USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1007 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 68 LYS NZ :NH3+ 175:sc= -0.0102 (180deg=-0.0528) USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= -1.87 USER MOD Set 2.1: A 54 THR OG1 : rot -60:sc= 1 USER MOD Set 2.2: A 57 SER OG : rot 46:sc= 0.586 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 19:sc= 0.735 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 46:sc= 0.447 USER MOD Single : A 14 THR OG1 : rot -0:sc= -0.271! USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.00905 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0528 X(o=-0.053,f=-0.29) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -3.64! C(o=-3.6!,f=-9.3!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -124:sc= -0.223 (180deg=-1.65) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -108:sc= -1.19! USER MOD Single : A 42 HIS : no HD1:sc= -0.604 K(o=-0.6,f=-2.2!) USER MOD Single : A 43 GLN : amide:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 46 THR OG1 : rot -22:sc= 0.619 USER MOD Single : A 48 ASN : amide:sc= -3.76! X(o=-3.8!,f=-4) USER MOD Single : A 50 GLN : amide:sc=-0.00843 X(o=-0.0084,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.08) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.19 F(o=-0.7,f=-0.19) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -11:sc= 1.08 USER MOD Single : A 72 MET CE :methyl -141:sc= -9.15! (180deg=-13.7!) USER MOD Single : A 75 ASN : amide:sc= -0.0488 X(o=-0.049,f=0) USER MOD Single : A 76 ASN : amide:sc= -3.53! C(o=-3.5!,f=-4.1!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 70:sc= 0.855 USER MOD Single : A 87 SER OG : rot 180:sc= -0.025 USER MOD Single : A 88 LYS NZ :NH3+ -112:sc= -1.02 (180deg=-4.76!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0905 USER MOD Single : A 99 CYS SG : rot 180:sc= -0.0783 USER MOD Single : A 101 LYS NZ :NH3+ 166:sc= -7.04! (180deg=-8.4!) USER MOD Single : A 102 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00157) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot -170:sc= -0.262 USER MOD Single : A 113 GLN : amide:sc= -0.234 X(o=-0.23,f=0.00099) USER MOD Single : A 116 LYS NZ :NH3+ -147:sc= -0.388 (180deg=-1.17) USER MOD Single : A 118 CYS SG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.718 -31.896 18.328 1.00 0.00 N ATOM 2 CA GLY A 1 -26.767 -32.825 17.946 1.00 0.00 C ATOM 3 C GLY A 1 -27.566 -33.282 19.168 1.00 0.00 C ATOM 4 O GLY A 1 -28.246 -32.479 19.806 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.191 -31.601 17.482 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.142 -31.061 18.781 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.070 -32.360 18.996 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.435 -32.350 17.227 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.328 -33.690 17.449 1.00 0.00 H new ATOM 8 N SER A 2 -27.458 -34.570 19.458 1.00 0.00 N ATOM 9 CA SER A 2 -28.163 -35.144 20.592 1.00 0.00 C ATOM 10 C SER A 2 -27.220 -36.045 21.392 1.00 0.00 C ATOM 11 O SER A 2 -26.746 -37.060 20.884 1.00 0.00 O ATOM 12 CB SER A 2 -29.391 -35.934 20.136 1.00 0.00 C ATOM 13 OG SER A 2 -29.033 -37.161 19.507 1.00 0.00 O ATOM 0 H SER A 2 -26.893 -35.233 18.927 1.00 0.00 H new ATOM 0 HA SER A 2 -28.506 -34.329 21.229 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.029 -36.140 20.995 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.975 -35.328 19.443 1.00 0.00 H new ATOM 0 HG SER A 2 -28.117 -37.402 19.758 1.00 0.00 H new ATOM 19 N SER A 3 -26.975 -35.640 22.630 1.00 0.00 N ATOM 20 CA SER A 3 -26.097 -36.398 23.505 1.00 0.00 C ATOM 21 C SER A 3 -26.114 -35.797 24.911 1.00 0.00 C ATOM 22 O SER A 3 -26.443 -36.482 25.879 1.00 0.00 O ATOM 23 CB SER A 3 -24.668 -36.430 22.958 1.00 0.00 C ATOM 24 OG SER A 3 -24.085 -37.726 23.066 1.00 0.00 O ATOM 0 H SER A 3 -27.369 -34.797 23.047 1.00 0.00 H new ATOM 0 HA SER A 3 -26.462 -37.424 23.551 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.673 -36.120 21.913 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.055 -35.710 23.501 1.00 0.00 H new ATOM 0 HG SER A 3 -23.174 -37.706 22.705 1.00 0.00 H new ATOM 30 N GLY A 4 -25.755 -34.523 24.980 1.00 0.00 N ATOM 31 CA GLY A 4 -25.725 -33.822 26.253 1.00 0.00 C ATOM 32 C GLY A 4 -25.547 -32.317 26.045 1.00 0.00 C ATOM 33 O GLY A 4 -26.242 -31.713 25.229 1.00 0.00 O ATOM 0 H GLY A 4 -25.483 -33.958 24.175 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.650 -34.011 26.798 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.910 -34.207 26.865 1.00 0.00 H new ATOM 37 N SER A 5 -24.612 -31.755 26.797 1.00 0.00 N ATOM 38 CA SER A 5 -24.334 -30.331 26.705 1.00 0.00 C ATOM 39 C SER A 5 -22.826 -30.099 26.603 1.00 0.00 C ATOM 40 O SER A 5 -22.108 -30.214 27.595 1.00 0.00 O ATOM 41 CB SER A 5 -24.907 -29.580 27.909 1.00 0.00 C ATOM 42 OG SER A 5 -24.682 -28.176 27.818 1.00 0.00 O ATOM 0 H SER A 5 -24.038 -32.259 27.472 1.00 0.00 H new ATOM 0 HA SER A 5 -24.816 -29.945 25.807 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.978 -29.772 27.980 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.453 -29.961 28.824 1.00 0.00 H new ATOM 0 HG SER A 5 -25.064 -27.732 28.604 1.00 0.00 H new ATOM 48 N SER A 6 -22.390 -29.775 25.394 1.00 0.00 N ATOM 49 CA SER A 6 -20.979 -29.525 25.150 1.00 0.00 C ATOM 50 C SER A 6 -20.813 -28.617 23.930 1.00 0.00 C ATOM 51 O SER A 6 -21.345 -28.907 22.859 1.00 0.00 O ATOM 52 CB SER A 6 -20.215 -30.835 24.945 1.00 0.00 C ATOM 53 OG SER A 6 -18.963 -30.834 25.625 1.00 0.00 O ATOM 0 H SER A 6 -22.988 -29.680 24.573 1.00 0.00 H new ATOM 0 HA SER A 6 -20.563 -29.027 26.026 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.821 -31.668 25.302 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.049 -30.995 23.880 1.00 0.00 H new ATOM 0 HG SER A 6 -18.507 -31.687 25.471 1.00 0.00 H new ATOM 59 N GLY A 7 -20.073 -27.537 24.132 1.00 0.00 N ATOM 60 CA GLY A 7 -19.829 -26.585 23.062 1.00 0.00 C ATOM 61 C GLY A 7 -19.646 -25.171 23.617 1.00 0.00 C ATOM 62 O GLY A 7 -20.093 -24.872 24.723 1.00 0.00 O ATOM 0 H GLY A 7 -19.634 -27.300 25.022 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.939 -26.879 22.505 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.663 -26.599 22.361 1.00 0.00 H new ATOM 66 N VAL A 8 -18.988 -24.339 22.823 1.00 0.00 N ATOM 67 CA VAL A 8 -18.740 -22.964 23.221 1.00 0.00 C ATOM 68 C VAL A 8 -19.183 -22.025 22.097 1.00 0.00 C ATOM 69 O VAL A 8 -19.108 -22.379 20.922 1.00 0.00 O ATOM 70 CB VAL A 8 -17.270 -22.787 23.604 1.00 0.00 C ATOM 71 CG1 VAL A 8 -16.352 -23.131 22.429 1.00 0.00 C ATOM 72 CG2 VAL A 8 -17.002 -21.368 24.111 1.00 0.00 C ATOM 0 H VAL A 8 -18.619 -24.591 21.906 1.00 0.00 H new ATOM 0 HA VAL A 8 -19.324 -22.711 24.105 1.00 0.00 H new ATOM 0 HB VAL A 8 -17.050 -23.480 24.416 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -15.312 -22.997 22.728 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -16.513 -24.167 22.133 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -16.575 -22.474 21.588 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.949 -21.269 24.376 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -17.248 -20.650 23.329 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -17.617 -21.173 24.989 1.00 0.00 H new ATOM 82 N VAL A 9 -19.634 -20.845 22.499 1.00 0.00 N ATOM 83 CA VAL A 9 -20.089 -19.852 21.540 1.00 0.00 C ATOM 84 C VAL A 9 -18.905 -18.982 21.114 1.00 0.00 C ATOM 85 O VAL A 9 -17.938 -18.835 21.859 1.00 0.00 O ATOM 86 CB VAL A 9 -21.244 -19.043 22.133 1.00 0.00 C ATOM 87 CG1 VAL A 9 -20.754 -18.137 23.264 1.00 0.00 C ATOM 88 CG2 VAL A 9 -21.957 -18.231 21.050 1.00 0.00 C ATOM 0 H VAL A 9 -19.694 -20.555 23.475 1.00 0.00 H new ATOM 0 HA VAL A 9 -20.476 -20.335 20.643 1.00 0.00 H new ATOM 0 HB VAL A 9 -21.964 -19.745 22.554 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -21.594 -17.573 23.668 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -20.313 -18.746 24.053 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -20.005 -17.446 22.878 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -22.774 -17.665 21.498 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -21.250 -17.543 20.587 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -22.356 -18.906 20.293 1.00 0.00 H new ATOM 98 N ALA A 10 -19.021 -18.426 19.917 1.00 0.00 N ATOM 99 CA ALA A 10 -17.973 -17.573 19.383 1.00 0.00 C ATOM 100 C ALA A 10 -18.507 -16.148 19.234 1.00 0.00 C ATOM 101 O ALA A 10 -19.219 -15.844 18.278 1.00 0.00 O ATOM 102 CB ALA A 10 -17.472 -18.150 18.057 1.00 0.00 C ATOM 0 H ALA A 10 -19.825 -18.550 19.302 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.123 -17.536 20.065 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -16.686 -17.510 17.656 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -17.076 -19.152 18.223 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -18.297 -18.199 17.347 1.00 0.00 H new ATOM 108 N PRO A 11 -18.134 -15.288 20.219 1.00 0.00 N ATOM 109 CA PRO A 11 -18.568 -13.901 20.207 1.00 0.00 C ATOM 110 C PRO A 11 -17.795 -13.094 19.162 1.00 0.00 C ATOM 111 O PRO A 11 -16.675 -12.653 19.418 1.00 0.00 O ATOM 112 CB PRO A 11 -18.343 -13.406 21.626 1.00 0.00 C ATOM 113 CG PRO A 11 -17.365 -14.383 22.259 1.00 0.00 C ATOM 114 CD PRO A 11 -17.292 -15.612 21.367 1.00 0.00 C ATOM 0 HA PRO A 11 -19.614 -13.790 19.922 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -17.939 -12.394 21.627 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -19.280 -13.376 22.182 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -16.381 -13.926 22.361 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -17.694 -14.658 23.261 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -16.267 -15.818 21.060 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -17.654 -16.500 21.886 1.00 0.00 H new ATOM 122 N ILE A 12 -18.422 -12.925 18.008 1.00 0.00 N ATOM 123 CA ILE A 12 -17.807 -12.179 16.924 1.00 0.00 C ATOM 124 C ILE A 12 -17.630 -10.720 17.351 1.00 0.00 C ATOM 125 O ILE A 12 -18.601 -10.049 17.698 1.00 0.00 O ATOM 126 CB ILE A 12 -18.611 -12.349 15.633 1.00 0.00 C ATOM 127 CG1 ILE A 12 -17.701 -12.751 14.470 1.00 0.00 C ATOM 128 CG2 ILE A 12 -19.418 -11.088 15.320 1.00 0.00 C ATOM 129 CD1 ILE A 12 -17.269 -11.525 13.663 1.00 0.00 C ATOM 0 H ILE A 12 -19.351 -13.292 17.800 1.00 0.00 H new ATOM 0 HA ILE A 12 -16.813 -12.571 16.707 1.00 0.00 H new ATOM 0 HB ILE A 12 -19.325 -13.160 15.779 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -16.821 -13.267 14.854 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -18.224 -13.453 13.820 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -19.980 -11.235 14.398 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -20.109 -10.886 16.138 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -18.740 -10.243 15.201 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -16.623 -11.838 12.843 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -18.150 -11.025 13.261 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -16.725 -10.837 14.310 1.00 0.00 H new ATOM 141 N THR A 13 -16.384 -10.272 17.310 1.00 0.00 N ATOM 142 CA THR A 13 -16.068 -8.905 17.688 1.00 0.00 C ATOM 143 C THR A 13 -15.357 -8.185 16.541 1.00 0.00 C ATOM 144 O THR A 13 -14.256 -8.570 16.149 1.00 0.00 O ATOM 145 CB THR A 13 -15.248 -8.950 18.979 1.00 0.00 C ATOM 146 OG1 THR A 13 -14.180 -9.845 18.681 1.00 0.00 O ATOM 147 CG2 THR A 13 -15.997 -9.631 20.126 1.00 0.00 C ATOM 0 H THR A 13 -15.581 -10.831 17.021 1.00 0.00 H new ATOM 0 HA THR A 13 -16.973 -8.328 17.880 1.00 0.00 H new ATOM 0 HB THR A 13 -14.980 -7.935 19.274 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.806 -9.627 17.802 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.370 -9.636 21.018 1.00 0.00 H new ATOM 0 HG22 THR A 13 -16.918 -9.086 20.333 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.237 -10.657 19.846 1.00 0.00 H new ATOM 155 N THR A 14 -16.015 -7.153 16.034 1.00 0.00 N ATOM 156 CA THR A 14 -15.459 -6.376 14.939 1.00 0.00 C ATOM 157 C THR A 14 -14.871 -7.302 13.872 1.00 0.00 C ATOM 158 O THR A 14 -15.313 -8.440 13.721 1.00 0.00 O ATOM 159 CB THR A 14 -14.438 -5.398 15.524 1.00 0.00 C ATOM 160 OG1 THR A 14 -13.316 -6.216 15.842 1.00 0.00 O ATOM 161 CG2 THR A 14 -14.879 -4.830 16.874 1.00 0.00 C ATOM 0 H THR A 14 -16.928 -6.837 16.361 1.00 0.00 H new ATOM 0 HA THR A 14 -16.232 -5.798 14.432 1.00 0.00 H new ATOM 0 HB THR A 14 -14.275 -4.581 14.822 1.00 0.00 H new ATOM 0 HG1 THR A 14 -13.511 -7.146 15.604 1.00 0.00 H new ATOM 0 HG21 THR A 14 -14.119 -4.142 17.245 1.00 0.00 H new ATOM 0 HG22 THR A 14 -15.823 -4.298 16.754 1.00 0.00 H new ATOM 0 HG23 THR A 14 -15.010 -5.645 17.586 1.00 0.00 H new ATOM 169 N GLY A 15 -13.884 -6.780 13.160 1.00 0.00 N ATOM 170 CA GLY A 15 -13.231 -7.545 12.111 1.00 0.00 C ATOM 171 C GLY A 15 -11.808 -7.039 11.868 1.00 0.00 C ATOM 172 O GLY A 15 -11.545 -5.842 11.972 1.00 0.00 O ATOM 0 H GLY A 15 -13.520 -5.836 13.289 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -13.204 -8.599 12.388 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -13.809 -7.472 11.190 1.00 0.00 H new ATOM 176 N TYR A 16 -10.928 -7.976 11.549 1.00 0.00 N ATOM 177 CA TYR A 16 -9.538 -7.640 11.290 1.00 0.00 C ATOM 178 C TYR A 16 -9.411 -6.745 10.055 1.00 0.00 C ATOM 179 O TYR A 16 -10.415 -6.308 9.495 1.00 0.00 O ATOM 180 CB TYR A 16 -8.827 -8.967 11.018 1.00 0.00 C ATOM 181 CG TYR A 16 -9.525 -9.845 9.978 1.00 0.00 C ATOM 182 CD1 TYR A 16 -9.653 -9.404 8.676 1.00 0.00 C ATOM 183 CD2 TYR A 16 -10.026 -11.078 10.341 1.00 0.00 C ATOM 184 CE1 TYR A 16 -10.309 -10.231 7.697 1.00 0.00 C ATOM 185 CE2 TYR A 16 -10.683 -11.905 9.362 1.00 0.00 C ATOM 186 CZ TYR A 16 -10.792 -11.441 8.088 1.00 0.00 C ATOM 187 OH TYR A 16 -11.413 -12.221 7.163 1.00 0.00 O ATOM 0 H TYR A 16 -11.150 -8.968 11.464 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.110 -7.101 12.135 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.811 -8.761 10.681 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.747 -9.523 11.952 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.261 -8.439 8.392 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.926 -11.423 11.359 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.415 -9.898 6.675 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -11.080 -12.872 9.633 1.00 0.00 H new ATOM 0 HH TYR A 16 -11.706 -13.057 7.583 1.00 0.00 H new ATOM 197 N THR A 17 -8.168 -6.498 9.668 1.00 0.00 N ATOM 198 CA THR A 17 -7.897 -5.663 8.510 1.00 0.00 C ATOM 199 C THR A 17 -7.775 -6.522 7.250 1.00 0.00 C ATOM 200 O THR A 17 -7.319 -7.663 7.313 1.00 0.00 O ATOM 201 CB THR A 17 -6.644 -4.837 8.806 1.00 0.00 C ATOM 202 OG1 THR A 17 -6.569 -4.818 10.229 1.00 0.00 O ATOM 203 CG2 THR A 17 -6.809 -3.365 8.421 1.00 0.00 C ATOM 0 H THR A 17 -7.338 -6.861 10.136 1.00 0.00 H new ATOM 0 HA THR A 17 -8.720 -4.974 8.317 1.00 0.00 H new ATOM 0 HB THR A 17 -5.795 -5.260 8.269 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.783 -4.304 10.508 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.892 -2.824 8.652 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.017 -3.289 7.354 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.637 -2.932 8.983 1.00 0.00 H new ATOM 211 N VAL A 18 -8.192 -5.941 6.134 1.00 0.00 N ATOM 212 CA VAL A 18 -8.135 -6.639 4.861 1.00 0.00 C ATOM 213 C VAL A 18 -6.693 -6.638 4.347 1.00 0.00 C ATOM 214 O VAL A 18 -5.905 -5.763 4.701 1.00 0.00 O ATOM 215 CB VAL A 18 -9.121 -6.010 3.875 1.00 0.00 C ATOM 216 CG1 VAL A 18 -8.877 -6.523 2.454 1.00 0.00 C ATOM 217 CG2 VAL A 18 -10.566 -6.263 4.308 1.00 0.00 C ATOM 0 H VAL A 18 -8.571 -4.995 6.085 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.436 -7.680 4.982 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.955 -4.933 3.876 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.591 -6.061 1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.863 -6.269 2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.003 -7.605 2.431 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.246 -5.805 3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.751 -7.336 4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.732 -5.828 5.293 1.00 0.00 H new ATOM 227 N LYS A 19 -6.392 -7.629 3.521 1.00 0.00 N ATOM 228 CA LYS A 19 -5.060 -7.754 2.956 1.00 0.00 C ATOM 229 C LYS A 19 -5.098 -7.356 1.479 1.00 0.00 C ATOM 230 O LYS A 19 -5.741 -8.022 0.669 1.00 0.00 O ATOM 231 CB LYS A 19 -4.503 -9.158 3.200 1.00 0.00 C ATOM 232 CG LYS A 19 -3.629 -9.613 2.030 1.00 0.00 C ATOM 233 CD LYS A 19 -2.923 -10.931 2.352 1.00 0.00 C ATOM 234 CE LYS A 19 -1.408 -10.738 2.428 1.00 0.00 C ATOM 235 NZ LYS A 19 -0.713 -12.040 2.324 1.00 0.00 N ATOM 0 H LYS A 19 -7.048 -8.353 3.229 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.370 -7.072 3.453 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.918 -9.166 4.120 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.325 -9.860 3.339 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.244 -9.734 1.138 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.889 -8.845 1.805 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.291 -11.322 3.300 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.161 -11.671 1.588 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.079 -10.078 1.625 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.144 -10.252 3.