARG A 95 7.166 -0.808 5.997 1.00 0.40 C ATOM 1413 O ARG A 95 6.099 -1.376 5.756 1.00 0.43 O ATOM 1414 CB ARG A 95 8.739 -0.737 7.980 1.00 0.60 C ATOM 1415 CG ARG A 95 9.108 -1.669 9.145 1.00 0.78 C ATOM 1416 CD ARG A 95 7.932 -1.847 10.122 1.00 1.09 C ATOM 1417 NE ARG A 95 8.411 -2.173 11.475 1.00 1.98 N ATOM 1418 CZ ARG A 95 7.711 -1.975 12.607 1.00 3.21 C ATOM 1419 NH1 ARG A 95 6.417 -1.637 12.544 1.00 3.90 N ATOM 1420 NH2 ARG A 95 8.311 -2.112 13.796 1.00 4.37 N ATOM 0 H ARG A 95 10.234 -1.208 6.046 1.00 0.51 H new ATOM 0 HA ARG A 95 7.875 -2.481 7.095 1.00 0.49 H new ATOM 0 HB2 ARG A 95 9.599 -0.121 7.718 1.00 0.60 H new ATOM 0 HB3 ARG A 95 7.945 -0.059 8.292 1.00 0.60 H new ATOM 0 HG2 ARG A 95 9.407 -2.641 8.753 1.00 0.78 H new ATOM 0 HG3 ARG A 95 9.967 -1.263 9.679 1.00 0.78 H new ATOM 0 HD2 ARG A 95 7.340 -0.933 10.153 1.00 1.09 H new ATOM 0 HD3 ARG A 95 7.275 -2.640 9.765 1.00 1.09 H new ATOM 0 HE ARG A 95 9.343 -2.579 11.561 1.00 1.98 H new ATOM 0 HH11 ARG A 95 5.962 -1.530 11.638 1.00 3.90 H new ATOM 0 HH12 ARG A 95 5.887 -1.487 13.402 1.00 3.90 H new ATOM 0 HH21 ARG A 95 9.298 -2.366 13.843 1.00 4.37 H new ATOM 0 HH22 ARG A 95 7.781 -1.962 14.655 1.00 4.37 H new ATOM 1434 N LEU A 96 7.420 0.456 5.641 1.00 0.36 N ATOM 1435 CA LEU A 96 6.468 1.330 4.971 1.00 0.35 C ATOM 1436 C LEU A 96 5.842 0.626 3.769 1.00 0.36 C ATOM 1437 O LEU A 96 4.647 0.777 3.542 1.00 0.39 O ATOM 1438 CB LEU A 96 7.092 2.678 4.620 1.00 0.36 C ATOM 1439 CG LEU A 96 7.503 3.499 5.865 1.00 0.53 C ATOM 1440 CD1 LEU A 96 7.887 4.897 5.390 1.00 0.81 C ATOM 1441 CD2 LEU A 96 6.392 3.635 6.915 1.00 1.59 C ATOM 0 H LEU A 96 8.318 0.905 5.818 1.00 0.36 H new ATOM 0 HA LEU A 96 5.656 1.552 5.663 1.00 0.35 H new ATOM 0 HB2 LEU A 96 7.970 2.514 3.995 1.00 0.36 H new ATOM 0 HB3 LEU A 96 6.383 3.257 4.028 1.00 0.36 H new ATOM 0 HG LEU A 96 8.326 2.970 6.347 1.00 0.53 H new ATOM 0 HD11 LEU A 96 8.183 5.504 6.246 1.00 0.81 H new ATOM 0 HD12 LEU A 96 8.719 4.827 4.690 1.00 0.81 H new ATOM 0 HD13 LEU A 96 7.034 5.360 4.895 1.00 0.81 H new ATOM 0 HD21 LEU A 96 6.757 4.223 7.757 1.00 1.59 H new ATOM 0 HD22 LEU A 96 5.530 4.133 6.471 1.00 1.59 H new ATOM 0 HD23 LEU A 96 6.098 2.645 7.264 1.00 1.59 H new ATOM 1453 N ASN A 97 6.626 -0.218 3.085 1.00 0.40 N ATOM 1454 CA ASN A 97 6.208 -1.175 2.059 1.00 0.51 C ATOM 1455 C ASN A 97 4.767 -1.655 2.224 1.00 0.55 C ATOM 1456 O ASN A 97 4.020 -1.701 1.252 1.00 0.60 O ATOM 1457 CB ASN A 97 7.101 -2.423 2.164 1.00 0.72 C ATOM 1458 CG ASN A 97 7.673 -2.888 0.838 1.00 0.86 C ATOM 1459 OD1 ASN A 97 7.255 -3.916 0.306 1.00 1.32 O ATOM 1460 ND2 ASN A 97 8.685 -2.184 0.349 1.00 1.16 N ATOM 0 H ASN A 97 7.633 -0.250 3.246 1.00 0.40 H new ATOM 0 HA ASN A 97 6.292 -0.660 1.102 1.00 0.51 H new ATOM 0 HB2 ASN A 97 7.923 -2.212 2.848 1.00 0.72 H new ATOM 0 HB3 ASN A 97 6.522 -3.235 2.603 1.00 0.72 H new ATOM 0 HD21 ASN A 97 9.153 -2.489 -0.505 1.00 1.16 H new ATOM 0 HD22 ASN A 97 8.995 -1.338 0.826 1.00 1.16 H new ATOM 1467 N LYS A 98 4.415 -2.089 3.440 1.00 0.56 N ATOM 1468 CA LYS A 98 3.078 -2.564 3.763 1.00 0.61 C ATOM 1469 C LYS A 98 2.836 -2.518 5.272 1.00 0.64 C ATOM 1470 O LYS A 98 2.760 -3.561 5.914 1.00 0.76 O ATOM 1471 CB LYS A 98 2.757 -3.932 3.138 1.00 0.67 C ATOM 1472 CG LYS A 98 3.833 -4.980 3.425 1.00 0.76 C ATOM 1473 CD LYS A 98 4.617 -5.304 2.150 1.00 2.22 C ATOM 1474 CE LYS A 98 5.902 -6.024 2.555 1.00 3.38 C ATOM 1475 NZ LYS A 98 6.755 -6.349 1.392 1.00 4.67 N ATOM 0 H LYS A 98 5.061 -2.118 4.229 1.00 0.56 H new ATOM 0 HA LYS A 98 2.368 -1.878 3.301 1.00 0.61 H new ATOM 0 HB2 LYS A 98 1.800 -4.286 3.521 1.00 0.67 H new ATOM 0 HB3 LYS A 98 2.646 -3.817 2.060 1.00 0.67 H new ATOM 0 HG2 LYS A 98 4.513 -4.612 4.193 1.00 0.76 H new ATOM 0 HG3 LYS A 98 3.371 -5.887 3.816 1.00 0.76 H new ATOM 0 HD2 LYS A 98 4.022 -5.931 1.486 1.00 2.22 H new ATOM 0 HD3 LYS A 98 4.849 -4.390 1.603 1.00 2.22 H new ATOM 0 HE2 LYS A 98 6.462 -5.399 3.250 1.00 3.38 H new ATOM 0 HE3 LYS A 98 5.649 -6.942 3.085 1.00 3.38 H new ATOM 0 HZ1 LYS A 98 7.718 -6.566 1.718 1.00 4.67 H new ATOM 0 HZ2 LYS A 98 6.364 -7.174 0.894 1.00 4.67 H new ATOM 0 HZ3 LYS A 98 6.784 -5.536 0.744 1.00 4.67 H new ATOM 1489 N ILE A 99 2.695 -1.310 5.827 1.00 0.60 N ATOM 1490 CA ILE A 99 2.188 -1.139 7.190 1.00 0.66 C ATOM 1491 C ILE A 99 0.757 -1.677 7.245 1.00 0.76 C ATOM 1492 O ILE A 99 0.510 -2.697 7.882 1.00 1.15 O ATOM 1493 CB ILE A 99 2.313 0.332 7.638 1.00 0.63 C ATOM 1494 CG1 ILE A 99 3.787 0.767 7.712 1.00 0.61 C ATOM 1495 CG2 ILE A 99 1.612 0.596 8.977 1.00 0.79 C ATOM 1496 CD1 ILE A 99 4.601 0.153 8.857 1.00 1.42 C ATOM 0 H ILE A 99 2.925 -0.437 5.352 1.00 0.60 H new ATOM 0 HA ILE A 99 2.786 -1.709 7.901 1.00 0.66 H new ATOM 0 HB ILE A 99 1.808 0.931 6.880 1.00 0.63 H new ATOM 0 HG12 ILE A 99 4.270 0.512 6.769 1.00 0.61 H new ATOM 0 HG13 ILE A 99 3.823 1.852 7.806 1.00 0.61 H new ATOM 0 HG21 ILE A 99 1.729 1.645 9.248 1.00 0.79 H new ATOM 0 HG22 ILE A 99 0.552 0.361 8.885 1.00 0.79 H new ATOM 0 HG23 ILE A 99 2.057 -0.030 9.750 1.00 0.79 H new ATOM 0 HD11 ILE A 99 5.624 0.526 8.817 1.00 1.42 H new ATOM 0 HD12 ILE A 99 4.152 0.428 9.811 1.00 1.42 H new ATOM 0 HD13 ILE A 99 4.606 -0.933 8.758 1.00 1.42 H new ATOM 1508 N GLU A 100 -0.157 -1.016 6.531 1.00 0.61 N ATOM 1509 CA GLU A 100 -1.511 -1.495 