USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 827 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 43 LYS NZ :NH3+ -174:sc= -0.202 (180deg=-0.322) USER MOD Set 1.2: A 87 TYR OH : rot 110:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0.394 X(o=0.39,f=-0.08) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0417 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -161:sc= -0.0316 (180deg=-0.311) USER MOD Single : A 40 LYS NZ :NH3+ -131:sc= 1.23 (180deg=-0.746) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.625 K(o=-0.63,f=-2) USER MOD Single : A 58 GLN : amide:sc= -0.949 X(o=-0.95,f=-0.71) USER MOD Single : A 60 HIS : no HD1:sc= -1.01 K(o=-1,f=-0.31) USER MOD Single : A 62 SER OG : rot 76:sc= 0.959 USER MOD Single : A 63 TYR OH : rot 180:sc=-0.00809 USER MOD Single : A 67 SER OG : rot 53:sc= 0.81 USER MOD Single : A 68 LYS NZ :NH3+ -177:sc= 1.1 (180deg=1.05) USER MOD Single : A 70 TYR OH : rot -108:sc= 0.0392 USER MOD Single : A 75 HIS : no HD1:sc= 1.22 K(o=1.2,f=-4.2!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc=-0.00817 X(o=-0.0082,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0245 USER MOD Single : A 89 CYS SG : rot 113:sc= 1.54 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -50:sc= -2.9 USER MOD Single : A 94 LYS NZ :NH3+ -147:sc= -4.72! (180deg=-8.41!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -99:sc= -2.07! USER MOD Single : A 101 ASN : amide:sc= -4.07! K(o=-4.1!,f=-0.3) USER MOD Single : A 103 ASN : amide:sc= 0.533 K(o=0.53,f=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HE2:sc= -0.955 K(o=-0.96,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -19.784 -8.801 -1.452 1.00 0.70 N ATOM 14 CA ASP A 2 -20.788 -8.118 -2.231 1.00 0.72 C ATOM 15 C ASP A 2 -20.152 -7.338 -3.380 1.00 0.70 C ATOM 16 O ASP A 2 -18.987 -7.002 -3.293 1.00 0.75 O ATOM 17 CB ASP A 2 -21.434 -7.152 -1.270 1.00 0.79 C ATOM 18 CG ASP A 2 -22.195 -7.838 -0.154 1.00 1.04 C ATOM 19 OD1 ASP A 2 -21.565 -8.303 0.810 1.00 1.65 O ATOM 20 OD2 ASP A 2 -23.441 -7.943 -0.270 1.00 1.11 O ATOM 0 HA ASP A 2 -21.496 -8.820 -2.671 1.00 0.72 H new ATOM 0 HB2 ASP A 2 -20.665 -6.512 -0.837 1.00 0.79 H new ATOM 0 HB3 ASP A 2 -22.116 -6.503 -1.820 1.00 0.79 H new ATOM 25 N PRO A 3 -20.900 -7.004 -4.444 1.00 0.71 N ATOM 26 CA PRO A 3 -20.343 -6.292 -5.607 1.00 0.72 C ATOM 27 C PRO A 3 -19.766 -4.907 -5.267 1.00 0.66 C ATOM 28 O PRO A 3 -20.439 -3.877 -5.390 1.00 0.97 O ATOM 29 CB PRO A 3 -21.525 -6.174 -6.574 1.00 0.84 C ATOM 30 CG PRO A 3 -22.738 -6.371 -5.731 1.00 0.94 C ATOM 31 CD PRO A 3 -22.332 -7.295 -4.615 1.00 0.81 C ATOM 0 HA PRO A 3 -19.493 -6.834 -6.023 1.00 0.72 H new ATOM 0 HB2 PRO A 3 -21.539 -5.200 -7.063 1.00 0.84 H new ATOM 0 HB3 PRO A 3 -21.466 -6.925 -7.362 1.00 0.84 H new ATOM 0 HG2 PRO A 3 -23.096 -5.420 -5.337 1.00 0.94 H new ATOM 0 HG3 PRO A 3 -23.552 -6.801 -6.315 1.00 0.94 H new ATOM 0 HD2 PRO A 3 -22.895 -7.097 -3.703 1.00 0.81 H new ATOM 0 HD3 PRO A 3 -22.503 -8.340 -4.875 1.00 0.81 H new ATOM 39 N ILE A 4 -18.521 -4.915 -4.806 1.00 0.45 N ATOM 40 CA ILE A 4 -17.750 -3.705 -4.549 1.00 0.41 C ATOM 41 C ILE A 4 -16.628 -3.603 -5.564 1.00 0.41 C ATOM 42 O ILE A 4 -16.653 -2.759 -6.456 1.00 0.50 O ATOM 43 CB ILE A 4 -17.148 -3.736 -3.120 1.00 0.36 C ATOM 44 CG1 ILE A 4 -18.193 -3.326 -2.088 1.00 0.42 C ATOM 45 CG2 ILE A 4 -15.905 -2.858 -2.973 1.00 0.33 C ATOM 46 CD1 ILE A 4 -19.164 -4.419 -1.751 1.00 0.46 C ATOM 0 H ILE A 4 -18.012 -5.774 -4.597 1.00 0.45 H new ATOM 0 HA ILE A 4 -18.410 -2.842 -4.632 1.00 0.41 H new ATOM 0 HB ILE A 4 -16.837 -4.766 -2.943 1.00 0.36 H new ATOM 0 HG12 ILE A 4 -17.687 -3.007 -1.177 1.00 0.42 H new ATOM 0 HG13 ILE A 4 -18.745 -2.464 -2.464 1.00 0.42 H new ATOM 0 HG21 ILE A 4 -15.532 -2.923 -1.951 1.00 0.33 H new ATOM 0 HG22 ILE A 4 -15.134 -3.201 -3.663 1.00 0.33 H new ATOM 0 HG23 ILE A 4 -16.161 -1.823 -3.200 1.00 0.33 H new ATOM 0 HD11 ILE A 4 -19.878 -4.056 -1.011 1.00 0.46 H new ATOM 0 HD12 ILE A 4 -19.698 -4.722 -2.652 1.00 0.46 H new ATOM 0 HD13 ILE A 4 -18.623 -5.274 -1.345 1.00 0.46 H new ATOM 58 N GLY A 5 -15.665 -4.501 -5.430 1.00 0.36 N ATOM 59 CA GLY A 5 -14.473 -4.423 -6.234 1.00 0.39 C ATOM 60 C GLY A 5 -13.454 -3.637 -5.481 1.00 0.33 C ATOM 61 O GLY A 5 -12.857 -2.693 -5.991 1.00 0.33 O ATOM 0 H GLY A 5 -15.692 -5.283 -4.776 1.00 0.36 H new ATOM 0 HA2 GLY A 5 -14.096 -5.422 -6.453 1.00 0.39 H new ATOM 0 HA3 GLY A 5 -14.690 -3.947 -7.190 1.00 0.39 H new ATOM 65 N LEU A 6 -13.289 -4.061 -4.239 1.00 0.32 N ATOM 66 CA LEU A 6 -12.571 -3.326 -3.224 1.00 0.29 C ATOM 67 C LEU A 6 -11.190 -2.957 -3.705 1.00 0.29 C ATOM 68 O LEU A 6 -10.786 -1.798 -3.643 1.00 0.33 O ATOM 69 CB LEU A 6 -12.501 -4.196 -1.981 1.00 0.29 C ATOM 70 CG LEU A 6 -12.340 -3.461 -0.665 1.00 0.27 C ATOM 71 CD1 LEU A 6 -13.351 -2.330 -0.542 1.00 0.31 C ATOM 72 CD2 LEU A 6 -12.503 -4.447 0.468 1.00 0.28 C ATOM 0 H LEU A 6 -13.662 -4.950 -3.905 1.00 0.32 H new ATOM 0 HA LEU A 6 -13.088 -2.394 -2.998 1.00 0.29 H new ATOM 0 HB2 LEU A 6 -13.409 -4.797 -1.930 1.00 0.29 H new ATOM 0 HB3 LEU A 6 -11.666 -4.888 -2.092 1.00 0.29 H new ATOM 0 HG LEU A 6 -11.346 -3.015 -0.623 1.00 0.27 H new ATOM 0 HD11 LEU A 6 -13.212 -1.820 0.411 1.00 0.31 H new ATOM 0 HD12 LEU A 6 -13.205 -1.621 -1.357 1.00 0.31 H new ATOM 0 HD13 LEU A 6 -14.361 -2.738 -0.592 1.00 0.31 H new ATOM 0 HD21 LEU A 6 -12.389 -3.929 1.420 1.00 0.28 H new ATOM 0 HD22 LEU A 6 -13.493 -4.899 0.417 1.00 0.28 H new ATOM 0 HD23 LEU A 6 -11.744 -5.225 0.385 1.00 0.28 H new ATOM 84 N PHE A 7 -10.485 -3.940 -4.210 1.00 0.30 N ATOM 85 CA PHE A 7 -9.203 -3.704 -4.804 1.00 0.32 C ATOM 86 C PHE A 7 -9.381 -3.338 -6.261 1.00 0.29 C ATOM 87 O PHE A 7 -9.331 -4.189 -7.151 1.00 0.32 O ATOM 88 CB PHE A 7 -8.338 -4.935 -4.662 1.00 0.41 C ATOM 89 CG PHE A 7 -7.194 -4.778 -3.708 1.00 0.45 C ATOM 90 CD1 PHE A 7 -7.042 -3.625 -2.960 1.00 0.62 C ATOM 91 CD2 PHE A 7 -6.270 -5.792 -3.562 1.00 0.64 C ATOM 92 CE1 PHE A 7 -5.979 -3.490 -2.084 1.00 0.67 C ATOM 93 CE2 PHE A 7 -5.212 -5.666 -2.698 1.00 0.72 C ATOM 94 CZ PHE A 7 -5.060 -4.516 -1.955 1.00 0.61 C ATOM 0 H PHE A 7 -10.785 -4.915 -4.219 1.00 0.30 H new ATOM 0 HA PHE A 7 -8.709 -2.877 -4.294 1.00 0.32 H new ATOM 0 HB2 PHE A 7 -8.961 -5.766 -4.331 1.00 0.41 H new ATOM 0 HB3 PHE A 7 -7.944 -5.203 -5.642 1.00 0.41 H new ATOM 0 HD1 PHE A 7 -7.759 -2.823 -3.060 1.00 0.62 H new ATOM 0 HD2 PHE A 7 -6.381 -6.699 -4.137 1.00 0.64 H new ATOM 0 HE1 PHE A 7 -5.867 -2.587 -1.503 1.00 0.67 H new ATOM 0 HE2 PHE A 7 -4.497 -6.470 -2.600 1.00 0.72 H new ATOM 0 HZ PHE A 7 -4.227 -4.416 -1.275 1.00 0.61 H new ATOM 104 N VAL A 8 -9.633 -2.066 -6.473 1.00 0.28 N ATOM 105 CA VAL A 8 -9.804 -1.518 -7.807 1.00 0.34 C ATOM 106 C VAL A 8 -8.491 -1.609 -8.570 1.00 0.44 C ATOM 107 O VAL A 8 -8.457 -1.907 -9.763 1.00 0.63 O ATOM 108 CB VAL A 8 -10.274 -0.051 -7.743 1.00 0.32 C ATOM 109 CG1 VAL A 8 -10.629 0.466 -9.127 1.00 0.41 C ATOM 110 CG2 VAL A 8 -11.450 0.090 -6.789 1.00 0.33 C ATOM 0 H VAL A 8 -9.726 -1.378 -5.726 1.00 0.28 H new ATOM 0 HA VAL A 8 -10.567 -2.099 -8.325 1.00 0.34 H new ATOM 0 HB VAL A 8 -9.452 0.556 -7.363 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -10.958 1.503 -9.055 1.00 0.41 H new ATOM 0 HG12 VAL A 8 -9.753 0.407 -9.773 1.00 0.41 H new ATOM 0 HG13 VAL A 8 -11.431 -0.140 -9.547 1.00 0.41 H new ATOM 0 HG21 VAL A 8 -11.769 1.132 -6.756 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -12.276 -0.531 -7.135 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -11.149 -0.229 -5.791 1.00 0.33 H new ATOM 120 N MET A 9 -7.411 -1.335 -7.863 1.00 0.43 N ATOM 121 CA MET A 9 -6.074 -1.597 -8.362 1.00 0.65 C ATOM 122 C MET A 9 -5.224 -2.097 -7.223 1.00 0.44 C ATOM 123 O MET A 9 -5.241 -1.528 -6.134 1.00 0.44 O ATOM 124 CB MET A 9 -5.425 -0.354 -8.955 1.00 1.05 C ATOM 125 CG MET A 9 -4.051 -0.615 -9.557 1.00 1.45 C ATOM 126 SD MET A 9 -3.196 0.902 -10.023 1.00 2.35 S ATOM 127 CE MET A 9 -1.686 0.243 -10.724 1.00 2.88 C ATOM 0 H MET A 9 -7.435 -0.926 -6.929 1.00 0.43 H new ATOM 0 HA MET A 9 -6.151 -2.340 -9.156 1.00 0.65 H new ATOM 0 HB2 MET A 9 -6.079 0.055 -9.725 1.00 1.05 H new ATOM 0 HB3 MET A 9 -5.334 0.405 -8.178 1.00 1.05 H new ATOM 0 HG2 MET A 9 -3.442 -1.164 -8.839 1.00 1.45 H new ATOM 0 HG3 MET A 9 -4.159 -1.251 -10.436 1.00 1.45 H new ATOM 0 HE1 MET A 9 -1.052 1.064 -11.059 1.00 2.88 H new ATOM 0 HE2 MET A 9 -1.158 -0.339 -9.969 1.00 2.88 H new ATOM 0 HE3 MET A 9 -1.928 -0.398 -11.572 1.00 2.88 H new ATOM 137 N ARG A 10 -4.485 -3.148 -7.475 1.00 0.47 N ATOM 138 CA ARG A 10 -3.656 -3.737 -6.451 1.00 0.41 C ATOM 139 C ARG A 10 -2.223 -3.260 -6.617 1.00 0.39 C ATOM 140 O ARG A 10 -1.660 -3.350 -7.708 1.00 0.45 O ATOM 141 CB ARG A 10 -3.721 -5.262 -6.508 1.00 0.46 C ATOM 142 CG ARG A 10 -5.142 -5.814 -6.519 1.00 0.97 C ATOM 143 CD ARG A 10 -5.170 -7.330 -6.366 1.00 1.34 C ATOM 144 NE ARG A 10 -6.501 -7.822 -6.002 1.00 2.11 N ATOM 145 CZ ARG A 10 -7.127 -8.831 -6.608 1.00 2.72 C ATOM 146 NH1 ARG A 10 -6.583 -9.420 -7.665 1.00 2.74 N ATOM 147 NH2 ARG A 10 -8.303 -9.243 -6.151 1.00 3.67 N ATOM 0 H ARG A 10 -4.440 -3.615 -8.381 1.00 0.47 H new ATOM 0 HA ARG A 10 -4.028 -3.422 -5.476 1.00 0.41 H new ATOM 0 HB2 ARG A 10 -3.200 -5.606 -7.401 1.00 0.46 H new ATOM 0 HB3 ARG A 10 -3.188 -5.672 -5.650 1.00 0.46 H new ATOM 0 HG2 ARG A 10 -5.714 -5.358 -5.711 1.00 0.97 H new ATOM 0 HG3 ARG A 10 -5.631 -5.535 -7.452 1.00 0.97 H new ATOM 0 HD2 ARG A 10 -4.855 -7.794 -7.301 1.00 1.34 H new ATOM 0 HD3 ARG A 10 -4.452 -7.630 -5.603 1.00 1.34 H new ATOM 0 HE ARG A 10 -6.983 -7.360 -5.231 1.00 2.11 H new ATOM 0 HH11 ARG A 10 -5.681 -9.101 -8.018 1.00 2.74 H new ATOM 0 HH12 ARG A 10 -7.067 -10.192 -8.124 1.00 2.74 H new ATOM 0 HH21 ARG A 10 -8.723 -8.788 -5.340 1.00 3.67 H new ATOM 0 HH22 ARG A 10 -8.787 -10.015 -6.610 1.00 3.67 H new ATOM 161 N PRO A 11 -1.627 -2.724 -5.543 1.00 0.43 N ATOM 162 CA PRO A 11 -0.253 -2.225 -5.568 1.00 0.50 C ATOM 163 C PRO A 11 0.734 -3.310 -5.986 1.00 0.47 C ATOM 164 O PRO A 11 0.499 -4.500 -5.758 1.00 0.54 O ATOM 165 CB PRO A 11 0.013 -1.771 -4.134 1.00 0.62 C ATOM 166 CG PRO A 11 -1.086 -2.333 -3.309 1.00 0.64 C ATOM 167 CD PRO A 11 -2.251 -2.570 -4.223 1.00 0.53 C ATOM 0 HA PRO A 11 -0.127 -1.421 -6.293 1.00 0.50 H new ATOM 0 HB2 PRO A 11 0.982 -2.129 -3.786 1.00 0.62 H new ATOM 0 HB3 PRO A 11 0.032 -0.683 -4.068 1.00 0.62 H new ATOM 0 HG2 PRO A 11 -0.774 -3.263 -2.835 1.00 0.64 H new ATOM 0 HG3 PRO A 11 -1.358 -1.644 -2.510 1.00 0.64 H new ATOM 0 HD2 PRO A 11 -2.810 -3.461 -3.937 1.00 0.53 H new ATOM 0 HD3 PRO A 11 -2.951 -1.735 -4.205 1.00 0.53 H new ATOM 175 N GLN A 12 1.832 -2.894 -6.598 1.00 0.44 N ATOM 176 CA GLN A 12 2.746 -3.808 -7.258 1.00 0.43 C ATOM 177 C GLN A 12 4.169 -3.627 -6.760 1.00 0.37 C ATOM 178 O GLN A 12 4.446 -2.676 -6.046 1.00 0.40 O ATOM 179 CB GLN A 12 2.672 -3.536 -8.744 1.00 0.55 C ATOM 180 CG GLN A 12 1.299 -3.820 -9.313 1.00 0.73 C ATOM 181 CD GLN A 12 0.974 -5.304 -9.333 1.00 1.06 C ATOM 182 OE1 GLN A 12 1.173 -5.973 -10.345 1.00 1.43 O ATOM 183 NE2 GLN A 12 0.521 -5.849 -8.205 1.00 1.32 N ATOM 0 H GLN A 12 2.113 -1.915 -6.650 1.00 0.44 H new ATOM 0 HA GLN A 12 2.460 -4.836 -7.037 1.00 0.43 H new ATOM 0 HB2 GLN A 12 2.933 -2.495 -8.934 1.00 0.55 H new ATOM 0 HB3 GLN A 12 3.411 -4.149 -9.260 1.00 0.55 H new ATOM 0 HG2 GLN A 12 0.549 -3.295 -8.722 1.00 0.73 H new ATOM 0 HG3 GLN A 12 1.240 -3.425 -10.327 1.00 0.73 H new ATOM 0 HE21 GLN A 12 0.367 -5.265 -7.383 1.00 1.32 H new ATOM 0 HE22 GLN A 12 0.329 -6.850 -8.164 1.00 1.32 H new ATOM 192 N ASP A 13 5.052 -4.554 -7.139 1.00 0.34 N ATOM 193 CA ASP A 13 6.405 -4.581 -6.729 1.00 0.33 C ATOM 194 C ASP A 13 7.180 -3.389 -7.264 1.00 0.36 C ATOM 