USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1052 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 CYS SG : rot 180:sc= 0.652 USER MOD Set 1.2: A 137 TYR OH : rot -67:sc= 0.864 USER MOD Set 2.1: A 40 ASN : amide:sc= -0.595 K(o=-0.8,f=-5.6!) USER MOD Set 2.2: A 43 THR OG1 : rot 180:sc= -0.206 USER MOD Set 3.1: A 5 GLN : amide:sc= 1.13 K(o=2,f=-3.9) USER MOD Set 3.2: A 35 THR OG1 : rot 131:sc= 0.848 USER MOD Set 4.1: A 16 THR OG1 : rot 106:sc= 1.31 USER MOD Set 4.2: A 20 CYS SG : rot -134:sc= 1.37 USER MOD Set 4.3: A 69 TYR OH : rot 175:sc= 0.405 USER MOD Set 5.1: A 6 LYS NZ :NH3+ 146:sc= 0.942 (180deg=-0.00829) USER MOD Set 5.2: A 50 TYR OH : rot 138:sc= 0.973 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0299 K(o=-0.03,f=-0.99) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -170:sc= -0.829 (180deg=-1.15) USER MOD Single : A 17 CYS SG : rot 180:sc=0.000168 USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= 1.21 (180deg=0.882) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0.702 K(o=0.7,f=-0.22) USER MOD Single : A 45 THR OG1 : rot 4:sc= 0.21 USER MOD Single : A 47 ASN : amide:sc=-0.00744 X(o=-0.0074,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -128:sc= 1.14 USER MOD Single : A 61 GLN : amide:sc= -0.142 K(o=-0.14,f=-2.9!) USER MOD Single : A 63 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.575) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HE2:sc= 1.31 K(o=1.3,f=-4.4!) USER MOD Single : A 73 THR OG1 : rot -119:sc= -0.0408 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -158:sc= -0.396 (180deg=-2.68) USER MOD Single : A 90 ASN : amide:sc= -0.205 K(o=-0.2,f=-2.6!) USER MOD Single : A 94 LYS NZ :NH3+ -146:sc= 1.02 (180deg=-2.7!) USER MOD Single : A 97 ASN : amide:sc= 1.2 K(o=1.2,f=-0.33) USER MOD Single : A 98 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0199) USER MOD Single : A 104 ASN : amide:sc= 1.03 K(o=1,f=-0.25) USER MOD Single : A 108 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 113 THR OG1 : rot 115:sc= 1.21 USER MOD Single : A 115 THR OG1 : rot -8:sc= 1.27 USER MOD Single : A 118 TYR OH : rot 120:sc= 0 USER MOD Single : A 119 ASN : amide:sc= -1.05! C(o=-1!,f=-2.5!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 13:sc= 0.852 USER MOD Single : A 126 SER OG : rot 180:sc= 0.0235 USER MOD Single : A 129 LYS NZ :NH3+ 146:sc= -0.0271 (180deg=-0.869) USER MOD Single : A 134 LYS NZ :NH3+ -149:sc= -1.34! (180deg=-1.86!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 140:sc= 0.64 (180deg=-3.84!) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N GLN A 5 2.076 -14.524 4.178 1.00 1.38 N ATOM 66 CA GLN A 5 0.915 -13.874 3.619 1.00 1.05 C ATOM 67 C GLN A 5 0.843 -12.523 4.305 1.00 1.11 C ATOM 68 O GLN A 5 1.292 -12.383 5.442 1.00 1.53 O ATOM 69 CB GLN A 5 -0.345 -14.710 3.887 1.00 1.12 C ATOM 70 CG GLN A 5 -0.221 -16.141 3.346 1.00 1.23 C ATOM 71 CD GLN A 5 0.233 -16.163 1.888 1.00 1.26 C ATOM 72 OE1 GLN A 5 -0.220 -15.347 1.093 1.00 2.35 O ATOM 73 NE2 GLN A 5 1.163 -17.055 1.561 1.00 1.44 N ATOM 0 HA GLN A 5 0.983 -13.763 2.537 1.00 1.05 H new ATOM 0 HB2 GLN A 5 -0.534 -14.745 4.960 1.00 1.12 H new ATOM 0 HB3 GLN A 5 -1.205 -14.224 3.428 1.00 1.12 H new ATOM 0 HG2 GLN A 5 0.490 -16.699 3.956 1.00 1.23 H new ATOM 0 HG3 GLN A 5 -1.183 -16.647 3.434 1.00 1.23 H new ATOM 0 HE21 GLN A 5 1.507 -17.713 2.260 1.00 1.44 H new ATOM 0 HE22 GLN A 5 1.533 -17.081 0.611 1.00 1.44 H new ATOM 82 N LYS A 6 0.317 -11.522 3.608 1.00 0.85 N ATOM 83 CA LYS A 6 0.096 -10.218 4.196 1.00 0.88 C ATOM 84 C LYS A 6 -1.195 -9.668 3.632 1.00 0.95 C ATOM 85 O LYS A 6 -1.523 -9.938 2.475 1.00 1.19 O ATOM 86 CB LYS A 6 1.303 -9.310 3.955 1.00 1.09 C ATOM 87 CG LYS A 6 1.532 -8.968 2.476 1.00 1.42 C ATOM 88 CD LYS A 6 0.759 -7.710 2.045 1.00 1.47 C ATOM 89 CE LYS A 6 1.478 -7.069 0.860 1.00 1.42 C ATOM 90 NZ LYS A 6 0.818 -5.826 0.408 1.00 2.43 N ATOM 0 H LYS A 6 0.036 -11.596 2.630 1.00 0.85 H new ATOM 0 HA LYS A 6 -0.006 -10.283 5.279 1.00 0.88 H new ATOM 0 HB2 LYS A 6 1.169 -8.385 4.516 1.00 1.09 H new ATOM 0 HB3 LYS A 6 2.196 -9.795 4.349 1.00 1.09 H new ATOM 0 HG2 LYS A 6 2.597 -8.816 2.301 1.00 1.42 H new ATOM 0 HG3 LYS A 6 1.224 -9.811 1.858 1.00 1.42 H new ATOM 0 HD2 LYS A 6 -0.263 -7.971 1.769 1.00 1.47 H new ATOM 0 HD3 LYS A 6 0.695 -7.005 2.874 1.00 1.47 H new ATOM 0 HE2 LYS A 6 2.509 -6.850 1.139 1.00 1.42 H new ATOM 0 HE3 LYS A 6 1.516 -7.779 0.034 1.00 1.42 H new ATOM 0 HZ1 LYS A 6 1.536 -5.155 0.068 1.00 2.43 H new ATOM 0 HZ2 LYS A 6 0.156 -6.045 -0.364 1.00 2.43 H new ATOM 0 HZ3 LYS A 6 0.296 -5.402 1.201 1.00 2.43 H new ATOM 104 N GLU A 7 -1.901 -8.902 4.457 1.00 0.83 N ATOM 105 CA GLU A 7 -3.094 -8.183 4.091 1.00 0.82 C ATOM 106 C GLU A 7 -2.694 -6.857 3.450 1.00 0.84 C ATOM 107 O GLU A 7 -1.622 -6.306 3.707 1.00 1.26 O ATOM 108 CB GLU A 7 -4.000 -7.983 5.321 1.00 0.93 C ATOM 109 CG GLU A 7 -3.328 -7.329 6.540 1.00 2.59 C ATOM 110 CD GLU A 7 -2.510 -8.304 7.385 1.00 2.31 C ATOM 111 OE1 GLU A 7 -1.315 -8.478 7.049 1.00 3.00 O ATOM 112 OE2 GLU A 7 -3.096 -8.893 8.318 1.00 2.55 O ATOM 0 H GLU A 7 -1.640 -8.767 5.434 1.00 0.83 H new ATOM 0 HA GLU A 7 -3.671 -8.756 3.365 1.00 0.82 H new ATOM 0 HB2 GLU A 7 -4.853 -7.371 5.027 1.00 0.93 H new ATOM 0 HB3 GLU A 7 -4.393 -8.954 5.622 1.00 0.93 H new ATOM 0 HG2 GLU A 7 -2.677 -6.524 6.197 1.00 2.59 H new ATOM 0 HG3 GLU A 7 -4.095 -6.874 7.166 1.00 2.59 H new ATOM 119 N ILE A 8 -3.566 -6.347 2.589 1.00 0.58 N ATOM 120 CA ILE A 8 -3.569 -4.954 2.185 1.00 0.57 C ATOM 121 C ILE A 8 -5.029 -4.535 2.001 1.00 0.49 C ATOM 122 O ILE A 8 -5.733 -5.085 1.154 1.00 0.54 O ATOM 123 CB ILE A 8 -2.662 -4.745 0.958 1.00 0.62 C ATOM 124 CG1 ILE A 8 -2.689 -3.292 0.460 1.00 0.80 C ATOM 125 CG2 ILE A 8 -2.986 -5.725 -0.171 1.00 0.76 C ATOM 126 CD1 ILE A 8 -1.557 -2.961 -0.518 1.00 2.07 C ATOM 0 H ILE A 8 -4.300 -6.901 2.148 1.00 0.58 H new ATOM 0 HA ILE A 8 -3.138 -4.300 2.943 1.00 0.57 H new ATOM 0 HB ILE A 8 -1.645 -4.956 1.288 1.00 0.62 H new ATOM 0 HG12 ILE A 8 -3.646 -3.100 -0.026 1.00 0.80 H new ATOM 0 HG13 ILE A 8 -2.626 -2.621 1.317 1.00 0.80 H new ATOM 0 HG21 ILE A 8 -2.322 -5.540 -1.015 1.00 0.76 H new ATOM 0 HG22 ILE A 8 -2.847 -6.747 0.183 1.00 0.76 H new ATOM 0 HG23 ILE A 8 -4.020 -5.587 -0.487 1.00 0.76 H new ATOM 0 HD11 ILE A 8 -1.638 -1.919 -0.829 1.00 2.07 H new ATOM 0 HD12 ILE A 8 -0.596 -3.121 -0.029 1.00 2.07 H new ATOM 0 HD13 ILE A 8 -1.631 -3.607 -1.393 1.00 2.07 H new ATOM 138 N ALA A 9 -5.499 -3.611 2.842 1.00 0.47 N ATOM 139 CA ALA A 9 -6.796 -2.963 2.716 1.00 0.45 C ATOM 140 C ALA A 9 -6.593 -1.656 1.956 1.00 0.47 C ATOM 141 O ALA A 9 -5.690 -0.907 2.301 1.00 0.69 O ATOM 142 CB ALA A 9 -7.361 -2.695 4.115 1.00 0.60 C ATOM 0 H ALA A 9 -4.969 -3.287 3.651 1.00 0.47 H new ATOM 0 HA ALA A 9 -7.502 -3.594 2.176 1.00 0.45 H new ATOM 0 HB1 ALA A 9 -8.333 -2.209 4.028 1.00 0.60 H new ATOM 0 HB2 ALA A 9 -7.473 -3.639 4.649 1.00 0.60 H new ATOM 0 HB3 ALA A 9 -6.679 -2.046 4.665 1.00 0.60 H new ATOM 148 N MET A 10 -7.393 -1.365 0.930 1.00 0.36 N ATOM 149 CA MET A 10 -7.385 -0.065 0.264 1.00 0.38 C ATOM 150 C MET A 10 -8.794 0.292 -0.220 1.00 0.35 C ATOM 151 O MET A 10 -9.689 -0.549 -0.251 1.00 0.38 O ATOM 152 CB MET A 10 -6.368 -0.030 -0.895 1.00 0.46 C ATOM 153 CG MET A 10 -4.920 0.204 -0.430 1.00 0.67 C ATOM 154 SD MET A 10 -3.821 0.955 -1.662 1.00 1.62 S ATOM 155 CE MET A 10 -3.841 -0.299 -2.960 1.00 1.89 C ATOM 0 H MET A 10 -8.065 -2.025 0.538 1.00 0.36 H new ATOM 0 HA MET A 10 -7.070 0.686 0.988 1.00 0.38 H new ATOM 0 HB2 MET A 10 -6.419 -0.972 -1.442 1.00 0.46 H new ATOM 0 HB3 MET A 10 -6.650 0.759 -1.592 1.00 0.46 H new ATOM 0 HG2 MET A 10 -4.938 0.842 0.453 1.00 0.67 H new ATOM 0 HG3 MET A 10 -4.495 -0.752 -0.124 1.00 0.67 H new ATOM 0 HE1 MET A 10 -3.208 0.023 -3.787 1.00 1.89 H new ATOM 0 HE2 MET A 10 -3.465 -1.241 -2.561 1.00 1.89 H new ATOM 0 HE3 MET A 10 -4.862 -0.437 -3.317 1.00 1.89 H new ATOM 165 N GLN A 11 -8.973 1.557 -0.601 1.00 0.36 N ATOM 166 CA GLN A 11 -10.190 2.119 -1.162 1.00 0.37 C ATOM 167 C GLN A 11 -10.007 2.242 -2.680 1.00 0.40 C ATOM 168 O GLN A 11 -9.135 2.993 -3.133 1.00 0.69 O ATOM 169 CB GLN A 11 -10.448 3.489 -0.511 1.00 0.45 C ATOM 170 CG GLN A 11 -11.935 3.845 -0.560 1.00 1.22 C ATOM 171 CD GLN A 11 -12.191 5.294 -0.171 1.00 1.42 C ATOM 172 OE1 GLN A 11 -12.063 6.198 -0.990 1.00 2.04 O ATOM 173 NE2 GLN A 11 -12.556 5.536 1.086 1.00 1.63 N ATOM 0 H GLN A 11 -8.229 2.250 -0.520 1.00 0.36 H new ATOM 0 HA GLN A 11 -11.052 1.481 -0.965 1.00 0.37 H new ATOM 0 HB2 GLN A 11 -10.107 3.474 0.524 1.00 0.45 H new ATOM 0 HB3 GLN A 11 -9.869 4.256 -1.026 1.00 0.45 H new ATOM 0 HG2 GLN A 11 -12.317 3.667 -1.565 1.00 1.22 H new ATOM 0 HG3 GLN A 11 -12.487 3.187 0.111 1.00 1.22 H new ATOM 0 HE21 GLN A 11 -12.655 4.765 1.746 1.00 1.63 H new ATOM 0 HE22 GLN A 11 -12.737 6.493 1.389 1.00 1.63 H new ATOM 182 N VAL A 12 -10.806 1.501 -3.455 1.00 0.31 N ATOM 183 CA VAL A 12 -10.811 1.514 -4.906 1.00 0.33 C ATOM 184 C VAL A 12 -12.155 2.055 -5.391 1.00 0.28 C ATOM 185 O VAL A 12 -13.170 1.849 -4.731 1.00 0.41 O ATOM 186 CB VAL A 12 -10.497 0.101 -5.427 1.00 0.53 C ATOM 187 CG1 VAL A 12 -11.560 -0.948 -5.083 1.00 0.68 C ATOM 188 CG2 VAL A 12 -10.343 0.123 -6.941 1.00 0.76 C ATOM 0 H VAL A 12 -11.491 0.853 -3.065 1.00 0.31 H new ATOM 0 HA VAL A 12 -10.038 2.173 -5.301 1.00 0.33 H new ATOM 0 HB VAL A 12 -9.573 -0.187 -4.926 1.00 0.53 H new ATOM 0 HG11 VAL A 12 -11.261 -1.915 -5.487 1.00 0.68 H new ATOM 0 HG12 VAL A 12 -11.661 -1.023 -4.000 1.00 0.68 H new ATOM 0 HG13 VAL A 12 -12.516 -0.653 -5.517 1.00 0.68 H new ATOM 0 HG21 VAL A 12 -10.121 -0.882 -7.299 1.00 0.76 H new ATOM 0 HG22 VAL A 12 -11.269 0.474 -7.396 1.00 0.76 H new ATOM 0 HG23 VAL A 12 -9.528 0.794 -7.214 1.00 0.76 H new ATOM 198 N SER A 13 -12.161 2.768 -6.518 1.00 0.30 N ATOM 199 CA SER A 13 -13.360 3.365 -7.085 1.00 0.37 C ATOM 200 C SER A 13 -14.021 2.437 -8.104 1.00 0.62 C ATOM 201 O SER A 13 -13.516 1.360 -8.408 1.00 0.94 O ATOM 202 CB SER A 13 -12.981 4.675 -7.767 1.00 0.53 C ATOM 203 OG SER A 13 -12.128 5.439 -6.936 1.00 0.72 O ATOM 0 H SER A 13 -11.320 2.947 -7.066 1.00 0.30 H new ATOM 0 HA SER A 13 -14.073 3.541 -6.279 1.00 0.37 H new ATOM 0 HB2 SER A 13 -12.484 4.468 -8.715 1.00 0.53 H new ATOM 0 HB3 SER A 13 -13.881 5.246 -7.997 1.00 0.53 H new ATOM 0 HG SER A 13 -11.893 6.275 -7.389 1.00 0.72 H new ATOM 209 N GLY A 14 -15.159 2.877 -8.649 1.00 0.63 N ATOM 210 CA GLY A 14 -15.887 2.153 -9.684 1.00 0.83 C ATOM 211 C GLY A 14 -16.698 0.994 -9.105 1.00 0.89 C ATOM 212 O GLY A 14 -17.274 0.200 -9.852 1.00 1.05 O ATOM 0 H GLY A 14 -15.602 3.755 -8.378 1.00 0.63 H new ATOM 0 HA2 GLY A 14 -16.555 2.839 -10.205 1.00 0.83 H new ATOM 0 HA3 GLY A 14 -15.183 1.770 -10.423 1.00 0.83 H new ATOM 216 N MET A 15 -16.793 0.915 -7.775 1.00 0.88 N ATOM 217 CA MET A 15 -17.661 -0.035 -7.098 1.00 1.03 C ATOM 218 C MET A 15 -19.124 0.372 -7.265 1.00 1.04 C ATOM 219 O MET A 15 -19.776 0.826 -6.331 1.00 1.28 O ATOM 220 CB MET A 15 -17.252 -0.196 -5.625 1.00 1.09 C ATOM 221 CG MET A 15 -16.265 -1.356 -5.489 1.00 1.20 C ATOM 222 SD MET A 15 -15.846 -1.842 -3.797 1.00 1.99 S ATOM 223 CE MET A 15 -14.827 -0.440 -3.324 1.00 3.16 C ATOM 0 H MET A 15 -16.265 1.514 -7.140 1.00 0.88 H new ATOM 0 HA MET A 15 -17.547 -1.016 -7.559 1.00 1.03 H new ATOM 0 HB2 MET A 15 -16.798 0.725 -5.261 1.00 1.09 H new ATOM 0 HB3 MET A 15 -18.133 -0.381 -5.011 1.00 1.09 H new ATOM 0 HG2 MET A 15 -16.680 -2.223 -6.003 1.00 1.20 H new ATOM 0 HG3 MET A 15 -15.345 -1.088 -6.008 1.00 1.20 H new ATOM 0 HE1 MET A 15 -14.336 -0.651 -2.374 1.00 3.16 H new ATOM 0 HE2 MET A 15 -14.073 -0.263 -4.091 1.00 3.16 H new ATOM 0 HE3 MET A 15 -15.453 0.446 -3.219 1.00 3.16 H new ATOM 233 N THR A 16 -19.655 0.152 -8.467 1.00 0.98 N ATOM 234 CA THR A 16 -21.070 0.284 -8.756 1.00 1.05 C ATOM 235 C THR A 16 -21.896 -0.523 -7.751 1.00 1.16 C ATOM 236 O THR A 16 -22.891 -0.020 -7.236 1.00 1.54 O ATOM 237 CB THR A 16 -21.319 -0.191 -10.194 1.00 1.14 C ATOM 238 OG1 THR A 16 -20.332 0.373 -11.035 1.00 1.16 O ATOM 239 CG2 THR A 16 -22.713 0.198 -10.692 1.00 1.29 C ATOM 0 H THR A 16 -19.100 -0.127 -9.276 1.00 0.98 H new ATOM 0 HA THR A 16 -21.378 1.326 -8.665 1.00 1.05 H new ATOM 0 HB THR A 16 -21.262 -1.279 -10.213 1.00 1.14 H new ATOM 0 HG1 THR A 16 -19.680 -0.316 -11.281 1.00 1.16 H new ATOM 0 HG21 THR A 16 -22.847 -0.158 -11.714 1.00 1.29 H new ATOM 0 HG22 THR A 16 -23.468 -0.254 -10.049 1.00 1.29 H new ATOM 0 HG23 THR A 16 -22.818 1.283 -10.669 1.00 1.29 H new ATOM 247 N CYS A 17 -21.487 -1.774 -7.496 1.00 1.08 N ATOM 248 CA CYS A 17 -22.162 -2.679 -6.563 1.00 1.33 C ATOM 249 C CYS A 17 -21.432 -4.028 -6.534 1.00 1.28 C ATOM 250 O CYS A 17 -20.315 -4.133 -7.051 1.00 2.68 O ATOM 251 CB CYS A 17 -23.660 -2.862 -6.908 1.00 2.52 C ATOM 252 SG CYS A 17 -24.659 -2.699 -5.400 1.00 3.33 S ATOM 0 H CYS A 17 -20.667 -2.188 -7.939 1.00 1.08 H new ATOM 0 HA CYS A 17 -22.125 -2.231 -5.570 1.00 1.33 H new ATOM 0 HB2 CYS A 17 -23.968 -2.117 -7.642 1.00 2.52 H new ATOM 0 HB3 CYS A 17 -23.822 -3.841 -7.359 1.00 2.52 H new ATOM 0 HG CYS A 17 -25.916 -2.851 -5.694 1.00 3.33 H new ATOM 258 N ALA A 18 -22.078 -5.061 -5.970 1.00 1.75 N ATOM 259 CA ALA A 18 -21.605 -6.437 -5.858 1.00 2.36 C ATOM 260 C ALA A 18 -21.530 -7.120 -7.228 1.00 2.07 C ATOM 261 O ALA A 18 -22.255 -8.071 -7.507 1.00 3.39 O ATOM 262 CB ALA A 18 -22.549 -7.205 -4.921 1.00 3.82 C ATOM 0 H ALA A 18 -23.003 -4.943 -5.556 1.00 1.75 H new ATOM 0 HA ALA A 18 -20.595 -6.434 -5.449 1.00 2.36 H new ATOM 0 HB1 ALA A 18 -22.209 -8.236 -4.827 1.00 3.82 H new ATOM 0 HB2 ALA A 18 -22.551 -6.732 -3.939 1.00 3.82 H new ATOM 0 HB3 ALA A 18 -23.559 -7.192 -5.331 1.00 3.82 H new ATOM 268 N ALA A 19 -20.640 -6.622 -8.083 1.00 1.71 N ATOM 269 CA ALA A 19 -20.427 -7.092 -9.441 1.00 1.33 C ATOM 270 C ALA A 19 -19.088 -6.544 -9.921 1.00 0.94 C ATOM 271 O ALA A 19 -18.213 -7.292 -10.345 1.00 0.84 O ATOM 272 CB ALA A 19 -21.572 -6.624 -10.349 1.00 1.89 C ATOM 0 H ALA A 19 -20.024 -5.848 -7.834 1.00 1.71 H new ATOM 0 HA ALA A 19 -20.411 -8.181 -9.472 1.00 1.33 H new ATOM 0 HB1 ALA A 19 -21.401 -6.982 -11.364 1.00 1.89 H new ATOM 0 HB2 ALA A 19 -22.517 -7.022 -9.978 1.00 1.89 H new ATOM 0 HB3 ALA A 19 -21.613 -5.535 -10.351 1.00 1.89 H new ATOM 278 N CYS A 20 -18.919 -5.225 -9.800 1.00 0.83 N ATOM 279 CA CYS A 20 -17.708 -4.520 -10.188 1.00 0.70 C ATOM 280 C CYS A 20 -16.525 -5.070 -9.403 1.00 0.60 C ATOM 281 O CYS A 20 -15.572 -5.602 -9.972 1.00 0.59 O ATOM 282 CB CYS A 20 -17.899 -3.017 -9.939 1.00 0.74 C ATOM 283 SG CYS A 20 -18.668 -2.293 -11.405 1.00 0.81 S ATOM 0 H CYS A 20 -19.639 -4.610 -9.421 1.00 0.83 H new ATOM 0 HA CYS A 20 -17.506 -4.669 -11.249 1.00 0.70 H new ATOM 0 HB2 CYS A 20 -18.525 -2.854 -9.062 1.00 0.74 H new ATOM 