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.315 -11.890 2.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.014 -12.658 3.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.951 -12.489 1.416 1.00 0.00 H new ATOM 249 N ILE A 20 -4.400 -6.272 1.173 1.00 0.00 N ATOM 250 CA ILE A 20 -4.346 -5.777 -0.192 1.00 0.00 C ATOM 251 C ILE A 20 -3.467 -6.706 -1.032 1.00 0.00 C ATOM 252 O ILE A 20 -2.257 -6.504 -1.125 1.00 0.00 O ATOM 253 CB ILE A 20 -3.895 -4.315 -0.215 1.00 0.00 C ATOM 254 CG1 ILE A 20 -4.687 -3.481 0.794 1.00 0.00 C ATOM 255 CG2 ILE A 20 -3.980 -3.737 -1.629 1.00 0.00 C ATOM 256 CD1 ILE A 20 -4.217 -2.025 0.791 1.00 0.00 C ATOM 0 H ILE A 20 -3.867 -5.723 1.847 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.340 -5.786 -0.640 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.848 -4.276 0.086 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.749 -3.524 0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.569 -3.903 1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.654 -2.697 -1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.337 -4.311 -2.296 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.010 -3.790 -1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.796 -1.454 1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.161 -1.983 1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.359 -1.599 -0.202 1.00 0.00 H new ATOM 268 N SER A 21 -4.109 -7.703 -1.622 1.00 0.00 N ATOM 269 CA SER A 21 -3.400 -8.663 -2.450 1.00 0.00 C ATOM 270 C SER A 21 -3.053 -8.033 -3.801 1.00 0.00 C ATOM 271 O SER A 21 -1.880 -7.910 -4.149 1.00 0.00 O ATOM 272 CB SER A 21 -4.229 -9.933 -2.655 1.00 0.00 C ATOM 273 OG SER A 21 -3.426 -11.109 -2.601 1.00 0.00 O ATOM 0 H SER A 21 -5.113 -7.867 -1.543 1.00 0.00 H new ATOM 0 HA SER A 21 -2.479 -8.941 -1.938 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.004 -9.988 -1.890 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.735 -9.884 -3.619 1.00 0.00 H new ATOM 0 HG SER A 21 -3.992 -11.898 -2.734 1.00 0.00 H new ATOM 279 N ASN A 22 -4.095 -7.651 -4.524 1.00 0.00 N ATOM 280 CA ASN A 22 -3.915 -7.036 -5.829 1.00 0.00 C ATOM 281 C ASN A 22 -3.652 -5.540 -5.651 1.00 0.00 C ATOM 282 O ASN A 22 -4.483 -4.822 -5.096 1.00 0.00 O ATOM 283 CB ASN A 22 -5.169 -7.197 -6.691 1.00 0.00 C ATOM 284 CG ASN A 22 -4.851 -7.947 -7.986 1.00 0.00 C ATOM 285 OD1 ASN A 22 -4.137 -8.937 -8.002 1.00 0.00 O ATOM 286 ND2 ASN A 22 -5.418 -7.422 -9.068 1.00 0.00 N ATOM 0 H ASN A 22 -5.067 -7.755 -4.232 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.074 -7.526 -6.320 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.932 -7.738 -6.131 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.581 -6.216 -6.927 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.266 -7.849 -9.982 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.005 -6.592 -8.984 1.00 0.00 H new ATOM 293 N TYR A 23 -2.494 -5.113 -6.132 1.00 0.00 N ATOM 294 CA TYR A 23 -2.111 -3.715 -6.034 1.00 0.00 C ATOM 295 C TYR A 23 -1.224 -3.305 -7.211 1.00 0.00 C ATOM 296 O TYR A 23 -0.264 -3.999 -7.541 1.00 0.00 O ATOM 297 CB TYR A 23 -1.309 -3.588 -4.737 1.00 0.00 C ATOM 298 CG TYR A 23 -0.142 -4.571 -4.629 1.00 0.00 C ATOM 299 CD1 TYR A 23 1.045 -4.308 -5.282 1.00 0.00 C ATOM 300 CD2 TYR A 23 -0.276 -5.721 -3.878 1.00 0.00 C ATOM 301 CE1 TYR A 23 2.144 -5.233 -5.180 1.00 0.00 C ATOM 302 CE2 TYR A 23 0.823 -6.646 -3.776 1.00 0.00 C ATOM 303 CZ TYR A 23 1.979 -6.357 -4.432 1.00 0.00 C ATOM 304 OH TYR A 23 3.016 -7.231 -4.335 1.00 0.00 O ATOM 0 H TYR A 23 -1.808 -5.712 -6.591 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.992 -3.074 -6.045 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.923 -2.572 -4.658 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.979 -3.741 -3.891 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.150 -3.408 -5.870 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.205 -5.927 -3.367 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.078 -5.039 -5.686 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.731 -7.549 -3.191 1.00 0.00 H new ATOM 0 HH TYR A 23 2.755 -7.987 -3.768 1.00 0.00 H new ATOM 314 N GLY A 24 -1.577 -2.178 -7.812 1.00 0.00 N ATOM 315 CA GLY A 24 -0.825 -1.667 -8.945 1.00 0.00 C ATOM 316 C GLY A 24 0.408 -0.889 -8.479 1.00 0.00 C ATOM 317 O GLY A 24 0.327 -0.093 -7.545 1.00 0.00 O ATOM 0 H GLY A 24 -2.374 -1.605 -7.535 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.517 -2.494 -9.585 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.462 -1.019 -9.547 1.00 0.00 H new ATOM 321 N TRP A 25 1.520 -1.147 -9.152 1.00 0.00 N ATOM 322 CA TRP A 25 2.767 -0.480 -8.818 1.00 0.00 C ATOM 323 C TRP A 25 3.521 -0.209 -10.122 1.00 0.00 C ATOM 324 O TRP A 25 3.461 -1.007 -11.056 1.00 0.00 O ATOM 325 CB TRP A 25 3.580 -1.306 -7.819 1.00 0.00 C ATOM 326 CG TRP A 25 4.331 -2.481 -8.447 1.00 0.00 C ATOM 327 CD1 TRP A 25 3.910 -3.745 -8.594 1.00 0.00 C ATOM 328 CD2 TRP A 25 5.659 -2.450 -9.012 1.00 0.00 C ATOM 329 NE1 TRP A 25 4.866 -4.528 -9.209 1.00 0.00 N ATOM 330 CE2 TRP A 25 5.963 -3.715 -9.471 1.00 0.00 C ATOM 331 CE3 TRP A 25 6.572 -1.388 -9.130 1.00 0.00 C ATOM 332 CZ2 TRP A 25 7.182 -4.037 -10.080 1.00 0.00 C ATOM 333 CZ3 TRP A 25 7.786 -1.726 -9.741 1.00 0.00 C ATOM 334 CH2 TRP A 25 8.108 -2.995 -10.209 1.00 0.00 C ATOM 0 H TRP A 25 1.583 -1.808 -9.926 1.00 0.00 H new ATOM 0 HA TRP A 25 2.575 0.471 -8.321 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.298 -0.653 -7.323 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.910 -1.687 -7.048 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.944 -4.105 -8.272 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.783 -5.520 -9.430 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.355 -0.391 -8.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.396 -5.036 -10.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 8.524 -0.946 -9.857 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.068 -3.176 -10.670 1.00 0.00 H new ATOM 345 N ASP A 26 4.214 0.921 -10.143 1.00 0.00 N ATOM 346 CA ASP A 26 4.978 1.307 -11.316 1.00 0.00 C ATOM 347 C ASP A 26 6.382 1.739 -10.886 1.00 0.00 C ATOM 348 O ASP A 26 6.764 1.558 -9.731 1.00 0.00 O ATOM 349 CB ASP A 26 4.322 2.486 -12.038 1.00 0.00 C ATOM 350 CG ASP A 26 2.818 2.340 -12.279 1.00 0.00 C ATOM 351 OD1 ASP A 26 2.282 1.278 -11.896 1.00 0.00 O ATOM 352 OD2 ASP A 26 2.238 3.295 -12.840 1.00 0.00 O ATOM 0 H ASP A 26 4.262 1.581 -9.366 1.00 0.00 H new ATOM 0 HA ASP A 26 5.019 0.450 -11.988 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.495 3.391 -11.456 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.817 2.625 -12.999 1.00 0.00 H new ATOM 357 N GLN A 27 7.111 2.302 -11.838 1.00 0.00 N ATOM 358 CA GLN A 27 8.464 2.761 -11.571 1.00 0.00 C ATOM 359 C GLN A 27 8.913 3.745 -12.653 1.00 0.00 C ATOM 360 O GLN A 27 8.531 3.614 -13.815 1.00 0.00 O ATOM 361 CB GLN A 27 9.433 1.581 -11.468 1.00 0.00 C ATOM 362 CG GLN A 27 9.619 0.904 -12.827 1.00 0.00 C ATOM 363 CD GLN A 27 9.781 -0.610 -12.668 1.00 0.00 C ATOM 364 OE1 GLN A 27 9.842 -1.141 -11.571 1.00 0.00 O ATOM 365 NE2 GLN A 27 9.847 -1.271 -13.820 1.00 0.00 N ATOM 0 H GLN A 27 6.791 2.451 -12.795 1.00 0.00 H new ATOM 0 HA GLN A 27 8.469 3.278 -10.611 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.397 1.929 -11.096 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.055 0.857 -10.746 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.760 1.117 -13.464 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.496 1.317 -13.326 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.789 -0.764 -14.703 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.955 -2.285 -13.821 1.00 0.00 H new ATOM 374 N SER A 28 9.718 4.710 -12.232 1.00 0.00 N ATOM 375 CA SER A 28 10.223 5.716 -13.151 1.00 0.00 C ATOM 376 C SER A 28 11.681 6.042 -12.819 1.00 0.00 C ATOM 377 O SER A 28 12.080 6.007 -11.656 1.00 0.00 O ATOM 378 CB SER A 28 9.371 6.986 -13.100 1.00 0.00 C ATOM 379 OG SER A 28 8.581 7.146 -14.275 1.00 0.00 O ATOM 0 H SER A 28 10.033 4.816 -11.268 1.00 0.00 H new ATOM 0 HA SER A 28 10.168 5.314 -14.163 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.719 6.951 -12.227 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.020 7.853 -12.978 1.00 0.00 H new ATOM 0 HG SER A 28 8.050 7.967 -14.203 1.00 0.00 H new ATOM 385 N ASP A 29 12.437 6.353 -13.863 1.00 0.00 N ATOM 386 CA ASP A 29 13.841 6.685 -13.697 1.00 0.00 C ATOM 387 C ASP A 29 13.964 7.957 -12.855 1.00 0.00 C ATOM 388 O ASP A 29 14.212 9.037 -13.388 1.00 0.00 O ATOM 389 CB ASP A 29 14.509 6.947 -15.048 1.00 0.00 C ATOM 390 CG ASP A 29 14.160 5.940 -16.147 1.00 0.00 C ATOM 391 OD1 ASP A 29 13.702 4.836 -15.781 1.00 0.00 O ATOM 392 OD2 ASP A 29 14.360 6.298 -17.328 1.00 0.00 O ATOM 0 H ASP A 29 12.103 6.382 -14.826 1.00 0.00 H new ATOM 0 HA ASP A 29 14.331 5.842 -13.210 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.229 7.944 -15.388 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.590 6.949 -14.908 1.00 0.00 H new ATOM 397 N LYS A 30 13.786 7.786 -11.553 1.00 0.00 N ATOM 398 CA LYS A 30 13.874 8.906 -10.632 1.00 0.00 C ATOM 399 C LYS A 30 13.379 8.467 -9.253 1.00 0.00 C ATOM 400 O LYS A 30 14.064 8.667 -8.251 1.00 0.00 O ATOM 401 CB LYS A 30 13.133 10.121 -11.194 1.00 0.00 C ATOM 402 CG LYS A 30 14.111 11.125 -11.807 1.00 0.00 C ATOM 403 CD LYS A 30 14.304 12.333 -10.888 1.00 0.00 C ATOM 404 CE LYS A 30 13.598 13.568 -11.451 1.00 0.00 C ATOM 405 NZ LYS A 30 14.347 14.796 -11.106 1.00 0.00 N ATOM 0 H LYS A 30 13.581 6.888 -11.114 1.00 0.00 H new ATOM 0 HA LYS A 30 14.911 9.221 -10.513 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.417 9.797 -11.950 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.562 10.602 -10.400 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.071 10.641 -11.984 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.738 11.457 -12.776 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.913 12.106 -9.896 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.368 12.539 -10.771 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.509 13.481 -12.534 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.585 13.629 -11.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.854 15.624 -11.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.410 14.885 -10.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.305 14.743 -11.508 1.00 0.00 H new ATOM 419 N PHE A 31 12.193 7.877 -9.246 1.00 0.00 N ATOM 420 CA PHE A 31 11.597 7.408 -8.006 1.00 0.00 C ATOM 421 C PHE A 31 10.577 6.299 -8.272 1.00 0.00 C ATOM 422 O PHE A 31 10.170 6.086 -9.413 1.00 0.00 O ATOM 423 CB PHE A 31 10.881 8.603 -7.374 1.00 0.00 C ATOM 424 CG PHE A 31 11.715 9.885 -7.345 1.00 0.00 C ATOM 425 CD1 PHE A 31 12.772 9.989 -6.494 1.00 0.00 C ATOM 426 CD2 PHE A 31 11.401 10.920 -8.169 1.00 0.00 C ATOM 427 CE1 PHE A 31 13.546 11.179 -6.467 1.00 0.00 C ATOM 428 CE2 PHE A 31 12.176 12.110 -8.142 1.00 0.00 C ATOM 429 CZ PHE A 31 13.232 12.214 -7.292 1.00 0.00 C ATOM 0 H PHE A 31 11.628 7.713 -10.079 1.00 0.00 H new ATOM 0 HA PHE A 31 12.369 7.004 -7.352 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.960 8.794 -7.924 1.00 0.00 H new ATOM 0 HB3 PHE A 31 10.596 8.344 -6.354 1.00 0.00 H new ATOM 0 HD1 PHE A 31 13.022 9.167 -5.840 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.562 10.837 -8.844 1.00 0.00 H new ATOM 0 HE1 PHE A 31 14.384 11.262 -5.791 1.00 0.00 H new ATOM 0 HE2 PHE A 31 11.926 12.932 -8.797 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.822 13.119 -7.272 1.00 0.00 H new ATOM 439 N VAL A 32 10.193 5.622 -7.200 1.00 0.00 N ATOM 440 CA VAL A 32 9.229 4.541 -7.304 1.00 0.00 C ATOM 441 C VAL A 32 7.907 4.979 -6.669 1.00 0.00 C ATOM 442 O VAL A 32 7.902 5.696 -5.670 1.00 0.00 O ATOM 443 CB VAL A 32 9.800 3.268 -6.676 1.00 0.00 C ATOM 444 CG1 VAL A 32 8.683 2.290 -6.305 1.00 0.00 C ATOM 445 CG2 VAL A 32 10.820 2.608 -7.605 1.00 0.00 C ATOM 0 H VAL A 32 10.532 5.802 -6.255 1.00 0.00 H new ATOM 0 HA VAL A 32 9.027 4.309 -8.350 1.00 0.00 H new ATOM 0 HB VAL A 32 10.316 3.550 -5.758 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.117 1.394 -5.861 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.010 2.761 -5.589 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.126 2.017 -7.201 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.210 1.706 -7.134 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.338 2.347 -8.547 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.640 3.301 -7.796 1.00 0.00 H new ATOM 455 N LYS A 33 6.818 4.530 -7.276 1.00 0.00 N ATOM 456 CA LYS A 33 5.494 4.867 -6.783 1.00 0.00 C ATOM 457 C LYS A 33 4.550 3.687 -7.023 1.00 0.00 C ATOM 458 O LYS A 33 4.699 2.957 -8.002 1.00 0.00 O ATOM 459 CB LYS A 33 5.009 6.179 -7.403 1.00 0.00 C ATOM 460 CG LYS A 33 3.494 6.329 -7.254 1.00 0.00 C ATOM 461 CD LYS A 33 3.101 7.800 -7.103 1.00 0.00 C ATOM 462 CE LYS A 33 2.726 8.408 -8.456 1.00 0.00 C ATOM 463 NZ LYS A 33 2.633 9.882 -8.353 1.00 0.00 N ATOM 0 H LYS A 33 6.826 3.936 -8.105 1.00 0.00 H new ATOM 0 HA LYS A 33 5.521 5.041 -5.707 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.510 7.019 -6.923 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.279 6.208 -8.459 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.995 5.903 -8.125 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.153 5.767 -6.385 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.260 7.887 -6.415 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.929 8.358 -6.666 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.472 8.136 -9.203 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.773 8.000 -8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.693 10.194 -8.