USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1091 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 88 CYS SG : rot 180:sc= 0.451 USER MOD Set 1.2: A 137 TYR OH : rot -132:sc= 0.493 USER MOD Set 2.1: A 20 CYS SG : rot -98:sc= 2.41 USER MOD Set 2.2: A 69 TYR OH : rot -63:sc= 0.392 USER MOD Set 3.1: A 50 TYR OH : rot 14:sc= 2.15 USER MOD Set 3.2: A 57 THR OG1 : rot -20:sc= 0.89 USER MOD Set 3.3: A 98 LYS NZ :NH3+ -169:sc= 2.11 (180deg=0) USER MOD Set 4.1: A 5 GLN : amide:sc= 0.224 X(o=0.53,f=0.49) USER MOD Set 4.2: A 35 THR OG1 : rot 150:sc= 0.305 USER MOD Set 5.1: A 31 MET CE :methyl -168:sc= 0 (180deg=-0.0959) USER MOD Set 5.2: A 55 THR OG1 : rot 25:sc= 0.79 USER MOD Single : A 6 LYS NZ :NH3+ 155:sc= 0.576 (180deg=-0.074!) USER MOD Single : A 10 MET CE :methyl 173:sc= -0.197 (180deg=-0.364) USER MOD Single : A 11 GLN : amide:sc= -2.08! C(o=-2.1!,f=-4.5!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 170:sc= -0.0135 (180deg=-0.123) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 12:sc= 0.172 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0.457 X(o=0.46,f=-0.025) USER MOD Single : A 40 ASN : amide:sc= 0.685 K(o=0.69,f=-4.2!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.675 K(o=0.67,f=-0.026) USER MOD Single : A 61 GLN : amide:sc= 0.0633 K(o=0.063,f=-4.8!) USER MOD Single : A 63 LYS NZ :NH3+ -160:sc= 0.666 (180deg=0.428) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc=-0.00256 X(o=-0.0026,f=0) USER MOD Single : A 73 THR OG1 : rot 39:sc= 0.346 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 165:sc= -0.245 (180deg=-0.761) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 180:sc= -0.0313 USER MOD Single : A 90 ASN : amide:sc= 0.403 X(o=0.4,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0.336 K(o=0.34,f=-1.2) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 ASN : amide:sc= 0.29 K(o=0.29,f=-10!) USER MOD Single : A 113 THR OG1 : rot 35:sc= 0.518 USER MOD Single : A 115 THR OG1 : rot -86:sc= 1.25 USER MOD Single : A 118 TYR OH : rot 162:sc= 0.435 USER MOD Single : A 119 ASN : amide:sc= -0.143 K(o=-0.14,f=-0.66) USER MOD Single : A 121 LYS NZ :NH3+ -148:sc= 2.47 (180deg=0.0627) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ -154:sc= 0.932 (180deg=0.518) USER MOD Single : A 138 LYS NZ :NH3+ -143:sc= 1.23 (180deg=0.803) USER MOD Single : A 140 LYS NZ :NH3+ -112:sc= 1.22 (180deg=-0.0651) USER MOD Single : A 142 LYS NZ :NH3+ -162:sc= 1.27 (180deg=1.13) USER MOD Single : A 145 GLN : amide:sc= 0.632 K(o=0.63,f=-0.42) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 65 N GLN A 5 14.462 8.599 -1.488 1.00 1.79 N ATOM 66 CA GLN A 5 14.220 7.256 -1.992 1.00 1.68 C ATOM 67 C GLN A 5 13.126 6.635 -1.121 1.00 1.64 C ATOM 68 O GLN A 5 13.343 6.366 0.060 1.00 1.71 O ATOM 69 CB GLN A 5 15.508 6.417 -1.978 1.00 1.58 C ATOM 70 CG GLN A 5 16.572 6.951 -2.949 1.00 1.94 C ATOM 71 CD GLN A 5 17.826 6.081 -2.919 1.00 2.23 C ATOM 72 OE1 GLN A 5 18.635 6.170 -2.006 1.00 2.94 O ATOM 73 NE2 GLN A 5 18.016 5.201 -3.879 1.00 2.66 N ATOM 0 HA GLN A 5 13.895 7.288 -3.032 1.00 1.68 H new ATOM 0 HB2 GLN A 5 15.917 6.404 -0.968 1.00 1.58 H new ATOM 0 HB3 GLN A 5 15.268 5.386 -2.239 1.00 1.58 H new ATOM 0 HG2 GLN A 5 16.167 6.976 -3.960 1.00 1.94 H new ATOM 0 HG3 GLN A 5 16.830 7.976 -2.684 1.00 1.94 H new ATOM 0 HE21 GLN A 5 17.343 5.125 -4.642 1.00 2.66 H new ATOM 0 HE22 GLN A 5 18.836 4.595 -3.860 1.00 2.66 H new ATOM 82 N LYS A 6 11.934 6.470 -1.692 1.00 1.73 N ATOM 83 CA LYS A 6 10.730 5.978 -1.018 1.00 1.91 C ATOM 84 C LYS A 6 10.359 4.550 -1.453 1.00 1.70 C ATOM 85 O LYS A 6 10.900 4.007 -2.414 1.00 1.47 O ATOM 86 CB LYS A 6 9.589 6.987 -1.253 1.00 2.44 C ATOM 87 CG LYS A 6 9.778 8.370 -0.592 1.00 3.36 C ATOM 88 CD LYS A 6 9.694 8.362 0.945 1.00 2.76 C ATOM 89 CE LYS A 6 11.025 8.006 1.623 1.00 3.22 C ATOM 90 NZ LYS A 6 10.823 7.108 2.780 1.00 3.47 N ATOM 0 H LYS A 6 11.772 6.684 -2.676 1.00 1.73 H new ATOM 0 HA LYS A 6 10.921 5.904 0.053 1.00 1.91 H new ATOM 0 HB2 LYS A 6 9.470 7.130 -2.327 1.00 2.44 H new ATOM 0 HB3 LYS A 6 8.660 6.551 -0.884 1.00 2.44 H new ATOM 0 HG2 LYS A 6 10.748 8.770 -0.888 1.00 3.36 H new ATOM 0 HG3 LYS A 6 9.020 9.051 -0.981 1.00 3.36 H new ATOM 0 HD2 LYS A 6 9.370 9.344 1.290 1.00 2.76 H new ATOM 0 HD3 LYS A 6 8.932 7.647 1.257 1.00 2.76 H new ATOM 0 HE2 LYS A 6 11.685 7.526 0.900 1.00 3.22 H new ATOM 0 HE3 LYS A 6 11.522 8.919 1.952 1.00 3.22 H new ATOM 0 HZ1 LYS A 6 11.690 6.560 2.950 1.00 3.47 H new ATOM 0 HZ2 LYS A 6 10.600 7.674 3.624 1.00 3.47 H new ATOM 0 HZ3 LYS A 6 10.036 6.458 2.581 1.00 3.47 H new ATOM 104 N GLU A 7 9.456 3.927 -0.701 1.00 1.99 N ATOM 105 CA GLU A 7 9.313 2.476 -0.588 1.00 1.72 C ATOM 106 C GLU A 7 7.864 1.995 -0.773 1.00 1.80 C ATOM 107 O GLU A 7 6.901 2.718 -0.505 1.00 2.26 O ATOM 108 CB GLU A 7 9.879 2.020 0.776 1.00 2.01 C ATOM 109 CG GLU A 7 9.265 2.672 2.035 1.00 2.67 C ATOM 110 CD GLU A 7 9.778 4.092 2.298 1.00 3.86 C ATOM 111 OE1 GLU A 7 9.203 5.064 1.755 1.00 5.27 O ATOM 112 OE2 GLU A 7 10.791 4.262 3.009 1.00 4.03 O ATOM 0 H GLU A 7 8.779 4.436 -0.133 1.00 1.99 H new ATOM 0 HA GLU A 7 9.880 2.020 -1.400 1.00 1.72 H new ATOM 0 HB2 GLU A 7 9.750 0.941 0.854 1.00 2.01 H new ATOM 0 HB3 GLU A 7 10.952 2.214 0.781 1.00 2.01 H new ATOM 0 HG2 GLU A 7 8.181 2.700 1.928 1.00 2.67 H new ATOM 0 HG3 GLU A 7 9.484 2.048 2.902 1.00 2.67 H new ATOM 119 N ILE A 8 7.707 0.760 -1.261 1.00 1.48 N ATOM 120 CA ILE A 8 6.445 0.006 -1.327 1.00 1.51 C ATOM 121 C ILE A 8 6.747 -1.491 -1.486 1.00 1.32 C ATOM 122 O ILE A 8 7.702 -1.863 -2.178 1.00 1.20 O ATOM 123 CB ILE A 8 5.508 0.546 -2.441 1.00 1.63 C ATOM 124 CG1 ILE A 8 4.073 -0.011 -2.289 1.00 1.78 C ATOM 125 CG2 ILE A 8 6.064 0.281 -3.851 1.00 2.55 C ATOM 126 CD1 ILE A 8 3.078 0.555 -3.311 1.00 2.98 C ATOM 0 H ILE A 8 8.493 0.231 -1.640 1.00 1.48 H new ATOM 0 HA ILE A 8 5.902 0.144 -0.392 1.00 1.51 H new ATOM 0 HB ILE A 8 5.462 1.628 -2.317 1.00 1.63 H new ATOM 0 HG12 ILE A 8 4.102 -1.096 -2.387 1.00 1.78 H new ATOM 0 HG13 ILE A 8 3.712 0.209 -1.284 1.00 1.78 H new ATOM 0 HG21 ILE A 8 5.373 0.677 -4.595 1.00 2.55 H new ATOM 0 HG22 ILE A 8 7.032 0.770 -3.958 1.00 2.55 H new ATOM 0 HG23 ILE A 8 6.181 -0.792 -4.000 1.00 2.55 H new ATOM 0 HD11 ILE A 8 2.094 0.118 -3.141 1.00 2.98 H new ATOM 0 HD12 ILE A 8 3.018 1.638 -3.200 1.00 2.98 H new ATOM 0 HD13 ILE A 8 3.414 0.312 -4.319 1.00 2.98 H new ATOM 138 N ALA A 9 5.920 -2.339 -0.874 1.00 1.33 N ATOM 139 CA ALA A 9 5.926 -3.784 -1.064 1.00 1.20 C ATOM 140 C ALA A 9 4.483 -4.314 -1.106 1.00 1.07 C ATOM 141 O ALA A 9 3.577 -3.680 -0.560 1.00 1.34 O ATOM 142 CB ALA A 9 6.764 -4.439 0.043 1.00 1.42 C ATOM 0 H ALA A 9 5.208 -2.027 -0.214 1.00 1.33 H new ATOM 0 HA ALA A 9 6.386 -4.039 -2.019 1.00 1.20 H new ATOM 0 HB1 ALA A 9 6.770 -5.520 -0.097 1.00 1.42 H new ATOM 0 HB2 ALA A 9 7.786 -4.061 -0.002 1.00 1.42 H new ATOM 0 HB3 ALA A 9 6.332 -4.201 1.015 1.00 1.42 H new ATOM 148 N MET A 10 4.277 -5.451 -1.771 1.00 0.85 N ATOM 149 CA MET A 10 2.978 -6.086 -2.049 1.00 0.89 C ATOM 150 C MET A 10 3.142 -7.600 -2.234 1.00 1.01 C ATOM 151 O MET A 10 4.240 -8.081 -2.497 1.00 1.22 O ATOM 152 CB MET A 10 2.373 -5.469 -3.328 1.00 0.92 C ATOM 153 CG MET A 10 1.405 -4.308 -3.067 1.00 1.05 C ATOM 154 SD MET A 10 1.318 -3.171 -4.466 1.00 1.69 S ATOM 155 CE MET A 10 0.229 -1.937 -3.732 1.00 2.10 C ATOM 0 H MET A 10 5.054 -5.989 -2.155 1.00 0.85 H new ATOM 0 HA MET A 10 2.313 -5.912 -1.203 1.00 0.89 H new ATOM 0 HB2 MET A 10 3.183 -5.116 -3.966 1.00 0.92 H new ATOM 0 HB3 MET A 10 1.848 -6.248 -3.881 1.00 0.92 H new ATOM 0 HG2 MET A 10 0.411 -4.705 -2.860 1.00 1.05 H new ATOM 0 HG3 MET A 10 1.723 -3.764 -2.177 1.00 1.05 H new ATOM 0 HE1 MET A 10 0.149 -1.079 -4.399 1.00 2.10 H new ATOM 0 HE2 MET A 10 -0.759 -2.370 -3.578 1.00 2.10 H new ATOM 0 HE3 MET A 10 0.638 -1.615 -2.774 1.00 2.10 H new ATOM 165 N GLN A 11 2.046 -8.354 -2.163 1.00 1.04 N ATOM 166 CA GLN A 11 1.986 -9.721 -2.688 1.00 1.03 C ATOM 167 C GLN A 11 1.856 -9.646 -4.215 1.00 1.16 C ATOM 168 O GLN A 11 1.085 -8.818 -4.687 1.00 1.27 O ATOM 169 CB GLN A 11 0.761 -10.417 -2.059 1.00 0.95 C ATOM 170 CG GLN A 11 0.416 -11.802 -2.643 1.00 1.35 C ATOM 171 CD GLN A 11 -0.819 -11.807 -3.555 1.00 2.43 C ATOM 172 OE1 GLN A 11 -1.752 -12.568 -3.350 1.00 2.70 O ATOM 173 NE2 GLN A 11 -0.909 -10.963 -4.562 1.00 3.87 N ATOM 0 H GLN A 11 1.174 -8.036 -1.740 1.00 1.04 H new ATOM 0 HA GLN A 11 2.883 -10.289 -2.442 1.00 1.03 H new ATOM 0 HB2 GLN A 11 0.936 -10.526 -0.989 1.00 0.95 H new ATOM 0 HB3 GLN A 11 -0.105 -9.766 -2.176 1.00 0.95 H new ATOM 0 HG2 GLN A 11 1.273 -12.170 -3.207 1.00 1.35 H new ATOM 0 HG3 GLN A 11 0.251 -12.500 -1.822 1.00 1.35 H new ATOM 0 HE21 GLN A 11 -0.144 -10.316 -4.755 1.00 3.87 H new ATOM 0 HE22 GLN A 11 -1.744 -10.956 -5.148 1.00 3.87 H new ATOM 182 N VAL A 12 2.508 -10.530 -4.980 1.00 1.34 N ATOM 183 CA VAL A 12 2.252 -10.690 -6.426 1.00 1.42 C ATOM 184 C VAL A 12 1.891 -12.141 -6.777 1.00 1.47 C ATOM 185 O VAL A 12 2.711 -13.051 -6.692 1.00 1.63 O ATOM 186 CB VAL A 12 3.409 -10.124 -7.286 1.00 1.54 C ATOM 187 CG1 VAL A 12 4.790 -10.757 -7.026 1.00 1.84 C ATOM 188 CG2 VAL A 12 3.070 -10.213 -8.782 1.00 1.54 C ATOM 0 H VAL A 12 3.228 -11.156 -4.619 1.00 1.34 H new ATOM 0 HA VAL A 12 1.377 -10.089 -6.675 1.00 1.42 H new ATOM 0 HB VAL A 12 3.498 -9.083 -6.975 1.00 1.54 H new ATOM 0 HG11 VAL A 12 5.531 -10.293 -7.677 1.00 1.84 H new ATOM 0 HG12 VAL A 12 5.072 -10.600 -5.985 1.00 1.84 H new ATOM 0 HG13 VAL A 12 4.745 -11.826 -7.232 1.00 1.84 H new ATOM 0 HG21 VAL A 12 3.897 -9.810 -9.367 1.00 1.54 H new ATOM 0 HG22 VAL A 12 2.905 -11.255 -9.056 1.00 1.54 H new ATOM 0 HG23 VAL A 12 2.167 -9.637 -8.985 1.00 1.54 H new ATOM 198 N SER A 13 0.639 -12.359 -7.180 1.00 1.49 N ATOM 199 CA SER A 13 0.092 -13.672 -7.536 1.00 1.53 C ATOM 200 C SER A 13 0.071 -13.885 -9.063 1.00 1.37 C ATOM 201 O SER A 13 -0.059 -12.940 -9.845 1.00 1.48 O ATOM 202 CB SER A 13 -1.317 -13.823 -6.942 1.00 1.85 C ATOM 203 OG SER A 13 -1.755 -15.170 -7.033 1.00 2.23 O ATOM 0 H SER A 13 -0.044 -11.607 -7.271 1.00 1.49 H new ATOM 0 HA SER A 13 0.742 -14.440 -7.116 1.00 1.53 H new ATOM 0 HB2 SER A 13 -1.314 -13.505 -5.899 1.00 1.85 H new ATOM 0 HB3 SER A 13 -2.013 -13.172 -7.472 1.00 1.85 H new ATOM 0 HG SER A 13 -2.653 -15.249 -6.649 1.00 2.23 H new ATOM 209 N GLY A 14 0.198 -15.139 -9.512 1.00 1.31 N ATOM 210 CA GLY A 14 0.271 -15.515 -10.930 1.00 1.32 C ATOM 211 C GLY A 14 1.705 -15.700 -11.424 1.00 1.19 C ATOM 212 O GLY A 14 1.934 -15.761 -12.630 1.00 1.23 O ATOM 0 H GLY A 14 0.254 -15.941 -8.884 1.00 1.31 H new ATOM 0 HA2 GLY A 14 -0.283 -16.441 -11.084 1.00 1.32 H new ATOM 0 HA3 GLY A 14 -0.218 -14.747 -11.530 1.00 1.32 H new ATOM 216 N MET A 15 2.675 -15.810 -10.511 1.00 1.14 N ATOM 217 CA MET A 15 4.072 -16.088 -10.846 1.00 1.15 C ATOM 218 C MET A 15 4.288 -17.537 -11.295 1.00 1.24 C ATOM 219 O MET A 15 3.684 -18.475 -10.772 1.00 2.64 O ATOM 220 CB MET A 15 4.992 -15.783 -9.655 1.00 1.41 C ATOM 221 CG MET A 15 5.330 -14.294 -9.551 1.00 1.55 C ATOM 222 SD MET A 15 6.550 -13.929 -8.262 1.00 2.13 S ATOM 223 CE MET A 15 8.055 -14.526 -9.074 1.00 3.35 C ATOM 0 H MET A 15 2.509 -15.707 -9.510 1.00 1.14 H new ATOM 0 HA MET A 15 4.324 -15.434 -11.681 1.00 1.15 H new ATOM 0 HB2 MET A 15 4.510 -16.110 -8.733 1.00 1.41 H new ATOM 0 HB3 MET A 15 5.913 -16.357 -9.754 1.00 1.41 H new ATOM 0 HG2 MET A 15 5.710 -13.946 -10.511 1.00 1.55 H new ATOM 0 HG3 MET A 15 4.417 -13.734 -9.348 1.00 1.55 H new ATOM 0 HE1 MET A 15 8.927 -14.218 -8.496 1.00 3.35 H new ATOM 0 HE2 MET A 15 8.027 -15.614 -9.137 1.00 3.35 H new ATOM 0 HE3 MET A 15 8.118 -14.106 -10.078 1.00 3.35 H new ATOM 233 N THR A 16 5.224 -17.695 -12.230 1.00 1.74 N ATOM 234 CA THR A 16 5.708 -18.947 -12.812 1.00 2.08 C ATOM 235 C THR A 16 7.224 -18.805 -12.941 1.00 2.58 C ATOM 236 O THR A 16 7.723 -18.106 -13.824 1.00 3.90 O ATOM 237 CB THR A 16 5.038 -19.200 -14.172 1.00 3.36 C ATOM 238 OG1 THR A 16 3.645 -19.000 -14.074 1.00 3.37 O ATOM 239 CG2 THR A 16 5.275 -20.627 -14.656 1.00 4.36 C ATOM 0 H THR A 16 5.701 -16.888 -12.632 1.00 1.74 H new ATOM 0 HA THR A 16 5.461 -19.805 -12.187 1.00 2.08 H new ATOM 0 HB THR A 16 5.479 -18.500 -14.881 1.00 3.36 H new ATOM 0 HG1 THR A 16 3.229 -19.162 -14.946 1.00 3.37 H new ATOM 0 HG21 THR A 16 4.787 -20.770 -15.620 1.00 4.36 H new ATOM 0 HG22 THR A 16 6.346 -20.802 -14.762 1.00 4.36 H new ATOM 0 HG23 THR A 16 4.862 -21.330 -13.933 1.00 4.36 H new ATOM 247 N CYS A 17 7.942 -19.401 -11.986 1.00 2.77 N ATOM 248 CA CYS A 17 9.398 -19.372 -11.818 1.00 3.85 C ATOM 249 C CYS A 17 9.952 -17.944 -11.591 1.00 3.50 C ATOM 250 O CYS A 17 9.223 -16.950 -11.525 1.00 4.14 O ATOM 251 CB CYS A 17 10.029 -20.126 -13.008 1.00 4.85 C ATOM 252 SG CYS A 17 11.706 -20.704 -12.609 1.00 6.82 S ATOM 0 H CYS A 17 7.490 -19.955 -11.259 1.00 2.77 H new ATOM 0 HA CYS A 17 9.680 -19.887 -10.899 1.00 3.85 H new ATOM 0 HB2 CYS A 17 9.403 -20.977 -13.275 1.00 4.85 H new ATOM 0 HB3 CYS A 17 10.065 -19.471 -13.878 1.00 4.85 H new ATOM 0 HG CYS A 17 11.916 -20.579 -11.332 1.00 6.82 H new ATOM 258 N ALA A 18 11.279 -17.833 -11.541 1.00 3.35 N ATOM 259 CA ALA A 18 12.010 -16.570 -11.597 1.00 2.95 C ATOM 260 C ALA A 18 11.777 -15.800 -12.915 1.00 2.09 C ATOM 261 O ALA A 18 12.134 -14.629 -13.003 1.00 2.09 O ATOM 262 CB ALA A 18 13.495 -16.878 -11.364 1.00 3.67 C ATOM 0 H ALA A 18 11.892 -18.644 -11.458 1.00 3.35 H new ATOM 0 HA ALA A 18 11.638 -15.904 -10.818 1.00 2.95 H new ATOM 0 HB1 ALA A 18 14.069 -15.952 -11.400 1.00 3.67 H new ATOM 0 HB2 ALA A 18 13.621 -17.345 -10.387 1.00 3.67 H new ATOM 0 HB3 ALA A 18 13.852 -17.556 -12.139 1.00 3.67 H new ATOM 268 N ALA A 19 11.124 -16.397 -13.921 1.00 1.71 N ATOM 269 CA ALA A 19 10.841 -15.716 -15.189 1.00 1.25 C ATOM 270 C ALA A 19 9.788 -14.604 -15.032 1.00 1.14 C ATOM 271 O ALA A 19 9.863 -13.577 -15.707 1.00 1.00 O ATOM 272 CB ALA A 19 10.407 -16.773 -16.212 1.00 1.72 C ATOM 0 H ALA A 19 10.780 -17.356 -13.879 1.00 1.71 H new ATOM 0 HA ALA A 19 11.743 -15.214 -15.538 1.00 1.25 H new ATOM 0 HB1 ALA A 19 10.191 -16.290 -17.165 1.00 1.72 H new ATOM 0 HB2 ALA A 19 11.208 -17.499 -16.347 1.00 1.72 H new ATOM 0 HB3 ALA A 19 9.513 -17.282 -15.852 1.00 1.72 H new ATOM 278 N CYS A 20 8.854 -14.770 -14.091 1.00 1.36 N ATOM 279 CA CYS A 20 7.905 -13.723 -13.701 1.00 1.24 C ATOM 280 C CYS A 20 8.588 -12.578 -12.933 1.00 1.04 C ATOM 281 O CYS A 20 8.316 -11.410 -13.213 1.00 0.90 O ATOM 282 CB CYS A 20 6.742 -14.384 -12.966 1.00 1.33 C ATOM 283 SG CYS A 20 5.881 -15.421 -14.185 1.00 1.51 S ATOM 0 H CYS A 20 8.734 -15.641 -13.575 1.00 1.36 H new ATOM 0 HA CYS A 20 7.499 -13.226 -14.582 1.00 1.24 H new ATOM 0 HB2 CYS A 20 7.103 -14.985 -12.131 1.00 1.33 H new ATOM 0 HB3 CYS A 20 6.069 -13.634 -12.551 1.00 1.33 H new ATOM 0 HG CYS A 20 4.851 -14.779 -14.651 1.00 1.51 H new ATOM 289 N ALA A 21 9.551 -12.894 -12.057 1.00 1.11 N ATOM 290 CA ALA A 21 10.428 -11.892 -11.442 1.00 1.06 C ATOM 291 C ALA A 21 11.203 -11.121 -12.522 1.00 0.84 C ATOM 292 O ALA A 21 11.098 -9.899 -12.585 1.00 0.81 O ATOM 293 CB ALA A 21 11.353 -12.572 -10.420 1.00 1.36 C ATOM 0 H ALA A 21 9.743 -13.850 -11.756 1.00 1.11 H new ATOM 0 HA ALA A 21 9.829 -11.157 -10.904 1.00 1.06 H new ATOM 0 HB1 ALA A 21 12.003 -11.825 -9.965 1.00 1.36 H new ATOM 0 HB2 ALA A 21 10.752 -13.050 -9.646 1.00 1.36 H new ATOM 0 HB3 ALA A 21 11.961 -13.324 -10.923 1.00 1.36 H new ATOM 299 N ALA A 22 11.862 -11.828 -13.449 1.00 0.82 N ATOM 300 CA ALA