0 HB3 CYS A 20 -16.939 -2.540 -9.739 1.00 0.74 H new ATOM 0 HG CYS A 20 -18.048 -1.196 -11.723 1.00 0.81 H new ATOM 289 N ALA A 21 -16.607 -4.990 -8.075 1.00 0.71 N ATOM 290 CA ALA A 21 -15.568 -5.556 -7.236 1.00 0.93 C ATOM 291 C ALA A 21 -15.474 -7.065 -7.431 1.00 0.75 C ATOM 292 O ALA A 21 -14.383 -7.596 -7.592 1.00 0.64 O ATOM 293 CB ALA A 21 -15.800 -5.208 -5.778 1.00 1.55 C ATOM 0 H ALA A 21 -17.373 -4.544 -7.569 1.00 0.71 H new ATOM 0 HA ALA A 21 -14.616 -5.119 -7.537 1.00 0.93 H new ATOM 0 HB1 ALA A 21 -15.008 -5.644 -5.169 1.00 1.55 H new ATOM 0 HB2 ALA A 21 -15.796 -4.125 -5.657 1.00 1.55 H new ATOM 0 HB3 ALA A 21 -16.763 -5.605 -5.458 1.00 1.55 H new ATOM 299 N ALA A 22 -16.616 -7.759 -7.448 1.00 0.87 N ATOM 300 CA ALA A 22 -16.634 -9.203 -7.646 1.00 0.90 C ATOM 301 C ALA A 22 -15.808 -9.598 -8.873 1.00 0.73 C ATOM 302 O ALA A 22 -15.042 -10.553 -8.815 1.00 0.76 O ATOM 303 CB ALA A 22 -18.073 -9.710 -7.756 1.00 1.14 C ATOM 0 H ALA A 22 -17.538 -7.340 -7.327 1.00 0.87 H new ATOM 0 HA ALA A 22 -16.176 -9.676 -6.777 1.00 0.90 H new ATOM 0 HB1 ALA A 22 -18.068 -10.790 -7.904 1.00 1.14 H new ATOM 0 HB2 ALA A 22 -18.614 -9.471 -6.840 1.00 1.14 H new ATOM 0 HB3 ALA A 22 -18.564 -9.230 -8.603 1.00 1.14 H new ATOM 309 N ARG A 23 -15.927 -8.848 -9.972 1.00 0.63 N ATOM 310 CA ARG A 23 -15.134 -9.055 -11.168 1.00 0.63 C ATOM 311 C ARG A 23 -13.647 -8.944 -10.853 1.00 0.50 C ATOM 312 O ARG A 23 -12.869 -9.803 -11.268 1.00 0.58 O ATOM 313 CB ARG A 23 -15.527 -8.033 -12.249 1.00 0.68 C ATOM 314 CG ARG A 23 -16.449 -8.649 -13.299 1.00 0.86 C ATOM 315 CD ARG A 23 -15.718 -9.769 -14.057 1.00 0.95 C ATOM 316 NE ARG A 23 -15.919 -9.670 -15.515 1.00 1.11 N ATOM 317 CZ ARG A 23 -15.358 -8.743 -16.312 1.00 1.91 C ATOM 318 NH1 ARG A 23 -14.560 -7.808 -15.785 1.00 3.56 N ATOM 319 NH2 ARG A 23 -15.599 -8.750 -17.628 1.00 1.84 N ATOM 0 H ARG A 23 -16.586 -8.074 -10.048 1.00 0.63 H new ATOM 0 HA ARG A 23 -15.332 -10.059 -11.543 1.00 0.63 H new ATOM 0 HB2 ARG A 23 -16.024 -7.182 -11.782 1.00 0.68 H new ATOM 0 HB3 ARG A 23 -14.628 -7.651 -12.733 1.00 0.68 H new ATOM 0 HG2 ARG A 23 -17.343 -9.048 -12.819 1.00 0.86 H new ATOM 0 HG3 ARG A 23 -16.779 -7.881 -13.999 1.00 0.86 H new ATOM 0 HD2 ARG A 23 -14.652 -9.722 -13.834 1.00 0.95 H new ATOM 0 HD3 ARG A 23 -16.075 -10.737 -13.706 1.00 0.95 H new ATOM 0 HE ARG A 23 -16.531 -10.358 -15.953 1.00 1.11 H new ATOM 0 HH11 ARG A 23 -14.378 -7.799 -14.781 1.00 3.56 H new ATOM 0 HH12 ARG A 23 -14.133 -7.104 -16.387 1.00 3.56 H new ATOM 0 HH21 ARG A 23 -16.210 -9.460 -18.031 1.00 1.84 H new ATOM 0 HH22 ARG A 23 -15.171 -8.045 -18.229 1.00 1.84 H new ATOM 333 N ILE A 24 -13.254 -7.882 -10.150 1.00 0.43 N ATOM 334 CA ILE A 24 -11.878 -7.684 -9.747 1.00 0.48 C ATOM 335 C ILE A 24 -11.422 -8.900 -8.942 1.00 0.47 C ATOM 336 O ILE A 24 -10.498 -9.584 -9.371 1.00 0.56 O ATOM 337 CB ILE A 24 -11.730 -6.355 -8.990 1.00 0.55 C ATOM 338 CG1 ILE A 24 -12.049 -5.156 -9.906 1.00 0.65 C ATOM 339 CG2 ILE A 24 -10.305 -6.231 -8.467 1.00 0.72 C ATOM 340 CD1 ILE A 24 -12.392 -3.883 -9.122 1.00 0.53 C ATOM 0 H ILE A 24 -13.886 -7.140 -9.848 1.00 0.43 H new ATOM 0 HA ILE A 24 -11.226 -7.604 -10.617 1.00 0.48 H new ATOM 0 HB ILE A 24 -12.436 -6.348 -8.160 1.00 0.55 H new ATOM 0 HG12 ILE A 24 -11.193 -4.960 -10.551 1.00 0.65 H new ATOM 0 HG13 ILE A 24 -12.886 -5.414 -10.556 1.00 0.65 H new ATOM 0 HG21 ILE A 24 -10.195 -5.289 -7.929 1.00 0.72 H new ATOM 0 HG22 ILE A 24 -10.091 -7.061 -7.793 1.00 0.72 H new ATOM 0 HG23 ILE A 24 -9.607 -6.254 -9.304 1.00 0.72 H new ATOM 0 HD11 ILE A 24 -12.607 -3.073 -9.819 1.00 0.53 H new ATOM 0 HD12 ILE A 24 -13.266 -4.065 -8.497 1.00 0.53 H new ATOM 0 HD13 ILE A 24 -11.547 -3.605 -8.492 1.00 0.53 H new ATOM 352 N GLU A 25 -12.077 -9.221 -7.823 1.00 0.51 N ATOM 353 CA GLU A 25 -11.664 -10.317 -6.958 1.00 0.61 C ATOM 354 C GLU A 25 -11.598 -11.642 -7.730 1.00 0.48 C ATOM 355 O GLU A 25 -10.624 -12.392 -7.628 1.00 0.48 O ATOM 356 CB GLU A 25 -12.593 -10.402 -5.738 1.00 0.91 C ATOM 357 CG GLU A 25 -12.724 -9.065 -4.992 1.00 1.04 C ATOM 358 CD GLU A 25 -11.377 -8.431 -4.682 1.00 3.05 C ATOM 359 OE1 GLU A 25 -10.639 -9.049 -3.888 1.00 4.18 O ATOM 360 OE2 GLU A 25 -11.097 -7.367 -5.275 1.00 4.33 O ATOM 0 H GLU A 25 -12.907 -8.726 -7.496 1.00 0.51 H new ATOM 0 HA GLU A 25 -10.655 -10.119 -6.597 1.00 0.61 H new ATOM 0 HB2 GLU A 25 -13.581 -10.730 -6.062 1.00 0.91 H new ATOM 0 HB3 GLU A 25 -12.215 -11.160 -5.052 1.00 0.91 H new ATOM 0 HG2 GLU A 25 -13.316 -8.375 -5.593 1.00 1.04 H new ATOM 0 HG3 GLU A 25 -13.268 -9.225 -4.061 1.00 1.04 H new ATOM 367 N LYS A 26 -12.622 -11.925 -8.538 1.00 0.55 N ATOM 368 CA LYS A 26 -12.701 -13.112 -9.370 1.00 0.70 C ATOM 369 C LYS A 26 -11.640 -13.117 -10.478 1.00 0.79 C ATOM 370 O LYS A 26 -11.372 -14.172 -11.060 1.00 1.37 O ATOM 371 CB LYS A 26 -14.123 -13.247 -9.928 1.00 1.01 C ATOM 372 CG LYS A 26 -14.460 -14.698 -10.293 1.00 1.48 C ATOM 373 CD LYS A 26 -15.143 -14.832 -11.662 1.00 1.38 C ATOM 374 CE LYS A 26 -14.218 -14.525 -12.850 1.00 2.03 C ATOM 375 NZ LYS A 26 -13.006 -15.370 -12.855 1.00 3.65 N ATOM 0 H LYS A 26 -13.435 -11.316 -8.629 1.00 0.55 H new ATOM 0 HA LYS A 26 -12.483 -13.984 -8.754 1.00 0.70 H new ATOM 0 HB2 LYS A 26 -14.838 -12.883 -9.190 1.00 1.01 H new ATOM 0 HB3 LYS A 26 -14.227 -12.617 -10.811 1.00 1.01 H new ATOM 0 HG2 LYS A 26 -13.544 -15.289 -10.291 1.00 1.48 H new ATOM 0 HG3 LYS A 26 -15.111 -15.117 -9.526 1.00 1.48 H new ATOM 0 HD2 LYS A 26 -15.529 -15.846 -11.767 1.00 1.38 H new ATOM 0 HD3 LYS A 26 -16.000 -14.159 -11.697 1.00 1.38 H new ATOM 0 HE2 LYS A 26 -14.765 -14.674 -13.781 1.00 2.03 H new ATOM 0 HE3 LYS A 26 -13.925 -13.476 -12.817 1.00 2.03 H new ATOM 0 HZ1 LYS A 26 -12.510 -15.261 -13.763 1.00 3.65 H new ATOM 0 HZ2 LYS A 26 -12.377 -15.079 -12.080 1.00 3.65 H new ATOM 0 HZ3 LYS A 26 -13.277 -16.366 -12.726 1.00 3.65 H new ATOM 389 N GLY A 27 -11.068 -11.956 -10.804 1.00 0.58 N ATOM 390 CA GLY A 27 -9.906 -11.818 -11.666 1.00 0.66 C ATOM 391 C GLY A 27 -8.616 -11.978 -10.860 1.00 0.60 C ATOM 392 O GLY A 27 -7.658 -12.580 -11.330 1.00 0.69 O ATOM 0 H GLY A 27 -11.417 -11.061 -10.461 1.00 0.58 H new ATOM 0 HA2 GLY A 27 -9.942 -12.567 -12.457 1.00 0.66 H new ATOM 0 HA3 GLY A 27 -9.920 -10.842 -12.151 1.00 0.66 H new ATOM 396 N LEU A 28 -8.572 -11.458 -9.636 1.00 0.49 N ATOM 397 CA LEU A 28 -7.397 -11.541 -8.783 1.00 0.44 C ATOM 398 C LEU A 28 -7.117 -12.997 -8.416 1.00 0.47 C ATOM 399 O LEU A 28 -5.973 -13.431 -8.483 1.00 0.48 O ATOM 400 CB LEU A 28 -7.538 -10.647 -7.549 1.00 0.47 C ATOM 401 CG LEU A 28 -6.750 -9.319 -7.593 1.00 0.68 C ATOM 402 CD1 LEU A 28 -6.913 -8.737 -6.199 1.00 2.13 C ATOM 403 CD2 LEU A 28 -5.257 -9.500 -7.905 1.00 2.72 C ATOM 0 H LEU A 28 -9.356 -10.965 -9.209 1.00 0.49 H new ATOM 0 HA LEU A 28 -6.536 -11.166 -9.336 1.00 0.44 H new ATOM 0 HB2 LEU A 28 -8.594 -10.417 -7.408 1.00 0.47 H new ATOM 0 HB3 LEU A 28 -7.215 -11.212 -6.675 1.00 0.47 H new ATOM 0 HG LEU A 28 -7.131 -8.681 -8.390 1.00 0.68 H new ATOM 0 HD11 LEU A 28 -6.383 -7.787 -6.137 1.00 2.13 H new ATOM 0 HD12 LEU A 28 -7.971 -8.576 -5.993 1.00 2.13 H new ATOM 0 HD13 LEU A 28 -6.502 -9.430 -5.465 1.00 2.13 H new ATOM 0 HD21 LEU A 28 -4.768 -8.526 -7.920 1.00 2.72 H new ATOM 0 HD22 LEU A 28 -4.798 -10.125 -7.139 1.00 2.72 H new ATOM 0 HD23 LEU A 28 -5.144 -9.978 -8.878 1.00 2.72 H new ATOM 415 N LYS A 29 -8.159 -13.774 -8.109 1.00 0.52 N ATOM 416 CA LYS A 29 -8.054 -15.214 -7.869 1.00 0.60 C ATOM 417 C LYS A 29 -7.361 -15.968 -9.016 1.00 0.63 C ATOM 418 O LYS A 29 -6.966 -17.116 -8.835 1.00 0.71 O ATOM 419 CB LYS A 29 -9.426 -15.836 -7.522 1.00 0.70 C ATOM 420 CG LYS A 29 -9.629 -16.031 -6.006 1.00 0.84 C ATOM 421 CD LYS A 29 -9.923 -14.719 -5.265 1.00 1.25 C ATOM 422 CE LYS A 29 -11.425 -14.392 -5.195 1.00 1.57 C ATOM 423 NZ LYS A 29 -12.082 -14.978 -4.005 1.00 1.86 N ATOM 0 H LYS A 29 -9.110 -13.416 -8.019 1.00 0.52 H new ATOM 0 HA LYS A 29 -7.408 -15.330 -6.999 1.00 0.60 H new ATOM 0 HB2 LYS A 29 -10.218 -15.196 -7.910 1.00 0.70 H new ATOM 0 HB3 LYS A 29 -9.520 -16.799 -8.023 1.00 0.70 H new ATOM 0 HG2 LYS A 29 -10.452 -16.726 -5.842 1.00 0.84 H new ATOM 0 HG3 LYS A 29 -8.736 -16.489 -5.582 1.00 0.84 H new ATOM 0 HD2 LYS A 29 -9.523 -14.782 -4.253 1.00 1.25 H new ATOM 0 HD3 LYS A 29 -9.402 -13.902 -5.763 1.00 1.25 H new ATOM 0 HE2 LYS A 29 -11.557 -13.310 -5.182 1.00 1.57 H new ATOM 0 HE3 LYS A 29 -11.916 -14.762 -6.095 1.00 1.57 H new ATOM 0 HZ1 LYS A 29 -13.091 -14.727 -4.007 1.00 1.86 H new ATOM 0 HZ2 LYS A 29 -11.982 -16.013 -4.028 1.00 1.86 H new ATOM 0 HZ3 LYS A 29 -11.635 -14.606 -3.143 1.00 1.86 H new ATOM 437 N ARG A 30 -7.232 -15.369 -10.207 1.00 0.63 N ATOM 438 CA ARG A 30 -6.443 -15.962 -11.278 1.00 0.69 C ATOM 439 C ARG A 30 -4.968 -16.134 -10.877 1.00 0.67 C ATOM 440 O ARG A 30 -4.293 -17.009 -11.415 1.00 0.75 O ATOM 441 CB ARG A 30 -6.569 -15.092 -12.536 1.00 0.75 C ATOM 442 CG ARG A 30 -6.554 -15.898 -13.840 1.00 0.87 C ATOM 443 CD ARG A 30 -7.930 -16.541 -14.091 1.00 1.45 C ATOM 444 NE ARG A 30 -8.007 -17.190 -15.409 1.00 1.78 N ATOM 445 CZ ARG A 30 -7.546 -18.418 -15.703 1.00 2.69 C ATOM 446 NH1 ARG A 30 -6.888 -19.122 -14.776 1.00 4.25 N ATOM 447 NH2 ARG A 30 -7.750 -18.931 -16.922 1.00 2.90 N ATOM 0 H ARG A 30 -7.665 -14.477 -10.446 1.00 0.63 H new ATOM 0 HA ARG A 30 -6.831 -16.960 -11.482 1.00 0.69 H new ATOM 0 HB2 ARG A 30 -7.496 -14.521 -12.482 1.00 0.75 H new ATOM 0 HB3 ARG A 30 -5.751 -14.372 -12.554 1.00 0.75 H new ATOM 0 HG2 ARG A 30 -6.292 -15.247 -14.674 1.00 0.87 H new ATOM 0 HG3 ARG A 30 -5.788 -16.672 -13.788 1.00 0.87 H new ATOM 0 HD2 ARG A 30 -8.133 -17.277 -13.313 1.00 1.45 H new ATOM 0 HD3 ARG A 30 -8.705 -15.778 -14.018 1.00 1.45 H new ATOM 0 HE ARG A 30 -8.447 -16.664 -16.164 1.00 1.78 H new ATOM 0 HH11 ARG A 30 -6.737 -18.727 -13.848 1.00 4.25 H new ATOM 0 HH12 ARG A 30 -6.537 -20.054 -14.997 1.00 4.25 H new ATOM 0 HH21 ARG A 30 -8.254 -18.390 -17.625 1.00 2.90 H new ATOM 0 HH22 ARG A 30 -7.401 -19.863 -17.148 1.00 2.90 H new ATOM 461 N MET A 31 -4.456 -15.279 -9.983 1.00 0.59 N ATOM 462 CA MET A 31 -3.074 -15.327 -9.513 1.00 0.59 C ATOM 463 C MET A 31 -2.912 -16.408 -8.435 1.00 0.58 C ATOM 464 O MET A 31 -3.837 -16.625 -7.657 1.00 0.60 O ATOM 465 CB MET A 31 -2.696 -13.964 -8.923 1.00 0.56 C ATOM 466 CG MET A 31 -2.585 -12.853 -9.975 1.00 0.72 C ATOM 467 SD MET A 31 -0.892 -12.489 -10.522 1.00 1.10 S ATOM 468 CE MET A 31 -0.845 -13.344 -12.112 1.00 1.77 C ATOM 0 H MET A 31 -5.001 -14.526 -9.563 1.00 0.59 H new ATOM 0 HA MET A 31 -2.422 -15.566 -10.353 1.00 0.59 H new ATOM 0 HB2 MET A 31 -3.442 -13.678 -8.181 1.00 0.56 H new ATOM 0 HB3 MET A 31 -1.744 -14.055 -8.400 1.00 0.56 H new ATOM 0 HG2 MET A 31 -3.180 -13.134 -10.844 1.00 0.72 H new ATOM 0 HG3 MET A 31 -3.024 -11.942 -9.569 1.00 0.72 H new ATOM 0 HE1 MET A 31 0.136 -13.210 -12.568 1.00 1.77 H new ATOM 0 HE2 MET A 31 -1.032 -14.407 -11.959 1.00 1.77 H new ATOM 0 HE3 MET A 31 -1.611 -12.932 -12.769 1.00 1.77 H new ATOM 478 N PRO A 32 -1.741 -17.062 -8.348 1.00 0.68 N ATOM 479 CA PRO A 32 -1.479 -18.093 -7.354 1.00 0.74 C ATOM 480 C PRO A 32 -1.330 -17.507 -5.945 1.00 0.74 C ATOM 481 O PRO A 32 -1.865 -18.064 -4.991 1.00 1.30 O ATOM 482 CB PRO A 32 -0.200 -18.793 -7.820 1.00 0.93 C ATOM 483 CG PRO A 32 0.536 -17.715 -8.616 1.00 0.98 C ATOM 484 CD PRO A 32 -0.599 -16.899 -9.235 1.00 0.85 C ATOM 0 HA PRO A 32 -2.311 -18.793 -7.279 1.00 0.74 H new ATOM 0 HB2 PRO A 32 0.395 -19.143 -6.976 1.00 0.93 H new ATOM 0 HB3 PRO A 32 -0.422 -19.664 -8.437 1.00 0.93 H new ATOM 0 HG2 PRO A 32 1.168 -17.102 -7.974 1.00 0.98 H new ATOM 0 HG3 PRO A 32 1.182 -18.149 -9.379 1.00 0.98 H new ATOM 0 HD2 PRO A 32 -0.321 -15.849 -9.324 1.00 0.85 H new ATOM 0 HD3 PRO A 32 -0.831 -17.253 -10.239 1.00 0.85 H new ATOM 492 N GLY A 33 -0.616 -16.384 -5.806 1.00 0.54 N ATOM 493 CA GLY A 33 -0.247 -15.847 -4.507 1.00 0.50 C ATOM 494 C GLY A 33 -1.464 -15.339 -3.749 1.00 0.47 C ATOM 495 O GLY A 33 -1.435 -15.261 -2.521 1.00 0.50 O ATOM 0 H GLY A 33 -0.282 -15.829 -6.594 1.00 0.54 H new ATOM 0 HA2 GLY A 33 0.252 -16.619 -3.921 1.00 0.50 H new ATOM 0 HA3 GLY A 33 0.467 -15.034 -4.637 1.00 0.50 H new ATOM 499 N VAL A 34 -2.523 -14.964 -4.477 1.00 0.47 N ATOM 500 CA VAL A 34 -3.805 -14.590 -3.907 1.00 0.44 C ATOM 501 C VAL A 34 -4.302 -15.702 -2.990 1.00 0.54 C ATOM 502 O VAL A 34 -4.776 -16.737 -3.451 1.00 0.71 O ATOM 503 CB VAL A 34 -4.792 -14.200 -5.018 1.00 0.48 C ATOM 504 CG1 VAL A 34 -6.239 -14.206 -4.516 1.00 1.27 C ATOM 505 CG2 VAL A 34 -4.439 -12.788 -5.504 1.00 1.05 C ATOM 0 H VAL A 34 -2.503 -14.914 -5.496 1.00 0.47 H new ATOM 0 HA VAL A 34 -3.701 -13.702 -3.284 1.00 0.44 H new ATOM 0 HB VAL A 34 -4.713 -14.928 -5.825 1.00 0.48 H new ATOM 0 HG11 VAL A 34 -6.908 -13.925 -5.330 1.00 1.27 H new ATOM 0 HG12 VAL A 34 -6.497 -15.204 -4.162 1.00 1.27 H new ATOM 0 HG13 VAL A 34 -6.343 -13.493 -3.698 1.00 1.27 H new ATOM 0 HG21 VAL A 34 -5.129 -12.492 -6.294 1.00 1.05 H new ATOM 0 HG22 VAL A 34 -4.517 -12.087 -4.673 1.00 1.05 H new ATOM 0 HG23 VAL A 34 -3.420 -12.780 -5.891 1.00 1.05 H new ATOM 515 N THR A 35 -4.199 -15.460 -1.682 1.00 0.56 N ATOM 516 CA THR A 35 -4.618 -16.405 -0.673 1.00 0.74 C ATOM 517 C THR A 35 -6.081 -16.141 -0.342 1.00 0.90 C ATOM 518 O THR A 35 -6.880 -17.076 -0.331 1.00 1.09 O ATOM 519 CB THR A 35 -3.674 -16.322 0.529 1.00 0.89 C ATOM 520 OG1 THR A 35 -2.408 -16.781 0.104 1.00 0.85 O ATOM 521 CG2 THR A 35 -4.138 -17.207 1.689 1.00 1.11 C ATOM 0 H THR A 35 -3.818 -14.594 -1.301 1.00 0.56 H new ATOM 0 HA THR A 35 -4.555 -17.434 -1.028 1.00 0.74 H new ATOM 0 HB THR A 35 -3.649 -15.291 0.883 1.00 0.89 H new ATOM 0 HG1 THR A 35 -1.719 -16.140 0.377 1.00 0.85 H new ATOM 0 HG21 THR A 35 -3.438 -17.116 2.519 1.00 1.11 H new ATOM 0 HG22 THR A 35 -5.129 -16.891 2.014 1.00 1.11 H new ATOM 0 HG23 THR A 35 -4.178 -18.246 1.361 1.00 1.11 H new ATOM 529 N ASP A 36 -6.443 -14.874 -0.104 1.00 0.86 N ATOM 530 CA ASP A 36 -7.825 -14.505 0.159 1.00 1.09 C ATOM 531 C ASP A 36 -8.076 -13.083 -0.350 1.00 0.93 C ATOM 532 O ASP A 36 -7.464 -12.137 0.137 1.00 1.17 O ATOM 533 CB ASP A 36 -8.118 -14.662 1.660 1.00 1.44 C ATOM 534 CG ASP A 36 -9.574 -15.011 1.914 1.00 1.76 C ATOM 535 OD1 ASP A 36 -10.402 -14.659 1.044 1.00 1.68 O ATOM 536 OD2 ASP A 36 -9.840 -15.611 2.975 1.00 2.85 O ATOM 0 H ASP A 36 -5.790 -14.091 -0.090 1.00 0.86 H new ATOM 0 HA ASP A 36 -8.510 -15.164 -0.374 1.00 1.09 H new ATOM 0 HB2 ASP A 36 -7.479 -15.441 2.076 1.00 1.44 H new ATOM 0 HB3 ASP A 36 -7.870 -13.736 2.178 1.00 1.44 H new ATOM 541 N ALA A 37 -8.913 -12.926 -1.378 1.00 0.80 N ATOM 542 CA ALA A 37 -9.195 -11.644 -2.020 1.00 0.68 C ATOM 543 C ALA A 37 -10.660 -11.297 -1.771 1.00 0.58 C ATOM 544 O ALA A 37 -11.531 -12.075 -2.180 1.00 0.67 O ATOM 545 CB ALA A 