6.301 1.00 0.61 C ATOM 1510 C GLU A 100 -1.903 -1.171 4.859 1.00 0.61 C ATOM 1511 O GLU A 100 -1.468 -1.860 3.937 1.00 0.87 O ATOM 1512 CB GLU A 100 -2.479 -0.911 7.340 1.00 0.65 C ATOM 1513 CG GLU A 100 -2.395 -1.639 8.691 1.00 1.01 C ATOM 1514 CD GLU A 100 -3.552 -1.289 9.623 1.00 1.81 C ATOM 1515 OE1 GLU A 100 -4.638 -0.968 9.093 1.00 2.48 O ATOM 1516 OE2 GLU A 100 -3.336 -1.379 10.849 1.00 2.61 O ATOM 0 H GLU A 100 0.033 -0.116 6.090 1.00 0.61 H new ATOM 0 HA GLU A 100 -1.563 -2.576 6.428 1.00 0.61 H new ATOM 0 HB2 GLU A 100 -2.258 0.146 7.485 1.00 0.65 H new ATOM 0 HB3 GLU A 100 -3.498 -0.974 6.959 1.00 0.65 H new ATOM 0 HG2 GLU A 100 -2.386 -2.715 8.519 1.00 1.01 H new ATOM 0 HG3 GLU A 100 -1.453 -1.386 9.177 1.00 1.01 H new ATOM 1523 N GLY A 101 -2.688 -0.112 4.637 1.00 0.57 N ATOM 1524 CA GLY A 101 -3.223 0.219 3.326 1.00 0.59 C ATOM 1525 C GLY A 101 -2.201 0.986 2.500 1.00 0.57 C ATOM 1526 O GLY A 101 -2.484 2.080 2.015 1.00 0.70 O ATOM 0 H GLY A 101 -2.968 0.539 5.371 1.00 0.57 H new ATOM 0 HA2 GLY A 101 -3.507 -0.695 2.804 1.00 0.59 H new ATOM 0 HA3 GLY A 101 -4.128 0.816 3.438 1.00 0.59 H new ATOM 1530 N VAL A 102 -1.010 0.404 2.354 1.00 0.54 N ATOM 1531 CA VAL A 102 0.087 0.946 1.577 1.00 0.52 C ATOM 1532 C VAL A 102 0.260 0.066 0.347 1.00 0.55 C ATOM 1533 O VAL A 102 0.434 -1.146 0.470 1.00 0.57 O ATOM 1534 CB VAL A 102 1.365 1.044 2.426 1.00 0.48 C ATOM 1535 CG1 VAL A 102 2.451 1.764 1.618 1.00 0.50 C ATOM 1536 CG2 VAL A 102 1.131 1.773 3.758 1.00 0.45 C ATOM 0 H VAL A 102 -0.783 -0.489 2.792 1.00 0.54 H new ATOM 0 HA VAL A 102 -0.129 1.965 1.256 1.00 0.52 H new ATOM 0 HB VAL A 102 1.682 0.030 2.670 1.00 0.48 H new ATOM 0 HG11 VAL A 102 3.360 1.837 2.215 1.00 0.50 H new ATOM 0 HG12 VAL A 102 2.659 1.203 0.707 1.00 0.50 H new ATOM 0 HG13 VAL A 102 2.107 2.765 1.357 1.00 0.50 H new ATOM 0 HG21 VAL A 102 2.065 1.815 4.319 1.00 0.45 H new ATOM 0 HG22 VAL A 102 0.780 2.786 3.562 1.00 0.45 H new ATOM 0 HG23 VAL A 102 0.382 1.236 4.340 1.00 0.45 H new ATOM 1546 N ALA A 103 0.183 0.676 -0.837 1.00 0.58 N ATOM 1547 CA ALA A 103 0.450 -0.007 -2.085 1.00 0.62 C ATOM 1548 C ALA A 103 1.950 -0.242 -2.189 1.00 0.64 C ATOM 1549 O ALA A 103 2.376 -1.379 -2.381 1.00 0.73 O ATOM 1550 CB ALA A 103 -0.060 0.821 -3.266 1.00 0.64 C ATOM 0 H ALA A 103 -0.067 1.659 -0.948 1.00 0.58 H new ATOM 0 HA ALA A 103 -0.071 -0.964 -2.109 1.00 0.62 H new ATOM 0 HB1 ALA A 103 0.148 0.294 -4.197 1.00 0.64 H new ATOM 0 HB2 ALA A 103 -1.135 0.972 -3.167 1.00 0.64 H new ATOM 0 HB3 ALA A 103 0.443 1.788 -3.276 1.00 0.64 H new ATOM 1556 N ASN A 104 2.738 0.833 -2.049 1.00 0.60 N ATOM 1557 CA ASN A 104 4.194 0.817 -2.205 1.00 0.62 C ATOM 1558 C ASN A 104 4.798 1.934 -1.359 1.00 0.53 C ATOM 1559 O ASN A 104 4.073 2.740 -0.778 1.00 0.57 O ATOM 1560 CB ASN A 104 4.624 1.010 -3.672 1.00 0.73 C ATOM 1561 CG ASN A 104 4.004 0.003 -4.635 1.00 0.78 C ATOM 1562 OD1 ASN A 104 4.326 -1.181 -4.601 1.00 0.98 O ATOM 1563 ND2 ASN A 104 3.121 0.477 -5.501 1.00 0.70 N ATOM 0 H ASN A 104 2.370 1.756 -1.819 1.00 0.60 H new ATOM 0 HA ASN A 104 4.553 -0.159 -1.878 1.00 0.62 H new ATOM 0 HB2 ASN A 104 4.353 2.017 -3.990 1.00 0.73 H new ATOM 0 HB3 ASN A 104 5.710 0.937 -3.735 1.00 0.73 H new ATOM 0 HD21 ASN A 104 2.680 -0.150 -6.174 1.00 0.70 H new ATOM 0 HD22 ASN A 104 2.882 1.469 -5.495 1.00 0.70 H new ATOM 1570 N ALA A 105 6.132 2.008 -1.312 1.00 0.45 N ATOM 1571 CA ALA A 105 6.854 3.005 -0.524 1.00 0.41 C ATOM 1572 C ALA A 105 8.363 3.050 -0.828 1.00 0.42 C ATOM 1573 O ALA A 105 9.162 2.663 0.026 1.00 0.44 O ATOM 1574 CB ALA A 105 6.624 2.763 0.977 1.00 0.42 C ATOM 0 H ALA A 105 6.743 1.372 -1.824 1.00 0.45 H new ATOM 0 HA ALA A 105 6.451 3.976 -0.811 1.00 0.41 H new ATOM 0 HB1 ALA A 105 7.167 3.512 1.554 1.00 0.42 H new ATOM 0 HB2 ALA A 105 5.559 2.836 1.198 1.00 0.42 H new ATOM 0 HB3 ALA A 105 6.983 1.769 1.244 1.00 0.42 H new ATOM 1580 N PRO A 106 8.793 3.494 -2.022 1.00 0.43 N ATOM 1581 CA PRO A 106 10.209 3.567 -2.360 1.00 0.46 C ATOM 1582 C PRO A 106 10.924 4.706 -1.612 1.00 0.43 C ATOM 1583 O PRO A 106 10.382 5.803 -1.457 1.00 0.43 O ATOM 1584 CB PRO A 106 10.251 3.754 -3.879 1.00 0.51 C ATOM 1585 CG PRO A 106 8.936 4.473 -4.178 1.00 0.49 C ATOM 1586 CD PRO A 106 7.967 3.879 -3.154 1.00 0.45 C ATOM 0 HA PRO A 106 10.741 2.666 -2.056 1.00 0.46 H new ATOM 0 HB2 PRO A 106 11.113 4.345 -4.188 1.00 0.51 H new ATOM 0 HB3 PRO A 106 10.316 2.799 -4.401 1.00 0.51 H new ATOM 0 HG2 PRO A 106 9.032 5.552 -4.061 1.00 0.49 H new ATOM 0 HG3 PRO A 106 8.602 4.292 -5.200 1.00 0.49 H new ATOM 0 HD2 PRO A 106 7.211 4.607 -2.860 1.00 0.45 H new ATOM 0 HD3 PRO A 106 7.438 3.019 -3.566 1.00 0.45 H new ATOM 1594 N VAL A 107 12.156 4.429 -1.163 1.00 0.45 N ATOM 1595 CA VAL A 107 13.009 5.333 -0.394 1.00 0.45 C ATOM 1596 C VAL A 107 14.195 5.761 -1.262 1.00 0.49 C ATOM 1597 O VAL A 107 14.750 4.930 -1.981 1.00 0.61 O ATOM 1598 CB VAL A 107 13.499 4.628 0.887 1.00 0.51 C ATOM 1599 CG1 VAL A 107 14.246 5.610 1.800 1.00 1.97 C ATOM 1600 CG2 VAL A 107 12.340 4.009 1.680 1.00 2.31 C ATOM 0 H VAL A 107 12.601 3.528 -1.336 1.00 0.45 H new ATOM 0 HA VAL A 107 12.443 6.218 -0.102 1.00 0.45 H new ATOM 0 HB VAL A 107 14.171 3.833 0.565 1.00 0.51 H new ATOM 0 HG11 VAL A 107 14.582 5.089 2.697 1.00 1.97 H new ATOM 0 HG12 VAL A 107 15.109 