A 22 12.576 -11.244 -14.586 1.00 0.81 C ATOM 301 C ALA A 22 11.699 -10.320 -15.458 1.00 0.83 C ATOM 302 O ALA A 22 12.194 -9.321 -15.982 1.00 1.10 O ATOM 303 CB ALA A 22 13.196 -12.382 -15.408 1.00 0.90 C ATOM 0 H ALA A 22 11.913 -12.846 -13.426 1.00 0.82 H new ATOM 0 HA ALA A 22 13.359 -10.593 -14.197 1.00 0.81 H new ATOM 0 HB1 ALA A 22 13.732 -11.965 -16.260 1.00 0.90 H new ATOM 0 HB2 ALA A 22 13.889 -12.946 -14.784 1.00 0.90 H new ATOM 0 HB3 ALA A 22 12.407 -13.045 -15.765 1.00 0.90 H new ATOM 309 N ARG A 23 10.399 -10.621 -15.601 1.00 0.77 N ATOM 310 CA ARG A 23 9.429 -9.749 -16.276 1.00 0.83 C ATOM 311 C ARG A 23 9.054 -8.500 -15.467 1.00 0.70 C ATOM 312 O ARG A 23 8.939 -7.429 -16.058 1.00 0.78 O ATOM 313 CB ARG A 23 8.163 -10.543 -16.655 1.00 0.99 C ATOM 314 CG ARG A 23 8.176 -11.026 -18.110 1.00 1.19 C ATOM 315 CD ARG A 23 8.096 -9.853 -19.102 1.00 1.43 C ATOM 316 NE ARG A 23 7.968 -10.328 -20.489 1.00 1.85 N ATOM 317 CZ ARG A 23 8.968 -10.668 -21.292 1.00 2.17 C ATOM 318 NH1 ARG A 23 10.224 -10.608 -20.906 1.00 3.13 N ATOM 319 NH2 ARG A 23 8.702 -11.093 -22.501 1.00 2.67 N ATOM 0 H ARG A 23 9.989 -11.485 -15.247 1.00 0.77 H new ATOM 0 HA ARG A 23 9.923 -9.390 -17.179 1.00 0.83 H new ATOM 0 HB2 ARG A 23 8.068 -11.403 -15.993 1.00 0.99 H new ATOM 0 HB3 ARG A 23 7.285 -9.917 -16.493 1.00 0.99 H new ATOM 0 HG2 ARG A 23 9.086 -11.597 -18.295 1.00 1.19 H new ATOM 0 HG3 ARG A 23 7.336 -11.701 -18.277 1.00 1.19 H new ATOM 0 HD2 ARG A 23 7.243 -9.221 -18.852 1.00 1.43 H new ATOM 0 HD3 ARG A 23 8.989 -9.235 -19.009 1.00 1.43 H new ATOM 0 HE ARG A 23 7.024 -10.403 -20.868 1.00 1.85 H new ATOM 0 HH11 ARG A 23 10.453 -10.293 -19.964 1.00 3.13 H new ATOM 0 HH12 ARG A 23 10.969 -10.877 -21.549 1.00 3.13 H new ATOM 0 HH21 ARG A 23 7.734 -11.160 -22.817 1.00 2.67 H new ATOM 0 HH22 ARG A 23 9.462 -11.357 -23.127 1.00 2.67 H new ATOM 333 N ILE A 24 8.855 -8.619 -14.152 1.00 0.61 N ATOM 334 CA ILE A 24 8.539 -7.481 -13.264 1.00 0.61 C ATOM 335 C ILE A 24 9.746 -6.543 -13.143 1.00 0.71 C ATOM 336 O ILE A 24 9.627 -5.356 -13.437 1.00 0.85 O ATOM 337 CB ILE A 24 8.066 -7.996 -11.879 1.00 0.67 C ATOM 338 CG1 ILE A 24 6.716 -8.742 -11.991 1.00 0.79 C ATOM 339 CG2 ILE A 24 7.932 -6.841 -10.864 1.00 0.79 C ATOM 340 CD1 ILE A 24 6.430 -9.665 -10.800 1.00 2.53 C ATOM 0 H ILE A 24 8.908 -9.512 -13.663 1.00 0.61 H new ATOM 0 HA ILE A 24 7.722 -6.905 -13.699 1.00 0.61 H new ATOM 0 HB ILE A 24 8.827 -8.690 -11.522 1.00 0.67 H new ATOM 0 HG12 ILE A 24 5.912 -8.011 -12.076 1.00 0.79 H new ATOM 0 HG13 ILE A 24 6.710 -9.332 -12.908 1.00 0.79 H new ATOM 0 HG21 ILE A 24 7.599 -7.237 -9.905 1.00 0.79 H new ATOM 0 HG22 ILE A 24 8.898 -6.352 -10.739 1.00 0.79 H new ATOM 0 HG23 ILE A 24 7.204 -6.117 -11.230 1.00 0.79 H new ATOM 0 HD11 ILE A 24 5.468 -10.157 -10.943 1.00 2.53 H new ATOM 0 HD12 ILE A 24 7.215 -10.418 -10.726 1.00 2.53 H new ATOM 0 HD13 ILE A 24 6.404 -9.077 -9.882 1.00 2.53 H new ATOM 352 N GLU A 25 10.898 -7.078 -12.740 1.00 0.68 N ATOM 353 CA GLU A 25 12.084 -6.307 -12.355 1.00 0.71 C ATOM 354 C GLU A 25 12.610 -5.470 -13.532 1.00 0.79 C ATOM 355 O GLU A 25 12.806 -4.263 -13.393 1.00 0.85 O ATOM 356 CB GLU A 25 13.154 -7.258 -11.782 1.00 0.67 C ATOM 357 CG GLU A 25 12.673 -7.888 -10.458 1.00 0.63 C ATOM 358 CD GLU A 25 13.605 -8.953 -9.873 1.00 0.72 C ATOM 359 OE1 GLU A 25 14.461 -9.516 -10.590 1.00 1.46 O ATOM 360 OE2 GLU A 25 13.434 -9.281 -8.675 1.00 1.21 O ATOM 0 H GLU A 25 11.038 -8.086 -12.670 1.00 0.68 H new ATOM 0 HA GLU A 25 11.814 -5.596 -11.574 1.00 0.71 H new ATOM 0 HB2 GLU A 25 13.374 -8.043 -12.505 1.00 0.67 H new ATOM 0 HB3 GLU A 25 14.081 -6.711 -11.614 1.00 0.67 H new ATOM 0 HG2 GLU A 25 12.544 -7.095 -9.721 1.00 0.63 H new ATOM 0 HG3 GLU A 25 11.692 -8.335 -10.621 1.00 0.63 H new ATOM 367 N LYS A 26 12.734 -6.054 -14.734 1.00 0.81 N ATOM 368 CA LYS A 26 13.068 -5.335 -15.953 1.00 0.89 C ATOM 369 C LYS A 26 12.046 -4.226 -16.291 1.00 0.86 C ATOM 370 O LYS A 26 12.438 -3.173 -16.801 1.00 1.00 O ATOM 371 CB LYS A 26 13.200 -6.406 -17.056 1.00 0.97 C ATOM 372 CG LYS A 26 13.514 -5.746 -18.393 1.00 1.84 C ATOM 373 CD LYS A 26 13.987 -6.676 -19.522 1.00 2.01 C ATOM 374 CE LYS A 26 13.022 -7.835 -19.815 1.00 2.26 C ATOM 375 NZ LYS A 26 13.333 -8.474 -21.119 1.00 3.16 N ATOM 0 H LYS A 26 12.601 -7.055 -14.878 1.00 0.81 H new ATOM 0 HA LYS A 26 14.004 -4.788 -15.842 1.00 0.89 H new ATOM 0 HB2 LYS A 26 13.989 -7.112 -16.796 1.00 0.97 H new ATOM 0 HB3 LYS A 26 12.274 -6.977 -17.132 1.00 0.97 H new ATOM 0 HG2 LYS A 26 12.620 -5.223 -18.734 1.00 1.84 H new ATOM 0 HG3 LYS A 26 14.282 -4.991 -18.229 1.00 1.84 H new ATOM 0 HD2 LYS A 26 14.122 -6.089 -20.431 1.00 2.01 H new ATOM 0 HD3 LYS A 26 14.962 -7.085 -19.259 1.00 2.01 H new ATOM 0 HE2 LYS A 26 13.087 -8.576 -19.019 1.00 2.26 H new ATOM 0 HE3 LYS A 26 11.997 -7.465 -19.823 1.00 2.26 H new ATOM 0 HZ1 LYS A 26 12.666 -9.253 -21.292 1.00 3.16 H new ATOM 0 HZ2 LYS A 26 13.247 -7.770 -21.880 1.00 3.16 H new ATOM 0 HZ3 LYS A 26 14.304 -8.847 -21.100 1.00 3.16 H new ATOM 389 N GLY A 27 10.755 -4.447 -16.003 1.00 0.78 N ATOM 390 CA GLY A 27 9.680 -3.480 -16.237 1.00 0.80 C ATOM 391 C GLY A 27 9.809 -2.214 -15.386 1.00 0.84 C ATOM 392 O GLY A 27 9.652 -1.121 -15.930 1.00 0.91 O ATOM 0 H GLY A 27 10.426 -5.321 -15.593 1.00 0.78 H new ATOM 0 HA2 GLY A 27 9.674 -3.202 -17.291 1.00 0.80 H new ATOM 0 HA3 GLY A 27 8.722 -3.955 -16.027 1.00 0.80 H new ATOM 396 N LEU A 28 10.102 -2.330 -14.083 1.00 0.85 N ATOM 397 CA LEU A 28 10.288 -1.152 -13.218 1.00 0.95 C ATOM 398 C LEU A 28 11.656 -0.501 -13.424 1.00 1.00 C ATOM 399 O LEU A 28 11.730 0.721 -13.438 1.00 1.11 O ATOM 400 CB LEU A 28 10.086 -1.468 -11.721 1.00 0.96 C ATOM 401 CG LEU A 28 8.656 -1.766 -11.215 1.00 1.06 C ATOM 402 CD1 LEU A 28 7.717 -0.569 -11.422 1.00 3.08 C ATOM 403 CD2 LEU A 28 8.060 -3.061 -11.775 1.00 2.09 C ATOM 0 H LEU A 28 10.215 -3.224 -13.604 1.00 0.85 H new ATOM 0 HA LEU A 28 9.512 -0.448 -13.520 1.00 0.95 H new ATOM 0 HB2 LEU A 28 10.710 -2.328 -11.477 1.00 0.96 H new ATOM 0 HB3 LEU A 28 10.470 -0.623 -11.149 1.00 0.96 H new ATOM 0 HG LEU A 28 8.754 -1.930 -10.142 1.00 1.06 H new ATOM 0 HD11 LEU A 28 6.722 -0.819 -11.053 1.00 3.08 H new ATOM 0 HD12 LEU A 28 8.100 0.293 -10.876 1.00 3.08 H new ATOM 0 HD13 LEU A 28 7.661 -0.330 -12.484 1.00 3.08 H new ATOM 0 HD21 LEU A 28 7.056 -3.202 -11.375 1.00 2.09 H new ATOM 0 HD22 LEU A 28 8.012 -2.999 -12.862 1.00 2.09 H new ATOM 0 HD23 LEU A 28 8.687 -3.905 -11.487 1.00 2.09 H new ATOM 415 N LYS A 29 12.738 -1.264 -13.630 1.00 0.97 N ATOM 416 CA LYS A 29 14.077 -0.674 -13.808 1.00 1.04 C ATOM 417 C LYS A 29 14.136 0.308 -15.003 1.00 1.06 C ATOM 418 O LYS A 29 14.875 1.295 -14.957 1.00 1.04 O ATOM 419 CB LYS A 29 15.118 -1.809 -13.916 1.00 1.15 C ATOM 420 CG LYS A 29 16.497 -1.485 -13.312 1.00 1.23 C ATOM 421 CD LYS A 29 16.468 -1.432 -11.770 1.00 2.12 C ATOM 422 CE LYS A 29 17.871 -1.354 -11.151 1.00 2.63 C ATOM 423 NZ LYS A 29 18.594 -2.650 -11.191 1.00 3.14 N ATOM 0 H LYS A 29 12.716 -2.283 -13.678 1.00 0.97 H new ATOM 0 HA LYS A 29 14.314 -0.067 -12.934 1.00 1.04 H new ATOM 0 HB2 LYS A 29 14.720 -2.695 -13.421 1.00 1.15 H new ATOM 0 HB3 LYS A 29 15.249 -2.063 -14.968 1.00 1.15 H new ATOM 0 HG2 LYS A 29 17.217 -2.238 -13.633 1.00 1.23 H new ATOM 0 HG3 LYS A 29 16.844 -0.527 -13.699 1.00 1.23 H new ATOM 0 HD2 LYS A 29 15.887 -0.567 -11.452 1.00 2.12 H new ATOM 0 HD3 LYS A 29 15.957 -2.317 -11.390 1.00 2.12 H new ATOM 0 HE2 LYS A 29 18.455 -0.602 -11.681 1.00 2.63 H new ATOM 0 HE3 LYS A 29 17.788 -1.022 -10.116 1.00 2.63 H new ATOM 0 HZ1 LYS A 29 19.534 -2.537 -10.760 1.00 3.14 H new ATOM 0 HZ2 LYS A 29 18.055 -3.365 -10.662 1.00 3.14 H new ATOM 0 HZ3 LYS A 29 18.701 -2.958 -12.179 1.00 3.14 H new ATOM 437 N ARG A 30 13.297 0.082 -16.029 1.00 1.22 N ATOM 438 CA ARG A 30 13.051 0.975 -17.174 1.00 1.28 C ATOM 439 C ARG A 30 11.978 2.037 -16.863 1.00 1.32 C ATOM 440 O ARG A 30 10.898 2.052 -17.453 1.00 2.17 O ATOM 441 CB ARG A 30 12.712 0.125 -18.416 1.00 1.66 C ATOM 442 CG ARG A 30 13.997 -0.499 -18.973 1.00 2.50 C ATOM 443 CD ARG A 30 13.760 -1.474 -20.131 1.00 3.11 C ATOM 444 NE ARG A 30 14.949 -1.681 -20.991 1.00 4.12 N ATOM 445 CZ ARG A 30 16.243 -1.757 -20.684 1.00 5.65 C ATOM 446 NH1 ARG A 30 16.759 -1.606 -19.484 1.00 6.88 N ATOM 447 NH2 ARG A 30 17.098 -1.976 -21.650 1.00 6.62 N ATOM 0 H ARG A 30 12.744 -0.773 -16.084 1.00 1.22 H new ATOM 0 HA ARG A 30 13.958 1.542 -17.385 1.00 1.28 H new ATOM 0 HB2 ARG A 30 12.000 -0.657 -18.152 1.00 1.66 H new ATOM 0 HB3 ARG A 30 12.237 0.745 -19.176 1.00 1.66 H new ATOM 0 HG2 ARG A 30 14.660 0.298 -19.311 1.00 2.50 H new ATOM 0 HG3 ARG A 30 14.513 -1.023 -18.169 1.00 2.50 H new ATOM 0 HD2 ARG A 30 13.445 -2.435 -19.726 1.00 3.11 H new ATOM 0 HD3 ARG A 30 12.939 -1.102 -20.745 1.00 3.11 H new ATOM 0 HE ARG A 30 14.742 -1.782 -21.985 1.00 4.12 H new ATOM 0 HH11 ARG A 30 16.151 -1.412 -18.688 1.00 6.88 H new ATOM 0 HH12 ARG A 30 17.767 -1.683 -19.349 1.00 6.88 H new ATOM 0 HH21 ARG A 30 16.767 -2.084 -22.609 1.00 6.62 H new ATOM 0 HH22 ARG A 30 18.095 -2.039 -21.444 1.00 6.62 H new ATOM 461 N MET A 31 12.292 2.952 -15.942 1.00 1.60 N ATOM 462 CA MET A 31 11.438 4.071 -15.497 1.00 1.51 C ATOM 463 C MET A 31 12.303 5.307 -15.161 1.00 1.69 C ATOM 464 O MET A 31 13.490 5.138 -14.858 1.00 2.31 O ATOM 465 CB MET A 31 10.683 3.653 -14.227 1.00 1.61 C ATOM 466 CG MET A 31 9.542 2.648 -14.416 1.00 1.56 C ATOM 467 SD MET A 31 7.941 3.359 -14.888 1.00 2.39 S ATOM 468 CE MET A 31 7.457 4.072 -13.289 1.00 2.23 C ATOM 0 H MET A 31 13.191 2.937 -15.460 1.00 1.60 H new ATOM 0 HA MET A 31 10.741 4.319 -16.298 1.00 1.51 H new ATOM 0 HB2 MET A 31 11.401 3.227 -13.526 1.00 1.61 H new ATOM 0 HB3 MET A 31 10.275 4.550 -13.760 1.00 1.61 H new ATOM 0 HG2 MET A 31 9.839 1.928 -15.179 1.00 1.56 H new ATOM 0 HG3 MET A 31 9.413 2.093 -13.487 1.00 1.56 H new ATOM 0 HE1 MET A 31 6.408 4.367 -13.325 1.00 2.23 H new ATOM 0 HE2 MET A 31 7.599 3.331 -12.502 1.00 2.23 H new ATOM 0 HE3 MET A 31 8.073 4.947 -13.079 1.00 2.23 H new ATOM 478 N PRO A 32 11.737 6.535 -15.166 1.00 1.49 N ATOM 479 CA PRO A 32 12.464 7.740 -14.779 1.00 1.71 C ATOM 480 C PRO A 32 12.639 7.806 -13.254 1.00 1.52 C ATOM 481 O PRO A 32 13.761 7.711 -12.759 1.00 1.57 O ATOM 482 CB PRO A 32 11.651 8.909 -15.347 1.00 2.00 C ATOM 483 CG PRO A 32 10.216 8.380 -15.387 1.00 1.86 C ATOM 484 CD PRO A 32 10.392 6.876 -15.623 1.00 1.54 C ATOM 0 HA PRO A 32 13.479 7.762 -15.175 1.00 1.71 H new ATOM 0 HB2 PRO A 32 11.732 9.795 -14.717 1.00 2.00 H new ATOM 0 HB3 PRO A 32 12.000 9.192 -16.340 1.00 2.00 H new ATOM 0 HG2 PRO A 32 9.689 8.580 -14.454 1.00 1.86 H new ATOM 0 HG3 PRO A 32 9.639 8.846 -16.186 1.00 1.86 H new ATOM 0 HD2 PRO A 32 9.641 6.308 -15.074 1.00 1.54 H new ATOM 0 HD3 PRO A 32 10.268 6.633 -16.678 1.00 1.54 H new ATOM 492 N GLY A 33 11.543 7.926 -12.497 1.00 1.52 N ATOM 493 CA GLY A 33 11.548 8.120 -11.045 1.00 1.57 C ATOM 494 C GLY A 33 11.614 6.819 -10.255 1.00 1.50 C ATOM 495 O GLY A 33 10.847 6.647 -9.318 1.00 1.85 O ATOM 0 H GLY A 33 10.602 7.890 -12.890 1.00 1.52 H new ATOM 0 HA2 GLY A 33 12.400 8.744 -10.773 1.00 1.57 H new ATOM 0 HA3 GLY A 33 10.649 8.665 -10.757 1.00 1.57 H new ATOM 499 N VAL A 34 12.508 5.899 -10.620 1.00 1.55 N ATOM 500 CA VAL A 34 12.662 4.590 -9.951 1.00 1.47 C ATOM 501 C VAL A 34 14.130 4.354 -9.592 1.00 1.31 C ATOM 502 O VAL A 34 15.030 4.680 -10.367 1.00 1.50 O ATOM 503 CB VAL A 34 12.052 3.442 -10.793 1.00 1.66 C ATOM 504 CG1 VAL A 34 12.312 2.013 -10.279 1.00 1.24 C ATOM 505 CG2 VAL A 34 10.521 3.621 -10.861 1.00 2.64 C ATOM 0 H VAL A 34 13.156 6.035 -11.396 1.00 1.55 H new ATOM 0 HA VAL A 34 12.097 4.602 -9.019 1.00 1.47 H new ATOM 0 HB VAL A 34 12.550 3.523 -11.759 1.00 1.66 H new ATOM 0 HG11 VAL A 34 11.838 1.294 -10.947 1.00 1.24 H new ATOM 0 HG12 VAL A 34 13.386 1.827 -10.249 1.00 1.24 H new ATOM 0 HG13 VAL A 34 11.897 1.906 -9.277 1.00 1.24 H new ATOM 0 HG21 VAL A 34 10.086 2.815 -11.453 1.00 2.64 H new ATOM 0 HG22 VAL A 34 10.107 3.595 -9.853 1.00 2.64 H new ATOM 0 HG23 VAL A 34 10.287 4.579 -11.325 1.00 2.64 H new ATOM 515 N THR A 35 14.354 3.813 -8.388 1.00 1.08 N ATOM 516 CA THR A 35 15.656 3.324 -7.923 1.00 0.90 C ATOM 517 C THR A 35 15.803 1.878 -8.368 1.00 1.13 C ATOM 518 O THR A 35 16.752 1.568 -9.080 1.00 1.36 O ATOM 519 CB THR A 35 15.778 3.445 -6.397 1.00 0.91 C ATOM 520 OG1 THR A 35 15.833 4.809 -6.049 1.00 2.25 O ATOM 521 CG2 THR A 35 17.031 2.782 -5.831 1.00 1.54 C ATOM 0 H THR A 35 13.615 3.701 -7.693 1.00 1.08 H new ATOM 0 HA THR A 35 16.454 3.929 -8.354 1.00 0.90 H new ATOM 0 HB THR A 35 14.909 2.938 -5.978 1.00 0.91 H new ATOM 0 HG1 THR A 35 15.440 4.936 -5.160 1.00 2.25 H new ATOM 0 HG21 THR A 35 17.051 2.907 -4.748 1.00 1.54 H new ATOM 0 HG22 THR A 35 17.022 1.719 -6.074 1.00 1.54 H new ATOM 0 HG23 THR A 35 17.916 3.246 -6.266 1.00 1.54 H new ATOM 529 N ASP A 36 14.886 0.999 -7.958 1.00 1.16 N ATOM 530 CA ASP A 36 15.057 -0.456 -8.089 1.00 1.25 C ATOM 531 C ASP A 36 13.769 -1.239 -7.779 1.00 1.06 C ATOM 532 O ASP A 36 12.867 -0.729 -7.116 1.00 1.07 O ATOM 533 CB ASP A 36 16.213 -0.912 -7.172 1.00 1.47 C ATOM 534 CG ASP A 36 16.702 -2.332 -7.437 1.00 1.81 C ATOM 535 OD1 ASP A 36 16.569 -2.819 -8.583 1.00 3.16 O ATOM 536 OD2 ASP A 36 17.258 -2.936 -6.490 1.00 1.92 O ATOM 0 H ASP A 36 14.003 1.272 -7.526 1.00 1.16 H new ATOM 0 HA ASP A 36 15.298 -0.674 -9.129 1.00 1.25 H new ATOM 0 HB2 ASP A 36 17.050 -0.224 -7.292 1.00 1.47 H new ATOM 0 HB3 ASP A 36 15.888 -0.840 -6.134 1.00 1.47 H new ATOM 541 N ALA A 37 13.704 -2.497 -8.222 1.00 0.95 N ATOM 542 CA ALA A 37 12.628 -3.438 -7.916 1.00 0.84 C ATOM 543 C ALA A 37 13.192 -4.846 -7.679 1.00 0.81 C ATOM 544 O ALA A 37 14.125 -5.269 -8.357 1.00 0.86 O ATOM 545 CB ALA A 37 11.604 -3.420 -9.054 1.00 0.81 C ATOM 0 H ALA A 37 14.423 -2.900 -8.823 1.00 0.95 H new ATOM 0 HA ALA A 37 12.127 -3.136 -6.996 1.00 0.84 H new ATOM 0 HB1 ALA A 37 10.799 -4.120 -8.830 1.00 0.81 H new ATOM 0 HB2 ALA A 37 11.193 -2.416 -9.158 1.00 0.81 H new ATOM 0 HB3 ALA A 37 12.090 -3.711 -9.985 1.00 0.81 H new ATOM 551 N ASN A 38 12.632 -5.557 -6.697 1.00 0.79 N ATOM 552 CA ASN A 38 13.119 -6.856 -6.227 1.00 0.78 C ATOM 553 C ASN A 38 11.929 -7.774 -5.888 1.00 0.73 C ATOM 554 O ASN A 38 11.104 -7.428 -5.038 1.00 0.84 O ATOM 555 CB ASN A 38 14.009 -6.661 -4.981 1.00 1.07 C ATOM 556 CG ASN A 38 15.255 -5.814 -5.232 1.00 1.50 C ATOM 557 OD1 ASN A 38 16.347 -6.330 -5.449 1.00 2.05 O ATOM 558 ND2 ASN A 38 15.145 -4.499 -5.178 1.00 1.70 N ATOM 0 H ASN A 38 11.805 -5.236 -6.193 1.00 0.79 H new ATOM 0 HA ASN A 38 13.709 -7.322 -7.016 1.00 0.78 H new ATOM 0 HB2 ASN A 38 13.417 -6.193 -4.194 1.00 1.07 H new ATOM 0 HB3 ASN A 38 14.316 -7.639 -4.610 1.00 1.07 H new ATOM 0 HD21 ASN A 38 15.968 -3.912 -5.317 1.00 1.70 H new ATOM 0 HD22 ASN A 38 14.237 -4.070 -4.998 1.00 1.70 H new ATOM 565 N VAL A 39 11.846 -8.945 -6.520 1.00 0.67 N ATOM 566 CA VAL A 39 10.773 -9.934 -6.331 1.00 0.71 C ATOM 567 C VAL A 39 11.310 -11.171 -5.596 1.00 0.82 C ATOM 568 O VAL A 39 12.273 -11.807 -6.020 1.00 1.05 O ATOM 569 CB VAL A 39 10.132 -10.308 -7.687 1.00 0.97 C ATOM 570 CG1 VAL A 39 9.084 -11.426 -7.551 1.00 1.88 C ATOM 571 CG2 VAL A 39 9.448 -9.088 -8.324 1.00 2.54 C ATOM 0 H VAL A 39 12.544 -9.245 -7.200 1.00 0.67 H new ATOM 0 HA VAL A 39 9.992 -9.493 -5.711 1.00 0.71 H new ATOM 0 HB VAL A 39 10.947 -10.662 -8.318 1.00 0.97 H new ATOM 0 HG11 VAL A 39 8.664 -11.652 -8.531 1.00 1.88 H new ATOM 