37 -8.876 -11.728 -3.514 1.00 0.83 C ATOM 0 H ALA A 37 -9.424 -13.704 -1.795 1.00 0.80 H new ATOM 0 HA ALA A 37 -8.570 -10.855 -1.601 1.00 0.68 H new ATOM 0 HB1 ALA A 37 -9.089 -10.769 -3.986 1.00 0.83 H new ATOM 0 HB2 ALA A 37 -7.822 -11.973 -3.648 1.00 0.83 H new ATOM 0 HB3 ALA A 37 -9.490 -12.503 -3.974 1.00 0.83 H new ATOM 551 N ASN A 38 -10.911 -10.198 -1.047 1.00 0.48 N ATOM 552 CA ASN A 38 -12.227 -9.805 -0.566 1.00 0.50 C ATOM 553 C ASN A 38 -12.448 -8.315 -0.797 1.00 0.43 C ATOM 554 O ASN A 38 -11.514 -7.553 -1.036 1.00 0.37 O ATOM 555 CB ASN A 38 -12.356 -10.111 0.933 1.00 0.56 C ATOM 556 CG ASN A 38 -12.271 -11.606 1.190 1.00 0.74 C ATOM 557 OD1 ASN A 38 -13.286 -12.296 1.182 1.00 1.78 O ATOM 558 ND2 ASN A 38 -11.060 -12.108 1.385 1.00 1.34 N ATOM 0 H ASN A 38 -10.177 -9.544 -0.776 1.00 0.48 H new ATOM 0 HA ASN A 38 -12.979 -10.371 -1.116 1.00 0.50 H new ATOM 0 HB2 ASN A 38 -11.567 -9.598 1.482 1.00 0.56 H new ATOM 0 HB3 ASN A 38 -13.305 -9.727 1.306 1.00 0.56 H new ATOM 0 HD21 ASN A 38 -10.942 -13.110 1.537 1.00 1.34 H new ATOM 0 HD22 ASN A 38 -10.246 -11.493 1.383 1.00 1.34 H new ATOM 565 N VAL A 39 -13.704 -7.885 -0.681 1.00 0.57 N ATOM 566 CA VAL A 39 -14.090 -6.512 -0.920 1.00 0.50 C ATOM 567 C VAL A 39 -15.351 -6.179 -0.132 1.00 0.65 C ATOM 568 O VAL A 39 -16.419 -6.751 -0.342 1.00 0.89 O ATOM 569 CB VAL A 39 -14.218 -6.253 -2.427 1.00 0.61 C ATOM 570 CG1 VAL A 39 -15.273 -7.173 -3.071 1.00 0.97 C ATOM 571 CG2 VAL A 39 -14.504 -4.759 -2.645 1.00 0.58 C ATOM 0 H VAL A 39 -14.481 -8.491 -0.416 1.00 0.57 H new ATOM 0 HA VAL A 39 -13.315 -5.836 -0.559 1.00 0.50 H new ATOM 0 HB VAL A 39 -13.282 -6.498 -2.929 1.00 0.61 H new ATOM 0 HG11 VAL A 39 -15.337 -6.962 -4.138 1.00 0.97 H new ATOM 0 HG12 VAL A 39 -14.986 -8.214 -2.924 1.00 0.97 H new ATOM 0 HG13 VAL A 39 -16.243 -6.995 -2.607 1.00 0.97 H new ATOM 0 HG21 VAL A 39 -14.598 -4.558 -3.712 1.00 0.58 H new ATOM 0 HG22 VAL A 39 -15.433 -4.489 -2.142 1.00 0.58 H new ATOM 0 HG23 VAL A 39 -13.685 -4.168 -2.235 1.00 0.58 H new ATOM 581 N ASN A 40 -15.200 -5.248 0.803 1.00 0.61 N ATOM 582 CA ASN A 40 -16.257 -4.739 1.640 1.00 0.80 C ATOM 583 C ASN A 40 -16.921 -3.586 0.895 1.00 0.78 C ATOM 584 O ASN A 40 -16.571 -2.424 1.091 1.00 0.68 O ATOM 585 CB ASN A 40 -15.646 -4.298 2.971 1.00 0.91 C ATOM 586 CG ASN A 40 -16.723 -3.990 3.999 1.00 1.59 C ATOM 587 OD1 ASN A 40 -17.875 -3.742 3.650 1.00 3.27 O ATOM 588 ND2 ASN A 40 -16.361 -4.045 5.277 1.00 1.92 N ATOM 0 H ASN A 40 -14.297 -4.816 0.999 1.00 0.61 H new ATOM 0 HA ASN A 40 -17.016 -5.491 1.857 1.00 0.80 H new ATOM 0 HB2 ASN A 40 -14.992 -5.083 3.351 1.00 0.91 H new ATOM 0 HB3 ASN A 40 -15.027 -3.415 2.814 1.00 0.91 H new ATOM 0 HD21 ASN A 40 -17.050 -3.878 6.010 1.00 1.92 H new ATOM 0 HD22 ASN A 40 -15.394 -4.254 5.525 1.00 1.92 H new ATOM 595 N LEU A 41 -17.866 -3.910 0.009 1.00 0.94 N ATOM 596 CA LEU A 41 -18.571 -2.908 -0.780 1.00 0.96 C ATOM 597 C LEU A 41 -19.414 -1.990 0.111 1.00 0.97 C ATOM 598 O LEU A 41 -19.702 -0.860 -0.266 1.00 0.99 O ATOM 599 CB LEU A 41 -19.379 -3.566 -1.912 1.00 1.08 C ATOM 600 CG LEU A 41 -20.726 -4.183 -1.488 1.00 1.30 C ATOM 601 CD1 LEU A 41 -21.891 -3.375 -2.076 1.00 1.35 C ATOM 602 CD2 LEU A 41 -20.829 -5.636 -1.958 1.00 1.78 C ATOM 0 H LEU A 41 -18.159 -4.869 -0.178 1.00 0.94 H new ATOM 0 HA LEU A 41 -17.834 -2.265 -1.262 1.00 0.96 H new ATOM 0 HB2 LEU A 41 -19.567 -2.819 -2.683 1.00 1.08 H new ATOM 0 HB3 LEU A 41 -18.768 -4.346 -2.366 1.00 1.08 H new ATOM 0 HG LEU A 41 -20.780 -4.158 -0.400 1.00 1.30 H new ATOM 0 HD11 LEU A 41 -22.836 -3.822 -1.768 1.00 1.35 H new ATOM 0 HD12 LEU A 41 -21.841 -2.348 -1.714 1.00 1.35 H new ATOM 0 HD13 LEU A 41 -21.825 -3.380 -3.164 1.00 1.35 H new ATOM 0 HD21 LEU A 41 -21.788 -6.052 -1.648 1.00 1.78 H new ATOM 0 HD22 LEU A 41 -20.752 -5.673 -3.045 1.00 1.78 H new ATOM 0 HD23 LEU A 41 -20.021 -6.219 -1.517 1.00 1.78 H new ATOM 614 N ALA A 42 -19.783 -2.460 1.308 1.00 1.01 N ATOM 615 CA ALA A 42 -20.608 -1.698 2.232 1.00 1.02 C ATOM 616 C ALA A 42 -19.869 -0.445 2.697 1.00 0.92 C ATOM 617 O ALA A 42 -20.496 0.585 2.933 1.00 0.91 O ATOM 618 CB ALA A 42 -21.018 -2.568 3.423 1.00 1.13 C ATOM 0 H ALA A 42 -19.514 -3.380 1.657 1.00 1.01 H new ATOM 0 HA ALA A 42 -21.514 -1.383 1.715 1.00 1.02 H new ATOM 0 HB1 ALA A 42 -21.635 -1.983 4.105 1.00 1.13 H new ATOM 0 HB2 ALA A 42 -21.585 -3.428 3.067 1.00 1.13 H new ATOM 0 HB3 ALA A 42 -20.126 -2.913 3.946 1.00 1.13 H new ATOM 624 N THR A 43 -18.543 -0.540 2.833 1.00 0.87 N ATOM 625 CA THR A 43 -17.691 0.573 3.233 1.00 0.85 C ATOM 626 C THR A 43 -16.718 0.956 2.114 1.00 0.78 C ATOM 627 O THR A 43 -15.765 1.691 2.369 1.00 0.82 O ATOM 628 CB THR A 43 -16.935 0.167 4.505 1.00 0.86 C ATOM 629 OG1 THR A 43 -16.290 -1.072 4.290 1.00 0.82 O ATOM 630 CG2 THR A 43 -17.901 0.025 5.686 1.00 1.02 C ATOM 0 H THR A 43 -18.029 -1.405 2.665 1.00 0.87 H new ATOM 0 HA THR A 43 -18.305 1.452 3.432 1.00 0.85 H new ATOM 0 HB THR A 43 -16.203 0.941 4.736 1.00 0.86 H new ATOM 0 HG1 THR A 43 -15.805 -1.333 5.101 1.00 0.82 H new ATOM 0 HG21 THR A 43 -17.345 -0.263 6.578 1.00 1.02 H new ATOM 0 HG22 THR A 43 -18.402 0.977 5.863 1.00 1.02 H new ATOM 0 HG23 THR A 43 -18.644 -0.740 5.459 1.00 1.02 H new ATOM 638 N GLU A 44 -16.942 0.453 0.892 1.00 0.75 N ATOM 639 CA GLU A 44 -16.021 0.570 -0.228 1.00 0.74 C ATOM 640 C GLU A 44 -14.574 0.338 0.210 1.00 0.78 C ATOM 641 O GLU A 44 -13.776 1.269 0.242 1.00 1.25 O ATOM 642 CB GLU A 44 -16.179 1.930 -0.920 1.00 0.77 C ATOM 643 CG GLU A 44 -17.511 2.019 -1.667 1.00 0.89 C ATOM 644 CD GLU A 44 -17.592 3.317 -2.461 1.00 0.98 C ATOM 645 OE1 GLU A 44 -16.905 3.380 -3.504 1.00 1.77 O ATOM 646 OE2 GLU A 44 -18.316 4.225 -2.002 1.00 1.74 O ATOM 0 H GLU A 44 -17.793 -0.058 0.658 1.00 0.75 H new ATOM 0 HA GLU A 44 -16.271 -0.209 -0.948 1.00 0.74 H new ATOM 0 HB2 GLU A 44 -16.121 2.727 -0.179 1.00 0.77 H new ATOM 0 HB3 GLU A 44 -15.356 2.083 -1.618 1.00 0.77 H new ATOM 0 HG2 GLU A 44 -17.615 1.167 -2.339 1.00 0.89 H new ATOM 0 HG3 GLU A 44 -18.337 1.968 -0.957 1.00 0.89 H new ATOM 653 N THR A 45 -14.202 -0.893 0.554 1.00 0.47 N ATOM 654 CA THR A 45 -12.827 -1.193 0.915 1.00 0.38 C ATOM 655 C THR A 45 -12.460 -2.557 0.336 1.00 0.34 C ATOM 656 O THR A 45 -13.020 -3.568 0.748 1.00 0.44 O ATOM 657 CB THR A 45 -12.690 -1.090 2.440 1.00 0.54 C ATOM 658 OG1 THR A 45 -12.781 0.271 2.820 1.00 0.77 O ATOM 659 CG2 THR A 45 -11.355 -1.643 2.932 1.00 0.56 C ATOM 0 H THR A 45 -14.834 -1.693 0.589 1.00 0.47 H new ATOM 0 HA THR A 45 -12.118 -0.480 0.494 1.00 0.38 H new ATOM 0 HB THR A 45 -13.490 -1.680 2.887 1.00 0.54 H new ATOM 0 HG1 THR A 45 -12.969 0.819 2.030 1.00 0.77 H new ATOM 0 HG21 THR A 45 -11.300 -1.550 4.017 1.00 0.56 H new ATOM 0 HG22 THR A 45 -11.271 -2.693 2.653 1.00 0.56 H new ATOM 0 HG23 THR A 45 -10.539 -1.081 2.478 1.00 0.56 H new ATOM 667 N VAL A 46 -11.530 -2.588 -0.620 1.00 0.27 N ATOM 668 CA VAL A 46 -10.991 -3.818 -1.171 1.00 0.25 C ATOM 669 C VAL A 46 -9.911 -4.284 -0.202 1.00 0.28 C ATOM 670 O VAL A 46 -9.103 -3.476 0.250 1.00 0.39 O ATOM 671 CB VAL A 46 -10.487 -3.590 -2.610 1.00 0.25 C ATOM 672 CG1 VAL A 46 -9.473 -2.445 -2.766 1.00 0.31 C ATOM 673 CG2 VAL A 46 -9.871 -4.875 -3.167 1.00 0.28 C ATOM 0 H VAL A 46 -11.130 -1.746 -1.034 1.00 0.27 H new ATOM 0 HA VAL A 46 -11.744 -4.600 -1.264 1.00 0.25 H new ATOM 0 HB VAL A 46 -11.373 -3.297 -3.174 1.00 0.25 H new ATOM 0 HG11 VAL A 46 -9.177 -2.361 -3.812 1.00 0.31 H new ATOM 0 HG12 VAL A 46 -9.928 -1.509 -2.442 1.00 0.31 H new ATOM 0 HG13 VAL A 46 -8.594 -2.652 -2.155 1.00 0.31 H new ATOM 0 HG21 VAL A 46 -9.520 -4.699 -4.184 1.00 0.28 H new ATOM 0 HG22 VAL A 46 -9.032 -5.178 -2.540 1.00 0.28 H new ATOM 0 HG23 VAL A 46 -10.622 -5.665 -3.174 1.00 0.28 H new ATOM 683 N ASN A 47 -9.929 -5.562 0.175 1.00 0.28 N ATOM 684 CA ASN A 47 -8.970 -6.127 1.105 1.00 0.34 C ATOM 685 C ASN A 47 -8.452 -7.431 0.530 1.00 0.34 C ATOM 686 O ASN A 47 -9.205 -8.393 0.372 1.00 0.37 O ATOM 687 CB ASN A 47 -9.592 -6.349 2.478 1.00 0.50 C ATOM 688 CG ASN A 47 -8.641 -7.103 3.399 1.00 2.38 C ATOM 689 OD1 ASN A 47 -8.918 -8.225 3.806 1.00 3.56 O ATOM 690 ND2 ASN A 47 -7.505 -6.501 3.736 1.00 4.04 N ATOM 0 H ASN A 47 -10.618 -6.234 -0.163 1.00 0.28 H new ATOM 0 HA ASN A 47 -8.144 -5.428 1.240 1.00 0.34 H new ATOM 0 HB2 ASN A 47 -9.848 -5.388 2.924 1.00 0.50 H new ATOM 0 HB3 ASN A 47 -10.521 -6.909 2.373 1.00 0.50 H new ATOM 0 HD21 ASN A 47 -6.839 -6.974 4.347 1.00 4.04 H new ATOM 0 HD22 ASN A 47 -7.299 -5.566 3.383 1.00 4.04 H new ATOM 697 N VAL A 48 -7.165 -7.442 0.206 1.00 0.38 N ATOM 698 CA VAL A 48 -6.539 -8.566 -0.464 1.00 0.43 C ATOM 699 C VAL A 48 -5.448 -9.107 0.447 1.00 0.53 C ATOM 700 O VAL A 48 -4.686 -8.332 1.022 1.00 0.55 O ATOM 701 CB VAL A 48 -5.997 -8.166 -1.847 1.00 0.38 C ATOM 702 CG1 VAL A 48 -5.861 -9.415 -2.725 1.00 0.41 C ATOM 703 CG2 VAL A 48 -6.911 -7.171 -2.575 1.00 0.37 C ATOM 0 H VAL A 48 -6.529 -6.669 0.402 1.00 0.38 H new ATOM 0 HA VAL A 48 -7.274 -9.349 -0.651 1.00 0.43 H new ATOM 0 HB VAL A 48 -5.032 -7.687 -1.681 1.00 0.38 H new ATOM 0 HG11 VAL A 48 -5.477 -9.131 -3.705 1.00 0.41 H new ATOM 0 HG12 VAL A 48 -5.172 -10.117 -2.255 1.00 0.41 H new ATOM 0 HG13 VAL A 48 -6.837 -9.887 -2.841 1.00 0.41 H new ATOM 0 HG21 VAL A 48 -6.480 -6.924 -3.545 1.00 0.37 H new ATOM 0 HG22 VAL A 48 -7.895 -7.618 -2.718 1.00 0.37 H new ATOM 0 HG23 VAL A 48 -7.008 -6.263 -1.979 1.00 0.37 H new ATOM 713 N ILE A 49 -5.390 -10.430 0.578 1.00 0.63 N ATOM 714 CA ILE A 49 -4.388 -11.159 1.332 1.00 0.73 C ATOM 715 C ILE A 49 -3.697 -12.086 0.346 1.00 0.65 C ATOM 716 O ILE A 49 -4.347 -12.918 -0.298 1.00 0.62 O ATOM 717 CB ILE A 49 -5.009 -11.943 2.501 1.00 0.91 C ATOM 718 CG1 ILE A 49 -5.581 -10.971 3.548 1.00 1.14 C ATOM 719 CG2 ILE A 49 -3.949 -12.847 3.160 1.00 0.97 C ATOM 720 CD1 ILE A 49 -6.711 -11.596 4.366 1.00 1.48 C ATOM 0 H ILE A 49 -6.074 -11.046 0.139 1.00 0.63 H new ATOM 0 HA ILE A 49 -3.675 -10.472 1.788 1.00 0.73 H new ATOM 0 HB ILE A 49 -5.815 -12.564 2.111 1.00 0.91 H new ATOM 0 HG12 ILE A 49 -4.783 -10.653 4.219 1.00 1.14 H new ATOM 0 HG13 ILE A 49 -5.951 -10.077 3.046 1.00 1.14 H new ATOM 0 HG21 ILE A 49 -4.402 -13.396 3.986 1.00 0.97 H new ATOM 0 HG22 ILE A 49 -3.563 -13.552 2.424 1.00 0.97 H new ATOM 0 HG23 ILE A 49 -3.131 -12.233 3.538 1.00 0.97 H new ATOM 0 HD11 ILE A 49 -7.080 -10.870 5.090 1.00 1.48 H new ATOM 0 HD12 ILE A 49 -7.523 -11.890 3.700 1.00 1.48 H new ATOM 0 HD13 ILE A 49 -6.337 -12.475 4.891 1.00 1.48 H new ATOM 732 N TYR A 50 -2.384 -11.929 0.197 1.00 0.64 N ATOM 733 CA TYR A 50 -1.645 -12.692 -0.792 1.00 0.56 C ATOM 734 C TYR A 50 -0.185 -12.817 -0.407 1.00 0.64 C ATOM 735 O TYR A 50 0.290 -12.138 0.509 1.00 0.76 O ATOM 736 CB TYR A 50 -1.763 -12.013 -2.163 1.00 0.45 C ATOM 737 CG TYR A 50 -1.319 -10.570 -2.171 1.00 0.47 C ATOM 738 CD1 TYR A 50 0.034 -10.218 -2.331 1.00 1.98 C ATOM 739 CD2 TYR A 50 -2.286 -9.573 -1.990 1.00 1.85 C ATOM 740 CE1 TYR A 50 0.418 -8.868 -2.246 1.00 1.96 C ATOM 741 CE2 TYR A 50 -1.918 -8.227 -2.027 1.00 1.90 C ATOM 742 CZ TYR A 50 -0.563 -7.877 -2.075 1.00 0.59 C ATOM 743 OH TYR A 50 -0.207 -6.570 -1.930 1.00 0.79 O ATOM 0 H TYR A 50 -1.817 -11.283 0.747 1.00 0.64 H new ATOM 0 HA TYR A 50 -2.072 -13.694 -0.840 1.00 0.56 H new ATOM 0 HB2 TYR A 50 -1.167 -12.570 -2.886 1.00 0.45 H new ATOM 0 HB3 TYR A 50 -2.800 -12.066 -2.496 1.00 0.45 H new ATOM 0 HD1 TYR A 50 0.774 -10.982 -2.518 1.00 1.98 H new ATOM 0 HD2 TYR A 50 -3.317 -9.846 -1.822 1.00 1.85 H new ATOM 0 HE1 TYR A 50 1.461 -8.595 -2.312 1.00 1.96 H new ATOM 0 HE2 TYR A 50 -2.676 -7.458 -2.019 1.00 1.90 H new ATOM 0 HH TYR A 50 -0.813 -6.006 -2.455 1.00 0.79 H new ATOM 753 N ASP A 51 0.508 -13.665 -1.167 1.00 0.62 N ATOM 754 CA ASP A 51 1.895 -13.989 -0.937 1.00 0.71 C ATOM 755 C ASP A 51 2.778 -12.870 -1.492 1.00 0.72 C ATOM 756 O ASP A 51 2.759 -12.623 -2.704 1.00 0.72 O ATOM 757 CB ASP A 51 2.206 -15.318 -1.622 1.00 0.86 C ATOM 758 CG ASP A 51 3.421 -15.920 -0.957 1.00 1.19 C ATOM 759 OD1 ASP A 51 4.502 -15.320 -1.145 1.00 2.37 O ATOM 760 OD2 ASP A 51 3.206 -16.919 -0.235 1.00 1.54 O ATOM 0 H ASP A 51 0.105 -14.148 -1.970 1.00 0.62 H new ATOM 0 HA ASP A 51 2.093 -14.083 0.131 1.00 0.71 H new ATOM 0 HB2 ASP A 51 1.355 -15.995 -1.543 1.00 0.86 H new ATOM 0 HB3 ASP A 51 2.392 -15.163 -2.685 1.00 0.86 H new ATOM 765 N PRO A 52 3.557 -12.157 -0.664 1.00 0.77 N ATOM 766 CA PRO A 52 4.332 -11.008 -1.101 1.00 0.83 C ATOM 767 C PRO A 52 5.626 -11.445 -1.802 1.00 0.93 C ATOM 768 O PRO A 52 6.653 -10.781 -1.660 1.00 1.04 O ATOM 769 CB PRO A 52 4.596 -10.232 0.195 1.00 0.90 C ATOM 770 CG PRO A 52 4.758 -11.348 1.230 1.00 0.95 C ATOM 771 CD PRO A 52 3.776 -12.415 0.747 1.00 0.86 C ATOM 0 HA PRO A 52 3.815 -10.397 -1.841 1.00 0.83 H new ATOM 0 HB2 PRO A 52 5.491 -9.615 0.122 1.00 0.90 H new ATOM 0 HB3 PRO A 52 3.769 -9.566 0.444 1.00 0.90 H new ATOM 0 HG2 PRO A 52 5.780 -11.725 1.259 1.00 0.95 H new ATOM 0 HG3 PRO A 52 4.516 -11.003 2.235 1.00 0.95 H new ATOM 0 HD2 PRO A 52 4.181 -13.415 0.901 1.00 0.86 H new ATOM 0 HD3 PRO A 52 2.839 -12.362 1.302 1.00 0.86 H new ATOM 779 N ALA A 53 5.582 -12.540 -2.566 1.00 0.93 N ATOM 780 CA ALA A 53 6.764 -13.107 -3.220 1.00 1.04 C ATOM 781 C ALA A 53 6.423 -14.005 -4.410 1.00 0.97 C ATOM 782 O ALA A 53 7.255 -14.789 -4.861 1.00 1.15 O ATOM 783 CB ALA A 53 7.613 -13.873 -2.204 1.00 1.22 C ATOM 0 H ALA A 53 4.723 -13.059 -2.749 1.00 0.93 H new ATOM 0 HA ALA A 53 7.333 -12.267 -3.618 1.00 1.04 H new ATOM 0 HB1 ALA A 53 8.488 -14.290 -2.702 1.00 1.22 H new ATOM 0 HB2 ALA A 53 7.934 -13.195 -1.413 1.00 1.22 H new ATOM 0 HB3 ALA A 53 7.023 -14.681 -1.772 1.00 1.22 H new ATOM 789 N GLU A 54 5.224 -13.822 -4.954 1.00 0.91 N ATOM 790 CA GLU A 54 4.781 -14.398 -6.207 1.00 0.94 C ATOM 791 C GLU A 54 4.148 -13.300 -7.056 1.00 0.91 C ATOM 792 O GLU A 54 4.416 -13.187 -8.249 1.00 1.11 O ATOM 793 CB GLU A 54 3.731 -15.487 -5.963 1.00 0.93 C ATOM 794 CG GLU A 54 4.299 -16.755 -5.319 1.00 0.96 C ATOM 795 CD GLU A 54 3.349 -17.931 -5.522 1.00 1.03 C ATOM 796 OE1 GLU A 54 2.131 -17.662 -5.611 1.00 1.74 O ATOM 797 OE2 GLU A 54 3.856 -19.067 -5.642 1.00 1.92 O ATOM 0 H GLU A 54 4.510 -13.244 -4.511 1.00 0.91 H new ATOM 0 HA GLU A 54 5.640 -14.838 -6.713 1.00 0.94 H new ATOM 0 HB2 GLU A 54 2.946 -15.085 -5.323 1.00 0.93 H new ATOM 0 HB3 GLU A 54 3.265 -15.750 -6.913 1.00 0.93 H new ATOM 0 HG2 GLU A 54 5.271 -16.986 -5.754 1.00 0.96 H new ATOM 0 HG3 GLU A 54 4.458 -16.589 -4.254 1.00 0.96 H new ATOM 804 N THR A 55 3.246 -12.532 -6.437 1.00 0.72 N ATOM 805 CA THR A 55 2.309 -11.679 -7.119 1.00 0.67 C ATOM 806 C THR A 55 2.867 -10.256 -7.130 1.00 0.76 C ATOM 807 O THR A 55 3.460 -9.835 -8.119 1.00 0.86 O ATOM 808 CB THR A 55 1.000 -11.875 -6.357 1.00 0.63 C ATOM 809 OG1 THR A 55 0.563 -13.210 -6.527 