USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 808 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 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 36 SER OG : rot -130:sc= -2.84 USER MOD Set 2.1: A 27 CYS SG : rot -175:sc= -6.15! USER MOD Set 2.2: A 62 TYR OH : rot -32:sc= -0.316 USER MOD Single : A 4 TYR OH : rot 70:sc= -4.02! USER MOD Single : A 6 THR OG1 : rot 80:sc= 0.102 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 111:sc= 0.103 USER MOD Single : A 13 ASN : amide:sc= -1.98 X(o=-2,f=-2.4) USER MOD Single : A 14 ASN : amide:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 22 GLN :FLIP amide:sc= 0.0374 F(o=-0.67,f=0.037) USER MOD Single : A 24 LYS NZ :NH3+ -139:sc= 0.534 (180deg=-1.26) USER MOD Single : A 25 SER OG : rot 86:sc= 1.14 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 10:sc= 0.457! USER MOD Single : A 41 THR OG1 : rot 150:sc= 0.232 USER MOD Single : A 43 SER OG : rot 180:sc= -0.526 USER MOD Single : A 47 SER OG : rot 96:sc= 1.15 USER MOD Single : A 51 SER OG : rot 85:sc= 1.16 USER MOD Single : A 52 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-2.2!) USER MOD Single : A 53 ASN : amide:sc= -0.267 X(o=-0.27,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -166:sc=-0.00867 (180deg=-0.119) USER MOD Single : A 59 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.47) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -5.67! C(o=-5.7!,f=-6.3!) USER MOD Single : A 70 SER OG : rot -18:sc= -0.493 USER MOD Single : A 77 THR OG1 : rot 61:sc= 1.12 USER MOD Single : A 78 MET CE :methyl -110:sc= -1.48! (180deg=-1.88) USER MOD Single : A 82 TYR OH : rot -29:sc= -0.994 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0694 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 153:sc= 0.377 (180deg=0.115) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= -0.294 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -4.387 15.101 8.704 1.00 35.11 N ATOM 21 CA ALA A 2 -5.692 14.458 8.798 1.00 35.11 C ATOM 22 C ALA A 2 -5.830 13.369 7.753 1.00 35.11 C ATOM 23 O ALA A 2 -6.374 12.300 8.027 1.00 35.11 O ATOM 24 CB ALA A 2 -6.811 15.480 8.663 1.00 35.11 C ATOM 0 HA ALA A 2 -5.772 13.997 9.783 1.00 35.11 H new ATOM 0 HB1 ALA A 2 -7.775 14.976 8.736 1.00 35.11 H new ATOM 0 HB2 ALA A 2 -6.727 16.219 9.459 1.00 35.11 H new ATOM 0 HB3 ALA A 2 -6.735 15.978 7.696 1.00 35.11 H new ATOM 30 N GLU A 3 -5.298 13.625 6.565 1.00 71.76 N ATOM 31 CA GLU A 3 -5.329 12.638 5.500 1.00 71.76 C ATOM 32 C GLU A 3 -4.541 11.426 5.943 1.00 71.76 C ATOM 33 O GLU A 3 -4.970 10.286 5.778 1.00 71.76 O ATOM 34 CB GLU A 3 -4.724 13.223 4.232 1.00 71.76 C ATOM 35 CG GLU A 3 -5.473 14.435 3.738 1.00 71.76 C ATOM 36 CD GLU A 3 -6.843 14.098 3.185 1.00 71.76 C ATOM 37 OE1 GLU A 3 -7.091 12.908 2.892 1.00 71.76 O ATOM 38 OE2 GLU A 3 -7.670 15.023 3.043 1.00 71.76 O ATOM 0 H GLU A 3 -4.843 14.504 6.318 1.00 71.76 H new ATOM 0 HA GLU A 3 -6.359 12.351 5.288 1.00 71.76 H new ATOM 0 HB2 GLU A 3 -3.685 13.494 4.421 1.00 71.76 H new ATOM 0 HB3 GLU A 3 -4.718 12.462 3.452 1.00 71.76 H new ATOM 0 HG2 GLU A 3 -5.582 15.147 4.556 1.00 71.76 H new ATOM 0 HG3 GLU A 3 -4.885 14.928 2.963 1.00 71.76 H new ATOM 45 N TYR A 4 -3.381 11.696 6.529 1.00112.05 N ATOM 46 CA TYR A 4 -2.525 10.643 7.024 1.00112.05 C ATOM 47 C TYR A 4 -3.219 9.874 8.140 1.00112.05 C ATOM 48 O TYR A 4 -3.165 8.644 8.177 1.00112.05 O ATOM 49 CB TYR A 4 -1.188 11.203 7.496 1.00112.05 C ATOM 50 CG TYR A 4 -0.185 10.127 7.790 1.00112.05 C ATOM 51 CD1 TYR A 4 0.232 9.255 6.794 1.00112.05 C ATOM 52 CD2 TYR A 4 0.334 9.971 9.062 1.00112.05 C ATOM 53 CE1 TYR A 4 1.144 8.257 7.059 1.00112.05 C ATOM 54 CE2 TYR A 4 1.244 8.977 9.337 1.00112.05 C ATOM 55 CZ TYR A 4 1.648 8.120 8.331 1.00112.05 C ATOM 56 OH TYR A 4 2.555 7.124 8.601 1.00112.05 O ATOM 0 H TYR A 4 -3.018 12.639 6.670 1.00112.05 H new ATOM 0 HA TYR A 4 -2.325 9.952 6.206 1.00112.05 H new ATOM 0 HB2 TYR A 4 -0.787 11.870 6.732 1.00112.05 H new ATOM 0 HB3 TYR A 4 -1.345 11.803 8.392 1.00112.05 H new ATOM 0 HD1 TYR A 4 -0.165 9.361 5.795 1.00112.05 H new ATOM 0 HD2 TYR A 4 0.020 10.639 9.851 1.00112.05 H new ATOM 0 HE1 TYR A 4 1.461 7.587 6.273 1.00112.05 H new ATOM 0 HE2 TYR A 4 1.641 8.867 10.335 1.00112.05 H new ATOM 0 HH TYR A 4 3.407 7.330 8.164 1.00112.05 H new ATOM 66 N GLY A 5 -3.900 10.596 9.041 1.00 23.54 N ATOM 67 CA GLY A 5 -4.615 9.930 10.118 1.00 23.54 C ATOM 68 C GLY A 5 -5.643 8.970 9.560 1.00 23.54 C ATOM 69 O GLY A 5 -5.776 7.835 10.017 1.00 23.54 O ATOM 0 H GLY A 5 -3.966 11.614 9.041 1.00 23.54 H new ATOM 0 HA2 GLY A 5 -3.910 9.390 10.750 1.00 23.54 H new ATOM 0 HA3 GLY A 5 -5.106 10.671 10.749 1.00 23.54 H new ATOM 73 N THR A 6 -6.339 9.435 8.530 1.00 90.84 N ATOM 74 CA THR A 6 -7.333 8.647 7.839 1.00 90.84 C ATOM 75 C THR A 6 -6.659 7.544 7.045 1.00 90.84 C ATOM 76 O THR A 6 -7.156 6.426 6.987 1.00 90.84 O ATOM 77 CB THR A 6 -8.174 9.553 6.918 1.00 90.84 C ATOM 78 OG1 THR A 6 -8.918 10.492 7.702 1.00 90.84 O ATOM 79 CG2 THR A 6 -9.118 8.747 6.051 1.00 90.84 C ATOM 0 H THR A 6 -6.224 10.376 8.154 1.00 90.84 H new ATOM 0 HA THR A 6 -7.999 8.186 8.568 1.00 90.84 H new ATOM 0 HB THR A 6 -7.488 10.086 6.260 1.00 90.84 H new ATOM 0 HG1 THR A 6 -8.332 11.230 7.972 1.00 90.84 H new ATOM 0 HG21 THR A 6 -9.693 9.421 5.416 1.00 90.84 H new ATOM 0 HG22 THR A 6 -8.544 8.062 5.427 1.00 90.84 H