0 HG12 VAL A 39 9.556 -12.320 -7.144 1.00 1.88 H new ATOM 0 HG13 VAL A 39 8.288 -11.099 -6.881 1.00 1.88 H new ATOM 0 HG21 VAL A 39 9.004 -9.376 -9.277 1.00 2.54 H new ATOM 0 HG22 VAL A 39 8.668 -8.719 -7.658 1.00 2.54 H new ATOM 0 HG23 VAL A 39 10.185 -8.303 -8.490 1.00 2.54 H new ATOM 581 N ASN A 40 10.659 -11.504 -4.479 1.00 0.84 N ATOM 582 CA ASN A 40 11.081 -12.532 -3.523 1.00 1.18 C ATOM 583 C ASN A 40 10.758 -13.971 -3.968 1.00 1.49 C ATOM 584 O ASN A 40 11.570 -14.871 -3.750 1.00 3.18 O ATOM 585 CB ASN A 40 10.408 -12.205 -2.179 1.00 1.21 C ATOM 586 CG ASN A 40 10.720 -13.248 -1.117 1.00 1.55 C ATOM 587 OD1 ASN A 40 10.106 -14.304 -1.086 1.00 2.07 O ATOM 588 ND2 ASN A 40 11.680 -13.003 -0.245 1.00 2.20 N ATOM 0 H ASN A 40 9.789 -11.047 -4.204 1.00 0.84 H new ATOM 0 HA ASN A 40 12.168 -12.508 -3.445 1.00 1.18 H new ATOM 0 HB2 ASN A 40 10.742 -11.226 -1.835 1.00 1.21 H new ATOM 0 HB3 ASN A 40 9.329 -12.142 -2.320 1.00 1.21 H new ATOM 0 HD21 ASN A 40 11.915 -13.698 0.463 1.00 2.20 H new ATOM 0 HD22 ASN A 40 12.187 -12.118 -0.279 1.00 2.20 H new ATOM 595 N LEU A 41 9.565 -14.191 -4.536 1.00 1.37 N ATOM 596 CA LEU A 41 9.004 -15.495 -4.937 1.00 1.37 C ATOM 597 C LEU A 41 8.656 -16.388 -3.733 1.00 1.64 C ATOM 598 O LEU A 41 7.482 -16.676 -3.529 1.00 1.87 O ATOM 599 CB LEU A 41 9.925 -16.186 -5.972 1.00 1.59 C ATOM 600 CG LEU A 41 9.246 -17.337 -6.746 1.00 1.61 C ATOM 601 CD1 LEU A 41 10.012 -17.596 -8.055 1.00 1.77 C ATOM 602 CD2 LEU A 41 9.185 -18.659 -5.963 1.00 3.22 C ATOM 0 H LEU A 41 8.927 -13.422 -4.741 1.00 1.37 H new ATOM 0 HA LEU A 41 8.049 -15.313 -5.429 1.00 1.37 H new ATOM 0 HB2 LEU A 41 10.277 -15.440 -6.685 1.00 1.59 H new ATOM 0 HB3 LEU A 41 10.804 -16.576 -5.458 1.00 1.59 H new ATOM 0 HG LEU A 41 8.221 -17.014 -6.928 1.00 1.61 H new ATOM 0 HD11 LEU A 41 9.533 -18.408 -8.602 1.00 1.77 H new ATOM 0 HD12 LEU A 41 10.004 -16.693 -8.666 1.00 1.77 H new ATOM 0 HD13 LEU A 41 11.042 -17.870 -7.826 1.00 1.77 H new ATOM 0 HD21 LEU A 41 8.695 -19.420 -6.571 1.00 3.22 H new ATOM 0 HD22 LEU A 41 10.196 -18.985 -5.720 1.00 3.22 H new ATOM 0 HD23 LEU A 41 8.620 -18.511 -5.042 1.00 3.22 H new ATOM 614 N ALA A 42 9.630 -16.800 -2.915 1.00 1.79 N ATOM 615 CA ALA A 42 9.485 -17.821 -1.859 1.00 2.01 C ATOM 616 C ALA A 42 8.452 -17.498 -0.751 1.00 2.06 C ATOM 617 O ALA A 42 7.974 -18.407 -0.059 1.00 2.30 O ATOM 618 CB ALA A 42 10.882 -18.051 -1.268 1.00 2.22 C ATOM 0 H ALA A 42 10.576 -16.422 -2.968 1.00 1.79 H new ATOM 0 HA ALA A 42 9.076 -18.720 -2.320 1.00 2.01 H new ATOM 0 HB1 ALA A 42 10.824 -18.801 -0.480 1.00 2.22 H new ATOM 0 HB2 ALA A 42 11.556 -18.398 -2.051 1.00 2.22 H new ATOM 0 HB3 ALA A 42 11.260 -17.117 -0.853 1.00 2.22 H new ATOM 624 N THR A 43 8.101 -16.217 -0.601 1.00 1.98 N ATOM 625 CA THR A 43 6.978 -15.692 0.200 1.00 2.04 C ATOM 626 C THR A 43 6.191 -14.621 -0.579 1.00 2.13 C ATOM 627 O THR A 43 5.466 -13.811 -0.015 1.00 2.58 O ATOM 628 CB THR A 43 7.471 -15.295 1.605 1.00 2.20 C ATOM 629 OG1 THR A 43 6.427 -15.487 2.528 1.00 3.13 O ATOM 630 CG2 THR A 43 8.007 -13.872 1.758 1.00 2.62 C ATOM 0 H THR A 43 8.621 -15.470 -1.061 1.00 1.98 H new ATOM 0 HA THR A 43 6.236 -16.470 0.378 1.00 2.04 H new ATOM 0 HB THR A 43 8.328 -15.942 1.792 1.00 2.20 H new ATOM 0 HG1 THR A 43 6.733 -15.238 3.425 1.00 3.13 H new ATOM 0 HG21 THR A 43 8.323 -13.711 2.789 1.00 2.62 H new ATOM 0 HG22 THR A 43 8.857 -13.730 1.091 1.00 2.62 H new ATOM 0 HG23 THR A 43 7.223 -13.159 1.503 1.00 2.62 H new ATOM 638 N GLU A 44 6.334 -14.621 -1.911 1.00 1.87 N ATOM 639 CA GLU A 44 5.393 -14.030 -2.880 1.00 1.79 C ATOM 640 C GLU A 44 5.388 -12.487 -2.912 1.00 1.58 C ATOM 641 O GLU A 44 4.489 -11.862 -3.484 1.00 1.49 O ATOM 642 CB GLU A 44 3.995 -14.644 -2.671 1.00 2.25 C ATOM 643 CG GLU A 44 3.176 -14.688 -3.962 1.00 2.27 C ATOM 644 CD GLU A 44 1.924 -15.517 -3.746 1.00 2.84 C ATOM 645 OE1 GLU A 44 0.918 -14.972 -3.250 1.00 4.34 O ATOM 646 OE2 GLU A 44 1.949 -16.750 -3.971 1.00 2.68 O ATOM 0 H GLU A 44 7.141 -15.050 -2.365 1.00 1.87 H new ATOM 0 HA GLU A 44 5.745 -14.289 -3.879 1.00 1.79 H new ATOM 0 HB2 GLU A 44 4.101 -15.655 -2.277 1.00 2.25 H new ATOM 0 HB3 GLU A 44 3.455 -14.065 -1.922 1.00 2.25 H new ATOM 0 HG2 GLU A 44 2.906 -13.677 -4.267 1.00 2.27 H new ATOM 0 HG3 GLU A 44 3.772 -15.116 -4.768 1.00 2.27 H new ATOM 653 N THR A 45 6.402 -11.865 -2.297 1.00 1.58 N ATOM 654 CA THR A 45 6.547 -10.412 -2.176 1.00 1.41 C ATOM 655 C THR A 45 7.147 -9.815 -3.442 1.00 0.85 C ATOM 656 O THR A 45 8.155 -10.306 -3.943 1.00 0.79 O ATOM 657 CB THR A 45 7.429 -10.030 -0.975 1.00 1.85 C ATOM 658 OG1 THR A 45 7.360 -11.009 0.036 1.00 2.62 O ATOM 659 CG2 THR A 45 7.011 -8.685 -0.385 1.00 1.67 C ATOM 0 H THR A 45 7.167 -12.377 -1.857 1.00 1.58 H new ATOM 0 HA THR A 45 5.547 -10.007 -2.023 1.00 1.41 H new ATOM 0 HB THR A 45 8.452 -9.959 -1.344 1.00 1.85 H new ATOM 0 HG1 THR A 45 7.930 -10.744 0.788 1.00 2.62 H new ATOM 0 HG21 THR A 45 7.653 -8.444 0.462 1.00 1.67 H new ATOM 0 HG22 THR A 45 7.105 -7.909 -1.145 1.00 1.67 H new ATOM 0 HG23 THR A 45 5.975 -8.741 -0.050 1.00 1.67 H new ATOM 667 N SER A 46 6.585 -8.708 -3.904 1.00 0.78 N ATOM 668 CA SER A 46 7.224 -7.759 -4.819 1.00 0.64 C ATOM 669 C SER A 46 7.531 -6.467 -4.052 1.00 0.72 C ATOM 670 O SER A 46 6.679 -5.982 -3.306 1.00 0.76 O ATOM 671 CB SER A 46 6.285 -7.452 -5.990 1.00 0.75 C ATOM 672 OG SER A 46 6.924 -6.620 -6.942 1.00 1.22 O ATOM 0 H SER A 46 5.638 -8.431 -3.646 1.00 0.78 H new ATOM 0 HA SER A 46 8.146 -8.188 -5.211 1.00 0.64 H new ATOM 0 HB2 SER A 46 5.972 -8.382 -6.465 1.00 0.75 H new ATOM 0 HB3 SER A 46 5.383 -6.964 -5.621 1.00 0.75 H new ATOM 0 HG SER A 46 6.308 -6.437 -7.682 1.00 1.22 H new ATOM 678 N ASN A 47 8.737 -5.916 -4.214 1.00 0.92 N ATOM 679 CA ASN A 47 9.233 -4.753 -3.469 1.00 1.12 C ATOM 680 C ASN A 47 9.791 -3.716 -4.456 1.00 1.20 C ATOM 681 O ASN A 47 10.562 -4.094 -5.340 1.00 1.27 O ATOM 682 CB ASN A 47 10.350 -5.191 -2.501 1.00 1.30 C ATOM 683 CG ASN A 47 10.022 -6.437 -1.681 1.00 1.30 C ATOM 684 OD1 ASN A 47 9.564 -6.363 -0.554 1.00 1.61 O ATOM 685 ND2 ASN A 47 10.270 -7.618 -2.221 1.00 1.20 N ATOM 0 H ASN A 47 9.415 -6.276 -4.886 1.00 0.92 H new ATOM 0 HA ASN A 47 8.414 -4.314 -2.899 1.00 1.12 H new ATOM 0 HB2 ASN A 47 11.258 -5.377 -3.074 1.00 1.30 H new ATOM 0 HB3 ASN A 47 10.566 -4.369 -1.819 1.00 1.30 H new ATOM 0 HD21 ASN A 47 10.078 -8.470 -1.694 1.00 1.20 H new ATOM 0 HD22 ASN A 47 10.653 -7.677 -3.164 1.00 1.20 H new ATOM 692 N VAL A 48 9.450 -2.430 -4.315 1.00 1.21 N ATOM 693 CA VAL A 48 9.889 -1.367 -5.246 1.00 1.21 C ATOM 694 C VAL A 48 10.374 -0.134 -4.474 1.00 1.23 C ATOM 695 O VAL A 48 9.795 0.244 -3.454 1.00 1.32 O ATOM 696 CB VAL A 48 8.784 -0.992 -6.271 1.00 1.26 C ATOM 697 CG1 VAL A 48 9.274 0.030 -7.316 1.00 2.35 C ATOM 698 CG2 VAL A 48 8.258 -2.226 -7.030 1.00 1.83 C ATOM 0 H VAL A 48 8.862 -2.090 -3.554 1.00 1.21 H new ATOM 0 HA VAL A 48 10.727 -1.763 -5.819 1.00 1.21 H new ATOM 0 HB VAL A 48 7.983 -0.551 -5.677 1.00 1.26 H new ATOM 0 HG11 VAL A 48 8.464 0.259 -8.009 1.00 2.35 H new ATOM 0 HG12 VAL A 48 9.589 0.944 -6.812 1.00 2.35 H new ATOM 0 HG13 VAL A 48 10.116 -0.389 -7.867 1.00 2.35 H new ATOM 0 HG21 VAL A 48 7.487 -1.918 -7.736 1.00 1.83 H new ATOM 0 HG22 VAL A 48 9.078 -2.697 -7.571 1.00 1.83 H new ATOM 0 HG23 VAL A 48 7.836 -2.937 -6.320 1.00 1.83 H new ATOM 708 N ILE A 49 11.455 0.477 -4.968 1.00 1.17 N ATOM 709 CA ILE A 49 12.101 1.676 -4.421 1.00 1.24 C ATOM 710 C ILE A 49 12.155 2.746 -5.522 1.00 1.25 C ATOM 711 O ILE A 49 12.615 2.473 -6.632 1.00 1.24 O ATOM 712 CB ILE A 49 13.514 1.354 -3.869 1.00 1.32 C ATOM 713 CG1 ILE A 49 13.547 0.165 -2.873 1.00 1.34 C ATOM 714 CG2 ILE A 49 14.071 2.597 -3.144 1.00 1.41 C ATOM 715 CD1 ILE A 49 13.774 -1.210 -3.524 1.00 1.35 C ATOM 0 H ILE A 49 11.928 0.132 -5.803 1.00 1.17 H new ATOM 0 HA ILE A 49 11.520 2.053 -3.579 1.00 1.24 H new ATOM 0 HB ILE A 49 14.118 1.072 -4.732 1.00 1.32 H new ATOM 0 HG12 ILE A 49 14.337 0.342 -2.143 1.00 1.34 H new ATOM 0 HG13 ILE A 49 12.605 0.142 -2.324 1.00 1.34 H new ATOM 0 HG21 ILE A 49 15.064 2.376 -2.754 1.00 1.41 H new ATOM 0 HG22 ILE A 49 14.133 3.430 -3.845 1.00 1.41 H new ATOM 0 HG23 ILE A 49 13.409 2.865 -2.320 1.00 1.41 H new ATOM 0 HD11 ILE A 49 13.782 -1.981 -2.753 1.00 1.35 H new ATOM 0 HD12 ILE A 49 12.971 -1.414 -4.233 1.00 1.35 H new ATOM 0 HD13 ILE A 49 14.730 -1.211 -4.048 1.00 1.35 H new ATOM 727 N TYR A 50 11.687 3.958 -5.223 1.00 1.32 N ATOM 728 CA TYR A 50 11.337 4.990 -6.210 1.00 1.33 C ATOM 729 C TYR A 50 11.570 6.434 -5.723 1.00 1.50 C ATOM 730 O TYR A 50 11.818 6.680 -4.546 1.00 1.68 O ATOM 731 CB TYR A 50 9.878 4.776 -6.662 1.00 1.20 C ATOM 732 CG TYR A 50 8.876 4.811 -5.525 1.00 0.99 C ATOM 733 CD1 TYR A 50 8.578 3.622 -4.837 1.00 1.95 C ATOM 734 CD2 TYR A 50 8.292 6.026 -5.114 1.00 2.18 C ATOM 735 CE1 TYR A 50 7.746 3.652 -3.709 1.00 2.41 C ATOM 736 CE2 TYR A 50 7.457 6.060 -3.980 1.00 2.06 C ATOM 737 CZ TYR A 50 7.212 4.874 -3.251 1.00 1.59 C ATOM 738 OH TYR A 50 6.506 4.906 -2.087 1.00 2.21 O ATOM 0 H TYR A 50 11.535 4.261 -4.261 1.00 1.32 H new ATOM 0 HA TYR A 50 12.015 4.873 -7.055 1.00 1.33 H new ATOM 0 HB2 TYR A 50 9.616 5.545 -7.389 1.00 1.20 H new ATOM 0 HB3 TYR A 50 9.802 3.816 -7.172 1.00 1.20 H new ATOM 0 HD1 TYR A 50 8.991 2.684 -5.178 1.00 1.95 H new ATOM 0 HD2 TYR A 50 8.485 6.932 -5.669 1.00 2.18 H new ATOM 0 HE1 TYR A 50 7.513 2.735 -3.188 1.00 2.41 H new ATOM 0 HE2 TYR A 50 7.005 6.990 -3.668 1.00 2.06 H new ATOM 0 HH TYR A 50 6.647 4.070 -1.596 1.00 2.21 H new ATOM 748 N ASP A 51 11.484 7.389 -6.650 1.00 1.56 N ATOM 749 CA ASP A 51 11.549 8.833 -6.411 1.00 1.70 C ATOM 750 C ASP A 51 10.113 9.414 -6.401 1.00 1.61 C ATOM 751 O ASP A 51 9.390 9.240 -7.387 1.00 1.51 O ATOM 752 CB ASP A 51 12.405 9.474 -7.517 1.00 1.89 C ATOM 753 CG ASP A 51 12.483 10.998 -7.407 1.00 2.42 C ATOM 754 OD1 ASP A 51 11.445 11.653 -7.639 1.00 3.38 O ATOM 755 OD2 ASP A 51 13.584 11.527 -7.123 1.00 2.76 O ATOM 0 H ASP A 51 11.361 7.166 -7.638 1.00 1.56 H new ATOM 0 HA ASP A 51 12.007 9.047 -5.445 1.00 1.70 H new ATOM 0 HB2 ASP A 51 13.413 9.060 -7.474 1.00 1.89 H new ATOM 0 HB3 ASP A 51 11.992 9.206 -8.489 1.00 1.89 H new ATOM 760 N PRO A 52 9.687 10.107 -5.325 1.00 1.71 N ATOM 761 CA PRO A 52 8.312 10.576 -5.145 1.00 1.69 C ATOM 762 C PRO A 52 8.002 11.903 -5.860 1.00 1.76 C ATOM 763 O PRO A 52 6.873 12.383 -5.764 1.00 2.01 O ATOM 764 CB PRO A 52 8.162 10.722 -3.626 1.00 1.85 C ATOM 765 CG PRO A 52 9.552 11.193 -3.205 1.00 2.04 C ATOM 766 CD PRO A 52 10.458 10.374 -4.119 1.00 1.92 C ATOM 0 HA PRO A 52 7.607 9.874 -5.589 1.00 1.69 H new ATOM 0 HB2 PRO A 52 7.390 11.445 -3.361 1.00 1.85 H new ATOM 0 HB3 PRO A 52 7.891 9.779 -3.152 1.00 1.85 H new ATOM 0 HG2 PRO A 52 9.682 12.265 -3.356 1.00 2.04 H new ATOM 0 HG3 PRO A 52 9.748 10.993 -2.152 1.00 2.04 H new ATOM 0 HD2 PRO A 52 11.371 10.922 -4.354 1.00 1.92 H new ATOM 0 HD3 PRO A 52 10.759 9.444 -3.636 1.00 1.92 H new ATOM 774 N ALA A 53 8.972 12.518 -6.549 1.00 1.82 N ATOM 775 CA ALA A 53 8.753 13.694 -7.392 1.00 1.90 C ATOM 776 C ALA A 53 8.551 13.308 -8.867 1.00 1.80 C ATOM 777 O ALA A 53 7.787 13.977 -9.564 1.00 2.06 O ATOM 778 CB ALA A 53 9.949 14.641 -7.213 1.00 2.07 C ATOM 0 H ALA A 53 9.943 12.206 -6.534 1.00 1.82 H new ATOM 0 HA ALA A 53 7.836 14.198 -7.086 1.00 1.90 H new ATOM 0 HB1 ALA A 53 9.808 15.526 -7.833 1.00 2.07 H new ATOM 0 HB2 ALA A 53 10.024 14.938 -6.167 1.00 2.07 H new ATOM 0 HB3 ALA A 53 10.865 14.131 -7.512 1.00 2.07 H new ATOM 784 N GLU A 54 9.213 12.248 -9.344 1.00 1.57 N ATOM 785 CA GLU A 54 9.173 11.803 -10.744 1.00 1.55 C ATOM 786 C GLU A 54 8.328 10.540 -10.997 1.00 1.49 C ATOM 787 O GLU A 54 8.224 10.114 -12.153 1.00 1.69 O ATOM 788 CB GLU A 54 10.611 11.606 -11.260 1.00 1.68 C ATOM 789 CG GLU A 54 11.361 12.921 -11.500 1.00 2.11 C ATOM 790 CD GLU A 54 10.649 13.840 -12.495 1.00 2.64 C ATOM 791 OE1 GLU A 54 10.221 13.364 -13.570 1.00 3.45 O ATOM 792 OE2 GLU A 54 10.490 15.046 -12.201 1.00 3.13 O ATOM 0 H GLU A 54 9.805 11.662 -8.755 1.00 1.57 H new ATOM 0 HA GLU A 54 8.668 12.593 -11.300 1.00 1.55 H new ATOM 0 HB2 GLU A 54 11.168 11.006 -10.540 1.00 1.68 H new ATOM 0 HB3 GLU A 54 10.580 11.040 -12.191 1.00 1.68 H new ATOM 0 HG2 GLU A 54 11.480 13.444 -10.551 1.00 2.11 H new ATOM 0 HG3 GLU A 54 12.362 12.700 -11.870 1.00 2.11 H new ATOM 799 N THR A 55 7.709 9.924 -9.977 1.00 1.39 N ATOM 800 CA THR A 55 6.816 8.756 -10.128 1.00 1.41 C ATOM 801 C THR A 55 5.798 8.705 -8.987 1.00 1.40 C ATOM 802 O THR A 55 6.121 8.974 -7.834 1.00 1.64 O ATOM 803 CB THR A 55 7.652 7.470 -10.242 1.00 1.45 C ATOM 804 OG1 THR A 55 8.209 7.473 -11.538 1.00 2.10 O ATOM 805 CG2 THR A 55 6.867 6.165 -10.102 1.00 1.65 C ATOM 0 H THR A 55 7.814 10.225 -9.008 1.00 1.39 H new ATOM 0 HA THR A 55 6.242 8.850 -11.050 1.00 1.41 H new ATOM 0 HB THR A 55 8.372 7.486 -9.423 1.00 1.45 H new ATOM 0 HG1 THR A 55 8.277 8.395 -11.863 1.00 2.10 H new ATOM 0 HG21 THR A 55 7.548 5.319 -10.197 1.00 1.65 H new ATOM 0 HG22 THR A 55 6.384 6.134 -9.125 1.00 1.65 H new ATOM 0 HG23 THR A 55 6.109 6.111 -10.883 1.00 1.65 H new ATOM 813 N GLY A 56 4.548 8.370 -9.331 1.00 1.61 N ATOM 814 CA GLY A 56 3.410 8.256 -8.407 1.00 1.70 C ATOM 815 C GLY A 56 3.056 6.802 -8.080 1.00 1.55 C ATOM 816 O GLY A 56 3.288 5.907 -8.891 1.00 1.49 O ATOM 0 H GLY A 56 4.291 8.163 -10.296 1.00 1.61 H new ATOM 0 HA2 GLY A 56 3.643 8.785 -7.483 1.00 1.70 H new ATOM 0 HA3 GLY A 56 2.541 8.747 -8.845 1.00 1.70 H new ATOM 820 N THR A 57 2.456 6.589 -6.901 1.00 1.58 N ATOM 821 CA THR A 57 2.179 5.273 -6.296 1.00 1.50 C ATOM 822 C THR A 57 1.390 4.347 -7.210 1.00 1.35 C ATOM 823 O THR A 57 1.888 3.273 -7.520 1.00 1.38 O ATOM 824 CB THR A 57 1.481 5.461 -4.944 1.00 1.75 C ATOM 825 OG1 THR A 57 2.401 6.121 -4.104 1.00 2.51 O ATOM 826 CG2 THR A 57 1.088 4.145 -4.271 1.00 2.01 C ATOM 0 H THR A 57 2.136 7.360 -6.315 1.00 1.58 H new ATOM 0 HA THR A 57 3.137 4.778 -6.139 1.00 1.50 H new ATOM 0 HB THR A 57 0.559 6.019 -5.111 1.00 1.75 H new ATOM 0 HG1 THR A 57 3.308 6.004 -4.456 1.00 2.51 H new ATOM 0 HG21 THR A 57 0.599 4.355 -3.320 1.00 2.01 H new ATOM 0 HG22 THR A 57 0.403 3.596 -4.917 1.00 2.01 H new ATOM 0 HG23 THR A 57 1.981 3.545 -4.096 1.00 2.01 H new ATOM 834 N ALA A 58 0.199 4.742 -7.669 1.00 1.24 N ATOM 835 CA ALA A 58 -0.714 3.851 -8.401 1.00 1.05 C ATOM 836 C ALA A 58 -0.106 3.245 -9.679 1.00 1.01 C ATOM 837 O ALA A 58 -0.382 2.090 -10.016 1.00 0.96 O ATOM 838 CB ALA A 58 -2.009 4.617 -8.701 1.00 1.17 C ATOM 0 H ALA A 58 -0.162 5.688 -7.545 1.00 1.24 H new ATOM 0 HA ALA A 58 -0.921 2.992 -7.763 1.00 1.05 H new ATOM 0 HB1 ALA A 58 -2.697 3.969 -9.244 1.00 1.17 H new ATOM 0 HB2 ALA A 58 -2.470 4.933 -7.765 1.00 1.17 H new ATOM 0 HB3 ALA A 58 -1.781 5.494 -9.307 1.00 1.17 H new ATOM 844 N ALA A 59 0.774 3.997 -10.348 1.00 1.20 N ATOM 845 CA ALA A 59 1.516 3.545 -11.521 1.00 1.23 C ATOM 846 C ALA A 59 2.490 2.391 -11.216 1.00 1.00 C ATOM 847 O ALA A 59 2.884 1.684 -12.138 1.00 0.94 O ATOM 848 CB ALA A 59 2.242 4.756 -12.123 1.00 1.58 C ATOM 0 H ALA A 59 0.992 4.957 -10.080 1.00 1.20 H new ATOM 0 HA ALA A 59 0.810 3.132 -12.242 1.00 1.23 H new ATOM 0 HB1 ALA A 59 2.805 4.443 -13.003 1.00 1.58 H new ATOM 0 HB2 ALA A 59 1.512 5.512 -12.410 1.00 1.58 H new ATOM 0 HB3 ALA A 59 2.926 5.174 -11.385 1.00 1.58 H new ATOM 854 N ILE A 60 2.873 2.175 -9.951 1.00 0.98 N ATOM 855 CA ILE A 60 3.721 1.048 -9.536 1.00 0.96 C ATOM 856 C ILE A 60 2.930 -0.260 -9.602 1.00 0.84 C ATOM 857 O ILE A 60 