1.00 0.68 O ATOM 810 CG2 THR A 55 -0.105 -10.972 -6.844 1.00 0.60 C ATOM 0 H THR A 55 3.157 -12.496 -5.421 1.00 0.72 H new ATOM 0 HA THR A 55 2.136 -11.908 -8.171 1.00 0.67 H new ATOM 0 HB THR A 55 1.204 -11.635 -5.314 1.00 0.63 H new ATOM 0 HG1 THR A 55 -0.276 -13.344 -6.039 1.00 0.68 H new ATOM 0 HG21 THR A 55 -1.009 -11.158 -6.264 1.00 0.60 H new ATOM 0 HG22 THR A 55 0.196 -9.931 -6.723 1.00 0.60 H new ATOM 0 HG23 THR A 55 -0.302 -11.173 -7.897 1.00 0.60 H new ATOM 818 N GLY A 56 2.720 -9.526 -6.020 1.00 0.77 N ATOM 819 CA GLY A 56 3.327 -8.226 -5.841 1.00 0.87 C ATOM 820 C GLY A 56 2.221 -7.186 -5.819 1.00 0.77 C ATOM 821 O GLY A 56 1.478 -7.049 -6.784 1.00 0.76 O ATOM 0 H GLY A 56 2.169 -9.834 -5.219 1.00 0.77 H new ATOM 0 HA2 GLY A 56 3.895 -8.196 -4.911 1.00 0.87 H new ATOM 0 HA3 GLY A 56 4.028 -8.019 -6.650 1.00 0.87 H new ATOM 825 N THR A 57 2.115 -6.463 -4.706 1.00 0.72 N ATOM 826 CA THR A 57 1.239 -5.308 -4.514 1.00 0.70 C ATOM 827 C THR A 57 1.003 -4.500 -5.801 1.00 0.69 C ATOM 828 O THR A 57 -0.139 -4.263 -6.202 1.00 0.62 O ATOM 829 CB THR A 57 1.773 -4.475 -3.337 1.00 0.79 C ATOM 830 OG1 THR A 57 0.937 -3.379 -3.050 1.00 1.01 O ATOM 831 CG2 THR A 57 3.219 -4.021 -3.529 1.00 0.84 C ATOM 0 H THR A 57 2.664 -6.677 -3.873 1.00 0.72 H new ATOM 0 HA THR A 57 0.239 -5.658 -4.258 1.00 0.70 H new ATOM 0 HB THR A 57 1.766 -5.144 -2.476 1.00 0.79 H new ATOM 0 HG1 THR A 57 1.472 -2.558 -3.021 1.00 1.01 H new ATOM 0 HG21 THR A 57 3.535 -3.438 -2.664 1.00 0.84 H new ATOM 0 HG22 THR A 57 3.864 -4.894 -3.634 1.00 0.84 H new ATOM 0 HG23 THR A 57 3.291 -3.407 -4.427 1.00 0.84 H new ATOM 839 N ALA A 58 2.088 -4.137 -6.488 1.00 0.78 N ATOM 840 CA ALA A 58 2.017 -3.368 -7.722 1.00 0.81 C ATOM 841 C ALA A 58 1.270 -4.133 -8.818 1.00 0.76 C ATOM 842 O ALA A 58 0.503 -3.543 -9.569 1.00 0.74 O ATOM 843 CB ALA A 58 3.429 -2.984 -8.171 1.00 0.95 C ATOM 0 H ALA A 58 3.038 -4.370 -6.201 1.00 0.78 H new ATOM 0 HA ALA A 58 1.450 -2.457 -7.533 1.00 0.81 H new ATOM 0 HB1 ALA A 58 3.373 -2.408 -9.095 1.00 0.95 H new ATOM 0 HB2 ALA A 58 3.906 -2.383 -7.397 1.00 0.95 H new ATOM 0 HB3 ALA A 58 4.015 -3.887 -8.341 1.00 0.95 H new ATOM 849 N ALA A 59 1.456 -5.450 -8.913 1.00 0.75 N ATOM 850 CA ALA A 59 0.717 -6.255 -9.871 1.00 0.71 C ATOM 851 C ALA A 59 -0.754 -6.365 -9.472 1.00 0.61 C ATOM 852 O ALA A 59 -1.618 -6.343 -10.343 1.00 0.62 O ATOM 853 CB ALA A 59 1.344 -7.637 -10.005 1.00 0.78 C ATOM 0 H ALA A 59 2.113 -5.976 -8.337 1.00 0.75 H new ATOM 0 HA ALA A 59 0.767 -5.760 -10.841 1.00 0.71 H new ATOM 0 HB1 ALA A 59 0.777 -8.225 -10.726 1.00 0.78 H new ATOM 0 HB2 ALA A 59 2.374 -7.538 -10.347 1.00 0.78 H new ATOM 0 HB3 ALA A 59 1.330 -8.138 -9.037 1.00 0.78 H new ATOM 859 N ILE A 60 -1.054 -6.474 -8.169 1.00 0.56 N ATOM 860 CA ILE A 60 -2.441 -6.481 -7.700 1.00 0.52 C ATOM 861 C ILE A 60 -3.100 -5.204 -8.234 1.00 0.53 C ATOM 862 O ILE A 60 -4.102 -5.268 -8.944 1.00 0.54 O ATOM 863 CB ILE A 60 -2.561 -6.543 -6.158 1.00 0.55 C ATOM 864 CG1 ILE A 60 -1.637 -7.540 -5.442 1.00 0.71 C ATOM 865 CG2 ILE A 60 -3.978 -6.724 -5.612 1.00 0.46 C ATOM 866 CD1 ILE A 60 -2.176 -8.964 -5.323 1.00 0.54 C ATOM 0 H ILE A 60 -0.358 -6.558 -7.429 1.00 0.56 H new ATOM 0 HA ILE A 60 -2.936 -7.379 -8.069 1.00 0.52 H new ATOM 0 HB ILE A 60 -2.218 -5.536 -5.918 1.00 0.55 H new ATOM 0 HG12 ILE A 60 -0.685 -7.573 -5.973 1.00 0.71 H new ATOM 0 HG13 ILE A 60 -1.430 -7.163 -4.440 1.00 0.71 H new ATOM 0 HG21 ILE A 60 -3.947 -6.754 -4.523 1.00 0.46 H new ATOM 0 HG22 ILE A 60 -4.601 -5.890 -5.934 1.00 0.46 H new ATOM 0 HG23 ILE A 60 -4.397 -7.657 -5.989 1.00 0.46 H new ATOM 0 HD11 ILE A 60 -1.448 -9.586 -4.803 1.00 0.54 H new ATOM 0 HD12 ILE A 60 -3.111 -8.954 -4.763 1.00 0.54 H new ATOM 0 HD13 ILE A 60 -2.354 -9.370 -6.319 1.00 0.54 H new ATOM 878 N GLN A 61 -2.504 -4.042 -7.931 1.00 0.56 N ATOM 879 CA GLN A 61 -3.076 -2.774 -8.362 1.00 0.59 C ATOM 880 C GLN A 61 -3.105 -2.680 -9.894 1.00 0.62 C ATOM 881 O GLN A 61 -4.120 -2.260 -10.452 1.00 0.62 O ATOM 882 CB GLN A 61 -2.483 -1.578 -7.583 1.00 0.65 C ATOM 883 CG GLN A 61 -1.196 -0.936 -8.116 1.00 0.73 C ATOM 884 CD GLN A 61 -1.466 0.181 -9.116 1.00 1.74 C ATOM 885 OE1 GLN A 61 -1.694 -0.077 -10.291 1.00 3.56 O ATOM 886 NE2 GLN A 61 -1.432 1.430 -8.667 1.00 1.26 N ATOM 0 H GLN A 61 -1.639 -3.961 -7.397 1.00 0.56 H new ATOM 0 HA GLN A 61 -4.129 -2.724 -8.087 1.00 0.59 H new ATOM 0 HB2 GLN A 61 -3.247 -0.802 -7.532 1.00 0.65 H new ATOM 0 HB3 GLN A 61 -2.293 -1.907 -6.561 1.00 0.65 H new ATOM 0 HG2 GLN A 61 -0.620 -0.538 -7.280 1.00 0.73 H new ATOM 0 HG3 GLN A 61 -0.582 -1.702 -8.590 1.00 0.73 H new ATOM 0 HE21 GLN A 61 -1.239 1.613 -7.682 1.00 1.26 H new ATOM 0 HE22 GLN A 61 -1.599 2.207 -9.307 1.00 1.26 H new ATOM 895 N GLU A 62 -2.062 -3.172 -10.583 1.00 0.65 N ATOM 896 CA GLU A 62 -2.067 -3.223 -12.042 1.00 0.69 C ATOM 897 C GLU A 62 -3.292 -3.999 -12.520 1.00 0.63 C ATOM 898 O GLU A 62 -3.948 -3.595 -13.475 1.00 0.64 O ATOM 899 CB GLU A 62 -0.783 -3.864 -12.599 1.00 0.80 C ATOM 900 CG GLU A 62 -0.695 -3.698 -14.127 1.00 0.97 C ATOM 901 CD GLU A 62 0.356 -4.591 -14.774 1.00 1.28 C ATOM 902 OE1 GLU A 62 1.341 -4.922 -14.081 1.00 1.98 O ATOM 903 OE2 GLU A 62 0.141 -4.932 -15.960 1.00 2.04 O ATOM 0 H GLU A 62 -1.213 -3.536 -10.150 1.00 0.65 H new ATOM 0 HA GLU A 62 -2.107 -2.200 -12.415 1.00 0.69 H new ATOM 0 HB2 GLU A 62 0.088 -3.406 -12.130 1.00 0.80 H new ATOM 0 HB3 GLU A 62 -0.762 -4.924 -12.344 1.00 0.80 H new ATOM 0 HG2 GLU A 62 -1.668 -3.919 -14.565 1.00 0.97 H new ATOM 0 HG3 GLU A 62 -0.469 -2.657 -14.359 1.00 0.97 H new ATOM 910 N LYS A 63 -3.613 -5.119 -11.869 1.00 0.59 N ATOM 911 CA LYS A 63 -4.733 -5.954 -12.240 1.00 0.55 C ATOM 912 C LYS A 63 -6.023 -5.144 -12.151 1.00 0.54 C ATOM 913 O LYS A 63 -6.857 -5.199 -13.057 1.00 0.57 O ATOM 914 CB LYS A 63 -4.793 -7.209 -11.352 1.00 0.52 C ATOM 915 CG LYS A 63 -4.727 -8.516 -12.148 1.00 0.88 C ATOM 916 CD LYS A 63 -5.921 -8.700 -13.098 1.00 1.70 C ATOM 917 CE LYS A 63 -5.630 -8.262 -14.546 1.00 2.10 C ATOM 918 NZ LYS A 63 -6.457 -8.976 -15.539 1.00 3.65 N ATOM 0 H LYS A 63 -3.092 -5.466 -11.064 1.00 0.59 H new ATOM 0 HA LYS A 63 -4.607 -6.292 -13.269 1.00 0.55 H new ATOM 0 HB2 LYS A 63 -3.968 -7.182 -10.641 1.00 0.52 H new ATOM 0 HB3 LYS A 63 -5.715 -7.191 -10.771 1.00 0.52 H new ATOM 0 HG2 LYS A 63 -3.803 -8.537 -12.726 1.00 0.88 H new ATOM 0 HG3 LYS A 63 -4.688 -9.356 -11.455 1.00 0.88 H new ATOM 0 HD2 LYS A 63 -6.217 -9.749 -13.097 1.00 1.70 H new ATOM 0 HD3 LYS A 63 -6.768 -8.129 -12.718 1.00 1.70 H new ATOM 0 HE2 LYS A 63 -5.805 -7.190 -14.638 1.00 2.10 H new ATOM 0 HE3 LYS A 63 -4.577 -8.433 -14.767 1.00 2.10 H new ATOM 0 HZ1 LYS A 63 -6.578 -8.380 -16.383 1.00 3.65 H new ATOM 0 HZ2 LYS A 63 -5.988 -9.865 -15.807 1.00 3.65 H new ATOM 0 HZ3 LYS A 63 -7.389 -9.187 -15.128 1.00 3.65 H new ATOM 932 N ILE A 64 -6.189 -4.397 -11.058 1.00 0.54 N ATOM 933 CA ILE A 64 -7.367 -3.573 -10.869 1.00 0.54 C ATOM 934 C ILE A 64 -7.445 -2.514 -11.975 1.00 0.53 C ATOM 935 O ILE A 64 -8.505 -2.316 -12.571 1.00 0.54 O ATOM 936 CB ILE A 64 -7.409 -2.950 -9.462 1.00 0.55 C ATOM 937 CG1 ILE A 64 -7.236 -3.990 -8.340 1.00 0.53 C ATOM 938 CG2 ILE A 64 -8.772 -2.267 -9.310 1.00 0.88 C ATOM 939 CD1 ILE A 64 -7.029 -3.356 -6.961 1.00 0.60 C ATOM 0 H ILE A 64 -5.516 -4.351 -10.293 1.00 0.54 H new ATOM 0 HA ILE A 64 -8.250 -4.207 -10.944 1.00 0.54 H new ATOM 0 HB ILE A 64 -6.580 -2.249 -9.367 1.00 0.55 H new ATOM 0 HG12 ILE A 64 -8.116 -4.633 -8.310 1.00 0.53 H new ATOM 0 HG13 ILE A 64 -6.383 -4.628 -8.572 1.00 0.53 H new ATOM 0 HG21 ILE A 64 -8.842 -1.811 -8.322 1.00 0.88 H new ATOM 0 HG22 ILE A 64 -8.880 -1.497 -10.074 1.00 0.88 H new ATOM 0 HG23 ILE A 64 -9.564 -3.006 -9.426 1.00 0.88 H new ATOM 0 HD11 ILE A 64 -6.913 -4.141 -6.213 1.00 0.60 H new ATOM 0 HD12 ILE A 64 -6.133 -2.735 -6.977 1.00 0.60 H new ATOM 0 HD13 ILE A 64 -7.893 -2.740 -6.710 1.00 0.60 H new ATOM 951 N GLU A 65 -6.328 -1.850 -12.288 1.00 0.55 N ATOM 952 CA GLU A 65 -6.360 -0.831 -13.333 1.00 0.58 C ATOM 953 C GLU A 65 -6.648 -1.454 -14.704 1.00 0.61 C ATOM 954 O GLU A 65 -7.513 -0.975 -15.435 1.00 0.65 O ATOM 955 CB GLU A 65 -5.118 0.066 -13.290 1.00 0.71 C ATOM 956 CG GLU A 65 -5.045 0.793 -11.932 1.00 0.75 C ATOM 957 CD GLU A 65 -4.501 2.213 -12.029 1.00 1.58 C ATOM 958 OE1 GLU A 65 -3.686 2.467 -12.941 1.00 2.31 O ATOM 959 OE2 GLU A 65 -4.953 3.041 -11.203 1.00 3.13 O ATOM 0 H GLU A 65 -5.420 -1.995 -11.847 1.00 0.55 H new ATOM 0 HA GLU A 65 -7.195 -0.158 -13.138 1.00 0.58 H new ATOM 0 HB2 GLU A 65 -4.220 -0.533 -13.441 1.00 0.71 H new ATOM 0 HB3 GLU A 65 -5.155 0.794 -14.101 1.00 0.71 H new ATOM 0 HG2 GLU A 65 -6.042 0.824 -11.492 1.00 0.75 H new ATOM 0 HG3 GLU A 65 -4.415 0.217 -11.254 1.00 0.75 H new ATOM 966 N LYS A 66 -5.993 -2.570 -15.026 1.00 0.60 N ATOM 967 CA LYS A 66 -6.254 -3.380 -16.213 1.00 0.63 C ATOM 968 C LYS A 66 -7.737 -3.747 -16.329 1.00 0.64 C ATOM 969 O LYS A 66 -8.294 -3.728 -17.423 1.00 0.70 O ATOM 970 CB LYS A 66 -5.403 -4.642 -16.178 1.00 0.64 C ATOM 971 CG LYS A 66 -3.940 -4.308 -16.475 1.00 0.83 C ATOM 972 CD LYS A 66 -3.557 -4.494 -17.950 1.00 1.82 C ATOM 973 CE LYS A 66 -2.025 -4.476 -18.049 1.00 1.68 C ATOM 974 NZ LYS A 66 -1.527 -4.545 -19.436 1.00 3.01 N ATOM 0 H LYS A 66 -5.242 -2.946 -14.448 1.00 0.60 H new ATOM 0 HA LYS A 66 -5.989 -2.788 -17.089 1.00 0.63 H new ATOM 0 HB2 LYS A 66 -5.483 -5.115 -15.199 1.00 0.64 H new ATOM 0 HB3 LYS A 66 -5.775 -5.359 -16.910 1.00 0.64 H new ATOM 0 HG2 LYS A 66 -3.745 -3.276 -16.185 1.00 0.83 H new ATOM 0 HG3 LYS A 66 -3.299 -4.939 -15.859 1.00 0.83 H new ATOM 0 HD2 LYS A 66 -3.952 -5.436 -18.330 1.00 1.82 H new ATOM 0 HD3 LYS A 66 -3.987 -3.699 -18.559 1.00 1.82 H new ATOM 0 HE2 LYS A 66 -1.649 -3.567 -17.580 1.00 1.68 H new ATOM 0 HE3 LYS A 66 -1.622 -5.316 -17.484 1.00 1.68 H new ATOM 0 HZ1 LYS A 66 -0.487 -4.529 -19.433 1.00 3.01 H new ATOM 0 HZ2 LYS A 66 -1.858 -5.425 -19.880 1.00 3.01 H new ATOM 0 HZ3 LYS A 66 -1.884 -3.730 -19.974 1.00 3.01 H new ATOM 988 N LEU A 67 -8.374 -4.104 -15.208 1.00 0.60 N ATOM 989 CA LEU A 67 -9.805 -4.397 -15.161 1.00 0.62 C ATOM 990 C LEU A 67 -10.670 -3.182 -15.535 1.00 0.66 C ATOM 991 O LEU A 67 -11.848 -3.363 -15.836 1.00 0.77 O ATOM 992 CB LEU A 67 -10.189 -4.963 -13.780 1.00 0.57 C ATOM 993 CG LEU A 67 -10.084 -6.485 -13.559 1.00 0.58 C ATOM 994 CD1 LEU A 67 -11.478 -7.126 -13.574 1.00 1.78 C ATOM 995 CD2 LEU A 67 -9.181 -7.232 -14.545 1.00 2.22 C ATOM 0 H LEU A 67 -7.907 -4.197 -14.306 1.00 0.60 H new ATOM 0 HA LEU A 67 -10.009 -5.156 -15.917 1.00 0.62 H new ATOM 0 HB2 LEU A 67 -9.561 -4.475 -13.034 1.00 0.57 H new ATOM 0 HB3 LEU A 67 -11.218 -4.667 -13.574 1.00 0.57 H new ATOM 0 HG LEU A 67 -9.610 -6.585 -12.583 1.00 0.58 H new ATOM 0 HD11 LEU A 67 -11.386 -8.201 -13.417 1.00 1.78 H new ATOM 0 HD12 LEU A 67 -12.086 -6.694 -12.779 1.00 1.78 H new ATOM 0 HD13 LEU A 67 -11.954 -6.940 -14.537 1.00 1.78 H new ATOM 0 HD21 LEU A 67 -9.177 -8.294 -14.302 1.00 2.22 H new ATOM 0 HD22 LEU A 67 -9.556 -7.093 -15.559 1.00 2.22 H new ATOM 0 HD23 LEU A 67 -8.166 -6.840 -14.477 1.00 2.22 H new ATOM 1007 N GLY A 68 -10.113 -1.967 -15.532 1.00 0.62 N ATOM 1008 CA GLY A 68 -10.803 -0.746 -15.929 1.00 0.66 C ATOM 1009 C GLY A 68 -11.348 -0.006 -14.712 1.00 0.61 C ATOM 1010 O GLY A 68 -12.473 0.489 -14.737 1.00 0.69 O ATOM 0 H GLY A 68 -9.147 -1.807 -15.246 1.00 0.62 H new ATOM 0 HA2 GLY A 68 -10.118 -0.098 -16.476 1.00 0.66 H new ATOM 0 HA3 GLY A 68 -11.621 -0.990 -16.607 1.00 0.66 H new ATOM 1014 N TYR A 69 -10.545 0.063 -13.648 1.00 0.54 N ATOM 1015 CA TYR A 69 -10.867 0.749 -12.400 1.00 0.52 C ATOM 1016 C TYR A 69 -9.696 1.655 -12.004 1.00 0.51 C ATOM 1017 O TYR A 69 -8.691 1.701 -12.708 1.00 0.58 O ATOM 1018 CB TYR A 69 -11.186 -0.289 -11.318 1.00 0.50 C ATOM 1019 CG TYR A 69 -12.384 -1.162 -11.643 1.00 0.56 C ATOM 1020 CD1 TYR A 69 -12.235 -2.281 -12.480 1.00 1.91 C ATOM 1021 CD2 TYR A 69 -13.661 -0.813 -11.173 1.00 1.83 C ATOM 1022 CE1 TYR A 69 -13.365 -3.012 -12.891 1.00 1.93 C ATOM 1023 CE2 TYR A 69 -14.790 -1.538 -11.591 1.00 1.93 C ATOM 1024 CZ TYR A 69 -14.643 -2.631 -12.458 1.00 0.89 C ATOM 1025 OH TYR A 69 -15.737 -3.305 -12.911 1.00 1.12 O ATOM 0 H TYR A 69 -9.623 -0.372 -13.634 1.00 0.54 H new ATOM 0 HA TYR A 69 -11.748 1.379 -12.524 1.00 0.52 H new ATOM 0 HB2 TYR A 69 -10.314 -0.925 -11.169 1.00 0.50 H new ATOM 0 HB3 TYR A 69 -11.369 0.227 -10.375 1.00 0.50 H new ATOM 0 HD1 TYR A 69 -11.251 -2.581 -12.809 1.00 1.91 H new ATOM 0 HD2 TYR A 69 -13.775 0.015 -10.489 1.00 1.83 H new ATOM 0 HE1 TYR A 69 -13.248 -3.867 -13.540 1.00 1.93 H new ATOM 0 HE2 TYR A 69 -15.772 -1.253 -11.244 1.00 1.93 H new ATOM 0 HH TYR A 69 -16.539 -2.967 -12.461 1.00 1.12 H new ATOM 1035 N HIS A 70 -9.831 2.396 -10.900 1.00 0.47 N ATOM 1036 CA HIS A 70 -8.774 3.243 -10.365 1.00 0.47 C ATOM 1037 C HIS A 70 -8.820 3.193 -8.840 1.00 0.47 C ATOM 1038 O HIS A 70 -9.897 3.056 -8.254 1.00 0.54 O ATOM 1039 CB HIS A 70 -8.929 4.682 -10.879 1.00 0.56 C ATOM 1040 CG HIS A 70 -8.082 4.994 -12.093 1.00 0.82 C ATOM 1041 ND1 HIS A 70 -6.735 4.732 -12.243 1.00 1.71 N ATOM 1042 CD2 HIS A 70 -8.494 5.660 -13.215 1.00 2.00 C ATOM 1043 CE1 HIS A 70 -6.354 5.230 -13.430 1.00 1.58 C ATOM 1044 NE2 HIS A 70 -7.390 5.813 -14.059 1.00 1.78 N ATOM 0 H HIS A 70 -10.690 2.421 -10.350 1.00 0.47 H new ATOM 0 HA HIS A 70 -7.804 2.878 -10.701 1.00 0.47 H new ATOM 0 HB2 HIS A 70 -9.976 4.859 -11.124 1.00 0.56 H new ATOM 0 HB3 HIS A 70 -8.667 5.374 -10.078 1.00 0.56 H new ATOM 0 HD1 HIS A 70 -6.137 4.248 -11.573 1.00 1.71 H new ATOM 0 HD2 HIS A 70 -9.497 6.007 -13.414 1.00 2.00 H new ATOM 0 HE1 HIS A 70 -5.351 5.171 -13.826 1.00 1.58 H new ATOM 1052 N VAL A 71 -7.643 3.280 -8.216 1.00 0.50 N ATOM 1053 CA VAL A 71 -7.440 3.195 -6.779 1.00 0.50 C ATOM 1054 C VAL A 71 -7.253 4.596 -6.199 1.00 0.51 C ATOM 1055 O VAL A 71 -6.596 5.439 -6.808 1.00 0.53 O ATOM 1056 CB VAL A 71 -6.248 2.268 -6.480 1.00 0.53 C ATOM 1057 CG1 VAL A 71 -6.570 0.817 -6.855 1.00 0.58 C ATOM 1058 CG2 VAL A 71 -4.948 2.688 -7.185 1.00 0.55 C ATOM 0 H VAL A 71 -6.771 3.418 -8.727 1.00 0.50 H new ATOM 0 HA VAL A 71 -8.318 2.762 -6.298 1.00 0.50 H new ATOM 0 HB VAL A 71 -6.082 2.353 -5.406 1.00 0.53 H new ATOM 0 HG11 VAL A 71 -5.710 0.185 -6.633 1.00 0.58 H new ATOM 0 HG12 VAL A 71 -7.430 0.475 -6.280 1.00 0.58 H new ATOM 0 HG13 VAL A 71 -6.799 0.758 -7.919 1.00 0.58 H new ATOM 0 HG21 VAL A 71 -4.152 1.989 -6.928 1.00 0.55 H new ATOM 0 HG22 VAL A 71 -5.101 2.682 -8.264 1.00 0.55 H new ATOM 0 HG23 VAL A 71 -4.668 3.691 -6.864 1.00 0.55 H new ATOM 1068 N VAL A 72 -7.818 4.861 -5.016 1.00 0.54 N ATOM 1069 CA VAL A 72 -7.724 6.179 -4.398 1.00 0.61 C ATOM 1070 C VAL A 72 -6.390 6.240 -3.645 1.00 0.65 C ATOM 1071 O VAL A 72 -6.356 6.372 -2.425 1.00 0.88 O ATOM 