6.014 1.271 1.00 1.97 H new ATOM 0 HG13 VAL A 107 13.579 6.424 2.082 1.00 1.97 H new ATOM 0 HG21 VAL A 107 12.730 3.523 2.574 1.00 2.31 H new ATOM 0 HG22 VAL A 107 11.638 4.791 1.969 1.00 2.31 H new ATOM 0 HG23 VAL A 107 11.828 3.273 1.061 1.00 2.31 H new ATOM 1610 N ASN A 108 14.603 7.033 -1.179 1.00 0.51 N ATOM 1611 CA ASN A 108 15.715 7.586 -1.936 1.00 0.61 C ATOM 1612 C ASN A 108 16.839 7.985 -0.989 1.00 0.72 C ATOM 1613 O ASN A 108 16.585 8.505 0.094 1.00 1.69 O ATOM 1614 CB ASN A 108 15.285 8.849 -2.682 1.00 0.79 C ATOM 1615 CG ASN A 108 14.354 8.579 -3.864 1.00 1.11 C ATOM 1616 OD1 ASN A 108 13.581 7.629 -3.874 1.00 1.79 O ATOM 1617 ND2 ASN A 108 14.433 9.416 -4.894 1.00 1.41 N ATOM 0 H ASN A 108 14.154 7.716 -0.568 1.00 0.51 H new ATOM 0 HA ASN A 108 16.047 6.823 -2.641 1.00 0.61 H new ATOM 0 HB2 ASN A 108 14.785 9.520 -1.984 1.00 0.79 H new ATOM 0 HB3 ASN A 108 16.174 9.368 -3.042 1.00 0.79 H new ATOM 0 HD21 ASN A 108 13.843 9.273 -5.714 1.00 1.41 H new ATOM 0 HD22 ASN A 108 15.084 10.201 -4.865 1.00 1.41 H new ATOM 1624 N PHE A 109 18.080 7.814 -1.453 1.00 0.93 N ATOM 1625 CA PHE A 109 19.292 8.155 -0.716 1.00 1.01 C ATOM 1626 C PHE A 109 19.935 9.461 -1.201 1.00 1.17 C ATOM 1627 O PHE A 109 21.026 9.799 -0.752 1.00 1.58 O ATOM 1628 CB PHE A 109 20.290 6.993 -0.848 1.00 1.03 C ATOM 1629 CG PHE A 109 20.680 6.402 0.484 1.00 1.19 C ATOM 1630 CD1 PHE A 109 21.499 7.141 1.356 1.00 2.57 C ATOM 1631 CD2 PHE A 109 20.099 5.197 0.915 1.00 1.73 C ATOM 1632 CE1 PHE A 109 21.725 6.681 2.662 1.00 2.72 C ATOM 1633 CE2 PHE A 109 20.363 4.718 2.206 1.00 1.91 C ATOM 1634 CZ PHE A 109 21.172 5.460 3.086 1.00 1.70 C ATOM 0 H PHE A 109 18.271 7.424 -2.376 1.00 0.93 H new ATOM 0 HA PHE A 109 19.019 8.314 0.327 1.00 1.01 H new ATOM 0 HB2 PHE A 109 19.852 6.214 -1.472 1.00 1.03 H new ATOM 0 HB3 PHE A 109 21.185 7.346 -1.360 1.00 1.03 H new ATOM 0 HD1 PHE A 109 21.954 8.062 1.021 1.00 2.57 H new ATOM 0 HD2 PHE A 109 19.451 4.641 0.253 1.00 1.73 H new ATOM 0 HE1 PHE A 109 22.325 7.266 3.343 1.00 2.72 H new ATOM 0 HE2 PHE A 109 19.944 3.776 2.526 1.00 1.91 H new ATOM 0 HZ PHE A 109 21.367 5.093 4.083 1.00 1.70 H new ATOM 1644 N ALA A 110 19.304 10.140 -2.164 1.00 1.06 N ATOM 1645 CA ALA A 110 19.859 11.311 -2.843 1.00 1.33 C ATOM 1646 C ALA A 110 19.047 12.580 -2.573 1.00 1.65 C ATOM 1647 O ALA A 110 19.521 13.682 -2.841 1.00 2.33 O ATOM 1648 CB ALA A 110 19.893 11.026 -4.346 1.00 1.29 C ATOM 0 H ALA A 110 18.375 9.885 -2.499 1.00 1.06 H new ATOM 0 HA ALA A 110 20.863 11.489 -2.457 1.00 1.33 H new ATOM 0 HB1 ALA A 110 20.304 11.888 -4.871 1.00 1.29 H new ATOM 0 HB2 ALA A 110 20.518 10.153 -4.537 1.00 1.29 H new ATOM 0 HB3 ALA A 110 18.881 10.833 -4.703 1.00 1.29 H new ATOM 1654 N LEU A 111 17.799 12.411 -2.128 1.00 1.28 N ATOM 1655 CA LEU A 111 16.905 13.494 -1.739 1.00 1.49 C ATOM 1656 C LEU A 111 16.645 13.457 -0.231 1.00 1.35 C ATOM 1657 O LEU A 111 16.025 14.371 0.306 1.00 1.44 O ATOM 1658 CB LEU A 111 15.553 13.315 -2.444 1.00 1.56 C ATOM 1659 CG LEU A 111 15.622 13.035 -3.953 1.00 1.58 C ATOM 1660 CD1 LEU A 111 14.194 12.898 -4.497 1.00 1.82 C ATOM 1661 CD2 LEU A 111 16.348 14.152 -4.710 1.00 1.84 C ATOM 0 H LEU A 111 17.375 11.489 -2.027 1.00 1.28 H new ATOM 0 HA LEU A 111 17.372 14.439 -2.016 1.00 1.49 H new ATOM 0 HB2 LEU A 111 15.020 12.494 -1.965 1.00 1.56 H new ATOM 0 HB3 LEU A 111 14.960 14.216 -2.287 1.00 1.56 H new ATOM 0 HG LEU A 111 16.185 12.114 -4.103 1.00 1.58 H new ATOM 0 HD11 LEU A 111 14.230 12.699 -5.568 1.00 1.82 H new ATOM 0 HD12 LEU A 111 13.690 12.074 -3.992 1.00 1.82 H new ATOM 0 HD13 LEU A 111 13.646 13.823 -4.318 1.00 1.82 H new ATOM 0 HD21 LEU A 111 16.374 13.914 -5.773 1.00 1.84 H new ATOM 0 HD22 LEU A 111 15.820 15.094 -4.562 1.00 1.84 H new ATOM 0 HD23 LEU A 111 17.367 14.244 -4.334 1.00 1.84 H new ATOM 1673 N GLU A 112 17.013 12.347 0.417 1.00 1.21 N ATOM 1674 CA GLU A 112 16.651 12.007 1.774 1.00 1.16 C ATOM 1675 C GLU A 112 15.134 12.045 1.974 1.00 1.01 C ATOM 1676 O GLU A 112 14.626 12.607 2.943 1.00 1.06 O ATOM 1677 CB GLU A 112 17.455 12.866 2.759 1.00 1.38 C ATOM 1678 CG GLU A 112 18.956 12.559 2.627 1.00 1.52 C ATOM 1679 CD GLU A 112 19.646 13.388 1.550 1.00 3.08 C ATOM 1680 OE1 GLU A 112 20.116 14.491 1.900 1.00 3.71 O ATOM 1681 OE2 GLU A 112 19.687 12.894 0.399 1.00 4.31 O ATOM 0 H GLU A 112 17.598 11.636 -0.021 1.00 1.21 H new ATOM 0 HA GLU A 112 16.924 10.973 1.984 1.00 1.16 H new ATOM 0 HB2 GLU A 112 17.274 13.923 2.563 1.00 1.38 H new ATOM 0 HB3 GLU A 112 17.124 12.669 3.779 1.00 1.38 H new ATOM 0 HG2 GLU A 112 19.443 12.742 3.585 1.00 1.52 H new ATOM 0 HG3 GLU A 112 19.085 11.501 2.400 1.00 1.52 H new ATOM 1688 N THR A 113 14.418 11.384 1.056 1.00 0.86 N ATOM 1689 CA THR A 113 12.963 11.265 1.097 1.00 0.67 C ATOM 1690 C THR A 113 12.518 9.819 0.907 1.00 0.54 C ATOM 1691 O THR A 113 13.231 9.015 0.302 1.00 0.69 O ATOM 1692 CB THR A 113 12.287 12.171 0.056 1.00 0.83 C ATOM 1693 OG1 THR A 113 12.571 11.719 -1.250 1.00 0.93 O ATOM 1694 CG2 THR A 113 12.730 13.629 0.167 1.00 1.11 C ATOM 0 H THR A 113 14.842 10.913 0.257 1.00 0.86 H new ATOM 0 HA THR A 113 12.648 11.596 2.087 1.00 0.67 H new ATOM 0 HB THR A 113 11.217 12.120 0.258 1.00 0.83 H new ATOM 0 HG1 THR A 113 12.132 12.305 -1.902 1.00 0.93 H new ATOM 0 HG21 THR A 113 