USER MOD reduce.3.24.130724 H: found=0, std=0, add=1458, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1458 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 29 CYS SG : rot 133:sc= 2.21 USER MOD Set 1.2: A 81 TYR OH : rot -10:sc= 1.37 USER MOD Set 2.1: A 66 LYS NZ :NH3+ 161:sc= -2.92! (180deg=-3.42!) USER MOD Set 2.2: A 71 TYR OH : rot 144:sc= 0.0397 USER MOD Set 3.1: A 5 SER OG : rot 103:sc=0.000538 USER MOD Set 3.2: A 75 ASN : amide:sc= -2.2! K(o=-2.2!,f=-0.92) USER MOD Single : A 0 THR OG1 : rot -90:sc= -1.47! USER MOD Single : A 1 MET CE :methyl -129:sc= -1.39 (180deg=-3.7!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -5 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.26) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -159:sc= -0.0793 (180deg=-0.658) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 22 SER OG : rot -44:sc= 0.299 USER MOD Single : A 23 THR OG1 : rot -142:sc= -0.165 USER MOD Single : A 24 MET CE :methyl 174:sc= -0.299 (180deg=-0.402) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -177:sc= -3.48 (180deg=-3.56) USER MOD Single : A 45 ASN : amide:sc= -0.324 X(o=-0.32,f=-0.15) USER MOD Single : A 52 SER OG : rot 180:sc= -0.186 USER MOD Single : A 57 LYS NZ :NH3+ 163:sc= 0.338 (180deg=-0.106) USER MOD Single : A 58 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0784) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 166:sc= -0.0997 (180deg=-0.522) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 79 MET CE :methyl 152:sc= -2.13 (180deg=-4.69!) USER MOD Single : A 83 LYS NZ :NH3+ -143:sc= 0.528 (180deg=-3.38!) USER MOD Single : A 84 LYS NZ :NH3+ 153:sc= -0.226 (180deg=-0.856) USER MOD Single : A 85 GLN : amide:sc= 1.07 K(o=1.1,f=-0.14) USER MOD Single : A 89 LYS NZ :NH3+ 168:sc= 0.19 (180deg=0.0288) USER MOD Single : A 92 MET CE :methyl 169:sc= -3.72! (180deg=-4.08!) USER MOD Single : A 96 THR OG1 : rot 98:sc= 1.27 USER MOD Single : A 98 LYS NZ :NH3+ 178:sc= -6.66! (180deg=-6.75!) USER MOD Single : A 99 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 101 MET CE :methyl -122:sc= -6.1! (180deg=-6.57!) USER MOD Single : A 105 SER OG : rot 136:sc= -0.818 USER MOD Single : A 106 LYS NZ :NH3+ -159:sc= 0.196 (180deg=-0.142) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.00341 USER MOD Single : A 109 THR OG1 : rot 180:sc= -1.71! USER MOD Single : A 111 MET CE :methyl -132:sc= -4.94! (180deg=-6.55!) USER MOD Single : A 113 MET CE :methyl 148:sc= -0.221 (180deg=-1.14) USER MOD Single : A 114 THR OG1 : rot 77:sc= 0.298 USER MOD Single : A 116 CYS SG : rot -143:sc= -1.33 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= -0.0264 K(o=-0.026,f=-6.3!) USER MOD Single : A 124 HIS : no HD1:sc= -0.882 K(o=-0.88,f=-0.24) USER MOD Single : A 127 TYR OH : rot 150:sc=-0.00461 USER MOD Single : A 128 SER OG : rot -110:sc= -0.246 USER MOD Single : A 134 MET CE :methyl -151:sc= 0 (180deg=-1.38) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ -171:sc= 0.713 (180deg=0.119) USER MOD Single : A 172 ASN : amide:sc= -0.837 K(o=-0.84,f=-0.26) USER MOD Single : A 176 HIS : no HD1:sc= -7.05! C(o=-7.1!,f=-9.9!) USER MOD Single : A 179 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 183 GLN : amide:sc= -1.58 K(o=-1.6,f=-9.4!) USER MOD Single : A 188 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-2.6!) USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 196 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 199 TYR OH : rot 180:sc= 0.625 USER MOD Single : A 200 SER OG : rot 180:sc= 0 USER MOD Single : A 202 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.064) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 -30.008 -1.445 -7.361 1.00 10.08 N ATOM 2 CA GLY A -5 -29.034 -2.560 -7.296 1.00 9.65 C ATOM 3 C GLY A -5 -29.483 -3.641 -6.341 1.00 8.52 C ATOM 4 O GLY A -5 -30.644 -4.048 -6.364 1.00 8.35 O ATOM 0 H1 GLY A -5 -29.665 -0.723 -8.026 1.00 10.08 H new ATOM 0 H2 GLY A -5 -30.928 -1.806 -7.685 1.00 10.08 H new ATOM 0 H3 GLY A -5 -30.116 -1.022 -6.417 1.00 10.08 H new ATOM 0 HA2 GLY A -5 -28.902 -2.986 -8.291 1.00 9.65 H new ATOM 0 HA3 GLY A -5 -28.063 -2.177 -6.981 1.00 9.65 H new ATOM 10 N ILE A -4 -28.569 -4.097 -5.499 1.00 7.94 N ATOM 11 CA ILE A -4 -28.879 -5.100 -4.488 1.00 6.97 C ATOM 12 C ILE A -4 -29.737 -4.485 -3.382 1.00 6.09 C ATOM 13 O ILE A -4 -29.667 -3.277 -3.146 1.00 5.96 O ATOM 14 CB ILE A -4 -27.574 -5.688 -3.891 1.00 7.12 C ATOM 15 CG1 ILE A -4 -26.757 -6.374 -4.989 1.00 7.77 C ATOM 16 CG2 ILE A -4 -27.861 -6.664 -2.755 1.00 7.21 C ATOM 17 CD1 ILE A -4 -27.468 -7.542 -5.641 1.00 8.21 C ATOM 0 H ILE A -4 -27.598 -3.786 -5.495 1.00 7.94 H new ATOM 0 HA ILE A -4 -29.439 -5.908 -4.959 1.00 6.97 H new ATOM 0 HB ILE A -4 -26.996 -4.862 -3.475 1.00 7.12 H new ATOM 0 HG12 ILE A -4 -26.506 -5.640 -5.755 1.00 7.77 H new ATOM 0 HG13 ILE A -4 -25.817 -6.725 -4.564 1.00 7.77 H new ATOM 0 HG21 ILE A -4 -26.921 -7.054 -2.364 1.00 7.21 H new ATOM 0 HG22 ILE A -4 -28.399 -6.148 -1.960 1.00 7.21 H new ATOM 0 HG23 ILE A -4 -28.468 -7.489 -3.128 1.00 7.21 H new ATOM 0 HD11 ILE A -4 -26.827 -7.976 -6.408 1.00 8.21 H new ATOM 0 HD12 ILE A -4 -27.695 -8.296 -4.888 1.00 8.21 H new ATOM 0 HD13 ILE A -4 -28.395 -7.195 -6.097 1.00 8.21 H new ATOM 29 N ASP A -3 -30.558 -5.314 -2.735 1.00 5.76 N ATOM 30 CA ASP A -3 -31.421 -4.871 -1.638 1.00 5.11 C ATOM 31 C ASP A -3 -30.631 -4.077 -0.606 1.00 4.13 C ATOM 32 O ASP A -3 -29.701 -4.595 0.014 1.00 4.11 O ATOM 33 CB ASP A -3 -32.088 -6.068 -0.945 1.00 5.67 C ATOM 34 CG ASP A -3 -33.207 -6.690 -1.756 1.00 6.72 C ATOM 35 OD1 ASP A -3 -32.920 -7.548 -2.619 1.00 7.08 O ATOM 36 OD2 ASP A -3 -34.384 -6.345 -1.520 1.00 7.33 O ATOM 0 H ASP A -3 -30.644 -6.306 -2.955 1.00 5.76 H new ATOM 0 HA ASP A -3 -32.190 -4.231 -2.071 1.00 5.11 H new ATOM 0 HB2 ASP A -3 -31.333 -6.827 -0.741 1.00 5.67 H new ATOM 0 HB3 ASP A -3 -32.484 -5.746 0.018 1.00 5.67 H new ATOM 41 N PRO A -2 -30.981 -2.795 -0.428 1.00 3.75 N ATOM 42 CA PRO A -2 -30.343 -1.933 0.564 1.00 3.21 C ATOM 43 C PRO A -2 -30.576 -2.448 1.976 1.00 2.50 C ATOM 44 O PRO A -2 -31.679 -2.881 2.316 1.00 2.81 O ATOM 45 CB PRO A -2 -31.023 -0.573 0.368 1.00 3.86 C ATOM 46 CG PRO A -2 -31.654 -0.646 -0.981 1.00 4.50 C ATOM 47 CD PRO A -2 -32.023 -2.085 -1.181 1.00 4.43 C ATOM 0 HA PRO A -2 -29.261 -1.889 0.437 1.00 3.21 H new ATOM 0 HB2 PRO A -2 -31.768 -0.389 1.142 1.00 3.86 H new ATOM 0 HB3 PRO A -2 -30.300 0.241 0.422 1.00 3.86 H new ATOM 0 HG2 PRO A -2 -32.534 -0.005 -1.036 1.00 4.50 H new ATOM 0 HG3 PRO A -2 -30.964 -0.308 -1.754 1.00 4.50 H new ATOM 0 HD2 PRO A -2 -33.020 -2.304 -0.798 1.00 4.43 H new ATOM 0 HD3 PRO A -2 -32.019 -2.361 -2.236 1.00 4.43 H new ATOM 55 N PHE A -1 -29.541 -2.397 2.797 1.00 2.13 N ATOM 56 CA PHE A -1 -29.617 -2.913 4.150 1.00 1.78 C ATOM 57 C PHE A -1 -30.185 -1.862 5.078 1.00 1.73 C ATOM 58 O PHE A -1 -29.465 -1.234 5.853 1.00 2.21 O ATOM 59 CB PHE A -1 -28.248 -3.390 4.620 1.00 2.13 C ATOM 60 CG PHE A -1 -27.741 -4.543 3.811 1.00 2.45 C ATOM 61 CD1 PHE A -1 -28.516 -5.672 3.613 1.00 2.89 C ATOM 62 CD2 PHE A -1 -26.479 -4.490 3.249 1.00 2.78 C ATOM 63 CE1 PHE A -1 -28.038 -6.732 2.864 1.00 3.47 C ATOM 64 CE2 PHE A -1 -25.993 -5.543 2.500 1.00 3.51 C ATOM 65 CZ PHE A -1 -26.827 -6.696 2.315 1.00 3.78 C ATOM 0 H PHE A -1 -28.635 -2.001 2.547 1.00 2.13 H new ATOM 0 HA PHE A -1 -30.287 -3.772 4.163 1.00 1.78 H new ATOM 0 HB2 PHE A -1 -27.538 -2.566 4.559 1.00 2.13 H new ATOM 0 HB3 PHE A -1 -28.308 -3.683 5.668 1.00 2.13 H new ATOM 0 HD1 PHE A -1 -29.503 -5.726 4.047 1.00 2.89 H new ATOM 0 HD2 PHE A -1 -25.866 -3.614 3.398 1.00 2.78 H new ATOM 0 HE1 PHE A -1 -28.659 -7.604 2.722 1.00 3.47 H new ATOM 0 HE2 PHE A -1 -25.006 -5.500 2.063 1.00 3.51 H new ATOM 0 HZ PHE A -1 -26.472 -7.533 1.731 1.00 3.78 H new ATOM 75 N THR A 0 -31.484 -1.656 4.918 1.00 1.54 N ATOM 76 CA THR A 0 -32.257 -0.705 5.701 1.00 1.59 C ATOM 77 C THR A 0 -31.536 0.635 5.822 1.00 1.40 C ATOM 78 O THR A 0 -31.238 1.281 4.814 1.00 1.49 O ATOM 79 CB THR A 0 -32.642 -1.261 7.096 1.00 1.75 C ATOM 80 OG1 THR A 0 -31.476 -1.594 7.863 1.00 1.70 O ATOM 81 CG2 THR A 0 -33.524 -2.492 6.956 1.00 2.11 C ATOM 0 H THR A 0 -32.041 -2.156 4.225 1.00 1.54 H new ATOM 0 HA THR A 0 -33.188 -0.539 5.158 1.00 1.59 H new ATOM 0 HB THR A 0 -33.193 -0.479 7.619 1.00 1.75 H new ATOM 0 HG1 THR A 0 -31.228 -2.527 7.693 1.00 1.70 H new ATOM 0 HG21 THR A 0 -33.784 -2.868 7.946 1.00 2.11 H new ATOM 0 HG22 THR A 0 -34.434 -2.228 6.418 1.00 2.11 H new ATOM 0 HG23 THR A 0 -32.987 -3.264 6.404 1.00 2.11 H new ATOM 89 N MET A 1 -31.246 1.043 7.040 1.00 1.38 N ATOM 90 CA MET A 1 -30.480 2.254 7.269 1.00 1.36 C ATOM 91 C MET A 1 -29.213 1.914 8.031 1.00 1.21 C ATOM 92 O MET A 1 -28.688 2.699 8.822 1.00 1.42 O ATOM 93 CB MET A 1 -31.323 3.289 8.015 1.00 1.66 C ATOM 94 CG MET A 1 -30.749 4.704 8.013 1.00 1.86 C ATOM 95 SD MET A 1 -30.698 5.459 6.368 1.00 2.09 S ATOM 96 CE MET A 1 -29.126 4.863 5.742 1.00 1.64 C ATOM 0 H MET A 1 -31.529 0.554 7.889 1.00 1.38 H new ATOM 0 HA MET A 1 -30.199 2.693 6.312 1.00 1.36 H new ATOM 0 HB2 MET A 1 -32.318 3.315 7.571 1.00 1.66 H new ATOM 0 HB3 MET A 1 -31.444 2.962 9.048 1.00 1.66 H new ATOM 0 HG2 MET A 1 -31.347 5.331 8.674 1.00 1.86 H new ATOM 0 HG3 MET A 1 -29.740 4.679 8.424 1.00 1.86 H new ATOM 0 HE1 MET A 1 -28.541 5.703 5.368 1.00 1.64 H new ATOM 0 HE2 MET A 1 -28.578 4.369 6.545 1.00 1.64 H new ATOM 0 HE3 MET A 1 -29.302 4.154 4.933 1.00 1.64 H new ATOM 106 N VAL A 2 -28.718 0.730 7.745 1.00 1.00 N ATOM 107 CA VAL A 2 -27.475 0.240 8.310 1.00 0.98 C ATOM 108 C VAL A 2 -26.602 -0.286 7.185 1.00 0.79 C ATOM 109 O VAL A 2 -26.060 -1.391 7.232 1.00 0.92 O ATOM 110 CB VAL A 2 -27.696 -0.859 9.377 1.00 1.21 C ATOM 111 CG1 VAL A 2 -28.452 -0.309 10.577 1.00 1.56 C ATOM 112 CG2 VAL A 2 -28.428 -2.051 8.785 1.00 1.32 C ATOM 0 H VAL A 2 -29.169 0.073 7.109 1.00 1.00 H new ATOM 0 HA VAL A 2 -26.985 1.070 8.819 1.00 0.98 H new ATOM 0 HB VAL A 2 -26.716 -1.195 9.717 1.00 1.21 H new ATOM 0 HG11 VAL A 2 -28.594 -1.101 11.312 1.00 1.56 H new ATOM 0 HG12 VAL A 2 -27.881 0.504 11.026 1.00 1.56 H new ATOM 0 HG13 VAL A 2 -29.424 0.065 10.255 1.00 1.56 H new ATOM 0 HG21 VAL A 2 -28.571 -2.809 9.555 1.00 1.32 H new ATOM 0 HG22 VAL A 2 -29.399 -1.731 8.407 1.00 1.32 H new ATOM 0 HG23 VAL A 2 -27.840 -2.470 7.968 1.00 1.32 H new ATOM 122 N ALA A 3 -26.500 0.527 6.159 1.00 0.66 N ATOM 123 CA ALA A 3 -25.656 0.245 5.023 1.00 0.55 C ATOM 124 C ALA A 3 -24.918 1.506 4.658 1.00 0.60 C ATOM 125 O ALA A 3 -25.455 2.604 4.791 1.00 1.10 O ATOM 126 CB ALA A 3 -26.472 -0.254 3.839 1.00 0.63 C ATOM 0 H ALA A 3 -27.005 1.410 6.090 1.00 0.66 H new ATOM 0 HA ALA A 3 -24.950 -0.544 5.284 1.00 0.55 H new ATOM 0 HB1 ALA A 3 -25.808 -0.458 2.999 1.00 0.63 H new ATOM 0 HB2 ALA A 3 -26.996 -1.169 4.118 1.00 0.63 H new ATOM 0 HB3 ALA A 3 -27.198 0.506 3.551 1.00 0.63 H new ATOM 132 N LEU A 4 -23.699 1.351 4.209 1.00 0.45 N ATOM 133 CA LEU A 4 -22.862 2.485 3.906 1.00 0.41 C ATOM 134 C LEU A 4 -22.702 2.623 2.406 1.00 0.39 C ATOM 135 O LEU A 4 -22.292 1.685 1.727 1.00 0.38 O ATOM 136 CB LEU A 4 -21.498 2.347 4.588 1.00 0.41 C ATOM 137 CG LEU A 4 -21.442 2.792 6.057 1.00 0.56 C ATOM 138 CD1 LEU A 4 -22.441 2.037 6.914 1.00 1.16 C ATOM 139 CD2 LEU A 4 -20.045 2.601 6.602 1.00 1.46 C ATOM 0 H LEU A 4 -23.261 0.445 4.044 1.00 0.45 H new ATOM 0 HA LEU A 4 -23.339 3.387 4.290 1.00 0.41 H new ATOM 0 HB2 LEU A 4 -21.187 1.304 4.531 1.00 0.41 H new ATOM 0 HB3 LEU A 4 -20.769 2.928 4.023 1.00 0.41 H new ATOM 0 HG LEU A 4 -21.707 3.849 6.093 1.00 0.56 H new ATOM 0 HD11 LEU A 4 -22.369 2.382 7.946 1.00 1.16 H new ATOM 0 HD12 LEU A 4 -23.449 2.216 6.541 1.00 1.16 H new ATOM 0 HD13 LEU A 4 -22.223 0.970 6.872 1.00 1.16 H new ATOM 0 HD21 LEU A 4 -20.014 2.919 7.644 1.00 1.46 H new ATOM 0 HD22 LEU A 4 -19.769 1.549 6.536 1.00 1.46 H new ATOM 0 HD23 LEU A 4 -19.343 3.198 6.020 1.00 1.46 H new ATOM 151 N SER A 5 -23.022 3.799 1.903 1.00 0.41 N ATOM 152 CA SER A 5 -22.942 4.060 0.480 1.00 0.42 C ATOM 153 C SER A 5 -21.583 4.659 0.173 1.00 0.37 C ATOM 154 O SER A 5 -21.345 5.845 0.409 1.00 0.42 O ATOM 155 CB SER A 5 -24.068 4.996 0.039 1.00 0.51 C ATOM 156 OG SER A 5 -25.335 4.453 0.374 1.00 1.28 O ATOM 0 H SER A 5 -23.341 4.591 2.461 1.00 0.41 H new ATOM 0 HA SER A 5 -23.060 3.128 -0.073 1.00 0.42 H new ATOM 0 HB2 SER A 5 -23.946 5.968 0.516 1.00 0.51 H new ATOM 0 HB3 SER A 5 -24.010 5.160 -1.037 1.00 0.51 H new ATOM 0 HG SER A 5 -25.686 4.908 1.168 1.00 1.28 H new ATOM 162 N LEU A 6 -20.683 3.821 -0.314 1.00 0.31 N ATOM 163 CA LEU A 6 -19.302 4.214 -0.497 1.00 0.28 C ATOM 164 C LEU A 6 -18.965 4.307 -1.976 1.00 0.28 C ATOM 165 O LEU A 6 -19.293 3.412 -2.759 1.00 0.31 O ATOM 166 CB LEU A 6 -18.373 3.207 0.192 1.00 0.26 C ATOM 167 CG LEU A 6 -18.717 2.899 1.654 1.00 0.33 C ATOM 168 CD1 LEU A 6 -17.709 1.934 2.254 1.00 0.61 C ATOM 169 CD2 LEU A 6 -18.784 4.179 2.471 1.00 0.62 C ATOM 0 H LEU A 6 -20.889 2.861 -0.590 1.00 0.31 H new ATOM 0 HA LEU A 6 -19.159 5.196 -0.047 1.00 0.28 H new ATOM 0 HB2 LEU A 6 -18.390 2.275 -0.373 1.00 0.26 H new ATOM 0 HB3 LEU A 6 -17.353 3.588 0.148 1.00 0.26 H new ATOM 0 HG LEU A 6 -19.698 2.425 1.678 1.00 0.33 H new ATOM 0 HD11 LEU A 6 -17.973 1.730 3.292 1.00 0.61 H new ATOM 0 HD12 LEU A 6 -17.716 1.002 1.688 1.00 0.61 H new ATOM 0 HD13 LEU A 6 -16.713 2.376 2.213 1.00 0.61 H new ATOM 0 HD21 LEU A 6 -19.029 3.938 3.505 1.00 0.62 H new ATOM 0 HD22 LEU A 6 -17.819 4.684 2.435 1.00 0.62 H new ATOM 0 HD23 LEU A 6 -19.552 4.834 2.059 1.00 0.62 H new ATOM 181 N LYS A 7 -18.332 5.403 -2.356 1.00 0.29 N ATOM 182 CA LYS A 7 -17.882 5.577 -3.724 1.00 0.31 C ATOM 183 C LYS A 7 -16.562 4.867 -3.922 1.00 0.29 C ATOM 184 O LYS A 7 -15.532 5.292 -3.407 1.00 0.31 O ATOM 185 CB LYS A 7 -17.733 7.051 -4.072 1.00 0.39 C ATOM 186 CG LYS A 7 -18.739 7.525 -5.098 1.00 0.52 C ATOM 187 CD LYS A 7 -18.663 9.024 -5.299 1.00 0.63 C ATOM 188 CE LYS A 7 -17.245 9.500 -5.568 1.00 0.94 C ATOM 189 NZ LYS A 7 -17.186 10.976 -5.741 1.00 1.72 N ATOM 0 H LYS A 7 -18.119 6.185 -1.736 1.00 0.29 H new ATOM 0 HA LYS A 7 -18.633 5.146 -4.387 1.00 0.31 H new ATOM 0 HB2 LYS A 7 -17.842 7.645 -3.164 1.00 0.39 H new ATOM 0 HB3 LYS A 7 -16.726 7.229 -4.450 1.00 0.39 H new ATOM 0 HG2 LYS A 7 -18.558 7.020 -6.047 1.00 0.52 H new ATOM 0 HG3 LYS A 7 -19.744 7.250 -4.778 1.00 0.52 H new ATOM 0 HD2 LYS A 7 -19.304 9.309 -6.133 1.00 0.63 H new ATOM 0 HD3 LYS A 7 -19.051 9.527 -4.413 1.00 0.63 H new ATOM 0 HE2 LYS A 7 -16.598 9.204 -4.742 1.00 0.94 H new ATOM 0 HE3 LYS A 7 -16.861 9.013 -6.464 1.00 0.94 H new ATOM 0 HZ1 LYS A 7 -16.204 11.265 -5.923 1.00 1.72 H new ATOM 0 HZ2 LYS A 7 -17.784 11.255 -6.545 1.00 1.72 H new ATOM 0 HZ3 LYS A 7 -17.529 11.441 -4.876 1.00 1.72 H new ATOM 203 N ILE A 8 -16.598 3.790 -4.669 1.00 0.28 N ATOM 204 CA ILE A 8 -15.425 2.965 -4.865 1.00 0.28 C ATOM 205 C ILE A 8 -14.616 3.473 -6.043 1.00 0.31 C ATOM 206 O ILE A 8 -14.941 3.203 -7.198 1.00 0.34 O ATOM 207 CB ILE A 8 -15.802 1.488 -5.102 1.00 0.33 C ATOM 208 CG1 ILE A 8 -16.658 0.959 -3.946 1.00 0.58 C ATOM 209 CG2 ILE A 8 -14.548 0.645 -5.270 1.00 0.32 C ATOM 210 CD1 ILE A 8 -15.982 1.042 -2.592 1.00 0.51 C ATOM 0 H ILE A 8 -17.432 3.461 -5.155 1.00 0.28 H new ATOM 0 HA ILE A 8 -14.828 3.025 -3.955 1.00 0.28 H new ATOM 0 HB ILE A 8 -16.389 1.422 -6.018 1.00 0.33 H new ATOM 0 HG12 ILE A 8 -17.591 1.522 -3.910 1.00 0.58 H new ATOM 0 HG13 ILE A 8 -16.920 -0.080 -4.147 1.00 0.58 H new ATOM 0 HG21 ILE A 8 -14.828 -0.395 -5.437 1.00 0.32 H new ATOM 0 HG22 ILE A 8 -13.977 1.008 -6.125 1.00 0.32 H new ATOM 0 HG23 ILE A 8 -13.938 0.717 -4.369 1.00 0.32 H new ATOM 0 HD11 ILE A 8 -16.651 0.649 -1.827 1.00 0.51 H new ATOM 0 HD12 ILE A 8 -15.064 0.455 -2.607 1.00 0.51 H new ATOM 0 HD13 ILE A 8 -15.744 2.082 -2.367 1.00 0.51 H new ATOM 222 N SER A 9 -13.578 4.225 -5.747 1.00 0.33 N ATOM 223 CA SER A 9 -12.705 4.737 -6.780 1.00 0.39 C ATOM 224 C SER A 9 -11.631 3.705 -7.080 1.00 0.37 C ATOM 225 O SER A 9 -10.833 3.365 -6.219 1.00 0.45 O ATOM 226 CB SER A 9 -12.077 6.067 -6.341 1.00 0.46 C ATOM 227 OG SER A 9 -11.182 6.571 -7.322 1.00 1.48 O ATOM 0 H SER A 9 -13.318 4.495 -4.798 1.00 0.33 H new ATOM 0 HA SER A 9 -13.283 4.925 -7.685 1.00 0.39 H new ATOM 0 HB2 SER A 9 -12.864 6.798 -6.156 1.00 0.46 H new ATOM 0 HB3 SER A 9 -11.545 5.926 -5.400 1.00 0.46 H new ATOM 0 HG SER A 9 -10.801 7.419 -7.012 1.00 1.48 H new ATOM 233 N ILE A 10 -11.642 3.170 -8.285 1.00 0.40 N ATOM 234 CA ILE A 10 -10.651 2.190 -8.680 1.00 0.42 C ATOM 235 C ILE A 10 -9.760 2.780 -9.763 1.00 0.50 C ATOM 236 O ILE A 10 -9.878 2.438 -10.941 1.00 0.53 O ATOM 237 CB ILE A 10 -11.302 0.882 -9.184 1.00 0.40 C ATOM 238 CG1 ILE A 10 -12.386 0.419 -8.205 1.00 0.38 C ATOM 239 CG2 ILE A 10 -10.245 -0.203 -9.355 1.00 0.45 C ATOM 240 CD1 ILE A 10 -13.167 -0.785 -8.683 1.00 0.43 C ATOM 0 H ILE A 10 -12.326 3.398 -9.007 1.00 0.40 H new ATOM 0 HA ILE A 10 -10.055 1.940 -7.802 1.00 0.42 H new ATOM 0 HB ILE A 10 -11.764 1.072 -10.153 1.00 0.40 H new ATOM 0 HG12 ILE A 10 -11.921 0.182 -7.248 1.00 0.38 H new ATOM 0 HG13 ILE A 10 -13.078 1.242 -8.028 1.00 0.38 H new ATOM 0 HG21 ILE A 10 -10.718 -1.119 -9.710 1.00 0.45 H new ATOM 0 HG22 ILE A 10 -9.500 0.126 -10.080 1.00 0.45 H new ATOM 0 HG23 ILE A 10 -9.760 -0.393 -8.397 1.00 0.45 H new ATOM 0 HD11 ILE A 10 -13.915 -1.053 -7.937 1.00 0.43 H new ATOM 0 HD12 ILE A 10 -13.662 -0.547 -9.624 1.00 0.43 H new ATOM 0 HD13 ILE A 10 -12.487 -1.624 -8.832 1.00 0.43 H new ATOM 252 N GLY A 11 -8.914 3.717 -9.354 1.00 0.59 N ATOM 253 CA GLY A 11 -7.982 4.348 -10.266 1.00 0.68 C ATOM 254 C GLY A 11 -8.655 5.230 -11.301 1.00 0.75 C ATOM 255 O GLY A 11 -8.754 6.444 -11.129 1.00 0.96 O ATOM 0 H GLY A 11 -8.858 4.054 -8.393 1.00 0.59 H new ATOM 0 HA2 GLY A 11 -7.274 4.948 -9.693 1.00 0.68 H new ATOM 0 HA3 GLY A 11 -7.406 3.576 -10.777 1.00 0.68 H new ATOM 259 N ASN A 12 -9.130 4.607 -12.365 1.00 0.75 N ATOM 260 CA ASN A 12 -9.693 5.323 -13.505 1.00 0.90 C ATOM 261 C ASN A 12 -11.209 5.352 -13.444 1.00 0.84 C ATOM 262 O ASN A 12 -11.859 6.066 -14.208 1.00 1.09 O ATOM 263 CB ASN A 12 -9.262 4.645 -14.806 1.00 1.09 C ATOM 264 CG ASN A 12 -9.765 3.216 -14.917 1.00 1.77 C ATOM 265 OD1 ASN A 12 -10.839 2.960 -15.461 1.00 2.62 O ATOM 266 ND2 ASN A 12 -8.996 2.271 -14.392 1.00 2.17 N ATOM 0 H ASN A 12 -9.138 3.592 -12.467 1.00 0.75 H new ATOM 0 HA ASN A 12 -9.322 6.347 -13.472 1.00 0.90 H new ATOM 0 HB2 ASN A 12 -9.633 5.223 -15.652 1.00 1.09 H new ATOM 0 HB3 ASN A 12 -8.174 4.649 -14.870 1.00 1.09 H new ATOM 0 HD21 ASN A 12 -9.289 1.295 -14.432 1.00 2.17 H new ATOM 0 HD22 ASN A 12 -8.112 2.521 -13.949 1.00 2.17 H new ATOM 273 N VAL A 13 -11.773 4.577 -12.540 1.00 0.65 N ATOM 274 CA VAL A 13 -13.208 4.386 -12.507 1.00 0.61 C ATOM 275 C VAL A 13 -13.740 4.558 -11.086 1.00 0.53 C ATOM 276 O VAL A 13 -12.971 4.534 -10.129 1.00 0.50 O ATOM 277 CB VAL A 13 -13.561 2.984 -13.057 1.00 0.61 C ATOM 278 CG1 VAL A 13 -13.322 1.895 -12.020 1.00 0.55 C ATOM 279 CG2 VAL A 13 -14.981 2.946 -13.580 1.00 0.65 C ATOM 0 H VAL A 13 -11.260 4.070 -11.819 1.00 0.65 H new ATOM 0 HA VAL A 13 -13.680 5.140 -13.136 1.00 0.61 H new ATOM 0 HB VAL A 13 -12.892 2.783 -13.894 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -13.582 0.925 -12.444 1.00 0.55 H new ATOM 0 HG12 VAL A 13 -12.272 1.894 -11.729 1.00 0.55 H new ATOM 0 HG13 VAL A 13 -13.941 2.085 -11.143 1.00 0.55 H new ATOM 0 HG21 VAL A 13 -15.202 1.949 -13.960 1.00 0.65 H new ATOM 0 HG22 VAL A 13 -15.673 3.188 -12.773 1.00 0.65 H new ATOM 0 HG23 VAL A 13 -15.092 3.674 -14.384 1.00 0.65 H new ATOM 289 N VAL A 14 -15.041 4.756 -10.952 1.00 0.51 N ATOM 290 CA VAL A 14 -15.668 4.832 -9.641 1.00 0.46 C ATOM 291 C VAL A 14 -17.024 4.132 -9.668 1.00 0.41 C ATOM 292 O VAL A 14 -17.864 4.398 -10.529 1.00 0.45 O ATOM 293 CB VAL A 14 -15.810 6.292 -9.128 1.00 0.53 C ATOM 294 CG1 VAL A 14 -16.571 7.156 -10.117 1.00 0.62 C ATOM 295 CG2 VAL A 14 -16.484 6.329 -7.756 1.00 0.50 C ATOM 0 H VAL A 14 -15.685 4.867 -11.735 1.00 0.51 H new ATOM 0 HA VAL A 14 -15.012 4.320 -8.938 1.00 0.46 H new ATOM 0 HB VAL A 14 -14.805 6.701 -9.028 1.00 0.53 H new ATOM 0 HG11 VAL A 14 -16.652 8.171 -9.727 1.00 0.62 H new ATOM 0 HG12 VAL A 14 -16.039 7.175 -11.068 1.00 0.62 H new ATOM 0 HG13 VAL A 14 -17.569 6.744 -10.267 1.00 0.62 H new ATOM 0 HG21 VAL A 14 -16.571 7.363 -7.421 1.00 0.50 H new ATOM 0 HG22 VAL A 14 -17.477 5.886 -7.827 1.00 0.50 H new ATOM 0 HG23 VAL A 14 -15.885 5.765 -7.041 1.00 0.50 H new ATOM 305 N LYS A 15 -17.207 3.210 -8.744 1.00 0.39 N ATOM 306 CA LYS A 15 -18.430 2.429 -8.658 1.00 0.41 C ATOM 307 C LYS A 15 -19.124 2.718 -7.338 1.00 0.35 C ATOM 308 O LYS A 15 -18.468 2.965 -6.331 1.00 0.31 O ATOM 309 CB LYS A 15 -18.121 0.932 -8.766 1.00 0.50 