1072 CB VAL A 72 -8.963 6.413 -3.510 1.00 0.72 C ATOM 1073 CG1 VAL A 72 -8.994 7.830 -2.911 1.00 0.86 C ATOM 1074 CG2 VAL A 72 -10.258 6.227 -4.317 1.00 0.75 C ATOM 0 H VAL A 72 -8.344 4.178 -4.471 1.00 0.54 H new ATOM 0 HA VAL A 72 -7.727 6.988 -5.129 1.00 0.61 H new ATOM 0 HB VAL A 72 -8.896 5.680 -2.706 1.00 0.72 H new ATOM 0 HG11 VAL A 72 -9.885 7.945 -2.294 1.00 0.86 H new ATOM 0 HG12 VAL A 72 -8.106 7.985 -2.298 1.00 0.86 H new ATOM 0 HG13 VAL A 72 -9.013 8.565 -3.716 1.00 0.86 H new ATOM 0 HG21 VAL A 72 -11.118 6.397 -3.669 1.00 0.75 H new ATOM 0 HG22 VAL A 72 -10.278 6.939 -5.142 1.00 0.75 H new ATOM 0 HG23 VAL A 72 -10.297 5.212 -4.713 1.00 0.75 H new ATOM 1084 N THR A 73 -5.285 6.080 -4.374 1.00 0.63 N ATOM 1085 CA THR A 73 -3.942 5.949 -3.824 1.00 0.69 C ATOM 1086 C THR A 73 -3.073 7.078 -4.368 1.00 0.74 C ATOM 1087 O THR A 73 -3.167 7.387 -5.554 1.00 0.79 O ATOM 1088 CB THR A 73 -3.376 4.568 -4.186 1.00 0.76 C ATOM 1089 OG1 THR A 73 -4.408 3.605 -4.100 1.00 0.73 O ATOM 1090 CG2 THR A 73 -2.286 4.139 -3.211 1.00 0.98 C ATOM 0 H THR A 73 -5.304 6.037 -5.393 1.00 0.63 H new ATOM 0 HA THR A 73 -3.961 6.026 -2.737 1.00 0.69 H new ATOM 0 HB THR A 73 -2.964 4.636 -5.193 1.00 0.76 H new ATOM 0 HG1 THR A 73 -4.172 2.932 -3.428 1.00 0.73 H new ATOM 0 HG21 THR A 73 -1.908 3.157 -3.497 1.00 0.98 H new ATOM 0 HG22 THR A 73 -1.471 4.863 -3.235 1.00 0.98 H new ATOM 0 HG23 THR A 73 -2.698 4.089 -2.203 1.00 0.98 H new ATOM 1098 N GLU A 74 -2.260 7.700 -3.508 1.00 0.76 N ATOM 1099 CA GLU A 74 -1.462 8.866 -3.849 1.00 0.80 C ATOM 1100 C GLU A 74 -0.022 8.639 -3.412 1.00 0.67 C ATOM 1101 O GLU A 74 0.217 8.019 -2.372 1.00 0.65 O ATOM 1102 CB GLU A 74 -2.035 10.110 -3.155 1.00 0.89 C ATOM 1103 CG GLU A 74 -3.335 10.590 -3.817 1.00 1.61 C ATOM 1104 CD GLU A 74 -3.121 11.166 -5.216 1.00 2.81 C ATOM 1105 OE1 GLU A 74 -1.941 11.356 -5.591 1.00 3.43 O ATOM 1106 OE2 GLU A 74 -4.149 11.428 -5.874 1.00 3.69 O ATOM 0 H GLU A 74 -2.141 7.397 -2.541 1.00 0.76 H new ATOM 0 HA GLU A 74 -1.489 9.022 -4.927 1.00 0.80 H new ATOM 0 HB2 GLU A 74 -2.224 9.885 -2.105 1.00 0.89 H new ATOM 0 HB3 GLU A 74 -1.297 10.912 -3.181 1.00 0.89 H new ATOM 0 HG2 GLU A 74 -4.034 9.756 -3.878 1.00 1.61 H new ATOM 0 HG3 GLU A 74 -3.798 11.348 -3.186 1.00 1.61 H new ATOM 1113 N LYS A 75 0.915 9.155 -4.215 1.00 0.65 N ATOM 1114 CA LYS A 75 2.349 9.061 -3.989 1.00 0.61 C ATOM 1115 C LYS A 75 2.851 10.342 -3.329 1.00 0.62 C ATOM 1116 O LYS A 75 3.181 11.320 -3.997 1.00 0.71 O ATOM 1117 CB LYS A 75 3.070 8.608 -5.268 1.00 0.81 C ATOM 1118 CG LYS A 75 3.280 9.677 -6.342 1.00 1.15 C ATOM 1119 CD LYS A 75 3.703 9.001 -7.654 1.00 1.43 C ATOM 1120 CE LYS A 75 4.669 9.899 -8.439 1.00 2.58 C ATOM 1121 NZ LYS A 75 5.098 9.269 -9.703 1.00 3.40 N ATOM 0 H LYS A 75 0.681 9.665 -5.067 1.00 0.65 H new ATOM 0 HA LYS A 75 2.591 8.275 -3.273 1.00 0.61 H new ATOM 0 HB2 LYS A 75 4.045 8.208 -4.988 1.00 0.81 H new ATOM 0 HB3 LYS A 75 2.503 7.788 -5.708 1.00 0.81 H new ATOM 0 HG2 LYS A 75 2.361 10.244 -6.491 1.00 1.15 H new ATOM 0 HG3 LYS A 75 4.044 10.386 -6.022 1.00 1.15 H new ATOM 0 HD2 LYS A 75 4.180 8.045 -7.439 1.00 1.43 H new ATOM 0 HD3 LYS A 75 2.822 8.788 -8.260 1.00 1.43 H new ATOM 0 HE2 LYS A 75 4.186 10.852 -8.654 1.00 2.58 H new ATOM 0 HE3 LYS A 75 5.544 10.116 -7.826 1.00 2.58 H new ATOM 0 HZ1 LYS A 75 5.749 9.906 -10.205 1.00 3.40 H new ATOM 0 HZ2 LYS A 75 5.581 8.371 -9.497 1.00 3.40 H new ATOM 0 HZ3 LYS A 75 4.266 9.085 -10.299 1.00 3.40 H new ATOM 1135 N ALA A 76 2.875 10.337 -1.997 1.00 0.59 N ATOM 1136 CA ALA A 76 3.385 11.466 -1.219 1.00 0.64 C ATOM 1137 C ALA A 76 4.883 11.280 -0.959 1.00 0.62 C ATOM 1138 O ALA A 76 5.354 10.150 -0.977 1.00 0.69 O ATOM 1139 CB ALA A 76 2.595 11.591 0.085 1.00 0.66 C ATOM 0 H ALA A 76 2.544 9.557 -1.430 1.00 0.59 H new ATOM 0 HA ALA A 76 3.256 12.392 -1.779 1.00 0.64 H new ATOM 0 HB1 ALA A 76 2.977 12.433 0.663 1.00 0.66 H new ATOM 0 HB2 ALA A 76 1.542 11.755 -0.142 1.00 0.66 H new ATOM 0 HB3 ALA A 76 2.703 10.674 0.665 1.00 0.66 H new ATOM 1145 N GLU A 77 5.629 12.365 -0.717 1.00 0.65 N ATOM 1146 CA GLU A 77 7.052 12.345 -0.385 1.00 0.62 C ATOM 1147 C GLU A 77 7.262 12.899 1.022 1.00 0.51 C ATOM 1148 O GLU A 77 7.012 14.082 1.272 1.00 0.66 O ATOM 1149 CB GLU A 77 7.835 13.175 -1.413 1.00 0.77 C ATOM 1150 CG GLU A 77 8.476 12.289 -2.488 1.00 1.37 C ATOM 1151 CD GLU A 77 9.939 11.995 -2.153 1.00 2.61 C ATOM 1152 OE1 GLU A 77 10.747 12.942 -2.272 1.00 3.33 O ATOM 1153 OE2 GLU A 77 10.241 10.853 -1.735 1.00 3.69 O ATOM 0 H GLU A 77 5.243 13.309 -0.749 1.00 0.65 H new ATOM 0 HA GLU A 77 7.417 11.318 -0.413 1.00 0.62 H new ATOM 0 HB2 GLU A 77 7.166 13.894 -1.886 1.00 0.77 H new ATOM 0 HB3 GLU A 77 8.610 13.748 -0.904 1.00 0.77 H new ATOM 0 HG2 GLU A 77 7.923 11.353 -2.571 1.00 1.37 H new ATOM 0 HG3 GLU A 77 8.413 12.784 -3.457 1.00 1.37 H new ATOM 1160 N PHE A 78 7.735 12.048 1.935 1.00 0.38 N ATOM 1161 CA PHE A 78 8.031 12.407 3.312 1.00 0.35 C ATOM 1162 C PHE A 78 9.535 12.285 3.536 1.00 0.46 C ATOM 1163 O PHE A 78 10.160 11.335 3.082 1.00 0.86 O ATOM 1164 CB PHE A 78 7.227 11.514 4.266 1.00 0.52 C ATOM 1165 CG PHE A 78 5.709 11.636 4.207 1.00 0.57 C ATOM 1166 CD1 PHE A 78 5.074 12.742 3.605 1.00 2.05 C ATOM 1167 CD2 PHE A 78 4.918 10.620 4.776 1.00 1.54 C ATOM 1168 CE1 PHE A 78 3.679 12.765 3.448 1.00 2.27 C ATOM 1169 CE2 PHE A 78 3.518 10.662 4.651 1.00 1.61 C ATOM 1170 CZ PHE A 78 2.907 11.698 3.925 1.00 1.26 C ATOM 0 H PHE A 78 7.925 11.068 1.726 1.00 0.38 H new ATOM 0 HA PHE A 78 7.738 13.437 3.515 1.00 0.35 H new ATOM 0 HB2 PHE A 78 7.492 10.476 4.064 1.00 0.52 H new ATOM 0 HB3 PHE A 78 7.546 11.732 5.285 1.00 0.52 H new ATOM 0 HD1 PHE A 78 5.666 13.578 3.262 1.00 2.05 H new ATOM 0 HD2 PHE A 78 5.387 9.807 5.310 1.00 1.54 H new ATOM 0 HE1 PHE A 78 3.203 13.603 2.961 1.00 2.27 H new ATOM 0 HE2 PHE A 78 2.912 9.897 5.114 1.00 1.61 H new ATOM 0 HZ PHE A 78 1.844 11.672 3.735 1.00 1.26 H new ATOM 1180 N ASP A 79 10.115 13.274 4.205 1.00 0.33 N ATOM 1181 CA ASP A 79 11.523 13.357 4.552 1.00 0.41 C ATOM 1182 C ASP A 79 11.741 12.583 5.853 1.00 0.48 C ATOM 1183 O ASP A 79 10.847 12.571 6.694 1.00 0.54 O ATOM 1184 CB ASP A 79 11.835 14.852 4.700 1.00 0.49 C ATOM 1185 CG ASP A 79 13.161 15.138 5.381 1.00 0.83 C ATOM 1186 OD1 ASP A 79 13.181 15.034 6.624 1.00 1.86 O ATOM 1187 OD2 ASP A 79 14.091 15.522 4.642 1.00 1.43 O ATOM 0 H ASP A 79 9.586 14.081 4.536 1.00 0.33 H new ATOM 0 HA ASP A 79 12.183 12.922 3.802 1.00 0.41 H new ATOM 0 HB2 ASP A 79 11.838 15.312 3.712 1.00 0.49 H new ATOM 0 HB3 ASP A 79 11.035 15.326 5.270 1.00 0.49 H new ATOM 1192 N ILE A 80 12.855 11.864 6.010 1.00 0.63 N ATOM 1193 CA ILE A 80 13.090 11.019 7.171 1.00 0.73 C ATOM 1194 C ILE A 80 14.323 11.506 7.922 1.00 0.77 C ATOM 1195 O ILE A 80 15.384 11.663 7.322 1.00 0.86 O ATOM 1196 CB ILE A 80 13.294 9.565 6.724 1.00 0.93 C ATOM 1197 CG1 ILE A 80 12.573 9.286 5.397 1.00 0.57 C ATOM 1198 CG2 ILE A 80 12.866 8.609 7.842 1.00 1.31 C ATOM 1199 CD1 ILE A 80 12.721 7.839 4.983 1.00 1.07 C ATOM 0 H ILE A 80 13.617 11.855 5.332 1.00 0.63 H new ATOM 0 HA ILE A 80 12.225 11.071 7.832 1.00 0.73 H new ATOM 0 HB ILE A 80 14.354 9.395 6.535 1.00 0.93 H new ATOM 0 HG12 ILE A 80 11.516 9.531 5.497 1.00 0.57 H new ATOM 0 HG13 ILE A 80 12.978 9.932 4.618 1.00 0.57 H new ATOM 0 HG21 ILE A 80 13.014 7.579 7.517 1.00 1.31 H new ATOM 0 HG22 ILE A 80 13.466 8.798 8.732 1.00 1.31 H new ATOM 0 HG23 ILE A 80 11.813 8.769 8.074 1.00 1.31 H new ATOM 0 HD11 ILE A 80 12.199 7.675 4.040 1.00 1.07 H new ATOM 0 HD12 ILE A 80 13.778 7.602 4.859 1.00 1.07 H new ATOM 0 HD13 ILE A 80 12.293 7.195 5.751 1.00 1.07 H new ATOM 1211 N GLU A 81 14.203 11.665 9.241 1.00 0.80 N ATOM 1212 CA GLU A 81 15.324 11.983 10.110 1.00 0.97 C ATOM 1213 C GLU A 81 15.525 10.774 11.017 1.00 1.21 C ATOM 1214 O GLU A 81 14.669 10.464 11.852 1.00 1.80 O ATOM 1215 CB GLU A 81 15.038 13.268 10.894 1.00 1.02 C ATOM 1216 CG GLU A 81 14.672 14.419 9.952 1.00 1.35 C ATOM 1217 CD GLU A 81 14.271 15.674 10.697 1.00 1.46 C ATOM 1218 OE1 GLU A 81 13.328 15.604 11.521 1.00 2.65 O ATOM 1219 OE2 GLU A 81 14.784 16.767 10.372 1.00 2.17 O ATOM 0 H GLU A 81 13.315 11.575 9.735 1.00 0.80 H new ATOM 0 HA GLU A 81 16.238 12.174 9.547 1.00 0.97 H new ATOM 0 HB2 GLU A 81 14.222 13.095 11.596 1.00 1.02 H new ATOM 0 HB3 GLU A 81 15.914 13.541 11.483 1.00 1.02 H new ATOM 0 HG2 GLU A 81 15.522 14.640 9.306 1.00 1.35 H new ATOM 0 HG3 GLU A 81 13.852 14.107 9.305 1.00 1.35 H new ATOM 1226 N GLY A 82 16.634 10.059 10.825 1.00 1.13 N ATOM 1227 CA GLY A 82 16.886 8.839 11.565 1.00 1.37 C ATOM 1228 C GLY A 82 18.039 8.043 10.978 1.00 1.27 C ATOM 1229 O GLY A 82 18.968 7.697 11.705 1.00 1.64 O ATOM 0 H GLY A 82 17.367 10.310 10.162 1.00 1.13 H new ATOM 0 HA2 GLY A 82 17.107 9.085 12.604 1.00 1.37 H new ATOM 0 HA3 GLY A 82 15.986 8.224 11.568 1.00 1.37 H new ATOM 1233 N MET A 83 17.969 7.720 9.681 1.00 1.05 N ATOM 1234 CA MET A 83 19.048 7.014 9.031 1.00 1.11 C ATOM 1235 C MET A 83 20.391 7.724 9.174 1.00 1.29 C ATOM 1236 O MET A 83 20.471 8.923 9.430 1.00 2.04 O ATOM 1237 CB MET A 83 18.715 6.710 7.557 1.00 1.26 C ATOM 1238 CG MET A 83 18.779 7.939 6.635 1.00 1.46 C ATOM 1239 SD MET A 83 17.289 8.959 6.534 1.00 2.51 S ATOM 1240 CE MET A 83 16.436 8.087 5.202 1.00 3.31 C ATOM 0 H MET A 83 17.178 7.940 9.076 1.00 1.05 H new ATOM 0 HA MET A 83 19.153 6.061 9.550 1.00 1.11 H new ATOM 0 HB2 MET A 83 19.408 5.955 7.187 1.00 1.26 H new ATOM 0 HB3 MET A 83 17.715 6.279 7.502 1.00 1.26 H new ATOM 0 HG2 MET A 83 19.602 8.571 6.968 1.00 1.46 H new ATOM 0 HG3 MET A 83 19.026 7.597 5.630 1.00 1.46 H new ATOM 0 HE1 MET A 83 15.714 8.756 4.733 1.00 3.31 H new ATOM 0 HE2 MET A 83 17.162 7.759 4.459 1.00 3.31 H new ATOM 0 HE3 MET A 83 15.916 7.220 5.609 1.00 3.31 H new ATOM 1285 N ALA A 87 21.443 0.787 7.422 1.00 1.14 N ATOM 1286 CA ALA A 87 20.305 0.199 6.718 1.00 0.88 C ATOM 1287 C ALA A 87 18.978 0.679 7.317 1.00 0.76 C ATOM 1288 O ALA A 87 17.973 -0.029 7.244 1.00 0.76 O ATOM 1289 CB ALA A 87 20.387 -1.339 6.767 1.00 1.47 C ATOM 0 HA ALA A 87 20.344 0.524 5.678 1.00 0.88 H new ATOM 0 HB1 ALA A 87 19.534 -1.766 6.239 1.00 1.47 H new ATOM 0 HB2 ALA A 87 21.310 -1.669 6.291 1.00 1.47 H new ATOM 0 HB3 ALA A 87 20.375 -1.671 7.805 1.00 1.47 H new ATOM 1295 N CYS A 88 18.944 1.872 7.920 1.00 0.73 N ATOM 1296 CA CYS A 88 17.772 2.323 8.652 1.00 0.68 C ATOM 1297 C CYS A 88 16.648 2.554 7.651 1.00 0.60 C ATOM 1298 O CYS A 88 15.552 2.022 7.813 1.00 0.60 O ATOM 1299 CB CYS A 88 18.094 3.615 9.398 1.00 0.75 C ATOM 1300 SG CYS A 88 19.457 3.396 10.573 1.00 0.90 S ATOM 0 H CYS A 88 19.717 2.537 7.911 1.00 0.73 H new ATOM 0 HA CYS A 88 17.468 1.574 9.384 1.00 0.68 H new ATOM 0 HB2 CYS A 88 18.355 4.393 8.681 1.00 0.75 H new ATOM 0 HB3 CYS A 88 17.207 3.957 9.931 1.00 0.75 H new ATOM 0 HG CYS A 88 19.692 4.522 11.179 1.00 0.90 H new ATOM 1306 N ALA A 89 16.954 3.298 6.579 1.00 0.59 N ATOM 1307 CA ALA A 89 15.999 3.544 5.500 1.00 0.58 C ATOM 1308 C ALA A 89 15.484 2.213 4.935 1.00 0.54 C ATOM 1309 O ALA A 89 14.318 2.075 4.584 1.00 0.52 O ATOM 1310 CB ALA A 89 16.640 4.377 4.386 1.00 0.65 C ATOM 0 H ALA A 89 17.862 3.740 6.440 1.00 0.59 H new ATOM 0 HA ALA A 89 15.158 4.105 5.908 1.00 0.58 H new ATOM 0 HB1 ALA A 89 15.911 4.548 3.594 1.00 0.65 H new ATOM 0 HB2 ALA A 89 16.967 5.335 4.790 1.00 0.65 H new ATOM 0 HB3 ALA A 89 17.499 3.842 3.980 1.00 0.65 H new ATOM 1316 N ASN A 90 16.355 1.208 4.855 1.00 0.58 N ATOM 1317 CA ASN A 90 15.993 -0.085 4.288 1.00 0.60 C ATOM 1318 C ASN A 90 15.029 -0.827 5.224 1.00 0.58 C ATOM 1319 O ASN A 90 14.032 -1.401 4.783 1.00 0.59 O ATOM 1320 CB ASN A 90 17.238 -0.927 3.974 1.00 0.72 C ATOM 1321 CG ASN A 90 18.179 -0.277 2.955 1.00 1.00 C ATOM 1322 OD1 ASN A 90 18.186 0.935 2.774 1.00 2.18 O ATOM 1323 ND2 ASN A 90 19.007 -1.079 2.292 1.00 1.21 N ATOM 0 H ASN A 90 17.321 1.268 5.178 1.00 0.58 H new ATOM 0 HA ASN A 90 15.480 0.087 3.342 1.00 0.60 H new ATOM 0 HB2 ASN A 90 17.786 -1.108 4.898 1.00 0.72 H new ATOM 0 HB3 ASN A 90 16.922 -1.899 3.596 1.00 0.72 H new ATOM 0 HD21 ASN A 90 19.665 -0.688 1.617 1.00 1.21 H new ATOM 0 HD22 ASN A 90 18.984 -2.085 2.458 1.00 1.21 H new ATOM 1330 N ARG A 91 15.313 -0.814 6.530 1.00 0.62 N ATOM 1331 CA ARG A 91 14.395 -1.339 7.537 1.00 0.66 C ATOM 1332 C ARG A 91 13.038 -0.635 7.430 1.00 0.61 C ATOM 1333 O ARG A 91 12.004 -1.293 7.296 1.00 0.61 O ATOM 1334 CB ARG A 91 14.990 -1.173 8.946 1.00 0.73 C ATOM 1335 CG ARG A 91 15.609 -2.451 9.534 1.00 0.99 C ATOM 1336 CD ARG A 91 16.707 -3.091 8.669 1.00 2.44 C ATOM 1337 NE ARG A 91 16.190 -4.217 7.872 1.00 3.43 N ATOM 1338 CZ ARG A 91 16.954 -5.152 7.282 1.00 4.76 C ATOM 1339 NH1 ARG A 91 18.283 -5.003 7.250 1.00 5.58 N ATOM 1340 NH2 ARG A 91 16.388 -6.235 6.736 1.00 5.87 N ATOM 0 H ARG A 91 16.181 -0.441 6.914 1.00 0.62 H new ATOM 0 HA ARG A 91 14.246 -2.404 7.357 1.00 0.66 H new ATOM 0 HB2 ARG A 91 15.754 -0.396 8.914 1.00 0.73 H new ATOM 0 HB3 ARG A 91 14.207 -0.822 9.618 1.00 0.73 H new ATOM 0 HG2 ARG A 91 16.027 -2.218 10.513 1.00 0.99 H new ATOM 0 HG3 ARG A 91 14.817 -3.183 9.691 1.00 0.99 H new ATOM 0 HD2 ARG A 91 17.130 -2.339 8.003 1.00 2.44 H new ATOM 0 HD3 ARG A 91 17.517 -3.441 9.310 1.00 2.44 H new ATOM 0 HE ARG A 91 15.179 -4.292 7.760 1.00 3.43 H new ATOM 0 HH11 ARG A 91 18.714 -4.181 7.673 1.00 5.58 H new ATOM 0 HH12 ARG A 91 18.865 -5.711 6.803 1.00 5.58 H new ATOM 0 HH21 ARG A 91 15.375 -6.352 6.767 1.00 5.87 H new ATOM 0 HH22 ARG A 91 16.969 -6.944 6.289 1.00 5.87 H new ATOM 1354 N ILE A 92 13.035 0.698 7.499 1.00 0.62 N ATOM 1355 CA ILE A 92 11.790 1.455 7.441 1.00 0.65 C ATOM 1356 C ILE A 92 11.074 1.246 6.101 1.00 0.57 C ATOM 1357 O ILE A 92 9.848 1.211 6.080 1.00 0.56 O ATOM 1358 CB ILE A 92 11.973 2.930 7.865 1.00 0.83 C ATOM 1359 CG1 ILE A 92 12.841 3.767 6.943 1.00 1.14 C ATOM 1360 CG2 ILE A 92 12.576 3.015 9.271 1.00 2.15 C ATOM 1361 CD1 ILE A 92 12.075 4.455 5.814 1.00 1.64 C ATOM 0 H ILE A 92 13.875 1.269 7.594 1.00 0.62 H new ATOM 0 HA ILE A 92 11.111 1.053 8.193 1.00 0.65 H new ATOM 0 HB ILE A 92 10.965 3.343 7.822 1.00 0.83 H new ATOM 0 HG12 ILE A 92 13.353 4.526 7.535 1.00 1.14 H new ATOM 0 HG13 ILE A 92 13.610 3.129 6.508 1.00 1.14 H new ATOM 0 HG21 ILE A 92 12.697 4.061 9.552 1.00 2.15 H new ATOM 0 HG22 ILE A 92 11.912 2.523 9.982 1.00 2.15 H new ATOM 0 HG23 ILE A 92 13.548 2.522 9.281 1.00 2.15 H new ATOM 0 HD11 ILE A 92 12.769 5.032 5.202 1.00 1.64 H new ATOM 0 HD12 ILE A 92 11.585 3.703 5.196 1.00 1.64 H new ATOM 0 HD13 ILE A 92 11.324 5.122 6.238 1.00 1.64 H new ATOM 1373 N GLU A 93 11.806 1.025 5.001 1.00 0.56 N ATOM 1374 CA GLU A 93 11.236 0.682 3.717 1.00 0.57 C ATOM 1375 C GLU A 93 10.437 -0.592 3.884 1.00 0.55 C ATOM 1376 O GLU A 93 9.228 -0.562 3.716 1.00 0.61 O ATOM 1377 CB GLU