USER MOD reduce.3.24.130724 H: found=0, std=0, add=1157, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1157 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 62 GLN : amide:sc= -0.0366 K(o=-0.029,f=-0.78) USER MOD Set 1.2: A 65 LYS NZ :NH3+ -111:sc= 0.00799 (180deg=0) USER MOD Set 2.1: A 57 LYS NZ :NH3+ -120:sc= 1.33 (180deg=0.198) USER MOD Set 2.2: A 59 ASN : amide:sc= 1.32 K(o=2.6,f=-12!) USER MOD Set 3.1: A 9 THR OG1 : rot 42:sc= 1 USER MOD Set 3.2: A 11 ASN : amide:sc= -0.289 X(o=0.71,f=0.64) USER MOD Set 4.1: A 2 LYS NZ :NH3+ -132:sc= 1.5 (180deg=-0.756) USER MOD Set 4.2: A 50 ASN : amide:sc= 0.917 K(o=2.4,f=-10!) USER MOD Single : A 1 MET CE :methyl -136:sc= -0.0945 (180deg=-0.854) USER MOD Single : A 1 MET N :NH3+ -141:sc= 1.27 (180deg=0.602) USER MOD Single : A 8 ASN : amide:sc= -0.99 K(o=-0.99,f=-2.2!) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 152:sc= 0.738 (180deg=0.394) USER MOD Single : A 17 LYS NZ :NH3+ 175:sc= 0.587 (180deg=0.525) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.57 X(o=-0.57,f=-0.078) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.5 K(o=-1.5,f=-0.0059) USER MOD Single : A 33 ASN : amide:sc= 0.802 K(o=0.8,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -120:sc= 0.527 (180deg=0.26) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 139:sc= -0.616 (180deg=-3.77!) USER MOD Single : A 43 LYS NZ :NH3+ -169:sc= 0.668 (180deg=0.414) USER MOD Single : A 44 LYS NZ :NH3+ 177:sc= 0.521 (180deg=0.517) USER MOD Single : A 49 LYS NZ :NH3+ -161:sc= 0.05 (180deg=0.0126) USER MOD Single : A 53 LYS NZ :NH3+ -168:sc= 0.811 (180deg=0.719) USER MOD Single : A 58 SER OG : rot -123:sc= 0.563 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 151:sc= -1.83 (180deg=-3.02!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 50:sc= -0.268 USER MOD Single : A 77 LYS NZ :NH3+ 166:sc= 0.509 (180deg=0.342) USER MOD Single : A 85 GLN : amide:sc= -0.503 K(o=-0.5,f=0) USER MOD Single : A 88 ASN : amide:sc= -0.068 X(o=-0.068,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 161:sc= 0.354 (180deg=0.0126) USER MOD Single : A 96 LYS NZ :NH3+ -163:sc= -0.0247 (180deg=-0.331) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.38) USER MOD Single : A 102 TYR OH : rot -99:sc= 0.235 USER MOD Single : A 106 LYS NZ :NH3+ 154:sc= -1.79! (180deg=-3.58!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 156:sc= 0.63 (180deg=0.243) USER MOD Single : A 121 MET CE :methyl 166:sc= -1.29 (180deg=-1.66) USER MOD Single : A 122 GLN : amide:sc= -0.579 K(o=-0.58,f=-3.8!) USER MOD Single : A 123 LYS NZ :NH3+ -116:sc= 0.514 (180deg=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 HIS : no HD1:sc= -0.577 K(o=-0.58,f=0.15) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HE2:sc= 0.682 K(o=0.68,f=-2.3!) USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 134 HIS : no HD1:sc= -0.0024 X(o=-0.0024,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.414 9.715 13.707 1.00 14.43 N ATOM 2 CA MET A 1 3.767 9.556 12.291 1.00 73.23 C ATOM 3 C MET A 1 3.849 8.063 11.938 1.00 24.32 C ATOM 4 O MET A 1 4.877 7.420 12.156 1.00 72.12 O ATOM 5 CB MET A 1 5.099 10.288 11.979 1.00 13.12 C ATOM 6 CG MET A 1 5.539 10.186 10.514 1.00 3.13 C ATOM 7 SD MET A 1 4.273 10.775 9.375 1.00 14.31 S ATOM 8 CE MET A 1 5.102 10.560 7.806 1.00 73.33 C ATOM 0 H1 MET A 1 2.755 10.512 13.813 1.00 14.43 H new ATOM 0 H2 MET A 1 2.962 8.844 14.052 1.00 14.43 H new ATOM 0 H3 MET A 1 4.275 9.901 14.261 1.00 14.43 H new ATOM 0 HA MET A 1 2.991 10.009 11.674 1.00 73.23 H new ATOM 0 HB2 MET A 1 4.994 11.340 12.244 1.00 13.12 H new ATOM 0 HB3 MET A 1 5.885 9.877 12.613 1.00 13.12 H new ATOM 0 HG2 MET A 1 6.451 10.765 10.370 1.00 3.13 H new ATOM 0 HG3 MET A 1 5.780 9.149 10.281 1.00 3.13 H new ATOM 0 HE1 MET A 1 4.940 11.441 7.185 1.00 73.33 H new ATOM 0 HE2 MET A 1 6.171 10.427 7.974 1.00 73.33 H new ATOM 0 HE3 MET A 1 4.702 9.681 7.301 1.00 73.33 H new ATOM 20 N LYS A 2 2.747 7.518 11.413 1.00 3.14 N ATOM 21 CA LYS A 2 2.657 6.106 11.006 1.00 11.53 C ATOM 22 C LYS A 2 3.062 5.981 9.520 1.00 30.21 C ATOM 23 O LYS A 2 2.677 6.827 8.707 1.00 40.33 O ATOM 24 CB LYS A 2 1.206 5.607 11.231 1.00 2.24 C ATOM 25 CG LYS A 2 0.990 4.085 11.034 1.00 61.44 C ATOM 26 CD LYS A 2 1.494 3.224 12.215 1.00 61.12 C ATOM 27 CE LYS A 2 0.763 3.539 13.536 1.00 15.14 C ATOM 28 NZ LYS A 2 0.994 2.506 14.571 1.00 31.34 N ATOM 0 H LYS A 2 1.887 8.043 11.256 1.00 3.14 H new ATOM 0 HA LYS A 2 3.333 5.492 11.602 1.00 11.53 H new ATOM 0 HB2 LYS A 2 0.901 5.872 12.243 1.00 2.24 H new ATOM 0 HB3 LYS A 2 0.546 6.142 10.549 1.00 2.24 H new ATOM 0 HG2 LYS A 2 -0.073 3.895 10.886 1.00 61.44 H new ATOM 0 HG3 LYS A 2 1.500 3.770 10.124 1.00 61.44 H new ATOM 0 HD2 LYS A 2 1.361 2.170 11.973 1.00 61.12 H new ATOM 0 HD3 LYS A 2 2.563 3.388 12.348 1.00 61.12 H new ATOM 0 HE2 LYS A 2 1.098 4.506 13.911 1.00 15.14 H new ATOM 0 HE3 LYS A 2 -0.307 3.624 13.344 1.00 15.14 H new ATOM 0 HZ1 LYS A 2 0.086 2.231 14.996 1.00 31.34 H new ATOM 0 HZ2 LYS A 2 1.439 1.672 14.136 1.00 31.34 H new ATOM 0 HZ3 LYS A 2 1.620 2.887 15.308 1.00 31.34 H new ATOM 42 N ILE A 3 3.855 4.954 9.171 1.00 61.45 N ATOM 43 CA ILE A 3 4.281 4.702 7.776 1.00 65.32 C ATOM 44 C ILE A 3 3.511 3.497 7.218 1.00 63.32 C ATOM 45 O ILE A 3 3.601 2.394 7.765 1.00 2.05 O ATOM 46 CB ILE A 3 5.835 4.441 7.673 1.00 31.32 C ATOM 47 CG1 ILE A 3 6.633 5.664 8.240 1.00 43.50 C ATOM 48 CG2 ILE A 3 6.262 4.112 6.214 1.00 13.40 C ATOM 49 CD1 ILE A 3 8.149 5.537 8.162 1.00 11.13 C ATOM 0 H ILE A 3 4.219 4.276 9.841 1.00 61.45 H new ATOM 0 HA ILE A 3 4.059 5.593 7.189 1.00 65.32 H new ATOM 0 HB ILE A 3 6.073 3.568 8.280 1.00 31.32 H new ATOM 0 HG12 ILE A 3 6.330 6.559 7.697 1.00 43.50 H new ATOM 0 HG13 ILE A 3 6.349 5.812 9.282 1.00 43.50 H new ATOM 0 HG21 ILE A 3 7.338 3.938 6.180 1.00 13.40 H new ATOM 0 HG22 ILE A 3 5.739 3.218 5.875 1.00 13.40 H new ATOM 0 HG23 ILE A 3 6.009 4.949 5.563 1.00 13.40 H new ATOM 0 HD11 ILE A 3 8.611 6.432 8.578 1.00 11.13 H new ATOM 0 HD12 ILE A 3 8.471 4.665 8.731 1.00 11.13 H new ATOM 0 HD13 ILE A 3 8.452 5.423 7.121 1.00 11.13 H new ATOM 61 N LEU A 4 2.717 3.725 6.157 1.00 43.11 N ATOM 62 CA LEU A 4 2.003 2.658 5.426 1.00 2.21 C ATOM 63 C LEU A 4 2.521 2.554 3.998 1.00 54.24 C ATOM 64 O LEU A 4 2.671 3.569 3.313 1.00 35.20 O ATOM 65 CB LEU A 4 0.457 2.906 5.394 1.00 14.12 C ATOM 66 CG LEU A 4 -0.368 2.233 6.531 1.00 20.13 C ATOM 67 CD1 LEU A 4 0.011 2.773 7.914 1.00 43.23 C ATOM 68 CD2 LEU A 4 -1.878 2.363 6.254 1.00 22.33 C ATOM 0 H LEU A 4 2.550 4.658 5.779 1.00 43.11 H new ATOM 0 HA LEU A 4 2.191 1.725 5.958 1.00 2.21 H new ATOM 0 HB2 LEU A 4 0.281 3.981 5.432 1.00 14.12 H new ATOM 0 HB3 LEU A 4 0.073 2.554 4.437 1.00 14.12 H new ATOM 0 HG LEU A 4 -0.120 1.172 6.540 1.00 20.13 H new ATOM 0 HD11 LEU A 4 -0.589 2.276 8.676 1.00 43.23 H new ATOM 0 HD12 LEU A 4 1.067 2.582 8.102 1.00 43.23 H new ATOM 0 HD13 LEU A 4 -0.175 3.846 7.949 1.00 43.23 H new ATOM 0 HD21 LEU A 4 -2.438 1.887 7.059 1.00 22.33 H new ATOM 0 HD22 LEU A 4 -2.148 3.417 6.198 1.00 22.33 H new ATOM 0 HD23 LEU A 4 -2.118 1.877 5.308 1.00 22.33 H new ATOM 80 N ILE A 5 2.791 1.317 3.563 1.00 25.21 N ATOM 81 CA ILE A 5 2.893 0.975 2.146 1.00 13.14 C ATOM 82 C ILE A 5 1.712 0.039 1.812 1.00 43.54 C ATOM 83 O ILE A 5 1.690 -1.116 2.241 1.00 64.42 O ATOM 84 CB ILE A 5 4.268 0.296 1.757 1.00 52.24 C ATOM 85 CG1 ILE A 5 5.482 1.194 2.179 1.00 64.24 C ATOM 86 CG2 ILE A 5 4.312 -0.008 0.236 1.00 34.31 C ATOM 87 CD1 ILE A 5 6.850 0.703 1.706 1.00 62.45 C ATOM 0 H ILE A 5 2.945 0.526 4.188 1.00 25.21 H new ATOM 0 HA ILE A 5 2.854 1.895 1.563 1.00 13.14 H new ATOM 0 HB ILE A 5 4.346 -0.646 2.300 1.00 52.24 H new ATOM 0 HG12 ILE A 5 5.321 2.200 1.792 1.00 64.24 H new ATOM 0 HG13 ILE A 5 5.497 1.270 3.266 1.00 64.24 H new ATOM 0 HG21 ILE A 5 5.265 -0.475 -0.014 1.00 34.31 H new ATOM 0 HG22 ILE A 5 3.497 -0.684 -0.024 1.00 34.31 H new ATOM 0 HG23 ILE A 5 4.205 0.921 -0.324 1.00 34.31 H new ATOM 0 HD11 ILE A 5 7.622 1.392 2.049 1.00 62.45 H new ATOM 0 HD12 ILE A 5 7.042 -0.289 2.114 1.00 62.45 H new ATOM 0 HD13 ILE A 5 6.863 0.656 0.617 1.00 62.45 H new ATOM 99 N LEU A 6 0.725 0.570 1.075 1.00 72.34 N ATOM 100 CA LEU A 6 -0.435 -0.190 0.600 1.00 4.41 C ATOM 101 C LEU A 6 -0.063 -0.864 -0.721 1.00 33.32 C ATOM 102 O LEU A 6 0.181 -0.194 -1.724 1.00 60.13 O ATOM 103 CB LEU A 6 -1.650 0.749 0.353 1.00 22.12 C ATOM 104 CG LEU A 6 -2.192 1.522 1.581 1.00 72.22 C ATOM 105 CD1 LEU A 6 -3.390 2.419 1.198 1.00 64.13 C ATOM 106 CD2 LEU A 6 -2.564 0.562 2.716 1.00 13.43 C ATOM 0 H LEU A 6 0.712 1.549 0.790 1.00 72.34 H new ATOM 0 HA LEU A 6 -0.709 -0.927 1.355 1.00 4.41 H new ATOM 0 HB2 LEU A 6 -1.369 1.475 -0.410 1.00 22.12 H new ATOM 0 HB3 LEU A 6 -2.463 0.152 -0.059 1.00 22.12 H new ATOM 0 HG LEU A 6 -1.394 2.172 1.939 1.00 72.22 H new ATOM 0 HD11 LEU A 6 -3.746 2.947 2.082 1.00 64.13 H new ATOM 0 HD12 LEU A 6 -3.077 3.142 0.445 1.00 64.13 H new ATOM 0 HD13 LEU A 6 -4.193 1.801 0.796 1.00 64.13 H new ATOM 0 HD21 LEU A 6 -2.941 1.132 3.565 1.00 13.43 H new ATOM 0 HD22 LEU A 6 -3.334 -0.128 2.371 1.00 13.43 H new ATOM 0 HD23 LEU A 6 -1.682 -0.001 3.020 1.00 13.43 H new ATOM 118 N ILE A 7 0.036 -2.187 -0.689 1.00 43.31 N ATOM 119 CA ILE A 7 0.263 -2.992 -1.901 1.00 32.41 C ATOM 120 C ILE A 7 -1.021 -3.759 -2.235 1.00 71.12 C ATOM 121 O ILE A 7 -1.500 -4.575 -1.435 1.00 15.10 O ATOM 122 CB ILE A 7 1.465 -3.992 -1.750 1.00 20.43 C ATOM 123 CG1 ILE A 7 2.785 -3.238 -1.392 1.00 65.54 C ATOM 124 CG2 ILE A 7 1.651 -4.825 -3.045 1.00 33.41 C ATOM 125 CD1 ILE A 7 3.319 -2.305 -2.464 1.00 62.53 C ATOM 0 H ILE A 7 -0.037 -2.737 0.167 1.00 43.31 H new ATOM 0 HA ILE A 7 0.525 -2.310 -2.710 1.00 32.41 H new ATOM 0 HB ILE A 7 1.232 -4.672 -0.931 1.00 20.43 H new ATOM 0 HG12 ILE A 7 2.617 -2.660 -0.483 1.00 65.54 H new ATOM 0 HG13 ILE A 7 3.553 -3.976 -1.163 1.00 65.54 H new ATOM 0 HG21 ILE A 7 2.489 -5.511 -2.919 1.00 33.41 H new ATOM 0 HG22 ILE A 7 0.743 -5.394 -3.245 1.00 33.41 H new ATOM 0 HG23 ILE A 7 1.852 -4.156 -3.882 1.00 33.41 H new ATOM 0 HD11 ILE A 7 4.237 -1.834 -2.112 1.00 62.53 H new ATOM 0 HD12 ILE A 7 3.527 -2.874 -3.370 1.00 62.53 H new ATOM 0 HD13 ILE A 7 2.577 -1.537 -2.680 1.00 62.53 H new ATOM 137 N ASN A 8 -1.566 -3.475 -3.423 1.00 44.43 N ATOM 138 CA ASN A 8 -2.760 -4.127 -3.953 1.00 54.45 C ATOM 139 C ASN A 8 -2.441 -4.677 -5.344 1.00 52.43 C ATOM 140 O ASN A 8 -2.241 -3.911 -6.291 1.00 73.42 O ATOM 141 CB ASN A 8 -3.947 -3.132 -4.016 1.00 5.54 C ATOM 142 CG ASN A 8 -5.225 -3.719 -4.636 1.00 11.24 C ATOM 143 OD1 ASN A 8 -5.917 -3.056 -5.408 1.00 25.03 O ATOM 144 ND2 ASN A 8 -5.569 -4.947 -4.272 1.00 44.22 N ATOM 0 H ASN A 8 -1.179 -2.771 -4.052 1.00 44.43 H new ATOM 0 HA ASN A 8 -3.052 -4.945 -3.294 1.00 54.45 H new ATOM 0 HB2 ASN A 8 -4.171 -2.786 -3.007 1.00 5.54 H new ATOM 0 HB3 ASN A 8 -3.644 -2.258 -4.593 1.00 5.54 H new ATOM 0 HD21 ASN A 8 -6.426 -5.365 -4.634 1.00 44.22 H new ATOM 0 HD22 ASN A 8 -4.976 -5.474 -3.630 1.00 44.22 H new ATOM 151 N THR A 9 -2.310 -6.003 -5.438 1.00 15.12 N ATOM 152 CA THR A 9 -2.189 -6.708 -6.721 1.00 11.05 C ATOM 153 C THR A 9 -3.193 -7.862 -6.785 1.00 55.21 C ATOM 154 O THR A 9 -3.534 -8.465 -5.750 1.00 33.13 O ATOM 155 CB THR A 9 -0.741 -7.238 -6.990 1.00 75.45 C ATOM 156 OG1 THR A 9 -0.647 -7.810 -8.301 1.00 64.42 O ATOM 157 CG2 THR A 9 -0.311 -8.286 -5.983 1.00 73.52 C ATOM 0 H THR A 9 -2.285 -6.621 -4.627 1.00 15.12 H new ATOM 0 HA THR A 9 -2.411 -5.982 -7.503 1.00 11.05 H new ATOM 0 HB THR A 9 -0.081 -6.376 -6.900 1.00 75.45 H new ATOM 0 HG1 THR A 9 -1.133 -7.247 -8.939 1.00 64.42 H new ATOM 0 HG21 THR A 9 0.700 -8.620 -6.215 1.00 73.52 H new ATOM 0 HG22 THR A 9 -0.331 -7.857 -4.981 1.00 73.52 H new ATOM 0 HG23 THR A 9 -0.993 -9.135 -6.028 1.00 73.52 H new ATOM 165 N ASN A 10 -3.690 -8.140 -7.997 1.00 20.23 N ATOM 166 CA ASN A 10 -4.523 -9.329 -8.251 1.00 33.01 C ATOM 167 C ASN A 10 -3.620 -10.587 -8.285 1.00 70.40 C ATOM 168 O ASN A 10 -3.983 -11.644 -7.755 1.00 44.33 O ATOM 169 CB ASN A 10 -5.323 -9.150 -9.567 1.00 30.11 C ATOM 170 CG ASN A 10 -6.186 -10.365 -9.934 1.00 12.02 C ATOM 171 OD1 ASN A 10 -7.317 -10.512 -9.470 1.00 21.40 O ATOM 172 ND2 ASN A 10 -5.671 -11.226 -10.796 1.00 54.11 N ATOM 0 H ASN A 10 -3.531 -7.559 -8.820 1.00 20.23 H new ATOM 0 HA ASN A 10 -5.250 -9.455 -7.448 1.00 33.01 H new ATOM 0 HB2 ASN A 10 -5.965 -8.274 -9.475 1.00 30.11 H new ATOM 0 HB3 ASN A 10 -4.626 -8.951 -10.381 1.00 30.11 H new ATOM 0 HD21 ASN A 10 -6.214 -12.037 -11.093 1.00 54.11 H new ATOM 0 HD22 ASN A 10 -4.731 -11.079 -11.164 1.00 54.11 H new ATOM 179 N ASN A 11 -2.418 -10.445 -8.877 1.00 60.25 N ATOM 180 CA ASN A 11 -1.408 -11.526 -8.922 1.00 41.15 C ATOM 181 C ASN A 11 -0.603 -11.557 -7.596 1.00 11.32 C ATOM 182 O ASN A 11 0.478 -10.974 -7.482 1.00 63.51 O ATOM 183 CB ASN A 11 -0.505 -11.396 -10.196 1.00 4.11 C ATOM 184 CG ASN A 11 0.065 -9.985 -10.429 1.00 51.22 C ATOM 185 OD1 ASN A 11 -0.590 -9.133 -11.036 1.00 53.24 O ATOM 186 ND2 ASN A 11 1.280 -9.729 -9.963 1.00 63.21 N ATOM 0 H ASN A 11 -2.119 -9.584 -9.335 1.00 60.25 H new ATOM 0 HA ASN A 11 -1.909 -12.490 -9.009 1.00 41.15 H new ATOM 0 HB2 ASN A 11 0.323 -12.100 -10.113 1.00 4.11 H new ATOM 0 HB3 ASN A 11 -1.086 -11.689 -11.070 1.00 4.11 H new ATOM 0 HD21 ASN A 11 1.696 -8.808 -10.103 1.00 63.21 H new ATOM 0 HD22 ASN A 11 1.798 -10.453 -9.465 1.00 63.21 H new ATOM 193 N ASP A 12 -1.191 -12.253 -6.598 1.00 31.24 N ATOM 194 CA ASP A 12 -0.719 -12.351 -5.182 1.00 23.52 C ATOM 195 C ASP A 12 0.769 -12.722 -5.034 1.00 50.23 C ATOM 196 O ASP A 12 1.419 -12.310 -4.054 1.00 53.24 O ATOM 197 CB ASP A 12 -1.598 -13.406 -4.461 1.00 4.04 C ATOM 198 CG ASP A 12 -1.260 -13.608 -2.973 1.00 12.34 C ATOM 199 OD1 ASP A 12 -1.582 -12.716 -2.170 1.00 21.40 O ATOM 200 OD2 ASP A 12 -0.702 -14.668 -2.597 1.00 24.02 O ATOM 0 H ASP A 12 -2.045 -12.788 -6.755 1.00 31.24 H new ATOM 0 HA ASP A 12 -0.816 -11.361 -4.736 1.00 23.52 H new ATOM 0 HB2 ASP A 12 -2.643 -13.109 -4.546 1.00 4.04 H new ATOM 0 HB3 ASP A 12 -1.495 -14.361 -4.977 1.00 4.04 H new ATOM 205 N GLU A 13 1.290 -13.474 -6.018 1.00 63.31 N ATOM 206 CA GLU A 13 2.687 -13.957 -6.034 1.00 13.50 C ATOM 207 C GLU A 13 3.699 -12.801 -5.910 1.00 34.15 C ATOM 208 O GLU A 13 4.779 -12.967 -5.342 1.00 14.32 O ATOM 209 CB GLU A 13 2.962 -14.760 -7.332 1.00 41.31 C ATOM 210 CG GLU A 13 1.910 -15.845 -7.657 1.00 41.44 C ATOM 211 CD GLU A 13 1.568 -16.759 -6.463 1.00 11.33 C ATOM 212 OE1 GLU A 13 2.454 -17.502 -5.997 1.00 41.13 O ATOM 213 OE2 GLU A 13 0.411 -16.733 -5.987 1.00 4.32 O ATOM 0 H GLU A 13 0.751 -13.768 -6.833 1.00 63.31 H new ATOM 0 HA GLU A 13 2.816 -14.606 -5.168 1.00 13.50 H new ATOM 0 HB2 GLU A 13 3.016 -14.064 -8.169 1.00 41.31 H new ATOM 0 HB3 GLU A 13 3.940 -15.235 -7.249 1.00 41.31 H new ATOM 0 HG2 GLU A 13 0.998 -15.360 -8.004 1.00 41.44 H new ATOM 0 HG3 GLU A 13 2.278 -16.459 -8.479 1.00 41.44 H new ATOM 220 N LEU A 14 3.302 -11.637 -6.445 1.00 20.40 N ATOM 221 CA LEU A 14 4.077 -10.399 -6.393 1.00 15.02 C ATOM 222 C LEU A 14 4.333 -9.947 -4.937 1.00 71.01 C ATOM 223 O LEU A 14 5.475 -9.644 -4.584 1.00 53.52 O ATOM 224 CB LEU A 14 3.324 -9.300 -7.179 1.00 41.30 C ATOM 225 CG LEU A 14 3.931 -7.865 -7.121 1.00 23.14 C ATOM 226 CD1 LEU A 14 5.362 -7.815 -7.691 1.00 51.12 C ATOM 227 CD2 LEU A 14 3.008 -6.851 -7.814 1.00 34.40 C ATOM 0 H LEU A 14 2.414 -11.533 -6.935 1.00 20.40 H new ATOM 0 HA LEU A 14 5.051 -10.577 -6.848 1.00 15.02 H new ATOM 0 HB2 LEU A 14 3.268 -9.605 -8.224 1.00 41.30 H new ATOM 0 HB3 LEU A 14 2.301 -9.253 -6.806 1.00 41.30 H new ATOM 0 HG LEU A 14 4.006 -7.586 -6.070 1.00 23.14 H new ATOM 0 HD11 LEU A 14 5.743 -6.796 -7.629 1.00 51.12 H new ATOM 0 HD12 LEU A 14 6.007 -8.479 -7.115 1.00 51.12 H new ATOM 0 HD13 LEU A 14 5.350 -8.135 -8.733 1.00 51.12 H new ATOM 0 HD21 LEU A 14 3.453 -5.858 -7.760 1.00 34.40 H new ATOM 0 HD22 LEU A 14 2.876 -7.134 -8.858 1.00 34.40 H new ATOM 0 HD23 LEU A 14 2.039 -6.842 -7.316 1.00 34.40 H new ATOM 239 N ILE A 15 3.267 -9.923 -4.093 1.00 60.45 N ATOM 240 CA ILE A 15 3.379 -9.405 -2.709 1.00 64.52 C ATOM 241 C ILE A 15 4.218 -10.348 -1.843 1.00 4.33 C ATOM 242 O ILE A 15 4.941 -9.891 -0.976 1.00 74.24 O ATOM 243 CB ILE A 15 2.007 -9.147 -1.978 1.00 51.55 C ATOM 244 CG1 ILE A 15 1.010 -8.409 -2.898 1.00 23.01 C ATOM 245 CG2 ILE A 15 2.253 -8.307 -0.691 1.00 2.52 C ATOM 