new ATOM 0 HG23 THR A 6 -9.797 8.177 6.685 1.00 90.84 H new ATOM 87 N LEU A 7 -5.513 7.854 6.452 1.00 63.89 N ATOM 88 CA LEU A 7 -4.767 6.861 5.690 1.00 63.89 C ATOM 89 C LEU A 7 -4.507 5.635 6.555 1.00 63.89 C ATOM 90 O LEU A 7 -4.885 4.516 6.212 1.00 63.89 O ATOM 91 CB LEU A 7 -3.436 7.448 5.217 1.00 63.89 C ATOM 92 CG LEU A 7 -2.451 6.421 4.656 1.00 63.89 C ATOM 93 CD1 LEU A 7 -3.089 5.636 3.521 1.00 63.89 C ATOM 94 CD2 LEU A 7 -1.152 7.086 4.230 1.00 63.89 C ATOM 0 H LEU A 7 -5.082 8.778 6.483 1.00 63.89 H new ATOM 0 HA LEU A 7 -5.356 6.571 4.820 1.00 63.89 H new ATOM 0 HB2 LEU A 7 -3.636 8.197 4.450 1.00 63.89 H new ATOM 0 HB3 LEU A 7 -2.965 7.965 6.053 1.00 63.89 H new ATOM 0 HG LEU A 7 -2.201 5.712 5.445 1.00 63.89 H new ATOM 0 HD11 LEU A 7 -2.374 4.910 3.134 1.00 63.89 H new ATOM 0 HD12 LEU A 7 -3.972 5.114 3.891 1.00 63.89 H new ATOM 0 HD13 LEU A 7 -3.379 6.320 2.724 1.00 63.89 H new ATOM 0 HD21 LEU A 7 -0.470 6.333 3.835 1.00 63.89 H new ATOM 0 HD22 LEU A 7 -1.359 7.828 3.459 1.00 63.89 H new ATOM 0 HD23 LEU A 7 -0.694 7.575 5.090 1.00 63.89 H new ATOM 106 N LEU A 8 -3.877 5.878 7.694 1.00 67.93 N ATOM 107 CA LEU A 8 -3.579 4.823 8.638 1.00 67.93 C ATOM 108 C LEU A 8 -4.864 4.165 9.113 1.00 67.93 C ATOM 109 O LEU A 8 -4.936 2.954 9.262 1.00 67.93 O ATOM 110 CB LEU A 8 -2.790 5.384 9.819 1.00 67.93 C ATOM 111 CG LEU A 8 -1.258 5.394 9.655 1.00 67.93 C ATOM 112 CD1 LEU A 8 -0.833 5.713 8.223 1.00 67.93 C ATOM 113 CD2 LEU A 8 -0.628 6.382 10.626 1.00 67.93 C ATOM 0 H LEU A 8 -3.562 6.804 7.984 1.00 67.93 H new ATOM 0 HA LEU A 8 -2.969 4.066 8.144 1.00 67.93 H new ATOM 0 HB2 LEU A 8 -3.124 6.405 10.003 1.00 67.93 H new ATOM 0 HB3 LEU A 8 -3.038 4.803 10.707 1.00 67.93 H new ATOM 0 HG LEU A 8 -0.902 4.389 9.883 1.00 67.93 H new ATOM 0 HD11 LEU A 8 0.255 5.709 8.157 1.00 67.93 H new ATOM 0 HD12 LEU A 8 -1.241 4.962 7.547 1.00 67.93 H new ATOM 0 HD13 LEU A 8 -1.210 6.697 7.942 1.00 67.93 H new ATOM 0 HD21 LEU A 8 0.454 6.378 10.498 1.00 67.93 H new ATOM 0 HD22 LEU A 8 -1.013 7.382 10.428 1.00 67.93 H new ATOM 0 HD23 LEU A 8 -0.874 6.094 11.648 1.00 67.93 H new ATOM 125 N GLN A 9 -5.892 4.976 9.315 1.00 42.21 N ATOM 126 CA GLN A 9 -7.184 4.479 9.743 1.00 42.21 C ATOM 127 C GLN A 9 -7.785 3.595 8.647 1.00 42.21 C ATOM 128 O GLN A 9 -8.478 2.619 8.932 1.00 42.21 O ATOM 129 CB GLN A 9 -8.060 5.701 10.080 1.00 42.21 C ATOM 130 CG GLN A 9 -9.561 5.507 9.969 1.00 42.21 C ATOM 131 CD GLN A 9 -10.293 5.819 11.262 1.00 42.21 C ATOM 132 OE1 GLN A 9 -10.809 6.921 11.448 1.00 42.21 O ATOM 133 NE2 GLN A 9 -10.336 4.846 12.166 1.00 42.21 N ATOM 0 H GLN A 9 -5.852 5.987 9.187 1.00 42.21 H new ATOM 0 HA GLN A 9 -7.106 3.853 10.632 1.00 42.21 H new ATOM 0 HB2 GLN A 9 -7.831 6.015 11.098 1.00 42.21 H new ATOM 0 HB3 GLN A 9 -7.772 6.520 9.421 1.00 42.21 H new ATOM 0 HG2 GLN A 9 -9.947 6.146 9.175 1.00 42.21 H new ATOM 0 HG3 GLN A 9 -9.769 4.477 9.679 1.00 42.21 H new ATOM 0 HE21 GLN A 9 -9.895 3.948 11.970 1.00 42.21 H new ATOM 0 HE22 GLN A 9 -10.810 4.997 13.056 1.00 42.21 H new ATOM 142 N ASP A 10 -7.520 3.953 7.397 1.00 76.39 N ATOM 143 CA ASP A 10 -8.040 3.201 6.263 1.00 76.39 C ATOM 144 C ASP A 10 -7.515 1.773 6.225 1.00 76.39 C ATOM 145 O ASP A 10 -8.312 0.836 6.289 1.00 76.39 O ATOM 146 CB ASP A 10 -7.739 3.925 4.948 1.00 76.39 C ATOM 147 CG ASP A 10 -8.582 5.175 4.761 1.00 76.39 C ATOM 148 OD1 ASP A 10 -9.514 5.392 5.566 1.00 76.39 O ATOM 149 OD2 ASP A 10 -8.311 5.934 3.808 1.00 76.39 O ATOM 0 H ASP A 10 -6.948 4.759 7.143 1.00 76.39 H new ATOM 0 HA ASP A 10 -9.121 3.140 6.390 1.00 76.39 H new ATOM 0 HB2 ASP A 10 -6.684 4.196 4.920 1.00 76.39 H new ATOM 0 HB3 ASP A 10 -7.915 3.245 4.115 1.00 76.39 H new ATOM 154 N LEU A 11 -6.190 1.571 6.144 1.00140.58 N ATOM 155 CA LEU A 11 -5.689 0.199 6.135 1.00140.58 C ATOM 156 C LEU A 11 -6.019 -0.459 7.458 1.00140.58 C ATOM 157 O LEU A 11 -6.308 -1.646 7.496 1.00140.58 O ATOM 158 CB LEU A 11 -4.205 0.059 5.727 1.00140.58 C ATOM 159 CG LEU A 11 -3.112 0.581 6.662 1.00140.58 C ATOM 160 CD1 LEU A 11 -3.171 2.089 6.760 1.00140.58 C ATOM 161 CD2 LEU A 11 -3.176 -0.091 8.030 1.00140.58 C ATOM 0 H LEU A 11 -5.482 2.303 6.087 1.00140.58 H new ATOM 0 HA LEU A 11 -6.205 -0.337 5.338 1.00140.58 H new ATOM 0 HB2 LEU A 11 -4.012 -1.000 5.559 1.00140.58 H new ATOM 0 HB3 LEU A 11 -4.082 0.562 4.768 1.00140.58 H new ATOM 0 HG LEU A 11 -2.144 0.319 6.235 1.00140.58 H new ATOM 0 HD11 LEU A 11 -2.386 2.441 7.429 1.00140.58 H new ATOM 0 HD12 LEU A 11 -3.027 2.524 5.771 1.00140.58 H new ATOM 0 HD13 LEU A 11 -4.143 2.390 7.150 1.00140.58 H new ATOM 0 HD21 LEU A 11 -2.385 0.305 8.667 1.00140.58 H new ATOM 0 HD22 LEU A 11 -4.145 0.108 8.488 1.00140.58 H new ATOM 0 HD23 LEU A 11 -3.044 -1.167 7.913 1.00140.58 H new ATOM 173 N THR A 12 -6.041 0.338 8.535 1.00103.83 N ATOM 174 CA THR A 12 -6.416 -0.173 9.839 1.00103.83 C ATOM 175 C THR A 12 -7.848 -0.703 9.772 1.00103.83 C ATOM 176 O THR A 12 -8.171 -1.736 10.349 1.00103.83 O ATOM 177 CB THR A 12 -6.300 0.888 10.948 1.00103.83 C ATOM 178 OG1 THR A 12 -4.959 1.362 11.040 1.00103.83 O ATOM 179 CG2 THR A 12 -6.689 0.300 12.278 1.00103.83 C ATOM 0 H THR A 12 -5.804 1.330 8.519 1.00103.83 H new ATOM 0 HA THR A 12 -5.722 -0.973 10.095 1.00103.83 H new ATOM 0 HB THR A 12 -6.969 1.711 10.697 1.00103.83 H new ATOM 0 HG1 THR A 12 -4.920 2.293 10.737 1.00103.83 H new ATOM 0 HG21 THR