USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 784 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 106 CUCU :(H bumps) USER MOD NoAdj-H: A 92 HIS HD1 : A 92 HIS ND1 : A 106 CUCU :(H bumps) USER MOD Set 1.1: A 67 SER OG : rot -164:sc= 1.12 USER MOD Set 1.2: A 70 GLN : amide:sc= 0.696 K(o=1.8,f=0.13) USER MOD Set 2.1: A 57 LYS NZ :NH3+ -110:sc= -0.582! (180deg=-3.83!) USER MOD Set 2.2: A 60 SER OG : rot -113:sc= 0.593 USER MOD Set 3.1: A 34 ASN : amide:sc= -2.53! C(o=-1.2!,f=-9.4!) USER MOD Set 3.2: A 35 LYS NZ :NH3+ -140:sc= 1.32 (180deg=-0.512) USER MOD Set 4.1: A 22 THR OG1 : rot 180:sc= 0.631 USER MOD Set 4.2: A 102 THR OG1 : rot 142:sc= 0.673 USER MOD Set 5.1: A 4 THR OG1 : rot 180:sc= 0.375 USER MOD Set 5.2: A 6 LYS NZ :NH3+ 142:sc= 0.462! (180deg=0.401) USER MOD Set 6.1: A 1 GLU N :NH3+ -158:sc= -1.31! (180deg=-3.26!) USER MOD Set 6.2: A 3 TYR OH : rot 33:sc= 0.934 USER MOD Set 6.3: A 24 LYS NZ :NH3+ 160:sc= -1.49! (180deg=-3.51!) USER MOD Set 6.4: A 28 THR OG1 : rot -170:sc= -1.2 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.154 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -156:sc= 1.13 (180deg=0.452) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0439) USER MOD Single : A 33 ASN : amide:sc= -1.43! C(o=-1.4!,f=-2.6!) USER MOD Single : A 40 ASN : amide:sc= -6.4! C(o=-6.4!,f=-9.2!) USER MOD Single : A 48 ASN : amide:sc= 0.679 K(o=0.68,f=-5.6!) USER MOD Single : A 51 LYS NZ :NH3+ -126:sc= 1.6 (180deg=-2.77!) USER MOD Single : A 52 SER OG : rot 66:sc= 1.08 USER MOD Single : A 58 SER OG : rot 150:sc= 0.815 USER MOD Single : A 61 HIS : no HE2:sc= -2.68 K(o=-2.7,f=-8.1!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -1.12! K(o=-1.1!,f=-0.048) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 152:sc= 0.771 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.222 USER MOD Single : A 73 SER OG : rot 180:sc= -0.114 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.342 USER MOD Single : A 85 TYR OH : rot -176:sc= 0.387 USER MOD Single : A 86 THR OG1 : rot -39:sc= -1.23! USER MOD Single : A 88 TYR OH : rot 35:sc= 1.07 USER MOD Single : A 97 MET CE :methyl -111:sc= -1.3 (180deg=-4.34!) USER MOD Single : A 100 LYS NZ :NH3+ -140:sc= -1.41 (180deg=-4.22!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -3.688 -5.302 -16.066 1.00 0.00 N ATOM 2 CA GLU A 1 -3.674 -4.069 -16.897 1.00 0.00 C ATOM 3 C GLU A 1 -3.233 -2.959 -15.946 1.00 0.00 C ATOM 4 O GLU A 1 -3.888 -2.829 -14.943 1.00 0.00 O ATOM 5 CB GLU A 1 -5.103 -3.704 -17.455 1.00 0.00 C ATOM 6 CG GLU A 1 -5.668 -4.764 -18.465 1.00 0.00 C ATOM 7 CD GLU A 1 -5.688 -6.134 -17.869 1.00 0.00 C ATOM 8 OE1 GLU A 1 -4.646 -6.745 -17.916 1.00 0.00 O ATOM 9 OE2 GLU A 1 -6.716 -6.527 -17.364 1.00 0.00 O ATOM 0 H1 GLU A 1 -3.610 -6.137 -16.682 1.00 0.00 H new ATOM 0 H2 GLU A 1 -2.886 -5.284 -15.404 1.00 0.00 H new ATOM 0 H3 GLU A 1 -4.578 -5.349 -15.530 1.00 0.00 H new ATOM 0 HA GLU A 1 -3.021 -4.204 -17.759 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -5.796 -3.604 -16.620 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -5.055 -2.733 -17.948 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -6.678 -4.481 -18.763 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -5.058 -4.768 -19.368 1.00 0.00 H new ATOM 18 N THR A 2 -2.215 -2.193 -16.200 1.00 0.00 N ATOM 19 CA THR A 2 -1.731 -1.065 -15.288 1.00 0.00 C ATOM 20 C THR A 2 -2.848 -0.307 -14.518 1.00 0.00 C ATOM 21 O THR A 2 -3.244 0.798 -14.816 1.00 0.00 O ATOM 22 CB THR A 2 -0.905 -0.047 -16.145 1.00 0.00 C ATOM 23 OG1 THR A 2 -0.833 -0.605 -17.450 1.00 0.00 O ATOM 24 CG2 THR A 2 0.565 -0.128 -15.833 1.00 0.00 C ATOM 0 H THR A 2 -1.653 -2.292 -17.045 1.00 0.00 H new ATOM 0 HA THR A 2 -1.126 -1.541 -14.516 1.00 0.00 H new ATOM 0 HB THR A 2 -1.353 0.936 -15.998 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.325 -0.005 -18.035 1.00 0.00 H new ATOM 0 HG21 THR A 2 1.107 0.592 -16.446 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.726 0.098 -14.779 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.928 -1.133 -16.048 1.00 0.00 H new ATOM 32 N TYR A 3 -3.372 -0.952 -13.512 1.00 0.00 N ATOM 33 CA TYR A 3 -4.457 -0.340 -12.670 1.00 0.00 C ATOM 34 C TYR A 3 -3.912 0.947 -11.977 1.00 0.00 C ATOM 35 O TYR A 3 -3.163 0.903 -11.024 1.00 0.00 O ATOM 36 CB TYR A 3 -4.917 -1.460 -11.670 1.00 0.00 C ATOM 37 CG TYR A 3 -5.323 -2.709 -12.488 1.00 0.00 C ATOM 38 CD1 TYR A 3 -6.364 -2.674 -13.403 1.00 0.00 C ATOM 39 CD2 TYR A 3 -4.630 -3.889 -12.341 1.00 0.00 C ATOM 40 CE1 TYR A 3 -6.692 -3.799 -14.152 1.00 0.00 C ATOM 41 CE2 TYR A 3 -4.965 -5.001 -13.091 1.00 0.00 C ATOM 42 CZ TYR A 3 -5.992 -4.971 -14.003 1.00 0.00 C ATOM 43 OH TYR A 3 -6.291 -6.089 -14.759 1.00 0.00 O ATOM 0 H TYR A 3 -3.095 -1.892 -13.228 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.321 -0.012 -13.248 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -4.111 -1.705 -10.978 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -5.757 -1.111 -11.070 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -6.927 -1.762 -13.536 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -3.817 -3.947 -11.633 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -7.507 -3.750 -14.859 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.406 -5.915 -12.957 1.00 0.00 H new ATOM 0 HH TYR A 3 -6.606 -5.811 -15.644 1.00 0.00 H new ATOM 53 N THR A 4 -4.325 2.050 -12.529 1.00 0.00 N ATOM 54 CA THR A 4 -3.966 3.457 -12.094 1.00 0.00 C ATOM 55 C THR A 4 -4.060 3.958 -10.636 1.00 0.00 C ATOM 56 O THR A 4 -5.002 4.617 -10.256 1.00 0.00 O ATOM 57 CB THR A 4 -4.781 4.486 -12.947 1.00 0.00 C ATOM 58 OG1 THR A 4 -6.162 4.316 -12.625 1.00 0.00 O ATOM 59 CG2 THR A 4 -4.775 4.167 -14.431 1.00 0.00 C ATOM 0 H THR A 4 -4.951 2.043 -13.334 1.00 0.00 H new ATOM 0 HA THR A 4 -2.888 3.387 -12.242 1.00 0.00 H new ATOM 0 HB THR A 4 -4.343 5.463 -12.742 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.699 4.950 -13.144 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.357 4.917 -14.967 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.749 4.172 -14.800 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.214 3.183 -14.593 1.00 0.00 H new ATOM 67 N VAL A 5 -3.104 3.668 -9.813 1.00 0.00 N ATOM 68 CA VAL A 5 -3.135 4.148 -8.383 1.00 0.00 C ATOM 69 C VAL A 5 -2.724 5.648 -8.513 1.00 0.00 C ATOM 70 O VAL A 5 -1.611 5.955 -8.895 1.00 0.00 O ATOM 71 CB VAL A 5 -2.103 3.320 -7.585 1.00 0.00 C ATOM 72 CG1 VAL A 5 -2.133 3.779 -6.141 1.00 0.00 C ATOM 73 CG2 VAL A 5 -2.511 1.842 -7.590 1.00 0.00 C ATOM 0 H VAL A 5 -2.285 3.112 -10.058 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.089 4.041 -7.867 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.118 3.449 -8.032 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.410 3.205 -5.562 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.880 4.838 -6.090 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.131 3.625 -5.731 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.781 1.261 -7.026 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.493 1.734 -7.130 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.549 1.479 -8.617 1.00 0.00 H new ATOM 83 N LYS A 6 -3.607 6.542 -8.188 1.00 0.00 N ATOM 84 CA LYS A 6 -3.370 8.030 -8.282 1.00 0.00 C ATOM 85 C LYS A 6 -2.915 8.685 -6.948 1.00 0.00 C ATOM 86 O LYS A 6 -3.384 9.741 -6.563 1.00 0.00 O ATOM 87 CB LYS A 6 -4.715 8.667 -8.783 1.00 0.00 C ATOM 88 CG LYS A 6 -5.336 7.907 -10.006 1.00 0.00 C ATOM 89 CD LYS A 6 -6.905 8.023 -9.857 1.00 0.00 C ATOM 90 CE LYS A 6 -7.705 6.916 -10.576 1.00 0.00 C ATOM 91 NZ LYS A 6 -7.164 5.599 -10.164 1.00 0.00 N ATOM 0 H LYS A 6 -4.536 6.301 -7.842 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.545 8.212 -8.971 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.434 8.674 -7.964 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.537 9.706 -9.060 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.002 8.346 -10.946 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.023 6.863 -10.013 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.158 8.005 -8.797 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.222 8.991 -10.244 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.762 6.987 -10.321 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.629 7.035 -11.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.945 4.920 -10.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.500 5.255 -10.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.666 5.697 -9.256 1.00 0.00 H new ATOM 105 N LEU A 7 -1.998 8.012 -6.312 1.00 0.00 N ATOM 106 CA LEU A 7 -1.366 8.412 -4.995 1.00 0.00 C ATOM 107 C LEU A 7 -1.827 9.822 -4.454 1.00 0.00 C ATOM 108 O LEU A 7 -1.092 10.795 -4.497 1.00 0.00 O ATOM 109 CB LEU A 7 0.201 8.355 -5.220 1.00 0.00 C ATOM 110 CG LEU A 7 0.653 7.184 -6.161 1.00 0.00 C ATOM 111 CD1 LEU A 7 2.126 7.340 -6.529 1.00 0.00 C ATOM 112 CD2 LEU A 7 0.565 5.877 -5.406 1.00 0.00 C ATOM 0 H LEU A 7 -1.627 7.133 -6.672 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.692 7.722 -4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.534 9.302 -5.645 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.696 8.247 -4.255 1.00 0.00 H new ATOM 0 HG LEU A 7 0.016 7.200 -7.045 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.427 6.521 -7.182 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.274 8.289 -7.045 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.731 7.322 -5.623 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.878 5.060 -6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.216 5.917 -4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.463 5.711 -5.084 1.00 0.00 H new ATOM 124 N GLY A 8 -3.040 9.894 -3.962 1.00 0.00 N ATOM 125 CA GLY A 8 -3.615 11.196 -3.410 1.00 0.00 C ATOM 126 C GLY A 8 -4.944 11.599 -4.068 1.00 0.00 C ATOM 127 O GLY A 8 -5.027 12.600 -4.749 1.00 0.00 O ATOM 0 H GLY A 8 -3.679 9.100 -3.912 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.766 11.092 -2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.889 11.996 -3.554 1.00 0.00 H new ATOM 131 N SER A 9 -5.930 10.785 -3.823 1.00 0.00 N ATOM 132 CA SER A 9 -7.342 10.960 -4.360 1.00 0.00 C ATOM 133 C SER A 9 -7.829 12.334 -4.884 1.00 0.00 C ATOM 134 O SER A 9 -8.142 12.451 -6.053 1.00 0.00 O ATOM 135 CB SER A 9 -8.330 10.486 -3.269 1.00 0.00 C ATOM 136 OG SER A 9 -9.630 10.536 -3.864 1.00 0.00 O ATOM 0 H SER A 9 -5.823 9.954 -3.241 1.00 0.00 H new ATOM 0 HA SER A 9 -7.310 10.369 -5.275 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.091 9.475 -2.939 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.278 11.129 -2.390 1.00 0.00 H new ATOM 0 HG SER A 9 -10.300 10.242 -3.212 1.00 0.00 H new ATOM 142 N ASP A 10 -7.892 13.335 -4.047 1.00 0.00 N ATOM 143 CA ASP A 10 -8.363 14.685 -4.500 1.00 0.00 C ATOM 144 C ASP A 10 -7.248 15.793 -4.526 1.00 0.00 C ATOM 145 O ASP A 10 -6.618 16.034 -5.533 1.00 0.00 O ATOM 146 CB ASP A 10 -9.598 14.929 -3.523 1.00 0.00 C ATOM 147 CG ASP A 10 -9.272 15.156 -2.060 1.00 0.00 C ATOM 148 OD1 ASP A 10 -8.184 14.843 -1.629 1.00 0.00 O ATOM 149 OD2 ASP A 10 -10.174 15.681 -1.444 1.00 0.00 O ATOM 0 H ASP A 10 -7.636 13.279 -3.061 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.653 14.734 -5.550 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.154 15.793 -3.886 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.264 14.069 -3.594 1.00 0.00 H new ATOM 154 N LYS A 11 -7.046 16.458 -3.434 1.00 0.00 N ATOM 155 CA LYS A 11 -6.024 17.536 -3.253 1.00 0.00 C ATOM 156 C LYS A 11 -4.993 17.058 -2.194 1.00 0.00 C ATOM 157 O LYS A 11 -3.808 17.302 -2.294 1.00 0.00 O ATOM 158 CB LYS A 11 -6.709 18.852 -2.743 1.00 0.00 C ATOM 159 CG LYS A 11 -7.734 19.445 -3.768 1.00 0.00 C ATOM 160 CD LYS A 11 -9.169 19.481 -3.135 1.00 0.00 C ATOM 161 CE LYS A 11 -9.612 18.057 -2.922 1.00 0.00 C ATOM 162 NZ LYS A 11 -10.952 18.001 -2.266 1.00 0.00 N ATOM 0 H LYS A 11 -7.590 16.287 -2.588 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.534 17.739 -4.205 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.221 18.648 -1.803 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.941 19.597 -2.533 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.430 20.451 -4.057 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.743 18.841 -4.676 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.156 20.023 -2.189 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.864 20.003 -3.792 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.651 17.538 -3.880 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.880 17.534 -2.