3.316 -1.138 -10.370 1.00 0.87 O ATOM 858 CB ILE A 60 4.375 1.292 -8.152 1.00 1.23 C ATOM 859 CG1 ILE A 60 5.172 2.622 -8.141 1.00 1.62 C ATOM 860 CG2 ILE A 60 5.297 0.101 -7.816 1.00 1.73 C ATOM 861 CD1 ILE A 60 5.747 3.004 -6.772 1.00 1.80 C ATOM 0 H ILE A 60 2.601 2.783 -9.179 1.00 0.98 H new ATOM 0 HA ILE A 60 4.551 0.963 -10.237 1.00 0.96 H new ATOM 0 HB ILE A 60 3.594 1.373 -7.396 1.00 1.23 H new ATOM 0 HG12 ILE A 60 5.990 2.547 -8.857 1.00 1.62 H new ATOM 0 HG13 ILE A 60 4.520 3.425 -8.485 1.00 1.62 H new ATOM 0 HG21 ILE A 60 5.762 0.264 -6.844 1.00 1.73 H new ATOM 0 HG22 ILE A 60 4.710 -0.817 -7.789 1.00 1.73 H new ATOM 0 HG23 ILE A 60 6.071 0.014 -8.578 1.00 1.73 H new ATOM 0 HD11 ILE A 60 6.289 3.946 -6.855 1.00 1.80 H new ATOM 0 HD12 ILE A 60 4.934 3.115 -6.054 1.00 1.80 H new ATOM 0 HD13 ILE A 60 6.427 2.223 -6.432 1.00 1.80 H new ATOM 873 N GLN A 61 1.822 -0.414 -8.863 1.00 0.88 N ATOM 874 CA GLN A 61 1.042 -1.654 -8.963 1.00 1.05 C ATOM 875 C GLN A 61 0.407 -1.834 -10.345 1.00 1.04 C ATOM 876 O GLN A 61 0.353 -2.968 -10.820 1.00 1.16 O ATOM 877 CB GLN A 61 0.015 -1.831 -7.832 1.00 1.34 C ATOM 878 CG GLN A 61 -1.130 -0.807 -7.759 1.00 1.40 C ATOM 879 CD GLN A 61 -0.805 0.412 -6.896 1.00 2.09 C ATOM 880 OE1 GLN A 61 0.341 0.764 -6.668 1.00 3.21 O ATOM 881 NE2 GLN A 61 -1.804 1.079 -6.356 1.00 2.48 N ATOM 0 H GLN A 61 1.455 0.279 -8.211 1.00 0.88 H new ATOM 0 HA GLN A 61 1.766 -2.458 -8.833 1.00 1.05 H new ATOM 0 HB2 GLN A 61 -0.425 -2.824 -7.927 1.00 1.34 H new ATOM 0 HB3 GLN A 61 0.550 -1.808 -6.883 1.00 1.34 H new ATOM 0 HG2 GLN A 61 -1.373 -0.473 -8.768 1.00 1.40 H new ATOM 0 HG3 GLN A 61 -2.019 -1.296 -7.362 1.00 1.40 H new ATOM 0 HE21 GLN A 61 -2.766 0.794 -6.540 1.00 2.48 H new ATOM 0 HE22 GLN A 61 -1.616 1.881 -5.754 1.00 2.48 H new ATOM 890 N GLU A 62 0.012 -0.753 -11.035 1.00 1.01 N ATOM 891 CA GLU A 62 -0.439 -0.861 -12.424 1.00 1.22 C ATOM 892 C GLU A 62 0.673 -1.411 -13.324 1.00 1.11 C ATOM 893 O GLU A 62 0.395 -2.265 -14.154 1.00 1.34 O ATOM 894 CB GLU A 62 -1.019 0.468 -12.939 1.00 1.46 C ATOM 895 CG GLU A 62 -1.677 0.274 -14.315 1.00 2.02 C ATOM 896 CD GLU A 62 -2.538 1.462 -14.736 1.00 2.51 C ATOM 897 OE1 GLU A 62 -3.706 1.551 -14.296 1.00 3.98 O ATOM 898 OE2 GLU A 62 -2.101 2.266 -15.594 1.00 2.53 O ATOM 0 H GLU A 62 -0.003 0.194 -10.656 1.00 1.01 H new ATOM 0 HA GLU A 62 -1.256 -1.581 -12.457 1.00 1.22 H new ATOM 0 HB2 GLU A 62 -1.753 0.850 -12.229 1.00 1.46 H new ATOM 0 HB3 GLU A 62 -0.227 1.213 -13.010 1.00 1.46 H new ATOM 0 HG2 GLU A 62 -0.901 0.111 -15.063 1.00 2.02 H new ATOM 0 HG3 GLU A 62 -2.293 -0.625 -14.294 1.00 2.02 H new ATOM 905 N LYS A 63 1.940 -1.034 -13.122 1.00 0.89 N ATOM 906 CA LYS A 63 3.067 -1.630 -13.846 1.00 0.86 C ATOM 907 C LYS A 63 3.316 -3.111 -13.500 1.00 0.87 C ATOM 908 O LYS A 63 3.894 -3.817 -14.324 1.00 1.02 O ATOM 909 CB LYS A 63 4.302 -0.740 -13.634 1.00 0.84 C ATOM 910 CG LYS A 63 5.566 -1.223 -14.363 1.00 1.29 C ATOM 911 CD LYS A 63 6.368 -0.083 -15.004 1.00 1.70 C ATOM 912 CE LYS A 63 5.745 0.280 -16.358 1.00 2.04 C ATOM 913 NZ LYS A 63 6.615 1.182 -17.153 1.00 3.09 N ATOM 0 H LYS A 63 2.212 -0.311 -12.456 1.00 0.89 H new ATOM 0 HA LYS A 63 2.823 -1.661 -14.908 1.00 0.86 H new ATOM 0 HB2 LYS A 63 4.068 0.271 -13.969 1.00 0.84 H new ATOM 0 HB3 LYS A 63 4.513 -0.681 -12.566 1.00 0.84 H new ATOM 0 HG2 LYS A 63 6.204 -1.755 -13.657 1.00 1.29 H new ATOM 0 HG3 LYS A 63 5.281 -1.937 -15.136 1.00 1.29 H new ATOM 0 HD2 LYS A 63 6.372 0.787 -14.348 1.00 1.70 H new ATOM 0 HD3 LYS A 63 7.407 -0.385 -15.138 1.00 1.70 H new ATOM 0 HE2 LYS A 63 5.556 -0.632 -16.925 1.00 2.04 H new ATOM 0 HE3 LYS A 63 4.780 0.760 -16.195 1.00 2.04 H new ATOM 0 HZ1 LYS A 63 6.045 1.666 -17.876 1.00 3.09 H new ATOM 0 HZ2 LYS A 63 7.049 1.888 -16.525 1.00 3.09 H new ATOM 0 HZ3 LYS A 63 7.361 0.625 -17.616 1.00 3.09 H new ATOM 927 N ILE A 64 2.868 -3.620 -12.347 1.00 0.85 N ATOM 928 CA ILE A 64 2.839 -5.073 -12.083 1.00 0.92 C ATOM 929 C ILE A 64 1.695 -5.725 -12.871 1.00 1.00 C ATOM 930 O ILE A 64 1.945 -6.653 -13.641 1.00 1.02 O ATOM 931 CB ILE A 64 2.810 -5.384 -10.560 1.00 0.99 C ATOM 932 CG1 ILE A 64 4.208 -5.248 -9.910 1.00 1.10 C ATOM 933 CG2 ILE A 64 2.338 -6.826 -10.282 1.00 1.13 C ATOM 934 CD1 ILE A 64 4.749 -3.828 -9.746 1.00 1.91 C ATOM 0 H ILE A 64 2.519 -3.050 -11.577 1.00 0.85 H new ATOM 0 HA ILE A 64 3.766 -5.520 -12.441 1.00 0.92 H new ATOM 0 HB ILE A 64 2.118 -4.657 -10.134 1.00 0.99 H new ATOM 0 HG12 ILE A 64 4.174 -5.716 -8.926 1.00 1.10 H new ATOM 0 HG13 ILE A 64 4.919 -5.817 -10.509 1.00 1.10 H new ATOM 0 HG21 ILE A 64 2.331 -7.006 -9.207 1.00 1.13 H new ATOM 0 HG22 ILE A 64 1.332 -6.963 -10.679 1.00 1.13 H new ATOM 0 HG23 ILE A 64 3.017 -7.530 -10.763 1.00 1.13 H new ATOM 0 HD11 ILE A 64 5.734 -3.865 -9.280 1.00 1.91 H new ATOM 0 HD12 ILE A 64 4.829 -3.354 -10.724 1.00 1.91 H new ATOM 0 HD13 ILE A 64 4.071 -3.251 -9.117 1.00 1.91 H new ATOM 946 N GLU A 65 0.467 -5.218 -12.739 1.00 1.11 N ATOM 947 CA GLU A 65 -0.710 -5.820 -13.381 1.00 1.38 C ATOM 948 C GLU A 65 -0.686 -5.681 -14.923 1.00 1.34 C ATOM 949 O GLU A 65 -1.313 -6.470 -15.633 1.00 1.45 O ATOM 950 CB GLU A 65 -2.019 -5.328 -12.725 1.00 1.91 C ATOM 951 CG GLU A 65 -2.022 -5.448 -11.176 1.00 2.11 C ATOM 952 CD GLU A 65 -3.339 -5.939 -10.556 1.00 2.62 C ATOM 953 OE1 GLU A 65 -4.417 -5.485 -10.998 1.00 2.75 O ATOM 954 OE2 GLU A 65 -3.269 -6.750 -9.596 1.00 3.82 O ATOM 0 H GLU A 65 0.258 -4.385 -12.189 1.00 1.11 H new ATOM 0 HA GLU A 65 -0.669 -6.895 -13.205 1.00 1.38 H new ATOM 0 HB2 GLU A 65 -2.185 -4.287 -13.001 1.00 1.91 H new ATOM 0 HB3 GLU A 65 -2.855 -5.901 -13.127 1.00 1.91 H new ATOM 0 HG2 GLU A 65 -1.224 -6.129 -10.880 1.00 2.11 H new ATOM 0 HG3 GLU A 65 -1.782 -4.473 -10.752 1.00 2.11 H new ATOM 961 N LYS A 66 0.126 -4.762 -15.465 1.00 1.30 N ATOM 962 CA LYS A 66 0.505 -4.646 -16.885 1.00 1.36 C ATOM 963 C LYS A 66 1.144 -5.926 -17.460 1.00 1.48 C ATOM 964 O LYS A 66 1.120 -6.119 -18.676 1.00 1.70 O ATOM 965 CB LYS A 66 1.462 -3.437 -17.012 1.00 1.47 C ATOM 966 CG LYS A 66 1.636 -2.803 -18.402 1.00 2.07 C ATOM 967 CD LYS A 66 2.687 -3.465 -19.310 1.00 3.55 C ATOM 968 CE LYS A 66 3.364 -2.407 -20.196 1.00 4.48 C ATOM 969 NZ LYS A 66 4.346 -3.013 -21.123 1.00 6.03 N ATOM 0 H LYS A 66 0.562 -4.038 -14.894 1.00 1.30 H new ATOM 0 HA LYS A 66 -0.398 -4.498 -17.477 1.00 1.36 H new ATOM 0 HB2 LYS A 66 1.113 -2.661 -16.331 1.00 1.47 H new ATOM 0 HB3 LYS A 66 2.445 -3.750 -16.661 1.00 1.47 H new ATOM 0 HG2 LYS A 66 0.674 -2.825 -18.914 1.00 2.07 H new ATOM 0 HG3 LYS A 66 1.904 -1.754 -18.272 1.00 2.07 H new ATOM 0 HD2 LYS A 66 3.435 -3.974 -18.702 1.00 3.55 H new ATOM 0 HD3 LYS A 66 2.214 -4.223 -19.934 1.00 3.55 H new ATOM 0 HE2 LYS A 66 2.606 -1.873 -20.768 1.00 4.48 H new ATOM 0 HE3 LYS A 66 3.865 -1.672 -19.566 1.00 4.48 H new ATOM 0 HZ1 LYS A 66 4.781 -2.268 -21.703 1.00 6.03 H new ATOM 0 HZ2 LYS A 66 5.084 -3.501 -20.576 1.00 6.03 H new ATOM 0 HZ3 LYS A 66 3.864 -3.696 -21.741 1.00 6.03 H new ATOM 983 N LEU A 67 1.729 -6.800 -16.628 1.00 1.41 N ATOM 984 CA LEU A 67 2.262 -8.098 -17.066 1.00 1.56 C ATOM 985 C LEU A 67 1.211 -9.221 -17.038 1.00 1.69 C ATOM 986 O LEU A 67 1.453 -10.270 -17.634 1.00 1.92 O ATOM 987 CB LEU A 67 3.480 -8.500 -16.205 1.00 1.57 C ATOM 988 CG LEU A 67 4.809 -7.740 -16.405 1.00 1.54 C ATOM 989 CD1 LEU A 67 5.199 -7.617 -17.885 1.00 1.38 C ATOM 990 CD2 LEU A 67 4.829 -6.356 -15.752 1.00 1.74 C ATOM 0 H LEU A 67 1.846 -6.626 -15.630 1.00 1.41 H new ATOM 0 HA LEU A 67 2.568 -7.971 -18.104 1.00 1.56 H new ATOM 0 HB2 LEU A 67 3.194 -8.397 -15.158 1.00 1.57 H new ATOM 0 HB3 LEU A 67 3.674 -9.558 -16.380 1.00 1.57 H new ATOM 0 HG LEU A 67 5.551 -8.355 -15.896 1.00 1.54 H new ATOM 0 HD11 LEU A 67 6.141 -7.074 -17.969 1.00 1.38 H new ATOM 0 HD12 LEU A 67 5.314 -8.612 -18.315 1.00 1.38 H new ATOM 0 HD13 LEU A 67 4.420 -7.077 -18.423 1.00 1.38 H new ATOM 0 HD21 LEU A 67 5.793 -5.882 -15.934 1.00 1.74 H new ATOM 0 HD22 LEU A 67 4.036 -5.741 -16.178 1.00 1.74 H new ATOM 0 HD23 LEU A 67 4.672 -6.458 -14.678 1.00 1.74 H new ATOM 1002 N GLY A 68 0.072 -9.025 -16.363 1.00 1.64 N ATOM 1003 CA GLY A 68 -0.921 -10.075 -16.099 1.00 1.96 C ATOM 1004 C GLY A 68 -0.688 -10.826 -14.783 1.00 1.89 C ATOM 1005 O GLY A 68 -1.349 -11.835 -14.540 1.00 2.32 O ATOM 0 H GLY A 68 -0.190 -8.118 -15.978 1.00 1.64 H new ATOM 0 HA2 GLY A 68 -1.914 -9.627 -16.080 1.00 1.96 H new ATOM 0 HA3 GLY A 68 -0.909 -10.790 -16.922 1.00 1.96 H new ATOM 1009 N TYR A 69 0.226 -10.353 -13.929 1.00 1.59 N ATOM 1010 CA TYR A 69 0.397 -10.831 -12.550 1.00 1.70 C ATOM 1011 C TYR A 69 -0.430 -9.948 -11.600 1.00 2.02 C ATOM 1012 O TYR A 69 -0.425 -8.728 -11.724 1.00 2.68 O ATOM 1013 CB TYR A 69 1.884 -10.823 -12.159 1.00 1.63 C ATOM 1014 CG TYR A 69 2.847 -11.384 -13.194 1.00 2.18 C ATOM 1015 CD1 TYR A 69 2.580 -12.603 -13.852 1.00 3.18 C ATOM 1016 CD2 TYR A 69 4.015 -10.666 -13.512 1.00 3.18 C ATOM 1017 CE1 TYR A 69 3.451 -13.075 -14.852 1.00 4.20 C ATOM 1018 CE2 TYR A 69 4.904 -11.146 -14.491 1.00 4.07 C ATOM 1019 CZ TYR A 69 4.611 -12.340 -15.184 1.00 4.33 C ATOM 1020 OH TYR A 69 5.450 -12.777 -16.163 1.00 5.47 O ATOM 0 H TYR A 69 0.881 -9.613 -14.181 1.00 1.59 H new ATOM 0 HA TYR A 69 0.041 -11.859 -12.474 1.00 1.70 H new ATOM 0 HB2 TYR A 69 2.176 -9.796 -11.938 1.00 1.63 H new ATOM 0 HB3 TYR A 69 2.000 -11.392 -11.237 1.00 1.63 H new ATOM 0 HD1 TYR A 69 1.704 -13.176 -13.587 1.00 3.18 H new ATOM 0 HD2 TYR A 69 4.230 -9.739 -13.001 1.00 3.18 H new ATOM 0 HE1 TYR A 69 3.232 -13.999 -15.366 1.00 4.20 H new ATOM 0 HE2 TYR A 69 5.810 -10.601 -14.712 1.00 4.07 H new ATOM 0 HH TYR A 69 5.837 -13.638 -15.901 1.00 5.47 H new ATOM 1030 N HIS A 70 -1.185 -10.539 -10.680 1.00 1.72 N ATOM 1031 CA HIS A 70 -2.196 -9.820 -9.905 1.00 1.82 C ATOM 1032 C HIS A 70 -1.720 -9.555 -8.467 1.00 1.80 C ATOM 1033 O HIS A 70 -1.394 -10.490 -7.737 1.00 1.77 O ATOM 1034 CB HIS A 70 -3.510 -10.620 -9.895 1.00 1.99 C ATOM 1035 CG HIS A 70 -4.333 -10.557 -11.163 1.00 2.15 C ATOM 1036 ND1 HIS A 70 -5.710 -10.585 -11.221 1.00 2.95 N ATOM 1037 CD2 HIS A 70 -3.888 -10.462 -12.457 1.00 2.26 C ATOM 1038 CE1 HIS A 70 -6.077 -10.510 -12.509 1.00 3.12 C ATOM 1039 NE2 HIS A 70 -5.000 -10.431 -13.307 1.00 2.61 N ATOM 0 H HIS A 70 -1.115 -11.530 -10.449 1.00 1.72 H new ATOM 0 HA HIS A 70 -2.365 -8.853 -10.379 1.00 1.82 H new ATOM 0 HB2 HIS A 70 -3.275 -11.664 -9.689 1.00 1.99 H new ATOM 0 HB3 HIS A 70 -4.124 -10.262 -9.068 1.00 1.99 H new ATOM 0 HD2 HIS A 70 -2.855 -10.418 -12.768 1.00 2.26 H new ATOM 0 HE1 HIS A 70 -7.099 -10.513 -12.857 1.00 3.12 H new ATOM 0 HE2 HIS A 70 -4.993 -10.362 -14.325 1.00 2.61 H new ATOM 1047 N VAL A 71 -1.786 -8.299 -8.021 1.00 1.99 N ATOM 1048 CA VAL A 71 -1.681 -7.926 -6.598 1.00 1.95 C ATOM 1049 C VAL A 71 -2.972 -8.305 -5.856 1.00 1.75 C ATOM 1050 O VAL A 71 -2.932 -8.606 -4.667 1.00 3.15 O ATOM 1051 CB VAL A 71 -1.375 -6.416 -6.431 1.00 2.10 C ATOM 1052 CG1 VAL A 71 -1.330 -5.959 -4.960 1.00 3.70 C ATOM 1053 CG2 VAL A 71 -0.042 -6.042 -7.109 1.00 2.04 C ATOM 0 H VAL A 71 -1.915 -7.499 -8.640 1.00 1.99 H new ATOM 0 HA VAL A 71 -0.849 -8.479 -6.162 1.00 1.95 H new ATOM 0 HB VAL A 71 -2.203 -5.898 -6.915 1.00 2.10 H new ATOM 0 HG11 VAL A 71 -1.111 -4.892 -4.917 1.00 3.70 H new ATOM 0 HG12 VAL A 71 -2.294 -6.151 -4.490 1.00 3.70 H new ATOM 0 HG13 VAL A 71 -0.552 -6.510 -4.431 1.00 3.70 H new ATOM 0 HG21 VAL A 71 0.147 -4.977 -6.976 1.00 2.04 H new ATOM 0 HG22 VAL A 71 0.769 -6.614 -6.658 1.00 2.04 H new ATOM 0 HG23 VAL A 71 -0.098 -6.270 -8.173 1.00 2.04 H new ATOM 1063 N VAL A 72 -4.110 -8.324 -6.565 1.00 1.47 N ATOM 1064 CA VAL A 72 -5.433 -8.738 -6.052 1.00 1.75 C ATOM 1065 C VAL A 72 -5.941 -7.672 -5.067 1.00 1.75 C ATOM 1066 O VAL A 72 -6.045 -7.889 -3.858 1.00 1.94 O ATOM 1067 CB VAL A 72 -5.474 -10.175 -5.447 1.00 2.08 C ATOM 1068 CG1 VAL A 72 -6.931 -10.623 -5.228 1.00 3.71 C ATOM 1069 CG2 VAL A 72 -4.815 -11.220 -6.369 1.00 3.01 C ATOM 0 H VAL A 72 -4.140 -8.043 -7.545 1.00 1.47 H new ATOM 0 HA VAL A 72 -6.108 -8.803 -6.906 1.00 1.75 H new ATOM 0 HB VAL A 72 -4.925 -10.122 -4.507 1.00 2.08 H new ATOM 0 HG11 VAL A 72 -6.943 -11.628 -4.805 1.00 3.71 H new ATOM 0 HG12 VAL A 72 -7.424 -9.935 -4.542 1.00 3.71 H new ATOM 0 HG13 VAL A 72 -7.459 -10.624 -6.182 1.00 3.71 H new ATOM 0 HG21 VAL A 72 -4.870 -12.203 -5.902 1.00 3.01 H new ATOM 0 HG22 VAL A 72 -5.338 -11.243 -7.325 1.00 3.01 H new ATOM 0 HG23 VAL A 72 -3.771 -10.954 -6.533 1.00 3.01 H new ATOM 1079 N THR A 73 -6.200 -6.476 -5.608 1.00 1.78 N ATOM 1080 CA THR A 73 -6.595 -5.285 -4.851 1.00 1.79 C ATOM 1081 C THR A 73 -8.092 -5.306 -4.568 1.00 1.73 C ATOM 1082 O THR A 73 -8.895 -5.312 -5.502 1.00 2.04 O ATOM 1083 CB THR A 73 -6.205 -4.016 -5.613 1.00 1.98 C ATOM 1084 OG1 THR A 73 -6.723 -4.089 -6.918 1.00 2.42 O ATOM 1085 CG2 THR A 73 -4.688 -3.846 -5.702 1.00 1.99 C ATOM 0 H THR A 73 -6.139 -6.306 -6.612 1.00 1.78 H new ATOM 0 HA THR A 73 -6.068 -5.288 -3.897 1.00 1.79 H new ATOM 0 HB THR A 73 -6.614 -3.163 -5.072 1.00 1.98 H new ATOM 0 HG1 THR A 73 -7.619 -4.485 -6.893 1.00 2.42 H new ATOM 0 HG21 THR A 73 -4.456 -2.933 -6.251 1.00 1.99 H new ATOM 0 HG22 THR A 73 -4.269 -3.782 -4.698 1.00 1.99 H new ATOM 0 HG23 THR A 73 -4.256 -4.701 -6.221 1.00 1.99 H new ATOM 1093 N GLU A 74 -8.456 -5.281 -3.289 1.00 1.43 N ATOM 1094 CA GLU A 74 -9.834 -5.257 -2.798 1.00 1.37 C ATOM 1095 C GLU A 74 -9.958 -4.269 -1.634 1.00 1.25 C ATOM 1096 O GLU A 74 -8.969 -3.920 -0.984 1.00 1.27 O ATOM 1097 CB GLU A 74 -10.286 -6.671 -2.385 1.00 1.73 C ATOM 1098 CG GLU A 74 -11.423 -7.198 -3.271 1.00 2.71 C ATOM 1099 CD GLU A 74 -12.796 -6.659 -2.866 1.00 3.39 C ATOM 1100 OE1 GLU A 74 -13.023 -5.426 -2.897 1.00 4.65 O ATOM 1101 OE2 GLU A 74 -13.673 -7.487 -2.524 1.00 3.69 O ATOM 0 H GLU A 74 -7.771 -5.277 -2.533 1.00 1.43 H new ATOM 0 HA GLU A 74 -10.492 -4.922 -3.600 1.00 1.37 H new ATOM 0 HB2 GLU A 74 -9.438 -7.353 -2.442 1.00 1.73 H new ATOM 0 HB3 GLU A 74 -10.614 -6.657 -1.346 1.00 1.73 H new ATOM 0 HG2 GLU A 74 -11.224 -6.927 -4.308 1.00 2.71 H new ATOM 0 HG3 GLU A 74 -11.438 -8.287 -3.224 1.00 2.71 H new ATOM 1108 N LYS A 75 -11.172 -3.770 -1.406 1.00 1.40 N ATOM 1109 CA LYS A 75 -11.384 -2.515 -0.687 1.00 1.34 C ATOM 1110 C LYS A 75 -12.292 -2.624 0.548 1.00 1.33 C ATOM 1111 O LYS A 75 -13.320 -3.312 0.564 1.00 1.58 O ATOM 1112 CB LYS A 75 -11.823 -1.446 -1.697 1.00 1.35 C ATOM 1113 CG LYS A 75 -13.259 -1.676 -2.182 1.00 1.44 C ATOM 1114 CD LYS A 75 -13.455 -1.454 -3.690 1.00 1.80 C ATOM 1115 CE LYS A 75 -12.743 -2.568 -4.481 1.00 2.86 C ATOM 1116 NZ LYS A 75 -12.904 -2.423 -5.946 1.00 3.79 N ATOM 0 H LYS A 75 -12.033 -4.222 -1.713 1.00 1.40 H new ATOM 0 HA LYS A 75 -10.437 -2.214 -0.239 1.00 1.34 H new ATOM 0 HB2 LYS A 75 -11.748 -0.460 -1.238 1.00 1.35 H new ATOM 0 HB3 LYS A 75 -11.146 -1.453 -2.551 1.00 1.35 H new ATOM 0 HG2 LYS A 75 -13.556 -2.695 -1.934 1.00 1.44 H new ATOM 0 HG3 LYS A 75 -13.926 -1.008 -1.638 1.00 1.44 H new ATOM 0 HD2 LYS A 75 -14.518 -1.448 -3.930 1.00 1.80 H new ATOM 0 HD3 LYS A 75 -13.058 -0.481 -3.978 1.00 1.80 H new ATOM 0 HE2 LYS A 75 -11.681 -2.561 -4.234 1.00 2.86 H new ATOM 0 HE3 LYS A 75 -13.136 -3.536 -4.171 1.00 2.86 H new ATOM 0 HZ1 LYS A 75 -12.406 -3.198 -6.428 1.00 3.79 H new ATOM 0 HZ2 LYS A 75 -13.915 -2.457 -6.189 1.00 3.79 H new ATOM 0 HZ3 LYS A 75 -12.505 -1.512 -6.251 1.00 3.79 H new ATOM 1130 N ALA A 76 -11.931 -1.881 1.592 1.00 1.19 N ATOM 1131 CA ALA A 76 -12.664 -1.759 2.846 1.00 1.19 C ATOM 1132 