246 CD1 ILE A 15 -0.379 -8.155 -2.303 1.00 73.24 C ATOM 0 H ILE A 15 2.335 -10.252 -4.345 1.00 60.45 H new ATOM 0 HA ILE A 15 3.861 -8.434 -2.825 1.00 64.52 H new ATOM 0 HB ILE A 15 1.574 -10.112 -1.715 1.00 51.55 H new ATOM 0 HG12 ILE A 15 1.445 -7.450 -3.180 1.00 23.01 H new ATOM 0 HG13 ILE A 15 0.892 -8.988 -3.814 1.00 23.01 H new ATOM 0 HG21 ILE A 15 1.304 -8.129 -0.186 1.00 2.52 H new ATOM 0 HG22 ILE A 15 2.922 -8.850 -0.024 1.00 2.52 H new ATOM 0 HG23 ILE A 15 2.705 -7.353 -0.960 1.00 2.52 H new ATOM 0 HD11 ILE A 15 -0.997 -7.632 -3.033 1.00 73.24 H new ATOM 0 HD12 ILE A 15 -0.845 -9.107 -2.048 1.00 73.24 H new ATOM 0 HD13 ILE A 15 -0.284 -7.546 -1.404 1.00 73.24 H new ATOM 258 N LYS A 16 4.134 -11.663 -2.117 1.00 24.00 N ATOM 259 CA LYS A 16 4.933 -12.695 -1.410 1.00 41.54 C ATOM 260 C LYS A 16 6.447 -12.381 -1.492 1.00 74.12 C ATOM 261 O LYS A 16 7.216 -12.728 -0.591 1.00 61.21 O ATOM 262 CB LYS A 16 4.618 -14.089 -2.011 1.00 52.14 C ATOM 263 CG LYS A 16 3.131 -14.495 -1.884 1.00 1.30 C ATOM 264 CD LYS A 16 2.756 -15.725 -2.738 1.00 42.33 C ATOM 265 CE LYS A 16 3.487 -17.010 -2.333 1.00 11.11 C ATOM 266 NZ LYS A 16 3.072 -18.158 -3.181 1.00 25.03 N ATOM 0 H LYS A 16 3.514 -12.045 -2.831 1.00 24.00 H new ATOM 0 HA LYS A 16 4.661 -12.694 -0.354 1.00 41.54 H new ATOM 0 HB2 LYS A 16 4.899 -14.093 -3.064 1.00 52.14 H new ATOM 0 HB3 LYS A 16 5.234 -14.838 -1.514 1.00 52.14 H new ATOM 0 HG2 LYS A 16 2.908 -14.706 -0.838 1.00 1.30 H new ATOM 0 HG3 LYS A 16 2.506 -13.653 -2.179 1.00 1.30 H new ATOM 0 HD2 LYS A 16 1.681 -15.892 -2.665 1.00 42.33 H new ATOM 0 HD3 LYS A 16 2.974 -15.509 -3.784 1.00 42.33 H new ATOM 0 HE2 LYS A 16 4.563 -16.861 -2.420 1.00 11.11 H new ATOM 0 HE3 LYS A 16 3.280 -17.234 -1.287 1.00 11.11 H new ATOM 0 HZ1 LYS A 16 3.850 -18.846 -3.238 1.00 25.03 H new ATOM 0 HZ2 LYS A 16 2.236 -18.614 -2.763 1.00 25.03 H new ATOM 0 HZ3 LYS A 16 2.839 -17.818 -4.136 1.00 25.03 H new ATOM 280 N LYS A 17 6.831 -11.689 -2.581 1.00 62.22 N ATOM 281 CA LYS A 17 8.196 -11.197 -2.816 1.00 14.13 C ATOM 282 C LYS A 17 8.418 -9.848 -2.091 1.00 11.31 C ATOM 283 O LYS A 17 9.425 -9.660 -1.401 1.00 40.14 O ATOM 284 CB LYS A 17 8.412 -11.036 -4.337 1.00 45.41 C ATOM 285 CG LYS A 17 8.040 -12.294 -5.159 1.00 41.51 C ATOM 286 CD LYS A 17 8.345 -12.144 -6.663 1.00 62.45 C ATOM 287 CE LYS A 17 9.846 -11.963 -6.951 1.00 42.15 C ATOM 288 NZ LYS A 17 10.114 -11.740 -8.390 1.00 15.42 N ATOM 0 H LYS A 17 6.186 -11.453 -3.335 1.00 62.22 H new ATOM 0 HA LYS A 17 8.916 -11.912 -2.419 1.00 14.13 H new ATOM 0 HB2 LYS A 17 7.818 -10.193 -4.691 1.00 45.41 H new ATOM 0 HB3 LYS A 17 9.457 -10.789 -4.522 1.00 45.41 H new ATOM 0 HG2 LYS A 17 8.586 -13.152 -4.767 1.00 41.51 H new ATOM 0 HG3 LYS A 17 6.979 -12.506 -5.029 1.00 41.51 H new ATOM 0 HD2 LYS A 17 7.982 -13.025 -7.193 1.00 62.45 H new ATOM 0 HD3 LYS A 17 7.798 -11.287 -7.056 1.00 62.45 H new ATOM 0 HE2 LYS A 17 10.226 -11.118 -6.377 1.00 42.15 H new ATOM 0 HE3 LYS A 17 10.388 -12.846 -6.614 1.00 42.15 H new ATOM 0 HZ1 LYS A 17 11.125 -11.539 -8.528 1.00 15.42 H new ATOM 0 HZ2 LYS A 17 9.854 -12.591 -8.928 1.00 15.42 H new ATOM 0 HZ3 LYS A 17 9.552 -10.933 -8.727 1.00 15.42 H new ATOM 302 N ILE A 18 7.429 -8.931 -2.251 1.00 24.43 N ATOM 303 CA ILE A 18 7.435 -7.564 -1.658 1.00 11.45 C ATOM 304 C ILE A 18 7.563 -7.610 -0.116 1.00 51.03 C ATOM 305 O ILE A 18 8.179 -6.730 0.487 1.00 23.31 O ATOM 306 CB ILE A 18 6.134 -6.769 -2.088 1.00 73.34 C ATOM 307 CG1 ILE A 18 6.132 -6.535 -3.636 1.00 51.00 C ATOM 308 CG2 ILE A 18 5.971 -5.430 -1.321 1.00 61.24 C ATOM 309 CD1 ILE A 18 4.903 -5.833 -4.195 1.00 71.23 C ATOM 0 H ILE A 18 6.593 -9.121 -2.803 1.00 24.43 H new ATOM 0 HA ILE A 18 8.310 -7.040 -2.043 1.00 11.45 H new ATOM 0 HB ILE A 18 5.274 -7.383 -1.820 1.00 73.34 H new ATOM 0 HG12 ILE A 18 7.013 -5.949 -3.898 1.00 51.00 H new ATOM 0 HG13 ILE A 18 6.233 -7.501 -4.131 1.00 51.00 H new ATOM 0 HG21 ILE A 18 5.063 -4.927 -1.655 1.00 61.24 H new ATOM 0 HG22 ILE A 18 5.902 -5.629 -0.252 1.00 61.24 H new ATOM 0 HG23 ILE A 18 6.832 -4.791 -1.517 1.00 61.24 H new ATOM 0 HD11 ILE A 18 5.007 -5.723 -5.274 1.00 71.23 H new ATOM 0 HD12 ILE A 18 4.014 -6.424 -3.974 1.00 71.23 H new ATOM 0 HD13 ILE A 18 4.807 -4.849 -3.737 1.00 71.23 H new ATOM 321 N LYS A 19 7.008 -8.670 0.493 1.00 11.45 N ATOM 322 CA LYS A 19 7.075 -8.900 1.940 1.00 63.24 C ATOM 323 C LYS A 19 8.530 -9.104 2.377 1.00 2.21 C ATOM 324 O LYS A 19 8.970 -8.521 3.362 1.00 42.21 O ATOM 325 CB LYS A 19 6.213 -10.121 2.331 1.00 43.05 C ATOM 326 CG LYS A 19 4.690 -9.933 2.113 1.00 52.41 C ATOM 327 CD LYS A 19 3.906 -11.250 2.331 1.00 45.03 C ATOM 328 CE LYS A 19 4.099 -11.817 3.747 1.00 24.22 C ATOM 329 NZ LYS A 19 3.517 -13.169 3.902 1.00 64.43 N ATOM 0 H LYS A 19 6.497 -9.395 -0.011 1.00 11.45 H new ATOM 0 HA LYS A 19 6.680 -8.023 2.453 1.00 63.24 H new ATOM 0 HB2 LYS A 19 6.545 -10.984 1.754 1.00 43.05 H new ATOM 0 HB3 LYS A 19 6.390 -10.353 3.381 1.00 43.05 H new ATOM 0 HG2 LYS A 19 4.317 -9.171 2.798 1.00 52.41 H new ATOM 0 HG3 LYS A 19 4.511 -9.568 1.102 1.00 52.41 H new ATOM 0 HD2 LYS A 19 2.845 -11.072 2.155 1.00 45.03 H new ATOM 0 HD3 LYS A 19 4.231 -11.989 1.599 1.00 45.03 H new ATOM 0 HE2 LYS A 19 5.164 -11.855 3.977 1.00 24.22 H new ATOM 0 HE3 LYS A 19 3.640 -11.143 4.470 1.00 24.22 H new ATOM 0 HZ1 LYS A 19 3.674 -13.505 4.874 1.00 64.43 H new ATOM 0 HZ2 LYS A 19 2.496 -13.131 3.709 1.00 64.43 H new ATOM 0 HZ3 LYS A 19 3.972 -13.822 3.232 1.00 64.43 H new ATOM 343 N LYS A 20 9.278 -9.901 1.592 1.00 15.22 N ATOM 344 CA LYS A 20 10.693 -10.183 1.871 1.00 2.01 C ATOM 345 C LYS A 20 11.530 -8.899 1.709 1.00 72.35 C ATOM 346 O LYS A 20 12.440 -8.646 2.504 1.00 15.22 O ATOM 347 CB LYS A 20 11.233 -11.316 0.949 1.00 65.35 C ATOM 348 CG LYS A 20 10.344 -12.592 0.862 1.00 12.24 C ATOM 349 CD LYS A 20 9.946 -13.198 2.234 1.00 41.30 C ATOM 350 CE LYS A 20 11.146 -13.628 3.099 1.00 3.43 C ATOM 351 NZ LYS A 20 11.966 -14.693 2.461 1.00 3.33 N ATOM 0 H LYS A 20 8.921 -10.362 0.755 1.00 15.22 H new ATOM 0 HA LYS A 20 10.778 -10.529 2.901 1.00 2.01 H new ATOM 0 HB2 LYS A 20 11.359 -10.913 -0.056 1.00 65.35 H new ATOM 0 HB3 LYS A 20 12.222 -11.607 1.302 1.00 65.35 H new ATOM 0 HG2 LYS A 20 9.436 -12.349 0.310 1.00 12.24 H new ATOM 0 HG3 LYS A 20 10.875 -13.350 0.285 1.00 12.24 H new ATOM 0 HD2 LYS A 20 9.357 -12.466 2.786 1.00 41.30 H new ATOM 0 HD3 LYS A 20 9.304 -14.063 2.066 1.00 41.30 H new ATOM 0 HE2 LYS A 20 11.776 -12.760 3.296 1.00 3.43 H new ATOM 0 HE3 LYS A 20 10.784 -13.984 4.063 1.00 3.43 H new ATOM 0 HZ1 LYS A 20 12.758 -14.943 3.087 1.00 3.33 H new ATOM 0 HZ2 LYS A 20 11.376 -15.534 2.297 1.00 3.33 H new ATOM 0 HZ3 LYS A 20 12.337 -14.348 1.553 1.00 3.33 H new ATOM 365 N GLU A 21 11.169 -8.081 0.687 1.00 61.53 N ATOM 366 CA GLU A 21 11.825 -6.784 0.403 1.00 4.41 C ATOM 367 C GLU A 21 11.743 -5.846 1.625 1.00 12.34 C ATOM 368 O GLU A 21 12.761 -5.331 2.105 1.00 73.05 O ATOM 369 CB GLU A 21 11.155 -6.085 -0.819 1.00 53.11 C ATOM 370 CG GLU A 21 11.112 -6.916 -2.118 1.00 72.22 C ATOM 371 CD GLU A 21 12.499 -7.308 -2.642 1.00 63.42 C ATOM 372 OE1 GLU A 21 13.163 -6.457 -3.263 1.00 51.10 O ATOM 373 OE2 GLU A 21 12.932 -8.462 -2.431 1.00 73.22 O ATOM 0 H GLU A 21 10.414 -8.305 0.038 1.00 61.53 H new ATOM 0 HA GLU A 21 12.872 -6.988 0.177 1.00 4.41 H new ATOM 0 HB2 GLU A 21 10.135 -5.816 -0.547 1.00 53.11 H new ATOM 0 HB3 GLU A 21 11.687 -5.155 -1.020 1.00 53.11 H new ATOM 0 HG2 GLU A 21 10.530 -7.821 -1.942 1.00 72.22 H new ATOM 0 HG3 GLU A 21 10.590 -6.346 -2.887 1.00 72.22 H new ATOM 380 N VAL A 22 10.508 -5.680 2.141 1.00 11.52 N ATOM 381 CA VAL A 22 10.213 -4.725 3.220 1.00 20.33 C ATOM 382 C VAL A 22 10.762 -5.210 4.581 1.00 55.33 C ATOM 383 O VAL A 22 11.057 -4.384 5.450 1.00 70.42 O ATOM 384 CB VAL A 22 8.670 -4.422 3.332 1.00 34.32 C ATOM 385 CG1 VAL A 22 8.085 -3.902 1.998 1.00 51.45 C ATOM 386 CG2 VAL A 22 7.884 -5.643 3.850 1.00 32.42 C ATOM 0 H VAL A 22 9.693 -6.203 1.821 1.00 11.52 H new ATOM 0 HA VAL A 22 10.722 -3.797 2.958 1.00 20.33 H new ATOM 0 HB VAL A 22 8.558 -3.625 4.067 1.00 34.32 H new ATOM 0 HG11 VAL A 22 7.020 -3.706 2.120 1.00 51.45 H new ATOM 0 HG12 VAL A 22 8.593 -2.981 1.712 1.00 51.45 H new ATOM 0 HG13 VAL A 22 8.229 -4.652 1.220 1.00 51.45 H new ATOM 0 HG21 VAL A 22 6.825 -5.394 3.913 1.00 32.42 H new ATOM 0 HG22 VAL A 22 8.020 -6.480 3.165 1.00 32.42 H new ATOM 0 HG23 VAL A 22 8.251 -5.919 4.838 1.00 32.42 H new ATOM 396 N GLU A 23 10.888 -6.549 4.754 1.00 72.24 N ATOM 397 CA GLU A 23 11.466 -7.156 5.976 1.00 53.34 C ATOM 398 C GLU A 23 12.926 -6.713 6.192 1.00 64.12 C ATOM 399 O GLU A 23 13.353 -6.549 7.335 1.00 44.32 O ATOM 400 CB GLU A 23 11.374 -8.705 5.925 1.00 41.33 C ATOM 401 CG GLU A 23 9.968 -9.269 6.214 1.00 64.04 C ATOM 402 CD GLU A 23 9.888 -10.789 6.012 1.00 1.34 C ATOM 403 OE1 GLU A 23 10.447 -11.535 6.843 1.00 31.32 O ATOM 404 OE2 GLU A 23 9.270 -11.246 5.030 1.00 21.43 O ATOM 0 H GLU A 23 10.594 -7.232 4.056 1.00 72.24 H new ATOM 0 HA GLU A 23 10.878 -6.801 6.823 1.00 53.34 H new ATOM 0 HB2 GLU A 23 11.692 -9.044 4.939 1.00 41.33 H new ATOM 0 HB3 GLU A 23 12.075 -9.123 6.647 1.00 41.33 H new ATOM 0 HG2 GLU A 23 9.687 -9.027 7.239 1.00 64.04 H new ATOM 0 HG3 GLU A 23 9.244 -8.781 5.562 1.00 64.04 H new ATOM 411 N ASN A 24 13.676 -6.510 5.084 1.00 10.02 N ATOM 412 CA ASN A 24 15.071 -6.005 5.139 1.00 5.23 C ATOM 413 C ASN A 24 15.117 -4.584 5.742 1.00 4.52 C ATOM 414 O ASN A 24 16.068 -4.230 6.443 1.00 1.12 O ATOM 415 CB ASN A 24 15.738 -6.000 3.732 1.00 21.33 C ATOM 416 CG ASN A 24 15.936 -7.399 3.146 1.00 43.41 C ATOM 417 OD1 ASN A 24 16.931 -8.073 3.426 1.00 53.41 O ATOM 418 ND2 ASN A 24 15.019 -7.834 2.305 1.00 43.32 N ATOM 0 H ASN A 24 13.339 -6.688 4.138 1.00 10.02 H new ATOM 0 HA ASN A 24 15.632 -6.685 5.780 1.00 5.23 H new ATOM 0 HB2 ASN A 24 15.124 -5.412 3.050 1.00 21.33 H new ATOM 0 HB3 ASN A 24 16.705 -5.502 3.799 1.00 21.33 H new ATOM 0 HD21 ASN A 24 15.122 -8.749 1.867 1.00 43.32 H new ATOM 0 HD22 ASN A 24 14.207 -7.255 2.092 1.00 43.32 H new ATOM 425 N GLN A 25 14.067 -3.786 5.463 1.00 11.22 N ATOM 426 CA GLN A 25 13.966 -2.382 5.920 1.00 54.21 C ATOM 427 C GLN A 25 13.188 -2.271 7.255 1.00 51.33 C ATOM 428 O GLN A 25 13.001 -1.169 7.781 1.00 55.32 O ATOM 429 CB GLN A 25 13.306 -1.523 4.807 1.00 44.01 C ATOM 430 CG GLN A 25 13.989 -1.645 3.425 1.00 4.41 C ATOM 431 CD GLN A 25 15.482 -1.266 3.418 1.00 35.41 C ATOM 432 OE1 GLN A 25 15.933 -0.399 4.175 1.00 20.11 O ATOM 433 NE2 GLN A 25 16.262 -1.920 2.572 1.00 13.22 N ATOM 0 H GLN A 25 13.264 -4.095 4.915 1.00 11.22 H new ATOM 0 HA GLN A 25 14.970 -2.003 6.111 1.00 54.21 H new ATOM 0 HB2 GLN A 25 12.260 -1.815 4.710 1.00 44.01 H new ATOM 0 HB3 GLN A 25 13.318 -0.477 5.115 1.00 44.01 H new ATOM 0 HG2 GLN A 25 13.885 -2.671 3.071 1.00 4.41 H new ATOM 0 HG3 GLN A 25 13.462 -1.008 2.715 1.00 4.41 H new ATOM 0 HE21 GLN A 25 15.865 -2.631 1.958 1.00 13.22 H new ATOM 0 HE22 GLN A 25 17.260 -1.713 2.534 1.00 13.22 H new ATOM 442 N GLY A 26 12.728 -3.428 7.776 1.00 10.20 N ATOM 443 CA GLY A 26 12.134 -3.519 9.111 1.00 3.42 C ATOM 444 C GLY A 26 10.659 -3.143 9.161 1.00 71.42 C ATOM 445 O GLY A 26 10.211 -2.497 10.119 1.00 72.45 O ATOM 0 H GLY A 26 12.761 -4.318 7.279 1.00 10.20 H new ATOM 0 HA2 GLY A 26 12.251 -4.538 9.481 1.00 3.42 H new ATOM 0 HA3 GLY A 26 12.687 -2.868 9.788 1.00 3.42 H new ATOM 449 N TYR A 27 9.902 -3.525 8.120 1.00 51.33 N ATOM 450 CA TYR A 27 8.435 -3.351 8.094 1.00 3.12 C ATOM 451 C TYR A 27 7.735 -4.567 8.718 1.00 71.13 C ATOM 452 O TYR A 27 8.117 -5.718 8.464 1.00 75.15 O ATOM 453 CB TYR A 27 7.897 -3.155 6.653 1.00 75.20 C ATOM 454 CG TYR A 27 8.221 -1.799 6.011 1.00 3.34 C ATOM 455 CD1 TYR A 27 9.500 -1.507 5.546 1.00 32.42 C ATOM 456 CD2 TYR A 27 7.236 -0.819 5.862 1.00 33.41 C ATOM 457 CE1 TYR A 27 9.781 -0.297 4.957 1.00 4.34 C ATOM 458 CE2 TYR A 27 7.517 0.392 5.278 1.00 61.22 C ATOM 459 CZ TYR A 27 8.790 0.647 4.828 1.00 60.54 C ATOM 460 OH TYR A 27 9.076 1.854 4.241 1.00 52.44 O ATOM 0 H TYR A 27 10.282 -3.959 7.279 1.00 51.33 H new ATOM 0 HA TYR A 27 8.217 -2.454 8.673 1.00 3.12 H new ATOM 0 HB2 TYR A 27 8.303 -3.944 6.021 1.00 75.20 H new ATOM 0 HB3 TYR A 27 6.815 -3.283 6.666 1.00 75.20 H new ATOM 0 HD1 TYR A 27 10.284 -2.243 5.650 1.00 32.42 H new ATOM 0 HD2 TYR A 27 6.234 -1.018 6.213 1.00 33.41 H new ATOM 0 HE1 TYR A 27 10.778 -0.089 4.597 1.00 4.34 H new ATOM 0 HE2 TYR A 27 6.743 1.138 5.173 1.00 61.22 H new ATOM 0 HH TYR A 27 8.269 2.409 4.225 1.00 52.44 H new ATOM 470 N GLN A 28 6.716 -4.277 9.530 1.00 30.42 N ATOM 471 CA GLN A 28 5.749 -5.260 10.009 1.00 60.51 C ATOM 472 C GLN A 28 4.703 -5.486 8.903 1.00 21.45 C ATOM 473 O GLN A 28 3.977 -4.559 8.544 1.00 52.31 O ATOM 474 CB GLN A 28 5.068 -4.712 11.291 1.00 20.34 C ATOM 475 CG GLN A 28 3.932 -5.583 11.870 1.00 53.20 C ATOM 476 CD GLN A 28 3.194 -4.931 13.046 1.00 52.33 C ATOM 477 OE1 GLN A 28 2.726 -5.616 13.960 1.00 75.20 O ATOM 478 NE2 GLN A 28 3.044 -3.605 13.021 1.00 64.43 N ATOM 0 H GLN A 28 6.539 -3.335 9.878 1.00 30.42 H new ATOM 0 HA GLN A 28 6.239 -6.205 10.246 1.00 60.51 H new ATOM 0 HB2 GLN A 28 5.831 -4.584 12.059 1.00 20.34 H new ATOM 0 HB3 GLN A 28 4.667 -3.722 11.073 1.00 20.34 H new ATOM 0 HG2 GLN A 28 3.215 -5.802 11.079 1.00 53.20 H new ATOM 0 HG3 GLN A 28 4.347 -6.536 12.197 1.00 53.20 H new ATOM 0 HE21 GLN A 28 3.440 -3.061 12.254 1.00 64.43 H new ATOM 0 HE22 GLN A 28 2.533 -3.135 13.769 1.00 64.43 H new ATOM 487 N VAL A 29 4.655 -6.703 8.341 1.00 34.44 N ATOM 488 CA VAL A 29 3.664 -7.055 7.312 1.00 15.15 C ATOM 489 C VAL A 29 2.335 -7.435 7.994 1.00 51.41 C ATOM 490 O VAL A 29 2.311 -8.277 8.896 1.00 54.04 O ATOM 491 CB VAL A 29 4.140 -8.226 6.374 1.00 53.14 C ATOM 492 CG1 VAL A 29 3.084 -8.506 5.270 1.00 33.13 C ATOM 493 CG2 VAL A 29 5.529 -7.915 5.758 1.00 14.55 C ATOM 0 H VAL A 29 5.292 -7.462 8.582 1.00 34.44 H new ATOM 0 HA VAL A 29 3.532 -6.180 6.676 1.00 15.15 H new ATOM 0 HB VAL A 29 4.242 -9.128 6.978 1.00 53.14 H new ATOM 0 HG11 VAL A 29 3.431 -9.319 4.632 1.00 33.13 H new ATOM 0 HG12 VAL A 29 2.139 -8.788 5.734 1.00 33.13 H new ATOM 0 HG13 VAL A 29 2.940 -7.609 4.668 1.00 33.13 H new ATOM 0 HG21 VAL A 29 5.834 -8.740 5.114 1.00 14.55 H new ATOM 0 HG22 VAL A 29 5.470 -6.999 5.170 1.00 14.55 H new ATOM 0 HG23 VAL A 29 6.261 -7.787 6.556 1.00 14.55 H new ATOM 503 N ARG A 30 1.259 -6.790 7.558 1.00 2.22 N ATOM 504 CA ARG A 30 -0.098 -6.996 8.058 1.00 51.03 C ATOM 505 C ARG A 30 -1.027 -7.142 6.843 1.00 34.13 C ATOM 506 O ARG A 30 -1.127 -6.228 6.025 1.00 34.12 O ATOM 507 CB ARG A 30 -0.497 -5.789 8.942 1.00 1.33 C ATOM 508 CG ARG A 30 -1.955 -5.770 9.445 1.00 21.30 C ATOM 509 CD ARG A 30 -2.289 -6.824 10.525 1.00 5.54 C ATOM 510 NE ARG A 30 -2.277 -8.223 10.043 1.00 74.34 N ATOM 511 CZ ARG A 30 -3.327 -8.869 9.493 1.00 51.31 C ATOM 512 NH1 ARG A 30 -4.501 -8.266 9.308 1.00 22.05 N ATOM 513 NH2 ARG A 30 -3.186 -10.124 9.092 1.00 30.11 N ATOM 0 H ARG A 30 1.307 -6.085 6.822 1.00 2.22 H new ATOM 0 HA ARG A 30 -0.171 -7.895 8.670 1.00 51.03 H new ATOM 0 HB2 ARG A 30 0.165 -5.764 9.808 1.00 1.33 H new ATOM 0 HB3 ARG A 30 -0.317 -4.875 8.376 1.00 1.33 H new ATOM 0 HG2 ARG A 30 -2.172 -4.780 9.846 1.00 21.30 H new ATOM 0 HG3 ARG A 30 -2.619 -5.921 8.594 1.00 21.30 H new ATOM 0 HD2 ARG A 30 -1.573 -6.728 11.341 1.00 5.54 H new ATOM 0 HD3 ARG A 30 -3.274 -6.604 10.937 1.00 5.54 H new ATOM 0 HE ARG A 30 -1.404 -8.742 10.134 1.00 74.34 H new ATOM 0 HH11 ARG A 30 -4.623 -7.292 9.584 1.00 22.05 H new ATOM 0 HH12 ARG A 30 -5.277 -8.779 8.890 1.00 22.05 H new ATOM 0 HH21 ARG A 30 -2.288 -10.596 9.200 1.00 30.11 H new ATOM 0 HH22 ARG A 30 -3.975 -10.618 8.676 1.00 30.11 H new ATOM 527 N ASP A 31 -1.678 -8.307 6.729 1.00 20.44 N ATOM 528 CA ASP A 31 -2.424 -8.711 5.522 1.00 12.21 C ATOM 529 C ASP A 31 -3.947 -8.727 5.753 1.00 33.04 C ATOM 530 O ASP A 31 -4.472 -9.518 6.547 1.00 1.11 O ATOM 531 CB ASP A 31 -1.913 -10.093 5.022 1.00 32.11 C ATOM 532 CG ASP A 31 -1.902 -11.205 6.090 1.00 2.03 C ATOM 533 OD1 ASP A 31 -1.113 -11.109 7.046 1.00 62.41 O ATOM 534 OD2 ASP A 31 -2.645 -12.195 5.961 1.00 24.40 O ATOM 0 H ASP A 31 -1.704 -9.003 7.474 1.00 20.44 H new ATOM 0 HA ASP A 31 -2.239 -7.965 4.749 1.00 12.21 H new ATOM 0 HB2 ASP A 31 -2.537 -10.415 4.189 1.00 32.11 H new ATOM 0 HB3 ASP A 31 -0.902 -9.972 4.634 1.00 32.11 H new ATOM 539 N VAL A 32 -4.642 -7.824 5.041 1.00 40.23 N ATOM 540 CA VAL A 32 -6.105 -7.741 5.026 1.00 14.42 C ATOM 541 C VAL A 32 -6.683 -8.920 4.208 1.00 62.42 C ATOM 542 O VAL A 32 -6.510 -8.983 2.983 1.00 2.44 O ATOM 543 CB VAL A 32 -6.617 -6.381 4.394 1.00 30.43 C ATOM 544 CG1 VAL A 32 -8.114 -6.152 4.701 1.00 13.21 C ATOM 545 CG2 VAL A 32 -5.777 -5.172 4.846 1.00 12.54 C ATOM 0 H VAL A 32 -4.193 -7.123 4.452 1.00 40.23 H new ATOM 0 HA VAL A 32 -6.445 -7.786 6.061 1.00 14.42 H new ATOM 0 HB VAL A 32 -6.496 -6.472 3.315 1.00 30.43 H new ATOM 0 HG11 VAL A 32 -8.437 -5.211 4.255 1.00 13.21 H new ATOM 0 HG12 VAL A 32 -8.700 -6.971 4.285 1.00 13.21 H new ATOM 0 HG13 VAL A 32 -8.262 -6.111 5.780 1.00 13.21 H new ATOM 0 HG21 VAL A 32 -6.168 -4.265 4.386 1.00 12.54 H new ATOM 0 HG22 VAL A 32 -5.827 -5.079 5.931 1.00 12.54 H new ATOM 0 HG23 VAL A 32 -4.740 -5.315 4.542 1.00 12.54 H new ATOM 555 N ASN A 33 -7.334 -9.863 4.904 1.00 74.53 N ATOM 556 CA ASN A 33 -8.072 -10.992 4.282 1.00 51.42 C ATOM 557 C ASN A 33 -9.581 -10.696 4.267 1.00 15.12 C ATOM 558 O ASN A 33 -10.317 -11.197 3.417 1.00 32.44 O ATOM 559 CB ASN A 33 -7.818 -12.308 5.070 1.00 5.33 C ATOM 560 CG ASN A 33 -6.350 -12.729 5.098 1.00 43.42 C ATOM 561 OD1 ASN A 33 -5.890 -13.489 4.246 1.00 64.23 O ATOM 562 ND2 ASN A 33 -5.599 -12.238 6.074 1.00 4.32 N ATOM 0 H ASN A 33 -7.369 -9.871 5.923 1.00 74.53 H new ATOM 0 HA ASN A 33 -7.714 -11.111 3.259 1.00 51.42 H new ATOM 0 HB2 ASN A 33 -8.171 -12.183 6.094 1.00 5.33 H new ATOM 0 HB3 ASN A 33 -8.409 -13.108 4.624 1.00 5.33 H new ATOM 0 HD21 ASN A 33 -4.612 -12.488 6.133 1.00 4.32 H new ATOM 0 HD22 ASN A 33 -6.008 -11.610 6.766 1.00 4.32 H new ATOM 569 N ASP A 34 -10.015 -9.867 5.228 1.00 21.31 N ATOM 570 CA ASP A 34 -11.438 -9.598 5.504 1.00 44.31 C ATOM 571 C ASP A 34 -11.642 -8.137 5.925 1.00 13.23 C ATOM 572 O ASP A 34 -10.681 -7.401 6.161 1.00 12.22 O ATOM 573 CB ASP A 34 -11.958 -10.542 6.638 1.00 41.43 C ATOM 574 CG ASP A 34 -12.250 -11.978 6.167 1.00 41.01 C ATOM 575 OD1 ASP A 34 -13.371 -12.227 5.669 1.00 74.02 O ATOM 576 OD2 ASP A 34 -11.367 -12.858 6.292 1.00 5.45 O ATOM 0 H ASP A 34 -9.382 -9.357 5.844 1.00 21.31 H new ATOM 0 HA ASP A 34 -12.001 -9.785 4.590 1.00 44.31 H new ATOM 0 HB2 ASP A 34 -11.218 -10.575 7.438 1.00 41.43 H new ATOM 0 HB3 ASP A 34 -12.867 -10.117 7.063 1.00 41.43 H new ATOM 581 N SER A 35 -12.923 -7.753 6.054 1.00 64.04 N ATOM 582 CA SER A 35 -13.333 -6.446 6.591 1.00 72.42 C ATOM 583 C SER A 35 -13.018 -6.368 8.096 1.00 50.22 C ATOM 584 O SER A 35 -12.735 -5.285 8.620 1.00 74.33 O ATOM 585 CB SER A 35 -14.839 -6.224 6.331 1.00 64.52 C ATOM 586 OG SER A 35 -15.124 -6.281 4.938 1.00 4.32 O ATOM 0 H SER A 35 -13.709 -8.346 5.786 1.00 64.04 H new ATOM 0 HA SER A 35 -12.774 -5.658 6.086 1.00 72.42 H new ATOM 0 HB2 SER A 35 -15.419 -6.982 6.857 1.00 64.52 H new ATOM 0 HB3 SER A 35 -15.143 -5.256 6.730 1.00 64.52 H new ATOM 0 HG SER A 35 -16.083 -6.140 4.794 1.00 4.32 H new ATOM 592 N ASP A 36 -13.060 -7.541 8.772 1.00 75.34 N ATOM 593 CA ASP A 36 -12.675 -7.676 10.189 1.00 64.20 C ATOM 594 C ASP A 36 -11.173 -7.426 10.358 1.00 25.12 C ATOM 595 O ASP A 36 -10.777 -6.692 11.260 1.00 4.15 O ATOM 596 CB ASP A 36 -13.070 -9.065 10.758 1.00 21.10 C ATOM 597 CG ASP A 36 -14.590 -9.230 10.901 1.00 32.24 C ATOM 598 OD1 ASP A 36 -15.173 -8.625 11.828 1.00 11.11 O ATOM 599 OD2 ASP A 36 -15.216 -9.933 10.083 1.00 55.34 O ATOM 0 H ASP A 36 -13.362 -8.417 8.346 1.00 75.34 H new ATOM 0 HA ASP A 36 -13.221 -6.924 10.758 1.00 64.20 H new ATOM 0 HB2 ASP A 36 -12.683 -9.846 10.103 1.00 21.10 H new ATOM 0 HB3 ASP A 36 -12.599 -9.203 11.731 1.00 21.10 H new ATOM 604 N GLU A 37 -10.361 -8.025 9.454 1.00 73.02 N ATOM 605 CA GLU A 37 -8.897 -7.791 9.384 1.00 43.13 C ATOM 606 C GLU A 37 -8.609 -6.289 9.260 1.00 24.13 C ATOM 607 O GLU A 37 -7.840 -5.741 10.048 1.00 1.31 O ATOM 608 CB GLU A 37 -8.286 -8.541 8.168 1.00 14.41 C ATOM 609 CG GLU A 37 -8.307 -10.081 8.272 1.00 50.15 C ATOM 610 CD GLU A 37 -7.213 -10.646 9.197 1.00 2.43 C ATOM 611 OE1 GLU A 37 -6.065 -10.815 8.735 1.00 51.35 O ATOM 612 OE2 GLU A 37 -7.493 -10.930 10.379 1.00 35.41 O ATOM 0 H GLU A 37 -10.701 -8.683 8.753 1.00 73.02 H new ATOM 0 HA GLU A 37 -8.442 -8.171 10.299 1.00 43.13 H new ATOM 0 HB2 GLU A 37 -8.827 -8.245 7.269 1.00 14.41 H new ATOM 0 HB3 GLU A 37 -7.254 -8.215 8.041 1.00 14.41 H new ATOM 0 HG2 GLU A 37 -9.283 -10.400 8.639 1.00 50.15 H new ATOM 0 HG3 GLU A 37 -8.186 -10.507 7.276 1.00 50.15 H new ATOM 619 N LEU A 38 -9.326 -5.655 8.299 1.00 3.33 N ATOM 620 CA LEU A 38 -9.174 -4.235 7.950 1.00 22.34 C ATOM 621 C LEU A 38 -9.339 -3.328 9.179 1.00 73.52 C ATOM 622 O LEU A 38 -8.418 -2.602 9.535 1.00 32.34 O ATOM 623 CB LEU A 38 -10.201 -3.839 6.852 1.00 31.23 C ATOM 624 CG LEU A 38 -10.063 -2.386 6.279 1.00 32.54 C ATOM 625 CD1 LEU A 38 -8.705 -2.187 5.582 1.00 45.33 C ATOM 626 CD2 LEU A 38 -11.230 -2.040 5.327 1.00 54.13 C ATOM 0 H LEU A 38 -10.035 -6.130 7.741 1.00 3.33 H new ATOM 0 HA LEU A 38 -8.164 -4.095 7.566 1.00 22.34 H new ATOM 0 HB2 LEU A 38 -10.111 -4.545 6.026 1.00 31.23 H new ATOM 0 HB3 LEU A 38 -11.205 -3.954 7.262 1.00 31.23 H new ATOM 0 HG LEU A 38 -10.110 -1.698 7.123 1.00 32.54 H new ATOM 0 HD11 LEU A 38 -8.640 -1.170 5.195 1.00 45.33 H new ATOM 0 HD12 LEU A 38 -7.900 -2.355 6.298 1.00 45.33 H new ATOM 0 HD13 LEU A 38 -8.612 -2.895 4.758 1.00 45.33 H new ATOM 0 HD21 LEU A 38 -11.102 -1.026 4.948 1.00 54.13 H new ATOM 0 HD22 LEU A 38 -11.238 -2.741 4.492 1.00 54.13 H new ATOM 0 HD23 LEU A 38 -12.174 -2.109 5.868 1.00 54.13 H new ATOM 638 N LYS A 39 -10.507 -3.407 9.849 1.00 22.44 N ATOM 639 CA LYS A 39 -10.821 -2.508 10.973 1.00 52.24 C ATOM 640 C LYS A 39 -9.883 -2.767 12.176 1.00 3.05 C ATOM 641 O LYS A 39 -9.360 -1.811 12.741 1.00 61.04 O ATOM 642 CB LYS A 39 -12.342 -2.562 11.338 1.00 64.54 C ATOM 643 CG LYS A 39 -12.935 -3.964 11.658 1.00 30.21 C ATOM 644 CD LYS A 39 -12.875 -4.351 13.151 1.00 75.52 C ATOM 645 CE LYS A 39 -13.377 -5.785 13.409 1.00 0.45 C ATOM 646 NZ LYS A 39 -14.770 -6.008 12.938 1.00 4.10 N ATOM 0 H LYS A 39 -11.242 -4.080 9.632 1.00 22.44 H new ATOM 0 HA LYS A 39 -10.628 -1.482 10.660 1.00 52.24 H new ATOM 0 HB2 LYS A 39 -12.508 -1.918 12.201 1.00 64.54 H new ATOM 0 HB3 LYS A 39 -12.906 -2.135 10.509 1.00 64.54 H new ATOM 0 HG2 LYS A 39 -13.974 -3.990 11.329 1.00 30.21 H new ATOM 0 HG3 LYS A 39 -12.398 -4.714 11.078 1.00 30.21 H new ATOM 0 HD2 LYS A 39 -11.848 -4.259 13.506 1.00 75.52 H new ATOM 0 HD3 LYS A 39 -13.476 -3.649 13.729 1.00 75.52 H new ATOM 0 HE2 LYS A 39 -12.713 -6.491 12.910 1.00 0.45 H new ATOM 0 HE3 LYS A 39 -13.322 -5.996 14.477 1.00 0.45 H new ATOM 0 HZ1 LYS A 39 -15.368 -6.285 13.742 1.00 4.10 H new ATOM 0 HZ2 LYS A 39 -15.139 -5.131 12.517 1.00 4.10 H new ATOM 0 HZ3 LYS A 39 -14.778 -6.764 12.224 1.00 4.10 H new ATOM 660 N LYS A 40 -9.601 -4.062 12.491 1.00 60.01 N ATOM 661 CA LYS A 40 -8.729 -4.434 13.641 1.00 11.21 C ATOM 662 C LYS A 40 -7.338 -3.790 13.518 1.00 4.23 C ATOM 663 O LYS A 40 -6.827 -3.214 14.485 1.00 2.25 O ATOM 664 CB LYS A 40 -8.571 -5.980 13.778 1.00 32.45 C ATOM 665 CG LYS A 40 -9.836 -6.743 14.238 1.00 23.44 C ATOM 666 CD LYS A 40 -10.347 -6.323 15.637 1.00 50.20 C ATOM 667 CE LYS A 40 -9.353 -6.627 16.771 1.00 42.13 C ATOM 668 NZ LYS A 40 -9.900 -6.230 18.093 1.00 3.20 N ATOM 0 H LYS A 40 -9.962 -4.860 11.969 1.00 60.01 H new ATOM 0 HA LYS A 40 -9.222 -4.056 14.536 1.00 11.21 H new ATOM 0 HB2 LYS A 40 -8.256 -6.382 12.815 1.00 32.45 H new ATOM 0 HB3 LYS A 40 -7.768 -6.184 14.486 1.00 32.45 H new ATOM 0 HG2 LYS A 40 -10.630 -6.583 13.509 1.00 23.44 H new ATOM 0 HG3 LYS A 40 -9.621 -7.812 14.246 1.00 23.44 H new ATOM 0 HD2 LYS A 40 -10.563 -5.255 15.630 1.00 50.20 H new ATOM 0 HD3 LYS A 40 -11.287 -6.837 15.841 1.00 50.20 H new ATOM 0 HE2 LYS A 40 -9.120 -7.692 16.777 1.00 42.13 H new ATOM 0 HE3 LYS A 40 -8.418 -6.097 16.589 1.00 42.13 H new ATOM 0 HZ1 LYS A 40 -9.206 -6.448 18.836 1.00 3.20 H new ATOM 0 HZ2 LYS A 40 -10.099 -5.209 18.094 1.00 3.20 H new ATOM 0 HZ3 LYS A 40 -10.779 -6.754 18.276 1.00 3.20 H new ATOM 682 N GLU A 41 -6.745 -3.876 12.316 1.00 0.23 N ATOM 683 CA GLU A 41 -5.411 -3.318 12.062 1.00 1.34 C ATOM 684 C GLU A 41 -5.468 -1.788 11.971 1.00 43.14 C ATOM 685 O GLU A 41 -4.487 -1.132 12.293 1.00 14.02 O ATOM 686 CB GLU A 41 -4.779 -3.941 10.795 1.00 53.13 C ATOM 687 CG GLU A 41 -5.487 -3.623 9.467 1.00 11.34 C ATOM 688 CD GLU A 41 -4.985 -4.484 8.300 1.00 32.41 C ATOM 689 OE1 GLU A 41 -5.360 -5.685 8.235 1.00 71.14 O ATOM 690 OE2 GLU A 41 -4.189 -3.990 7.475 1.00 2.13 O ATOM 0 H GLU A 41 -7.170 -4.327 11.506 1.00 0.23 H new ATOM 0 HA GLU A 41 -4.769 -3.575 12.905 1.00 1.34 H new ATOM 0 HB2 GLU A 41 -3.745 -3.603 10.724 1.00 53.13 H new ATOM 0 HB3 GLU A 41 -4.752 -5.023 10.920 1.00 53.13 H new ATOM 0 HG2 GLU A 41 -6.560 -3.774 9.588 1.00 11.34 H new ATOM 0 HG3 GLU A 41 -5.339 -2.571 9.225 1.00 11.34 H new ATOM 697 N MET A 42 -6.635 -1.220 11.573 1.00 31.41 N ATOM 698 CA MET A 42 -6.822 0.247 11.513 1.00 31.43 C ATOM 699 C MET A 42 -6.892 0.881 12.916 1.00 50.11 C ATOM 700 O MET A 42 -6.666 2.086 13.051 1.00 13.51 O ATOM 701 CB MET A 42 -8.043 0.660 10.651 1.00 43.42 C ATOM 702 CG MET A 42 -7.873 0.417 9.135 1.00 63.20 C ATOM 703 SD MET A 42 -8.865 1.541 8.139 1.00 44.10 S ATOM 704 CE MET A 42 -8.062 3.104 8.515 1.00 12.42 C ATOM 0 H MET A 42 -7.456 -1.756 11.291 1.00 31.41 H new ATOM 0 HA MET A 42 -5.935 0.641 11.017 1.00 31.43 H new ATOM 0 HB2 MET A 42 -8.918 0.110 10.998 1.00 43.42 H new ATOM 0 HB3 MET A 42 -8.246 1.718 10.815 1.00 43.42 H new ATOM 0 HG2 MET A 42 -6.822 0.531 8.868 1.00 63.20 H new ATOM 0 HG3 MET A 42 -8.151 -0.611 8.902 1.00 63.20 H new ATOM 0 HE1 MET A 42 -7.978 3.698 7.605 1.00 12.42 H new ATOM 0 HE2 MET A 42 -8.653 3.649 9.251 1.00 12.42 H new ATOM 0 HE3 MET A 42 -7.067 2.914 8.917 1.00 12.42 H new ATOM 714 N LYS A 43 -7.221 0.073 13.955 1.00 32.50 N ATOM 715 CA LYS A 43 -6.997 0.473 15.369 1.00 72.05 C ATOM 716 C LYS A 43 -5.489 0.723 15.576 1.00 62.43 C ATOM 717 O LYS A 43 -5.080 1.764 16.092 1.00 31.41 O ATOM 718 CB LYS A 43 -7.514 -0.611 16.380 1.00 52.15 C ATOM 719 CG LYS A 43 -9.019 -0.557 16.780 1.00 45.02 C ATOM 720 CD LYS A 43 -10.033 -0.915 15.660 1.00 22.35 C ATOM 721 CE LYS A 43 -10.434 0.268 14.756 1.00 40.24 C ATOM 722 NZ LYS A 43 -11.088 1.358 15.514 1.00 5.44 N ATOM 0 H LYS A 43 -7.638 -0.851 13.843 1.00 32.50 H new ATOM 0 HA LYS A 43 -7.564 1.382 15.566 1.00 72.05 H new ATOM 0 HB2 LYS A 43 -7.314 -1.593 15.952 1.00 52.15 H new ATOM 0 HB3 LYS A 43 -6.920 -0.533 17.291 1.00 52.15 H new ATOM 0 HG2 LYS A 43 -9.177 -1.237 17.617 1.00 45.02 H new ATOM 0 HG3 LYS A 43 -9.244 0.447 17.139 1.00 45.02 H new ATOM 0 HD2 LYS A 43 -9.605 -1.702 15.038 1.00 22.35 H new ATOM 0 HD3 LYS A 43 -10.932 -1.325 16.120 1.00 22.35 H new ATOM 0 HE2 LYS A 43 -9.547 0.657 14.256 1.00 40.24 H new ATOM 0 HE3 LYS A 43 -11.109 -0.086 13.977 1.00 40.24 H new ATOM 0 HZ1 LYS A 43 -11.504 2.042 14.850 1.00 5.44 H new ATOM 0 HZ2 LYS A 43 -11.837 0.961 16.117 1.00 5.44 H new ATOM 0 HZ3 LYS A 43 -10.383 1.839 16.109 1.00 5.44 H new ATOM 736 N LYS A 44 -4.684 -0.239 15.091 1.00 12.22 N ATOM 737 CA LYS A 44 -3.211 -0.225 15.194 1.00 22.42 C ATOM 738 C LYS A 44 -2.545 0.806 14.266 1.00 43.22 C ATOM 739 O LYS A 44 -1.340 1.046 14.386 1.00 72.21 O ATOM 740 CB LYS A 44 -2.645 -1.661 14.893 1.00 45.21 C ATOM 741 CG LYS A 44 -2.573 -2.610 16.111 1.00 75.31 C ATOM 742 CD LYS A 44 -1.641 -2.057 17.221 1.00 73.51 C ATOM 743 CE LYS A 44 -0.222 -1.717 16.703 1.00 13.14 C ATOM 744 NZ LYS A 44 0.565 -0.965 17.706 1.00 72.15 N ATOM 0 H LYS A 44 -5.043 -1.062 14.608 1.00 12.22 H new ATOM 0 HA LYS A 44 -2.969 0.073 16.214 1.00 22.42 H new ATOM 0 HB2 LYS A 44 -3.266 -2.126 14.127 1.00 45.21 H new ATOM 0 HB3 LYS A 44 -1.644 -1.559 14.473 1.00 45.21 H new ATOM 0 HG2 LYS A 44 -3.574 -2.756 16.517 1.00 75.31 H new ATOM 0 HG3 LYS A 44 -2.214 -3.587 15.789 1.00 75.31 H new ATOM 0 HD2 LYS A 44 -2.089 -1.162 17.652 1.00 73.51 H new ATOM 0 HD3 LYS A 44 -1.563 -2.792 18.022 1.00 73.51 H new ATOM 0 HE2 LYS A 44 0.302 -2.638 16.447 1.00 13.14 H new ATOM 0 HE3 LYS A 44 -0.300 -1.130 15.788 1.00 13.14 H new ATOM 0 HZ1 LYS A 44 1.525 -0.801 17.342 1.00 72.15 H new ATOM 0 HZ2 LYS A 44 0.105 -0.051 17.894 1.00 72.15 H new ATOM 0 HZ3 LYS A 44 0.619 -1.514 18.588 1.00 72.15 H new ATOM 758 N LEU A 45 -3.287 1.331 13.285 1.00 20.12 N ATOM 759 CA LEU A 45 -2.803 2.426 12.428 1.00 22.10 C ATOM 760 C LEU A 45 -3.110 3.800 13.069 1.00 22.34 C ATOM 761 O LEU A 45 -2.272 4.710 13.047 1.00 32.43 O ATOM 762 CB LEU A 45 -3.443 2.319 11.010 1.00 63.25 C ATOM 763 CG LEU A 45 -3.310 0.932 10.294 1.00 52.15 C ATOM 764 CD1 LEU A 45 -3.974 0.934 8.904 1.00 10.51 C ATOM 765 CD2 LEU A 45 -1.844 0.446 10.234 1.00 44.31 C ATOM 0 H LEU A 45 -4.231 1.015 13.062 1.00 20.12 H new ATOM 0 HA LEU A 45 -1.721 2.338 12.327 1.00 22.10 H new ATOM 0 HB2 LEU A 45 -4.502 2.561 11.093 1.00 63.25 H new ATOM 0 HB3 LEU A 45 -2.991 3.079 10.372 1.00 63.25 H new ATOM 0 HG LEU A 45 -3.855 0.211 10.904 1.00 52.15 H new ATOM 0 HD11 LEU A 45 -3.858 -0.047 8.444 1.00 10.51 H new ATOM 0 HD12 LEU A 45 -5.035 1.163 9.008 1.00 10.51 H new ATOM 0 HD13 LEU A 45 -3.500 1.688 8.275 1.00 10.51 H new ATOM 0 HD21 LEU A 45 -1.801 -0.519 9.729 1.00 44.31 H new ATOM 0 HD22 LEU A 45 -1.243 1.170 9.684 1.00 44.31 H new ATOM 0 HD23 LEU A 45 -1.453 0.344 11.246 1.00 44.31 H new ATOM 777 N ALA A 46 -4.327 3.929 13.637 1.00 73.51 N ATOM 778 CA ALA A 46 -4.891 5.235 14.037 1.00 61.12 C ATOM 779 C ALA A 46 -4.624 5.622 15.505 1.00 40.22 C ATOM 780 O ALA A 46 -4.061 6.683 15.786 1.00 15.24 O ATOM 781 CB ALA A 46 -6.412 5.192 13.797 1.00 14.40 C ATOM 0 H ALA A 46 -4.942 3.138 13.830 1.00 73.51 H new ATOM 0 HA ALA A 46 -4.394 5.994 13.433 1.00 61.12 H new ATOM 0 HB1 ALA A 46 -6.853 6.146 14.085 1.00 14.40 H new ATOM 0 HB2 ALA A 46 -6.609 5.005 12.741 1.00 14.40 H new ATOM 0 HB3 ALA A 46 -6.852 4.394 14.395 1.00 14.40 H new ATOM 787 N GLU A 47 -5.014 4.727 16.425 1.00 63.10 N ATOM 788 CA GLU A 47 -5.266 5.093 17.843 1.00 2.24 C ATOM 789 C GLU A 47 -4.016 5.102 18.746 1.00 61.33 C ATOM 790 O GLU A 47 -4.139 5.189 19.972 1.00 71.21 O ATOM 791 CB GLU A 47 -6.396 4.194 18.415 1.00 3.12 C ATOM 792 CG GLU A 47 -7.741 4.374 17.676 1.00 44.43 C ATOM 793 CD GLU A 47 -8.894 3.537 18.249 1.00 54.40 C ATOM 794 OE1 GLU A 47 -9.298 3.770 19.407 1.00 51.00 O ATOM 795 OE2 GLU A 47 -9.413 2.658 17.543 1.00 33.12 O ATOM 0 H GLU A 47 -5.164 3.739 16.220 1.00 63.10 H new ATOM 0 HA GLU A 47 -5.587 6.135 17.843 1.00 2.24 H new ATOM 0 HB2 GLU A 47 -6.090 3.150 18.352 1.00 3.12 H new ATOM 0 HB3 GLU A 47 -6.535 4.422 19.472 1.00 3.12 H new ATOM 0 HG2 GLU A 47 -8.021 5.427 17.707 1.00 44.43 H new ATOM 0 HG3 GLU A 47 -7.604 4.112 16.627 1.00 44.43 H new ATOM 802 N GLU A 48 -2.820 5.026 18.157 1.00 4.13 N ATOM 803 CA GLU A 48 -1.565 5.432 18.847 1.00 21.43 C ATOM 804 C GLU A 48 -0.731 6.310 17.898 1.00 32.15 C ATOM 805 O GLU A 48 -0.045 7.242 18.345 1.00 63.42 O ATOM 806 CB GLU A 48 -0.752 4.207 19.383 1.00 74.22 C ATOM 807 CG GLU A 48 -0.029 3.332 18.335 1.00 52.33 C ATOM 808 CD GLU A 48 -0.973 2.543 17.420 1.00 4.43 C ATOM 809 OE1 GLU A 48 -1.409 3.089 16.380 1.00 52.55 O ATOM 810 OE2 GLU A 48 -1.291 1.380 17.743 1.00 13.50 O ATOM 0 H GLU A 48 -2.681 4.689 17.204 1.00 4.13 H new ATOM 0 HA GLU A 48 -1.827 6.013 19.731 1.00 21.43 H new ATOM 0 HB2 GLU A 48 -0.007 4.577 20.087 1.00 74.22 H new ATOM 0 HB3 GLU A 48 -1.433 3.568 19.946 1.00 74.22 H new ATOM 0 HG2 GLU A 48 0.606 3.970 17.721 1.00 52.33 H new ATOM 0 HG3 GLU A 48 0.627 2.632 18.852 1.00 52.33 H new ATOM 817 N LYS A 49 -0.807 5.980 16.576 1.00 15.53 N ATOM 818 CA LYS A 49 -0.224 6.769 15.472 1.00 43.30 C ATOM 819 C LYS A 49 1.325 6.893 15.596 1.00 33.41 C ATOM 820 O LYS A 49 1.943 7.757 14.965 1.00 73.24 O ATOM 821 CB LYS A 49 -0.929 8.162 15.406 1.00 64.12 C ATOM 822 CG LYS A 49 -0.748 8.951 14.086 1.00 71.42 C ATOM 823 CD LYS A 49 -1.375 10.363 14.155 1.00 40.54 C ATOM 824 CE LYS A 49 -2.901 10.344 14.333 1.00 61.43 C ATOM 825 NZ LYS A 49 -3.440 11.716 14.509 1.00 52.43 N ATOM 0 H LYS A 49 -1.286 5.140 16.252 1.00 15.53 H new ATOM 0 HA LYS A 49 -0.401 6.246 14.532 1.00 43.30 H new ATOM 0 HB2 LYS A 49 -1.996 8.016 15.576 1.00 64.12 H new ATOM 0 HB3 LYS A 49 -0.557 8.775 16.227 1.00 64.12 H new ATOM 0 HG2 LYS A 49 0.315 9.039 13.861 1.00 71.42 