195 O ASP A 13 6.660 -2.294 -7.479 1.00 0.50 O ATOM 196 CB ASP A 13 7.003 -5.875 -7.291 1.00 0.35 C ATOM 197 CG ASP A 13 6.118 -7.088 -7.072 1.00 1.04 C ATOM 198 OD1 ASP A 13 5.141 -7.265 -7.830 1.00 1.03 O ATOM 199 OD2 ASP A 13 6.401 -7.869 -6.130 1.00 2.06 O ATOM 0 H ASP A 13 4.807 -5.323 -7.763 1.00 0.34 H new ATOM 0 HA ASP A 13 6.466 -4.537 -5.642 1.00 0.33 H new ATOM 0 HB2 ASP A 13 7.181 -5.751 -8.359 1.00 0.35 H new ATOM 0 HB3 ASP A 13 7.972 -6.052 -6.825 1.00 0.35 H new ATOM 204 N GLY A 14 8.424 -3.651 -7.522 1.00 0.30 N ATOM 205 CA GLY A 14 9.342 -2.632 -7.946 1.00 0.30 C ATOM 206 C GLY A 14 10.725 -2.879 -7.421 1.00 0.25 C ATOM 207 O GLY A 14 10.929 -3.199 -6.252 1.00 0.28 O ATOM 0 H GLY A 14 8.836 -4.581 -7.445 1.00 0.30 H new ATOM 0 HA2 GLY A 14 9.367 -2.595 -9.035 1.00 0.30 H new ATOM 0 HA3 GLY A 14 8.990 -1.659 -7.602 1.00 0.30 H new ATOM 211 N GLU A 15 11.663 -2.748 -8.306 1.00 0.26 N ATOM 212 CA GLU A 15 13.065 -2.941 -7.996 1.00 0.25 C ATOM 213 C GLU A 15 13.798 -1.628 -8.211 1.00 0.23 C ATOM 214 O GLU A 15 13.875 -1.135 -9.336 1.00 0.30 O ATOM 215 CB GLU A 15 13.668 -4.040 -8.881 1.00 0.33 C ATOM 216 CG GLU A 15 12.771 -5.259 -9.075 1.00 0.69 C ATOM 217 CD GLU A 15 11.954 -5.193 -10.355 1.00 1.11 C ATOM 218 OE1 GLU A 15 11.362 -4.131 -10.637 1.00 1.53 O ATOM 219 OE2 GLU A 15 11.928 -6.194 -11.101 1.00 1.48 O ATOM 0 H GLU A 15 11.485 -2.501 -9.280 1.00 0.26 H new ATOM 0 HA GLU A 15 13.168 -3.255 -6.957 1.00 0.25 H new ATOM 0 HB2 GLU A 15 13.900 -3.616 -9.858 1.00 0.33 H new ATOM 0 HB3 GLU A 15 14.612 -4.365 -8.443 1.00 0.33 H new ATOM 0 HG2 GLU A 15 13.386 -6.159 -9.089 1.00 0.69 H new ATOM 0 HG3 GLU A 15 12.097 -5.347 -8.223 1.00 0.69 H new ATOM 226 N VAL A 16 14.326 -1.054 -7.136 1.00 0.20 N ATOM 227 CA VAL A 16 14.889 0.237 -7.160 1.00 0.21 C ATOM 228 C VAL A 16 16.172 0.192 -6.379 1.00 0.22 C ATOM 229 O VAL A 16 16.430 -0.745 -5.641 1.00 0.27 O ATOM 230 CB VAL A 16 13.949 1.282 -6.544 1.00 0.22 C ATOM 231 CG1 VAL A 16 12.521 1.095 -7.030 1.00 0.25 C ATOM 232 CG2 VAL A 16 14.020 1.289 -5.017 1.00 0.23 C ATOM 0 H VAL A 16 14.362 -1.503 -6.221 1.00 0.20 H new ATOM 0 HA VAL A 16 15.064 0.530 -8.195 1.00 0.21 H new ATOM 0 HB VAL A 16 14.292 2.259 -6.884 1.00 0.22 H new ATOM 0 HG11 VAL A 16 11.880 1.851 -6.576 1.00 0.25 H new ATOM 0 HG12 VAL A 16 12.489 1.197 -8.115 1.00 0.25 H new ATOM 0 HG13 VAL A 16 12.168 0.103 -6.749 1.00 0.25 H new ATOM 0 HG21 VAL A 16 13.338 2.044 -4.625 1.00 0.23 H new ATOM 0 HG22 VAL A 16 13.735 0.309 -4.635 1.00 0.23 H new ATOM 0 HG23 VAL A 16 15.037 1.520 -4.701 1.00 0.23 H new ATOM 242 N THR A 17 16.948 1.197 -6.556 1.00 0.23 N ATOM 243 CA THR A 17 18.255 1.296 -5.942 1.00 0.27 C ATOM 244 C THR A 17 18.145 1.948 -4.566 1.00 0.28 C ATOM 245 O THR A 17 17.199 2.701 -4.300 1.00 0.28 O ATOM 246 CB THR A 17 19.182 2.154 -6.817 1.00 0.35 C ATOM 247 OG1 THR A 17 18.645 2.247 -8.144 1.00 0.77 O ATOM 248 CG2 THR A 17 20.580 1.570 -6.878 1.00 0.56 C ATOM 0 H THR A 17 16.704 1.998 -7.139 1.00 0.23 H new ATOM 0 HA THR A 17 18.663 0.290 -5.841 1.00 0.27 H new ATOM 0 HB THR A 17 19.245 3.146 -6.370 1.00 0.35 H new ATOM 0 HG1 THR A 17 19.237 2.796 -8.699 1.00 0.77 H new ATOM 0 HG21 THR A 17 21.211 2.201 -7.505 1.00 0.56 H new ATOM 0 HG22 THR A 17 20.999 1.523 -5.873 1.00 0.56 H new ATOM 0 HG23 THR A 17 20.537 0.566 -7.300 1.00 0.56 H new ATOM 256 N VAL A 18 19.106 1.667 -3.701 1.00 0.31 N ATOM 257 CA VAL A 18 19.182 2.319 -2.418 1.00 0.35 C ATOM 258 C VAL A 18 19.577 3.741 -2.639 1.00 0.36 C ATOM 259 O VAL A 18 20.710 4.074 -2.988 1.00 0.39 O ATOM 260 CB VAL A 18 20.199 1.704 -1.452 1.00 0.44 C ATOM 261 CG1 VAL A 18 20.200 2.456 -0.128 1.00 0.76 C ATOM 262 CG2 VAL A 18 19.926 0.237 -1.216 1.00 0.78 C ATOM 0 H VAL A 18 19.846 0.986 -3.872 1.00 0.31 H new ATOM 0 HA VAL A 18 18.199 2.208 -1.961 1.00 0.35 H new ATOM 0 HB VAL A 18 21.183 1.792 -1.913 1.00 0.44 H new ATOM 0 HG11 VAL A 18 20.928 2.005 0.546 1.00 0.76 H new ATOM 0 HG12 VAL A 18 20.464 3.499 -0.302 1.00 0.76 H new ATOM 0 HG13 VAL A 18 19.208 2.403 0.321 1.00 0.76 H new ATOM 0 HG21 VAL A 18 20.668 -0.165 -0.526 1.00 0.78 H new ATOM 0 HG22 VAL A 18 18.930 0.116 -0.789 1.00 0.78 H new ATOM 0 HG23 VAL A 18 19.983 -0.301 -2.163 1.00 0.78 H new ATOM 272 N GLY A 19 18.604 4.545 -2.480 1.00 0.38 N ATOM 273 CA GLY A 19 18.793 5.970 -2.557 1.00 0.45 C ATOM 274 C GLY A 19 17.956 6.601 -3.636 1.00 0.40 C ATOM 275 O GLY A 19 18.012 7.812 -3.834 1.00 0.48 O ATOM 0 H GLY A 19 17.645 4.253 -2.292 1.00 0.38 H new ATOM 0 HA2 GLY A 19 18.542 6.420 -1.596 1.00 0.45 H new ATOM 0 HA3 GLY A 19 19.845 6.185 -2.744 1.00 0.45 H new ATOM 279 N GLY A 20 17.179 5.794 -4.353 1.00 0.32 N ATOM 280 CA GLY A 20 16.255 6.344 -5.271 1.00 0.32 C ATOM 281 C GLY A 20 14.955 6.534 -4.594 1.00 0.30 C ATOM 282 O GLY A 20 14.832 7.204 -3.567 1.00 0.44 O ATOM 0 H GLY A 20 17.188 4.775 -4.300 1.00 0.32 H new ATOM 0 HA2 GLY A 20 16.624 7.297 -5.651 1.00 0.32 H new ATOM 0 HA3 GLY A 20 16.139 5.682 -6.129 1.00 0.32 H new ATOM 286 N SER A 21 14.003 5.928 -5.176 1.00 0.24 N ATOM 287 CA SER A 21 12.694 5.904 -4.679 1.00 0.22 C ATOM 288 C SER A 21 11.985 4.651 -5.118 1.00 0.22 C ATOM 289 O SER A 21 12.457 3.910 -5.970 1.00 0.25 O ATOM 290 CB SER A 21 11.964 7.117 -5.167 1.00 0.30 C ATOM 291 OG SER A 21 12.166 7.335 -6.554 1.00 0.82 O ATOM 0 H SER A 21 14.120 5.413 -6.049 1.00 0.24 H new ATOM 0 HA SER A 21 12.721 5.910 -3.589 1.00 0.22 H new ATOM 0 HB2 SER A 21 10.898 7.003 -4.969 1.00 0.30 H new ATOM 0 HB3 SER A 21 12.300 7.991 -4.610 1.00 0.30 H new ATOM 0 HG SER A 21 11.673 8.134 -6.835 1.00 0.82 H new ATOM 297 N ILE A 22 10.856 4.459 -4.527 1.00 0.22 N ATOM 298 CA ILE A 22 9.894 3.496 -4.936 1.00 0.24 C ATOM 299 C ILE A 22 8.536 4.080 -4.666 1.00 0.25 C ATOM 300 O ILE A 22 8.323 4.877 -3.757 1.00 0.27 O ATOM 301 CB ILE A 22 10.057 2.118 -4.268 1.00 0.25 C ATOM 302 CG1 ILE A 22 8.992 1.141 -4.752 1.00 0.29 C ATOM 303 CG2 ILE A 22 10.052 2.194 -2.752 1.00 0.29 C ATOM 304 CD1 ILE A 22 9.131 0.744 -6.205 1.00 0.32 C ATOM 0 H ILE A 22 10.566 4.994 -3.708 1.00 0.22 H new ATOM 0 HA ILE A 22 10.037 3.294 -5.998 1.00 0.24 H new ATOM 0 HB ILE A 22 11.038 1.749 -4.568 1.00 0.25 H new ATOM 0 HG12 ILE A 22 9.032 0.243 -4.136 1.00 0.29 H new ATOM 0 HG13 ILE A 22 8.009 1.588 -4.601 1.00 0.29 H new ATOM 0 HG21 ILE A 22 10.170 1.193 -2.337 1.00 0.29 H new ATOM 0 HG22 ILE A 22 10.875 2.825 -2.417 1.00 0.29 H new ATOM 0 HG23 ILE A 22 9.107 2.618 -2.412 1.00 0.29 H new ATOM 0 HD11 ILE A 22 8.335 0.048 -6.470 1.00 0.32 H new ATOM 0 HD12 ILE A 22 9.060 1.632 -6.833 1.00 0.32 H new ATOM 0 HD13 ILE A 22 10.098 0.266 -6.361 1.00 0.32 H new ATOM 316 N THR A 23 7.651 3.722 -5.496 1.00 0.25 N ATOM 317 CA THR A 23 6.329 4.302 -5.497 1.00 0.23 C ATOM 318 C THR A 23 5.277 3.243 -5.705 1.00 0.24 C ATOM 319 O THR A 23 5.359 2.427 -6.620 1.00 0.28 O ATOM 320 CB THR A 23 6.170 5.384 -6.576 1.00 0.26 C ATOM 321 OG1 THR A 23 7.216 6.358 -6.454 1.00 0.31 O ATOM 322 CG2 THR A 23 4.816 6.077 -6.457 1.00 0.24 C ATOM 0 H THR A 23 7.799 3.012 -6.213 1.00 0.25 H new ATOM 0 HA THR A 23 6.196 4.767 -4.520 1.00 0.23 H new ATOM 0 HB THR A 23 6.232 4.901 -7.551 1.00 0.26 H new ATOM 0 HG1 THR A 23 7.108 7.043 -7.147 1.00 0.31 H new ATOM 0 HG21 THR A 23 4.728 6.839 -7.232 1.00 0.24 H new ATOM 0 HG22 THR A 23 4.020 5.343 -6.578 1.00 0.24 H new ATOM 0 HG23 THR A 23 4.732 6.546 -5.476 1.00 0.24 H new ATOM 330 N PHE A 24 4.302 3.282 -4.842 1.00 0.24 N ATOM 331 CA PHE A 24 3.202 2.362 -4.861 1.00 0.27 C ATOM 332 C PHE A 24 1.891 3.118 -4.880 1.00 0.24 C ATOM 333 O PHE A 24 1.768 4.208 -4.327 1.00 0.30 O ATOM 334 CB PHE A 24 3.254 1.484 -3.626 1.00 0.40 C ATOM 335 CG PHE A 24 4.530 0.712 -3.491 1.00 0.33 C ATOM 336 CD1 PHE A 24 4.857 -0.275 -4.399 1.00 0.46 C ATOM 337 CD2 PHE A 24 5.401 0.975 -2.451 1.00 0.43 C ATOM 338 CE1 PHE A 24 6.030 -0.990 -4.274 1.00 0.53 C ATOM 339 CE2 PHE A 24 6.573 0.267 -2.322 1.00 0.51 C ATOM 340 CZ PHE A 24 6.889 -0.720 -3.234 1.00 0.49 C ATOM 0 H PHE A 24 4.249 3.969 -4.090 1.00 0.24 H new ATOM 0 HA PHE A 24 3.273 1.745 -5.757 1.00 0.27 H new ATOM 0 HB2 PHE A 24 3.121 2.107 -2.742 1.00 0.40 H new ATOM 0 HB3 PHE A 24 2.418 0.785 -3.652 1.00 0.40 H new ATOM 0 HD1 PHE A 24 4.186 -0.490 -5.218 1.00 0.46 H new ATOM 0 HD2 PHE A 24 5.159 1.744 -1.732 1.00 0.43 H new ATOM 0 HE1 PHE A 24 6.273 -1.760 -4.991 1.00 0.53 H new ATOM 0 HE2 PHE A 24 7.247 0.483 -1.506 1.00 0.51 H new ATOM 0 HZ PHE A 24 7.808 -1.278 -3.131 1.00 0.49 H new ATOM 350 N SER A 25 0.929 2.531 -5.527 1.00 0.28 N ATOM 351 CA SER A 25 -0.409 3.048 -5.564 1.00 0.28 C ATOM 352 C SER A 25 -1.392 1.907 -5.371 1.00 0.27 C ATOM 353 O SER A 25 -1.373 0.912 -6.097 1.00 0.31 O ATOM 354 CB SER A 25 -0.681 3.736 -6.887 1.00 0.35 C ATOM 355 OG SER A 25 0.525 3.996 -7.585 1.00 0.58 O ATOM 0 H SER A 25 1.052 1.666 -6.053 1.00 0.28 H new ATOM 0 HA SER A 25 -0.526 3.779 -4.764 1.00 0.28 H new ATOM 0 HB2 SER A 25 -1.331 3.110 -7.499 1.00 0.35 H new ATOM 0 HB3 SER A 25 -1.212 4.672 -6.711 1.00 0.35 H new ATOM 0 HG SER A 25 0.322 4.438 -8.435 1.00 0.58 H new ATOM 361 N ALA A 26 -2.217 2.061 -4.376 1.00 0.26 N ATOM 362 CA ALA A 26 -3.247 1.082 -4.057 1.00 0.26 C ATOM 363 C ALA A 26 -4.627 1.722 -4.148 1.00 0.22 C ATOM 364 O ALA A 26 -4.944 2.647 -3.401 1.00 0.25 O ATOM 365 CB ALA A 26 -3.011 0.486 -2.674 1.00 0.32 C ATOM 0 H ALA A 26 -2.204 2.869 -3.753 1.00 0.26 H new ATOM 0 HA ALA A 26 -3.197 0.271 -4.784 1.00 0.26 H new ATOM 0 HB1 ALA A 26 -3.791 -0.243 -2.454 1.00 0.32 H new ATOM 0 HB2 ALA A 26 -2.038 -0.005 -2.651 1.00 0.32 H new ATOM 0 HB3 ALA A 26 -3.035 1.279 -1.927 1.00 0.32 H new ATOM 371 N ARG A 27 -5.438 1.238 -5.075 1.00 0.22 N ATOM 372 CA ARG A 27 -6.752 1.817 -5.321 1.00 0.25 C ATOM 373 C ARG A 27 -7.839 0.980 -4.672 1.00 0.23 C ATOM 374 O ARG A 27 -7.978 -0.206 -4.971 1.00 0.31 O ATOM 375 CB ARG A 27 -7.019 1.916 -6.819 1.00 0.36 C ATOM 376 CG ARG A 27 -6.295 3.058 -7.502 1.00 0.28 C ATOM 377 CD ARG A 27 -6.482 2.987 -9.012 1.00 0.46 C ATOM 378 NE ARG A 27 -6.222 4.268 -9.672 1.00 1.22 N ATOM 379 CZ ARG A 27 -5.389 4.428 -10.700 1.00 1.55 C ATOM 380 NH1 ARG A 27 -4.667 3.416 -11.152 1.00 1.46 N ATOM 381 NH2 ARG A 27 -5.280 5.612 -11.283 1.00 2.43 N ATOM 0 H ARG A 27 -5.210 0.443 -5.672 1.00 0.22 H new ATOM 0 HA ARG A 27 -6.764 2.816 -4.885 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -6.725 0.979 -7.292 1.00 0.36 H new ATOM 0 HB3 ARG A 27 -8.091 2.032 -6.979 1.00 0.36 H new ATOM 0 HG2 ARG A 27 -6.672 4.010 -7.128 1.00 0.28 H new ATOM 0 HG3 ARG A 27 -5.233 3.019 -7.260 1.00 0.28 H new ATOM 0 HD2 ARG A 27 -5.814 2.229 -9.422 1.00 0.46 H new ATOM 0 HD3 ARG A 27 -7.500 2.668 -9.234 1.00 0.46 H new ATOM 0 HE ARG A 27 -6.711 5.092 -9.322 1.00 1.22 H new ATOM 0 HH11 ARG A 27 -4.744 2.499 -10.713 1.00 1.46 H new ATOM 0 HH12 ARG A 27 -4.034 3.553 -11.940 1.00 1.46 H new ATOM 0 HH21 ARG A 27 -5.833 6.400 -10.945 1.00 2.43 H new ATOM 0 HH22 ARG A 27 -4.643 5.736 -12.070 1.00 2.43 H new ATOM 395 N VAL A 28 -8.614 1.600 -3.798 1.00 0.19 N ATOM 396 CA VAL A 28 -9.664 0.914 -3.098 1.00 0.20 C ATOM 397 C VAL A 28 -10.984 1.605 -3.330 1.00 0.23 C ATOM 398 O VAL A 28 -11.124 2.817 -3.178 1.00 0.24 O ATOM 399 CB VAL A 28 -9.415 0.830 -1.589 1.00 0.22 C ATOM 400 CG1 VAL A 28 -10.430 -0.107 -0.943 1.00 0.26 C ATOM 401 CG2 VAL A 28 -7.992 0.381 -1.315 1.00 0.23 C ATOM 0 H VAL A 28 -8.526 2.588 -3.561 1.00 0.19 H new ATOM 0 HA VAL A 28 -9.685 -0.101 -3.494 1.00 0.20 H new ATOM 0 HB VAL A 28 -9.542 1.819 -1.149 1.00 0.22 H new ATOM 0 HG11 VAL A 28 -10.245 -0.160 0.130 1.00 0.26 H new ATOM 0 HG12 VAL A 28 -11.437 0.271 -1.119 1.00 0.26 H new ATOM 0 HG13 VAL A 28 -10.334 -1.102 -1.377 1.00 0.26 H new ATOM 0 HG21 VAL A 