C ATOM 310 CG LYS A 15 -17.391 0.540 -10.042 1.00 0.67 C ATOM 311 CD LYS A 15 -18.208 0.863 -11.282 1.00 0.80 C ATOM 312 CE LYS A 15 -17.475 0.464 -12.552 1.00 1.02 C ATOM 313 NZ LYS A 15 -18.237 0.820 -13.777 1.00 1.28 N ATOM 0 H LYS A 15 -16.515 2.979 -8.031 1.00 0.39 H new ATOM 0 HA LYS A 15 -19.085 2.708 -9.484 1.00 0.41 H new ATOM 0 HB2 LYS A 15 -17.518 0.633 -7.909 1.00 0.50 H new ATOM 0 HB3 LYS A 15 -19.055 0.374 -8.708 1.00 0.50 H new ATOM 0 HG2 LYS A 15 -16.436 1.063 -10.090 1.00 0.67 H new ATOM 0 HG3 LYS A 15 -17.169 -0.527 -10.021 1.00 0.67 H new ATOM 0 HD2 LYS A 15 -19.165 0.343 -11.234 1.00 0.80 H new ATOM 0 HD3 LYS A 15 -18.427 1.931 -11.307 1.00 0.80 H new ATOM 0 HE2 LYS A 15 -16.502 0.954 -12.577 1.00 1.02 H new ATOM 0 HE3 LYS A 15 -17.291 -0.610 -12.541 1.00 1.02 H new ATOM 0 HZ1 LYS A 15 -17.698 0.529 -14.618 1.00 1.28 H new ATOM 0 HZ2 LYS A 15 -19.156 0.332 -13.768 1.00 1.28 H new ATOM 0 HZ3 LYS A 15 -18.391 1.848 -13.803 1.00 1.28 H new ATOM 327 N THR A 16 -20.439 2.695 -7.334 1.00 0.38 N ATOM 328 CA THR A 16 -21.179 2.965 -6.119 1.00 0.37 C ATOM 329 C THR A 16 -21.612 1.655 -5.480 1.00 0.35 C ATOM 330 O THR A 16 -22.426 0.915 -6.038 1.00 0.39 O ATOM 331 CB THR A 16 -22.409 3.849 -6.391 1.00 0.45 C ATOM 332 OG1 THR A 16 -22.013 5.013 -7.129 1.00 0.50 O ATOM 333 CG2 THR A 16 -23.067 4.276 -5.086 1.00 0.45 C ATOM 0 H THR A 16 -21.015 2.494 -8.151 1.00 0.38 H new ATOM 0 HA THR A 16 -20.523 3.507 -5.437 1.00 0.37 H new ATOM 0 HB THR A 16 -23.128 3.270 -6.971 1.00 0.45 H new ATOM 0 HG1 THR A 16 -22.798 5.573 -7.302 1.00 0.50 H new ATOM 0 HG21 THR A 16 -23.934 4.900 -5.303 1.00 0.45 H new ATOM 0 HG22 THR A 16 -23.385 3.392 -4.533 1.00 0.45 H new ATOM 0 HG23 THR A 16 -22.354 4.842 -4.487 1.00 0.45 H new ATOM 341 N MET A 17 -21.053 1.363 -4.316 1.00 0.31 N ATOM 342 CA MET A 17 -21.304 0.101 -3.640 1.00 0.32 C ATOM 343 C MET A 17 -21.664 0.356 -2.192 1.00 0.32 C ATOM 344 O MET A 17 -21.219 1.337 -1.596 1.00 0.31 O ATOM 345 CB MET A 17 -20.078 -0.816 -3.724 1.00 0.34 C ATOM 346 CG MET A 17 -20.207 -1.929 -4.751 1.00 0.44 C ATOM 347 SD MET A 17 -21.259 -3.286 -4.187 1.00 1.04 S ATOM 348 CE MET A 17 -20.251 -3.997 -2.882 1.00 0.40 C ATOM 0 H MET A 17 -20.419 1.987 -3.818 1.00 0.31 H new ATOM 0 HA MET A 17 -22.137 -0.397 -4.136 1.00 0.32 H new ATOM 0 HB2 MET A 17 -19.202 -0.213 -3.965 1.00 0.34 H new ATOM 0 HB3 MET A 17 -19.901 -1.259 -2.744 1.00 0.34 H new ATOM 0 HG2 MET A 17 -20.615 -1.519 -5.675 1.00 0.44 H new ATOM 0 HG3 MET A 17 -19.216 -2.317 -4.985 1.00 0.44 H new ATOM 0 HE1 MET A 17 -20.566 -5.024 -2.697 1.00 0.40 H new ATOM 0 HE2 MET A 17 -19.204 -3.988 -3.185 1.00 0.40 H new ATOM 0 HE3 MET A 17 -20.370 -3.412 -1.970 1.00 0.40 H new ATOM 358 N GLN A 18 -22.477 -0.514 -1.635 1.00 0.36 N ATOM 359 CA GLN A 18 -22.865 -0.394 -0.249 1.00 0.37 C ATOM 360 C GLN A 18 -22.361 -1.579 0.540 1.00 0.35 C ATOM 361 O GLN A 18 -22.409 -2.717 0.071 1.00 0.38 O ATOM 362 CB GLN A 18 -24.377 -0.256 -0.125 1.00 0.44 C ATOM 363 CG GLN A 18 -24.860 1.115 -0.548 1.00 0.49 C ATOM 364 CD GLN A 18 -26.289 1.112 -1.041 1.00 0.59 C ATOM 365 OE1 GLN A 18 -27.121 0.327 -0.585 1.00 0.92 O ATOM 366 NE2 GLN A 18 -26.576 1.983 -1.993 1.00 0.60 N ATOM 0 H GLN A 18 -22.882 -1.313 -2.122 1.00 0.36 H new ATOM 0 HA GLN A 18 -22.412 0.508 0.164 1.00 0.37 H new ATOM 0 HB2 GLN A 18 -24.861 -1.016 -0.738 1.00 0.44 H new ATOM 0 HB3 GLN A 18 -24.674 -0.442 0.907 1.00 0.44 H new ATOM 0 HG2 GLN A 18 -24.774 1.801 0.295 1.00 0.49 H new ATOM 0 HG3 GLN A 18 -24.210 1.496 -1.336 1.00 0.49 H new ATOM 0 HE21 GLN A 18 -25.855 2.615 -2.341 1.00 0.60 H new ATOM 0 HE22 GLN A 18 -27.519 2.023 -2.380 1.00 0.60 H new ATOM 375 N PHE A 19 -21.864 -1.302 1.725 1.00 0.34 N ATOM 376 CA PHE A 19 -21.328 -2.325 2.595 1.00 0.33 C ATOM 377 C PHE A 19 -21.988 -2.176 3.948 1.00 0.37 C ATOM 378 O PHE A 19 -22.514 -1.108 4.266 1.00 0.40 O ATOM 379 CB PHE A 19 -19.808 -2.177 2.744 1.00 0.29 C ATOM 380 CG PHE A 19 -19.053 -2.222 1.444 1.00 0.27 C ATOM 381 CD1 PHE A 19 -18.624 -3.427 0.919 1.00 0.33 C ATOM 382 CD2 PHE A 19 -18.769 -1.055 0.754 1.00 0.30 C ATOM 383 CE1 PHE A 19 -17.925 -3.470 -0.273 1.00 0.36 C ATOM 384 CE2 PHE A 19 -18.071 -1.090 -0.438 1.00 0.31 C ATOM 385 CZ PHE A 19 -17.650 -2.299 -0.952 1.00 0.31 C ATOM 0 H PHE A 19 -21.820 -0.360 2.113 1.00 0.34 H new ATOM 0 HA PHE A 19 -21.528 -3.309 2.170 1.00 0.33 H new ATOM 0 HB2 PHE A 19 -19.594 -1.232 3.243 1.00 0.29 H new ATOM 0 HB3 PHE A 19 -19.439 -2.971 3.393 1.00 0.29 H new ATOM 0 HD1 PHE A 19 -18.837 -4.345 1.446 1.00 0.33 H new ATOM 0 HD2 PHE A 19 -19.097 -0.106 1.152 1.00 0.30 H new ATOM 0 HE1 PHE A 19 -17.595 -4.417 -0.673 1.00 0.36 H new ATOM 0 HE2 PHE A 19 -17.856 -0.173 -0.966 1.00 0.31 H new ATOM 0 HZ PHE A 19 -17.106 -2.330 -1.884 1.00 0.31 H new ATOM 395 N GLU A 20 -21.982 -3.224 4.736 1.00 0.39 N ATOM 396 CA GLU A 20 -22.542 -3.147 6.066 1.00 0.43 C ATOM 397 C GLU A 20 -21.506 -2.570 7.020 1.00 0.44 C ATOM 398 O GLU A 20 -20.307 -2.811 6.867 1.00 0.47 O ATOM 399 CB GLU A 20 -23.012 -4.522 6.537 1.00 0.50 C ATOM 400 CG GLU A 20 -24.081 -5.128 5.644 1.00 0.61 C ATOM 401 CD GLU A 20 -24.636 -6.421 6.194 1.00 0.90 C ATOM 402 OE1 GLU A 20 -25.607 -6.375 6.975 1.00 1.42 O ATOM 403 OE2 GLU A 20 -24.106 -7.494 5.842 1.00 1.06 O ATOM 0 H GLU A 20 -21.599 -4.135 4.483 1.00 0.39 H new ATOM 0 HA GLU A 20 -23.412 -2.490 6.049 1.00 0.43 H new ATOM 0 HB2 GLU A 20 -22.157 -5.197 6.578 1.00 0.50 H new ATOM 0 HB3 GLU A 20 -23.401 -4.438 7.552 1.00 0.50 H new ATOM 0 HG2 GLU A 20 -24.894 -4.412 5.520 1.00 0.61 H new ATOM 0 HG3 GLU A 20 -23.662 -5.309 4.654 1.00 0.61 H new ATOM 410 N PRO A 21 -21.954 -1.763 7.987 1.00 0.50 N ATOM 411 CA PRO A 21 -21.091 -1.163 9.000 1.00 0.53 C ATOM 412 C PRO A 21 -20.143 -2.181 9.644 1.00 0.53 C ATOM 413 O PRO A 21 -19.008 -1.849 9.992 1.00 0.65 O ATOM 414 CB PRO A 21 -22.073 -0.592 10.040 1.00 0.57 C ATOM 415 CG PRO A 21 -23.448 -0.967 9.583 1.00 0.61 C ATOM 416 CD PRO A 21 -23.342 -1.336 8.136 1.00 0.62 C ATOM 0 HA PRO A 21 -20.435 -0.406 8.569 1.00 0.53 H new ATOM 0 HB2 PRO A 21 -21.869 -1.000 11.030 1.00 0.57 H new ATOM 0 HB3 PRO A 21 -21.972 0.491 10.115 1.00 0.57 H new ATOM 0 HG2 PRO A 21 -23.834 -1.803 10.167 1.00 0.61 H new ATOM 0 HG3 PRO A 21 -24.140 -0.136 9.720 1.00 0.61 H new ATOM 0 HD2 PRO A 21 -24.037 -2.134 7.875 1.00 0.62 H new ATOM 0 HD3 PRO A 21 -23.572 -0.489 7.489 1.00 0.62 H new ATOM 424 N SER A 22 -20.595 -3.426 9.770 1.00 0.50 N ATOM 425 CA SER A 22 -19.786 -4.467 10.386 1.00 0.61 C ATOM 426 C SER A 22 -19.256 -5.459 9.342 1.00 0.84 C ATOM 427 O SER A 22 -18.765 -6.533 9.696 1.00 1.64 O ATOM 428 CB SER A 22 -20.613 -5.198 11.448 1.00 0.68 C ATOM 429 OG SER A 22 -19.792 -5.986 12.301 1.00 1.32 O ATOM 0 H SER A 22 -21.514 -3.735 9.454 1.00 0.50 H new ATOM 0 HA SER A 22 -18.923 -3.997 10.858 1.00 0.61 H new ATOM 0 HB2 SER A 22 -21.165 -4.471 12.044 1.00 0.68 H new ATOM 0 HB3 SER A 22 -21.350 -5.836 10.960 1.00 0.68 H new ATOM 0 HG SER A 22 -19.134 -6.474 11.763 1.00 1.32 H new ATOM 435 N THR A 23 -19.340 -5.090 8.062 1.00 0.41 N ATOM 436 CA THR A 23 -18.813 -5.925 6.982 1.00 0.49 C ATOM 437 C THR A 23 -17.334 -6.224 7.199 1.00 0.63 C ATOM 438 O THR A 23 -16.918 -7.381 7.149 1.00 1.47 O ATOM 439 CB THR A 23 -19.006 -5.253 5.604 1.00 0.51 C ATOM 440 OG1 THR A 23 -20.369 -5.375 5.187 1.00 0.68 O ATOM 441 CG2 THR A 23 -18.102 -5.858 4.545 1.00 0.50 C ATOM 0 H THR A 23 -19.768 -4.219 7.749 1.00 0.41 H new ATOM 0 HA THR A 23 -19.373 -6.860 6.995 1.00 0.49 H new ATOM 0 HB THR A 23 -18.740 -4.202 5.715 1.00 0.51 H new ATOM 0 HG1 THR A 23 -20.402 -5.534 4.221 1.00 0.68 H new ATOM 0 HG21 THR A 23 -18.271 -5.356 3.592 1.00 0.50 H new ATOM 0 HG22 THR A 23 -17.060 -5.733 4.841 1.00 0.50 H new ATOM 0 HG23 THR A 23 -18.325 -6.920 4.440 1.00 0.50 H new ATOM 449 N MET A 24 -16.563 -5.167 7.459 1.00 0.54 N ATOM 450 CA MET A 24 -15.124 -5.269 7.687 1.00 0.48 C ATOM 451 C MET A 24 -14.381 -5.486 6.366 1.00 0.43 C ATOM 452 O MET A 24 -14.867 -6.165 5.463 1.00 0.47 O ATOM 453 CB MET A 24 -14.819 -6.386 8.690 1.00 0.60 C ATOM 454 CG MET A 24 -13.584 -6.165 9.528 1.00 0.57 C ATOM 455 SD MET A 24 -13.470 -7.371 10.857 1.00 0.83 S ATOM 456 CE MET A 24 -12.285 -6.563 11.910 1.00 0.71 C ATOM 0 H MET A 24 -16.922 -4.214 7.517 1.00 0.54 H new ATOM 0 HA MET A 24 -14.771 -4.330 8.114 1.00 0.48 H new ATOM 0 HB2 MET A 24 -15.675 -6.502 9.354 1.00 0.60 H new ATOM 0 HB3 MET A 24 -14.708 -7.324 8.145 1.00 0.60 H new ATOM 0 HG2 MET A 24 -12.698 -6.231 8.897 1.00 0.57 H new ATOM 0 HG3 MET A 24 -13.602 -5.159 9.948 1.00 0.57 H new ATOM 0 HE1 MET A 24 -12.178 -7.127 12.837 1.00 0.71 H new ATOM 0 HE2 MET A 24 -11.322 -6.513 11.402 1.00 0.71 H new ATOM 0 HE3 MET A 24 -12.629 -5.554 12.137 1.00 0.71 H new ATOM 466 N VAL A 25 -13.212 -4.865 6.277 1.00 0.40 N ATOM 467 CA VAL A 25 -12.382 -4.847 5.065 1.00 0.38 C ATOM 468 C VAL A 25 -12.353 -6.179 4.299 1.00 0.39 C ATOM 469 O VAL A 25 -12.666 -6.215 3.108 1.00 0.39 O ATOM 470 CB VAL A 25 -10.948 -4.426 5.425 1.00 0.41 C ATOM 471 CG1 VAL A 25 -10.012 -4.540 4.232 1.00 0.42 C ATOM 472 CG2 VAL A 25 -10.960 -3.006 5.967 1.00 0.40 C ATOM 0 H VAL A 25 -12.801 -4.349 7.055 1.00 0.40 H new ATOM 0 HA VAL A 25 -12.845 -4.123 4.394 1.00 0.38 H new ATOM 0 HB VAL A 25 -10.572 -5.104 6.191 1.00 0.41 H new ATOM 0 HG11 VAL A 25 -9.008 -4.234 4.526 1.00 0.42 H new ATOM 0 HG12 VAL A 25 -9.989 -5.573 3.885 1.00 0.42 H new ATOM 0 HG13 VAL A 25 -10.367 -3.895 3.428 1.00 0.42 H new ATOM 0 HG21 VAL A 25 -9.944 -2.706 6.223 1.00 0.40 H new ATOM 0 HG22 VAL A 25 -11.358 -2.331 5.210 1.00 0.40 H new ATOM 0 HG23 VAL A 25 -11.587 -2.962 6.858 1.00 0.40 H new ATOM 482 N TYR A 26 -11.981 -7.261 4.978 1.00 0.42 N ATOM 483 CA TYR A 26 -11.811 -8.557 4.312 1.00 0.45 C ATOM 484 C TYR A 26 -13.102 -9.030 3.632 1.00 0.43 C ATOM 485 O TYR A 26 -13.055 -9.665 2.578 1.00 0.42 O ATOM 486 CB TYR A 26 -11.295 -9.624 5.289 1.00 0.52 C ATOM 487 CG TYR A 26 -12.271 -10.031 6.372 1.00 0.56 C ATOM 488 CD1 TYR A 26 -12.410 -9.280 7.532 1.00 0.58 C ATOM 489 CD2 TYR A 26 -13.045 -11.176 6.235 1.00 0.70 C ATOM 490 CE1 TYR A 26 -13.294 -9.658 8.524 1.00 0.65 C ATOM 491 CE2 TYR A 26 -13.931 -11.562 7.222 1.00 0.78 C ATOM 492 CZ TYR A 26 -14.051 -10.801 8.364 1.00 0.72 C ATOM 493 OH TYR A 26 -14.936 -11.182 9.347 1.00 0.83 O ATOM 0 H TYR A 26 -11.792 -7.271 5.980 1.00 0.42 H new ATOM 0 HA TYR A 26 -11.062 -8.413 3.533 1.00 0.45 H new ATOM 0 HB2 TYR A 26 -11.018 -10.511 4.720 1.00 0.52 H new ATOM 0 HB3 TYR A 26 -10.386 -9.252 5.762 1.00 0.52 H new ATOM 0 HD1 TYR A 26 -11.818 -8.386 7.661 1.00 0.58 H new ATOM 0 HD2 TYR A 26 -12.953 -11.775 5.341 1.00 0.70 H new ATOM 0 HE1 TYR A 26 -13.392 -9.063 9.420 1.00 0.65 H new ATOM 0 HE2 TYR A 26 -14.526 -12.455 7.099 1.00 0.78 H new ATOM 0 HH TYR A 26 -15.390 -12.007 9.077 1.00 0.83 H new ATOM 503 N ASP A 27 -14.247 -8.705 4.220 1.00 0.43 N ATOM 504 CA ASP A 27 -15.526 -9.110 3.647 1.00 0.44 C ATOM 505 C ASP A 27 -15.876 -8.202 2.474 1.00 0.39 C ATOM 506 O ASP A 27 -16.401 -8.649 1.459 1.00 0.40 O ATOM 507 CB ASP A 27 -16.636 -9.075 4.699 1.00 0.50 C ATOM 508 CG ASP A 27 -17.911 -9.759 4.232 1.00 0.91 C ATOM 509 OD1 ASP A 27 -18.737 -9.093 3.574 1.00 1.48 O ATOM 510 OD2 ASP A 27 -18.093 -10.960 4.508 1.00 1.24 O ATOM 0 H ASP A 27 -14.317 -8.168 5.084 1.00 0.43 H new ATOM 0 HA ASP A 27 -15.436 -10.136 3.291 1.00 0.44 H new ATOM 0 HB2 ASP A 27 -16.283 -9.558 5.610 1.00 0.50 H new ATOM 0 HB3 ASP A 27 -16.857 -8.038 4.953 1.00 0.50 H new ATOM 515 N ALA A 28 -15.568 -6.919 2.619 1.00 0.37 N ATOM 516 CA ALA A 28 -15.791 -5.951 1.553 1.00 0.33 C ATOM 517 C ALA A 28 -15.030 -6.341 0.290 1.00 0.32 C ATOM 518 O ALA A 28 -15.593 -6.362 -0.806 1.00 0.31 O ATOM 519 CB ALA A 28 -15.380 -4.561 2.013 1.00 0.33 C ATOM 0 H ALA A 28 -15.162 -6.524 3.467 1.00 0.37 H new ATOM 0 HA ALA A 28 -16.855 -5.944 1.315 1.00 0.33 H new ATOM 0 HB1 ALA A 28 -15.551 -3.846 1.208 1.00 0.33 H new ATOM 0 HB2 ALA A 28 -15.971 -4.276 2.883 1.00 0.33 H new ATOM 0 HB3 ALA A 28 -14.323 -4.563 2.278 1.00 0.33 H new ATOM 525 N CYS A 29 -13.751 -6.659 0.462 1.00 0.35 N ATOM 526 CA CYS A 29 -12.886 -7.046 -0.648 1.00 0.37 C ATOM 527 C CYS A 29 -13.414 -8.280 -1.383 1.00 0.38 C ATOM 528 O CYS A 29 -13.219 -8.416 -2.593 1.00 0.40 O ATOM 529 CB CYS A 29 -11.465 -7.308 -0.138 1.00 0.45 C ATOM 530 SG CYS A 29 -10.282 -7.765 -1.429 1.00 1.37 S ATOM 0 H CYS A 29 -13.286 -6.656 1.370 1.00 0.35 H new ATOM 0 HA CYS A 29 -12.874 -6.220 -1.359 1.00 0.37 H new ATOM 0 HB2 CYS A 29 -11.103 -6.414 0.370 1.00 0.45 H new ATOM 0 HB3 CYS A 29 -11.500 -8.105 0.605 1.00 0.45 H new ATOM 0 HG CYS A 29 -9.191 -7.074 -1.282 1.00 1.37 H new ATOM 536 N ARG A 30 -14.094 -9.168 -0.667 1.00 0.40 N ATOM 537 CA ARG A 30 -14.566 -10.405 -1.275 1.00 0.44 C ATOM 538 C ARG A 30 -15.806 -10.151 -2.129 1.00 0.42 C ATOM 539 O ARG A 30 -16.008 -10.797 -3.154 1.00 0.45 O ATOM 540 CB ARG A 30 -14.845 -11.482 -0.219 1.00 0.49 C ATOM 541 CG ARG A 30 -16.187 -11.359 0.477 1.00 0.53 C ATOM 542 CD ARG A 30 -16.395 -12.502 1.449 1.00 0.71 C ATOM 543 NE ARG A 30 -17.652 -12.379 2.171 1.00 1.12 N ATOM 544 CZ ARG A 30 -18.499 -13.387 2.379 1.00 1.68 C ATOM 545 NH1 ARG A 30 -18.251 -14.589 1.873 1.00 1.94 N ATOM 546 NH2 ARG A 30 -19.597 -13.185 3.093 1.00 2.41 N ATOM 0 H ARG A 30 -14.328 -9.057 0.320 1.00 0.40 H new ATOM 0 HA ARG A 30 -13.772 -10.776 -1.923 1.00 0.44 H new ATOM 0 HB2 ARG A 30 -14.787 -12.461 -0.695 1.00 0.49 H new ATOM 0 HB3 ARG A 30 -14.057 -11.446 0.533 1.00 0.49 H new ATOM 0 HG2 ARG A 30 -16.240 -10.409 1.009 1.00 0.53 H new ATOM 0 HG3 ARG A 30 -16.987 -11.355 -0.263 1.00 0.53 H new ATOM 0 HD2 ARG A 30 -16.379 -13.447 0.906 1.00 0.71 H new ATOM 0 HD3 ARG A 30 -15.569 -12.529 2.160 1.00 0.71 H new ATOM 0 HE ARG A 30 -17.901 -11.462 2.542 1.00 1.12 H new ATOM 0 HH11 ARG A 30 -17.408 -14.746 1.321 1.00 1.94 H new ATOM 0 HH12 ARG A 30 -18.904 -15.356 2.036 1.00 1.94 H new ATOM 0 HH21 ARG A 30 -19.791 -12.262 3.480 1.00 2.41 H new ATOM 0 HH22 ARG A 30 -20.248 -13.953 3.255 1.00 2.41 H new ATOM 560 N MET A 31 -16.630 -9.200 -1.710 1.00 0.39 N ATOM 561 CA MET A 31 -17.825 -8.858 -2.460 1.00 0.40 C ATOM 562 C MET A 31 -17.493 -7.993 -3.663 1.00 0.38 C ATOM 563 O MET A 31 -17.996 -8.228 -4.757 1.00 0.44 O ATOM 564 CB MET A 31 -18.822 -8.136 -1.567 1.00 0.39 C ATOM 565 CG MET A 31 -19.217 -8.946 -0.351 1.00 0.43 C ATOM 566 SD MET A 31 -20.318 -8.046 0.746 1.00 0.45 S ATOM 567 CE MET A 31 -19.179 -6.804 1.335 1.00 0.39 C ATOM 0 H MET A 31 -16.492 -8.656 -0.859 1.00 0.39 H new ATOM 0 HA MET A 31 -18.269 -9.787 -2.818 1.00 0.40 H new ATOM 0 HB2 MET A 31 -18.392 -7.189 -1.242 1.00 0.39 H new ATOM 0 HB3 MET A 31 -19.715 -7.899 -2.145 1.00 0.39 H new ATOM 0 HG2 MET A 31 -19.703 -9.866 -0.674 1.00 0.43 H new ATOM 0 HG3 MET A 31 -18.320 -9.235 0.197 1.00 0.43 H new ATOM 0 HE1 MET A 31 -19.675 -6.177 2.076 1.00 0.39 H new ATOM 0 HE2 MET A 31 -18.315 -7.289 1.790 1.00 0.39 H new ATOM 0 HE3 MET A 31 -18.850 -6.186 0.499 1.00 0.39 H new ATOM 577 N ILE A 32 -16.638 -6.999 -3.467 1.00 0.34 N ATOM 578 CA ILE A 32 -16.326 -6.062 -4.534 1.00 0.33 C ATOM 579 C ILE A 32 -15.680 -6.775 -5.728 1.00 0.36 C ATOM 580 O ILE A 32 -16.048 -6.525 -6.872 1.00 0.40 O ATOM 581 CB ILE A 32 -15.431 -4.901 -4.045 1.00 0.30 C ATOM 582 CG1 ILE A 32 -15.202 -3.905 -5.179 1.00 0.40 C ATOM 583 CG2 ILE A 32 -14.103 -5.413 -3.505 1.00 0.30 C ATOM 584 CD1 ILE A 32 -14.402 -2.697 -4.767 1.00 0.48 C ATOM 0 H ILE A 32 -16.153 -6.822 -2.587 1.00 0.34 H new ATOM 0 HA ILE A 32 -17.272 -5.631 -4.861 1.00 0.33 H new ATOM 0 HB ILE A 32 -15.945 -4.396 -3.227 1.00 0.30 H new ATOM 0 HG12 ILE A 32 -14.687 -4.410 -5.997 1.00 0.40 H new ATOM 0 HG13 ILE A 32 -16.168 -3.577 -5.564 1.00 0.40 H new ATOM 0 HG21 ILE A 32 -13.498 -4.571 -3.170 1.00 0.30 H new ATOM 0 HG22 ILE A 32 -14.286 -6.085 -2.667 1.00 0.30 H new ATOM 0 HG23 ILE A 32 -13.573 -5.950 -4.292 1.00 0.30 H new ATOM 0 HD11 ILE A 32 -14.279 -2.033 -5.623 1.00 0.48 H new ATOM 0 HD12 ILE A 32 -14.925 -2.168 -3.970 1.00 0.48 H new ATOM 0 HD13 ILE A 32 -13.422 -3.014 -4.409 1.00 0.48 H new ATOM 596 N ARG A 33 -14.742 -7.680 -5.452 1.00 0.36 N ATOM 597 CA ARG A 33 -14.112 -8.485 -6.500 1.00 0.41 C ATOM 598 C ARG A 33 -15.152 -9.351 -7.217 1.00 0.45 C ATOM 599 O ARG A 33 -14.992 -9.711 -8.383 1.00 0.49 O ATOM 600 CB ARG A 33 -13.004 -9.374 -5.919 1.00 0.45 C ATOM 601 CG ARG A 33 -13.515 -10.477 -5.006 1.00 1.01 C ATOM 602 CD ARG A 33 -12.397 -11.402 -4.553 1.00 0.94 C ATOM 603 NE ARG A 33 -11.421 -10.727 -3.694 1.00 0.64 N ATOM 604 CZ ARG A 33 -10.354 -11.334 -3.171 1.00 0.84 C ATOM 605 NH1 ARG A 33 -10.126 -12.617 -3.427 1.00 1.32 N ATOM 606 NH2 ARG A 33 -9.516 -10.662 -2.392 1.00 1.22 N ATOM 0 H ARG A 33 -14.401 -7.875 -4.511 1.00 0.36 H new ATOM 0 HA ARG A 33 -13.666 -7.800 -7.221 1.00 0.41 H new ATOM 0 HB2 ARG A 33 -12.445 -9.824 -6.739 1.00 0.45 H new ATOM 0 HB3 ARG A 33 -12.305 -8.750 -5.362 1.00 0.45 H new ATOM 0 HG2 ARG A 33 -13.995 -10.033 -4.134 1.00 1.01 H new ATOM 0 HG3 ARG A 33 -14.276 -11.057 -5.528 1.00 1.01 H new ATOM 0 HD2 ARG A 33 -12.826 -12.248 -4.015 1.00 0.94 H new ATOM 0 HD3 ARG A 33 -11.888 -11.806 -5.428 1.00 0.94 H new ATOM 0 HE ARG A 33 -11.565 -9.739 -3.484 1.00 0.64 H new ATOM 0 HH11 ARG A 33 -10.767 -13.140 -4.024 1.00 1.32 H new ATOM 0 HH12 ARG A 33 -9.310 -13.080 -3.027 1.00 1.32 H new ATOM 0 HH21 ARG A 33 -9.686 -9.677 -2.190 1.00 1.22 H new ATOM 0 HH22 ARG A 33 -8.702 -11.131 -1.995 1.00 1.22 H new ATOM 620 N GLU A 34 -16.209 -9.683 -6.497 1.00 0.46 N ATOM 621 CA GLU A 34 -17.238 -10.564 -7.020 1.00 0.51 C ATOM 622 C GLU A 34 -18.107 -9.834 -8.046 1.00 0.50 C ATOM 623 O GLU A 34 -18.172 -10.227 -9.212 1.00 0.54 O ATOM 624 CB GLU A 34 -18.099 -11.098 -5.876 1.00 0.55 C ATOM 625 CG GLU A 34 -19.034 -12.222 -6.282 1.00 0.90 C ATOM 626 CD GLU A 34 -18.288 -13.457 -6.741 1.00 1.51 C ATOM 627 OE1 GLU A 34 -17.799 -14.212 -5.878 1.00 1.50 O ATOM 628 OE2 GLU A 34 -18.187 -13.677 -7.968 1.00 2.40 O ATOM 0 H GLU A 34 -16.377 -9.355 -5.546 1.00 0.46 H new ATOM 0 HA GLU A 34 -16.755 -11.403 -7.521 1.00 0.51 H new ATOM 0 HB2 GLU A 34 -17.446 -11.452 -5.078 1.00 0.55 H new ATOM 0 HB3 GLU A 34 -18.689 -10.279 -5.465 1.00 0.55 H new ATOM 0 HG2 GLU A 34 -19.675 -12.480 -5.439 1.00 0.90 H new ATOM 0 HG3 GLU A 34 -19.687 -11.876 -7.084 1.00 0.90 H new ATOM 635 N ARG A 35 -18.752 -8.758 -7.608 1.00 0.51 N ATOM 636 CA ARG A 35 -19.697 -8.030 -8.456 1.00 0.55 C ATOM 637 C ARG A 35 -19.015 -7.031 -9.398 1.00 0.49 C ATOM 638 O ARG A 35 -19.501 -6.792 -10.504 1.00 0.54 O ATOM 639 CB ARG A 35 -20.755 -7.317 -7.601 1.00 0.72 C ATOM 640 CG ARG A 35 -20.179 -6.498 -6.458 1.00 0.77 C ATOM 641 CD ARG A 35 -20.642 -7.026 -5.107 1.00 0.79 C ATOM 642 NE ARG A 35 -22.011 -6.629 -4.788 1.00 1.02 N ATOM 643 CZ ARG A 35 -22.757 -7.209 -3.848 1.00 1.46 C ATOM 644 NH1 ARG A 35 -22.336 -8.305 -3.228 1.00 1.79 N ATOM 645 NH2 ARG A 35 -23.946 -6.709 -3.554 1.00 1.90 N ATOM 0 H ARG A 35 -18.640 -8.369 -6.672 1.00 0.51 H new ATOM 0 HA ARG A 35 -20.182 -8.776 -9.086 1.00 0.55 H new ATOM 0 HB2 ARG A 35 -21.344 -6.662 -8.243 1.00 0.72 H new ATOM 0 HB3 ARG A 35 -21.438 -8.061 -7.192 1.00 0.72 H new ATOM 0 HG2 ARG A 35 -19.090 -6.520 -6.505 1.00 0.77 H new ATOM 0 HG3 ARG A 35 -20.482 -5.456 -6.566 1.00 0.77 H new ATOM 0 HD2 ARG A 35 -20.573 -8.114 -5.103 1.00 0.79 H new ATOM 0 HD3 ARG A 35 -19.971 -6.661 -4.329 1.00 0.79 H new ATOM 0 HE ARG A 35 -22.422 -5.860 -5.318 1.00 1.02 H new ATOM 0 HH11 ARG A 35 -21.433 -8.712 -3.469 1.00 1.79 H new ATOM 0 HH12 ARG A 35 -22.916 -8.740 -2.510 1.00 1.79 H new ATOM 0 HH21 ARG A 35 -24.288 -5.883 -4.046 1.00 1.90 H new ATOM 0 HH22 ARG A 35 -24.521 -7.149 -2.835 1.00 1.90 H new ATOM 659 N ILE A 36 -17.909 -6.439 -8.967 1.00 0.45 N ATOM 660 CA ILE A 36 -17.247 -5.405 -9.763 1.00 0.43 C ATOM 661 C ILE A 36 -16.010 -5.953 -10.478 1.00 0.45 C ATOM 662 O ILE A 36 -14.996 -6.245 -9.847 1.00 0.44 O ATOM 663 CB ILE A 36 -16.849 -4.191 -8.895 1.00 0.43 C ATOM 664 CG1 ILE A 36 -18.070 -3.653 -8.144 1.00 0.43 C ATOM 665 CG2 ILE A 36 -16.233 -3.097 -9.757 1.00 0.44 C ATOM 666 CD1 ILE A 36 -17.766 -2.469 -7.252 1.00 0.44 C ATOM 0 H ILE A 36 -17.452 -6.652 -8.080 1.00 0.45 H new ATOM 0 HA ILE A 36 -17.967 -5.078 -10.513 1.00 0.43 H new ATOM 0 HB ILE A 36 -16.106 -4.515 -8.167 1.00 0.43 H new ATOM 0 HG12 ILE A 36 -18.832 -3.364 -8.868 1.00 0.43 H new ATOM 0 HG13 ILE A 36 -18.494 -4.454 -7.538 1.00 0.43 H new ATOM 0 HG21 ILE A 36 -15.959 -2.250 -9.129 1.00 0.44 H new ATOM 0 HG22 ILE A 36 -15.343 -3.483 -10.254 1.00 0.44 H new ATOM 0 HG23 ILE A 36 -16.956 -2.774 -10.506 1.00 0.44 H new ATOM 0 HD11 ILE A 36 -18.680 -2.145 -6.754 1.00 0.44 H new ATOM 0 HD12 ILE A 36 -17.028 -2.757 -6.504 1.00 0.44 H new ATOM 0 HD13 ILE