C ALA A 76 -12.623 -0.308 3.337 1.00 0.95 C ATOM 1133 O ALA A 76 -11.683 0.437 3.051 1.00 0.87 O ATOM 1134 CB ALA A 76 -12.057 -2.731 3.867 1.00 1.32 C ATOM 0 H ALA A 76 -11.078 -1.322 1.584 1.00 1.19 H new ATOM 0 HA ALA A 76 -13.713 -2.020 2.704 1.00 1.19 H new ATOM 0 HB1 ALA A 76 -12.596 -2.651 4.811 1.00 1.32 H new ATOM 0 HB2 ALA A 76 -12.136 -3.751 3.490 1.00 1.32 H new ATOM 0 HB3 ALA A 76 -11.008 -2.483 4.026 1.00 1.32 H new ATOM 1140 N GLU A 77 -13.653 0.097 4.072 1.00 0.96 N ATOM 1141 CA GLU A 77 -13.735 1.432 4.660 1.00 0.79 C ATOM 1142 C GLU A 77 -13.657 1.352 6.182 1.00 0.75 C ATOM 1143 O GLU A 77 -14.464 0.667 6.815 1.00 1.06 O ATOM 1144 CB GLU A 77 -14.988 2.171 4.180 1.00 0.92 C ATOM 1145 CG GLU A 77 -14.967 2.291 2.650 1.00 0.96 C ATOM 1146 CD GLU A 77 -15.927 3.358 2.162 1.00 1.37 C ATOM 1147 OE1 GLU A 77 -17.140 3.198 2.412 1.00 1.91 O ATOM 1148 OE2 GLU A 77 -15.452 4.323 1.528 1.00 2.50 O ATOM 0 H GLU A 77 -14.459 -0.493 4.278 1.00 0.96 H new ATOM 0 HA GLU A 77 -12.879 2.015 4.321 1.00 0.79 H new ATOM 0 HB2 GLU A 77 -15.882 1.635 4.500 1.00 0.92 H new ATOM 0 HB3 GLU A 77 -15.032 3.162 4.631 1.00 0.92 H new ATOM 0 HG2 GLU A 77 -13.957 2.529 2.317 1.00 0.96 H new ATOM 0 HG3 GLU A 77 -15.231 1.332 2.205 1.00 0.96 H new ATOM 1155 N PHE A 78 -12.661 2.046 6.741 1.00 0.52 N ATOM 1156 CA PHE A 78 -12.374 2.069 8.171 1.00 0.53 C ATOM 1157 C PHE A 78 -12.864 3.372 8.809 1.00 0.60 C ATOM 1158 O PHE A 78 -12.800 4.454 8.217 1.00 0.70 O ATOM 1159 CB PHE A 78 -10.880 1.836 8.440 1.00 0.50 C ATOM 1160 CG PHE A 78 -10.360 0.461 8.059 1.00 0.45 C ATOM 1161 CD1 PHE A 78 -10.091 0.152 6.711 1.00 1.87 C ATOM 1162 CD2 PHE A 78 -10.128 -0.508 9.054 1.00 2.08 C ATOM 1163 CE1 PHE A 78 -9.606 -1.120 6.361 1.00 1.86 C ATOM 1164 CE2 PHE A 78 -9.644 -1.780 8.703 1.00 2.17 C ATOM 1165 CZ PHE A 78 -9.394 -2.090 7.354 1.00 0.75 C ATOM 0 H PHE A 78 -12.019 2.620 6.195 1.00 0.52 H new ATOM 0 HA PHE A 78 -12.921 1.249 8.637 1.00 0.53 H new ATOM 0 HB2 PHE A 78 -10.308 2.587 7.895 1.00 0.50 H new ATOM 0 HB3 PHE A 78 -10.689 1.998 9.501 1.00 0.50 H new ATOM 0 HD1 PHE A 78 -10.258 0.894 5.945 1.00 1.87 H new ATOM 0 HD2 PHE A 78 -10.323 -0.273 10.090 1.00 2.08 H new ATOM 0 HE1 PHE A 78 -9.396 -1.352 5.327 1.00 1.86 H new ATOM 0 HE2 PHE A 78 -9.464 -2.520 9.469 1.00 2.17 H new ATOM 0 HZ PHE A 78 -9.039 -3.073 7.082 1.00 0.75 H new ATOM 1175 N ASP A 79 -13.334 3.208 10.042 1.00 0.59 N ATOM 1176 CA ASP A 79 -14.026 4.160 10.904 1.00 0.68 C ATOM 1177 C ASP A 79 -13.008 4.742 11.908 1.00 0.59 C ATOM 1178 O ASP A 79 -12.528 4.055 12.819 1.00 0.71 O ATOM 1179 CB ASP A 79 -15.177 3.346 11.535 1.00 1.05 C ATOM 1180 CG ASP A 79 -16.062 4.058 12.560 1.00 1.64 C ATOM 1181 OD1 ASP A 79 -16.809 4.997 12.205 1.00 1.89 O ATOM 1182 OD2 ASP A 79 -16.137 3.596 13.721 1.00 2.84 O ATOM 0 H ASP A 79 -13.228 2.309 10.511 1.00 0.59 H new ATOM 0 HA ASP A 79 -14.447 5.029 10.397 1.00 0.68 H new ATOM 0 HB2 ASP A 79 -15.817 2.987 10.729 1.00 1.05 H new ATOM 0 HB3 ASP A 79 -14.745 2.468 12.015 1.00 1.05 H new ATOM 1187 N ILE A 80 -12.611 6.003 11.689 1.00 0.58 N ATOM 1188 CA ILE A 80 -11.496 6.672 12.386 1.00 0.72 C ATOM 1189 C ILE A 80 -11.996 7.357 13.662 1.00 0.89 C ATOM 1190 O ILE A 80 -12.084 8.579 13.767 1.00 1.44 O ATOM 1191 CB ILE A 80 -10.729 7.630 11.436 1.00 0.89 C ATOM 1192 CG1 ILE A 80 -10.259 6.952 10.127 1.00 1.02 C ATOM 1193 CG2 ILE A 80 -9.497 8.237 12.145 1.00 1.30 C ATOM 1194 CD1 ILE A 80 -9.397 5.703 10.345 1.00 1.44 C ATOM 0 H ILE A 80 -13.067 6.605 11.004 1.00 0.58 H new ATOM 0 HA ILE A 80 -10.771 5.919 12.696 1.00 0.72 H new ATOM 0 HB ILE A 80 -11.443 8.410 11.171 1.00 0.89 H new ATOM 0 HG12 ILE A 80 -11.134 6.678 9.537 1.00 1.02 H new ATOM 0 HG13 ILE A 80 -9.692 7.674 9.540 1.00 1.02 H new ATOM 0 HG21 ILE A 80 -8.975 8.905 11.460 1.00 1.30 H new ATOM 0 HG22 ILE A 80 -9.821 8.798 13.022 1.00 1.30 H new ATOM 0 HG23 ILE A 80 -8.824 7.437 12.454 1.00 1.30 H new ATOM 0 HD11 ILE A 80 -9.108 5.287 9.380 1.00 1.44 H new ATOM 0 HD12 ILE A 80 -8.502 5.972 10.906 1.00 1.44 H new ATOM 0 HD13 ILE A 80 -9.967 4.961 10.904 1.00 1.44 H new ATOM 1206 N GLU A 81 -12.295 6.526 14.656 1.00 0.94 N ATOM 1207 CA GLU A 81 -12.760 6.904 15.994 1.00 1.14 C ATOM 1208 C GLU A 81 -11.637 7.564 16.828 1.00 1.10 C ATOM 1209 O GLU A 81 -11.159 7.024 17.828 1.00 1.12 O ATOM 1210 CB GLU A 81 -13.333 5.644 16.667 1.00 1.50 C ATOM 1211 CG GLU A 81 -14.644 5.155 16.027 1.00 2.43 C ATOM 1212 CD GLU A 81 -15.878 6.001 16.359 1.00 2.48 C ATOM 1213 OE1 GLU A 81 -16.181 6.180 17.558 1.00 2.77 O ATOM 1214 OE2 GLU A 81 -16.611 6.438 15.439 1.00 3.69 O ATOM 0 H GLU A 81 -12.216 5.515 14.547 1.00 0.94 H new ATOM 0 HA GLU A 81 -13.541 7.661 15.920 1.00 1.14 H new ATOM 0 HB2 GLU A 81 -12.593 4.846 16.617 1.00 1.50 H new ATOM 0 HB3 GLU A 81 -13.508 5.852 17.723 1.00 1.50 H new ATOM 0 HG2 GLU A 81 -14.517 5.133 14.945 1.00 2.43 H new ATOM 0 HG3 GLU A 81 -14.827 4.129 16.347 1.00 2.43 H new ATOM 1221 N GLY A 82 -11.186 8.746 16.396 1.00 1.33 N ATOM 1222 CA GLY A 82 -10.128 9.517 17.058 1.00 1.31 C ATOM 1223 C GLY A 82 -9.692 10.802 16.348 1.00 1.22 C ATOM 1224 O GLY A 82 -9.177 11.703 17.010 1.00 1.28 O ATOM 0 H GLY A 82 -11.553 9.202 15.561 1.00 1.33 H new ATOM 0 HA2 GLY A 82 -10.468 9.776 18.061 1.00 1.31 H new ATOM 0 HA3 GLY A 82 -9.255 8.875 17.173 1.00 1.31 H new ATOM 1228 N MET A 83 -9.872 10.918 15.026 1.00 1.28 N ATOM 1229 CA MET A 83 -9.484 12.134 14.292 1.00 1.22 C ATOM 1230 C MET A 83 -10.573 13.215 14.402 1.00 1.26 C ATOM 1231 O MET A 83 -11.757 12.897 14.484 1.00 1.53 O ATOM 1232 CB MET A 83 -9.077 11.801 12.841 1.00 1.09 C ATOM 1233 CG MET A 83 -10.235 11.773 11.836 1.00 0.89 C ATOM 1234 SD MET A 83 -10.640 13.422 11.195 1.00 2.32 S ATOM 1235 CE MET A 83 -12.442 13.280 11.193 1.00 3.15 C ATOM 0 H MET A 83 -10.282 10.189 14.443 1.00 1.28 H new ATOM 0 HA MET A 83 -8.595 12.560 14.757 1.00 1.22 H new ATOM 0 HB2 MET A 83 -8.343 12.535 12.507 1.00 1.09 H new ATOM 0 HB3 MET A 83 -8.583 10.829 12.831 1.00 1.09 H new ATOM 0 HG2 MET A 83 -9.975 11.118 11.005 1.00 0.89 H new ATOM 0 HG3 MET A 83 -11.117 11.346 12.314 1.00 0.89 H new ATOM 0 HE1 MET A 83 -12.885 14.270 11.087 1.00 3.15 H new ATOM 0 HE2 MET A 83 -12.756 12.650 10.361 1.00 3.15 H new ATOM 0 HE3 MET A 83 -12.773 12.834 12.131 1.00 3.15 H new ATOM 1245 N THR A 84 -10.171 14.491 14.400 1.00 1.49 N ATOM 1246 CA THR A 84 -11.066 15.657 14.554 1.00 1.63 C ATOM 1247 C THR A 84 -10.688 16.837 13.654 1.00 1.64 C ATOM 1248 O THR A 84 -11.112 17.963 13.908 1.00 2.08 O ATOM 1249 CB THR A 84 -11.096 16.094 16.027 1.00 1.99 C ATOM 1250 OG1 THR A 84 -9.779 16.400 16.433 1.00 2.16 O ATOM 1251 CG2 THR A 84 -11.659 15.016 16.953 1.00 2.16 C ATOM 0 H THR A 84 -9.192 14.754 14.289 1.00 1.49 H new ATOM 0 HA THR A 84 -12.059 15.340 14.236 1.00 1.63 H new ATOM 0 HB THR A 84 -11.752 16.962 16.100 1.00 1.99 H new ATOM 0 HG1 THR A 84 -9.783 16.682 17.371 1.00 2.16 H new ATOM 0 HG21 THR A 84 -11.656 15.381 17.980 1.00 2.16 H new ATOM 0 HG22 THR A 84 -12.680 14.778 16.656 1.00 2.16 H new ATOM 0 HG23 THR A 84 -11.043 14.119 16.884 1.00 2.16 H new ATOM 1259 N CYS A 85 -9.854 16.612 12.634 1.00 1.38 N ATOM 1260 CA CYS A 85 -9.218 17.645 11.806 1.00 1.44 C ATOM 1261 C CYS A 85 -8.465 17.012 10.627 1.00 1.25 C ATOM 1262 O CYS A 85 -7.947 15.897 10.742 1.00 1.17 O ATOM 1263 CB CYS A 85 -8.295 18.515 12.691 1.00 1.74 C ATOM 1264 SG CYS A 85 -7.458 19.804 11.719 1.00 2.54 S ATOM 0 H CYS A 85 -9.592 15.668 12.350 1.00 1.38 H new ATOM 0 HA CYS A 85 -9.983 18.292 11.376 1.00 1.44 H new ATOM 0 HB2 CYS A 85 -8.882 18.979 13.484 1.00 1.74 H new ATOM 0 HB3 CYS A 85 -7.551 17.882 13.174 1.00 1.74 H new ATOM 0 HG CYS A 85 -6.697 20.511 12.500 1.00 2.54 H new ATOM 1270 N ALA A 86 -8.334 17.755 9.523 1.00 1.24 N ATOM 1271 CA ALA A 86 -7.532 17.381 8.356 1.00 1.18 C ATOM 1272 C ALA A 86 -6.067 17.062 8.708 1.00 1.18 C ATOM 1273 O ALA A 86 -5.502 16.135 8.137 1.00 1.14 O ATOM 1274 CB ALA A 86 -7.639 18.509 7.322 1.00 1.26 C ATOM 0 H ALA A 86 -8.796 18.658 9.415 1.00 1.24 H new ATOM 0 HA ALA A 86 -7.927 16.454 7.940 1.00 1.18 H new ATOM 0 HB1 ALA A 86 -7.049 18.253 6.442 1.00 1.26 H new ATOM 0 HB2 ALA A 86 -8.682 18.641 7.034 1.00 1.26 H new ATOM 0 HB3 ALA A 86 -7.262 19.436 7.754 1.00 1.26 H new ATOM 1280 N ALA A 87 -5.478 17.746 9.697 1.00 1.30 N ATOM 1281 CA ALA A 87 -4.143 17.426 10.207 1.00 1.37 C ATOM 1282 C ALA A 87 -4.073 16.016 10.825 1.00 1.33 C ATOM 1283 O ALA A 87 -3.111 15.286 10.597 1.00 1.46 O ATOM 1284 CB ALA A 87 -3.741 18.512 11.216 1.00 1.55 C ATOM 0 H ALA A 87 -5.917 18.539 10.166 1.00 1.30 H new ATOM 0 HA ALA A 87 -3.436 17.414 9.377 1.00 1.37 H new ATOM 0 HB1 ALA A 87 -2.748 18.294 11.609 1.00 1.55 H new ATOM 0 HB2 ALA A 87 -3.729 19.483 10.720 1.00 1.55 H new ATOM 0 HB3 ALA A 87 -4.460 18.531 12.035 1.00 1.55 H new ATOM 1290 N CYS A 88 -5.100 15.603 11.576 1.00 1.24 N ATOM 1291 CA CYS A 88 -5.190 14.263 12.171 1.00 1.20 C ATOM 1292 C CYS A 88 -5.425 13.181 11.111 1.00 1.02 C ATOM 1293 O CYS A 88 -4.774 12.138 11.162 1.00 1.06 O ATOM 1294 CB CYS A 88 -6.265 14.267 13.273 1.00 1.26 C ATOM 1295 SG CYS A 88 -5.800 15.468 14.556 1.00 1.69 S ATOM 0 H CYS A 88 -5.902 16.196 11.791 1.00 1.24 H new ATOM 0 HA CYS A 88 -4.235 14.010 12.631 1.00 1.20 H new ATOM 0 HB2 CYS A 88 -7.236 14.526 12.850 1.00 1.26 H new ATOM 0 HB3 CYS A 88 -6.362 13.272 13.707 1.00 1.26 H new ATOM 0 HG CYS A 88 -6.705 15.478 15.489 1.00 1.69 H new ATOM 1301 N ALA A 89 -6.294 13.452 10.133 1.00 0.89 N ATOM 1302 CA ALA A 89 -6.496 12.593 8.967 1.00 0.77 C ATOM 1303 C ALA A 89 -5.184 12.393 8.188 1.00 0.87 C ATOM 1304 O ALA A 89 -4.705 11.266 8.077 1.00 0.89 O ATOM 1305 CB ALA A 89 -7.608 13.211 8.105 1.00 0.77 C ATOM 0 H ALA A 89 -6.883 14.285 10.130 1.00 0.89 H new ATOM 0 HA ALA A 89 -6.806 11.596 9.280 1.00 0.77 H new ATOM 0 HB1 ALA A 89 -7.777 12.587 7.227 1.00 0.77 H new ATOM 0 HB2 ALA A 89 -8.527 13.275 8.688 1.00 0.77 H new ATOM 0 HB3 ALA A 89 -7.310 14.210 7.788 1.00 0.77 H new ATOM 1311 N ASN A 90 -4.546 13.469 7.718 1.00 0.98 N ATOM 1312 CA ASN A 90 -3.322 13.387 6.915 1.00 1.17 C ATOM 1313 C ASN A 90 -2.138 12.749 7.679 1.00 1.22 C ATOM 1314 O ASN A 90 -1.365 11.994 7.085 1.00 1.30 O ATOM 1315 CB ASN A 90 -2.990 14.779 6.357 1.00 1.40 C ATOM 1316 CG ASN A 90 -1.816 14.753 5.382 1.00 1.92 C ATOM 1317 OD1 ASN A 90 -0.767 15.325 5.650 1.00 2.50 O ATOM 1318 ND2 ASN A 90 -1.936 14.093 4.242 1.00 2.50 N ATOM 0 H ASN A 90 -4.864 14.424 7.884 1.00 0.98 H new ATOM 0 HA ASN A 90 -3.503 12.710 6.080 1.00 1.17 H new ATOM 0 HB2 ASN A 90 -3.868 15.184 5.853 1.00 1.40 H new ATOM 0 HB3 ASN A 90 -2.758 15.452 7.182 1.00 1.40 H new ATOM 0 HD21 ASN A 90 -1.155 14.061 3.587 1.00 2.50 H new ATOM 0 HD22 ASN A 90 -2.810 13.616 4.018 1.00 2.50 H new ATOM 1325 N ARG A 91 -2.035 12.952 9.004 1.00 1.23 N ATOM 1326 CA ARG A 91 -1.045 12.272 9.855 1.00 1.35 C ATOM 1327 C ARG A 91 -1.180 10.743 9.856 1.00 1.24 C ATOM 1328 O ARG A 91 -0.155 10.065 9.864 1.00 1.41 O ATOM 1329 CB ARG A 91 -1.096 12.822 11.291 1.00 1.46 C ATOM 1330 CG ARG A 91 -0.258 14.105 11.381 1.00 1.78 C ATOM 1331 CD ARG A 91 -0.511 14.887 12.674 1.00 2.01 C ATOM 1332 NE ARG A 91 0.344 16.087 12.760 1.00 2.88 N ATOM 1333 CZ ARG A 91 0.091 17.200 13.438 1.00 3.36 C ATOM 1334 NH1 ARG A 91 -1.004 17.367 14.148 1.00 3.44 N ATOM 1335 NH2 ARG A 91 0.973 18.170 13.406 1.00 4.43 N ATOM 0 H ARG A 91 -2.639 13.595 9.516 1.00 1.23 H new ATOM 0 HA ARG A 91 -0.070 12.489 9.418 1.00 1.35 H new ATOM 0 HB2 ARG A 91 -2.128 13.029 11.576 1.00 1.46 H new ATOM 0 HB3 ARG A 91 -0.716 12.077 11.990 1.00 1.46 H new ATOM 0 HG2 ARG A 91 0.799 13.849 11.317 1.00 1.78 H new ATOM 0 HG3 ARG A 91 -0.484 14.742 10.526 1.00 1.78 H new ATOM 0 HD2 ARG A 91 -1.559 15.182 12.722 1.00 2.01 H new ATOM 0 HD3 ARG A 91 -0.322 14.243 13.532 1.00 2.01 H new ATOM 0 HE ARG A 91 1.223 16.058 12.243 1.00 2.88 H new ATOM 0 HH11 ARG A 91 -1.701 16.623 14.193 1.00 3.44 H new ATOM 0 HH12 ARG A 91 -1.156 18.240 14.653 1.00 3.44 H new ATOM 0 HH21 ARG A 91 1.832 18.060 12.868 1.00 4.43 H new ATOM 0 HH22 ARG A 91 0.800 19.034 13.919 1.00 4.43 H new ATOM 1349 N ILE A 92 -2.395 10.176 9.827 1.00 1.01 N ATOM 1350 CA ILE A 92 -2.551 8.718 9.625 1.00 0.94 C ATOM 1351 C ILE A 92 -2.486 8.320 8.144 1.00 0.97 C ATOM 1352 O ILE A 92 -1.887 7.290 7.843 1.00 1.05 O ATOM 1353 CB ILE A 92 -3.776 8.125 10.361 1.00 0.82 C ATOM 1354 CG1 ILE A 92 -5.134 8.656 9.858 1.00 0.81 C ATOM 1355 CG2 ILE A 92 -3.614 8.325 11.881 1.00 0.92 C ATOM 1356 CD1 ILE A 92 -6.329 7.846 10.370 1.00 0.85 C ATOM 0 H ILE A 92 -3.271 10.687 9.938 1.00 1.01 H new ATOM 0 HA ILE A 92 -1.685 8.257 10.100 1.00 0.94 H new ATOM 0 HB ILE A 92 -3.796 7.060 10.132 1.00 0.82 H new ATOM 0 HG12 ILE A 92 -5.248 9.694 10.169 1.00 0.81 H new ATOM 0 HG13 ILE A 92 -5.138 8.647 8.768 1.00 0.81 H new ATOM 0 HG21 ILE A 92 -4.478 7.907 12.397 1.00 0.92 H new ATOM 0 HG22 ILE A 92 -2.709 7.820 12.220 1.00 0.92 H new ATOM 0 HG23 ILE A 92 -3.540 9.390 12.102 1.00 0.92 H new ATOM 0 HD11 ILE A 92 -7.252 8.273 9.979 1.00 0.85 H new ATOM 0 HD12 ILE A 92 -6.237 6.812 10.037 1.00 0.85 H new ATOM 0 HD13 ILE A 92 -6.349 7.876 11.459 1.00 0.85 H new ATOM 1368 N GLU A 93 -3.015 9.147 7.232 1.00 0.96 N ATOM 1369 CA GLU A 93 -3.006 8.934 5.777 1.00 1.00 C ATOM 1370 C GLU A 93 -1.601 8.603 5.274 1.00 1.12 C ATOM 1371 O GLU A 93 -1.410 7.589 4.612 1.00 1.16 O ATOM 1372 CB GLU A 93 -3.546 10.186 5.059 1.00 0.99 C ATOM 1373 CG GLU A 93 -3.837 9.970 3.571 1.00 1.05 C ATOM 1374 CD GLU A 93 -4.424 11.234 2.943 1.00 1.53 C ATOM 1375 OE1 GLU A 93 -3.668 12.220 2.783 1.00 1.85 O ATOM 1376 OE2 GLU A 93 -5.628 11.224 2.594 1.00 2.75 O ATOM 0 H GLU A 93 -3.479 10.016 7.497 1.00 0.96 H new ATOM 0 HA GLU A 93 -3.651 8.084 5.554 1.00 1.00 H new ATOM 0 HB2 GLU A 93 -4.461 10.511 5.555 1.00 0.99 H new ATOM 0 HB3 GLU A 93 -2.822 10.994 5.164 1.00 0.99 H new ATOM 0 HG2 GLU A 93 -2.919 9.694 3.053 1.00 1.05 H new ATOM 0 HG3 GLU A 93 -4.534 9.141 3.449 1.00 1.05 H new ATOM 1383 N LYS A 94 -0.587 9.389 5.655 1.00 1.21 N ATOM 1384 CA LYS A 94 0.804 9.160 5.246 1.00 1.37 C ATOM 1385 C LYS A 94 1.330 7.741 5.542 1.00 1.48 C ATOM 1386 O LYS A 94 2.221 7.270 4.835 1.00 1.75 O ATOM 1387 CB LYS A 94 1.708 10.224 5.904 1.00 1.46 C ATOM 1388 CG LYS A 94 2.326 11.154 4.853 1.00 1.77 C ATOM 1389 CD LYS A 94 3.391 12.053 5.501 1.00 2.08 C ATOM 1390 CE LYS A 94 4.044 12.933 4.434 1.00 3.22 C ATOM 1391 NZ LYS A 94 5.173 13.728 4.974 1.00 3.47 N ATOM 0 H LYS A 94 -0.708 10.204 6.257 1.00 1.21 H new ATOM 0 HA LYS A 94 0.829 9.251 4.160 1.00 1.37 H new ATOM 0 HB2 LYS A 94 1.126 10.810 6.615 1.00 1.46 H new ATOM 0 HB3 LYS A 94 2.500 9.733 6.469 1.00 1.46 H new ATOM 0 HG2 LYS A 94 2.775 10.564 4.054 1.00 1.77 H new ATOM 0 HG3 LYS A 94 1.549 11.768 4.398 1.00 1.77 H new ATOM 0 HD2 LYS A 94 2.935 12.676 6.270 1.00 2.08 H new ATOM 0 HD3 LYS A 94 4.147 11.441 5.993 1.00 2.08 H new ATOM 0 HE2 LYS A 94 4.402 12.305 3.618 1.00 3.22 H new ATOM 0 HE3 LYS A 94 3.297 13.606 4.014 1.00 3.22 H new ATOM 0 HZ1 LYS A 94 5.584 14.308 4.215 1.00 3.47 H new ATOM 0 HZ2 LYS A 94 4.829 14.347 5.735 1.00 3.47 H new ATOM 0 HZ3 LYS A 94 5.900 13.087 5.351 1.00 3.47 H new ATOM 1405 N ARG A 95 0.794 7.066 6.570 1.00 1.31 N ATOM 1406 CA ARG A 95 1.101 5.670 6.900 1.00 1.29 C ATOM 1407 C ARG A 95 0.144 4.714 6.169 1.00 1.26 C ATOM 1408 O ARG A 95 0.613 3.820 5.460 1.00 1.37 O ATOM 1409 CB ARG A 95 1.082 5.518 8.433 1.00 1.30 C ATOM 1410 CG ARG A 95 1.669 4.189 8.941 1.00 1.99 C