A 12 -6.602 1.062 13.052 1.00103.83 H new ATOM 0 HG22 THR A 12 -7.719 -0.054 12.232 1.00103.83 H new ATOM 0 HG23 THR A 12 -6.028 -0.534 12.514 1.00103.83 H new ATOM 187 N ASN A 13 -8.694 -0.009 9.014 1.00 36.97 N ATOM 188 CA ASN A 13 -10.071 -0.449 8.827 1.00 36.97 C ATOM 189 C ASN A 13 -10.075 -1.786 8.088 1.00 36.97 C ATOM 190 O ASN A 13 -10.938 -2.634 8.314 1.00 36.97 O ATOM 191 CB ASN A 13 -10.883 0.590 8.050 1.00 36.97 C ATOM 192 CG ASN A 13 -11.111 1.861 8.847 1.00 36.97 C ATOM 193 OD1 ASN A 13 -11.225 1.826 10.072 1.00 36.97 O ATOM 194 ND2 ASN A 13 -11.177 2.990 8.152 1.00 36.97 N ATOM 0 H ASN A 13 -8.452 0.852 8.524 1.00 36.97 H new ATOM 0 HA ASN A 13 -10.537 -0.569 9.805 1.00 36.97 H new ATOM 0 HB2 ASN A 13 -10.364 0.834 7.123 1.00 36.97 H new ATOM 0 HB3 ASN A 13 -11.846 0.161 7.772 1.00 36.97 H new ATOM 0 HD21 ASN A 13 -11.328 3.877 8.633 1.00 36.97 H new ATOM 0 HD22 ASN A 13 -11.077 2.971 7.137 1.00 36.97 H new ATOM 201 N ASN A 14 -9.075 -1.970 7.224 1.00 84.59 N ATOM 202 CA ASN A 14 -8.925 -3.209 6.468 1.00 84.59 C ATOM 203 C ASN A 14 -7.938 -4.156 7.158 1.00 84.59 C ATOM 204 O ASN A 14 -7.613 -5.219 6.628 1.00 84.59 O ATOM 205 CB ASN A 14 -8.450 -2.899 5.047 1.00 84.59 C ATOM 206 CG ASN A 14 -9.415 -1.996 4.302 1.00 84.59 C ATOM 207 OD1 ASN A 14 -10.512 -2.412 3.932 1.00 84.59 O ATOM 208 ND2 ASN A 14 -9.012 -0.748 4.085 1.00 84.59 N ATOM 0 H ASN A 14 -8.356 -1.272 7.032 1.00 84.59 H new ATOM 0 HA ASN A 14 -9.896 -3.703 6.423 1.00 84.59 H new ATOM 0 HB2 ASN A 14 -7.470 -2.424 5.089 1.00 84.59 H new ATOM 0 HB3 ASN A 14 -8.329 -3.831 4.495 1.00 84.59 H new ATOM 0 HD21 ASN A 14 -9.621 -0.093 3.594 1.00 84.59 H new ATOM 0 HD22 ASN A 14 -8.094 -0.445 4.409 1.00 84.59 H new ATOM 215 N ILE A 15 -7.445 -3.750 8.329 1.00120.44 N ATOM 216 CA ILE A 15 -6.484 -4.529 9.075 1.00120.44 C ATOM 217 C ILE A 15 -7.153 -5.483 10.067 1.00120.44 C ATOM 218 O ILE A 15 -7.840 -5.057 10.996 1.00120.44 O ATOM 219 CB ILE A 15 -5.484 -3.559 9.783 1.00120.44 C ATOM 220 CG1 ILE A 15 -4.082 -4.083 9.678 1.00120.44 C ATOM 221 CG2 ILE A 15 -5.807 -3.258 11.244 1.00120.44 C ATOM 222 CD1 ILE A 15 -3.892 -5.422 10.338 1.00120.44 C ATOM 0 H ILE A 15 -7.707 -2.872 8.777 1.00120.44 H new ATOM 0 HA ILE A 15 -5.935 -5.166 8.381 1.00120.44 H new ATOM 0 HB ILE A 15 -5.585 -2.613 9.251 1.00120.44 H new ATOM 0 HG12 ILE A 15 -3.810 -4.164 8.625 1.00120.44 H new ATOM 0 HG13 ILE A 15 -3.399 -3.364 10.130 1.00120.44 H new ATOM 0 HG21 ILE A 15 -5.058 -2.577 11.649 1.00120.44 H new ATOM 0 HG22 ILE A 15 -6.792 -2.796 11.311 1.00120.44 H new ATOM 0 HG23 ILE A 15 -5.802 -4.186 11.816 1.00120.44 H new ATOM 0 HD11 ILE A 15 -2.856 -5.740 10.224 1.00120.44 H new ATOM 0 HD12 ILE A 15 -4.132 -5.342 11.398 1.00120.44 H new ATOM 0 HD13 ILE A 15 -4.550 -6.155 9.871 1.00120.44 H new ATOM 234 N THR A 16 -6.923 -6.775 9.880 1.00158.94 N ATOM 235 CA THR A 16 -7.469 -7.765 10.781 1.00158.94 C ATOM 236 C THR A 16 -6.502 -7.996 11.908 1.00158.94 C ATOM 237 O THR A 16 -5.303 -7.752 11.767 1.00158.94 O ATOM 238 CB THR A 16 -7.707 -9.117 10.101 1.00158.94 C ATOM 239 OG1 THR A 16 -6.469 -9.661 9.636 1.00158.94 O ATOM 240 CG2 THR A 16 -8.675 -8.985 8.954 1.00158.94 C ATOM 0 H THR A 16 -6.365 -7.155 9.116 1.00158.94 H new ATOM 0 HA THR A 16 -8.425 -7.377 11.131 1.00158.94 H new ATOM 0 HB THR A 16 -8.141 -9.793 10.838 1.00158.94 H new ATOM 0 HG1 THR A 16 -6.633 -10.525 9.204 1.00158.94 H new ATOM 0 HG21 THR A 16 -8.825 -9.960 8.490 1.00158.94 H new ATOM 0 HG22 THR A 16 -9.629 -8.609 9.324 1.00158.94 H new ATOM 0 HG23 THR A 16 -8.273 -8.290 8.217 1.00158.94 H new ATOM 248 N LEU A 17 -7.005 -8.506 13.013 1.00 50.69 N ATOM 249 CA LEU A 17 -6.143 -8.807 14.142 1.00 50.69 C ATOM 250 C LEU A 17 -5.103 -9.838 13.715 1.00 50.69 C ATOM 251 O LEU A 17 -3.947 -9.792 14.137 1.00 50.69 O ATOM 252 CB LEU A 17 -6.948 -9.309 15.338 1.00 50.69 C ATOM 253 CG LEU A 17 -6.128 -9.532 16.609 1.00 50.69 C ATOM 254 CD1 LEU A 17 -5.366 -8.268 16.981 1.00 50.69 C ATOM 255 CD2 LEU A 17 -7.035 -9.966 17.750 1.00 50.69 C ATOM 0 H LEU A 17 -7.992 -8.719 13.155 1.00 50.69 H new ATOM 0 HA LEU A 17 -5.639 -7.893 14.456 1.00 50.69 H new ATOM 0 HB2 LEU A 17 -7.740 -8.591 15.553 1.00 50.69 H new ATOM 0 HB3 LEU A 17 -7.433 -10.246 15.065 1.00 50.69 H new ATOM 0 HG LEU A 17 -5.403 -10.324 16.422 1.00 50.69 H new ATOM 0 HD11 LEU A 17 -4.788 -8.445 17.888 1.00 50.69 H new ATOM 0 HD12 LEU A 17 -4.692 -7.997 16.168 1.00 50.69 H new ATOM 0 HD13 LEU A 17 -6.072 -7.455 17.153 1.00 50.69 H new ATOM 0 HD21 LEU A 17 -6.439 -10.122 18.649 1.00 50.69 H new ATOM 0 HD22 LEU A 17 -7.780 -9.192 17.937 1.00 50.69 H new ATOM 0 HD23 LEU A 17 -7.537 -10.896 17.482 1.00 50.69 H new ATOM 267 N GLU A 18 -5.532 -10.757 12.847 1.00107.93 N ATOM 268 CA GLU A 18 -4.647 -11.786 12.327 1.00107.93 C ATOM 269 C GLU A 18 -3.623 -11.174 11.385 1.00107.93 C ATOM 270 O GLU A 18 -2.432 -11.474 11.465 1.00107.93 O ATOM 271 CB GLU A 18 -5.456 -12.860 11.601 1.00107.93 C ATOM 272 CG GLU A 18 -6.306 -13.697 12.537 1.00107.93 C ATOM 273 CD GLU A 18 -5.475 -14.500 13.519 1.00107.93 C ATOM 274 OE1 GLU A 18 -4.272 -14.704 13.251 1.00107.93 O ATOM 275 OE2 GLU A 18 -6.028 -14.927 14.554 1.00107.93 O ATOM 0 H GLU A 18 -6.488 -10.804 12.493 1.00107.93 H new ATOM 0 HA GLU A 18 -4.121 -12.248 13.162 1.00107.93 H new ATOM 0 HB2 GLU A 18 -6.101 -12.384 10.862 1.00107.93 H new ATOM 