28 -7.829 0.326 -0.239 1.00 0.23 H new ATOM 0 HG22 VAL A 28 -7.829 -0.602 -1.758 1.00 0.23 H new ATOM 0 HG23 VAL A 28 -7.294 1.096 -1.751 1.00 0.23 H new ATOM 411 N ALA A 29 -11.918 0.804 -3.731 1.00 0.29 N ATOM 412 CA ALA A 29 -13.280 1.211 -3.963 1.00 0.32 C ATOM 413 C ALA A 29 -13.910 1.741 -2.697 1.00 0.34 C ATOM 414 O ALA A 29 -14.087 1.017 -1.716 1.00 0.40 O ATOM 415 CB ALA A 29 -14.085 0.041 -4.495 1.00 0.38 C ATOM 0 H ALA A 29 -11.755 -0.186 -3.914 1.00 0.29 H new ATOM 0 HA ALA A 29 -13.277 2.012 -4.702 1.00 0.32 H new ATOM 0 HB1 ALA A 29 -15.114 0.356 -4.668 1.00 0.38 H new ATOM 0 HB2 ALA A 29 -13.649 -0.305 -5.432 1.00 0.38 H new ATOM 0 HB3 ALA A 29 -14.072 -0.771 -3.768 1.00 0.38 H new ATOM 421 N GLY A 30 -14.211 3.018 -2.736 1.00 0.35 N ATOM 422 CA GLY A 30 -15.004 3.637 -1.698 1.00 0.42 C ATOM 423 C GLY A 30 -16.320 2.920 -1.516 1.00 0.50 C ATOM 424 O GLY A 30 -16.853 2.872 -0.416 1.00 0.76 O ATOM 0 H GLY A 30 -13.917 3.652 -3.479 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -14.450 3.629 -0.760 1.00 0.42 H new ATOM 0 HA3 GLY A 30 -15.188 4.681 -1.951 1.00 0.42 H new ATOM 428 N ALA A 31 -16.839 2.386 -2.625 1.00 0.49 N ATOM 429 CA ALA A 31 -17.968 1.460 -2.615 1.00 0.55 C ATOM 430 C ALA A 31 -19.214 2.013 -1.919 1.00 0.64 C ATOM 431 O ALA A 31 -19.312 3.202 -1.603 1.00 0.71 O ATOM 432 CB ALA A 31 -17.532 0.172 -1.941 1.00 0.58 C ATOM 0 H ALA A 31 -16.483 2.587 -3.560 1.00 0.49 H new ATOM 0 HA ALA A 31 -18.255 1.289 -3.653 1.00 0.55 H new ATOM 0 HB1 ALA A 31 -18.365 -0.531 -1.926 1.00 0.58 H new ATOM 0 HB2 ALA A 31 -16.700 -0.264 -2.493 1.00 0.58 H new ATOM 0 HB3 ALA A 31 -17.218 0.384 -0.919 1.00 0.58 H new ATOM 438 N SER A 32 -20.193 1.140 -1.755 1.00 0.85 N ATOM 439 CA SER A 32 -21.298 1.380 -0.853 1.00 0.96 C ATOM 440 C SER A 32 -21.136 0.420 0.317 1.00 1.01 C ATOM 441 O SER A 32 -21.161 -0.802 0.140 1.00 1.69 O ATOM 442 CB SER A 32 -22.638 1.172 -1.557 1.00 1.19 C ATOM 443 OG SER A 32 -23.700 1.713 -0.789 1.00 1.74 O ATOM 0 H SER A 32 -20.241 0.246 -2.245 1.00 0.85 H new ATOM 0 HA SER A 32 -21.291 2.412 -0.504 1.00 0.96 H new ATOM 0 HB2 SER A 32 -22.615 1.645 -2.539 1.00 1.19 H new ATOM 0 HB3 SER A 32 -22.807 0.108 -1.720 1.00 1.19 H new ATOM 0 HG SER A 32 -24.549 1.571 -1.258 1.00 1.74 H new ATOM 449 N LEU A 33 -20.947 0.962 1.505 1.00 0.96 N ATOM 450 CA LEU A 33 -20.423 0.187 2.600 1.00 0.93 C ATOM 451 C LEU A 33 -20.905 0.681 3.961 1.00 0.90 C ATOM 452 O LEU A 33 -21.470 1.771 4.080 1.00 0.98 O ATOM 453 CB LEU A 33 -18.893 0.186 2.517 1.00 0.99 C ATOM 454 CG LEU A 33 -18.123 1.474 2.892 1.00 1.26 C ATOM 455 CD1 LEU A 33 -16.751 1.444 2.261 1.00 2.16 C ATOM 456 CD2 LEU A 33 -18.842 2.754 2.491 1.00 1.95 C ATOM 0 H LEU A 33 -21.150 1.936 1.731 1.00 0.96 H new ATOM 0 HA LEU A 33 -20.800 -0.832 2.508 1.00 0.93 H new ATOM 0 HB2 LEU A 33 -18.529 -0.615 3.160 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -18.619 -0.076 1.495 1.00 0.99 H new ATOM 0 HG LEU A 33 -18.050 1.488 3.979 1.00 1.26 H new ATOM 0 HD11 LEU A 33 -16.209 2.352 2.526 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -16.202 0.575 2.624 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -16.850 1.384 1.177 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -18.243 3.616 2.786 1.00 1.95 H new ATOM 0 HD22 LEU A 33 -18.988 2.766 1.411 1.00 1.95 H new ATOM 0 HD23 LEU A 33 -19.811 2.798 2.989 1.00 1.95 H new ATOM 468 N LEU A 34 -20.684 -0.153 4.974 1.00 0.87 N ATOM 469 CA LEU A 34 -21.066 0.152 6.349 1.00 0.89 C ATOM 470 C LEU A 34 -20.280 1.355 6.852 1.00 0.84 C ATOM 471 O LEU A 34 -20.840 2.415 7.137 1.00 0.95 O ATOM 472 CB LEU A 34 -20.789 -1.064 7.235 1.00 1.01 C ATOM 473 CG LEU A 34 -21.378 -0.998 8.640 1.00 1.22 C ATOM 474 CD1 LEU A 34 -22.871 -1.291 8.602 1.00 1.45 C ATOM 475 CD2 LEU A 34 -20.654 -1.967 9.566 1.00 1.47 C ATOM 0 H LEU A 34 -20.234 -1.062 4.863 1.00 0.87 H new ATOM 0 HA LEU A 34 -22.129 0.389 6.385 1.00 0.89 H new ATOM 0 HB2 LEU A 34 -21.180 -1.951 6.737 1.00 1.01 H new ATOM 0 HB3 LEU A 34 -19.710 -1.194 7.318 1.00 1.01 H new ATOM 0 HG LEU A 34 -21.240 0.010 9.031 1.00 1.22 H new ATOM 0 HD11 LEU A 34 -23.278 -1.240 9.612 1.00 1.45 H new ATOM 0 HD12 LEU A 34 -23.370 -0.555 7.972 1.00 1.45 H new ATOM 0 HD13 LEU A 34 -23.036 -2.288 8.194 1.00 1.45 H new ATOM 0 HD21 LEU A 34 -21.086 -1.908 10.565 1.00 1.47 H new ATOM 0 HD22 LEU A 34 -20.760 -2.983 9.185 1.00 1.47 H new ATOM 0 HD23 LEU A 34 -19.597 -1.705 9.612 1.00 1.47 H new ATOM 487 N LYS A 35 -18.974 1.177 6.947 1.00 0.76 N ATOM 488 CA LYS A 35 -18.061 2.262 7.247 1.00 0.76 C ATOM 489 C LYS A 35 -16.931 2.229 6.230 1.00 0.65 C ATOM 490 O LYS A 35 -16.718 1.187 5.604 1.00 0.75 O ATOM 491 CB LYS A 35 -17.540 2.167 8.697 1.00 0.90 C ATOM 492 CG LYS A 35 -17.030 0.796 9.130 1.00 0.92 C ATOM 493 CD LYS A 35 -15.652 0.485 8.562 1.00 0.90 C ATOM 494 CE LYS A 35 -15.015 -0.712 9.253 1.00 1.00 C ATOM 495 NZ LYS A 35 -14.689 -0.436 10.679 1.00 1.40 N ATOM 0 H LYS A 35 -18.518 0.274 6.818 1.00 0.76 H new ATOM 0 HA LYS A 35 -18.579 3.218 7.174 1.00 0.76 H new ATOM 0 HB2 LYS A 35 -16.734 2.890 8.822 1.00 0.90 H new ATOM 0 HB3 LYS A 35 -18.342 2.465 9.372 1.00 0.90 H new ATOM 0 HG2 LYS A 35 -16.990 0.753 10.218 1.00 0.92 H new ATOM 0 HG3 LYS A 35 -17.735 0.030 8.807 1.00 0.92 H new ATOM 0 HD2 LYS A 35 -15.735 0.286 7.493 1.00 0.90 H new ATOM 0 HD3 LYS A 35 -15.007 1.356 8.675 1.00 0.90 H new ATOM 0 HE2 LYS A 35 -15.693 -1.564 9.196 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -14.105 -0.993 8.723 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -13.988 -1.127 11.015 1.00 1.40 H new ATOM 0 HZ2 LYS A 35 -14.299 0.524 10.766 1.00 1.40 H new ATOM 0 HZ3 LYS A 35 -15.553 -0.512 11.254 1.00 1.40 H new ATOM 509 N PRO A 36 -16.223 3.359 6.023 1.00 0.65 N ATOM 510 CA PRO A 36 -15.141 3.462 5.034 1.00 0.56 C ATOM 511 C PRO A 36 -14.188 2.273 5.091 1.00 0.45 C ATOM 512 O PRO A 36 -13.940 1.716 6.164 1.00 0.47 O ATOM 513 CB PRO A 36 -14.412 4.762 5.415 1.00 0.61 C ATOM 514 CG PRO A 36 -15.023 5.214 6.704 1.00 0.88 C ATOM 515 CD PRO A 36 -16.403 4.625 6.739 1.00 0.88 C ATOM 0 HA PRO A 36 -15.527 3.467 4.015 1.00 0.56 H new ATOM 0 HB2 PRO A 36 -13.342 4.590 5.529 1.00 0.61 H new ATOM 0 HB3 PRO A 36 -14.532 5.519 4.640 1.00 0.61 H new ATOM 0 HG2 PRO A 36 -14.433 4.875 7.555 1.00 0.88 H new ATOM 0 HG3 PRO A 36 -15.062 6.302 6.756 1.00 0.88 H new ATOM 0 HD2 PRO A 36 -16.752 4.468 7.760 1.00 0.88 H new ATOM 0 HD3 PRO A 36 -17.132 5.269 6.248 1.00 0.88 H new ATOM 523 N PRO A 37 -13.631 1.868 3.939 1.00 0.40 N ATOM 524 CA PRO A 37 -12.791 0.685 3.873 1.00 0.35 C ATOM 525 C PRO A 37 -11.553 0.845 4.722 1.00 0.32 C ATOM 526 O PRO A 37 -10.891 1.885 4.700 1.00 0.36 O ATOM 527 CB PRO A 37 -12.391 0.552 2.409 1.00 0.40 C ATOM 528 CG PRO A 37 -13.112 1.627 1.652 1.00 0.53 C ATOM 529 CD PRO A 37 -13.731 2.567 2.648 1.00 0.47 C ATOM 0 HA PRO A 37 -13.322 -0.192 4.245 1.00 0.35 H new ATOM 0 HB2 PRO A 37 -11.312 0.658 2.294 1.00 0.40 H new ATOM 0 HB3 PRO A 37 -12.657 -0.433 2.026 1.00 0.40 H new ATOM 0 HG2 PRO A 37 -12.421 2.163 1.002 1.00 0.53 H new ATOM 0 HG3 PRO A 37 -13.879 1.192 1.012 1.00 0.53 H new ATOM 0 HD2 PRO A 37 -13.203 3.520 2.673 1.00 0.47 H new ATOM 0 HD3 PRO A 37 -14.769 2.784 2.395 1.00 0.47 H new ATOM 537 N VAL A 38 -11.240 -0.191 5.458 1.00 0.29 N ATOM 538 CA VAL A 38 -10.070 -0.189 6.276 1.00 0.27 C ATOM 539 C VAL A 38 -9.025 -0.921 5.520 1.00 0.22 C ATOM 540 O VAL A 38 -9.042 -2.140 5.391 1.00 0.20 O ATOM 541 CB VAL A 38 -10.235 -0.886 7.622 1.00 0.31 C ATOM 542 CG1 VAL A 38 -9.229 -0.346 8.628 1.00 0.72 C ATOM 543 CG2 VAL A 38 -11.654 -0.774 8.146 1.00 0.77 C ATOM 0 H VAL A 38 -11.789 -1.050 5.502 1.00 0.29 H new ATOM 0 HA VAL A 38 -9.826 0.851 6.494 1.00 0.27 H new ATOM 0 HB VAL A 38 -10.036 -1.947 7.474 1.00 0.31 H new ATOM 0 HG11 VAL A 38 -9.361 -0.854 9.583 1.00 0.72 H new ATOM 0 HG12 VAL A 38 -8.218 -0.520 8.261 1.00 0.72 H new ATOM 0 HG13 VAL A 38 -9.387 0.724 8.762 1.00 0.72 H new ATOM 0 HG21 VAL A 38 -11.728 -1.284 9.107 1.00 0.77 H new ATOM 0 HG22 VAL A 38 -11.913 0.277 8.272 1.00 0.77 H new ATOM 0 HG23 VAL A 38 -12.341 -1.235 7.437 1.00 0.77 H new ATOM 553 N VAL A 39 -8.153 -0.162 5.008 1.00 0.22 N ATOM 554 CA VAL A 39 -7.050 -0.666 4.275 1.00 0.21 C ATOM 555 C VAL A 39 -5.822 -0.468 5.103 1.00 0.20 C ATOM 556 O VAL A 39 -5.410 0.656 5.394 1.00 0.23 O ATOM 557 CB VAL A 39 -6.827 0.066 2.956 1.00 0.24 C ATOM 558 CG1 VAL A 39 -6.016 -0.787 2.000 1.00 0.28 C ATOM 559 CG2 VAL A 39 -8.137 0.521 2.337 1.00 0.24 C ATOM 0 H VAL A 39 -8.175 0.855 5.082 1.00 0.22 H new ATOM 0 HA VAL A 39 -7.255 -1.713 4.052 1.00 0.21 H new ATOM 0 HB VAL A 39 -6.252 0.968 3.166 1.00 0.24 H new ATOM 0 HG11 VAL A 39 -5.868 -0.246 1.065 1.00 0.28 H new ATOM 0 HG12 VAL A 39 -5.047 -1.012 2.446 1.00 0.28 H new ATOM 0 HG13 VAL A 39 -6.549 -1.717 1.801 1.00 0.28 H new ATOM 0 HG21 VAL A 39 -7.936 1.038 1.399 1.00 0.24 H new ATOM 0 HG22 VAL A 39 -8.769 -0.346 2.145 1.00 0.24 H new ATOM 0 HG23 VAL A 39 -8.648 1.198 3.022 1.00 0.24 H new ATOM 569 N LYS A 40 -5.270 -1.557 5.482 1.00 0.19 N ATOM 570 CA LYS A 40 -4.061 -1.580 6.219 1.00 0.20 C ATOM 571 C LYS A 40 -2.933 -2.015 5.352 1.00 0.19 C ATOM 572 O LYS A 40 -2.965 -3.031 4.658 1.00 0.21 O ATOM 573 CB LYS A 40 -4.180 -2.472 7.437 1.00 0.26 C ATOM 574 CG LYS A 40 -4.577 -3.904 7.117 1.00 0.31 C ATOM 575 CD LYS A 40 -3.363 -4.828 7.036 1.00 0.37 C ATOM 576 CE LYS A 40 -3.005 -5.383 8.402 1.00 0.86 C ATOM 577 NZ LYS A 40 -3.988 -6.401 8.855 1.00 1.54 N ATOM 0 H LYS A 40 -5.654 -2.481 5.285 1.00 0.19 H new ATOM 0 HA LYS A 40 -3.857 -0.568 6.569 1.00 0.20 H new ATOM 0 HB2 LYS A 40 -3.226 -2.479 7.964 1.00 0.26 H new ATOM 0 HB3 LYS A 40 -4.917 -2.045 8.117 1.00 0.26 H new ATOM 0 HG2 LYS A 40 -5.261 -4.270 7.882 1.00 0.31 H new ATOM 0 HG3 LYS A 40 -5.115 -3.928 6.170 1.00 0.31 H new ATOM 0 HD2 LYS A 40 -3.572 -5.649 6.350 1.00 0.37 H new ATOM 0 HD3 LYS A 40 -2.513 -4.281 6.628 1.00 0.37 H new ATOM 0 HE2 LYS A 40 -2.011 -5.828 8.365 1.00 0.86 H new ATOM 0 HE3 LYS A 40 -2.963 -4.569 9.126 1.00 0.86 H new ATOM 0 HZ1 LYS A 40 -4.288 -6.186 9.827 1.00 1.54 H new ATOM 0 HZ2 LYS A 40 -4.816 -6.388 8.226 1.00 1.54 H new ATOM 0 HZ3 LYS A 40 -3.549 -7.343 8.829 1.00 1.54 H new ATOM 591 N TRP A 41 -1.981 -1.173 5.363 1.00 0.18 N ATOM 592 CA TRP A 41 -0.747 -1.395 4.682 1.00 0.19 C ATOM 593 C TRP A 41 0.264 -2.115 5.537 1.00 0.21 C ATOM 594 O TRP A 41 0.214 -2.095 6.769 1.00 0.28 O ATOM 595 CB TRP A 41 -0.168 -0.073 4.277 1.00 0.21 C ATOM 596 CG TRP A 41 -0.884 0.565 3.166 1.00 0.21 C ATOM 597 CD1 TRP A 41 -1.976 1.365 3.247 1.00 0.23 C ATOM 598 CD2 TRP A 41 -0.564 0.431 1.794 1.00 0.23 C ATOM 599 NE1 TRP A 41 -2.313 1.803 1.986 1.00 0.24 N ATOM 600 CE2 TRP A 41 -1.465 1.223 1.081 1.00 0.23 C ATOM 601 CE3 TRP A 41 0.419 -0.273 1.103 1.00 0.29 C ATOM 602 CZ2 TRP A 41 -1.416 1.325 -0.297 1.00 0.27 C ATOM 603 CZ3 TRP A 41 0.460 -0.177 -0.268 1.00 0.34 C ATOM 604 CH2 TRP A 41 -0.454 0.623 -0.955 1.00 0.33 C ATOM 0 H TRP A 41 -2.026 -0.281 5.856 1.00 0.18 H new ATOM 0 HA TRP A 41 -0.962 -2.021 3.816 1.00 0.19 H new ATOM 0 HB2 TRP A 41 -0.177 0.597 5.137 1.00 0.21 H new ATOM 0 HB3 TRP A 41 0.875 -0.214 3.993 1.00 0.21 H new ATOM 0 HD1 TRP A 41 -2.499 1.619 4.157 1.00 0.23 H new ATOM 0 HE1 TRP A 41 -3.068 2.451 1.763 1.00 0.24 H new ATOM 0 HE3 TRP A 41 1.135 -0.883 1.634 1.00 0.29 H new ATOM 0 HZ2 TRP A 41 -2.120 1.943 -0.835 1.00 0.27 H new ATOM 0 HZ3 TRP A 41 1.208 -0.727 -0.820 1.00 0.34 H new ATOM 0 HH2 TRP A 41 -0.397 0.686 -2.032 1.00 0.33 H new ATOM 615 N PHE A 42 1.179 -2.736 4.842 1.00 0.21 N ATOM 616 CA PHE A 42 2.385 -3.253 5.420 1.00 0.23 C ATOM 617 C PHE A 42 3.472 -2.878 4.450 1.00 0.26 C ATOM 