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.778 10.171 -7.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.363 10.319 -8.952 1.00 0.00 H new ATOM 477 N ILE A 34 3.598 3.537 -6.113 1.00 0.00 N ATOM 478 CA ILE A 34 2.629 2.459 -6.214 1.00 0.00 C ATOM 479 C ILE A 34 1.216 3.044 -6.182 1.00 0.00 C ATOM 480 O ILE A 34 0.991 4.102 -5.596 1.00 0.00 O ATOM 481 CB ILE A 34 2.884 1.407 -5.133 1.00 0.00 C ATOM 482 CG1 ILE A 34 4.276 0.790 -5.285 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.783 0.345 -5.130 1.00 0.00 C ATOM 484 CD1 ILE A 34 5.220 1.286 -4.188 1.00 0.00 C ATOM 0 H ILE A 34 3.477 4.144 -5.302 1.00 0.00 H new ATOM 0 HA ILE A 34 2.737 1.938 -7.165 1.00 0.00 H new ATOM 0 HB ILE A 34 2.856 1.902 -4.162 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.202 -0.297 -5.242 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.685 1.043 -6.263 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.989 -0.390 -4.352 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.821 0.819 -4.936 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.754 -0.151 -6.100 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.202 0.832 -4.320 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.311 2.371 -4.249 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.821 1.010 -3.212 1.00 0.00 H new ATOM 496 N TYR A 35 0.300 2.330 -6.819 1.00 0.00 N ATOM 497 CA TYR A 35 -1.085 2.765 -6.871 1.00 0.00 C ATOM 498 C TYR A 35 -2.034 1.621 -6.508 1.00 0.00 C ATOM 499 O TYR A 35 -2.114 0.625 -7.225 1.00 0.00 O ATOM 500 CB TYR A 35 -1.342 3.184 -8.320 1.00 0.00 C ATOM 501 CG TYR A 35 -0.166 3.909 -8.976 1.00 0.00 C ATOM 502 CD1 TYR A 35 1.001 3.224 -9.251 1.00 0.00 C ATOM 503 CD2 TYR A 35 -0.271 5.248 -9.293 1.00 0.00 C ATOM 504 CE1 TYR A 35 2.108 3.907 -9.869 1.00 0.00 C ATOM 505 CE2 TYR A 35 0.836 5.931 -9.910 1.00 0.00 C ATOM 506 CZ TYR A 35 1.971 5.227 -10.168 1.00 0.00 C ATOM 507 OH TYR A 35 3.017 5.872 -10.751 1.00 0.00 O ATOM 0 H TYR A 35 0.490 1.453 -7.304 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.258 3.576 -6.164 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.582 2.297 -8.907 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.218 3.832 -8.350 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.084 2.176 -9.003 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.184 5.784 -9.078 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.026 3.383 -10.090 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.767 6.979 -10.162 1.00 0.00 H new ATOM 0 HH TYR A 35 2.777 6.809 -10.908 1.00 0.00 H new ATOM 517 N ILE A 36 -2.728 1.802 -5.394 1.00 0.00 N ATOM 518 CA ILE A 36 -3.668 0.797 -4.926 1.00 0.00 C ATOM 519 C ILE A 36 -5.091 1.351 -5.023 1.00 0.00 C ATOM 520 O ILE A 36 -5.312 2.543 -4.815 1.00 0.00 O ATOM 521 CB ILE A 36 -3.288 0.319 -3.523 1.00 0.00 C ATOM 522 CG1 ILE A 36 -1.913 -0.352 -3.526 1.00 0.00 C ATOM 523 CG2 ILE A 36 -4.370 -0.594 -2.943 1.00 0.00 C ATOM 524 CD1 ILE A 36 -0.913 0.443 -2.683 1.00 0.00 C ATOM 0 H ILE A 36 -2.658 2.630 -4.802 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.626 -0.088 -5.561 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.219 1.191 -2.872 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.998 -1.366 -3.135 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.547 -0.435 -4.549 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.075 -0.920 -1.945 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.312 -0.049 -2.883 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.495 -1.465 -3.587 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.056 -0.055 -2.702 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.812 1.449 -3.091 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.270 0.503 -1.655 1.00 0.00 H new ATOM 536 N THR A 37 -6.018 0.459 -5.339 1.00 0.00 N ATOM 537 CA THR A 37 -7.414 0.844 -5.466 1.00 0.00 C ATOM 538 C THR A 37 -8.147 0.635 -4.140 1.00 0.00 C ATOM 539 O THR A 37 -8.455 -0.497 -3.768 1.00 0.00 O ATOM 540 CB THR A 37 -8.019 0.052 -6.626 1.00 0.00 C ATOM 541 OG1 THR A 37 -7.490 0.681 -7.790 1.00 0.00 O ATOM 542 CG2 THR A 37 -9.531 0.254 -6.748 1.00 0.00 C ATOM 0 H THR A 37 -5.830 -0.529 -5.511 1.00 0.00 H new ATOM 0 HA THR A 37 -7.513 1.906 -5.692 1.00 0.00 H new ATOM 0 HB THR A 37 -7.804 -1.008 -6.492 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.830 0.228 -8.590 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.910 -0.330 -7.587 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.017 -0.073 -5.829 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.745 1.310 -6.915 1.00 0.00 H new ATOM 550 N LEU A 38 -8.406 1.744 -3.462 1.00 0.00 N ATOM 551 CA LEU A 38 -9.098 1.696 -2.185 1.00 0.00 C ATOM 552 C LEU A 38 -10.140 2.815 -2.132 1.00 0.00 C ATOM 553 O LEU A 38 -9.805 3.967 -1.860 1.00 0.00 O ATOM 554 CB LEU A 38 -8.094 1.735 -1.030 1.00 0.00 C ATOM 555 CG LEU A 38 -8.382 0.793 0.140 1.00 0.00 C ATOM 556 CD1 LEU A 38 -9.887 0.598 0.330 1.00 0.00 C ATOM 557 CD2 LEU A 38 -7.649 -0.539 -0.035 1.00 0.00 C ATOM 0 H LEU A 38 -8.149 2.681 -3.773 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.636 0.754 -2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.106 1.500 -1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.050 2.755 -0.647 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.000 1.254 1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.064 -0.076 1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.356 1.561 0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.316 0.170 -0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.871 -1.190 0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.978 -1.017 -0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.575 -0.360 -0.083 1.00 0.00 H new ATOM 569 N THR A 39 -11.381 2.437 -2.397 1.00 0.00 N ATOM 570 CA THR A 39 -12.474 3.394 -2.383 1.00 0.00 C ATOM 571 C THR A 39 -12.823 3.785 -0.946 1.00 0.00 C ATOM 572 O THR A 39 -13.237 2.941 -0.152 1.00 0.00 O ATOM 573 CB THR A 39 -13.649 2.782 -3.148 1.00 0.00 C ATOM 574 OG1 THR A 39 -13.426 3.173 -4.500 1.00 0.00 O ATOM 575 CG2 THR A 39 -14.986 3.433 -2.788 1.00 0.00 C ATOM 0 H THR A 39 -11.654 1.481 -2.623 1.00 0.00 H new ATOM 0 HA THR A 39 -12.192 4.322 -2.880 1.00 0.00 H new ATOM 0 HB THR A 39 -13.698 1.713 -2.941 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.086 3.850 -4.758 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.786 2.961 -3.359 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.177 3.306 -1.722 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.949 4.496 -3.026 1.00 0.00 H new ATOM 583 N GLY A 40 -12.642 5.065 -0.654 1.00 0.00 N ATOM 584 CA GLY A 40 -12.932 5.578 0.674 1.00 0.00 C ATOM 585 C GLY A 40 -11.658 6.074 1.361 1.00 0.00 C ATOM 586 O GLY A 40 -11.718 6.917 2.255 1.00 0.00 O ATOM 0 H GLY A 40 -12.298 5.762 -1.315 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.652 6.393 0.603 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.394 4.796 1.277 1.00 0.00 H new ATOM 590 N VAL A 41 -10.534 5.531 0.916 1.00 0.00 N ATOM 591 CA VAL A 41 -9.248 5.909 1.476 1.00 0.00 C ATOM 592 C VAL A 41 -9.048 7.417 1.312 1.00 0.00 C ATOM 593 O VAL A 41 -8.242 8.020 2.019 1.00 0.00 O ATOM 594 CB VAL A 41 -8.133 5.084 0.830 1.00 0.00 C ATOM 595 CG1 VAL A 41 -7.864 5.553 -0.602 1.00 0.00 C ATOM 596 CG2 VAL A 41 -6.857 5.131 1.672 1.00 0.00 C ATOM 0 H VAL A 41 -10.488 4.832 0.174 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.218 5.692 2.544 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.466 4.047 0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.067 4.951 -1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.770 5.443 -1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.562 6.600 -0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.081 4.536 1.190 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.519 6.163 1.763 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.060 4.727 2.664 1.00 0.00 H new ATOM 606 N HIS A 42 -9.795 7.982 0.375 1.00 0.00 N ATOM 607 CA HIS A 42 -9.709 9.408 0.109 1.00 0.00 C ATOM 608 C HIS A 42 -10.677 10.160 1.025 1.00 0.00 C ATOM 609 O HIS A 42 -10.618 11.384 1.124 1.00 0.00 O ATOM 610 CB HIS A 42 -9.950 9.699 -1.374 1.00 0.00 C ATOM 611 CG HIS A 42 -11.408 9.767 -1.758 1.00 0.00 C ATOM 612 ND1 HIS A 42 -12.168 8.641 -2.022 1.00 0.00 N ATOM 613 CD2 HIS A 42 -12.239 10.837 -1.919 1.00 0.00 C ATOM 614 CE1 HIS A 42 -13.398 9.027 -2.327 1.00 0.00 C ATOM 615 NE2 HIS A 42 -13.439 10.389 -2.263 1.00 0.00 N ATOM 0 H HIS A 42 -10.462 7.478 -0.209 1.00 0.00 H new ATOM 0 HA HIS A 42 -8.703 9.763 0.331 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -9.473 10.645 -1.630 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -9.464 8.926 -1.969 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -11.966 11.874 -1.788 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -14.223 8.378 -2.581 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -14.258 10.968 -2.449 1.00 0.00 H new ATOM 623 N GLN A 43 -11.544 9.395 1.672 1.00 0.00 N ATOM 624 CA GLN A 43 -12.523 9.973 2.576 1.00 0.00 C ATOM 625 C GLN A 43 -12.047 9.847 4.025 1.00 0.00 C ATOM 626 O GLN A 43 -12.369 10.687 4.864 1.00 0.00 O ATOM 627 CB GLN A 43 -13.894 9.320 2.391 1.00 0.00 C ATOM 628 CG GLN A 43 -14.465 9.628 1.006 1.00 0.00 C ATOM 629 CD GLN A 43 -15.995 9.581 1.020 1.00 0.00 C ATOM 630 OE1 GLN A 43 -16.607 8.623 1.462 1.00 0.00 O ATOM 631 NE2 GLN A 43 -16.574 10.665 0.513 1.00 0.00 N ATOM 0 H GLN A 43 -11.589 8.379 1.588 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.627 11.032 2.338 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.808 8.241 2.521 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.579 9.680 3.159 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -14.131 10.614 0.682 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.082 8.908 0.283 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -16.001 11.431 0.160 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.591 10.730 0.477 1.00 0.00 H new ATOM 640 N VAL A 44 -11.287 8.790 4.274 1.00 0.00 N ATOM 641 CA VAL A 44 -10.763 8.543 5.607 1.00 0.00 C ATOM 642 C VAL A 44 -9.665 9.563 5.916 1.00 0.00 C ATOM 643 O VAL A 44 -9.026 10.088 5.005 1.00 0.00 O ATOM 644 CB VAL A 44 -10.282 7.095 5.720 1.00 0.00 C ATOM 645 CG1 VAL A 44 -11.421 6.115 5.426 1.00 0.00 C ATOM 646 CG2 VAL A 44 -9.088 6.840 4.798 1.00 0.00 C ATOM 0 H VAL A 44 -11.022 8.095 3.576 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.546 8.671 6.355 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.954 6.930 6.746 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.053 5.093 5.513 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -12.229 6.272 6.140 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.793 6.282 4.415 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.766 5.803 4.898 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.378 7.032 3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.268 7.503 5.073 1.00 0.00 H new ATOM 656 N PRO A 45 -9.473 9.818 7.238 1.00 0.00 N ATOM 657 CA PRO A 45 -8.463 10.766 7.678 1.00 0.00 C ATOM 658 C PRO A 45 -7.060 10.168 7.555 1.00 0.00 C ATOM 659 O PRO A 45 -6.910 8.971 7.318 1.00 0.00 O ATOM 660 CB PRO A 45 -8.840 11.105 9.111 1.00 0.00 C ATOM 661 CG PRO A 45 -9.767 9.993 9.572 1.00 0.00 C ATOM 662 CD PRO A 45 -10.210 9.215 8.344 1.00 0.00 C ATOM 0 HA PRO A 45 -8.434 11.666 7.064 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.955 11.163 9.744 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.335 12.074 9.166 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.255 9.336 10.275 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.630 10.407 10.093 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.979 8.154 8.442 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.287 9.294 8.192 1.00 0.00 H new ATOM 670 N THR A 46 -6.068 11.030 7.721 1.00 0.00 N ATOM 671 CA THR A 46 -4.682 10.603 7.632 1.00 0.00 C ATOM 672 C THR A 46 -4.278 9.836 8.892 1.00 0.00 C ATOM 673 O THR A 46 -3.160 9.332 8.985 1.00 0.00 O ATOM 674 CB THR A 46 -3.821 11.840 7.371 1.00 0.00 C ATOM 675 OG1 THR A 46 -2.506 11.319 7.201 1.00 0.00 O ATOM 676 CG2 THR A 46 -3.707 12.744 8.600 1.00 0.00 C ATOM 0 H THR A 46 -6.197 12.023 7.917 1.00 0.00 H new ATOM 0 HA THR A 46 -4.535 9.908 6.806 1.00 0.00 H new ATOM 0 HB THR A 46 -4.243 12.407 6.541 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.445 10.440 7.629 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.086 13.607 8.361 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.700 13.083 8.896 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.254 12.187 9.420 1.00 0.00 H new ATOM 684 N GLU A 47 -5.210 9.772 9.832 1.00 0.00 N ATOM 685 CA GLU A 47 -4.965 9.076 11.083 1.00 0.00 C ATOM 686 C GLU A 47 -5.309 7.592 10.941 1.00 0.00 C ATOM 687 O GLU A 47 -4.763 6.753 11.656 1.00 0.00 O ATOM 688 CB GLU A 47 -5.752 9.714 12.229 1.00 0.00 C ATOM 689 CG GLU A 47 -7.240 9.374 12.128 1.00 0.00 C ATOM 690 CD GLU A 47 -7.966 9.691 13.438 1.00 0.00 C ATOM 691 OE1 GLU A 47 -8.321 10.876 13.618 1.00 0.00 O ATOM 692 OE2 GLU A 47 -8.149 8.741 14.229 1.00 0.00 O ATOM 0 H GLU A 47 -6.136 10.191 9.752 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.905 9.162 11.322 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.359 9.364 13.184 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.620 10.796 12.207 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.691 9.939 11.312 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.360 8.317 11.888 1.00 0.00 H new ATOM 699 N ASN A 48 -6.213 7.313 10.013 1.00 0.00 N ATOM 700 CA ASN A 48 -6.636 5.945 9.768 1.00 0.00 C ATOM 701 C ASN A 48 -5.642 5.270 8.821 1.00 0.00 C ATOM 702 O ASN A 48 -5.584 4.043 8.748 1.00 0.00 O ATOM 703 CB ASN A 48 -8.017 5.905 9.110 1.00 0.00 C ATOM 704 CG ASN A 48 -9.114 6.259 10.116 1.00 0.00 C ATOM 705 OD1 ASN A 48 -8.861 6.539 11.276 1.00 0.00 O ATOM 706 ND2 ASN A 48 -10.343 6.230 9.609 1.00 0.00 N ATOM 0 H ASN A 48 -6.664 8.011 9.422 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.678 5.428 10.727 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.046 6.604 8.274 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.200 4.911 8.701 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.144 6.450 10.201 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.485 5.987 8.628 1.00 0.00 H new ATOM 713 N VAL A 49 -4.885 6.100 8.119 1.00 0.00 N ATOM 714 CA VAL A 49 -3.896 5.599 7.179 1.00 0.00 C ATOM 715 C VAL