0 HB3 GLU A 18 -4.775 -13.513 11.056 1.00107.93 H new ATOM 0 HG2 GLU A 18 -6.983 -13.044 13.088 1.00107.93 H new ATOM 0 HG3 GLU A 18 -6.925 -14.376 11.950 1.00107.93 H new ATOM 282 N ASP A 19 -4.092 -10.295 10.499 1.00 35.40 N ATOM 283 CA ASP A 19 -3.210 -9.621 9.556 1.00 35.40 C ATOM 284 C ASP A 19 -2.160 -8.809 10.295 1.00 35.40 C ATOM 285 O ASP A 19 -0.996 -8.774 9.900 1.00 35.40 O ATOM 286 CB ASP A 19 -4.006 -8.721 8.606 1.00 35.40 C ATOM 287 CG ASP A 19 -4.743 -9.502 7.535 1.00 35.40 C ATOM 288 OD1 ASP A 19 -4.512 -10.726 7.424 1.00 35.40 O ATOM 289 OD2 ASP A 19 -5.551 -8.890 6.805 1.00 35.40 O ATOM 0 H ASP A 19 -5.075 -10.036 10.417 1.00 35.40 H new ATOM 0 HA ASP A 19 -2.708 -10.384 8.962 1.00 35.40 H new ATOM 0 HB2 ASP A 19 -4.724 -8.137 9.182 1.00 35.40 H new ATOM 0 HB3 ASP A 19 -3.328 -8.013 8.131 1.00 35.40 H new ATOM 294 N LEU A 20 -2.576 -8.162 11.383 1.00 45.47 N ATOM 295 CA LEU A 20 -1.660 -7.357 12.182 1.00 45.47 C ATOM 296 C LEU A 20 -0.487 -8.194 12.660 1.00 45.47 C ATOM 297 O LEU A 20 0.666 -7.797 12.515 1.00 45.47 O ATOM 298 CB LEU A 20 -2.379 -6.733 13.382 1.00 45.47 C ATOM 299 CG LEU A 20 -2.491 -5.209 13.349 1.00 45.47 C ATOM 300 CD1 LEU A 20 -3.030 -4.691 14.676 1.00 45.47 C ATOM 301 CD2 LEU A 20 -1.147 -4.558 13.005 1.00 45.47 C ATOM 0 H LEU A 20 -3.536 -8.180 11.728 1.00 45.47 H new ATOM 0 HA LEU A 20 -1.285 -6.554 11.547 1.00 45.47 H new ATOM 0 HB2 LEU A 20 -3.382 -7.154 13.444 1.00 45.47 H new ATOM 0 HB3 LEU A 20 -1.854 -7.024 14.292 1.00 45.47 H new ATOM 0 HG LEU A 20 -3.193 -4.936 12.562 1.00 45.47 H new ATOM 0 HD11 LEU A 20 -3.105 -3.604 14.639 1.00 45.47 H new ATOM 0 HD12 LEU A 20 -4.017 -5.117 14.859 1.00 45.47 H new ATOM 0 HD13 LEU A 20 -2.355 -4.981 15.481 1.00 45.47 H new ATOM 0 HD21 LEU A 20 -1.261 -3.474 12.990 1.00 45.47 H new ATOM 0 HD22 LEU A 20 -0.406 -4.834 13.755 1.00 45.47 H new ATOM 0 HD23 LEU A 20 -0.816 -4.902 12.025 1.00 45.47 H new ATOM 313 N GLU A 21 -0.787 -9.365 13.208 1.00 91.26 N ATOM 314 CA GLU A 21 0.257 -10.259 13.683 1.00 91.26 C ATOM 315 C GLU A 21 1.194 -10.622 12.538 1.00 91.26 C ATOM 316 O GLU A 21 2.371 -10.902 12.755 1.00 91.26 O ATOM 317 CB GLU A 21 -0.336 -11.525 14.295 1.00 91.26 C ATOM 318 CG GLU A 21 -1.258 -11.262 15.477 1.00 91.26 C ATOM 319 CD GLU A 21 -1.771 -12.539 16.120 1.00 91.26 C ATOM 320 OE1 GLU A 21 -1.513 -13.630 15.570 1.00 91.26 O ATOM 321 OE2 GLU A 21 -2.436 -12.445 17.174 1.00 91.26 O ATOM 0 H GLU A 21 -1.737 -9.714 13.333 1.00 91.26 H new ATOM 0 HA GLU A 21 0.820 -9.740 14.459 1.00 91.26 H new ATOM 0 HB2 GLU A 21 -0.890 -12.064 13.526 1.00 91.26 H new ATOM 0 HB3 GLU A 21 0.476 -12.176 14.618 1.00 91.26 H new ATOM 0 HG2 GLU A 21 -0.725 -10.674 16.224 1.00 91.26 H new ATOM 0 HG3 GLU A 21 -2.105 -10.662 15.144 1.00 91.26 H new ATOM 328 N GLN A 22 0.674 -10.574 11.310 1.00 87.96 N ATOM 329 CA GLN A 22 1.497 -10.860 10.148 1.00 87.96 C ATOM 330 C GLN A 22 2.426 -9.686 9.935 1.00 87.96 C ATOM 331 O GLN A 22 3.624 -9.854 9.702 1.00 87.96 O ATOM 332 CB GLN A 22 0.652 -11.122 8.901 1.00 87.96 C ATOM 333 CG GLN A 22 1.477 -11.600 7.717 1.00 87.96 C ATOM 334 CD GLN A 22 0.622 -12.072 6.556 1.00 87.96 C ATOM 335 OE1 GLN A 22 0.380 -11.185 5.599 1.00 87.96 O flip ATOM 336 NE2 GLN A 22 0.185 -13.222 6.520 1.00 87.96 N flip ATOM 0 H GLN A 22 -0.298 -10.343 11.102 1.00 87.96 H new ATOM 0 HA GLN A 22 2.070 -11.770 10.325 1.00 87.96 H new ATOM 0 HB2 GLN A 22 -0.107 -11.869 9.133 1.00 87.96 H new ATOM 0 HB3 GLN A 22 0.126 -10.208 8.626 1.00 87.96 H new ATOM 0 HG2 GLN A 22 2.124 -10.790 7.380 1.00 87.96 H new ATOM 0 HG3 GLN A 22 2.127 -12.414 8.038 1.00 87.96 H new ATOM 0 HE21 GLN A 22 0.396 -13.872 7.278 1.00 87.96 H new ATOM 0 HE22 GLN A 22 -0.388 -13.525 5.732 1.00 87.96 H new ATOM 345 N LEU A 23 1.871 -8.481 10.086 1.00 99.30 N ATOM 346 CA LEU A 23 2.650 -7.265 9.985 1.00 99.30 C ATOM 347 C LEU A 23 3.695 -7.295 11.088 1.00 99.30 C ATOM 348 O LEU A 23 4.874 -7.077 10.855 1.00 99.30 O ATOM 349 CB LEU A 23 1.738 -6.041 10.164 1.00 99.30 C ATOM 350 CG LEU A 23 0.550 -5.958 9.204 1.00 99.30 C ATOM 351 CD1 LEU A 23 -0.242 -4.673 9.432 1.00 99.30 C ATOM 352 CD2 LEU A 23 1.016 -6.056 7.755 1.00 99.30 C ATOM 0 H LEU A 23 0.881 -8.331 10.279 1.00 99.30 H new ATOM 0 HA LEU A 23 3.126 -7.197 9.007 1.00 99.30 H new ATOM 0 HB2 LEU A 23 1.358 -6.039 11.186 1.00 99.30 H new ATOM 0 HB3 LEU A 23 2.341 -5.140 10.047 1.00 99.30 H new ATOM 0 HG LEU A 23 -0.108 -6.803 9.406 1.00 99.30 H new ATOM 0 HD11 LEU A 23 -1.082 -4.635 8.738 1.00 99.30 H new ATOM 0 HD12 LEU A 23 -0.616 -4.653 10.456 1.00 99.30 H new ATOM 0 HD13 LEU A 23 0.405 -3.812 9.265 1.00 99.30 H new ATOM 0 HD21 LEU A 23 0.154 -5.995 7.091 1.00 99.30 H new ATOM 0 HD22 LEU A 23 1.701 -5.237 7.537 1.00 99.30 H new ATOM 0 HD23 LEU A 23 1.526 -7.007 7.600 1.00 99.30 H new ATOM 364 N LYS A 24 3.223 -7.625 12.289 1.00114.71 N ATOM 365 CA LYS A 24 4.076 -7.736 13.470 1.00114.71 C ATOM 366 C LYS A 24 5.183 -8.757 13.244 1.00114.71 C ATOM 367 O LYS A 24 6.331 -8.538 13.628 1.00114.71 O ATOM 368 CB LYS A 24 3.244 -8.166 14.682 1.00114.71 C ATOM 369 CG LYS A 24 2.242 -7.122 15.145 1.00114.71 C ATOM 370 CD LYS A 24 1.519 -7.565 16.413 1.00114.71 C ATOM 371 CE LYS A 24 0.020 -7.696 16.194 1.00114.71 C ATOM 372 NZ LYS A 24 -0.652 -8.342 17.354 1.00114.71 N ATOM 0 H LYS A 24 2.239 -7.823 12.470 1.00114.71 H new ATOM 0 HA LYS A 24 