A 36 -17.371 -1.651 -7.855 1.00 0.44 H new ATOM 678 N PRO A 37 -16.078 -6.085 -11.813 1.00 0.53 N ATOM 679 CA PRO A 37 -14.965 -6.589 -12.627 1.00 0.60 C ATOM 680 C PRO A 37 -13.837 -5.566 -12.768 1.00 0.61 C ATOM 681 O PRO A 37 -12.729 -5.896 -13.191 1.00 0.71 O ATOM 682 CB PRO A 37 -15.604 -6.864 -13.998 1.00 0.73 C ATOM 683 CG PRO A 37 -17.077 -6.709 -13.802 1.00 0.76 C ATOM 684 CD PRO A 37 -17.247 -5.776 -12.641 1.00 0.60 C ATOM 0 HA PRO A 37 -14.505 -7.467 -12.174 1.00 0.60 H new ATOM 0 HB2 PRO A 37 -15.234 -6.165 -14.748 1.00 0.73 H new ATOM 0 HB3 PRO A 37 -15.360 -7.867 -14.349 1.00 0.73 H new ATOM 0 HG2 PRO A 37 -17.549 -6.306 -14.698 1.00 0.76 H new ATOM 0 HG3 PRO A 37 -17.547 -7.672 -13.600 1.00 0.76 H new ATOM 0 HD2 PRO A 37 -17.257 -4.733 -12.957 1.00 0.60 H new ATOM 0 HD3 PRO A 37 -18.181 -5.956 -12.109 1.00 0.60 H new ATOM 692 N GLU A 38 -14.125 -4.322 -12.408 1.00 0.57 N ATOM 693 CA GLU A 38 -13.139 -3.249 -12.482 1.00 0.61 C ATOM 694 C GLU A 38 -12.175 -3.322 -11.304 1.00 0.54 C ATOM 695 O GLU A 38 -11.101 -2.722 -11.328 1.00 0.62 O ATOM 696 CB GLU A 38 -13.838 -1.889 -12.486 1.00 0.75 C ATOM 697 CG GLU A 38 -14.802 -1.696 -13.642 1.00 0.99 C ATOM 698 CD GLU A 38 -14.102 -1.630 -14.983 1.00 1.67 C ATOM 699 OE1 GLU A 38 -13.685 -2.691 -15.490 1.00 2.04 O ATOM 700 OE2 GLU A 38 -13.946 -0.516 -15.524 1.00 2.46 O ATOM 0 H GLU A 38 -15.038 -4.029 -12.060 1.00 0.57 H new ATOM 0 HA GLU A 38 -12.575 -3.369 -13.407 1.00 0.61 H new ATOM 0 HB2 GLU A 38 -14.381 -1.768 -11.549 1.00 0.75 H new ATOM 0 HB3 GLU A 38 -13.083 -1.104 -12.520 1.00 0.75 H new ATOM 0 HG2 GLU A 38 -15.520 -2.516 -13.652 1.00 0.99 H new ATOM 0 HG3 GLU A 38 -15.369 -0.778 -13.487 1.00 0.99 H new ATOM 707 N ALA A 39 -12.569 -4.067 -10.280 1.00 0.47 N ATOM 708 CA ALA A 39 -11.806 -4.138 -9.043 1.00 0.47 C ATOM 709 C ALA A 39 -10.528 -4.952 -9.212 1.00 0.49 C ATOM 710 O ALA A 39 -9.461 -4.549 -8.755 1.00 0.55 O ATOM 711 CB ALA A 39 -12.666 -4.729 -7.937 1.00 0.47 C ATOM 0 H ALA A 39 -13.417 -4.633 -10.283 1.00 0.47 H new ATOM 0 HA ALA A 39 -11.514 -3.124 -8.772 1.00 0.47 H new ATOM 0 HB1 ALA A 39 -12.088 -4.779 -7.014 1.00 0.47 H new ATOM 0 HB2 ALA A 39 -13.543 -4.100 -7.782 1.00 0.47 H new ATOM 0 HB3 ALA A 39 -12.984 -5.732 -8.220 1.00 0.47 H new ATOM 717 N LEU A 40 -10.633 -6.091 -9.877 1.00 0.50 N ATOM 718 CA LEU A 40 -9.493 -6.986 -10.016 1.00 0.59 C ATOM 719 C LEU A 40 -8.753 -6.761 -11.332 1.00 0.67 C ATOM 720 O LEU A 40 -8.697 -7.634 -12.195 1.00 0.99 O ATOM 721 CB LEU A 40 -9.883 -8.474 -9.835 1.00 0.65 C ATOM 722 CG LEU A 40 -11.263 -8.934 -10.353 1.00 0.62 C ATOM 723 CD1 LEU A 40 -12.385 -8.418 -9.472 1.00 1.29 C ATOM 724 CD2 LEU A 40 -11.489 -8.507 -11.791 1.00 1.19 C ATOM 0 H LEU A 40 -11.489 -6.417 -10.326 1.00 0.50 H new ATOM 0 HA LEU A 40 -8.807 -6.738 -9.206 1.00 0.59 H new ATOM 0 HB2 LEU A 40 -9.123 -9.080 -10.328 1.00 0.65 H new ATOM 0 HB3 LEU A 40 -9.833 -8.704 -8.771 1.00 0.65 H new ATOM 0 HG LEU A 40 -11.269 -10.023 -10.315 1.00 0.62 H new ATOM 0 HD11 LEU A 40 -13.343 -8.760 -9.865 1.00 1.29 H new ATOM 0 HD12 LEU A 40 -12.254 -8.795 -8.458 1.00 1.29 H new ATOM 0 HD13 LEU A 40 -12.366 -7.328 -9.460 1.00 1.29 H new ATOM 0 HD21 LEU A 40 -12.470 -8.848 -12.122 1.00 1.19 H new ATOM 0 HD22 LEU A 40 -11.440 -7.420 -11.860 1.00 1.19 H new ATOM 0 HD23 LEU A 40 -10.719 -8.946 -12.426 1.00 1.19 H new ATOM 736 N ALA A 41 -8.171 -5.576 -11.471 1.00 0.65 N ATOM 737 CA ALA A 41 -7.355 -5.251 -12.634 1.00 0.74 C ATOM 738 C ALA A 41 -6.066 -6.068 -12.620 1.00 0.81 C ATOM 739 O ALA A 41 -5.341 -6.148 -13.615 1.00 1.15 O ATOM 740 CB ALA A 41 -7.047 -3.762 -12.660 1.00 0.92 C ATOM 0 H ALA A 41 -8.250 -4.821 -10.789 1.00 0.65 H new ATOM 0 HA ALA A 41 -7.912 -5.503 -13.537 1.00 0.74 H new ATOM 0 HB1 ALA A 41 -6.437 -3.532 -13.533 1.00 0.92 H new ATOM 0 HB2 ALA A 41 -7.979 -3.199 -12.710 1.00 0.92 H new ATOM 0 HB3 ALA A 41 -6.504 -3.487 -11.756 1.00 0.92 H new ATOM 746 N GLY A 42 -5.793 -6.655 -11.466 1.00 0.75 N ATOM 747 CA GLY A 42 -4.673 -7.551 -11.305 1.00 0.86 C ATOM 748 C GLY A 42 -5.048 -8.709 -10.405 1.00 0.80 C ATOM 749 O GLY A 42 -6.222 -9.081 -10.348 1.00 0.82 O ATOM 0 H GLY A 42 -6.345 -6.520 -10.619 1.00 0.75 H new ATOM 0 HA2 GLY A 42 -4.357 -7.926 -12.278 1.00 0.86 H new ATOM 0 HA3 GLY A 42 -3.826 -7.012 -10.881 1.00 0.86 H new ATOM 753 N PRO A 43 -4.088 -9.302 -9.688 1.00 0.83 N ATOM 754 CA PRO A 43 -4.370 -10.383 -8.740 1.00 0.82 C ATOM 755 C PRO A 43 -5.248 -9.900 -7.587 1.00 0.72 C ATOM 756 O PRO A 43 -4.916 -8.921 -6.921 1.00 0.66 O ATOM 757 CB PRO A 43 -2.986 -10.791 -8.222 1.00 0.94 C ATOM 758 CG PRO A 43 -2.014 -10.216 -9.194 1.00 1.09 C ATOM 759 CD PRO A 43 -2.657 -8.978 -9.742 1.00 0.98 C ATOM 0 HA PRO A 43 -4.913 -11.205 -9.205 1.00 0.82 H new ATOM 0 HB2 PRO A 43 -2.813 -10.404 -7.218 1.00 0.94 H new ATOM 0 HB3 PRO A 43 -2.891 -11.875 -8.167 1.00 0.94 H new ATOM 0 HG2 PRO A 43 -1.068 -9.981 -8.706 1.00 1.09 H new ATOM 0 HG3 PRO A 43 -1.794 -10.926 -9.991 1.00 1.09 H new ATOM 0 HD2 PRO A 43 -2.419 -8.099 -9.143 1.00 0.98 H new ATOM 0 HD3 PRO A 43 -2.328 -8.768 -10.760 1.00 0.98 H new ATOM 767 N PRO A 44 -6.376 -10.586 -7.329 1.00 0.76 N ATOM 768 CA PRO A 44 -7.346 -10.171 -6.303 1.00 0.73 C ATOM 769 C PRO A 44 -6.747 -10.128 -4.897 1.00 0.69 C ATOM 770 O PRO A 44 -7.231 -9.401 -4.032 1.00 0.74 O ATOM 771 CB PRO A 44 -8.443 -11.240 -6.384 1.00 0.93 C ATOM 772 CG PRO A 44 -7.806 -12.399 -7.068 1.00 0.99 C ATOM 773 CD PRO A 44 -6.800 -11.815 -8.018 1.00 0.89 C ATOM 0 HA PRO A 44 -7.704 -9.157 -6.484 1.00 0.73 H new ATOM 0 HB2 PRO A 44 -8.799 -11.515 -5.391 1.00 0.93 H new ATOM 0 HB3 PRO A 44 -9.306 -10.878 -6.943 1.00 0.93 H new ATOM 0 HG2 PRO A 44 -7.325 -13.061 -6.348 1.00 0.99 H new ATOM 0 HG3 PRO A 44 -8.548 -12.993 -7.602 1.00 0.99 H new ATOM 0 HD2 PRO A 44 -5.963 -12.493 -8.188 1.00 0.89 H new ATOM 0 HD3 PRO A 44 -7.240 -11.601 -8.992 1.00 0.89 H new ATOM 781 N ASN A 45 -5.684 -10.897 -4.684 1.00 0.72 N ATOM 782 CA ASN A 45 -5.020 -10.951 -3.381 1.00 0.77 C ATOM 783 C ASN A 45 -4.229 -9.673 -3.150 1.00 0.71 C ATOM 784 O ASN A 45 -3.874 -9.338 -2.019 1.00 0.85 O ATOM 785 CB ASN A 45 -4.063 -12.147 -3.299 1.00 0.87 C ATOM 786 CG ASN A 45 -4.589 -13.379 -4.006 1.00 1.41 C ATOM 787 OD1 ASN A 45 -5.341 -14.168 -3.437 1.00 2.21 O ATOM 788 ND2 ASN A 45 -4.162 -13.574 -5.243 1.00 1.37 N ATOM 0 H ASN A 45 -5.262 -11.493 -5.396 1.00 0.72 H new ATOM 0 HA ASN A 45 -5.790 -11.060 -2.617 1.00 0.77 H new ATOM 0 HB2 ASN A 45 -3.104 -11.867 -3.734 1.00 0.87 H new ATOM 0 HB3 ASN A 45 -3.880 -12.387 -2.252 1.00 0.87 H new ATOM 0 HD21 ASN A 45 -4.456 -14.403 -5.759 1.00 1.37 H new ATOM 0 HD22 ASN A 45 -3.538 -12.895 -5.680 1.00 1.37 H new ATOM 795 N ASP A 46 -3.978 -8.959 -4.236 1.00 0.61 N ATOM 796 CA ASP A 46 -3.105 -7.795 -4.218 1.00 0.68 C ATOM 797 C ASP A 46 -3.888 -6.506 -4.033 1.00 0.57 C ATOM 798 O ASP A 46 -3.326 -5.426 -4.160 1.00 0.61 O ATOM 799 CB ASP A 46 -2.332 -7.696 -5.536 1.00 0.83 C ATOM 800 CG ASP A 46 -1.252 -8.745 -5.705 1.00 1.22 C ATOM 801 OD1 ASP A 46 -1.390 -9.858 -5.164 1.00 1.38 O ATOM 802 OD2 ASP A 46 -0.266 -8.458 -6.414 1.00 1.90 O ATOM 0 H ASP A 46 -4.372 -9.169 -5.153 1.00 0.61 H new ATOM 0 HA ASP A 46 -2.422 -7.921 -3.378 1.00 0.68 H new ATOM 0 HB2 ASP A 46 -3.036 -7.779 -6.364 1.00 0.83 H new ATOM 0 HB3 ASP A 46 -1.876 -6.708 -5.603 1.00 0.83 H new ATOM 807 N PHE A 47 -5.173 -6.604 -3.743 1.00 0.53 N ATOM 808 CA PHE A 47 -6.011 -5.415 -3.661 1.00 0.47 C ATOM 809 C PHE A 47 -6.578 -5.216 -2.263 1.00 0.44 C ATOM 810 O PHE A 47 -7.035 -6.162 -1.622 1.00 0.48 O ATOM 811 CB PHE A 47 -7.147 -5.480 -4.680 1.00 0.49 C ATOM 812 CG PHE A 47 -6.702 -5.270 -6.097 1.00 0.51 C ATOM 813 CD1 PHE A 47 -6.434 -4.001 -6.573 1.00 0.78 C ATOM 814 CD2 PHE A 47 -6.552 -6.348 -6.953 1.00 0.79 C ATOM 815 CE1 PHE A 47 -6.024 -3.810 -7.875 1.00 0.80 C ATOM 816 CE2 PHE A 47 -6.142 -6.163 -8.258 1.00 0.85 C ATOM 817 CZ PHE A 47 -5.880 -4.867 -8.718 1.00 0.63 C ATOM 0 H PHE A 47 -5.658 -7.483 -3.562 1.00 0.53 H new ATOM 0 HA PHE A 47 -5.375 -4.560 -3.890 1.00 0.47 H new ATOM 0 HB2 PHE A 47 -7.637 -6.451 -4.603 1.00 0.49 H new ATOM 0 HB3 PHE A 47 -7.893 -4.726 -4.428 1.00 0.49 H new ATOM 0 HD1 PHE A 47 -6.547 -3.150 -5.918 1.00 0.78 H new ATOM 0 HD2 PHE A 47 -6.758 -7.346 -6.595 1.00 0.79 H new ATOM 0 HE1 PHE A 47 -5.815 -2.811 -8.229 1.00 0.80 H new ATOM 0 HE2 PHE A 47 -6.024 -7.010 -8.918 1.00 0.85 H new ATOM 0 HZ PHE A 47 -5.565 -4.707 -9.739 1.00 0.63 H new ATOM 827 N GLY A 48 -6.528 -3.976 -1.800 1.00 0.42 N ATOM 828 CA GLY A 48 -7.071 -3.641 -0.500 1.00 0.41 C ATOM 829 C GLY A 48 -7.893 -2.372 -0.532 1.00 0.35 C ATOM 830 O GLY A 48 -8.108 -1.791 -1.596 1.00 0.34 O ATOM 0 H GLY A 48 -6.118 -3.191 -2.306 1.00 0.42 H new ATOM 0 HA2 GLY A 48 -7.691 -4.464 -0.144 1.00 0.41 H new ATOM 0 HA3 GLY A 48 -6.255 -3.525 0.213 1.00 0.41 H new ATOM 834 N LEU A 49 -8.345 -1.933 0.633 1.00 0.31 N ATOM 835 CA LEU A 49 -9.203 -0.764 0.723 1.00 0.28 C ATOM 836 C LEU A 49 -8.418 0.462 1.178 1.00 0.29 C ATOM 837 O LEU A 49 -7.945 0.528 2.308 1.00 0.31 O ATOM 838 CB LEU A 49 -10.362 -1.032 1.686 1.00 0.26 C ATOM 839 CG LEU A 49 -11.236 -2.240 1.342 1.00 0.26 C ATOM 840 CD1 LEU A 49 -12.351 -2.396 2.360 1.00 0.27 C ATOM 841 CD2 LEU A 49 -11.813 -2.108 -0.056 1.00 0.25 C ATOM 0 H LEU A 49 -8.131 -2.370 1.529 1.00 0.31 H new ATOM 0 HA LEU A 49 -9.603 -0.562 -0.271 1.00 0.28 H new ATOM 0 HB2 LEU A 49 -9.955 -1.173 2.687 1.00 0.26 H new ATOM 0 HB3 LEU A 49 -10.995 -0.145 1.721 1.00 0.26 H new ATOM 0 HG LEU A 49 -10.610 -3.132 1.371 1.00 0.26 H new ATOM 0 HD11 LEU A 49 -12.963 -3.260 2.100 1.00 0.27 H new ATOM 0 HD12 LEU A 49 -11.921 -2.541 3.351 1.00 0.27 H new ATOM 0 HD13 LEU A 49 -12.971 -1.499 2.361 1.00 0.27 H new ATOM 0 HD21 LEU A 49 -12.431 -2.978 -0.278 1.00 0.25 H new ATOM 0 HD22 LEU A 49 -12.422 -1.206 -0.114 1.00 0.25 H new ATOM 0 HD23 LEU A 49 -11.001 -2.045 -0.780 1.00 0.25 H new ATOM 853 N PHE A 50 -8.250 1.402 0.272 1.00 0.29 N ATOM 854 CA PHE A 50 -7.635 2.680 0.601 1.00 0.30 C ATOM 855 C PHE A 50 -8.715 3.721 0.873 1.00 0.30 C ATOM 856 O PHE A 50 -9.674 3.848 0.117 1.00 0.31 O ATOM 857 CB PHE A 50 -6.715 3.142 -0.533 1.00 0.34 C ATOM 858 CG PHE A 50 -6.003 4.433 -0.241 1.00 0.34 C ATOM 859 CD1 PHE A 50 -4.924 4.464 0.632 1.00 0.37 C ATOM 860 CD2 PHE A 50 -6.413 5.616 -0.834 1.00 0.36 C ATOM 861 CE1 PHE A 50 -4.274 5.648 0.903 1.00 0.38 C ATOM 862 CE2 PHE A 50 -5.762 6.804 -0.565 1.00 0.38 C ATOM 863 CZ PHE A 50 -4.691 6.818 0.305 1.00 0.37 C ATOM 0 H PHE A 50 -8.531 1.309 -0.704 1.00 0.29 H new ATOM 0 HA PHE A 50 -7.030 2.558 1.500 1.00 0.30 H new ATOM 0 HB2 PHE A 50 -5.976 2.365 -0.729 1.00 0.34 H new ATOM 0 HB3 PHE A 50 -7.304 3.259 -1.443 1.00 0.34 H new ATOM 0 HD1 PHE A 50 -4.591 3.551 1.103 1.00 0.37 H new ATOM 0 HD2 PHE A 50 -7.252 5.609 -1.515 1.00 0.36 H new ATOM 0 HE1 PHE A 50 -3.437 5.660 1.585 1.00 0.38 H new ATOM 0 HE2 PHE A 50 -6.090 7.720 -1.034 1.00 0.38 H new ATOM 0 HZ PHE A 50 -4.180 7.745 0.517 1.00 0.37 H new ATOM 873 N LEU A 51 -8.569 4.460 1.958 1.00 0.30 N ATOM 874 CA LEU A 51 -9.560 5.457 2.320 1.00 0.32 C ATOM 875 C LEU A 51 -9.101 6.828 1.849 1.00 0.36 C ATOM 876 O LEU A 51 -8.079 7.347 2.306 1.00 0.38 O ATOM 877 CB LEU A 51 -9.798 5.452 3.836 1.00 0.33 C ATOM 878 CG LEU A 51 -11.199 5.893 4.291 1.00 0.35 C ATOM 879 CD1 LEU A 51 -11.410 7.387 4.095 1.00 0.46 C ATOM 880 CD2 LEU A 51 -12.265 5.111 3.540 1.00 0.41 C ATOM 0 H LEU A 51 -7.779 4.390 2.600 1.00 0.30 H new ATOM 0 HA LEU A 51 -10.504 5.216 1.832 1.00 0.32 H new ATOM 0 HB2 LEU A 51 -9.614 4.445 4.211 1.00 0.33 H new ATOM 0 HB3 LEU A 51 -9.061 6.106 4.303 1.00 0.33 H new ATOM 0 HG LEU A 51 -11.282 5.683 5.357 1.00 0.35 H new ATOM 0 HD11 LEU A 51 -12.411 7.660 4.428 1.00 0.46 H new ATOM 0 HD12 LEU A 51 -10.671 7.938 4.677 1.00 0.46 H new ATOM 0 HD13 LEU A 51 -11.299 7.635 3.039 1.00 0.46 H new ATOM 0 HD21 LEU A 51 -13.253 5.432 3.871 1.00 0.41 H new ATOM 0 HD22 LEU A 51 -12.164 5.293 2.470 1.00 0.41 H new ATOM 0 HD23 LEU A 51 -12.144 4.046 3.740 1.00 0.41 H new ATOM 892 N SER A 52 -9.854 7.395 0.922 1.00 0.42 N ATOM 893 CA SER A 52 -9.538 8.696 0.361 1.00 0.53 C ATOM 894 C SER A 52 -9.964 9.812 1.311 1.00 0.61 C ATOM 895 O SER A 52 -11.154 10.014 1.557 1.00 0.93 O ATOM 896 CB SER A 52 -10.235 8.850 -0.991 1.00 0.67 C ATOM 897 OG SER A 52 -9.938 7.753 -1.837 1.00 1.28 O ATOM 0 H SER A 52 -10.698 6.968 0.539 1.00 0.42 H new ATOM 0 HA SER A 52 -8.460 8.769 0.220 1.00 0.53 H new ATOM 0 HB2 SER A 52 -11.313 8.920 -0.844 1.00 0.67 H new ATOM 0 HB3 SER A 52 -9.917 9.778 -1.466 1.00 0.67 H new ATOM 0 HG SER A 52 -10.395 7.870 -2.696 1.00 1.28 H new ATOM 903 N ASP A 53 -8.987 10.522 1.853 1.00 0.74 N ATOM 904 CA ASP A 53 -9.257 11.620 2.773 1.00 0.90 C ATOM 905 C ASP A 53 -9.106 12.948 2.046 1.00 1.04 C ATOM 906 O ASP A 53 -10.071 13.697 1.891 1.00 1.28 O ATOM 907 CB ASP A 53 -8.300 11.568 3.971 1.00 0.89 C ATOM 908 CG ASP A 53 -8.621 12.614 5.024 1.00 1.18 C ATOM 909 OD1 ASP A 53 -8.300 13.802 4.805 1.00 1.24 O ATOM 910 OD2 ASP A 53 -9.195 12.257 6.078 1.00 1.42 O ATOM 0 H ASP A 53 -7.997 10.358 1.672 1.00 0.74 H new ATOM 0 HA ASP A 53 -10.278 11.524 3.142 1.00 0.90 H new ATOM 0 HB2 ASP A 53 -8.345 10.577 4.424 1.00 0.89 H new ATOM 0 HB3 ASP A 53 -7.278 11.713 3.621 1.00 0.89 H new ATOM 915 N ASP A 54 -7.891 13.204 1.572 1.00 0.93 N ATOM 916 CA ASP A 54 -7.556 14.453 0.892 1.00 1.10 C ATOM 917 C ASP A 54 -6.100 14.431 0.451 1.00 1.02 C ATOM 918 O ASP A 54 -5.775 14.677 -0.711 1.00 1.22 O ATOM 919 CB ASP A 54 -7.790 15.651 1.818 1.00 1.26 C ATOM 920 CG ASP A 54 -7.386 16.967 1.187 1.00 1.47 C ATOM 921 OD1 ASP A 54 -8.133 17.474 0.325 1.00 1.73 O ATOM 922 OD2 ASP A 54 -6.332 17.519 1.572 1.00 1.45 O ATOM 0 H ASP A 54 -7.110 12.552 1.648 1.00 0.93 H new ATOM 0 HA ASP A 54 -8.200 14.551 0.018 1.00 1.10 H new ATOM 0 HB2 ASP A 54 -8.844 15.693 2.091 1.00 1.26 H new ATOM 0 HB3 ASP A 54 -7.227 15.507 2.740 1.00 1.26 H new ATOM 927 N ASP A 55 -5.226 14.117 1.391 1.00 0.87 N ATOM 928 CA ASP A 55 -3.795 14.086 1.130 1.00 0.94 C ATOM 929 C ASP A 55 -3.230 12.737 1.557 1.00 0.87 C ATOM 930 O ASP A 55 -3.714 12.154 2.524 1.00 0.71 O ATOM 931 CB ASP A 55 -3.112 15.228 1.893 1.00 0.99 C ATOM 932 CG ASP A 55 -1.677 15.448 1.469 1.00 1.39 C ATOM 933 OD1 ASP A 55 -1.455 16.188 0.486 1.00 1.58 O ATOM 934 OD2 ASP A 55 -0.767 14.888 2.113 1.00 1.79 O ATOM 0 H ASP A 55 -5.483 13.878 2.349 1.00 0.87 H new ATOM 0 HA ASP A 55 -3.609 14.219 0.064 1.00 0.94 H new ATOM 0 HB2 ASP A 55 -3.676 16.148 1.739 1.00 0.99 H new ATOM 0 HB3 ASP A 55 -3.140 15.012 2.961 1.00 0.99 H new ATOM 939 N PRO A 56 -2.223 12.210 0.834 1.00 1.06 N ATOM 940 CA PRO A 56 -1.592 10.914 1.138 1.00 1.08 C ATOM 941 C PRO A 56 -1.178 10.756 2.604 1.00 0.98 C ATOM 942 O PRO A 56 -1.168 9.645 3.128 1.00 0.97 O ATOM 943 CB PRO A 56 -0.350 10.885 0.230 1.00 1.35 C ATOM 944 CG PRO A 56 -0.240 12.255 -0.352 1.00 1.48 C ATOM 945 CD PRO A 56 -1.631 12.814 -0.363 1.00 1.33 C ATOM 0 HA PRO A 56 -2.292 10.097 0.965 1.00 1.08 H new ATOM 0 HB2 PRO A 56 0.544 10.629 0.798 1.00 1.35 H new ATOM 0 HB3 PRO A 56 -0.456 10.135 -0.553 1.00 1.35 H new ATOM 0 HG2 PRO A 56 0.426 12.879 0.243 1.00 1.48 H new ATOM 0 HG3 PRO A 56 0.173 12.218 -1.360 1.00 1.48 H new ATOM 0 HD2 PRO A 56 -1.632 13.903 -0.311 1.00 1.33 H new ATOM 0 HD3 PRO A 56 -2.173 12.538 -1.268 1.00 1.33 H new ATOM 953 N LYS A 57 -0.838 11.863 3.261 1.00 0.99 N ATOM 954 CA LYS A 57 -0.444 11.826 4.671 1.00 1.02 C ATOM 955 C LYS A 57 -1.652 11.539 5.564 1.00 0.82 C ATOM 956 O LYS A 57 -1.516 10.983 6.654 1.00 0.87 O ATOM 957 CB LYS A 57 0.204 13.152 5.085 1.00 1.25 C ATOM 958 CG LYS A 57 1.373 13.564 4.202 1.00 1.51 C ATOM 959 CD LYS A 57 2.567 12.632 4.357 1.00 1.62 C ATOM 960 CE LYS A 57 3.528 13.092 5.450 1.00 2.08 C ATOM 961 NZ LYS A 57 2.927 13.050 6.810 1.00 2.93 N ATOM 0 H LYS A 57 -0.827 12.794 2.843 1.00 0.99 H new ATOM 0 HA LYS A 57 0.283 11.023 4.795 1.00 1.02 H new ATOM 0 HB2 LYS A 57 -0.551 13.938 5.063 1.00 1.25 H new ATOM 0 HB3 LYS A 57 0.550 13.071 6.116 1.00 1.25 H new ATOM 0 HG2 LYS A 57 1.054 13.572 3.160 1.00 1.51 H new ATOM 0 HG3 LYS A 57 1.674 14.582 4.451 1.00 1.51 H new ATOM 0 HD2 LYS A 57 2.212 11.628 4.588 1.00 1.62 H new ATOM 0 HD3 LYS A 57 3.102 12.571 3.409 1.00 1.62 H new ATOM 0 HE2 LYS A 57 4.417 12.462 5.433 1.00 2.08 H new ATOM 0 HE3 LYS A 57 3.854 14.110 5.234 1.00 2.08 H new ATOM 0 HZ1 LYS A 57 3.682 13.089 7.524 1.00 2.93 H new ATOM 0 HZ2 LYS A 57 2.291 13.863 6.934 1.00 2.93 H new ATOM 0 HZ3 LYS A 57 2.388 12.168 6.924 1.00 2.93 H new ATOM 975 N LYS A 58 -2.832 11.922 5.089 1.00 0.69 N ATOM 976 CA LYS A 58 -4.072 11.705 5.829 1.00 0.65 C ATOM 977 C LYS A 58 -4.741 10.413 5.379 1.00 0.56 C ATOM 978 O LYS A 58 -5.465 9.777 6.146 1.00 0.63 O ATOM 979 CB LYS A 58 -5.044 12.869 5.633 1.00 0.73 C ATOM 980 CG LYS A 58 -4.659 14.141 6.370 1.00 0.94 C ATOM 981 CD LYS A 58 -3.535 14.892 5.676 1.00 1.24 C ATOM 982 CE LYS A 58 -3.332 16.271 6.282 1.00 1.55 C ATOM 983 NZ LYS A 58 -3.056 16.209 7.740 1.00 2.16 N ATOM 0 H LYS A 58 -2.957 12.387 4.190 1.00 0.69 H new ATOM 0 HA LYS A 58 -3.815 11.635 6.886 1.00 0.65 H new ATOM 0 HB2 LYS A 58 -5.118 13.089 4.568 1.00 0.73 H new ATOM 0 HB3 LYS A 58 -6.035 12.558 5.964 1.00 0.73 H new ATOM 0 HG2 LYS A 58 -5.531 14.790 6.450 1.00 0.94 H new ATOM 0 HG3 LYS A 58 -4.353 13.891 7.386 1.00 0.94 H new ATOM 0 HD2 LYS A 58 -2.611 14.319 5.753 1.00 1.24 H new ATOM 0 HD3 LYS A 58 -3.762 14.989 4.614 1.00 1.24 H new ATOM 0 HE2 LYS A 58 -2.503 16.769 5.778 1.00 1.55 H new ATOM 0 HE3 LYS A 58 -4.221 16.877 6.108 1.00 1.55 H new ATOM 0 HZ1 LYS A 58 -2.775 17.151 8.080 1.00 2.16 H new ATOM 0 HZ2 LYS A 58 -3.913 15.900 8.243 1.00 2.16 H new ATOM 0 HZ3 LYS A 58 -2.287 15.532 7.919 1.00 2.16 H new ATOM 997 N GLY A 59 -4.511 10.050 4.121 1.00 0.54 N ATOM 998 CA GLY A 59 -5.072 8.828 3.578 1.00 0.59 C ATOM 999 C GLY A 59 -4.547 7.605 4.296 1.00 0.54 C ATOM 1000 O GLY A 59 -3.401 7.589 4.749 1.00 0.58 O ATOM 0 H GLY A 59 -3.942 10.585 3.465 1.00 0.54 H new ATOM 0 HA2 GLY A 59 -6.159 8.859 3.659 1.00 0.59 H new ATOM 0 HA3 GLY A 59 -4.833 8.758 2.517 1.00 0.59 H new ATOM 1004 N ILE A 60 -5.364 6.567 4.381 1.00 0.49 N ATOM 1005 CA ILE A 60 -5.022 5.399 5.178 1.00 0.47 C ATOM 1006 C ILE A 60 -5.390 4.118 4.460 1.00 0.42 C ATOM 1007 O ILE A 60 -6.235 4.113 3.562 1.00 0.41 O ATOM 1008 CB ILE A 60 -5.729 5.403 6.549 1.00 0.51 C ATOM 1009 CG1 ILE A 60 -7.226 5.683 6.379 1.00 0.55 C ATOM 1010 CG2 ILE A 60 -5.085 6.415 7.481 1.00 0.60 C ATOM 1011 CD1 ILE A 60 -8.020 5.565 7.660 1.00 0.65 C ATOM 0 H ILE A 60 -6.266 6.509 3.909 1.00 0.49 H new ATOM 0 HA ILE A 60 -3.944 5.446 5.332 1.00 0.47 H new ATOM 0 HB ILE A 60 -5.619 4.416 6.999 1.00 0.51 H new ATOM 0 HG12 ILE A 60 -7.354 6.687 5.975 1.00 0.55 H new ATOM 0 HG13 ILE A 60 -7.634 4.989 5.644 1.00 0.55 H new ATOM 0 HG21 ILE A 60 -5.598 6.402 8.443 1.00 0.60 H new ATOM 0 HG22 ILE A 60 -4.035 6.159 7.626 1.00 0.60 H new ATOM 0 HG23 ILE A 60 -5.159 7.411 7.044 1.00 0.60 H new ATOM 0 HD11 ILE A 60 -9.070 5.777 7.458 1.00 0.65 H new ATOM 0 HD12 ILE A 60 -7.924 4.554 8.056 1.00 0.65 H new ATOM 0 HD13 ILE A 60 -7.639 6.278 8.391 1.00 0.65 H new ATOM 1023 N TRP A 61 -4.754 3.036 4.866 1.00 0.42 N ATOM 1024 CA TRP A 61 -5.104 1.728 4.366 1.00 0.40 C ATOM 1025 C TRP A 61 -6.023 1.036 5.344 1.00 0.40 C ATOM 1026 O TRP A 61 -5.849 1.128 6.559 1.00 0.48 O ATOM 1027 CB TRP A 61 -3.865 0.878 4.109 1.00 0.44 C ATOM 1028 CG TRP A 61 -3.238 1.168 2.788 1.00 0.43 C ATOM 1029 CD1 TRP A 61 -2.172 1.974 2.548 1.00 0.48 C ATOM 1030 CD2 TRP A 61 -3.655 0.660 1.521 1.00 0.41 C ATOM 1031 NE1 TRP A 61 -1.894 2.001 1.206 1.00 0.49 N ATOM 1032 CE2 TRP A 61 -2.789 1.197 0.552 1.00 0.45 C ATOM 1033 CE3 TRP A 61 -4.674 -0.202 1.113 1.00 0.41 C ATOM 1034 CZ2 TRP A 61 -2.915 0.902 -0.799 1.00 0.48 C ATOM 1035 CZ3 TRP A 61 -4.798 -0.494 -0.228 1.00 0.45 C ATOM 1036 CH2 TRP A 61 -3.922 0.055 -1.170 1.00 0.48 C ATOM 0 H TRP A 61 -3.991 3.041 5.543 1.00 0.42 H new ATOM 0 HA TRP A 61 -5.619 1.855 3.414 1.00 0.40 H new ATOM 0 HB2 TRP A 61 -3.136 1.055 4.900 1.00 0.44 H new ATOM 0 HB3 TRP A 61 -4.136 -0.177 4.155 1.00 0.44 H new ATOM 0 HD1 TRP A 61 -1.623 2.515 3.304 1.00 0.48 H new ATOM 0 HE1 TRP A 61 -1.143 2.533 0.766 1.00 0.49 H new ATOM 0 HE3 TRP A 61 -5.353 -0.632 1.835 1.00 0.41 H new ATOM 0 HZ2 TRP A 61 -2.242 1.326 -1.530 1.00 0.48 H new ATOM 0 HZ3 TRP A 61 -5.584 -1.157 -0.557 1.00 0.45 H new ATOM 0 HH2 TRP A 61 -4.044 -0.196 -2.213 1.00 0.48 H new ATOM 1047 N LEU A 62 -7.021 0.376 4.815 1.00 0.36 N ATOM 1048 CA LEU A 62 -7.969 -0.326 5.633 1.00 0.37 C ATOM 1049 C LEU A 62 -7.591 -1.800 5.712 1.00 0.42 C ATOM 1050 O LEU A 62 -7.673 -2.525 4.723 1.00 0.43 O ATOM 1051 CB LEU A 62 -9.380 -0.140 