12.221 14.223 -0.592 1.00 1.11 H new ATOM 0 HG22 THR A 113 12.478 14.012 1.156 1.00 1.11 H new ATOM 0 HG23 THR A 113 13.808 13.694 0.016 1.00 1.11 H new ATOM 1702 N VAL A 114 11.319 9.519 1.406 1.00 0.37 N ATOM 1703 CA VAL A 114 10.528 8.359 1.045 1.00 0.37 C ATOM 1704 C VAL A 114 9.258 8.871 0.384 1.00 0.37 C ATOM 1705 O VAL A 114 8.579 9.742 0.934 1.00 0.35 O ATOM 1706 CB VAL A 114 10.238 7.453 2.260 1.00 0.38 C ATOM 1707 CG1 VAL A 114 9.620 8.189 3.456 1.00 0.37 C ATOM 1708 CG2 VAL A 114 9.313 6.290 1.876 1.00 0.41 C ATOM 0 H VAL A 114 10.860 10.107 2.101 1.00 0.37 H new ATOM 0 HA VAL A 114 11.079 7.725 0.351 1.00 0.37 H new ATOM 0 HB VAL A 114 11.216 7.083 2.569 1.00 0.38 H new ATOM 0 HG11 VAL A 114 9.447 7.483 4.268 1.00 0.37 H new ATOM 0 HG12 VAL A 114 10.301 8.970 3.794 1.00 0.37 H new ATOM 0 HG13 VAL A 114 8.673 8.638 3.157 1.00 0.37 H new ATOM 0 HG21 VAL A 114 9.127 5.669 2.752 1.00 0.41 H new ATOM 0 HG22 VAL A 114 8.368 6.685 1.503 1.00 0.41 H new ATOM 0 HG23 VAL A 114 9.787 5.689 1.100 1.00 0.41 H new ATOM 1718 N THR A 115 8.935 8.311 -0.780 1.00 0.40 N ATOM 1719 CA THR A 115 7.608 8.442 -1.344 1.00 0.42 C ATOM 1720 C THR A 115 6.829 7.270 -0.764 1.00 0.42 C ATOM 1721 O THR A 115 7.290 6.138 -0.872 1.00 0.63 O ATOM 1722 CB THR A 115 7.683 8.369 -2.872 1.00 0.53 C ATOM 1723 OG1 THR A 115 8.627 9.311 -3.339 1.00 0.59 O ATOM 1724 CG2 THR A 115 6.318 8.666 -3.498 1.00 0.62 C ATOM 0 H THR A 115 9.581 7.762 -1.347 1.00 0.40 H new ATOM 0 HA THR A 115 7.133 9.394 -1.106 1.00 0.42 H new ATOM 0 HB THR A 115 7.985 7.362 -3.158 1.00 0.53 H new ATOM 0 HG1 THR A 115 8.679 9.265 -4.317 1.00 0.59 H new ATOM 0 HG21 THR A 115 6.395 8.609 -4.584 1.00 0.62 H new ATOM 0 HG22 THR A 115 5.590 7.935 -3.147 1.00 0.62 H new ATOM 0 HG23 THR A 115 5.995 9.666 -3.210 1.00 0.62 H new ATOM 1732 N VAL A 116 5.690 7.522 -0.125 1.00 0.39 N ATOM 1733 CA VAL A 116 4.814 6.491 0.402 1.00 0.45 C ATOM 1734 C VAL A 116 3.533 6.515 -0.425 1.00 0.48 C ATOM 1735 O VAL A 116 2.875 7.549 -0.529 1.00 0.51 O ATOM 1736 CB VAL A 116 4.604 6.680 1.910 1.00 0.57 C ATOM 1737 CG1 VAL A 116 3.907 7.996 2.253 1.00 0.68 C ATOM 1738 CG2 VAL A 116 3.806 5.513 2.496 1.00 0.76 C ATOM 0 H VAL A 116 5.347 8.468 0.042 1.00 0.39 H new ATOM 0 HA VAL A 116 5.251 5.497 0.311 1.00 0.45 H new ATOM 0 HB VAL A 116 5.599 6.709 2.354 1.00 0.57 H new ATOM 0 HG11 VAL A 116 3.786 8.073 3.334 1.00 0.68 H new ATOM 0 HG12 VAL A 116 4.509 8.831 1.895 1.00 0.68 H new ATOM 0 HG13 VAL A 116 2.927 8.024 1.776 1.00 0.68 H new ATOM 0 HG21 VAL A 116 3.669 5.667 3.566 1.00 0.76 H new ATOM 0 HG22 VAL A 116 2.832 5.457 2.009 1.00 0.76 H new ATOM 0 HG23 VAL A 116 4.348 4.582 2.330 1.00 0.76 H new ATOM 1748 N GLU A 117 3.223 5.388 -1.063 1.00 0.53 N ATOM 1749 CA GLU A 117 2.108 5.252 -1.974 1.00 0.56 C ATOM 1750 C GLU A 117 1.028 4.482 -1.223 1.00 0.55 C ATOM 1751 O GLU A 117 1.063 3.251 -1.174 1.00 0.55 O ATOM 1752 CB GLU A 117 2.603 4.510 -3.222 1.00 0.64 C ATOM 1753 CG GLU A 117 1.643 4.704 -4.394 1.00 1.26 C ATOM 1754 CD GLU A 117 1.723 3.553 -5.379 1.00 1.78 C ATOM 1755 OE1 GLU A 117 2.864 3.150 -5.690 1.00 2.37 O ATOM 1756 OE2 GLU A 117 0.647 3.056 -5.769 1.00 2.88 O ATOM 0 H GLU A 117 3.759 4.527 -0.952 1.00 0.53 H new ATOM 0 HA GLU A 117 1.697 6.206 -2.304 1.00 0.56 H new ATOM 0 HB2 GLU A 117 3.594 4.873 -3.496 1.00 0.64 H new ATOM 0 HB3 GLU A 117 2.702 3.447 -3.001 1.00 0.64 H new ATOM 0 HG2 GLU A 117 0.623 4.792 -4.019 1.00 1.26 H new ATOM 0 HG3 GLU A 117 1.876 5.638 -4.905 1.00 1.26 H new ATOM 1763 N TYR A 118 0.109 5.200 -0.572 1.00 0.56 N ATOM 1764 CA TYR A 118 -0.800 4.601 0.396 1.00 0.55 C ATOM 1765 C TYR A 118 -2.153 5.277 0.387 1.00 0.58 C ATOM 1766 O TYR A 118 -2.294 6.364 -0.169 1.00 0.64 O ATOM 1767 CB TYR A 118 -0.195 4.643 1.801 1.00 0.52 C ATOM 1768 CG TYR A 118 -0.352 5.949 2.559 1.00 0.50 C ATOM 1769 CD1 TYR A 118 0.141 7.160 2.036 1.00 1.88 C ATOM 1770 CD2 TYR A 118 -0.987 5.940 3.814 1.00 1.96 C ATOM 1771 CE1 TYR A 118 0.019 8.345 2.781 1.00 1.90 C ATOM 1772 CE2 TYR A 118 -1.049 7.113 4.583 1.00 1.96 C ATOM 1773 CZ TYR A 118 -0.541 8.314 4.066 1.00 0.57 C ATOM 1774 OH TYR A 118 -0.467 9.418 4.858 1.00 0.79 O ATOM 0 H TYR A 118 -0.022 6.203 -0.702 1.00 0.56 H new ATOM 0 HA TYR A 118 -0.947 3.561 0.105 1.00 0.55 H new ATOM 0 HB2 TYR A 118 -0.647 3.847 2.393 1.00 0.52 H new ATOM 0 HB3 TYR A 118 0.869 4.418 1.723 1.00 0.52 H new ATOM 0 HD1 TYR A 118 0.612 7.178 1.064 1.00 1.88 H new ATOM 0 HD2 TYR A 118 -1.428 5.028 4.187 1.00 1.96 H new ATOM 0 HE1 TYR A 118 0.357 9.282 2.363 1.00 1.90 H new ATOM 0 HE2 TYR A 118 -1.487 7.091 5.570 1.00 1.96 H new ATOM 0 HH TYR A 118 -1.372 9.719 5.085 1.00 0.79 H new ATOM 1784 N ASN A 119 -3.158 4.603 0.952 1.00 0.55 N ATOM 1785 CA ASN A 119 -4.502 5.139 0.981 1.00 0.54 C ATOM 1786 C ASN A 119 -4.580 6.149 2.122 1.00 0.56 C ATOM 1787 O ASN A 119 -4.577 5.733 3.283 1.00 0.67 O ATOM 1788 CB ASN A 119 -5.549 4.025 1.126 1.00 0.68 C ATOM 1789 CG ASN A 119 -6.951 4.629 1.121 1.00 1.20 C ATOM 1790 OD1 ASN A 119 -7.116 5.823 0.898 1.00 1.74 O ATOM 1791 ND2 ASN A 119 -7.993 3.870 1.423 1.00 2.23 N ATOM 0 H ASN A 119 -3.057 3.688 1.392 1.00 0.55 H new ATOM 0 HA ASN A 119 -4.727 5.637 0.038 1.00 0.54 H new ATOM 0 HB2 ASN A 119 -5.448 3.310 0.309 1.00 0.68 H new ATOM 0 HB3 ASN A 119 -5.383 