ATOM 1411 CD ARG A 95 2.125 4.365 10.401 1.00 1.76 C ATOM 1412 NE ARG A 95 2.541 3.122 11.074 1.00 2.68 N ATOM 1413 CZ ARG A 95 3.587 2.341 10.816 1.00 2.82 C ATOM 1414 NH1 ARG A 95 4.359 2.487 9.763 1.00 2.75 N ATOM 1415 NH2 ARG A 95 3.909 1.367 11.631 1.00 3.89 N ATOM 0 H ARG A 95 0.119 7.487 7.209 1.00 1.31 H new ATOM 0 HA ARG A 95 2.097 5.397 6.552 1.00 1.29 H new ATOM 0 HB2 ARG A 95 1.641 6.342 8.876 1.00 1.30 H new ATOM 0 HB3 ARG A 95 0.054 5.606 8.783 1.00 1.30 H new ATOM 0 HG2 ARG A 95 0.922 3.398 8.873 1.00 1.99 H new ATOM 0 HG3 ARG A 95 2.511 3.887 8.318 1.00 1.99 H new ATOM 0 HD2 ARG A 95 2.956 5.070 10.424 1.00 1.76 H new ATOM 0 HD3 ARG A 95 1.310 4.814 10.969 1.00 1.76 H new ATOM 0 HE ARG A 95 1.945 2.818 11.844 1.00 2.68 H new ATOM 0 HH11 ARG A 95 4.170 3.230 9.091 1.00 2.75 H new ATOM 0 HH12 ARG A 95 5.148 1.857 9.618 1.00 2.75 H new ATOM 0 HH21 ARG A 95 3.356 1.202 12.472 1.00 3.89 H new ATOM 0 HH22 ARG A 95 4.713 0.774 11.424 1.00 3.89 H new ATOM 1429 N LEU A 96 -1.173 4.933 6.301 1.00 1.14 N ATOM 1430 CA LEU A 96 -2.254 4.143 5.690 1.00 1.12 C ATOM 1431 C LEU A 96 -2.094 3.951 4.179 1.00 1.20 C ATOM 1432 O LEU A 96 -2.335 2.856 3.692 1.00 1.29 O ATOM 1433 CB LEU A 96 -3.604 4.830 6.003 1.00 1.03 C ATOM 1434 CG LEU A 96 -4.369 4.302 7.232 1.00 1.02 C ATOM 1435 CD1 LEU A 96 -5.021 2.942 6.939 1.00 1.09 C ATOM 1436 CD2 LEU A 96 -3.517 4.214 8.506 1.00 1.01 C ATOM 0 H LEU A 96 -1.531 5.704 6.865 1.00 1.14 H new ATOM 0 HA LEU A 96 -2.214 3.143 6.121 1.00 1.12 H new ATOM 0 HB2 LEU A 96 -3.421 5.895 6.145 1.00 1.03 H new ATOM 0 HB3 LEU A 96 -4.249 4.731 5.130 1.00 1.03 H new ATOM 0 HG LEU A 96 -5.144 5.043 7.428 1.00 1.02 H new ATOM 0 HD11 LEU A 96 -5.553 2.595 7.825 1.00 1.09 H new ATOM 0 HD12 LEU A 96 -5.723 3.046 6.111 1.00 1.09 H new ATOM 0 HD13 LEU A 96 -4.250 2.219 6.673 1.00 1.09 H new ATOM 0 HD21 LEU A 96 -4.127 3.834 9.326 1.00 1.01 H new ATOM 0 HD22 LEU A 96 -2.677 3.541 8.336 1.00 1.01 H new ATOM 0 HD23 LEU A 96 -3.142 5.205 8.762 1.00 1.01 H new ATOM 1448 N ASN A 97 -1.654 4.985 3.458 1.00 1.23 N ATOM 1449 CA ASN A 97 -1.597 5.038 1.994 1.00 1.42 C ATOM 1450 C ASN A 97 -0.898 3.835 1.328 1.00 1.61 C ATOM 1451 O ASN A 97 -1.268 3.463 0.217 1.00 1.84 O ATOM 1452 CB ASN A 97 -0.907 6.357 1.621 1.00 1.54 C ATOM 1453 CG ASN A 97 -1.203 6.816 0.206 1.00 1.80 C ATOM 1454 OD1 ASN A 97 -0.359 6.739 -0.677 1.00 1.97 O ATOM 1455 ND2 ASN A 97 -2.381 7.367 -0.023 1.00 2.15 N ATOM 0 H ASN A 97 -1.314 5.842 3.894 1.00 1.23 H new ATOM 0 HA ASN A 97 -2.617 4.987 1.612 1.00 1.42 H new ATOM 0 HB2 ASN A 97 -1.222 7.133 2.319 1.00 1.54 H new ATOM 0 HB3 ASN A 97 0.170 6.240 1.739 1.00 1.54 H new ATOM 0 HD21 ASN A 97 -2.600 7.737 -0.948 1.00 2.15 H new ATOM 0 HD22 ASN A 97 -3.072 7.422 0.725 1.00 2.15 H new ATOM 1462 N LYS A 98 0.103 3.240 1.998 1.00 1.65 N ATOM 1463 CA LYS A 98 0.864 2.073 1.522 1.00 1.90 C ATOM 1464 C LYS A 98 1.086 0.958 2.569 1.00 2.35 C ATOM 1465 O LYS A 98 1.089 -0.216 2.186 1.00 4.04 O ATOM 1466 CB LYS A 98 2.204 2.579 0.952 1.00 1.78 C ATOM 1467 CG LYS A 98 2.016 2.984 -0.517 1.00 2.27 C ATOM 1468 CD LYS A 98 3.214 3.726 -1.119 1.00 2.32 C ATOM 1469 CE LYS A 98 3.158 5.203 -0.713 1.00 2.11 C ATOM 1470 NZ LYS A 98 3.909 6.056 -1.660 1.00 2.67 N ATOM 0 H LYS A 98 0.414 3.567 2.913 1.00 1.65 H new ATOM 0 HA LYS A 98 0.261 1.587 0.755 1.00 1.90 H new ATOM 0 HB2 LYS A 98 2.560 3.430 1.532 1.00 1.78 H new ATOM 0 HB3 LYS A 98 2.962 1.800 1.031 1.00 1.78 H new ATOM 0 HG2 LYS A 98 1.822 2.089 -1.108 1.00 2.27 H new ATOM 0 HG3 LYS A 98 1.132 3.617 -0.598 1.00 2.27 H new ATOM 0 HD2 LYS A 98 4.145 3.278 -0.772 1.00 2.32 H new ATOM 0 HD3 LYS A 98 3.203 3.636 -2.205 1.00 2.32 H new ATOM 0 HE2 LYS A 98 2.119 5.531 -0.672 1.00 2.11 H new ATOM 0 HE3 LYS A 98 3.569 5.321 0.289 1.00 2.11 H new ATOM 0 HZ1 LYS A 98 4.009 7.012 -1.262 1.00 2.67 H new ATOM 0 HZ2 LYS A 98 4.852 5.648 -1.822 1.00 2.67 H new ATOM 0 HZ3 LYS A 98 3.395 6.109 -2.562 1.00 2.67 H new ATOM 1484 N ILE A 99 1.246 1.301 3.860 1.00 1.12 N ATOM 1485 CA ILE A 99 1.790 0.443 4.945 1.00 1.13 C ATOM 1486 C ILE A 99 2.777 -0.604 4.401 1.00 1.28 C ATOM 1487 O ILE A 99 3.853 -0.226 3.952 1.00 2.11 O ATOM 1488 CB ILE A 99 0.693 -0.102 5.907 1.00 1.11 C ATOM 1489 CG1 ILE A 99 -0.269 1.010 6.384 1.00 1.22 C ATOM 1490 CG2 ILE A 99 1.343 -0.743 7.158 1.00 1.14 C ATOM 1491 CD1 ILE A 99 -1.482 0.498 7.165 1.00 1.52 C ATOM 0 H ILE A 99 0.989 2.228 4.198 1.00 1.12 H new ATOM 0 HA ILE A 99 2.390 1.078 5.597 1.00 1.13 H new ATOM 0 HB ILE A 99 0.126 -0.843 5.343 1.00 1.11 H new ATOM 0 HG12 ILE A 99 0.284 1.709 7.011 1.00 1.22 H new ATOM 0 HG13 ILE A 99 -0.619 1.569 5.516 1.00 1.22 H new ATOM 0 HG21 ILE A 99 0.564 -1.119 7.821 1.00 1.14 H new ATOM 0 HG22 ILE A 99 1.987 -1.567 6.851 1.00 1.14 H new ATOM 0 HG23 ILE A 99 1.936 0.005 7.684 1.00 1.14 H new ATOM 0 HD11 ILE A 99 -2.105 1.341 7.463 1.00 1.52 H new ATOM 0 HD12 ILE A 99 -2.061 -0.177 6.535 1.00 1.52 H new ATOM 0 HD13 ILE A 99 -1.144 -0.035 8.054 1.00 1.52 H new ATOM 1503 N GLU A 100 2.387 -1.876 4.386 1.00 1.47 N ATOM 1504 CA GLU A 100 2.952 -2.914 3.543 1.00 1.69 C ATOM 1505 C GLU A 100 1.736 -3.561 2.882 1.00 1.75 C ATOM 1506 O GLU A 100 0.833 -4.049 3.560 1.00 2.14 O ATOM 1507 CB GLU A 100 3.794 -3.898 4.378 1.00 2.06 C ATOM 1508 CG GLU A 100 4.326 -5.078 3.550 1.00 3.43 C ATOM 1509 CD GLU A 100 5.571 -5.697 4.190 1.00 3.83 C ATOM 1510 OE1 GLU A 100 5.449 -6.568 5.087 1.00 4.17 O ATOM 1511 OE2 GLU A 100 6.691 -5.294 3.802 1.00 4.52 O ATOM 0 H GLU A 100 1.638 -2.221 4.987 1.00 1.47 H new ATOM 0 HA GLU A 100 3.647 -2.537 2.793 1.00 1.69 H new ATOM 0 HB2 GLU A 100 4.634 -3.364 4.822 1.00 2.06 H new ATOM 0 HB3 GLU A 100 3.189 -4.280 5.200 1.00 2.06 H new ATOM 0 HG2 GLU A 100 3.549 -5.837 3.455 1.00 3.43 H new ATOM 0 HG3 GLU A 100 4.565 -4.738 2.542 1.00 3.43 H new ATOM 1518 N GLY A 101 1.664 -3.478 1.555 1.00 1.60 N ATOM 1519 CA GLY A 101 0.637 -4.152 0.756 1.00 1.66 C ATOM 1520 C GLY A 101 -0.604 -3.326 0.416 1.00 1.59 C ATOM 1521 O GLY A 101 -1.464 -3.857 -0.292 1.00 1.84 O ATOM 0 H GLY A 101 2.323 -2.936 0.996 1.00 1.60 H new ATOM 0 HA2 GLY A 101 1.093 -4.486 -0.176 1.00 1.66 H new ATOM 0 HA3 GLY A 101 0.317 -5.046 1.292 1.00 1.66 H new ATOM 1525 N VAL A 102 -0.703 -2.073 0.873 1.00 1.50 N ATOM 1526 CA VAL A 102 -1.817 -1.165 0.535 1.00 1.48 C ATOM 1527 C VAL A 102 -1.550 -0.476 -0.807 1.00 1.69 C ATOM 1528 O VAL A 102 -0.444 0.000 -1.062 1.00 1.90 O ATOM 1529 CB VAL A 102 -2.163 -0.148 1.652 1.00 1.47 C ATOM 1530 CG1 VAL A 102 -3.439 0.642 1.324 1.00 2.38 C ATOM 1531 CG2 VAL A 102 -2.332 -0.834 3.022 1.00 1.91 C ATOM 0 H VAL A 102 -0.010 -1.653 1.492 1.00 1.50 H new ATOM 0 HA VAL A 102 -2.708 -1.785 0.442 1.00 1.48 H new ATOM 0 HB VAL A 102 -1.321 0.542 1.705 1.00 1.47 H new ATOM 0 HG11 VAL A 102 -3.649 1.345 2.130 1.00 2.38 H new ATOM 0 HG12 VAL A 102 -3.298 1.190 0.392 1.00 2.38 H new ATOM 0 HG13 VAL A 102 -4.276 -0.048 1.216 1.00 2.38 H new ATOM 0 HG21 VAL A 102 -2.574 -0.085 3.776 1.00 1.91 H new ATOM 0 HG22 VAL A 102 -3.138 -1.566 2.966 1.00 1.91 H new ATOM 0 HG23 VAL A 102 -1.404 -1.337 3.294 1.00 1.91 H new ATOM 1541 N ALA A 103 -2.571 -0.459 -1.666 1.00 1.72 N ATOM 1542 CA ALA A 103 -2.550 0.103 -3.015 1.00 2.00 C ATOM 1543 C ALA A 103 -3.079 1.547 -3.055 1.00 2.06 C ATOM 1544 O ALA A 103 -2.521 2.369 -3.781 1.00 2.46 O ATOM 1545 CB ALA A 103 -3.382 -0.835 -3.906 1.00 2.09 C ATOM 0 H ALA A 103 -3.479 -0.857 -1.426 1.00 1.72 H new ATOM 0 HA ALA A 103 -1.524 0.167 -3.378 1.00 2.00 H new ATOM 0 HB1 ALA A 103 -3.393 -0.452 -4.926 1.00 2.09 H new ATOM 0 HB2 ALA A 103 -2.941 -1.832 -3.897 1.00 2.09 H new ATOM 0 HB3 ALA A 103 -4.402 -0.887 -3.527 1.00 2.09 H new ATOM 1551 N ASN A 104 -4.132 1.851 -2.284 1.00 1.73 N ATOM 1552 CA ASN A 104 -4.639 3.209 -2.055 1.00 1.64 C ATOM 1553 C ASN A 104 -5.182 3.376 -0.625 1.00 1.27 C ATOM 1554 O ASN A 104 -5.832 2.466 -0.115 1.00 1.20 O ATOM 1555 CB ASN A 104 -5.780 3.570 -3.016 1.00 1.87 C ATOM 1556 CG ASN A 104 -5.291 3.775 -4.435 1.00 2.21 C ATOM 1557 OD1 ASN A 104 -4.928 4.871 -4.845 1.00 2.34 O ATOM 1558 ND2 ASN A 104 -5.263 2.711 -5.202 1.00 2.52 N ATOM 0 H ASN A 104 -4.669 1.139 -1.789 1.00 1.73 H new ATOM 0 HA ASN A 104 -3.787 3.869 -2.222 1.00 1.64 H new ATOM 0 HB2 ASN A 104 -6.528 2.778 -3.003 1.00 1.87 H new ATOM 0 HB3 ASN A 104 -6.272 4.479 -2.668 1.00 1.87 H new ATOM 0 HD21 ASN A 104 -4.933 2.785 -6.164 1.00 2.52 H new ATOM 0 HD22 ASN A 104 -5.571 1.810 -4.836 1.00 2.52 H new ATOM 1565 N ALA A 105 -5.046 4.578 -0.049 1.00 1.11 N ATOM 1566 CA ALA A 105 -5.873 5.041 1.075 1.00 0.98 C ATOM 1567 C ALA A 105 -5.861 6.582 1.207 1.00 0.86 C ATOM 1568 O ALA A 105 -4.877 7.127 1.721 1.00 1.07 O ATOM 1569 CB ALA A 105 -5.442 4.353 2.383 1.00 1.05 C ATOM 0 H ALA A 105 -4.353 5.263 -0.352 1.00 1.11 H new ATOM 0 HA ALA A 105 -6.905 4.756 0.868 1.00 0.98 H new ATOM 0 HB1 ALA A 105 -6.065 4.708 3.204 1.00 1.05 H new ATOM 0 HB2 ALA A 105 -5.556 3.274 2.281 1.00 1.05 H new ATOM 0 HB3 ALA A 105 -4.399 4.589 2.592 1.00 1.05 H new ATOM 1575 N PRO A 106 -6.905 7.287 0.719 1.00 0.82 N ATOM 1576 CA PRO A 106 -7.207 8.675 1.077 1.00 0.81 C ATOM 1577 C PRO A 106 -8.133 8.736 2.307 1.00 0.72 C ATOM 1578 O PRO A 106 -9.130 8.015 2.356 1.00 0.73 O ATOM 1579 CB PRO A 106 -7.891 9.260 -0.164 1.00 0.96 C ATOM 1580 CG PRO A 106 -8.618 8.056 -0.768 1.00 1.04 C ATOM 1581 CD PRO A 106 -7.679 6.889 -0.454 1.00 0.97 C ATOM 0 HA PRO A 106 -6.312 9.235 1.349 1.00 0.81 H new ATOM 0 HB2 PRO A 106 -8.585 10.058 0.098 1.00 0.96 H new ATOM 0 HB3 PRO A 106 -7.167 9.683 -0.860 1.00 0.96 H new ATOM 0 HG2 PRO A 106 -9.602 7.913 -0.321 1.00 1.04 H new ATOM 0 HG3 PRO A 106 -8.770 8.174 -1.841 1.00 1.04 H new ATOM 0 HD2 PRO A 106 -8.244 5.978 -0.256 1.00 0.97 H new ATOM 0 HD3 PRO A 106 -7.023 6.680 -1.299 1.00 0.97 H new ATOM 1589 N VAL A 107 -7.826 9.601 3.285 1.00 0.73 N ATOM 1590 CA VAL A 107 -8.560 9.678 4.576 1.00 0.62 C ATOM 1591 C VAL A 107 -9.485 10.902 4.612 1.00 0.73 C ATOM 1592 O VAL A 107 -9.044 12.033 4.406 1.00 0.98 O ATOM 1593 CB VAL A 107 -7.604 9.736 5.795 1.00 0.62 C ATOM 1594 CG1 VAL A 107 -8.352 9.784 7.144 1.00 0.63 C ATOM 1595 CG2 VAL A 107 -6.602 8.569 5.869 1.00 0.67 C ATOM 0 H VAL A 107 -7.062 10.272 3.212 1.00 0.73 H new ATOM 0 HA VAL A 107 -9.152 8.765 4.644 1.00 0.62 H new ATOM 0 HB VAL A 107 -7.057 10.664 5.630 1.00 0.62 H new ATOM 0 HG11 VAL A 107 -7.630 9.824 7.959 1.00 0.63 H new ATOM 0 HG12 VAL A 107 -8.986 10.670 7.177 1.00 0.63 H new ATOM 0 HG13 VAL A 107 -8.970 8.892 7.249 1.00 0.63 H new ATOM 0 HG21 VAL A 107 -5.971 8.686 6.750 1.00 0.67 H new ATOM 0 HG22 VAL A 107 -7.145 7.626 5.934 1.00 0.67 H new ATOM 0 HG23 VAL A 107 -5.979 8.567 4.975 1.00 0.67 H new ATOM 1605 N ASN A 108 -10.765 10.691 4.942 1.00 0.68 N ATOM 1606 CA ASN A 108 -11.742 11.768 5.117 1.00 0.92 C ATOM 1607 C ASN A 108 -11.645 12.442 6.500 1.00 1.06 C ATOM 1608 O ASN A 108 -11.484 11.788 7.530 1.00 1.58 O ATOM 1609 CB ASN A 108 -13.152 11.230 4.867 1.00 1.04 C ATOM 1610 CG ASN A 108 -14.113 12.343 4.503 1.00 1.96 C ATOM 1611 OD1 ASN A 108 -14.333 13.277 5.267 1.00 2.91 O ATOM 1612 ND2 ASN A 108 -14.700 12.259 3.331 1.00 2.14 N ATOM 0 H ASN A 108 -11.153 9.760 5.096 1.00 0.68 H new ATOM 0 HA ASN A 108 -11.513 12.543 4.385 1.00 0.92 H new ATOM 0 HB2 ASN A 108 -13.125 10.494 4.064 1.00 1.04 H new ATOM 0 HB3 ASN A 108 -13.510 10.716 5.759 1.00 1.04 H new ATOM 0 HD21 ASN A 108 -15.357 12.982 3.037 1.00 2.14 H new ATOM 0 HD22 ASN A 108 -14.499 11.471 2.715 1.00 2.14 H new ATOM 1619 N PHE A 109 -11.810 13.767 6.520 1.00 1.17 N ATOM 1620 CA PHE A 109 -11.586 14.633 7.683 1.00 1.29 C ATOM 1621 C PHE A 109 -12.865 15.240 8.284 1.00 1.35 C ATOM 1622 O PHE A 109 -12.781 15.995 9.250 1.00 1.79 O ATOM 1623 CB PHE A 109 -10.606 15.738 7.261 1.00 1.57 C ATOM 1624 CG PHE A 109 -11.143 16.660 6.177 1.00 1.74 C ATOM 1625 CD1 PHE A 109 -10.945 16.345 4.819 1.00 2.48 C ATOM 1626 CD2 PHE A 109 -11.889 17.804 6.523 1.00 2.70 C ATOM 1627 CE1 PHE A 109 -11.512 17.152 3.817 1.00 3.31 C ATOM 1628 CE2 PHE A 109 -12.449 18.616 5.520 1.00 3.26 C ATOM 1629 CZ PHE A 109 -12.266 18.286 4.166 1.00 3.35 C ATOM 0 H PHE A 109 -12.115 14.287 5.697 1.00 1.17 H new ATOM 0 HA PHE A 109 -11.177 14.014 8.482 1.00 1.29 H new ATOM 0 HB2 PHE A 109 -10.348 16.334 8.136 1.00 1.57 H new ATOM 0 HB3 PHE A 109 -9.684 15.276 6.907 1.00 1.57 H new ATOM 0 HD1 PHE A 109 -10.356 15.482 4.546 1.00 2.48 H new ATOM 0 HD2 PHE A 109 -12.032 18.059 7.563 1.00 2.70 H new ATOM 0 HE1 PHE A 109 -11.368 16.900 2.777 1.00 3.31 H new ATOM 0 HE2 PHE A 109 -13.019 19.492 5.790 1.00 3.26 H new ATOM 0 HZ PHE A 109 -12.704 18.903 3.395 1.00 3.35 H new ATOM 1639 N ALA A 110 -14.034 14.914 7.729 1.00 1.21 N ATOM 1640 CA ALA A 110 -15.345 15.277 8.275 1.00 1.29 C ATOM 1641 C ALA A 110 -16.213 14.030 8.497 1.00 1.17 C ATOM 1642 O ALA A 110 -16.832 13.891 9.547 1.00 1.31 O ATOM 1643 CB ALA A 110 -16.004 16.275 7.312 1.00 1.51 C ATOM 0 H ALA A 110 -14.098 14.376 6.865 1.00 1.21 H new ATOM 0 HA ALA A 110 -15.231 15.745 9.253 1.00 1.29 H new ATOM 0 HB1 ALA A 110 -16.983 16.561 7.698 1.00 1.51 H new ATOM 0 HB2 ALA A 110 -15.377 17.162 7.222 1.00 1.51 H new ATOM 0 HB3 ALA A 110 -16.121 15.812 6.332 1.00 1.51 H new ATOM 1649 N LEU A 111 -16.202 13.089 7.546 1.00 1.02 N ATOM 1650 CA LEU A 111 -16.983 11.851 7.583 1.00 0.95 C ATOM 1651 C LEU A 111 -16.378 10.787 8.518 1.00 0.82 C ATOM 1652 O LEU A 111 -17.071 9.835 8.863 1.00 0.91 O ATOM 1653 CB LEU A 111 -17.050 11.289 6.150 1.00 1.01 C ATOM 1654 CG LEU A 111 -17.852 12.056 5.068 1.00 1.26 C ATOM 1655 CD1 LEU A 111 -19.319 11.606 5.086 1.00 1.52 C ATOM 1656 CD2 LEU A 111 -17.828 13.593 5.098 1.00 1.48 C ATOM 0 H LEU A 111 -15.631 13.172 6.705 1.00 1.02 H new ATOM 0 HA LEU A 111 -17.973 12.087 7.974 1.00 0.95 H new ATOM 0 HB2 LEU A 111 -16.026 11.190 5.789 1.00 1.01 H new ATOM 0 HB3 LEU A 111 -17.465 10.283 6.212 1.00 1.01 H new ATOM 0 HG LEU A 111 -17.322 11.791 4.153 1.00 1.26 H new ATOM 0 HD11 LEU A 111 -19.876 12.150 4.323 1.00 1.52 H new ATOM 0 HD12 LEU A 111 -19.374 10.537 4.883 1.00 1.52 H new ATOM 0 HD13 LEU A 111 -19.751 11.812 6.066 1.00 1.52 H new ATOM 0 HD21 LEU A 111 -18.434 13.982 4.280 1.00 1.48 H new ATOM 0 HD22 LEU A 111 -18.231 13.945 6.048 1.00 1.48 H new ATOM 0 HD23 LEU A 111 -16.802 13.943 4.987 1.00 1.48 H new ATOM 1668 N GLU A 112 -15.093 10.918 8.885 1.00 0.76 N ATOM 1669 CA GLU A 112 -14.303 9.976 9.705 1.00 0.79 C ATOM 1670 C GLU A 112 -13.956 8.660 8.977 1.00 0.79 C ATOM 1671 O GLU A 112 -13.457 7.726 9.605 1.00 1.06 O ATOM 1672 CB GLU A 112 -14.980 9.666 11.053 1.00 1.12 C ATOM 1673 CG GLU A 112 -15.381 10.912 11.849 1.00 1.34 C ATOM 1674 CD GLU A 112 -16.205 10.464 13.056 1.00 1.88 C ATOM 1675 OE1 GLU A 112 -17.387 10.070 12.900 1.00 2.97 O ATOM 1676 OE2 GLU A 112 -15.663 10.314 14.169 1.00 2.23 O ATOM 0 H GLU A 112 -14.543 11.729 8.603 1.00 0.76 H new ATOM 0 HA GLU A 112 -13.365 10.497 9.894 1.00 0.79 H new ATOM 0 HB2 GLU A 112 -15.869 9.062 10.871 1.00 1.12 H new ATOM 0 HB3 GLU A 112 -14.303 9.063 11.658 1.00 1.12 H new ATOM 0 HG2 GLU A 112 -14.495 11.456 12.175 1.00 1.34 H new ATOM 0 HG3 GLU A 112 -15.961 11.592 11.224 1.00 1.34 H new ATOM 1683 N THR A 113 -14.225 8.554 7.670 1.00 0.83 N ATOM 1684 CA THR A 113 -14.034 7.337 6.874 1.00 0.96 C ATOM 1685 C THR A 113 -12.736 7.421 6.086 1.00 0.96 C ATOM 1686 O THR A 113 -12.560 8.376 5.338 1.00 1.56 O ATOM 1687 CB THR A 113 -15.207 7.155 5.899 1.00 1.09 C ATOM 1688 OG1 THR A 113 -15.345 8.341 