A 93 12.322 0.501 2.651 1.00 0.59 C ATOM 1378 CG GLU A 93 11.679 0.230 1.287 1.00 0.71 C ATOM 1379 CD GLU A 93 11.886 -1.203 0.820 1.00 1.25 C ATOM 1380 OE1 GLU A 93 13.011 -1.491 0.360 1.00 1.67 O ATOM 1381 OE2 GLU A 93 10.977 -2.060 0.966 1.00 2.49 O ATOM 0 H GLU A 93 12.824 1.083 4.991 1.00 0.56 H new ATOM 0 HA GLU A 93 10.591 1.493 3.378 1.00 0.57 H new ATOM 0 HB2 GLU A 93 12.943 1.395 2.598 1.00 0.59 H new ATOM 0 HB3 GLU A 93 12.977 -0.326 2.924 1.00 0.59 H new ATOM 0 HG2 GLU A 93 10.611 0.439 1.344 1.00 0.71 H new ATOM 0 HG3 GLU A 93 12.099 0.914 0.549 1.00 0.71 H new ATOM 1388 N LYS A 94 11.092 -1.694 4.268 1.00 0.52 N ATOM 1389 CA LYS A 94 10.423 -2.986 4.375 1.00 0.53 C ATOM 1390 C LYS A 94 9.179 -2.921 5.271 1.00 0.52 C ATOM 1391 O LYS A 94 8.258 -3.724 5.102 1.00 0.58 O ATOM 1392 CB LYS A 94 11.399 -4.078 4.843 1.00 0.57 C ATOM 1393 CG LYS A 94 12.058 -4.802 3.659 1.00 0.82 C ATOM 1394 CD LYS A 94 13.190 -3.999 3.003 1.00 1.20 C ATOM 1395 CE LYS A 94 13.528 -4.602 1.631 1.00 1.81 C ATOM 1396 NZ LYS A 94 12.701 -4.013 0.557 1.00 3.13 N ATOM 0 H LYS A 94 12.083 -1.712 4.508 1.00 0.52 H new ATOM 0 HA LYS A 94 10.077 -3.253 3.377 1.00 0.53 H new ATOM 0 HB2 LYS A 94 12.170 -3.631 5.470 1.00 0.57 H new ATOM 0 HB3 LYS A 94 10.866 -4.801 5.460 1.00 0.57 H new ATOM 0 HG2 LYS A 94 12.453 -5.758 4.002 1.00 0.82 H new ATOM 0 HG3 LYS A 94 11.298 -5.022 2.909 1.00 0.82 H new ATOM 0 HD2 LYS A 94 12.890 -2.957 2.889 1.00 1.20 H new ATOM 0 HD3 LYS A 94 14.073 -4.009 3.642 1.00 1.20 H new ATOM 0 HE2 LYS A 94 14.583 -4.437 1.411 1.00 1.81 H new ATOM 0 HE3 LYS A 94 13.374 -5.681 1.659 1.00 1.81 H new ATOM 0 HZ1 LYS A 94 12.502 -4.736 -0.164 1.00 3.13 H new ATOM 0 HZ2 LYS A 94 11.806 -3.668 0.958 1.00 3.13 H new ATOM 0 HZ3 LYS A 94 13.213 -3.220 0.120 1.00 3.13 H new ATOM 1410 N ARG A 95 9.148 -1.977 6.216 1.00 0.48 N ATOM 1411 CA ARG A 95 7.920 -1.677 6.943 1.00 0.44 C ATOM 1412 C ARG A 95 6.911 -0.946 6.049 1.00 0.38 C ATOM 1413 O ARG A 95 5.885 -1.522 5.676 1.00 0.40 O ATOM 1414 CB ARG A 95 8.264 -0.897 8.213 1.00 0.48 C ATOM 1415 CG ARG A 95 8.827 -1.862 9.263 1.00 0.78 C ATOM 1416 CD ARG A 95 7.709 -2.547 10.071 1.00 1.13 C ATOM 1417 NE ARG A 95 7.657 -3.998 9.834 1.00 1.81 N ATOM 1418 CZ ARG A 95 8.482 -4.895 10.397 1.00 2.06 C ATOM 1419 NH1 ARG A 95 9.498 -4.474 11.160 1.00 2.85 N ATOM 1420 NH2 ARG A 95 8.289 -6.202 10.195 1.00 3.05 N ATOM 0 H ARG A 95 9.953 -1.414 6.491 1.00 0.48 H new ATOM 0 HA ARG A 95 7.434 -2.606 7.242 1.00 0.44 H new ATOM 0 HB2 ARG A 95 8.994 -0.119 7.989 1.00 0.48 H new ATOM 0 HB3 ARG A 95 7.375 -0.399 8.600 1.00 0.48 H new ATOM 0 HG2 ARG A 95 9.435 -2.620 8.770 1.00 0.78 H new ATOM 0 HG3 ARG A 95 9.484 -1.318 9.941 1.00 0.78 H new ATOM 0 HD2 ARG A 95 7.865 -2.360 11.133 1.00 1.13 H new ATOM 0 HD3 ARG A 95 6.749 -2.103 9.807 1.00 1.13 H new ATOM 0 HE ARG A 95 6.942 -4.348 9.196 1.00 1.81 H new ATOM 0 HH11 ARG A 95 9.643 -3.476 11.311 1.00 2.85 H new ATOM 0 HH12 ARG A 95 10.128 -5.151 11.590 1.00 2.85 H new ATOM 0 HH21 ARG A 95 7.514 -6.519 9.612 1.00 3.05 H new ATOM 0 HH22 ARG A 95 8.917 -6.882 10.623 1.00 3.05 H new ATOM 1434 N LEU A 96 7.199 0.317 5.714 1.00 0.34 N ATOM 1435 CA LEU A 96 6.302 1.199 4.971 1.00 0.35 C ATOM 1436 C LEU A 96 5.738 0.525 3.719 1.00 0.35 C ATOM 1437 O LEU A 96 4.558 0.690 3.426 1.00 0.37 O ATOM 1438 CB LEU A 96 6.971 2.545 4.675 1.00 0.39 C ATOM 1439 CG LEU A 96 7.284 3.381 5.936 1.00 0.51 C ATOM 1440 CD1 LEU A 96 7.531 4.822 5.493 1.00 0.91 C ATOM 1441 CD2 LEU A 96 6.167 3.386 6.985 1.00 1.73 C ATOM 0 H LEU A 96 8.084 0.761 5.959 1.00 0.34 H new ATOM 0 HA LEU A 96 5.441 1.408 5.606 1.00 0.35 H new ATOM 0 HB2 LEU A 96 7.898 2.366 4.130 1.00 0.39 H new ATOM 0 HB3 LEU A 96 6.322 3.125 4.019 1.00 0.39 H new ATOM 0 HG LEU A 96 8.152 2.924 6.411 1.00 0.51 H new ATOM 0 HD11 LEU A 96 7.755 5.437 6.364 1.00 0.91 H new ATOM 0 HD12 LEU A 96 8.374 4.851 4.802 1.00 0.91 H new ATOM 0 HD13 LEU A 96 6.641 5.207 4.996 1.00 0.91 H new ATOM 0 HD21 LEU A 96 6.470 3.996 7.836 1.00 1.73 H new ATOM 0 HD22 LEU A 96 5.258 3.799 6.547 1.00 1.73 H new ATOM 0 HD23 LEU A 96 5.977 2.366 7.319 1.00 1.73 H new ATOM 1453 N ASN A 97 6.567 -0.280 3.045 1.00 0.39 N ATOM 1454 CA ASN A 97 6.270 -1.163 1.918 1.00 0.48 C ATOM 1455 C ASN A 97 4.832 -1.688 1.943 1.00 0.51 C ATOM 1456 O ASN A 97 4.173 -1.722 0.907 1.00 0.57 O ATOM 1457 CB ASN A 97 7.274 -2.331 1.937 1.00 0.63 C ATOM 1458 CG ASN A 97 7.407 -3.050 0.601 1.00 0.80 C ATOM 1459 OD1 ASN A 97 6.473 -3.700 0.146 1.00 1.25 O ATOM 1460 ND2 ASN A 97 8.588 -2.982 -0.015 1.00 1.15 N ATOM 0 H ASN A 97 7.553 -0.333 3.301 1.00 0.39 H new ATOM 0 HA ASN A 97 6.367 -0.590 0.996 1.00 0.48 H new ATOM 0 HB2 ASN A 97 8.252 -1.952 2.234 1.00 0.63 H new ATOM 0 HB3 ASN A 97 6.966 -3.050 2.697 1.00 0.63 H new ATOM 0 HD21 ASN A 97 8.735 -3.480 -0.893 1.00 1.15 H new ATOM 0 HD22 ASN A 97 9.344 -2.431 0.392 1.00 1.15 H new ATOM 1467 N LYS A 98 4.348 -2.093 3.124 1.00 0.50 N ATOM 1468 CA LYS A 98 2.966 -2.514 3.319 1.00 0.55 C ATOM 1469 C LYS A 98 2.606 -2.463 4.805 1.00 0.58 C ATOM 1470 O LYS A 98 2.476 -3.500 5.446 1.00 0.70 O ATOM 1471 CB LYS A 98 2.692 -3.881 2.659 1.00 0.63 C ATOM 1472 CG LYS A 98 3.765 -4.953 2.956 1.00 0.77 C ATOM 1473 CD LYS A 98 3.339 -5.961 4.041 1.00 2.13 C ATOM 1474 CE LYS A 98 4.299 -5.981 5.240 1.00 3.18 C ATOM 1475 NZ LYS A 98 5.648 -6.452 4.869 1.00 3.89 N ATOM 0 H LYS A 98 4.912 -2.136 3.973 1.00 0.50 H new ATOM 0 HA LYS A 98 2.302 -1.814 2.811 1.00 0.55 H new ATOM 0 HB2 LYS A 98 1.724 -4.248 2.998 1.00 0.63 H new ATOM 0 HB3 LYS A 98 2.621 -3.743 1.580 1.00 0.63 H new ATOM 0 HG2 LYS A 98 3.992 -5.494 2.037 1.00 0.77 H new ATOM 0 HG3 LYS A 98 4.684 -4.459 3.270 1.00 0.77 H new ATOM 0 HD2 LYS A 98 2.336 -5.713 4.388 1.00 2.13 H new ATOM 0 HD3 LYS A 98 3.288 -6.959 3.605 1.00 2.13 H new ATOM 0 HE2 LYS A 98 4.370 -4.979 5.663 1.00 3.18 H new ATOM 0 HE3 LYS A 98 3.892 -6.627 6.018 1.00 3.18 H new ATOM 0 HZ1 LYS A 98 6.204 -6.627 5.730 1.00 3.89 H new ATOM 0 HZ2 LYS A 98 5.570 -7.334 4.323 1.00 3.89 H new ATOM 0 HZ3 LYS A 98 6.122 -5.728 4.292 1.00 3.89 H new ATOM 1489 N ILE A 99 2.443 -1.259 5.361 1.00 0.55 N ATOM 1490 CA ILE A 99 1.883 -1.108 6.705 1.00 0.62 C ATOM 1491 C ILE A 99 0.440 -1.614 6.688 1.00 0.73 C ATOM 1492 O ILE A 99 0.152 -2.659 7.264 1.00 1.10 O ATOM 1493 CB ILE A 99 2.022 0.349 7.188 1.00 0.63 C ATOM 1494 CG1 ILE A 99 3.496 0.672 7.481 1.00 0.63 C ATOM 1495 CG2 ILE A 99 1.154 0.663 8.415 1.00 0.78 C ATOM 1496 CD1 ILE A 99 4.039 0.127 8.807 1.00 1.37 C ATOM 0 H ILE A 99 2.689 -0.381 4.904 1.00 0.55 H new ATOM 0 HA ILE A 99 2.436 -1.708 7.428 1.00 0.62 H new ATOM 0 HB ILE A 99 1.659 0.984 6.379 1.00 0.63 H new ATOM 0 HG12 ILE A 99 4.105 0.276 6.669 1.00 0.63 H new ATOM 0 HG13 ILE A 99 3.621 1.755 7.475 1.00 0.63 H new ATOM 0 HG21 ILE A 99 1.297 1.704 8.705 1.00 0.78 H new ATOM 0 HG22 ILE A 99 0.105 0.495 8.171 1.00 0.78 H new ATOM 0 HG23 ILE A 99 1.443 0.013 9.241 1.00 0.78 H new ATOM 0 HD11 ILE A 99 5.086 0.411 8.916 1.00 1.37 H new ATOM 0 HD12 ILE A 99 3.463 0.542 9.634 1.00 1.37 H new ATOM 0 HD13 ILE A 99 3.955 -0.960 8.815 1.00 1.37 H new ATOM 1508 N GLU A 100 -0.431 -0.884 5.988 1.00 0.65 N ATOM 1509 CA GLU A 100 -1.798 -1.280 5.691 1.00 0.74 C ATOM 1510 C GLU A 100 -2.045 -0.936 4.224 1.00 0.75 C ATOM 1511 O GLU A 100 -1.460 -1.575 3.348 1.00 1.04 O ATOM 1512 CB GLU A 100 -2.775 -0.593 6.662 1.00 0.84 C ATOM 1513 CG GLU A 100 -2.901 -1.344 7.994 1.00 0.91 C ATOM 1514 CD GLU A 100 -3.722 -2.630 7.882 1.00 2.29 C ATOM 1515 OE1 GLU A 100 -4.040 -3.030 6.737 1.00 3.61 O ATOM 1516 OE2 GLU A 100 -4.022 -3.191 8.958 1.00 2.78 O ATOM 0 H GLU A 100 -0.190 0.029 5.602 1.00 0.65 H new ATOM 0 HA GLU A 100 -1.961 -2.348 5.833 1.00 0.74 H new ATOM 0 HB2 GLU A 100 -2.437 0.426 6.853 1.00 0.84 H new ATOM 0 HB3 GLU A 100 -3.757 -0.521 6.194 1.00 0.84 H new ATOM 0 HG2 GLU A 100 -1.905 -1.587 8.363 1.00 0.91 H new ATOM 0 HG3 GLU A 100 -3.363 -0.688 8.732 1.00 0.91 H new ATOM 1523 N GLY A 101 -2.830 0.105 3.929 1.00 0.72 N ATOM 1524 CA GLY A 101 -3.211 0.464 2.573 1.00 0.74 C ATOM 1525 C GLY A 101 -2.131 1.236 1.835 1.00 0.69 C ATOM 1526 O GLY A 101 -2.391 2.312 1.295 1.00 0.80 O ATOM 0 H GLY A 101 -3.220 0.725 4.639 1.00 0.72 H new ATOM 0 HA2 GLY A 101 -3.446 -0.443 2.016 1.00 0.74 H new ATOM 0 HA3 GLY A 101 -4.121 1.064 2.604 1.00 0.74 H new ATOM 1530 N VAL A 102 -0.930 0.660 1.795 1.00 0.61 N ATOM 1531 CA VAL A 102 0.223 1.175 1.080 1.00 0.57 C ATOM 1532 C VAL A 102 0.457 0.302 -0.148 1.00 0.57 C ATOM 1533 O VAL A 102 0.736 -0.889 -0.021 1.00 0.58 O ATOM 1534 CB VAL A 102 1.451 1.229 1.999 1.00 0.50 C ATOM 1535 CG1 VAL A 102 2.588 1.945 1.265 1.00 0.50 C ATOM 1536 CG2 VAL A 102 1.145 1.940 3.324 1.00 0.51 C ATOM 0 H VAL A 102 -0.732 -0.214 2.282 1.00 0.61 H new ATOM 0 HA VAL A 102 0.041 2.198 0.752 1.00 0.57 H new ATOM 0 HB VAL A 102 1.744 0.208 2.244 1.00 0.50 H new ATOM 0 HG11 VAL A 102 3.466 1.989 1.909 1.00 0.50 H new ATOM 0 HG12 VAL A 102 2.833 1.399 0.354 1.00 0.50 H new ATOM 0 HG13 VAL A 102 2.275 2.957 1.009 1.00 0.50 H new ATOM 0 HG21 VAL A 102 2.041 1.956 3.944 1.00 0.51 H new ATOM 0 HG22 VAL A 102 0.825 2.962 3.123 1.00 0.51 H new ATOM 0 HG23 VAL A 102 0.351 1.408 3.848 1.00 0.51 H new ATOM 1546 N ALA A 103 0.337 0.894 -1.336 1.00 0.59 N ATOM 1547 CA ALA A 103 0.629 0.219 -2.585 1.00 0.61 C ATOM 1548 C ALA A 103 2.134 0.003 -2.702 1.00 0.59 C ATOM 1549 O ALA A 103 2.561 -1.111 -2.998 1.00 0.62 O ATOM 1550 CB ALA A 103 0.101 1.036 -3.763 1.00 0.66 C ATOM 0 H ALA A 103 0.032 1.861 -1.452 1.00 0.59 H new ATOM 0 HA ALA A 103 0.132 -0.751 -2.601 1.00 0.61 H new ATOM 0 HB1 ALA A 103 0.327 0.518 -4.695 1.00 0.66 H new ATOM 0 HB2 ALA A 103 -0.978 1.157 -3.667 1.00 0.66 H new ATOM 0 HB3 ALA A 103 0.577 2.017 -3.768 1.00 0.66 H new ATOM 1556 N ASN A 104 2.929 1.054 -2.467 1.00 0.57 N ATOM 1557 CA ASN A 104 4.387 1.005 -2.552 1.00 0.55 C ATOM 1558 C ASN A 104 4.980 2.039 -1.601 1.00 0.49 C ATOM 1559 O ASN A 104 4.272 2.915 -1.107 1.00 0.49 O ATOM 1560 CB ASN A 104 4.883 1.288 -3.981 1.00 0.62 C ATOM 1561 CG ASN A 104 4.510 0.204 -4.985 1.00 0.73 C ATOM 1562 OD1 ASN A 104 5.049 -0.899 -4.944 1.00 0.80 O ATOM 1563 ND2 ASN A 104 3.620 0.513 -5.918 1.00 0.86 N ATOM 0 H ASN A 104 2.569 1.973 -2.209 1.00 0.57 H new ATOM 0 HA ASN A 104 4.708 0.001 -2.275 1.00 0.55 H new ATOM 0 HB2 ASN A 104 4.471 2.239 -4.317 1.00 0.62 H new ATOM 0 HB3 ASN A 104 5.967 1.398 -3.965 1.00 0.62 H new ATOM 0 HD21 ASN A 104 3.366 -0.174 -6.628 1.00 0.86 H new ATOM 0 HD22 ASN A 104 3.189 1.438 -5.926 1.00 0.86 H new ATOM 1570 N ALA A 105 6.293 1.955 -1.360 1.00 0.46 N ATOM 1571 CA ALA A 105 6.990 2.893 -0.483 1.00 0.43 C ATOM 1572 C ALA A 105 8.510 2.939 -0.720 1.00 0.45 C ATOM 1573 O ALA A 105 9.270 2.586 0.181 1.00 0.47 O ATOM 1574 CB ALA A 105 6.685 2.570 0.984 1.00 0.47 C ATOM 0 H ALA A 105 6.896 1.239 -1.766 1.00 0.46 H new ATOM 0 HA ALA A 105 6.614 3.886 -0.728 1.00 0.43 H new ATOM 0 HB1 ALA A 105 7.210 3.275 1.629 1.00 0.47 H new ATOM 0 HB2 ALA A 105 5.612 2.648 1.158 1.00 0.47 H new ATOM 0 HB3 ALA A 105 7.016 1.556 1.210 1.00 0.47 H new ATOM 1580 N PRO A 106 8.993 3.338 -1.909 1.00 0.49 N ATOM 1581 CA PRO A 106 10.423 3.366 -2.186 1.00 0.56 C ATOM 1582 C PRO A 106 11.127 4.488 -1.405 1.00 0.54 C ATOM 1583 O PRO A 106 10.604 5.599 -1.291 1.00 0.51 O ATOM 1584 CB PRO A 106 10.541 3.540 -3.704 1.00 0.64 C ATOM 1585 CG PRO A 106 9.248 4.256 -4.088 1.00 0.61 C ATOM 1586 CD PRO A 106 8.225 3.735 -3.077 1.00 0.53 C ATOM 0 HA PRO A 106 10.919 2.451 -1.861 1.00 0.56 H new ATOM 0 HB2 PRO A 106 11.419 4.127 -3.973 1.00 0.64 H new ATOM 0 HB3 PRO A 106 10.633 2.580 -4.211 1.00 0.64 H new ATOM 0 HG2 PRO A 106 9.357 5.339 -4.025 1.00 0.61 H new ATOM 0 HG3 PRO A 106 8.952 4.025 -5.111 1.00 0.61 H new ATOM 0 HD2 PRO A 106 7.497 4.506 -2.824 1.00 0.53 H new ATOM 0 HD3 PRO A 106 7.667 2.892 -3.484 1.00 0.53 H new ATOM 1594 N VAL A 107 12.316 4.180 -0.869 1.00 0.58 N ATOM 1595 CA VAL A 107 13.150 5.096 -0.097 1.00 0.58 C ATOM 1596 C VAL A 107 14.318 5.612 -0.939 1.00 0.65 C ATOM 1597 O VAL A 107 14.826 4.894 -1.801 1.00 0.70 O ATOM 1598 CB VAL A 107 13.643 4.434 1.204 1.00 0.63 C ATOM 1599 CG1 VAL A 107 12.456 4.009 2.071 1.00 1.61 C ATOM 1600 CG2 VAL A 107 14.571 3.232 0.968 1.00 1.72 C ATOM 0 H VAL A 107 12.733 3.254 -0.967 1.00 0.58 H new ATOM 0 HA VAL A 107 12.539 5.954 0.183 1.00 0.58 H new ATOM 0 HB VAL A 107 14.233 5.190 1.722 1.00 0.63 H new ATOM 0 HG11 VAL A 107 12.822 3.543 2.986 1.00 1.61 H new ATOM 0 HG12 VAL A 107 11.858 4.885 2.324 1.00 1.61 H new ATOM 0 HG13 VAL A 107 11.841 3.296 1.522 1.00 1.61 H new ATOM 0 HG21 VAL A 107 14.879 2.816 1.927 1.00 1.72 H new ATOM 0 HG22 VAL A 107 14.041 2.470 0.396 1.00 1.72 H new ATOM 0 HG23 VAL A 107 15.452 3.556 0.413 1.00 1.72 H new ATOM 1610 N ASN A 108 14.760 6.844 -0.672 1.00 0.72 N ATOM 1611 CA ASN A 108 15.828 7.519 -1.386 1.00 0.78 C ATOM 1612 C ASN A 108 16.997 7.773 -0.448 1.00 0.86 C ATOM 1613 O ASN A 108 16.839 8.415 0.588 1.00 1.82 O ATOM 1614 CB ASN A 108 15.343 8.876 -1.881 1.00 0.77 C ATOM 1615 CG ASN A 108 14.377 8.760 -3.057 1.00 0.94 C ATOM 1616 OD1 ASN A 108 13.399 8.025 -3.012 1.00 1.44 O ATOM 1617 ND2 ASN A 108 14.665 9.460 -4.151 1.00 1.31 N ATOM 0 H ASN A 108 14.364 7.413 0.076 1.00 0.72 H new ATOM 0 HA ASN A 108 16.132 6.888 -2.221 1.00 0.78 H new ATOM 0 HB2 ASN A 108 14.852 9.403 -1.063 1.00 0.77 H new ATOM 0 HB3 ASN A 108 16.201 9.478 -2.179 1.00 0.77 H new ATOM 0 HD21 ASN A 108 14.066 9.390 -4.974 1.00 1.31 H new ATOM 0 HD22 ASN A 108 15.485 10.067 -4.167 1.00 1.31 H new ATOM 1624 N PHE A 109 18.189 7.343 -0.862 1.00 0.84 N ATOM 1625 CA PHE A 109 19.413 7.500 -0.088 1.00 0.81 C ATOM 1626 C PHE A 109 20.129 8.825 -0.365 1.00 0.89 C ATOM 1627 O PHE A 109 21.064 9.176 0.348 1.00 1.32 O ATOM 1628 CB PHE A 109 20.337 6.306 -0.361 1.00 0.82 C ATOM 1629 CG PHE A 109 20.748 5.596 0.902 1.00 0.98 C ATOM 1630 CD1 PHE A 109 19.769 4.915 1.641 1.00 1.93 C ATOM 1631 CD2 PHE A 109 22.049 5.741 1.415 1.00 2.32 C ATOM 1632 CE1 PHE A 109 20.091 4.375 2.892 1.00 2.09 C ATOM 1633 CE2 PHE A 109 22.380 5.165 2.651 1.00 2.48 C ATOM 1634 CZ PHE A 109 21.398 4.485 3.394 1.00 1.53 C ATOM 0 H PHE A 109 18.330 6.871 -1.755 1.00 0.84 H new ATOM 0 HA PHE A 109 19.141 7.525 0.967 1.00 0.81 H new ATOM 0 HB2 PHE A 109 19.831 5.602 -1.022 1.00 0.82 H new ATOM 0 HB3 PHE A 109 21.227 6.652 -0.886 1.00 0.82 H new ATOM 0 HD1 PHE A 109 18.770 4.808 1.246 1.00 1.93 H new ATOM 0 HD2 PHE A 109 22.792 6.294 0.859 1.00 2.32 H new ATOM 0 HE1 PHE A 109 19.332 3.872 3.473 1.00 2.09 H new ATOM 0 HE2 PHE A 109 23.388 5.244 3.031 1.00 2.48 H new ATOM 0 HZ PHE A 109 21.649 4.048 4.349 1.00 1.53 H new ATOM 1644 N ALA A 110 19.722 9.545 -1.415 1.00 0.68 N ATOM 1645 CA ALA A 110 20.331 10.817 -1.787 1.00 