3.476 2.053 1.00 0.68 H new ATOM 0 HD21 ASN A 119 -8.926 4.280 1.469 1.00 2.23 H new ATOM 0 HD22 ASN A 119 -7.863 2.876 1.610 1.00 2.23 H new ATOM 1798 N PRO A 120 -4.704 7.459 1.833 1.00 0.55 N ATOM 1799 CA PRO A 120 -4.810 8.467 2.871 1.00 0.59 C ATOM 1800 C PRO A 120 -6.199 8.452 3.523 1.00 0.63 C ATOM 1801 O PRO A 120 -6.525 9.374 4.270 1.00 0.70 O ATOM 1802 CB PRO A 120 -4.548 9.789 2.148 1.00 0.62 C ATOM 1803 CG PRO A 120 -5.199 9.546 0.789 1.00 0.58 C ATOM 1804 CD PRO A 120 -4.858 8.080 0.519 1.00 0.53 C ATOM 0 HA PRO A 120 -4.105 8.297 3.685 1.00 0.59 H new ATOM 0 HB2 PRO A 120 -4.997 10.634 2.669 1.00 0.62 H new ATOM 0 HB3 PRO A 120 -3.482 10.000 2.057 1.00 0.62 H new ATOM 0 HG2 PRO A 120 -6.276 9.714 0.818 1.00 0.58 H new ATOM 0 HG3 PRO A 120 -4.794 10.205 0.021 1.00 0.58 H new ATOM 0 HD2 PRO A 120 -5.648 7.594 -0.053 1.00 0.53 H new ATOM 0 HD3 PRO A 120 -3.942 7.993 -0.065 1.00 0.53 H new ATOM 1812 N LYS A 121 -7.040 7.453 3.218 1.00 0.65 N ATOM 1813 CA LYS A 121 -8.303 7.261 3.919 1.00 0.71 C ATOM 1814 C LYS A 121 -8.124 6.218 5.022 1.00 0.71 C ATOM 1815 O LYS A 121 -8.401 6.509 6.183 1.00 0.94 O ATOM 1816 CB LYS A 121 -9.417 6.875 2.944 1.00 0.75 C ATOM 1817 CG LYS A 121 -9.546 7.807 1.733 1.00 1.82 C ATOM 1818 CD LYS A 121 -9.851 9.246 2.162 1.00 3.01 C ATOM 1819 CE LYS A 121 -10.219 10.091 0.936 1.00 4.37 C ATOM 1820 NZ LYS A 121 -10.512 11.492 1.301 1.00 5.53 N ATOM 0 H LYS A 121 -6.860 6.766 2.486 1.00 0.65 H new ATOM 0 HA LYS A 121 -8.602 8.201 4.383 1.00 0.71 H new ATOM 0 HB2 LYS A 121 -9.238 5.860 2.589 1.00 0.75 H new ATOM 0 HB3 LYS A 121 -10.366 6.862 3.481 1.00 0.75 H new ATOM 0 HG2 LYS A 121 -8.621 7.786 1.157 1.00 1.82 H new ATOM 0 HG3 LYS A 121 -10.338 7.446 1.077 1.00 1.82 H new ATOM 0 HD2 LYS A 121 -10.672 9.254 2.879 1.00 3.01 H new ATOM 0 HD3 LYS A 121 -8.984 9.676 2.664 1.00 3.01 H new ATOM 0 HE2 LYS A 121 -9.399 10.067 0.219 1.00 4.37 H new ATOM 0 HE3 LYS A 121 -11.087 9.655 0.442 1.00 4.37 H new ATOM 0 HZ1 LYS A 121 -10.756 12.030 0.445 1.00 5.53 H new ATOM 0 HZ2 LYS A 121 -11.311 11.518 1.966 1.00 5.53 H new ATOM 0 HZ3 LYS A 121 -9.675 11.916 1.749 1.00 5.53 H new ATOM 1834 N GLU A 122 -7.655 5.017 4.664 1.00 0.58 N ATOM 1835 CA GLU A 122 -7.407 3.958 5.638 1.00 0.61 C ATOM 1836 C GLU A 122 -6.434 4.433 6.721 1.00 0.61 C ATOM 1837 O GLU A 122 -6.680 4.225 7.906 1.00 0.70 O ATOM 1838 CB GLU A 122 -6.869 2.679 4.966 1.00 0.65 C ATOM 1839 CG GLU A 122 -7.927 1.582 4.771 1.00 0.68 C ATOM 1840 CD GLU A 122 -9.036 1.994 3.821 1.00 1.66 C ATOM 1841 OE1 GLU A 122 -8.840 1.740 2.617 1.00 2.80 O ATOM 1842 OE2 GLU A 122 -10.036 2.591 4.269 1.00 2.69 O ATOM 0 H GLU A 122 -7.440 4.758 3.701 1.00 0.58 H new ATOM 0 HA GLU A 122 -8.363 3.716 6.103 1.00 0.61 H new ATOM 0 HB2 GLU A 122 -6.449 2.941 3.995 1.00 0.65 H new ATOM 0 HB3 GLU A 122 -6.054 2.280 5.569 1.00 0.65 H new ATOM 0 HG2 GLU A 122 -7.444 0.682 4.390 1.00 0.68 H new ATOM 0 HG3 GLU A 122 -8.360 1.326 5.738 1.00 0.68 H new ATOM 1849 N ALA A 123 -5.314 5.037 6.310 1.00 0.54 N ATOM 1850 CA ALA A 123 -4.268 5.488 7.220 1.00 0.52 C ATOM 1851 C ALA A 123 -3.985 6.968 6.970 1.00 0.50 C ATOM 1852 O ALA A 123 -4.587 7.578 6.089 1.00 0.55 O ATOM 1853 CB ALA A 123 -3.030 4.605 7.034 1.00 0.50 C ATOM 0 H ALA A 123 -5.111 5.226 5.328 1.00 0.54 H new ATOM 0 HA ALA A 123 -4.583 5.393 8.259 1.00 0.52 H new ATOM 0 HB1 ALA A 123 -2.242 4.935 7.711 1.00 0.50 H new ATOM 0 HB2 ALA A 123 -3.286 3.569 7.254 1.00 0.50 H new ATOM 0 HB3 ALA A 123 -2.680 4.682 6.005 1.00 0.50 H new ATOM 1859 N SER A 124 -3.085 7.566 7.756 1.00 0.48 N ATOM 1860 CA SER A 124 -2.781 8.988 7.681 1.00 0.46 C ATOM 1861 C SER A 124 -1.326 9.233 8.078 1.00 0.46 C ATOM 1862 O SER A 124 -0.644 8.332 8.558 1.00 0.56 O ATOM 1863 CB SER A 124 -3.738 9.759 8.597 1.00 0.51 C ATOM 1864 OG SER A 124 -3.520 9.388 9.947 1.00 2.03 O ATOM 0 H SER A 124 -2.546 7.069 8.465 1.00 0.48 H new ATOM 0 HA SER A 124 -2.915 9.340 6.658 1.00 0.46 H new ATOM 0 HB2 SER A 124 -3.585 10.831 8.477 1.00 0.51 H new ATOM 0 HB3 SER A 124 -4.770 9.551 8.316 1.00 0.51 H new ATOM 0 HG SER A 124 -4.134 9.886 10.526 1.00 2.03 H new ATOM 1870 N VAL A 125 -0.843 10.461 7.890 1.00 0.46 N ATOM 1871 CA VAL A 125 0.505 10.862 8.278 1.00 0.48 C ATOM 1872 C VAL A 125 0.802 10.487 9.736 1.00 0.49 C ATOM 1873 O VAL A 125 1.928 10.122 10.068 1.00 0.54 O ATOM 1874 CB VAL A 125 0.697 12.368 8.023 1.00 0.57 C ATOM 1875 CG1 VAL A 125 2.169 12.749 8.229 1.00 1.44 C ATOM 1876 CG2 VAL A 125 0.274 12.747 6.595 1.00 1.47 C ATOM 0 H VAL A 125 -1.384 11.211 7.460 1.00 0.46 H new ATOM 0 HA VAL A 125 1.223 10.318 7.664 1.00 0.48 H new ATOM 0 HB VAL A 125 0.069 12.911 8.730 1.00 0.57 H new ATOM 0 HG11 VAL A 125 2.298 13.816 8.047 1.00 1.44 H new ATOM 0 HG12 VAL A 125 2.465 12.517 9.252 1.00 1.44 H new ATOM 0 HG13 VAL A 125 2.791 12.185 7.535 1.00 1.44 H new ATOM 0 HG21 VAL A 125 0.421 13.816 6.444 1.00 1.47 H new ATOM 0 HG22 VAL A 125 0.879 12.193 5.877 1.00 1.47 H new ATOM 0 HG23 VAL A 125 -0.778 12.501 6.450 1.00 1.47 H new ATOM 1886 N SER A 126 -0.200 10.559 10.616 1.00 0.48 N ATOM 1887 CA SER A 126 -0.031 10.151 12.003 1.00 0.52 C ATOM 1888 C SER A 126 0.371 8.678 12.114 1.00 0.49 C ATOM 1889 O SER A 126 1.248 8.359 12.913 1.00 0.50 O ATOM 1890 CB SER A 126 -1.300 10.450 12.802 1.00 0.62 C