4.523 -6.759 13.655 1.00114.71 H new ATOM 0 HB2 LYS A 24 2.710 -9.084 14.436 1.00114.71 H new ATOM 0 HB3 LYS A 24 3.917 -8.400 15.507 1.00114.71 H new ATOM 0 HG2 LYS A 24 2.756 -6.179 15.329 1.00114.71 H new ATOM 0 HG3 LYS A 24 1.514 -6.939 14.355 1.00114.71 H new ATOM 0 HD2 LYS A 24 1.922 -8.521 16.746 1.00114.71 H new ATOM 0 HD3 LYS A 24 1.708 -6.845 17.209 1.00114.71 H new ATOM 0 HE2 LYS A 24 -0.411 -6.709 16.027 1.00114.71 H new ATOM 0 HE3 LYS A 24 -0.166 -8.281 15.293 1.00114.71 H new ATOM 0 HZ1 LYS A 24 -1.371 -9.010 17.011 1.00114.71 H new ATOM 0 HZ2 LYS A 24 0.053 -8.853 17.923 1.00114.71 H new ATOM 0 HZ3 LYS A 24 -1.108 -7.614 17.940 1.00114.71 H new ATOM 386 N SER A 25 4.828 -9.870 12.605 1.00 75.52 N ATOM 387 CA SER A 25 5.787 -10.932 12.311 1.00 75.52 C ATOM 388 C SER A 25 6.892 -10.375 11.433 1.00 75.52 C ATOM 389 O SER A 25 8.076 -10.656 11.626 1.00 75.52 O ATOM 390 CB SER A 25 5.091 -12.104 11.610 1.00 75.52 C ATOM 391 OG SER A 25 4.085 -12.668 12.434 1.00 75.52 O ATOM 0 H SER A 25 3.880 -10.060 12.280 1.00 75.52 H new ATOM 0 HA SER A 25 6.214 -11.300 13.244 1.00 75.52 H new ATOM 0 HB2 SER A 25 4.649 -11.761 10.674 1.00 75.52 H new ATOM 0 HB3 SER A 25 5.826 -12.867 11.355 1.00 75.52 H new ATOM 0 HG SER A 25 3.248 -12.173 12.313 1.00 75.52 H new ATOM 397 N ALA A 26 6.482 -9.544 10.494 1.00 32.46 N ATOM 398 CA ALA A 26 7.398 -8.879 9.598 1.00 32.46 C ATOM 399 C ALA A 26 8.118 -7.767 10.348 1.00 32.46 C ATOM 400 O ALA A 26 9.286 -7.477 10.092 1.00 32.46 O ATOM 401 CB ALA A 26 6.648 -8.334 8.391 1.00 32.46 C ATOM 0 H ALA A 26 5.502 -9.313 10.334 1.00 32.46 H new ATOM 0 HA ALA A 26 8.140 -9.591 9.235 1.00 32.46 H new ATOM 0 HB1 ALA A 26 7.349 -7.835 7.722 1.00 32.46 H new ATOM 0 HB2 ALA A 26 6.164 -9.155 7.862 1.00 32.46 H new ATOM 0 HB3 ALA A 26 5.893 -7.621 8.723 1.00 32.46 H new ATOM 407 N CYS A 27 7.393 -7.145 11.284 1.00 54.89 N ATOM 408 CA CYS A 27 7.942 -6.061 12.081 1.00 54.89 C ATOM 409 C CYS A 27 8.763 -6.572 13.248 1.00 54.89 C ATOM 410 O CYS A 27 9.310 -5.776 13.996 1.00 54.89 O ATOM 411 CB CYS A 27 6.847 -5.155 12.633 1.00 54.89 C ATOM 412 SG CYS A 27 5.761 -4.433 11.391 1.00 54.89 S ATOM 0 H CYS A 27 6.425 -7.379 11.503 1.00 54.89 H new ATOM 0 HA CYS A 27 8.584 -5.495 11.406 1.00 54.89 H new ATOM 0 HB2 CYS A 27 6.241 -5.728 13.335 1.00 54.89 H new ATOM 0 HB3 CYS A 27 7.314 -4.349 13.199 1.00 54.89 H new ATOM 0 HG CYS A 27 4.945 -3.597 11.961 1.00 54.89 H new ATOM 418 N LYS A 28 8.860 -7.892 13.431 1.00157.95 N ATOM 419 CA LYS A 28 9.643 -8.418 14.557 1.00157.95 C ATOM 420 C LYS A 28 11.043 -7.805 14.559 1.00157.95 C ATOM 421 O LYS A 28 11.635 -7.571 15.613 1.00157.95 O ATOM 422 CB LYS A 28 9.743 -9.941 14.484 1.00157.95 C ATOM 423 CG LYS A 28 8.398 -10.638 14.547 1.00157.95 C ATOM 424 CD LYS A 28 7.724 -10.429 15.893 1.00157.95 C ATOM 425 CE LYS A 28 6.426 -11.210 15.987 1.00157.95 C ATOM 426 NZ LYS A 28 5.862 -11.190 17.364 1.00157.95 N ATOM 0 H LYS A 28 8.423 -8.597 12.837 1.00157.95 H new ATOM 0 HA LYS A 28 9.133 -8.148 15.482 1.00157.95 H new ATOM 0 HB2 LYS A 28 10.245 -10.220 13.558 1.00157.95 H new ATOM 0 HB3 LYS A 28 10.366 -10.296 15.305 1.00157.95 H new ATOM 0 HG2 LYS A 28 7.753 -10.259 13.754 1.00157.95 H new ATOM 0 HG3 LYS A 28 8.531 -11.705 14.368 1.00157.95 H new ATOM 0 HD2 LYS A 28 8.397 -10.741 16.692 1.00157.95 H new ATOM 0 HD3 LYS A 28 7.524 -9.368 16.041 1.00157.95 H new ATOM 0 HE2 LYS A 28 5.699 -10.790 15.291 1.00157.95 H new ATOM 0 HE3 LYS A 28 6.601 -12.242 15.682 1.00157.95 H new ATOM 0 HZ1 LYS A 28 4.976 -11.735 17.384 1.00157.95 H new ATOM 0 HZ2 LYS A 28 6.544 -11.614 18.025 1.00157.95 H new ATOM 0 HZ3 LYS A 28 5.671 -10.208 17.647 1.00157.95 H new ATOM 440 N GLU A 29 11.544 -7.530 13.364 1.00243.70 N ATOM 441 CA GLU A 29 12.855 -6.922 13.199 1.00243.70 C ATOM 442 C GLU A 29 12.844 -5.421 13.512 1.00243.70 C ATOM 443 O GLU A 29 13.804 -4.894 14.075 1.00243.70 O ATOM 444 CB GLU A 29 13.351 -7.136 11.768 1.00243.70 C ATOM 445 CG GLU A 29 13.495 -8.599 11.384 1.00243.70 C ATOM 446 CD GLU A 29 14.073 -8.787 9.993 1.00243.70 C ATOM 447 OE1 GLU A 29 14.125 -7.797 9.231 1.00243.70 O ATOM 448 OE2 GLU A 29 14.477 -9.922 9.667 1.00243.70 O ATOM 0 H GLU A 29 11.057 -7.720 12.488 1.00243.70 H new ATOM 0 HA GLU A 29 13.526 -7.406 13.909 1.00243.70 H new ATOM 0 HB2 GLU A 29 12.659 -6.655 11.077 1.00243.70 H new ATOM 0 HB3 GLU A 29 14.315 -6.642 11.649 1.00243.70 H new ATOM 0 HG2 GLU A 29 14.136 -9.099 12.110 1.00243.70 H new ATOM 0 HG3 GLU A 29 12.519 -9.081 11.435 1.00243.70 H new ATOM 455 N ASP A 30 11.778 -4.725 13.104 1.00108.85 N ATOM 456 CA ASP A 30 11.690 -3.275 13.304 1.00108.85 C ATOM 457 C ASP A 30 10.993 -2.867 14.604 1.00108.85 C ATOM 458 O ASP A 30 11.417 -1.919 15.266 1.00108.85 O ATOM 459 CB ASP A 30 10.968 -2.632 12.115 1.00108.85 C ATOM 460 CG ASP A 30 11.738 -2.789 10.817 1.00108.85 C ATOM 461 OD1 ASP A 30 12.962 -3.029 10.878 1.00108.85 O ATOM 462 OD2 ASP A 30 11.117 -2.669 9.740 1.00108.85 O ATOM 0 H ASP A 30 10.970 -5.138 12.637 1.00108.85 H new ATOM 0 HA ASP A 30 12.717 -2.916 13.378 1.00108.85 H new ATOM 0 HB2 ASP A 30 9.981 -3.082 12.006 1.00108.85 H new ATOM 0 HB3 ASP A 30 10.814 -1.572 12.317 1.00108.85 H new ATOM 467 N ILE A 31 9.905 -3.547 14.947 1.00355.97 N ATOM 468 CA ILE A 31 9.139 -3.212 16.135 1.00355.97 C ATOM 469 C ILE A 31 9.313 -4.248 17.258 1.00355.97 