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.059 17.092 -1.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.036 18.779 -1.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.696 18.093 -2.987 1.00 0.00 H new ATOM 176 N GLY A 12 -5.530 16.376 -1.209 1.00 0.00 N ATOM 177 CA GLY A 12 -4.704 15.829 -0.057 1.00 0.00 C ATOM 178 C GLY A 12 -5.040 14.440 0.499 1.00 0.00 C ATOM 179 O GLY A 12 -4.321 13.944 1.341 1.00 0.00 O ATOM 0 H GLY A 12 -6.526 16.166 -1.145 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.662 15.813 -0.376 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.774 16.540 0.766 1.00 0.00 H new ATOM 183 N LEU A 13 -6.091 13.806 0.071 1.00 0.00 N ATOM 184 CA LEU A 13 -6.417 12.447 0.617 1.00 0.00 C ATOM 185 C LEU A 13 -5.413 11.400 0.074 1.00 0.00 C ATOM 186 O LEU A 13 -5.633 10.754 -0.933 1.00 0.00 O ATOM 187 CB LEU A 13 -7.887 12.149 0.209 1.00 0.00 C ATOM 188 CG LEU A 13 -8.860 13.073 0.966 1.00 0.00 C ATOM 189 CD1 LEU A 13 -10.245 12.866 0.368 1.00 0.00 C ATOM 190 CD2 LEU A 13 -8.958 12.647 2.440 1.00 0.00 C ATOM 0 H LEU A 13 -6.741 14.161 -0.630 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.328 12.405 1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.007 12.288 -0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.125 11.107 0.424 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.512 14.103 0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.962 13.506 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.225 13.120 -0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.540 11.823 0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.648 13.307 2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.322 11.621 2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.973 12.710 2.903 1.00 0.00 H new ATOM 202 N LEU A 14 -4.316 11.279 0.772 1.00 0.00 N ATOM 203 CA LEU A 14 -3.209 10.317 0.411 1.00 0.00 C ATOM 204 C LEU A 14 -3.505 8.791 0.565 1.00 0.00 C ATOM 205 O LEU A 14 -2.712 8.006 1.044 1.00 0.00 O ATOM 206 CB LEU A 14 -1.973 10.742 1.267 1.00 0.00 C ATOM 207 CG LEU A 14 -1.600 12.234 1.057 1.00 0.00 C ATOM 208 CD1 LEU A 14 -0.297 12.511 1.794 1.00 0.00 C ATOM 209 CD2 LEU A 14 -1.380 12.576 -0.421 1.00 0.00 C ATOM 0 H LEU A 14 -4.126 11.825 1.612 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.050 10.400 -0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.186 10.567 2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.120 10.116 1.006 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.426 12.839 1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.017 13.556 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.429 12.306 2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.490 11.870 1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.121 13.631 -0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.569 11.966 -0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.293 12.375 -0.981 1.00 0.00 H new ATOM 221 N VAL A 15 -4.668 8.438 0.116 1.00 0.00 N ATOM 222 CA VAL A 15 -5.191 7.035 0.137 1.00 0.00 C ATOM 223 C VAL A 15 -5.205 6.573 -1.346 1.00 0.00 C ATOM 224 O VAL A 15 -4.966 7.385 -2.224 1.00 0.00 O ATOM 225 CB VAL A 15 -6.614 7.097 0.781 1.00 0.00 C ATOM 226 CG1 VAL A 15 -7.587 7.931 -0.086 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.222 5.694 0.917 1.00 0.00 C ATOM 0 H VAL A 15 -5.324 9.104 -0.292 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.598 6.328 0.717 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.487 7.557 1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.568 7.955 0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.206 8.948 -0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.673 7.479 -1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.212 5.768 1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.306 5.237 -0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.581 5.079 1.549 1.00 0.00 H new ATOM 237 N PHE A 16 -5.484 5.327 -1.600 1.00 0.00 N ATOM 238 CA PHE A 16 -5.502 4.840 -3.026 1.00 0.00 C ATOM 239 C PHE A 16 -6.894 4.410 -3.587 1.00 0.00 C ATOM 240 O PHE A 16 -7.714 3.781 -2.940 1.00 0.00 O ATOM 241 CB PHE A 16 -4.507 3.675 -3.098 1.00 0.00 C ATOM 242 CG PHE A 16 -3.163 4.035 -2.452 1.00 0.00 C ATOM 243 CD1 PHE A 16 -2.275 4.891 -3.069 1.00 0.00 C ATOM 244 CD2 PHE A 16 -2.824 3.495 -1.232 1.00 0.00 C ATOM 245 CE1 PHE A 16 -1.064 5.196 -2.472 1.00 0.00 C ATOM 246 CE2 PHE A 16 -1.621 3.801 -0.641 1.00 0.00 C ATOM 247 CZ PHE A 16 -0.740 4.647 -1.257 1.00 0.00 C ATOM 0 H PHE A 16 -5.700 4.622 -0.896 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.229 5.681 -3.664 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.930 2.804 -2.597 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.347 3.397 -4.140 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.526 5.326 -4.025 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.509 2.825 -0.735 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.374 5.866 -2.963 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.370 3.370 0.317 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.205 4.881 -0.790 1.00 0.00 H new ATOM 257 N GLU A 17 -7.058 4.781 -4.813 1.00 0.00 N ATOM 258 CA GLU A 17 -8.269 4.553 -5.681 1.00 0.00 C ATOM 259 C GLU A 17 -8.061 3.589 -6.914 1.00 0.00 C ATOM 260 O GLU A 17 -8.164 3.973 -8.072 1.00 0.00 O ATOM 261 CB GLU A 17 -8.752 5.995 -6.133 1.00 0.00 C ATOM 262 CG GLU A 17 -7.586 7.082 -6.058 1.00 0.00 C ATOM 263 CD GLU A 17 -6.279 6.617 -6.658 1.00 0.00 C ATOM 264 OE1 GLU A 17 -6.323 6.054 -7.721 1.00 0.00 O ATOM 265 OE2 GLU A 17 -5.275 6.835 -6.018 1.00 0.00 O ATOM 0 H GLU A 17 -6.327 5.289 -5.311 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.019 4.018 -5.098 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.132 5.944 -7.153 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.581 6.312 -5.500 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.911 7.986 -6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.421 7.352 -5.015 1.00 0.00 H new ATOM 272 N PRO A 18 -7.795 2.328 -6.638 1.00 0.00 N ATOM 273 CA PRO A 18 -8.019 1.619 -5.341 1.00 0.00 C ATOM 274 C PRO A 18 -6.797 1.326 -4.406 1.00 0.00 C ATOM 275 O PRO A 18 -5.640 1.422 -4.758 1.00 0.00 O ATOM 276 CB PRO A 18 -8.721 0.392 -5.872 1.00 0.00 C ATOM 277 CG PRO A 18 -7.799 0.017 -7.092 1.00 0.00 C ATOM 278 CD PRO A 18 -7.248 1.378 -7.632 1.00 0.00 C ATOM 0 HA PRO A 18 -8.560 2.230 -4.618 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.770 -0.407 -5.132 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.745 0.604 -6.180 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.987 -0.640 -6.783 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.362 -0.512 -7.861 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.159 1.397 -7.663 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.599 1.592 -8.641 1.00 0.00 H new ATOM 286 N ALA A 19 -7.140 0.955 -3.202 1.00 0.00 N ATOM 287 CA ALA A 19 -6.169 0.608 -2.118 1.00 0.00 C ATOM 288 C ALA A 19 -6.161 -0.922 -1.841 1.00 0.00 C ATOM 289 O ALA A 19 -5.187 -1.491 -1.398 1.00 0.00 O ATOM 290 CB ALA A 19 -6.593 1.435 -0.880 1.00 0.00 C ATOM 0 H ALA A 19 -8.114 0.874 -2.909 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.145 0.851 -2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.917 1.223 -0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.550 2.497 -1.120 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.611 1.168 -0.595 1.00 0.00 H new ATOM 296 N LYS A 20 -7.289 -1.507 -2.120 1.00 0.00 N ATOM 297 CA LYS A 20 -7.571 -2.976 -1.963 1.00 0.00 C ATOM 298 C LYS A 20 -7.680 -3.543 -3.411 1.00 0.00 C ATOM 299 O LYS A 20 -8.766 -3.544 -3.958 1.00 0.00 O ATOM 300 CB LYS A 20 -8.913 -3.098 -1.188 1.00 0.00 C ATOM 301 CG LYS A 20 -8.783 -2.553 0.260 1.00 0.00 C ATOM 302 CD LYS A 20 -10.149 -1.917 0.718 1.00 0.00 C ATOM 303 CE LYS A 20 -11.368 -2.841 0.566 1.00 0.00 C ATOM 304 NZ LYS A 20 -11.147 -4.021 1.460 1.00 0.00 N ATOM 0 H LYS A 20 -8.092 -0.990 -2.479 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.806 -3.525 -1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.691 -2.548 -1.717 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.224 -4.142 -1.159 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.502 -3.359 0.937 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.990 -1.806 0.307 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.064 -1.619 1.763 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.324 -1.009 0.141 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.284 -2.317 0.840 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.482 -3.160 -0.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.997 -4.620 1.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.336 -4.572 1.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.954 -3.692 2.427 1.00 0.00 H new ATOM 318 N LEU A 21 -6.606 -3.998 -3.996 1.00 0.00 N ATOM 319 CA LEU A 21 -6.685 -4.540 -5.404 1.00 0.00 C ATOM 320 C LEU A 21 -6.476 -6.052 -5.637 1.00 0.00 C ATOM 321 O LEU A 21 -5.359 -6.527 -5.718 1.00 0.00 O ATOM 322 CB LEU A 21 -5.645 -3.798 -6.292 1.00 0.00 C ATOM 323 CG LEU A 21 -6.020 -3.854 -7.838 1.00 0.00 C ATOM 324 CD1 LEU A 21 -4.748 -3.683 -8.659 1.00 0.00 C ATOM 325 CD2 LEU A 21 -6.684 -5.167 -8.338 1.00 0.00 C ATOM 0 H LEU A 21 -5.678 -4.023 -3.573 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.730 -4.365 -5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.576 -2.757 -5.975 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.661 -4.242 -6.143 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.754 -3.058 -7.964 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.992 -3.720 -9.721 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.290 -2.722 -8.425 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.050 -4.485 -8.420 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.893 -5.086 -9.405 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.010 -6.005 -8.163 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.616 -5.332 -7.798 1.00 0.00 H new ATOM 337 N THR A 22 -7.530 -6.804 -5.743 1.00 0.00 N ATOM 338 CA THR A 22 -7.331 -8.278 -5.998 1.00 0.00 C ATOM 339 C THR A 22 -7.093 -8.304 -7.511 1.00 0.00 C ATOM 340 O THR A 22 -7.953 -7.952 -8.294 1.00 0.00 O ATOM 341 CB THR A 22 -8.592 -9.070 -5.649 1.00 0.00 C ATOM 342 OG1 THR A 22 -8.612 -9.113 -4.231 1.00 0.00 O ATOM 343 CG2 THR A 22 -8.454 -10.549 -5.954 1.00 0.00 C ATOM 0 H THR A 22 -8.497 -6.488 -5.669 1.00 0.00 H new ATOM 0 HA THR A 22 -6.529 -8.720 -5.407 1.00 0.00 H new ATOM 0 HB THR A 22 -9.430 -8.617 -6.179 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.402 -9.609 -3.930 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.377 -11.063 -5.687 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.257 -10.684 -7.018 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.628 -10.964 -5.377 1.00 0.00 H new ATOM 351 N ILE A 23 -5.922 -8.719 -7.886 1.00 0.00 N ATOM 352 CA ILE A 23 -5.504 -8.795 -9.320 1.00 0.00 C ATOM 353 C ILE A 23 -5.660 -10.199 -9.863 1.00 0.00 C ATOM 354 O ILE A 23 -6.332 -11.043 -9.304 1.00 0.00 O ATOM 355 CB ILE A 23 -3.989 -8.349 -9.459 1.00 0.00 C ATOM 356 CG1 ILE A 23 -3.217 -8.991 -8.313 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.896 -6.842 -9.354 1.00 0.00 C ATOM 358 CD1 ILE A 23 -1.717 -9.008 -8.599 1.00 0.00 C ATOM 0 H ILE A 23 -5.201 -9.024 -7.232 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.146 -8.127 -9.894 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.579 -8.659 -10.420 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.408 -8.443 -7.390 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.572 -10.010 -8.158 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.855 -6.534 -9.449 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.484 -6.385 -10.150 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.282 -6.520 -8.387 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.193 -9.472 -7.764 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.526 -9.578 -9.509 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.360 -7.986 -8.729 1.00 0.00 H new ATOM 370 N LYS A 24 -5.027 -10.418 -10.970 1.00 0.00 N ATOM 371 CA LYS A 24 -5.102 -11.762 -11.583 1.00 0.00 C ATOM 372 C LYS A 24 -3.878 -12.552 -11.005 1.00 0.00 C ATOM 373 O LYS A 24 -3.304 -12.122 -10.021 1.00 0.00 O ATOM 374 CB LYS A 24 -5.070 -11.513 -13.119 1.00 0.00 C ATOM 375 CG LYS A 24 -6.427 -10.855 -13.526 1.00 0.00 C ATOM 376 CD LYS A 24 -6.178 -9.542 -14.318 1.00 0.00 C ATOM 377 CE LYS A 24 -5.531 -9.790 -15.671 1.00 0.00 C ATOM 378 NZ LYS A 24 -5.367 -8.457 -16.266 1.00 0.00 N ATOM 0 H LYS A 24 -4.465 -9.732 -11.474 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.993 -12.352 -11.370 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.236 -10.863 -13.383 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.925 -12.451 -13.655 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.007 -11.549 -14.134 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.017 -10.643 -12.634 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.126 -9.024 -14.462 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.540 -8.882 -13.730 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.571 -10.294 -15.562 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.157 -10.427 -16.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.646 -8.497 -17.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.272 -8.145 -16.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.066 -7.784 -15.532 1.00 0.00 H new ATOM 392 N PRO A 25 -3.491 -13.668 -11.557 1.00 0.00 N ATOM 393 CA PRO A 25 -2.056 -14.114 -11.546 1.00 0.00 C ATOM 394 C PRO A 25 -0.922 -13.047 -11.767 1.00 0.00 C ATOM 395 O PRO A 25 -0.142 -13.146 -12.693 1.00 0.00 O ATOM 396 CB PRO A 25 -2.085 -15.270 -12.600 1.00 0.00 C ATOM 397 CG PRO A 25 -3.418 -15.052 -13.377 1.00 0.00 C ATOM 398 CD PRO A 25 -4.366 -14.645 -12.259 1.00 0.00 C ATOM 0 HA PRO A 25 -1.747 -14.403 -10.541 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.224 -15.222 -13.267 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.061 -16.248 -12.118 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.326 -14.277 -14.138 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.749 -15.958 -13.884 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.287 -14.195 -12.630 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.654 -15.484 -11.625 1.00 0.00 H new ATOM 406 N GLY A 26 -0.843 -12.030 -10.943 1.00 0.00 N ATOM 407 CA GLY A 26 0.233 -10.973 -11.094 1.00 0.00 C ATOM 408 C GLY A 26 -0.137 -9.708 -11.875 1.00 0.00 C ATOM 409 O GLY A 26 -0.293 -8.643 -11.317 1.00 0.00 O ATOM 0 H GLY A 26 -1.480 -11.877 -10.161 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.555 -10.673 -10.097 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.093 -11.433 -11.582 1.00 0.00 H new ATOM 413 N ASP A 27 -0.267 -9.895 -13.151 1.00 0.00 N ATOM 414 CA ASP A 27 -0.623 -8.793 -14.110 1.00 0.00 C ATOM 415 C ASP A 27 0.129 -7.391 -13.952 1.00 0.00 C ATOM 416 O ASP A 27 1.221 -7.302 -13.417 1.00 0.00 O ATOM 417 CB ASP A 27 -2.166 -8.740 -13.942 1.00 0.00 C ATOM 418 CG ASP A 27 -2.833 -7.882 -14.949 1.00 0.00 C ATOM 419 OD1 ASP A 27 -2.367 -7.735 -16.050 1.00 0.00 O ATOM 420 OD2 ASP A 27 -3.849 -7.365 -14.596 1.00 0.00 O ATOM 0 H ASP A 27 -0.138 -10.802 -13.599 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.280 -9.006 -15.122 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.568 -9.751 -14.012 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.404 -8.371 -12.944 1.00 0.00 H new ATOM 425 N THR A 28 -0.481 -6.340 -14.451 1.00 0.00 N ATOM 426 CA THR A 28 0.048 -4.921 -14.410 1.00 0.00 C ATOM 427 C THR A 28 -0.691 -3.888 -13.552 1.00 0.00 C ATOM 428 O THR A 28 -1.892 -3.734 -13.568 1.00 0.00 O ATOM 429 CB THR A 28 0.088 -4.252 -15.808 1.00 0.00 C ATOM 430 OG1 THR A 28 -0.980 -4.817 -16.552 1.00 0.00 O ATOM 431 CG2 THR A 28 1.331 -4.546 -16.588 1.00 0.00 C ATOM 0 H THR A 28 -1.386 -6.409 -14.917 1.00 0.00 H new ATOM 0 HA THR A 28 1.021 -5.125 -13.964 1.00 0.00 H new ATOM 0 HB THR A 28 0.033 -3.174 -15.657 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.904 -4.546 -17.491 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.282 -4.042 -17.553 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.200 -4.189 -16.036 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.417 -5.621 -16.744 1.00 0.00 H new ATOM 439 N VAL A 29 0.087 -3.175 -12.805 1.00 0.00 N ATOM 440 CA VAL A 29 -0.379 -2.095 -11.886 1.00 0.00 C ATOM 441 C VAL A 29 0.274 -0.738 -12.226 1.00 0.00 C ATOM 442 O VAL A 29 1.449 -0.720 -12.551 1.00 0.00 O ATOM 443 CB VAL A 29 -0.013 -2.498 -10.454 1.00 0.00 C ATOM 444 CG1 VAL A 29 -0.603 -1.484 -9.447 1.00 0.00 C ATOM 445 CG2 VAL A 29 -0.636 -3.851 -10.136 1.00 0.00 C ATOM 0 H VAL A 29 1.099 -3.303 -12.790 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.457 -1.976 -11.995 1.00 0.00 H new ATOM 0 HB VAL A 29 1.074 -2.530 -10.375 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.336 -1.781 -8.433 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.201 -0.492 -9.652 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.688 -1.463 -9.545 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.377 -4.140 -9.117 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.720 -3.784 -10.230 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.257 -4.599 -10.833 1.00 0.00 H new ATOM 455 N GLU A 30 -0.441 0.346 -12.151 1.00 0.00 N ATOM 456 CA GLU A 30 0.172 1.662 -12.471 1.00 0.00 C ATOM 457 C GLU A 30 0.269 2.594 -11.261 1.00 0.00 C ATOM 458 O GLU A 30 -0.669 2.734 -10.510 1.00 0.00 O ATOM 459 CB GLU A 30 -0.670 2.281 -13.567 1.00 0.00 C ATOM 460 CG GLU A 30 -0.106 3.690 -13.955 1.00 0.00 C ATOM 461 CD GLU A 30 -0.775 4.284 -15.191 1.00 0.00 C ATOM 462 OE1 GLU A 30 -1.649 3.658 -15.754 1.00 0.00 O ATOM 463 OE2 GLU A 30 -0.328 5.371 -15.485 1.00 0.00 O ATOM 0 H GLU A 30 -1.424 0.378 -11.882 1.00 0.00 H new ATOM 0 HA GLU A 30 1.203 1.511 -12.792 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.676 1.631 -14.442 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.703 2.375 -13.232 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.239 4.372 -13.115 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.966 3.609 -14.133 1.00 0.00 H new ATOM 470 N PHE A 31 1.395 3.212 -11.085 1.00 0.00 N ATOM 471 CA PHE A 31 1.575 4.152 -9.925 1.00 0.00 C ATOM 472 C PHE A 31 1.770 5.618 -10.411 1.00 0.00 C ATOM 473 O PHE A 31 2.791 5.947 -10.982 1.00 0.00 O ATOM 474 CB PHE A 31 2.792 3.658 -9.098 1.00 0.00 C ATOM 475 CG PHE A 31 2.523 2.295 -8.435 1.00 0.00 C ATOM 476 CD1 PHE A 31 2.532 1.125 -9.165 1.00 0.00 C ATOM 477 CD2 PHE A 31 2.266 2.226 -7.080 1.00 0.00 C ATOM 478 CE1 PHE A 31 2.289 -0.088 -8.554 1.00 0.00 C ATOM 479 CE2 PHE A 31 2.021 1.014 -6.464 1.00 0.00 C ATOM 480 CZ PHE A 31 2.034 -0.146 -7.202 1.00 0.00 C ATOM 0 H PHE A 31 2.210 3.114 -11.691 1.00 0.00 H new ATOM 0 HA PHE A 31 0.681 4.154 -9.301 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.664 3.580 -9.747 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.031 4.394 -8.330 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.731 1.159 -10.226 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.256 3.133 -6.493 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.299 -0.996 -9.139 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.819 0.978 -5.404 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.845 -1.096 -6.725 1.00 0.00 H new ATOM 490 N LEU A 32 0.780 6.434 -10.179 1.00 0.00 N ATOM 491 CA LEU A 32 0.731 7.886 -10.551 1.00 0.00 C ATOM 492 C LEU A 32 0.732 8.879 -9.345 1.00 0.00 C ATOM 493 O LEU A 32 -0.230 8.942 -8.603 1.00 0.00 O ATOM 494 CB LEU A 32 -0.550 8.043 -11.410 1.00 0.00 C ATOM 495 CG LEU A 32 -0.854 9.517 -11.753 1.00 0.00 C ATOM 496 CD1 LEU A 32 0.286 10.144 -12.558 1.00 0.00 C ATOM 497 CD2 LEU A 32 -2.084 9.523 -12.650 1.00 0.00 C ATOM 0 H LEU A 32 -0.070 6.126 -9.706 1.00 0.00 H new ATOM 0 HA LEU A 32 1.642 8.152 -11.087 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.437 7.474 -12.333 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.398 7.616 -10.874 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.993 10.077 -10.828 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.043 11.182 -12.785 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.207 10.105 -11.976 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.421 9.592 -13.488 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.335 10.550 -12.917 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.877 8.953 -13.555 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.923 9.071 -12.120 1.00 0.00 H new ATOM 509 N ASN A 33 1.768 9.646 -9.144 1.00 0.00 N ATOM 510 CA ASN A 33 1.756 10.600 -7.972 1.00 0.00 C ATOM 511 C ASN A 33 0.946 11.916 -8.118 1.00 0.00 C ATOM 512 O ASN A 33 1.472 13.013 -8.146 1.00 0.00 O ATOM 513 CB ASN A 33 3.216 10.919 -7.628 1.00 0.00 C ATOM 514 CG ASN A 33 3.983 11.345 -8.822 1.00 0.00 C ATOM 515 OD1 ASN A 33 4.383 10.557 -9.635 1.00 0.00 O ATOM 516 ND2 ASN A 33 4.229 12.583 -8.996 1.00 0.00 N ATOM 0 H ASN A 33 2.610 9.663 -9.720 1.00 0.00 H new ATOM 0 HA ASN A 33 1.218 10.079 -7.180 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.248 11.707 -6.875 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.686 10.039 -7.189 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.757 12.888 -9.814 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.898 13.269 -8.317 1.00 0.00 H new ATOM 523 N ASN A 34 -0.337 11.721 -8.211 1.00 0.00 N ATOM 524 CA ASN A 34 -1.344 12.827 -8.353 1.00 0.00 C ATOM 525 C ASN A 34 -1.040 14.093 -7.483 1.00 0.00 C ATOM 526 O ASN A 34 -1.056 15.204 -7.977 1.00 0.00 O ATOM 527 CB ASN A 34 -2.687 12.127 -8.022 1.00 0.00 C ATOM 528 CG ASN A 34 -3.904 13.003 -8.164 1.00 0.00 C ATOM 529 OD1 ASN A 34 -3.973 13.930 -8.943 1.00 0.00 O ATOM 530 ND2 ASN A 34 -4.917 12.749 -7.420 1.00 0.00 N ATOM 0 H ASN A 34 -0.757 10.792 -8.194 1.00 0.00 H new ATOM 0 HA ASN A 34 -1.342 13.265 -9.351 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.801 11.262 -8.675 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.643 11.752 -7.000 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -5.758 13.322 -7.491 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.882 11.974 -6.757 1.00 0.00 H new ATOM 537 N LYS A 35 -0.800 13.909 -6.212 1.00 0.00 N ATOM 538 CA LYS A 35 -0.483 15.054 -5.272 1.00 0.00 C ATOM 539 C LYS A 35 0.728 14.728 -4.357 1.00 0.00 C ATOM 540 O LYS A 35 1.408 13.753 -4.587 1.00 0.00 O ATOM 541 CB LYS A 35 -1.764 15.377 -4.413 1.00 0.00 C ATOM 542 CG LYS A 35 -2.732 16.265 -5.243 1.00 0.00 C ATOM 543 CD LYS A 35 -3.732 15.343 -5.968 1.00 0.00 C ATOM 544 CE LYS A 35 -4.506 16.048 -7.075 1.00 0.00 C ATOM 545 NZ LYS A 35 -3.549 16.348 -8.177 1.00 0.00 N ATOM 0 H LYS A 35 -0.808 12.993 -5.763 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.205 15.927 -5.862 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.262 14.452 -4.120 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.479 15.890 -3.494 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.261 16.962 -4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.175 16.863 -5.964 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.193 14.496 -6.393 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.437 14.940 -5.241 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.318 15.417 -7.435 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.958 16.966 -6.