H new ATOM 0 HG3 LYS A 49 -1.203 8.394 13.267 1.00 71.42 H new ATOM 0 HD2 LYS A 49 -0.927 10.912 14.983 1.00 40.54 H new ATOM 0 HD3 LYS A 49 -1.130 10.907 13.243 1.00 40.54 H new ATOM 0 HE2 LYS A 49 -3.365 9.877 13.464 1.00 61.43 H new ATOM 0 HE3 LYS A 49 -3.161 9.735 15.199 1.00 61.43 H new ATOM 0 HZ1 LYS A 49 -4.386 11.665 14.939 1.00 52.43 H new ATOM 0 HZ2 LYS A 49 -2.807 12.261 15.129 1.00 52.43 H new ATOM 0 HZ3 LYS A 49 -3.505 12.185 13.583 1.00 52.43 H new ATOM 839 N ASN A 50 1.943 5.977 16.374 1.00 0.42 N ATOM 840 CA ASN A 50 3.393 6.007 16.674 1.00 1.44 C ATOM 841 C ASN A 50 4.236 5.760 15.411 1.00 24.10 C ATOM 842 O ASN A 50 3.726 5.259 14.390 1.00 20.24 O ATOM 843 CB ASN A 50 3.763 4.955 17.761 1.00 71.33 C ATOM 844 CG ASN A 50 3.569 3.502 17.303 1.00 32.24 C ATOM 845 OD1 ASN A 50 2.640 3.195 16.570 1.00 31.13 O ATOM 846 ND2 ASN A 50 4.444 2.602 17.721 1.00 72.54 N ATOM 0 H ASN A 50 1.452 5.197 16.811 1.00 0.42 H new ATOM 0 HA ASN A 50 3.618 7.004 17.053 1.00 1.44 H new ATOM 0 HB2 ASN A 50 4.803 5.099 18.054 1.00 71.33 H new ATOM 0 HB3 ASN A 50 3.154 5.132 18.648 1.00 71.33 H new ATOM 0 HD21 ASN A 50 4.352 1.628 17.432 1.00 72.54 H new ATOM 0 HD22 ASN A 50 5.211 2.882 18.332 1.00 72.54 H new ATOM 853 N PHE A 51 5.526 6.111 15.495 1.00 64.25 N ATOM 854 CA PHE A 51 6.476 5.908 14.400 1.00 34.14 C ATOM 855 C PHE A 51 6.836 4.415 14.290 1.00 5.14 C ATOM 856 O PHE A 51 7.696 3.913 15.023 1.00 42.11 O ATOM 857 CB PHE A 51 7.739 6.796 14.591 1.00 64.23 C ATOM 858 CG PHE A 51 8.753 6.695 13.445 1.00 34.13 C ATOM 859 CD1 PHE A 51 8.498 7.301 12.211 1.00 5.25 C ATOM 860 CD2 PHE A 51 9.946 5.974 13.586 1.00 3.14 C ATOM 861 CE1 PHE A 51 9.397 7.190 11.167 1.00 1.40 C ATOM 862 CE2 PHE A 51 10.838 5.861 12.536 1.00 11.32 C ATOM 863 CZ PHE A 51 10.564 6.470 11.329 1.00 21.13 C ATOM 0 H PHE A 51 5.937 6.542 16.323 1.00 64.25 H new ATOM 0 HA PHE A 51 6.011 6.213 13.463 1.00 34.14 H new ATOM 0 HB2 PHE A 51 7.427 7.835 14.696 1.00 64.23 H new ATOM 0 HB3 PHE A 51 8.230 6.515 15.523 1.00 64.23 H new ATOM 0 HD1 PHE A 51 7.586 7.863 12.072 1.00 5.25 H new ATOM 0 HD2 PHE A 51 10.172 5.499 14.529 1.00 3.14 H new ATOM 0 HE1 PHE A 51 9.186 7.668 10.222 1.00 1.40 H new ATOM 0 HE2 PHE A 51 11.750 5.296 12.661 1.00 11.32 H new ATOM 0 HZ PHE A 51 11.263 6.384 10.510 1.00 21.13 H new ATOM 873 N GLU A 52 6.109 3.703 13.414 1.00 54.41 N ATOM 874 CA GLU A 52 6.428 2.323 13.028 1.00 73.14 C ATOM 875 C GLU A 52 6.135 2.132 11.531 1.00 33.22 C ATOM 876 O GLU A 52 5.212 2.748 10.969 1.00 73.32 O ATOM 877 CB GLU A 52 5.668 1.280 13.904 1.00 50.23 C ATOM 878 CG GLU A 52 4.131 1.349 13.840 1.00 74.11 C ATOM 879 CD GLU A 52 3.430 0.216 14.624 1.00 70.25 C ATOM 880 OE1 GLU A 52 3.479 -0.944 14.170 1.00 2.32 O ATOM 881 OE2 GLU A 52 2.823 0.474 15.692 1.00 60.43 O ATOM 0 H GLU A 52 5.278 4.073 12.952 1.00 54.41 H new ATOM 0 HA GLU A 52 7.489 2.149 13.205 1.00 73.14 H new ATOM 0 HB2 GLU A 52 5.982 0.281 13.601 1.00 50.23 H new ATOM 0 HB3 GLU A 52 5.976 1.410 14.941 1.00 50.23 H new ATOM 0 HG2 GLU A 52 3.802 2.310 14.234 1.00 74.11 H new ATOM 0 HG3 GLU A 52 3.816 1.307 12.797 1.00 74.11 H new ATOM 888 N LYS A 53 6.964 1.302 10.903 1.00 72.53 N ATOM 889 CA LYS A 53 6.938 1.033 9.468 1.00 20.44 C ATOM 890 C LYS A 53 6.116 -0.241 9.234 1.00 21.34 C ATOM 891 O LYS A 53 6.506 -1.314 9.700 1.00 0.30 O ATOM 892 CB LYS A 53 8.406 0.868 8.967 1.00 12.02 C ATOM 893 CG LYS A 53 9.345 2.043 9.358 1.00 61.43 C ATOM 894 CD LYS A 53 10.818 1.829 8.924 1.00 5.15 C ATOM 895 CE LYS A 53 10.996 1.766 7.408 1.00 62.24 C ATOM 896 NZ LYS A 53 12.419 1.603 7.013 1.00 33.15 N ATOM 0 H LYS A 53 7.693 0.783 11.393 1.00 72.53 H new ATOM 0 HA LYS A 53 6.478 1.851 8.914 1.00 20.44 H new ATOM 0 HB2 LYS A 53 8.814 -0.059 9.370 1.00 12.02 H new ATOM 0 HB3 LYS A 53 8.399 0.768 7.882 1.00 12.02 H new ATOM 0 HG2 LYS A 53 8.971 2.962 8.906 1.00 61.43 H new ATOM 0 HG3 LYS A 53 9.310 2.182 10.439 1.00 61.43 H new ATOM 0 HD2 LYS A 53 11.428 2.640 9.322 1.00 5.15 H new ATOM 0 HD3 LYS A 53 11.189 0.904 9.366 1.00 5.15 H new ATOM 0 HE2 LYS A 53 10.414 0.935 7.010 1.00 62.24 H new ATOM 0 HE3 LYS A 53 10.599 2.677 6.960 1.00 62.24 H new ATOM 0 HZ1 LYS A 53 12.517 1.768 5.991 1.00 33.15 H new ATOM 0 HZ2 LYS A 53 13.004 2.289 7.532 1.00 33.15 H new ATOM 0 HZ3 LYS A 53 12.734 0.638 7.239 1.00 33.15 H new ATOM 910 N ILE A 54 4.959 -0.116 8.557 1.00 4.11 N ATOM 911 CA ILE A 54 4.035 -1.244 8.314 1.00 60.40 C ATOM 912 C ILE A 54 3.782 -1.405 6.804 1.00 13.33 C ATOM 913 O ILE A 54 3.417 -0.438 6.123 1.00 30.43 O ATOM 914 CB ILE A 54 2.649 -1.038 9.050 1.00 24.12 C ATOM 915 CG1 ILE A 54 2.854 -0.808 10.583 1.00 3.51 C ATOM 916 CG2 ILE A 54 1.699 -2.240 8.800 1.00 41.51 C ATOM 917 CD1 ILE A 54 1.573 -0.560 11.369 1.00 33.15 C ATOM 0 H ILE A 54 4.637 0.768 8.163 1.00 4.11 H new ATOM 0 HA ILE A 54 4.507 -2.141 8.714 1.00 60.40 H new ATOM 0 HB ILE A 54 2.184 -0.145 8.632 1.00 24.12 H new ATOM 0 HG12 ILE A 54 3.358 -1.679 11.002 1.00 3.51 H new ATOM 0 HG13 ILE A 54 3.520 0.044 10.722 1.00 3.51 H new ATOM 0 HG21 ILE A 54 0.755 -2.071 9.317 1.00 41.51 H new ATOM 0 HG22 ILE A 54 1.514 -2.341 7.731 1.00 41.51 H new ATOM 0 HG23 ILE A 54 2.161 -3.153 9.176 1.00 41.51 H new ATOM 0 HD11 ILE A 54 1.815 -0.412 12.421 1.00 33.15 H new ATOM 0 HD12 ILE A 54 1.075 0.329 10.982 1.00 33.15 H new ATOM 0 HD13 ILE A 54 0.911 -1.420 11.267 1.00 33.15 H new ATOM 929 N LEU A 55 4.015 -2.624 6.285 1.00 74.14 N ATOM 930 CA LEU A 55 3.536 -3.024 4.957 1.00 30.11 C ATOM 931 C LEU A 55 2.105 -3.546 5.119 1.00 2.22 C ATOM 932 O LEU A 55 1.889 -4.511 5.853 1.00 62.41 O ATOM 933 CB LEU A 55 4.402 -4.151 4.333 1.00 32.11 C ATOM 934 CG LEU A 55 3.935 -4.621 2.903 1.00 52.03 C ATOM 935 CD1 LEU A 55 4.247 -3.554 1.847 1.00 13.33 C ATOM 936 CD2 LEU A 55 4.518 -5.992 2.508 1.00 52.54 C ATOM 0 H LEU A 55 4.537 -3.352 6.773 1.00 74.14 H new ATOM 0 HA LEU A 55 3.590 -2.160 4.295 1.00 30.11 H new ATOM 0 HB2 LEU A 55 5.434 -3.805 4.269 1.00 32.11 H new ATOM 0 HB3 LEU A 55 4.395 -5.010 5.004 1.00 32.11 H new ATOM 0 HG LEU A 55 2.854 -4.750 2.949 1.00 52.03 H new ATOM 0 HD11 LEU A 55 3.915 -3.902 0.869 1.00 13.33 H new ATOM 0 HD12 LEU A 55 3.727 -2.630 2.099 1.00 13.33 H new ATOM 0 HD13 LEU A 55 5.321 -3.370 1.822 1.00 13.33 H new ATOM 0 HD21 LEU A 55 4.163 -6.266 1.514 1.00 52.54 H new ATOM 0 HD22 LEU A 55 5.607 -5.936 2.502 1.00 52.54 H new ATOM 0 HD23 LEU A 55 4.197 -6.745 3.228 1.00 52.54 H new ATOM 948 N ILE A 56 1.134 -2.896 4.480 1.00 5.14 N ATOM 949 CA ILE A 56 -0.231 -3.422 4.391 1.00 61.00 C ATOM 950 C ILE A 56 -0.362 -4.211 3.077 1.00 1.21 C ATOM 951 O ILE A 56 0.037 -3.737 2.002 1.00 54.21 O ATOM 952 CB ILE A 56 -1.312 -2.295 4.452 1.00 30.51 C ATOM 953 CG1 ILE A 56 -1.160 -1.424 5.744 1.00 14.44 C ATOM 954 CG2 ILE A 56 -2.743 -2.890 4.357 1.00 4.41 C ATOM 955 CD1 ILE A 56 -1.427 -2.150 7.049 1.00 54.44 C ATOM 0 H ILE A 56 1.267 -1.999 4.013 1.00 5.14 H new ATOM 0 HA ILE A 56 -0.407 -4.068 5.251 1.00 61.00 H new ATOM 0 HB ILE A 56 -1.154 -1.645 3.592 1.00 30.51 H new ATOM 0 HG12 ILE A 56 -0.148 -1.019 5.773 1.00 14.44 H new ATOM 0 HG13 ILE A 56 -1.841 -0.576 5.673 1.00 14.44 H new ATOM 0 HG21 ILE A 56 -3.476 -2.084 4.402 1.00 4.41 H new ATOM 0 HG22 ILE A 56 -2.852 -3.427 3.415 1.00 4.41 H new ATOM 0 HG23 ILE A 56 -2.907 -3.577 5.187 1.00 4.41 H new ATOM 0 HD11 ILE A 56 -1.295 -1.460 7.883 1.00 54.44 H new ATOM 0 HD12 ILE A 56 -2.448 -2.531 7.051 1.00 54.44 H new ATOM 0 HD13 ILE A 56 -0.729 -2.981 7.152 1.00 54.44 H new ATOM 967 N LYS A 57 -0.925 -5.409 3.186 1.00 63.33 N ATOM 968 CA LYS A 57 -1.094 -6.349 2.089 1.00 73.03 C ATOM 969 C LYS A 57 -2.592 -6.531 1.850 1.00 25.24 C ATOM 970 O LYS A 57 -3.334 -6.749 2.801 1.00 65.15 O ATOM 971 CB LYS A 57 -0.390 -7.684 2.490 1.00 53.01 C ATOM 972 CG LYS A 57 -0.421 -8.822 1.441 1.00 72.44 C ATOM 973 CD LYS A 57 -1.710 -9.689 1.439 1.00 24.23 C ATOM 974 CE LYS A 57 -1.693 -10.720 0.317 1.00 35.12 C ATOM 975 NZ LYS A 57 -2.839 -11.654 0.373 1.00 2.21 N ATOM 0 H LYS A 57 -1.288 -5.763 4.071 1.00 63.33 H new ATOM 0 HA LYS A 57 -0.645 -5.993 1.162 1.00 73.03 H new ATOM 0 HB2 LYS A 57 0.652 -7.464 2.724 1.00 53.01 H new ATOM 0 HB3 LYS A 57 -0.852 -8.052 3.406 1.00 53.01 H new ATOM 0 HG2 LYS A 57 -0.296 -8.384 0.451 1.00 72.44 H new ATOM 0 HG3 LYS A 57 0.435 -9.474 1.612 1.00 72.44 H new ATOM 0 HD2 LYS A 57 -1.809 -10.197 2.398 1.00 24.23 H new ATOM 0 HD3 LYS A 57 -2.582 -9.045 1.328 1.00 24.23 H new ATOM 0 HE2 LYS A 57 -1.698 -10.204 -0.643 1.00 35.12 H new ATOM 0 HE3 LYS A 57 -0.765 -11.289 0.368 1.00 35.12 H new ATOM 0 HZ1 LYS A 57 -2.489 -12.628 0.476 1.00 2.21 H new ATOM 0 HZ2 LYS A 57 -3.442 -11.415 1.186 1.00 2.21 H new ATOM 0 HZ3 LYS A 57 -3.393 -11.577 -0.504 1.00 2.21 H new ATOM 989 N SER A 58 -3.035 -6.439 0.590 1.00 25.30 N ATOM 990 CA SER A 58 -4.428 -6.744 0.214 1.00 44.11 C ATOM 991 C SER A 58 -4.510 -7.113 -1.271 1.00 54.31 C ATOM 992 O SER A 58 -3.686 -6.680 -2.084 1.00 62.20 O ATOM 993 CB SER A 58 -5.368 -5.552 0.534 1.00 22.00 C ATOM 994 OG SER A 58 -6.724 -5.840 0.201 1.00 33.44 O ATOM 0 H SER A 58 -2.447 -6.154 -0.193 1.00 25.30 H new ATOM 0 HA SER A 58 -4.760 -7.598 0.805 1.00 44.11 H new ATOM 0 HB2 SER A 58 -5.298 -5.309 1.594 1.00 22.00 H new ATOM 0 HB3 SER A 58 -5.038 -4.671 -0.017 1.00 22.00 H new ATOM 0 HG SER A 58 -7.059 -5.162 -0.422 1.00 33.44 H new ATOM 1000 N ASN A 59 -5.512 -7.938 -1.606 1.00 44.33 N ATOM 1001 CA ASN A 59 -5.804 -8.353 -2.994 1.00 10.03 C ATOM 1002 C ASN A 59 -7.058 -7.629 -3.511 1.00 42.24 C ATOM 1003 O ASN A 59 -7.412 -7.765 -4.689 1.00 43.41 O ATOM 1004 CB ASN A 59 -6.001 -9.888 -3.071 1.00 22.13 C ATOM 1005 CG ASN A 59 -4.808 -10.667 -2.527 1.00 10.34 C ATOM 1006 OD1 ASN A 59 -4.767 -11.003 -1.346 1.00 42.22 O ATOM 1007 ND2 ASN A 59 -3.825 -10.948 -3.374 1.00 25.43 N ATOM 0 H ASN A 59 -6.150 -8.341 -0.920 1.00 44.33 H new ATOM 0 HA ASN A 59 -4.956 -8.081 -3.623 1.00 10.03 H new ATOM 0 HB2 ASN A 59 -6.894 -10.163 -2.511 1.00 22.13 H new ATOM 0 HB3 ASN A 59 -6.174 -10.176 -4.108 1.00 22.13 H new ATOM 0 HD21 ASN A 59 -3.003 -11.458 -3.050 1.00 25.43 H new ATOM 0 HD22 ASN A 59 -3.892 -10.654 -4.348 1.00 25.43 H new ATOM 1014 N ASP A 60 -7.711 -6.835 -2.632 1.00 44.44 N ATOM 1015 CA ASP A 60 -8.944 -6.099 -2.967 1.00 12.04 C ATOM 1016 C ASP A 60 -8.757 -4.583 -2.763 1.00 20.03 C ATOM 1017 O ASP A 60 -8.285 -4.135 -1.714 1.00 4.44 O ATOM 1018 CB ASP A 60 -10.141 -6.609 -2.129 1.00 63.02 C ATOM 1019 CG ASP A 60 -11.442 -5.841 -2.445 1.00 34.32 C ATOM 1020 OD1 ASP A 60 -11.992 -6.018 -3.556 1.00 11.44 O ATOM 1021 OD2 ASP A 60 -11.890 -5.032 -1.604 1.00 15.40 O ATOM 0 H ASP A 60 -7.396 -6.689 -1.673 1.00 44.44 H new ATOM 0 HA ASP A 60 -9.159 -6.280 -4.020 1.00 12.04 H new ATOM 0 HB2 ASP A 60 -10.292 -7.671 -2.322 1.00 63.02 H new ATOM 0 HB3 ASP A 60 -9.910 -6.508 -1.069 1.00 63.02 H new ATOM 1026 N LYS A 61 -9.167 -3.825 -3.789 1.00 12.23 N ATOM 1027 CA LYS A 61 -9.003 -2.356 -3.888 1.00 50.23 C ATOM 1028 C LYS A 61 -10.056 -1.542 -3.094 1.00 71.32 C ATOM 1029 O LYS A 61 -9.807 -0.370 -2.782 1.00 22.11 O ATOM 1030 CB LYS A 61 -8.985 -1.955 -5.394 1.00 74.21 C ATOM 1031 CG LYS A 61 -10.161 -2.502 -6.240 1.00 54.50 C ATOM 1032 CD LYS A 61 -9.934 -2.323 -7.767 1.00 5.32 C ATOM 1033 CE LYS A 61 -10.760 -3.315 -8.614 1.00 73.12 C ATOM 1034 NZ LYS A 61 -12.230 -3.164 -8.423 1.00 74.32 N ATOM 0 H LYS A 61 -9.637 -4.223 -4.602 1.00 12.23 H new ATOM 0 HA LYS A 61 -8.054 -2.101 -3.416 1.00 50.23 H new ATOM 0 HB2 LYS A 61 -8.985 -0.867 -5.463 1.00 74.21 H new ATOM 0 HB3 LYS A 61 -8.050 -2.302 -5.834 1.00 74.21 H new ATOM 0 HG2 LYS A 61 -10.301 -3.560 -6.019 1.00 54.50 H new ATOM 0 HG3 LYS A 61 -11.080 -1.992 -5.951 1.00 54.50 H new ATOM 0 HD2 LYS A 61 -10.195 -1.304 -8.052 1.00 5.32 H new ATOM 0 HD3 LYS A 61 -8.875 -2.455 -7.990 1.00 5.32 H new ATOM 0 HE2 LYS A 61 -10.520 -3.172 -9.668 1.00 73.12 H new ATOM 0 HE3 LYS A 61 -10.469 -4.333 -8.357 1.00 73.12 H new ATOM 0 HZ1 LYS A 61 -12.730 -3.856 -9.017 1.00 74.32 H new ATOM 0 HZ2 LYS A 61 -12.469 -3.328 -7.424 1.00 74.32 H new ATOM 0 HZ3 LYS A 61 -12.518 -2.202 -8.695 1.00 74.32 H new ATOM 1048 N GLN A 62 -11.217 -2.157 -2.753 1.00 20.24 N ATOM 1049 CA GLN A 62 -12.309 -1.447 -2.034 1.00 0.20 C ATOM 1050 C GLN A 62 -11.873 -1.126 -0.598 1.00 62.50 C ATOM 1051 O GLN A 62 -12.059 -0.006 -0.117 1.00 43.03 O ATOM 1052 CB GLN A 62 -13.617 -2.288 -2.003 1.00 55.21 C ATOM 1053 CG GLN A 62 -14.181 -2.670 -3.386 1.00 70.30 C ATOM 1054 CD GLN A 62 -14.508 -1.456 -4.254 1.00 71.40 C ATOM 1055 OE1 GLN A 62 -13.683 -0.988 -5.043 1.00 11.02 O ATOM 1056 NE2 GLN A 62 -15.710 -0.925 -4.099 1.00 22.54 N ATOM 0 H GLN A 62 -11.421 -3.134 -2.962 1.00 20.24 H new ATOM 0 HA GLN A 62 -12.512 -0.522 -2.574 1.00 0.20 H new ATOM 0 HB2 GLN A 62 -13.430 -3.202 -1.439 1.00 55.21 H new ATOM 0 HB3 GLN A 62 -14.378 -1.728 -1.459 1.00 55.21 H new ATOM 0 HG2 GLN A 62 -13.457 -3.297 -3.907 1.00 70.30 H new ATOM 0 HG3 GLN A 62 -15.083 -3.267 -3.252 1.00 70.30 H new ATOM 0 HE21 GLN A 62 -16.368 -1.337 -3.438 1.00 22.54 H new ATOM 0 HE22 GLN A 62 -15.978 -0.104 -4.641 1.00 22.54 H new ATOM 1065 N LEU A 63 -11.250 -2.140 0.034 1.00 64.10 N ATOM 1066 CA LEU A 63 -10.721 -2.080 1.413 1.00 31.04 C ATOM 1067 C LEU A 63 -9.743 -0.895 1.604 1.00 2.21 C ATOM 1068 O LEU A 63 -9.698 -0.275 2.673 1.00 74.03 O ATOM 1069 CB LEU A 63 -10.028 -3.436 1.739 1.00 11.10 C ATOM 1070 CG LEU A 63 -10.949 -4.699 1.627 1.00 2.25 C ATOM 1071 CD1 LEU A 63 -10.145 -6.010 1.710 1.00 14.23 C ATOM 1072 CD2 LEU A 63 -12.081 -4.669 2.678 1.00 22.21 C ATOM 0 H LEU A 63 -11.096 -3.045 -0.410 1.00 64.10 H new ATOM 0 HA LEU A 63 -11.548 -1.912 2.103 1.00 31.04 H new ATOM 0 HB2 LEU A 63 -9.180 -3.563 1.066 1.00 11.10 H new ATOM 0 HB3 LEU A 63 -9.627 -3.387 2.751 1.00 11.10 H new ATOM 0 HG LEU A 63 -11.411 -4.667 0.640 1.00 2.25 H new ATOM 0 HD11 LEU A 63 -10.824 -6.859 1.628 1.00 14.23 H new ATOM 0 HD12 LEU A 63 -9.421 -6.045 0.896 1.00 14.23 H new ATOM 0 HD13 LEU A 63 -9.621 -6.056 2.665 1.00 14.23 H new ATOM 0 HD21 LEU A 63 -12.700 -5.560 2.571 1.00 22.21 H new ATOM 0 HD22 LEU A 63 -11.648 -4.645 3.678 1.00 22.21 H new ATOM 0 HD23 LEU A 63 -12.694 -3.781 2.527 1.00 22.21 H new ATOM 1084 N LEU A 64 -8.992 -0.579 0.529 1.00 30.04 N ATOM 1085 CA LEU A 64 -7.992 0.502 0.520 1.00 15.14 C ATOM 1086 C LEU A 64 -8.662 1.883 0.462 1.00 34.41 C ATOM 1087 O LEU A 64 -8.199 2.803 1.129 1.00 61.41 O ATOM 1088 CB LEU A 64 -6.992 0.329 -0.657 1.00 61.34 C ATOM 1089 CG LEU A 64 -5.825 -0.686 -0.414 1.00 25.42 C ATOM 1090 CD1 LEU A 64 -6.329 -2.105 -0.113 1.00 11.44 C ATOM 1091 CD2 LEU A 64 -4.863 -0.693 -1.601 1.00 33.10 C ATOM 0 H LEU A 64 -9.065 -1.071 -0.361 1.00 30.04 H new ATOM 0 HA LEU A 64 -7.434 0.438 1.454 1.00 15.14 H new ATOM 0 HB2 LEU A 64 -7.549 0.010 -1.538 1.00 61.34 H new ATOM 0 HB3 LEU A 64 -6.560 1.303 -0.888 1.00 61.34 H new ATOM 0 HG LEU A 64 -5.290 -0.348 0.473 1.00 25.42 H new ATOM 0 HD11 LEU A 64 -5.478 -2.767 0.047 1.00 11.44 H new ATOM 0 HD12 LEU A 64 -6.949 -2.088 0.783 1.00 11.44 H new ATOM 0 HD13 LEU A 64 -6.918 -2.468 -0.955 1.00 11.44 H new ATOM 0 HD21 LEU A 64 -4.059 -1.404 -1.413 1.00 33.10 H new ATOM 0 HD22 LEU A 64 -5.401 -0.983 -2.504 1.00 33.10 H new ATOM 0 HD23 LEU A 64 -4.442 0.304 -1.734 1.00 33.10 H new ATOM 1103 N LYS A 65 -9.748 2.025 -0.337 1.00 12.02 N ATOM 1104 CA LYS A 65 -10.497 3.302 -0.428 1.00 32.25 C ATOM 1105 C LYS A 65 -11.101 3.662 0.938 1.00 45.34 C ATOM 1106 O LYS A 65 -10.963 4.796 1.397 1.00 12.22 O ATOM 1107 CB LYS A 65 -11.614 3.241 -1.502 1.00 4.33 C ATOM 1108 CG LYS A 65 -11.090 3.027 -2.934 1.00 42.42 C ATOM 1109 CD LYS A 65 -12.190 3.137 -4.024 1.00 31.04 C ATOM 1110 CE LYS A 65 -13.327 2.115 -3.850 1.00 51.23 C ATOM 1111 NZ LYS A 65 -14.304 2.172 -4.977 1.00 25.42 N ATOM 0 H LYS A 65 -10.122 1.278 -0.923 1.00 12.02 H new ATOM 0 HA LYS A 65 -9.790 4.076 -0.728 1.00 32.25 H new ATOM 0 HB2 LYS A 65 -12.301 2.433 -1.252 1.00 4.33 H new ATOM 0 HB3 LYS A 65 -12.187 4.168 -1.470 1.00 4.33 H new ATOM 0 HG2 LYS A 65 -10.312 3.762 -3.140 1.00 42.42 H new ATOM 0 HG3 LYS A 65 -10.625 2.043 -2.998 1.00 42.42 H new ATOM 0 HD2 LYS A 65 -12.610 4.143 -4.006 1.00 31.04 H new ATOM 0 HD3 LYS A 65 -11.734 2.999 -5.005 1.00 31.04 H new ATOM 0 HE2 LYS A 65 -12.906 1.112 -3.785 1.00 51.23 H new ATOM 0 HE3 LYS A 65 -13.845 2.305 -2.910 1.00 51.23 H new ATOM 0 HZ1 LYS A 65 -15.209 