5.069 1.00 0.33 C ATOM 1052 CG LEU A 62 -9.781 1.317 4.812 1.00 0.31 C ATOM 1053 CD1 LEU A 62 -11.159 1.394 4.187 1.00 0.29 C ATOM 1054 CD2 LEU A 62 -9.743 2.126 6.096 1.00 0.35 C ATOM 0 H LEU A 62 -7.197 0.312 3.812 1.00 0.36 H new ATOM 0 HA LEU A 62 -7.954 0.081 6.644 1.00 0.37 H new ATOM 0 HB2 LEU A 62 -9.459 -0.694 4.134 1.00 0.33 H new ATOM 0 HB3 LEU A 62 -10.095 -0.582 5.763 1.00 0.33 H new ATOM 0 HG LEU A 62 -9.059 1.742 4.115 1.00 0.31 H new ATOM 0 HD11 LEU A 62 -11.422 2.437 4.014 1.00 0.29 H new ATOM 0 HD12 LEU A 62 -11.159 0.858 3.238 1.00 0.29 H new ATOM 0 HD13 LEU A 62 -11.889 0.942 4.859 1.00 0.29 H new ATOM 0 HD21 LEU A 62 -10.032 3.156 5.886 1.00 0.35 H new ATOM 0 HD22 LEU A 62 -10.436 1.695 6.818 1.00 0.35 H new ATOM 0 HD23 LEU A 62 -8.734 2.109 6.507 1.00 0.35 H new ATOM 1066 N GLU A 63 -7.133 -2.220 6.884 1.00 0.48 N ATOM 1067 CA GLU A 63 -6.732 -3.606 7.110 1.00 0.55 C ATOM 1068 C GLU A 63 -7.932 -4.450 7.514 1.00 0.52 C ATOM 1069 O GLU A 63 -8.943 -3.927 7.974 1.00 0.48 O ATOM 1070 CB GLU A 63 -5.674 -3.696 8.209 1.00 0.65 C ATOM 1071 CG GLU A 63 -6.173 -3.182 9.547 1.00 0.68 C ATOM 1072 CD GLU A 63 -5.641 -1.804 9.871 1.00 1.07 C ATOM 1073 OE1 GLU A 63 -5.971 -0.853 9.134 1.00 1.30 O ATOM 1074 OE2 GLU A 63 -4.893 -1.667 10.858 1.00 1.42 O ATOM 0 H GLU A 63 -7.029 -1.617 7.700 1.00 0.48 H new ATOM 0 HA GLU A 63 -6.315 -3.983 6.176 1.00 0.55 H new ATOM 0 HB2 GLU A 63 -5.357 -4.733 8.318 1.00 0.65 H new ATOM 0 HB3 GLU A 63 -4.796 -3.124 7.910 1.00 0.65 H new ATOM 0 HG2 GLU A 63 -7.263 -3.155 9.539 1.00 0.68 H new ATOM 0 HG3 GLU A 63 -5.877 -3.877 10.333 1.00 0.68 H new ATOM 1081 N ALA A 64 -7.806 -5.758 7.377 1.00 0.58 N ATOM 1082 CA ALA A 64 -8.880 -6.669 7.740 1.00 0.58 C ATOM 1083 C ALA A 64 -9.004 -6.805 9.258 1.00 0.60 C ATOM 1084 O ALA A 64 -9.839 -7.557 9.758 1.00 0.65 O ATOM 1085 CB ALA A 64 -8.651 -8.030 7.105 1.00 0.64 C ATOM 0 H ALA A 64 -6.969 -6.215 7.016 1.00 0.58 H new ATOM 0 HA ALA A 64 -9.815 -6.254 7.364 1.00 0.58 H new ATOM 0 HB1 ALA A 64 -9.462 -8.703 7.384 1.00 0.64 H new ATOM 0 HB2 ALA A 64 -8.624 -7.925 6.020 1.00 0.64 H new ATOM 0 HB3 ALA A 64 -7.703 -8.440 7.454 1.00 0.64 H new ATOM 1091 N GLY A 65 -8.176 -6.062 9.981 1.00 0.64 N ATOM 1092 CA GLY A 65 -8.188 -6.120 11.429 1.00 0.70 C ATOM 1093 C GLY A 65 -9.028 -5.025 12.063 1.00 0.70 C ATOM 1094 O GLY A 65 -8.926 -4.784 13.265 1.00 0.84 O ATOM 0 H GLY A 65 -7.492 -5.416 9.587 1.00 0.64 H new ATOM 0 HA2 GLY A 65 -8.570 -7.091 11.744 1.00 0.70 H new ATOM 0 HA3 GLY A 65 -7.165 -6.044 11.798 1.00 0.70 H new ATOM 1098 N LYS A 66 -9.860 -4.358 11.266 1.00 0.60 N ATOM 1099 CA LYS A 66 -10.750 -3.335 11.789 1.00 0.61 C ATOM 1100 C LYS A 66 -11.922 -3.146 10.833 1.00 0.54 C ATOM 1101 O LYS A 66 -11.835 -3.508 9.655 1.00 0.47 O ATOM 1102 CB LYS A 66 -9.993 -2.012 12.038 1.00 0.66 C ATOM 1103 CG LYS A 66 -10.058 -0.985 10.910 1.00 0.60 C ATOM 1104 CD LYS A 66 -9.375 -1.478 9.653 1.00 0.56 C ATOM 1105 CE LYS A 66 -9.270 -0.392 8.603 1.00 0.61 C ATOM 1106 NZ LYS A 66 -8.115 0.518 8.861 1.00 1.29 N ATOM 0 H LYS A 66 -9.933 -4.510 10.260 1.00 0.60 H new ATOM 0 HA LYS A 66 -11.140 -3.658 12.754 1.00 0.61 H new ATOM 0 HB2 LYS A 66 -10.390 -1.554 12.944 1.00 0.66 H new ATOM 0 HB3 LYS A 66 -8.946 -2.246 12.231 1.00 0.66 H new ATOM 0 HG2 LYS A 66 -11.100 -0.755 10.689 1.00 0.60 H new ATOM 0 HG3 LYS A 66 -9.589 -0.057 11.237 1.00 0.60 H new ATOM 0 HD2 LYS A 66 -8.377 -1.841 9.901 1.00 0.56 H new ATOM 0 HD3 LYS A 66 -9.930 -2.323 9.246 1.00 0.56 H new ATOM 0 HE2 LYS A 66 -9.161 -0.847 7.619 1.00 0.61 H new ATOM 0 HE3 LYS A 66 -10.193 0.188 8.586 1.00 0.61 H new ATOM 0 HZ1 LYS A 66 -7.876 1.031 7.989 1.00 1.29 H new ATOM 0 HZ2 LYS A 66 -8.369 1.199 9.605 1.00 1.29 H new ATOM 0 HZ3 LYS A 66 -7.294 -0.041 9.169 1.00 1.29 H new ATOM 1120 N ALA A 67 -13.015 -2.605 11.334 1.00 0.57 N ATOM 1121 CA ALA A 67 -14.205 -2.437 10.526 1.00 0.52 C ATOM 1122 C ALA A 67 -14.171 -1.099 9.803 1.00 0.47 C ATOM 1123 O ALA A 67 -13.413 -0.201 10.175 1.00 0.47 O ATOM 1124 CB ALA A 67 -15.451 -2.569 11.389 1.00 0.59 C ATOM 0 H ALA A 67 -13.103 -2.275 12.295 1.00 0.57 H new ATOM 0 HA ALA A 67 -14.234 -3.223 9.771 1.00 0.52 H new ATOM 0 HB1 ALA A 67 -16.338 -2.441 10.769 1.00 0.59 H new ATOM 0 HB2 ALA A 67 -15.471 -3.556 11.851 1.00 0.59 H new ATOM 0 HB3 ALA A 67 -15.438 -1.805 12.166 1.00 0.59 H new ATOM 1130 N LEU A 68 -14.978 -0.978 8.761 1.00 0.45 N ATOM 1131 CA LEU A 68 -15.041 0.249 7.979 1.00 0.40 C ATOM 1132 C LEU A 68 -15.654 1.373 8.808 1.00 0.43 C ATOM 1133 O LEU A 68 -15.053 2.430 9.000 1.00 0.44 O ATOM 1134 CB LEU A 68 -15.879 0.029 6.720 1.00 0.37 C ATOM 1135 CG LEU A 68 -15.436 -1.128 5.823 1.00 0.36 C ATOM 1136 CD1 LEU A 68 -16.380 -1.279 4.641 1.00 0.36 C ATOM 1137 CD2 LEU A 68 -14.013 -0.904 5.344 1.00 0.37 C ATOM 0 H LEU A 68 -15.601 -1.717 8.435 1.00 0.45 H new ATOM 0 HA LEU A 68 -14.027 0.528 7.692 1.00 0.40 H new ATOM 0 HB2 LEU A 68 -16.913 -0.143 7.019 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -15.866 0.947 6.132 1.00 0.37 H new ATOM 0 HG LEU A 68 -15.467 -2.050 6.404 1.00 0.36 H new ATOM 0 HD11 LEU A 68 -16.049 -2.107 4.014 1.00 0.36 H new ATOM 0 HD12 LEU A 68 -17.388 -1.479 5.004 1.00 0.36 H new ATOM 0 HD13 LEU A 68 -16.381 -0.359 4.056 1.00 0.36 H new ATOM 0 HD21 LEU A 68 -13.709 -1.734 4.706 1.00 0.37 H new ATOM 0 HD22 LEU A 68 -13.962 0.026 4.778 1.00 0.37 H new ATOM 0 HD23 LEU A 68 -13.345 -0.843 6.203 1.00 0.37 H new ATOM 1149 N ASP A 69 -16.846 1.102 9.322 1.00 0.47 N ATOM 1150 CA ASP A 69 -17.614 2.068 10.112 1.00 0.52 C ATOM 1151 C ASP A 69 -16.909 2.408 11.425 1.00 0.58 C ATOM 1152 O ASP A 69 -17.260 3.381 12.094 1.00 0.65 O ATOM 1153 CB ASP A 69 -19.015 1.506 10.388 1.00 0.58 C ATOM 1154 CG ASP A 69 -19.842 2.370 11.324 1.00 0.86 C ATOM 1155 OD1 ASP A 69 -20.465 3.345 10.847 1.00 1.14 O ATOM 1156 OD2 ASP A 69 -19.859 2.095 12.539 1.00 1.16 O ATOM 0 H ASP A 69 -17.314 0.203 9.205 1.00 0.47 H new ATOM 0 HA ASP A 69 -17.697 2.991 9.538 1.00 0.52 H new ATOM 0 HB2 ASP A 69 -19.547 1.397 9.443 1.00 0.58 H new ATOM 0 HB3 ASP A 69 -18.919 0.508 10.817 1.00 0.58 H new ATOM 1161 N TYR A 70 -15.915 1.605 11.793 1.00 0.59 N ATOM 1162 CA TYR A 70 -15.087 1.907 12.948 1.00 0.65 C ATOM 1163 C TYR A 70 -14.432 3.276 12.769 1.00 0.62 C ATOM 1164 O TYR A 70 -14.286 4.039 13.724 1.00 0.67 O ATOM 1165 CB TYR A 70 -14.044 0.796 13.153 1.00 0.69 C ATOM 1166 CG TYR A 70 -12.763 1.254 13.810 1.00 0.81 C ATOM 1167 CD1 TYR A 70 -12.722 1.599 15.154 1.00 1.02 C ATOM 1168 CD2 TYR A 70 -11.593 1.348 13.072 1.00 0.84 C ATOM 1169 CE1 TYR A 70 -11.547 2.024 15.745 1.00 1.21 C ATOM 1170 CE2 TYR A 70 -10.416 1.773 13.652 1.00 1.05 C ATOM 1171 CZ TYR A 70 -10.396 2.111 14.987 1.00 1.22 C ATOM 1172 OH TYR A 70 -9.222 2.538 15.565 1.00 1.45 O ATOM 0 H TYR A 70 -15.667 0.743 11.307 1.00 0.59 H new ATOM 0 HA TYR A 70 -15.705 1.947 13.845 1.00 0.65 H new ATOM 0 HB2 TYR A 70 -14.487 0.007 13.760 1.00 0.69 H new ATOM 0 HB3 TYR A 70 -13.804 0.357 12.185 1.00 0.69 H new ATOM 0 HD1 TYR A 70 -13.622 1.534 15.747 1.00 1.02 H new ATOM 0 HD2 TYR A 70 -11.603 1.084 12.025 1.00 0.84 H new ATOM 0 HE1 TYR A 70 -11.529 2.286 16.793 1.00 1.21 H new ATOM 0 HE2 TYR A 70 -9.514 1.840 13.062 1.00 1.05 H new ATOM 0 HH TYR A 70 -8.509 2.540 14.893 1.00 1.45 H new ATOM 1182 N TYR A 71 -14.052 3.582 11.536 1.00 0.57 N ATOM 1183 CA TYR A 71 -13.536 4.899 11.195 1.00 0.58 C ATOM 1184 C TYR A 71 -14.674 5.902 11.003 1.00 0.60 C ATOM 1185 O TYR A 71 -15.759 5.739 11.555 1.00 0.69 O ATOM 1186 CB TYR A 71 -12.664 4.823 9.941 1.00 0.56 C ATOM 1187 CG TYR A 71 -11.283 4.287 10.220 1.00 0.56 C ATOM 1188 CD1 TYR A 71 -10.304 5.080 10.802 1.00 0.58 C ATOM 1189 CD2 TYR A 71 -10.952 2.981 9.880 1.00 0.62 C ATOM 1190 CE1 TYR A 71 -9.045 4.584 11.033 1.00 0.63 C ATOM 1191 CE2 TYR A 71 -9.688 2.481 10.116 1.00 0.66 C ATOM 1192 CZ TYR A 71 -8.746 3.313 10.774 1.00 0.65 C ATOM 1193 OH TYR A 71 -7.475 2.812 10.934 1.00 0.72 O ATOM 0 H TYR A 71 -14.092 2.931 10.752 1.00 0.57 H new ATOM 0 HA TYR A 71 -12.920 5.247 12.024 1.00 0.58 H new ATOM 0 HB2 TYR A 71 -13.153 4.188 9.202 1.00 0.56 H new ATOM 0 HB3 TYR A 71 -12.581 5.817 9.501 1.00 0.56 H new ATOM 0 HD1 TYR A 71 -10.535 6.099 11.076 1.00 0.58 H new ATOM 0 HD2 TYR A 71 -11.697 2.346 9.423 1.00 0.62 H new ATOM 0 HE1 TYR A 71 -8.283 5.237 11.432 1.00 0.63 H new ATOM 0 HE2 TYR A 71 -9.422 1.481 9.807 1.00 0.66 H new ATOM 0 HH TYR A 71 -7.526 1.889 11.260 1.00 0.72 H new ATOM 1203 N MET A 72 -14.421 6.937 10.219 1.00 0.60 N ATOM 1204 CA MET A 72 -15.396 8.005 10.021 1.00 0.69 C ATOM 1205 C MET A 72 -16.247 7.772 8.774 1.00 0.63 C ATOM 1206 O MET A 72 -16.842 8.711 8.247 1.00 0.75 O ATOM 1207 CB MET A 72 -14.669 9.346 9.895 1.00 0.83 C ATOM 1208 CG MET A 72 -13.915 9.756 11.149 1.00 1.02 C ATOM 1209 SD MET A 72 -12.871 11.206 10.895 1.00 1.73 S ATOM 1210 CE MET A 72 -14.083 12.397 10.329 1.00 2.38 C ATOM 0 H MET A 72 -13.548 7.063 9.707 1.00 0.60 H new ATOM 0 HA MET A 72 -16.060 8.014 10.885 1.00 0.69 H new ATOM 0 HB2 MET A 72 -13.968 9.291 9.062 1.00 0.83 H new ATOM 0 HB3 MET A 72 -15.395 10.121 9.650 1.00 0.83 H new ATOM 0 HG2 MET A 72 -14.630 9.964 11.945 1.00 1.02 H new ATOM 0 HG3 MET A 72 -13.297 8.923 11.484 1.00 1.02 H new ATOM 0 HE1 MET A 72 -13.654 13.398 10.366 1.00 2.38 H new ATOM 0 HE2 MET A 72 -14.371 12.164 9.304 1.00 2.38 H new ATOM 0 HE3 MET A 72 -14.962 12.355 10.972 1.00 2.38 H new ATOM 1220 N LEU A 73 -16.336 6.526 8.319 1.00 0.56 N ATOM 1221 CA LEU A 73 -17.007 6.245 7.051 1.00 0.54 C ATOM 1222 C LEU A 73 -18.478 5.970 7.249 1.00 0.50 C ATOM 1223 O LEU A 73 -18.897 5.399 8.255 1.00 0.60 O ATOM 1224 CB LEU A 73 -16.395 5.057 6.302 1.00 0.71 C ATOM 1225 CG LEU A 73 -14.999 4.609 6.729 1.00 0.43 C ATOM 1226 CD1 LEU A 73 -14.559 3.430 5.882 1.00 0.88 C ATOM 1227 CD2 LEU A 73 -14.001 5.745 6.607 1.00 0.88 C ATOM 0 H LEU A 73 -15.960 5.707 8.798 1.00 0.56 H new ATOM 0 HA LEU A 73 -16.871 7.145 6.452 1.00 0.54 H new ATOM 0 HB2 LEU A 73 -17.070 4.207 6.407 1.00 0.71 H new ATOM 0 HB3 LEU A 73 -16.360 5.307 5.242 1.00 0.71 H new ATOM 0 HG LEU A 73 -15.037 4.307 7.776 1.00 0.43 H new ATOM 0 HD11 LEU A 73 -13.562 3.113 6.189 1.00 0.88 H new ATOM 0 HD12 LEU A 73 -15.259 2.605 6.015 1.00 0.88 H new ATOM 0 HD13 LEU A 73 -14.539 3.723 4.832 1.00 0.88 H new ATOM 0 HD21 LEU A 73 -13.015 5.398 6.917 1.00 0.88 H new ATOM 0 HD22 LEU A 73 -13.958 6.082 5.571 1.00 0.88 H new ATOM 0 HD23 LEU A 73 -14.312 6.573 7.245 1.00 0.88 H new ATOM 1239 N ARG A 74 -19.238 6.381 6.256 1.00 0.48 N ATOM 1240 CA ARG A 74 -20.672 6.187 6.210 1.00 0.52 C ATOM 1241 C ARG A 74 -21.191 6.596 4.833 1.00 0.46 C ATOM 1242 O ARG A 74 -20.429 6.610 3.867 1.00 0.45 O ATOM 1243 CB ARG A 74 -21.368 6.954 7.351 1.00 0.65 C ATOM 1244 CG ARG A 74 -20.820 8.353 7.633 1.00 1.17 C ATOM 1245 CD ARG A 74 -21.235 9.367 6.580 1.00 1.64 C ATOM 1246 NE ARG A 74 -20.085 9.916 5.869 1.00 2.05 N ATOM 1247 CZ ARG A 74 -20.033 11.149 5.364 1.00 2.72 C ATOM 1248 NH1 ARG A 74 -21.057 11.981 5.516 1.00 2.96 N ATOM 1249 NH2 ARG A 74 -18.945 11.552 4.724 1.00 3.29 N ATOM 0 H ARG A 74 -18.868 6.870 5.441 1.00 0.48 H new ATOM 0 HA ARG A 74 -20.905 5.133 6.362 1.00 0.52 H new ATOM 0 HB2 ARG A 74 -22.429 7.039 7.114 1.00 0.65 H new ATOM 0 HB3 ARG A 74 -21.291 6.362 8.263 1.00 0.65 H new ATOM 0 HG2 ARG A 74 -21.170 8.686 8.610 1.00 1.17 H new ATOM 0 HG3 ARG A 74 -19.732 8.310 7.682 1.00 1.17 H new ATOM 0 HD2 ARG A 74 -21.910 8.894 5.867 1.00 1.64 H new ATOM 0 HD3 ARG A 74 -21.789 10.177 7.055 1.00 1.64 H new ATOM 0 HE ARG A 74 -19.268 9.317 5.751 1.00 2.05 H new ATOM 0 HH11 ARG A 74 -21.890 11.678 6.022 1.00 2.96 H new ATOM 0 HH12 ARG A 74 -21.011 12.923 5.127 1.00 2.96 H new ATOM 0 HH21 ARG A 74 -18.151 10.920 4.619 1.00 3.29 H new ATOM 0 HH22 ARG A 74 -18.901 12.494 4.336 1.00 3.29 H new ATOM 1263 N ASN A 75 -22.470 6.920 4.736 1.00 0.49 N ATOM 1264 CA ASN A 75 -23.078 7.238 3.443 1.00 0.47 C ATOM 1265 C ASN A 75 -22.487 8.509 2.856 1.00 0.48 C ATOM 1266 O ASN A 75 -22.726 9.604 3.365 1.00 0.56 O ATOM 1267 CB ASN A 75 -24.600 7.403 3.553 1.00 0.52 C ATOM 1268 CG ASN A 75 -25.342 6.091 3.716 1.00 0.52 C ATOM 1269 OD1 ASN A 75 -26.444 5.925 3.194 1.00 0.72 O ATOM 1270 ND2 ASN A 75 -24.765 5.161 4.457 1.00 0.51 N ATOM 0 H ASN A 75 -23.109 6.971 5.529 1.00 0.49 H new ATOM 0 HA ASN A 75 -22.861 6.397 2.785 1.00 0.47 H new ATOM 0 HB2 ASN A 75 -24.827 8.047 4.403 1.00 0.52 H new ATOM 0 HB3 ASN A 75 -24.968 7.910 2.661 1.00 0.52 H new ATOM 0 HD21 ASN A 75 -25.234 4.269 4.612 1.00 0.51 H new ATOM 0 HD22 ASN A 75 -23.850 5.335 4.873 1.00 0.51 H new ATOM 1277 N GLY A 76 -21.706 8.358 1.796 1.00 0.45 N ATOM 1278 CA GLY A 76 -21.182 9.513 1.100 1.00 0.51 C ATOM 1279 C GLY A 76 -19.670 9.510 0.992 1.00 0.47 C ATOM 1280 O GLY A 76 -19.102 10.294 0.231 1.00 0.55 O ATOM 0 H GLY A 76 -21.427 7.457 1.407 1.00 0.45 H new ATOM 0 HA2 GLY A 76 -21.611 9.551 0.099 1.00 0.51 H new ATOM 0 HA3 GLY A 76 -21.501 10.417 1.618 1.00 0.51 H new ATOM 1284 N ASP A 77 -19.006 8.639 1.743 1.00 0.42 N ATOM 1285 CA ASP A 77 -17.550 8.610 1.735 1.00 0.42 C ATOM 1286 C ASP A 77 -17.014 7.855 0.534 1.00 0.38 C ATOM 1287 O ASP A 77 -17.515 6.788 0.170 1.00 0.40 O ATOM 1288 CB ASP A 77 -17.002 8.000 3.023 1.00 0.44 C ATOM 1289 CG ASP A 77 -17.307 8.857 4.227 1.00 0.74 C ATOM 1290 OD1 ASP A 77 -16.776 9.975 4.308 1.00 1.05 O ATOM 1291 OD2 ASP A 77 -18.064 8.403 5.110 1.00 1.00 O ATOM 0 H ASP A 77 -19.446 7.953 2.357 1.00 0.42 H new ATOM 0 HA ASP A 77 -17.211 9.644 1.668 1.00 0.42 H new ATOM 0 HB2 ASP A 77 -17.431 7.008 3.166 1.00 0.44 H new ATOM 0 HB3 ASP A 77 -15.923 7.871 2.933 1.00 0.44 H new ATOM 1296 N THR A 78 -16.006 8.431 -0.091 1.00 0.36 N ATOM 1297 CA THR A 78 -15.331 7.801 -1.204 1.00 0.35 C ATOM 1298 C THR A 78 -14.208 6.909 -0.688 1.00 0.31 C ATOM 1299 O THR A 78 -13.387 7.335 0.128 1.00 0.34 O ATOM 1300 CB THR A 78 -14.763 8.865 -2.166 1.00 0.42 C ATOM 1301 OG1 THR A 78 -15.802 9.785 -2.525 1.00 0.50 O ATOM 1302 CG2 THR A 78 -14.189 8.229 -3.425 1.00 0.42 C ATOM 0 H THR A 78 -15.634 9.347 0.159 1.00 0.36 H new ATOM 0 HA THR A 78 -16.051 7.192 -1.751 1.00 0.35 H new ATOM 0 HB THR A 78 -13.956 9.390 -1.655 1.00 0.42 H new ATOM 0 HG1 THR A 78 -15.443 10.463 -3.135 1.00 0.50 H new ATOM 0 HG21 THR A 78 -13.798 9.007 -4.080 1.00 0.42 H new ATOM 0 HG22 THR A 78 -13.385 7.545 -3.153 1.00 0.42 H new ATOM 0 HG23 THR A 78 -14.973 7.678 -3.944 1.00 0.42 H new ATOM 1310 N MET A 79 -14.185 5.674 -1.151 1.00 0.27 N ATOM 1311 CA MET A 79 -13.185 4.719 -0.724 1.00 0.27 C ATOM 1312 C MET A 79 -12.510 4.128 -1.949 1.00 0.28 C ATOM 1313 O MET A 79 -13.156 3.485 -2.777 1.00 0.27 O ATOM 1314 CB MET A 79 -13.819 3.613 0.125 1.00 0.23 C ATOM 1315 CG MET A 79 -12.802 2.753 0.856 1.00 0.27 C ATOM 1316 SD MET A 79 -13.566 1.456 1.847 1.00 0.65 S ATOM 1317 CE MET A 79 -14.211 0.388 0.568 1.00 0.24 C ATOM 0 H MET A 79 -14.854 5.308 -1.828 1.00 0.27 H new ATOM 0 HA MET A 79 -12.442 5.227 -0.108 1.00 0.27 H new ATOM 0 HB2 MET A 79 -14.491 4.066 0.854 1.00 0.23 H new ATOM 0 HB3 MET A 79 -14.427 2.976 -0.517 1.00 0.23 H new ATOM 0 HG2 MET A 79 -12.128 2.299 0.130 1.00 0.27 H new ATOM 0 HG3 MET A 79 -12.194 3.387 1.502 1.00 0.27 H new ATOM 0 HE1 MET A 79 -14.256 -0.636 0.938 1.00 0.24 H new ATOM 0 HE2 MET A 79 -15.212 0.718 0.289 1.00 0.24 H new ATOM 0 HE3 MET A 79 -13.559 0.430 -0.304 1.00 0.24 H new ATOM 1327 N GLU A 80 -11.224 4.372 -2.074 1.00 0.32 N ATOM 1328 CA GLU A 80 -10.484 3.920 -3.231 1.00 0.35 C ATOM 1329 C GLU A 80 -10.147 2.442 -3.090 1.00 0.33 C ATOM 1330 O GLU A 80 -9.569 2.020 -2.090 1.00 0.33 O ATOM 1331 CB GLU A 80 -9.195 4.731 -3.380 1.00 0.40 C ATOM 1332 CG GLU A 80 -8.601 4.667 -4.776 1.00 0.53 C ATOM 1333 CD GLU A 80 -7.332 5.478 -4.919 1.00 0.69 C ATOM 1334 OE1 GLU A 80 -7.414 6.724 -4.902 1.00 1.04 O ATOM 1335 OE2 GLU A 80 -6.246 4.872 -5.021 1.00 1.04 O ATOM 0 H GLU A 80 -10.668 4.882 -1.387 1.00 0.32 H new ATOM 0 HA GLU A 80 -11.100 4.063 -4.119 1.00 0.35 H new ATOM 0 HB2 GLU A 80 -9.398 5.772 -3.127 1.00 0.40 H new ATOM 0 HB3 GLU A 80 -8.460 4.366 -2.663 1.00 0.40 H new ATOM 0 HG2 GLU A 80 -8.391 3.627 -5.028 1.00 0.53 H new ATOM 0 HG3 GLU A 80 -9.338 5.026 -5.495 1.00 0.53 H new ATOM 1342 N TYR A 81 -10.500 1.647 -4.084 1.00 0.33 N ATOM 1343 CA TYR A 81 -10.099 0.261 -4.099 1.00 0.33 C ATOM 1344 C TYR A 81 -8.894 0.135 -5.003 1.00 0.36 C ATOM 1345 O TYR A 81 -9.007 0.194 -6.229 1.00 0.39 O ATOM 1346 CB TYR A 81 -11.240 -0.633 -4.593 1.00 0.33 C ATOM 1347 CG TYR A 81 -10.967 -2.118 -4.464 1.00 0.33 C ATOM 1348 CD1 TYR A 81 -11.177 -2.786 -3.265 1.00 0.34 C ATOM 1349 CD2 TYR A 81 -10.487 -2.847 -5.543 1.00 0.37 C ATOM 1350 CE1 TYR A 81 -10.918 -4.139 -3.148 1.00 0.36 C ATOM 1351 CE2 TYR A 81 -10.226 -4.198 -5.434 1.00 0.39 C ATOM 1352 CZ TYR A 81 -10.488 -4.847 -4.220 1.00 0.38 C ATOM 1353 OH TYR A 81 -10.178 -6.187 -4.126 1.00 0.42 O ATOM 0 H TYR A 81 -11.060 1.939 -4.885 1.00 0.33 H new ATOM 0 HA TYR A 81 -9.848 -0.064 -3.089 1.00 0.33 H new ATOM 0 HB2 TYR A 81 -12.144 -0.391 -4.034 1.00 0.33 H new ATOM 0 HB3 TYR A 81 -11.441 -0.402 -5.639 1.00 0.33 H new ATOM 0 HD1 TYR A 81 -11.548 -2.240 -2.410 1.00 0.34 H new ATOM 0 HD2 TYR A 81 -10.315 -2.348 -6.485 1.00 0.37 H new ATOM 0 HE1 TYR A 81 -11.059 -4.633 -2.198 1.00 0.36 H new ATOM 0 HE2 TYR A 81 -9.825 -4.747 -6.273 1.00 0.39 H new ATOM 0 HH TYR A 81 -10.165 -6.454 -3.183 1.00 0.42 H new ATOM 1363 N ARG A 82 -7.740 -0.006 -4.398 1.00 0.37 N ATOM 1364 CA ARG A 82 -6.510 -0.023 -5.158 1.00 0.39 C ATOM 1365 C ARG A 82 -5.625 -1.163 -4.713 1.00 0.40 C ATOM 1366 O ARG A 82 -5.909 -1.839 -3.720 1.00 0.42 O ATOM 1367 CB ARG A 82 -5.755 1.310 -5.059 1.00 0.42 C ATOM 1368 CG ARG A 82 -5.392 1.729 -3.646 1.00 0.44 C ATOM 1369 CD ARG A 82 -4.256 2.746 -3.648 1.00 0.56 C ATOM 1370 NE ARG A 82 -3.006 2.169 -4.155 1.00 0.65 N ATOM 1371 CZ ARG A 82 -1.980 2.888 -4.624 1.00 0.88 C ATOM 1372 NH1 ARG A 82 -2.043 4.215 -4.652 1.00 1.08 N ATOM 1373 NH2 ARG A 82 -0.889 2.274 -5.071 1.00 1.03 N ATOM 0 H ARG A 82 -7.624 -0.110 -3.390 1.00 0.37 H new ATOM 0 HA ARG A 82 -6.779 -0.171 -6.204 1.00 0.39 H new ATOM 0 HB2 ARG A 82 -4.841 1.239 -5.649 1.00 0.42 H new ATOM 0 HB3 ARG A 82 -6.365 2.092 -5.510 1.00 0.42 H new ATOM 0 HG2 ARG A 82 -6.266 2.157 -3.155 1.00 0.44 H new ATOM 0 HG3 ARG A 82 -5.098 0.853 -3.068 1.00 0.44 H new ATOM 0 HD2 ARG A 82 -4.536 3.602 -4.262 1.00 0.56 H new ATOM 0 HD3 ARG A 82 -4.100 3.118 -2.635 1.00 0.56 H new ATOM 0 HE ARG A 82 -2.913 1.153 -4.150 1.00 0.65 H new ATOM 0 HH11 ARG A 82 -2.878 4.693 -4.314 1.00 1.08 H new ATOM 0 HH12 ARG A 82 -1.256 4.755 -5.011 1.00 1.08 H new ATOM 0 HH21 ARG A 82 -0.835 1.256 -5.056 1.00 1.03 H new ATOM 0 HH22 ARG A 82 -0.106 2.821 -5.429 1.00 1.03 H new ATOM 1387 N LYS A 83 -4.559 -1.373 -5.458 1.00 0.43 N ATOM 1388 CA LYS A 83 -3.614 -2.423 -5.158 1.00 0.45 C ATOM 1389 C LYS A 83 -2.958 -2.153 -3.806 1.00 0.42 C ATOM 1390 O LYS A 83 -2.413 -1.068 -3.587 1.00 0.42 O ATOM 1391 CB LYS A 83 -2.569 -2.494 -6.278 1.00 0.53 C ATOM 1392 CG LYS A 83 -1.750 -3.772 -6.296 1.00 0.60 C ATOM 1393 CD LYS A 83 -0.845 -3.823 -7.516 1.00 0.70 C ATOM 1394 CE LYS A 83 -0.015 -5.096 -7.551 1.00 1.25 C ATOM 1395 NZ LYS A 83 -0.837 -6.289 -7.868 1.00 1.74 N ATOM 0 H LYS A 83 -4.326 -0.822 -6.284 1.00 0.43 H new ATOM 0 HA LYS A 83 -4.126 -3.384 -5.099 1.00 0.45 H new ATOM 0 HB2 LYS A 83 -3.076 -2.389 -7.237 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -1.892 -1.645 -6.180 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -1.148 -3.835 -5.390 1.00 0.60 H new ATOM 0 HG3 LYS A 83 -2.416 -4.635 -6.297 1.00 0.60 H new ATOM 0 HD2 LYS A 83 -1.450 -3.759 -8.420 1.00 0.70 H new ATOM 0 HD3 LYS A 83 -0.183 -2.957 -7.514 1.00 0.70 H new ATOM 0 HE2 LYS A 83 0.775 -4.993 -8.295 1.00 1.25 H new ATOM 0 HE3 LYS A 83 0.472 -5.238 -6.586 1.00 1.25 H new ATOM 0 HZ1 LYS A 83 -0.494 -7.103 -7.318 1.00 1.74 H new ATOM 0 HZ2 LYS A 83 -1.830 -6.101 -7.625 1.00 1.74 H new ATOM 0 HZ3 LYS A 83 -0.764 -6.501 -8.883 1.00 1.74 H new ATOM 1409 N LYS A 84 -3.054 -3.132 -2.899 1.00 0.44 N ATOM 1410 CA LYS A 84 -2.426 -3.059 -1.577 1.00 0.46 C ATOM 1411 C LYS A 84 -0.978 -2.654 -1.712 1.00 0.46 C ATOM 1412 O LYS A 84 -0.439 -1.889 -0.913 1.00 0.52 O ATOM 1413 CB LYS A 84 -2.465 -4.427 -0.890 1.00 0.54 C ATOM 1414 CG LYS A 84 -3.700 -4.697 -0.057 1.00 0.55 C ATOM 1415 CD LYS A 84 -3.759 -3.804 1.168 1.00 0.66 C ATOM 1416 CE LYS A 84 -4.673 -4.389 2.233 1.00 0.67 C ATOM 1417 NZ LYS A 84 -4.206 -5.730 2.684 1.00 1.32 N ATOM 0 H LYS A 84 -3.570 -3.997 -3.062 1.00 0.44 H new ATOM 0 HA LYS A 84 -2.975 -2.325 -0.987 1.00 0.46 H new ATOM 0 HB2 LYS A 84 -2.385 -5.201 -1.653 1.00 0.54 H new ATOM 0 HB3 LYS A 84 -1.588 -4.519 -0.250 1.00 0.54 H new ATOM 0 HG2 LYS A 84 -4.591 -4.539 -0.665 1.00 0.55 H new ATOM 0 HG3 LYS A 84 -3.708 -5.742 0.254 1.00 0.55 H new ATOM 0 HD2 LYS A 84 -2.756 -3.676 1.576 1.00 0.66 H new ATOM 0 HD3 LYS A 84 -4.116 -2.814 0.883 1.00 0.66 H new ATOM 0 HE2 LYS A 84 -4.716 -3.713 3.087 1.00 0.67 H new ATOM 0 HE3 LYS A 84 -5.686 -4.470 1.839 1.00 0.67 H new ATOM 0 HZ1 LYS A 84 -4.525 -5.899 3.659 1.00 1.32 H new ATOM 0 HZ2 LYS A 84 -4.599 -6.463 2.059 1.00 1.32 H new ATOM 0 HZ3 LYS A 84 -3.167 -5.766 2.649 1.00 1.32 H new ATOM 1431 N GLN A 85 -0.363 -3.191 -2.740 1.00 0.44 N ATOM 1432 CA GLN A 85 1.030 -2.974 -3.005 1.00 0.47 C ATOM 1433 C GLN A 85 1.200 -1.822 -3.969 1.00 0.52 C ATOM 1434 O GLN A 85 0.386 -1.626 -4.869 1.00 0.83 O ATOM 1435 CB GLN A 85 1.649 -4.238 -3.597 1.00 0.53 C ATOM 1436 CG GLN A 85 0.831 -5.489 -3.337 1.00 0.50 C ATOM 1437 CD GLN A 85 1.652 -6.755 -3.415 1.00 0.64 C ATOM 1438 OE1 GLN A 85 1.812 -7.343 -4.484 1.00 1.10 O ATOM 1439 NE2 GLN A 85 2.152 -7.198 -2.275 1.00 0.72 N ATOM 0 H GLN A 85 -0.825 -3.796 -3.419 1.00 0.44 H new ATOM 0 HA GLN A 85 1.534 -2.732 -2.069 1.00 0.47 H new ATOM 0 HB2 GLN A 85 1.766 -4.107 -4.673 1.00 0.53 H new ATOM 0 HB3 GLN A 85 2.648 -4.373 -3.182 1.00 0.53 H new ATOM 0 HG2 GLN A 85 0.373 -5.419 -2.350 1.00 0.50 H new ATOM 0 HG3 GLN A 85 0.019 -5.543 -4.062 1.00 0.50 H new ATOM 0 HE21 GLN A 85 1.994 -6.677 -1.412 1.00 0.72 H new ATOM 0 HE22 GLN A 85 2.696 -8.061 -2.258 1.00 0.72 H new ATOM 1448 N ARG A 86 2.252 -1.070 -3.771 1.00 0.50 N ATOM 1449 CA ARG A 86 2.599 0.008 -4.667 1.00 0.52 C ATOM 1450 C ARG A 86 3.976 -0.260 -5.252 1.00 0.50 C ATOM 1451 O ARG A 86 4.769 -0.988 -4.652 1.00 0.53 O ATOM 1452 CB ARG A 86 2.520 1.363 -3.947 1.00 0.67 C ATOM 1453 CG ARG A 86 2.848 1.314 -2.463 1.00 0.85 C ATOM 1454 CD ARG A 86 4.343 1.237 -2.200 1.00 0.98 C ATOM 1455 NE ARG A 86 5.066 2.342 -2.828 1.00 1.13 N ATOM 1456 CZ ARG A 86 5.014 3.609 -2.408 1.00 1.24 C ATOM 1457 NH1 ARG A 86 4.295 3.949 -1.344 1.00 1.62 N ATOM 1458 NH2 ARG A 86 5.695 4.545 -3.056 1.00 1.85 N ATOM 0 H ARG A 86 2.893 -1.186 -2.986 1.00 0.50 H new ATOM 0 HA ARG A 86 1.883 0.056 -5.488 1.00 0.52 H new ATOM 0 HB2 ARG A 86 3.204 2.058 -4.434 1.00 0.67 H new ATOM 0 HB3 ARG A 86 1.515 1.766 -4.070 1.00 0.67 H new ATOM 0 HG2 ARG A 86 2.442 2.200 -1.975 1.00 0.85 H new ATOM 0 HG3 ARG A 86 2.358 0.450 -2.014 1.00 0.85 H new ATOM 0 HD2 ARG A 86 4.523 1.250 -1.125 1.00 0.98 H new ATOM 0 HD3 ARG A 86 4.729 0.290 -2.577 1.00 0.98 H new ATOM 0 HE ARG A 86 5.648 2.132 -3.639 1.00 1.13 H new ATOM 0 HH11 ARG A 86 3.771 3.238 -0.834 1.00 1.62 H new ATOM 0 HH12 ARG A 86 4.267 4.921 -1.037 1.00 1.62 H new ATOM 0 HH21 ARG A 86 6.255 4.296 -3.871 1.00 1.85 H new ATOM 0 HH22 ARG A 86 5.658 5.514 -2.739 1.00 1.85 H new ATOM 1472 N PRO A 87 4.272 0.288 -6.436 1.00 0.52 N ATOM 1473 CA PRO A 87 5.494 -0.041 -7.169 1.00 0.52 C ATOM 1474 C PRO A 87 6.759 0.394 -6.441 1.00 0.53 C ATOM 1475 O PRO A 87 6.995 1.586 -6.223 1.00 0.62 O ATOM 1476 CB PRO A 87 5.346 0.719 -8.490 1.00 0.57 C ATOM 1477 CG PRO A 87 4.365 1.803 -8.207 1.00 0.86 C ATOM 1478 CD PRO A 87 3.435 1.259 -7.163 1.00 0.60 C ATOM 0 HA PRO A 87 5.603 -1.118 -7.294 1.00 0.52 H new ATOM 0 HB2 PRO A 87 6.301 1.128 -8.818 1.00 0.57 H new ATOM 0 HB3 PRO A 87 4.990 0.063 -9.284 1.00 0.57 H new ATOM 0 HG2 PRO A 87 4.869 2.701 -7.850 1.00 0.86 H new ATOM 0 HG3 PRO A 87 3.819 2.080 -9.109 1.00 0.86 H new ATOM 0 HD2 PRO A 87 3.066 2.045 -6.504 1.00 0.60 H new ATOM 0 HD3 PRO A 87 2.563 0.783 -7.610 1.00 0.60 H new ATOM 1486 N LEU A 88 7.554 -0.583 -6.039 1.00 0.50 N ATOM 1487 CA LEU A 88 8.861 -0.313 -5.480 1.00 0.53 C ATOM 1488 C LEU A 88 9.919 -0.530 -6.546 1.00 0.44 C ATOM 1489 O LEU A 88 10.130 -1.657 -6.999 1.00 0.42 O ATOM 1490 CB LEU A 88 9.156 -1.217 -4.273 1.00 0.63 C ATOM 1491 CG LEU A 88 8.729 -0.679 -2.900 1.00 0.88 C ATOM 1492 CD1 LEU A 88 9.432 0.630 -2.591 1.00 1.19 C ATOM 1493 CD2 LEU A 88 7.224 -0.502 -2.825 1.00 1.51 C ATOM 0 H LEU A 88 7.313 -1.573 -6.091 1.00 0.50 H new ATOM 0 HA LEU A 88 8.877 0.722 -5.138 1.00 0.53 H new ATOM 0 HB2 LEU A 88 8.661 -2.175 -4.434 1.00 0.63 H new ATOM 0 HB3 LEU A 88 10.228 -1.412 -4.246 1.00 0.63 H new ATOM 0 HG LEU A 88 9.022 -1.414 -2.150 1.00 0.88 H new ATOM 0 HD11 LEU A 88 9.114 0.992 -1.613 1.00 1.19 H new ATOM 0 HD12 LEU A 88 10.510 0.471 -2.586 1.00 1.19 H new ATOM 0 HD13 LEU A 88 9.177 1.368 -3.352 1.00 1.19 H new ATOM 0 HD21 LEU A 88 6.951 -0.120 -1.841 1.00 1.51 H new ATOM 0 HD22 LEU A 88 6.902 0.204 -3.591 1.00 1.51 H new ATOM 0 HD23 LEU A 88 6.736 -1.463 -2.989 1.00 1.51 H new ATOM 1505 N LYS A 89 10.573 0.542 -6.954 1.00 0.44 N ATOM 1506 CA LYS A 89 11.719 0.429 -7.831 1.00 0.42 C ATOM 1507 C LYS A 89 12.953 0.377 -6.975 1.00 0.39 C ATOM 1508 O LYS A 89 13.227 1.305 -6.228 1.00 0.42 O ATOM 1509 CB LYS A 89 11.806 1.591 -8.825 1.00 0.51 C ATOM 1510 CG LYS A 89 10.831 1.476 -9.985 1.00 0.69 C ATOM 1511 CD LYS A 89 9.408 1.795 -9.563 1.00 0.93 C ATOM 1512 CE LYS A 89 9.227 3.282 -9.303 1.00 1.49 C ATOM 1513 NZ LYS A 89 9.552 4.097 -10.504 1.00 2.11 N ATOM 0 H LYS A 89 10.330 1.497 -6.692 1.00 0.44 H new ATOM 0 HA LYS A 89 11.621 -0.479 -8.427 1.00 0.42 H new ATOM 0 HB2 LYS A 89 11.619 2.525 -8.296 1.00 0.51 H new ATOM 0 HB3 LYS A 89 12.821 1.646 -9.219 1.00 0.51 H new ATOM 0 HG2 LYS A 89 11.134 2.155 -10.782 1.00 0.69 H new ATOM 0 HG3 LYS A 89 10.871 0.466 -10.394 1.00 0.69 H new ATOM 0 HD2 LYS A 89 8.715 1.473 -10.341 1.00 0.93 H new ATOM 0 HD3 LYS A 89 9.159 1.234 -8.662 1.00 0.93 H new ATOM 0 HE2 LYS A 89 8.198 3.475 -9.000 1.00 1.49 H new ATOM 0 HE3 LYS A 89 9.866 3.586 -8.474 1.00 1.49 H new ATOM 0 HZ1 LYS A 89 9.227 5.074 -10.359 1.00 2.11 H new ATOM 0 HZ2 LYS A 89 10.581 4.093 -10.658 1.00 2.11 H new ATOM 0 HZ3 LYS A 89 9.076 3.694 -11.336 1.00 2.11 H new ATOM 1527 N ILE A 90 13.685 -0.704 -7.083 1.00 0.36 N ATOM 1528 CA ILE A 90 14.776 -0.975 -6.168 1.00 0.33 C ATOM 1529 C ILE A 90 16.058 -1.211 -6.939 1.00 0.35 C ATOM 1530 O ILE A 90 16.067 -1.969 -7.908 1.00 0.36 O ATOM 1531 CB ILE A 90 14.474 -2.208 -5.285 1.00 0.32 C ATOM 1532 CG1 ILE A 90 13.191 -1.995 -4.476 1.00 0.35 C ATOM 1533 CG2 ILE A 90 15.647 -2.514 -4.363 1.00 0.33 C ATOM 1534 CD1 ILE A 90 13.255 -0.825 -3.514 1.00 0.36 C ATOM 0 H ILE A 90 13.547 -1.417 -7.799 1.00 0.36 H new ATOM 0 HA ILE A 90 14.891 -0.105 -5.522 1.00 0.33 H new ATOM 0 HB ILE A 90 14.325 -3.066 -5.941 1.00 0.32 H new ATOM 0 HG12 ILE A 90 12.361 -1.840 -5.165 1.00 0.35 H new ATOM 0 HG13 ILE A 90 12.974 -2.903 -3.914 1.00 0.35 H new ATOM 0 HG21 ILE A 90 15.412 -3.385 -3.752 1.00 0.33 H new ATOM 0 HG22 ILE A 90 16.535 -2.719 -4.960 1.00 0.33 H new ATOM 0 HG23 ILE A 90 15.835 -1.657 -3.716 1.00 0.33 H new ATOM 0 HD11 ILE A 90 12.309 -0.741 -2.980 1.00 0.36 H new ATOM 0 HD12 ILE A 90 14.062 -0.985 -2.799 1.00 0.36 H new ATOM 0 HD13 ILE A 90 13.440 0.094 -4.070 1.00 0.36 H new ATOM 1546 N ARG A 91 17.134 -0.565 -6.524 1.00 0.38 N ATOM 1547 CA ARG A 91 18.424 -0.786 -7.141 1.00 0.43 C ATOM 1548 C ARG A 91 19.285 -1.633 -6.212 1.00 0.42 C ATOM 1549 O ARG A 91 19.501 -1.279 -5.048 1.00 0.44 O ATOM 1550 CB ARG A 91 19.118 0.543 -7.442 1.00 0.52 C ATOM 1551 CG ARG A 91 20.374 0.386 -8.288 1.00 0.57 C ATOM 1552 CD ARG A 91 21.032 1.726 -8.565 1.00 0.74 C ATOM 1553 NE ARG A 91 20.176 2.603 -9.357 1.00 0.72 N ATOM 1554 CZ ARG A 91 20.317 3.925 -9.424 1.00 1.09 C ATOM 1555 NH1 ARG A 91 21.295 4.536 -8.765 1.00 1.82 N ATOM 1556 NH2 ARG A 91 19.480 4.632 -10.167 1.00 1.12 N ATOM 0 H ARG A 91 17.137 0.115 -5.764 1.00 0.38 H new ATOM 0 HA ARG A 91 18.281 -1.310 -8.086 1.00 0.43 H new ATOM 0 HB2 ARG A 91 18.420 1.201 -7.959 1.00 0.52 H new ATOM 0 HB3 ARG A 91 19.379 1.030 -6.502 1.00 0.52 H new ATOM 0 HG2 ARG A 91 21.080 -0.267 -7.775 1.00 0.57 H new ATOM 0 HG3 ARG A 91 20.120 -0.097 -9.231 1.00 0.57 H new ATOM 0 HD2 ARG A 91 21.274 2.213 -7.620 1.00 0.74 H new ATOM 0 HD3 ARG A 91 21.973 1.566 -9.092 1.00 0.74 H new ATOM 0 HE ARG A 91 19.421 2.176 -9.894 1.00 0.72 H new ATOM 0 HH11 ARG A 91 21.947 3.992 -8.201 1.00 1.82 H new ATOM 0 HH12 ARG A 91 21.394 5.550 -8.823 1.00 1.82 H new ATOM 0 HH21 ARG A 91 18.735 4.163 -10.682 1.00 1.12 H new ATOM 0 HH22 ARG A 91 19.580 5.645 -10.224 1.00 1.12 H new ATOM 1570 N MET A 92 19.738 -2.763 -6.726 1.00 0.42 N ATOM 1571 CA MET A 92 20.539 -3.711 -5.966 1.00 0.44 C ATOM 1572 C MET A 92 22.011 -3.317 -5.958 1.00 0.48 C ATOM 1573 O MET A 92 22.429 -2.443 -6.722 1.00 0.51 O ATOM 1574 CB MET A 92 20.375 -5.104 -6.577 1.00 0.46 C ATOM 1575 CG MET A 92 19.331 -5.974 -5.892 1.00 0.57 C ATOM 1576 SD MET A 92 17.827 -5.087 -5.450 1.00 1.04 S ATOM 1577 CE MET A 92 17.174 -4.719 -7.070 1.00 0.34 C ATOM 0 H MET A 92 19.560 -3.052 -7.688 1.00 0.42 H new ATOM 0 HA MET A 92 20.191 -3.710 -4.933 1.00 0.44 H new ATOM 0 HB2 MET A 92 20.107 -4.997 -7.628 1.00 0.46 H new ATOM 0 HB3 MET A 92 21.336 -5.617 -6.544 1.00 0.46 H new ATOM 0 HG2 MET A 92 19.073 -6.803 -6.551 1.00 0.57 H new ATOM 0 HG3 MET A 92 19.766 -6.406 -4.991 1.00 0.57 H new ATOM 0 HE1 MET A 92 16.154 -4.347 -6.975 1.00 0.34 H new ATOM 0 HE2 MET A 92 17.794 -3.961 -7.549 1.00 0.34 H new ATOM 0 HE3 MET A 92 17.175 -5.624 -7.677 1.00 0.34 H new ATOM 1587 N LEU A 93 22.792 -4.008 -5.124 1.00 0.49 N ATOM 1588 CA LEU A 93 24.204 -3.678 -4.900 1.00 0.55 C ATOM 1589 C LEU A 93 25.004 -3.819 -6.190 1.00 0.61 C ATOM 1590 O LEU A 93 25.990 -3.112 -6.412 1.00 0.69 O ATOM 1591 CB LEU A 93 24.828 -4.586 -3.824 1.00 0.57 C ATOM 1592 CG LEU A 93 24.158 -4.586 -2.439 1.00 0.57 C ATOM 1593 CD1 LEU A 93 23.753 -3.179 -2.022 1.00 0.68 C ATOM 1594 CD2 LEU A 93 22.963 -5.530 -2.405 1.00 0.79 C ATOM 0 H LEU A 93 22.466 -4.810 -4.586 1.00 0.49 H new ATOM 0 HA LEU A 93 24.241 -2.644 -4.558 1.00 0.55 H new ATOM 0 HB2 LEU A 93 24.827 -5.609 -4.201 1.00 0.57 H new ATOM 0 HB3 LEU A 93 25.870 -4.294 -3.697 1.00 0.57 H new ATOM 0 HG LEU A 93 24.891 -4.949 -1.719 1.00 0.57 H new ATOM 0 HD11 LEU A 93 23.282 -3.212 -1.039 1.00 0.68 H new ATOM 0 HD12 LEU A 93 24.637 -2.543 -1.980 1.00 0.68 H new ATOM 0 HD13 LEU A 93 23.049 -2.773 -2.748 1.00 0.68 H new ATOM 0 HD21 LEU A 93 22.510 -5.508 -1.414 1.00 0.79 H new ATOM 0 HD22 LEU A 93 22.229 -5.214 -3.146 1.00 0.79 H new ATOM 0 HD23 LEU A 93 23.294 -6.544 -2.631 1.00 0.79 H new ATOM 1606 N ASP A 94 24.571 -4.743 -7.035 1.00 0.61 N ATOM 1607 CA ASP A 94 25.183 -4.950 -8.343 1.00 0.69 C ATOM 1608 C ASP A 94 25.014 -3.707 -9.221 1.00 0.66 C ATOM 1609 O ASP A 94 25.721 -3.521 -10.212 1.00 0.70 O ATOM 1610 CB ASP A 94 24.548 -6.174 -9.011 1.00 0.76 C ATOM 1611 CG ASP A 94 25.089 -6.454 -10.397 1.00 1.47 C ATOM 1612 OD1 ASP A 94 26.239 -6.932 -10.498 1.00 2.26 O ATOM 1613 OD2 ASP A 94 24.382 -6.164 -11.386 1.00 1.93 O ATOM 0 H ASP A 94 23.790 -5.368 -6.837 1.00 0.61 H new ATOM 0 HA ASP A 94 26.251 -5.125 -8.215 1.00 0.69 H new ATOM 0 HB2 ASP A 94 24.713 -7.048 -8.382 1.00 0.76 H new ATOM 0 HB3 ASP A 94 23.470 -6.026 -9.073 1.00 0.76 H new ATOM 1618 N GLY A 95 24.080 -2.849 -8.833 1.00 0.61 N ATOM 1619 CA GLY A 95 23.810 -1.642 -9.587 1.00 0.61 C ATOM 1620 C GLY A 95 22.637 -1.842 -10.511 1.00 0.58 C ATOM 1621 O GLY A 95 22.364 -1.021 -11.388 1.00 0.64 O ATOM 0 H GLY A 95 23.500 -2.970 -8.002 1.00 0.61 H new ATOM 0 HA2 GLY A 95 23.604 -0.819 -8.903 1.00 0.61 H new ATOM 0 HA3 GLY A 95 24.691 -1.364 -10.165 1.00 0.61 H new ATOM 1625 N THR A 96 21.934 -2.937 -10.289 1.00 0.54 N ATOM 1626 CA THR A 96 20.840 -3.344 -11.147 1.00 0.54 C ATOM 1627 C THR A 96 19.507 -3.036 -10.483 1.00 0.47 C ATOM 1628 O THR A 96 19.332 -3.273 -9.290 1.00 0.47 O ATOM 1629 CB THR A 96 20.952 -4.848 -11.475 1.00 0.62 C ATOM 1630 OG1 THR A 96 22.110 -5.071 -12.293 1.00 0.81 O ATOM 1631 CG2 THR A 96 19.711 -5.367 -12.188 1.00 0.61 C ATOM 0 H THR A 96 22.107 -3.569 -9.507 1.00 0.54 H new ATOM 0 HA THR A 96 20.896 -2.783 -12.080 1.00 0.54 H new ATOM 0 HB THR A 96 21.044 -5.392 -10.535 1.00 0.62 H new ATOM 0 HG1 THR A 96 22.854 -5.372 -11.731 1.00 0.81 H new ATOM 0 HG21 THR A 96 19.831 -6.429 -12.401 1.00 0.61 H new ATOM 0 HG22 THR A 96 18.838 -5.221 -11.552 1.00 0.61 H new ATOM 0 HG23 THR A 96 19.574 -4.823 -13.123 1.00 0.61 H new ATOM 1639 N VAL A 97 18.574 -2.508 -11.254 1.00 0.45 N ATOM 1640 CA VAL A 97 17.304 -2.071 -10.707 1.00 0.41 C ATOM 1641 C VAL A 97 16.168 -2.992 -11.151 1.00 0.38 C ATOM 1642 O VAL A 97 16.139 -3.473 -12.286 1.00 0.41 O ATOM 1643 CB VAL A 97 17.000 -0.601 -11.102 1.00 0.50 C ATOM 1644 CG1 VAL A 97 16.985 -0.428 -12.608 1.00 1.07 C ATOM 1645 CG2 VAL A 97 15.685 -0.124 -10.499 1.00 1.11 C ATOM 0 H VAL A 97 18.672 -2.372 -12.260 1.00 0.45 H new ATOM 0 HA VAL A 97 17.379 -2.122 -9.621 1.00 0.41 H new ATOM 0 HB VAL A 97 17.802 0.015 -10.696 1.00 0.50 H new ATOM 0 HG11 VAL A 97 16.769 0.612 -12.853 1.00 1.07 H new ATOM 0 HG12 VAL A 97 17.958 -0.702 -13.015 1.00 1.07 H new ATOM 0 HG13 VAL A 97 16.217 -1.069 -13.040 1.00 1.07 H new ATOM 0 HG21 VAL A 97 15.502 0.909 -10.795 1.00 1.11 H new ATOM 0 HG22 VAL A 97 14.871 -0.754 -10.858 1.00 1.11 H new ATOM 0 HG23 VAL A 97 15.740 -0.186 -9.412 1.00 1.11 H new ATOM 1655 N LYS A 98 15.255 -3.247 -10.231 1.00 0.35 N ATOM 1656 CA LYS A 98 14.065 -4.032 -10.525 1.00 0.35 C ATOM 1657 C LYS A 98 12.866 -3.419 -9.826 1.00 0.36 C ATOM 1658 O LYS A 98 13.017 -2.650 -8.878 1.00 0.37 O ATOM 1659 CB LYS A 98 14.218 -5.497 -10.104 1.00 0.38 C ATOM 1660 CG LYS A 98 14.233 -5.718 -8.601 1.00 0.41 C ATOM 1661 CD LYS A 98 13.918 -7.164 -8.258 1.00 0.43 C ATOM 1662 CE LYS A 98 12.464 -7.505 -8.548 1.00 0.43 C ATOM 1663 NZ LYS A 98 11.539 -6.745 -7.692 1.00 0.94 N ATOM 0 H LYS A 98 15.314 -2.920 -9.267 1.00 0.35 H new ATOM 0 HA LYS A 98 13.919 -4.017 -11.605 1.00 0.35 H new ATOM 0 HB2 LYS A 98 13.400 -6.074 -10.536 1.00 0.38 H new ATOM 0 HB3 LYS A 98 15.143 -5.889 -10.526 1.00 0.38 H new ATOM 0 HG2 LYS A 98 15.211 -5.451 -8.201 1.00 0.41 H new ATOM 0 HG3 LYS A 98 13.504 -5.061 -8.126 1.00 0.41 H new ATOM 0 HD2 LYS A 98 14.568 -7.824 -8.831 1.00 0.43 H new ATOM 0 HD3 LYS A 98 14.131 -7.343 -7.204 1.00 0.43 H new ATOM 0 HE2 LYS A 98 12.244 -7.296 -9.595 1.00 0.43 H new ATOM 0 HE3 LYS A 98 12.305 -8.573 -8.396 1.00 0.43 H new ATOM 0 HZ1 LYS A 98 10.558 -6.982 -7.945 1.00 0.94 H new ATOM 0 HZ2 LYS A 98 11.708 -6.989 -6.695 1.00 0.94 H new ATOM 0 HZ3 LYS A 98 11.696 -5.726 -7.830 1.00 0.94 H new ATOM 1677 N THR A 99 11.682 -3.762 -10.284 1.00 0.40 N ATOM 1678 CA THR A 99 10.464 -3.286 -9.669 1.00 0.44 C ATOM 1679 C THR A 99 9.714 -4.444 -9.028 1.00 0.47 C ATOM 1680 O THR A 99 9.570 -5.502 -9.635 1.00 0.58 O ATOM 1681 CB THR A 99 9.559 -2.609 -10.712 1.00 0.48 C ATOM 1682 OG1 THR A 99 10.213 -1.454 -11.256 1.00 0.50 O ATOM 1683 CG2 THR A 99 8.233 -2.216 -10.091 1.00 0.57 C ATOM 0 H THR A 99 11.537 -4.374 -11.087 1.00 0.40 H new ATOM 0 HA THR A 99 10.731 -2.557 -8.904 1.00 0.44 H new ATOM 0 HB THR A 99 9.366 -3.318 -11.517 1.00 0.48 H new ATOM 0 HG1 THR A 99 9.630 -1.031 -11.920 1.00 0.50 H new ATOM 0 HG21 THR A 99 7.606 -1.738 -10.844 1.00 0.57 H new ATOM 0 HG22 THR A 99 7.731 -3.106 -9.712 1.00 0.57 H new ATOM 0 HG23 THR A 99 8.408 -1.521 -9.270 1.00 0.57 H new ATOM 1691 N ILE A 100 9.280 -4.272 -7.788 1.00 0.42 N ATOM 1692 CA ILE A 100 8.467 -5.276 -7.126 1.00 0.44 C ATOM 1693 C ILE A 100 7.271 -4.591 -6.467 1.00 0.45 C ATOM 1694 O ILE A 100 7.376 -3.441 -6.033 1.00 0.45 O ATOM 1695 CB ILE A 100 9.297 -6.069 -6.079 1.00 0.48 C ATOM 1696 CG1 ILE A 100 8.539 -7.308 -5.572 1.00 0.61 C ATOM 1697 CG2 ILE A 100 9.728 -5.171 -4.925 1.00 0.48 C ATOM 1698 CD1 ILE A 100 7.748 -7.095 -4.301 1.00 0.50 C ATOM 0 H ILE A 100 9.478 -3.447 -7.222 1.00 0.42 H new ATOM 0 HA ILE A 100 8.112 -5.994 -7.866 1.00 0.44 H new ATOM 0 HB ILE A 100 10.198 -6.425 -6.579 1.00 0.48 H new ATOM 0 HG12 ILE A 100 7.858 -7.645 -6.354 1.00 0.61 H new ATOM 0 HG13 ILE A 100 9.256 -8.112 -5.406 1.00 0.61 H new ATOM 0 HG21 ILE A 100 10.307 -5.753 -4.208 1.00 0.48 H new ATOM 0 HG22 ILE A 100 10.340 -4.355 -5.308 1.00 0.48 H new ATOM 0 HG23 ILE A 100 8.845 -4.763 -4.433 1.00 0.48 H new ATOM 0 HD11 ILE A 100 7.249 -8.023 -4.023 1.00 0.50 H new ATOM 0 HD12 ILE A 100 8.422 -6.791 -3.500 1.00 0.50 H new ATOM 0 HD13 ILE A 100 7.002 -6.317 -4.463 1.00 0.50 H new ATOM 1710 N MET A 101 6.135 -5.262 -6.424 1.00 0.47 N ATOM 1711 CA MET A 101 4.961 -4.689 -5.789 1.00 0.50 C ATOM 1712 C MET A 101 4.896 -5.102 -4.332 1.00 0.50 C ATOM 1713 O MET A 101 4.716 -6.275 -4.006 1.00 0.52 O ATOM 1714 CB MET A 101 3.697 -5.142 -6.517 1.00 0.56 C ATOM 1715 CG MET A 101 3.655 -4.733 -7.980 1.00 0.64 C ATOM 1716 SD MET A 101 3.707 -2.946 -8.208 1.00 0.98 S ATOM 1717 CE MET A 101 2.236 -2.452 -7.315 1.00 0.59 C ATOM 0 H MET A 101 6.000 -6.194 -6.816 1.00 0.47 H new ATOM 0 HA MET A 101 5.031 -3.603 -5.842 1.00 0.50 H new ATOM 0 HB2 MET A 101 3.619 -6.227 -6.450 1.00 0.56 H new ATOM 0 HB3 MET A 101 2.827 -4.728 -6.008 1.00 0.56 H new ATOM 0 HG2 MET A 101 4.497 -5.186 -8.503 1.00 0.64 H new ATOM 0 HG3 MET A 101 2.747 -5.127 -8.437 1.00 0.64 H new ATOM 0 HE1 MET A 101 1.568 -1.910 -7.985 1.00 0.59 H new ATOM 0 HE2 MET A 101 1.727 -3.337 -6.934 1.00 0.59 H new ATOM 0 HE3 MET A 101 2.516 -1.807 -6.482 1.00 0.59 H new ATOM 1727 N VAL A 102 5.059 -4.121 -3.459 1.00 0.50 N ATOM 1728 CA VAL A 102 5.037 -4.364 -2.025 1.00 0.53 C ATOM 1729 C VAL A 102 3.955 -3.533 -1.360 1.00 0.49 C ATOM 1730 O VAL A 102 3.765 -2.362 -1.700 1.00 0.50 O ATOM 1731 CB VAL A 102 6.388 -4.044 -1.359 1.00 0.61 C ATOM 1732 CG1 VAL A 102 6.685 -5.053 -0.268 1.00 0.73 C ATOM 1733 CG2 VAL A 102 7.515 -4.004 -2.377 1.00 0.90 C ATOM 0 H VAL A 102 5.208 -3.146 -3.719 1.00 0.50 H new ATOM 0 HA VAL A 102 4.830 -5.426 -1.892 1.00 0.53 H new ATOM 0 HB VAL A 102 6.317 -3.053 -0.911 1.00 0.61 H new ATOM 0 HG11 VAL A 102 7.643 -4.816 0.196 1.00 0.73 H new ATOM 0 HG12 VAL A 102 5.898 -5.016 0.486 1.00 0.73 H new ATOM 0 HG13 VAL A 102 6.728 -6.053 -0.699 1.00 0.73 H new ATOM 0 HG21 VAL A 102 8.454 -3.776 -1.872 1.00 0.90 H new ATOM 0 HG22 VAL A 102 7.595 -4.973 -2.870 1.00 0.90 H new ATOM 0 HG23 VAL A 102 7.307 -3.235 -3.121 1.00 0.90 H new ATOM 1743 N ASP A 103 3.236 -4.158 -0.434 1.00 0.48 N ATOM 1744 CA ASP A 103 2.126 -3.519 0.270 1.00 0.47 C ATOM 1745 C ASP A 103 2.535 -2.196 0.899 1.00 0.46 C ATOM 1746 O ASP A 103 3.586 -2.090 1.534 1.00 0.51 O ATOM 1747 CB ASP A 103 1.581 -4.439 1.362 1.00 0.51 C ATOM 1748 CG ASP A 103 1.056 -5.746 0.826 1.00 1.22 C ATOM 1749 OD1 ASP A 103 1.866 -6.542 0.309 1.00 1.96 O ATOM 1750 OD2 ASP A 103 -0.163 -5.990 0.938 1.00 1.56 O ATOM 0 H ASP A 103 3.405 -5.123 -0.149 1.00 0.48 H new ATOM 0 HA ASP A 103 1.353 -3.324 -0.474 1.00 0.47 H new ATOM 0 HB2 ASP A 103 2.370 -4.641 2.086 1.00 0.51 H new ATOM 0 HB3 ASP A 103 0.782 -3.925 1.896 1.00 0.51 H new ATOM 1755 N ASP A 104 1.693 -1.195 0.715 1.00 0.46 N ATOM 1756 CA ASP A 104 1.890 0.103 1.342 1.00 0.47 C ATOM 1757 C ASP A 104 1.284 0.078 2.739 1.00 0.46 C ATOM 1758 O ASP A 104 1.538 0.952 3.573 1.00 0.54 O ATOM 1759 CB ASP A 104 1.229 1.195 0.495 1.00 0.54 C ATOM 1760 CG ASP A 104 1.541 2.600 0.976 1.00 0.66 C ATOM 1761 OD1 ASP A 104 2.600 3.144 0.592 1.00 1.08 O ATOM 1762 OD2 ASP A 104 0.738 3.151 1.760 1.00 0.64 O ATOM 0 H ASP A 104 0.859 -1.256 0.131 1.00 0.46 H new ATOM 0 HA ASP A 104 2.956 0.319 1.416 1.00 0.47 H new ATOM 0 HB2 ASP A 104 1.557 1.091 -0.539 1.00 0.54 H new ATOM 0 HB3 ASP A 104 0.149 1.047 0.503 1.00 0.54 H new ATOM 1767 N SER A 105 0.497 -0.959 2.994 1.00 0.43 N ATOM 1768 CA SER A 105 -0.211 -1.105 4.255 1.00 0.49 C ATOM 1769 C SER A 105 0.660 -1.718 5.362 1.00 0.57 C ATOM 1770 O SER A 105 0.140 -2.149 6.391 1.00 0.96 O ATOM 1771 CB SER A 105 -1.450 -1.964 4.014 1.00 0.52 C ATOM 1772 OG SER A 105 -1.184 -2.955 3.034 1.00 1.27 O ATOM 0 H SER A 105 0.333 -1.719 2.334 1.00 0.43 H new ATOM 0 HA SER A 105 -0.491 -0.112 4.606 1.00 0.49 H new ATOM 0 HB2 SER A 105 -1.758 -2.439 4.946 1.00 0.52 H new ATOM 0 HB3 SER A 105 -2.278 -1.335 3.688 1.00 0.52 H new ATOM 0 HG SER A 105 -1.553 -3.814 3.329 1.00 1.27 H new ATOM 1778 N LYS A 106 1.977 -1.739 5.171 1.00 0.45 N ATOM 1779 CA LYS A 106 2.873 -2.326 6.166 1.00 0.49 C ATOM 1780 C LYS A 106 4.228 -1.621 6.201 1.00 0.52 C ATOM 1781 O LYS A 106 4.459 -0.663 5.464 1.00 0.65 O ATOM 1782 CB LYS A 106 3.035 -3.831 5.919 1.00 0.58 C ATOM 1783 CG LYS A 106 3.237 -4.215 4.462 1.00 0.69 C ATOM 1784 CD LYS A 106 4.688 -4.144 4.032 1.00 0.58 C ATOM 1785 CE LYS A 106 4.875 -4.789 2.669 1.00 1.00 C ATOM 1786 NZ LYS A 106 4.370 -6.192 2.642 1.00 2.02 N ATOM 0 H LYS A 106 2.444 -1.361 4.347 1.00 0.45 H new ATOM 0 HA LYS A 106 2.418 -2.184 7.146 1.00 0.49 H new ATOM 0 HB2 LYS A 106 3.886 -4.191 6.497 1.00 0.58 H new ATOM 0 HB3 LYS A 106 2.152 -4.345 6.298 1.00 0.58 H new ATOM 0 HG2 LYS A 106 2.865 -5.227 4.303 1.00 0.69 H new ATOM 0 HG3 LYS A 106 2.643 -3.554 3.831 1.00 0.69 H new ATOM 0 HD2 LYS