0.83 C ATOM 1646 C ALA A 110 19.618 11.963 -1.079 1.00 0.92 C ATOM 1647 O ALA A 110 20.241 12.937 -0.670 1.00 1.14 O ATOM 1648 CB ALA A 110 20.255 10.993 -3.306 1.00 0.94 C ATOM 0 H ALA A 110 18.960 9.258 -2.029 1.00 0.68 H new ATOM 0 HA ALA A 110 21.377 10.823 -1.482 1.00 0.83 H new ATOM 0 HB1 ALA A 110 20.710 11.943 -3.585 1.00 0.94 H new ATOM 0 HB2 ALA A 110 20.789 10.178 -3.794 1.00 0.94 H new ATOM 0 HB3 ALA A 110 19.212 10.983 -3.622 1.00 0.94 H new ATOM 1654 N LEU A 111 18.290 11.851 -0.987 1.00 0.89 N ATOM 1655 CA LEU A 111 17.417 12.903 -0.492 1.00 0.99 C ATOM 1656 C LEU A 111 17.029 12.674 0.970 1.00 0.87 C ATOM 1657 O LEU A 111 16.453 13.574 1.578 1.00 0.89 O ATOM 1658 CB LEU A 111 16.145 12.953 -1.354 1.00 1.18 C ATOM 1659 CG LEU A 111 16.365 12.884 -2.871 1.00 1.10 C ATOM 1660 CD1 LEU A 111 15.009 13.048 -3.567 1.00 1.31 C ATOM 1661 CD2 LEU A 111 17.331 13.965 -3.372 1.00 1.16 C ATOM 0 H LEU A 111 17.788 11.007 -1.262 1.00 0.89 H new ATOM 0 HA LEU A 111 17.957 13.848 -0.553 1.00 0.99 H new ATOM 0 HB2 LEU A 111 15.498 12.126 -1.062 1.00 1.18 H new ATOM 0 HB3 LEU A 111 15.609 13.874 -1.125 1.00 1.18 H new ATOM 0 HG LEU A 111 16.814 11.919 -3.105 1.00 1.10 H new ATOM 0 HD11 LEU A 111 15.147 13.001 -4.647 1.00 1.31 H new ATOM 0 HD12 LEU A 111 14.339 12.248 -3.252 1.00 1.31 H new ATOM 0 HD13 LEU A 111 14.576 14.011 -3.298 1.00 1.31 H new ATOM 0 HD21 LEU A 111 17.452 13.873 -4.451 1.00 1.16 H new ATOM 0 HD22 LEU A 111 16.929 14.950 -3.135 1.00 1.16 H new ATOM 0 HD23 LEU A 111 18.299 13.842 -2.886 1.00 1.16 H new ATOM 1673 N GLU A 112 17.264 11.466 1.498 1.00 0.82 N ATOM 1674 CA GLU A 112 16.736 11.013 2.780 1.00 0.79 C ATOM 1675 C GLU A 112 15.216 11.199 2.832 1.00 0.64 C ATOM 1676 O GLU A 112 14.668 11.686 3.818 1.00 0.68 O ATOM 1677 CB GLU A 112 17.496 11.661 3.948 1.00 0.96 C ATOM 1678 CG GLU A 112 18.927 11.109 4.009 1.00 1.27 C ATOM 1679 CD GLU A 112 19.745 11.746 5.126 1.00 2.08 C ATOM 1680 OE1 GLU A 112 20.009 12.963 5.012 1.00 2.18 O ATOM 1681 OE2 GLU A 112 20.113 11.000 6.059 1.00 3.61 O ATOM 0 H GLU A 112 17.840 10.765 1.031 1.00 0.82 H new ATOM 0 HA GLU A 112 16.906 9.942 2.887 1.00 0.79 H new ATOM 0 HB2 GLU A 112 17.519 12.743 3.822 1.00 0.96 H new ATOM 0 HB3 GLU A 112 16.979 11.460 4.886 1.00 0.96 H new ATOM 0 HG2 GLU A 112 18.892 10.030 4.157 1.00 1.27 H new ATOM 0 HG3 GLU A 112 19.422 11.283 3.054 1.00 1.27 H new ATOM 1688 N THR A 113 14.531 10.760 1.769 1.00 0.54 N ATOM 1689 CA THR A 113 13.077 10.732 1.706 1.00 0.56 C ATOM 1690 C THR A 113 12.591 9.299 1.586 1.00 0.63 C ATOM 1691 O THR A 113 13.337 8.402 1.193 1.00 0.72 O ATOM 1692 CB THR A 113 12.520 11.586 0.552 1.00 0.72 C ATOM 1693 OG1 THR A 113 12.776 11.014 -0.715 1.00 0.90 O ATOM 1694 CG2 THR A 113 13.095 12.997 0.592 1.00 0.80 C ATOM 0 H THR A 113 14.982 10.412 0.923 1.00 0.54 H new ATOM 0 HA THR A 113 12.703 11.169 2.632 1.00 0.56 H new ATOM 0 HB THR A 113 11.440 11.625 0.694 1.00 0.72 H new ATOM 0 HG1 THR A 113 11.928 10.765 -1.139 1.00 0.90 H new ATOM 0 HG21 THR A 113 12.686 13.580 -0.233 1.00 0.80 H new ATOM 0 HG22 THR A 113 12.831 13.471 1.537 1.00 0.80 H new ATOM 0 HG23 THR A 113 14.180 12.950 0.501 1.00 0.80 H new ATOM 1702 N VAL A 114 11.316 9.111 1.908 1.00 0.65 N ATOM 1703 CA VAL A 114 10.520 8.005 1.425 1.00 0.56 C ATOM 1704 C VAL A 114 9.370 8.583 0.616 1.00 0.42 C ATOM 1705 O VAL A 114 8.649 9.462 1.095 1.00 0.38 O ATOM 1706 CB VAL A 114 10.054 7.094 2.573 1.00 0.60 C ATOM 1707 CG1 VAL A 114 9.236 7.820 3.648 1.00 0.70 C ATOM 1708 CG2 VAL A 114 9.260 5.901 2.025 1.00 0.53 C ATOM 0 H VAL A 114 10.803 9.740 2.525 1.00 0.65 H new ATOM 0 HA VAL A 114 11.116 7.357 0.782 1.00 0.56 H new ATOM 0 HB VAL A 114 10.963 6.744 3.062 1.00 0.60 H new ATOM 0 HG11 VAL A 114 8.944 7.112 4.423 1.00 0.70 H new ATOM 0 HG12 VAL A 114 9.839 8.613 4.090 1.00 0.70 H new ATOM 0 HG13 VAL A 114 8.343 8.252 3.196 1.00 0.70 H new ATOM 0 HG21 VAL A 114 8.938 5.267 2.852 1.00 0.53 H new ATOM 0 HG22 VAL A 114 8.386 6.263 1.484 1.00 0.53 H new ATOM 0 HG23 VAL A 114 9.891 5.323 1.349 1.00 0.53 H new ATOM 1718 N THR A 115 9.178 8.051 -0.589 1.00 0.45 N ATOM 1719 CA THR A 115 7.936 8.248 -1.296 1.00 0.46 C ATOM 1720 C THR A 115 6.999 7.189 -0.729 1.00 0.44 C ATOM 1721 O THR A 115 7.338 6.012 -0.781 1.00 0.62 O ATOM 1722 CB THR A 115 8.165 8.062 -2.796 1.00 0.59 C ATOM 1723 OG1 THR A 115 9.114 8.990 -3.285 1.00 0.60 O ATOM 1724 CG2 THR A 115 6.864 8.222 -3.589 1.00 0.71 C ATOM 0 H THR A 115 9.867 7.486 -1.085 1.00 0.45 H new ATOM 0 HA THR A 115 7.521 9.248 -1.171 1.00 0.46 H new ATOM 0 HB THR A 115 8.542 7.048 -2.931 1.00 0.59 H new ATOM 0 HG1 THR A 115 9.326 9.641 -2.584 1.00 0.60 H new ATOM 0 HG21 THR A 115 7.066 8.083 -4.651 1.00 0.71 H new ATOM 0 HG22 THR A 115 6.141 7.477 -3.257 1.00 0.71 H new ATOM 0 HG23 THR A 115 6.458 9.220 -3.424 1.00 0.71 H new ATOM 1732 N VAL A 116 5.864 7.583 -0.155 1.00 0.40 N ATOM 1733 CA VAL A 116 4.853 6.685 0.375 1.00 0.37 C ATOM 1734 C VAL A 116 3.676 6.716 -0.600 1.00 0.42 C ATOM 1735 O VAL A 116 3.090 7.774 -0.829 1.00 0.47 O ATOM 1736 CB VAL A 116 4.493 7.081 1.820 1.00 0.39 C ATOM 1737 CG1 VAL A 116 3.836 8.458 1.949 1.00 0.50 C ATOM 1738 CG2 VAL A 116 3.592 6.024 2.465 1.00 0.52 C ATOM 0 H VAL A 116 5.620 8.567 -0.045 1.00 0.40 H new ATOM 0 HA VAL A 116 5.206 5.656 0.450 1.00 0.37 H new ATOM 0 HB VAL A 116 5.446 7.139 2.346 1.00 0.39 H new ATOM 0 HG11 VAL A 116 3.615 8.659 2.997 1.00 0.50 H new ATOM 0 HG12 VAL A 116 4.514 9.222 1.568 1.00 0.50 H new ATOM 0 HG13 VAL A 116 2.911 8.475 1.373 1.00 0.50 H new ATOM 0 HG21 VAL A 116 3.351 6.325 3.485 1.00 0.52 H new ATOM 0 HG22 VAL A 116 2.672 5.928 1.888 1.00 0.52 H new ATOM 0 HG23 VAL A 116 4.111 5.065 2.483 1.00 0.52 H new ATOM 1748 N GLU A 117 3.376 5.576 -1.223 1.00 0.49 N ATOM 1749 CA GLU A 117 2.350 5.455 -2.240 1.00 0.61 C ATOM 1750 C GLU A 117 1.205 4.683 -1.599 1.00 0.64 C ATOM 1751 O GLU A 117 1.243 3.452 -1.534 1.00 0.62 O ATOM 1752 CB GLU A 117 2.966 4.744 -3.457 1.00 0.77 C ATOM 1753 CG GLU A 117 2.272 5.069 -4.785 1.00 0.85 C ATOM 1754 CD GLU A 117 1.761 3.825 -5.498 1.00 1.61 C ATOM 1755 OE1 GLU A 117 2.624 3.002 -5.875 1.00 2.39 O ATOM 1756 OE2 GLU A 117 0.527 3.709 -5.645 1.00 2.67 O ATOM 0 H GLU A 117 3.854 4.697 -1.025 1.00 0.49 H new ATOM 0 HA GLU A 117 1.966 6.410 -2.597 1.00 0.61 H new ATOM 0 HB2 GLU A 117 4.018 5.019 -3.532 1.00 0.77 H new ATOM 0 HB3 GLU A 117 2.929 3.667 -3.293 1.00 0.77 H new ATOM 0 HG2 GLU A 117 1.438 5.745 -4.599 1.00 0.85 H new ATOM 0 HG3 GLU A 117 2.970 5.596 -5.436 1.00 0.85 H new ATOM 1763 N TYR A 118 0.238 5.407 -1.028 1.00 0.69 N ATOM 1764 CA TYR A 118 -0.740 4.814 -0.129 1.00 0.70 C ATOM 1765 C TYR A 118 -2.090 5.498 -0.233 1.00 0.76 C ATOM 1766 O TYR A 118 -2.233 6.506 -0.922 1.00 0.90 O ATOM 1767 CB TYR A 118 -0.224 4.831 1.317 1.00 0.66 C ATOM 1768 CG TYR A 118 -0.505 6.094 2.104 1.00 0.62 C ATOM 1769 CD1 TYR A 118 0.128 7.302 1.763 1.00 1.86 C ATOM 1770 CD2 TYR A 118 -1.432 6.065 3.163 1.00 1.60 C ATOM 1771 CE1 TYR A 118 -0.124 8.464 2.512 1.00 1.81 C ATOM 1772 CE2 TYR A 118 -1.686 7.226 3.907 1.00 1.64 C ATOM 1773 CZ TYR A 118 -1.031 8.424 3.586 1.00 0.61 C ATOM 1774 OH TYR A 118 -1.293 9.549 4.310 1.00 0.67 O ATOM 0 H TYR A 118 0.116 6.409 -1.177 1.00 0.69 H new ATOM 0 HA TYR A 118 -0.881 3.777 -0.433 1.00 0.70 H new ATOM 0 HB2 TYR A 118 -0.665 3.988 1.850 1.00 0.66 H new ATOM 0 HB3 TYR A 118 0.854 4.669 1.300 1.00 0.66 H new ATOM 0 HD1 TYR A 118 0.808 7.337 0.925 1.00 1.86 H new ATOM 0 HD2 TYR A 118 -1.948 5.147 3.403 1.00 1.60 H new ATOM 0 HE1 TYR A 118 0.378 9.387 2.263 1.00 1.81 H new ATOM 0 HE2 TYR A 118 -2.387 7.198 4.728 1.00 1.64 H new ATOM 0 HH TYR A 118 -2.248 9.762 4.249 1.00 0.67 H new ATOM 1784 N ASN A 119 -3.080 4.904 0.432 1.00 0.68 N ATOM 1785 CA ASN A 119 -4.475 5.289 0.351 1.00 0.71 C ATOM 1786 C ASN A 119 -4.841 6.174 1.547 1.00 0.70 C ATOM 1787 O ASN A 119 -5.079 5.648 2.638 1.00 0.75 O ATOM 1788 CB ASN A 119 -5.315 4.010 0.298 1.00 0.80 C ATOM 1789 CG ASN A 119 -6.683 4.285 -0.302 1.00 1.10 C ATOM 1790 OD1 ASN A 119 -7.460 5.057 0.255 1.00 1.34 O ATOM 1791 ND2 ASN A 119 -6.970 3.641 -1.436 1.00 2.29 N ATOM 0 H ASN A 119 -2.920 4.117 1.061 1.00 0.68 H new ATOM 0 HA ASN A 119 -4.671 5.875 -0.547 1.00 0.71 H new ATOM 0 HB2 ASN A 119 -4.798 3.255 -0.295 1.00 0.80 H new ATOM 0 HB3 ASN A 119 -5.429 3.603 1.303 1.00 0.80 H new ATOM 0 HD21 ASN A 119 -7.875 3.779 -1.886 1.00 2.29 H new ATOM 0 HD22 ASN A 119 -6.284 3.012 -1.853 1.00 2.29 H new ATOM 1798 N PRO A 120 -4.922 7.508 1.380 1.00 0.69 N ATOM 1799 CA PRO A 120 -5.105 8.437 2.486 1.00 0.70 C ATOM 1800 C PRO A 120 -6.551 8.452 3.005 1.00 0.82 C ATOM 1801 O PRO A 120 -6.937 9.372 3.720 1.00 0.86 O ATOM 1802 CB PRO A 120 -4.698 9.799 1.916 1.00 0.70 C ATOM 1803 CG PRO A 120 -5.162 9.697 0.465 1.00 0.76 C ATOM 1804 CD PRO A 120 -4.842 8.242 0.123 1.00 0.72 C ATOM 0 HA PRO A 120 -4.506 8.153 3.351 1.00 0.70 H new ATOM 0 HB2 PRO A 120 -5.184 10.621 2.441 1.00 0.70 H new ATOM 0 HB3 PRO A 120 -3.623 9.965 1.988 1.00 0.70 H new ATOM 0 HG2 PRO A 120 -6.225 9.915 0.362 1.00 0.76 H new ATOM 0 HG3 PRO A 120 -4.629 10.394 -0.182 1.00 0.76 H new ATOM 0 HD2 PRO A 120 -5.550 7.847 -0.605 1.00 0.72 H new ATOM 0 HD3 PRO A 120 -3.849 8.154 -0.318 1.00 0.72 H new ATOM 1812 N LYS A 121 -7.368 7.467 2.617 1.00 0.93 N ATOM 1813 CA LYS A 121 -8.687 7.236 3.187 1.00 1.04 C ATOM 1814 C LYS A 121 -8.619 6.081 4.182 1.00 1.08 C ATOM 1815 O LYS A 121 -9.296 6.109 5.208 1.00 1.26 O ATOM 1816 CB LYS A 121 -9.687 6.923 2.069 1.00 1.14 C ATOM 1817 CG LYS A 121 -9.630 7.929 0.913 1.00 2.19 C ATOM 1818 CD LYS A 121 -9.879 9.360 1.405 1.00 3.29 C ATOM 1819 CE LYS A 121 -9.973 10.328 0.221 1.00 4.73 C ATOM 1820 NZ LYS A 121 -10.115 11.726 0.674 1.00 5.81 N ATOM 0 H LYS A 121 -7.121 6.800 1.886 1.00 0.93 H new ATOM 0 HA LYS A 121 -9.020 8.132 3.711 1.00 1.04 H new ATOM 0 HB2 LYS A 121 -9.490 5.923 1.683 1.00 1.14 H new ATOM 0 HB3 LYS A 121 -10.695 6.912 2.484 1.00 1.14 H new ATOM 0 HG2 LYS A 121 -8.655 7.874 0.428 1.00 2.19 H new ATOM 0 HG3 LYS A 121 -10.375 7.666 0.162 1.00 2.19 H new ATOM 0 HD2 LYS A 121 -10.801 9.396 1.985 1.00 3.29 H new ATOM 0 HD3 LYS A 121 -9.072 9.667 2.070 1.00 3.29 H new ATOM 0 HE2 LYS A 121 -9.081 10.234 -0.399 1.00 4.73 H new ATOM 0 HE3 LYS A 121 -10.825 10.059 -0.404 1.00 4.73 H new ATOM 0 HZ1 LYS A 121 -10.176 12.354 -0.153 1.00 5.81 H new ATOM 0 HZ2 LYS A 121 -10.979 11.820 1.245 1.00 5.81 H new ATOM 0 HZ3 LYS A 121 -9.290 11.990 1.249 1.00 5.81 H new ATOM 1834 N GLU A 122 -7.822 5.061 3.857 1.00 1.01 N ATOM 1835 CA GLU A 122 -7.673 3.870 4.667 1.00 1.06 C ATOM 1836 C GLU A 122 -6.785 4.203 5.871 1.00 0.98 C ATOM 1837 O GLU A 122 -7.172 3.969 7.013 1.00 1.09 O ATOM 1838 CB GLU A 122 -7.121 2.756 3.763 1.00 1.14 C ATOM 1839 CG GLU A 122 -7.515 1.358 4.248 1.00 0.72 C ATOM 1840 CD GLU A 122 -6.749 0.934 5.492 1.00 2.77 C ATOM 1841 OE1 GLU A 122 -5.524 1.190 5.511 1.00 4.41 O ATOM 1842 OE2 GLU A 122 -7.413 0.358 6.380 1.00 3.64 O ATOM 0 H GLU A 122 -7.257 5.048 3.008 1.00 1.01 H new ATOM 0 HA GLU A 122 -8.618 3.514 5.076 1.00 1.06 H new ATOM 0 HB2 GLU A 122 -7.488 2.902 2.747 1.00 1.14 H new ATOM 0 HB3 GLU A 122 -6.034 2.830 3.723 1.00 1.14 H new ATOM 0 HG2 GLU A 122 -8.584 1.339 4.460 1.00 0.72 H new ATOM 0 HG3 GLU A 122 -7.335 0.637 3.451 1.00 0.72 H new ATOM 1849 N ALA A 123 -5.626 4.821 5.612 1.00 0.85 N ATOM 1850 CA ALA A 123 -4.698 5.266 6.647 1.00 0.80 C ATOM 1851 C ALA A 123 -4.476 6.772 6.504 1.00 0.75 C ATOM 1852 O ALA A 123 -5.109 7.418 5.669 1.00 0.77 O ATOM 1853 CB ALA A 123 -3.395 4.468 6.535 1.00 0.73 C ATOM 0 H ALA A 123 -5.307 5.026 4.665 1.00 0.85 H new ATOM 0 HA ALA A 123 -5.107 5.085 7.641 1.00 0.80 H new ATOM 0 HB1 ALA A 123 -2.699 4.798 7.307 1.00 0.73 H new ATOM 0 HB2 ALA A 123 -3.606 3.407 6.666 1.00 0.73 H new ATOM 0 HB3 ALA A 123 -2.952 4.631 5.553 1.00 0.73 H new ATOM 1859 N SER A 124 -3.585 7.361 7.307 1.00 0.73 N ATOM 1860 CA SER A 124 -3.244 8.776 7.224 1.00 0.71 C ATOM 1861 C SER A 124 -1.853 8.980 7.819 1.00 0.66 C ATOM 1862 O SER A 124 -1.375 8.136 8.572 1.00 0.70 O ATOM 1863 CB SER A 124 -4.293 9.613 7.968 1.00 0.81 C ATOM 1864 OG SER A 124 -5.503 9.671 7.240 1.00 2.57 O ATOM 0 H SER A 124 -3.078 6.861 8.038 1.00 0.73 H new ATOM 0 HA SER A 124 -3.237 9.101 6.184 1.00 0.71 H new ATOM 0 HB2 SER A 124 -4.477 9.182 8.952 1.00 0.81 H new ATOM 0 HB3 SER A 124 -3.912 10.622 8.128 1.00 0.81 H new ATOM 0 HG SER A 124 -5.486 9.003 6.523 1.00 2.57 H new ATOM 1870 N VAL A 125 -1.211 10.106 7.497 1.00 0.67 N ATOM 1871 CA VAL A 125 0.177 10.398 7.852 1.00 0.75 C ATOM 1872 C VAL A 125 0.475 10.132 9.332 1.00 0.68 C ATOM 1873 O VAL A 125 1.549 9.644 9.667 1.00 0.69 O ATOM 1874 CB VAL A 125 0.543 11.840 7.449 1.00 0.95 C ATOM 1875 CG1 VAL A 125 2.057 12.052 7.583 1.00 1.47 C ATOM 1876 CG2 VAL A 125 0.121 12.139 6.004 1.00 1.97 C ATOM 0 H VAL A 125 -1.655 10.858 6.969 1.00 0.67 H new ATOM 0 HA VAL A 125 0.809 9.711 7.289 1.00 0.75 H new ATOM 0 HB VAL A 125 0.010 12.518 8.116 1.00 0.95 H new ATOM 0 HG11 VAL A 125 2.308 13.073 7.296 1.00 1.47 H new ATOM 0 HG12 VAL A 125 2.358 11.880 8.616 1.00 1.47 H new ATOM 0 HG13 VAL A 125 2.581 11.353 6.931 1.00 1.47 H new ATOM 0 HG21 VAL A 125 0.393 13.164 5.750 1.00 1.97 H new ATOM 0 HG22 VAL A 125 0.628 11.451 5.327 1.00 1.97 H new ATOM 0 HG23 VAL A 125 -0.958 12.015 5.907 1.00 1.97 H new ATOM 1886 N SER A 126 -0.465 10.441 10.226 1.00 0.67 N ATOM 1887 CA SER A 126 -0.337 10.162 11.647 1.00 0.70 C ATOM 1888 C SER A 126 0.056 8.704 11.920 1.00 0.61 C ATOM 1889 O SER A 126 0.944 8.456 12.734 1.00 0.63 O ATOM 1890 CB SER A 126 -1.659 10.522 12.328 1.00 0.79 C ATOM 1891 OG SER A 126 -2.043 11.813 11.889 1.00 0.91 O ATOM 0 H SER A 126 -1.343 10.896 9.976 1.00 0.67 H new ATOM 0 HA SER A 126 0.470 10.768 12.058 1.00 0.70 H new ATOM 0 HB2 SER A 126 -2.428 9.791 12.078 1.00 0.79 H new ATOM 0 HB3 SER A 126 -1.545 10.507 13.412 1.00 0.79 H new ATOM 0 HG SER A 126 -2.890 12.064 12.312 1.00 0.91 H new ATOM 1897 N ASP A 127 -0.586 7.758 11.226 1.00 0.56 N ATOM 1898 CA ASP A 127 -0.299 6.336 11.361 1.00 0.57 C ATOM 1899 C ASP A 127 1.168 6.075 11.022 1.00 0.52 C ATOM 1900 O ASP A 127 1.916 5.478 11.791 1.00 0.57 O ATOM 1901 CB ASP A 127 -1.218 5.532 10.437 1.00 0.59 C ATOM 1902 CG ASP A 127 -0.826 4.065 10.461 1.00 0.86 C ATOM 1903 OD1 ASP A 127 -1.299 3.370 11.383 1.00 1.83 O ATOM 1904 OD2 ASP A 127 -0.041 3.687 9.565 1.00 1.74 O ATOM 0 H ASP A 127 -1.323 7.965 10.552 1.00 0.56 H new ATOM 0 HA ASP A 127 -0.481 6.022 12.389 1.00 0.57 H new ATOM 0 HB2 ASP A 127 -2.255 5.645 10.754 1.00 0.59 H new ATOM 0 HB3 ASP A 127 -1.152 5.918 9.420 1.00 0.59 H new ATOM 1909 N LEU A 128 1.580 6.598 9.869 1.00 0.51 N ATOM 1910 CA LEU A 128 2.912 6.421 9.314 1.00 0.57 C ATOM 1911 C LEU A 128 