A 49 -2.496 5.806 7.760 1.00 0.00 C ATOM 716 O VAL A 49 -2.041 6.940 7.903 1.00 0.00 O ATOM 717 CB VAL A 49 -4.083 6.268 5.816 1.00 0.00 C ATOM 718 CG1 VAL A 49 -3.048 5.760 4.810 1.00 0.00 C ATOM 719 CG2 VAL A 49 -5.505 6.059 5.293 1.00 0.00 C ATOM 0 H VAL A 49 -4.936 7.117 8.182 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.027 4.529 7.021 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.928 7.339 5.944 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.203 6.251 3.849 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.046 5.984 5.175 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.157 4.682 4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.611 6.545 4.323 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.701 4.992 5.188 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.218 6.491 5.995 1.00 0.00 H new ATOM 729 N GLN A 50 -1.852 4.693 8.080 1.00 0.00 N ATOM 730 CA GLN A 50 -0.513 4.739 8.642 1.00 0.00 C ATOM 731 C GLN A 50 0.464 3.973 7.749 1.00 0.00 C ATOM 732 O GLN A 50 0.353 2.757 7.600 1.00 0.00 O ATOM 733 CB GLN A 50 -0.498 4.188 10.069 1.00 0.00 C ATOM 734 CG GLN A 50 -0.494 5.323 11.095 1.00 0.00 C ATOM 735 CD GLN A 50 0.023 4.834 12.451 1.00 0.00 C ATOM 736 OE1 GLN A 50 -0.648 4.123 13.180 1.00 0.00 O ATOM 737 NE2 GLN A 50 1.249 5.255 12.746 1.00 0.00 N ATOM 0 H GLN A 50 -2.233 3.754 7.961 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.195 5.781 8.686 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.370 3.553 10.227 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.382 3.561 10.211 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.132 6.140 10.736 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.503 5.720 11.208 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.756 5.849 12.090 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.683 4.984 13.628 1.00 0.00 H new ATOM 746 N VAL A 51 1.401 4.715 7.176 1.00 0.00 N ATOM 747 CA VAL A 51 2.397 4.121 6.301 1.00 0.00 C ATOM 748 C VAL A 51 3.790 4.584 6.733 1.00 0.00 C ATOM 749 O VAL A 51 4.006 5.770 6.977 1.00 0.00 O ATOM 750 CB VAL A 51 2.080 4.458 4.843 1.00 0.00 C ATOM 751 CG1 VAL A 51 1.517 5.875 4.718 1.00 0.00 C ATOM 752 CG2 VAL A 51 3.315 4.279 3.958 1.00 0.00 C ATOM 0 H VAL A 51 1.491 5.723 7.301 1.00 0.00 H new ATOM 0 HA VAL A 51 2.377 3.034 6.381 1.00 0.00 H new ATOM 0 HB VAL A 51 1.316 3.762 4.497 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.300 6.089 3.672 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.600 5.955 5.302 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.249 6.592 5.091 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.062 4.525 2.927 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.110 4.940 4.304 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.654 3.244 4.012 1.00 0.00 H new ATOM 762 N HIS A 52 4.699 3.623 6.814 1.00 0.00 N ATOM 763 CA HIS A 52 6.065 3.917 7.212 1.00 0.00 C ATOM 764 C HIS A 52 7.029 3.458 6.117 1.00 0.00 C ATOM 765 O HIS A 52 6.859 2.381 5.548 1.00 0.00 O ATOM 766 CB HIS A 52 6.379 3.299 8.576 1.00 0.00 C ATOM 767 CG HIS A 52 7.820 3.445 9.000 1.00 0.00 C ATOM 768 ND1 HIS A 52 8.546 2.409 9.562 1.00 0.00 N ATOM 769 CD2 HIS A 52 8.664 4.515 8.936 1.00 0.00 C ATOM 770 CE1 HIS A 52 9.768 2.848 9.823 1.00 0.00 C ATOM 771 NE2 HIS A 52 9.839 4.154 9.434 1.00 0.00 N ATOM 0 H HIS A 52 4.516 2.640 6.611 1.00 0.00 H new ATOM 0 HA HIS A 52 6.189 4.994 7.329 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.741 3.762 9.329 1.00 0.00 H new ATOM 0 HB3 HIS A 52 6.124 2.240 8.551 1.00 0.00 H new ATOM 0 HD2 HIS A 52 8.417 5.491 8.546 1.00 0.00 H new ATOM 0 HE1 HIS A 52 10.568 2.273 10.266 1.00 0.00 H new ATOM 0 HE2 HIS A 52 10.660 4.754 9.513 1.00 0.00 H new ATOM 779 N PHE A 53 8.019 4.298 5.854 1.00 0.00 N ATOM 780 CA PHE A 53 9.010 3.991 4.837 1.00 0.00 C ATOM 781 C PHE A 53 10.351 3.618 5.472 1.00 0.00 C ATOM 782 O PHE A 53 10.694 4.115 6.543 1.00 0.00 O ATOM 783 CB PHE A 53 9.193 5.256 3.995 1.00 0.00 C ATOM 784 CG PHE A 53 7.913 5.738 3.310 1.00 0.00 C ATOM 785 CD1 PHE A 53 7.269 4.929 2.426 1.00 0.00 C ATOM 786 CD2 PHE A 53 7.419 6.975 3.584 1.00 0.00 C ATOM 787 CE1 PHE A 53 6.080 5.377 1.790 1.00 0.00 C ATOM 788 CE2 PHE A 53 6.231 7.423 2.948 1.00 0.00 C ATOM 789 CZ PHE A 53 5.587 6.614 2.065 1.00 0.00 C ATOM 0 H PHE A 53 8.156 5.191 6.328 1.00 0.00 H new ATOM 0 HA PHE A 53 8.676 3.146 4.236 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.573 6.053 4.634 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.951 5.068 3.235 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.661 3.947 2.208 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.931 7.617 4.286 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.568 4.735 1.088 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.839 8.406 3.165 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.683 6.954 1.582 1.00 0.00 H new ATOM 799 N THR A 54 11.072 2.744 4.785 1.00 0.00 N ATOM 800 CA THR A 54 12.367 2.298 5.269 1.00 0.00 C ATOM 801 C THR A 54 13.409 2.371 4.150 1.00 0.00 C ATOM 802 O THR A 54 13.186 3.024 3.132 1.00 0.00 O ATOM 803 CB THR A 54 12.197 0.893 5.849 1.00 0.00 C ATOM 804 OG1 THR A 54 11.647 0.137 4.774 1.00 0.00 O ATOM 805 CG2 THR A 54 11.120 0.835 6.935 1.00 0.00 C ATOM 0 H THR A 54 10.784 2.333 3.897 1.00 0.00 H new ATOM 0 HA THR A 54 12.739 2.949 6.060 1.00 0.00 H new ATOM 0 HB THR A 54 13.147 0.553 6.261 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.787 0.525 4.508 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.039 -0.184 7.313 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.390 1.505 7.751 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.163 1.143 6.515 1.00 0.00 H new ATOM 813 N GLU A 55 14.523 1.692 4.377 1.00 0.00 N ATOM 814 CA GLU A 55 15.599 1.671 3.401 1.00 0.00 C ATOM 815 C GLU A 55 15.272 0.695 2.270 1.00 0.00 C ATOM 816 O GLU A 55 15.574 0.961 1.108 1.00 0.00 O ATOM 817 CB GLU A 55 16.933 1.316 4.063 1.00 0.00 C ATOM 818 CG GLU A 55 17.221 -0.182 3.945 1.00 0.00 C ATOM 819 CD GLU A 55 18.353 -0.597 4.888 1.00 0.00 C ATOM 820 OE1 GLU A 55 18.271 -0.216 6.075 1.00 0.00 O ATOM 821 OE2 GLU A 55 19.273 -1.288 4.400 1.00 0.00 O ATOM 0 H GLU A 55 14.704 1.152 5.223 1.00 0.00 H new ATOM 0 HA GLU A 55 15.696 2.670 2.975 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.738 1.883 3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.910 1.604 5.114 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.320 -0.749 4.180 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.491 -0.425 2.917 1.00 0.00 H new ATOM 828 N ARG A 56 14.657 -0.416 2.650 1.00 0.00 N ATOM 829 CA ARG A 56 14.285 -1.434 1.681 1.00 0.00 C ATOM 830 C ARG A 56 12.954 -2.079 2.074 1.00 0.00 C ATOM 831 O ARG A 56 12.906 -3.266 2.394 1.00 0.00 O ATOM 832 CB ARG A 56 15.360 -2.518 1.581 1.00 0.00 C ATOM 833 CG ARG A 56 16.645 -1.961 0.966 1.00 0.00 C ATOM 834 CD ARG A 56 16.684 -2.211 -0.543 1.00 0.00 C ATOM 835 NE ARG A 56 17.060 -3.617 -0.813 1.00 0.00 N ATOM 836 CZ ARG A 56 18.318 -4.077 -0.787 1.00 0.00 C ATOM 837 NH1 ARG A 56 19.330 -3.245 -0.504 1.00 0.00 N ATOM 838 NH2 ARG A 56 18.565 -5.369 -1.045 1.00 0.00 N ATOM 0 H ARG A 56 14.407 -0.633 3.615 1.00 0.00 H new ATOM 0 HA ARG A 56 14.185 -0.948 0.711 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.571 -2.918 2.573 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.992 -3.346 0.975 1.00 0.00 H new ATOM 0 HG2 ARG A 56 16.712 -0.891 1.163 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.510 -2.427 1.438 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.709 -1.996 -0.981 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.400 -1.537 -1.013 1.00 0.00 H new ATOM 0 HE ARG A 56 16.314 -4.277 -1.033 1.00 0.00 H new ATOM 0 HH11 ARG A 56 19.142 -2.262 -0.308 1.00 0.00 H new ATOM 0 HH12 ARG A 56 20.288 -3.595 -0.484 1.00 0.00 H new ATOM 0 HH21 ARG A 56 17.795 -6.002 -1.261 1.00 0.00 H new ATOM 0 HH22 ARG A 56 19.523 -5.719 -1.025 1.00 0.00 H new ATOM 852 N SER A 57 11.907 -1.269 2.037 1.00 0.00 N ATOM 853 CA SER A 57 10.579 -1.746 2.386 1.00 0.00 C ATOM 854 C SER A 57 9.671 -0.563 2.728 1.00 0.00 C ATOM 855 O SER A 57 10.151 0.543 2.971 1.00 0.00 O ATOM 856 CB SER A 57 10.637 -2.727 3.558 1.00 0.00 C ATOM 857 OG SER A 57 11.547 -2.300 4.568 1.00 0.00 O ATOM 0 H SER A 57 11.951 -0.285 1.771 1.00 0.00 H new ATOM 0 HA SER A 57 10.168 -2.274 1.525 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.642 -2.836 3.989 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.935 -3.710 3.193 1.00 0.00 H new ATOM 0 HG SER A 57 11.404 -1.349 4.756 1.00 0.00 H new ATOM 863 N PHE A 58 8.375 -0.836 2.737 1.00 0.00 N ATOM 864 CA PHE A 58 7.395 0.192 3.046 1.00 0.00 C ATOM 865 C PHE A 58 6.070 -0.430 3.490 1.00 0.00 C ATOM 866 O PHE A 58 5.519 -1.287 2.800 1.00 0.00 O ATOM 867 CB PHE A 58 7.165 0.990 1.761 1.00 0.00 C ATOM 868 CG PHE A 58 5.920 0.567 0.980 1.00 0.00 C ATOM 869 CD1 PHE A 58 4.684 0.749 1.519 1.00 0.00 C ATOM 870 CD2 PHE A 58 6.048 0.008 -0.254 1.00 0.00 C ATOM 871 CE1 PHE A 58 3.528 0.356 0.793 1.00 0.00 C ATOM 872 CE2 PHE A 58 4.892 -0.385 -0.979 1.00 0.00 C ATOM 873 CZ PHE A 58 3.657 -0.203 -0.440 1.00 0.00 C ATOM 0 H PHE A 58 7.980 -1.755 2.535 1.00 0.00 H new ATOM 0 HA PHE A 58 7.759 0.822 3.857 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.082 2.047 2.012 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.038 0.883 1.118 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.582 1.192 2.499 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.029 -0.137 -0.682 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.547 0.501 1.220 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.994 -0.828 -1.958 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.778 -0.503 -0.991 1.00 0.00 H new ATOM 883 N ASP A 59 5.595 0.026 4.640 1.00 0.00 N ATOM 884 CA ASP A 59 4.344 -0.475 5.184 1.00 0.00 C ATOM 885 C ASP A 59 3.257 0.588 5.014 1.00 0.00 C ATOM 886 O ASP A 59 3.525 1.782 5.142 1.00 0.00 O ATOM 887 CB ASP A 59 4.477 -0.780 6.678 1.00 0.00 C ATOM 888 CG ASP A 59 5.135 0.324 7.508 1.00 0.00 C ATOM 889 OD1 ASP A 59 6.381 0.402 7.461 1.00 0.00 O ATOM 890 OD2 ASP A 59 4.376 1.065 8.170 1.00 0.00 O ATOM 0 H ASP A 59 6.054 0.737 5.210 1.00 0.00 H new ATOM 0 HA ASP A 59 4.086 -1.390 4.650 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.484 -0.975 7.083 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.056 -1.696 6.796 1.00 0.00 H new ATOM 895 N LEU A 60 2.053 0.116 4.727 1.00 0.00 N ATOM 896 CA LEU A 60 0.924 1.011 4.538 1.00 0.00 C ATOM 897 C LEU A 60 -0.323 0.395 5.175 1.00 0.00 C ATOM 898 O LEU A 60 -0.781 -0.666 4.752 1.00 0.00 O ATOM 899 CB LEU A 60 0.753 1.352 3.056 1.00 0.00 C ATOM 900 CG LEU A 60 -0.242 2.469 2.735 1.00 0.00 C ATOM 901 CD1 LEU A 60 -1.038 2.148 1.468 1.00 0.00 C ATOM 902 CD2 LEU A 60 -1.155 2.750 3.930 1.00 0.00 C ATOM 0 H LEU A 60 1.835 -0.875 4.621 1.00 0.00 H new ATOM 0 HA LEU A 60 1.103 1.961 5.042 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.726 1.633 2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.439 0.450 2.530 1.00 0.00 H new ATOM 0 HG LEU A 60 0.321 3.381 2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.738 2.958 1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.354 2.038 0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.590 1.219 1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.853 3.548 3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.712 1.848 4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.552 3.055 4.785 1.00 0.00 H new ATOM 914 N LEU A 61 -0.837 1.085 6.182 1.00 0.00 N ATOM 915 CA LEU A 61 -2.022 0.618 6.881 1.00 0.00 C ATOM 916 C LEU A 61 -3.210 1.512 6.517 1.00 0.00 C ATOM 917 O LEU A 61 -3.033 2.690 6.210 1.00 0.00 O ATOM 918 CB LEU A 61 -1.757 0.532 8.386 1.00 0.00 C ATOM 919 CG LEU A 61 -2.987 0.331 9.273 1.00 0.00 C ATOM 920 CD1 LEU A 61 -3.876 1.576 9.267 1.00 0.00 C ATOM 921 CD2 LEU A 61 -3.758 -0.926 8.865 1.00 0.00 C ATOM 0 H LEU A 61 -0.455 1.964 6.531 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.275 -0.394 6.566 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.065 -0.291 8.567 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.253 1.447 8.699 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.648 0.182 10.298 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.743 1.407 9.905 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.310 2.429 9.642 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.209 1.781 8.249 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.627 -1.045 9.511 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.086 -0.832 7.830 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.111 -1.798 8.963 1.00 0.00 H new ATOM 933 N VAL A 62 -4.393 0.917 6.562 1.00 0.00 N ATOM 934 CA VAL A 62 -5.609 1.644 6.240 1.00 0.00 C ATOM 935 C VAL A 62 -6.759 1.110 7.096 1.00 0.00 C ATOM 936 O VAL A 62 -7.245 0.004 6.868 1.00 0.00 O ATOM 937 CB VAL A 62 -5.889 1.556 4.739 1.00 0.00 C ATOM 938 CG1 VAL A 62 -7.242 2.184 4.396 1.00 0.00 C ATOM 939 CG2 VAL A 62 -4.763 2.204 3.931 1.00 0.00 C ATOM 0 H VAL A 62 -4.535 -0.060 6.817 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.495 2.703 6.474 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.931 0.501 4.468 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.417 2.108 3.323 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.033 1.658 4.930 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.241 3.234 4.690 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.988 2.127 2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.674 3.254 4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.824 1.693 4.141 1.00 0.00 H new ATOM 949 N LYS A 63 -7.161 1.922 8.063 1.00 0.00 N ATOM 950 CA LYS A 63 -8.245 1.545 8.954 1.00 0.00 C ATOM 951 C LYS A 63 -9.507 2.322 8.572 1.00 0.00 C ATOM 952 O LYS A 63 -9.431 3.328 7.869 1.00 0.00 O ATOM 953 CB LYS A 63 -7.827 1.729 10.414 1.00 0.00 C ATOM 954 CG LYS A 63 -7.610 0.377 11.097 1.00 0.00 C ATOM 955 CD LYS A 63 -6.294 0.363 11.878 1.00 0.00 C ATOM 956 CE LYS A 63 -5.630 -1.014 11.807 1.00 0.00 C ATOM 957 NZ LYS A 63 -5.949 -1.806 13.016 1.00 0.00 N ATOM 0 H LYS A 63 -6.755 2.839 8.249 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.477 0.486 8.845 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.910 2.316 10.462 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.594 2.291 10.947 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.440 0.169 11.772 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.602 -0.415 10.349 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.619 1.118 11.474 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.482 0.627 12.919 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.971 -1.544 10.918 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.550 -0.899 11.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.491 -2.737 12.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.602 -1.307 13.