618 O PHE A 42 3.282 -2.970 3.240 1.00 0.34 O ATOM 619 CB PHE A 42 2.342 -4.770 5.628 1.00 0.26 C ATOM 620 CG PHE A 42 3.428 -5.276 6.540 1.00 0.30 C ATOM 621 CD1 PHE A 42 3.249 -5.300 7.915 1.00 0.49 C ATOM 622 CD2 PHE A 42 4.625 -5.743 6.018 1.00 0.37 C ATOM 623 CE1 PHE A 42 4.244 -5.773 8.753 1.00 0.62 C ATOM 624 CE2 PHE A 42 5.623 -6.218 6.851 1.00 0.50 C ATOM 625 CZ PHE A 42 5.440 -6.186 8.235 1.00 0.60 C ATOM 0 H PHE A 42 1.103 -2.899 3.838 1.00 0.21 H new ATOM 0 HA PHE A 42 2.545 -2.838 6.415 1.00 0.23 H new ATOM 0 HB2 PHE A 42 1.372 -5.046 6.041 1.00 0.26 H new ATOM 0 HB3 PHE A 42 2.429 -5.265 4.661 1.00 0.26 H new ATOM 0 HD1 PHE A 42 2.321 -4.945 8.338 1.00 0.49 H new ATOM 0 HD2 PHE A 42 4.780 -5.736 4.949 1.00 0.37 H new ATOM 0 HE1 PHE A 42 4.075 -5.816 9.819 1.00 0.62 H new ATOM 0 HE2 PHE A 42 6.538 -6.611 6.433 1.00 0.50 H new ATOM 0 HZ PHE A 42 6.241 -6.487 8.894 1.00 0.60 H new ATOM 635 N LYS A 43 4.566 -2.407 4.965 1.00 0.28 N ATOM 636 CA LYS A 43 5.620 -1.880 4.147 1.00 0.31 C ATOM 637 C LYS A 43 6.796 -2.833 4.286 1.00 0.39 C ATOM 638 O LYS A 43 6.872 -3.470 5.317 1.00 0.81 O ATOM 639 CB LYS A 43 5.964 -0.426 4.563 1.00 0.40 C ATOM 640 CG LYS A 43 7.329 0.048 4.107 1.00 0.54 C ATOM 641 CD LYS A 43 7.755 1.341 4.762 1.00 0.67 C ATOM 642 CE LYS A 43 8.904 1.958 3.993 1.00 1.29 C ATOM 643 NZ LYS A 43 9.936 0.948 3.625 1.00 2.17 N ATOM 0 H LYS A 43 4.756 -2.376 5.967 1.00 0.28 H new ATOM 0 HA LYS A 43 5.326 -1.816 3.099 1.00 0.31 H new ATOM 0 HB2 LYS A 43 5.206 0.244 4.158 1.00 0.40 H new ATOM 0 HB3 LYS A 43 5.910 -0.349 5.649 1.00 0.40 H new ATOM 0 HG2 LYS A 43 8.067 -0.724 4.326 1.00 0.54 H new ATOM 0 HG3 LYS A 43 7.318 0.182 3.025 1.00 0.54 H new ATOM 0 HD2 LYS A 43 6.915 2.035 4.796 1.00 0.67 H new ATOM 0 HD3 LYS A 43 8.056 1.154 5.793 1.00 0.67 H new ATOM 0 HE2 LYS A 43 8.522 2.432 3.089 1.00 1.29 H new ATOM 0 HE3 LYS A 43 9.363 2.743 4.595 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 10.751 1.427 3.191 1.00 2.17 H new ATOM 0 HZ2 LYS A 43 10.247 0.442 4.479 1.00 2.17 H new ATOM 0 HZ3 LYS A 43 9.532 0.269 2.948 1.00 2.17 H new ATOM 657 N GLY A 44 7.754 -2.758 3.344 1.00 0.64 N ATOM 658 CA GLY A 44 8.939 -3.650 3.218 1.00 0.92 C ATOM 659 C GLY A 44 9.177 -4.704 4.289 1.00 0.39 C ATOM 660 O GLY A 44 8.258 -5.227 4.836 1.00 1.23 O ATOM 0 H GLY A 44 7.729 -2.046 2.614 1.00 0.64 H new ATOM 0 HA2 GLY A 44 8.866 -4.164 2.259 1.00 0.92 H new ATOM 0 HA3 GLY A 44 9.826 -3.018 3.174 1.00 0.92 H new ATOM 664 N LYS A 45 10.355 -5.289 4.266 1.00 0.85 N ATOM 665 CA LYS A 45 10.648 -6.514 5.021 1.00 1.06 C ATOM 666 C LYS A 45 10.135 -6.556 6.483 1.00 0.74 C ATOM 667 O LYS A 45 10.176 -7.621 7.099 1.00 0.82 O ATOM 668 CB LYS A 45 12.165 -6.705 5.038 1.00 1.67 C ATOM 669 CG LYS A 45 12.662 -7.794 4.104 1.00 2.44 C ATOM 670 CD LYS A 45 14.186 -7.845 4.064 1.00 2.82 C ATOM 671 CE LYS A 45 14.807 -7.855 5.458 1.00 2.98 C ATOM 672 NZ LYS A 45 14.459 -9.077 6.229 1.00 3.87 N ATOM 0 H LYS A 45 11.146 -4.937 3.726 1.00 0.85 H new ATOM 0 HA LYS A 45 10.109 -7.310 4.507 1.00 1.06 H new ATOM 0 HB2 LYS A 45 12.642 -5.763 4.767 1.00 1.67 H new ATOM 0 HB3 LYS A 45 12.480 -6.941 6.055 1.00 1.67 H new ATOM 0 HG2 LYS A 45 12.273 -8.759 4.429 1.00 2.44 H new ATOM 0 HG3 LYS A 45 12.277 -7.617 3.100 1.00 2.44 H new ATOM 0 HD2 LYS A 45 14.502 -8.736 3.522 1.00 2.82 H new ATOM 0 HD3 LYS A 45 14.561 -6.985 3.509 1.00 2.82 H new ATOM 0 HE2 LYS A 45 15.891 -7.782 5.370 1.00 2.98 H new ATOM 0 HE3 LYS A 45 14.472 -6.975 6.007 1.00 2.98 H new ATOM 0 HZ1 LYS A 45 14.905 -9.034 7.167 1.00 3.87 H new ATOM 0 HZ2 LYS A 45 13.426 -9.136 6.339 1.00 3.87 H new ATOM 0 HZ3 LYS A 45 14.801 -9.917 5.721 1.00 3.87 H new ATOM 686 N TRP A 46 9.630 -5.450 7.045 1.00 0.58 N ATOM 687 CA TRP A 46 9.224 -5.452 8.452 1.00 0.57 C ATOM 688 C TRP A 46 8.401 -4.240 8.889 1.00 0.63 C ATOM 689 O TRP A 46 7.957 -4.169 10.032 1.00 0.74 O ATOM 690 CB TRP A 46 10.464 -5.453 9.296 1.00 0.76 C ATOM 691 CG TRP A 46 11.493 -4.474 8.816 1.00 0.97 C ATOM 692 CD1 TRP A 46 12.438 -4.680 7.855 1.00 1.19 C ATOM 693 CD2 TRP A 46 11.660 -3.130 9.263 1.00 1.27 C ATOM 694 NE1 TRP A 46 13.172 -3.541 7.663 1.00 1.38 N ATOM 695 CE2 TRP A 46 12.717 -2.571 8.521 1.00 1.42 C ATOM 696 CE3 TRP A 46 11.011 -2.343 10.216 1.00 1.66 C ATOM 697 CZ2 TRP A 46 13.136 -1.257 8.708 1.00 1.78 C ATOM 698 CZ3 TRP A 46 11.427 -1.043 10.400 1.00 2.10 C ATOM 699 CH2 TRP A 46 12.475 -0.509 9.649 1.00 2.11 C ATOM 0 H TRP A 46 9.496 -4.563 6.559 1.00 0.58 H new ATOM 0 HA TRP A 46 8.595 -6.334 8.577 1.00 0.57 H new ATOM 0 HB2 TRP A 46 10.197 -5.217 10.326 1.00 0.76 H new ATOM 0 HB3 TRP A 46 10.895 -6.454 9.300 1.00 0.76 H new ATOM 0 HD1 TRP A 46 12.586 -5.608 7.322 1.00 1.19 H new ATOM 0 HE1 TRP A 46 13.933 -3.431 6.992 1.00 1.38 H new ATOM 0 HE3 TRP A 46 10.197 -2.747 10.799 1.00 1.66 H new ATOM 0 HZ2 TRP A 46 13.951 -0.842 8.134 1.00 1.78 H new ATOM 0 HZ3 TRP A 46 10.934 -0.427 11.137 1.00 2.10 H new ATOM 0 HH2 TRP A 46 12.772 0.516 9.812 1.00 2.11 H new ATOM 710 N VAL A 47 8.202 -3.309 8.002 1.00 0.63 N ATOM 711 CA VAL A 47 7.773 -2.002 8.349 1.00 0.74 C ATOM 712 C VAL A 47 6.274 -1.858 8.341 1.00 0.59 C ATOM 713 O VAL A 47 5.558 -2.292 7.447 1.00 0.57 O ATOM 714 CB VAL A 47 8.370 -0.943 7.419 1.00 0.90 C ATOM 715 CG1 VAL A 47 9.105 0.087 8.232 1.00 1.20 C ATOM 716 CG2 VAL A 47 9.312 -1.546 6.385 1.00 1.29 C ATOM 0 H VAL A 47 8.338 -3.448 7.001 1.00 0.63 H new ATOM 0 HA VAL A 47 8.132 -1.843 9.366 1.00 0.74 H new ATOM 0 HB VAL A 47 7.545 -0.479 6.879 1.00 0.90 H new ATOM 0 HG11 VAL A 47 9.529 0.840 7.568 1.00 1.20 H new ATOM 0 HG12 VAL A 47 8.413 0.564 8.926 1.00 1.20 H new ATOM 0 HG13 VAL A 47 9.906 -0.395 8.792 1.00 1.20 H new ATOM 0 HG21 VAL A 47 9.709 -0.755 5.749 1.00 1.29 H new ATOM 0 HG22 VAL A 47 10.134 -2.051 6.892 1.00 1.29 H new ATOM 0 HG23 VAL A 47 8.768 -2.265 5.772 1.00 1.29 H new ATOM 726 N ASP A 48 5.846 -1.222 9.369 1.00 0.60 N ATOM 727 CA ASP A 48 4.468 -0.878 9.584 1.00 0.56 C ATOM 728 C ASP A 48 4.206 0.590 9.320 1.00 0.58 C ATOM 729 O ASP A 48 4.414 1.433 10.180 1.00 0.96 O ATOM 730 CB ASP A 48 4.086 -1.192 11.002 1.00 0.73 C ATOM 731 CG ASP A 48 5.190 -0.942 12.016 1.00 1.88 C ATOM 732 OD1 ASP A 48 5.313 0.195 12.511 1.00 2.22 O ATOM 733 OD2 ASP A 48 5.956 -1.880 12.305 1.00 2.73 O ATOM 0 H ASP A 48 6.462 -0.909 10.120 1.00 0.60 H new ATOM 0 HA ASP A 48 3.870 -1.464 8.886 1.00 0.56 H new ATOM 0 HB2 ASP A 48 3.217 -0.593 11.273 1.00 0.73 H new ATOM 0 HB3 ASP A 48 3.784 -2.237 11.062 1.00 0.73 H new ATOM 738 N LEU A 49 3.687 0.877 8.147 1.00 0.39 N ATOM 739 CA LEU A 49 3.581 2.248 7.662 1.00 0.35 C ATOM 740 C LEU A 49 2.908 3.203 8.634 1.00 0.41 C ATOM 741 O LEU A 49 3.376 4.317 8.783 1.00 0.44 O ATOM 742 CB LEU A 49 2.831 2.322 6.336 1.00 0.29 C ATOM 743 CG LEU A 49 3.471 1.632 5.135 1.00 0.25 C ATOM 744 CD1 LEU A 49 2.888 0.272 4.895 1.00 0.36 C ATOM 745 CD2 LEU A 49 3.256 2.426 3.885 1.00 0.28 C ATOM 0 H LEU A 49 3.326 0.176 7.500 1.00 0.39 H new ATOM 0 HA LEU A 49 4.617 2.564 7.538 1.00 0.35 H new ATOM 0 HB2 LEU A 49 1.840 1.893 6.484 1.00 0.29 H new ATOM 0 HB3 LEU A 49 2.689 3.373 6.086 1.00 0.29 H new ATOM 0 HG LEU A 49 4.533 1.548 5.367 1.00 0.25 H new ATOM 0 HD11 LEU A 49 3.372 -0.184 4.031 1.00 0.36 H new ATOM 0 HD12 LEU A 49 3.049 -0.353 5.773 1.00 0.36 H new ATOM 0 HD13 LEU A 49 1.818 0.363 4.706 1.00 0.36 H new ATOM 0 HD21 LEU A 49 3.722 1.913 3.044 1.00 0.28 H new ATOM 0 HD22 LEU A 49 2.187 2.531 3.700 1.00 0.28 H new ATOM 0 HD23 LEU A 49 3.703 3.414 4.000 1.00 0.28 H new ATOM 757 N SER A 50 1.877 2.762 9.336 1.00 0.48 N ATOM 758 CA SER A 50 1.001 3.665 10.060 1.00 0.58 C ATOM 759 C SER A 50 1.815 4.476 11.039 1.00 0.62 C ATOM 760 O SER A 50 1.419 5.566 11.453 1.00 0.70 O ATOM 761 CB SER A 50 -0.093 2.880 10.792 1.00 0.73 C ATOM 762 OG SER A 50 -1.027 3.748 11.413 1.00 1.23 O ATOM 0 H SER A 50 1.626 1.777 9.419 1.00 0.48 H new ATOM 0 HA SER A 50 0.517 4.338 9.352 1.00 0.58 H new ATOM 0 HB2 SER A 50 -0.611 2.231 10.086 1.00 0.73 H new ATOM 0 HB3 SER A 50 0.362 2.235 11.544 1.00 0.73 H new ATOM 0 HG SER A 50 -1.713 3.218 11.870 1.00 1.23 H new ATOM 768 N SER A 51 2.975 3.942 11.390 1.00 0.64 N ATOM 769 CA SER A 51 3.822 4.614 12.304 1.00 0.75 C ATOM 770 C SER A 51 4.968 5.362 11.620 1.00 0.72 C ATOM 771 O SER A 51 5.457 6.371 12.126 1.00 0.85 O ATOM 772 CB SER A 51 4.357 3.638 13.335 1.00 0.90 C ATOM 773 OG SER A 51 3.355 3.288 14.278 1.00 1.34 O ATOM 0 H SER A 51 3.331 3.050 11.047 1.00 0.64 H new ATOM 0 HA SER A 51 3.216 5.371 12.801 1.00 0.75 H new ATOM 0 HB2 SER A 51 4.720 2.740 12.836 1.00 0.90 H new ATOM 0 HB3 SER A 51 5.208 4.081 13.852 1.00 0.90 H new ATOM 0 HG SER A 51 3.725 2.657 14.930 1.00 1.34 H new ATOM 779 N LYS A 52 5.386 4.860 10.474 1.00 0.62 N ATOM 780 CA LYS A 52 6.579 5.342 9.802 1.00 0.66 C ATOM 781 C LYS A 52 6.257 6.474 8.836 1.00 0.67 C ATOM 782 O LYS A 52 7.035 7.410 8.674 1.00 1.09 O ATOM 783 CB LYS A 52 7.236 4.200 9.023 1.00 0.65 C ATOM 784 CG LYS A 52 6.848 2.784 9.445 1.00 0.70 C ATOM 785 CD LYS A 52 7.038 2.493 10.939 1.00 0.78 C ATOM 786 CE LYS A 52 8.474 2.163 11.300 1.00 1.02 C ATOM 787 NZ LYS A 52 8.600 1.793 12.738 1.00 1.40 N ATOM 0 H LYS A 52 4.908 4.106 9.981 1.00 0.62 H new ATOM 0 HA LYS A 52 7.258 5.718 10.567 1.00 0.66 H new ATOM 0 HB2 LYS A 52 6.993 4.321 7.967 1.00 0.65 H new ATOM 0 HB3 LYS A 52 8.317 4.301 9.115 1.00 0.65 H new ATOM 0 HG2 LYS A 52 5.803 2.614 9.184 1.00 0.70 H new ATOM 0 HG3 LYS A 52 7.440 2.072 8.870 1.00 0.70 H new ATOM 0 HD2 LYS A 52 6.714 3.359 11.516 1.00 0.78 H new ATOM 0 HD3 LYS A 52 6.396 1.660 11.226 1.00 0.78 H new ATOM 0 HE2 LYS A 52 8.828 1.340 10.678 1.00 1.02 H new ATOM 0 HE3 LYS A 52 9.111 3.021 11.086 1.00 1.02 H new ATOM 0 HZ1 LYS A 52 9.593 1.573 12.954 1.00 1.40 H new ATOM 0 HZ2 LYS A 52 8.285 2.588 13.330 1.00 1.40 H new ATOM 0 HZ3 LYS A 52 8.010 0.960 12.935 1.00 1.40 H new ATOM 801 N VAL A 53 5.133 6.292 8.162 1.00 0.34 N ATOM 802 CA VAL A 53 4.539 7.214 7.209 1.00 0.32 C ATOM 803 C VAL A 53 4.810 8.653 7.561 1.00 0.33 C ATOM 804 O VAL A 53 4.149 9.284 8.392 1.00 0.37 O ATOM 805 CB VAL A 53 3.029 6.921 7.084 1.00 0.32 C ATOM 806 CG1 VAL A 53 2.265 7.982 6.314 1.00 0.34 C ATOM 807 CG2 VAL A 53 2.835 5.592 6.407 1.00 0.35 C ATOM 0 H VAL A 53 4.577 5.444 8.273 1.00 0.34 H new ATOM 0 HA VAL A 53 5.007 7.056 6.237 1.00 0.32 H new ATOM 0 HB VAL A 53 2.629 6.915 8.098 1.00 0.32 H new ATOM 0 HG11 VAL A 53 1.211 7.709 6.267 1.00 0.34 H new ATOM 0 HG12 VAL A 53 2.369 8.943 6.818 1.00 0.34 H new ATOM 0 HG13 VAL A 53 2.666 8.057 5.303 1.00 0.34 H new ATOM 0 HG21 VAL A 53 1.769 5.382 6.317 1.00 0.35 H new ATOM 0 HG22 VAL A 53 3.284 5.620 5.414 1.00 0.35 H new ATOM 0 HG23 VAL A 53 3.311 4.810 6.998 1.00 0.35 H new ATOM 817 N GLY A 54 5.852 9.116 6.929 1.00 0.35 N ATOM 818 CA GLY A 54 6.311 10.476 7.113 1.00 0.41 C ATOM 819 C GLY A 54 7.092 11.026 5.934 1.00 0.44 C ATOM 820 O GLY A 54 6.514 11.378 4.913 1.00 0.70 O ATOM 0 H GLY A 54 6.409 8.569 6.273 1.00 0.35 H new ATOM 0 HA2 GLY A 54 5.450 11.118 7.297 1.00 0.41 H new ATOM 0 HA3 GLY A 54 6.938 10.520 8.004 1.00 0.41 H new ATOM 824 N GLN A 55 8.411 11.084 6.070 1.00 0.36 N ATOM 825 CA GLN A 55 9.242 11.822 5.122 1.00 0.43 C ATOM 826 C GLN A 55 9.819 10.935 4.015 1.00 0.39 C ATOM 827 O GLN A 55 10.001 11.392 2.889 1.00 0.50 O ATOM 828 CB GLN A 55 10.363 12.547 5.866 1.00 0.61 C ATOM 829 CG GLN A 55 9.850 13.573 6.861 1.00 1.43 C ATOM 830 CD GLN A 55 10.961 14.349 7.532 1.00 2.08 C ATOM 831 OE1 GLN A 55 11.458 13.965 8.591 1.00 2.75 O ATOM 832 NE2 GLN A 55 11.354 15.447 6.915 1.00 2.69 N ATOM 0 H GLN A 55 8.928 10.631 6.824 1.00 0.36 H new ATOM 0 HA GLN A 55 8.596 12.549 4.630 1.00 0.43 H new ATOM 0 HB2 GLN