2.552 -4.633 1.00 25.42 H new ATOM 0 HZ2 LYS A 65 -13.933 2.789 -5.728 1.00 25.42 H new ATOM 0 HZ3 LYS A 65 -14.452 1.215 -5.357 1.00 25.42 H new ATOM 1125 N GLU A 66 -11.717 2.646 1.577 1.00 42.15 N ATOM 1126 CA GLU A 66 -12.314 2.758 2.925 1.00 60.12 C ATOM 1127 C GLU A 66 -11.251 3.169 3.962 1.00 2.02 C ATOM 1128 O GLU A 66 -11.501 4.020 4.825 1.00 50.43 O ATOM 1129 CB GLU A 66 -12.952 1.405 3.332 1.00 54.32 C ATOM 1130 CG GLU A 66 -14.030 0.892 2.358 1.00 62.30 C ATOM 1131 CD GLU A 66 -14.585 -0.479 2.761 1.00 14.25 C ATOM 1132 OE1 GLU A 66 -13.924 -1.500 2.480 1.00 12.12 O ATOM 1133 OE2 GLU A 66 -15.672 -0.542 3.386 1.00 43.24 O ATOM 0 H GLU A 66 -11.815 1.716 1.169 1.00 42.15 H new ATOM 0 HA GLU A 66 -13.085 3.528 2.898 1.00 60.12 H new ATOM 0 HB2 GLU A 66 -12.165 0.655 3.412 1.00 54.32 H new ATOM 0 HB3 GLU A 66 -13.394 1.509 4.323 1.00 54.32 H new ATOM 0 HG2 GLU A 66 -14.847 1.612 2.314 1.00 62.30 H new ATOM 0 HG3 GLU A 66 -13.608 0.828 1.355 1.00 62.30 H new ATOM 1140 N MET A 67 -10.058 2.560 3.828 1.00 1.35 N ATOM 1141 CA MET A 67 -8.908 2.826 4.703 1.00 52.31 C ATOM 1142 C MET A 67 -8.455 4.300 4.570 1.00 12.11 C ATOM 1143 O MET A 67 -8.319 4.998 5.574 1.00 60.20 O ATOM 1144 CB MET A 67 -7.738 1.866 4.349 1.00 65.35 C ATOM 1145 CG MET A 67 -6.589 1.835 5.373 1.00 63.23 C ATOM 1146 SD MET A 67 -5.116 0.996 4.760 1.00 72.42 S ATOM 1147 CE MET A 67 -5.742 -0.635 4.377 1.00 34.34 C ATOM 0 H MET A 67 -9.867 1.866 3.105 1.00 1.35 H new ATOM 0 HA MET A 67 -9.207 2.651 5.737 1.00 52.31 H new ATOM 0 HB2 MET A 67 -8.136 0.857 4.241 1.00 65.35 H new ATOM 0 HB3 MET A 67 -7.332 2.154 3.379 1.00 65.35 H new ATOM 0 HG2 MET A 67 -6.329 2.857 5.649 1.00 63.23 H new ATOM 0 HG3 MET A 67 -6.932 1.337 6.280 1.00 63.23 H new ATOM 0 HE1 MET A 67 -5.157 -1.068 3.565 1.00 34.34 H new ATOM 0 HE2 MET A 67 -5.665 -1.271 5.259 1.00 34.34 H new ATOM 0 HE3 MET A 67 -6.786 -0.562 4.073 1.00 34.34 H new ATOM 1157 N LEU A 68 -8.295 4.760 3.307 1.00 20.23 N ATOM 1158 CA LEU A 68 -7.741 6.095 2.963 1.00 55.11 C ATOM 1159 C LEU A 68 -8.637 7.258 3.437 1.00 22.02 C ATOM 1160 O LEU A 68 -8.126 8.339 3.746 1.00 24.45 O ATOM 1161 CB LEU A 68 -7.489 6.188 1.429 1.00 0.13 C ATOM 1162 CG LEU A 68 -6.278 5.351 0.893 1.00 53.44 C ATOM 1163 CD1 LEU A 68 -6.309 5.219 -0.643 1.00 63.32 C ATOM 1164 CD2 LEU A 68 -4.940 5.958 1.368 1.00 2.12 C ATOM 0 H LEU A 68 -8.549 4.209 2.487 1.00 20.23 H new ATOM 0 HA LEU A 68 -6.796 6.196 3.496 1.00 55.11 H new ATOM 0 HB2 LEU A 68 -8.391 5.863 0.910 1.00 0.13 H new ATOM 0 HB3 LEU A 68 -7.330 7.234 1.167 1.00 0.13 H new ATOM 0 HG LEU A 68 -6.366 4.346 1.306 1.00 53.44 H new ATOM 0 HD11 LEU A 68 -5.453 4.632 -0.975 1.00 63.32 H new ATOM 0 HD12 LEU A 68 -7.230 4.721 -0.947 1.00 63.32 H new ATOM 0 HD13 LEU A 68 -6.266 6.210 -1.094 1.00 63.32 H new ATOM 0 HD21 LEU A 68 -4.113 5.361 0.984 1.00 2.12 H new ATOM 0 HD22 LEU A 68 -4.852 6.980 0.998 1.00 2.12 H new ATOM 0 HD23 LEU A 68 -4.909 5.963 2.458 1.00 2.12 H new ATOM 1176 N GLU A 69 -9.963 7.026 3.490 1.00 61.04 N ATOM 1177 CA GLU A 69 -10.937 8.033 3.977 1.00 21.11 C ATOM 1178 C GLU A 69 -10.692 8.346 5.465 1.00 35.11 C ATOM 1179 O GLU A 69 -10.793 9.500 5.890 1.00 22.33 O ATOM 1180 CB GLU A 69 -12.389 7.537 3.744 1.00 0.31 C ATOM 1181 CG GLU A 69 -12.719 7.269 2.258 1.00 45.12 C ATOM 1182 CD GLU A 69 -14.111 6.661 2.020 1.00 33.12 C ATOM 1183 OE1 GLU A 69 -14.406 5.595 2.590 1.00 74.13 O ATOM 1184 OE2 GLU A 69 -14.906 7.232 1.243 1.00 2.45 O ATOM 0 H GLU A 69 -10.390 6.146 3.201 1.00 61.04 H new ATOM 0 HA GLU A 69 -10.798 8.955 3.412 1.00 21.11 H new ATOM 0 HB2 GLU A 69 -12.547 6.621 4.314 1.00 0.31 H new ATOM 0 HB3 GLU A 69 -13.085 8.280 4.134 1.00 0.31 H new ATOM 0 HG2 GLU A 69 -12.645 8.206 1.707 1.00 45.12 H new ATOM 0 HG3 GLU A 69 -11.966 6.597 1.846 1.00 45.12 H new ATOM 1191 N LEU A 70 -10.329 7.301 6.234 1.00 15.44 N ATOM 1192 CA LEU A 70 -10.014 7.423 7.667 1.00 13.15 C ATOM 1193 C LEU A 70 -8.564 7.917 7.866 1.00 54.21 C ATOM 1194 O LEU A 70 -8.299 8.692 8.785 1.00 41.11 O ATOM 1195 CB LEU A 70 -10.236 6.066 8.379 1.00 4.40 C ATOM 1196 CG LEU A 70 -11.665 5.445 8.253 1.00 13.54 C ATOM 1197 CD1 LEU A 70 -11.745 4.085 8.976 1.00 13.34 C ATOM 1198 CD2 LEU A 70 -12.743 6.418 8.773 1.00 21.32 C ATOM 0 H LEU A 70 -10.246 6.349 5.877 1.00 15.44 H new ATOM 0 HA LEU A 70 -10.684 8.160 8.110 1.00 13.15 H new ATOM 0 HB2 LEU A 70 -9.515 5.350 7.984 1.00 4.40 H new ATOM 0 HB3 LEU A 70 -10.010 6.194 9.438 1.00 4.40 H new ATOM 0 HG LEU A 70 -11.860 5.270 7.195 1.00 13.54 H new ATOM 0 HD11 LEU A 70 -12.750 3.676 8.872 1.00 13.34 H new ATOM 0 HD12 LEU A 70 -11.025 3.395 8.535 1.00 13.34 H new ATOM 0 HD13 LEU A 70 -11.516 4.221 10.033 1.00 13.34 H new ATOM 0 HD21 LEU A 70 -13.726 5.959 8.673 1.00 21.32 H new ATOM 0 HD22 LEU A 70 -12.553 6.644 9.822 1.00 21.32 H new ATOM 0 HD23 LEU A 70 -12.712 7.340 8.192 1.00 21.32 H new ATOM 1210 N ILE A 71 -7.643 7.473 6.969 1.00 2.32 N ATOM 1211 CA ILE A 71 -6.217 7.893 6.965 1.00 5.00 C ATOM 1212 C ILE A 71 -6.103 9.420 6.787 1.00 52.14 C ATOM 1213 O ILE A 71 -5.224 10.053 7.374 1.00 74.00 O ATOM 1214 CB ILE A 71 -5.387 7.159 5.831 1.00 53.31 C ATOM 1215 CG1 ILE A 71 -5.209 5.638 6.147 1.00 50.30 C ATOM 1216 CG2 ILE A 71 -4.011 7.829 5.584 1.00 4.32 C ATOM 1217 CD1 ILE A 71 -4.451 4.846 5.080 1.00 31.22 C ATOM 0 H ILE A 71 -7.871 6.812 6.227 1.00 2.32 H new ATOM 0 HA ILE A 71 -5.796 7.608 7.929 1.00 5.00 H new ATOM 0 HB ILE A 71 -5.966 7.253 4.912 1.00 53.31 H new ATOM 0 HG12 ILE A 71 -4.683 5.538 7.096 1.00 50.30 H new ATOM 0 HG13 ILE A 71 -6.194 5.191 6.280 1.00 50.30 H new ATOM 0 HG21 ILE A 71 -3.480 7.291 4.799 1.00 4.32 H new ATOM 0 HG22 ILE A 71 -4.160 8.864 5.277 1.00 4.32 H new ATOM 0 HG23 ILE A 71 -3.424 7.804 6.502 1.00 4.32 H new ATOM 0 HD11 ILE A 71 -4.377 3.802 5.386 1.00 31.22 H new ATOM 0 HD12 ILE A 71 -4.985 4.909 4.132 1.00 31.22 H new ATOM 0 HD13 ILE A 71 -3.450 5.261 4.961 1.00 31.22 H new ATOM 1229 N SER A 72 -7.023 9.984 5.982 1.00 54.12 N ATOM 1230 CA SER A 72 -7.099 11.427 5.718 1.00 63.20 C ATOM 1231 C SER A 72 -7.238 12.229 7.024 1.00 24.54 C ATOM 1232 O SER A 72 -6.671 13.316 7.152 1.00 64.44 O ATOM 1233 CB SER A 72 -8.286 11.727 4.780 1.00 51.13 C ATOM 1234 OG SER A 72 -8.323 13.093 4.420 1.00 0.53 O ATOM 0 H SER A 72 -7.738 9.444 5.495 1.00 54.12 H new ATOM 0 HA SER A 72 -6.171 11.733 5.235 1.00 63.20 H new ATOM 0 HB2 SER A 72 -8.207 11.114 3.882 1.00 51.13 H new ATOM 0 HB3 SER A 72 -9.219 11.453 5.272 1.00 51.13 H new ATOM 0 HG SER A 72 -9.084 13.254 3.824 1.00 0.53 H new ATOM 1240 N LYS A 73 -7.966 11.644 7.992 1.00 64.35 N ATOM 1241 CA LYS A 73 -8.242 12.272 9.292 1.00 33.31 C ATOM 1242 C LYS A 73 -6.990 12.183 10.191 1.00 40.42 C ATOM 1243 O LYS A 73 -6.671 13.118 10.935 1.00 13.33 O ATOM 1244 CB LYS A 73 -9.452 11.567 9.978 1.00 71.53 C ATOM 1245 CG LYS A 73 -10.647 11.251 9.045 1.00 45.11 C ATOM 1246 CD LYS A 73 -11.195 12.487 8.290 1.00 52.12 C ATOM 1247 CE LYS A 73 -12.341 12.128 7.331 1.00 54.55 C ATOM 1248 NZ LYS A 73 -12.783 13.298 6.532 1.00 41.21 N ATOM 0 H LYS A 73 -8.381 10.717 7.892 1.00 64.35 H new ATOM 0 HA LYS A 73 -8.492 13.322 9.138 1.00 33.31 H new ATOM 0 HB2 LYS A 73 -9.104 10.635 10.424 1.00 71.53 H new ATOM 0 HB3 LYS A 73 -9.805 12.198 10.793 1.00 71.53 H new ATOM 0 HG2 LYS A 73 -10.339 10.500 8.318 1.00 45.11 H new ATOM 0 HG3 LYS A 73 -11.451 10.812 9.636 1.00 45.11 H new ATOM 0 HD2 LYS A 73 -11.547 13.224 9.012 1.00 52.12 H new ATOM 0 HD3 LYS A 73 -10.386 12.953 7.727 1.00 52.12 H new ATOM 0 HE2 LYS A 73 -12.017 11.332 6.660 1.00 54.55 H new ATOM 0 HE3 LYS A 73 -13.184 11.740 7.902 1.00 54.55 H new ATOM 0 HZ1 LYS A 73 -13.557 13.013 5.898 1.00 41.21 H new ATOM 0 HZ2 LYS A 73 -13.116 14.048 7.170 1.00 41.21 H new ATOM 0 HZ3 LYS A 73 -11.986 13.654 5.967 1.00 41.21 H new ATOM 1262 N LEU A 74 -6.283 11.039 10.077 1.00 10.22 N ATOM 1263 CA LEU A 74 -5.088 10.711 10.887 1.00 63.24 C ATOM 1264 C LEU A 74 -3.890 11.591 10.479 1.00 43.54 C ATOM 1265 O LEU A 74 -3.130 12.065 11.338 1.00 65.43 O ATOM 1266 CB LEU A 74 -4.740 9.205 10.703 1.00 43.15 C ATOM 1267 CG LEU A 74 -5.929 8.208 10.876 1.00 41.32 C ATOM 1268 CD1 LEU A 74 -5.514 6.749 10.587 1.00 61.35 C ATOM 1269 CD2 LEU A 74 -6.583 8.354 12.259 1.00 12.35 C ATOM 0 H LEU A 74 -6.529 10.306 9.411 1.00 10.22 H new ATOM 0 HA LEU A 74 -5.306 10.909 11.936 1.00 63.24 H new ATOM 0 HB2 LEU A 74 -4.317 9.068 9.708 1.00 43.15 H new ATOM 0 HB3 LEU A 74 -3.962 8.941 11.419 1.00 43.15 H new ATOM 0 HG LEU A 74 -6.679 8.470 10.130 1.00 41.32 H new ATOM 0 HD11 LEU A 74 -6.374 6.093 10.720 1.00 61.35 H new ATOM 0 HD12 LEU A 74 -5.153 6.670 9.562 1.00 61.35 H new ATOM 0 HD13 LEU A 74 -4.722 6.453 11.275 1.00 61.35 H new ATOM 0 HD21 LEU A 74 -7.407 7.646 12.348 1.00 12.35 H new ATOM 0 HD22 LEU A 74 -5.844 8.150 13.034 1.00 12.35 H new ATOM 0 HD23 LEU A 74 -6.962 9.369 12.377 1.00 12.35 H new ATOM 1281 N GLY A 75 -3.753 11.782 9.152 1.00 42.43 N ATOM 1282 CA GLY A 75 -2.708 12.605 8.559 1.00 30.22 C ATOM 1283 C GLY A 75 -1.319 11.984 8.671 1.00 40.13 C ATOM 1284 O GLY A 75 -0.578 12.293 9.609 1.00 42.31 O ATOM 0 H GLY A 75 -4.377 11.360 8.464 1.00 42.43 H new ATOM 0 HA2 GLY A 75 -2.940 12.774 7.507 1.00 30.22 H new ATOM 0 HA3 GLY A 75 -2.703 13.581 9.045 1.00 30.22 H new ATOM 1288 N TYR A 76 -0.977 11.085 7.729 1.00 72.31 N ATOM 1289 CA TYR A 76 0.380 10.509 7.612 1.00 52.20 C ATOM 1290 C TYR A 76 0.663 10.052 6.169 1.00 24.00 C ATOM 1291 O TYR A 76 -0.250 9.986 5.333 1.00 43.21 O ATOM 1292 CB TYR A 76 0.628 9.362 8.640 1.00 53.12 C ATOM 1293 CG TYR A 76 -0.363 8.177 8.620 1.00 12.34 C ATOM 1294 CD1 TYR A 76 -0.367 7.238 7.577 1.00 31.25 C ATOM 1295 CD2 TYR A 76 -1.264 7.973 9.668 1.00 52.42 C ATOM 1296 CE1 TYR A 76 -1.230 6.161 7.582 1.00 75.51 C ATOM 1297 CE2 TYR A 76 -2.117 6.889 9.677 1.00 35.00 C ATOM 1298 CZ TYR A 76 -2.100 5.988 8.636 1.00 53.31 C ATOM 1299 OH TYR A 76 -2.958 4.905 8.653 1.00 31.54 O ATOM 0 H TYR A 76 -1.631 10.737 7.028 1.00 72.31 H new ATOM 0 HA TYR A 76 1.088 11.300 7.857 1.00 52.20 H new ATOM 0 HB2 TYR A 76 1.631 8.968 8.473 1.00 53.12 H new ATOM 0 HB3 TYR A 76 0.618 9.795 9.640 1.00 53.12 H new ATOM 0 HD1 TYR A 76 0.320 7.361 6.753 1.00 31.25 H new ATOM 0 HD2 TYR A 76 -1.293 8.677 10.486 1.00 52.42 H new ATOM 0 HE1 TYR A 76 -1.223 5.457 6.763 1.00 75.51 H new ATOM 0 HE2 TYR A 76 -2.799 6.747 10.502 1.00 35.00 H new ATOM 0 HH TYR A 76 -2.452 4.084 8.476 1.00 31.54 H new ATOM 1309 N LYS A 77 1.944 9.728 5.908 1.00 35.20 N ATOM 1310 CA LYS A 77 2.444 9.375 4.570 1.00 13.14 C ATOM 1311 C LYS A 77 1.980 7.964 4.153 1.00 62.25 C ATOM 1312 O LYS A 77 2.155 6.993 4.904 1.00 63.14 O ATOM 1313 CB LYS A 77 3.992 9.451 4.539 1.00 54.14 C ATOM 1314 CG LYS A 77 4.624 9.215 3.147 1.00 4.44 C ATOM 1315 CD LYS A 77 4.336 10.365 2.158 1.00 4.33 C ATOM 1316 CE LYS A 77 4.789 10.039 0.730 1.00 43.11 C ATOM 1317 NZ LYS A 77 4.078 8.854 0.183 1.00 5.22 N ATOM 0 H LYS A 77 2.666 9.704 6.628 1.00 35.20 H new ATOM 0 HA LYS A 77 2.033 10.093 3.860 1.00 13.14 H new ATOM 0 HB2 LYS A 77 4.301 10.431 4.902 1.00 54.14 H new ATOM 0 HB3 LYS A 77 4.392 8.713 5.234 1.00 54.14 H new ATOM 0 HG2 LYS A 77 5.702 9.098 3.257 1.00 4.44 H new ATOM 0 HG3 LYS A 77 4.243 8.282 2.733 1.00 4.44 H new ATOM 0 HD2 LYS A 77 3.267 10.580 2.157 1.00 4.33 H new ATOM 0 HD3 LYS A 77 4.842 11.268 2.499 1.00 4.33 H new ATOM 0 HE2 LYS A 77 4.609 10.900 0.086 1.00 43.11 H new ATOM 0 HE3 LYS A 77 5.863 9.854 0.723 1.00 43.11 H new ATOM 0 HZ1 LYS A 77 4.227 8.804 -0.845 1.00 5.22 H new ATOM 0 HZ2 LYS A 77 4.448 7.991 0.629 1.00 5.22 H new ATOM 0 HZ3 LYS A 77 3.061 8.937 0.382 1.00 5.22 H new ATOM 1331 N VAL A 78 1.390 7.878 2.944 1.00 30.41 N ATOM 1332 CA VAL A 78 0.921 6.618 2.343 1.00 4.43 C ATOM 1333 C VAL A 78 1.661 6.364 1.023 1.00 23.44 C ATOM 1334 O VAL A 78 1.831 7.279 0.210 1.00 32.53 O ATOM 1335 CB VAL A 78 -0.628 6.654 2.076 1.00 72.12 C ATOM 1336 CG1 VAL A 78 -1.131 5.346 1.412 1.00 63.54 C ATOM 1337 CG2 VAL A 78 -1.398 6.936 3.383 1.00 1.11 C ATOM 0 H VAL A 78 1.225 8.692 2.352 1.00 30.41 H new ATOM 0 HA VAL A 78 1.130 5.812 3.046 1.00 4.43 H new ATOM 0 HB VAL A 78 -0.820 7.467 1.376 1.00 72.12 H new ATOM 0 HG11 VAL A 78 -2.206 5.413 1.245 1.00 63.54 H new ATOM 0 HG12 VAL A 78 -0.624 5.204 0.458 1.00 63.54 H new ATOM 0 HG13 VAL A 78 -0.917 4.501 2.066 1.00 63.54 H new ATOM 0 HG21 VAL A 78 -2.468 6.957 3.177 1.00 1.11 H new ATOM 0 HG22 VAL A 78 -1.183 6.151 4.108 1.00 1.11 H new ATOM 0 HG23 VAL A 78 -1.087 7.899 3.788 1.00 1.11 H new ATOM 1347 N PHE A 79 2.112 5.119 0.833 1.00 22.23 N ATOM 1348 CA PHE A 79 2.729 4.658 -0.410 1.00 30.03 C ATOM 1349 C PHE A 79 1.827 3.573 -1.016 1.00 32.15 C ATOM 1350 O PHE A 79 1.803 2.460 -0.517 1.00 63.31 O ATOM 1351 CB PHE A 79 4.120 4.059 -0.094 1.00 54.51 C ATOM 1352 CG PHE A 79 5.081 4.991 0.637 1.00 42.01 C ATOM 1353 CD1 PHE A 79 5.782 5.965 -0.056 1.00 31.55 C ATOM 1354 CD2 PHE A 79 5.301 4.876 2.012 1.00 75.23 C ATOM 1355 CE1 PHE A 79 6.668 6.791 0.591 1.00 1.50 C ATOM 1356 CE2 PHE A 79 6.187 5.709 2.660 1.00 33.22 C ATOM 1357 CZ PHE A 79 6.873 6.664 1.947 1.00 1.52 C ATOM 0 H PHE A 79 2.057 4.395 1.550 1.00 22.23 H new ATOM 0 HA PHE A 79 2.846 5.485 -1.111 1.00 30.03 H new ATOM 0 HB2 PHE A 79 3.982 3.161 0.508 1.00 54.51 H new ATOM 0 HB3 PHE A 79 4.584 3.747 -1.030 1.00 54.51 H new ATOM 0 HD1 PHE A 79 5.629 6.076 -1.119 1.00 31.55 H new ATOM 0 HD2 PHE A 79 4.769 4.123 2.575 1.00 75.23 H new ATOM 0 HE1 PHE A 79 7.206 7.544 0.034 1.00 1.50 H new ATOM 0 HE2 PHE A 79 6.342 5.612 3.724 1.00 33.22 H new ATOM 0 HZ PHE A 79 7.573 7.315 2.450 1.00 1.52 H new ATOM 1367 N LEU A 80 1.112 3.880 -2.097 1.00 11.22 N ATOM 1368 CA LEU A 80 0.152 2.937 -2.714 1.00 23.55 C ATOM 1369 C LEU A 80 0.674 2.476 -4.080 1.00 24.21 C ATOM 1370 O LEU A 80 1.195 3.271 -4.859 1.00 64.10 O ATOM 1371 CB LEU A 80 -1.271 3.580 -2.803 1.00 15.42 C ATOM 1372 CG LEU A 80 -2.387 2.780 -3.586 1.00 24.25 C ATOM 1373 CD1 LEU A 80 -2.501 1.316 -3.139 1.00 63.33 C ATOM 1374 CD2 LEU A 80 -3.760 3.482 -3.483 1.00 20.23 C ATOM 0 H LEU A 80 1.173 4.779 -2.574 1.00 11.22 H new ATOM 0 HA LEU A 80 0.058 2.052 -2.085 1.00 23.55 H new ATOM 0 HB2 LEU A 80 -1.628 3.748 -1.787 1.00 15.42 H new ATOM 0 HB3 LEU A 80 -1.169 4.559 -3.271 1.00 15.42 H new ATOM 0 HG LEU A 80 -2.073 2.772 -4.630 1.00 24.25 H new ATOM 0 HD11 LEU A 80 -3.284 0.820 -3.713 1.00 63.33 H new ATOM 0 HD12 LEU A 80 -1.551 0.809 -3.308 1.00 63.33 H new ATOM 0 HD13 LEU A 80 -2.749 1.278 -2.078 1.00 63.33 H new ATOM 0 HD21 LEU A 80 -4.505 2.906 -4.032 1.00 20.23 H new ATOM 0 HD22 LEU A 80 -4.055 3.552 -2.436 1.00 20.23 H new ATOM 0 HD23 LEU A 80 -3.690 4.483 -3.908 1.00 20.23 H new ATOM 1386 N LEU A 81 0.554 1.167 -4.325 1.00 2.41 N ATOM 1387 CA LEU A 81 0.952 0.522 -5.574 1.00 24.54 C ATOM 1388 C LEU A 81 -0.176 -0.408 -6.048 1.00 15.14 C ATOM 1389 O LEU A 81 -0.673 -1.243 -5.281 1.00 31.44 O ATOM 1390 CB LEU A 81 2.264 -0.275 -5.365 1.00 34.15 C ATOM 1391 CG LEU A 81 2.814 -1.061 -6.603 1.00 24.54 C ATOM 1392 CD1 LEU A 81 3.004 -0.134 -7.823 1.00 22.22 C ATOM 1393 CD2 LEU A 81 4.117 -1.806 -6.242 1.00 13.31 C ATOM 0 H LEU A 81 0.168 0.514 -3.643 1.00 2.41 H new ATOM 0 HA LEU A 81 1.130 1.280 -6.336 1.00 24.54 H new ATOM 0 HB2 LEU A 81 3.035 0.420 -5.033 1.00 34.15 H new ATOM 0 HB3 LEU A 81 2.105 -0.986 -4.554 1.00 34.15 H new ATOM 0 HG LEU A 81 2.072 -1.808 -6.885 1.00 24.54 H new ATOM 0 HD11 LEU A 81 3.387 -0.713 -8.664 1.00 22.22 H new ATOM 0 HD12 LEU A 81 2.047 0.311 -8.095 1.00 22.22 H new ATOM 0 HD13 LEU A 81 3.713 0.655 -7.573 1.00 22.22 H new ATOM 0 HD21 LEU A 81 4.482 -2.345 -7.116 1.00 13.31 H new ATOM 0 HD22 LEU A 81 4.870 -1.087 -5.919 1.00 13.31 H new ATOM 0 HD23 LEU A 81 3.921 -2.513 -5.436 1.00 13.31 H new ATOM 1405 N LEU A 82 -0.574 -0.234 -7.313 1.00 75.43 N ATOM 1406 CA LEU A 82 -1.579 -1.068 -7.991 1.00 52.10 C ATOM 1407 C LEU A 82 -0.862 -1.926 -9.036 1.00 62.34 C ATOM 1408 O LEU A 82 0.016 -1.421 -9.735 1.00 21.30 O ATOM 1409 CB LEU A 82 -2.627 -0.161 -8.682 1.00 1.42 C ATOM 1410 CG LEU A 82 -3.348 0.865 -7.757 1.00 12.45 C ATOM 1411 CD1 LEU A 82 -4.223 1.822 -8.579 1.00 44.24 C ATOM 1412 CD2 LEU A 82 -4.165 0.154 -6.648 1.00 4.41 C ATOM 0 H LEU A 82 -0.200 0.505 -7.908 1.00 75.43 H new ATOM 0 HA LEU A 82 -2.091 -1.706 -7.271 1.00 52.10 H new ATOM 0 HB2 LEU A 82 -2.134 0.386 -9.485 1.00 1.42 H new ATOM 0 HB3 LEU A 