ATOM 1891 OG SER A 126 -1.558 11.842 12.759 1.00 0.81 O ATOM 0 H SER A 126 -1.135 10.897 10.387 1.00 0.48 H new ATOM 0 HA SER A 126 0.786 10.732 12.431 1.00 0.52 H new ATOM 0 HB2 SER A 126 -2.144 9.898 12.388 1.00 0.62 H new ATOM 0 HB3 SER A 126 -1.180 10.122 13.834 1.00 0.62 H new ATOM 0 HG SER A 126 -2.372 12.040 13.268 1.00 0.81 H new ATOM 1897 N ASP A 127 -0.231 7.793 11.311 1.00 0.48 N ATOM 1898 CA ASP A 127 0.122 6.377 11.299 1.00 0.51 C ATOM 1899 C ASP A 127 1.594 6.225 10.919 1.00 0.49 C ATOM 1900 O ASP A 127 2.369 5.555 11.595 1.00 0.51 O ATOM 1901 CB ASP A 127 -0.767 5.618 10.306 1.00 0.56 C ATOM 1902 CG ASP A 127 -0.277 4.188 10.141 1.00 0.90 C ATOM 1903 OD1 ASP A 127 -0.660 3.359 10.990 1.00 1.87 O ATOM 1904 OD2 ASP A 127 0.486 3.967 9.176 1.00 2.27 O ATOM 0 H ASP A 127 -0.972 8.041 10.656 1.00 0.48 H new ATOM 0 HA ASP A 127 -0.037 5.957 12.292 1.00 0.51 H new ATOM 0 HB2 ASP A 127 -1.798 5.617 10.659 1.00 0.56 H new ATOM 0 HB3 ASP A 127 -0.760 6.125 9.341 1.00 0.56 H new ATOM 1909 N LEU A 128 1.984 6.912 9.846 1.00 0.48 N ATOM 1910 CA LEU A 128 3.339 6.863 9.318 1.00 0.49 C ATOM 1911 C LEU A 128 4.338 7.353 10.358 1.00 0.47 C ATOM 1912 O LEU A 128 5.372 6.723 10.583 1.00 0.47 O ATOM 1913 CB LEU A 128 3.422 7.680 8.031 1.00 0.52 C ATOM 1914 CG LEU A 128 2.618 7.025 6.901 1.00 0.61 C ATOM 1915 CD1 LEU A 128 2.556 8.018 5.746 1.00 0.71 C ATOM 1916 CD2 LEU A 128 3.252 5.724 6.392 1.00 0.79 C ATOM 0 H LEU A 128 1.360 7.522 9.317 1.00 0.48 H new ATOM 0 HA LEU A 128 3.595 5.830 9.083 1.00 0.49 H new ATOM 0 HB2 LEU A 128 3.045 8.687 8.212 1.00 0.52 H new ATOM 0 HB3 LEU A 128 4.464 7.780 7.728 1.00 0.52 H new ATOM 0 HG LEU A 128 1.631 6.772 7.289 1.00 0.61 H new ATOM 0 HD11 LEU A 128 1.990 7.583 4.922 1.00 0.71 H new ATOM 0 HD12 LEU A 128 2.067 8.934 6.079 1.00 0.71 H new ATOM 0 HD13 LEU A 128 3.567 8.248 5.409 1.00 0.71 H new ATOM 0 HD21 LEU A 128 2.638 5.308 5.594 1.00 0.79 H new ATOM 0 HD22 LEU A 128 4.252 5.931 6.010 1.00 0.79 H new ATOM 0 HD23 LEU A 128 3.318 5.007 7.210 1.00 0.79 H new ATOM 1928 N LYS A 129 4.025 8.477 11.007 1.00 0.48 N ATOM 1929 CA LYS A 129 4.838 8.973 12.101 1.00 0.51 C ATOM 1930 C LYS A 129 4.906 7.930 13.223 1.00 0.51 C ATOM 1931 O LYS A 129 6.000 7.571 13.640 1.00 0.56 O ATOM 1932 CB LYS A 129 4.375 10.372 12.531 1.00 0.65 C ATOM 1933 CG LYS A 129 4.756 11.370 11.421 1.00 0.77 C ATOM 1934 CD LYS A 129 4.695 12.855 11.801 1.00 0.76 C ATOM 1935 CE LYS A 129 3.296 13.340 12.200 1.00 2.11 C ATOM 1936 NZ LYS A 129 2.985 13.048 13.615 1.00 2.84 N ATOM 0 H LYS A 129 3.213 9.055 10.788 1.00 0.48 H new ATOM 0 HA LYS A 129 5.869 9.113 11.776 1.00 0.51 H new ATOM 0 HB2 LYS A 129 3.298 10.381 12.696 1.00 0.65 H new ATOM 0 HB3 LYS A 129 4.845 10.654 13.473 1.00 0.65 H new ATOM 0 HG2 LYS A 129 5.768 11.142 11.087 1.00 0.77 H new ATOM 0 HG3 LYS A 129 4.095 11.206 10.570 1.00 0.77 H new ATOM 0 HD2 LYS A 129 5.381 13.036 12.629 1.00 0.76 H new ATOM 0 HD3 LYS A 129 5.048 13.450 10.959 1.00 0.76 H new ATOM 0 HE2 LYS A 129 3.223 14.414 12.028 1.00 2.11 H new ATOM 0 HE3 LYS A 129 2.552 12.864 11.561 1.00 2.11 H new ATOM 0 HZ1 LYS A 129 2.117 12.478 13.669 1.00 2.84 H new ATOM 0 HZ2 LYS A 129 3.773 12.521 14.042 1.00 2.84 H new ATOM 0 HZ3 LYS A 129 2.846 13.940 14.131 1.00 2.84 H new ATOM 1950 N GLU A 130 3.778 7.359 13.650 1.00 0.51 N ATOM 1951 CA GLU A 130 3.801 6.285 14.644 1.00 0.55 C ATOM 1952 C GLU A 130 4.748 5.152 14.217 1.00 0.57 C ATOM 1953 O GLU A 130 5.575 4.679 15.005 1.00 0.61 O ATOM 1954 CB GLU A 130 2.376 5.763 14.907 1.00 0.62 C ATOM 1955 CG GLU A 130 1.815 6.287 16.238 1.00 1.11 C ATOM 1956 CD GLU A 130 2.545 5.708 17.445 1.00 1.94 C ATOM 1957 OE1 GLU A 130 3.124 4.607 17.296 1.00 2.33 O ATOM 1958 OE2 GLU A 130 2.569 6.381 18.493 1.00 3.23 O ATOM 0 H GLU A 130 2.846 7.619 13.327 1.00 0.51 H new ATOM 0 HA GLU A 130 4.187 6.692 15.579 1.00 0.55 H new ATOM 0 HB2 GLU A 130 1.721 6.067 14.091 1.00 0.62 H new ATOM 0 HB3 GLU A 130 2.384 4.673 14.920 1.00 0.62 H new ATOM 0 HG2 GLU A 130 1.891 7.374 16.258 1.00 1.11 H new ATOM 0 HG3 GLU A 130 0.755 6.040 16.305 1.00 1.11 H new ATOM 1965 N ALA A 131 4.644 4.722 12.959 1.00 0.56 N ATOM 1966 CA ALA A 131 5.436 3.635 12.417 1.00 0.60 C ATOM 1967 C ALA A 131 6.924 3.974 12.477 1.00 0.58 C ATOM 1968 O ALA A 131 7.710 3.223 13.054 1.00 0.62 O ATOM 1969 CB ALA A 131 4.983 3.319 10.987 1.00 0.62 C ATOM 0 H ALA A 131 3.996 5.129 12.285 1.00 0.56 H new ATOM 0 HA ALA A 131 5.281 2.742 13.023 1.00 0.60 H new ATOM 0 HB1 ALA A 131 5.583 2.501 10.588 1.00 0.62 H new ATOM 0 HB2 ALA A 131 3.932 3.028 10.994 1.00 0.62 H new ATOM 0 HB3 ALA A 131 5.111 4.202 10.361 1.00 0.62 H new ATOM 1975 N VAL A 132 7.333 5.100 11.890 1.00 0.56 N ATOM 1976 CA VAL A 132 8.737 5.447 11.788 1.00 0.59 C ATOM 1977 C VAL A 132 9.316 5.766 13.168 1.00 0.64 C ATOM 1978 O VAL A 132 10.484 5.478 13.444 1.00 0.69 O ATOM 1979 CB VAL A 132 8.907 6.575 10.765 1.00 0.59 C ATOM 1980 CG1 VAL A 132 8.573 7.933 11.395 1.00 1.62 C ATOM 1981 CG2 VAL A 132 10.331 6.536 10.205 1.00 1.61 C ATOM 0 H VAL A 132 6.701 5.786 11.478 1.00 0.56 H new ATOM 0 HA VAL A 132 9.314 4.598 11.421 1.00 0.59 H new ATOM 0 HB VAL A 132 8.210 6.432 9.939 1.00 0.59 H new ATOM 0 HG11 VAL A 132 8.700 8.720 10.652 1.00 1.62 H new ATOM 0 HG12 VAL A 132 7.541 7.928 11.745 