5.147 1.00 1.07 O ATOM 1689 CG2 THR A 113 -16.524 6.867 6.618 1.00 1.22 C ATOM 0 H THR A 113 -14.591 9.333 7.123 1.00 0.83 H new ATOM 0 HA THR A 113 -13.989 6.485 7.552 1.00 0.96 H new ATOM 0 HB THR A 113 -14.989 6.298 5.262 1.00 1.09 H new ATOM 0 HG1 THR A 113 -14.460 8.725 4.977 1.00 1.07 H new ATOM 0 HG21 THR A 113 -17.321 6.747 5.884 1.00 1.22 H new ATOM 0 HG22 THR A 113 -16.427 5.952 7.202 1.00 1.22 H new ATOM 0 HG23 THR A 113 -16.765 7.697 7.282 1.00 1.22 H new ATOM 1697 N VAL A 114 -11.874 6.412 6.162 1.00 0.55 N ATOM 1698 CA VAL A 114 -10.818 6.204 5.146 1.00 0.56 C ATOM 1699 C VAL A 114 -11.230 5.047 4.236 1.00 0.62 C ATOM 1700 O VAL A 114 -11.597 3.977 4.728 1.00 0.55 O ATOM 1701 CB VAL A 114 -9.417 5.985 5.776 1.00 0.58 C ATOM 1702 CG1 VAL A 114 -9.379 4.824 6.777 1.00 0.61 C ATOM 1703 CG2 VAL A 114 -8.316 5.706 4.737 1.00 0.65 C ATOM 0 H VAL A 114 -11.876 5.720 6.911 1.00 0.55 H new ATOM 0 HA VAL A 114 -10.722 7.112 4.550 1.00 0.56 H new ATOM 0 HB VAL A 114 -9.224 6.930 6.284 1.00 0.58 H new ATOM 0 HG11 VAL A 114 -8.371 4.724 7.181 1.00 0.61 H new ATOM 0 HG12 VAL A 114 -10.078 5.021 7.590 1.00 0.61 H new ATOM 0 HG13 VAL A 114 -9.661 3.900 6.273 1.00 0.61 H new ATOM 0 HG21 VAL A 114 -7.363 5.563 5.246 1.00 0.65 H new ATOM 0 HG22 VAL A 114 -8.566 4.806 4.175 1.00 0.65 H new ATOM 0 HG23 VAL A 114 -8.238 6.551 4.053 1.00 0.65 H new ATOM 1713 N THR A 115 -11.163 5.254 2.915 1.00 0.80 N ATOM 1714 CA THR A 115 -11.418 4.207 1.915 1.00 0.95 C ATOM 1715 C THR A 115 -10.078 3.556 1.590 1.00 1.02 C ATOM 1716 O THR A 115 -9.243 4.178 0.947 1.00 1.29 O ATOM 1717 CB THR A 115 -12.068 4.800 0.653 1.00 1.06 C ATOM 1718 OG1 THR A 115 -13.213 5.571 0.959 1.00 1.12 O ATOM 1719 CG2 THR A 115 -12.483 3.719 -0.345 1.00 1.29 C ATOM 0 H THR A 115 -10.929 6.159 2.506 1.00 0.80 H new ATOM 0 HA THR A 115 -12.115 3.465 2.306 1.00 0.95 H new ATOM 0 HB THR A 115 -11.303 5.436 0.207 1.00 1.06 H new ATOM 0 HG1 THR A 115 -13.998 4.986 1.006 1.00 1.12 H new ATOM 0 HG21 THR A 115 -12.937 4.186 -1.219 1.00 1.29 H new ATOM 0 HG22 THR A 115 -11.605 3.151 -0.652 1.00 1.29 H new ATOM 0 HG23 THR A 115 -13.204 3.049 0.123 1.00 1.29 H new ATOM 1727 N VAL A 116 -9.857 2.326 2.051 1.00 0.94 N ATOM 1728 CA VAL A 116 -8.595 1.583 1.884 1.00 1.00 C ATOM 1729 C VAL A 116 -8.774 0.541 0.778 1.00 1.17 C ATOM 1730 O VAL A 116 -9.805 -0.127 0.733 1.00 1.34 O ATOM 1731 CB VAL A 116 -8.175 0.884 3.201 1.00 0.97 C ATOM 1732 CG1 VAL A 116 -6.859 0.099 3.067 1.00 1.10 C ATOM 1733 CG2 VAL A 116 -8.012 1.903 4.344 1.00 0.80 C ATOM 0 H VAL A 116 -10.564 1.800 2.565 1.00 0.94 H new ATOM 0 HA VAL A 116 -7.808 2.287 1.614 1.00 1.00 H new ATOM 0 HB VAL A 116 -8.978 0.183 3.428 1.00 0.97 H new ATOM 0 HG11 VAL A 116 -6.616 -0.369 4.021 1.00 1.10 H new ATOM 0 HG12 VAL A 116 -6.971 -0.671 2.303 1.00 1.10 H new ATOM 0 HG13 VAL A 116 -6.057 0.780 2.782 1.00 1.10 H new ATOM 0 HG21 VAL A 116 -7.717 1.383 5.256 1.00 0.80 H new ATOM 0 HG22 VAL A 116 -7.245 2.630 4.077 1.00 0.80 H new ATOM 0 HG23 VAL A 116 -8.958 2.418 4.510 1.00 0.80 H new ATOM 1743 N GLU A 117 -7.767 0.370 -0.079 1.00 1.19 N ATOM 1744 CA GLU A 117 -7.697 -0.699 -1.076 1.00 1.39 C ATOM 1745 C GLU A 117 -6.310 -1.349 -1.039 1.00 1.31 C ATOM 1746 O GLU A 117 -5.297 -0.665 -1.155 1.00 1.40 O ATOM 1747 CB GLU A 117 -8.046 -0.144 -2.467 1.00 1.87 C ATOM 1748 CG GLU A 117 -8.159 -1.265 -3.514 1.00 2.17 C ATOM 1749 CD GLU A 117 -8.999 -0.876 -4.733 1.00 3.25 C ATOM 1750 OE1 GLU A 117 -8.979 0.301 -5.145 1.00 3.57 O ATOM 1751 OE2 GLU A 117 -9.721 -1.747 -5.279 1.00 4.30 O ATOM 0 H GLU A 117 -6.956 0.988 -0.100 1.00 1.19 H new ATOM 0 HA GLU A 117 -8.429 -1.473 -0.845 1.00 1.39 H new ATOM 0 HB2 GLU A 117 -8.988 0.402 -2.415 1.00 1.87 H new ATOM 0 HB3 GLU A 117 -7.281 0.568 -2.777 1.00 1.87 H new ATOM 0 HG2 GLU A 117 -7.159 -1.545 -3.845 1.00 2.17 H new ATOM 0 HG3 GLU A 117 -8.598 -2.146 -3.046 1.00 2.17 H new ATOM 1758 N TYR A 118 -6.264 -2.670 -0.855 1.00 1.21 N ATOM 1759 CA TYR A 118 -5.055 -3.438 -0.517 1.00 1.14 C ATOM 1760 C TYR A 118 -5.178 -4.921 -0.913 1.00 1.18 C ATOM 1761 O TYR A 118 -6.212 -5.339 -1.434 1.00 1.23 O ATOM 1762 CB TYR A 118 -4.752 -3.282 0.990 1.00 1.00 C ATOM 1763 CG TYR A 118 -5.436 -4.212 1.981 1.00 0.98 C ATOM 1764 CD1 TYR A 118 -6.829 -4.432 1.968 1.00 2.25 C ATOM 1765 CD2 TYR A 118 -4.644 -4.848 2.958 1.00 2.21 C ATOM 1766 CE1 TYR A 118 -7.420 -5.295 2.915 1.00 2.24 C ATOM 1767 CE2 TYR A 118 -5.227 -5.708 3.901 1.00 2.65 C ATOM 1768 CZ TYR A 118 -6.617 -5.940 3.883 1.00 1.74 C ATOM 1769 OH TYR A 118 -7.157 -6.813 4.777 1.00 2.27 O ATOM 0 H TYR A 118 -7.093 -3.258 -0.939 1.00 1.21 H new ATOM 0 HA TYR A 118 -4.222 -3.036 -1.094 1.00 1.14 H new ATOM 0 HB2 TYR A 118 -3.676 -3.394 1.122 1.00 1.00 H new ATOM 0 HB3 TYR A 118 -5.003 -2.259 1.272 1.00 1.00 H new ATOM 0 HD1 TYR A 118 -7.445 -3.938 1.231 1.00 2.25 H new ATOM 0 HD2 TYR A 118 -3.579 -4.672 2.981 1.00 2.21 H new ATOM 0 HE1 TYR A 118 -8.487 -5.463 2.900 1.00 2.24 H new ATOM 0 HE2 TYR A 118 -4.609 -6.193 4.642 1.00 2.65 H new ATOM 0 HH TYR A 118 -6.447 -7.367 5.163 1.00 2.27 H new ATOM 1779 N ASN A 119 -4.150 -5.736 -0.640 1.00 1.22 N ATOM 1780 CA ASN A 119 -4.293 -7.196 -0.694 1.00 1.34 C ATOM 1781 C ASN A 119 -4.642 -7.762 0.710 1.00 1.40 C ATOM 1782 O ASN A 119 -3.795 -7.717 1.607 1.00 1.42 O ATOM 1783 CB ASN A 119 -3.068 -7.860 -1.359 1.00 1.54 C ATOM 1784 CG ASN A 119 -1.824 -7.971 -0.486 1.00 1.65 C ATOM 1785 OD1 ASN A 119 -1.560 -9.004 0.115 1.00 2.64 O ATOM 1786 ND2 ASN A 119 -1.032 -6.918 -0.383 1.00 2.53 N ATOM 0 H ASN A 119 -3.218 -5.412 -0.382 1.00 1.22 H new ATOM 0 HA ASN A 119 -5.135 -7.449 -1.338 1.00 1.34 H new ATOM 0 HB2 ASN A 119 -3.352 -8.861 -1.685 1.00 1.54 H new ATOM 0 HB3 ASN A 119 -2.812 -7.294 -2.255 1.00 1.54 H new ATOM 0 HD21 ASN A 119 -0.196 -6.964 0.200 1.00 2.53 H new ATOM 0 HD22 ASN A 119 -1.257 -6.060 -0.886 1.00 2.53 H new ATOM 1793 N PRO A 120 -5.853 -8.320 0.926 1.00 1.53 N ATOM 1794 CA PRO A 120 -6.213 -8.981 2.186 1.00 1.61 C ATOM 1795 C PRO A 120 -5.502 -10.329 2.371 1.00 1.79 C ATOM 1796 O PRO A 120 -5.532 -10.910 3.454 1.00 1.93 O ATOM 1797 CB PRO A 120 -7.736 -9.146 2.131 1.00 1.74 C ATOM 1798 CG PRO A 120 -8.016 -9.291 0.637 1.00 1.85 C ATOM 1799 CD PRO A 120 -6.981 -8.364 0.001 1.00 1.67 C ATOM 0 HA PRO A 120 -5.897 -8.388 3.044 1.00 1.61 H new ATOM 0 HB2 PRO A 120 -8.067 -10.021 2.690 1.00 1.74 H new ATOM 0 HB3 PRO A 120 -8.250 -8.284 2.556 1.00 1.74 H new ATOM 0 HG2 PRO A 120 -7.895 -10.321 0.302 1.00 1.85 H new ATOM 0 HG3 PRO A 120 -9.034 -8.992 0.386 1.00 1.85 H new ATOM 0 HD2 PRO A 120 -6.670 -8.738 -0.975 1.00 1.67 H new ATOM 0 HD3 PRO A 120 -7.395 -7.368 -0.156 1.00 1.67 H new ATOM 1807 N LYS A 121 -4.840 -10.827 1.321 1.00 2.09 N ATOM 1808 CA LYS A 121 -4.148 -12.105 1.292 1.00 2.40 C ATOM 1809 C LYS A 121 -3.008 -12.211 2.326 1.00 2.46 C ATOM 1810 O LYS A 121 -2.786 -13.309 2.834 1.00 2.81 O ATOM 1811 CB LYS A 121 -3.692 -12.281 -0.169 1.00 2.54 C ATOM 1812 CG LYS A 121 -3.362 -13.724 -0.561 1.00 1.93 C ATOM 1813 CD LYS A 121 -2.016 -14.211 -0.006 1.00 1.96 C ATOM 1814 CE LYS A 121 -1.242 -14.977 -1.073 1.00 3.04 C ATOM 1815 NZ LYS A 121 0.154 -15.212 -0.653 1.00 4.13 N ATOM 0 H LYS A 121 -4.773 -10.325 0.436 1.00 2.09 H new ATOM 0 HA LYS A 121 -4.803 -12.922 1.595 1.00 2.40 H new ATOM 0 HB2 LYS A 121 -4.476 -11.909 -0.829 1.00 2.54 H new ATOM 0 HB3 LYS A 121 -2.812 -11.661 -0.339 1.00 2.54 H new ATOM 0 HG2 LYS A 121 -4.154 -14.381 -0.202 1.00 1.93 H new ATOM 0 HG3 LYS A 121 -3.349 -13.804 -1.648 1.00 1.93 H new ATOM 0 HD2 LYS A 121 -1.428 -13.359 0.337 1.00 1.96 H new ATOM 0 HD3 LYS A 121 -2.184 -14.852 0.860 1.00 1.96 H new ATOM 0 HE2 LYS A 121 -1.732 -15.931 -1.267 1.00 3.04 H new ATOM 0 HE3 LYS A 121 -1.254 -14.417 -2.008 1.00 3.04 H new ATOM 0 HZ1 LYS A 121 0.772 -15.215 -1.489 1.00 4.13 H new ATOM 0 HZ2 LYS A 121 0.453 -14.457 -0.004 1.00 4.13 H new ATOM 0 HZ3 LYS A 121 0.221 -16.130 -0.170 1.00 4.13 H new ATOM 1829 N GLU A 122 -2.317 -11.112 2.657 1.00 2.24 N ATOM 1830 CA GLU A 122 -1.203 -11.113 3.622 1.00 2.40 C ATOM 1831 C GLU A 122 -1.483 -10.367 4.943 1.00 2.43 C ATOM 1832 O GLU A 122 -0.935 -10.772 5.974 1.00 3.06 O ATOM 1833 CB GLU A 122 0.054 -10.510 2.968 1.00 2.33 C ATOM 1834 CG GLU A 122 0.646 -11.374 1.842 1.00 2.85 C ATOM 1835 CD GLU A 122 1.078 -12.768 2.306 1.00 3.68 C ATOM 1836 OE1 GLU A 122 1.591 -12.902 3.441 1.00 3.60 O ATOM 1837 OE2 GLU A 122 0.895 -13.732 1.530 1.00 4.81 O ATOM 0 H GLU A 122 -2.514 -10.192 2.263 1.00 2.24 H new ATOM 0 HA GLU A 122 -1.058 -12.160 3.889 1.00 2.40 H new ATOM 0 HB2 GLU A 122 -0.193 -9.527 2.567 1.00 2.33 H new ATOM 0 HB3 GLU A 122 0.814 -10.359 3.735 1.00 2.33 H new ATOM 0 HG2 GLU A 122 -0.093 -11.477 1.047 1.00 2.85 H new ATOM 0 HG3 GLU A 122 1.506 -10.859 1.414 1.00 2.85 H new ATOM 1844 N ALA A 123 -2.301 -9.306 4.954 1.00 2.03 N ATOM 1845 CA ALA A 123 -2.445 -8.395 6.103 1.00 1.91 C ATOM 1846 C ALA A 123 -3.888 -8.291 6.634 1.00 1.75 C ATOM 1847 O ALA A 123 -4.861 -8.422 5.890 1.00 1.88 O ATOM 1848 CB ALA A 123 -1.878 -7.026 5.701 1.00 1.84 C ATOM 0 H ALA A 123 -2.888 -9.052 4.159 1.00 2.03 H new ATOM 0 HA ALA A 123 -1.881 -8.805 6.941 1.00 1.91 H new ATOM 0 HB1 ALA A 123 -1.974 -6.333 6.537 1.00 1.84 H new ATOM 0 HB2 ALA A 123 -0.826 -7.132 5.436 1.00 1.84 H new ATOM 0 HB3 ALA A 123 -2.431 -6.640 4.845 1.00 1.84 H new ATOM 1854 N SER A 124 -4.033 -8.039 7.935 1.00 1.67 N ATOM 1855 CA SER A 124 -5.312 -8.091 8.659 1.00 1.60 C ATOM 1856 C SER A 124 -5.560 -6.861 9.557 1.00 1.36 C ATOM 1857 O SER A 124 -4.709 -5.977 9.662 1.00 1.34 O ATOM 1858 CB SER A 124 -5.342 -9.387 9.483 1.00 1.88 C ATOM 1859 OG SER A 124 -4.551 -9.273 10.654 1.00 2.24 O ATOM 0 H SER A 124 -3.247 -7.786 8.534 1.00 1.67 H new ATOM 0 HA SER A 124 -6.119 -8.078 7.926 1.00 1.60 H new ATOM 0 HB2 SER A 124 -6.370 -9.622 9.758 1.00 1.88 H new ATOM 0 HB3 SER A 124 -4.978 -10.215 8.875 1.00 1.88 H new ATOM 0 HG SER A 124 -4.591 -10.112 11.159 1.00 2.24 H new ATOM 1865 N VAL A 125 -6.710 -6.794 10.243 1.00 1.25 N ATOM 1866 CA VAL A 125 -7.088 -5.622 11.062 1.00 1.08 C ATOM 1867 C VAL A 125 -6.172 -5.477 12.290 1.00 1.05 C ATOM 1868 O VAL A 125 -6.045 -4.381 12.826 1.00 0.94 O ATOM 1869 CB VAL A 125 -8.584 -5.655 11.471 1.00 1.12 C ATOM 1870 CG1 VAL A 125 -9.043 -4.387 12.216 1.00 0.96 C ATOM 1871 CG2 VAL A 125 -9.497 -5.817 10.239 1.00 1.50 C ATOM 0 H VAL A 125 -7.403 -7.542 10.249 1.00 1.25 H new ATOM 0 HA VAL A 125 -6.949 -4.739 10.439 1.00 1.08 H new ATOM 0 HB VAL A 125 -8.670 -6.510 12.141 1.00 1.12 H new ATOM 0 HG11 VAL A 125 -10.099 -4.477 12.472 1.00 0.96 H new ATOM 0 HG12 VAL A 125 -8.457 -4.269 13.128 1.00 0.96 H new ATOM 0 HG13 VAL A 125 -8.898 -3.517 11.576 1.00 0.96 H new ATOM 0 HG21 VAL A 125 -10.539 -5.837 10.558 1.00 1.50 H new ATOM 0 HG22 VAL A 125 -9.342 -4.980 9.559 1.00 1.50 H new ATOM 0 HG23 VAL A 125 -9.256 -6.749 9.728 1.00 1.50 H new ATOM 1881 N SER A 126 -5.480 -6.543 12.710 1.00 1.22 N ATOM 1882 CA SER A 126 -4.443 -6.478 13.749 1.00 1.32 C ATOM 1883 C SER A 126 -3.238 -5.630 13.317 1.00 1.35 C ATOM 1884 O SER A 126 -2.750 -4.814 14.099 1.00 1.35 O ATOM 1885 CB SER A 126 -3.944 -7.892 14.083 1.00 1.62 C ATOM 1886 OG SER A 126 -5.008 -8.802 14.302 1.00 2.19 O ATOM 0 H SER A 126 -5.624 -7.481 12.337 1.00 1.22 H new ATOM 0 HA SER A 126 -4.900 -6.011 14.622 1.00 1.32 H new ATOM 0 HB2 SER A 126 -3.320 -8.256 13.267 1.00 1.62 H new ATOM 0 HB3 SER A 126 -3.315 -7.852 14.972 1.00 1.62 H new ATOM 0 HG SER A 126 -4.643 -9.688 14.509 1.00 2.19 H new ATOM 1892 N ASP A 127 -2.786 -5.785 12.067 1.00 1.46 N ATOM 1893 CA ASP A 127 -1.631 -5.059 11.527 1.00 1.58 C ATOM 1894 C ASP A 127 -1.957 -3.569 11.396 1.00 1.39 C ATOM 1895 O ASP A 127 -1.184 -2.706 11.813 1.00 1.45 O ATOM 1896 CB ASP A 127 -1.259 -5.622 10.145 1.00 1.78 C ATOM 1897 CG ASP A 127 -0.947 -7.117 10.155 1.00 2.09 C ATOM 1898 OD1 ASP A 127 -0.049 -7.565 10.902 1.00 2.15 O ATOM 1899 OD2 ASP A 127 -1.540 -7.882 9.358 1.00 3.33 O ATOM 0 H ASP A 127 -3.215 -6.423 11.397 1.00 1.46 H new ATOM 0 HA ASP A 127 -0.791 -5.184 12.210 1.00 1.58 H new ATOM 0 HB2 ASP A 127 -2.081 -5.436 9.453 1.00 1.78 H new ATOM 0 HB3 ASP A 127 -0.393 -5.082 9.763 1.00 1.78 H new ATOM 1904 N LEU A 128 -3.148 -3.276 10.863 1.00 1.20 N ATOM 1905 CA LEU A 128 -3.673 -1.922 10.708 1.00 1.06 C ATOM 1906 C LEU A 128 -3.871 -1.252 12.077 1.00 0.99 C ATOM 1907 O LEU A 128 -3.499 -0.093 12.260 1.00 1.04 O ATOM 1908 CB LEU A 128 -4.973 -1.994 9.882 1.00 0.92 C ATOM 1909 CG LEU A 128 -4.845 -2.686 8.505 1.00 1.18 C ATOM 1910 CD1 LEU A 128 -6.221 -2.757 7.835 1.00 1.32 C ATOM 1911 CD2 LEU A 128 -3.868 -1.958 7.578 1.00 1.46 C ATOM 0 H LEU A 128 -3.786 -3.994 10.520 1.00 1.20 H new ATOM 0 HA LEU A 128 -2.960 -1.296 10.171 1.00 1.06 H new ATOM 0 HB2 LEU A 128 -5.726 -2.522 10.467 1.00 0.92 H new ATOM 0 HB3 LEU A 128 -5.342 -0.980 9.728 1.00 0.92 H new ATOM 0 HG LEU A 128 -4.453 -3.688 8.679 1.00 1.18 H new ATOM 0 HD11 LEU A 128 -6.129 -3.245 6.865 1.00 1.32 H new ATOM 0 HD12 LEU A 128 -6.903 -3.328 8.465 1.00 1.32 H new ATOM 0 HD13 LEU A 128 -6.612 -1.749 7.698 1.00 1.32 H new ATOM 0 HD21 LEU A 128 -3.813 -2.482 6.624 1.00 1.46 H new ATOM 0 HD22 LEU A 128 -4.215 -0.938 7.412 1.00 1.46 H new ATOM 0 HD23 LEU A 128 -2.880 -1.935 8.037 1.00 1.46 H new ATOM 1923 N LYS A 129 -4.363 -1.993 13.077 1.00 0.95 N ATOM 1924 CA LYS A 129 -4.385 -1.545 14.472 1.00 1.01 C ATOM 1925 C LYS A 129 -2.978 -1.199 14.971 1.00 1.20 C ATOM 1926 O LYS A 129 -2.759 -0.036 15.300 1.00 1.31 O ATOM 1927 CB LYS A 129 -5.070 -2.588 15.373 1.00 1.06 C ATOM 1928 CG LYS A 129 -6.594 -2.391 15.480 1.00 0.93 C ATOM 1929 CD LYS A 129 -6.964 -1.774 16.837 1.00 1.52 C ATOM 1930 CE LYS A 129 -8.475 -1.549 16.970 1.00 2.42 C ATOM 1931 NZ LYS A 129 -8.842 -1.265 18.377 1.00 3.33 N ATOM 0 H LYS A 129 -4.758 -2.923 12.940 1.00 0.95 H new ATOM 0 HA LYS A 129 -4.975 -0.630 14.522 1.00 1.01 H new ATOM 0 HB2 LYS A 129 -4.866 -3.585 14.983 1.00 1.06 H new ATOM 0 HB3 LYS A 129 -4.633 -2.540 16.370 1.00 1.06 H new ATOM 0 HG2 LYS A 129 -6.940 -1.744 14.674 1.00 0.93 H new ATOM 0 HG3 LYS A 129 -7.100 -3.349 15.360 1.00 0.93 H new ATOM 0 HD2 LYS A 129 -6.623 -2.429 17.639 1.00 1.52 H new ATOM 0 HD3 LYS A 129 -6.443 -0.824 16.958 1.00 1.52 H new ATOM 0 HE2 LYS A 129 -8.781 -0.718 16.335 1.00 2.42 H new ATOM 0 HE3 LYS A 129 -9.011 -2.431 16.621 1.00 2.42 H new ATOM 0 HZ1 LYS A 129 -9.869 -1.116 18.445 1.00 3.33 H new ATOM 0 HZ2 LYS A 129 -8.569 -2.070 18.976 1.00 3.33 H new ATOM 0 HZ3 LYS A 129 -8.346 -0.410 18.699 1.00 3.33 H new ATOM 1945 N GLU A 130 -2.016 -2.128 14.989 1.00 1.28 N ATOM 1946 CA GLU A 130 -0.674 -1.846 15.533 1.00 1.43 C ATOM 1947 C GLU A 130 0.083 -0.751 14.747 1.00 1.57 C ATOM 1948 O GLU A 130 0.915 -0.043 15.320 1.00 1.75 O ATOM 1949 CB GLU A 130 0.157 -3.138 15.662 1.00 1.50 C ATOM 1950 CG GLU A 130 -0.456 -4.122 16.676 1.00 1.50 C ATOM 1951 CD GLU A 130 0.580 -5.028 17.346 1.00 1.64 C ATOM 1952 OE1 GLU A 130 1.389 -4.502 18.143 1.00 2.53 O ATOM 1953 OE2 GLU A 130 0.505 -6.271 17.217 1.00 2.31 O ATOM 0 H GLU A 130 -2.136 -3.078 14.636 1.00 1.28 H new ATOM 0 HA GLU A 130 -0.824 -1.441 16.534 1.00 1.43 H new ATOM 0 HB2 GLU A 130 0.230 -3.621 14.687 1.00 1.50 H new ATOM 0 HB3 GLU A 130 1.172 -2.887 15.970 1.00 1.50 H new ATOM 0 HG2 GLU A 130 -0.985 -3.558 17.444 1.00 1.50 H new ATOM 0 HG3 GLU A 130 -1.196 -4.741 16.169 1.00 1.50 H new ATOM 1960 N ALA A 131 -0.247 -0.535 13.467 1.00 1.55 N ATOM 1961 CA ALA A 131 