A 55 10.975 11.814 6.392 1.00 0.61 H new ATOM 0 HB3 GLN A 55 11.010 13.043 5.142 1.00 0.61 H new ATOM 0 HG2 GLN A 55 9.186 14.269 6.348 1.00 1.43 H new ATOM 0 HG3 GLN A 55 9.255 13.068 7.622 1.00 1.43 H new ATOM 0 HE21 GLN A 55 10.912 15.726 6.039 1.00 2.69 H new ATOM 0 HE22 GLN A 55 12.100 16.017 7.314 1.00 2.69 H new ATOM 841 N HIS A 56 10.120 9.679 4.317 1.00 0.36 N ATOM 842 CA HIS A 56 10.645 8.778 3.287 1.00 0.41 C ATOM 843 C HIS A 56 9.539 7.911 2.714 1.00 0.35 C ATOM 844 O HIS A 56 9.517 7.598 1.537 1.00 0.42 O ATOM 845 CB HIS A 56 11.787 7.906 3.820 1.00 0.54 C ATOM 846 CG HIS A 56 11.426 6.990 4.948 1.00 0.58 C ATOM 847 ND1 HIS A 56 10.664 5.858 4.777 1.00 0.87 N ATOM 848 CD2 HIS A 56 11.734 7.039 6.264 1.00 1.06 C ATOM 849 CE1 HIS A 56 10.510 5.253 5.937 1.00 1.11 C ATOM 850 NE2 HIS A 56 11.153 5.944 6.861 1.00 1.33 N ATOM 0 H HIS A 56 10.015 9.263 5.243 1.00 0.36 H new ATOM 0 HA HIS A 56 11.050 9.401 2.489 1.00 0.41 H new ATOM 0 HB2 HIS A 56 12.177 7.306 2.998 1.00 0.54 H new ATOM 0 HB3 HIS A 56 12.596 8.558 4.149 1.00 0.54 H new ATOM 0 HD2 HIS A 56 12.326 7.797 6.755 1.00 1.06 H new ATOM 0 HE1 HIS A 56 9.951 4.344 6.105 1.00 1.11 H new ATOM 0 HE2 HIS A 56 11.209 5.706 7.851 1.00 1.33 H new ATOM 859 N LEU A 57 8.635 7.532 3.577 1.00 0.28 N ATOM 860 CA LEU A 57 7.446 6.799 3.211 1.00 0.25 C ATOM 861 C LEU A 57 6.277 7.670 3.588 1.00 0.23 C ATOM 862 O LEU A 57 5.969 7.818 4.753 1.00 0.29 O ATOM 863 CB LEU A 57 7.454 5.441 3.985 1.00 0.38 C ATOM 864 CG LEU A 57 6.180 4.558 4.116 1.00 0.28 C ATOM 865 CD1 LEU A 57 5.858 4.363 5.582 1.00 1.11 C ATOM 866 CD2 LEU A 57 4.969 5.092 3.361 1.00 1.10 C ATOM 0 H LEU A 57 8.703 7.727 4.576 1.00 0.28 H new ATOM 0 HA LEU A 57 7.390 6.568 2.147 1.00 0.25 H new ATOM 0 HB2 LEU A 57 8.220 4.820 3.521 1.00 0.38 H new ATOM 0 HB3 LEU A 57 7.791 5.659 4.999 1.00 0.38 H new ATOM 0 HG LEU A 57 6.408 3.602 3.645 1.00 0.28 H new ATOM 0 HD11 LEU A 57 4.966 3.745 5.679 1.00 1.11 H new ATOM 0 HD12 LEU A 57 6.696 3.871 6.076 1.00 1.11 H new ATOM 0 HD13 LEU A 57 5.680 5.332 6.048 1.00 1.11 H new ATOM 0 HD21 LEU A 57 4.124 4.418 3.505 1.00 1.10 H new ATOM 0 HD22 LEU A 57 4.712 6.082 3.739 1.00 1.10 H new ATOM 0 HD23 LEU A 57 5.203 5.159 2.299 1.00 1.10 H new ATOM 878 N GLN A 58 5.648 8.248 2.598 1.00 0.20 N ATOM 879 CA GLN A 58 4.377 8.840 2.768 1.00 0.21 C ATOM 880 C GLN A 58 3.373 7.850 2.254 1.00 0.18 C ATOM 881 O GLN A 58 3.345 7.521 1.075 1.00 0.19 O ATOM 882 CB GLN A 58 4.252 10.132 1.964 1.00 0.27 C ATOM 883 CG GLN A 58 5.385 11.120 2.161 1.00 0.46 C ATOM 884 CD GLN A 58 6.573 10.888 1.248 1.00 0.32 C ATOM 885 OE1 GLN A 58 6.598 11.370 0.116 1.00 0.76 O ATOM 886 NE2 GLN A 58 7.583 10.198 1.742 1.00 0.28 N ATOM 0 H GLN A 58 6.019 8.314 1.650 1.00 0.20 H new ATOM 0 HA GLN A 58 4.219 9.087 3.818 1.00 0.21 H new ATOM 0 HB2 GLN A 58 4.190 9.879 0.906 1.00 0.27 H new ATOM 0 HB3 GLN A 58 3.314 10.619 2.231 1.00 0.27 H new ATOM 0 HG2 GLN A 58 5.006 12.129 1.997 1.00 0.46 H new ATOM 0 HG3 GLN A 58 5.721 11.070 3.197 1.00 0.46 H new ATOM 0 HE21 GLN A 58 7.525 9.814 2.685 1.00 0.28 H new ATOM 0 HE22 GLN A 58 8.422 10.049 1.181 1.00 0.28 H new ATOM 895 N LEU A 59 2.568 7.393 3.142 1.00 0.20 N ATOM 896 CA LEU A 59 1.450 6.555 2.804 1.00 0.20 C ATOM 897 C LEU A 59 0.239 7.456 2.879 1.00 0.21 C ATOM 898 O LEU A 59 -0.341 7.680 3.943 1.00 0.23 O ATOM 899 CB LEU A 59 1.350 5.362 3.784 1.00 0.23 C ATOM 900 CG LEU A 59 0.384 4.212 3.471 1.00 0.23 C ATOM 901 CD1 LEU A 59 0.193 3.439 4.756 1.00 0.26 C ATOM 902 CD2 LEU A 59 -0.942 4.697 2.918 1.00 0.23 C ATOM 0 H LEU A 59 2.658 7.586 4.140 1.00 0.20 H new ATOM 0 HA LEU A 59 1.545 6.114 1.812 1.00 0.20 H new ATOM 0 HB2 LEU A 59 2.348 4.934 3.882 1.00 0.23 H new ATOM 0 HB3 LEU A 59 1.077 5.762 4.761 1.00 0.23 H new ATOM 0 HG LEU A 59 0.805 3.579 2.689 1.00 0.23 H new ATOM 0 HD11 LEU A 59 -0.490 2.607 4.582 1.00 0.26 H new ATOM 0 HD12 LEU A 59 1.155 3.054 5.096 1.00 0.26 H new ATOM 0 HD13 LEU A 59 -0.224 4.097 5.518 1.00 0.26 H new ATOM 0 HD21 LEU A 59 -1.586 3.842 2.715 1.00 0.23 H new ATOM 0 HD22 LEU A 59 -1.424 5.349 3.647 1.00 0.23 H new ATOM 0 HD23 LEU A 59 -0.771 5.250 1.994 1.00 0.23 H new ATOM 914 N HIS A 60 -0.100 7.998 1.743 1.00 0.22 N ATOM 915 CA HIS A 60 -1.201 8.865 1.617 1.00 0.25 C ATOM 916 C HIS A 60 -2.400 8.088 1.232 1.00 0.24 C ATOM 917 O HIS A 60 -2.337 6.979 0.723 1.00 0.26 O ATOM 918 CB HIS A 60 -0.968 9.951 0.576 1.00 0.37 C ATOM 919 CG HIS A 60 -0.140 11.107 1.041 1.00 0.79 C ATOM 920 ND1 HIS A 60 -0.688 12.239 1.596 1.00 1.48 N ATOM 921 CD2 HIS A 60 1.195 11.319 1.003 1.00 1.65 C ATOM 922 CE1 HIS A 60 0.271 13.098 1.877 1.00 1.91 C ATOM 923 NE2 HIS A 60 1.428 12.567 1.528 1.00 2.03 N ATOM 0 H HIS A 60 0.402 7.836 0.870 1.00 0.22 H new ATOM 0 HA HIS A 60 -1.343 9.349 2.583 1.00 0.25 H new ATOM 0 HB2 HIS A 60 -0.484 9.503 -0.292 1.00 0.37 H new ATOM 0 HB3 HIS A 60 -1.935 10.327 0.243 1.00 0.37 H new ATOM 0 HD2 HIS A 60 1.941 10.633 0.629 1.00 1.65 H new ATOM 0 HE1 HIS A 60 0.133 14.074 2.319 1.00 1.91 H new ATOM 0 HE2 HIS A 60 2.342 13.009 1.631 1.00 2.03 H new ATOM 932 N ASP A 61 -3.464 8.721 1.490 1.00 0.29 N ATOM 933 CA ASP A 61 -4.766 8.263 1.151 1.00 0.32 C ATOM 934 C ASP A 61 -5.492 9.353 0.438 1.00 0.35 C ATOM 935 O ASP A 61 -5.817 10.407 0.987 1.00 0.48 O ATOM 936 CB ASP A 61 -5.586 7.798 2.332 1.00 0.44 C ATOM 937 CG ASP A 61 -5.465 8.668 3.567 1.00 0.54 C ATOM 938 OD1 ASP A 61 -4.474 8.523 4.317 1.00 0.73 O ATOM 939 OD2 ASP A 61 -6.376 9.485 3.812 1.00 0.92 O ATOM 0 H ASP A 61 -3.466 9.622 1.968 1.00 0.29 H new ATOM 0 HA ASP A 61 -4.633 7.388 0.515 1.00 0.32 H new ATOM 0 HB2 ASP A 61 -6.634 7.755 2.035 1.00 0.44 H new ATOM 0 HB3 ASP A 61 -5.285 6.782 2.589 1.00 0.44 H new ATOM 944 N SER A 62 -5.684 9.088 -0.800 1.00 0.29 N ATOM 945 CA SER A 62 -6.431 9.954 -1.665 1.00 0.32 C ATOM 946 C SER A 62 -7.866 9.494 -1.649 1.00 0.32 C ATOM 947 O SER A 62 -8.143 8.304 -1.535 1.00 0.41 O ATOM 948 CB SER A 62 -5.868 9.934 -3.081 1.00 0.40 C ATOM 949 OG SER A 62 -4.448 9.905 -3.064 1.00 0.47 O ATOM 0 H SER A 62 -5.325 8.251 -1.259 1.00 0.29 H new ATOM 0 HA SER A 62 -6.362 10.983 -1.313 1.00 0.32 H new ATOM 0 HB2 SER A 62 -6.247 9.062 -3.614 1.00 0.40 H new ATOM 0 HB3 SER A 62 -6.211 10.814 -3.625 1.00 0.40 H new ATOM 0 HG SER A 62 -4.142 9.002 -2.836 1.00 0.47 H new ATOM 955 N TYR A 63 -8.767 10.421 -1.743 1.00 0.38 N ATOM 956 CA TYR A 63 -10.150 10.123 -1.534 1.00 0.45 C ATOM 957 C TYR A 63 -11.029 10.877 -2.493 1.00 0.47 C ATOM 958 O TYR A 63 -11.292 12.070 -2.339 1.00 0.54 O ATOM 959 CB TYR A 63 -10.512 10.392 -0.078 1.00 0.64 C ATOM 960 CG TYR A 63 -11.976 10.679 0.191 1.00 0.63 C ATOM 961 CD1 TYR A 63 -12.928 9.673 0.063 1.00 0.84 C ATOM 962 CD2 TYR A 63 -12.409 11.946 0.554 1.00 0.87 C ATOM 963 CE1 TYR A 63 -14.266 9.922 0.297 1.00 1.05 C ATOM 964 CE2 TYR A 63 -13.746 12.202 0.788 1.00 1.06 C ATOM 965 CZ TYR A 63 -14.653 11.222 0.712 1.00 1.07 C ATOM 966 OH TYR A 63 -16.004 11.431 0.893 1.00 1.39 O ATOM 0 H TYR A 63 -8.568 11.397 -1.965 1.00 0.38 H new ATOM 0 HA TYR A 63 -10.323 9.066 -1.738 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -10.214 9.529 0.517 1.00 0.64 H new ATOM 0 HB3 TYR A 63 -9.924 11.240 0.273 1.00 0.64 H new ATOM 0 HD1 TYR A 63 -12.615 8.680 -0.224 1.00 0.84 H new ATOM 0 HD2 TYR A 63 -11.689 12.745 0.655 1.00 0.87 H new ATOM 0 HE1 TYR A 63 -15.003 9.143 0.167 1.00 1.05 H new ATOM 0 HE2 TYR A 63 -14.062 13.205 1.035 1.00 1.06 H new ATOM 0 HH TYR A 63 -16.157 12.356 1.179 1.00 1.39 H new ATOM 976 N ASP A 64 -11.430 10.171 -3.519 1.00 0.47 N ATOM 977 CA ASP A 64 -12.447 10.674 -4.408 1.00 0.57 C ATOM 978 C ASP A 64 -13.643 9.777 -4.330 1.00 0.57 C ATOM 979 O ASP A 64 -13.585 8.577 -4.600 1.00 0.63 O ATOM 980 CB ASP A 64 -11.995 10.798 -5.844 1.00 0.71 C ATOM 981 CG ASP A 64 -12.918 11.687 -6.654 1.00 1.53 C ATOM 982 OD1 ASP A 64 -14.032 11.243 -6.994 1.00 2.42 O ATOM 983 OD2 ASP A 64 -12.536 12.829 -6.958 1.00 2.00 O ATOM 0 H ASP A 64 -11.069 9.248 -3.760 1.00 0.47 H new ATOM 0 HA ASP A 64 -12.687 11.685 -4.079 1.00 0.57 H new ATOM 0 HB2 ASP A 64 -10.984 11.204 -5.872 1.00 0.71 H new ATOM 0 HB3 ASP A 64 -11.954 9.808 -6.298 1.00 0.71 H new ATOM 988 N ARG A 65 -14.716 10.379 -3.977 1.00 0.60 N ATOM 989 CA ARG A 65 -15.941 9.682 -3.681 1.00 0.64 C ATOM 990 C ARG A 65 -16.760 9.410 -4.930 1.00 0.74 C ATOM 991 O ARG A 65 -17.367 8.346 -5.065 1.00 0.88 O ATOM 992 CB ARG A 65 -16.746 10.493 -2.684 1.00 0.74 C ATOM 993 CG ARG A 65 -17.124 9.671 -1.487 1.00 0.86 C ATOM 994 CD ARG A 65 -18.071 8.560 -1.890 1.00 1.00 C ATOM 995 NE ARG A 65 -19.467 8.972 -1.778 1.00 1.19 N ATOM 996 CZ ARG A 65 -20.296 9.121 -2.813 1.00 1.80 C ATOM 997 NH1 ARG A 65 -19.870 8.915 -4.053 1.00 2.46 N ATOM 998 NH2 ARG A 65 -21.552 9.490 -2.604 1.00 2.07 N ATOM 0 H ARG A 65 -14.784 11.392 -3.879 1.00 0.60 H new ATOM 0 HA ARG A 65 -15.687 8.712 -3.253 1.00 0.64 H new ATOM 0 HB2 ARG A 65 -16.166 11.359 -2.364 1.00 0.74 H new ATOM 0 HB3 ARG A 65 -17.647 10.873 -3.165 1.00 0.74 H new ATOM 0 HG2 ARG A 65 -16.229 9.248 -1.031 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -17.595 10.305 -0.736 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -17.862 8.258 -2.916 1.00 1.00 H new ATOM 0 HD3 ARG A 65 -17.898 7.688 -1.260 1.00 1.00 H new ATOM 0 HE ARG A 65 -19.834 9.159 -0.845 1.00 1.19 H new ATOM 0 HH11 ARG A 65 -18.902 8.640 -4.221 1.00 2.46 H new ATOM 0 HH12 ARG A 65 -20.511 9.031 -4.838 1.00 2.46 H new ATOM 0 HH21 ARG A 65 -21.882 9.659 -1.654 1.00 2.07 H new ATOM 0 HH22 ARG A 65 -22.188 9.605 -3.393 1.00 2.07 H new ATOM 1012 N ALA A 66 -16.774 10.373 -5.819 1.00 0.80 N ATOM 1013 CA ALA A 66 -17.498 10.264 -7.077 1.00 0.93 C ATOM 1014 C ALA A 66 -16.771 9.357 -8.060 1.00 0.83 C ATOM 1015 O ALA A 66 -17.359 8.870 -9.024 1.00 0.92 O ATOM 1016 CB ALA A 66 -17.725 11.637 -7.686 1.00 1.15 C ATOM 0 H ALA A 66 -16.285 11.260 -5.697 1.00 0.80 H new ATOM 0 HA ALA A 66 -18.468 9.814 -6.863 1.00 0.93 H new ATOM 0 HB1 ALA A 66 -18.268 11.533 -8.626 1.00 1.15 H new ATOM 0 HB2 ALA A 66 -18.307 12.249 -6.997 1.00 1.15 H new ATOM 0 HB3 ALA A 66 -16.764 12.115 -7.873 1.00 1.15 H new ATOM 1022 N SER A 67 -15.493 9.133 -7.803 1.00 0.72 N ATOM 1023 CA SER A 67 -14.710 8.196 -8.579 1.00 0.72 C ATOM 1024 C SER A 67 -14.721 6.884 -7.840 1.00 0.58 C ATOM 1025 O SER A 67 -14.408 5.826 -8.395 1.00 0.63 O ATOM 1026 CB SER A 67 -13.283 8.710 -8.760 1.00 0.83 C ATOM 1027 OG SER A 67 -13.292 10.045 -9.237 1.00 1.41 O ATOM 0 H SER A 67 -14.975 9.594 -7.055 1.00 0.72 H new ATOM 0 HA SER A 67 -15.133 8.072 -9.576 1.00 0.72 H new ATOM 0 HB2 SER A 67 -12.749 8.661 -7.811 1.00 0.83 H new ATOM 0 HB3 SER A 67 -12.746 8.071 -9.461 1.00 0.83 H new ATOM 0 HG SER A 67 -13.856 10.596 -8.655 1.00 1.41 H new ATOM 1033 N LYS A 68 -15.101 6.986 -6.563 1.00 0.50 N ATOM 1034 CA LYS A 68 -15.316 5.835 -5.716 1.00 0.50 C ATOM 1035 C LYS A 68 -13.992 5.134 -5.454 1.00 0.44 C ATOM 1036 O LYS A 68 -13.940 3.921 -5.270 1.00 0.59 O ATOM 1037 CB LYS A 68 -16.299 4.892 -6.398 1.00 0.70 C ATOM 1038 CG LYS A 68 -16.895 3.826 -5.502 1.00 0.66 C ATOM 1039 CD LYS A 68 -18.199 4.276 -4.854 1.00 1.38 C ATOM 1040 CE LYS A 68 -17.973 5.208 -3.673 1.00 2.27 C ATOM 1041 NZ LYS A 68 -19.249 5.517 -2.974 1.00 3.31 N ATOM 0 H LYS A 68 -15.266 7.878 -6.097 1.00 0.50 H new ATOM 0 HA LYS A 68 -15.732 6.150 -4.759 1.00 0.50 H new ATOM 0 HB2 LYS A 68 -17.111 5.483 -6.822 1.00 0.70 H new ATOM 0 HB3 LYS A 68 -15.792 4.403 -7.230 1.00 0.70 H new ATOM 0 HG2 LYS A 68 -17.075 2.923 -6.086 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -16.177 3.565 -4.725 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -18.815 4.781 -5.598 1.00 1.38 H new ATOM 0 HD3 LYS A 