82 -3.381 -0.797 -9.146 1.00 1.42 H new ATOM 0 HG LEU A 82 -2.583 1.460 -7.258 1.00 12.45 H new ATOM 0 HD11 LEU A 82 -4.716 2.529 -7.911 1.00 44.24 H new ATOM 0 HD12 LEU A 82 -3.600 2.367 -9.288 1.00 44.24 H new ATOM 0 HD13 LEU A 82 -4.976 1.251 -9.122 1.00 44.24 H new ATOM 0 HD21 LEU A 82 -4.654 0.900 -6.022 1.00 4.41 H new ATOM 0 HD22 LEU A 82 -4.919 -0.487 -7.106 1.00 4.41 H new ATOM 0 HD23 LEU A 82 -3.497 -0.452 -6.036 1.00 4.41 H new ATOM 1424 N ALA A 83 -1.224 -3.214 -9.136 1.00 43.44 N ATOM 1425 CA ALA A 83 -0.616 -4.133 -10.111 1.00 22.13 C ATOM 1426 C ALA A 83 -1.638 -5.191 -10.569 1.00 10.34 C ATOM 1427 O ALA A 83 -2.169 -5.954 -9.750 1.00 0.01 O ATOM 1428 CB ALA A 83 0.644 -4.783 -9.522 1.00 62.04 C ATOM 0 H ALA A 83 -1.939 -3.645 -8.550 1.00 43.44 H new ATOM 0 HA ALA A 83 -0.316 -3.563 -10.990 1.00 22.13 H new ATOM 0 HB1 ALA A 83 1.081 -5.460 -10.256 1.00 62.04 H new ATOM 0 HB2 ALA A 83 1.367 -4.009 -9.266 1.00 62.04 H new ATOM 0 HB3 ALA A 83 0.379 -5.343 -8.625 1.00 62.04 H new ATOM 1434 N ASP A 84 -1.925 -5.183 -11.877 1.00 33.43 N ATOM 1435 CA ASP A 84 -2.773 -6.185 -12.552 1.00 4.41 C ATOM 1436 C ASP A 84 -2.769 -5.902 -14.065 1.00 65.33 C ATOM 1437 O ASP A 84 -2.404 -4.798 -14.502 1.00 50.45 O ATOM 1438 CB ASP A 84 -4.235 -6.196 -11.982 1.00 51.44 C ATOM 1439 CG ASP A 84 -5.185 -7.184 -12.686 1.00 20.52 C ATOM 1440 OD1 ASP A 84 -4.864 -8.393 -12.758 1.00 43.40 O ATOM 1441 OD2 ASP A 84 -6.230 -6.754 -13.204 1.00 31.41 O ATOM 0 H ASP A 84 -1.569 -4.468 -12.512 1.00 33.43 H new ATOM 0 HA ASP A 84 -2.362 -7.177 -12.364 1.00 4.41 H new ATOM 0 HB2 ASP A 84 -4.196 -6.442 -10.921 1.00 51.44 H new ATOM 0 HB3 ASP A 84 -4.651 -5.192 -12.062 1.00 51.44 H new ATOM 1446 N GLN A 85 -3.161 -6.921 -14.843 1.00 50.30 N ATOM 1447 CA GLN A 85 -3.267 -6.856 -16.304 1.00 52.00 C ATOM 1448 C GLN A 85 -4.318 -5.815 -16.760 1.00 65.13 C ATOM 1449 O GLN A 85 -4.108 -5.119 -17.763 1.00 64.23 O ATOM 1450 CB GLN A 85 -3.606 -8.266 -16.845 1.00 13.21 C ATOM 1451 CG GLN A 85 -2.559 -9.354 -16.488 1.00 71.40 C ATOM 1452 CD GLN A 85 -2.891 -10.751 -17.031 1.00 51.02 C ATOM 1453 OE1 GLN A 85 -1.992 -11.533 -17.364 1.00 11.21 O ATOM 1454 NE2 GLN A 85 -4.171 -11.099 -17.091 1.00 1.04 N ATOM 0 H GLN A 85 -3.418 -7.832 -14.464 1.00 50.30 H new ATOM 0 HA GLN A 85 -2.311 -6.528 -16.712 1.00 52.00 H new ATOM 0 HB2 GLN A 85 -4.577 -8.569 -16.453 1.00 13.21 H new ATOM 0 HB3 GLN A 85 -3.703 -8.213 -17.929 1.00 13.21 H new ATOM 0 HG2 GLN A 85 -1.587 -9.048 -16.875 1.00 71.40 H new ATOM 0 HG3 GLN A 85 -2.466 -9.411 -15.403 1.00 71.40 H new ATOM 0 HE21 GLN A 85 -4.893 -10.436 -16.811 1.00 1.04 H new ATOM 0 HE22 GLN A 85 -4.432 -12.030 -17.417 1.00 1.04 H new ATOM 1463 N ASP A 86 -5.445 -5.711 -16.022 1.00 22.44 N ATOM 1464 CA ASP A 86 -6.466 -4.664 -16.255 1.00 43.13 C ATOM 1465 C ASP A 86 -5.999 -3.339 -15.644 1.00 12.31 C ATOM 1466 O ASP A 86 -6.425 -2.940 -14.556 1.00 4.20 O ATOM 1467 CB ASP A 86 -7.868 -5.084 -15.715 1.00 0.44 C ATOM 1468 CG ASP A 86 -8.595 -6.061 -16.653 1.00 4.34 C ATOM 1469 OD1 ASP A 86 -8.416 -7.294 -16.521 1.00 64.11 O ATOM 1470 OD2 ASP A 86 -9.336 -5.600 -17.552 1.00 23.20 O ATOM 0 H ASP A 86 -5.672 -6.344 -15.255 1.00 22.44 H new ATOM 0 HA ASP A 86 -6.580 -4.531 -17.331 1.00 43.13 H new ATOM 0 HB2 ASP A 86 -7.752 -5.546 -14.735 1.00 0.44 H new ATOM 0 HB3 ASP A 86 -8.482 -4.194 -15.577 1.00 0.44 H new ATOM 1475 N GLU A 87 -5.087 -2.681 -16.369 1.00 2.54 N ATOM 1476 CA GLU A 87 -4.451 -1.422 -15.954 1.00 54.04 C ATOM 1477 C GLU A 87 -5.385 -0.213 -16.189 1.00 22.15 C ATOM 1478 O GLU A 87 -5.125 0.866 -15.665 1.00 51.42 O ATOM 1479 CB GLU A 87 -3.090 -1.221 -16.699 1.00 31.45 C ATOM 1480 CG GLU A 87 -3.165 -0.807 -18.195 1.00 41.35 C ATOM 1481 CD GLU A 87 -3.779 -1.874 -19.119 1.00 32.11 C ATOM 1482 OE1 GLU A 87 -3.055 -2.799 -19.539 1.00 60.53 O ATOM 1483 OE2 GLU A 87 -4.989 -1.804 -19.411 1.00 74.12 O ATOM 0 H GLU A 87 -4.763 -3.013 -17.277 1.00 2.54 H new ATOM 0 HA GLU A 87 -4.255 -1.486 -14.884 1.00 54.04 H new ATOM 0 HB2 GLU A 87 -2.519 -0.462 -16.165 1.00 31.45 H new ATOM 0 HB3 GLU A 87 -2.525 -2.151 -16.632 1.00 31.45 H new ATOM 0 HG2 GLU A 87 -3.751 0.108 -18.277 1.00 41.35 H new ATOM 0 HG3 GLU A 87 -2.160 -0.575 -18.546 1.00 41.35 H new ATOM 1490 N ASN A 88 -6.448 -0.414 -17.008 1.00 40.14 N ATOM 1491 CA ASN A 88 -7.443 0.636 -17.345 1.00 73.34 C ATOM 1492 C ASN A 88 -8.112 1.186 -16.078 1.00 34.53 C ATOM 1493 O ASN A 88 -8.053 2.387 -15.801 1.00 74.11 O ATOM 1494 CB ASN A 88 -8.542 0.072 -18.302 1.00 13.33 C ATOM 1495 CG ASN A 88 -9.580 1.124 -18.728 1.00 3.04 C ATOM 1496 OD1 ASN A 88 -9.423 1.798 -19.746 1.00 64.21 O ATOM 1497 ND2 ASN A 88 -10.641 1.286 -17.946 1.00 11.11 N ATOM 0 H ASN A 88 -6.640 -1.311 -17.454 1.00 40.14 H new ATOM 0 HA ASN A 88 -6.909 1.443 -17.846 1.00 73.34 H new ATOM 0 HB2 ASN A 88 -8.063 -0.336 -19.192 1.00 13.33 H new ATOM 0 HB3 ASN A 88 -9.054 -0.754 -17.808 1.00 13.33 H new ATOM 0 HD21 ASN A 88 -11.348 1.981 -18.184 1.00 11.11 H new ATOM 0 HD22 ASN A 88 -10.749 0.715 -17.108 1.00 11.11 H new ATOM 1504 N GLU A 89 -8.740 0.278 -15.313 1.00 50.13 N ATOM 1505 CA GLU A 89 -9.508 0.635 -14.114 1.00 3.41 C ATOM 1506 C GLU A 89 -8.585 1.060 -12.967 1.00 3.23 C ATOM 1507 O GLU A 89 -8.991 1.838 -12.106 1.00 61.53 O ATOM 1508 CB GLU A 89 -10.401 -0.538 -13.671 1.00 71.13 C ATOM 1509 CG GLU A 89 -9.641 -1.814 -13.240 1.00 74.14 C ATOM 1510 CD GLU A 89 -10.580 -2.906 -12.721 1.00 4.52 C ATOM 1511 OE1 GLU A 89 -11.341 -2.626 -11.769 1.00 31.20 O ATOM 1512 OE2 GLU A 89 -10.585 -4.028 -13.262 1.00 33.33 O ATOM 0 H GLU A 89 -8.728 -0.723 -15.510 1.00 50.13 H new ATOM 0 HA GLU A 89 -10.143 1.483 -14.370 1.00 3.41 H new ATOM 0 HB2 GLU A 89 -11.024 -0.207 -12.840 1.00 71.13 H new ATOM 0 HB3 GLU A 89 -11.072 -0.793 -14.491 1.00 71.13 H new ATOM 0 HG2 GLU A 89 -9.074 -2.199 -14.087 1.00 74.14 H new ATOM 0 HG3 GLU A 89 -8.920 -1.559 -12.463 1.00 74.14 H new ATOM 1519 N LEU A 90 -7.351 0.514 -12.962 1.00 32.11 N ATOM 1520 CA LEU A 90 -6.316 0.882 -11.991 1.00 30.42 C ATOM 1521 C LEU A 90 -5.788 2.297 -12.280 1.00 44.41 C ATOM 1522 O LEU A 90 -5.392 3.010 -11.357 1.00 72.41 O ATOM 1523 CB LEU A 90 -5.146 -0.133 -12.015 1.00 14.11 C ATOM 1524 CG LEU A 90 -5.480 -1.605 -11.645 1.00 35.11 C ATOM 1525 CD1 LEU A 90 -4.201 -2.474 -11.673 1.00 75.23 C ATOM 1526 CD2 LEU A 90 -6.205 -1.695 -10.280 1.00 1.24 C ATOM 0 H LEU A 90 -7.051 -0.193 -13.633 1.00 32.11 H new ATOM 0 HA LEU A 90 -6.766 0.866 -10.998 1.00 30.42 H new ATOM 0 HB2 LEU A 90 -4.712 -0.125 -13.015 1.00 14.11 H new ATOM 0 HB3 LEU A 90 -4.376 0.222 -11.330 1.00 14.11 H new ATOM 0 HG LEU A 90 -6.167 -1.997 -12.395 1.00 35.11 H new ATOM 0 HD11 LEU A 90 -4.454 -3.502 -11.411 1.00 75.23 H new ATOM 0 HD12 LEU A 90 -3.767 -2.450 -12.672 1.00 75.23 H new ATOM 0 HD13 LEU A 90 -3.480 -2.084 -10.955 1.00 75.23 H new ATOM 0 HD21 LEU A 90 -6.424 -2.738 -10.052 1.00 1.24 H new ATOM 0 HD22 LEU A 90 -5.566 -1.280 -9.501 1.00 1.24 H new ATOM 0 HD23 LEU A 90 -7.136 -1.131 -10.325 1.00 1.24 H new ATOM 1538 N GLU A 91 -5.779 2.675 -13.577 1.00 73.21 N ATOM 1539 CA GLU A 91 -5.392 4.022 -14.024 1.00 45.23 C ATOM 1540 C GLU A 91 -6.403 5.041 -13.471 1.00 40.41 C ATOM 1541 O GLU A 91 -6.022 6.063 -12.908 1.00 63.10 O ATOM 1542 CB GLU A 91 -5.344 4.104 -15.579 1.00 54.11 C ATOM 1543 CG GLU A 91 -4.692 5.391 -16.148 1.00 32.34 C ATOM 1544 CD GLU A 91 -3.163 5.427 -15.952 1.00 63.13 C ATOM 1545 OE1 GLU A 91 -2.696 5.801 -14.855 1.00 3.42 O ATOM 1546 OE2 GLU A 91 -2.418 5.029 -16.879 1.00 13.20 O ATOM 0 H GLU A 91 -6.041 2.051 -14.340 1.00 73.21 H new ATOM 0 HA GLU A 91 -4.394 4.247 -13.648 1.00 45.23 H new ATOM 0 HB2 GLU A 91 -4.797 3.240 -15.957 1.00 54.11 H new ATOM 0 HB3 GLU A 91 -6.361 4.030 -15.963 1.00 54.11 H new ATOM 0 HG2 GLU A 91 -4.919 5.467 -17.211 1.00 32.34 H new ATOM 0 HG3 GLU A 91 -5.136 6.261 -15.664 1.00 32.34 H new ATOM 1553 N GLU A 92 -7.700 4.693 -13.609 1.00 41.21 N ATOM 1554 CA GLU A 92 -8.823 5.504 -13.102 1.00 72.01 C ATOM 1555 C GLU A 92 -8.742 5.626 -11.571 1.00 65.33 C ATOM 1556 O GLU A 92 -8.817 6.724 -11.034 1.00 61.02 O ATOM 1557 CB GLU A 92 -10.171 4.860 -13.523 1.00 35.34 C ATOM 1558 CG GLU A 92 -10.345 4.704 -15.046 1.00 62.52 C ATOM 1559 CD GLU A 92 -11.683 4.054 -15.431 1.00 64.31 C ATOM 1560 OE1 GLU A 92 -12.691 4.783 -15.567 1.00 65.12 O ATOM 1561 OE2 GLU A 92 -11.739 2.820 -15.590 1.00 71.45 O ATOM 0 H GLU A 92 -7.997 3.837 -14.078 1.00 41.21 H new ATOM 0 HA GLU A 92 -8.761 6.504 -13.532 1.00 72.01 H new ATOM 0 HB2 GLU A 92 -10.254 3.879 -13.056 1.00 35.34 H new ATOM 0 HB3 GLU A 92 -10.989 5.468 -13.135 1.00 35.34 H new ATOM 0 HG2 GLU A 92 -10.274 5.684 -15.517 1.00 62.52 H new ATOM 0 HG3 GLU A 92 -9.527 4.101 -15.440 1.00 62.52 H new ATOM 1568 N PHE A 93 -8.530 4.468 -10.907 1.00 52.15 N ATOM 1569 CA PHE A 93 -8.429 4.347 -9.435 1.00 25.34 C ATOM 1570 C PHE A 93 -7.350 5.299 -8.884 1.00 43.30 C ATOM 1571 O PHE A 93 -7.620 6.106 -7.985 1.00 22.34 O ATOM 1572 CB PHE A 93 -8.102 2.866 -9.064 1.00 73.40 C ATOM 1573 CG PHE A 93 -8.151 2.525 -7.570 1.00 73.33 C ATOM 1574 CD1 PHE A 93 -7.051 2.747 -6.731 1.00 10.44 C ATOM 1575 CD2 PHE A 93 -9.291 1.961 -7.007 1.00 42.22 C ATOM 1576 CE1 PHE A 93 -7.093 2.417 -5.391 1.00 63.01 C ATOM 1577 CE2 PHE A 93 -9.327 1.629 -5.668 1.00 12.52 C ATOM 1578 CZ PHE A 93 -8.231 1.858 -4.860 1.00 60.45 C ATOM 0 H PHE A 93 -8.422 3.575 -11.388 1.00 52.15 H new ATOM 0 HA PHE A 93 -9.380 4.628 -8.984 1.00 25.34 H new ATOM 0 HB2 PHE A 93 -8.803 2.217 -9.589 1.00 73.40 H new ATOM 0 HB3 PHE A 93 -7.106 2.629 -9.439 1.00 73.40 H new ATOM 0 HD1 PHE A 93 -6.153 3.185 -7.141 1.00 10.44 H new ATOM 0 HD2 PHE A 93 -10.158 1.781 -7.625 1.00 42.22 H new ATOM 0 HE1 PHE A 93 -6.234 2.598 -4.762 1.00 63.01 H new ATOM 0 HE2 PHE A 93 -10.219 1.187 -5.249 1.00 12.52 H new ATOM 0 HZ PHE A 93 -8.268 1.598 -3.812 1.00 60.45 H new ATOM 1588 N LYS A 94 -6.141 5.221 -9.479 1.00 65.34 N ATOM 1589 CA LYS A 94 -4.986 5.995 -9.022 1.00 13.13 C ATOM 1590 C LYS A 94 -5.142 7.490 -9.349 1.00 35.41 C ATOM 1591 O LYS A 94 -4.500 8.314 -8.710 1.00 43.32 O ATOM 1592 CB LYS A 94 -3.658 5.456 -9.615 1.00 14.12 C ATOM 1593 CG LYS A 94 -3.459 5.658 -11.149 1.00 60.22 C ATOM 1594 CD LYS A 94 -2.031 6.108 -11.530 1.00 64.22 C ATOM 1595 CE LYS A 94 -1.659 7.469 -10.917 1.00 1.44 C ATOM 1596 NZ LYS A 94 -0.323 7.933 -11.358 1.00 71.43 N ATOM 0 H LYS A 94 -5.947 4.623 -10.282 1.00 65.34 H new ATOM 0 HA LYS A 94 -4.945 5.881 -7.939 1.00 13.13 H new ATOM 0 HB2 LYS A 94 -2.830 5.938 -9.095 1.00 14.12 H new ATOM 0 HB3 LYS A 94 -3.593 4.390 -9.398 1.00 14.12 H new ATOM 0 HG2 LYS A 94 -3.687 4.724 -11.663 1.00 60.22 H new ATOM 0 HG3 LYS A 94 -4.173 6.401 -11.506 1.00 60.22 H new ATOM 0 HD2 LYS A 94 -1.316 5.356 -11.198 1.00 64.22 H new ATOM 0 HD3 LYS A 94 -1.950 6.168 -12.615 1.00 64.22 H new ATOM 0 HE2 LYS A 94 -2.409 8.209 -11.196 1.00 1.44 H new ATOM 0 HE3 LYS A 94 -1.675 7.393 -9.830 1.00 1.44 H new ATOM 0 HZ1 LYS A 94 -0.241 8.958 -11.199 1.00 71.43 H new ATOM 0 HZ2 LYS A 94 0.413 7.439 -10.814 1.00 71.43 H new ATOM 0 HZ3 LYS A 94 -0.201 7.729 -12.370 1.00 71.43 H new ATOM 1610 N ARG A 95 -5.983 7.827 -10.353 1.00 10.25 N ATOM 1611 CA ARG A 95 -6.282 9.233 -10.695 1.00 20.33 C ATOM 1612 C ARG A 95 -6.986 9.939 -9.519 1.00 20.42 C ATOM 1613 O ARG A 95 -6.631 11.071 -9.185 1.00 11.21 O ATOM 1614 CB ARG A 95 -7.140 9.337 -11.990 1.00 52.04 C ATOM 1615 CG ARG A 95 -6.382 9.084 -13.318 1.00 35.32 C ATOM 1616 CD ARG A 95 -5.534 10.286 -13.792 1.00 12.23 C ATOM 1617 NE ARG A 95 -4.423 10.631 -12.874 1.00 65.15 N ATOM 1618 CZ ARG A 95 -3.948 11.874 -12.670 1.00 22.13 C ATOM 1619 NH1 ARG A 95 -4.468 12.923 -13.305 1.00 24.33 N ATOM 1620 NH2 ARG A 95 -2.944 12.056 -11.839 1.00 2.25 N ATOM 0 H ARG A 95 -6.465 7.145 -10.938 1.00 10.25 H new ATOM 0 HA ARG A 95 -5.334 9.736 -10.886 1.00 20.33 H new ATOM 0 HB2 ARG A 95 -7.960 8.623 -11.919 1.00 52.04 H new ATOM 0 HB3 ARG A 95 -7.585 10.331 -12.030 1.00 52.04 H new ATOM 0 HG2 ARG A 95 -5.731 8.218 -13.195 1.00 35.32 H new ATOM 0 HG3 ARG A 95 -7.104 8.832 -14.095 1.00 35.32 H new ATOM 0 HD2 ARG A 95 -5.124 10.064 -14.777 1.00 12.23 H new ATOM 0 HD3 ARG A 95 -6.183 11.155 -13.905 1.00 12.23 H new ATOM 0 HE ARG A 95 -3.985 9.869 -12.357 1.00 65.15 H new ATOM 0 HH11 ARG A 95 -5.240 12.792 -13.959 1.00 24.33 H new ATOM 0 HH12 ARG A 95 -4.095 13.857 -13.137 1.00 24.33 H new ATOM 0 HH21 ARG A 95 -2.532 11.258 -11.355 1.00 2.25 H new ATOM 0 HH22 ARG A 95 -2.578 12.995 -11.679 1.00 2.25 H new ATOM 1634 N LYS A 96 -7.973 9.246 -8.897 1.00 45.51 N ATOM 1635 CA LYS A 96 -8.687 9.766 -7.708 1.00 62.01 C ATOM 1636 C LYS A 96 -7.705 9.931 -6.540 1.00 43.31 C ATOM 1637 O LYS A 96 -7.538 11.028 -6.024 1.00 13.31 O ATOM 1638 CB LYS A 96 -9.871 8.845 -7.263 1.00 60.34 C ATOM 1639 CG LYS A 96 -11.142 8.885 -8.144 1.00 0.45 C ATOM 1640 CD LYS A 96 -10.973 8.174 -9.499 1.00 32.33 C ATOM 1641 CE LYS A 96 -12.299 8.004 -10.253 1.00 3.44 C ATOM 1642 NZ LYS A 96 -13.247 7.142 -9.496 1.00 31.30 N ATOM 0 H LYS A 96 -8.291 8.326 -9.201 1.00 45.51 H new ATOM 0 HA LYS A 96 -9.110 10.730 -7.989 1.00 62.01 H new ATOM 0 HB2 LYS A 96 -9.510 7.817 -7.230 1.00 60.34 H new ATOM 0 HB3 LYS A 96 -10.152 9.117 -6.246 1.00 60.34 H new ATOM 0 HG2 LYS A 96 -11.966 8.423 -7.600 1.00 0.45 H new ATOM 0 HG3 LYS A 96 -11.420 9.924 -8.320 1.00 0.45 H new ATOM 0 HD2 LYS A 96 -10.279 8.743 -10.118 1.00 32.33 H new ATOM 0 HD3 LYS A 96 -10.525 7.194 -9.336 1.00 32.33 H new ATOM 0 HE2 LYS A 96 -12.750 8.981 -10.424 1.00 3.44 H new ATOM 0 HE3 LYS A 96 -12.109 7.565 -11.233 1.00 3.44 H new ATOM 0 HZ1 LYS A 96 -13.999 6.810 -10.133 1.00 31.30 H new ATOM 0 HZ2 LYS A 96 -12.737 6.323 -9.107 1.00 31.30 H new ATOM 0 HZ3 LYS A 96 -13.668 7.689 -8.718 1.00 31.30 H new ATOM 1656 N ILE A 97 -7.018 8.824 -6.196 1.00 32.04 N ATOM 1657 CA ILE A 97 -6.176 8.725 -4.983 1.00 23.51 C ATOM 1658 C ILE A 97 -4.994 9.729 -5.015 1.00 13.23 C ATOM 1659 O ILE A 97 -4.648 10.335 -3.990 1.00 14.15 O ATOM 1660 CB ILE A 97 -5.643 7.251 -4.795 1.00 21.03 C ATOM 1661 CG1 ILE A 97 -6.818 6.210 -4.832 1.00 61.34 C ATOM 1662 CG2 ILE A 97 -4.821 7.101 -3.492 1.00 34.53 C ATOM 1663 CD1 ILE A 97 -7.954 6.453 -3.841 1.00 25.23 C ATOM 0 H ILE A 97 -7.030 7.969 -6.752 1.00 32.04 H new ATOM 0 HA ILE A 97 -6.803 8.985 -4.130 1.00 23.51 H new ATOM 0 HB ILE A 97 -4.978 7.043 -5.633 1.00 21.03 H new ATOM 0 HG12 ILE A 97 -7.236 6.198 -5.839 1.00 61.34 H new ATOM 0 HG13 ILE A 97 -6.405 5.218 -4.646 1.00 61.34 H new ATOM 0 HG21 ILE A 97 -4.472 6.073 -3.398 1.00 34.53 H new ATOM 0 HG22 ILE A 97 -3.964 7.774 -3.523 1.00 34.53 H new ATOM 0 HG23 ILE A 97 -5.448 7.351 -2.636 1.00 34.53 H new ATOM 0 HD11 ILE A 97 -8.709 5.675 -3.955 1.00 25.23 H new ATOM 0 HD12 ILE A 97 -7.561 6.431 -2.825 1.00 25.23 H new ATOM 0 HD13 ILE A 97 -8.404 7.426 -4.035 1.00 25.23 H new ATOM 1675 N GLU A 98 -4.413 9.924 -6.215 1.00 63.24 N ATOM 1676 CA GLU A 98 -3.288 10.861 -6.431 1.00 23.55 C ATOM 1677 C GLU A 98 -3.770 12.314 -6.321 1.00 71.42 C ATOM 1678 O GLU A 98 -3.052 13.179 -5.801 1.00 64.24 O ATOM 1679 CB GLU A 98 -2.618 10.577 -7.803 1.00 54.53 C ATOM 1680 CG GLU A 98 -1.259 11.271 -8.041 1.00 14.21 C ATOM 1681 CD GLU A 98 -0.464 10.628 -9.196 1.00 73.42 C ATOM 1682 OE1 GLU A 98 -0.902 10.728 -10.360 1.00 25.32 O ATOM 1683 OE2 GLU A 98 0.591 10.000 -8.943 1.00 42.41 O ATOM 0 H GLU A 98 -4.708 9.438 -7.062 1.00 63.24 H new ATOM 0 HA GLU A 98 -2.538 10.709 -5.655 1.00 23.55 H new ATOM 0 HB2 GLU A 98 -2.478 9.501 -7.902 1.00 54.53 H new ATOM 0 HB3 GLU A 98 -3.305 10.883 -8.592 1.00 54.53 H new ATOM 0 HG2 GLU A 98 -1.426 12.325 -8.262 1.00 14.21 H new ATOM 0 HG3 GLU A 98 -0.667 11.227 -7.127 1.00 14.21 H new ATOM 1690 N SER A 99 -5.016 12.552 -6.766 1.00 22.44 N ATOM 1691 CA SER A 99 -5.662 13.874 -6.697 1.00 4.01 C ATOM 1692 C SER A 99 -6.084 14.193 -5.242 1.00 34.00 C ATOM 1693 O SER A 99 -6.162 15.365 -4.850 1.00 2.44 O ATOM 1694 CB SER A 99 -6.880 13.906 -7.645 1.00 0.20 C ATOM 1695 OG SER A 99 -7.486 15.186 -7.685 1.00 23.12 O ATOM 0 H SER A 99 -5.604 11.832 -7.184 1.00 22.44 H new ATOM 0 HA SER A 99 -4.952 14.638 -7.015 1.00 4.01 H new ATOM 0 HB2 SER A 99 -6.566 13.622 -8.649 1.00 0.20 H new ATOM 0 HB3 SER A 99 -7.613 13.168 -7.319 1.00 0.20 H new ATOM 0 HG SER A 99 -8.252 15.167 -8.296 1.00 23.12 H new ATOM 1701 N GLN A 100 -6.344 13.127 -4.450 1.00 2.24 