1.00 1.62 H new ATOM 0 HG13 VAL A 132 9.240 8.118 12.237 1.00 1.62 H new ATOM 0 HG21 VAL A 132 10.457 7.337 9.476 1.00 1.61 H new ATOM 0 HG22 VAL A 132 11.045 6.669 11.018 1.00 1.61 H new ATOM 0 HG23 VAL A 132 10.506 5.575 9.722 1.00 1.61 H new ATOM 1991 N ASP A 133 8.477 6.303 14.059 1.00 0.66 N ATOM 1992 CA ASP A 133 8.824 6.479 15.445 1.00 0.71 C ATOM 1993 C ASP A 133 9.108 5.104 16.046 1.00 0.70 C ATOM 1994 O ASP A 133 10.091 4.923 16.757 1.00 0.68 O ATOM 1995 CB ASP A 133 7.685 7.193 16.184 1.00 0.79 C ATOM 1996 CG ASP A 133 7.544 8.683 15.865 1.00 1.91 C ATOM 1997 OD1 ASP A 133 8.380 9.213 15.101 1.00 2.50 O ATOM 1998 OD2 ASP A 133 6.587 9.276 16.410 1.00 2.96 O ATOM 0 H ASP A 133 7.538 6.624 13.824 1.00 0.66 H new ATOM 0 HA ASP A 133 9.714 7.101 15.543 1.00 0.71 H new ATOM 0 HB2 ASP A 133 6.746 6.694 15.943 1.00 0.79 H new ATOM 0 HB3 ASP A 133 7.840 7.079 17.257 1.00 0.79 H new ATOM 2003 N LYS A 134 8.276 4.106 15.724 1.00 0.75 N ATOM 2004 CA LYS A 134 8.519 2.723 16.119 1.00 0.79 C ATOM 2005 C LYS A 134 9.836 2.182 15.536 1.00 0.75 C ATOM 2006 O LYS A 134 10.527 1.422 16.208 1.00 0.84 O ATOM 2007 CB LYS A 134 7.314 1.825 15.769 1.00 0.83 C ATOM 2008 CG LYS A 134 6.779 1.044 16.979 1.00 0.94 C ATOM 2009 CD LYS A 134 5.671 1.753 17.782 1.00 1.45 C ATOM 2010 CE LYS A 134 6.062 3.091 18.436 1.00 3.18 C ATOM 2011 NZ LYS A 134 5.707 4.260 17.605 1.00 4.45 N ATOM 0 H LYS A 134 7.421 4.239 15.185 1.00 0.75 H new ATOM 0 HA LYS A 134 8.632 2.705 17.203 1.00 0.79 H new ATOM 0 HB2 LYS A 134 6.515 2.442 15.359 1.00 0.83 H new ATOM 0 HB3 LYS A 134 7.606 1.122 14.989 1.00 0.83 H new ATOM 0 HG2 LYS A 134 6.396 0.085 16.631 1.00 0.94 H new ATOM 0 HG3 LYS A 134 7.611 0.830 17.650 1.00 0.94 H new ATOM 0 HD2 LYS A 134 4.825 1.930 17.118 1.00 1.45 H new ATOM 0 HD3 LYS A 134 5.327 1.076 18.564 1.00 1.45 H new ATOM 0 HE2 LYS A 134 5.568 3.175 19.404 1.00 3.18 H new ATOM 0 HE3 LYS A 134 7.135 3.098 18.625 1.00 3.18 H new ATOM 0 HZ1 LYS A 134 6.271 5.082 17.903 1.00 4.45 H new ATOM 0 HZ2 LYS A 134 5.905 4.049 16.606 1.00 4.45 H new ATOM 0 HZ3 LYS A 134 4.696 4.474 17.720 1.00 4.45 H new ATOM 2025 N LEU A 135 10.199 2.562 14.305 1.00 0.70 N ATOM 2026 CA LEU A 135 11.528 2.260 13.763 1.00 0.69 C ATOM 2027 C LEU A 135 12.640 3.010 14.509 1.00 0.65 C ATOM 2028 O LEU A 135 13.802 2.613 14.427 1.00 0.78 O ATOM 2029 CB LEU A 135 11.626 2.572 12.260 1.00 0.73 C ATOM 2030 CG LEU A 135 11.119 1.480 11.309 1.00 0.79 C ATOM 2031 CD1 LEU A 135 11.897 0.169 11.486 1.00 0.59 C ATOM 2032 CD2 LEU A 135 9.608 1.277 11.431 1.00 1.14 C ATOM 0 H LEU A 135 9.592 3.078 13.667 1.00 0.70 H new ATOM 0 HA LEU A 135 11.669 1.189 13.908 1.00 0.69 H new ATOM 0 HB2 LEU A 135 11.066 3.486 12.062 1.00 0.73 H new ATOM 0 HB3 LEU A 135 12.669 2.779 12.020 1.00 0.73 H new ATOM 0 HG LEU A 135 11.307 1.824 10.292 1.00 0.79 H new ATOM 0 HD11 LEU A 135 11.509 -0.580 10.796 1.00 0.59 H new ATOM 0 HD12 LEU A 135 12.953 0.342 11.278 1.00 0.59 H new ATOM 0 HD13 LEU A 135 11.782 -0.187 12.510 1.00 0.59 H new ATOM 0 HD21 LEU A 135 9.289 0.496 10.741 1.00 1.14 H new ATOM 0 HD22 LEU A 135 9.362 0.983 12.451 1.00 1.14 H new ATOM 0 HD23 LEU A 135 9.095 2.207 11.188 1.00 1.14 H new ATOM 2044 N GLY A 136 12.307 4.095 15.209 1.00 0.56 N ATOM 2045 CA GLY A 136 13.261 4.893 15.957 1.00 0.59 C ATOM 2046 C GLY A 136 14.023 5.855 15.051 1.00 0.59 C ATOM 2047 O GLY A 136 15.169 6.185 15.347 1.00 0.65 O ATOM 0 H GLY A 136 11.350 4.444 15.269 1.00 0.56 H new ATOM 0 HA2 GLY A 136 12.738 5.457 16.729 1.00 0.59 H new ATOM 0 HA3 GLY A 136 13.966 4.236 16.465 1.00 0.59 H new ATOM 2051 N TYR A 137 13.389 6.324 13.966 1.00 0.64 N ATOM 2052 CA TYR A 137 13.901 7.434 13.162 1.00 0.68 C ATOM 2053 C TYR A 137 12.885 8.574 13.261 1.00 0.72 C ATOM 2054 O TYR A 137 12.172 8.655 14.257 1.00 0.97 O ATOM 2055 CB TYR A 137 14.192 6.981 11.719 1.00 0.66 C ATOM 2056 CG TYR A 137 14.920 5.653 11.596 1.00 0.67 C ATOM 2057 CD1 TYR A 137 15.995 5.346 12.451 1.00 1.71 C ATOM 2058 CD2 TYR A 137 14.441 4.669 10.711 1.00 2.14 C ATOM 2059 CE1 TYR A 137 16.424 4.015 12.588 1.00 1.59 C ATOM 2060 CE2 TYR A 137 14.954 3.361 10.765 1.00 2.30 C ATOM 2061 CZ TYR A 137 15.884 3.017 11.760 1.00 0.90 C ATOM 2062 OH TYR A 137 16.277 1.719 11.904 1.00 1.13 O ATOM 0 H TYR A 137 12.507 5.942 13.625 1.00 0.64 H new ATOM 0 HA TYR A 137 14.860 7.792 13.537 1.00 0.68 H new ATOM 0 HB2 TYR A 137 13.248 6.912 11.179 1.00 0.66 H new ATOM 0 HB3 TYR A 137 14.786 7.750 11.226 1.00 0.66 H new ATOM 0 HD1 TYR A 137 16.490 6.133 13.001 1.00 1.71 H new ATOM 0 HD2 TYR A 137 13.678 4.919 9.989 1.00 2.14 H new ATOM 0 HE1 TYR A 137 17.168 3.760 13.329 1.00 1.59 H new ATOM 0 HE2 TYR A 137 14.634 2.623 10.044 1.00 2.30 H new ATOM 0 HH TYR A 137 15.805 1.160 11.252 1.00 1.13 H new ATOM 2072 N LYS A 138 12.801 9.454 12.260 1.00 0.76 N ATOM 2073 CA LYS A 138 11.782 10.491 12.226 1.00 0.77 C ATOM 2074 C LYS A 138 11.495 10.839 10.769 1.00 0.68 C ATOM 2075 O LYS A 138 12.392 10.741 9.927 1.00 0.76 O ATOM 2076 CB LYS A 138 12.233 11.726 13.026 1.00 1.02 C ATOM 2077 CG LYS A 138 13.628 12.216 12.609 1.00 1.24 C ATOM 2078 CD LYS A 138 14.723 11.830 13.618 1.00 2.13 C ATOM 2079 CE LYS A 138 14.877 12.873 14.737 1.00 2.48 C ATOM 2080 NZ LYS A 138 15.487 14.132 14.257 1.00 2.83 N ATOM 0 H LYS A 138 13.434 9.464 