A 106 5.011 -3.104 3.995 1.00 0.58 H new ATOM 0 HD3 LYS A 106 5.316 -4.647 4.767 1.00 0.58 H new ATOM 0 HE2 LYS A 106 4.352 -4.201 1.915 1.00 1.00 H new ATOM 0 HE3 LYS A 106 5.932 -4.779 2.405 1.00 1.00 H new ATOM 0 HZ1 LYS A 106 4.816 -6.706 1.856 1.00 2.02 H new ATOM 0 HZ2 LYS A 106 4.603 -6.662 3.540 1.00 2.02 H new ATOM 0 HZ3 LYS A 106 3.338 -6.187 2.512 1.00 2.02 H new ATOM 1800 N THR A 107 5.112 -2.104 7.067 1.00 0.53 N ATOM 1801 CA THR A 107 6.398 -1.464 7.297 1.00 0.57 C ATOM 1802 C THR A 107 7.435 -1.870 6.251 1.00 0.52 C ATOM 1803 O THR A 107 7.176 -2.699 5.377 1.00 0.54 O ATOM 1804 CB THR A 107 6.936 -1.806 8.697 1.00 0.69 C ATOM 1805 OG1 THR A 107 6.919 -3.225 8.890 1.00 0.76 O ATOM 1806 CG2 THR A 107 6.110 -1.126 9.778 1.00 0.74 C ATOM 0 H THR A 107 4.957 -2.944 7.625 1.00 0.53 H new ATOM 0 HA THR A 107 6.231 -0.390 7.219 1.00 0.57 H new ATOM 0 HB THR A 107 7.961 -1.442 8.770 1.00 0.69 H new ATOM 0 HG1 THR A 107 7.264 -3.438 9.782 1.00 0.76 H new ATOM 0 HG21 THR A 107 6.511 -1.384 10.758 1.00 0.74 H new ATOM 0 HG22 THR A 107 6.151 -0.045 9.642 1.00 0.74 H new ATOM 0 HG23 THR A 107 5.075 -1.461 9.710 1.00 0.74 H new ATOM 1814 N VAL A 108 8.626 -1.297 6.369 1.00 0.49 N ATOM 1815 CA VAL A 108 9.672 -1.507 5.380 1.00 0.47 C ATOM 1816 C VAL A 108 10.404 -2.819 5.621 1.00 0.42 C ATOM 1817 O VAL A 108 10.905 -3.431 4.689 1.00 0.44 O ATOM 1818 CB VAL A 108 10.692 -0.357 5.383 1.00 0.55 C ATOM 1819 CG1 VAL A 108 11.533 -0.370 4.116 1.00 0.61 C ATOM 1820 CG2 VAL A 108 9.993 0.982 5.566 1.00 0.60 C ATOM 0 H VAL A 108 8.890 -0.684 7.140 1.00 0.49 H new ATOM 0 HA VAL A 108 9.180 -1.542 4.408 1.00 0.47 H new ATOM 0 HB VAL A 108 11.365 -0.503 6.228 1.00 0.55 H new ATOM 0 HG11 VAL A 108 12.246 0.454 4.144 1.00 0.61 H new ATOM 0 HG12 VAL A 108 12.072 -1.315 4.047 1.00 0.61 H new ATOM 0 HG13 VAL A 108 10.884 -0.259 3.247 1.00 0.61 H new ATOM 0 HG21 VAL A 108 10.733 1.782 5.565 1.00 0.60 H new ATOM 0 HG22 VAL A 108 9.288 1.139 4.750 1.00 0.60 H new ATOM 0 HG23 VAL A 108 9.456 0.986 6.515 1.00 0.60 H new ATOM 1830 N THR A 109 10.519 -3.217 6.879 1.00 0.43 N ATOM 1831 CA THR A 109 11.094 -4.516 7.221 1.00 0.43 C ATOM 1832 C THR A 109 10.402 -5.647 6.460 1.00 0.44 C ATOM 1833 O THR A 109 11.061 -6.471 5.820 1.00 0.45 O ATOM 1834 CB THR A 109 10.990 -4.776 8.729 1.00 0.51 C ATOM 1835 OG1 THR A 109 11.437 -3.613 9.437 1.00 0.56 O ATOM 1836 CG2 THR A 109 11.827 -5.980 9.132 1.00 0.56 C ATOM 0 H THR A 109 10.223 -2.662 7.682 1.00 0.43 H new ATOM 0 HA THR A 109 12.145 -4.493 6.932 1.00 0.43 H new ATOM 0 HB THR A 109 9.950 -4.988 8.979 1.00 0.51 H new ATOM 0 HG1 THR A 109 11.371 -3.772 10.402 1.00 0.56 H new ATOM 0 HG21 THR A 109 11.736 -6.143 10.206 1.00 0.56 H new ATOM 0 HG22 THR A 109 11.474 -6.863 8.600 1.00 0.56 H new ATOM 0 HG23 THR A 109 12.872 -5.798 8.880 1.00 0.56 H new ATOM 1844 N ASP A 110 9.074 -5.658 6.507 1.00 0.47 N ATOM 1845 CA ASP A 110 8.289 -6.661 5.795 1.00 0.51 C ATOM 1846 C ASP A 110 8.476 -6.489 4.292 1.00 0.49 C ATOM 1847 O ASP A 110 8.572 -7.460 3.537 1.00 0.54 O ATOM 1848 CB ASP A 110 6.808 -6.518 6.160 1.00 0.57 C ATOM 1849 CG ASP A 110 5.959 -7.652 5.622 1.00 0.65 C ATOM 1850 OD1 ASP A 110 5.592 -7.614 4.433 1.00 0.70 O ATOM 1851 OD2 ASP A 110 5.636 -8.574 6.398 1.00 0.76 O ATOM 0 H ASP A 110 8.518 -4.983 7.031 1.00 0.47 H new ATOM 0 HA ASP A 110 8.630 -7.655 6.084 1.00 0.51 H new ATOM 0 HB2 ASP A 110 6.708 -6.478 7.245 1.00 0.57 H new ATOM 0 HB3 ASP A 110 6.432 -5.572 5.770 1.00 0.57 H new ATOM 1856 N MET A 111 8.550 -5.231 3.878 1.00 0.46 N ATOM 1857 CA MET A 111 8.785 -4.877 2.486 1.00 0.46 C ATOM 1858 C MET A 111 10.106 -5.449 1.988 1.00 0.40 C ATOM 1859 O MET A 111 10.154 -6.111 0.954 1.00 0.43 O ATOM 1860 CB MET A 111 8.813 -3.357 2.345 1.00 0.51 C ATOM 1861 CG MET A 111 9.089 -2.866 0.935 1.00 0.50 C ATOM 1862 SD MET A 111 9.565 -1.129 0.899 1.00 0.75 S ATOM 1863 CE MET A 111 8.351 -0.447 2.016 1.00 0.67 C ATOM 0 H MET A 111 8.449 -4.428 4.498 1.00 0.46 H new ATOM 0 HA MET A 111 7.977 -5.297 1.887 1.00 0.46 H new ATOM 0 HB2 MET A 111 7.855 -2.955 2.676 1.00 0.51 H new ATOM 0 HB3 MET A 111 9.575 -2.956 3.013 1.00 0.51 H new ATOM 0 HG2 MET A 111 9.883 -3.467 0.492 1.00 0.50 H new ATOM 0 HG3 MET A 111 8.200 -3.010 0.322 1.00 0.50 H new ATOM 0 HE1 MET A 111 7.898 0.436 1.566 1.00 0.67 H new ATOM 0 HE2 MET A 111 7.579 -1.191 2.213 1.00 0.67 H new ATOM 0 HE3 MET A 111 8.834 -0.169 2.953 1.00 0.67 H new ATOM 1873 N LEU A 112 11.169 -5.200 2.739 1.00 0.36 N ATOM 1874 CA LEU A 112 12.509 -5.604 2.338 1.00 0.34 C ATOM 1875 C LEU A 112 12.617 -7.118 2.275 1.00 0.37 C ATOM 1876 O LEU A 112 13.291 -7.664 1.404 1.00 0.42 O ATOM 1877 CB LEU A 112 13.545 -5.048 3.311 1.00 0.35 C ATOM 1878 CG LEU A 112 14.867 -4.654 2.666 1.00 0.38 C ATOM 1879 CD1 LEU A 112 14.658 -3.469 1.740 1.00 0.39 C ATOM 1880 CD2 LEU A 112 15.902 -4.325 3.723 1.00 0.46 C ATOM 0 H LEU A 112 11.128 -4.716 3.636 1.00 0.36 H new ATOM 0 HA LEU A 112 12.703 -5.200 1.345 1.00 0.34 H new ATOM 0 HB2 LEU A 112 13.124 -4.175 3.811 1.00 0.35 H new ATOM 0 HB3 LEU A 112 13.739 -5.794 4.082 1.00 0.35 H new ATOM 0 HG LEU A 112 15.236 -5.498 2.082 1.00 0.38 H new ATOM 0 HD11 LEU A 112 15.608 -3.193 1.282 1.00 0.39 H new ATOM 0 HD12 LEU A 112 13.944 -3.737 0.961 1.00 0.39 H new ATOM 0 HD13 LEU A 112 14.271 -2.625 2.311 1.00 0.39 H new ATOM 0 HD21 LEU A 112 16.839 -4.046 3.241 1.00 0.46 H new ATOM 0 HD22 LEU A 112 15.547 -3.495 4.334 1.00 0.46 H new ATOM 0 HD23 LEU A 112 16.065 -5.197 4.356 1.00 0.46 H new ATOM 1892 N MET A 113 11.937 -7.786 3.200 1.00 0.39 N ATOM 1893 CA MET A 113 11.857 -9.243 3.201 1.00 0.46 C ATOM 1894 C MET A 113 11.308 -9.732 1.870 1.00 0.49 C ATOM 1895 O MET A 113 11.738 -10.746 1.329 1.00 0.56 O ATOM 1896 CB MET A 113 10.941 -9.706 4.331 1.00 0.55 C ATOM 1897 CG MET A 113 10.811 -11.217 4.439 1.00 0.61 C ATOM 1898 SD MET A 113 9.672 -11.723 5.741 1.00 0.98 S ATOM 1899 CE MET A 113 8.183 -10.858 5.244 1.00 1.34 C ATOM 0 H MET A 113 11.430 -7.339 3.964 1.00 0.39 H new ATOM 0 HA MET A 113 12.855 -9.654 3.351 1.00 0.46 H new ATOM 0 HB2 MET A 113 11.320 -9.315 5.276 1.00 0.55 H new ATOM 0 HB3 MET A 113 9.951 -9.276 4.182 1.00 0.55 H new ATOM 0 HG2 MET A 113 10.468 -11.618 3.485 1.00 0.61 H new ATOM 0 HG3 MET A 113 11.793 -11.650 4.632 1.00 0.61 H new ATOM 0 HE1 MET A 113 7.309 -11.442 5.532 1.00 1.34 H new ATOM 0 HE2 MET A 113 8.147 -9.885 5.734 1.00 1.34 H new ATOM 0 HE3 MET A 113 8.186 -10.720 4.163 1.00 1.34 H new ATOM 1909 N THR A 114 10.364 -8.975 1.351 1.00 0.47 N ATOM 1910 CA THR A 114 9.720 -9.291 0.097 1.00 0.50 C ATOM 1911 C THR A 114 10.612 -8.912 -1.093 1.00 0.46 C ATOM 1912 O THR A 114 10.631 -9.609 -2.110 1.00 0.49 O ATOM 1913 CB THR A 114 8.370 -8.557 0.005 1.00 0.54 C ATOM 1914 OG1 THR A 114 7.513 -8.968 1.082 1.00 0.62 O ATOM 1915 CG2 THR A 114 7.680 -8.822 -1.325 1.00 0.60 C ATOM 0 H THR A 114 10.022 -8.120 1.790 1.00 0.47 H new ATOM 0 HA THR A 114 9.549 -10.367 0.059 1.00 0.50 H new ATOM 0 HB THR A 114 8.568 -7.488 0.079 1.00 0.54 H new ATOM 0 HG1 THR A 114 7.793 -8.525 1.910 1.00 0.62 H new ATOM 0 HG21 THR A 114 6.730 -8.288 -1.355 1.00 0.60 H new ATOM 0 HG22 THR A 114 8.316 -8.477 -2.140 1.00 0.60 H new ATOM 0 HG23 THR A 114 7.499 -9.891 -1.434 1.00 0.60 H new ATOM 1923 N ILE A 115 11.367 -7.823 -0.959 1.00 0.43 N ATOM 1924 CA ILE A 115 12.190 -7.321 -2.056 1.00 0.41 C ATOM 1925 C ILE A 115 13.456 -8.152 -2.233 1.00 0.42 C ATOM 1926 O ILE A 115 13.760 -8.601 -3.338 1.00 0.43 O ATOM 1927 CB ILE A 115 12.593 -5.847 -1.835 1.00 0.40 C ATOM 1928 CG1 ILE A 115 11.349 -4.966 -1.709 1.00 0.42 C ATOM 1929 CG2 ILE A 115 13.476 -5.359 -2.978 1.00 0.42 C ATOM 1930 CD1 ILE A 115 11.658 -3.515 -1.410 1.00 0.44 C ATOM 0 H ILE A 115 11.425 -7.272 -0.102 1.00 0.43 H new ATOM 0 HA ILE A 115 11.580 -7.397 -2.956 1.00 0.41 H new ATOM 0 HB ILE A 115 13.160 -5.780 -0.907 1.00 0.40 H new ATOM 0 HG12 ILE A 115 10.779 -5.023 -2.636 1.00 0.42 H new ATOM 0 HG13 ILE A 115 10.712 -5.363 -0.918 1.00 0.42 H new ATOM 0 HG21 ILE A 115 13.751 -4.318 -2.807 1.00 0.42 H new ATOM 0 HG22 ILE A 115 14.378 -5.969 -3.027 1.00 0.42 H new ATOM 0 HG23 ILE A 115 12.931 -5.440 -3.919 1.00 0.42 H new ATOM 0 HD11 ILE A 115 10.727 -2.953 -1.335 1.00 0.44 H new ATOM 0 HD12 ILE A 115 12.201 -3.445 -0.467 1.00 0.44 H new ATOM 0 HD13 ILE A 115 12.269 -3.100 -2.212 1.00 0.44 H new ATOM 1942 N CYS A 116 14.186 -8.362 -1.145 1.00 0.43 N ATOM 1943 CA CYS A 116 15.453 -9.077 -1.205 1.00 0.47 C ATOM 1944 C CYS A 116 15.228 -10.539 -1.593 1.00 0.50 C ATOM 1945 O CYS A 116 16.095 -11.175 -2.201 1.00 0.53 O ATOM 1946 CB CYS A 116 16.190 -8.972 0.133 1.00 0.51 C ATOM 1947 SG CYS A 116 16.462 -7.272 0.690 1.00 1.56 S ATOM 0 H CYS A 116 13.922 -8.047 -0.211 1.00 0.43 H new ATOM 0 HA CYS A 116 16.075 -8.617 -1.973 1.00 0.47 H new ATOM 0 HB2 CYS A 116 15.620 -9.506 0.893 1.00 0.51 H new ATOM 0 HB3 CYS A 116 17.154 -9.474 0.046 1.00 0.51 H new ATOM 0 HG CYS A 116 17.620 -7.187 1.275 1.00 1.56 H new ATOM 1953 N ALA A 117 14.046 -11.055 -1.264 1.00 0.50 N ATOM 1954 CA ALA A 117 13.670 -12.415 -1.632 1.00 0.54 C ATOM 1955 C ALA A 117 13.529 -12.557 -3.144 1.00 0.54 C ATOM 1956 O ALA A 117 13.696 -13.648 -3.690 1.00 0.58 O ATOM 1957 CB ALA A 117 12.376 -12.815 -0.943 1.00 0.57 C ATOM 0 H ALA A 117 13.331 -10.549 -0.742 1.00 0.50 H new ATOM 0 HA ALA A 117 14.465 -13.083 -1.301 1.00 0.54 H new ATOM 0 HB1 ALA A 117 12.111 -13.833 -1.229 1.00 0.57 H new ATOM 0 HB2 ALA A 117 12.509 -12.765 0.138 1.00 0.57 H new ATOM 0 HB3 ALA A 117 11.579 -12.135 -1.242 1.00 0.57 H new ATOM 1963 N ARG A 118 13.225 -11.449 -3.825 1.00 0.50 N ATOM 1964 CA ARG A 118 13.110 -11.465 -5.280 1.00 0.51 C ATOM 1965 C ARG A 118 14.468 -11.746 -5.903 1.00 0.52 C ATOM 1966 O ARG A 118 14.572 -12.430 -6.921 1.00 0.55 O ATOM 1967 CB ARG A 118 12.579 -10.133 -5.827 1.00 0.49 C ATOM 1968 CG ARG A 118 11.260 -9.683 -5.222 1.00 0.49 C ATOM 1969 CD ARG A 118 10.186 -10.754 -5.318 1.00 0.58 C ATOM 1970 NE ARG A 118 9.866 -11.099 -6.702 1.00 0.84 N ATOM 1971 CZ ARG A 118 8.728 -11.678 -7.084 1.00 1.16 C ATOM 1972 NH1 ARG A 118 7.790 -11.971 -6.190 1.00 1.23 N ATOM 1973 NH2 ARG A 118 8.532 -11.965 -8.363 1.00 1.75 N ATOM 0 H ARG A 118 13.056 -10.540 -3.395 1.00 0.50 H new ATOM 0 HA ARG A 118 12.401 -12.251 -5.541 1.00 0.51 H new ATOM 0 HB2 ARG A 118 13.327 -9.359 -5.652 1.00 0.49 H new ATOM 0 HB3 ARG A 118 12.458 -10.221 -6.907 1.00 0.49 H new ATOM 0 HG2 ARG A 118 11.414 -9.419 -4.176 1.00 0.49 H new ATOM 0 HG3 ARG A 118 10.918 -8.782 -5.731 1.00 0.49 H new ATOM 0 HD2 ARG A 118 10.520 -11.648 -4.791 1.00 0.58 H new ATOM 0 HD3 ARG A 118 9.284 -10.406 -4.815 1.00 0.58 H new ATOM 0 HE ARG A 118 10.557 -10.883 -7.420 1.00 0.84 H new ATOM 0 HH11 ARG A 118 7.939 -11.753 -5.205 1.00 1.23 H new ATOM 0 HH12 ARG A 118 6.921 -12.414 -6.489 1.00 1.23 H new ATOM 0 HH21 ARG A 118 9.251 -11.743 -9.052 1.00 1.75 H new ATOM 0 HH22 ARG A 118 7.662 -12.408 -8.659 1.00 1.75 H new ATOM 1987 N ILE A 119 15.510 -11.205 -5.285 1.00 0.52 N ATOM 1988 CA ILE A 119 16.864 -11.381 -5.779 1.00 0.54 C ATOM 1989 C ILE A 119 17.385 -12.748 -5.376 1.00 0.58 C ATOM 1990 O ILE A 119 18.045 -13.434 -6.157 1.00 0.66 O ATOM 1991 CB ILE A 119 17.816 -10.310 -5.208 1.00 0.51 C ATOM 1992 CG1 ILE A 119 17.091 -8.973 -5.041 1.00 0.49 C ATOM 1993 CG2 ILE A 119 19.026 -10.144 -6.116 1.00 0.56 C ATOM 1994 CD1 ILE A 119 16.600 -8.372 -6.341 1.00 0.69 C ATOM 0 H ILE A 119 15.440 -10.640 -4.439 1.00 0.52 H new ATOM 0 HA ILE A 119 16.833 -11.286 -6.864 1.00 0.54 H new ATOM 0 HB ILE A 119 18.155 -10.640 -4.226 1.00 0.51 H new ATOM 0 HG12 ILE A 119 16.241 -9.113 -4.374 1.00 0.49 H new ATOM 0 HG13 ILE A 119 17.763 -8.265 -4.556 1.00 0.49 H new ATOM 0 HG21 ILE A 119 19.690 -9.385 -5.702 1.00 0.56 H new ATOM 0 HG22 ILE A 119 19.559 -11.092 -6.189 1.00 0.56 H new ATOM 0 HG23 ILE A 119 18.697 -9.836 -7.108 1.00 0.56 H new ATOM 0 HD11 ILE A 119 16.097 -7.426 -6.138 1.00 0.69 H new ATOM 0 HD12 ILE A 119 17.447 -8.197 -7.004 1.00 0.69 H new ATOM 0 HD13 ILE A 119 15.901 -9.059 -6.818 1.00 0.69 H new ATOM 2006 N GLY A 120 17.073 -13.137 -4.149 1.00 0.57 N ATOM 2007 CA GLY A 120 17.543 -14.399 -3.630 1.00 0.62 C ATOM 2008 C GLY A 120 18.328 -14.230 -2.346 1.00 0.64 C ATOM 2009 O GLY A 120 19.064 -15.127 -1.936 1.00 0.70 O ATOM 0 H GLY A 120 16.499 -12.596 -3.502 1.00 0.57 H new ATOM 0 HA2 GLY A 120 16.692 -15.056 -3.450 1.00 0.62 H new ATOM 0 HA3 GLY A 120 18.170 -14.886 -4.376 1.00 0.62 H new ATOM 2013 N ILE A 121 18.173 -13.077 -1.711 1.00 0.66 N ATOM 2014 CA ILE A 121 18.868 -12.797 -0.465 1.00 0.71 C ATOM 2015 C ILE A 121 18.051 -13.334 0.707 1.00 0.82 C ATOM 2016 O ILE A 121 16.883 -12.980 0.870 1.00 1.54 O ATOM 2017 CB ILE A 121 19.102 -11.282 -0.266 1.00 0.63 C ATOM 2018 CG1 ILE A 121 19.596 -10.622 -1.564 1.00 0.59 C ATOM 2019 CG2 ILE A 121 20.106 -11.061 0.854 1.00 0.67 C ATOM 2020 CD1 ILE A 121 19.676 -9.103 -1.492 1.00 0.56 C ATOM 0 H ILE A 121 17.572 -12.321 -2.039 1.00 0.66 H new ATOM 0 HA ILE A 121 19.840 -13.288 -0.510 1.00 0.71 H new ATOM 0 HB ILE A 121 18.153 -10.819 0.004 1.00 0.63 H new ATOM 0 HG12 ILE A 121 20.582 -11.017 -1.808 1.00 0.59 H new ATOM 0 HG13 ILE A 121 18.929 -10.903 -2.379 1.00 0.59 H new ATOM 0 HG21 ILE A 121 20.268 -9.992 0.991 1.00 0.67 H new ATOM 0 HG22 ILE A 121 19.720 -11.491 1.778 1.00 0.67 H new ATOM 0 HG23 ILE A 121 21.050 -11.541 0.596 1.00 0.67 H new ATOM 0 HD11 ILE A 121 20.032 -8.712 -2.445 1.00 0.56 H new ATOM 0 HD12 ILE A 121 18.687 -8.696 -1.280 1.00 0.56 H new ATOM 0 HD13 ILE A 121 20.366 -8.812 -0.700 1.00 0.56 H new ATOM 2032 N THR A 122 18.654 -14.201 1.504 1.00 0.96 N ATOM 2033 CA THR A 122 17.961 -14.815 2.627 1.00 1.00 C ATOM 2034 C THR A 122 17.910 -13.867 3.826 1.00 0.90 C ATOM 2035 O THR A 122 16.880 -13.734 4.488 1.00 1.04 O ATOM 2036 CB THR A 122 18.645 -16.131 3.037 1.00 1.18 C ATOM 2037 OG1 THR A 122 18.907 -16.921 1.868 1.00 1.55 O ATOM 2038 CG2 THR A 122 17.770 -16.925 3.997 1.00 1.65 C ATOM 0 H THR A 122 19.624 -14.497 1.394 1.00 0.96 H new ATOM 0 HA THR A 122 16.941 -15.029 2.307 1.00 1.00 H new ATOM 0 HB THR A 122 19.581 -15.889 3.541 1.00 1.18 H new ATOM 0 HG1 THR A 122 19.344 -17.758 2.130 1.00 1.55 H new ATOM 0 HG21 THR A 122 18.277 -17.850 4.271 1.00 1.65 H new ATOM 0 HG22 THR A 122 17.584 -16.334 4.894 1.00 1.65 H new ATOM 0 HG23 THR A 122 16.821 -17.160 3.515 1.00 1.65 H new ATOM 2046 N ASN A 123 19.024 -13.205 4.091 1.00 0.91 N ATOM 2047 CA ASN A 123 19.111 -12.263 5.196 1.00 0.87 C ATOM 2048 C ASN A 123 18.907 -10.837 4.690 1.00 0.77 C ATOM 2049 O ASN A 123 19.751 -10.275 3.997 1.00 1.05 O ATOM 2050 CB ASN A 123 20.449 -12.418 5.940 1.00 1.10 C ATOM 2051 CG ASN A 123 21.673 -12.342 5.036 1.00 1.31 C ATOM 2052 OD1 ASN A 123 21.607 -12.622 3.838 1.00 2.13 O ATOM 2053 ND2 ASN A 123 22.810 -12.003 5.615 1.00 1.50 N ATOM 0 H ASN A 123 19.885 -13.303 3.553 1.00 0.91 H new ATOM 0 HA ASN A 123 18.317 -12.481 5.910 1.00 0.87 H new ATOM 0 HB2 ASN A 123 20.523 -11.640 6.700 1.00 1.10 H new ATOM 0 HB3 ASN A 123 20.454 -13.375 6.462 1.00 1.10 H new ATOM 0 HD21 ASN A 123 23.670 -11.967 5.068 1.00 1.50 H new ATOM 0 HD22 ASN A 123 22.828 -11.777 6.610 1.00 1.50 H new ATOM 2060 N HIS A 124 17.768 -10.261 5.046 1.00 0.61 N ATOM 2061 CA HIS A 124 17.342 -8.980 4.488 1.00 0.59 C ATOM 2062 C HIS A 124 17.517 -7.841 5.481 1.00 0.57 C ATOM 2063 O HIS A 124 17.372 -6.675 5.125 1.00 0.66 O ATOM 2064 CB HIS A 124 15.874 -9.045 4.053 1.00 0.63 C ATOM 2065 CG HIS A 124 14.922 -9.380 5.166 1.00 0.58 C ATOM 2066 ND1 HIS A 124 14.217 -8.430 5.874 1.00 0.55 N ATOM 2067 CD2 HIS A 124 14.556 -10.576 5.682 1.00 0.66 C ATOM 2068 CE1 HIS A 124 13.459 -9.029 6.774 1.00 0.57 C ATOM 2069 NE2 HIS A 124 13.647 -10.330 6.681 1.00 0.66 N ATOM 0 H HIS A 124 17.117 -10.661 5.722 1.00 0.61 H new ATOM 0 HA HIS A 124 17.976 -8.784 3.624 1.00 0.59 H new ATOM 0 HB2 HIS A 124 15.590 -8.085 3.622 1.00 0.63 H new ATOM 0 HB3 HIS A 124 15.772 -9.790 3.264 1.00 0.63 H new ATOM 0 HD2 HIS A 124 14.913 -11.545 5.366 1.00 0.66 H new ATOM 0 HE1 HIS A 124 12.796 -8.536 7.470 1.00 0.57 H new ATOM 0 HE2 HIS A 124 13.192 -11.038 7.257 1.00 0.66 H new ATOM 2078 N ASP A 125 17.828 -8.166 6.724 1.00 0.62 N ATOM 2079 CA ASP A 125 17.915 -7.151 7.756 1.00 0.72 C ATOM 2080 C ASP A 125 19.316 -6.569 7.794 1.00 0.64 C ATOM 2081 O ASP A 125 19.645 -5.753 8.652 1.00 0.66 O ATOM 2082 CB ASP A 125 17.523 -7.730 9.114 1.00 0.97 C ATOM 2083 CG ASP A 125 16.093 -8.229 9.128 1.00 1.54 C ATOM 2084 OD1 ASP A 125 15.173 -7.399 9.280 1.00 2.14 O ATOM 2085 OD2 ASP A 125 15.880 -9.454 9.001 1.00 2.11 O ATOM 0 H ASP A 125 18.023 -9.116 7.040 1.00 0.62 H new ATOM 0 HA ASP A 125 17.215 -6.349 7.522 1.00 0.72 H new ATOM 0 HB2 ASP A 125 18.195 -8.550 9.366 1.00 0.97 H new ATOM 0 HB3 ASP A 125 17.648 -6.967 9.883 1.00 0.97 H new ATOM 2090 N GLU A 126 20.133 -6.997 6.839 1.00 0.62 N ATOM 2091 CA GLU A 126 21.484 -6.480 6.681 1.00 0.62 C ATOM 2092 C GLU A 126 21.434 -5.229 5.823 1.00 0.52 C ATOM 2093 O GLU A 126 22.443 -4.562 5.601 1.00 0.61 O ATOM 2094 CB GLU A 126 22.396 -7.530 6.038 1.00 0.76 C ATOM 2095 CG GLU A 126 22.083 -8.964 6.450 1.00 1.19 C ATOM 2096 CD GLU A 126 22.138 -9.194 7.949 1.00 1.84 C ATOM 2097 OE1 GLU A 126 23.249 -9.383 8.484 1.00 2.27 O ATOM 2098 OE2 GLU A 126 21.076 -9.167 8.603 1.00 2.30 O ATOM 0 H GLU A 126 19.878 -7.710 6.155 1.00 0.62 H new ATOM 0 HA GLU A 126 21.894 -6.238 7.662 1.00 0.62 H new ATOM 0 HB2 GLU A 126 22.316 -7.449 4.954 1.00 0.76 H new ATOM 0 HB3 GLU A 126 23.430 -7.306 6.299 1.00 0.76 H new ATOM 0 HG2 GLU A 126 21.090 -9.228 6.087 1.00 1.19 H new ATOM 0 HG3 GLU A 126 22.790 -9.635 5.962 1.00 1.19 H new ATOM 2105 N TYR A 127 20.234 -4.909 5.356 1.00 0.43 N ATOM 2106 CA TYR A 127 20.031 -3.780 4.468 1.00 0.38 C ATOM 2107 C TYR A 127 19.093 -2.757 5.079 1.00 0.39 C ATOM 2108 O TYR A 127 18.188 -3.091 5.848 1.00 0.42 O ATOM 2109 CB TYR A 127 19.444 -4.241 3.139 1.00 0.36 C ATOM 2110 CG TYR A 127 20.251 -5.309 2.461 1.00 0.36 C ATOM 2111 CD1 TYR A 127 21.471 -5.010 1.883 1.00 0.38 C ATOM 2112 CD2 TYR A 127 19.793 -6.614 2.402 1.00 0.40 C ATOM 2113 CE1 TYR A 127 22.218 -5.981 1.261 1.00 0.41 C ATOM 2114 CE2 TYR A 127 20.532 -7.595 1.784 1.00 0.43 C ATOM 2115 CZ TYR A 127 21.747 -7.276 1.212 1.00 0.43 C ATOM 2116 OH TYR A 127 22.492 -8.252 0.591 1.00 0.49 O ATOM 0 H TYR A 127 19.382 -5.423 5.582 1.00 0.43 H new ATOM 0 HA TYR A 127 21.006 -3.321 4.306 1.00 0.38 H new ATOM 0 HB2 TYR A 127 18.434 -4.614 3.308 1.00 0.36 H new ATOM 0 HB3 TYR A 127 19.360 -3.383 2.472 1.00 0.36 H new ATOM 0 HD1 TYR A 127 21.843 -3.997 1.921 1.00 0.38 H new ATOM 0 HD2 TYR A 127 18.842 -6.865 2.848 1.00 0.40 H new ATOM 0 HE1 TYR A 127 23.169 -5.731 0.813 1.00 0.41 H new ATOM 0 HE2 TYR A 127 20.164 -8.610 1.746 1.00 0.43 H new ATOM 0 HH TYR A 127 22.319 -9.117 1.018 1.00 0.49 H new ATOM 2126 N SER A 128 19.318 -1.512 4.724 1.00 0.40 N ATOM 2127 CA SER A 128 18.417 -0.434 5.065 1.00 0.42 C ATOM 2128 C SER A 128 17.787 0.068 3.780 1.00 0.41 C ATOM 2129 O SER A 128 18.263 -0.264 2.693 1.00 0.54 O ATOM 2130 CB SER A 128 19.176 0.697 5.760 1.00 0.47 C ATOM 2131 OG SER A 128 19.883 0.218 6.890 1.00 1.13 O ATOM 0 H SER A 128 20.135 -1.217 4.188 1.00 0.40 H new ATOM 0 HA SER A 128 17.648 -0.789 5.751 1.00 0.42 H new ATOM 0 HB2 SER A 128 19.873 1.156 5.059 1.00 0.47 H new ATOM 0 HB3 SER A 128 18.476 1.474 6.068 1.00 0.47 H new ATOM 0 HG SER A 128 19.462 0.558 7.707 1.00 1.13 H new ATOM 2137 N LEU A 129 16.729 0.848 3.877 1.00 0.42 N ATOM 2138 CA LEU A 129 16.099 1.352 2.672 1.00 0.42 C ATOM 2139 C LEU A 129 16.490 2.807 2.499 1.00 0.43 C ATOM 2140 O LEU A 129 16.647 3.518 3.476 1.00 0.48 O ATOM 2141 CB LEU A 129 14.574 1.179 2.760 1.00 0.43 C ATOM 2142 CG LEU A 129 13.825 0.996 1.426 1.00 0.45 C ATOM 2143 CD1 LEU A 129 13.814 2.274 0.607 1.00 1.33 C ATOM 2144 CD2 LEU A 129 14.435 -0.139 0.619 1.00 1.13 C ATOM 0 H LEU A 129 16.296 1.141 4.753 1.00 0.42 H new ATOM 0 HA LEU A 129 16.436 0.790 1.801 1.00 0.42 H new ATOM 0 HB2 LEU A 129 14.364 0.315 3.390 1.00 0.43 H new ATOM 0 HB3 LEU A 129 14.160 2.051 3.267 1.00 0.43 H new ATOM 0 HG LEU A 129 12.792 0.745 1.666 1.00 0.45 H new ATOM 0 HD11 LEU A 129 13.277 2.104 -0.326 1.00 1.33 H new ATOM 0 HD12 LEU A 129 13.319 3.064 1.172 1.00 1.33 H new ATOM 0 HD13 LEU A 129 14.839 2.573 0.386 1.00 1.33 H new ATOM 0 HD21 LEU A 129 13.891 -0.252 -0.319 1.00 1.13 H new ATOM 0 HD22 LEU A 129 15.481 0.086 0.408 1.00 1.13 H new ATOM 0 HD23 LEU A 129 14.371 -1.066 1.189 1.00 1.13 H new ATOM 2156 N VAL A 130 16.701 3.233 1.273 1.00 0.42 N ATOM 2157 CA VAL A 130 16.990 4.630 0.999 1.00 0.46 C ATOM 2158 C VAL A 130 16.251 5.065 -0.260 1.00 0.46 C ATOM 2159 O VAL A 130 16.480 4.544 -1.350 1.00 0.45 O ATOM 2160 CB VAL A 130 18.514 4.882 