C ATOM 470 O ILE A 31 9.262 -5.452 17.005 1.00355.97 O ATOM 471 CB ILE A 31 7.650 -3.025 15.762 1.00355.97 C ATOM 472 CG1 ILE A 31 6.978 -2.082 16.754 1.00355.97 C ATOM 473 CG2 ILE A 31 6.893 -4.346 15.629 1.00355.97 C ATOM 474 CD1 ILE A 31 6.496 -2.731 18.028 1.00355.97 C ATOM 0 H ILE A 31 9.535 -4.335 14.416 1.00355.97 H new ATOM 0 HA ILE A 31 9.526 -2.272 16.529 1.00355.97 H new ATOM 0 HB ILE A 31 7.617 -2.573 14.771 1.00355.97 H new ATOM 0 HG12 ILE A 31 7.681 -1.290 17.012 1.00355.97 H new ATOM 0 HG13 ILE A 31 6.129 -1.607 16.262 1.00355.97 H new ATOM 0 HG21 ILE A 31 5.854 -4.145 15.366 1.00355.97 H new ATOM 0 HG22 ILE A 31 7.354 -4.953 14.850 1.00355.97 H new ATOM 0 HG23 ILE A 31 6.930 -4.884 16.577 1.00355.97 H new ATOM 0 HD11 ILE A 31 6.033 -1.979 18.667 1.00355.97 H new ATOM 0 HD12 ILE A 31 5.765 -3.503 17.789 1.00355.97 H new ATOM 0 HD13 ILE A 31 7.341 -3.180 18.550 1.00355.97 H new ATOM 486 N PRO A 32 9.541 -3.796 18.515 1.00153.08 N ATOM 487 CA PRO A 32 9.742 -4.704 19.649 1.00153.08 C ATOM 488 C PRO A 32 8.564 -5.639 19.913 1.00153.08 C ATOM 489 O PRO A 32 7.403 -5.255 19.773 1.00153.08 O ATOM 490 CB PRO A 32 9.943 -3.766 20.844 1.00153.08 C ATOM 491 CG PRO A 32 10.346 -2.463 20.253 1.00153.08 C ATOM 492 CD PRO A 32 9.647 -2.383 18.928 1.00153.08 C ATOM 0 HA PRO A 32 10.581 -5.372 19.455 1.00153.08 H new ATOM 0 HB2 PRO A 32 9.027 -3.668 21.426 1.00153.08 H new ATOM 0 HB3 PRO A 32 10.710 -4.146 21.519 1.00153.08 H new ATOM 0 HG2 PRO A 32 10.056 -1.634 20.899 1.00153.08 H new ATOM 0 HG3 PRO A 32 11.427 -2.407 20.129 1.00153.08 H new ATOM 0 HD2 PRO A 32 8.666 -1.915 19.018 1.00153.08 H new ATOM 0 HD3 PRO A 32 10.216 -1.795 18.208 1.00153.08 H new ATOM 500 N SER A 33 8.883 -6.870 20.313 1.00 84.70 N ATOM 501 CA SER A 33 7.869 -7.876 20.622 1.00 84.70 C ATOM 502 C SER A 33 7.029 -7.456 21.825 1.00 84.70 C ATOM 503 O SER A 33 5.840 -7.767 21.906 1.00 84.70 O ATOM 504 CB SER A 33 8.527 -9.229 20.903 1.00 84.70 C ATOM 505 OG SER A 33 7.557 -10.253 21.026 1.00 84.70 O ATOM 0 H SER A 33 9.843 -7.195 20.431 1.00 84.70 H new ATOM 0 HA SER A 33 7.215 -7.967 19.755 1.00 84.70 H new ATOM 0 HB2 SER A 33 9.219 -9.474 20.097 1.00 84.70 H new ATOM 0 HB3 SER A 33 9.114 -9.168 21.820 1.00 84.70 H new ATOM 0 HG SER A 33 8.004 -11.107 21.204 1.00 84.70 H new ATOM 511 N GLU A 34 7.657 -6.748 22.760 1.00109.83 N ATOM 512 CA GLU A 34 6.970 -6.286 23.964 1.00109.83 C ATOM 513 C GLU A 34 5.783 -5.397 23.608 1.00109.83 C ATOM 514 O GLU A 34 4.826 -5.289 24.375 1.00109.83 O ATOM 515 CB GLU A 34 7.942 -5.530 24.873 1.00109.83 C ATOM 516 CG GLU A 34 7.325 -5.091 26.194 1.00109.83 C ATOM 517 CD GLU A 34 8.287 -4.303 27.064 1.00109.83 C ATOM 518 OE1 GLU A 34 9.443 -4.090 26.637 1.00109.83 O ATOM 519 OE2 GLU A 34 7.886 -3.901 28.176 1.00109.83 O ATOM 0 H GLU A 34 8.640 -6.481 22.708 1.00109.83 H new ATOM 0 HA GLU A 34 6.594 -7.160 24.496 1.00109.83 H new ATOM 0 HB2 GLU A 34 8.804 -6.165 25.077 1.00109.83 H new ATOM 0 HB3 GLU A 34 8.312 -4.651 24.345 1.00109.83 H new ATOM 0 HG2 GLU A 34 6.444 -4.482 25.993 1.00109.83 H new ATOM 0 HG3 GLU A 34 6.986 -5.971 26.741 1.00109.83 H new ATOM 526 N LYS A 35 5.848 -4.764 22.443 1.00 73.01 N ATOM 527 CA LYS A 35 4.778 -3.888 21.987 1.00 73.01 C ATOM 528 C LYS A 35 3.848 -4.621 21.025 1.00 73.01 C ATOM 529 O LYS A 35 2.665 -4.310 20.932 1.00 73.01 O ATOM 530 CB LYS A 35 5.386 -2.678 21.295 1.00 73.01 C ATOM 531 CG LYS A 35 6.351 -1.924 22.182 1.00 73.01 C ATOM 532 CD LYS A 35 5.619 -1.181 23.280 1.00 73.01 C ATOM 533 CE LYS A 35 6.583 -0.420 24.176 1.00 73.01 C ATOM 534 NZ LYS A 35 5.876 0.308 25.266 1.00 73.01 N ATOM 0 H LYS A 35 6.633 -4.842 21.796 1.00 73.01 H new ATOM 0 HA LYS A 35 4.192 -3.568 22.849 1.00 73.01 H new ATOM 0 HB2 LYS A 35 5.905 -3.003 20.393 1.00 73.01 H new ATOM 0 HB3 LYS A 35 4.588 -2.006 20.979 1.00 73.01 H new ATOM 0 HG2 LYS A 35 7.064 -2.621 22.623 1.00 73.01 H new ATOM 0 HG3 LYS A 35 6.925 -1.218 21.582 1.00 73.01 H new ATOM 0 HD2 LYS A 35 4.906 -0.486 22.837 1.00 73.01 H new ATOM 0 HD3 LYS A 35 5.045 -1.888 23.879 1.00 73.01 H new ATOM 0 HE2 LYS A 35 7.300 -1.116 24.611 1.00 73.01 H new ATOM 0 HE3 LYS A 35 7.152 0.290 23.576 1.00 73.01 H new ATOM 0 HZ1 LYS A 35 6.570 0.813 25.853 1.00 73.01 H new ATOM 0 HZ2 LYS A 35 5.210 0.991 24.852 1.00 73.01 H new ATOM 0 HZ3 LYS A 35 5.353 -0.371 25.855 1.00 73.01 H new ATOM 548 N SER A 36 4.395 -5.606 20.321 1.00 80.12 N ATOM 549 CA SER A 36 3.624 -6.397 19.371 1.00 80.12 C ATOM 550 C SER A 36 2.442 -7.078 20.050 1.00 80.12 C ATOM 551 O SER A 36 1.383 -7.255 19.449 1.00 80.12 O ATOM 552 CB SER A 36 4.534 -7.433 18.718 1.00 80.12 C ATOM 553 OG SER A 36 3.829 -8.216 17.770 1.00 80.12 O ATOM 0 H SER A 36 5.376 -5.876 20.392 1.00 80.12 H new ATOM 0 HA SER A 36 3.224 -5.731 18.606 1.00 80.12 H new ATOM 0 HB2 SER A 36 5.368 -6.930 18.229 1.00 80.12 H new ATOM 0 HB3 SER A 36 4.958 -8.082 19.484 1.00 80.12 H new ATOM 0 HG SER A 36 3.998 -9.166 17.940 1.00 80.12 H new ATOM 559 N GLU A 37 2.636 -7.464 21.305 1.00 42.03 N ATOM 560 CA GLU A 37 1.594 -8.134 22.071 1.00 42.03 C ATOM 561 C GLU A 37 0.377 -7.234 22.270 1.00 42.03 C ATOM 562 O GLU A 37 -0.762 -7.700 22.231 1.00 42.03 O ATOM 563 CB GLU A 37 2.147 -8.573 23.427 1.00 42.03 C ATOM 564 CG GLU A 37 3.274 -9.590 23.318 1.00 42.03 C ATOM 565 CD GLU A 37 3.784 -10.049 24.672 1.00 42.03 C ATOM 566 OE1 GLU A 