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.979 -1.931 13.087 1.00 0.00 H new ATOM 971 N ASN A 64 -10.637 1.825 9.054 1.00 0.00 N ATOM 972 CA ASN A 64 -11.913 2.460 8.772 1.00 0.00 C ATOM 973 C ASN A 64 -11.943 2.909 7.310 1.00 0.00 C ATOM 974 O ASN A 64 -11.515 4.017 6.988 1.00 0.00 O ATOM 975 CB ASN A 64 -12.119 3.696 9.650 1.00 0.00 C ATOM 976 CG ASN A 64 -13.573 3.802 10.115 1.00 0.00 C ATOM 977 OD1 ASN A 64 -14.509 3.550 9.374 1.00 0.00 O ATOM 978 ND2 ASN A 64 -13.710 4.189 11.380 1.00 0.00 N ATOM 0 H ASN A 64 -10.695 0.990 9.638 1.00 0.00 H new ATOM 0 HA ASN A 64 -12.702 1.736 8.977 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.459 3.645 10.516 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.845 4.592 9.093 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.641 4.291 11.784 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.884 4.384 11.946 1.00 0.00 H new ATOM 985 N LEU A 65 -12.451 2.026 6.463 1.00 0.00 N ATOM 986 CA LEU A 65 -12.542 2.318 5.042 1.00 0.00 C ATOM 987 C LEU A 65 -13.970 2.053 4.562 1.00 0.00 C ATOM 988 O LEU A 65 -14.932 2.493 5.189 1.00 0.00 O ATOM 989 CB LEU A 65 -11.478 1.539 4.266 1.00 0.00 C ATOM 990 CG LEU A 65 -11.145 2.067 2.869 1.00 0.00 C ATOM 991 CD1 LEU A 65 -11.891 3.373 2.585 1.00 0.00 C ATOM 992 CD2 LEU A 65 -9.634 2.219 2.685 1.00 0.00 C ATOM 0 H LEU A 65 -12.804 1.108 6.733 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.333 3.371 4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.562 1.528 4.856 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.810 0.505 4.172 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.486 1.335 2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.637 3.727 1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.965 3.199 2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.603 4.124 3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.425 2.596 1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.246 2.920 3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.152 1.250 2.816 1.00 0.00 H new ATOM 1004 N ASN A 66 -14.063 1.334 3.453 1.00 0.00 N ATOM 1005 CA ASN A 66 -15.358 1.005 2.881 1.00 0.00 C ATOM 1006 C ASN A 66 -16.050 -0.036 3.763 1.00 0.00 C ATOM 1007 O ASN A 66 -16.176 -1.197 3.377 1.00 0.00 O ATOM 1008 CB ASN A 66 -15.206 0.411 1.479 1.00 0.00 C ATOM 1009 CG ASN A 66 -16.366 0.834 0.576 1.00 0.00 C ATOM 1010 OD1 ASN A 66 -16.238 2.057 0.068 1.00 0.00 O flip ATOM 1011 ND2 ASN A 66 -17.314 0.099 0.354 1.00 0.00 N flip ATOM 0 H ASN A 66 -13.263 0.970 2.935 1.00 0.00 H new ATOM 0 HA ASN A 66 -15.944 1.922 2.822 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -14.262 0.738 1.042 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.168 -0.676 1.543 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -17.350 -0.829 0.776 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -18.071 0.412 -0.254 1.00 0.00 H new ATOM 1018 N GLY A 67 -16.481 0.417 4.931 1.00 0.00 N ATOM 1019 CA GLY A 67 -17.158 -0.461 5.871 1.00 0.00 C ATOM 1020 C GLY A 67 -16.231 -1.586 6.335 1.00 0.00 C ATOM 1021 O GLY A 67 -16.695 -2.621 6.810 1.00 0.00 O ATOM 0 H GLY A 67 -16.375 1.381 5.248 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -17.497 0.115 6.732 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -18.046 -0.886 5.403 1.00 0.00 H new ATOM 1025 N LYS A 68 -14.937 -1.346 6.180 1.00 0.00 N ATOM 1026 CA LYS A 68 -13.941 -2.327 6.577 1.00 0.00 C ATOM 1027 C LYS A 68 -12.568 -1.655 6.641 1.00 0.00 C ATOM 1028 O LYS A 68 -12.455 -0.445 6.450 1.00 0.00 O ATOM 1029 CB LYS A 68 -13.988 -3.543 5.650 1.00 0.00 C ATOM 1030 CG LYS A 68 -14.474 -3.150 4.253 1.00 0.00 C ATOM 1031 CD LYS A 68 -13.728 -3.936 3.172 1.00 0.00 C ATOM 1032 CE LYS A 68 -13.865 -5.443 3.398 1.00 0.00 C ATOM 1033 NZ LYS A 68 -13.496 -6.186 2.172 1.00 0.00 N ATOM 0 H LYS A 68 -14.555 -0.487 5.785 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.157 -2.708 7.575 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.997 -3.991 5.581 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.651 -4.299 6.070 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.545 -3.337 4.170 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.325 -2.081 4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.122 -3.675 2.190 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.674 -3.658 3.177 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.225 -5.753 4.224 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.890 -5.683 3.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.513 -7.207 2.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.175 -5.967 1.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.541 -5.906 1.871 1.00 0.00 H new ATOM 1047 N SER A 69 -11.558 -2.470 6.909 1.00 0.00 N ATOM 1048 CA SER A 69 -10.197 -1.969 7.001 1.00 0.00 C ATOM 1049 C SER A 69 -9.292 -2.733 6.031 1.00 0.00 C ATOM 1050 O SER A 69 -9.554 -3.893 5.715 1.00 0.00 O ATOM 1051 CB SER A 69 -9.662 -2.086 8.429 1.00 0.00 C ATOM 1052 OG SER A 69 -10.640 -1.716 9.398 1.00 0.00 O ATOM 0 H SER A 69 -11.655 -3.473 7.065 1.00 0.00 H new ATOM 0 HA SER A 69 -10.202 -0.913 6.729 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.340 -3.111 8.612 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.783 -1.451 8.540 1.00 0.00 H new ATOM 0 HG SER A 69 -10.260 -1.806 10.297 1.00 0.00 H new ATOM 1058 N TYR A 70 -8.247 -2.052 5.586 1.00 0.00 N ATOM 1059 CA TYR A 70 -7.302 -2.651 4.659 1.00 0.00 C ATOM 1060 C TYR A 70 -5.862 -2.440 5.131 1.00 0.00 C ATOM 1061 O TYR A 70 -5.554 -1.431 5.763 1.00 0.00 O ATOM 1062 CB TYR A 70 -7.502 -1.927 3.327 1.00 0.00 C ATOM 1063 CG TYR A 70 -8.858 -2.193 2.670 1.00 0.00 C ATOM 1064 CD1 TYR A 70 -9.993 -1.576 3.156 1.00 0.00 C ATOM 1065 CD2 TYR A 70 -8.946 -3.051 1.592 1.00 0.00 C ATOM 1066 CE1 TYR A 70 -11.269 -1.827 2.538 1.00 0.00 C ATOM 1067 CE2 TYR A 70 -10.222 -3.302 0.974 1.00 0.00 C ATOM 1068 CZ TYR A 70 -11.321 -2.678 1.478 1.00 0.00 C ATOM 1069 OH TYR A 70 -12.526 -2.915 0.894 1.00 0.00 O ATOM 0 H TYR A 70 -8.033 -1.090 5.850 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.470 -3.725 4.580 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.392 -0.855 3.488 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.712 -2.228 2.639 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.924 -0.905 4.000 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -8.058 -3.534 1.212 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.165 -1.350 2.908 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.305 -3.970 0.130 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.411 -3.541 0.149 1.00 0.00 H new ATOM 1079 N SER A 71 -5.019 -3.408 4.805 1.00 0.00 N ATOM 1080 CA SER A 71 -3.618 -3.341 5.187 1.00 0.00 C ATOM 1081 C SER A 71 -2.733 -3.730 4.001 1.00 0.00 C ATOM 1082 O SER A 71 -3.078 -4.626 3.232 1.00 0.00 O ATOM 1083 CB SER A 71 -3.330 -4.248 6.385 1.00 0.00 C ATOM 1084 OG SER A 71 -3.726 -5.595 6.142 1.00 0.00 O ATOM 0 H SER A 71 -5.279 -4.243 4.281 1.00 0.00 H new ATOM 0 HA SER A 71 -3.392 -2.316 5.480 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.265 -4.219 6.614 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.855 -3.868 7.262 1.00 0.00 H new ATOM 0 HG SER A 71 -4.260 -5.636 5.322 1.00 0.00 H new ATOM 1090 N MET A 72 -1.609 -3.038 3.891 1.00 0.00 N ATOM 1091 CA MET A 72 -0.672 -3.300 2.812 1.00 0.00 C ATOM 1092 C MET A 72 0.761 -2.973 3.238 1.00 0.00 C ATOM 1093 O MET A 72 1.058 -1.838 3.609 1.00 0.00 O ATOM 1094 CB MET A 72 -1.047 -2.456 1.592 1.00 0.00 C ATOM 1095 CG MET A 72 0.087 -2.442 0.565 1.00 0.00 C ATOM 1096 SD MET A 72 -0.553 -2.006 -1.044 1.00 0.00 S ATOM 1097 CE MET A 72 0.065 -3.378 -2.005 1.00 0.00 C ATOM 0 H MET A 72 -1.326 -2.296 4.531 1.00 0.00 H new ATOM 0 HA MET A 72 -0.724 -4.360 2.561 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.952 -2.855 1.134 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.271 -1.436 1.906 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.853 -1.728 0.867 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.563 -3.422 0.523 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.393 -3.020 -2.981 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.906 -3.836 -1.485 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.726 -4.116 -2.136 1.00 0.00 H new ATOM 1107 N ILE A 73 1.610 -3.988 3.172 1.00 0.00 N ATOM 1108 CA ILE A 73 3.005 -3.822 3.547 1.00 0.00 C ATOM 1109 C ILE A 73 3.890 -4.555 2.536 1.00 0.00 C ATOM 1110 O ILE A 73 3.516 -5.611 2.029 1.00 0.00 O ATOM 1111 CB ILE A 73 3.227 -4.266 4.994 1.00 0.00 C ATOM 1112 CG1 ILE A 73 2.485 -3.348 5.968 1.00 0.00 C ATOM 1113 CG2 ILE A 73 4.719 -4.358 5.316 1.00 0.00 C ATOM 1114 CD1 ILE A 73 3.009 -3.525 7.395 1.00 0.00 C ATOM 0 H ILE A 73 1.360 -4.928 2.865 1.00 0.00 H new ATOM 0 HA ILE A 73 3.286 -2.769 3.514 1.00 0.00 H new ATOM 0 HB ILE A 73 2.810 -5.266 5.113 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.606 -2.310 5.659 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.418 -3.567 5.939 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.849 -4.676 6.351 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.191 -5.083 4.652 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.182 -3.382 5.175 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.465 -2.861 8.067 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.865 -4.558 7.710 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.071 -3.281 7.425 1.00 0.00 H new ATOM 1126 N VAL A 74 5.047 -3.964 2.275 1.00 0.00 N ATOM 1127 CA VAL A 74 5.989 -4.548 1.334 1.00 0.00 C ATOM 1128 C VAL A 74 7.367 -4.641 1.991 1.00 0.00 C ATOM 1129 O VAL A 74 7.927 -3.631 2.414 1.00 0.00 O ATOM 1130 CB VAL A 74 6.000 -3.739 0.035 1.00 0.00 C ATOM 1131 CG1 VAL A 74 4.659 -3.036 -0.184 1.00 0.00 C ATOM 1132 CG2 VAL A 74 7.154 -2.735 0.024 1.00 0.00 C ATOM 0 H VAL A 74 5.354 -3.088 2.698 1.00 0.00 H new ATOM 0 HA VAL A 74 5.686 -5.561 1.068 1.00 0.00 H new ATOM 0 HB VAL A 74 6.153 -4.434 -0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.693 -2.468 -1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.864 -3.779 -0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.463 -2.359 0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.139 -2.173 -0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.046 -2.047 0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.101 -3.268 0.111 1.00 0.00 H new ATOM 1142 N ASN A 75 7.874 -5.864 2.057 1.00 0.00 N ATOM 1143 CA ASN A 75 9.177 -6.103 2.655 1.00 0.00 C ATOM 1144 C ASN A 75 10.097 -6.753 1.621 1.00 0.00 C ATOM 1145 O ASN A 75 9.707 -7.708 0.950 1.00 0.00 O ATOM 1146 CB ASN A 75 9.067 -7.050 3.852 1.00 0.00 C ATOM 1147 CG ASN A 75 8.858 -6.269 5.151 1.00 0.00 C ATOM 1148 OD1 ASN A 75 9.793 -5.904 5.844 1.00 0.00 O ATOM 1149 ND2 ASN A 75 7.581 -6.035 5.442 1.00 0.00 N ATOM 0 H ASN A 75 7.406 -6.700 1.706 1.00 0.00 H new ATOM 0 HA ASN A 75 9.576 -5.145 2.988 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.236 -7.739 3.700 1.00 0.00 H new ATOM 0 HB3 ASN A 75 9.972 -7.653 3.928 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.337 -5.522 6.289 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.846 -6.369 4.818 1.00 0.00 H new ATOM 1156 N ASN A 76 11.301 -6.210 1.523 1.00 0.00 N ATOM 1157 CA ASN A 76 12.281 -6.725 0.581 1.00 0.00 C ATOM 1158 C ASN A 76 12.062 -6.071 -0.785 1.00 0.00 C ATOM 1159 O ASN A 76 11.439 -6.661 -1.667 1.00 0.00 O ATOM 1160 CB ASN A 76 12.136 -8.239 0.409 1.00 0.00 C ATOM 1161 CG ASN A 76 11.845 -8.917 1.749 1.00 0.00 C ATOM 1162 OD1 ASN A 76 12.253 -8.464 2.805 1.00 0.00 O ATOM 1163 ND2 ASN A 76 11.118 -10.026 1.647 1.00 0.00 N ATOM 0 H ASN A 76 11.621 -5.418 2.081 1.00 0.00 H new ATOM 0 HA ASN A 76 13.274 -6.499 0.970 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.331 -8.453 -0.294 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.050 -8.649 -0.019 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.870 -10.552 2.485 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.808 -10.350 0.731 1.00 0.00 H new ATOM 1170 N LEU A 77 12.586 -4.861 -0.916 1.00 0.00 N ATOM 1171 CA LEU A 77 12.456 -4.121 -2.160 1.00 0.00 C ATOM 1172 C LEU A 77 13.708 -4.338 -3.011 1.00 0.00 C ATOM 1173 O LEU A 77 14.828 -4.217 -2.517 1.00 0.00 O ATOM 1174 CB LEU A 77 12.152 -2.648 -1.877 1.00 0.00 C ATOM 1175 CG LEU A 77 10.808 -2.357 -1.206 1.00 0.00 C ATOM 1176 CD1 LEU A 77 10.691 -0.878 -0.831 1.00 0.00 C ATOM 1177 CD2 LEU A 77 9.645 -2.819 -2.086 1.00 0.00 C ATOM 0 H LEU A 77 13.101 -4.375 -0.182 1.00 0.00 H new ATOM 0 HA LEU A 77 11.610 -4.492 -2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 77 12.945 -2.249 -1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 77 12.191 -2.102 -2.820 1.00 0.00 H new ATOM 0 HG LEU A 77 10.758 -2.929 -0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.727 -0.698 -0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.491 -0.614 -0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.772 -0.267 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.701 -2.601 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.680 -2.294 -3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.724 -3.892 -2.259 1.00 0.00 H new ATOM 1189 N LEU A 78 13.477 -4.654 -4.277 1.00 0.00 N ATOM 1190 CA LEU A 78 14.572 -4.889 -5.202 1.00 0.00 C ATOM 1191 C LEU A 78 15.708 -3.910 -4.900 1.00 0.00 C ATOM 1192 O LEU A 78 16.857 -4.317 -4.738 1.00 0.00 O ATOM 1193 CB LEU A 78 14.075 -4.829 -6.648 1.00 0.00 C ATOM 1194 CG LEU A 78 14.839 -5.689 -7.656 1.00 0.00 C ATOM 1195 CD1 LEU A 78 14.711 -7.175 -7.317 1.00 0.00 C ATOM 1196 CD2 LEU A 78 14.389 -5.387 -9.087 1.00 0.00 C ATOM 0 H LEU A 78 12.547 -4.753 -4.684 1.00 0.00 H new ATOM 0 HA LEU A 78 14.973 -5.894 -5.070 1.00 0.00 H new ATOM 0 HB2 LEU A 78 13.027 -5.130 -6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 78 14.114 -3.792 -6.982 1.00 0.00 H new ATOM 0 HG LEU A 78 15.897 -5.434 -7.590 1.00 0.00 H new ATOM 0 HD11 LEU A 78 15.263 -7.764 -8.049 1.00 0.00 H new ATOM 0 HD12 LEU A 78 15.118 -7.358 -6.323 1.00 0.00 H new ATOM 0 HD13 LEU A 78 13.660 -7.464 -7.337 1.00 0.00 H new ATOM 0 HD21 LEU A 78 14.948 -6.012 -9.784 1.00 0.00 H new ATOM 0 HD22 LEU A 78 13.324 -5.597 -9.185 1.00 0.00 H new ATOM 0 HD23 LEU A 78 14.574 -4.337 -9.313 1.00 0.00 H new ATOM 1208 N LYS A 79 15.346 -2.637 -4.834 1.00 0.00 N ATOM 1209 CA LYS A 79 16.320 -1.595 -4.554 1.00 0.00 C ATOM 1210 C LYS A 79 15.890 -0.822 -3.307 1.00 0.00 C ATOM 1211 O LYS A 79 14.729 -0.879 -2.906 1.00 0.00 O ATOM 1212 CB LYS A 79 16.527 -0.711 -5.786 1.00 0.00 C ATOM 1213 CG LYS A 79 16.721 -1.559 -7.044 1.00 0.00 C ATOM 1214 CD LYS A 79 18.182 -1.542 -7.498 1.00 0.00 C ATOM 1215 CE LYS A 79 18.451 -2.646 -8.522 1.00 0.00 C ATOM 1216 NZ LYS A 79 19.868 -3.069 -8.467 1.00 0.00 N ATOM 0 H LYS A 79 14.392 -2.303 -4.970 1.00 0.00 H new ATOM 0 HA LYS A 79 17.294 -2.032 -4.337 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.667 -0.054 -5.915 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.397 -0.071 -5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.410 -2.585 -6.847 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.084 -1.181 -7.843 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.420 -0.571 -7.933 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.836 -1.674 -6.636 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.803 -3.500 -8.324 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.211 -2.288 -9.