68 -18.756 3.400 -4.520 1.00 1.38 H new ATOM 0 HE2 LYS A 68 -17.275 4.748 -2.973 1.00 2.27 H new ATOM 0 HE3 LYS A 68 -17.513 6.133 -4.020 1.00 2.27 H new ATOM 0 HZ1 LYS A 68 -19.069 6.194 -2.206 1.00 3.31 H new ATOM 0 HZ2 LYS A 68 -19.923 5.931 -3.649 1.00 3.31 H new ATOM 0 HZ3 LYS A 68 -19.648 4.642 -2.578 1.00 3.31 H new ATOM 1055 N VAL A 69 -12.921 5.908 -5.420 1.00 0.34 N ATOM 1056 CA VAL A 69 -11.608 5.357 -5.197 1.00 0.31 C ATOM 1057 C VAL A 69 -10.888 6.121 -4.114 1.00 0.29 C ATOM 1058 O VAL A 69 -10.790 7.350 -4.142 1.00 0.35 O ATOM 1059 CB VAL A 69 -10.704 5.394 -6.444 1.00 0.34 C ATOM 1060 CG1 VAL A 69 -9.503 4.480 -6.260 1.00 0.38 C ATOM 1061 CG2 VAL A 69 -11.462 5.030 -7.709 1.00 0.43 C ATOM 0 H VAL A 69 -12.941 6.920 -5.545 1.00 0.34 H new ATOM 0 HA VAL A 69 -11.782 4.318 -4.917 1.00 0.31 H new ATOM 0 HB VAL A 69 -10.353 6.419 -6.560 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -8.876 4.519 -7.151 1.00 0.38 H new ATOM 0 HG12 VAL A 69 -8.926 4.807 -5.395 1.00 0.38 H new ATOM 0 HG13 VAL A 69 -9.845 3.457 -6.102 1.00 0.38 H new ATOM 0 HG21 VAL A 69 -10.785 5.069 -8.563 1.00 0.43 H new ATOM 0 HG22 VAL A 69 -11.867 4.023 -7.613 1.00 0.43 H new ATOM 0 HG23 VAL A 69 -12.278 5.737 -7.860 1.00 0.43 H new ATOM 1071 N TYR A 70 -10.400 5.374 -3.174 1.00 0.25 N ATOM 1072 CA TYR A 70 -9.395 5.844 -2.273 1.00 0.25 C ATOM 1073 C TYR A 70 -8.091 5.335 -2.802 1.00 0.22 C ATOM 1074 O TYR A 70 -7.832 4.129 -2.822 1.00 0.26 O ATOM 1075 CB TYR A 70 -9.545 5.325 -0.853 1.00 0.31 C ATOM 1076 CG TYR A 70 -10.810 5.724 -0.134 1.00 0.41 C ATOM 1077 CD1 TYR A 70 -12.020 5.127 -0.434 1.00 0.97 C ATOM 1078 CD2 TYR A 70 -10.783 6.681 0.875 1.00 1.09 C ATOM 1079 CE1 TYR A 70 -13.173 5.477 0.237 1.00 0.99 C ATOM 1080 CE2 TYR A 70 -11.931 7.029 1.557 1.00 1.24 C ATOM 1081 CZ TYR A 70 -13.123 6.424 1.233 1.00 0.76 C ATOM 1082 OH TYR A 70 -14.273 6.764 1.912 1.00 0.93 O ATOM 0 H TYR A 70 -10.691 4.411 -3.009 1.00 0.25 H new ATOM 0 HA TYR A 70 -9.470 6.930 -2.220 1.00 0.25 H new ATOM 0 HB2 TYR A 70 -9.492 4.237 -0.878 1.00 0.31 H new ATOM 0 HB3 TYR A 70 -8.693 5.672 -0.268 1.00 0.31 H new ATOM 0 HD1 TYR A 70 -12.063 4.374 -1.207 1.00 0.97 H new ATOM 0 HD2 TYR A 70 -9.849 7.159 1.129 1.00 1.09 H new ATOM 0 HE1 TYR A 70 -14.112 5.009 -0.019 1.00 0.99 H new ATOM 0 HE2 TYR A 70 -11.894 7.772 2.340 1.00 1.24 H new ATOM 0 HH TYR A 70 -14.557 7.663 1.644 1.00 0.93 H new ATOM 1092 N LEU A 71 -7.295 6.234 -3.250 1.00 0.20 N ATOM 1093 CA LEU A 71 -5.992 5.870 -3.728 1.00 0.19 C ATOM 1094 C LEU A 71 -4.997 6.138 -2.649 1.00 0.20 C ATOM 1095 O LEU A 71 -4.640 7.273 -2.363 1.00 0.22 O ATOM 1096 CB LEU A 71 -5.549 6.600 -4.996 1.00 0.25 C ATOM 1097 CG LEU A 71 -4.060 6.391 -5.305 1.00 0.31 C ATOM 1098 CD1 LEU A 71 -3.751 4.920 -5.517 1.00 0.27 C ATOM 1099 CD2 LEU A 71 -3.614 7.197 -6.503 1.00 0.52 C ATOM 0 H LEU A 71 -7.512 7.229 -3.300 1.00 0.20 H new ATOM 0 HA LEU A 71 -6.048 4.814 -3.991 1.00 0.19 H new ATOM 0 HB2 LEU A 71 -6.144 6.250 -5.839 1.00 0.25 H new ATOM 0 HB3 LEU A 71 -5.748 7.666 -4.886 1.00 0.25 H new ATOM 0 HG LEU A 71 -3.502 6.746 -4.439 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -2.690 4.799 -5.734 1.00 0.27 H new ATOM 0 HD12 LEU A 71 -4.003 4.362 -4.615 1.00 0.27 H new ATOM 0 HD13 LEU A 71 -4.338 4.542 -6.354 1.00 0.27 H new ATOM 0 HD21 LEU A 71 -2.554 7.020 -6.687 1.00 0.52 H new ATOM 0 HD22 LEU A 71 -4.189 6.896 -7.379 1.00 0.52 H new ATOM 0 HD23 LEU A 71 -3.776 8.257 -6.309 1.00 0.52 H new ATOM 1111 N PHE A 72 -4.553 5.087 -2.069 1.00 0.20 N ATOM 1112 CA PHE A 72 -3.492 5.155 -1.134 1.00 0.21 C ATOM 1113 C PHE A 72 -2.197 5.130 -1.898 1.00 0.23 C ATOM 1114 O PHE A 72 -1.865 4.163 -2.583 1.00 0.27 O ATOM 1115 CB PHE A 72 -3.555 3.999 -0.170 1.00 0.25 C ATOM 1116 CG PHE A 72 -4.720 4.031 0.779 1.00 0.25 C ATOM 1117 CD1 PHE A 72 -5.992 3.697 0.344 1.00 0.28 C ATOM 1118 CD2 PHE A 72 -4.546 4.423 2.097 1.00 0.31 C ATOM 1119 CE1 PHE A 72 -7.067 3.744 1.208 1.00 0.30 C ATOM 1120 CE2 PHE A 72 -5.618 4.466 2.967 1.00 0.33 C ATOM 1121 CZ PHE A 72 -6.863 4.047 2.545 1.00 0.30 C ATOM 0 H PHE A 72 -4.917 4.148 -2.230 1.00 0.20 H new ATOM 0 HA PHE A 72 -3.569 6.073 -0.551 1.00 0.21 H new ATOM 0 HB2 PHE A 72 -3.595 3.071 -0.740 1.00 0.25 H new ATOM 0 HB3 PHE A 72 -2.633 3.978 0.410 1.00 0.25 H new ATOM 0 HD1 PHE A 72 -6.144 3.397 -0.682 1.00 0.28 H new ATOM 0 HD2 PHE A 72 -3.562 4.698 2.447 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -8.064 3.545 0.844 1.00 0.30 H new ATOM 0 HE2 PHE A 72 -5.482 4.827 3.976 1.00 0.33 H new ATOM 0 HZ PHE A 72 -7.674 3.956 3.252 1.00 0.30 H new ATOM 1131 N GLU A 73 -1.500 6.210 -1.787 1.00 0.22 N ATOM 1132 CA GLU A 73 -0.257 6.401 -2.485 1.00 0.26 C ATOM 1133 C GLU A 73 0.872 6.236 -1.531 1.00 0.20 C ATOM 1134 O GLU A 73 0.959 6.924 -0.514 1.00 0.27 O ATOM 1135 CB GLU A 73 -0.106 7.782 -3.081 1.00 0.42 C ATOM 1136 CG GLU A 73 -1.139 8.181 -4.110 1.00 0.59 C ATOM 1137 CD GLU A 73 -0.743 9.469 -4.802 1.00 0.75 C ATOM 1138 OE1 GLU A 73 0.375 9.517 -5.369 1.00 1.09 O ATOM 1139 OE2 GLU A 73 -1.520 10.442 -4.753 1.00 1.32 O ATOM 0 H GLU A 73 -1.774 7.000 -1.203 1.00 0.22 H new ATOM 0 HA GLU A 73 -0.251 5.665 -3.289 1.00 0.26 H new ATOM 0 HB2 GLU A 73 -0.131 8.510 -2.270 1.00 0.42 H new ATOM 0 HB3 GLU A 73 0.880 7.851 -3.541 1.00 0.42 H new ATOM 0 HG2 GLU A 73 -1.249 7.386 -4.848 1.00 0.59 H new ATOM 0 HG3 GLU A 73 -2.109 8.306 -3.628 1.00 0.59 H new ATOM 1146 N LEU A 74 1.732 5.344 -1.864 1.00 0.21 N ATOM 1147 CA LEU A 74 2.964 5.218 -1.162 1.00 0.21 C ATOM 1148 C LEU A 74 3.971 6.001 -1.906 1.00 0.20 C ATOM 1149 O LEU A 74 4.269 5.734 -3.073 1.00 0.25 O ATOM 1150 CB LEU A 74 3.490 3.807 -1.086 1.00 0.27 C ATOM 1151 CG LEU A 74 2.594 2.764 -0.436 1.00 0.27 C ATOM 1152 CD1 LEU A 74 3.370 2.020 0.615 1.00 0.85 C ATOM 1153 CD2 LEU A 74 1.333 3.368 0.165 1.00 0.96 C ATOM 0 H LEU A 74 1.606 4.680 -2.628 1.00 0.21 H new ATOM 0 HA LEU A 74 2.786 5.560 -0.142 1.00 0.21 H new ATOM 0 HB2 LEU A 74 3.714 3.475 -2.100 1.00 0.27 H new ATOM 0 HB3 LEU A 74 4.434 3.828 -0.542 1.00 0.27 H new ATOM 0 HG LEU A 74 2.270 2.076 -1.217 1.00 0.27 H new ATOM 0 HD11 LEU A 74 2.728 1.273 1.081 1.00 0.85 H new ATOM 0 HD12 LEU A 74 4.226 1.527 0.154 1.00 0.85 H new ATOM 0 HD13 LEU A 74 3.720 2.721 1.373 1.00 0.85 H new ATOM 0 HD21 LEU A 74 0.731 2.579 0.615 1.00 0.96 H new ATOM 0 HD22 LEU A 74 1.607 4.096 0.929 1.00 0.96 H new ATOM 0 HD23 LEU A 74 0.757 3.862 -0.618 1.00 0.96 H new ATOM 1165 N HIS A 75 4.484 6.951 -1.243 1.00 0.18 N ATOM 1166 CA HIS A 75 5.617 7.630 -1.753 1.00 0.19 C ATOM 1167 C HIS A 75 6.712 7.220 -0.834 1.00 0.19 C ATOM 1168 O HIS A 75 6.877 7.770 0.249 1.00 0.19 O ATOM 1169 CB HIS A 75 5.423 9.152 -1.773 1.00 0.23 C ATOM 1170 CG HIS A 75 4.352 9.634 -2.719 1.00 0.39 C ATOM 1171 ND1 HIS A 75 4.021 10.965 -2.861 1.00 1.01 N ATOM 1172 CD2 HIS A 75 3.538 8.959 -3.579 1.00 1.15 C ATOM 1173 CE1 HIS A 75 3.059 11.088 -3.760 1.00 0.88 C ATOM 1174 NE2 HIS A 75 2.748 9.891 -4.209 1.00 0.94 N ATOM 0 H HIS A 75 4.144 7.285 -0.341 1.00 0.18 H new ATOM 0 HA HIS A 75 5.822 7.375 -2.793 1.00 0.19 H new ATOM 0 HB2 HIS A 75 5.178 9.487 -0.765 1.00 0.23 H new ATOM 0 HB3 HIS A 75 6.368 9.622 -2.044 1.00 0.23 H new ATOM 0 HD2 HIS A 75 3.518 7.891 -3.736 1.00 1.15 H new ATOM 0 HE1 HIS A 75 2.604 12.016 -4.073 1.00 0.88 H new ATOM 0 HE2 HIS A 75 2.036 9.688 -4.911 1.00 0.94 H new ATOM 1183 N ILE A 76 7.436 6.216 -1.244 1.00 0.21 N ATOM 1184 CA ILE A 76 8.443 5.671 -0.401 1.00 0.23 C ATOM 1185 C ILE A 76 9.748 5.718 -1.124 1.00 0.25 C ATOM 1186 O ILE A 76 10.089 4.883 -1.935 1.00 0.28 O ATOM 1187 CB ILE A 76 8.129 4.235 0.026 1.00 0.27 C ATOM 1188 CG1 ILE A 76 6.742 4.143 0.687 1.00 0.29 C ATOM 1189 CG2 ILE A 76 9.207 3.721 0.978 1.00 0.29 C ATOM 1190 CD1 ILE A 76 6.497 2.806 1.344 1.00 0.52 C ATOM 0 H ILE A 76 7.342 5.765 -2.154 1.00 0.21 H new ATOM 0 HA ILE A 76 8.488 6.268 0.510 1.00 0.23 H new ATOM 0 HB ILE A 76 8.118 3.610 -0.867 1.00 0.27 H new ATOM 0 HG12 ILE A 76 6.646 4.932 1.432 1.00 0.29 H new ATOM 0 HG13 ILE A 76 5.973 4.320 -0.065 1.00 0.29 H new ATOM 0 HG21 ILE A 76 8.973 2.699 1.275 1.00 0.29 H new ATOM 0 HG22 ILE A 76 10.175 3.741 0.477 1.00 0.29 H new ATOM 0 HG23 ILE A 76 9.244 4.356 1.863 1.00 0.29 H new ATOM 0 HD11 ILE A 76 5.504 2.798 1.794 1.00 0.52 H new ATOM 0 HD12 ILE A 76 6.563 2.016 0.596 1.00 0.52 H new ATOM 0 HD13 ILE A 76 7.247 2.638 2.117 1.00 0.52 H new ATOM 1202 N THR A 77 10.477 6.695 -0.784 1.00 0.24 N ATOM 1203 CA THR A 77 11.681 6.993 -1.406 1.00 0.26 C ATOM 1204 C THR A 77 12.785 6.633 -0.470 1.00 0.36 C ATOM 1205 O THR A 77 12.563 6.271 0.692 1.00 0.58 O ATOM 1206 CB THR A 77 11.738 8.492 -1.753 1.00 0.32 C ATOM 1207 OG1 THR A 77 11.646 9.276 -0.556 1.00 0.41 O ATOM 1208 CG2 THR A 77 10.594 8.861 -2.680 1.00 0.37 C ATOM 0 H THR A 77 10.235 7.336 -0.028 1.00 0.24 H new ATOM 0 HA THR A 77 11.780 6.429 -2.333 1.00 0.26 H new ATOM 0 HB THR A 77 12.686 8.696 -2.251 1.00 0.32 H new ATOM 0 HG1 THR A 77 11.685 10.228 -0.785 1.00 0.41 H new ATOM 0 HG21 THR A 77 10.646 9.924 -2.917 1.00 0.37 H new ATOM 0 HG22 THR A 77 10.669 8.280 -3.599 1.00 0.37 H new ATOM 0 HG23 THR A 77 9.645 8.645 -2.190 1.00 0.37 H new ATOM 1216 N ASP A 78 13.940 6.680 -1.025 1.00 0.30 N ATOM 1217 CA ASP A 78 15.186 6.587 -0.263 1.00 0.45 C ATOM 1218 C ASP A 78 15.305 5.215 0.371 1.00 0.45 C ATOM 1219 O ASP A 78 15.825 5.033 1.472 1.00 0.70 O ATOM 1220 CB ASP A 78 15.130 7.657 0.791 1.00 0.61 C ATOM 1221 CG ASP A 78 16.432 7.893 1.536 1.00 1.44 C ATOM 1222 OD1 ASP A 78 17.386 8.419 0.921 1.00 1.97 O ATOM 1223 OD2 ASP A 78 16.491 7.588 2.747 1.00 2.12 O ATOM 0 H ASP A 78 14.077 6.785 -2.030 1.00 0.30 H new ATOM 0 HA ASP A 78 16.055 6.726 -0.906 1.00 0.45 H new ATOM 0 HB2 ASP A 78 14.823 8.592 0.322 1.00 0.61 H new ATOM 0 HB3 ASP A 78 14.358 7.394 1.514 1.00 0.61 H new ATOM 1228 N ALA A 79 14.781 4.269 -0.359 1.00 0.37 N ATOM 1229 CA ALA A 79 14.733 2.874 0.053 1.00 0.34 C ATOM 1230 C ALA A 79 16.088 2.381 0.522 1.00 0.38 C ATOM 1231 O ALA A 79 17.032 2.285 -0.255 1.00 0.40 O ATOM 1232 CB ALA A 79 14.221 1.990 -1.076 1.00 0.34 C ATOM 0 H ALA A 79 14.365 4.439 -1.275 1.00 0.37 H new ATOM 0 HA ALA A 79 14.040 2.812 0.892 1.00 0.34 H new ATOM 0 HB1 ALA A 79 14.195 0.953 -0.742 1.00 0.34 H new ATOM 0 HB2 ALA A 79 13.217 2.306 -1.359 1.00 0.34 H new ATOM 0 HB3 ALA A 79 14.884 2.078 -1.936 1.00 0.34 H new ATOM 1238 N GLN A 80 16.171 2.108 1.807 1.00 0.47 N ATOM 1239 CA GLN A 80 17.343 1.496 2.394 1.00 0.55 C ATOM 1240 C GLN A 80 17.427 0.031 1.942 1.00 0.43 C ATOM 1241 O GLN A 80 16.399 -0.570 1.643 1.00 0.43 O ATOM 1242 CB GLN A 80 17.246 1.624 3.920 1.00 0.74 C ATOM 1243 CG GLN A 80 17.486 0.328 4.678 1.00 0.78 C ATOM 1244 CD GLN A 80 17.970 0.558 6.093 1.00 1.06 C ATOM 1245 OE1 GLN A 80 17.175 0.665 7.022 1.00 1.37 O ATOM 1246 NE2 GLN A 80 19.284 0.625 6.265 1.00 1.43 N ATOM 0 H GLN A 80 15.426 2.305 2.475 1.00 0.47 H new ATOM 0 HA GLN A 80 18.255 1.995 2.066 1.00 0.55 H new ATOM 0 HB2 GLN A 80 17.970 2.366 4.256 1.00 0.74 H new ATOM 0 HB3 GLN A 80 16.257 2.003 4.178 1.00 0.74 H new ATOM 0 HG2 GLN A 80 16.562 -0.249 4.704 1.00 0.78 H new ATOM 0 HG3 GLN A 80 18.221 -0.271 4.140 1.00 0.78 H new ATOM 0 HE21 GLN A 80 19.909 0.531 5.464 1.00 1.43 H new ATOM 0 HE22 GLN A 80 19.669 0.771 7.198 1.00 1.43 H new ATOM 1255 N PRO A 81 18.633 -0.578 1.895 1.00 0.42 N ATOM 1256 CA PRO A 81 18.805 -1.943 1.364 1.00 0.44 C ATOM 1257 C PRO A 81 18.135 -3.014 2.227 1.00 0.54 C ATOM 1258 O PRO A 81 18.140 -4.192 1.884 1.00 1.33 O ATOM 1259 CB PRO A 81 20.321 -2.143 1.358 1.00 0.50 C ATOM 1260 CG PRO A 81 20.837 -1.194 2.387 1.00 0.57 C ATOM 1261 CD PRO A 81 19.916 -0.003 2.348 1.00 0.49 C ATOM 0 HA