0.879 1.00 0.48 C ATOM 2161 CG1 VAL A 130 19.158 3.848 -0.008 1.00 0.49 C ATOM 2162 CG2 VAL A 130 18.821 6.275 0.358 1.00 0.60 C ATOM 0 H VAL A 130 16.679 2.635 0.447 1.00 0.42 H new ATOM 0 HA VAL A 130 16.639 5.232 1.837 1.00 0.46 H new ATOM 0 HB VAL A 130 18.930 4.802 1.883 1.00 0.48 H new ATOM 0 HG11 VAL A 130 20.228 4.044 -0.078 1.00 0.49 H new ATOM 0 HG12 VAL A 130 18.998 2.856 0.414 1.00 0.49 H new ATOM 0 HG13 VAL A 130 18.715 3.895 -1.003 1.00 0.49 H new ATOM 0 HG21 VAL A 130 19.901 6.408 0.290 1.00 0.60 H new ATOM 0 HG22 VAL A 130 18.377 6.400 -0.629 1.00 0.60 H new ATOM 0 HG23 VAL A 130 18.406 7.018 1.039 1.00 0.60 H new ATOM 2172 N ARG A 131 15.326 5.990 -0.094 1.00 0.48 N ATOM 2173 CA ARG A 131 14.487 6.418 -1.191 1.00 0.50 C ATOM 2174 C ARG A 131 14.979 7.742 -1.749 1.00 0.57 C ATOM 2175 O ARG A 131 14.736 8.803 -1.166 1.00 0.64 O ATOM 2176 CB ARG A 131 13.045 6.588 -0.709 1.00 0.54 C ATOM 2177 CG ARG A 131 12.590 5.518 0.264 1.00 0.51 C ATOM 2178 CD ARG A 131 11.109 5.639 0.560 1.00 0.62 C ATOM 2179 NE ARG A 131 10.291 5.104 -0.529 1.00 0.96 N ATOM 2180 CZ ARG A 131 9.137 4.463 -0.350 1.00 1.65 C ATOM 2181 NH1 ARG A 131 8.604 4.376 0.862 1.00 2.18 N ATOM 2182 NH2 ARG A 131 8.502 3.937 -1.391 1.00 2.01 N ATOM 0 H ARG A 131 15.138 6.459 0.792 1.00 0.48 H new ATOM 0 HA ARG A 131 14.529 5.659 -1.972 1.00 0.50 H new ATOM 0 HB2 ARG A 131 12.944 7.564 -0.233 1.00 0.54 H new ATOM 0 HB3 ARG A 131 12.381 6.585 -1.573 1.00 0.54 H new ATOM 0 HG2 ARG A 131 12.801 4.532 -0.151 1.00 0.51 H new ATOM 0 HG3 ARG A 131 13.157 5.602 1.191 1.00 0.51 H new ATOM 0 HD2 ARG A 131 10.878 5.107 1.483 1.00 0.62 H new ATOM 0 HD3 ARG A 131 10.856 6.686 0.724 1.00 0.62 H new ATOM 0 HE ARG A 131 10.625 5.230 -1.484 1.00 0.96 H new ATOM 0 HH11 ARG A 131 9.078 4.800 1.659 1.00 2.18 H new ATOM 0 HH12 ARG A 131 7.720 3.885 0.996 1.00 2.18 H new ATOM 0 HH21 ARG A 131 8.898 4.024 -2.327 1.00 2.01 H new ATOM 0 HH22 ARG A 131 7.618 3.446 -1.255 1.00 2.01 H new ATOM 2196 N GLU A 132 15.655 7.683 -2.881 1.00 0.58 N ATOM 2197 CA GLU A 132 16.059 8.893 -3.562 1.00 0.66 C ATOM 2198 C GLU A 132 14.912 9.410 -4.408 1.00 0.73 C ATOM 2199 O GLU A 132 14.524 8.792 -5.413 1.00 0.74 O ATOM 2200 CB GLU A 132 17.300 8.668 -4.429 1.00 0.68 C ATOM 2201 CG GLU A 132 18.561 8.368 -3.635 1.00 0.64 C ATOM 2202 CD GLU A 132 19.812 8.455 -4.485 1.00 0.72 C ATOM 2203 OE1 GLU A 132 20.199 7.435 -5.095 1.00 0.90 O ATOM 2204 OE2 GLU A 132 20.425 9.537 -4.544 1.00 1.05 O ATOM 0 H GLU A 132 15.933 6.817 -3.343 1.00 0.58 H new ATOM 0 HA GLU A 132 16.319 9.635 -2.807 1.00 0.66 H new ATOM 0 HB2 GLU A 132 17.108 7.841 -5.113 1.00 0.68 H new ATOM 0 HB3 GLU A 132 17.470 9.555 -5.040 1.00 0.68 H new ATOM 0 HG2 GLU A 132 18.640 9.069 -2.804 1.00 0.64 H new ATOM 0 HG3 GLU A 132 18.487 7.370 -3.203 1.00 0.64 H new ATOM 2211 N LEU A 133 14.351 10.532 -3.991 1.00 0.80 N ATOM 2212 CA LEU A 133 13.188 11.067 -4.670 1.00 0.87 C ATOM 2213 C LEU A 133 13.569 12.265 -5.524 1.00 0.97 C ATOM 2214 O LEU A 133 14.740 12.639 -5.613 1.00 1.02 O ATOM 2215 CB LEU A 133 12.098 11.485 -3.674 1.00 0.92 C ATOM 2216 CG LEU A 133 11.873 10.554 -2.474 1.00 0.87 C ATOM 2217 CD1 LEU A 133 10.616 10.960 -1.730 1.00 0.97 C ATOM 2218 CD2 LEU A 133 11.777 9.099 -2.900 1.00 0.80 C ATOM 0 H LEU A 133 14.678 11.082 -3.197 1.00 0.80 H new ATOM 0 HA LEU A 133 12.795 10.275 -5.307 1.00 0.87 H new ATOM 0 HB2 LEU A 133 12.345 12.477 -3.295 1.00 0.92 H new ATOM 0 HB3 LEU A 133 11.157 11.576 -4.216 1.00 0.92 H new ATOM 0 HG LEU A 133 12.735 10.651 -1.814 1.00 0.87 H new ATOM 0 HD11 LEU A 133 10.465 10.294 -0.881 1.00 0.97 H new ATOM 0 HD12 LEU A 133 10.719 11.985 -1.374 1.00 0.97 H new ATOM 0 HD13 LEU A 133 9.759 10.894 -2.400 1.00 0.97 H new ATOM 0 HD21 LEU A 133 11.618 8.473 -2.022 1.00 0.80 H new ATOM 0 HD22 LEU A 133 10.942 8.976 -3.590 1.00 0.80 H new ATOM 0 HD23 LEU A 133 12.702 8.803 -3.394 1.00 0.80 H new ATOM 2230 N MET A 134 12.565 12.860 -6.137 1.00 1.04 N ATOM 2231 CA MET A 134 12.731 14.065 -6.940 1.00 1.15 C ATOM 2232 C MET A 134 11.998 15.224 -6.288 1.00 1.22 C ATOM 2233 O MET A 134 11.638 16.202 -6.948 1.00 1.29 O ATOM 2234 CB MET A 134 12.190 13.827 -8.353 1.00 1.27 C ATOM 2235 CG MET A 134 10.959 12.934 -8.378 1.00 1.36 C ATOM 2236 SD MET A 134 9.576 13.633 -9.306 1.00 1.80 S ATOM 2237 CE MET A 134 9.011 14.898 -8.171 1.00 2.03 C ATOM 0 H MET A 134 11.603 12.522 -6.094 1.00 1.04 H new ATOM 0 HA MET A 134 13.791 14.309 -7.004 1.00 1.15 H new ATOM 0 HB2 MET A 134 11.945 14.787 -8.808 1.00 1.27 H new ATOM 0 HB3 MET A 134 12.972 13.375 -8.964 1.00 1.27 H new ATOM 0 HG2 MET A 134 11.228 11.971 -8.813 1.00 1.36 H new ATOM 0 HG3 MET A 134 10.639 12.743 -7.354 1.00 1.36 H new ATOM 0 HE1 MET A 134 7.942 15.058 -8.308 1.00 2.03 H new ATOM 0 HE2 MET A 134 9.202 14.579 -7.146 1.00 2.03 H new ATOM 0 HE3 MET A 134 9.545 15.828 -8.367 1.00 2.03 H new ATOM 2247 N GLU A 135 11.827 15.116 -4.980 1.00 1.27 N ATOM 2248 CA GLU A 135 10.995 16.028 -4.221 1.00 1.39 C ATOM 2249 C GLU A 135 11.398 17.483 -4.364 1.00 1.41 C ATOM 2250 O GLU A 135 12.579 17.830 -4.373 1.00 1.45 O ATOM 2251 CB GLU A 135 11.036 15.668 -2.751 1.00 1.48 C ATOM 2252 CG GLU A 135 10.191 14.477 -2.380 1.00 1.58 C ATOM 2253 CD GLU A 135 10.045 14.363 -0.887 1.00 1.83 C ATOM 2254 OE1 GLU A 135 10.907 13.730 -0.251 1.00 2.04 O ATOM 2255 OE2 GLU A 135 9.081 14.940 -0.339 1.00 2.29 O ATOM 0 H GLU A 135 12.265 14.389 -4.415 1.00 1.27 H new ATOM 0 HA GLU A 135 9.990 15.921 -4.630 1.00 1.39 H new ATOM 0 HB2 GLU A 135 12.069 15.468 -2.467 1.00 1.48 H new ATOM 0 HB3 GLU A 135 10.706 16.528 -2.169 1.00 1.48 H new ATOM 0 HG2 GLU A 135 9.207 14.568 -2.839 1.00 1.58 H new ATOM 0 HG3 GLU A 135 10.644 13.568 -2.775 1.00 1.58 H new ATOM 2262 N GLU A 136 10.386 18.319 -4.469 1.00 1.46 N ATOM 2263 CA GLU A 136 10.550 19.754 -4.355 1.00 1.52 C ATOM 2264 C GLU A 136 10.459 20.149 -2.883 1.00 1.52 C ATOM 2265 O GLU A 136 10.972 21.186 -2.462 1.00 1.59 O ATOM 2266 CB GLU A 136 9.447 20.469 -5.136 1.00 1.67 C ATOM 2267 CG GLU A 136 8.074 20.348 -4.486 1.00 1.73 C ATOM 2268 CD GLU A 136 7.050 21.268 -5.099 1.00 1.93 C ATOM 2269 OE1 GLU A 136 7.027 22.462 -4.741 1.00 2.12 O ATOM 2270 OE2 GLU A 136 6.277 20.800 -5.964 1.00 1.99 O ATOM 0 H GLU A 136 9.425 18.022 -4.636 1.00 1.46 H new ATOM 0 HA GLU A 136 11.520 20.040 -4.761 1.00 1.52 H new ATOM 0 HB2 GLU A 136 9.704 21.524 -5.232 1.00 1.67 H new ATOM 0 HB3 GLU A 136 9.401 20.059 -6.145 1.00 1.67 H new ATOM 0 HG2 GLU A 136 7.727 19.318 -4.572 1.00 1.73 H new ATOM 0 HG3 GLU A 136 8.161 20.568 -3.422 1.00 1.73 H new ATOM 2277 N LYS A 137 9.772 19.306 -2.118 1.00 1.53 N ATOM 2278 CA LYS A 137 9.489 19.571 -0.717 1.00 1.61 C ATOM 2279 C LYS A 137 10.672 19.196 0.168 1.00 1.55 C ATOM 2280 O LYS A 137 11.486 20.051 0.523 1.00 1.63 O ATOM 2281 CB LYS A 137 8.245 18.789 -0.296 1.00 1.72 C ATOM 2282 CG LYS A 137 7.109 18.901 -1.296 1.00 1.83 C ATOM 2283 CD LYS A 137 5.890 18.115 -0.855 1.00 2.14 C ATOM 2284 CE LYS A 137 4.790 18.179 -1.900 1.00 2.31 C ATOM 2285 NZ LYS A 137 4.054 19.468 -1.859 1.00 2.98 N ATOM 0 H LYS A 137 9.397 18.420 -2.455 1.00 1.53 H new ATOM 0 HA LYS A 137 9.311 20.639 -0.595 1.00 1.61 H new ATOM 0 HB2 LYS A 137 8.508 17.739 -0.169 1.00 1.72 H new ATOM 0 HB3 LYS A 137 7.905 19.152 0.674 1.00 1.72 H new ATOM 0 HG2 LYS A 137 6.839 19.949 -1.423 1.00 1.83 H new ATOM 0 HG3 LYS A 137 7.443 18.538 -2.268 1.00 1.83 H new ATOM 0 HD2 LYS A 137 6.168 17.076 -0.678 1.00 2.14 H new ATOM 0 HD3 LYS A 137 5.521 18.511 0.091 1.00 2.14 H new ATOM 0 HE2 LYS A 137 5.223 18.041 -2.891 1.00 2.31 H new ATOM 0 HE3 LYS A 137 4.091 17.358 -1.741 1.00 2.31 H new ATOM 0 HZ1 LYS A 137 3.313 19.468 -2.589 1.00 2.98 H new ATOM 0 HZ2 LYS A 137 3.618 19.589 -0.923 1.00 2.98 H new ATOM 0 HZ3 LYS A 137 4.715 20.251 -2.037 1.00 2.98 H new ATOM 2299 N LYS A 138 10.768 17.916 0.516 1.00 1.47 N ATOM 2300 CA LYS A 138 11.857 17.443 1.359 1.00 1.45 C ATOM 2301 C LYS A 138 13.153 17.443 0.584 1.00 1.34 C ATOM 2302 O LYS A 138 14.099 18.158 0.922 1.00 1.43 O ATOM 2303 CB LYS A 138 11.603 16.019 1.863 1.00 1.48 C ATOM 2304 CG LYS A 138 10.348 15.861 2.692 1.00 1.52 C ATOM 2305 CD LYS A 138 10.330 14.518 3.410 1.00 1.58 C ATOM 2306 CE LYS A 138 9.916 13.369 2.502 1.00 1.42 C ATOM 2307 NZ LYS A 138 8.600 13.617 1.855 1.00 1.76 N ATOM 0 H LYS A 138 10.108 17.193 0.228 1.00 1.47 H new ATOM 0 HA LYS A 138 11.919 18.119 2.212 1.00 1.45 H new ATOM 0 HB2 LYS A 138 11.543 15.349 1.005 1.00 1.48 H new ATOM 0 HB3 LYS A 138 12.459 15.700 2.458 1.00 1.48 H new ATOM 0 HG2 LYS A 138 10.287 16.668 3.422 1.00 1.52 H new ATOM 0 HG3 LYS A 138 9.471 15.945 2.050 1.00 1.52 H new ATOM 0 HD2 LYS A 138 11.321 14.315 3.816 1.00 1.58 H new ATOM 0 HD3 LYS A 138 9.644 14.572 4.255 1.00 1.58 H new ATOM 0 HE2 LYS A 138 10.676 13.222 1.734 1.00 1.42 H new ATOM 0 HE3 LYS A 138 9.867 12.448 3.082 1.00 1.42 H new ATOM 0 HZ1 LYS A 138 8.284 12.754 1.369 1.00 1.76 H new ATOM 0 HZ2 LYS A 138 7.902 13.882 2.579 1.00 1.76 H new ATOM 0 HZ3 LYS A 138 8.693 14.389 1.164 1.00 1.76 H new ATOM 2321 N ASP A 169 13.158 16.645 -0.473 1.00 1.23 N ATOM 2322 CA ASP A 169 14.352 16.353 -1.237 1.00 1.18 C ATOM 2323 C ASP A 169 15.373 15.693 -0.341 1.00 1.11 C ATOM 2324 O ASP A 169 16.271 16.332 0.214 1.00 1.30 O ATOM 2325 CB ASP A 169 14.920 17.597 -1.923 1.00 1.35 C ATOM 2326 CG ASP A 169 16.182 17.300 -2.710 1.00 1.44 C ATOM 2327 OD1 ASP A 169 16.188 16.323 -3.489 1.00 1.48 O ATOM 2328 OD2 ASP A 169 17.175 18.044 -2.559 1.00 1.59 O ATOM 0 H ASP A 169 12.322 16.179 -0.825 1.00 1.23 H new ATOM 0 HA ASP A 169 14.087 15.664 -2.039 1.00 1.18 H new ATOM 0 HB2 ASP A 169 14.168 18.014 -2.592 1.00 1.35 H new ATOM 0 HB3 ASP A 169 15.135 18.357 -1.171 1.00 1.35 H new ATOM 2333 N GLU A 170 15.193 14.402 -0.182 1.00 0.96 N ATOM 2334 CA GLU A 170 15.977 13.637 0.753 1.00 0.90 C ATOM 2335 C GLU A 170 16.388 12.303 0.156 1.00 0.78 C ATOM 2336 O GLU A 170 15.865 11.874 -0.886 1.00 0.77 O ATOM 2337 CB GLU A 170 15.173 13.404 2.036 1.00 0.98 C ATOM 2338 CG GLU A 170 15.751 14.094 3.258 1.00 1.24 C ATOM 2339 CD GLU A 170 17.202 13.732 3.494 1.00 1.90 C ATOM 2340 OE1 GLU A 170 17.520 12.525 3.496 1.00 2.57 O ATOM 2341 OE2 GLU A 170 18.027 14.650 3.694 1.00 2.27 O ATOM 0 H GLU A 170 14.501 13.857 -0.696 1.00 0.96 H new ATOM 0 HA GLU A 170 16.880 14.202 0.985 1.00 0.90 H new ATOM 0 HB2 GLU A 170 14.152 13.754 1.882 1.00 0.98 H new ATOM 0 HB3 GLU A 170 15.117 12.333 2.228 1.00 0.98 H new ATOM 0 HG2 GLU A 170 15.664 15.174 3.137 1.00 1.24 H new ATOM 0 HG3 GLU A 170 15.165 13.823 4.136 1.00 1.24 H new ATOM 2348 N LEU A 171 17.325 11.657 0.833 1.00 0.73 N ATOM 2349 CA LEU A 171 17.743 10.317 0.484 1.00 0.67 C ATOM 2350 C LEU A 171 16.755 9.339 1.063 1.00 0.62 C ATOM 2351 O LEU A 171 16.671 8.204 0.634 1.00 0.57 O ATOM 2352 CB LEU A 171 19.135 10.024 1.039 1.00 0.71 C ATOM 2353 CG LEU A 171 20.194 11.059 0.692 1.00 0.77 C ATOM 2354 CD1 LEU A 171 21.550 10.640 1.236 1.00 0.86 C ATOM 2355 CD2 LEU A 171 20.254 11.260 -0.811 1.00 0.74 C ATOM 0 H LEU A 171 17.813 12.050 1.638 1.00 0.73 H new ATOM 0 HA LEU A 171 17.780 10.224 -0.601 1.00 0.67 H new ATOM 0 HB2 LEU A 171 19.068 9.944 2.124 1.00 0.71 H new ATOM 0 HB3 LEU A 171 19.461 9.053 0.667 1.00 0.71 H new ATOM 0 HG LEU A 171 19.923 12.007 1.157 1.00 0.77 H new ATOM 0 HD11 LEU A 171 22.294 11.393 0.977 1.00 0.86 H new ATOM 0 HD12 LEU A 171 21.493 10.543 2.320 1.00 0.86 H new ATOM 0 HD13 LEU A 171 21.837 9.683 0.801 1.00 0.86 H new ATOM 0 HD21 LEU A 171 21.015 12.003 -1.049 1.00 0.74 H new ATOM 0 HD22 LEU A 171 20.505 10.316 -1.295 1.00 0.74 H new ATOM 0 HD23 LEU A 171 19.285 11.606 -1.171 1.00 0.74 H new ATOM 2367 N ASN A 172 16.023 9.810 2.064 1.00 0.65 N ATOM 2368 CA ASN A 172 14.996 9.024 2.728 1.00 0.63 C ATOM 2369 C ASN A 172 15.520 7.656 3.125 1.00 0.57 C ATOM 2370 O ASN A 172 15.170 6.649 2.509 1.00 0.53 O ATOM 2371 CB ASN A 172 13.756 8.863 1.842 1.00 0.65 C ATOM 2372 CG ASN A 172 12.961 10.143 1.689 1.00 0.75 C ATOM 2373 OD1 ASN A 172 12.165 10.507 2.557 1.00 0.90 O ATOM 2374 ND2 ASN A 172 13.136 10.805 0.560 1.00 0.80 N ATOM 0 H ASN A 172 16.127 10.753 2.439 1.00 0.65 H new ATOM 0 HA ASN A 172 14.713 9.567 3.630 1.00 0.63 H new ATOM 0 HB2 ASN A 172 14.065 8.515 0.856 1.00 0.65 H new ATOM 0 HB3 ASN A 172 13.113 8.092 2.266 1.00 0.65 H new ATOM 0 HD21 ASN A 172 12.601 11.654 0.379 1.00 0.80 H new ATOM 0 HD22 ASN A 172 13.806 10.467 -0.131 1.00 0.80 H new ATOM 2381 N TRP A 173 16.341 7.606 4.160 1.00 0.58 N ATOM 2382 CA TRP A 173 16.864 6.345 4.635 1.00 0.55 C ATOM 2383 C TRP A 173 15.843 5.739 5.583 1.00 0.54 C ATOM 2384 O TRP A 173 15.698 6.188 6.720 1.00 0.61 O ATOM 2385 CB TRP A 173 18.193 6.552 5.362 1.00 0.60 C ATOM 2386 CG TRP A 173 19.368 6.753 4.458 1.00 0.63 C ATOM 2387 CD1 TRP A 173 19.662 7.866 3.724 1.00 0.72 C ATOM 2388 CD2 TRP A 173 20.425 5.822 4.217 1.00 0.64 C ATOM 2389 NE1 TRP A 173 20.832 7.677 3.034 1.00 0.78 N ATOM 2390 CE2 TRP A 173 21.321 6.431 3.321 1.00 0.73 C ATOM 2391 CE3 TRP A 173 20.699 4.530 4.671 1.00 0.65 C ATOM 2392 CZ2 TRP A 173 22.471 5.792 2.870 1.00 0.80 C ATOM 2393 CZ3 TRP A 173 21.841 3.896 4.223 1.00 0.73 C ATOM 2394 CH2 TRP A 173 22.717 4.530 3.332 1.00 0.79 C ATOM 0 H TRP A 173 16.656 8.423 4.683 1.00 0.58 H new ATOM 0 HA TRP A 173 17.044 5.679 3.791 1.00 0.55 H new ATOM 0 HB2 TRP A 173 18.103 7.418 6.018 1.00 0.60 H new ATOM 0 HB3 TRP A 173 18.383 5.688 5.998 1.00 0.60 H new ATOM 0 HD1 TRP A 173 19.062 8.763 3.692 1.00 0.72 H new ATOM 0 HE1 TRP A 173 21.267 8.355 2.408 1.00 0.78 H new ATOM 0 HE3 TRP A 173 20.030 4.036 5.360 1.00 0.65 H new ATOM 0 HZ2 TRP A 173 23.145 6.276 2.179 1.00 0.80 H new ATOM 0 HZ3 TRP A 173 22.062 2.896 4.565 1.00 0.73 H new ATOM 0 HH2 TRP A 173 23.605 4.010 3.004 1.00 0.79 H new ATOM 2405 N LEU A 174 15.118 4.748 5.105 1.00 0.49 N ATOM 2406 CA LEU A 174 14.000 4.206 5.848 1.00 0.49 C ATOM 2407 C LEU A 174 14.448 3.432 7.068 1.00 0.53 C ATOM 2408 O LEU A 174 15.203 2.449 6.967 1.00 0.56 O ATOM 2409 CB LEU A 174 13.118 3.317 4.983 1.00 0.48 C ATOM 2410 CG LEU A 174 12.413 4.010 3.822 1.00 0.50 C ATOM 2411 CD1 LEU A 174 11.220 3.176 3.394 1.00 0.52 C ATOM 2412 CD2 LEU A 174 11.983 5.416 4.211 1.00 0.54 C ATOM 0 H LEU A 174 15.284 4.301 4.203 1.00 0.49 H new ATOM 0 HA LEU A 174 13.417 5.066 6.176 1.00 0.49 H new ATOM 0 HB2 LEU A 174 13.731 2.510 4.582 1.00 0.48 H new ATOM 0 HB3 LEU A 174 12.362 2.857 5.620 1.00 0.48 H new ATOM 0 HG LEU A 174 13.104 4.101 2.984 1.00 0.50 H new ATOM 0 HD11 LEU A 174 10.712 3.667 2.564 1.00 0.52 H new ATOM 0 HD12 LEU A 174 11.560 2.189 3.079 1.00 0.52 H new ATOM 0 HD13 LEU A 174 10.530 3.072 4.231 1.00 0.52 H new ATOM 0 HD21 LEU A 174 11.482 5.890 3.367 1.00 0.54 H new ATOM 0 HD22 LEU A 174 11.298 5.366 5.057 1.00 0.54 H new ATOM 0 HD23 LEU A 174 12.860 6.001 4.488 1.00 0.54 H new ATOM 2424 N ASP A 175 13.923 3.893 8.200 1.00 0.61 N ATOM 2425 CA ASP A 175 14.129 3.304 9.518 1.00 0.72 C ATOM 2426 C ASP A 175 13.482 1.928 9.627 1.00 0.68 C ATOM 2427 O ASP A 175 13.731 1.192 10.583 1.00 0.75 O ATOM 2428 CB ASP A 175 13.512 4.233 10.562 1.00 0.93 C ATOM 2429 CG ASP A 175 12.101 4.651 10.179 1.00 1.83 C ATOM 2430 OD1 ASP A 175 11.148 3.904 10.492 1.00 2.37 O ATOM 2431 OD2 ASP A 175 11.930 5.742 9.596 1.00 2.56 O ATOM 0 H ASP A 175 13.321 4.716 8.225 1.00 0.61 H new ATOM 0 HA ASP A 175 15.200 3.183 9.682 1.00 0.72 H new ATOM 0 HB2 ASP A 175 13.493 3.731 11.530 1.00 0.93 H new ATOM 0 HB3 ASP A 175 14.136 5.119 10.675 1.00 0.93 H new ATOM 2436 N HIS A 176 12.625 1.617 8.652 1.00 0.66 N ATOM 2437 CA HIS A 176 11.957 0.316 8.545 1.00 0.71 C ATOM 2438 C HIS A 176 10.739 0.197 9.453 1.00 0.83 C ATOM 2439 O HIS A 176 10.147 -0.876 9.553 1.00 1.10 O ATOM 2440 CB HIS A 176 12.923 -0.850 8.800 1.00 0.71 C ATOM 2441 CG HIS A 176 13.790 -1.180 7.627 1.00 0.69 C ATOM 2442 ND1 HIS A 176 13.380 -2.016 6.615 1.00 0.77 N ATOM 2443 CD2 HIS A 176 15.034 -0.769 7.291 1.00 0.67 C ATOM 2444 CE1 HIS A 176 14.328 -2.103 5.707 1.00 0.76 C ATOM 2445 NE2 HIS A 176 15.351 -1.361 6.089 1.00 0.69 N ATOM 0 H HIS A 176 12.372 2.266 7.907 1.00 0.66 H new ATOM 0 HA HIS A 176 11.605 0.255 7.515 1.00 0.71 H new ATOM 0 HB2 HIS A 176 13.557 -0.605 9.652 1.00 0.71 H new ATOM 0 HB3 HIS A 176 12.347 -1.734 9.075 1.00 0.71 H new ATOM 0 HD2 HIS A 176 15.662 -0.100 7.860 1.00 0.67 H new ATOM 0 HE1 HIS A 176 14.278 -2.685 4.799 1.00 0.76 H new ATOM 0 HE2 HIS A 176 16.227 -1.246 5.580 1.00 0.69 H new ATOM 2454 N GLY A 177 10.330 1.300 10.056 1.00 0.82 N ATOM 2455 CA GLY A 177 9.209 1.257 10.981 1.00 0.96 C ATOM 2456 C GLY A 177 8.092 2.191 10.572 1.00 1.00 C ATOM 2457 O GLY A 177 6.911 1.878 10.730 1.00 1.34 O ATOM 0 H GLY A 177 10.748 2.221 9.926 1.00 0.82 H new ATOM 0 HA2 GLY A 177 8.826 0.238 11.037 1.00 0.96 H new ATOM 0 HA3 GLY A 177 9.555 1.523 11.980 1.00 0.96 H new ATOM 2461 N ARG A 178 8.470 3.343 10.051 1.00 0.90 N ATOM 2462 CA ARG A 178 7.510 4.336 9.602 1.00 0.99 C ATOM 2463 C ARG A 178 6.918 3.955 8.246 1.00 0.87 C ATOM 2464 O ARG A 178 7.650 3.617 7.310 1.00 0.86 O ATOM 2465 CB ARG A 178 8.187 5.702 9.526 1.00 1.22 C ATOM 2466 CG ARG A 178 7.346 6.780 8.867 1.00 1.27 C ATOM 2467 CD ARG A 178 8.090 8.102 8.837 1.00 1.18 C ATOM 2468 NE ARG A 178 9.441 7.948 8.299 1.00 1.23 N ATOM 2469 CZ ARG A 178 10.089 8.898 7.628 1.00 1.74 C ATOM 2470 NH1 ARG A 178 9.527 10.087 7.440 1.00 2.16 N ATOM 2471 NH2 ARG A 178 11.310 8.663 7.165 1.00 2.18 N ATOM 0 H ARG A 178 9.445 3.617 9.927 1.00 0.90 H new ATOM 0 HA ARG A 178 6.691 4.380 10.320 1.00 0.99 H new ATOM 0 HB2 ARG A 178 8.444 6.024 10.535 1.00 1.22 H new ATOM 0 HB3 ARG A 178 9.123 5.601 8.976 1.00 1.22 H new ATOM 0 HG2 ARG A 178 7.091 6.478 7.851 1.00 1.27 H new ATOM 0 HG3 ARG A 178 6.408 6.898 9.409 1.00 1.27 H new ATOM 0 HD2 ARG A 178 7.536 8.818 8.230 1.00 1.18 H new ATOM 0 HD3 ARG A 178 8.144 8.513 9.845 1.00 1.18 H new ATOM 0 HE ARG A 178 9.916 7.058 8.447 1.00 1.23 H new ATOM 0 HH11 ARG A 178 8.595 10.275 7.810 1.00 2.16 H new ATOM 0 HH12 ARG A 178 10.027 10.812 6.925 1.00 2.16 H new ATOM 0 HH21 ARG A 178 11.750 7.756 7.323 1.00 2.18 H new ATOM 0 HH22 ARG A 178 11.809 9.389 6.651 1.00 2.18 H new ATOM 2485 N THR A 179 5.593 4.015 8.153 1.00 0.91 N ATOM 2486 CA THR A 179 4.883 3.686 6.924 1.00 0.89 C ATOM 2487 C THR A 179 5.242 4.653 5.793 1.00 0.86 C ATOM 2488 O THR A 179 5.799 5.729 6.020 1.00 0.91 O ATOM 2489 CB THR A 179 3.352 3.664 7.141 1.00 1.05 C ATOM 2490 OG1 THR A 179 2.674 3.322 5.924 1.00 1.20 O ATOM 2491 CG2 THR A 179 2.849 5.009 7.645 1.00 1.11 C ATOM 0 H THR A 179 4.985 4.292 8.924 1.00 0.91 H new ATOM 0 HA THR A 179 5.201 2.685 6.633 1.00 0.89 H new ATOM 0 HB THR A 179 3.138 2.907 7.896 1.00 1.05 H new ATOM 0 HG1 THR A 179 1.707 3.311 6.080 1.00 1.20 H new ATOM 0 HG21 THR A 179 1.769 4.963 7.788 1.00 1.11 H new ATOM 0 HG22 THR A 179 3.331 5.246 8.593 1.00 1.11 H new ATOM 0 HG23 THR A 179 3.086 5.783 6.915 1.00 1.11 H new ATOM 2499 N LEU A 180 4.889 4.262 4.581 1.00 0.84 N ATOM 2500 CA LEU A 180 5.374 4.910 3.373 1.00 0.84 C ATOM 2501 C LEU A 180 4.657 6.227 3.112 1.00 0.93 C ATOM 2502 O LEU A 180 5.285 7.224 2.752 1.00 0.97 O ATOM 2503 CB LEU A 180 5.188 3.956 2.198 1.00 0.85 C ATOM 2504 CG LEU A 180 5.512 2.495 2.526 1.00 0.83 C ATOM 2505 CD1 LEU A 180 5.319 1.610 1.312 1.00 1.08 C ATOM 2506 CD2 LEU A 180 6.927 2.372 3.064 1.00 0.90 C ATOM 0 H LEU A 180 4.255 3.483 4.405 1.00 0.84 H new ATOM 0 HA LEU A 180 6.431 5.145 3.500 1.00 0.84 H new ATOM 0 HB2 LEU A 180 4.157 4.020 1.851 1.00 0.85 H new ATOM 0 HB3 LEU A 180 5.823 4.282 1.374 1.00 0.85 H new ATOM 0 HG LEU A 180 4.820 2.158 3.298 1.00 0.83 H new ATOM 0 HD11 LEU A 180 5.556 0.578 1.572 1.00 1.08 H new ATOM 0 HD12 LEU A 180 4.283 1.671 0.978 1.00 1.08 H new ATOM 0 HD13 LEU A 180 5.979 1.942 0.511 1.00 1.08 H new ATOM 0 HD21 LEU A 180 7.140 1.328 3.292 1.00 0.90 H new ATOM 0 HD22 LEU A 180 7.633 2.732 2.316 1.00 0.90 H new ATOM 0 HD23 LEU A 180 7.024 2.968 3.971 1.00 0.90 H new ATOM 2518 N ARG A 181 3.346 6.227 3.303 1.00 1.02 N ATOM 2519 CA ARG A 181 2.547 7.438 3.152 1.00 1.13 C ATOM 2520 C ARG A 181 3.006 8.514 4.118 1.00 1.18 C ATOM 2521 O ARG A 181 3.001 9.698 3.794 1.00 1.36 O ATOM 2522 CB ARG A 181 1.076 7.134 3.400 1.00 1.22 C ATOM 2523 CG ARG A 181 0.361 6.550 2.201 1.00 1.15 C ATOM 2524 CD ARG A 181 -0.966 5.947 2.608 1.00 0.69 C ATOM 2525 NE ARG A 181 -0.779 4.699 3.343 1.00 1.10 N ATOM 2526 CZ ARG A 181 -1.147 4.497 4.609 1.00 2.02 C ATOM 2527 NH1 ARG A 181 -1.747 5.458 5.303 1.00 2.54 N ATOM 2528 NH2 ARG A 181 -0.913 3.323 5.180 1.00 2.64 N ATOM 0 H ARG A 181 2.810 5.400 3.564 1.00 1.02 H new ATOM 0 HA ARG A 181 2.678 7.800 2.132 1.00 1.13 H new ATOM 0 HB2 ARG A 181 0.995 6.437 4.234 1.00 1.22 H new ATOM 0 HB3 ARG A 181 0.571 8.052 3.701 1.00 1.22 H