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.751 17.292 -8.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.577 16.326 -7.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.650 15.636 -8.928 1.00 0.00 H new ATOM 559 N VAL A 36 0.971 15.537 -3.360 1.00 0.00 N ATOM 560 CA VAL A 36 2.119 15.353 -2.374 1.00 0.00 C ATOM 561 C VAL A 36 3.109 14.151 -2.606 1.00 0.00 C ATOM 562 O VAL A 36 3.001 13.110 -1.985 1.00 0.00 O ATOM 563 CB VAL A 36 1.482 15.253 -0.947 1.00 0.00 C ATOM 564 CG1 VAL A 36 2.587 15.269 0.130 1.00 0.00 C ATOM 565 CG2 VAL A 36 0.568 16.458 -0.659 1.00 0.00 C ATOM 0 H VAL A 36 0.402 16.361 -3.167 1.00 0.00 H new ATOM 0 HA VAL A 36 2.768 16.217 -2.517 1.00 0.00 H new ATOM 0 HB VAL A 36 0.909 14.326 -0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.133 15.199 1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.256 14.422 -0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.154 16.197 0.056 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.140 16.360 0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.150 17.378 -0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.234 16.490 -1.396 1.00 0.00 H new ATOM 575 N PRO A 37 4.047 14.306 -3.514 1.00 0.00 N ATOM 576 CA PRO A 37 5.333 13.534 -3.462 1.00 0.00 C ATOM 577 C PRO A 37 6.089 13.577 -2.083 1.00 0.00 C ATOM 578 O PRO A 37 5.691 14.263 -1.163 1.00 0.00 O ATOM 579 CB PRO A 37 6.119 14.136 -4.662 1.00 0.00 C ATOM 580 CG PRO A 37 5.471 15.538 -4.848 1.00 0.00 C ATOM 581 CD PRO A 37 3.981 15.237 -4.672 1.00 0.00 C ATOM 0 HA PRO A 37 5.184 12.457 -3.544 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.185 14.211 -4.447 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.016 13.524 -5.558 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.831 16.253 -4.109 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.687 15.959 -5.830 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.397 16.132 -4.456 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.541 14.774 -5.555 1.00 0.00 H new ATOM 589 N PRO A 38 7.164 12.830 -1.953 1.00 0.00 N ATOM 590 CA PRO A 38 7.618 11.763 -2.898 1.00 0.00 C ATOM 591 C PRO A 38 6.965 10.393 -2.565 1.00 0.00 C ATOM 592 O PRO A 38 7.104 9.839 -1.491 1.00 0.00 O ATOM 593 CB PRO A 38 9.123 11.824 -2.723 1.00 0.00 C ATOM 594 CG PRO A 38 9.248 12.009 -1.179 1.00 0.00 C ATOM 595 CD PRO A 38 8.101 12.989 -0.805 1.00 0.00 C ATOM 0 HA PRO A 38 7.327 11.902 -3.939 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.614 10.914 -3.068 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.567 12.654 -3.273 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.143 11.058 -0.656 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.222 12.416 -0.906 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.632 12.724 0.143 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.457 14.015 -0.709 1.00 0.00 H new ATOM 603 N HIS A 39 6.263 9.829 -3.508 1.00 0.00 N ATOM 604 CA HIS A 39 5.606 8.501 -3.206 1.00 0.00 C ATOM 605 C HIS A 39 6.518 7.291 -3.393 1.00 0.00 C ATOM 606 O HIS A 39 6.536 6.530 -4.342 1.00 0.00 O ATOM 607 CB HIS A 39 4.378 8.342 -4.077 1.00 0.00 C ATOM 608 CG HIS A 39 3.411 9.459 -3.754 1.00 0.00 C ATOM 609 ND1 HIS A 39 2.528 9.442 -2.760 1.00 0.00 N ATOM 610 CD2 HIS A 39 3.341 10.618 -4.468 1.00 0.00 C ATOM 611 CE1 HIS A 39 1.925 10.612 -2.900 1.00 0.00 C ATOM 612 NE2 HIS A 39 2.406 11.273 -3.885 1.00 0.00 N ATOM 0 H HIS A 39 6.112 10.203 -4.445 1.00 0.00 H new ATOM 0 HA HIS A 39 5.346 8.524 -2.148 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.655 8.374 -5.131 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.911 7.373 -3.899 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.933 10.914 -5.322 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.127 10.965 -2.263 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.087 12.199 -4.169 1.00 0.00 H new ATOM 620 N ASN A 40 7.271 7.207 -2.352 1.00 0.00 N ATOM 621 CA ASN A 40 8.301 6.189 -2.105 1.00 0.00 C ATOM 622 C ASN A 40 7.539 4.936 -1.634 1.00 0.00 C ATOM 623 O ASN A 40 7.730 4.473 -0.533 1.00 0.00 O ATOM 624 CB ASN A 40 9.182 6.969 -1.096 1.00 0.00 C ATOM 625 CG ASN A 40 10.071 6.213 -0.156 1.00 0.00 C ATOM 626 OD1 ASN A 40 10.698 6.853 0.648 1.00 0.00 O ATOM 627 ND2 ASN A 40 10.202 4.945 -0.160 1.00 0.00 N ATOM 0 H ASN A 40 7.200 7.877 -1.586 1.00 0.00 H new ATOM 0 HA ASN A 40 8.935 5.802 -2.902 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.814 7.647 -1.670 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.518 7.587 -0.492 1.00 0.00 H new ATOM 0 HD21 ASN A 40 10.827 4.495 0.508 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.681 4.381 -0.832 1.00 0.00 H new ATOM 634 N VAL A 41 6.677 4.411 -2.468 1.00 0.00 N ATOM 635 CA VAL A 41 5.942 3.193 -2.003 1.00 0.00 C ATOM 636 C VAL A 41 6.832 1.981 -2.192 1.00 0.00 C ATOM 637 O VAL A 41 7.139 1.549 -3.287 1.00 0.00 O ATOM 638 CB VAL A 41 4.614 2.936 -2.783 1.00 0.00 C ATOM 639 CG1 VAL A 41 3.576 3.985 -2.395 1.00 0.00 C ATOM 640 CG2 VAL A 41 4.767 3.046 -4.306 1.00 0.00 C ATOM 0 H VAL A 41 6.456 4.750 -3.404 1.00 0.00 H new ATOM 0 HA VAL A 41 5.687 3.361 -0.957 1.00 0.00 H new ATOM 0 HB VAL A 41 4.317 1.921 -2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.651 3.801 -2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.382 3.926 -1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.952 4.978 -2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.806 2.856 -4.783 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.109 4.048 -4.566 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.495 2.313 -4.652 1.00 0.00 H new ATOM 650 N VAL A 42 7.229 1.476 -1.074 1.00 0.00 N ATOM 651 CA VAL A 42 8.111 0.283 -1.026 1.00 0.00 C ATOM 652 C VAL A 42 7.197 -0.952 -0.820 1.00 0.00 C ATOM 653 O VAL A 42 6.143 -0.841 -0.228 1.00 0.00 O ATOM 654 CB VAL A 42 9.075 0.545 0.130 1.00 0.00 C ATOM 655 CG1 VAL A 42 10.097 -0.562 0.250 1.00 0.00 C ATOM 656 CG2 VAL A 42 9.832 1.863 -0.116 1.00 0.00 C ATOM 0 H VAL A 42 6.974 1.848 -0.159 1.00 0.00 H new ATOM 0 HA VAL A 42 8.693 0.095 -1.928 1.00 0.00 H new ATOM 0 HB VAL A 42 8.487 0.597 1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.769 -0.348 1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.588 -1.509 0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.672 -0.628 -0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.519 2.048 0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.395 1.791 -1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.119 2.685 -0.186 1.00 0.00 H new ATOM 666 N PHE A 43 7.588 -2.094 -1.309 1.00 0.00 N ATOM 667 CA PHE A 43 6.746 -3.312 -1.137 1.00 0.00 C ATOM 668 C PHE A 43 7.111 -4.045 0.167 1.00 0.00 C ATOM 669 O PHE A 43 8.206 -3.901 0.674 1.00 0.00 O ATOM 670 CB PHE A 43 6.933 -4.265 -2.365 1.00 0.00 C ATOM 671 CG PHE A 43 5.638 -4.224 -3.170 1.00 0.00 C ATOM 672 CD1 PHE A 43 5.175 -3.062 -3.754 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.907 -5.376 -3.305 1.00 0.00 C ATOM 674 CE1 PHE A 43 3.998 -3.057 -4.458 1.00 0.00 C ATOM 675 CE2 PHE A 43 3.731 -5.374 -4.006 1.00 0.00 C ATOM 676 CZ PHE A 43 3.270 -4.215 -4.587 1.00 0.00 C ATOM 0 H PHE A 43 8.457 -2.238 -1.823 1.00 0.00 H new ATOM 0 HA PHE A 43 5.701 -3.008 -1.077 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.776 -3.944 -2.976 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.148 -5.281 -2.034 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.744 -2.149 -3.656 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.261 -6.292 -2.855 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.643 -2.143 -4.911 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.162 -6.287 -4.103 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.343 -4.216 -5.140 1.00 0.00 H new ATOM 686 N ASP A 44 6.203 -4.804 0.697 1.00 0.00 N ATOM 687 CA ASP A 44 6.510 -5.538 1.967 1.00 0.00 C ATOM 688 C ASP A 44 7.132 -6.986 1.895 1.00 0.00 C ATOM 689 O ASP A 44 7.007 -7.765 0.963 1.00 0.00 O ATOM 690 CB ASP A 44 5.148 -5.495 2.742 1.00 0.00 C ATOM 691 CG ASP A 44 4.547 -6.866 2.845 1.00 0.00 C ATOM 692 OD1 ASP A 44 5.027 -7.563 3.715 1.00 0.00 O ATOM 693 OD2 ASP A 44 3.670 -7.134 2.058 1.00 0.00 O ATOM 0 H ASP A 44 5.268 -4.953 0.318 1.00 0.00 H new ATOM 0 HA ASP A 44 7.348 -5.044 2.459 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.306 -5.087 3.740 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.455 -4.827 2.230 1.00 0.00 H new ATOM 698 N ALA A 45 7.813 -7.243 2.978 1.00 0.00 N ATOM 699 CA ALA A 45 8.533 -8.509 3.267 1.00 0.00 C ATOM 700 C ALA A 45 8.003 -9.309 4.508 1.00 0.00 C ATOM 701 O ALA A 45 8.481 -10.386 4.796 1.00 0.00 O ATOM 702 CB ALA A 45 10.004 -8.109 3.450 1.00 0.00 C ATOM 0 H ALA A 45 7.901 -6.563 3.733 1.00 0.00 H new ATOM 0 HA ALA A 45 8.377 -9.204 2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.598 -8.997 3.667 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.370 -7.642 2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.089 -7.404 4.277 1.00 0.00 H new ATOM 708 N ALA A 46 7.038 -8.778 5.204 1.00 0.00 N ATOM 709 CA ALA A 46 6.460 -9.448 6.430 1.00 0.00 C ATOM 710 C ALA A 46 4.993 -9.945 6.268 1.00 0.00 C ATOM 711 O ALA A 46 4.612 -11.054 6.611 1.00 0.00 O ATOM 712 CB ALA A 46 6.609 -8.399 7.561 1.00 0.00 C ATOM 0 H ALA A 46 6.606 -7.882 4.977 1.00 0.00 H new ATOM 0 HA ALA A 46 6.995 -10.373 6.644 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.212 -8.807 8.490 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.663 -8.154 7.693 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.057 -7.497 7.296 1.00 0.00 H new ATOM 718 N LEU A 47 4.188 -9.093 5.726 1.00 0.00 N ATOM 719 CA LEU A 47 2.744 -9.401 5.495 1.00 0.00 C ATOM 720 C LEU A 47 2.636 -10.482 4.422 1.00 0.00 C ATOM 721 O LEU A 47 1.967 -11.495 4.516 1.00 0.00 O ATOM 722 CB LEU A 47 2.060 -8.069 5.072 1.00 0.00 C ATOM 723 CG LEU A 47 2.379 -6.931 6.069 1.00 0.00 C ATOM 724 CD1 LEU A 47 1.806 -5.648 5.502 1.00 0.00 C ATOM 725 CD2 LEU A 47 1.717 -7.188 7.421 1.00 0.00 C ATOM 0 H LEU A 47 4.471 -8.162 5.420 1.00 0.00 H new ATOM 0 HA LEU A 47 2.248 -9.786 6.386 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.396 -7.786 4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.981 -8.214 5.016 1.00 0.00 H new ATOM 0 HG LEU A 47 3.458 -6.870 6.211 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.015 -4.824 6.184 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.262 -5.442 4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.728 -5.754 5.380 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.957 -6.373 8.104 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.636 -7.247 7.292 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.085 -8.128 7.833 1.00 0.00 H new ATOM 737 N ASN A 48 3.400 -10.132 3.459 1.00 0.00 N ATOM 738 CA ASN A 48 3.642 -10.847 2.170 1.00 0.00 C ATOM 739 C ASN A 48 3.356 -12.383 2.252 1.00 0.00 C ATOM 740 O ASN A 48 3.904 -13.002 3.147 1.00 0.00 O ATOM 741 CB ASN A 48 5.105 -10.486 1.852 1.00 0.00 C ATOM 742 CG ASN A 48 5.596 -11.061 0.553 1.00 0.00 C ATOM 743 OD1 ASN A 48 5.399 -12.203 0.202 1.00 0.00 O ATOM 744 ND2 ASN A 48 6.271 -10.297 -0.222 1.00 0.00 N ATOM 0 H ASN A 48 3.940 -9.268 3.512 1.00 0.00 H new ATOM 0 HA ASN A 48 2.962 -10.545 1.373 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.205 -9.401 1.821 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.743 -10.841 2.661 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.627 -10.655 -1.108 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.453 -9.330 0.047 1.00 0.00 H new ATOM 751 N PRO A 49 2.562 -12.995 1.396 1.00 0.00 N ATOM 752 CA PRO A 49 2.325 -14.482 1.450 1.00 0.00 C ATOM 753 C PRO A 49 3.613 -15.290 1.735 1.00 0.00 C ATOM 754 O PRO A 49 3.638 -16.177 2.567 1.00 0.00 O ATOM 755 CB PRO A 49 1.653 -14.777 0.082 1.00 0.00 C ATOM 756 CG PRO A 49 1.963 -13.515 -0.752 1.00 0.00 C ATOM 757 CD PRO A 49 1.830 -12.377 0.258 1.00 0.00 C ATOM 0 HA PRO A 49 1.693 -14.794 2.282 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.063 -15.675 -0.381 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.580 -14.934 0.188 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.964 -13.554 -1.182 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.264 -13.400 -1.580 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.290 -11.451 -0.087 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.792 -12.146 0.499 1.00 0.00 H new ATOM 765 N ALA A 50 4.659 -14.940 1.039 1.00 0.00 N ATOM 766 CA ALA A 50 5.980 -15.629 1.200 1.00 0.00 C ATOM 767 C ALA A 50 7.093 -14.749 1.846 1.00 0.00 C ATOM 768 O ALA A 50 8.245 -14.860 1.490 1.00 0.00 O ATOM 769 CB ALA A 50 6.357 -16.097 -0.218 1.00 0.00 C ATOM 0 H ALA A 50 4.658 -14.189 0.349 1.00 0.00 H new ATOM 0 HA ALA A 50 5.891 -16.456 1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.316 -16.613 -0.188 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.591 -16.776 -0.593 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.431 -15.233 -0.879 1.00 0.00 H new ATOM 775 N LYS A 51 6.707 -13.909 2.769 1.00 0.00 N ATOM 776 CA LYS A 51 7.640 -12.974 3.515 1.00 0.00 C ATOM 777 C LYS A 51 9.153 -12.929 3.130 1.00 0.00 C ATOM 778 O LYS A 51 10.046 -13.141 3.926 1.00 0.00 O ATOM 779 CB LYS A 51 7.515 -13.303 5.021 1.00 0.00 C ATOM 780 CG LYS A 51 6.090 -13.158 5.518 1.00 0.00 C ATOM 781 CD LYS A 51 5.477 -14.550 5.880 1.00 0.00 C ATOM 782 CE LYS A 51 4.058 -14.679 5.365 1.00 0.00 C ATOM 783 NZ LYS A 51 3.318 -13.418 5.689 1.00 0.00 N ATOM 0 H LYS A 51 5.733 -13.820 3.059 1.00 0.00 H new ATOM 0 HA LYS A 51 7.301 -11.980 3.223 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.859 -14.322 5.199 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.167 -12.642 5.592 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.071 -12.510 6.394 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.481 -12.677 4.752 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.093 -15.342 5.455 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.487 -14.684 6.962 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.060 -14.851 4.289 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.565 -15.536 5.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.449 -13.650 6.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.919 -12.803 6.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.071 -12.924 4.808 1.00 0.00 H new ATOM 797 N SER A 52 9.401 -12.639 1.886 1.00 0.00 N ATOM 798 CA SER A 52 10.831 -12.563 1.396 1.00 0.00 C ATOM 799 C SER A 52 11.324 -11.129 1.201 1.00 0.00 C ATOM 800 O SER A 52 10.649 -10.291 0.631 1.00 0.00 O ATOM 801 CB SER A 52 10.967 -13.307 0.056 1.00 0.00 C ATOM 802 OG SER A 52 10.828 -14.666 0.444 1.00 0.00 O ATOM 0 H SER A 52 8.690 -12.450 1.180 1.00 0.00 H new ATOM 0 HA SER A 52 11.443 -13.026 2.170 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.197 -13.007 -0.655 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.930 -13.117 -0.418 1.00 0.00 H new ATOM 0 HG SER A 52 9.921 -14.819 0.781 1.00 0.00 H new ATOM 808 N ALA A 53 12.515 -10.868 1.661 1.00 0.00 N ATOM 809 CA ALA A 53 13.117 -9.499 1.538 1.00 0.00 C ATOM 810 C ALA A 53 13.740 -9.238 0.134 1.00 0.00 C ATOM 811 O ALA A 53 14.813 -8.691 -0.010 1.00 0.00 O ATOM 812 CB ALA A 53 14.148 -9.416 2.691 1.00 0.00 C ATOM 0 H ALA A 53 13.111 -11.553 2.126 1.00 0.00 H new ATOM 0 HA ALA A 53 12.364 -8.715 1.623 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.636 -8.442 2.673 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.638 -9.549 3.645 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.896 -10.199 2.567 1.00 0.00 H new ATOM 818 N ASP A 54 12.983 -9.657 -0.836 1.00 0.00 N ATOM 819 CA ASP A 54 13.309 -9.542 -2.276 1.00 0.00 C ATOM 820 C ASP A 54 12.257 -8.588 -2.912 1.00 0.00 C ATOM 821 O ASP A 54 12.396 -7.379 -2.860 1.00 0.00 O ATOM 822 CB ASP A 54 13.259 -10.998 -2.815 1.00 0.00 C ATOM 823 CG ASP A 54 13.241 -11.042 -4.332 1.00 0.00 C ATOM 824 OD1 ASP A 54 13.601 -10.054 -4.940 1.00 0.00 O ATOM 825 OD2 ASP A 54 12.845 -12.092 -4.778 1.00 0.00 O ATOM 0 H ASP A 54 12.084 -10.108 -0.669 1.00 0.00 H new ATOM 0 HA ASP A 54 14.287 -9.119 -2.504 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.123 -11.551 -2.446 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.371 -11.498 -2.427 1.00 0.00 H new ATOM 830 N LEU A 55 11.232 -9.164 -3.497 1.00 0.00 N ATOM 831 CA LEU A 55 10.109 -8.393 -4.151 1.00 0.00 C ATOM 832 C LEU A 55 9.886 -7.048 -3.406 1.00 0.00 C ATOM 833 O LEU A 55 9.750 -5.996 -4.007 1.00 0.00 O ATOM 834 CB LEU A 55 8.847 -9.302 -4.118 1.00 0.00 C ATOM 835 CG LEU A 55 7.835 -8.817 -5.177 1.00 0.00 C ATOM 836 CD1 LEU A 55 8.361 -9.177 -6.582 1.00 0.00 C ATOM 837 CD2 LEU A 55 6.525 -9.566 -4.986 1.00 0.00 C ATOM 0 H LEU A 55 11.119 -10.176 -3.553 1.00 0.00 H new ATOM 0 HA LEU A 55 10.343 -8.140 -5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.126 -10.337 -4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.393 -9.276 -3.127 1.00 0.00 H new ATOM 0 HG LEU A 55 7.695 -7.741 -5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.650 -8.837 -7.335 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.323 -8.691 -6.746 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.482 -10.257 -6.659 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.802 -9.231 -5.730 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.697 -10.636 -5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.136 -9.369 -3.987 1.00 0.00 H new ATOM 849 N ALA A 56 9.854 -7.164 -2.096 1.00 0.00 N ATOM 850 CA ALA A 56 9.671 -6.010 -1.144 1.00 0.00 C ATOM 851 C ALA A 56 10.245 -4.715 -1.778 1.00 0.00 C ATOM 852 O ALA A 56 9.674 -3.647 -1.801 1.00 0.00 O ATOM 853 CB ALA A 56 10.387 -6.431 0.153 1.00 0.00 C ATOM 0 H ALA A 56 9.953 -8.062 -1.622 1.00 0.00 H new ATOM 0 HA ALA A 56 8.626 -5.786 -0.928 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.295 -5.637 0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.932 -7.343 0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.441 -6.612 -0.056 1.00 0.00 H new ATOM 859 N LYS A 57 11.418 -4.845 -2.318 1.00 0.00 N ATOM 860 CA LYS A 57 12.110 -3.704 -2.983 1.00 0.00 C ATOM 861 C LYS A 57 12.284 -4.023 -4.471 1.00 0.00 C ATOM 862 O LYS A 57 12.072 -3.126 -5.260 1.00 0.00 O ATOM 863 CB LYS A 57 13.478 -3.475 -2.283 1.00 0.00 C ATOM 864 CG LYS A 57 14.359 -2.433 -3.063 1.00 0.00 C ATOM 865 CD LYS A 57 14.011 -0.931 -2.759 1.00 0.00 C ATOM 866 CE LYS A 57 12.555 -0.490 -2.949 1.00 0.00 C ATOM 867 NZ LYS A 57 12.093 -0.802 -4.332 1.00 0.00 N ATOM 0 H LYS A 57 11.944 -5.719 -2.328 1.00 0.00 H new ATOM 0 HA LYS A 57 11.523 -2.789 -2.900 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.312 -3.123 -1.265 1.00 0.00 H new ATOM 0 HB3 LYS A 57 14.013 -4.422 -2.209 1.00 0.00 H new ATOM 0 HG2 LYS A 57 15.407 -2.607 -2.819 1.00 0.00 H new ATOM 0 HG3 LYS A 57 14.247 -2.610 -4.133 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.294 -0.722 -1.727 1.00 0.00 H new ATOM 0 HD3 LYS A 57 14.638 -0.305 -3.394 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.918 -0.995 -2.223 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.465 0.580 -2.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.972 0.083 -4.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 12.799 -1.399 -4.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.185 -1.307 -4.289 1.00 0.00 H new ATOM 881 N SER A 58 12.654 -5.222 -4.824 1.00 0.00 N ATOM 882 CA SER A 58 12.830 -5.578 -6.288 1.00 0.00 C ATOM 883 C SER A 58 11.641 -5.133 -7.163 1.00 0.00 C ATOM 884 O SER A 58 11.776 -4.905 -8.346 1.00 0.00 O ATOM 885 CB SER A 58 13.007 -7.100 -6.442 1.00 0.00 C ATOM 886 OG SER A 58 14.176 -7.358 -5.679 1.00 0.00 O ATOM 0 H SER A 58 12.846 -5.982 -4.172 1.00 0.00 H new ATOM 0 HA SER A 58 13.717 -5.044 -6.630 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.146 -7.648 -6.061 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.133 -7.389 -7.485 1.00 0.00 H new ATOM 0 HG SER A 58 14.130 -8.263 -5.306 1.00 0.00 H new ATOM 892 N LEU A 59 10.498 -5.034 -6.537 1.00 0.00 N ATOM 893 CA LEU A 59 9.241 -4.612 -7.240 1.00 0.00 C ATOM 894 C LEU A 59 8.791 -3.155 -6.911 1.00 0.00 C ATOM 895 O LEU A 59 8.320 -2.442 -7.778 1.00 0.00 O ATOM 896 CB LEU A 59 8.154 -5.633 -6.843 1.00 0.00 C ATOM 897 CG LEU A 59 6.892 -5.437 -7.699 1.00 0.00 C ATOM 898 CD1 LEU A 59 7.182 -5.842 -9.145 1.00 0.00 C ATOM 899 CD2 LEU A 59 5.802 -6.357 -7.195 1.00 0.00 C ATOM 0 H LEU A 59 10.376 -5.232 -5.544 1.00 0.00 H new ATOM 0 HA LEU A 59 9.419 -4.602 -8.315 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.534 -6.646 -6.972 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.906 -5.517 -5.788 1.00 0.00 H new ATOM 0 HG LEU A 59 6.589 -4.392 -7.641 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.285 -5.702 -9.749 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.987 -5.223 -9.542 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.480 -6.890 -9.176 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.904 -6.222 -7.798 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.137 -7.392 -7.268 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.579 -6.121 -6.155 1.00 0.00 H new ATOM 911 N SER A 60 8.917 -2.717 -5.678 1.00 0.00 N ATOM 912 CA SER A 60 8.488 -1.308 -5.347 1.00 0.00 C ATOM 913 C SER A 60 9.389 -0.094 -5.729 1.00 0.00 C ATOM 914 O SER A 60 10.497 -0.218 -6.210 1.00 0.00 O ATOM 915 CB SER A 60 8.278 -1.311 -3.905 1.00 0.00 C ATOM 916 OG SER A 60 9.605 -1.457 -3.382 1.00 0.00 O ATOM 0 H SER A 60 9.290 -3.258 -4.898 1.00 0.00 H new ATOM 0 HA SER A 60 7.622 -1.119 -5.981 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.810 -0.387 -3.564 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.630 -2.130 -3.594 1.00 0.00 H new ATOM 0 HG SER A 60 9.688 -2.327 -2.938 1.00 0.00 H new ATOM 922 N HIS A 61 8.879 1.079 -5.462 1.00 0.00 N ATOM 923 CA HIS A 61 9.590 2.376 -5.763 1.00 0.00 C ATOM 924 C HIS A 61 10.896 2.623 -4.953 1.00 0.00 C ATOM 925 O HIS A 61 11.447 1.751 -4.313 1.00 0.00 O ATOM 926 CB HIS A 61 8.582 3.524 -5.485 1.00 0.00 C ATOM 927 CG HIS A 61 7.410 3.533 -6.438 1.00 0.00 C ATOM 928 ND1 HIS A 61 6.524 4.460 -6.407 1.00 0.00 N ATOM 929 CD2 HIS A 61 7.001 2.696 -7.455 1.00 0.00 C ATOM 930 CE1 HIS A 61 5.630 4.239 -7.322 1.00 0.00 C ATOM 931 NE2 HIS A 61 5.890 3.150 -7.997 1.00 0.00 N ATOM 0 H HIS A 61 7.963 1.204 -5.031 1.00 0.00 H new ATOM 0 HA HIS A 61 9.915 2.331 -6.802 1.00 0.00 H new ATOM 0 HB2 HIS A 61 8.211 3.433 -4.464 1.00 0.00 H new ATOM 0 HB3 HIS A 61 9.103 4.479 -5.551 1.00 0.00 H new ATOM 0 HD1 HIS A 61 6.522 5.250 -5.762 1.00 0.00 H new ATOM 0 HD2 HIS A 61 7.517 1.798 -7.762 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.777 4.876 -7.503 1.00 0.00 H new ATOM 939 N LYS A 62 11.373 3.833 -5.012 1.00 0.00 N ATOM 940 CA LYS A 62 12.624 4.244 -4.280 1.00 0.00 C ATOM 941 C LYS A 62 12.278 5.414 -3.337 1.00 0.00 C ATOM 942 O LYS A 62 11.158 5.891 -3.336 1.00 0.00 O ATOM 943 CB LYS A 62 13.680 4.717 -5.274 1.00 0.00 C ATOM 944 CG LYS A 62 14.040 3.589 -6.275 1.00 0.00 C ATOM 945 CD LYS A 62 15.174 4.071 -7.237 1.00 0.00 C ATOM 946 CE LYS A 62 14.712 5.230 -8.124 1.00 0.00 C ATOM 947 NZ LYS A 62 15.863 5.566 -9.025 1.00 0.00 N ATOM 0 H LYS A 62 10.941 4.584 -5.551 1.00 0.00 H new ATOM 0 HA LYS A 62 13.011 3.394 -3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.311 5.587 -5.817 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.575 5.033 -4.738 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.364 2.700 -5.733 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.158 3.307 -6.851 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.039 4.383 -6.652 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.497 3.240 -7.864 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.835 4.947 -8.706 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.429 6.092 -7.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.596 6.353 -9.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.684 5.844 -8.