3.952 7.001 10.270 1.00 0.54 C ATOM 1912 O LEU A 128 4.986 6.385 10.534 1.00 0.52 O ATOM 1913 CB LEU A 128 2.970 7.062 7.923 1.00 0.72 C ATOM 1914 CG LEU A 128 2.114 6.244 6.945 1.00 0.89 C ATOM 1915 CD1 LEU A 128 1.656 7.101 5.770 1.00 1.27 C ATOM 1916 CD2 LEU A 128 2.864 5.022 6.403 1.00 0.81 C ATOM 0 H LEU A 128 0.976 7.172 9.281 1.00 0.51 H new ATOM 0 HA LEU A 128 3.139 5.361 9.199 1.00 0.57 H new ATOM 0 HB2 LEU A 128 2.607 8.089 7.969 1.00 0.72 H new ATOM 0 HB3 LEU A 128 4.001 7.104 7.573 1.00 0.72 H new ATOM 0 HG LEU A 128 1.248 5.899 7.510 1.00 0.89 H new ATOM 0 HD11 LEU A 128 1.052 6.497 5.093 1.00 1.27 H new ATOM 0 HD12 LEU A 128 1.062 7.937 6.139 1.00 1.27 H new ATOM 0 HD13 LEU A 128 2.527 7.483 5.237 1.00 1.27 H new ATOM 0 HD21 LEU A 128 2.219 4.475 5.716 1.00 0.81 H new ATOM 0 HD22 LEU A 128 3.760 5.349 5.876 1.00 0.81 H new ATOM 0 HD23 LEU A 128 3.147 4.372 7.231 1.00 0.81 H new ATOM 1928 N LYS A 129 3.659 8.184 10.813 1.00 0.57 N ATOM 1929 CA LYS A 129 4.481 8.793 11.840 1.00 0.62 C ATOM 1930 C LYS A 129 4.573 7.881 13.070 1.00 0.59 C ATOM 1931 O LYS A 129 5.680 7.616 13.526 1.00 0.63 O ATOM 1932 CB LYS A 129 4.002 10.220 12.143 1.00 0.78 C ATOM 1933 CG LYS A 129 4.305 11.118 10.930 1.00 0.93 C ATOM 1934 CD LYS A 129 4.246 12.633 11.179 1.00 1.27 C ATOM 1935 CE LYS A 129 2.849 13.169 11.516 1.00 2.50 C ATOM 1936 NZ LYS A 129 2.471 12.924 12.922 1.00 3.13 N ATOM 0 H LYS A 129 2.845 8.739 10.549 1.00 0.57 H new ATOM 0 HA LYS A 129 5.503 8.899 11.477 1.00 0.62 H new ATOM 0 HB2 LYS A 129 2.933 10.221 12.355 1.00 0.78 H new ATOM 0 HB3 LYS A 129 4.503 10.605 13.031 1.00 0.78 H new ATOM 0 HG2 LYS A 129 5.299 10.870 10.559 1.00 0.93 H new ATOM 0 HG3 LYS A 129 3.599 10.873 10.137 1.00 0.93 H new ATOM 0 HD2 LYS A 129 4.923 12.881 11.997 1.00 1.27 H new ATOM 0 HD3 LYS A 129 4.615 13.149 10.292 1.00 1.27 H new ATOM 0 HE2 LYS A 129 2.817 14.240 11.316 1.00 2.50 H new ATOM 0 HE3 LYS A 129 2.116 12.700 10.860 1.00 2.50 H new ATOM 0 HZ1 LYS A 129 1.886 13.712 13.267 1.00 3.13 H new ATOM 0 HZ2 LYS A 129 1.931 12.038 12.987 1.00 3.13 H new ATOM 0 HZ3 LYS A 129 3.329 12.850 13.504 1.00 3.13 H new ATOM 1950 N GLU A 130 3.457 7.351 13.586 1.00 0.57 N ATOM 1951 CA GLU A 130 3.521 6.428 14.719 1.00 0.60 C ATOM 1952 C GLU A 130 4.405 5.222 14.377 1.00 0.56 C ATOM 1953 O GLU A 130 5.280 4.828 15.150 1.00 0.63 O ATOM 1954 CB GLU A 130 2.102 5.988 15.105 1.00 0.63 C ATOM 1955 CG GLU A 130 1.903 5.874 16.620 1.00 0.94 C ATOM 1956 CD GLU A 130 2.685 4.765 17.322 1.00 1.75 C ATOM 1957 OE1 GLU A 130 2.802 3.630 16.810 1.00 2.32 O ATOM 1958 OE2 GLU A 130 3.154 4.994 18.455 1.00 2.92 O ATOM 0 H GLU A 130 2.516 7.543 13.242 1.00 0.57 H new ATOM 0 HA GLU A 130 3.970 6.934 15.574 1.00 0.60 H new ATOM 0 HB2 GLU A 130 1.384 6.702 14.702 1.00 0.63 H new ATOM 0 HB3 GLU A 130 1.887 5.025 14.642 1.00 0.63 H new ATOM 0 HG2 GLU A 130 2.177 6.826 17.074 1.00 0.94 H new ATOM 0 HG3 GLU A 130 0.842 5.721 16.815 1.00 0.94 H new ATOM 1965 N ALA A 131 4.193 4.655 13.186 1.00 0.52 N ATOM 1966 CA ALA A 131 4.906 3.481 12.732 1.00 0.55 C ATOM 1967 C ALA A 131 6.405 3.755 12.747 1.00 0.52 C ATOM 1968 O ALA A 131 7.163 3.032 13.392 1.00 0.59 O ATOM 1969 CB ALA A 131 4.409 3.067 11.342 1.00 0.59 C ATOM 0 H ALA A 131 3.514 5.009 12.512 1.00 0.52 H new ATOM 0 HA ALA A 131 4.713 2.647 13.406 1.00 0.55 H new ATOM 0 HB1 ALA A 131 4.952 2.182 11.010 1.00 0.59 H new ATOM 0 HB2 ALA A 131 3.343 2.842 11.389 1.00 0.59 H new ATOM 0 HB3 ALA A 131 4.577 3.882 10.638 1.00 0.59 H new ATOM 1975 N VAL A 132 6.854 4.807 12.056 1.00 0.48 N ATOM 1976 CA VAL A 132 8.269 5.096 11.970 1.00 0.49 C ATOM 1977 C VAL A 132 8.829 5.442 13.356 1.00 0.50 C ATOM 1978 O VAL A 132 9.970 5.091 13.665 1.00 0.54 O ATOM 1979 CB VAL A 132 8.506 6.164 10.896 1.00 0.52 C ATOM 1980 CG1 VAL A 132 8.261 7.565 11.451 1.00 1.69 C ATOM 1981 CG2 VAL A 132 9.914 6.028 10.315 1.00 1.24 C ATOM 0 H VAL A 132 6.254 5.462 11.555 1.00 0.48 H new ATOM 0 HA VAL A 132 8.827 4.216 11.651 1.00 0.49 H new ATOM 0 HB VAL A 132 7.791 6.008 10.088 1.00 0.52 H new ATOM 0 HG11 VAL A 132 8.436 8.302 10.668 1.00 1.69 H new ATOM 0 HG12 VAL A 132 7.231 7.643 11.799 1.00 1.69 H new ATOM 0 HG13 VAL A 132 8.940 7.751 12.283 1.00 1.69 H new ATOM 0 HG21 VAL A 132 10.069 6.792 9.554 1.00 1.24 H new ATOM 0 HG22 VAL A 132 10.649 6.153 11.110 1.00 1.24 H new ATOM 0 HG23 VAL A 132 10.029 5.041 9.867 1.00 1.24 H new ATOM 1991 N ASP A 133 8.009 6.074 14.211 1.00 0.53 N ATOM 1992 CA ASP A 133 8.380 6.293 15.600 1.00 0.60 C ATOM 1993 C ASP A 133 8.738 4.954 16.240 1.00 0.62 C ATOM 1994 O ASP A 133 9.801 4.797 16.834 1.00 0.67 O ATOM 1995 CB ASP A 133 7.286 7.029 16.395 1.00 0.65 C ATOM 1996 CG ASP A 133 7.800 8.348 16.956 1.00 1.42 C ATOM 1997 OD1 ASP A 133 8.591 8.282 17.920 1.00 2.58 O ATOM 1998 OD2 ASP A 133 7.397 9.401 16.413 1.00 1.95 O ATOM 0 H ASP A 133 7.090 6.437 13.957 1.00 0.53 H new ATOM 0 HA ASP A 133 9.251 6.948 15.623 1.00 0.60 H new ATOM 0 HB2 ASP A 133 6.428 7.216 15.749 1.00 0.65 H new ATOM 0 HB3 ASP A 133 6.938 6.395 17.211 1.00 0.65 H new ATOM 2003 N LYS A 134 7.876 3.956 16.050 1.00 0.63 N ATOM 2004 CA LYS A 134 8.100 2.593 16.512 1.00 0.71 C ATOM 2005 C LYS A 134 9.345 1.944 15.888 1.00 0.71 C ATOM 2006 O LYS A 134 10.001 1.137 16.542 1.00 0.85 O ATOM 2007 CB LYS A 134 6.819 1.761 16.313 1.00 0.82 C ATOM 2008 CG LYS A 134 6.354 1.127 17.632 1.00 0.92 C ATOM 2009 CD LYS A 134 4.852 0.792 17.603 1.00 1.22 C ATOM 2010 CE LYS A 134 4.167 1.207 18.913 1.00 1.95 C ATOM 2011 NZ LYS A 134 4.114 2.678 19.046 1.00 2.84 N ATOM 0 H LYS A 134 6.988 4.077 15.562 1.00 0.63 H new ATOM 0 HA LYS A 134 8.319 2.626 17.579 1.00 0.71 H new ATOM 0 HB2 LYS A 134 6.028 2.397 15.914 1.00 0.82 H new ATOM 0 HB3 LYS A 134 7.002 0.979 15.576 1.00 0.82 H new ATOM 0 HG2 LYS A 134 6.926 0.219 17.821 1.00 0.92 H new ATOM 0 HG3 LYS A 134 6.559 1.810 18.456 1.00 0.92 H new ATOM 0 HD2 LYS A 134 4.379 1.302 16.764 1.00 1.22 H new ATOM 0 HD3 LYS A 134 4.718 -0.278 17.442 1.00 1.22 H new ATOM 0 HE2 LYS A 134 3.156 0.800 18.943 1.00 1.95 H new ATOM 0 HE3 LYS A 134 4.707 0.782 19.759 1.00 1.95 H new ATOM 0 HZ1 LYS A 134 4.158 2.937 20.052 1.00 2.84 H new ATOM 0 HZ2 LYS A 134 4.920 3.101 18.544 1.00 2.84 H new ATOM 0 HZ3 LYS A 134 3.226 3.032 18.636 1.00 2.84 H new ATOM 2025 N LEU A 135 9.700 2.297 14.648 1.00 0.62 N ATOM 2026 CA LEU A 135 10.986 1.901 14.063 1.00 0.62 C ATOM 2027 C LEU A 135 12.168 2.617 14.735 1.00 0.62 C ATOM 2028 O LEU A 135 13.304 2.163 14.600 1.00 0.72 O ATOM 2029 CB LEU A 135 11.010 2.142 12.546 1.00 0.61 C ATOM 2030 CG LEU A 135 10.443 0.988 11.702 1.00 0.63 C ATOM 2031 CD1 LEU A 135 11.417 -0.201 11.692 1.00 0.58 C ATOM 2032 CD2 LEU A 135 9.034 0.593 12.153 1.00 0.81 C ATOM 0 H LEU A 135 9.114 2.857 14.029 1.00 0.62 H new ATOM 0 HA LEU A 135 11.096 0.832 14.244 1.00 0.62 H new ATOM 0 HB2 LEU A 135 10.443 3.047 12.327 1.00 0.61 H new ATOM 0 HB3 LEU A 135 12.039 2.328 12.238 1.00 0.61 H new ATOM 0 HG LEU A 135 10.342 1.334 10.673 1.00 0.63 H new ATOM 0 HD11 LEU A 135 11.000 -1.008 11.090 1.00 0.58 H new ATOM 0 HD12 LEU A 135 12.370 0.113 11.267 1.00 0.58 H new ATOM 0 HD13 LEU A 135 11.573 -0.552 12.712 1.00 0.58 H new ATOM 0 HD21 LEU A 135 8.669 -0.225 11.532 1.00 0.81 H new ATOM 0 HD22 LEU A 135 9.062 0.273 13.195 1.00 0.81 H new ATOM 0 HD23 LEU A 135 8.367 1.449 12.054 1.00 0.81 H new ATOM 2044 N GLY A 136 11.920 3.720 15.445 1.00 0.60 N ATOM 2045 CA GLY A 136 12.914 4.445 16.222 1.00 0.63 C ATOM 2046 C GLY A 136 13.483 5.637 15.456 1.00 0.66 C ATOM 2047 O GLY A 136 14.621 6.032 15.706 1.00 0.76 O ATOM 0 H GLY A 136 10.992 4.142 15.493 1.00 0.60 H new ATOM 0 HA2 GLY A 136 12.464 4.793 17.151 1.00 0.63 H new ATOM 0 HA3 GLY A 136 13.725 3.769 16.494 1.00 0.63 H new ATOM 2051 N TYR A 137 12.710 6.219 14.534 1.00 0.69 N ATOM 2052 CA TYR A 137 13.123 7.354 13.710 1.00 0.71 C ATOM 2053 C TYR A 137 11.923 8.292 13.563 1.00 0.77 C ATOM 2054 O TYR A 137 10.852 7.946 14.047 1.00 0.98 O ATOM 2055 CB TYR A 137 13.592 6.828 12.350 1.00 0.64 C ATOM 2056 CG TYR A 137 14.620 5.707 12.416 1.00 0.65 C ATOM 2057 CD1 TYR A 137 15.902 5.927 12.957 1.00 2.04 C ATOM 2058 CD2 TYR A 137 14.236 4.402 12.064 1.00 1.82 C ATOM 2059 CE1 TYR A 137 16.818 4.864 13.058 1.00 2.21 C ATOM 2060 CE2 TYR A 137 15.137 3.333 12.197 1.00 1.68 C ATOM 2061 CZ TYR A 137 16.423 3.564 12.711 1.00 0.86 C ATOM 2062 OH TYR A 137 17.291 2.521 12.857 1.00 1.09 O ATOM 0 H TYR A 137 11.759 5.906 14.337 1.00 0.69 H new ATOM 0 HA TYR A 137 13.947 7.903 14.166 1.00 0.71 H new ATOM 0 HB2 TYR A 137 12.724 6.473 11.795 1.00 0.64 H new ATOM 0 HB3 TYR A 137 14.016 7.657 11.783 1.00 0.64 H new ATOM 0 HD1 TYR A 137 16.182 6.914 13.295 1.00 2.04 H new ATOM 0 HD2 TYR A 137 13.240 4.220 11.688 1.00 1.82 H new ATOM 0 HE1 TYR A 137 17.825 5.049 13.403 1.00 2.21 H new ATOM 0 HE2 TYR A 137 14.842 2.336 11.905 1.00 1.68 H new ATOM 0 HH TYR A 137 18.033 2.622 12.225 1.00 1.09 H new ATOM 2072 N LYS A 138 12.060 9.456 12.908 1.00 0.75 N ATOM 2073 CA LYS A 138 10.909 10.327 12.662 1.00 0.83 C ATOM 2074 C LYS A 138 10.757 10.659 11.179 1.00 0.74 C ATOM 2075 O LYS A 138 11.748 10.799 10.460 1.00 0.72 O ATOM 2076 CB LYS A 138 10.876 11.570 13.567 1.00 1.15 C ATOM 2077 CG LYS A 138 12.019 12.573 13.368 1.00 1.28 C ATOM 2078 CD LYS A 138 13.290 12.220 14.150 1.00 1.66 C ATOM 2079 CE LYS A 138 13.145 12.480 15.657 1.00 2.98 C ATOM 2080 NZ LYS A 138 14.342 12.049 16.405 1.00 3.80 N ATOM 0 H LYS A 138 12.946 9.809 12.545 1.00 0.75 H new ATOM 0 HA LYS A 138 10.026 9.755 12.947 1.00 0.83 H new ATOM 0 HB2 LYS A 138 9.931 12.089 13.405 1.00 1.15 H new ATOM 0 HB3 LYS A 138 10.885 11.240 14.606 1.00 1.15 H new ATOM 0 HG2 LYS A 138 12.260 12.630 12.307 1.00 1.28 H new ATOM 0 HG3 LYS A 138 11.679 13.563 13.672 1.00 1.28 H new ATOM 0 HD2 LYS A 138 13.533 11.170 13.988 1.00 1.66 H new ATOM 0 HD3 LYS A 138 14.125 12.804 13.763 1.00 1.66 H new ATOM 0 HE2 LYS A 138 12.973 13.543 15.828 1.00 2.98 H new ATOM 0 HE3 LYS A 138 12.270 11.951 16.035 1.00 2.98 H new ATOM 0 HZ1 LYS A 138 14.206 12.241 17.418 1.00 3.80 H new ATOM 0 HZ2 LYS A 138 14.492 11.030 16.263 1.00 3.80 H new ATOM 0 HZ3 LYS A 138 15.173 12.572 16.062 1.00 3.80 H new ATOM 2094 N LEU A 139 9.499 10.793 10.747 1.00 0.74 N ATOM 2095 CA LEU A 139 9.120 11.280 9.432 1.00 0.71 C ATOM 2096 C LEU A 139 8.730 12.749 9.546 1.00 0.67 C ATOM 2097 O LEU A 139 8.139 13.176 10.540 1.00 0.77 O ATOM 2098 CB LEU A 139 7.937 10.484 8.872 1.00 0.90 C ATOM 2099 CG LEU A 139 8.380 9.171 8.218 1.00 0.51 C ATOM 2100 CD1 LEU A 139 7.173 8.236 8.133 1.00 1.59 C ATOM 2101 CD2 LEU A 139 8.923 9.374 6.810 1.00 1.41 C ATOM 0 H LEU A 139 8.695 10.555 11.328 1.00 0.74 H new ATOM 0 HA LEU A 139 9.966 11.160 8.755 1.00 0.71 H new ATOM 0 HB2 LEU A 139 7.234 10.268 9.676 1.00 0.90 H new ATOM 0 HB3 LEU A 139 7.407 11.092 8.139 1.00 0.90 H new ATOM 0 HG LEU A 139 9.179 8.752 8.830 1.00 0.51 H new ATOM 0 HD11 LEU A 139 7.473 7.296 7.669 1.00 1.59 H new ATOM 0 HD12 LEU A 139 6.793 8.041 9.136 1.00 1.59 H new ATOM 0 HD13 LEU A 139 6.392 8.704 7.533 1.00 1.59 H new ATOM 0 HD21 LEU A 139 9.222 8.412 6.393 1.00 1.41 H new ATOM 0 HD22 LEU A 139 8.150 9.817 6.182 1.00 1.41 H new ATOM 0 HD23 LEU A 139 9.786 10.039 6.845 1.00 1.41 H new ATOM 2113 N LYS A 140 9.035 13.493 8.493 1.00 0.62 N ATOM 2114 CA LYS A 140 8.683 14.870 8.234 1.00 0.60 C ATOM 2115 C LYS A 140 8.122 14.912 6.817 1.00 0.47 C ATOM 2116 O LYS A 140 8.268 13.958 6.059 1.00 0.48 O ATOM 2117 CB LYS A 140 9.941 15.735 8.361 1.00 0.69 C ATOM 2118 CG LYS A 140 10.292 15.955 9.840 1.00 1.01 C ATOM 2119 CD LYS A 140 10.205 17.445 10.195 1.00 1.46 C ATOM 2120 CE LYS A 140 11.476 18.182 9.749 1.00 1.66 C ATOM 2121 NZ LYS A 140 12.574 17.981 10.715 1.00 2.61 N ATOM 0 H LYS A 140 9.588 13.105 7.729 1.00 0.62 H new ATOM 0 HA LYS A 140 7.946 15.252 8.940 1.00 0.60 H new ATOM 0 HB2 LYS A 140 10.775 15.253 7.851 1.00 0.69 H new ATOM 0 HB3 LYS A 140 9.780 16.696 7.872 1.00 0.69 H new ATOM 0 HG2 LYS A 140 9.611 15.384 10.471 1.00 1.01 H new ATOM 0 HG3 LYS A 140 11.297 15.585 10.041 1.00 1.01 H new ATOM 0 HD2 LYS A 140 9.333 17.889 9.714 1.00 1.46 H new ATOM 0 HD3 LYS A 140 10.069 17.561 11.270 1.00 1.46 H new ATOM 0 HE2 LYS A 140 11.782 17.823 8.766 1.00 1.66 H new ATOM 0 HE3 LYS A 140 11.266 19.247 9.649 1.00 1.66 H new ATOM 0 HZ1 LYS A 140 13.468 17.848 10.201 1.00 2.61 H new ATOM 0 HZ2 LYS A 140 12.650 18.814 11.332 1.00 2.61 H new ATOM 0 HZ3 LYS A 140 12.378 17.139 11.293 1.00 2.61 H new ATOM 2135 N LEU A 141 7.425 15.987 6.468 1.00 0.47 N ATOM 2136 CA LEU A 141 6.725 16.105 5.203 1.00 0.45 C ATOM 2137 C LEU A 141 7.483 17.107 4.325 1.00 0.53 C ATOM 2138 O LEU A 141 7.924 18.143 4.820 1.00 0.73 O ATOM 2139 CB LEU A 141 5.287 16.552 5.487 1.00 0.57 C ATOM 2140 CG LEU A 141 4.374 15.498 6.141 1.00 0.97 C ATOM 2141 CD1 LEU A 141 4.780 15.101 7.569 1.00 1.24 C ATOM 2142 CD2 LEU A 141 2.953 16.069 6.187 1.00 1.68 C ATOM 0 H LEU A 141 7.332 16.809 7.065 1.00 0.47 H new ATOM 0 HA LEU A 141 6.682 15.155 4.670 1.00 0.45 H new ATOM 0 HB2 LEU A 141 5.320 17.428 6.134 1.00 0.57 H new ATOM 0 HB3 LEU A 141 4.832 16.867 4.548 1.00 0.57 H new ATOM 0 HG LEU A 141 4.454 14.595 5.536 1.00 0.97 H new ATOM 0 HD11 LEU A 141 4.083 14.355 7.951 1.00 1.24 H new ATOM 0 HD12 LEU A 141 5.787 14.685 7.558 1.00 1.24 H new ATOM 0 HD13 LEU A 141 4.758 15.981 8.212 1.00 1.24 H new ATOM 0 HD21 LEU A 141 2.283 15.342 6.646 1.00 1.68 H new ATOM 0 HD22 LEU A 141 2.949 16.988 6.774 1.00 1.68 H new ATOM 0 HD23 LEU A 141 2.614 16.284 5.174 1.00 1.68 H new ATOM 2154 N LYS A 142 7.651 16.833 3.028 1.00 0.52 N ATOM 2155 CA LYS A 142 8.360 17.745 2.146 1.00 0.70 C ATOM 2156 C LYS A 142 7.409 18.827 1.664 1.00 0.94 C ATOM 2157 O LYS A 142 6.624 18.626 0.741 1.00 1.06 O ATOM 2158 CB LYS A 142 8.996 17.002 0.970 1.00 0.80 C ATOM 2159 CG LYS A 142 10.193 16.180 1.470 1.00 1.03 C ATOM 2160 CD LYS A 142 11.340 16.079 0.456 1.00 1.28 C ATOM 2161 CE LYS A 142 11.997 17.434 0.142 1.00 2.05 C ATOM 2162 NZ LYS A 142 13.308 17.262 -0.517 1.00 3.03 N ATOM 0 H LYS A 142 7.305 15.988 2.573 1.00 0.52 H new ATOM 0 HA LYS A 142 9.172 18.211 2.704 1.00 0.70 H new ATOM 0 HB2 LYS A 142 8.262 16.347 0.500 1.00 0.80 H new ATOM 0 HB3 LYS A 142 9.321 17.713 0.210 1.00 0.80 H new ATOM 0 HG2 LYS A 142 10.571 16.628 2.389 1.00 1.03 H new ATOM 0 HG3 LYS A 142 9.853 15.175 1.721 1.00 1.03 H new ATOM 0 HD2 LYS A 142 12.097 15.397 0.842 1.00 1.28 H new ATOM 0 HD3 LYS A 142 10.961 15.644 -0.469 1.00 1.28 H new ATOM 0 HE2 LYS A 142 11.339 18.018 -0.502 1.00 2.05 H new ATOM 0 HE3 LYS A 142 12.124 18.000 1.065 1.00 2.05 H new ATOM 0 HZ1 LYS A 142 13.723 18.195 -0.714 1.00 3.03 H new ATOM 0 HZ2 LYS A 142 13.943 16.726 0.108 1.00 3.03 H new ATOM 0 HZ3 LYS A 142 13.182 16.743 -1.410 1.00 3.03 H new