37 3.399 -9.443 25.694 1.00 42.03 O ATOM 567 OE2 GLU A 37 4.572 -11.019 24.709 1.00 42.03 O ATOM 0 H GLU A 37 3.508 -7.324 21.815 1.00 42.03 H new ATOM 0 HA GLU A 37 1.273 -9.009 21.507 1.00 42.03 H new ATOM 0 HB2 GLU A 37 2.509 -7.697 23.965 1.00 42.03 H new ATOM 0 HB3 GLU A 37 1.338 -9.000 24.020 1.00 42.03 H new ATOM 0 HG2 GLU A 37 2.924 -10.455 22.754 1.00 42.03 H new ATOM 0 HG3 GLU A 37 4.098 -9.154 22.753 1.00 42.03 H new ATOM 574 N GLU A 38 0.619 -5.945 22.490 1.00 75.99 N ATOM 575 CA GLU A 38 -0.469 -4.990 22.700 1.00 75.99 C ATOM 576 C GLU A 38 -0.982 -4.382 21.401 1.00 75.99 C ATOM 577 O GLU A 38 -1.925 -3.590 21.415 1.00 75.99 O ATOM 578 CB GLU A 38 -0.036 -3.883 23.657 1.00 75.99 C ATOM 579 CG GLU A 38 1.139 -3.063 23.149 1.00 75.99 C ATOM 580 CD GLU A 38 1.581 -2.003 24.137 1.00 75.99 C ATOM 581 OE1 GLU A 38 0.883 -0.975 24.259 1.00 75.99 O ATOM 582 OE2 GLU A 38 2.629 -2.200 24.790 1.00 75.99 O ATOM 0 H GLU A 38 1.553 -5.537 22.528 1.00 75.99 H new ATOM 0 HA GLU A 38 -1.292 -5.552 23.140 1.00 75.99 H new ATOM 0 HB2 GLU A 38 -0.881 -3.218 23.836 1.00 75.99 H new ATOM 0 HB3 GLU A 38 0.230 -4.327 24.616 1.00 75.99 H new ATOM 0 HG2 GLU A 38 1.976 -3.728 22.936 1.00 75.99 H new ATOM 0 HG3 GLU A 38 0.864 -2.586 22.208 1.00 75.99 H new ATOM 589 N ILE A 39 -0.384 -4.756 20.285 1.00131.16 N ATOM 590 CA ILE A 39 -0.820 -4.244 18.997 1.00131.16 C ATOM 591 C ILE A 39 -1.965 -5.094 18.464 1.00131.16 C ATOM 592 O ILE A 39 -1.784 -5.951 17.601 1.00131.16 O ATOM 593 CB ILE A 39 0.359 -4.165 17.991 1.00131.16 C ATOM 594 CG1 ILE A 39 1.322 -3.068 18.448 1.00131.16 C ATOM 595 CG2 ILE A 39 -0.123 -3.882 16.570 1.00131.16 C ATOM 596 CD1 ILE A 39 2.677 -3.114 17.782 1.00131.16 C ATOM 0 H ILE A 39 0.400 -5.408 20.243 1.00131.16 H new ATOM 0 HA ILE A 39 -1.185 -3.225 19.130 1.00131.16 H new ATOM 0 HB ILE A 39 0.864 -5.131 17.972 1.00131.16 H new ATOM 0 HG12 ILE A 39 0.867 -2.097 18.253 1.00131.16 H new ATOM 0 HG13 ILE A 39 1.457 -3.146 19.527 1.00131.16 H new ATOM 0 HG21 ILE A 39 0.734 -3.835 15.898 1.00131.16 H new ATOM 0 HG22 ILE A 39 -0.793 -4.679 16.248 1.00131.16 H new ATOM 0 HG23 ILE A 39 -0.654 -2.930 16.549 1.00131.16 H new ATOM 0 HD11 ILE A 39 3.297 -2.303 18.163 1.00131.16 H new ATOM 0 HD12 ILE A 39 3.156 -4.069 17.998 1.00131.16 H new ATOM 0 HD13 ILE A 39 2.557 -3.004 16.704 1.00131.16 H new ATOM 608 N THR A 40 -3.148 -4.832 18.996 1.00160.31 N ATOM 609 CA THR A 40 -4.356 -5.549 18.593 1.00160.31 C ATOM 610 C THR A 40 -5.144 -4.782 17.519 1.00160.31 C ATOM 611 O THR A 40 -6.206 -5.221 17.080 1.00160.31 O ATOM 612 CB THR A 40 -5.269 -5.891 19.812 1.00160.31 C ATOM 613 OG1 THR A 40 -6.644 -5.966 19.409 1.00160.31 O ATOM 614 CG2 THR A 40 -5.131 -4.870 20.942 1.00160.31 C ATOM 0 H THR A 40 -3.302 -4.123 19.713 1.00160.31 H new ATOM 0 HA THR A 40 -4.025 -6.491 18.155 1.00160.31 H new ATOM 0 HB THR A 40 -4.940 -6.860 20.187 1.00160.31 H new ATOM 0 HG1 THR A 40 -6.700 -5.937 18.431 1.00160.31 H new ATOM 0 HG21 THR A 40 -5.785 -5.150 21.768 1.00160.31 H new ATOM 0 HG22 THR A 40 -4.098 -4.849 21.289 1.00160.31 H new ATOM 0 HG23 THR A 40 -5.411 -3.882 20.576 1.00160.31 H new ATOM 622 N THR A 41 -4.603 -3.645 17.098 1.00182.91 N ATOM 623 CA THR A 41 -5.216 -2.809 16.079 1.00182.91 C ATOM 624 C THR A 41 -4.173 -2.031 15.324 1.00182.91 C ATOM 625 O THR A 41 -3.141 -1.650 15.879 1.00182.91 O ATOM 626 CB THR A 41 -6.260 -1.810 16.653 1.00182.91 C ATOM 627 OG1 THR A 41 -6.341 -0.627 15.844 1.00182.91 O ATOM 628 CG2 THR A 41 -5.978 -1.403 18.101 1.00182.91 C ATOM 0 H THR A 41 -3.722 -3.277 17.457 1.00182.91 H new ATOM 0 HA THR A 41 -5.737 -3.496 15.412 1.00182.91 H new ATOM 0 HB THR A 41 -7.211 -2.342 16.637 1.00182.91 H new ATOM 0 HG1 THR A 41 -7.248 -0.259 15.893 1.00182.91 H new ATOM 0 HG21 THR A 41 -6.744 -0.705 18.439 1.00182.91 H new ATOM 0 HG22 THR A 41 -5.988 -2.289 18.736 1.00182.91 H new ATOM 0 HG23 THR A 41 -5.000 -0.925 18.161 1.00182.91 H new ATOM 636 N GLY A 42 -4.479 -1.732 14.068 1.00 66.60 N ATOM 637 CA GLY A 42 -3.579 -0.921 13.284 1.00 66.60 C ATOM 638 C GLY A 42 -3.425 0.426 13.958 1.00 66.60 C ATOM 639 O GLY A 42 -2.355 1.033 13.934 1.00 66.60 O ATOM 0 H GLY A 42 -5.325 -2.034 13.586 1.00 66.60 H new ATOM 0 HA2 GLY A 42 -2.610 -1.411 13.194 1.00 66.60 H new ATOM 0 HA3 GLY A 42 -3.967 -0.795 12.273 1.00 66.60 H new ATOM 643 N SER A 43 -4.507 0.854 14.624 1.00 41.24 N ATOM 644 CA SER A 43 -4.490 2.092 15.381 1.00 41.24 C ATOM 645 C SER A 43 -3.524 1.950 16.549 1.00 41.24 C ATOM 646 O SER A 43 -2.749 2.856 16.852 1.00 41.24 O ATOM 647 CB SER A 43 -5.891 2.439 15.892 1.00 41.24 C ATOM 648 OG SER A 43 -6.811 2.557 14.821 1.00 41.24 O ATOM 0 H SER A 43 -5.397 0.356 14.648 1.00 41.24 H new ATOM 0 HA SER A 43 -4.161 2.902 14.729 1.00 41.24 H new ATOM 0 HB2 SER A 43 -6.230 1.668 16.583 1.00 41.24 H new ATOM 0 HB3 SER A 43 -5.856 3.375 16.450 1.00 41.24 H new ATOM 0 HG SER A 43 -7.698 2.777 15.175 1.00 41.24 H new ATOM 654 N ALA A 44 -3.579 0.782 17.195 1.00 31.60 N ATOM 655 CA ALA A 44 -2.711 0.485 18.333 1.00 31.60 C ATOM 656 C ALA A 44 -1.254 0.485 17.913 1.00 31.60 C ATOM 657 O ALA A 44 -0.371 0.886 18.671 1.00 31.60 O ATOM 658 CB ALA A 44 -3.066 -0.867 18.928 1.00 31.60 C ATOM 0 H ALA A 44 -4.218 0.026 16.947 1.00 31.60 H new ATOM 0 HA ALA A 44 -2.862 1.261 19.083 1.00 31.60 H new ATOM 0 HB1 ALA A 44 -2.412 -1.075 19.775 1.00 