PRO A 81 18.340 -2.044 0.384 1.00 0.44 H new ATOM 0 HB2 PRO A 81 20.585 -3.172 1.602 1.00 0.50 H new ATOM 0 HB3 PRO A 81 20.744 -1.930 0.376 1.00 0.50 H new ATOM 0 HG2 PRO A 81 20.840 -1.653 3.375 1.00 0.57 H new ATOM 0 HG3 PRO A 81 21.864 -0.901 2.168 1.00 0.57 H new ATOM 0 HD2 PRO A 81 19.823 0.465 3.328 1.00 0.49 H new ATOM 0 HD3 PRO A 81 20.278 0.763 1.662 1.00 0.49 H new ATOM 1269 N ALA A 82 17.566 -2.594 3.343 1.00 0.81 N ATOM 1270 CA ALA A 82 16.821 -3.491 4.211 1.00 0.88 C ATOM 1271 C ALA A 82 15.330 -3.171 4.150 1.00 0.77 C ATOM 1272 O ALA A 82 14.555 -3.594 5.011 1.00 0.91 O ATOM 1273 CB ALA A 82 17.332 -3.397 5.645 1.00 1.12 C ATOM 0 H ALA A 82 17.606 -1.629 3.672 1.00 0.81 H new ATOM 0 HA ALA A 82 16.970 -4.513 3.862 1.00 0.88 H new ATOM 0 HB1 ALA A 82 16.762 -4.076 6.280 1.00 1.12 H new ATOM 0 HB2 ALA A 82 18.386 -3.672 5.674 1.00 1.12 H new ATOM 0 HB3 ALA A 82 17.213 -2.376 6.007 1.00 1.12 H new ATOM 1279 N PHE A 83 14.927 -2.432 3.118 1.00 0.64 N ATOM 1280 CA PHE A 83 13.541 -2.075 2.932 1.00 0.68 C ATOM 1281 C PHE A 83 12.916 -2.989 1.921 1.00 0.76 C ATOM 1282 O PHE A 83 11.740 -2.817 1.605 1.00 1.24 O ATOM 1283 CB PHE A 83 13.442 -0.636 2.449 1.00 0.74 C ATOM 1284 CG PHE A 83 13.229 0.388 3.533 1.00 0.70 C ATOM 1285 CD1 PHE A 83 13.250 0.003 4.865 1.00 0.80 C ATOM 1286 CD2 PHE A 83 13.017 1.728 3.231 1.00 0.75 C ATOM 1287 CE1 PHE A 83 13.074 0.928 5.873 1.00 0.90 C ATOM 1288 CE2 PHE A 83 12.837 2.657 4.237 1.00 0.83 C ATOM 1289 CZ PHE A 83 12.806 2.301 5.505 1.00 0.88 C ATOM 0 H PHE A 83 15.554 -2.071 2.398 1.00 0.64 H new ATOM 0 HA PHE A 83 13.015 -2.173 3.881 1.00 0.68 H new ATOM 0 HB2 PHE A 83 14.356 -0.386 1.909 1.00 0.74 H new ATOM 0 HB3 PHE A 83 12.621 -0.564 1.736 1.00 0.74 H new ATOM 0 HD1 PHE A 83 13.406 -1.036 5.117 1.00 0.80 H new ATOM 0 HD2 PHE A 83 12.993 2.046 2.199 1.00 0.75 H new ATOM 0 HE1 PHE A 83 13.135 0.635 6.911 1.00 0.90 H new ATOM 0 HE2 PHE A 83 12.719 3.699 3.978 1.00 0.83 H new ATOM 0 HZ PHE A 83 12.581 3.032 6.267 1.00 0.88 H new ATOM 1299 N THR A 84 13.735 -3.932 1.421 1.00 0.55 N ATOM 1300 CA THR A 84 13.339 -4.957 0.485 1.00 0.58 C ATOM 1301 C THR A 84 11.892 -5.301 0.662 1.00 0.80 C ATOM 1302 O THR A 84 11.478 -6.056 1.542 1.00 1.22 O ATOM 1303 CB THR A 84 14.203 -6.202 0.618 1.00 0.97 C ATOM 1304 OG1 THR A 84 15.586 -5.823 0.641 1.00 1.10 O ATOM 1305 CG2 THR A 84 13.943 -7.159 -0.541 1.00 1.17 C ATOM 0 H THR A 84 14.721 -3.988 1.677 1.00 0.55 H new ATOM 0 HA THR A 84 13.485 -4.560 -0.519 1.00 0.58 H new ATOM 0 HB THR A 84 13.950 -6.711 1.548 1.00 0.97 H new ATOM 0 HG1 THR A 84 16.143 -6.624 0.728 1.00 1.10 H new ATOM 0 HG21 THR A 84 14.570 -8.044 -0.430 1.00 1.17 H new ATOM 0 HG22 THR A 84 12.894 -7.455 -0.540 1.00 1.17 H new ATOM 0 HG23 THR A 84 14.180 -6.663 -1.482 1.00 1.17 H new ATOM 1313 N GLY A 85 11.177 -4.608 -0.160 1.00 0.87 N ATOM 1314 CA GLY A 85 9.767 -4.578 -0.196 1.00 1.43 C ATOM 1315 C GLY A 85 9.111 -5.857 0.146 1.00 0.96 C ATOM 1316 O GLY A 85 9.159 -6.833 -0.594 1.00 1.29 O ATOM 0 H GLY A 85 11.599 -4.009 -0.870 1.00 0.87 H new ATOM 0 HA2 GLY A 85 9.416 -3.810 0.494 1.00 1.43 H new ATOM 0 HA3 GLY A 85 9.449 -4.279 -1.195 1.00 1.43 H new ATOM 1320 N GLY A 86 8.562 -5.850 1.297 1.00 0.52 N ATOM 1321 CA GLY A 86 7.554 -6.780 1.606 1.00 0.52 C ATOM 1322 C GLY A 86 6.328 -6.027 2.012 1.00 0.40 C ATOM 1323 O GLY A 86 5.939 -5.995 3.169 1.00 0.43 O ATOM 0 H GLY A 86 8.798 -5.202 2.049 1.00 0.52 H new ATOM 0 HA2 GLY A 86 7.343 -7.412 0.743 1.00 0.52 H new ATOM 0 HA3 GLY A 86 7.879 -7.439 2.411 1.00 0.52 H new ATOM 1327 N TYR A 87 5.804 -5.316 1.053 1.00 0.34 N ATOM 1328 CA TYR A 87 4.607 -4.547 1.236 1.00 0.28 C ATOM 1329 C TYR A 87 3.392 -5.455 1.101 1.00 0.30 C ATOM 1330 O TYR A 87 3.267 -6.198 0.124 1.00 0.39 O ATOM 1331 CB TYR A 87 4.552 -3.433 0.202 1.00 0.35 C ATOM 1332 CG TYR A 87 5.717 -2.473 0.277 1.00 0.39 C ATOM 1333 CD1 TYR A 87 6.920 -2.779 -0.334 1.00 0.42 C ATOM 1334 CD2 TYR A 87 5.612 -1.256 0.944 1.00 0.47 C ATOM 1335 CE1 TYR A 87 7.981 -1.902 -0.293 1.00 0.49 C ATOM 1336 CE2 TYR A 87 6.678 -0.374 0.992 1.00 0.54 C ATOM 1337 CZ TYR A 87 7.859 -0.710 0.458 1.00 0.54 C ATOM 1338 OH TYR A 87 8.920 0.177 0.397 1.00 0.63 O ATOM 0 H TYR A 87 6.200 -5.254 0.115 1.00 0.34 H new ATOM 0 HA TYR A 87 4.607 -4.103 2.231 1.00 0.28 H new ATOM 0 HB2 TYR A 87 4.521 -3.875 -0.794 1.00 0.35 H new ATOM 0 HB3 TYR A 87 3.625 -2.875 0.332 1.00 0.35 H new ATOM 0 HD1 TYR A 87 7.029 -3.721 -0.851 1.00 0.42 H new ATOM 0 HD2 TYR A 87 4.684 -0.996 1.432 1.00 0.47 H new ATOM 0 HE1 TYR A 87 8.894 -2.122 -0.827 1.00 0.49 H new ATOM 0 HE2 TYR A 87 6.556 0.590 1.463 1.00 0.54 H new ATOM 0 HH TYR A 87 8.651 0.974 -0.105 1.00 0.63 H new ATOM 1348 N ARG A 88 2.507 -5.400 2.073 1.00 0.33 N ATOM 1349 CA ARG A 88 1.359 -6.277 2.097 1.00 0.36 C ATOM 1350 C ARG A 88 0.131 -5.463 2.449 1.00 0.36 C ATOM 1351 O ARG A 88 -0.054 -5.072 3.600 1.00 0.60 O ATOM 1352 CB ARG A 88 1.588 -7.375 3.135 1.00 0.42 C ATOM 1353 CG ARG A 88 1.066 -8.743 2.744 1.00 1.09 C ATOM 1354 CD ARG A 88 1.507 -9.783 3.761 1.00 1.23 C ATOM 1355 NE ARG A 88 2.939 -9.665 4.061 1.00 1.73 N ATOM 1356 CZ ARG A 88 3.590 -10.433 4.933 1.00 2.17 C ATOM 1357 NH1 ARG A 88 2.956 -11.415 5.557 1.00 2.11 N ATOM 1358 NH2 ARG A 88 4.887 -10.232 5.161 1.00 3.15 N ATOM 0 H ARG A 88 2.562 -4.753 2.860 1.00 0.33 H new ATOM 0 HA ARG A 88 1.213 -6.741 1.122 1.00 0.36 H new ATOM 0 HB2 ARG A 88 2.658 -7.453 3.330 1.00 0.42 H new ATOM 0 HB3 ARG A 88 1.114 -7.075 4.070 1.00 0.42 H new ATOM 0 HG2 ARG A 88 -0.022 -8.721 2.683 1.00 1.09 H new ATOM 0 HG3 ARG A 88 1.435 -9.012 1.754 1.00 1.09 H new ATOM 0 HD2 ARG A 88 0.931 -9.664 4.678 1.00 1.23 H new ATOM 0 HD3 ARG A 88 1.295 -10.781 3.378 1.00 1.23 H new ATOM 0 HE ARG A 88 3.471 -8.947 3.569 1.00 1.73 H new ATOM 0 HH11 ARG A 88 1.968 -11.584 5.370 1.00 2.11 H new ATOM 0 HH12 ARG A 88 3.456 -12.002 6.224 1.00 2.11 H new ATOM 0 HH21 ARG A 88 5.382 -9.489 4.668 1.00 3.15 H new ATOM 0 HH22 ARG A 88 5.385 -10.821 5.829 1.00 3.15 H new ATOM 1372 N CYS A 89 -0.688 -5.180 1.464 1.00 0.26 N ATOM 1373 CA CYS A 89 -1.825 -4.317 1.682 1.00 0.27 C ATOM 1374 C CYS A 89 -3.087 -5.139 1.802 1.00 0.25 C ATOM 1375 O CYS A 89 -3.374 -5.985 0.960 1.00 0.31 O ATOM 1376 CB CYS A 89 -1.950 -3.309 0.554 1.00 0.39 C ATOM 1377 SG CYS A 89 -2.897 -1.837 0.980 1.00 1.08 S ATOM 0 H CYS A 89 -0.590 -5.531 0.511 1.00 0.26 H new ATOM 0 HA CYS A 89 -1.676 -3.771 2.613 1.00 0.27 H new ATOM 0 HB2 CYS A 89 -0.951 -3.006 0.240 1.00 0.39 H new ATOM 0 HB3 CYS A 89 -2.420 -3.794 -0.302 1.00 0.39 H new ATOM 0 HG CYS A 89 -2.110 -0.803 0.991 1.00 1.08 H new ATOM 1383 N GLU A 90 -3.833 -4.877 2.847 1.00 0.26 N ATOM 1384 CA GLU A 90 -5.024 -5.640 3.161 1.00 0.28 C ATOM 1385 C GLU A 90 -6.183 -4.699 3.453 1.00 0.26 C ATOM 1386 O GLU A 90 -6.139 -3.925 4.407 1.00 0.29 O ATOM 1387 CB GLU A 90 -4.750 -6.530 4.374 1.00 0.35 C ATOM 1388 CG GLU A 90 -5.966 -7.262 4.918 1.00 1.19 C ATOM 1389 CD GLU A 90 -5.719 -7.826 6.306 1.00 1.29 C ATOM 1390 OE1 GLU A 90 -5.168 -8.943 6.408 1.00 1.43 O ATOM 1391 OE2 GLU A 90 -6.067 -7.152 7.303 1.00 1.81 O ATOM 0 H GLU A 90 -3.634 -4.127 3.508 1.00 0.26 H new ATOM 0 HA GLU A 90 -5.290 -6.265 2.308 1.00 0.28 H new ATOM 0 HB2 GLU A 90 -3.992 -7.265 4.103 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -4.328 -5.916 5.169 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -6.815 -6.579 4.950 1.00 1.19 H new ATOM 0 HG3 GLU A 90 -6.234 -8.072 4.240 1.00 1.19 H new ATOM 1398 N VAL A 91 -7.213 -4.749 2.631 1.00 0.24 N ATOM 1399 CA VAL A 91 -8.390 -3.941 2.873 1.00 0.22 C ATOM 1400 C VAL A 91 -9.523 -4.814 3.369 1.00 0.22 C ATOM 1401 O VAL A 91 -9.715 -5.943 2.908 1.00 0.24 O ATOM 1402 CB VAL A 91 -8.831 -3.130 1.633 1.00 0.23 C ATOM 1403 CG1 VAL A 91 -8.963 -4.028 0.409 1.00 0.54 C ATOM 1404 CG2 VAL A 91 -10.134 -2.372 1.907 1.00 0.51 C ATOM 0 H VAL A 91 -7.258 -5.335 1.797 1.00 0.24 H new ATOM 0 HA VAL A 91 -8.126 -3.212 3.639 1.00 0.22 H new ATOM 0 HB VAL A 91 -8.056 -2.394 1.422 1.00 0.23 H new ATOM 0 HG11 VAL A 91 -9.274 -3.431 -0.448 1.00 0.54 H new ATOM 0 HG12 VAL A 91 -8.002 -4.496 0.196 1.00 0.54 H new ATOM 0 HG13 VAL A 91 -9.707 -4.800 0.603 1.00 0.54 H new ATOM 0 HG21 VAL A 91 -10.422 -1.810 1.019 1.00 0.51 H new ATOM 0 HG22 VAL A 91 -10.922 -3.082 2.158 1.00 0.51 H new ATOM 0 HG23 VAL A 91 -9.987 -1.684 2.740 1.00 0.51 H new ATOM 1414 N SER A 92 -10.258 -4.286 4.316 1.00 0.22 N ATOM 1415 CA SER A 92 -11.315 -5.023 4.957 1.00 0.25 C ATOM 1416 C SER A 92 -12.523 -4.123 5.091 1.00 0.26 C ATOM 1417 O SER A 92 -12.519 -3.156 5.857 1.00 0.30 O ATOM 1418 CB SER A 92 -10.848 -5.523 6.328 1.00 0.32 C ATOM 1419 OG SER A 92 -11.765 -6.446 6.892 1.00 1.18 O ATOM 0 H SER A 92 -10.140 -3.334 4.663 1.00 0.22 H new ATOM 0 HA SER A 92 -11.583 -5.893 4.358 1.00 0.25 H new ATOM 0 HB2 SER A 92 -9.871 -5.996 6.229 1.00 0.32 H new ATOM 0 HB3 SER A 92 -10.725 -4.675 7.002 1.00 0.32 H new ATOM 0 HG SER A 92 -11.434 -6.745 7.765 1.00 1.18 H new ATOM 1425 N THR A 93 -13.536 -4.414 4.308 1.00 0.28 N ATOM 1426 CA THR A 93 -14.734 -3.613 4.308 1.00 0.35 C ATOM 1427 C THR A 93 -15.940 -4.517 4.400 1.00 0.39 C ATOM 1428 O THR A 93 -15.821 -5.673 4.034 1.00 0.59 O ATOM 1429 CB THR A 93 -14.811 -2.789 3.034 1.00 0.42 C ATOM 1430 OG1 THR A 93 -13.490 -2.486 2.586 1.00 0.74 O ATOM 1431 CG2 THR A 93 -15.551 -1.499 3.270 1.00 0.57 C ATOM 0 H THR A 93 -13.552 -5.203 3.661 1.00 0.28 H new ATOM 0 HA THR A 93 -14.714 -2.939 5.164 1.00 0.35 H new ATOM 0 HB THR A 93 -15.346 -3.370 2.282 1.00 0.42 H new ATOM 0 HG1 THR A 93 -12.969 -2.118 3.330 1.00 0.74 H new ATOM 0 HG21 THR A 93 -15.592 -0.928 2.342 1.00 0.57 H new ATOM 0 HG22 THR A 93 -16.564 -1.717 3.607 1.00 0.57 H new ATOM 0 HG23 THR A 93 -15.033 -0.917 4.032 1.00 0.57 H new ATOM 1439 N LYS A 94 -17.069 -3.959 4.874 1.00 0.43 N ATOM 1440 CA LYS A 94 -18.366 -4.663 5.034 1.00 0.43 C ATOM 1441 C LYS A 94 -18.268 -6.194 5.031 1.00 0.42 C ATOM 1442 O LYS A 94 -18.378 -6.845 6.067 1.00 0.53 O ATOM 1443 CB LYS A 94 -19.407 -4.181 3.986 1.00 0.45 C ATOM 1444 CG LYS A 94 -18.860 -3.717 2.623 1.00 0.47 C ATOM 1445 CD LYS A 94 -18.298 -4.846 1.776 1.00 0.50 C ATOM 1446 CE LYS A 94 -19.373 -5.685 1.078 1.00 0.41 C ATOM 1447 NZ LYS A 94 -20.491 -6.117 1.958 1.00 0.65 N ATOM 0 H LYS A 94 -17.111 -2.982 5.165 1.00 0.43 H new ATOM 0 HA LYS A 94 -18.707 -4.391 6.033 1.00 0.43 H new ATOM 0 HB2 LYS A 94 -20.112 -4.993 3.810 1.00 0.45 H new ATOM 0 HB3 LYS A 94 -19.972 -3.358 4.423 1.00 0.45 H new ATOM 0 HG2 LYS A 94 -19.658 -3.222 2.070 1.00 0.47 H new ATOM 0 HG3 LYS A 94 -18.079 -2.975 2.788 1.00 0.47 H new ATOM 0 HD2 LYS A 94 -17.631 -4.426 1.023 1.00 0.50 H new ATOM 0 HD3 LYS A 94 -17.695 -5.497 2.408 1.00 0.50 H new ATOM 0 HE2 LYS A 94 -19.783 -5.109 0.249 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -18.903 -6.570 0.649 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -20.835 -7.049 1.650 1.00 0.65 H new ATOM 0 HZ2 LYS A 94 -20.155 -6.179 2.940 1.00 0.65 H new ATOM 0 HZ3 LYS A 94 -21.266 -5.426 1.900 1.00 0.65 H new ATOM 1461 N ASP A 95 -18.034 -6.735 3.855 1.00 0.36 N ATOM 1462 CA ASP A 95 -18.027 -8.150 3.615 1.00 0.40 C ATOM 1463 C ASP A 95 -17.075 -8.472 2.469 1.00 0.37 C ATOM 1464 O ASP A 95 -16.958 -9.621 2.058 1.00 0.47 O ATOM 1465 CB ASP A 95 -19.424 -8.594 3.235 1.00 0.46 C ATOM 1466 CG ASP A 95 -19.770 -10.001 3.683 1.00 0.66 C ATOM 1467 OD1 ASP A 95 -18.913 -10.892 3.546 1.00 0.89 O ATOM 1468 OD2 ASP A 95 -20.883 -10.210 4.203 1.00 1.05 O ATOM 0 H ASP A 95 -17.839 -6.182 3.021 1.00 0.36 H new ATOM 0 HA ASP A 95 -17.700 -8.669 4.516 1.00 0.40 H new ATOM 0 HB2 ASP A 95 -20.144 -7.899 3.667 1.00 0.46 H new ATOM 0 HB3 ASP A 95 -19.531 -8.532 2.152 1.00 0.46 H new ATOM 1473 N LYS A 96 -16.403 -7.457 1.926 1.00 0.29 N ATOM 1474 CA LYS A 96 -15.478 -7.704 0.868 1.00 0.29 C ATOM 1475 C LYS A 96 -14.091 -7.637 1.395 1.00 0.27 C ATOM 1476 O LYS A 96 -13.763 -6.865 2.300 1.00 0.29 O ATOM 1477 CB LYS A 96 -15.570 -6.780 -0.339 1.00 0.30 C ATOM 1478 CG LYS A 96 -16.582 -7.187 -1.360 1.00 0.56 C ATOM 1479 CD LYS A 96 -16.213 -6.566 -2.675 1.00 0.82 C ATOM 1480 CE LYS A 96 -14.925 -7.133 -3.212 1.00 1.00 C ATOM 1481 NZ LYS A 96 -15.200 -8.332 -4.010 1.00 1.29 N ATOM 0 H LYS A 96 -16.492 -6.481 2.208 1.00 0.29 H new ATOM 0 HA LYS A 96 -15.748 -8.695 0.503 1.00 0.29 H new ATOM 0 HB2 LYS A 96 -15.807 -5.774 0.008 1.00 0.30 H new ATOM 0 HB3 LYS A 96 -14.592 -6.730 -0.817 1.00 0.30 H new ATOM 0 HG2 LYS A 96 -16.613 -8.273 -1.450 1.00 0.56 H new ATOM 0 HG3 LYS A 96 -17.577 -6.864 -1.055 1.00 0.56 H new ATOM 0 HD2 LYS A 96 -17.014 -6.734 -3.395 1.00 0.82 H new ATOM 0 HD3 LYS A 96 -16.114 -5.487 -2.554 1.00 0.82 H new ATOM 0 HE2 LYS A 96 -14.417 -6.388 -3.824 1.00 1.00 H new ATOM 0 HE3 LYS A 96 -14.255 -7.380 -2.388 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 -14.306 -8.717 -4.377 1.00 1.29 H new ATOM 0 HZ2 LYS A 96 -15.666 -9.046 -3.415 1.00 1.29 H new ATOM 0 HZ3 LYS A 96 -15.823 -8.084 -4.805 1.00 1.29 H new ATOM 1495 N PHE A 97 -13.305 -8.458 0.801 1.00 0.28 N ATOM 1496 CA PHE A 97 -11.951 -8.670 1.227 1.00 0.29 C ATOM 1497 C PHE A 97 -11.017 -8.708 0.035 1.00 0.32 C ATOM 1498 O PHE A 97 -11.341 -9.283 -1.005 1.00 0.47 O ATOM 1499 CB PHE A 97 -11.878 -9.958 2.024 1.00 0.40 C ATOM 1500 CG PHE A 97 -10.759 -9.992 3.022 1.00 0.46 C ATOM 1501 CD1 PHE A 97 -10.957 -9.532 4.313 1.00 0.62 C ATOM 1502 CD2 PHE A 97 -9.511 -10.482 2.673 1.00 0.65 C ATOM 1503 CE1 PHE A 97 -9.932 -9.555 5.238 1.00 0.75 C ATOM 1504 CE2 PHE A 97 -8.480 -10.507 3.595 1.00 0.77 C ATOM 1505 CZ PHE A 97 -8.692 -10.042 4.879 1.00 0.74 C ATOM 0 H PHE A 97 -13.578 -9.015 -0.008 1.00 0.28 H new ATOM 0 HA PHE A 97 -11.634 -7.843 1.862 1.00 0.29 H new ATOM 0 HB2 PHE A 97 -12.823 -10.104 2.547 1.00 0.40 H new ATOM 0 HB3 PHE A 97 -11.763 -10.794 1.335 1.00 0.40 H new ATOM 0 HD1 PHE A 97 -11.926 -9.150 4.600 1.00 0.62 H new ATOM 0 HD2 PHE A 97 -9.341 -10.848 1.671 1.00 0.65 H new ATOM 0 HE1 PHE A 97 -10.101 -9.192 6.241 1.00 0.75 H new ATOM 0 HE2 PHE A 97 -7.511 -10.889 3.312 1.00 0.77 H new ATOM 0 HZ PHE A 97 -7.888 -10.060 5.600 1.00 0.74 H new ATOM 1515 N ASP A 98 -9.864 -8.106 0.213 1.00 0.31 N ATOM 1516 CA ASP A 98 -8.815 -8.085 -0.807 1.00 0.43 C ATOM 1517 C ASP A 98 -7.471 -7.846 -0.149 1.00 0.36 C ATOM 1518 O ASP A 98 -7.389 -7.178 0.883 1.00 0.36 O ATOM 1519 CB ASP A 98 -9.060 -6.996 -1.859 1.00 0.56 C ATOM 1520 CG ASP A 98 -9.894 -7.456 -3.045 1.00 1.03 C ATOM 1521 OD1 ASP A 98 -9.381 -8.240 -3.880 1.00 1.26 O ATOM 1522 OD2 ASP A 98 -11.081 -7.066 -3.129 1.00 1.60 O ATOM 0 H ASP A 98 -9.616 -7.612 1.070 1.00 0.31 H new ATOM 0 HA ASP A 98 -8.827 -9.051 -1.311 1.00 0.43 H new ATOM 0 HB2 ASP A 98 -9.559 -6.152 -1.383 1.00 0.56 H new ATOM 0 HB3 ASP A 98 -8.098 -6.634 -2.223 1.00 0.56 H new ATOM 1527 N CYS A 99 -6.422 -8.383 -0.744 1.00 0.35 N ATOM 1528 CA CYS A 99 -5.082 -8.231 -0.198 1.00 0.30 C ATOM 1529 C CYS A 99 -4.036 -8.311 -1.295 1.00 0.32 C ATOM 1530 O CYS A 99 -4.225 -8.986 -2.306 1.00 0.42 O ATOM 1531 CB CYS A 99 -4.806 -9.291 0.864 1.00 0.34 C ATOM 1532 SG CYS A 99 -5.112 -10.990 0.320 1.00 1.19 S ATOM 0 H CYS A 99 -6.470 -8.928 -1.605 1.00 0.35 H new ATOM 0 HA CYS A 99 -5.023 -7.247 0.266 1.00 0.30 H new ATOM 0 HB2 CYS A 99 -3.767 -9.206 1.184 1.00 0.34 H new ATOM 0 HB3 CYS A 99 -5.426 -9.084 1.736 1.00 0.34 H new ATOM 0 HG CYS A 99 -4.846 -11.811 1.292 1.00 1.19 H new ATOM 1538 N SER A 100 -2.941 -7.599 -1.093 1.00 0.27 N ATOM 1539 CA SER A 100 -1.868 -7.553 -2.071 1.00 0.30 C ATOM 1540 C SER A 100 -0.520 -7.877 -1.460 1.00 0.31 C ATOM 1541 O SER A 100 -0.271 -7.620 -0.282 1.00 0.42 O ATOM 1542 CB SER A 100 -1.809 -6.193 -2.747 1.00 0.38 C ATOM 1543 OG SER A 100 -2.011 -5.151 -1.814 1.00 0.84 O ATOM 0 H SER A 100 -2.771 -7.042 -0.256 1.00 0.27 H new ATOM 0 HA SER A 100 -2.092 -8.318 -2.815 1.00 0.30 H new ATOM 0 HB2 SER A 100 -0.842 -6.067 -3.233 1.00 0.38 H new ATOM 0 HB3 SER A 100 -2.568 -6.138 -3.528 1.00 0.38 H new ATOM 0 HG SER A 100 -2.943 -4.851 -1.856 1.00 0.84 H new ATOM 1549 N ASN A 101 0.326 -8.455 -2.285 1.00 0.34 N ATOM 1550 CA ASN A 101 1.682 -8.808 -1.891 1.00 0.37 C ATOM 1551 C ASN A 101 2.656 -8.336 -2.965 1.00 0.42 C ATOM 1552 O ASN A 101 2.677 -8.855 -4.077 1.00 0.65 O ATOM 1553 CB ASN A 101 1.819 -10.323 -1.615 1.00 0.60 C ATOM 1554 CG ASN A 101 1.594 -11.245 -2.817 1.00 0.97 C ATOM 1555 OD1 ASN A 101 2.178 -12.326 -2.889 1.00 1.58 O ATOM 1556 ND2 ASN A 101 0.750 -10.845 -3.763 1.00 1.05 N ATOM 0 H ASN A 101 0.098 -8.696 -3.250 1.00 0.34 H new ATOM 0 HA ASN A 101 1.922 -8.305 -0.954 1.00 0.37 H new ATOM 0 HB2 ASN A 101 2.817 -10.512 -1.219 1.00 0.60 H new ATOM 0 HB3 ASN A 101 1.109 -10.596 -0.834 1.00 0.60 H new ATOM 0 HD21 ASN A 101 0.573 -11.439 -4.573 1.00 1.05 H new ATOM 0 HD22 ASN A 101 0.279 -9.944 -3.679 1.00 1.05 H new ATOM 1563 N PHE A 102 3.437 -7.318 -2.643 1.00 0.31 N ATOM 1564 CA PHE A 102 4.281 -6.684 -3.630 1.00 0.38 C ATOM 1565 C PHE A 102 5.614 -6.317 -3.015 1.00 0.30 C ATOM 1566 O PHE A 102 5.691 -5.708 -1.946 1.00 0.37 O ATOM 1567 CB PHE A 102 3.585 -5.471 -4.250 1.00 0.57 C ATOM 1568 CG PHE A 102 3.006 -4.483 -3.280 1.00 0.46 C ATOM 1569 CD1 PHE A 102 1.879 -4.788 -2.533 1.00 0.59 C ATOM 1570 CD2 PHE A 102 3.576 -3.235 -3.143 1.00 0.61 C ATOM 1571 CE1 PHE A 102 1.342 -3.864 -1.663 1.00 0.74 C ATOM 1572 CE2 PHE A 102 3.040 -2.306 -2.280 1.00 0.84 C ATOM 1573 CZ PHE A 102 1.923 -2.622 -1.540 1.00 0.86 C ATOM 0 H PHE A 102 3.501 -6.917 -1.707 1.00 0.31 H new ATOM 0 HA PHE A 102 4.468 -7.390 -4.439 1.00 0.38 H new ATOM 0 HB2 PHE A 102 4.301 -4.950 -4.885 1.00 0.57 H new ATOM 0 HB3 PHE A 102 2.784 -5.827 -4.898 1.00 0.57 H new ATOM 0 HD1 PHE A 102 1.417 -5.759 -2.634 1.00 0.59 H new ATOM 0 HD2 PHE A 102 4.454 -2.983 -3.720 1.00 0.61 H new ATOM 0 HE1 PHE A 102 0.468 -4.113 -1.079 1.00 0.74 H new ATOM 0 HE2 PHE A 102 3.495 -1.331 -2.184 1.00 0.84 H new ATOM 0 HZ PHE A 102 1.502 -1.894 -0.862 1.00 0.86 H new ATOM 1583 N ASN A 103 6.657 -6.721 -3.694 1.00 0.24 N ATOM 1584 CA ASN A 103 7.982 -6.666 -3.174 1.00 0.25 C ATOM 1585 C ASN A 103 8.766 -5.544 -3.804 1.00 0.28 C ATOM 1586 O ASN A 103 8.622 -5.219 -4.975 1.00 0.49 O ATOM 1587 CB ASN A 103 8.693 -7.975 -3.472 1.00 0.33 C ATOM 1588 CG ASN A 103 7.918 -9.197 -3.056 1.00 1.08 C ATOM 1589 OD1 ASN A 103 8.047 -9.685 -1.931 1.00 2.11 O ATOM 1590 ND2 ASN A 103 7.115 -9.707 -3.959 1.00 1.25 N ATOM 0 H ASN A 103 6.599 -7.102 -4.638 1.00 0.24 H new ATOM 0 HA ASN A 103 7.918 -6.495 -2.099 1.00 0.25 H new ATOM 0 HB2 ASN A 103 8.896 -8.032 -4.541 1.00 0.33 H new ATOM 0 HB3 ASN A 103 9.657 -7.978 -2.964 1.00 0.33 H new ATOM 0 HD21 ASN A 103 6.567 -10.540 -3.742 1.00 1.25 H new ATOM 0 HD22 ASN A 103 7.039 -9.271 -4.878 1.00 1.25 H new ATOM 1597 N LEU A 104 9.614 -4.989 -3.013 1.00 0.23 N ATOM 1598 CA LEU A 104 10.554 -3.977 -3.479 1.00 0.24 C ATOM 1599 C LEU A 104 11.957 -4.532 -3.404 1.00 0.25 C ATOM 1600 O LEU A 104 12.448 -4.892 -2.346 1.00 0.37 O ATOM 1601 CB LEU A 104 10.466 -2.656 -2.684 1.00 0.27 C ATOM 1602 CG LEU A 104 11.780 -1.943 -2.511 1.00 0.25 C ATOM 1603 CD1 LEU A 104 11.922 -0.864 -3.561 1.00 0.28 C ATOM 1604 CD2 LEU A 104 11.956 -1.367 -1.114 1.00 0.30 C ATOM 0 H LEU A 104 9.693 -5.209 -2.020 1.00 0.23 H new ATOM 0 HA LEU A 104 10.290 -3.737 -4.509 1.00 0.24 H new ATOM 0 HB2 LEU A 104 9.769 -1.988 -3.190 1.00 0.27 H new ATOM 0 HB3 LEU A 104 10.049 -2.866 -1.699 1.00 0.27 H new ATOM 0 HG LEU A 104 12.572 -2.681 -2.641 1.00 0.25 H new ATOM 0 HD11 LEU A 104 12.875 -0.352 -3.430 1.00 0.28 H new ATOM 0 HD12 LEU A 104 11.885 -1.314 -4.553 1.00 0.28 H new ATOM 0 HD13 LEU A 104 11.108 -0.147 -3.458 1.00 0.28 H new ATOM 0 HD21 LEU A 104 12.921 -0.864 -1.047 1.00 0.30 H new ATOM 0 HD22 LEU A 104 11.159 -0.651 -0.913 1.00 0.30 H new ATOM 0 HD23 LEU A 104 11.914 -2.172 -0.381 1.00 0.30 H new ATOM 1616 N THR A 105 12.600 -4.628 -4.523 1.00 0.23 N ATOM 1617 CA THR A 105 13.968 -5.077 -4.527 1.00 0.24 C ATOM 1618 C THR A 105 14.885 -3.878 -4.520 1.00 0.21 C ATOM 1619 O THR A 105 15.137 -3.265 -5.552 1.00 0.22 O ATOM 1620 CB THR A 105 14.284 -5.958 -5.736 1.00 0.28 C ATOM 1621 OG1 THR A 105 13.279 -6.975 -5.865 1.00 0.33 O ATOM 1622 CG2 THR A 105 15.654 -6.600 -5.585 1.00 0.32 C ATOM 0 H THR A 105 12.212 -4.406 -5.440 1.00 0.23 H new ATOM 0 HA THR A 105 14.123 -5.682 -3.633 1.00 0.24 H new ATOM 0 HB THR A 105 14.290 -5.337 -6.632 1.00 0.28 H new ATOM 0 HG1 THR A 105 13.481 -7.538 -6.641 1.00 0.33 H new ATOM 0 HG21 THR A 105 15.862 -7.223 -6.455 1.00 0.32 H new ATOM 0 HG22 THR A 105 16.414 -5.822 -5.506 1.00 0.32 H new ATOM 0 HG23 THR A 105 15.670 -7.215 -4.685 1.00 0.32 H new ATOM 1630 N VAL A 106 15.351 -3.533 -3.341 1.00 0.23 N ATOM 1631 CA VAL A 106 16.191 -2.388 -3.158 1.00 0.23 C ATOM 1632 C VAL A 106 17.638 -2.781 -3.396 1.00 0.25 C ATOM 1633 O VAL A 106 18.247 -3.580 -2.686 1.00 0.28 O ATOM 1634 CB VAL A 106 15.990 -1.733 -1.772 1.00 0.27 C ATOM 1635 CG1 VAL A 106 16.261 -2.705 -0.657 1.00 0.31 C ATOM 1636 CG2 VAL A 106 16.806 -0.459 -1.643 1.00 0.33 C ATOM 0 H VAL A 106 15.153 -4.046 -2.482 1.00 0.23 H new ATOM 0 HA VAL A 106 15.909 -1.630 -3.889 1.00 0.23 H new ATOM 0 HB VAL A 106 14.942 -1.447 -1.685 1.00 0.27 H new ATOM 0 HG11 VAL A 106 16.110 -2.210 0.302 1.00 0.31 H new ATOM 0 HG12 VAL A 106 15.580 -3.552 -0.739 1.00 0.31 H new ATOM 0 HG13 VAL A 106 17.290 -3.059 -0.725 1.00 0.31 H new ATOM 0 HG21 VAL A 106 16.644 -0.021 -0.658 1.00 0.33 H new ATOM 0 HG22 VAL A 106 17.864 -0.690 -1.768 1.00 0.33 H new ATOM 0 HG23 VAL A 106 16.497 0.250 -2.411 1.00 0.33 H new ATOM 1646 N HIS A 107 18.134 -2.214 -4.448 1.00 0.26 N ATOM 1647 CA HIS A 107 19.455 -2.492 -4.968 1.00 0.31 C ATOM 1648 C HIS A 107 20.462 -1.617 -4.267 1.00 0.34 C ATOM 1649 O HIS A 107 20.603 -0.438 -4.579 1.00 0.36 O ATOM 1650 CB HIS A 107 19.539 -2.214 -6.476 1.00 0.36 C ATOM 1651 CG HIS A 107 18.651 -3.065 -7.332 1.00 0.43 C ATOM 1652 ND1 HIS A 107 19.077 -4.218 -7.944 1.00 1.19 N ATOM 1653 CD2 HIS A 107 17.359 -2.902 -7.708 1.00 0.70 C ATOM 1654 CE1 HIS A 107 18.091 -4.729 -8.651 1.00 1.10 C ATOM 1655 NE2 HIS A 107 17.036 -3.953 -8.533 1.00 0.53 N ATOM 0 H HIS A 107 17.623 -1.521 -4.994 1.00 0.26 H new ATOM 0 HA HIS A 107 19.665 -3.547 -4.794 1.00 0.31 H new ATOM 0 HB2 HIS A 107 19.290 -1.167 -6.651 1.00 0.36 H new ATOM 0 HB3 HIS A 107 20.571 -2.355 -6.798 1.00 0.36 H new ATOM 0 HD1 HIS A 107 20.012 -4.617 -7.863 1.00 1.19 H new ATOM 0 HD2 HIS A 107 16.704 -2.095 -7.414 1.00 0.70 H new ATOM 0 HE1 HIS A 107 18.141 -5.637 -9.233 1.00 1.10 H new ATOM 1664 N GLU A 108 21.128 -2.193 -3.307 1.00 0.45 N ATOM 1665 CA GLU A 108 22.216 -1.510 -2.617 1.00 0.56 C ATOM 1666 C GLU A 108 23.363 -1.200 -3.572 1.00 0.71 C ATOM 1667 O GLU A 108 23.552 -0.054 -3.978 1.00 1.33 O ATOM 1668 CB GLU A 108 22.721 -2.343 -1.439 1.00 0.71 C ATOM 1669 CG GLU A 108 23.821 -1.650 -0.648 1.00 0.87 C ATOM 1670 CD GLU A 108 24.327 -2.481 0.508 1.00 1.20 C ATOM 1671 OE1 GLU A 108 24.479 -3.711 0.339 1.00 1.66 O ATOM 1672 OE2 GLU A 108 24.582 -1.915 1.587 1.00 1.67 O ATOM 0 H GLU A 108 20.945 -3.139 -2.974 1.00 0.45 H new ATOM 0 HA GLU A 108 21.824 -0.568 -2.234 1.00 0.56 H new ATOM 0 HB2 GLU A 108 21.887 -2.564 -0.773 1.00 0.71 H new ATOM 0 HB3 GLU A 108 23.094 -3.298 -1.810 1.00 0.71 H new ATOM 0 HG2 GLU A 108 24.652 -1.421 -1.315 1.00 0.87 H new ATOM 0 HG3 GLU A 108 23.445 -0.700 -0.269 1.00 0.87 H new