11.460 1.00 0.76 H new ATOM 0 HA LYS A 138 10.866 10.130 12.694 1.00 0.77 H new ATOM 0 HB2 LYS A 138 11.511 12.530 12.885 1.00 1.02 H new ATOM 0 HB3 LYS A 138 12.238 11.485 14.089 1.00 1.02 H new ATOM 0 HG2 LYS A 138 13.877 11.800 11.633 1.00 1.24 H new ATOM 0 HG3 LYS A 138 13.609 13.300 12.498 1.00 1.24 H new ATOM 0 HD2 LYS A 138 14.485 10.861 14.057 1.00 2.13 H new ATOM 0 HD3 LYS A 138 15.673 11.718 13.095 1.00 2.13 H new ATOM 0 HE2 LYS A 138 13.898 13.088 15.166 1.00 2.48 H new ATOM 0 HE3 LYS A 138 15.491 12.457 15.535 1.00 2.48 H new ATOM 0 HZ1 LYS A 138 15.282 14.896 14.932 1.00 2.83 H new ATOM 0 HZ2 LYS A 138 16.516 14.010 14.174 1.00 2.83 H new ATOM 0 HZ3 LYS A 138 15.092 14.377 13.327 1.00 2.83 H new ATOM 2094 N LEU A 139 10.253 11.248 10.491 1.00 0.72 N ATOM 2095 CA LEU A 139 9.836 11.753 9.194 1.00 0.79 C ATOM 2096 C LEU A 139 9.433 13.217 9.324 1.00 0.80 C ATOM 2097 O LEU A 139 9.004 13.669 10.385 1.00 0.92 O ATOM 2098 CB LEU A 139 8.658 10.950 8.636 1.00 1.00 C ATOM 2099 CG LEU A 139 9.067 9.549 8.170 1.00 0.67 C ATOM 2100 CD1 LEU A 139 7.800 8.745 7.883 1.00 1.22 C ATOM 2101 CD2 LEU A 139 9.934 9.527 6.913 1.00 1.47 C ATOM 0 H LEU A 139 9.500 11.234 11.179 1.00 0.72 H new ATOM 0 HA LEU A 139 10.675 11.654 8.505 1.00 0.79 H new ATOM 0 HB2 LEU A 139 7.887 10.863 9.402 1.00 1.00 H new ATOM 0 HB3 LEU A 139 8.217 11.493 7.800 1.00 1.00 H new ATOM 0 HG LEU A 139 9.668 9.124 8.974 1.00 0.67 H new ATOM 0 HD11 LEU A 139 8.072 7.744 7.550 1.00 1.22 H new ATOM 0 HD12 LEU A 139 7.200 8.675 8.790 1.00 1.22 H new ATOM 0 HD13 LEU A 139 7.222 9.242 7.104 1.00 1.22 H new ATOM 0 HD21 LEU A 139 10.176 8.496 6.656 1.00 1.47 H new ATOM 0 HD22 LEU A 139 9.391 9.989 6.088 1.00 1.47 H new ATOM 0 HD23 LEU A 139 10.855 10.081 7.096 1.00 1.47 H new ATOM 2113 N LYS A 140 9.551 13.931 8.211 1.00 0.74 N ATOM 2114 CA LYS A 140 9.172 15.312 7.991 1.00 0.77 C ATOM 2115 C LYS A 140 8.267 15.324 6.762 1.00 0.71 C ATOM 2116 O LYS A 140 8.365 14.439 5.918 1.00 0.80 O ATOM 2117 CB LYS A 140 10.449 16.120 7.734 1.00 0.82 C ATOM 2118 CG LYS A 140 11.241 16.356 9.024 1.00 1.03 C ATOM 2119 CD LYS A 140 10.899 17.712 9.650 1.00 1.24 C ATOM 2120 CE LYS A 140 11.732 18.810 8.973 1.00 2.23 C ATOM 2121 NZ LYS A 140 11.242 20.165 9.297 1.00 2.48 N ATOM 0 H LYS A 140 9.950 13.517 7.368 1.00 0.74 H new ATOM 0 HA LYS A 140 8.651 15.746 8.844 1.00 0.77 H new ATOM 0 HB2 LYS A 140 11.075 15.592 7.015 1.00 0.82 H new ATOM 0 HB3 LYS A 140 10.189 17.079 7.286 1.00 0.82 H new ATOM 0 HG2 LYS A 140 11.025 15.560 9.736 1.00 1.03 H new ATOM 0 HG3 LYS A 140 12.309 16.311 8.810 1.00 1.03 H new ATOM 0 HD2 LYS A 140 9.836 17.922 9.532 1.00 1.24 H new ATOM 0 HD3 LYS A 140 11.103 17.693 10.720 1.00 1.24 H new ATOM 0 HE2 LYS A 140 12.772 18.718 9.285 1.00 2.23 H new ATOM 0 HE3 LYS A 140 11.709 18.666 7.893 1.00 2.23 H new ATOM 0 HZ1 LYS A 140 11.835 20.872 8.818 1.00 2.48 H new ATOM 0 HZ2 LYS A 140 10.258 20.264 8.976 1.00 2.48 H new ATOM 0 HZ3 LYS A 140 11.288 20.314 10.325 1.00 2.48 H new ATOM 2135 N LEU A 141 7.366 16.298 6.659 1.00 0.67 N ATOM 2136 CA LEU A 141 6.378 16.364 5.594 1.00 0.77 C ATOM 2137 C LEU A 141 6.944 17.170 4.423 1.00 0.80 C ATOM 2138 O LEU A 141 7.403 18.294 4.634 1.00 1.01 O ATOM 2139 CB LEU A 141 5.102 17.023 6.139 1.00 0.95 C ATOM 2140 CG LEU A 141 4.509 16.335 7.388 1.00 1.26 C ATOM 2141 CD1 LEU A 141 5.152 16.784 8.711 1.00 1.69 C ATOM 2142 CD2 LEU A 141 3.013 16.660 7.463 1.00 2.01 C ATOM 0 H LEU A 141 7.304 17.071 7.322 1.00 0.67 H new ATOM 0 HA LEU A 141 6.137 15.362 5.240 1.00 0.77 H new ATOM 0 HB2 LEU A 141 5.321 18.063 6.382 1.00 0.95 H new ATOM 0 HB3 LEU A 141 4.348 17.031 5.352 1.00 0.95 H new ATOM 0 HG LEU A 141 4.704 15.269 7.275 1.00 1.26 H new ATOM 0 HD11 LEU A 141 4.682 16.257 9.541 1.00 1.69 H new ATOM 0 HD12 LEU A 141 6.218 16.556 8.693 1.00 1.69 H new ATOM 0 HD13 LEU A 141 5.012 17.858 8.838 1.00 1.69 H new ATOM 0 HD21 LEU A 141 2.580 16.180 8.341 1.00 2.01 H new ATOM 0 HD22 LEU A 141 2.878 17.739 7.536 1.00 2.01 H new ATOM 0 HD23 LEU A 141 2.515 16.292 6.566 1.00 2.01 H new ATOM 2154 N LYS A 142 6.898 16.654 3.186 1.00 0.78 N ATOM 2155 CA LYS A 142 7.354 17.426 2.031 1.00 0.98 C ATOM 2156 C LYS A 142 6.232 18.361 1.595 1.00 1.29 C ATOM 2157 O LYS A 142 5.580 18.178 0.571 1.00 1.42 O ATOM 2158 CB LYS A 142 7.856 16.505 0.903 1.00 0.98 C ATOM 2159 CG LYS A 142 9.214 16.967 0.352 1.00 1.42 C ATOM 2160 CD LYS A 142 10.318 16.831 1.416 1.00 1.86 C ATOM 2161 CE LYS A 142 11.135 18.126 1.587 1.00 2.89 C ATOM 2162 NZ LYS A 142 12.011 18.111 2.782 1.00 4.72 N ATOM 0 H LYS A 142 6.554 15.719 2.966 1.00 0.78 H new ATOM 0 HA LYS A 142 8.215 18.037 2.303 1.00 0.98 H new ATOM 0 HB2 LYS A 142 7.944 15.485 1.278 1.00 0.98 H new ATOM 0 HB3 LYS A 142 7.124 16.486 0.096 1.00 0.98 H new ATOM 0 HG2 LYS A 142 9.475 16.375 -0.525 1.00 1.42 H new ATOM 0 HG3 LYS A 142 9.144 18.005 0.026 1.00 1.42 H new ATOM 0 HD2 LYS A 142 9.867 16.561 2.371 1.00 1.86 H new ATOM 0 HD3 LYS A 142 10.987 16.017 1.138 1.00 1.86 H new ATOM 0 HE2 LYS A 142 11.747 18.282 0.698 1.00 2.89 H new ATOM 0 HE3 LYS A 142 10.452 18.972 1.656 1.00 2.89 H new ATOM 0 HZ1 LYS A 142 12.546 19.002 2.832 1.00 4.72 H new ATOM 0 HZ2 LYS A 142 11.429 18.008 3.638 1.00 4.72 H new ATOM 0 HZ3 LYS A 142 12.674 17.312 2.716 1.00 4.72 H new