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 20.034 -3.819 -9.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 20.481 -2.256 -8.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 20.086 -3.430 -7.516 1.00 0.00 H new ATOM 1230 N PRO A 80 16.875 -0.097 -2.712 1.00 0.00 N ATOM 1231 CA PRO A 80 16.610 0.687 -1.517 1.00 0.00 C ATOM 1232 C PRO A 80 15.832 1.960 -1.859 1.00 0.00 C ATOM 1233 O PRO A 80 15.698 2.314 -3.029 1.00 0.00 O ATOM 1234 CB PRO A 80 17.979 0.970 -0.920 1.00 0.00 C ATOM 1235 CG PRO A 80 18.979 0.736 -2.041 1.00 0.00 C ATOM 1236 CD PRO A 80 18.262 -0.005 -3.158 1.00 0.00 C ATOM 0 HA PRO A 80 15.979 0.162 -0.800 1.00 0.00 H new ATOM 0 HB2 PRO A 80 18.040 1.993 -0.550 1.00 0.00 H new ATOM 0 HB3 PRO A 80 18.180 0.313 -0.074 1.00 0.00 H new ATOM 0 HG2 PRO A 80 19.374 1.685 -2.404 1.00 0.00 H new ATOM 0 HG3 PRO A 80 19.828 0.155 -1.680 1.00 0.00 H new ATOM 0 HD2 PRO A 80 18.339 0.533 -4.103 1.00 0.00 H new ATOM 0 HD3 PRO A 80 18.693 -0.993 -3.318 1.00 0.00 H new ATOM 1244 N ILE A 81 15.340 2.612 -0.816 1.00 0.00 N ATOM 1245 CA ILE A 81 14.579 3.837 -0.990 1.00 0.00 C ATOM 1246 C ILE A 81 14.833 4.764 0.201 1.00 0.00 C ATOM 1247 O ILE A 81 14.925 4.307 1.339 1.00 0.00 O ATOM 1248 CB ILE A 81 13.100 3.522 -1.219 1.00 0.00 C ATOM 1249 CG1 ILE A 81 12.555 2.614 -0.115 1.00 0.00 C ATOM 1250 CG2 ILE A 81 12.876 2.928 -2.612 1.00 0.00 C ATOM 1251 CD1 ILE A 81 11.525 3.352 0.743 1.00 0.00 C ATOM 0 H ILE A 81 15.454 2.315 0.153 1.00 0.00 H new ATOM 0 HA ILE A 81 14.910 4.367 -1.883 1.00 0.00 H new ATOM 0 HB ILE A 81 12.541 4.456 -1.173 1.00 0.00 H new ATOM 0 HG12 ILE A 81 12.097 1.730 -0.559 1.00 0.00 H new ATOM 0 HG13 ILE A 81 13.375 2.267 0.513 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.816 2.713 -2.750 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.203 3.641 -3.369 1.00 0.00 H new ATOM 0 HG23 ILE A 81 13.449 2.006 -2.711 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.153 2.684 1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.992 4.222 1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.695 3.677 0.116 1.00 0.00 H new ATOM 1263 N SER A 82 14.938 6.049 -0.102 1.00 0.00 N ATOM 1264 CA SER A 82 15.178 7.044 0.929 1.00 0.00 C ATOM 1265 C SER A 82 13.928 7.215 1.793 1.00 0.00 C ATOM 1266 O SER A 82 12.835 7.439 1.274 1.00 0.00 O ATOM 1267 CB SER A 82 15.588 8.385 0.316 1.00 0.00 C ATOM 1268 OG SER A 82 16.776 8.902 0.908 1.00 0.00 O ATOM 0 H SER A 82 14.861 6.424 -1.047 1.00 0.00 H new ATOM 0 HA SER A 82 15.999 6.696 1.555 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.741 8.262 -0.756 1.00 0.00 H new ATOM 0 HB3 SER A 82 14.778 9.104 0.442 1.00 0.00 H new ATOM 0 HG SER A 82 17.005 9.757 0.488 1.00 0.00 H new ATOM 1274 N VAL A 83 14.129 7.104 3.098 1.00 0.00 N ATOM 1275 CA VAL A 83 13.031 7.243 4.039 1.00 0.00 C ATOM 1276 C VAL A 83 12.651 8.721 4.158 1.00 0.00 C ATOM 1277 O VAL A 83 11.573 9.125 3.725 1.00 0.00 O ATOM 1278 CB VAL A 83 13.409 6.613 5.382 1.00 0.00 C ATOM 1279 CG1 VAL A 83 12.434 7.040 6.481 1.00 0.00 C ATOM 1280 CG2 VAL A 83 13.479 5.089 5.272 1.00 0.00 C ATOM 0 H VAL A 83 15.036 6.919 3.526 1.00 0.00 H new ATOM 0 HA VAL A 83 12.151 6.709 3.681 1.00 0.00 H new ATOM 0 HB VAL A 83 14.400 6.975 5.655 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.725 6.579 7.425 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.456 8.125 6.585 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.426 6.721 6.217 1.00 0.00 H new ATOM 0 HG21 VAL A 83 13.749 4.666 6.240 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.508 4.701 4.965 1.00 0.00 H new ATOM 0 HG23 VAL A 83 14.230 4.812 4.532 1.00 0.00 H new ATOM 1290 N GLU A 84 13.558 9.486 4.748 1.00 0.00 N ATOM 1291 CA GLU A 84 13.332 10.910 4.929 1.00 0.00 C ATOM 1292 C GLU A 84 12.857 11.543 3.619 1.00 0.00 C ATOM 1293 O GLU A 84 12.220 12.595 3.629 1.00 0.00 O ATOM 1294 CB GLU A 84 14.593 11.604 5.448 1.00 0.00 C ATOM 1295 CG GLU A 84 14.976 11.080 6.833 1.00 0.00 C ATOM 1296 CD GLU A 84 16.141 11.880 7.419 1.00 0.00 C ATOM 1297 OE1 GLU A 84 16.004 13.122 7.477 1.00 0.00 O ATOM 1298 OE2 GLU A 84 17.141 11.233 7.796 1.00 0.00 O ATOM 0 H GLU A 84 14.451 9.147 5.107 1.00 0.00 H new ATOM 0 HA GLU A 84 12.551 11.042 5.678 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.416 11.439 4.752 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.427 12.680 5.495 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.116 11.142 7.500 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.251 10.028 6.764 1.00 0.00 H new ATOM 1305 N GLY A 85 13.187 10.875 2.523 1.00 0.00 N ATOM 1306 CA GLY A 85 12.802 11.359 1.208 1.00 0.00 C ATOM 1307 C GLY A 85 11.469 10.751 0.768 1.00 0.00 C ATOM 1308 O GLY A 85 10.709 11.378 0.031 1.00 0.00 O ATOM 0 H GLY A 85 13.716 10.003 2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 85 12.722 12.446 1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.577 11.109 0.483 1.00 0.00 H new ATOM 1312 N SER A 86 11.226 9.536 1.238 1.00 0.00 N ATOM 1313 CA SER A 86 9.998 8.836 0.902 1.00 0.00 C ATOM 1314 C SER A 86 8.788 9.653 1.360 1.00 0.00 C ATOM 1315 O SER A 86 8.915 10.537 2.204 1.00 0.00 O ATOM 1316 CB SER A 86 9.968 7.443 1.534 1.00 0.00 C ATOM 1317 OG SER A 86 10.704 6.493 0.768 1.00 0.00 O ATOM 0 H SER A 86 11.859 9.019 1.849 1.00 0.00 H new ATOM 0 HA SER A 86 9.958 8.715 -0.181 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.380 7.493 2.542 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.934 7.110 1.628 1.00 0.00 H new ATOM 0 HG SER A 86 11.661 6.695 0.829 1.00 0.00 H new ATOM 1323 N SER A 87 7.641 9.326 0.782 1.00 0.00 N ATOM 1324 CA SER A 87 6.409 10.019 1.120 1.00 0.00 C ATOM 1325 C SER A 87 5.203 9.173 0.707 1.00 0.00 C ATOM 1326 O SER A 87 5.313 8.313 -0.166 1.00 0.00 O ATOM 1327 CB SER A 87 6.348 11.393 0.450 1.00 0.00 C ATOM 1328 OG SER A 87 7.379 11.561 -0.519 1.00 0.00 O ATOM 0 H SER A 87 7.539 8.591 0.082 1.00 0.00 H new ATOM 0 HA SER A 87 6.387 10.170 2.199 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.377 11.520 -0.028 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.434 12.171 1.209 1.00 0.00 H new ATOM 0 HG SER A 87 7.305 12.450 -0.925 1.00 0.00 H new ATOM 1334 N LYS A 88 4.080 9.445 1.355 1.00 0.00 N ATOM 1335 CA LYS A 88 2.854 8.720 1.066 1.00 0.00 C ATOM 1336 C LYS A 88 1.798 9.698 0.547 1.00 0.00 C ATOM 1337 O LYS A 88 1.602 10.767 1.122 1.00 0.00 O ATOM 1338 CB LYS A 88 2.404 7.920 2.290 1.00 0.00 C ATOM 1339 CG LYS A 88 1.442 8.737 3.155 1.00 0.00 C ATOM 1340 CD LYS A 88 0.021 8.687 2.592 1.00 0.00 C ATOM 1341 CE LYS A 88 -0.903 7.881 3.507 1.00 0.00 C ATOM 1342 NZ LYS A 88 -2.076 8.692 3.905 1.00 0.00 N ATOM 0 H LYS A 88 3.993 10.158 2.080 1.00 0.00 H new ATOM 0 HA LYS A 88 3.022 7.986 0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.917 6.999 1.968 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.274 7.631 2.880 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.447 8.351 4.174 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.781 9.772 3.204 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.365 9.700 2.480 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.035 8.240 1.598 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.235 6.978 2.994 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.357 7.561 4.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.023 8.903 4.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.081 9.582 3.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.948 8.162 3.706 1.00 0.00 H new ATOM 1356 N LYS A 89 1.145 9.295 -0.533 1.00 0.00 N ATOM 1357 CA LYS A 89 0.114 10.123 -1.136 1.00 0.00 C ATOM 1358 C LYS A 89 -1.198 9.338 -1.188 1.00 0.00 C ATOM 1359 O LYS A 89 -1.191 8.108 -1.170 1.00 0.00 O ATOM 1360 CB LYS A 89 0.573 10.643 -2.499 1.00 0.00 C ATOM 1361 CG LYS A 89 -0.350 11.755 -3.001 1.00 0.00 C ATOM 1362 CD LYS A 89 -0.022 13.088 -2.324 1.00 0.00 C ATOM 1363 CE LYS A 89 1.408 13.527 -2.642 1.00 0.00 C ATOM 1364 NZ LYS A 89 2.165 13.772 -1.394 1.00 0.00 N ATOM 0 H LYS A 89 1.310 8.406 -1.006 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.067 11.009 -0.527 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.593 11.019 -2.424 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.587 9.824 -3.219 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.248 11.857 -4.081 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.388 11.488 -2.803 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.724 13.852 -2.658 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.145 12.992 -1.245 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.908 12.759 -3.232 1.00 0.00 H new ATOM 0 HE3 LYS A 89 1.390 14.433 -3.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 3.134 14.069 -1.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.696 14.521 -0.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 2.198 12.898 -0.831 1.00 0.00 H new ATOM 1378 N VAL A 90 -2.293 10.081 -1.251 1.00 0.00 N ATOM 1379 CA VAL A 90 -3.610 9.469 -1.305 1.00 0.00 C ATOM 1380 C VAL A 90 -4.438 10.148 -2.399 1.00 0.00 C ATOM 1381 O VAL A 90 -4.587 11.369 -2.402 1.00 0.00 O ATOM 1382 CB VAL A 90 -4.274 9.532 0.072 1.00 0.00 C ATOM 1383 CG1 VAL A 90 -5.706 8.996 0.016 1.00 0.00 C ATOM 1384 CG2 VAL A 90 -3.446 8.777 1.114 1.00 0.00 C ATOM 0 H VAL A 90 -2.295 11.101 -1.266 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.530 8.413 -1.564 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.320 10.578 0.374 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.155 9.052 1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.292 9.595 -0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.693 7.959 -0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.940 8.837 2.084 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.354 7.732 0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.454 9.223 1.183 1.00 0.00 H new ATOM 1394 N LYS A 91 -4.954 9.326 -3.301 1.00 0.00 N ATOM 1395 CA LYS A 91 -5.762 9.832 -4.398 1.00 0.00 C ATOM 1396 C LYS A 91 -7.223 9.436 -4.173 1.00 0.00 C ATOM 1397 O LYS A 91 -7.582 8.957 -3.099 1.00 0.00 O ATOM 1398 CB LYS A 91 -5.198 9.364 -5.740 1.00 0.00 C ATOM 1399 CG LYS A 91 -4.234 8.190 -5.551 1.00 0.00 C ATOM 1400 CD LYS A 91 -3.645 7.743 -6.890 1.00 0.00 C ATOM 1401 CE LYS A 91 -2.803 8.855 -7.517 1.00 0.00 C ATOM 1402 NZ LYS A 91 -3.489 9.420 -8.700 1.00 0.00 N ATOM 0 H LYS A 91 -4.828 8.314 -3.295 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.726 10.921 -4.427 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.015 9.066 -6.398 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.680 10.189 -6.228 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.430 8.480 -4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.758 7.356 -5.084 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.030 6.855 -6.743 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.450 7.464 -7.570 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.624 9.641 -6.783 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.829 8.462 -7.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.904 10.174 -9.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.638 8.671 -9.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.408 9.813 -8.413 1.00 0.00 H new ATOM 1416 N THR A 92 -8.026 9.651 -5.205 1.00 0.00 N ATOM 1417 CA THR A 92 -9.440 9.322 -5.134 1.00 0.00 C ATOM 1418 C THR A 92 -9.637 7.805 -5.166 1.00 0.00 C ATOM 1419 O THR A 92 -9.320 7.155 -6.160 1.00 0.00 O ATOM 1420 CB THR A 92 -10.153 10.052 -6.274 1.00 0.00 C ATOM 1421 OG1 THR A 92 -10.143 11.419 -5.872 1.00 0.00 O ATOM 1422 CG2 THR A 92 -11.639 9.698 -6.356 1.00 0.00 C ATOM 0 H THR A 92 -7.725 10.049 -6.095 1.00 0.00 H new ATOM 0 HA THR A 92 -9.877 9.655 -4.192 1.00 0.00 H new ATOM 0 HB THR A 92 -9.669 9.808 -7.220 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.585 11.964 -6.556 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.098 10.243 -7.181 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.749 8.626 -6.523 1.00 0.00 H new ATOM 0 HG23 THR A 92 -12.130 9.972 -5.423 1.00 0.00 H new ATOM 1430 N ASP A 93 -10.160 7.285 -4.065 1.00 0.00 N ATOM 1431 CA ASP A 93 -10.403 5.857 -3.954 1.00 0.00 C ATOM 1432 C ASP A 93 -9.109 5.099 -4.254 1.00 0.00 C ATOM 1433 O ASP A 93 -9.141 3.914 -4.582 1.00 0.00 O ATOM 1434 CB ASP A 93 -11.463 5.399 -4.958 1.00 0.00 C ATOM 1435 CG ASP A 93 -12.900 5.790 -4.605 1.00 0.00 C ATOM 1436 OD1 ASP A 93 -13.072 6.408 -3.533 1.00 0.00 O ATOM 1437 OD2 ASP A 93 -13.792 5.461 -5.416 1.00 0.00 O ATOM 0 H ASP A 93 -10.422 7.827 -3.242 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.752 5.652 -2.942 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.219 5.814 -5.936 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -11.410 4.314 -5.050 1.00 0.00 H new ATOM 1442 N THR A 94 -8.000 5.813 -4.131 1.00 0.00 N ATOM 1443 CA THR A 94 -6.697 5.223 -4.386 1.00 0.00 C ATOM 1444 C THR A 94 -5.647 5.824 -3.449 1.00 0.00 C ATOM 1445 O THR A 94 -5.723 7.001 -3.100 1.00 0.00 O ATOM 1446 CB THR A 94 -6.371 5.416 -5.868 1.00 0.00 C ATOM 1447 OG1 THR A 94 -7.260 4.527 -6.538 1.00 0.00 O ATOM 1448 CG2 THR A 94 -4.979 4.898 -6.234 1.00 0.00 C ATOM 0 H THR A 94 -7.977 6.795 -3.858 1.00 0.00 H new ATOM 0 HA THR A 94 -6.700 4.153 -4.177 1.00 0.00 H new ATOM 0 HB THR A 94 -6.442 6.474 -6.120 1.00 0.00 H new ATOM 0 HG1 THR A 94 -7.117 4.589 -7.506 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.799 5.059 -7.297 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.227 5.433 -5.653 1.00 0.00 H new ATOM 0 HG23 THR A 94 -4.918 3.832 -6.013 1.00 0.00 H new ATOM 1456 N VAL A 95 -4.691 4.988 -3.070 1.00 0.00 N ATOM 1457 CA VAL A 95 -3.627 5.423 -2.180 1.00 0.00 C ATOM 1458 C VAL A 95 -2.286 5.324 -2.910 1.00 0.00 C ATOM 1459 O VAL A 95 -1.951 4.277 -3.461 1.00 0.00 O ATOM 1460 CB VAL A 95 -3.664 4.610 -0.885 1.00 0.00 C ATOM 1461 CG1 VAL A 95 -3.586 3.110 -1.176 1.00 0.00 C ATOM 1462 CG2 VAL A 95 -2.545 5.043 0.066 1.00 0.00 C ATOM 0 H VAL A 95 -4.631 4.013 -3.363 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.767 6.466 -1.897 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.617 4.806 -0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.614 2.555 -0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.432 2.815 -1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.656 2.889 -1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.594 4.450 0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.579 4.890 -0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.665 6.098 0.312 1.00 0.00 H new ATOM 1472 N LEU A 96 -1.556 6.429 -2.891 1.00 0.00 N ATOM 1473 CA LEU A 96 -0.259 6.481 -3.544 1.00 0.00 C ATOM 1474 C LEU A 96 0.838 6.217 -2.511 1.00 0.00 C ATOM 1475 O LEU A 96 0.710 6.604 -1.351 1.00 0.00 O ATOM 1476 CB LEU A 96 -0.090 7.802 -4.297 1.00 0.00 C ATOM 1477 CG LEU A 96 -0.310 7.745 -5.810 1.00 0.00 C ATOM 1478 CD1 LEU A 96 0.183 9.027 -6.484 1.00 0.00 C ATOM 1479 CD2 LEU A 96 0.338 6.496 -6.411 1.00 0.00 C ATOM 0 H LEU A 96 -1.838 7.296 -2.433 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.181 5.699 -4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.785 8.529 -3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.916 8.178 -4.110 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.381 7.674 -5.997 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.015 8.961 -7.559 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.362 9.882 -6.084 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.248 9.153 -6.290 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.167 6.480 -7.487 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.410 6.512 -6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.101 5.606 -5.960 1.00 0.00 H new ATOM 1491 N ILE A 97 1.893 5.559 -2.970 1.00 0.00 N ATOM 1492 CA ILE A 97 3.012 5.239 -2.101 1.00 0.00 C ATOM 1493 C ILE A 97 4.313 5.703 -2.759 1.00 0.00 C ATOM 1494 O ILE A 97 4.961 4.936 -3.470 1.00 0.00 O ATOM 1495 CB ILE A 97 3.002 3.752 -1.740 1.00 0.00 C ATOM 1496 CG1 ILE A 97 1.650 3.339 -1.155 1.00 0.00 C ATOM 1497 CG2 ILE A 97 4.161 3.407 -0.803 1.00 0.00 C ATOM 1498 CD1 ILE A 97 1.432 3.971 0.222 1.00 0.00 C ATOM 0 H ILE A 97 1.996 5.239 -3.933 1.00 0.00 H new ATOM 0 HA ILE A 97 2.924 5.774 -1.155 1.00 0.00 H new ATOM 0 HB ILE A 97 3.146 3.178 -2.655 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.850 3.643 -1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.602 2.253 -1.072 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.130 2.344 -0.562 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.106 3.641 -1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.073 3.989 0.114 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.464 3.661 0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.220 3.645 0.901 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.456 5.057 0.132 1.00 0.00 H new ATOM 1510 N LEU A 98 4.656 6.956 -2.499 1.00 0.00 N ATOM 1511 CA LEU A 98 5.868 7.531 -3.057 1.00 0.00 C ATOM 1512 C LEU A 98 7.081 6.988 -2.299 1.00 0.00 C ATOM 1513 O LEU A 98 7.229 7.230 -1.102 1.00 0.00 O ATOM 1514 CB LEU A 98 5.782 9.059 -3.066 1.00 0.00 C ATOM 1515 CG LEU A 98 4.680 9.663 -3.939 1.00 0.00 C ATOM 1516 CD1 LEU A 98 4.136 10.952 -3.320 1.00 0.00 C ATOM 1517 CD2 LEU A 98 5.172 9.878 -5.372 1.00 0.00 C ATOM 0 H LEU A 98 4.116 7.589 -1.909 1.00 0.00 H new ATOM 0 HA LEU A 98 5.984 7.235 -4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.635 9.401 -2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.741 9.455 -3.400 1.00 0.00 H new ATOM 0 HG LEU A 98 3.853 8.954 -3.986 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.354 11.361 -3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.723 10.736 -2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.943 11.678 -3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.370 10.308 -5.971 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.025 10.557 -5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.473 8.922 -5.801 1.00 0.00 H new ATOM 1529 N CYS A 99 7.919 6.266 -3.028 1.00 0.00 N ATOM 1530 CA CYS A 99 9.115 5.687 -2.439 1.00 0.00 C ATOM 1531 C CYS A 99 10.333 6.256 -3.168 1.00 0.00 C ATOM 1532 O CYS A 99 10.535 5.988 -4.351 1.00 0.00 O ATOM 1533 CB CYS A 99 9.085 4.158 -2.487 1.00 0.00 C ATOM 1534 SG CYS A 99 7.985 3.512 -1.174 1.00 0.00 S ATOM 0 H CYS A 99 7.794 6.069 -4.021 1.00 0.00 H new ATOM 0 HA CYS A 99 9.168 5.952 -1.383 1.00 0.00 H new ATOM 0 HB2 CYS A 99 8.735 3.823 -3.463 1.00 0.00 H new ATOM 0 HB3 CYS A 99 10.092 3.762 -2.357 1.00 0.00 H new ATOM 0 HG CYS A 99 7.965 2.213 -1.225 1.00 0.00 H new ATOM 1540 N ARG A 100 11.114 7.033 -2.431 1.00 0.00 N ATOM 1541 CA ARG A 100 12.307 7.643 -2.993 1.00 0.00 C ATOM 1542 C ARG A 100 13.282 6.564 -3.467 1.00 0.00 C ATOM 1543 O ARG A 100 13.319 5.467 -2.911 1.00 0.00 O ATOM 1544 CB ARG A 100 13.006 8.535 -1.964 1.00 0.00 C ATOM 1545 CG ARG A 100 12.441 9.956 -1.997 1.00 0.00 C ATOM 1546 CD ARG A 100 12.440 10.513 -3.423 1.00 0.00 C ATOM 1547 NE ARG A 100 11.097 10.361 -4.024 1.00 0.00 N ATOM 1548 CZ ARG A 100 10.594 11.181 -4.957 1.00 0.00 C ATOM 1549 NH1 ARG A 100 11.320 12.216 -5.401 1.00 0.00 N ATOM 1550 NH2 ARG A 100 9.365 10.966 -5.446 1.00 0.00 N ATOM 0 H ARG A 100 10.944 7.254 -1.450 1.00 0.00 H new ATOM 0 HA ARG A 100 11.998 8.256 -3.840 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.881 8.113 -0.967 1.00 0.00 H new ATOM 0 HB3 ARG A 100 14.077 8.561 -2.167 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.425 9.957 -1.602 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.035 10.602 -1.351 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.726 11.565 -3.412 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.180 9.988 -4.028 1.00 0.00 H new ATOM 0 HE ARG A 100 10.517 9.583 -3.708 1.00 0.00 H new ATOM 0 HH11 ARG A 100 12.255 12.380 -5.029 1.00 0.00 H new ATOM 0 HH12 ARG A 100 10.937 12.840 -6.111 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.812 10.178 -5.108 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.982 11.590 -6.156 1.00 0.00 H new ATOM 1564 N LYS A 101 14.048 6.912 -4.491 1.00 0.00 N ATOM 1565 CA LYS A 101 15.020 5.986 -5.047 1.00 0.00 C ATOM 1566 C LYS A 101 16.420 6.373 -4.566 1.00 0.00 C ATOM 1567 O LYS A 101 16.810 7.537 -4.652 1.00 0.00 O ATOM 1568 CB LYS A 101 14.890 5.923 -6.570 1.00 0.00 C ATOM 1569 CG LYS A 101 14.033 4.729 -6.998 1.00 0.00 C ATOM 1570 CD LYS A 101 14.292 4.365 -8.461 1.00 0.00 C ATOM 1571 CE LYS A 101 14.078 2.869 -8.700 1.00 0.00 C ATOM 1572 NZ LYS A 101 15.365 2.202 -8.996 1.00 0.00 N ATOM 0 H LYS A 101 14.015 7.822 -4.950 1.00 0.00 H new ATOM 0 HA LYS A 101 14.828 4.974 -4.691 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.444 6.846 -6.939 1.00 0.00 H new ATOM 0 HB3 LYS A 101 15.880 5.845 -7.020 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.253 3.872 -6.362 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.978 4.966 -6.860 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.626 4.939 -9.106 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.312 4.638 -8.732 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.621 2.416 -7.820 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.387 2.723 -9.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.247 1.171 -8.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.669 2.447 -9.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.085 2.518 -8.315 1.00 0.00 H new ATOM 1585 N LYS A 102 17.137 5.376 -4.068 1.00 0.00 N ATOM 1586 CA LYS A 102 18.484 5.598 -3.573 1.00 0.00 C ATOM 1587 C LYS A 102 19.414 5.897 -4.751 1.00 0.00 C ATOM 1588 O LYS A 102 20.478 6.487 -4.573 1.00 0.00 O ATOM 1589 CB LYS A 102 18.941 4.417 -2.714 1.00 0.00 C ATOM 1590 CG LYS A 102 20.115 4.812 -1.816 1.00 0.00 C ATOM 1591 CD LYS A 102 20.283 3.820 -0.664 1.00 0.00 C ATOM 1592 CE LYS A 102 21.762 3.531 -0.401 1.00 0.00 C ATOM 1593 NZ LYS A 102 22.435 4.730 0.146 1.00 0.00 N ATOM 0 H LYS A 102 16.810 4.413 -3.997 1.00 0.00 H new ATOM 0 HA LYS A 102 18.509 6.468 -2.917 1.00 0.00 H new ATOM 0 HB2 LYS A 102 18.111 4.067 -2.100 1.00 0.00 H new ATOM 0 HB3 LYS A 102 19.234 3.587 -3.357 1.00 0.00 H new ATOM 0 HG2 LYS A 102 21.031 4.849 -2.405 1.00 0.00 H new ATOM 0 HG3 LYS A 102 19.952 5.813 -1.417 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.822 4.223 0.238 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.764 2.891 -0.900 1.00 0.00 H new ATOM 0 HE2 LYS A 102 21.858 2.702 0.300 1.00 0.00 H new ATOM 0 HE3 LYS A 102 22.249 3.224 -1.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 23.434 4.512 0.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 22.375 5.507 -0.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 21.970 5.016 1.031 1.00 0.00 H new ATOM 1607 N VAL A 103 18.977 5.475 -5.929 1.00 0.00 N ATOM 1608 CA VAL A 103 19.757 5.691 -7.136 1.00 0.00 C ATOM 1609 C VAL A 103 18.817 5.748 -8.342 1.00 0.00 C ATOM 1610 O VAL A 103 18.135 4.771 -8.649 1.00 0.00 O ATOM 1611 CB VAL A 103 20.830 4.608 -7.266 1.00 0.00 C ATOM 1612 CG1 VAL A 103 20.525 3.420 -6.351 1.00 0.00 C ATOM 1613 CG2 VAL A 103 20.979 4.156 -8.720 1.00 0.00 C ATOM 0 H VAL A 103 18.094 4.985 -6.073 1.00 0.00 H new ATOM 0 HA VAL A 103 20.281 6.645 -7.086 1.00 0.00 H new ATOM 0 HB VAL A 103 21.780 5.039 -6.950 1.00 0.00 H new ATOM 0 HG11 VAL A 103 21.303 2.665 -6.463 1.00 0.00 H new ATOM 0 HG12 VAL A 103 20.493 3.757 -5.315 1.00 0.00 H new ATOM 0 HG13 VAL A 103 19.561 2.990 -6.622 1.00 0.00 H new ATOM 0 HG21 VAL A 103 21.748 3.386 -8.785 1.00 0.00 H new ATOM 0 HG22 VAL A 103 20.031 3.752 -9.075 1.00 0.00 H new ATOM 0 HG23 VAL A 103 21.265 5.007 -9.338 1.00 0.00 H new ATOM 1623 N GLU A 104 18.810 6.902 -8.993 1.00 0.00 N ATOM 1624 CA GLU A 104 17.965 7.099 -10.158 1.00 0.00 C ATOM 1625 C GLU A 104 18.532 6.340 -11.360 1.00 0.00 C ATOM 1626 O GLU A 104 19.681 5.902 -11.336 1.00 0.00 O ATOM 1627 CB GLU A 104 17.807 8.588 -10.474 1.00 0.00 C ATOM 1628 CG GLU A 104 17.563 9.397 -9.199 1.00 0.00 C ATOM 1629 CD GLU A 104 18.857 10.053 -8.711 1.00 0.00 C ATOM 1630 OE1 GLU A 104 19.260 11.053 -9.343 1.00 0.00 O ATOM 1631 OE2 GLU A 104 19.413 9.540 -7.716 1.00 0.00 O ATOM 0 H GLU A 104 19.376 7.710 -8.735 1.00 0.00 H new ATOM 0 HA GLU A 104 16.975 6.701 -9.937 1.00 0.00 H new ATOM 0 HB2 GLU A 104 18.703 8.954 -10.975 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.975 8.731 -11.164 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.811 10.163 -9.388 1.00 0.00 H new ATOM 0 HG3 GLU A 104 17.165 8.746 -8.421 1.00 0.00 H new ATOM 1638 N ASN A 105 17.699 6.209 -12.382 1.00 0.00 N ATOM 1639 CA ASN A 105 18.103 5.511 -13.591 1.00 0.00 C ATOM 1640 C ASN A 105 18.229 4.015 -13.292 1.00 0.00 C ATOM 1641 O ASN A 105 19.226 3.390 -13.649 1.00 0.00 O ATOM 1642 CB ASN A 105 19.461 6.010 -14.088 1.00 0.00 C ATOM 1643 CG ASN A 105 19.475 6.134 -15.613 1.00 0.00 C ATOM 1644 OD1 ASN A 105 19.683 5.174 -16.337 1.00 0.00 O ATOM 1645 ND2 ASN A 105 19.243 7.365 -16.057 1.00 0.00 N ATOM 0 H ASN A 105 16.747 6.574 -12.398 1.00 0.00 H new ATOM 0 HA ASN A 105 17.349 5.697 -14.356 1.00 0.00 H new ATOM 0 HB2 ASN A 105 19.683 6.978 -13.639 1.00 0.00 H new ATOM 0 HB3 ASN A 105 20.244 5.323 -13.768 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.231 7.552 -17.060 1.00 0.00 H new ATOM 0 HD22 ASN A 105 19.076 8.123 -15.395 1.00 0.00 H new ATOM 1652 N THR A 106 17.204 3.486 -12.642 1.00 0.00 N ATOM 1653 CA THR A 106 17.187 2.075 -12.292 1.00 0.00 C ATOM 1654 C THR A 106 15.789 1.491 -12.499 1.00 0.00 C ATOM 1655 O THR A 106 14.788 2.174 -12.285 1.00 0.00 O ATOM 1656 CB THR A 106 17.696 1.939 -10.855 1.00 0.00 C ATOM 1657 OG1 THR A 106 19.113 1.883 -10.993 1.00 0.00 O ATOM 1658 CG2 THR A 106 17.329 0.592 -10.229 1.00 0.00 C ATOM 0 H THR A 106 16.379 4.008 -12.348 1.00 0.00 H new ATOM 0 HA THR A 106 17.845 1.498 -12.942 1.00 0.00 H new ATOM 0 HB THR A 106 17.286 2.745 -10.247 1.00 0.00 H new ATOM 0 HG1 THR A 106 19.525 1.796 -10.108 1.00 0.00 H new ATOM 0 HG21 THR A 106 17.714 0.547 -9.210 1.00 0.00 H new ATOM 0 HG22 THR A 106 16.245 0.482 -10.213 1.00 0.00 H new ATOM 0 HG23 THR A 106 17.767 -0.214 -10.818 1.00 0.00 H new ATOM 1666 N ARG A 107 15.764 0.233 -12.914 1.00 0.00 N ATOM 1667 CA ARG A 107 14.505 -0.452 -13.152 1.00 0.00 C ATOM 1668 C ARG A 107 14.323 -1.594 -12.151 1.00 0.00 C ATOM 1669 O ARG A 107 15.258 -2.351 -11.892 1.00 0.00 O ATOM 1670 CB ARG A 107 14.444 -1.014 -14.574 1.00 0.00 C ATOM 1671 CG ARG A 107 13.333 -0.342 -15.383 1.00 0.00 C ATOM 1672 CD ARG A 107 13.881 0.832 -16.197 1.00 0.00 C ATOM 1673 NE ARG A 107 14.629 0.329 -17.371 1.00 0.00 N ATOM 1674 CZ ARG A 107 15.139 1.114 -18.329 1.00 0.00 C ATOM 1675 NH1 ARG A 107 14.985 2.443 -18.259 1.00 0.00 N ATOM 1676 NH2 ARG A 107 15.803 0.570 -19.358 1.00 0.00 N ATOM 0 H ARG A 107 16.596 -0.330 -13.092 1.00 0.00 H new ATOM 0 HA ARG A 107 13.703 0.276 -13.026 1.00 0.00 H new ATOM 0 HB2 ARG A 107 15.403 -0.862 -15.070 1.00 0.00 H new ATOM 0 HB3 ARG A 107 14.271 -2.090 -14.536 1.00 0.00 H new ATOM 0 HG2 ARG A 107 12.874 -1.070 -16.052 1.00 0.00 H new ATOM 0 HG3 ARG A 107 12.551 0.011 -14.711 1.00 0.00 H new ATOM 0 HD2 ARG A 107 13.062 1.472 -16.524 1.00 0.00 H new ATOM 0 HD3 ARG A 107 14.534 1.444 -15.574 1.00 0.00 H new ATOM 0 HE ARG A 107 14.765 -0.678 -17.456 1.00 0.00 H new ATOM 0 HH11 ARG A 107 14.479 2.857 -17.476 1.00 0.00 H new ATOM 0 HH12 ARG A 107 15.373 3.041 -18.989 1.00 0.00 H new ATOM 0 HH21 ARG A 107 15.920 -0.442 -19.412 1.00 0.00 H new ATOM 0 HH22 ARG A 107 16.191 1.168 -20.088 1.00 0.00 H new ATOM 1690 N TRP A 108 13.115 -1.683 -11.616 1.00 0.00 N ATOM 1691 CA TRP A 108 12.799 -2.721 -10.649 1.00 0.00 C ATOM 1692 C TRP A 108 12.100 -3.862 -11.390 1.00 0.00 C ATOM 1693 O TRP A 108 10.923 -3.756 -11.732 1.00 0.00 O ATOM 1694 CB TRP A 108 11.966 -2.159 -9.494 1.00 0.00 C ATOM 1695 CG TRP A 108 12.749 -1.244 -8.550 1.00 0.00 C ATOM 1696 CD1 TRP A 108 13.822 -0.492 -8.831 1.00 0.00 C ATOM 1697 CD2 TRP A 108 12.473 -1.012 -7.153 1.00 0.00 C ATOM 1698 NE1 TRP A 108 14.257 0.204 -7.722 1.00 0.00 N ATOM 1699 CE2 TRP A 108 13.410 -0.123 -6.668 1.00 0.00 C ATOM 1700 CE3 TRP A 108 11.465 -1.537 -6.325 1.00 0.00 C ATOM 1701 CZ2 TRP A 108 13.432 0.320 -5.340 1.00 0.00 C ATOM 1702 CZ3 TRP A 108 11.501 -1.085 -5.001 1.00 0.00 C ATOM 1703 CH2 TRP A 108 12.438 -0.190 -4.498 1.00 0.00 C ATOM 0 H TRP A 108 12.343 -1.053 -11.833 1.00 0.00 H new ATOM 0 HA TRP A 108 13.708 -3.110 -10.190 1.00 0.00 H new ATOM 0 HB2 TRP A 108 11.122 -1.604 -9.904 1.00 0.00 H new ATOM 0 HB3 TRP A 108 11.553 -2.989 -8.920 1.00 0.00 H new ATOM 0 HD1 TRP A 108 14.288 -0.438 -9.804 1.00 0.00 H new ATOM 0 HE1 TRP A 108 15.053 0.841 -7.682 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.722 -2.234 -6.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 14.176 1.018 -4.