new ATOM 0 HG2 ARG A 181 0.199 7.327 1.454 1.00 1.15 H new ATOM 0 HG3 ARG A 181 0.985 5.787 1.736 1.00 1.15 H new ATOM 0 HD2 ARG A 181 -1.516 6.657 3.226 1.00 0.69 H new ATOM 0 HD3 ARG A 181 -1.571 5.762 1.721 1.00 0.69 H new ATOM 0 HE ARG A 181 -0.334 3.924 2.852 1.00 1.10 H new ATOM 0 HH11 ARG A 181 -1.931 6.362 4.868 1.00 2.54 H new ATOM 0 HH12 ARG A 181 -2.024 5.292 6.271 1.00 2.54 H new ATOM 0 HH21 ARG A 181 -0.454 2.581 4.651 1.00 2.64 H new ATOM 0 HH22 ARG A 181 -1.192 3.162 6.148 1.00 2.64 H new ATOM 2542 N GLU A 182 3.436 8.086 5.295 1.00 1.11 N ATOM 2543 CA GLU A 182 3.821 9.011 6.347 1.00 1.18 C ATOM 2544 C GLU A 182 5.162 9.650 6.015 1.00 1.16 C ATOM 2545 O GLU A 182 5.496 10.727 6.504 1.00 1.25 O ATOM 2546 CB GLU A 182 3.896 8.278 7.684 1.00 1.25 C ATOM 2547 CG GLU A 182 3.771 9.195 8.881 1.00 1.34 C ATOM 2548 CD GLU A 182 2.452 9.941 8.889 1.00 1.89 C ATOM 2549 OE1 GLU A 182 2.307 10.915 8.124 1.00 2.31 O ATOM 2550 OE2 GLU A 182 1.555 9.559 9.667 1.00 2.30 O ATOM 0 H GLU A 182 3.527 7.101 5.545 1.00 1.11 H new ATOM 0 HA GLU A 182 3.070 9.798 6.422 1.00 1.18 H new ATOM 0 HB2 GLU A 182 3.104 7.530 7.725 1.00 1.25 H new ATOM 0 HB3 GLU A 182 4.844 7.743 7.743 1.00 1.25 H new ATOM 0 HG2 GLU A 182 3.863 8.611 9.797 1.00 1.34 H new ATOM 0 HG3 GLU A 182 4.593 9.911 8.876 1.00 1.34 H new ATOM 2557 N GLN A 183 5.918 8.971 5.165 1.00 1.07 N ATOM 2558 CA GLN A 183 7.194 9.481 4.693 1.00 1.06 C ATOM 2559 C GLN A 183 6.971 10.627 3.720 1.00 1.13 C ATOM 2560 O GLN A 183 7.808 11.512 3.588 1.00 1.22 O ATOM 2561 CB GLN A 183 7.980 8.373 4.003 1.00 1.00 C ATOM 2562 CG GLN A 183 8.351 7.226 4.926 1.00 1.00 C ATOM 2563 CD GLN A 183 8.711 5.964 4.170 1.00 1.04 C ATOM 2564 OE1 GLN A 183 9.173 6.013 3.031 1.00 1.65 O ATOM 2565 NE2 GLN A 183 8.508 4.817 4.797 1.00 0.81 N ATOM 0 H GLN A 183 5.666 8.058 4.786 1.00 1.07 H new ATOM 0 HA GLN A 183 7.762 9.843 5.550 1.00 1.06 H new ATOM 0 HB2 GLN A 183 7.391 7.984 3.172 1.00 1.00 H new ATOM 0 HB3 GLN A 183 8.890 8.795 3.578 1.00 1.00 H new ATOM 0 HG2 GLN A 183 9.194 7.524 5.550 1.00 1.00 H new ATOM 0 HG3 GLN A 183 7.516 7.019 5.596 1.00 1.00 H new ATOM 0 HE21 GLN A 183 8.123 4.813 5.742 1.00 0.81 H new ATOM 0 HE22 GLN A 183 8.736 3.936 4.336 1.00 0.81 H new ATOM 2574 N GLY A 184 5.826 10.600 3.046 1.00 1.16 N ATOM 2575 CA GLY A 184 5.529 11.605 2.047 1.00 1.28 C ATOM 2576 C GLY A 184 6.250 11.329 0.747 1.00 1.23 C ATOM 2577 O GLY A 184 6.642 12.253 0.036 1.00 1.38 O ATOM 0 H GLY A 184 5.098 9.897 3.176 1.00 1.16 H new ATOM 0 HA2 GLY A 184 4.454 11.634 1.868 1.00 1.28 H new ATOM 0 HA3 GLY A 184 5.817 12.587 2.422 1.00 1.28 H new ATOM 2581 N VAL A 185 6.458 10.053 0.459 1.00 1.10 N ATOM 2582 CA VAL A 185 7.114 9.643 -0.771 1.00 1.08 C ATOM 2583 C VAL A 185 6.089 9.357 -1.870 1.00 1.02 C ATOM 2584 O VAL A 185 4.897 9.217 -1.596 1.00 1.15 O ATOM 2585 CB VAL A 185 7.970 8.380 -0.540 1.00 1.13 C ATOM 2586 CG1 VAL A 185 8.988 8.623 0.564 1.00 1.31 C ATOM 2587 CG2 VAL A 185 7.088 7.189 -0.201 1.00 1.14 C ATOM 0 H VAL A 185 6.180 9.281 1.065 1.00 1.10 H new ATOM 0 HA VAL A 185 7.758 10.464 -1.086 1.00 1.08 H new ATOM 0 HB VAL A 185 8.507 8.155 -1.462 1.00 1.13 H new ATOM 0 HG11 VAL A 185 9.584 7.723 0.714 1.00 1.31 H new ATOM 0 HG12 VAL A 185 9.642 9.448 0.281 1.00 1.31 H new ATOM 0 HG13 VAL A 185 8.469 8.873 1.489 1.00 1.31 H new ATOM 0 HG21 VAL A 185 7.711 6.309 -0.042 1.00 1.14 H new ATOM 0 HG22 VAL A 185 6.522 7.402 0.706 1.00 1.14 H new ATOM 0 HG23 VAL A 185 6.398 7.001 -1.024 1.00 1.14 H new ATOM 2597 N GLU A 186 6.565 9.251 -3.106 1.00 0.93 N ATOM 2598 CA GLU A 186 5.713 8.911 -4.232 1.00 0.92 C ATOM 2599 C GLU A 186 5.974 7.485 -4.676 1.00 0.83 C ATOM 2600 O GLU A 186 6.895 6.824 -4.188 1.00 0.82 O ATOM 2601 CB GLU A 186 5.945 9.870 -5.401 1.00 1.02 C ATOM 2602 CG GLU A 186 5.185 11.174 -5.282 1.00 1.46 C ATOM 2603 CD GLU A 186 3.707 11.007 -5.573 1.00 2.45 C ATOM 2604 OE1 GLU A 186 3.008 10.387 -4.747 1.00 2.97 O ATOM 2605 OE2 GLU A 186 3.233 11.500 -6.615 1.00 3.02 O ATOM 0 H GLU A 186 7.544 9.398 -3.351 1.00 0.93 H new ATOM 0 HA GLU A 186 4.675 9.002 -3.911 1.00 0.92 H new ATOM 0 HB2 GLU A 186 7.011 10.087 -5.475 1.00 1.02 H new ATOM 0 HB3 GLU A 186 5.656 9.375 -6.328 1.00 1.02 H new ATOM 0 HG2 GLU A 186 5.312 11.575 -4.277 1.00 1.46 H new ATOM 0 HG3 GLU A 186 5.609 11.903 -5.972 1.00 1.46 H new ATOM 2612 N GLU A 187 5.170 7.021 -5.611 1.00 0.89 N ATOM 2613 CA GLU A 187 5.264 5.660 -6.104 1.00 0.91 C ATOM 2614 C GLU A 187 6.162 5.595 -7.334 1.00 0.91 C ATOM 2615 O GLU A 187 6.643 4.530 -7.712 1.00 1.14 O ATOM 2616 CB GLU A 187 3.866 5.155 -6.436 1.00 1.05 C ATOM 2617 CG GLU A 187 2.986 4.961 -5.212 1.00 1.11 C ATOM 2618 CD GLU A 187 1.514 4.899 -5.555 1.00 1.36 C ATOM 2619 OE1 GLU A 187 1.046 3.840 -6.022 1.00 1.72 O ATOM 2620 OE2 GLU A 187 0.813 5.912 -5.355 1.00 1.86 O ATOM 0 H GLU A 187 4.434 7.574 -6.050 1.00 0.89 H new ATOM 0 HA GLU A 187 5.706 5.027 -5.335 1.00 0.91 H new ATOM 0 HB2 GLU A 187 3.384 5.861 -7.112 1.00 1.05 H new ATOM 0 HB3 GLU A 187 3.947 4.208 -6.969 1.00 1.05 H new ATOM 0 HG2 GLU A 187 3.275 4.041 -4.704 1.00 1.11 H new ATOM 0 HG3 GLU A 187 3.158 5.779 -4.513 1.00 1.11 H new ATOM 2627 N HIS A 188 6.387 6.745 -7.948 1.00 0.92 N ATOM 2628 CA HIS A 188 7.221 6.828 -9.144 1.00 0.95 C ATOM 2629 C HIS A 188 8.705 6.959 -8.788 1.00 0.92 C ATOM 2630 O HIS A 188 9.565 6.889 -9.662 1.00 1.01 O ATOM 2631 CB HIS A 188 6.777 8.009 -10.028 1.00 1.04 C ATOM 2632 CG HIS A 188 6.847 9.353 -9.354 1.00 1.03 C ATOM 2633 ND1 HIS A 188 5.744 10.146 -9.121 1.00 1.09 N ATOM 2634 CD2 HIS A 188 7.902 10.041 -8.862 1.00 1.08 C ATOM 2635 CE1 HIS A 188 6.126 11.256 -8.518 1.00 1.14 C ATOM 2636 NE2 HIS A 188 7.430 11.217 -8.347 1.00 1.15 N ATOM 0 H HIS A 188 6.004 7.639 -7.640 1.00 0.92 H new ATOM 0 HA HIS A 188 7.093 5.900 -9.701 1.00 0.95 H new ATOM 0 HB2 HIS A 188 7.400 8.032 -10.922 1.00 1.04 H new ATOM 0 HB3 HIS A 188 5.753 7.835 -10.358 1.00 1.04 H new ATOM 0 HD2 HIS A 188 8.933 9.719 -8.874 1.00 1.08 H new ATOM 0 HE1 HIS A 188 5.476 12.063 -8.215 1.00 1.14 H new ATOM 0 HE2 HIS A 188 7.994 11.942 -7.904 1.00 1.15 H new ATOM 2645 N GLU A 189 8.994 7.121 -7.503 1.00 0.89 N ATOM 2646 CA GLU A 189 10.358 7.397 -7.038 1.00 0.92 C ATOM 2647 C GLU A 189 11.238 6.147 -7.093 1.00 0.78 C ATOM 2648 O GLU A 189 10.745 5.034 -6.898 1.00 0.74 O ATOM 2649 CB GLU A 189 10.309 7.913 -5.603 1.00 1.10 C ATOM 2650 CG GLU A 189 9.391 9.110 -5.401 1.00 1.37 C ATOM 2651 CD GLU A 189 9.855 10.349 -6.139 1.00 1.82 C ATOM 2652 OE1 GLU A 189 11.008 10.364 -6.612 1.00 2.38 O ATOM 2653 OE2 GLU A 189 9.077 11.315 -6.239 1.00 2.34 O ATOM 0 H GLU A 189 8.301 7.067 -6.756 1.00 0.89 H new ATOM 0 HA GLU A 189 10.793 8.147 -7.699 1.00 0.92 H new ATOM 0 HB2 GLU A 189 9.982 7.104 -4.949 1.00 1.10 H new ATOM 0 HB3 GLU A 189 11.317 8.186 -5.293 1.00 1.10 H new ATOM 0 HG2 GLU A 189 8.387 8.850 -5.736 1.00 1.37 H new ATOM 0 HG3 GLU A 189 9.324 9.333 -4.336 1.00 1.37 H new ATOM 2660 N THR A 190 12.531 6.325 -7.381 1.00 0.74 N ATOM 2661 CA THR A 190 13.475 5.210 -7.343 1.00 0.66 C ATOM 2662 C THR A 190 14.022 5.011 -5.932 1.00 0.57 C ATOM 2663 O THR A 190 14.477 5.957 -5.291 1.00 0.61 O ATOM 2664 CB THR A 190 14.647 5.425 -8.324 1.00 0.70 C ATOM 2665 OG1 THR A 190 14.132 5.763 -9.621 1.00 0.81 O ATOM 2666 CG2 THR A 190 15.520 4.174 -8.431 1.00 0.66 C ATOM 0 H THR A 190 12.942 7.222 -7.640 1.00 0.74 H new ATOM 0 HA THR A 190 12.929 4.317 -7.647 1.00 0.66 H new ATOM 0 HB THR A 190 15.264 6.239 -7.943 1.00 0.70 H new ATOM 0 HG1 THR A 190 14.877 5.901 -10.243 1.00 0.81 H new ATOM 0 HG21 THR A 190 16.336 4.359 -9.130 1.00 0.66 H new ATOM 0 HG22 THR A 190 15.930 3.931 -7.450 1.00 0.66 H new ATOM 0 HG23 THR A 190 14.917 3.339 -8.789 1.00 0.66 H new ATOM 2674 N LEU A 191 13.971 3.779 -5.455 1.00 0.48 N ATOM 2675 CA LEU A 191 14.395 3.464 -4.101 1.00 0.42 C ATOM 2676 C LEU A 191 15.574 2.502 -4.167 1.00 0.39 C ATOM 2677 O LEU A 191 15.679 1.708 -5.099 1.00 0.38 O ATOM 2678 CB LEU A 191 13.256 2.827 -3.281 1.00 0.41 C ATOM 2679 CG LEU A 191 11.864 3.484 -3.374 1.00 0.51 C ATOM 2680 CD1 LEU A 191 11.956 5.001 -3.399 1.00 1.01 C ATOM 2681 CD2 LEU A 191 11.097 2.972 -4.583 1.00 0.82 C ATOM 0 H LEU A 191 13.638 2.976 -5.989 1.00 0.48 H new ATOM 0 HA LEU A 191 14.682 4.391 -3.605 1.00 0.42 H new ATOM 0 HB2 LEU A 191 13.159 1.786 -3.590 1.00 0.41 H new ATOM 0 HB3 LEU A 191 13.557 2.821 -2.233 1.00 0.41 H new ATOM 0 HG LEU A 191 11.315 3.203 -2.475 1.00 0.51 H new ATOM 0 HD11 LEU A 191 10.954 5.425 -3.465 1.00 1.01 H new ATOM 0 HD12 LEU A 191 12.439 5.351 -2.487 1.00 1.01 H new ATOM 0 HD13 LEU A 191 12.541 5.316 -4.263 1.00 1.01 H new ATOM 0 HD21 LEU A 191 10.119 3.452 -4.624 1.00 0.82 H new ATOM 0 HD22 LEU A 191 11.653 3.204 -5.491 1.00 0.82 H new ATOM 0 HD23 LEU A 191 10.968 1.893 -4.502 1.00 0.82 H new ATOM 2693 N LEU A 192 16.475 2.576 -3.208 1.00 0.39 N ATOM 2694 CA LEU A 192 17.633 1.699 -3.196 1.00 0.41 C ATOM 2695 C LEU A 192 17.703 0.968 -1.867 1.00 0.40 C ATOM 2696 O LEU A 192 17.178 1.452 -0.860 1.00 0.44 O ATOM 2697 CB LEU A 192 18.917 2.517 -3.364 1.00 0.44 C ATOM 2698 CG LEU A 192 18.748 3.881 -4.036 1.00 0.49 C ATOM 2699 CD1 LEU A 192 19.891 4.800 -3.646 1.00 0.56 C ATOM 2700 CD2 LEU A 192 18.683 3.733 -5.547 1.00 0.50 C ATOM 0 H LEU A 192 16.430 3.232 -2.428 1.00 0.39 H new ATOM 0 HA LEU A 192 17.538 0.988 -4.017 1.00 0.41 H new ATOM 0 HB2 LEU A 192 19.361 2.669 -2.380 1.00 0.44 H new ATOM 0 HB3 LEU A 192 19.627 1.930 -3.947 1.00 0.44 H new ATOM 0 HG LEU A 192 17.810 4.319 -3.695 1.00 0.49 H new ATOM 0 HD11 LEU A 192 19.761 5.768 -4.130 1.00 0.56 H new ATOM 0 HD12 LEU A 192 19.898 4.933 -2.564 1.00 0.56 H new ATOM 0 HD13 LEU A 192 20.836 4.360 -3.964 1.00 0.56 H new ATOM 0 HD21 LEU A 192 18.563 4.715 -6.004 1.00 0.50 H new ATOM 0 HD22 LEU A 192 19.604 3.275 -5.908 1.00 0.50 H new ATOM 0 HD23 LEU A 192 17.835 3.102 -5.815 1.00 0.50 H new ATOM 2712 N LEU A 193 18.323 -0.197 -1.851 1.00 0.43 N ATOM 2713 CA LEU A 193 18.668 -0.817 -0.588 1.00 0.50 C ATOM 2714 C LEU A 193 20.146 -0.616 -0.318 1.00 0.47 C ATOM 2715 O LEU A 193 20.966 -0.625 -1.236 1.00 0.49 O ATOM 2716 CB LEU A 193 18.285 -2.304 -0.552 1.00 0.68 C ATOM 2717 CG LEU A 193 18.977 -3.213 -1.570 1.00 0.44 C ATOM 2718 CD1 LEU A 193 20.251 -3.818 -1.005 1.00 1.09 C ATOM 2719 CD2 LEU A 193 18.035 -4.314 -2.001 1.00 1.03 C ATOM 0 H LEU A 193 18.593 -0.724 -2.681 1.00 0.43 H new ATOM 0 HA LEU A 193 18.093 -0.336 0.203 1.00 0.50 H new ATOM 0 HB2 LEU A 193 18.497 -2.687 0.446 1.00 0.68 H new ATOM 0 HB3 LEU A 193 17.208 -2.382 -0.701 1.00 0.68 H new ATOM 0 HG LEU A 193 19.248 -2.603 -2.432 1.00 0.44 H new ATOM 0 HD11 LEU A 193 20.715 -4.457 -1.756 1.00 1.09 H new ATOM 0 HD12 LEU A 193 20.942 -3.021 -0.731 1.00 1.09 H new ATOM 0 HD13 LEU A 193 20.012 -4.411 -0.122 1.00 1.09 H new ATOM 0 HD21 LEU A 193 18.534 -4.957 -2.726 1.00 1.03 H new ATOM 0 HD22 LEU A 193 17.743 -4.904 -1.132 1.00 1.03 H new ATOM 0 HD23 LEU A 193 17.147 -3.876 -2.456 1.00 1.03 H new ATOM 2731 N ARG A 194 20.475 -0.406 0.935 1.00 0.46 N ATOM 2732 CA ARG A 194 21.838 -0.129 1.331 1.00 0.46 C ATOM 2733 C ARG A 194 22.281 -1.127 2.370 1.00 0.44 C ATOM 2734 O ARG A 194 21.611 -1.317 3.383 1.00 0.49 O ATOM 2735 CB ARG A 194 21.958 1.286 1.889 1.00 0.53 C ATOM 2736 CG ARG A 194 21.970 2.373 0.828 1.00 0.60 C ATOM 2737 CD ARG A 194 23.245 2.348 0.003 1.00 0.65 C ATOM 2738 NE ARG A 194 24.441 2.321 0.848 1.00 0.69 N ATOM 2739 CZ ARG A 194 25.686 2.440 0.391 1.00 0.95 C ATOM 2740 NH1 ARG A 194 25.910 2.649 -0.901 1.00 1.25 N ATOM 2741 NH2 ARG A 194 26.703 2.361 1.239 1.00 1.06 N ATOM 0 H ARG A 194 19.809 -0.422 1.707 1.00 0.46 H new ATOM 0 HA ARG A 194 22.479 -0.212 0.453 1.00 0.46 H new ATOM 0 HB2 ARG A 194 21.127 1.468 2.570 1.00 0.53 H new ATOM 0 HB3 ARG A 194 22.873 1.357 2.477 1.00 0.53 H new ATOM 0 HG2 ARG A 194 21.110 2.247 0.170 1.00 0.60 H new ATOM 0 HG3 ARG A 194 21.866 3.347 1.306 1.00 0.60 H new ATOM 0 HD2 ARG A 194 23.240 1.473 -0.647 1.00 0.65 H new ATOM 0 HD3 ARG A 194 23.277 3.225 -0.643 1.00 0.65 H new ATOM 0 HE ARG A 194 24.312 2.203 1.853 1.00 0.69 H new ATOM 0 HH11 ARG A 194 25.126 2.719 -1.550 1.00 1.25 H new ATOM 0 HH12 ARG A 194 26.866 2.739 -1.245 1.00 1.25 H new ATOM 0 HH21 ARG A 194 26.528 2.210 2.233 1.00 1.06 H new ATOM 0 HH22 ARG A 194 27.660 2.451 0.898 1.00 1.06 H new ATOM 2755 N ARG A 195 23.392 -1.776 2.108 1.00 0.45 N ATOM 2756 CA ARG A 195 23.933 -2.749 3.031 1.00 0.50 C ATOM 2757 C ARG A 195 24.472 -2.047 4.274 1.00 0.55 C ATOM 2758 O ARG A 195 25.552 -1.457 4.243 1.00 0.64 O ATOM 2759 CB ARG A 195 25.043 -3.542 2.350 1.00 0.59 C ATOM 2760 CG ARG A 195 25.165 -4.969 2.838 1.00 1.02 C ATOM 2761 CD ARG A 195 26.367 -5.646 2.218 1.00 1.07 C ATOM 2762 NE ARG A 195 26.289 -7.101 2.284 1.00 1.49 N ATOM 2763 CZ ARG A 195 27.133 -7.901 1.623 1.00 2.13 C ATOM 2764 NH1 ARG A 195 28.150 -7.373 0.948 1.00 2.34 N ATOM 2765 NH2 ARG A 195 26.968 -9.217 1.625 1.00 2.68 N ATOM 0 H ARG A 195 23.942 -1.647 1.259 1.00 0.45 H new ATOM 0 HA ARG A 195 23.142 -3.435 3.333 1.00 0.50 H new ATOM 0 HB2 ARG A 195 24.863 -3.550 1.275 1.00 0.59 H new ATOM 0 HB3 ARG A 195 25.992 -3.031 2.511 1.00 0.59 H new ATOM 0 HG2 ARG A 195 25.255 -4.980 3.924 1.00 1.02 H new ATOM 0 HG3 ARG A 195 24.260 -5.523 2.587 1.00 1.02 H new ATOM 0 HD2 ARG A 195 26.455 -5.338 1.176 1.00 1.07 H new ATOM 0 HD3 ARG A 195 27.271 -5.311 2.727 1.00 1.07 H new ATOM 0 HE ARG A 195 25.561 -7.526 2.858 1.00 1.49 H new ATOM 0 HH11 ARG A 195 28.284 -6.362 0.936 1.00 2.34 H new ATOM 0 HH12 ARG A 195 28.796 -7.979 0.443 1.00 2.34 H new ATOM 0 HH21 ARG A 195 26.189 -9.633 2.135 1.00 2.68 H new ATOM 0 HH22 ARG A 195 27.620 -9.814 1.116 1.00 2.68 H new ATOM 2779 N LYS A 196 23.700 -2.080 5.351 1.00 0.60 N ATOM 2780 CA LYS A 196 24.122 -1.469 6.602 1.00 0.69 C ATOM 2781 C LYS A 196 25.035 -2.431 7.349 1.00 0.76 C ATOM 2782 O LYS A 196 26.010 -2.022 7.980 1.00 0.88 O ATOM 2783 CB LYS A 196 22.912 -1.086 7.461 1.00 0.75 C ATOM 2784 CG LYS A 196 23.275 -0.262 8.689 1.00 0.88 C ATOM 2785 CD LYS A 196 22.043 0.299 9.385 1.00 1.28 C ATOM 2786 CE LYS A 196 21.177 -0.798 9.984 1.00 1.65 C ATOM 2787 NZ LYS A 196 19.956 -0.248 10.631 1.00 2.15 N ATOM 0 H LYS A 196 22.781 -2.522 5.383 1.00 0.60 H new ATOM 0 HA LYS A 196 24.670 -0.553 6.383 1.00 0.69 H new ATOM 0 HB2 LYS A 196 22.207 -0.522 6.850 1.00 0.75 H new ATOM 0 HB3 LYS A 196 22.401 -1.994 7.781 1.00 0.75 H new ATOM 0 HG2 LYS A 196 23.836 -0.882 9.389 1.00 0.88 H new ATOM 0 HG3 LYS A 196 23.930 0.558 8.394 1.00 0.88 H new ATOM 0 HD2 LYS A 196 22.353 0.986 10.172 1.00 1.28 H new ATOM 0 HD3 LYS A 196 21.455 0.876 8.671 1.00 1.28 H new ATOM 0 HE2 LYS A 196 20.889 -1.501 9.202 1.00 1.65 H new ATOM 0 HE3 LYS A 196 21.756 -1.358 10.718 1.00 1.65 H new ATOM 0 HZ1 LYS A 196 19.392 -1.027 11.027 1.00 2.15 H new ATOM 0 HZ2 LYS A 196 20.231 0.403 11.394 1.00 2.15 H new ATOM 0 HZ3 LYS A 196 19.390 0.265 9.925 1.00 2.15 H new ATOM 2801 N PHE A 197 24.719 -3.714 7.263 1.00 0.77 N ATOM 2802 CA PHE A 197 25.595 -4.742 7.793 1.00 0.89 C ATOM 2803 C PHE A 197 26.190 -5.523 6.641 1.00 0.96 C ATOM 2804 O PHE A 197 25.505 -5.820 5.664 1.00 0.92 O ATOM 2805 CB PHE A 197 24.863 -5.716 8.713 1.00 0.95 C ATOM 2806 CG PHE A 197 23.988 -5.071 9.750 1.00 0.94 C ATOM 2807 CD1 PHE A 197 24.482 -4.101 10.607 1.00 1.14 C ATOM 2808 CD2 PHE A 197 22.661 -5.441 9.859 1.00 0.92 C ATOM 2809 CE1 PHE A 197 23.662 -3.518 11.554 1.00 1.19 C ATOM 2810 CE2 PHE A 197 21.837 -4.865 10.798 1.00 0.95 C ATOM 2811 CZ PHE A 197 22.336 -3.900 11.649 1.00 1.03 C ATOM 0 H PHE A 197 23.864 -4.066 6.832 1.00 0.77 H new ATOM 0 HA PHE A 197 26.367 -4.244 8.379 1.00 0.89 H new ATOM 0 HB2 PHE A 197 24.250 -6.379 8.102 1.00 0.95 H new ATOM 0 HB3 PHE A 197 25.600 -6.340 9.218 1.00 0.95 H new ATOM 0 HD1 PHE A 197 25.516 -3.798 10.534 1.00 1.14 H new ATOM 0 HD2 PHE A 197 22.264 -6.195 9.196 1.00 0.92 H new ATOM 0 HE1 PHE A 197 24.056 -2.764 12.220 1.00 1.19 H new ATOM 0 HE2 PHE A 197 20.803 -5.167 10.869 1.00 0.95 H new ATOM 0 HZ PHE A 197 21.693 -3.444 12.387 1.00 1.03 H new ATOM 2821 N PHE A 198 27.450 -5.867 6.759 1.00 1.16 N ATOM 2822 CA PHE A 198 28.128 -6.600 5.706 1.00 1.33 C ATOM 2823 C PHE A 198 28.208 -8.061 6.085 1.00 1.58 C ATOM 2824 O PHE A 198 28.445 -8.921 5.239 1.00 2.05 O ATOM 2825 CB PHE A 198 29.526 -6.026 5.461 1.00 1.51 C ATOM 2826 CG PHE A 198 29.513 -4.585 5.034 1.00 1.40 C ATOM 2827 CD1 PHE A 198 29.385 -4.242 3.696 1.00 1.61 C ATOM 2828 CD2 PHE A 198 29.631 -3.573 5.972 1.00 1.53 C ATOM 2829 CE1 PHE A 198 29.375 -2.918 3.304 1.00 1.95 C ATOM 2830 CE2 PHE A 198 29.622 -2.246 5.585 1.00 1.78 C ATOM 2831 CZ PHE A 198 29.485 -1.922 4.238 1.00 2.00 C ATOM 0 H PHE A 198 28.030 -5.654 7.571 1.00 1.16 H new ATOM 0 HA PHE A 198 27.562 -6.502 4.780 1.00 1.33 H new ATOM 0 HB2 PHE A 198 30.115 -6.122 6.373 1.00 1.51 H new ATOM 0 HB3 PHE A 198 30.025 -6.620 4.695 1.00 1.51 H new ATOM 0 HD1 PHE A 198 29.292 -5.020 2.952 1.00 1.61 H new ATOM 0 HD2 PHE A 198 29.731 -3.823 7.018 1.00 1.53 H new ATOM 0 HE1 PHE A 198 29.280 -2.667 2.258 1.00 1.95 H new ATOM 0 HE2 PHE A 198 29.721 -1.465 6.324 1.00 1.78 H new ATOM 0 HZ PHE A 198 29.465 -0.887 3.930 1.00 2.00 H new ATOM 2841 N TYR A 199 27.946 -8.300 7.370 1.00 1.48 N ATOM 2842 CA TYR A 199 28.024 -9.611 8.053 1.00 1.79 C ATOM 2843 C TYR A 199 29.276 -10.447 7.736 1.00 2.06 C ATOM 2844 O TYR A 199 29.466 -11.498 8.340 1.00 2.27 O ATOM 2845 CB TYR A 199 26.745 -10.444 7.843 1.00 2.08 C ATOM 2846 CG TYR A 199 26.283 -10.576 6.413 1.00 2.04 C ATOM 2847 CD1 TYR A 199 25.457 -9.615 5.851 1.00 2.05 C ATOM 2848 CD2 TYR A 199 26.664 -11.657 5.629 1.00 2.35 C ATOM 2849 CE1 TYR A 199 25.022 -9.721 4.547 1.00 2.47 C ATOM 2850 CE2 TYR A 199 26.231 -11.772 4.320 1.00 2.78 C ATOM 2851 CZ TYR A 199 25.410 -10.801 3.787 1.00 2.89 C ATOM 2852 OH TYR A 199 24.981 -10.899 2.484 1.00 3.53 O ATOM 0 H TYR A 199 27.658 -7.554 8.003 1.00 1.48 H new ATOM 0 HA TYR A 199 28.115 -9.351 9.108 1.00 1.79 H new ATOM 0 HB2 TYR A 199 26.913 -11.443 8.246 1.00 2.08 H new ATOM 0 HB3 TYR A 199 25.941 -9.996 8.426 1.00 2.08 H new ATOM 0 HD1 TYR A 199 25.149 -8.768 6.446 1.00 2.05 H new ATOM 0 HD2 TYR A 199 27.307 -12.418 6.047 1.00 2.35 H new ATOM 0 HE1 TYR A 199 24.381 -8.961 4.125 1.00 2.47 H new ATOM 0 HE2 TYR A 199 26.534 -12.617 3.720 1.00 2.78 H new ATOM 0 HH TYR A 199 25.341 -11.717 2.082 1.00 3.53 H new ATOM 2862 N SER A 200 30.115 -9.988 6.812 1.00 2.43 N ATOM 2863 CA SER A 200 31.357 -10.671 6.451 1.00 3.08 C ATOM 2864 C SER A 200 31.118 -12.130 6.056 1.00 3.06 C ATOM 2865 O SER A 200 31.986 -12.986 6.241 1.00 3.33 O ATOM 2866 CB SER A 200 32.350 -10.580 7.607 1.00 3.56 C ATOM 2867 OG SER A 200 32.691 -9.226 7.864 1.00 4.12 O ATOM 0 H SER A 200 29.953 -9.127 6.289 1.00 2.43 H new ATOM 0 HA SER A 200 31.773 -10.171 5.577 1.00 3.08 H new ATOM 0 HB2 SER A 200 31.918 -11.028 8.502 1.00 3.56 H new ATOM 0 HB3 SER A 200 33.249 -11.148 7.368 1.00 3.56 H new ATOM 0 HG SER A 200 33.327 -9.184 8.609 1.00 4.12 H new ATOM 2873 N ASP A 201 29.946 -12.385 5.476 1.00 2.98 N ATOM 2874 CA ASP A 201 29.535 -13.732 5.066 1.00 3.19 C ATOM 2875 C ASP A 201 29.533 -14.692 6.265 1.00 3.05 C ATOM 2876 O ASP A 201 29.628 -15.912 6.118 1.00 3.25 O ATOM 2877 CB ASP A 201 30.453 -14.240 3.944 1.00 3.87 C ATOM 2878 CG ASP A 201 29.984 -15.548 3.333 1.00 4.29 C ATOM 2879 OD1 ASP A 201 28.820 -15.623 2.894 1.00 4.89 O ATOM 2880 OD2 ASP A 201 30.785 -16.508 3.275 1.00 4.31 O ATOM 0 H ASP A 201 29.252 -11.665 5.276 1.00 2.98 H new ATOM 0 HA ASP A 201 28.516 -13.689 4.683 1.00 3.19 H new ATOM 0 HB2 ASP A 201 30.514 -13.483 3.162 1.00 3.87 H new ATOM 0 HB3 ASP A 201 31.460 -14.372 4.339 1.00 3.87 H new ATOM 2885 N GLN A 202 29.406 -14.130 7.456 1.00 3.02 N ATOM 2886 CA GLN A 202 29.355 -14.917 8.676 1.00 3.45 C ATOM 2887 C GLN A 202 27.912 -15.264 9.008 1.00 3.85 C ATOM 2888 O GLN A 202 27.139 -14.347 9.346 1.00 4.18 O ATOM 2889 CB GLN A 202 29.999 -14.153 9.837 1.00 3.65 C ATOM 2890 CG GLN A 202 29.995 -14.917 11.153 1.00 4.42 C ATOM 2891 CD GLN A 202 30.785 -16.207 11.078 1.00 5.07 C ATOM 2892 OE1 GLN A 202 31.985 -16.231 11.352 1.00 5.73 O ATOM 2893 NE2 GLN A 202 30.120 -17.284 10.695 1.00 5.30 N ATOM 2894 OXT GLN A 202 27.553 -16.455 8.939 1.00 4.27 O ATOM 0 H GLN A 202 29.336 -13.123 7.604 1.00 3.02 H new ATOM 0 HA GLN A 202 29.915 -15.839 8.521 1.00 3.45 H new ATOM 0 HB2 GLN A 202 31.028 -13.909 9.573 1.00 3.65 H new ATOM 0 HB3 GLN A 202 29.473 -13.209 9.974 1.00 3.65 H new ATOM 0 HG2 GLN A 202 30.411 -14.285 11.937 1.00 4.42 H new ATOM 0 HG3 GLN A 202 28.966 -15.141 11.436 1.00 4.42 H new ATOM 0 HE21 GLN A 202 29.126 -17.219 10.478 1.00 5.30 H new ATOM 0 HE22 GLN A 202 30.602 -18.180 10.617 1.00 5.30 H new TER 2903 GLN A 202