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.108 4.735 -9.600 1.00 0.00 H new ATOM 961 N GLN A 63 13.230 5.876 -2.580 1.00 0.00 N ATOM 962 CA GLN A 63 12.918 7.008 -1.656 1.00 0.00 C ATOM 963 C GLN A 63 12.988 8.418 -2.306 1.00 0.00 C ATOM 964 O GLN A 63 13.508 9.375 -1.777 1.00 0.00 O ATOM 965 CB GLN A 63 13.895 6.816 -0.459 1.00 0.00 C ATOM 966 CG GLN A 63 13.551 5.433 0.238 1.00 0.00 C ATOM 967 CD GLN A 63 14.580 5.011 1.270 1.00 0.00 C ATOM 968 OE1 GLN A 63 15.767 5.035 1.030 1.00 0.00 O ATOM 969 NE2 GLN A 63 14.210 4.603 2.426 1.00 0.00 N ATOM 0 H GLN A 63 14.190 5.532 -2.556 1.00 0.00 H new ATOM 0 HA GLN A 63 11.876 6.977 -1.339 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.928 6.821 -0.806 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.793 7.636 0.251 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.575 5.508 0.717 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.473 4.659 -0.525 1.00 0.00 H new ATOM 0 HE21 GLN A 63 13.218 4.570 2.662 1.00 0.00 H new ATOM 0 HE22 GLN A 63 14.907 4.311 3.111 1.00 0.00 H new ATOM 978 N LEU A 64 12.416 8.473 -3.484 1.00 0.00 N ATOM 979 CA LEU A 64 12.374 9.752 -4.279 1.00 0.00 C ATOM 980 C LEU A 64 11.312 9.855 -5.436 1.00 0.00 C ATOM 981 O LEU A 64 11.628 10.285 -6.530 1.00 0.00 O ATOM 982 CB LEU A 64 13.831 9.994 -4.844 1.00 0.00 C ATOM 983 CG LEU A 64 14.348 8.878 -5.791 1.00 0.00 C ATOM 984 CD1 LEU A 64 15.508 9.475 -6.587 1.00 0.00 C ATOM 985 CD2 LEU A 64 14.977 7.752 -4.962 1.00 0.00 C ATOM 0 H LEU A 64 11.969 7.677 -3.939 1.00 0.00 H new ATOM 0 HA LEU A 64 12.038 10.524 -3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 64 13.846 10.943 -5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 64 14.521 10.090 -4.006 1.00 0.00 H new ATOM 0 HG LEU A 64 13.528 8.510 -6.408 1.00 0.00 H new ATOM 0 HD11 LEU A 64 15.906 8.724 -7.269 1.00 0.00 H new ATOM 0 HD12 LEU A 64 15.154 10.333 -7.158 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.293 9.795 -5.902 1.00 0.00 H new ATOM 0 HD21 LEU A 64 15.340 6.969 -5.628 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.810 8.149 -4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.229 7.336 -4.286 1.00 0.00 H new ATOM 997 N LEU A 65 10.064 9.491 -5.236 1.00 0.00 N ATOM 998 CA LEU A 65 9.102 9.624 -6.404 1.00 0.00 C ATOM 999 C LEU A 65 8.523 11.067 -6.430 1.00 0.00 C ATOM 1000 O LEU A 65 7.396 11.337 -6.051 1.00 0.00 O ATOM 1001 CB LEU A 65 7.928 8.601 -6.273 1.00 0.00 C ATOM 1002 CG LEU A 65 7.322 8.288 -7.682 1.00 0.00 C ATOM 1003 CD1 LEU A 65 5.959 7.645 -7.512 1.00 0.00 C ATOM 1004 CD2 LEU A 65 7.093 9.541 -8.537 1.00 0.00 C ATOM 0 H LEU A 65 9.676 9.125 -4.367 1.00 0.00 H new ATOM 0 HA LEU A 65 9.644 9.419 -7.327 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.288 7.681 -5.812 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.156 9.005 -5.619 1.00 0.00 H new ATOM 0 HG LEU A 65 8.044 7.640 -8.179 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.535 7.426 -8.492 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.062 6.719 -6.946 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.299 8.327 -6.975 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.672 9.252 -9.500 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.402 10.210 -8.024 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.043 10.052 -8.695 1.00 0.00 H new ATOM 1016 N MET A 66 9.353 11.960 -6.882 1.00 0.00 N ATOM 1017 CA MET A 66 8.997 13.421 -6.992 1.00 0.00 C ATOM 1018 C MET A 66 8.889 13.884 -8.466 1.00 0.00 C ATOM 1019 O MET A 66 9.451 14.851 -8.934 1.00 0.00 O ATOM 1020 CB MET A 66 10.078 14.112 -6.246 1.00 0.00 C ATOM 1021 CG MET A 66 9.760 15.602 -5.991 1.00 0.00 C ATOM 1022 SD MET A 66 10.998 16.509 -5.036 1.00 0.00 S ATOM 1023 CE MET A 66 12.048 16.995 -6.427 1.00 0.00 C ATOM 0 H MET A 66 10.299 11.741 -7.193 1.00 0.00 H new ATOM 0 HA MET A 66 8.014 13.646 -6.579 1.00 0.00 H new ATOM 0 HB2 MET A 66 10.236 13.609 -5.292 1.00 0.00 H new ATOM 0 HB3 MET A 66 11.010 14.033 -6.806 1.00 0.00 H new ATOM 0 HG2 MET A 66 9.633 16.098 -6.953 1.00 0.00 H new ATOM 0 HG3 MET A 66 8.805 15.668 -5.470 1.00 0.00 H new ATOM 0 HE1 MET A 66 12.893 17.577 -6.059 1.00 0.00 H new ATOM 0 HE2 MET A 66 12.416 16.103 -6.934 1.00 0.00 H new ATOM 0 HE3 MET A 66 11.469 17.598 -7.127 1.00 0.00 H new ATOM 1033 N SER A 67 8.110 13.106 -9.131 1.00 0.00 N ATOM 1034 CA SER A 67 7.808 13.309 -10.607 1.00 0.00 C ATOM 1035 C SER A 67 6.390 13.913 -10.870 1.00 0.00 C ATOM 1036 O SER A 67 5.488 13.262 -11.363 1.00 0.00 O ATOM 1037 CB SER A 67 7.940 11.948 -11.301 1.00 0.00 C ATOM 1038 OG SER A 67 8.084 12.334 -12.661 1.00 0.00 O ATOM 0 H SER A 67 7.639 12.299 -8.721 1.00 0.00 H new ATOM 0 HA SER A 67 8.518 14.033 -11.006 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.802 11.386 -10.941 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.062 11.321 -11.144 1.00 0.00 H new ATOM 0 HG SER A 67 7.929 11.558 -13.239 1.00 0.00 H new ATOM 1044 N PRO A 68 6.210 15.170 -10.518 1.00 0.00 N ATOM 1045 CA PRO A 68 4.858 15.794 -10.256 1.00 0.00 C ATOM 1046 C PRO A 68 3.700 15.572 -11.287 1.00 0.00 C ATOM 1047 O PRO A 68 3.342 16.470 -12.023 1.00 0.00 O ATOM 1048 CB PRO A 68 5.227 17.291 -10.038 1.00 0.00 C ATOM 1049 CG PRO A 68 6.566 17.432 -10.803 1.00 0.00 C ATOM 1050 CD PRO A 68 7.305 16.174 -10.369 1.00 0.00 C ATOM 0 HA PRO A 68 4.380 15.297 -9.412 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.462 17.958 -10.436 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.339 17.530 -8.980 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.419 17.468 -11.882 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.103 18.339 -10.524 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.163 15.954 -11.005 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.675 16.239 -9.346 1.00 0.00 H new ATOM 1058 N GLY A 69 3.140 14.392 -11.317 1.00 0.00 N ATOM 1059 CA GLY A 69 2.008 14.086 -12.283 1.00 0.00 C ATOM 1060 C GLY A 69 2.282 12.971 -13.289 1.00 0.00 C ATOM 1061 O GLY A 69 1.451 12.688 -14.126 1.00 0.00 O ATOM 0 H GLY A 69 3.410 13.613 -10.716 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.123 13.820 -11.705 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.768 14.996 -12.833 1.00 0.00 H new ATOM 1065 N GLN A 70 3.423 12.353 -13.200 1.00 0.00 N ATOM 1066 CA GLN A 70 3.772 11.243 -14.147 1.00 0.00 C ATOM 1067 C GLN A 70 3.640 9.842 -13.475 1.00 0.00 C ATOM 1068 O GLN A 70 3.785 9.673 -12.282 1.00 0.00 O ATOM 1069 CB GLN A 70 5.202 11.617 -14.629 1.00 0.00 C ATOM 1070 CG GLN A 70 5.874 10.489 -15.486 1.00 0.00 C ATOM 1071 CD GLN A 70 6.648 9.537 -14.596 1.00 0.00 C ATOM 1072 OE1 GLN A 70 7.574 9.914 -13.922 1.00 0.00 O ATOM 1073 NE2 GLN A 70 6.343 8.299 -14.533 1.00 0.00 N ATOM 0 H GLN A 70 4.141 12.566 -12.507 1.00 0.00 H new ATOM 0 HA GLN A 70 3.093 11.151 -14.995 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.153 12.533 -15.218 1.00 0.00 H new ATOM 0 HB3 GLN A 70 5.828 11.829 -13.762 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.111 9.941 -16.039 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.544 10.933 -16.222 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.567 7.936 -15.086 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.876 7.673 -13.929 1.00 0.00 H new ATOM 1082 N SER A 71 3.344 8.855 -14.270 1.00 0.00 N ATOM 1083 CA SER A 71 3.179 7.444 -13.755 1.00 0.00 C ATOM 1084 C SER A 71 4.095 6.304 -14.240 1.00 0.00 C ATOM 1085 O SER A 71 4.692 6.334 -15.298 1.00 0.00 O ATOM 1086 CB SER A 71 1.751 7.059 -14.052 1.00 0.00 C ATOM 1087 OG SER A 71 1.665 7.310 -15.451 1.00 0.00 O ATOM 0 H SER A 71 3.204 8.956 -15.275 1.00 0.00 H new ATOM 0 HA SER A 71 3.477 7.519 -12.709 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.551 6.015 -13.811 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.040 7.659 -13.485 1.00 0.00 H new ATOM 0 HG SER A 71 0.990 6.721 -15.848 1.00 0.00 H new ATOM 1093 N THR A 72 4.200 5.299 -13.414 1.00 0.00 N ATOM 1094 CA THR A 72 5.053 4.089 -13.755 1.00 0.00 C ATOM 1095 C THR A 72 4.226 2.788 -13.891 1.00 0.00 C ATOM 1096 O THR A 72 3.203 2.641 -13.253 1.00 0.00 O ATOM 1097 CB THR A 72 6.129 3.859 -12.667 1.00 0.00 C ATOM 1098 OG1 THR A 72 6.741 2.641 -13.052 1.00 0.00 O ATOM 1099 CG2 THR A 72 5.577 3.513 -11.314 1.00 0.00 C ATOM 0 H THR A 72 3.734 5.250 -12.508 1.00 0.00 H new ATOM 0 HA THR A 72 5.512 4.310 -14.718 1.00 0.00 H new ATOM 0 HB THR A 72 6.734 4.763 -12.596 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.447 2.413 -12.412 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.398 3.369 -10.612 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.938 4.324 -10.963 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.993 2.595 -11.383 1.00 0.00 H new ATOM 1107 N SER A 73 4.717 1.884 -14.692 1.00 0.00 N ATOM 1108 CA SER A 73 4.057 0.544 -14.968 1.00 0.00 C ATOM 1109 C SER A 73 4.813 -0.580 -14.260 1.00 0.00 C ATOM 1110 O SER A 73 5.904 -0.953 -14.643 1.00 0.00 O ATOM 1111 CB SER A 73 4.065 0.261 -16.466 1.00 0.00 C ATOM 1112 OG SER A 73 3.374 -0.986 -16.543 1.00 0.00 O ATOM 0 H SER A 73 5.593 2.014 -15.198 1.00 0.00 H new ATOM 0 HA SER A 73 3.033 0.587 -14.598 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.557 1.043 -17.030 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.078 0.190 -16.861 1.00 0.00 H new ATOM 0 HG SER A 73 3.317 -1.271 -17.479 1.00 0.00 H new ATOM 1118 N THR A 74 4.208 -1.109 -13.240 1.00 0.00 N ATOM 1119 CA THR A 74 4.858 -2.222 -12.460 1.00 0.00 C ATOM 1120 C THR A 74 4.105 -3.520 -12.714 1.00 0.00 C ATOM 1121 O THR A 74 2.895 -3.596 -12.612 1.00 0.00 O ATOM 1122 CB THR A 74 4.828 -1.890 -10.952 1.00 0.00 C ATOM 1123 OG1 THR A 74 5.746 -0.818 -10.812 1.00 0.00 O ATOM 1124 CG2 THR A 74 5.517 -2.949 -10.106 1.00 0.00 C ATOM 0 H THR A 74 3.288 -0.826 -12.902 1.00 0.00 H new ATOM 0 HA THR A 74 5.894 -2.333 -12.780 1.00 0.00 H new ATOM 0 HB THR A 74 3.789 -1.746 -10.654 1.00 0.00 H new ATOM 0 HG1 THR A 74 5.786 -0.542 -9.872 1.00 0.00 H new ATOM 0 HG21 THR A 74 5.466 -2.665 -9.055 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.019 -3.908 -10.247 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.561 -3.034 -10.409 1.00 0.00 H new ATOM 1132 N THR A 75 4.837 -4.533 -13.063 1.00 0.00 N ATOM 1133 CA THR A 75 4.212 -5.881 -13.344 1.00 0.00 C ATOM 1134 C THR A 75 4.622 -6.926 -12.318 1.00 0.00 C ATOM 1135 O THR A 75 5.697 -6.847 -11.762 1.00 0.00 O ATOM 1136 CB THR A 75 4.650 -6.379 -14.725 1.00 0.00 C ATOM 1137 OG1 THR A 75 4.217 -5.374 -15.621 1.00 0.00 O ATOM 1138 CG2 THR A 75 3.802 -7.527 -15.227 1.00 0.00 C ATOM 0 H THR A 75 5.851 -4.501 -13.171 1.00 0.00 H new ATOM 0 HA THR A 75 3.131 -5.746 -13.298 1.00 0.00 H new ATOM 0 HB THR A 75 5.708 -6.633 -14.666 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.465 -5.622 -16.536 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.157 -7.839 -16.209 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.874 -8.364 -14.532 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.763 -7.206 -15.302 1.00 0.00 H new ATOM 1146 N PHE A 76 3.762 -7.872 -12.104 1.00 0.00 N ATOM 1147 CA PHE A 76 4.020 -8.984 -11.120 1.00 0.00 C ATOM 1148 C PHE A 76 4.261 -10.356 -11.824 1.00 0.00 C ATOM 1149 O PHE A 76 3.325 -11.106 -12.005 1.00 0.00 O ATOM 1150 CB PHE A 76 2.799 -9.070 -10.186 1.00 0.00 C ATOM 1151 CG PHE A 76 2.626 -7.838 -9.306 1.00 0.00 C ATOM 1152 CD1 PHE A 76 2.323 -6.613 -9.858 1.00 0.00 C ATOM 1153 CD2 PHE A 76 2.768 -7.944 -7.942 1.00 0.00 C ATOM 1154 CE1 PHE A 76 2.168 -5.506 -9.060 1.00 0.00 C ATOM 1155 CE2 PHE A 76 2.612 -6.839 -7.138 1.00 0.00 C ATOM 1156 CZ PHE A 76 2.312 -5.618 -7.701 1.00 0.00 C ATOM 0 H PHE A 76 2.861 -7.934 -12.577 1.00 0.00 H new ATOM 0 HA PHE A 76 4.929 -8.763 -10.561 1.00 0.00 H new ATOM 0 HB2 PHE A 76 1.900 -9.208 -10.786 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.897 -9.951 -9.551 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.206 -6.522 -10.928 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.003 -8.901 -7.500 