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 10.748 -1.458 -4.323 1.00 0.00 H new ATOM 0 HH2 TRP A 108 12.399 0.110 -3.461 1.00 0.00 H new ATOM 1714 N ASP A 109 12.854 -4.927 -11.618 1.00 0.00 N ATOM 1715 CA ASP A 109 12.322 -6.086 -12.313 1.00 0.00 C ATOM 1716 C ASP A 109 11.185 -6.692 -11.488 1.00 0.00 C ATOM 1717 O ASP A 109 10.342 -7.413 -12.021 1.00 0.00 O ATOM 1718 CB ASP A 109 13.396 -7.160 -12.498 1.00 0.00 C ATOM 1719 CG ASP A 109 14.552 -6.766 -13.420 1.00 0.00 C ATOM 1720 OD1 ASP A 109 15.301 -5.845 -13.030 1.00 0.00 O ATOM 1721 OD2 ASP A 109 14.659 -7.395 -14.495 1.00 0.00 O ATOM 0 H ASP A 109 13.830 -5.011 -11.333 1.00 0.00 H new ATOM 0 HA ASP A 109 11.968 -5.759 -13.291 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.803 -7.418 -11.520 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.925 -8.059 -12.895 1.00 0.00 H new ATOM 1726 N TYR A 110 11.198 -6.378 -10.201 1.00 0.00 N ATOM 1727 CA TYR A 110 10.178 -6.882 -9.297 1.00 0.00 C ATOM 1728 C TYR A 110 10.049 -5.989 -8.062 1.00 0.00 C ATOM 1729 O TYR A 110 11.044 -5.684 -7.406 1.00 0.00 O ATOM 1730 CB TYR A 110 10.651 -8.270 -8.861 1.00 0.00 C ATOM 1731 CG TYR A 110 10.951 -9.220 -10.022 1.00 0.00 C ATOM 1732 CD1 TYR A 110 9.920 -9.889 -10.650 1.00 0.00 C ATOM 1733 CD2 TYR A 110 12.252 -9.406 -10.443 1.00 0.00 C ATOM 1734 CE1 TYR A 110 10.202 -10.783 -11.744 1.00 0.00 C ATOM 1735 CE2 TYR A 110 12.534 -10.300 -11.536 1.00 0.00 C ATOM 1736 CZ TYR A 110 11.495 -10.944 -12.133 1.00 0.00 C ATOM 1737 OH TYR A 110 11.761 -11.788 -13.166 1.00 0.00 O ATOM 0 H TYR A 110 11.899 -5.781 -9.763 1.00 0.00 H new ATOM 0 HA TYR A 110 9.206 -6.907 -9.790 1.00 0.00 H new ATOM 0 HB2 TYR A 110 11.549 -8.162 -8.253 1.00 0.00 H new ATOM 0 HB3 TYR A 110 9.888 -8.719 -8.226 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.902 -9.742 -10.321 1.00 0.00 H new ATOM 0 HD2 TYR A 110 13.059 -8.881 -9.953 1.00 0.00 H new ATOM 0 HE1 TYR A 110 9.405 -11.313 -12.244 1.00 0.00 H new ATOM 0 HE2 TYR A 110 13.548 -10.456 -11.874 1.00 0.00 H new ATOM 0 HH TYR A 110 12.726 -11.804 -13.335 1.00 0.00 H new ATOM 1747 N LEU A 111 8.816 -5.594 -7.783 1.00 0.00 N ATOM 1748 CA LEU A 111 8.544 -4.741 -6.638 1.00 0.00 C ATOM 1749 C LEU A 111 9.431 -5.169 -5.467 1.00 0.00 C ATOM 1750 O LEU A 111 9.986 -4.326 -4.764 1.00 0.00 O ATOM 1751 CB LEU A 111 7.049 -4.744 -6.311 1.00 0.00 C ATOM 1752 CG LEU A 111 6.458 -3.405 -5.866 1.00 0.00 C ATOM 1753 CD1 LEU A 111 5.056 -3.592 -5.281 1.00 0.00 C ATOM 1754 CD2 LEU A 111 7.394 -2.688 -4.891 1.00 0.00 C ATOM 0 H LEU A 111 7.994 -5.849 -8.330 1.00 0.00 H new ATOM 0 HA LEU A 111 8.795 -3.705 -6.866 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.505 -5.084 -7.192 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.871 -5.477 -5.524 1.00 0.00 H new ATOM 0 HG LEU A 111 6.359 -2.767 -6.744 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.659 -2.625 -4.972 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.402 -4.029 -6.036 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.108 -4.255 -4.418 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.949 -1.739 -4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.548 -3.311 -4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.352 -2.502 -5.376 1.00 0.00 H new ATOM 1766 N THR A 112 9.537 -6.478 -5.294 1.00 0.00 N ATOM 1767 CA THR A 112 10.348 -7.028 -4.221 1.00 0.00 C ATOM 1768 C THR A 112 11.248 -8.145 -4.751 1.00 0.00 C ATOM 1769 O THR A 112 10.998 -8.693 -5.823 1.00 0.00 O ATOM 1770 CB THR A 112 9.406 -7.485 -3.104 1.00 0.00 C ATOM 1771 OG1 THR A 112 8.365 -8.175 -3.789 1.00 0.00 O ATOM 1772 CG2 THR A 112 8.693 -6.314 -2.424 1.00 0.00 C ATOM 0 H THR A 112 9.075 -7.174 -5.879 1.00 0.00 H new ATOM 0 HA THR A 112 11.023 -6.277 -3.811 1.00 0.00 H new ATOM 0 HB THR A 112 9.970 -8.047 -2.360 1.00 0.00 H new ATOM 0 HG1 THR A 112 7.634 -8.367 -3.165 1.00 0.00 H new ATOM 0 HG21 THR A 112 8.037 -6.693 -1.640 1.00 0.00 H new ATOM 0 HG22 THR A 112 9.432 -5.643 -1.986 1.00 0.00 H new ATOM 0 HG23 THR A 112 8.101 -5.771 -3.161 1.00 0.00 H new ATOM 1780 N GLN A 113 12.278 -8.450 -3.974 1.00 0.00 N ATOM 1781 CA GLN A 113 13.217 -9.492 -4.352 1.00 0.00 C ATOM 1782 C GLN A 113 12.521 -10.854 -4.367 1.00 0.00 C ATOM 1783 O GLN A 113 12.795 -11.686 -5.230 1.00 0.00 O ATOM 1784 CB GLN A 113 14.428 -9.505 -3.417 1.00 0.00 C ATOM 1785 CG GLN A 113 15.242 -8.217 -3.556 1.00 0.00 C ATOM 1786 CD GLN A 113 16.725 -8.472 -3.278 1.00 0.00 C ATOM 1787 OE1 GLN A 113 17.470 -8.935 -4.126 1.00 0.00 O ATOM 1788 NE2 GLN A 113 17.109 -8.146 -2.048 1.00 0.00 N ATOM 0 H GLN A 113 12.482 -7.994 -3.085 1.00 0.00 H new ATOM 0 HA GLN A 113 13.579 -9.280 -5.358 1.00 0.00 H new ATOM 0 HB2 GLN A 113 14.094 -9.619 -2.386 1.00 0.00 H new ATOM 0 HB3 GLN A 113 15.059 -10.364 -3.645 1.00 0.00 H new ATOM 0 HG2 GLN A 113 15.121 -7.813 -4.561 1.00 0.00 H new ATOM 0 HG3 GLN A 113 14.862 -7.466 -2.863 1.00 0.00 H new ATOM 0 HE21 GLN A 113 16.433 -7.763 -1.387 1.00 0.00 H new ATOM 0 HE22 GLN A 113 18.080 -8.279 -1.765 1.00 0.00 H new ATOM 1797 N VAL A 114 11.634 -11.040 -3.400 1.00 0.00 N ATOM 1798 CA VAL A 114 10.897 -12.288 -3.291 1.00 0.00 C ATOM 1799 C VAL A 114 10.472 -12.748 -4.686 1.00 0.00 C ATOM 1800 O VAL A 114 10.859 -13.827 -5.132 1.00 0.00 O ATOM 1801 CB VAL A 114 9.717 -12.115 -2.333 1.00 0.00 C ATOM 1802 CG1 VAL A 114 8.900 -10.871 -2.688 1.00 0.00 C ATOM 1803 CG2 VAL A 114 8.834 -13.365 -2.320 1.00 0.00 C ATOM 0 H VAL A 114 11.409 -10.348 -2.685 1.00 0.00 H new ATOM 0 HA VAL A 114 11.529 -13.070 -2.870 1.00 0.00 H new ATOM 0 HB VAL A 114 10.118 -11.977 -1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 114 8.067 -10.772 -1.992 1.00 0.00 H new ATOM 0 HG12 VAL A 114 9.535 -9.988 -2.623 1.00 0.00 H new ATOM 0 HG13 VAL A 114 8.515 -10.966 -3.703 1.00 0.00 H new ATOM 0 HG21 VAL A 114 8.003 -13.216 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 114 8.447 -13.547 -3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 114 9.423 -14.223 -1.997 1.00 0.00 H new ATOM 1813 N GLU A 115 9.683 -11.907 -5.337 1.00 0.00 N ATOM 1814 CA GLU A 115 9.201 -12.214 -6.674 1.00 0.00 C ATOM 1815 C GLU A 115 10.353 -12.703 -7.553 1.00 0.00 C ATOM 1816 O GLU A 115 10.232 -13.723 -8.231 1.00 0.00 O ATOM 1817 CB GLU A 115 8.510 -11.000 -7.300 1.00 0.00 C ATOM 1818 CG GLU A 115 7.107 -11.361 -7.789 1.00 0.00 C ATOM 1819 CD GLU A 115 6.051 -10.996 -6.744 1.00 0.00 C ATOM 1820 OE1 GLU A 115 5.915 -11.777 -5.778 1.00 0.00 O ATOM 1821 OE2 GLU A 115 5.403 -9.944 -6.935 1.00 0.00 O ATOM 0 H GLU A 115 9.365 -11.013 -4.964 1.00 0.00 H new ATOM 0 HA GLU A 115 8.462 -13.012 -6.599 1.00 0.00 H new ATOM 0 HB2 GLU A 115 8.448 -10.195 -6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 115 9.105 -10.628 -8.134 1.00 0.00 H new ATOM 0 HG2 GLU A 115 6.897 -10.837 -8.722 1.00 0.00 H new ATOM 0 HG3 GLU A 115 7.057 -12.428 -8.005 1.00 0.00 H new ATOM 1828 N LYS A 116 11.445 -11.954 -7.515 1.00 0.00 N ATOM 1829 CA LYS A 116 12.618 -12.299 -8.300 1.00 0.00 C ATOM 1830 C LYS A 116 13.048 -13.728 -7.965 1.00 0.00 C ATOM 1831 O LYS A 116 12.875 -14.638 -8.775 1.00 0.00 O ATOM 1832 CB LYS A 116 13.723 -11.260 -8.097 1.00 0.00 C ATOM 1833 CG LYS A 116 15.045 -11.742 -8.697 1.00 0.00 C ATOM 1834 CD LYS A 116 15.412 -10.930 -9.941 1.00 0.00 C ATOM 1835 CE LYS A 116 15.422 -11.813 -11.190 1.00 0.00 C ATOM 1836 NZ LYS A 116 15.727 -11.006 -12.393 1.00 0.00 N ATOM 0 H LYS A 116 11.542 -11.109 -6.952 1.00 0.00 H new ATOM 0 HA LYS A 116 12.384 -12.278 -9.364 1.00 0.00 H new ATOM 0 HB2 LYS A 116 13.431 -10.318 -8.561 1.00 0.00 H new ATOM 0 HB3 LYS A 116 13.852 -11.065 -7.032 1.00 0.00 H new ATOM 0 HG2 LYS A 116 15.838 -11.655 -7.955 1.00 0.00 H new ATOM 0 HG3 LYS A 116 14.967 -12.797 -8.958 1.00 0.00 H new ATOM 0 HD2 LYS A 116 14.698 -10.117 -10.072 1.00 0.00 H new ATOM 0 HD3 LYS A 116 16.393 -10.474 -9.806 1.00 0.00 H new ATOM 0 HE2 LYS A 116 16.164 -12.604 -11.078 1.00 0.00 H new ATOM 0 HE3 LYS A 116 14.453 -12.299 -11.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 15.220 -11.398 -13.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 15.425 -10.023 -12.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 16.750 -11.029 -12.576 1.00 0.00 H new ATOM 1850 N GLU A 117 13.600 -13.881 -6.770 1.00 0.00 N ATOM 1851 CA GLU A 117 14.057 -15.185 -6.318 1.00 0.00 C ATOM 1852 C GLU A 117 13.096 -16.277 -6.793 1.00 0.00 C ATOM 1853 O GLU A 117 13.488 -17.170 -7.543 1.00 0.00 O ATOM 1854 CB GLU A 117 14.212 -15.214 -4.797 1.00 0.00 C ATOM 1855 CG GLU A 117 15.550 -14.607 -4.370 1.00 0.00 C ATOM 1856 CD GLU A 117 16.710 -15.546 -4.705 1.00 0.00 C ATOM 1857 OE1 GLU A 117 17.014 -16.402 -3.846 1.00 0.00 O ATOM 1858 OE2 GLU A 117 17.266 -15.388 -5.814 1.00 0.00 O ATOM 0 H GLU A 117 13.741 -13.124 -6.101 1.00 0.00 H new ATOM 0 HA GLU A 117 15.038 -15.377 -6.753 1.00 0.00 H new ATOM 0 HB2 GLU A 117 13.394 -14.662 -4.334 1.00 0.00 H new ATOM 0 HB3 GLU A 117 14.145 -16.242 -4.441 1.00 0.00 H new ATOM 0 HG2 GLU A 117 15.696 -13.650 -4.871 1.00 0.00 H new ATOM 0 HG3 GLU A 117 15.537 -14.407 -3.299 1.00 0.00 H new ATOM 1865 N CYS A 118 11.857 -16.170 -6.337 1.00 0.00 N ATOM 1866 CA CYS A 118 10.838 -17.138 -6.706 1.00 0.00 C ATOM 1867 C CYS A 118 10.800 -17.238 -8.232 1.00 0.00 C ATOM 1868 O CYS A 118 11.059 -18.301 -8.794 1.00 0.00 O ATOM 1869 CB CYS A 118 9.471 -16.769 -6.124 1.00 0.00 C ATOM 1870 SG CYS A 118 8.703 -18.240 -5.353 1.00 0.00 S ATOM 0 H CYS A 118 11.535 -15.428 -5.715 1.00 0.00 H new ATOM 0 HA CYS A 118 11.089 -18.112 -6.286 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.583 -15.977 -5.384 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.824 -16.381 -6.911 1.00 0.00 H new ATOM 0 HG CYS A 118 7.544 -17.916 -4.860 1.00 0.00 H new ATOM 1876 N LYS A 119 10.476 -16.117 -8.859 1.00 0.00 N ATOM 1877 CA LYS A 119 10.401 -16.066 -10.309 1.00 0.00 C ATOM 1878 C LYS A 119 11.549 -16.883 -10.904 1.00 0.00 C ATOM 1879 O LYS A 119 11.323 -17.775 -11.721 1.00 0.00 O ATOM 1880 CB LYS A 119 10.364 -14.615 -10.793 1.00 0.00 C ATOM 1881 CG LYS A 119 8.990 -13.989 -10.544 1.00 0.00 C ATOM 1882 CD LYS A 119 8.017 -14.335 -11.673 1.00 0.00 C ATOM 1883 CE LYS A 119 7.289 -15.650 -11.385 1.00 0.00 C ATOM 1884 NZ LYS A 119 5.853 -15.532 -11.722 1.00 0.00 N ATOM 0 H LYS A 119 10.262 -15.237 -8.389 1.00 0.00 H new ATOM 0 HA LYS A 119 9.473 -16.518 -10.658 1.00 0.00 H new ATOM 0 HB2 LYS A 119 11.130 -14.036 -10.277 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.598 -14.577 -11.857 1.00 0.00 H new ATOM 0 HG2 LYS A 119 8.591 -14.344 -9.594 1.00 0.00 H new ATOM 0 HG3 LYS A 119 9.089 -12.906 -10.463 1.00 0.00 H new ATOM 0 HD2 LYS A 119 7.290 -13.531 -11.791 1.00 0.00 H new ATOM 0 HD3 LYS A 119 8.560 -14.414 -12.615 1.00 0.00 H new ATOM 0 HE2 LYS A 119 7.739 -16.456 -11.964 1.00 0.00 H new ATOM 0 HE3 LYS A 119 7.401 -15.912 -10.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 5.374 -16.433 -11.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 5.423 -14.776 -11.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 5.751 -15.304 -12.732 1.00 0.00 H new ATOM 1898 N GLU A 120 12.756 -16.550 -10.472 1.00 0.00 N ATOM 1899 CA GLU A 120 13.941 -17.242 -10.951 1.00 0.00 C ATOM 1900 C GLU A 120 14.368 -18.318 -9.951 1.00 0.00 C ATOM 1901 O GLU A 120 13.537 -18.861 -9.225 1.00 0.00 O ATOM 1902 CB GLU A 120 15.081 -16.257 -11.218 1.00 0.00 C ATOM 1903 CG GLU A 120 14.598 -15.075 -12.060 1.00 0.00 C ATOM 1904 CD GLU A 120 14.949 -15.273 -13.536 1.00 0.00 C ATOM 1905 OE1 GLU A 120 16.164 -15.310 -13.830 1.00 0.00 O ATOM 1906 OE2 GLU A 120 13.996 -15.382 -14.337 1.00 0.00 O ATOM 0 H GLU A 120 12.939 -15.810 -9.795 1.00 0.00 H new ATOM 0 HA GLU A 120 13.697 -17.728 -11.895 1.00 0.00 H new ATOM 0 HB2 GLU A 120 15.482 -15.894 -10.272 1.00 0.00 H new ATOM 0 HB3 GLU A 120 15.894 -16.768 -11.734 1.00 0.00 H new ATOM 0 HG2 GLU A 120 13.519 -14.963 -11.951 1.00 0.00 H new ATOM 0 HG3 GLU A 120 15.053 -14.154 -11.695 1.00 0.00 H new ATOM 1913 N LYS A 121 15.665 -18.593 -9.945 1.00 0.00 N ATOM 1914 CA LYS A 121 16.213 -19.594 -9.045 1.00 0.00 C ATOM 1915 C LYS A 121 15.669 -20.971 -9.430 1.00 0.00 C ATOM 1916 O LYS A 121 14.592 -21.076 -10.016 1.00 0.00 O ATOM 1917 CB LYS A 121 15.943 -19.211 -7.589 1.00 0.00 C ATOM 1918 CG LYS A 121 17.036 -19.756 -6.667 1.00 0.00 C ATOM 1919 CD LYS A 121 16.668 -19.547 -5.197 1.00 0.00 C ATOM 1920 CE LYS A 121 15.764 -20.673 -4.692 1.00 0.00 C ATOM 1921 NZ LYS A 121 15.358 -20.423 -3.291 1.00 0.00 N ATOM 0 H LYS A 121 16.351 -18.140 -10.549 1.00 0.00 H new ATOM 0 HA LYS A 121 17.298 -19.641 -9.142 1.00 0.00 H new ATOM 0 HB2 LYS A 121 15.893 -18.126 -7.498 1.00 0.00 H new ATOM 0 HB3 LYS A 121 14.973 -19.602 -7.280 1.00 0.00 H new ATOM 0 HG2 LYS A 121 17.184 -20.818 -6.861 1.00 0.00 H new ATOM 0 HG3 LYS A 121 17.981 -19.258 -6.883 1.00 0.00 H new ATOM 0 HD2 LYS A 121 17.575 -19.506 -4.594 1.00 0.00 H new ATOM 0 HD3 LYS A 121 16.162 -18.589 -5.078 1.00 0.00 H new ATOM 0 HE2 LYS A 121 14.880 -20.749 -5.325 1.00 0.00 H new ATOM 0 HE3 LYS A 121 16.288 -21.626 -4.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 14.745 -21.197 -2.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 16.204 -20.373 -2.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 14.840 -19.523 -3.235 1.00 0.00 H new ATOM 1935 N SER A 122 16.438 -21.993 -9.085 1.00 0.00 N ATOM 1936 CA SER A 122 16.046 -23.360 -9.387 1.00 0.00 C ATOM 1937 C SER A 122 14.815 -23.745 -8.564 1.00 0.00 C ATOM 1938 O SER A 122 14.942 -24.273 -7.461 1.00 0.00 O ATOM 1939 CB SER A 122 17.193 -24.334 -9.113 1.00 0.00 C ATOM 1940 OG SER A 122 17.961 -24.598 -10.285 1.00 0.00 O ATOM 0 H SER A 122 17.330 -21.902 -8.599 1.00 0.00 H new ATOM 0 HA SER A 122 15.800 -23.419 -10.447 1.00 0.00 H new ATOM 0 HB2 SER A 122 17.841 -23.922 -8.340 1.00 0.00 H new ATOM 0 HB3 SER A 122 16.790 -25.270 -8.726 1.00 0.00 H new ATOM 0 HG SER A 122 18.684 -25.223 -10.068 1.00 0.00 H new ATOM 1946 N GLY A 123 13.652 -23.466 -9.134 1.00 0.00 N ATOM 1947 CA GLY A 123 12.398 -23.777 -8.467 1.00 0.00 C ATOM 1948 C GLY A 123 11.218 -23.649 -9.432 1.00 0.00 C ATOM 1949 O GLY A 123 11.262 -24.171 -10.545 1.00 0.00 O ATOM 0 H GLY A 123 13.551 -23.028 -10.050 1.00 0.00 H new ATOM 0 HA2 GLY A 123 12.437 -24.790 -8.066 1.00 0.00 H new ATOM 0 HA3 GLY A 123 12.255 -23.105 -7.621 1.00 0.00 H new ATOM 1953 N PRO A 124 10.163 -22.934 -8.957 1.00 0.00 N ATOM 1954 CA PRO A 124 8.972 -22.731 -9.765 1.00 0.00 C ATOM 1955 C PRO A 124 9.225 -21.696 -10.863 1.00 0.00 C ATOM 1956 O PRO A 124 9.363 -20.506 -10.581 1.00 0.00 O ATOM 1957 CB PRO A 124 7.897 -22.302 -8.781 1.00 0.00 C ATOM 1958 CG PRO A 124 8.634 -21.832 -7.537 1.00 0.00 C ATOM 1959 CD PRO A 124 10.076 -22.302 -7.644 1.00 0.00 C ATOM 0 HA PRO A 124 8.667 -23.631 -10.299 1.00 0.00 H new ATOM 0 HB2 PRO A 124 7.283 -21.503 -9.197 1.00 0.00 H new ATOM 0 HB3 PRO A 124 7.227 -23.130 -8.549 1.00 0.00 H new ATOM 0 HG2 PRO A 124 8.592 -20.746 -7.456 1.00 0.00 H new ATOM 0 HG3 PRO A 124 8.166 -22.237 -6.640 1.00 0.00 H new ATOM 0 HD2 PRO A 124 10.772 -21.467 -7.559 1.00 0.00 H new ATOM 0 HD3 PRO A 124 10.323 -23.005 -6.849 1.00 0.00 H new ATOM 1967 N SER A 125 9.278 -22.186 -12.093 1.00 0.00 N ATOM 1968 CA SER A 125 9.512 -21.318 -13.235 1.00 0.00 C ATOM 1969 C SER A 125 8.194 -21.046 -13.964 1.00 0.00 C ATOM 1970 O SER A 125 7.859 -21.735 -14.926 1.00 0.00 O ATOM 1971 CB SER A 125 10.532 -21.933 -14.195 1.00 0.00 C ATOM 1972 OG SER A 125 10.626 -21.202 -15.414 1.00 0.00 O ATOM 0 H SER A 125 9.163 -23.173 -12.324 1.00 0.00 H new ATOM 0 HA SER A 125 9.920 -20.375 -12.870 1.00 0.00 H new ATOM 0 HB2 SER A 125 11.510 -21.963 -13.714 1.00 0.00 H new ATOM 0 HB3 SER A 125 10.251 -22.964 -14.411 1.00 0.00 H new ATOM 0 HG SER A 125 11.288 -21.625 -15.999 1.00 0.00 H new ATOM 1978 N SER A 126 7.483 -20.039 -13.478 1.00 0.00 N ATOM 1979 CA SER A 126 6.209 -19.668 -14.071 1.00 0.00 C ATOM 1980 C SER A 126 6.385 -18.431 -14.954 1.00 0.00 C ATOM 1981 O SER A 126 6.937 -17.423 -14.515 1.00 0.00 O ATOM 1982 CB SER A 126 5.156 -19.405 -12.993 1.00 0.00 C ATOM 1983 OG SER A 126 3.928 -20.072 -13.273 1.00 0.00 O ATOM 0 H SER A 126 7.765 -19.469 -12.681 1.00 0.00 H new ATOM 0 HA SER A 126 5.861 -20.499 -14.685 1.00 0.00 H new ATOM 0 HB2 SER A 126 5.536 -19.736 -12.026 1.00 0.00 H new ATOM 0 HB3 SER A 126 4.977 -18.333 -12.915 1.00 0.00 H new ATOM 0 HG SER A 126 3.282 -19.881 -12.561 1.00 0.00 H new ATOM 1989 N GLY A 127 5.904 -18.548 -16.183 1.00 0.00 N ATOM 1990 CA GLY A 127 6.000 -17.451 -17.132 1.00 0.00 C ATOM 1991 C GLY A 127 7.192 -17.643 -18.072 1.00 0.00 C ATOM 1992 O GLY A 127 7.101 -17.351 -19.263 1.00 0.00 O ATOM 0 H GLY A 127 5.447 -19.385 -16.544 1.00 0.00 H new ATOM 0 HA2 GLY A 127 5.080 -17.387 -17.713 1.00 0.00 H new ATOM 0 HA3 GLY A 127 6.104 -16.508 -16.595 1.00 0.00 H new TER 1996 GLY A 127