N ATOM 1702 CA GLN A 100 -6.687 13.228 -3.014 1.00 32.44 C ATOM 1703 C GLN A 100 -5.434 13.514 -2.153 1.00 52.44 C ATOM 1704 O GLN A 100 -5.551 13.749 -0.947 1.00 35.31 O ATOM 1705 CB GLN A 100 -7.384 11.918 -2.549 1.00 62.14 C ATOM 1706 CG GLN A 100 -8.771 11.663 -3.187 1.00 72.43 C ATOM 1707 CD GLN A 100 -9.376 10.285 -2.869 1.00 64.14 C ATOM 1708 OE1 GLN A 100 -10.108 9.710 -3.686 1.00 13.40 O ATOM 1709 NE2 GLN A 100 -9.109 9.749 -1.683 1.00 65.24 N ATOM 0 H GLN A 100 -6.321 12.167 -4.793 1.00 2.24 H new ATOM 0 HA GLN A 100 -7.372 14.066 -2.882 1.00 32.44 H new ATOM 0 HB2 GLN A 100 -6.733 11.075 -2.779 1.00 62.14 H new ATOM 0 HB3 GLN A 100 -7.497 11.948 -1.465 1.00 62.14 H new ATOM 0 HG2 GLN A 100 -9.461 12.436 -2.847 1.00 72.43 H new ATOM 0 HG3 GLN A 100 -8.684 11.767 -4.269 1.00 72.43 H new ATOM 0 HE21 GLN A 100 -8.503 10.241 -1.026 1.00 65.24 H new ATOM 0 HE22 GLN A 100 -9.510 8.846 -1.430 1.00 65.24 H new ATOM 1718 N GLY A 101 -4.243 13.474 -2.782 1.00 13.10 N ATOM 1719 CA GLY A 101 -2.990 13.884 -2.138 1.00 75.00 C ATOM 1720 C GLY A 101 -2.182 12.720 -1.582 1.00 34.21 C ATOM 1721 O GLY A 101 -1.346 12.915 -0.693 1.00 23.15 O ATOM 0 H GLY A 101 -4.128 13.158 -3.745 1.00 13.10 H new ATOM 0 HA2 GLY A 101 -2.380 14.426 -2.861 1.00 75.00 H new ATOM 0 HA3 GLY A 101 -3.217 14.577 -1.328 1.00 75.00 H new ATOM 1725 N TYR A 102 -2.433 11.503 -2.096 1.00 63.22 N ATOM 1726 CA TYR A 102 -1.653 10.302 -1.730 1.00 62.45 C ATOM 1727 C TYR A 102 -0.731 9.921 -2.886 1.00 54.41 C ATOM 1728 O TYR A 102 -1.081 10.121 -4.059 1.00 43.12 O ATOM 1729 CB TYR A 102 -2.579 9.107 -1.398 1.00 20.51 C ATOM 1730 CG TYR A 102 -3.631 9.414 -0.331 1.00 71.04 C ATOM 1731 CD1 TYR A 102 -3.279 9.525 1.016 1.00 53.01 C ATOM 1732 CD2 TYR A 102 -4.972 9.618 -0.673 1.00 73.42 C ATOM 1733 CE1 TYR A 102 -4.221 9.821 1.975 1.00 64.41 C ATOM 1734 CE2 TYR A 102 -5.915 9.918 0.286 1.00 4.35 C ATOM 1735 CZ TYR A 102 -5.533 10.017 1.606 1.00 14.40 C ATOM 1736 OH TYR A 102 -6.461 10.329 2.563 1.00 10.43 O ATOM 0 H TYR A 102 -3.176 11.322 -2.772 1.00 63.22 H new ATOM 0 HA TYR A 102 -1.066 10.537 -0.842 1.00 62.45 H new ATOM 0 HB2 TYR A 102 -3.083 8.787 -2.310 1.00 20.51 H new ATOM 0 HB3 TYR A 102 -1.968 8.270 -1.061 1.00 20.51 H new ATOM 0 HD1 TYR A 102 -2.251 9.376 1.310 1.00 53.01 H new ATOM 0 HD2 TYR A 102 -5.274 9.539 -1.707 1.00 73.42 H new ATOM 0 HE1 TYR A 102 -3.932 9.899 3.013 1.00 64.41 H new ATOM 0 HE2 TYR A 102 -6.946 10.074 0.005 1.00 4.35 H new ATOM 0 HH TYR A 102 -6.952 9.520 2.819 1.00 10.43 H new ATOM 1746 N GLU A 103 0.444 9.380 -2.553 1.00 62.44 N ATOM 1747 CA GLU A 103 1.366 8.836 -3.544 1.00 12.33 C ATOM 1748 C GLU A 103 0.849 7.468 -3.986 1.00 51.45 C ATOM 1749 O GLU A 103 0.735 6.555 -3.167 1.00 5.10 O ATOM 1750 CB GLU A 103 2.802 8.740 -2.970 1.00 71.44 C ATOM 1751 CG GLU A 103 3.832 8.101 -3.937 1.00 5.43 C ATOM 1752 CD GLU A 103 5.299 8.173 -3.472 1.00 3.20 C ATOM 1753 OE1 GLU A 103 5.560 8.359 -2.268 1.00 22.51 O ATOM 1754 OE2 GLU A 103 6.198 8.042 -4.323 1.00 51.53 O ATOM 0 H GLU A 103 0.779 9.309 -1.592 1.00 62.44 H new ATOM 0 HA GLU A 103 1.416 9.500 -4.407 1.00 12.33 H new ATOM 0 HB2 GLU A 103 3.142 9.741 -2.704 1.00 71.44 H new ATOM 0 HB3 GLU A 103 2.775 8.157 -2.049 1.00 71.44 H new ATOM 0 HG2 GLU A 103 3.566 7.055 -4.087 1.00 5.43 H new ATOM 0 HG3 GLU A 103 3.750 8.592 -4.906 1.00 5.43 H new ATOM 1761 N VAL A 104 0.489 7.355 -5.271 1.00 54.33 N ATOM 1762 CA VAL A 104 0.015 6.101 -5.860 1.00 74.24 C ATOM 1763 C VAL A 104 0.624 5.909 -7.252 1.00 24.00 C ATOM 1764 O VAL A 104 0.583 6.798 -8.114 1.00 52.34 O ATOM 1765 CB VAL A 104 -1.554 6.005 -5.906 1.00 14.04 C ATOM 1766 CG1 VAL A 104 -2.188 7.233 -6.574 1.00 32.44 C ATOM 1767 CG2 VAL A 104 -2.022 4.686 -6.582 1.00 42.01 C ATOM 0 H VAL A 104 0.519 8.133 -5.930 1.00 54.33 H new ATOM 0 HA VAL A 104 0.349 5.291 -5.212 1.00 74.24 H new ATOM 0 HB VAL A 104 -1.902 5.990 -4.873 1.00 14.04 H new ATOM 0 HG11 VAL A 104 -3.272 7.123 -6.583 1.00 32.44 H new ATOM 0 HG12 VAL A 104 -1.919 8.130 -6.016 1.00 32.44 H new ATOM 0 HG13 VAL A 104 -1.823 7.319 -7.598 1.00 32.44 H new ATOM 0 HG21 VAL A 104 -3.111 4.652 -6.597 1.00 42.01 H new ATOM 0 HG22 VAL A 104 -1.643 4.646 -7.603 1.00 42.01 H new ATOM 0 HG23 VAL A 104 -1.640 3.834 -6.020 1.00 42.01 H new ATOM 1777 N ARG A 105 1.223 4.734 -7.429 1.00 52.33 N ATOM 1778 CA ARG A 105 1.834 4.299 -8.678 1.00 65.43 C ATOM 1779 C ARG A 105 1.002 3.133 -9.229 1.00 2.23 C ATOM 1780 O ARG A 105 0.390 2.383 -8.455 1.00 22.14 O ATOM 1781 CB ARG A 105 3.294 3.853 -8.412 1.00 14.51 C ATOM 1782 CG ARG A 105 4.143 4.861 -7.592 1.00 40.11 C ATOM 1783 CD ARG A 105 4.278 6.234 -8.262 1.00 44.52 C ATOM 1784 NE ARG A 105 5.072 7.170 -7.451 1.00 12.11 N ATOM 1785 CZ ARG A 105 5.243 8.475 -7.723 1.00 70.24 C ATOM 1786 NH1 ARG A 105 4.676 9.037 -8.788 1.00 54.30 N ATOM 1787 NH2 ARG A 105 5.993 9.211 -6.927 1.00 54.01 N ATOM 0 H ARG A 105 1.298 4.040 -6.685 1.00 52.33 H new ATOM 0 HA ARG A 105 1.855 5.111 -9.405 1.00 65.43 H new ATOM 0 HB2 ARG A 105 3.277 2.900 -7.884 1.00 14.51 H new ATOM 0 HB3 ARG A 105 3.786 3.679 -9.369 1.00 14.51 H new ATOM 0 HG2 ARG A 105 3.691 4.988 -6.608 1.00 40.11 H new ATOM 0 HG3 ARG A 105 5.137 4.443 -7.435 1.00 40.11 H new ATOM 0 HD2 ARG A 105 4.745 6.115 -9.240 1.00 44.52 H new ATOM 0 HD3 ARG A 105 3.286 6.653 -8.432 1.00 44.52 H new ATOM 0 HE ARG A 105 5.528 6.800 -6.617 1.00 12.11 H new ATOM 0 HH11 ARG A 105 4.100 8.475 -9.415 1.00 54.30 H new ATOM 0 HH12 ARG A 105 4.818 10.029 -8.977 1.00 54.30 H new ATOM 0 HH21 ARG A 105 6.438 8.789 -6.112 1.00 54.01 H new ATOM 0 HH22 ARG A 105 6.128 10.202 -7.126 1.00 54.01 H new ATOM 1801 N LYS A 106 0.982 2.972 -10.553 1.00 60.41 N ATOM 1802 CA LYS A 106 0.185 1.928 -11.217 1.00 14.23 C ATOM 1803 C LYS A 106 1.051 1.216 -12.259 1.00 72.23 C ATOM 1804 O LYS A 106 1.457 1.816 -13.261 1.00 53.10 O ATOM 1805 CB LYS A 106 -1.090 2.561 -11.847 1.00 3.31 C ATOM 1806 CG LYS A 106 -2.145 1.564 -12.397 1.00 12.03 C ATOM 1807 CD LYS A 106 -1.865 0.991 -13.816 1.00 23.34 C ATOM 1808 CE LYS A 106 -2.080 2.012 -14.952 1.00 62.43 C ATOM 1809 NZ LYS A 106 -1.158 3.181 -14.899 1.00 23.23 N ATOM 0 H LYS A 106 1.514 3.557 -11.197 1.00 60.41 H new ATOM 0 HA LYS A 106 -0.145 1.184 -10.492 1.00 14.23 H new ATOM 0 HB2 LYS A 106 -1.569 3.188 -11.095 1.00 3.31 H new ATOM 0 HB3 LYS A 106 -0.781 3.218 -12.660 1.00 3.31 H new ATOM 0 HG2 LYS A 106 -2.227 0.730 -11.700 1.00 12.03 H new ATOM 0 HG3 LYS A 106 -3.114 2.063 -12.413 1.00 12.03 H new ATOM 0 HD2 LYS A 106 -0.838 0.628 -13.855 1.00 23.34 H new ATOM 0 HD3 LYS A 106 -2.513 0.131 -13.985 1.00 23.34 H new ATOM 0 HE2 LYS A 106 -1.954 1.506 -15.909 1.00 62.43 H new ATOM 0 HE3 LYS A 106 -3.108 2.371 -14.914 1.00 62.43 H new ATOM 0 HZ1 LYS A 106 -1.038 3.572 -15.855 1.00 23.23 H new ATOM 0 HZ2 LYS A 106 -1.558 3.910 -14.275 1.00 23.23 H new ATOM 0 HZ3 LYS A 106 -0.234 2.878 -14.530 1.00 23.23 H new ATOM 1823 N VAL A 107 1.302 -0.076 -12.020 1.00 2.35 N ATOM 1824 CA VAL A 107 2.169 -0.931 -12.854 1.00 4.11 C ATOM 1825 C VAL A 107 1.399 -2.187 -13.321 1.00 21.51 C ATOM 1826 O VAL A 107 0.213 -2.361 -13.008 1.00 61.53 O ATOM 1827 CB VAL A 107 3.460 -1.353 -12.050 1.00 1.03 C ATOM 1828 CG1 VAL A 107 4.260 -0.117 -11.566 1.00 55.12 C ATOM 1829 CG2 VAL A 107 3.099 -2.277 -10.866 1.00 10.43 C ATOM 0 H VAL A 107 0.901 -0.572 -11.224 1.00 2.35 H new ATOM 0 HA VAL A 107 2.473 -0.362 -13.732 1.00 4.11 H new ATOM 0 HB VAL A 107 4.101 -1.912 -12.732 1.00 1.03 H new ATOM 0 HG11 VAL A 107 5.142 -0.447 -11.016 1.00 55.12 H new ATOM 0 HG12 VAL A 107 4.569 0.476 -12.427 1.00 55.12 H new ATOM 0 HG13 VAL A 107 3.632 0.490 -10.914 1.00 55.12 H new ATOM 0 HG21 VAL A 107 4.007 -2.552 -10.329 1.00 10.43 H new ATOM 0 HG22 VAL A 107 2.422 -1.754 -10.190 1.00 10.43 H new ATOM 0 HG23 VAL A 107 2.613 -3.177 -11.242 1.00 10.43 H new ATOM 1839 N THR A 108 2.098 -3.043 -14.087 1.00 74.41 N ATOM 1840 CA THR A 108 1.586 -4.349 -14.555 1.00 2.20 C ATOM 1841 C THR A 108 2.588 -5.467 -14.203 1.00 4.13 C ATOM 1842 O THR A 108 2.213 -6.492 -13.621 1.00 24.54 O ATOM 1843 CB THR A 108 1.329 -4.327 -16.107 1.00 51.42 C ATOM 1844 OG1 THR A 108 2.506 -3.839 -16.778 1.00 30.43 O ATOM 1845 CG2 THR A 108 0.119 -3.450 -16.482 1.00 63.20 C ATOM 0 H THR A 108 3.047 -2.847 -14.404 1.00 74.41 H new ATOM 0 HA THR A 108 0.639 -4.545 -14.053 1.00 2.20 H new ATOM 0 HB THR A 108 1.106 -5.346 -16.423 1.00 51.42 H new ATOM 0 HG1 THR A 108 2.349 -3.826 -17.745 1.00 30.43 H new ATOM 0 HG21 THR A 108 -0.020 -3.465 -17.563 1.00 63.20 H new ATOM 0 HG22 THR A 108 -0.776 -3.838 -15.996 1.00 63.20 H new ATOM 0 HG23 THR A 108 0.296 -2.426 -16.153 1.00 63.20 H new ATOM 1853 N ASP A 109 3.872 -5.236 -14.552 1.00 10.25 N ATOM 1854 CA ASP A 109 4.953 -6.238 -14.406 1.00 13.41 C ATOM 1855 C ASP A 109 5.393 -6.410 -12.948 1.00 44.24 C ATOM 1856 O ASP A 109 5.279 -5.485 -12.132 1.00 63.41 O ATOM 1857 CB ASP A 109 6.182 -5.845 -15.266 1.00 12.43 C ATOM 1858 CG ASP A 109 5.887 -5.857 -16.773 1.00 44.25 C ATOM 1859 OD1 ASP A 109 5.292 -4.879 -17.277 1.00 44.24 O ATOM 1860 OD2 ASP A 109 6.262 -6.831 -17.464 1.00 53.31 O ATOM 0 H ASP A 109 4.190 -4.349 -14.943 1.00 10.25 H new ATOM 0 HA ASP A 109 4.546 -7.188 -14.752 1.00 13.41 H new ATOM 0 HB2 ASP A 109 6.519 -4.850 -14.975 1.00 12.43 H new ATOM 0 HB3 ASP A 109 7.001 -6.533 -15.056 1.00 12.43 H new ATOM 1865 N ASP A 110 5.934 -7.608 -12.669 1.00 60.21 N ATOM 1866 CA ASP A 110 6.476 -7.995 -11.354 1.00 43.23 C ATOM 1867 C ASP A 110 7.714 -7.153 -11.009 1.00 21.01 C ATOM 1868 O ASP A 110 7.754 -6.509 -9.960 1.00 31.10 O ATOM 1869 CB ASP A 110 6.824 -9.515 -11.354 1.00 2.41 C ATOM 1870 CG ASP A 110 7.702 -9.970 -10.166 1.00 45.31 C ATOM 1871 OD1 ASP A 110 7.160 -10.281 -9.093 1.00 52.15 O ATOM 1872 OD2 ASP A 110 8.948 -10.028 -10.320 1.00 1.44 O ATOM 0 H ASP A 110 6.009 -8.350 -13.365 1.00 60.21 H new ATOM 0 HA ASP A 110 5.720 -7.807 -10.591 1.00 43.23 H new ATOM 0 HB2 ASP A 110 5.896 -10.087 -11.344 1.00 2.41 H new ATOM 0 HB3 ASP A 110 7.339 -9.757 -12.284 1.00 2.41 H new ATOM 1877 N GLU A 111 8.705 -7.163 -11.925 1.00 52.21 N ATOM 1878 CA GLU A 111 9.998 -6.471 -11.733 1.00 24.02 C ATOM 1879 C GLU A 111 9.793 -4.946 -11.611 1.00 74.35 C ATOM 1880 O GLU A 111 10.471 -4.278 -10.826 1.00 71.13 O ATOM 1881 CB GLU A 111 10.966 -6.812 -12.899 1.00 61.13 C ATOM 1882 CG GLU A 111 10.466 -6.386 -14.301 1.00 42.24 C ATOM 1883 CD GLU A 111 11.411 -6.793 -15.444 1.00 1.52 C ATOM 1884 OE1 GLU A 111 12.521 -6.225 -15.539 1.00 21.22 O ATOM 1885 OE2 GLU A 111 11.039 -7.664 -16.262 1.00 23.41 O ATOM 0 H GLU A 111 8.632 -7.650 -12.818 1.00 52.21 H new ATOM 0 HA GLU A 111 10.444 -6.820 -10.802 1.00 24.02 H new ATOM 0 HB2 GLU A 111 11.926 -6.331 -12.709 1.00 61.13 H new ATOM 0 HB3 GLU A 111 11.144 -7.887 -12.903 1.00 61.13 H new ATOM 0 HG2 GLU A 111 9.485 -6.828 -14.477 1.00 42.24 H new ATOM 0 HG3 GLU A 111 10.335 -5.304 -14.317 1.00 42.24 H new ATOM 1892 N GLU A 112 8.823 -4.428 -12.386 1.00 15.53 N ATOM 1893 CA GLU A 112 8.443 -3.016 -12.382 1.00 53.43 C ATOM 1894 C GLU A 112 7.859 -2.624 -11.008 1.00 0.10 C ATOM 1895 O GLU A 112 8.190 -1.574 -10.477 1.00 61.01 O ATOM 1896 CB GLU A 112 7.432 -2.757 -13.537 1.00 30.24 C ATOM 1897 CG GLU A 112 7.028 -1.281 -13.757 1.00 3.23 C ATOM 1898 CD GLU A 112 8.231 -0.329 -13.909 1.00 72.41 C ATOM 1899 OE1 GLU A 112 8.957 -0.417 -14.926 1.00 23.23 O ATOM 1900 OE2 GLU A 112 8.454 0.520 -13.022 1.00 65.52 O ATOM 0 H GLU A 112 8.278 -4.991 -13.039 1.00 15.53 H new ATOM 0 HA GLU A 112 9.321 -2.392 -12.548 1.00 53.43 H new ATOM 0 HB2 GLU A 112 7.861 -3.139 -14.463 1.00 30.24 H new ATOM 0 HB3 GLU A 112 6.529 -3.336 -13.342 1.00 30.24 H new ATOM 0 HG2 GLU A 112 6.406 -1.212 -14.649 1.00 3.23 H new ATOM 0 HG3 GLU A 112 6.418 -0.951 -12.916 1.00 3.23 H new ATOM 1907 N ALA A 113 7.031 -3.516 -10.433 1.00 22.44 N ATOM 1908 CA ALA A 113 6.413 -3.310 -9.112 1.00 22.52 C ATOM 1909 C ALA A 113 7.441 -3.361 -7.964 1.00 20.44 C ATOM 1910 O ALA A 113 7.385 -2.526 -7.061 1.00 5.35 O ATOM 1911 CB ALA A 113 5.321 -4.347 -8.888 1.00 23.51 C ATOM 0 H ALA A 113 6.772 -4.400 -10.872 1.00 22.44 H new ATOM 0 HA ALA A 113 5.981 -2.309 -9.106 1.00 22.52 H new ATOM 0 HB1 ALA A 113 4.866 -4.191 -7.910 1.00 23.51 H new ATOM 0 HB2 ALA A 113 4.560 -4.247 -9.662 1.00 23.51 H new ATOM 0 HB3 ALA A 113 5.754 -5.346 -8.932 1.00 23.51 H new ATOM 1917 N LEU A 114 8.367 -4.351 -8.016 1.00 34.32 N ATOM 1918 CA LEU A 114 9.445 -4.518 -7.007 1.00 23.10 C ATOM 1919 C LEU A 114 10.345 -3.274 -6.970 1.00 50.02 C ATOM 1920 O LEU A 114 10.807 -2.862 -5.900 1.00 12.44 O ATOM 1921 CB LEU A 114 10.298 -5.783 -7.307 1.00 64.40 C ATOM 1922 CG LEU A 114 9.570 -7.155 -7.172 1.00 20.12 C ATOM 1923 CD1 LEU A 114 10.498 -8.316 -7.576 1.00 64.52 C ATOM 1924 CD2 LEU A 114 9.017 -7.360 -5.744 1.00 23.20 C ATOM 0 H LEU A 114 8.388 -5.054 -8.755 1.00 34.32 H new ATOM 0 HA LEU A 114 8.974 -4.643 -6.032 1.00 23.10 H new ATOM 0 HB2 LEU A 114 10.687 -5.701 -8.322 1.00 64.40 H new ATOM 0 HB3 LEU A 114 11.157 -5.784 -6.636 1.00 64.40 H new ATOM 0 HG LEU A 114 8.722 -7.147 -7.857 1.00 20.12 H new ATOM 0 HD11 LEU A 114 9.965 -9.261 -7.472 1.00 64.52 H new ATOM 0 HD12 LEU A 114 10.811 -8.188 -8.612 1.00 64.52 H new ATOM 0 HD13 LEU A 114 11.376 -8.322 -6.930 1.00 64.52 H new ATOM 0 HD21 LEU A 114 8.515 -8.326 -5.683 1.00 23.20 H new ATOM 0 HD22 LEU A 114 9.839 -7.332 -5.028 1.00 23.20 H new ATOM 0 HD23 LEU A 114 8.306 -6.567 -5.512 1.00 23.20 H new ATOM 1936 N LYS A 115 10.555 -2.681 -8.162 1.00 12.53 N ATOM 1937 CA LYS A 115 11.280 -1.427 -8.331 1.00 50.02 C ATOM 1938 C LYS A 115 10.565 -0.308 -7.561 1.00 12.01 C ATOM 1939 O LYS A 115 11.197 0.427 -6.814 1.00 64.30 O ATOM 1940 CB LYS A 115 11.339 -1.082 -9.833 1.00 75.53 C ATOM 1941 CG LYS A 115 11.885 0.329 -10.166 1.00 14.15 C ATOM 1942 CD LYS A 115 11.472 0.791 -11.574 1.00 22.11 C ATOM 1943 CE LYS A 115 12.095 -0.042 -12.706 1.00 52.20 C ATOM 1944 NZ LYS A 115 11.676 0.460 -14.044 1.00 32.25 N ATOM 0 H LYS A 115 10.217 -3.073 -9.041 1.00 12.53 H new ATOM 0 HA LYS A 115 12.293 -1.529 -7.941 1.00 50.02 H new ATOM 0 HB2 LYS A 115 11.962 -1.823 -10.335 1.00 75.53 H new ATOM 0 HB3 LYS A 115 10.336 -1.173 -10.250 1.00 75.53 H new ATOM 0 HG2 LYS A 115 11.518 1.043 -9.428 1.00 14.15 H new ATOM 0 HG3 LYS A 115 12.972 0.324 -10.091 1.00 14.15 H new ATOM 0 HD2 LYS A 115 10.386 0.746 -11.657 1.00 22.11 H new ATOM 0 HD3 LYS A 115 11.759 1.835 -11.703 1.00 22.11 H new ATOM 0 HE2 LYS A 115 13.182 -0.010 -12.628 1.00 52.20 H new ATOM 0 HE3 LYS A 115 11.798 -1.085 -12.598 1.00 52.20 H new ATOM 0 HZ1 LYS A 115 12.382 0.182 -14.756 1.00 32.25 H new ATOM 0 HZ2 LYS A 115 10.753 0.052 -14.294 1.00 32.25 H new ATOM 0 HZ3 LYS A 115 11.601 1.497 -14.018 1.00 32.25 H new ATOM 1958 N ILE A 116 9.231 -0.226 -7.747 1.00 21.44 N ATOM 1959 CA ILE A 116 8.393 0.832 -7.162 1.00 5.43 C ATOM 1960 C ILE A 116 8.328 0.738 -5.616 1.00 73.42 C ATOM 1961 O ILE A 116 8.234 1.760 -4.933 1.00 42.31 O ATOM 1962 CB ILE A 116 6.956 0.832 -7.801 1.00 74.30 C ATOM 1963 CG1 ILE A 116 7.022 1.086 -9.347 1.00 21.11 C ATOM 1964 CG2 ILE A 116 6.036 1.861 -7.126 1.00 4.51 C ATOM 1965 CD1 ILE A 116 7.724 2.368 -9.780 1.00 73.51 C ATOM 0 H ILE A 116 8.707 -0.896 -8.310 1.00 21.44 H new ATOM 0 HA ILE A 116 8.865 1.786 -7.398 1.00 5.43 H new ATOM 0 HB ILE A 116 6.531 -0.158 -7.634 1.00 74.30 H new ATOM 0 HG12 ILE A 116 7.529 0.241 -9.813 1.00 21.11 H new ATOM 0 HG13 ILE A 116 6.004 1.102 -9.737 1.00 21.11 H new ATOM 0 HG21 ILE A 116 5.052 1.832 -7.594 1.00 4.51 H new ATOM 0 HG22 ILE A 116 5.941 1.624 -6.066 1.00 4.51 H new ATOM 0 HG23 ILE A 116 6.462 2.858 -7.238 1.00 4.51 H new ATOM 0 HD11 ILE A 116 7.711 2.441 -10.867 1.00 73.51 H new ATOM 0 HD12 ILE A 116 7.208 3.228 -9.352 1.00 73.51 H new ATOM 0 HD13 ILE A 116 8.756 2.354 -9.430 1.00 73.51 H new ATOM 1977 N VAL A 117 8.402 -0.488 -5.079 1.00 35.13 N ATOM 1978 CA VAL A 117 8.512 -0.717 -3.623 1.00 70.42 C ATOM 1979 C VAL A 117 9.835 -0.112 -3.089 1.00 24.10 C ATOM 1980 O VAL A 117 9.857 0.532 -2.035 1.00 44.44 O ATOM 1981 CB VAL A 117 8.424 -2.249 -3.284 1.00 64.33 C ATOM 1982 CG1 VAL A 117 8.570 -2.516 -1.764 1.00 4.42 C ATOM 1983 CG2 VAL A 117 7.103 -2.842 -3.826 1.00 73.24 C ATOM 0 H VAL A 117 8.388 -1.345 -5.632 1.00 35.13 H new ATOM 0 HA VAL A 117 7.675 -0.220 -3.132 1.00 70.42 H new ATOM 0 HB VAL A 117 9.260 -2.746 -3.776 1.00 64.33 H new ATOM 0 HG11 VAL A 117 8.503 -3.587 -1.575 1.00 4.42 H new ATOM 0 HG12 VAL A 117 9.536 -2.146 -1.421 1.00 4.42 H new ATOM 0 HG13 VAL A 117 7.773 -2.002 -1.226 1.00 4.42 H new ATOM 0 HG21 VAL A 117 7.055 -3.904 -3.584 1.00 73.24 H new ATOM 0 HG22 VAL A 117 6.258 -2.327 -3.369 1.00 73.24 H new ATOM 0 HG23 VAL A 117 7.063 -2.714 -4.908 1.00 73.24 H new ATOM 1993 N ARG A 118 10.914 -0.297 -3.871 1.00 14.42 N ATOM 1994 CA ARG A 118 12.257 0.240 -3.561 1.00 75.21 C ATOM 1995 C ARG A 118 12.310 1.771 -3.785 1.00 61.15 C ATOM 1996 O ARG A 118 13.116 2.465 -3.155 1.00 14.21 O ATOM 1997 CB ARG A 118 13.325 -0.488 -4.417 1.00 54.14 C ATOM 1998 CG ARG A 118 13.408 -2.016 -4.167 1.00 54.40 C ATOM 1999 CD ARG A 118 14.297 -2.734 -5.195 1.00 74.55 C ATOM 2000 NE ARG A 118 14.364 -4.191 -4.974 1.00 60.52 N ATOM 2001 CZ ARG A 118 15.183 -5.032 -5.629 1.00 21.14 C ATOM 2002 NH1 ARG A 118 16.022 -4.590 -6.561 1.00 62.02 N ATOM 2003 NH2 ARG A 118 15.164 -6.323 -5.338 1.00 54.51 N ATOM 0 H ARG A 118 10.881 -0.826 -4.742 1.00 14.42 H new ATOM 0 HA ARG A 118 12.472 0.058 -2.508 1.00 75.21 H new ATOM 0 HB2 ARG A 118 13.109 -0.315 -5.471 1.00 54.14 H new ATOM 0 HB3 ARG A 118 14.300 -0.045 -4.215 1.00 54.14 H new ATOM 0 HG2 ARG A 118 13.798 -2.196 -3.165 1.00 54.40 H new ATOM 0 HG3 ARG A 118 12.405 -2.441 -4.199 1.00 54.40 H new ATOM 0 HD2 ARG A 118 13.915 -2.540 -6.197 1.00 74.55 H new ATOM 0 HD3 ARG A 118 15.304 -2.318 -5.152 1.00 74.55 H new ATOM 0 HE ARG A 118 13.742 -4.590 -4.271 1.00 60.52 H new ATOM 0 HH11 ARG A 118 16.052 -3.597 -6.790 1.00 62.02 H new ATOM 0 HH12 ARG A 118 16.635 -5.244 -7.047 1.00 62.02 H new ATOM 0 HH21 ARG A 118 14.530 -6.675 -4.620 1.00 54.51 H new ATOM 0 HH22 ARG A 118 15.783 -6.966 -5.831 1.00 54.51 H new ATOM 2017 N GLU A 119 11.438 2.282 -4.688 1.00 30.11 N ATOM 2018 CA GLU A 119 11.233 3.732 -4.895 1.00 52.42 C ATOM 2019 C GLU A 119 10.664 4.349 -3.604 1.00 44.41 C ATOM 2020 O GLU A 119 11.137 5.387 -3.142 1.00 23.21 O ATOM 2021 CB GLU A 119 10.249 3.989 -6.078 1.00 74.34 C ATOM 2022 CG GLU A 119 10.738 3.563 -7.478 1.00 72.41 C ATOM 2023 CD GLU A 119 11.716 4.548 -8.123 1.00 22.24 C ATOM 2024 OE1 GLU A 119 11.255 5.575 -8.672 1.00 14.32 O ATOM 2025 OE2 GLU A 119 12.937 4.306 -8.097 1.00 61.30 O ATOM 0 H GLU A 119 10.859 1.699 -5.292 1.00 30.11 H new ATOM 0 HA GLU A 119 12.190 4.193 -5.139 1.00 52.42 H new ATOM 0 HB2 GLU A 119 9.316 3.466 -5.867 1.00 74.34 H new ATOM 0 HB3 GLU A 119 10.018 5.054 -6.106 1.00 74.34 H new ATOM 0 HG2 GLU A 119 11.218 2.587 -7.402 1.00 72.41 H new ATOM 0 HG3 GLU A 119 9.874 3.443 -8.132 1.00 72.41 H new ATOM 2032 N PHE A 120 9.637 3.667 -3.045 1.00 12.25 N ATOM 2033 CA PHE A 120 8.965 4.056 -1.790 1.00 64.44 C ATOM 2034 C PHE A 120 9.948 4.107 -0.604 1.00 55.20 C ATOM 2035 O PHE A 120 9.804 4.961 0.276 1.00 44.33 O ATOM 2036 CB PHE A 120 7.802 3.070 -1.467 1.00 64.51 C ATOM 2037 CG PHE A 120 6.626 3.073 -2.454 1.00 65.30 C ATOM 2038 CD1 PHE A 120 6.264 4.230 -3.158 1.00 61.33 C ATOM 2039 CD2 PHE A 120 5.846 1.924 -2.640 1.00 31.11 C ATOM 2040 CE1 PHE A 120 5.182 4.230 -4.016 1.00 71.22 C ATOM 2041 CE2 PHE A 120 4.760 1.933 -3.492 1.00 24.42 C ATOM 2042 CZ PHE A 120 4.428 3.086 -4.177 1.00 4.14 C ATOM 0 H PHE A 120 9.249 2.820 -3.461 1.00 12.25 H new ATOM 0 HA PHE A 120 8.562 5.058 -1.937 1.00 64.44 H new ATOM 0 HB2 PHE A 120 8.210 2.060 -1.421 1.00 64.51 H new ATOM 0 HB3 PHE A 120 7.418 3.304 -0.474 1.00 64.51 H new ATOM 0 HD1 PHE A 120 6.840 5.134 -3.027 1.00 61.33 H new ATOM 0 HD2 PHE A 120 6.098 1.018 -2.109 1.00 31.11 H new ATOM 0 HE1 PHE A 120 4.926 5.126 -4.561 1.00 71.22 H new ATOM 0 HE2 PHE A 120 4.170 1.038 -3.623 1.00 24.42 H new ATOM 0 HZ PHE A 120 3.576 3.092 -4.840 1.00 4.14 H new ATOM 2052 N MET A 121 10.951 3.193 -0.611 1.00 13.32 N ATOM 2053 CA MET A 121 11.975 3.092 0.461 1.00 2.32 C ATOM 2054 C MET A 121 12.809 4.378 0.591 1.00 22.44 C ATOM 2055 O MET A 121 13.281 4.708 1.683 1.00 10.30 O ATOM 2056 CB MET A 121 12.927 1.892 0.215 1.00 10.34 C ATOM 2057 CG MET A 121 12.234 0.533 0.209 1.00 71.31 C ATOM 2058 SD MET A 121 11.330 0.215 1.734 1.00 4.35 S ATOM 2059 CE MET A 121 10.632 -1.388 1.370 1.00 5.53 C ATOM 0 H MET A 121 11.073 2.508 -1.357 1.00 13.32 H new ATOM 0 HA MET A 121 11.429 2.939 1.392 1.00 2.32 H new ATOM 0 HB2 MET A 121 13.432 2.034 -0.741 1.00 10.34 H new ATOM 0 HB3 MET A 121 13.698 1.891 0.986 1.00 10.34 H new ATOM 0 HG2 MET A 121 11.546 0.483 -0.635 1.00 71.31 H new ATOM 0 HG3 MET A 121 12.978 -0.250 0.061 1.00 71.31 H new ATOM 0 HE1 MET A 121 10.254 -1.837 2.288 1.00 5.53 H new ATOM 0 HE2 MET A 121 9.814 -1.276 0.658 1.00 5.53 H new ATOM 0 HE3 MET A 121 11.401 -2.031 0.941 1.00 5.53 H new ATOM 2069 N GLN A 122 12.985 5.083 -0.543 1.00 34.35 N ATOM 2070 CA GLN A 122 13.754 6.339 -0.609 1.00 21.22 C ATOM 2071 C GLN A 122 13.044 7.451 0.186 1.00 3.41 C ATOM 2072 O GLN A 122 13.680 8.191 0.942 1.00 41.30 O ATOM 2073 CB GLN A 122 13.931 6.773 -2.085 1.00 24.44 C ATOM 2074 CG GLN A 122 14.543 5.697 -3.004 1.00 12.21 C ATOM 2075 CD GLN A 122 14.628 6.147 -4.459 1.00 24.45 C ATOM 2076 OE1 GLN A 122 13.702 5.941 -5.239 1.00 42.44 O ATOM 2077 NE2 GLN A 122 15.721 6.795 -4.833 1.00 15.23 N ATOM 0 H GLN A 122 12.596 4.796 -1.441 1.00 34.35 H new ATOM 0 HA GLN A 122 14.735 6.169 -0.166 1.00 21.22 H new ATOM 0 HB2 GLN A 122 12.958 7.062 -2.484 1.00 24.44 H new ATOM 0 HB3 GLN A 122 14.564 7.660 -2.115 1.00 24.44 H new ATOM 0 HG2 GLN A 122 15.541 5.445 -2.647 1.00 12.21 H new ATOM 0 HG3 GLN A 122 13.944 4.789 -2.943 1.00 12.21 H new ATOM 0 HE21 GLN A 122 16.475 6.952 -4.164 1.00 15.23 H new ATOM 0 HE22 GLN A 122 15.809 7.137 -5.790 1.00 15.23 H new ATOM 2086 N LYS A 123 11.710 7.533 0.007 1.00 73.22 N ATOM 2087 CA LYS A 123 10.865 8.558 0.656 1.00 62.12 C ATOM 2088 C LYS A 123 10.583 8.169 2.120 1.00 31.45 C ATOM 2089 O LYS A 123 10.473 9.037 2.982 1.00 42.13 O ATOM 2090 CB LYS A 123 9.518 8.782 -0.107 1.00 25.25 C ATOM 2091 CG LYS A 123 9.629 9.338 -1.555 1.00 51.15 C ATOM 2092 CD LYS A 123 10.154 8.297 -2.573 1.00 44.30 C ATOM 2093 CE LYS A 123 10.286 8.845 -3.996 1.00 21.02 C ATOM 2094 NZ LYS A 123 10.865 7.830 -4.919 1.00 52.14 N ATOM 0 H LYS A 123 11.188 6.892 -0.590 1.00 73.22 H new ATOM 0 HA LYS A 123 11.418 9.497 0.629 1.00 62.12 H new ATOM 0 HB2 LYS A 123 8.985 7.832 -0.146 1.00 25.25 H new ATOM 0 HB3 LYS A 123 8.905 9.468 0.477 1.00 25.25 H new ATOM 0 HG2 LYS A 123 8.649 9.689 -1.878 1.00 51.15 H new ATOM 0 HG3 LYS A 123 10.293 10.202 -1.555 1.00 51.15 H new ATOM 0 HD2 LYS A 123 11.127 7.934 -2.240 1.00 44.30 H new ATOM 0 HD3 LYS A 123 9.481 7.440 -2.584 1.00 44.30 H new ATOM 0 HE2 LYS A 123 9.306 9.153 -4.361 1.00 21.02 H new ATOM 0 HE3 LYS A 123 10.917 9.733 -3.988 1.00 21.02 H new ATOM 0 HZ1 LYS A 123 11.784 8.165 -5.271 1.00 52.14 H new ATOM 0 HZ2 LYS A 123 10.996 6.933 -4.410 1.00 52.14 H new ATOM 0 HZ3 LYS A 123 10.220 7.682 -5.721 1.00 52.14 H new ATOM 2108 N ALA A 124 10.495 6.849 2.384 1.00 2.01 N ATOM 2109 CA ALA A 124 10.209 6.301 3.726 1.00 5.33 C ATOM 2110 C ALA A 124 11.417 6.485 4.657 1.00 42.34 C ATOM 2111 O ALA A 124 11.261 6.724 5.865 1.00 50.53 O ATOM 2112 CB ALA A 124 9.824 4.819 3.619 1.00 0.01 C ATOM 0 H ALA A 124 10.621 6.131 1.670 1.00 2.01 H new ATOM 0 HA ALA A 124 9.369 6.848 4.154 1.00 5.33 H new ATOM 0 HB1 ALA A 124 9.615 4.425 4.613 1.00 0.01 H new ATOM 0 HB2 ALA A 124 8.936 4.718 2.995 1.00 0.01 H new ATOM 0 HB3 ALA A 124 10.647 4.261 3.173 1.00 0.01 H new ATOM 2118 N GLY A 125 12.620 6.327 4.075 1.00 73.55 N ATOM 2119 CA GLY A 125 13.869 6.645 4.758 1.00 61.25 C ATOM 2120 C GLY A 125 13.975 8.140 5.032 1.00 0.03 C ATOM 2121 O GLY A 125 14.401 8.553 6.114 1.00 12.53 O ATOM 0 H GLY A 125 12.744 5.977 3.125 1.00 73.55 H new ATOM 0 HA2 GLY A 125 13.925 6.095 5.697 1.00 61.25 H new ATOM 0 HA3 GLY A 125 14.713 6.322 4.149 1.00 61.25 H new ATOM 2125 N SER A 126 13.537 8.947 4.043 1.00 72.23 N ATOM 2126 CA SER A 126 13.485 10.420 4.138 1.00 34.51 C ATOM 2127 C SER A 126 12.519 10.889 5.258 1.00 43.34 C ATOM 2128 O SER A 126 12.685 11.991 5.784 1.00 64.10 O ATOM 2129 CB SER A 126 13.079 11.006 2.762 1.00 30.11 C ATOM 2130 OG SER A 126 12.965 12.425 2.788 1.00 21.24 O ATOM 0 H SER A 126 13.206 8.590 3.147 1.00 72.23 H new ATOM 0 HA SER A 126 14.475 10.789 4.406 1.00 34.51 H new ATOM 0 HB2 SER A 126 13.818 10.717 2.015 1.00 30.11 H new ATOM 0 HB3 SER A 126 12.128 10.573 2.453 1.00 30.11 H new ATOM 0 HG SER A 126 12.709 12.749 1.899 1.00 21.24 H new ATOM 2136 N LEU A 127 11.526 10.036 5.613 1.00 54.34 N ATOM 2137 CA LEU A 127 10.604 10.298 6.742 1.00 12.51 C ATOM 2138 C LEU A 127 11.372 10.170 8.066 1.00 53.34 C ATOM 2139 O LEU A 127 11.218 10.996 8.969 1.00 24.01 O ATOM 2140 CB LEU A 127 9.402 9.310 6.741 1.00 24.11 C ATOM 2141 CG LEU A 127 8.496 9.322 5.473 1.00 13.41 C ATOM 2142 CD1 LEU A 127 7.408 8.233 5.554 1.00 20.11 C ATOM 2143 CD2 LEU A 127 7.883 10.718 5.226 1.00 71.44 C ATOM 0 H LEU A 127 11.344 9.157 5.129 1.00 54.34 H new ATOM 0 HA LEU A 127 10.209 11.308 6.630 1.00 12.51 H new ATOM 0 HB2 LEU A 127 9.790 8.300 6.874 1.00 24.11 H new ATOM 0 HB3 LEU A 127 8.779 9.529 7.608 1.00 24.11 H new ATOM 0 HG LEU A 127 9.129 9.092 4.616 1.00 13.41 H new ATOM 0 HD11 LEU A 127 6.792 8.266 4.655 1.00 20.11 H new ATOM 0 HD12 LEU A 127 7.879 7.253 5.635 1.00 20.11 H new ATOM 0 HD13 LEU A 127 6.782 8.408 6.429 1.00 20.11 H new ATOM 0 HD21 LEU A 127 7.258 10.688 4.334 1.00 71.44 H new ATOM 0 HD22 LEU A 127 7.277 11.006 6.085 1.00 71.44 H new ATOM 0 HD23 LEU A 127 8.682 11.446 5.085 1.00 71.44 H new ATOM 2155 N GLU A 128 12.207 9.111 8.151 1.00 53.21 N ATOM 2156 CA GLU A 128 13.029 8.811 9.343 1.00 23.13 C ATOM 2157 C GLU A 128 14.125 9.885 9.534 1.00 63.11 C ATOM 2158 O GLU A 128 14.618 10.092 10.651 1.00 32.43 O ATOM 2159 CB GLU A 128 13.662 7.400 9.216 1.00 63.34 C ATOM 2160 CG GLU A 128 14.317 6.877 10.517 1.00 51.22 C ATOM 2161 CD GLU A 128 15.095 5.568 10.327 1.00 62.14 C ATOM 2162 OE1 GLU A 128 14.464 4.532 10.026 1.00 22.34 O ATOM 2163 OE2 GLU A 128 16.339 5.569 10.475 1.00 40.13 O ATOM 0 H GLU A 128 12.330 8.439 7.393 1.00 53.21 H new ATOM 0 HA GLU A 128 12.384 8.825 10.222 1.00 23.13 H new ATOM 0 HB2 GLU A 128 12.891 6.696 8.902 1.00 63.34 H new ATOM 0 HB3 GLU A 128 14.414 7.422 8.427 1.00 63.34 H new ATOM 0 HG2 GLU A 128 14.993 7.639 10.906 1.00 51.22 H new ATOM 0 HG3 GLU A 128 13.542 6.724 11.268 1.00 51.22 H new ATOM 2170 N HIS A 129 14.500 10.561 8.429 1.00 25.03 N ATOM 2171 CA HIS A 129 15.380 11.742 8.468 1.00 71.20 C ATOM 2172 C HIS A 129 14.576 12.958 8.961 1.00 11.50 C ATOM 2173 O HIS A 129 14.148 13.803 8.163 1.00 64.41 O ATOM 2174 CB HIS A 129 16.017 12.027 7.075 1.00 42.44 C ATOM 2175 CG HIS A 129 17.136 11.104 6.675 1.00 61.22 C ATOM 2176 ND1 HIS A 129 18.392 11.560 6.329 1.00 74.25 N ATOM 2177 CD2 HIS A 129 17.189 9.758 6.540 1.00 75.22 C ATOM 2178 CE1 HIS A 129 19.153 10.540 6.001 1.00 51.15 C ATOM 2179 NE2 HIS A 129 18.447 9.438 6.117 1.00 11.43 N ATOM 0 H HIS A 129 14.201 10.303 7.488 1.00 25.03 H new ATOM 0 HA HIS A 129 16.199 11.544 9.160 1.00 71.20 H new ATOM 0 HB2 HIS A 129 15.234 11.971 6.318 1.00 42.44 H new ATOM 0 HB3 HIS A 129 16.393 13.050 7.069 1.00 42.44 H new ATOM 0 HD2 HIS A 129 16.384 9.064 6.732 1.00 75.22 H new ATOM 0 HE1 HIS A 129 20.185 10.598 5.689 1.00 51.15 H new ATOM 0 HE2 HIS A 129 18.784 8.495 5.922 1.00 11.43 H new ATOM 2188 N HIS A 130 14.321 12.995 10.283 1.00 50.23 N ATOM 2189 CA HIS A 130 13.680 14.138 10.942 1.00 64.34 C ATOM 2190 C HIS A 130 14.671 15.304 10.946 1.00 64.44 C ATOM 2191 O HIS A 130 15.856 15.094 11.225 1.00 65.34 O ATOM 2192 CB HIS A 130 13.255 13.774 12.391 1.00 2.24 C ATOM 2193 CG HIS A 130 12.564 14.889 13.142 1.00 65.42 C ATOM 2194 ND1 HIS A 130 13.239 15.803 13.929 1.00 55.45 N ATOM 2195 CD2 HIS A 130 11.256 15.236 13.216 1.00 32.11 C ATOM 2196 CE1 HIS A 130 12.380 16.657 14.448 1.00 23.41 C ATOM 2197 NE2 HIS A 130 11.172 16.333 14.029 1.00 23.12 N ATOM 0 H HIS A 130 14.555 12.233 10.919 1.00 50.23 H new ATOM 0 HA HIS A 130 12.777 14.418 10.400 1.00 64.34 H new ATOM 0 HB2 HIS A 130 12.590 12.911 12.355 1.00 2.24 H new ATOM 0 HB3 HIS A 130 14.140 13.471 12.950 1.00 2.24 H new ATOM 0 HD2 HIS A 130 10.433 14.739 12.724 1.00 32.11 H new ATOM 0 HE1 HIS A 130 12.623 17.480 15.103 1.00 23.41 H new ATOM 0 HE2 HIS A 130 10.311 16.823 14.273 1.00 23.12 H new ATOM 2206 N HIS A 131 14.190 16.508 10.613 1.00 75.25 N ATOM 2207 CA HIS A 131 15.025 17.719 10.556 1.00 2.11 C ATOM 2208 C HIS A 131 15.533 18.071 11.970 1.00 62.04 C ATOM 2209 O HIS A 131 14.858 18.758 12.742 1.00 25.24 O ATOM 2210 CB HIS A 131 14.248 18.891 9.907 1.00 52.23 C ATOM 2211 CG HIS A 131 13.948 18.684 8.441 1.00 43.11 C ATOM 2212 ND1 HIS A 131 14.647 19.313 7.433 1.00 14.31 N ATOM 2213 CD2 HIS A 131 13.030 17.909 7.818 1.00 71.50 C ATOM 2214 CE1 HIS A 131 14.170 18.938 6.266 1.00 53.35 C ATOM 2215 NE2 HIS A 131 13.191 18.085 6.470 1.00 45.25 N ATOM 0 H HIS A 131 13.212 16.672 10.375 1.00 75.25 H new ATOM 0 HA HIS A 131 15.894 17.528 9.926 1.00 2.11 H new ATOM 0 HB2 HIS A 131 13.310 19.035 10.444 1.00 52.23 H new ATOM 0 HB3 HIS A 131 14.826 19.808 10.024 1.00 52.23 H new ATOM 0 HD2 HIS A 131 12.304 17.269 8.297 1.00 71.50 H new ATOM 0 HE1 HIS A 131 14.523 19.274 5.302 1.00 53.35 H new ATOM 0 HE2 HIS A 131 12.641 17.629 5.742 1.00 45.25 H new ATOM 2224 N HIS A 132 16.709 17.513 12.305 1.00 5.20 N ATOM 2225 CA HIS A 132 17.341 17.659 13.623 1.00 33.04 C ATOM 2226 C HIS A 132 18.579 18.562 13.503 1.00 24.34 C ATOM 2227 O HIS A 132 19.479 18.290 12.704 1.00 15.23 O ATOM 2228 CB HIS A 132 17.695 16.260 14.223 1.00 13.11 C ATOM 2229 CG HIS A 132 18.689 15.423 13.433 1.00 3.42 C ATOM 2230 ND1 HIS A 132 18.318 14.518 12.463 1.00 24.54 N ATOM 2231 CD2 HIS A 132 20.045 15.357 13.487 1.00 63.51 C ATOM 2232 CE1 HIS A 132 19.393 13.940 11.965 1.00 23.23 C ATOM 2233 NE2 HIS A 132 20.448 14.432 12.566 1.00 12.43 N ATOM 0 H HIS A 132 17.252 16.941 11.658 1.00 5.20 H new ATOM 0 HA HIS A 132 16.641 18.133 14.311 1.00 33.04 H new ATOM 0 HB2 HIS A 132 18.093 16.408 15.227 1.00 13.11 H new ATOM 0 HB3 HIS A 132 16.773 15.689 14.328 1.00 13.11 H new ATOM 0 HD1 HIS A 132 17.359 14.325 12.174 1.00 24.54 H new ATOM 0 HD2 HIS A 132 20.687 15.931 14.139 1.00 63.51 H new ATOM 0 HE1 HIS A 132 19.402 13.187 11.191 1.00 23.23 H new ATOM 2242 N HIS A 133 18.599 19.653 14.280 1.00 4.01 N ATOM 2243 CA HIS A 133 19.712 20.622 14.275 1.00 1.11 C ATOM 2244 C HIS A 133 20.901 20.098 15.107 1.00 24.40 C ATOM 2245 O HIS A 133 20.768 19.104 15.834 1.00 4.21 O ATOM 2246 CB HIS A 133 19.217 21.999 14.796 1.00 32.12 C ATOM 2247 CG HIS A 133 18.152 22.624 13.931 1.00 33.33 C ATOM 2248 ND1 HIS A 133 17.005 23.194 14.428 1.00 54.21 N ATOM 2249 CD2 HIS A 133 18.079 22.772 12.588 1.00 11.12 C ATOM 2250 CE1 HIS A 133 16.280 23.665 13.435 1.00 22.44 C ATOM 2251 NE2 HIS A 133 16.906 23.419 12.307 1.00 32.14 N ATOM 0 H HIS A 133 17.849 19.892 14.929 1.00 4.01 H new ATOM 0 HA HIS A 133 20.064 20.750 13.251 1.00 1.11 H new ATOM 0 HB2 HIS A 133 18.827 21.877 15.807 1.00 32.12 H new ATOM 0 HB3 HIS A 133 20.066 22.680 14.862 1.00 32.12 H new ATOM 0 HD2 HIS A 133 18.813 22.440 11.869 1.00 11.12 H new ATOM 0 HE1 HIS A 133 15.330 24.169 13.532 1.00 22.44 H new ATOM 0 HE2 HIS A 133 16.573 23.669 11.376 1.00 32.14 H new ATOM 2260 N HIS A 134 22.065 20.764 14.967 1.00 2.22 N ATOM 2261 CA HIS A 134 23.314 20.388 15.664 1.00 42.12 C ATOM 2262 C HIS A 134 23.187 20.670 17.188 1.00 34.03 C ATOM 2263 O HIS A 134 23.331 21.842 17.602 1.00 53.33 O ATOM 2264 CB HIS A 134 24.520 21.150 15.031 1.00 11.33 C ATOM 2265 CG HIS A 134 25.847 20.892 15.709 1.00 44.45 C ATOM 2266 ND1 HIS A 134 26.252 21.562 16.845 1.00 30.15 N ATOM 2267 CD2 HIS A 134 26.845 20.026 15.420 1.00 35.12 C ATOM 2268 CE1 HIS A 134 27.427 21.117 17.222 1.00 51.30 C ATOM 2269 NE2 HIS A 134 27.808 20.184 16.377 1.00 51.14 N ATOM 2270 OXT HIS A 134 22.930 19.725 17.962 1.00 37.76 O ATOM 0 H HIS A 134 22.167 21.581 14.365 1.00 2.22 H new ATOM 0 HA HIS A 134 23.492 19.319 15.545 1.00 42.12 H new ATOM 0 HB2 HIS A 134 24.601 20.868 13.981 1.00 11.33 H new ATOM 0 HB3 HIS A 134 24.313 22.220 15.059 1.00 11.33 H new ATOM 0 HD2 HIS A 134 26.875 19.338 14.588 1.00 35.12 H new ATOM 0 HE1 HIS A 134 27.986 21.459 18.080 1.00 51.30 H new ATOM 0 HE2 HIS A 134 28.683 19.662 16.428 1.00 51.14 H new TER 2279 HIS A 134