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.933 -4.549 -9.502 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.724 -6.928 -6.068 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.190 -4.749 -7.072 1.00 0.00 H new ATOM 1166 N PRO A 77 5.478 -10.673 -12.214 1.00 0.00 N ATOM 1167 CA PRO A 77 5.812 -11.965 -12.861 1.00 0.00 C ATOM 1168 C PRO A 77 6.554 -12.845 -11.858 1.00 0.00 C ATOM 1169 O PRO A 77 5.893 -13.541 -11.116 1.00 0.00 O ATOM 1170 CB PRO A 77 6.660 -11.570 -14.032 1.00 0.00 C ATOM 1171 CG PRO A 77 7.257 -10.145 -13.582 1.00 0.00 C ATOM 1172 CD PRO A 77 6.711 -9.874 -12.132 1.00 0.00 C ATOM 0 HA PRO A 77 4.950 -12.547 -13.186 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.450 -12.297 -14.222 1.00 0.00 H new ATOM 0 HB3 PRO A 77 6.073 -11.491 -14.947 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.347 -10.160 -13.590 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.944 -9.358 -14.268 1.00 0.00 H new ATOM 0 HD2 PRO A 77 7.389 -10.220 -11.352 1.00 0.00 H new ATOM 0 HD3 PRO A 77 6.520 -8.818 -11.942 1.00 0.00 H new ATOM 1180 N ALA A 78 7.881 -12.722 -11.894 1.00 0.00 N ATOM 1181 CA ALA A 78 8.858 -13.477 -11.015 1.00 0.00 C ATOM 1182 C ALA A 78 8.012 -14.506 -10.286 1.00 0.00 C ATOM 1183 O ALA A 78 7.749 -14.367 -9.111 1.00 0.00 O ATOM 1184 CB ALA A 78 9.518 -12.411 -10.091 1.00 0.00 C ATOM 0 H ALA A 78 8.347 -12.086 -12.541 1.00 0.00 H new ATOM 0 HA ALA A 78 9.665 -14.001 -11.527 1.00 0.00 H new ATOM 0 HB1 ALA A 78 10.236 -12.897 -9.430 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.031 -11.668 -10.701 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.749 -11.921 -9.494 1.00 0.00 H new ATOM 1190 N ASP A 79 7.691 -15.474 -11.097 1.00 0.00 N ATOM 1191 CA ASP A 79 6.820 -16.695 -10.812 1.00 0.00 C ATOM 1192 C ASP A 79 6.602 -16.890 -9.270 1.00 0.00 C ATOM 1193 O ASP A 79 7.023 -17.791 -8.564 1.00 0.00 O ATOM 1194 CB ASP A 79 7.567 -17.818 -11.617 1.00 0.00 C ATOM 1195 CG ASP A 79 7.664 -17.365 -13.061 1.00 0.00 C ATOM 1196 OD1 ASP A 79 6.699 -17.577 -13.765 1.00 0.00 O ATOM 1197 OD2 ASP A 79 8.709 -16.813 -13.360 1.00 0.00 O ATOM 0 H ASP A 79 8.031 -15.479 -12.059 1.00 0.00 H new ATOM 0 HA ASP A 79 5.780 -16.650 -11.137 1.00 0.00 H new ATOM 0 HB2 ASP A 79 8.561 -17.989 -11.202 1.00 0.00 H new ATOM 0 HB3 ASP A 79 7.026 -18.762 -11.548 1.00 0.00 H new ATOM 1202 N ALA A 80 5.863 -15.886 -8.858 1.00 0.00 N ATOM 1203 CA ALA A 80 5.395 -15.644 -7.459 1.00 0.00 C ATOM 1204 C ALA A 80 4.028 -16.332 -7.094 1.00 0.00 C ATOM 1205 O ALA A 80 3.291 -16.776 -7.955 1.00 0.00 O ATOM 1206 CB ALA A 80 5.360 -14.075 -7.354 1.00 0.00 C ATOM 0 H ALA A 80 5.541 -15.163 -9.501 1.00 0.00 H new ATOM 0 HA ALA A 80 6.060 -16.102 -6.726 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.027 -13.784 -6.358 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.358 -13.676 -7.533 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.671 -13.676 -8.098 1.00 0.00 H new ATOM 1212 N PRO A 81 3.715 -16.408 -5.816 1.00 0.00 N ATOM 1213 CA PRO A 81 2.434 -17.006 -5.334 1.00 0.00 C ATOM 1214 C PRO A 81 1.240 -16.016 -5.148 1.00 0.00 C ATOM 1215 O PRO A 81 1.343 -14.816 -5.327 1.00 0.00 O ATOM 1216 CB PRO A 81 2.905 -17.682 -4.056 1.00 0.00 C ATOM 1217 CG PRO A 81 3.817 -16.563 -3.455 1.00 0.00 C ATOM 1218 CD PRO A 81 4.573 -15.963 -4.679 1.00 0.00 C ATOM 0 HA PRO A 81 1.975 -17.678 -6.059 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.077 -17.940 -3.395 1.00 0.00 H new ATOM 0 HB3 PRO A 81 3.455 -18.602 -4.253 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.226 -15.803 -2.944 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.513 -16.971 -2.722 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.646 -14.877 -4.622 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.590 -16.347 -4.760 1.00 0.00 H new ATOM 1226 N ALA A 82 0.131 -16.582 -4.766 1.00 0.00 N ATOM 1227 CA ALA A 82 -1.113 -15.780 -4.541 1.00 0.00 C ATOM 1228 C ALA A 82 -1.200 -15.225 -3.086 1.00 0.00 C ATOM 1229 O ALA A 82 -0.428 -15.585 -2.218 1.00 0.00 O ATOM 1230 CB ALA A 82 -2.283 -16.729 -4.893 1.00 0.00 C ATOM 0 H ALA A 82 0.028 -17.582 -4.596 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.134 -14.887 -5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.230 -16.208 -4.751 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.195 -17.045 -5.932 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.250 -17.604 -4.244 1.00 0.00 H new ATOM 1236 N GLY A 83 -2.146 -14.357 -2.855 1.00 0.00 N ATOM 1237 CA GLY A 83 -2.327 -13.740 -1.475 1.00 0.00 C ATOM 1238 C GLY A 83 -2.110 -12.221 -1.478 1.00 0.00 C ATOM 1239 O GLY A 83 -2.004 -11.631 -2.533 1.00 0.00 O ATOM 0 H GLY A 83 -2.814 -14.036 -3.556 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.331 -13.960 -1.111 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.627 -14.202 -0.779 1.00 0.00 H new ATOM 1243 N GLU A 84 -2.040 -11.623 -0.322 1.00 0.00 N ATOM 1244 CA GLU A 84 -1.833 -10.129 -0.232 1.00 0.00 C ATOM 1245 C GLU A 84 -0.399 -9.565 -0.029 1.00 0.00 C ATOM 1246 O GLU A 84 0.329 -9.945 0.866 1.00 0.00 O ATOM 1247 CB GLU A 84 -2.689 -9.579 0.927 1.00 0.00 C ATOM 1248 CG GLU A 84 -4.209 -9.472 0.583 1.00 0.00 C ATOM 1249 CD GLU A 84 -4.959 -8.760 1.691 1.00 0.00 C ATOM 1250 OE1 GLU A 84 -4.719 -9.066 2.842 1.00 0.00 O ATOM 1251 OE2 GLU A 84 -5.765 -7.903 1.384 1.00 0.00 O ATOM 0 H GLU A 84 -2.117 -12.099 0.577 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.114 -9.801 -1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.566 -10.224 1.797 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.318 -8.593 1.206 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.338 -8.932 -0.355 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.625 -10.469 0.437 1.00 0.00 H new ATOM 1258 N TYR A 85 -0.036 -8.667 -0.899 1.00 0.00 N ATOM 1259 CA TYR A 85 1.311 -7.992 -0.850 1.00 0.00 C ATOM 1260 C TYR A 85 1.045 -6.493 -0.570 1.00 0.00 C ATOM 1261 O TYR A 85 0.161 -5.930 -1.197 1.00 0.00 O ATOM 1262 CB TYR A 85 2.020 -8.111 -2.203 1.00 0.00 C ATOM 1263 CG TYR A 85 2.307 -9.551 -2.591 1.00 0.00 C ATOM 1264 CD1 TYR A 85 3.483 -10.153 -2.201 1.00 0.00 C ATOM 1265 CD2 TYR A 85 1.396 -10.258 -3.343 1.00 0.00 C ATOM 1266 CE1 TYR A 85 3.742 -11.458 -2.571 1.00 0.00 C ATOM 1267 CE2 TYR A 85 1.667 -11.561 -3.706 1.00 0.00 C ATOM 1268 CZ TYR A 85 2.834 -12.156 -3.321 1.00 0.00 C ATOM 1269 OH TYR A 85 3.100 -13.448 -3.687 1.00 0.00 O ATOM 0 H TYR A 85 -0.628 -8.357 -1.669 1.00 0.00 H new ATOM 0 HA TYR A 85 1.938 -8.453 -0.086 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.404 -7.648 -2.973 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.957 -7.555 -2.167 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.200 -9.606 -1.607 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.470 -9.793 -3.648 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.665 -11.930 -2.267 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.952 -12.113 -4.298 1.00 0.00 H new ATOM 0 HH TYR A 85 2.383 -13.778 -4.268 1.00 0.00 H new ATOM 1279 N THR A 86 1.772 -5.876 0.314 1.00 0.00 N ATOM 1280 CA THR A 86 1.519 -4.410 0.591 1.00 0.00 C ATOM 1281 C THR A 86 2.619 -3.441 0.146 1.00 0.00 C ATOM 1282 O THR A 86 3.798 -3.726 0.151 1.00 0.00 O ATOM 1283 CB THR A 86 1.277 -4.217 2.128 1.00 0.00 C ATOM 1284 OG1 THR A 86 -0.063 -3.791 2.268 1.00 0.00 O ATOM 1285 CG2 THR A 86 1.863 -2.958 2.733 1.00 0.00 C ATOM 0 H THR A 86 2.523 -6.302 0.857 1.00 0.00 H new ATOM 0 HA THR A 86 0.648 -4.156 -0.013 1.00 0.00 H new ATOM 0 HB THR A 86 1.650 -5.141 2.569 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.284 -3.165 1.547 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.636 -2.927 3.799 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.944 -2.955 2.592 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.431 -2.085 2.244 1.00 0.00 H new ATOM 1293 N PHE A 87 2.171 -2.290 -0.254 1.00 0.00 N ATOM 1294 CA PHE A 87 3.054 -1.186 -0.719 1.00 0.00 C ATOM 1295 C PHE A 87 2.892 0.048 0.205 1.00 0.00 C ATOM 1296 O PHE A 87 1.808 0.584 0.323 1.00 0.00 O ATOM 1297 CB PHE A 87 2.701 -0.781 -2.194 1.00 0.00 C ATOM 1298 CG PHE A 87 1.346 -1.308 -2.642 1.00 0.00 C ATOM 1299 CD1 PHE A 87 1.156 -2.662 -2.750 1.00 0.00 C ATOM 1300 CD2 PHE A 87 0.311 -0.457 -2.939 1.00 0.00 C ATOM 1301 CE1 PHE A 87 -0.046 -3.173 -3.147 1.00 0.00 C ATOM 1302 CE2 PHE A 87 -0.905 -0.962 -3.342 1.00 0.00 C ATOM 1303 CZ PHE A 87 -1.089 -2.323 -3.449 1.00 0.00 C ATOM 0 H PHE A 87 1.178 -2.057 -0.279 1.00 0.00 H new ATOM 0 HA PHE A 87 4.086 -1.535 -0.684 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.709 0.306 -2.279 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.473 -1.159 -2.864 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.969 -3.334 -2.518 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.451 0.611 -2.856 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.180 -4.242 -3.224 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.717 -0.289 -3.575 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.042 -2.721 -3.767 1.00 0.00 H new ATOM 1313 N TYR A 88 3.933 0.472 0.851 1.00 0.00 N ATOM 1314 CA TYR A 88 3.881 1.654 1.767 1.00 0.00 C ATOM 1315 C TYR A 88 4.764 2.873 1.396 1.00 0.00 C ATOM 1316 O TYR A 88 5.935 2.716 1.125 1.00 0.00 O ATOM 1317 CB TYR A 88 4.256 1.136 3.188 1.00 0.00 C ATOM 1318 CG TYR A 88 5.514 0.268 3.092 1.00 0.00 C ATOM 1319 CD1 TYR A 88 5.393 -1.053 2.725 1.00 0.00 C ATOM 1320 CD2 TYR A 88 6.770 0.772 3.349 1.00 0.00 C ATOM 1321 CE1 TYR A 88 6.503 -1.856 2.615 1.00 0.00 C ATOM 1322 CE2 TYR A 88 7.881 -0.045 3.237 1.00 0.00 C ATOM 1323 CZ TYR A 88 7.752 -1.360 2.870 1.00 0.00 C ATOM 1324 OH TYR A 88 8.859 -2.168 2.761 1.00 0.00 O ATOM 0 H TYR A 88 4.854 0.038 0.784 1.00 0.00 H new ATOM 0 HA TYR A 88 2.870 2.056 1.695 1.00 0.00 H new ATOM 0 HB2 TYR A 88 4.430 1.976 3.860 1.00 0.00 H new ATOM 0 HB3 TYR A 88 3.432 0.558 3.607 1.00 0.00 H new ATOM 0 HD1 TYR A 88 4.415 -1.463 2.521 1.00 0.00 H new ATOM 0 HD2 TYR A 88 6.888 1.806 3.638 1.00 0.00 H new ATOM 0 HE1 TYR A 88 6.388 -2.890 2.324 1.00 0.00 H new ATOM 0 HE2 TYR A 88 8.862 0.358 3.441 1.00 0.00 H new ATOM 0 HH TYR A 88 8.725 -2.809 2.032 1.00 0.00 H new ATOM 1334 N CYS A 89 4.218 4.058 1.382 1.00 0.00 N ATOM 1335 CA CYS A 89 5.066 5.264 1.033 1.00 0.00 C ATOM 1336 C CYS A 89 5.891 5.742 2.273 1.00 0.00 C ATOM 1337 O CYS A 89 5.433 6.673 2.897 1.00 0.00 O ATOM 1338 CB CYS A 89 4.175 6.454 0.593 1.00 0.00 C ATOM 1339 SG CYS A 89 3.559 6.841 -1.055 1.00 0.00 S ATOM 0 H CYS A 89 3.239 4.255 1.591 1.00 0.00 H new ATOM 0 HA CYS A 89 5.730 4.961 0.224 1.00 0.00 H new ATOM 0 HB2 CYS A 89 3.285 6.386 1.218 1.00 0.00 H new ATOM 0 HB3 CYS A 89 4.719 7.345 0.908 1.00 0.00 H new ATOM 1344 N GLU A 90 7.011 5.180 2.640 1.00 0.00 N ATOM 1345 CA GLU A 90 7.776 5.689 3.860 1.00 0.00 C ATOM 1346 C GLU A 90 7.469 7.174 4.363 1.00 0.00 C ATOM 1347 O GLU A 90 6.831 7.340 5.390 1.00 0.00 O ATOM 1348 CB GLU A 90 9.298 5.494 3.524 1.00 0.00 C ATOM 1349 CG GLU A 90 9.732 3.998 3.693 1.00 0.00 C ATOM 1350 CD GLU A 90 11.201 3.828 3.315 1.00 0.00 C ATOM 1351 OE1 GLU A 90 11.443 3.829 2.124 1.00 0.00 O ATOM 1352 OE2 GLU A 90 12.002 3.716 4.219 1.00 0.00 O ATOM 0 H GLU A 90 7.444 4.391 2.161 1.00 0.00 H new ATOM 0 HA GLU A 90 7.437 5.109 4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.491 5.817 2.501 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.900 6.126 4.177 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.575 3.681 4.724 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.111 3.359 3.065 1.00 0.00 H new ATOM 1359 N PRO A 91 7.893 8.202 3.645 1.00 0.00 N ATOM 1360 CA PRO A 91 7.672 9.653 4.018 1.00 0.00 C ATOM 1361 C PRO A 91 6.195 10.140 4.091 1.00 0.00 C ATOM 1362 O PRO A 91 5.898 11.225 4.544 1.00 0.00 O ATOM 1363 CB PRO A 91 8.505 10.403 2.965 1.00 0.00 C ATOM 1364 CG PRO A 91 8.376 9.464 1.734 1.00 0.00 C ATOM 1365 CD PRO A 91 8.642 8.091 2.361 1.00 0.00 C ATOM 0 HA PRO A 91 7.976 9.837 5.048 1.00 0.00 H new ATOM 0 HB2 PRO A 91 8.110 11.399 2.764 