0.237 0.600 12.677 1.00 1.71 C ATOM 1962 C ALA A 131 -0.359 1.962 13.068 1.00 1.66 C ATOM 1963 O ALA A 131 0.302 2.972 12.831 1.00 2.01 O ATOM 1964 CB ALA A 131 0.001 0.287 11.192 1.00 1.77 C ATOM 0 H ALA A 131 -0.867 -1.154 12.945 1.00 1.55 H new ATOM 0 HA ALA A 131 1.300 0.713 12.888 1.00 1.71 H new ATOM 0 HB1 ALA A 131 0.354 1.120 10.584 1.00 1.77 H new ATOM 0 HB2 ALA A 131 0.545 -0.617 10.920 1.00 1.77 H new ATOM 0 HB3 ALA A 131 -1.064 0.136 11.017 1.00 1.77 H new ATOM 1970 N VAL A 132 -1.568 2.006 13.634 1.00 1.36 N ATOM 1971 CA VAL A 132 -2.273 3.239 14.049 1.00 1.35 C ATOM 1972 C VAL A 132 -2.171 3.514 15.560 1.00 1.41 C ATOM 1973 O VAL A 132 -2.126 4.676 15.960 1.00 1.54 O ATOM 1974 CB VAL A 132 -3.753 3.174 13.595 1.00 1.19 C ATOM 1975 CG1 VAL A 132 -4.647 4.292 14.167 1.00 1.26 C ATOM 1976 CG2 VAL A 132 -3.809 3.287 12.060 1.00 1.17 C ATOM 0 H VAL A 132 -2.107 1.162 13.826 1.00 1.36 H new ATOM 0 HA VAL A 132 -1.777 4.076 13.558 1.00 1.35 H new ATOM 0 HB VAL A 132 -4.136 2.225 13.970 1.00 1.19 H new ATOM 0 HG11 VAL A 132 -5.665 4.169 13.797 1.00 1.26 H new ATOM 0 HG12 VAL A 132 -4.647 4.237 15.256 1.00 1.26 H new ATOM 0 HG13 VAL A 132 -4.262 5.262 13.853 1.00 1.26 H new ATOM 0 HG21 VAL A 132 -4.847 3.242 11.729 1.00 1.17 H new ATOM 0 HG22 VAL A 132 -3.369 4.235 11.749 1.00 1.17 H new ATOM 0 HG23 VAL A 132 -3.250 2.464 11.614 1.00 1.17 H new ATOM 1986 N ASP A 133 -2.110 2.477 16.403 1.00 1.33 N ATOM 1987 CA ASP A 133 -2.221 2.590 17.866 1.00 1.23 C ATOM 1988 C ASP A 133 -1.094 3.425 18.490 1.00 1.32 C ATOM 1989 O ASP A 133 -1.314 4.213 19.407 1.00 1.33 O ATOM 1990 CB ASP A 133 -2.236 1.177 18.471 1.00 1.24 C ATOM 1991 CG ASP A 133 -2.865 1.166 19.868 1.00 1.42 C ATOM 1992 OD1 ASP A 133 -4.118 1.210 19.965 1.00 2.38 O ATOM 1993 OD2 ASP A 133 -2.097 1.131 20.859 1.00 1.68 O ATOM 0 H ASP A 133 -1.980 1.517 16.084 1.00 1.33 H new ATOM 0 HA ASP A 133 -3.149 3.115 18.091 1.00 1.23 H new ATOM 0 HB2 ASP A 133 -2.792 0.506 17.816 1.00 1.24 H new ATOM 0 HB3 ASP A 133 -1.217 0.794 18.528 1.00 1.24 H new ATOM 1998 N LYS A 134 0.119 3.306 17.944 1.00 1.46 N ATOM 1999 CA LYS A 134 1.286 4.083 18.367 1.00 1.63 C ATOM 2000 C LYS A 134 1.205 5.582 17.984 1.00 1.68 C ATOM 2001 O LYS A 134 1.924 6.393 18.579 1.00 1.83 O ATOM 2002 CB LYS A 134 2.531 3.355 17.822 1.00 1.99 C ATOM 2003 CG LYS A 134 3.884 3.979 18.223 1.00 2.31 C ATOM 2004 CD LYS A 134 4.192 3.854 19.730 1.00 2.85 C ATOM 2005 CE LYS A 134 4.948 5.065 20.300 1.00 3.19 C ATOM 2006 NZ LYS A 134 4.059 6.229 20.539 1.00 3.92 N ATOM 0 H LYS A 134 0.321 2.657 17.184 1.00 1.46 H new ATOM 0 HA LYS A 134 1.337 4.126 19.455 1.00 1.63 H new ATOM 0 HB2 LYS A 134 2.509 2.322 18.168 1.00 1.99 H new ATOM 0 HB3 LYS A 134 2.469 3.328 16.734 1.00 1.99 H new ATOM 0 HG2 LYS A 134 4.680 3.498 17.655 1.00 2.31 H new ATOM 0 HG3 LYS A 134 3.887 5.033 17.945 1.00 2.31 H new ATOM 0 HD2 LYS A 134 3.257 3.729 20.276 1.00 2.85 H new ATOM 0 HD3 LYS A 134 4.782 2.954 19.899 1.00 2.85 H new ATOM 0 HE2 LYS A 134 5.429 4.781 21.236 1.00 3.19 H new ATOM 0 HE3 LYS A 134 5.740 5.353 19.609 1.00 3.19 H new ATOM 0 HZ1 LYS A 134 4.615 7.106 20.491 1.00 3.92 H new ATOM 0 HZ2 LYS A 134 3.314 6.251 19.814 1.00 3.92 H new ATOM 0 HZ3 LYS A 134 3.624 6.146 21.480 1.00 3.92 H new ATOM 2020 N LEU A 135 0.336 5.967 17.036 1.00 1.65 N ATOM 2021 CA LEU A 135 -0.021 7.375 16.771 1.00 1.78 C ATOM 2022 C LEU A 135 -1.104 7.909 17.737 1.00 1.73 C ATOM 2023 O LEU A 135 -1.390 9.104 17.708 1.00 1.86 O ATOM 2024 CB LEU A 135 -0.450 7.578 15.294 1.00 1.79 C ATOM 2025 CG LEU A 135 0.623 7.411 14.195 1.00 2.01 C ATOM 2026 CD1 LEU A 135 1.813 8.360 14.395 1.00 2.47 C ATOM 2027 CD2 LEU A 135 1.124 5.970 14.030 1.00 2.00 C ATOM 0 H LEU A 135 -0.144 5.306 16.425 1.00 1.65 H new ATOM 0 HA LEU A 135 0.880 7.960 16.952 1.00 1.78 H new ATOM 0 HB2 LEU A 135 -1.257 6.876 15.082 1.00 1.79 H new ATOM 0 HB3 LEU A 135 -0.867 8.581 15.203 1.00 1.79 H new ATOM 0 HG LEU A 135 0.111 7.679 13.271 1.00 2.01 H new ATOM 0 HD11 LEU A 135 2.540 8.205 13.598 1.00 2.47 H new ATOM 0 HD12 LEU A 135 1.463 9.392 14.371 1.00 2.47 H new ATOM 0 HD13 LEU A 135 2.282 8.158 15.358 1.00 2.47 H new ATOM 0 HD21 LEU A 135 1.875 5.934 13.240 1.00 2.00 H new ATOM 0 HD22 LEU A 135 1.566 5.629 14.966 1.00 2.00 H new ATOM 0 HD23 LEU A 135 0.288 5.322 13.766 1.00 2.00 H new ATOM 2039 N GLY A 136 -1.687 7.062 18.598 1.00 1.63 N ATOM 2040 CA GLY A 136 -2.576 7.458 19.701 1.00 1.65 C ATOM 2041 C GLY A 136 -4.074 7.351 19.407 1.00 1.55 C ATOM 2042 O GLY A 136 -4.880 7.535 20.318 1.00 1.70 O ATOM 0 H GLY A 136 -1.549 6.053 18.545 1.00 1.63 H new ATOM 0 HA2 GLY A 136 -2.348 6.839 20.569 1.00 1.65 H new ATOM 0 HA3 GLY A 136 -2.350 8.488 19.976 1.00 1.65 H new ATOM 2046 N TYR A 137 -4.474 7.039 18.174 1.00 1.43 N ATOM 2047 CA TYR A 137 -5.868 6.748 17.790 1.00 1.41 C ATOM 2048 C TYR A 137 -6.100 5.228 17.635 1.00 1.46 C ATOM 2049 O TYR A 137 -5.209 4.432 17.920 1.00 1.66 O ATOM 2050 CB TYR A 137 -6.214 7.540 16.514 1.00 1.37 C ATOM 2051 CG TYR A 137 -5.980 9.044 16.613 1.00 1.47 C ATOM 2052 CD1 TYR A 137 -6.473 9.771 17.715 1.00 2.35 C ATOM 2053 CD2 TYR A 137 -5.262 9.718 15.603 1.00 2.57 C ATOM 2054 CE1 TYR A 137 -6.227 11.153 17.825 1.00 2.95 C ATOM 2055 CE2 TYR A 137 -5.022 11.104 15.701 1.00 2.87 C ATOM 2056 CZ TYR A 137 -5.499 11.824 16.821 1.00 2.63 C ATOM 2057 OH TYR A 137 -5.260 13.161 16.937 1.00 3.36 O ATOM 0 H TYR A 137 -3.825 6.978 17.389 1.00 1.43 H new ATOM 0 HA TYR A 137 -6.544 7.071 18.582 1.00 1.41 H new ATOM 0 HB2 TYR A 137 -5.621 7.148 15.688 1.00 1.37 H new ATOM 0 HB3 TYR A 137 -7.261 7.365 16.267 1.00 1.37 H new ATOM 0 HD1 TYR A 137 -7.043 9.265 18.480 1.00 2.35 H new ATOM 0 HD2 TYR A 137 -4.894 9.169 14.749 1.00 2.57 H new ATOM 0 HE1 TYR A 137 -6.597 11.700 18.680 1.00 2.95 H new ATOM 0 HE2 TYR A 137 -4.475 11.615 14.922 1.00 2.87 H new ATOM 0 HH TYR A 137 -5.487 13.608 16.095 1.00 3.36 H new ATOM 2067 N LYS A 138 -7.276 4.788 17.164 1.00 1.36 N ATOM 2068 CA LYS A 138 -7.503 3.420 16.740 1.00 1.38 C ATOM 2069 C LYS A 138 -8.374 3.423 15.482 1.00 1.17 C ATOM 2070 O LYS A 138 -8.924 4.447 15.072 1.00 1.20 O ATOM 2071 CB LYS A 138 -8.113 2.598 17.894 1.00 1.57 C ATOM 2072 CG LYS A 138 -9.640 2.705 18.062 1.00 1.52 C ATOM 2073 CD LYS A 138 -10.208 4.084 18.395 1.00 1.85 C ATOM 2074 CE LYS A 138 -9.707 4.602 19.750 1.00 3.06 C ATOM 2075 NZ LYS A 138 -10.515 5.752 20.215 1.00 2.85 N ATOM 0 H LYS A 138 -8.097 5.386 17.070 1.00 1.36 H new ATOM 0 HA LYS A 138 -6.559 2.938 16.485 1.00 1.38 H new ATOM 0 HB2 LYS A 138 -7.856 1.550 17.743 1.00 1.57 H new ATOM 0 HB3 LYS A 138 -7.642 2.911 18.826 1.00 1.57 H new ATOM 0 HG2 LYS A 138 -10.107 2.360 17.139 1.00 1.52 H new ATOM 0 HG3 LYS A 138 -9.943 2.015 18.850 1.00 1.52 H new ATOM 0 HD2 LYS A 138 -9.929 4.789 17.612 1.00 1.85 H new ATOM 0 HD3 LYS A 138 -11.297 4.034 18.406 1.00 1.85 H new ATOM 0 HE2 LYS A 138 -9.752 3.801 20.488 1.00 3.06 H new ATOM 0 HE3 LYS A 138 -8.662 4.899 19.665 1.00 3.06 H new ATOM 0 HZ1 LYS A 138 -9.898 6.439 20.693 1.00 2.85 H new ATOM 0 HZ2 LYS A 138 -10.973 6.207 19.400 1.00 2.85 H new ATOM 0 HZ3 LYS A 138 -11.242 5.419 20.880 1.00 2.85 H new ATOM 2089 N LEU A 139 -8.533 2.237 14.921 1.00 1.04 N ATOM 2090 CA LEU A 139 -9.422 1.937 13.815 1.00 0.84 C ATOM 2091 C LEU A 139 -10.605 1.108 14.319 1.00 0.95 C ATOM 2092 O LEU A 139 -10.425 0.245 15.177 1.00 1.39 O ATOM 2093 CB LEU A 139 -8.599 1.091 12.843 1.00 0.76 C ATOM 2094 CG LEU A 139 -7.430 1.787 12.126 1.00 0.93 C ATOM 2095 CD1 LEU A 139 -6.779 0.789 11.166 1.00 1.13 C ATOM 2096 CD2 LEU A 139 -7.867 3.036 11.361 1.00 1.05 C ATOM 0 H LEU A 139 -8.019 1.416 15.242 1.00 1.04 H new ATOM 0 HA LEU A 139 -9.808 2.844 13.349 1.00 0.84 H new ATOM 0 HB2 LEU A 139 -8.200 0.238 13.391 1.00 0.76 H new ATOM 0 HB3 LEU A 139 -9.274 0.695 12.084 1.00 0.76 H new ATOM 0 HG LEU A 139 -6.719 2.116 12.884 1.00 0.93 H new ATOM 0 HD11 LEU A 139 -5.948 1.270 10.650 1.00 1.13 H new ATOM 0 HD12 LEU A 139 -6.410 -0.069 11.728 1.00 1.13 H new ATOM 0 HD13 LEU A 139 -7.515 0.454 10.435 1.00 1.13 H new ATOM 0 HD21 LEU A 139 -7.002 3.486 10.875 1.00 1.05 H new ATOM 0 HD22 LEU A 139 -8.605 2.761 10.607 1.00 1.05 H new ATOM 0 HD23 LEU A 139 -8.307 3.752 12.055 1.00 1.05 H new ATOM 2108 N LYS A 140 -11.776 1.315 13.724 1.00 0.77 N ATOM 2109 CA LYS A 140 -12.808 0.278 13.582 1.00 0.92 C ATOM 2110 C LYS A 140 -13.131 0.037 12.085 1.00 0.78 C ATOM 2111 O LYS A 140 -12.579 0.707 11.212 1.00 1.01 O ATOM 2112 CB LYS A 140 -14.057 0.685 14.386 1.00 1.09 C ATOM 2113 CG LYS A 140 -13.820 0.859 15.896 1.00 1.34 C ATOM 2114 CD LYS A 140 -15.171 1.088 16.584 1.00 1.57 C ATOM 2115 CE LYS A 140 -15.058 1.155 18.108 1.00 2.60 C ATOM 2116 NZ LYS A 140 -16.306 1.699 18.695 1.00 2.89 N ATOM 0 H LYS A 140 -12.043 2.213 13.321 1.00 0.77 H new ATOM 0 HA LYS A 140 -12.440 -0.666 13.984 1.00 0.92 H new ATOM 0 HB2 LYS A 140 -14.443 1.621 13.982 1.00 1.09 H new ATOM 0 HB3 LYS A 140 -14.830 -0.069 14.238 1.00 1.09 H new ATOM 0 HG2 LYS A 140 -13.333 -0.025 16.306 1.00 1.34 H new ATOM 0 HG3 LYS A 140 -13.155 1.703 16.079 1.00 1.34 H new ATOM 0 HD2 LYS A 140 -15.608 2.016 16.216 1.00 1.57 H new ATOM 0 HD3 LYS A 140 -15.854 0.284 16.310 1.00 1.57 H new ATOM 0 HE2 LYS A 140 -14.864 0.160 18.509 1.00 2.60 H new ATOM 0 HE3 LYS A 140 -14.212 1.783 18.389 1.00 2.60 H new ATOM 0 HZ1 LYS A 140 -16.117 2.635 19.107 1.00 2.89 H new ATOM 0 HZ2 LYS A 140 -17.029 1.787 17.953 1.00 2.89 H new ATOM 0 HZ3 LYS A 140 -16.649 1.057 19.438 1.00 2.89 H new ATOM 2130 N LEU A 141 -14.037 -0.897 11.767 1.00 0.74 N ATOM 2131 CA LEU A 141 -14.631 -1.080 10.428 1.00 0.86 C ATOM 2132 C LEU A 141 -16.111 -0.687 10.397 1.00 1.11 C ATOM 2133 O LEU A 141 -16.793 -0.635 11.422 1.00 1.37 O ATOM 2134 CB LEU A 141 -14.457 -2.536 9.935 1.00 1.04 C ATOM 2135 CG LEU A 141 -13.107 -2.839 9.259 1.00 1.17 C ATOM 2136 CD1 LEU A 141 -12.945 -4.345 9.008 1.00 1.93 C ATOM 2137 CD2 LEU A 141 -12.995 -2.112 7.911 1.00 1.77 C ATOM 0 H LEU A 141 -14.390 -1.567 12.451 1.00 0.74 H new ATOM 0 HA LEU A 141 -14.094 -0.414 9.753 1.00 0.86 H new ATOM 0 HB2 LEU A 141 -14.579 -3.208 10.784 1.00 1.04 H new ATOM 0 HB3 LEU A 141 -15.258 -2.763 9.231 1.00 1.04 H new ATOM 0 HG LEU A 141 -12.325 -2.491 9.934 1.00 1.17 H new ATOM 0 HD11 LEU A 141 -11.984 -4.533 8.530 1.00 1.93 H new ATOM 0 HD12 LEU A 141 -12.989 -4.879 9.957 1.00 1.93 H new ATOM 0 HD13 LEU A 141 -13.748 -4.694 8.358 1.00 1.93 H new ATOM 0 HD21 LEU A 141 -12.033 -2.341 7.453 1.00 1.77 H new ATOM 0 HD22 LEU A 141 -13.799 -2.441 7.252 1.00 1.77 H new ATOM 0 HD23 LEU A 141 -13.074 -1.037 8.070 1.00 1.77 H new ATOM 2149 N LYS A 142 -16.587 -0.489 9.171 1.00 1.15 N ATOM 2150 CA LYS A 142 -17.950 -0.130 8.783 1.00 1.31 C ATOM 2151 C LYS A 142 -18.677 -1.441 8.466 1.00 1.52 C ATOM 2152 O LYS A 142 -18.203 -2.226 7.639 1.00 1.64 O ATOM 2153 CB LYS A 142 -17.857 0.796 7.552 1.00 1.25 C ATOM 2154 CG LYS A 142 -19.228 1.235 7.001 1.00 1.49 C ATOM 2155 CD LYS A 142 -19.147 1.827 5.582 1.00 1.95 C ATOM 2156 CE LYS A 142 -18.817 0.730 4.556 1.00 3.12 C ATOM 2157 NZ LYS A 142 -18.827 1.228 3.162 1.00 4.58 N ATOM 0 H LYS A 142 -15.981 -0.583 8.356 1.00 1.15 H new ATOM 0 HA LYS A 142 -18.497 0.399 9.563 1.00 1.31 H new ATOM 0 HB2 LYS A 142 -17.282 1.683 7.818 1.00 1.25 H new ATOM 0 HB3 LYS A 142 -17.306 0.283 6.764 1.00 1.25 H new ATOM 0 HG2 LYS A 142 -19.901 0.378 6.993 1.00 1.49 H new ATOM 0 HG3 LYS A 142 -19.663 1.975 7.673 1.00 1.49 H new ATOM 0 HD2 LYS A 142 -20.095 2.300 5.325 1.00 1.95 H new ATOM 0 HD3 LYS A 142 -18.384 2.604 5.549 1.00 1.95 H new ATOM 0 HE2 LYS A 142 -17.836 0.312 4.781 1.00 3.12 H new ATOM 0 HE3 LYS A 142 -19.539 -0.081 4.653 1.00 3.12 H new ATOM 0 HZ1 LYS A 142 -18.904 0.424 2.507 1.00 4.58 H new ATOM 0 HZ2 LYS A 142 -19.638 1.864 3.027 1.00 4.58 H new ATOM 0 HZ3 LYS A 142 -17.945 1.746 2.972 1.00 4.58 H new ATOM 2171 N GLY A 143 -19.759 -1.739 9.180 1.00 1.72 N ATOM 2172 CA GLY A 143 -20.428 -3.045 9.160 1.00 1.95 C ATOM 2173 C GLY A 143 -19.634 -4.062 9.974 1.00 1.94 C ATOM 2174 O GLY A 143 -20.119 -4.551 10.994 1.00 2.40 O ATOM 0 H GLY A 143 -20.208 -1.068 9.803 1.00 1.72 H new ATOM 0 HA2 GLY A 143 -21.435 -2.951 9.566 1.00 1.95 H new ATOM 0 HA3 GLY A 143 -20.530 -3.393 8.132 1.00 1.95 H new ATOM 2178 N GLU A 144 -18.383 -4.322 9.580 1.00 1.60 N ATOM 2179 CA GLU A 144 -17.515 -5.339 10.181 1.00 1.66 C ATOM 2180 C GLU A 144 -16.824 -4.892 11.494 1.00 1.58 C ATOM 2181 O GLU A 144 -15.682 -5.260 11.750 1.00 1.85 O ATOM 2182 CB GLU A 144 -16.597 -5.965 9.104 1.00 1.75 C ATOM 2183 CG GLU A 144 -16.054 -7.355 9.493 1.00 2.27 C ATOM 2184 CD GLU A 144 -15.645 -8.200 8.281 1.00 2.35 C ATOM 2185 OE1 GLU A 144 -16.536 -8.696 7.559 1.00 3.19 O ATOM 2186 OE2 GLU A 144 -14.434 -8.433 8.060 1.00 2.96 O ATOM 0 H GLU A 144 -17.935 -3.818 8.815 1.00 1.60 H new ATOM 0 HA GLU A 144 -18.144 -6.152 10.545 1.00 1.66 H new ATOM 0 HB2 GLU A 144 -17.151 -6.048 8.169 1.00 1.75 H new ATOM 0 HB3 GLU A 144 -15.758 -5.294 8.918 1.00 1.75 H new ATOM 0 HG2 GLU A 144 -15.193 -7.232 10.150 1.00 2.27 H new ATOM 0 HG3 GLU A 144 -16.815 -7.890 10.062 1.00 2.27 H new ATOM 2193 N GLN A 145 -17.526 -4.105 12.326 1.00 1.54 N ATOM 2194 CA GLN A 145 -17.189 -3.689 13.702 1.00 1.64 C ATOM 2195 C GLN A 145 -18.213 -2.687 14.245 1.00 1.74 C ATOM 2196 O GLN A 145 -19.125 -3.092 14.961 1.00 2.14 O ATOM 2197 CB GLN A 145 -15.752 -3.143 13.847 1.00 1.54 C ATOM 2198 CG GLN A 145 -14.739 -4.146 14.417 1.00 1.74 C ATOM 2199 CD GLN A 145 -13.369 -3.899 13.801 1.00 1.81 C ATOM 2200 OE1 GLN A 145 -12.548 -3.152 14.304 1.00 2.54 O ATOM 2201 NE2 GLN A 145 -13.126 -4.437 12.630 1.00 2.10 N ATOM 0 H GLN A 145 -18.419 -3.709 12.031 1.00 1.54 H new ATOM 0 HA GLN A 145 -17.232 -4.595 14.306 1.00 1.64 H new ATOM 0 HB2 GLN A 145 -15.403 -2.811 12.869 1.00 1.54 H new ATOM 0 HB3 GLN A 145 -15.775 -2.264 14.492 1.00 1.54 H new ATOM 0 HG2 GLN A 145 -14.684 -4.046 15.501 1.00 1.74 H new ATOM 0 HG3 GLN A 145 -15.064 -5.165 14.207 1.00 1.74 H new ATOM 0 HE21 GLN A 145 -13.810 -5.063 12.205 1.00 2.10 H new ATOM 0 HE22 GLN A 145 -12.253 -4.230 12.145 1.00 2.10 H new ATOM 2210 N ASP A 146 -18.069 -1.387 13.964 1.00 1.73 N ATOM 2211 CA ASP A 146 -18.862 -0.347 14.634 1.00 1.91 C ATOM 2212 C ASP A 146 -20.305 -0.326 14.125 1.00 1.98 C ATOM 2213 O ASP A 146 -21.227 -0.091 14.908 1.00 2.25 O ATOM 2214 CB ASP A 146 -18.192 1.027 14.462 1.00 2.03 C ATOM 2215 CG ASP A 146 -18.613 2.017 15.555 1.00 2.59 C ATOM 2216 OD1 ASP A 146 -18.314 1.754 16.747 1.00 3.23 O ATOM 2217 OD2 ASP A 146 -19.208 3.069 15.223 1.00 3.10 O ATOM 0 H ASP A 146 -17.408 -1.028 13.275 1.00 1.73 H new ATOM 0 HA ASP A 146 -18.900 -0.582 15.698 1.00 1.91 H new ATOM 0 HB2 ASP A 146 -17.109 0.906 14.481 1.00 2.03 H new ATOM 0 HB3 ASP A 146 -18.450 1.436 13.485 1.00 2.03 H new ATOM 2222 N SER A 147 -20.456 -0.658 12.838 1.00 1.92 N ATOM 2223 CA SER A 147 -21.664 -0.714 11.986 1.00 2.16 C ATOM 2224 C SER A 147 -21.746 0.530 11.105 1.00 2.23 C ATOM 2225 O SER A 147 -21.153 0.489 10.009 1.00 2.13 O ATOM 2226 CB SER A 147 -22.982 -0.964 12.729 1.00 2.50 C ATOM 2227 OG SER A 147 -22.846 -2.177 13.443 1.00 3.18 O ATOM 2228 OXT SER A 147 -22.402 1.526 11.484 1.00 3.16 O ATOM 0 H SER A 147 -19.635 -0.929 12.296 1.00 1.92 H new ATOM 0 HA SER A 147 -21.540 -1.601 11.365 1.00 2.16 H new ATOM 0 HB2 SER A 147 -23.200 -0.141 13.410 1.00 2.50 H new ATOM 0 HB3 SER A 147 -23.813 -1.024 12.026 1.00 2.50 H new ATOM 0 HG SER A 147 -23.675 -2.364 13.931 1.00 3.18 H new