1.00 0.00 H new ATOM 0 HB3 PRO A 91 9.542 10.529 3.277 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.388 9.521 1.278 1.00 0.00 H new ATOM 0 HG3 PRO A 91 9.101 9.706 0.957 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.271 7.277 1.739 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.705 7.912 2.520 1.00 0.00 H new ATOM 1373 N HIS A 92 5.298 9.318 3.638 1.00 0.00 N ATOM 1374 CA HIS A 92 3.823 9.638 3.638 1.00 0.00 C ATOM 1375 C HIS A 92 3.121 8.768 4.699 1.00 0.00 C ATOM 1376 O HIS A 92 2.272 9.234 5.431 1.00 0.00 O ATOM 1377 CB HIS A 92 3.221 9.338 2.223 1.00 0.00 C ATOM 1378 CG HIS A 92 3.780 10.255 1.128 1.00 0.00 C ATOM 1379 ND1 HIS A 92 3.778 9.956 -0.177 1.00 0.00 N ATOM 1380 CD2 HIS A 92 4.336 11.505 1.337 1.00 0.00 C ATOM 1381 CE1 HIS A 92 4.325 11.028 -0.723 1.00 0.00 C ATOM 1382 NE2 HIS A 92 4.641 11.912 0.154 1.00 0.00 N ATOM 0 H HIS A 92 5.522 8.401 3.251 1.00 0.00 H new ATOM 0 HA HIS A 92 3.673 10.692 3.872 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.425 8.300 1.960 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.137 9.449 2.264 1.00 0.00 H new ATOM 0 HD2 HIS A 92 4.481 12.020 2.275 1.00 0.00 H new ATOM 0 HE1 HIS A 92 4.488 11.147 -1.784 1.00 0.00 H new ATOM 0 HE2 HIS A 92 5.073 12.811 -0.057 1.00 0.00 H new ATOM 1390 N ARG A 93 3.514 7.517 4.734 1.00 0.00 N ATOM 1391 CA ARG A 93 2.983 6.464 5.677 1.00 0.00 C ATOM 1392 C ARG A 93 2.242 7.032 6.892 1.00 0.00 C ATOM 1393 O ARG A 93 1.147 6.617 7.212 1.00 0.00 O ATOM 1394 CB ARG A 93 4.178 5.581 6.138 1.00 0.00 C ATOM 1395 CG ARG A 93 3.631 4.328 6.926 1.00 0.00 C ATOM 1396 CD ARG A 93 3.970 4.355 8.432 1.00 0.00 C ATOM 1397 NE ARG A 93 3.229 5.513 9.067 1.00 0.00 N ATOM 1398 CZ ARG A 93 2.381 5.390 10.004 1.00 0.00 C ATOM 1399 NH1 ARG A 93 2.764 4.871 11.076 1.00 0.00 N ATOM 1400 NH2 ARG A 93 1.210 5.793 9.821 1.00 0.00 N ATOM 0 H ARG A 93 4.231 7.156 4.104 1.00 0.00 H new ATOM 0 HA ARG A 93 2.240 5.880 5.134 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.759 5.256 5.275 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.848 6.160 6.774 1.00 0.00 H new ATOM 0 HG2 ARG A 93 2.549 4.276 6.806 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.044 3.421 6.484 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.681 3.415 8.903 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.044 4.467 8.577 1.00 0.00 H new ATOM 0 HE ARG A 93 3.424 6.452 8.720 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.731 4.562 11.176 1.00 0.00 H new ATOM 0 HH12 ARG A 93 2.109 4.757 11.850 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.949 6.213 8.929 1.00 0.00 H new ATOM 0 HH22 ARG A 93 0.517 5.701 10.564 1.00 0.00 H new ATOM 1414 N GLY A 94 2.892 7.959 7.558 1.00 0.00 N ATOM 1415 CA GLY A 94 2.329 8.664 8.787 1.00 0.00 C ATOM 1416 C GLY A 94 0.802 8.745 8.717 1.00 0.00 C ATOM 1417 O GLY A 94 0.100 8.306 9.604 1.00 0.00 O ATOM 0 H GLY A 94 3.826 8.276 7.299 1.00 0.00 H new ATOM 0 HA2 GLY A 94 2.628 8.128 9.688 1.00 0.00 H new ATOM 0 HA3 GLY A 94 2.748 9.668 8.859 1.00 0.00 H new ATOM 1421 N ALA A 95 0.385 9.279 7.608 1.00 0.00 N ATOM 1422 CA ALA A 95 -1.055 9.487 7.269 1.00 0.00 C ATOM 1423 C ALA A 95 -1.464 8.331 6.306 1.00 0.00 C ATOM 1424 O ALA A 95 -1.597 8.480 5.111 1.00 0.00 O ATOM 1425 CB ALA A 95 -1.132 10.890 6.631 1.00 0.00 C ATOM 0 H ALA A 95 1.021 9.600 6.878 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.741 9.457 8.116 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.164 11.109 6.357 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.781 11.634 7.345 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.506 10.919 5.739 1.00 0.00 H new ATOM 1431 N GLY A 96 -1.633 7.198 6.928 1.00 0.00 N ATOM 1432 CA GLY A 96 -2.026 5.881 6.276 1.00 0.00 C ATOM 1433 C GLY A 96 -1.875 5.669 4.759 1.00 0.00 C ATOM 1434 O GLY A 96 -2.713 5.036 4.154 1.00 0.00 O ATOM 0 H GLY A 96 -1.508 7.113 7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.448 5.098 6.766 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.074 5.705 6.520 1.00 0.00 H new ATOM 1438 N MET A 97 -0.822 6.159 4.169 1.00 0.00 N ATOM 1439 CA MET A 97 -0.633 5.970 2.684 1.00 0.00 C ATOM 1440 C MET A 97 0.019 4.585 2.349 1.00 0.00 C ATOM 1441 O MET A 97 1.119 4.445 1.832 1.00 0.00 O ATOM 1442 CB MET A 97 0.219 7.203 2.202 1.00 0.00 C ATOM 1443 CG MET A 97 0.407 7.138 0.659 1.00 0.00 C ATOM 1444 SD MET A 97 0.907 8.642 -0.222 1.00 0.00 S ATOM 1445 CE MET A 97 -0.542 8.820 -1.296 1.00 0.00 C ATOM 0 H MET A 97 -0.082 6.681 4.638 1.00 0.00 H new ATOM 0 HA MET A 97 -1.585 5.942 2.153 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.279 8.132 2.479 1.00 0.00 H new ATOM 0 HB3 MET A 97 1.190 7.202 2.697 1.00 0.00 H new ATOM 0 HG2 MET A 97 1.151 6.369 0.449 1.00 0.00 H new ATOM 0 HG3 MET A 97 -0.534 6.798 0.226 1.00 0.00 H new ATOM 0 HE1 MET A 97 -0.255 8.624 -2.329 1.00 0.00 H new ATOM 0 HE2 MET A 97 -1.310 8.109 -0.991 1.00 0.00 H new ATOM 0 HE3 MET A 97 -0.933 9.834 -1.214 1.00 0.00 H new ATOM 1455 N VAL A 98 -0.739 3.588 2.722 1.00 0.00 N ATOM 1456 CA VAL A 98 -0.390 2.136 2.524 1.00 0.00 C ATOM 1457 C VAL A 98 -1.440 1.375 1.649 1.00 0.00 C ATOM 1458 O VAL A 98 -2.632 1.551 1.821 1.00 0.00 O ATOM 1459 CB VAL A 98 -0.274 1.506 3.946 1.00 0.00 C ATOM 1460 CG1 VAL A 98 -1.619 1.563 4.693 1.00 0.00 C ATOM 1461 CG2 VAL A 98 0.135 0.027 3.838 1.00 0.00 C ATOM 0 H VAL A 98 -1.639 3.725 3.183 1.00 0.00 H new ATOM 0 HA VAL A 98 0.548 2.053 1.976 1.00 0.00 H new ATOM 0 HB VAL A 98 0.476 2.078 4.492 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.506 1.116 5.681 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -1.933 2.601 4.798 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.372 1.012 4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.213 -0.403 4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.617 -0.518 3.266 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.099 -0.048 3.334 1.00 0.00 H new ATOM 1471 N GLY A 99 -1.003 0.563 0.728 1.00 0.00 N ATOM 1472 CA GLY A 99 -1.968 -0.216 -0.156 1.00 0.00 C ATOM 1473 C GLY A 99 -1.701 -1.725 -0.236 1.00 0.00 C ATOM 1474 O GLY A 99 -0.620 -2.177 0.071 1.00 0.00 O ATOM 0 H GLY A 99 -0.016 0.392 0.535 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.982 -0.061 0.214 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -1.929 0.198 -1.163 1.00 0.00 H new ATOM 1478 N LYS A 100 -2.685 -2.479 -0.633 1.00 0.00 N ATOM 1479 CA LYS A 100 -2.584 -3.975 -0.772 1.00 0.00 C ATOM 1480 C LYS A 100 -3.089 -4.559 -2.115 1.00 0.00 C ATOM 1481 O LYS A 100 -4.170 -4.255 -2.584 1.00 0.00 O ATOM 1482 CB LYS A 100 -3.393 -4.683 0.349 1.00 0.00 C ATOM 1483 CG LYS A 100 -2.583 -4.772 1.641 1.00 0.00 C ATOM 1484 CD LYS A 100 -3.189 -5.856 2.570 1.00 0.00 C ATOM 1485 CE LYS A 100 -4.642 -5.604 2.892 1.00 0.00 C ATOM 1486 NZ LYS A 100 -5.070 -6.761 3.720 1.00 0.00 N ATOM 0 H LYS A 100 -3.603 -2.109 -0.881 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.512 -4.163 -0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.318 -4.137 0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.673 -5.684 0.022 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.545 -5.014 1.414 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.582 -3.806 2.147 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.091 -6.832 2.094 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.617 -5.894 3.497 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.767 -4.666 3.433 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.239 -5.530 1.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.030 -7.050 3.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.413 -7.554 3.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.067 -6.489 4.724 1.00 0.00 H new ATOM 1500 N ILE A 101 -2.280 -5.387 -2.702 1.00 0.00 N ATOM 1501 CA ILE A 101 -2.644 -6.046 -4.001 1.00 0.00 C ATOM 1502 C ILE A 101 -2.804 -7.548 -3.645 1.00 0.00 C ATOM 1503 O ILE A 101 -2.021 -8.087 -2.882 1.00 0.00 O ATOM 1504 CB ILE A 101 -1.491 -5.827 -5.048 1.00 0.00 C ATOM 1505 CG1 ILE A 101 -2.091 -5.954 -6.461 1.00 0.00 C ATOM 1506 CG2 ILE A 101 -0.406 -6.914 -4.914 1.00 0.00 C ATOM 1507 CD1 ILE A 101 -0.965 -5.937 -7.522 1.00 0.00 C ATOM 0 H ILE A 101 -1.363 -5.646 -2.338 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.552 -5.640 -4.447 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.048 -4.847 -4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.662 -6.879 -6.540 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.786 -5.134 -6.644 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.378 -6.738 -5.650 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.022 -6.879 -3.912 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.850 -7.895 -5.085 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.401 -6.027 -8.517 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -0.413 -5.000 -7.452 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.287 -6.772 -7.346 1.00 0.00 H new ATOM 1519 N THR A 102 -3.781 -8.194 -4.192 1.00 0.00 N ATOM 1520 CA THR A 102 -4.005 -9.657 -3.897 1.00 0.00 C ATOM 1521 C THR A 102 -3.681 -10.457 -5.151 1.00 0.00 C ATOM 1522 O THR A 102 -4.414 -10.327 -6.108 1.00 0.00 O ATOM 1523 CB THR A 102 -5.482 -9.975 -3.545 1.00 0.00 C ATOM 1524 OG1 THR A 102 -6.049 -8.811 -2.969 1.00 0.00 O ATOM 1525 CG2 THR A 102 -5.586 -10.942 -2.395 1.00 0.00 C ATOM 0 H THR A 102 -4.451 -7.782 -4.841 1.00 0.00 H new ATOM 0 HA THR A 102 -3.372 -9.913 -3.048 1.00 0.00 H new ATOM 0 HB THR A 102 -5.949 -10.347 -4.457 1.00 0.00 H new ATOM 0 HG1 THR A 102 -6.973 -8.709 -3.280 1.00 0.00 H new ATOM 0 HG21 THR A 102 -6.636 -11.139 -2.179 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.088 -11.875 -2.658 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.109 -10.512 -1.514 1.00 0.00 H new ATOM 1533 N VAL A 103 -2.645 -11.248 -5.170 1.00 0.00 N ATOM 1534 CA VAL A 103 -2.354 -12.027 -6.427 1.00 0.00 C ATOM 1535 C VAL A 103 -3.283 -13.261 -6.426 1.00 0.00 C ATOM 1536 O VAL A 103 -3.482 -13.877 -5.394 1.00 0.00 O ATOM 1537 CB VAL A 103 -0.855 -12.458 -6.418 1.00 0.00 C ATOM 1538 CG1 VAL A 103 -0.579 -13.422 -7.589 1.00 0.00 C ATOM 1539 CG2 VAL A 103 0.083 -11.270 -6.662 1.00 0.00 C ATOM 0 H VAL A 103 -1.996 -11.394 -4.396 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.531 -11.432 -7.323 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.675 -12.908 -5.442 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.470 -13.719 -7.576 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.208 -14.307 -7.488 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.804 -12.923 -8.532 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.117 -11.614 -6.648 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -0.138 -10.825 -7.632 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.062 -10.525 -5.880 1.00 0.00 H new ATOM 1549 N ALA A 104 -3.802 -13.564 -7.578 1.00 0.00 N ATOM 1550 CA ALA A 104 -4.732 -14.723 -7.778 1.00 0.00 C ATOM 1551 C ALA A 104 -4.184 -15.811 -8.762 1.00 0.00 C ATOM 1552 O ALA A 104 -2.992 -15.901 -8.986 1.00 0.00 O ATOM 1553 CB ALA A 104 -6.057 -14.072 -8.253 1.00 0.00 C ATOM 0 H ALA A 104 -3.615 -13.036 -8.431 1.00 0.00 H new ATOM 0 HA ALA A 104 -4.865 -15.294 -6.859 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.802 -14.848 -8.426 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.419 -13.385 -7.488 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.882 -13.525 -9.179 1.00 0.00 H new ATOM 1559 N GLY A 105 -5.087 -16.591 -9.286 1.00 0.00 N ATOM 1560 CA GLY A 105 -4.802 -17.702 -10.258 1.00 0.00 C ATOM 1561 C GLY A 105 -5.786 -17.559 -11.416 1.00 0.00 C ATOM 1562 O GLY A 105 -5.322 -17.557 -12.541 1.00 0.00 O ATOM 1563 OXT GLY A 105 -6.953 -17.454 -11.085 1.00 0.00 O ATOM 0 H GLY A 105 -6.079 -16.500 -9.067 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.775 -17.643 -10.618 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.916 -18.673 -9.775 1.00 0.00 H new TER 1567 GLY A 105 HETATM 1568 CU CU A 106 2.780 8.809 -1.116 1.00 0.00 CU