31.60 H new ATOM 0 HB2 ALA A 44 -4.103 -0.855 19.265 1.00 31.60 H new ATOM 0 HB3 ALA A 44 -2.939 -1.642 18.172 1.00 31.60 H new ATOM 664 N TRP A 45 -1.016 0.029 16.695 1.00 71.86 N ATOM 665 CA TRP A 45 0.326 -0.033 16.149 1.00 71.86 C ATOM 666 C TRP A 45 0.759 1.337 15.715 1.00 71.86 C ATOM 667 O TRP A 45 1.790 1.839 16.155 1.00 71.86 O ATOM 668 CB TRP A 45 0.362 -0.968 14.955 1.00 71.86 C ATOM 669 CG TRP A 45 1.735 -1.206 14.436 1.00 71.86 C ATOM 670 CD1 TRP A 45 2.897 -1.299 15.151 1.00 71.86 C ATOM 671 CD2 TRP A 45 2.085 -1.380 13.074 1.00 71.86 C ATOM 672 NE1 TRP A 45 3.950 -1.512 14.297 1.00 71.86 N ATOM 673 CE2 TRP A 45 3.474 -1.562 13.016 1.00 71.86 C ATOM 674 CE3 TRP A 45 1.351 -1.393 11.896 1.00 71.86 C ATOM 675 CZ2 TRP A 45 4.146 -1.754 11.819 1.00 71.86 C ATOM 676 CZ3 TRP A 45 2.009 -1.589 10.708 1.00 71.86 C ATOM 677 CH2 TRP A 45 3.401 -1.768 10.671 1.00 71.86 C ATOM 0 H TRP A 45 -1.742 -0.306 16.062 1.00 71.86 H new ATOM 0 HA TRP A 45 1.001 -0.406 16.919 1.00 71.86 H new ATOM 0 HB2 TRP A 45 -0.083 -1.922 15.236 1.00 71.86 H new ATOM 0 HB3 TRP A 45 -0.253 -0.552 14.157 1.00 71.86 H new ATOM 0 HD1 TRP A 45 2.974 -1.217 16.225 1.00 71.86 H new ATOM 0 HE1 TRP A 45 4.927 -1.616 14.572 1.00 71.86 H new ATOM 0 HE3 TRP A 45 0.280 -1.251 11.914 1.00 71.86 H new ATOM 0 HZ2 TRP A 45 5.217 -1.888 11.793 1.00 71.86 H new ATOM 0 HZ3 TRP A 45 1.447 -1.606 9.786 1.00 71.86 H new ATOM 0 HH2 TRP A 45 3.892 -1.919 9.721 1.00 71.86 H new ATOM 688 N PHE A 46 -0.043 1.956 14.861 1.00 81.71 N ATOM 689 CA PHE A 46 0.262 3.285 14.391 1.00 81.71 C ATOM 690 C PHE A 46 0.425 4.235 15.567 1.00 81.71 C ATOM 691 O PHE A 46 1.291 5.088 15.553 1.00 81.71 O ATOM 692 CB PHE A 46 -0.842 3.789 13.478 1.00 81.71 C ATOM 693 CG PHE A 46 -0.904 3.092 12.156 1.00 81.71 C ATOM 694 CD1 PHE A 46 0.249 2.822 11.434 1.00 81.71 C ATOM 695 CD2 PHE A 46 -2.121 2.738 11.618 1.00 81.71 C ATOM 696 CE1 PHE A 46 0.178 2.215 10.192 1.00 81.71 C ATOM 697 CE2 PHE A 46 -2.199 2.130 10.388 1.00 81.71 C ATOM 698 CZ PHE A 46 -1.055 1.871 9.668 1.00 81.71 C ATOM 0 H PHE A 46 -0.903 1.556 14.486 1.00 81.71 H new ATOM 0 HA PHE A 46 1.196 3.245 13.831 1.00 81.71 H new ATOM 0 HB2 PHE A 46 -1.800 3.672 13.984 1.00 81.71 H new ATOM 0 HB3 PHE A 46 -0.700 4.856 13.308 1.00 81.71 H new ATOM 0 HD1 PHE A 46 1.212 3.088 11.845 1.00 81.71 H new ATOM 0 HD2 PHE A 46 -3.027 2.941 12.170 1.00 81.71 H new ATOM 0 HE1 PHE A 46 1.081 2.011 9.635 1.00 81.71 H new ATOM 0 HE2 PHE A 46 -3.162 1.854 9.985 1.00 81.71 H new ATOM 0 HZ PHE A 46 -1.120 1.401 8.698 1.00 81.71 H new ATOM 708 N SER A 47 -0.401 4.066 16.596 1.00 81.62 N ATOM 709 CA SER A 47 -0.296 4.920 17.774 1.00 81.62 C ATOM 710 C SER A 47 1.043 4.706 18.457 1.00 81.62 C ATOM 711 O SER A 47 1.714 5.665 18.836 1.00 81.62 O ATOM 712 CB SER A 47 -1.446 4.658 18.750 1.00 81.62 C ATOM 713 OG SER A 47 -2.697 4.963 18.159 1.00 81.62 O ATOM 0 H SER A 47 -1.136 3.360 16.639 1.00 81.62 H new ATOM 0 HA SER A 47 -0.364 5.959 17.450 1.00 81.62 H new ATOM 0 HB2 SER A 47 -1.432 3.613 19.061 1.00 81.62 H new ATOM 0 HB3 SER A 47 -1.309 5.260 19.648 1.00 81.62 H new ATOM 0 HG SER A 47 -3.094 4.145 17.793 1.00 81.62 H new ATOM 719 N PHE A 48 1.460 3.446 18.564 1.00 49.76 N ATOM 720 CA PHE A 48 2.750 3.138 19.143 1.00 49.76 C ATOM 721 C PHE A 48 3.826 3.707 18.211 1.00 49.76 C ATOM 722 O PHE A 48 4.735 4.420 18.637 1.00 49.76 O ATOM 723 CB PHE A 48 2.903 1.619 19.328 1.00 49.76 C ATOM 724 CG PHE A 48 4.323 1.179 19.252 1.00 49.76 C ATOM 725 CD1 PHE A 48 5.121 1.151 20.370 1.00 49.76 C ATOM 726 CD2 PHE A 48 4.859 0.871 18.030 1.00 49.76 C ATOM 727 CE1 PHE A 48 6.457 0.813 20.268 1.00 49.76 C ATOM 728 CE2 PHE A 48 6.182 0.526 17.910 1.00 49.76 C ATOM 729 CZ PHE A 48 6.990 0.498 19.032 1.00 49.76 C ATOM 0 H PHE A 48 0.924 2.634 18.258 1.00 49.76 H new ATOM 0 HA PHE A 48 2.850 3.587 20.131 1.00 49.76 H new ATOM 0 HB2 PHE A 48 2.487 1.329 20.293 1.00 49.76 H new ATOM 0 HB3 PHE A 48 2.324 1.102 18.563 1.00 49.76 H new ATOM 0 HD1 PHE A 48 4.701 1.395 21.335 1.00 49.76 H new ATOM 0 HD2 PHE A 48 4.233 0.900 17.150 1.00 49.76 H new ATOM 0 HE1 PHE A 48 7.081 0.795 21.149 1.00 49.76 H new ATOM 0 HE2 PHE A 48 6.591 0.277 16.942 1.00 49.76 H new ATOM 0 HZ PHE A 48 8.033 0.231 18.943 1.00 49.76 H new ATOM 739 N LEU A 49 3.680 3.388 16.924 1.00 52.14 N ATOM 740 CA LEU A 49 4.589 3.858 15.886 1.00 52.14 C ATOM 741 C LEU A 49 4.685 5.388 15.951 1.00 52.14 C ATOM 742 O LEU A 49 5.774 5.959 15.931 1.00 52.14 O ATOM 743 CB LEU A 49 4.061 3.403 14.514 1.00 52.14 C ATOM 744 CG LEU A 49 4.932 2.395 13.750 1.00 52.14 C ATOM 745 CD1 LEU A 49 5.396 1.270 14.667 1.00 52.14 C ATOM 746 CD2 LEU A 49 4.162 1.828 12.565 1.00 52.14 C ATOM 0 H LEU A 49 2.926 2.796 16.575 1.00 52.14 H new ATOM 0 HA LEU A 49 5.585 3.441 16.037 1.00 52.14 H new ATOM 0 HB2 LEU A 49 3.074 2.964 14.656 1.00 52.14 H new ATOM 0 HB3 LEU A 49 3.930 4.286 13.888 1.00 52.14 H new ATOM 0 HG LEU A 49 5.815 2.917 13.381 1.00 52.14 H new ATOM 0 HD11 LEU A 49 6.011 0.570 14.102 1.00 52.14 H new ATOM 0 HD12 LEU A 49 5.981 1.687 15.487 1.00 52.14 H new ATOM 0 HD13 LEU A 49 4.528 0.747 15.070 1.00 52.14 H new ATOM 0 HD21 LEU A 49 4.790 1.115 12.031 1.00 52.14 H new ATOM 0 HD22 LEU A 49 3.264 1.325 12.922 1.00 52.14 H new ATOM 0 HD23 LEU A 49 3.881 2.638 11.892 1.00 52.14 H new ATOM 758 N GLU A 50 3.518 6.030 16.067 1.00 63.10 N ATOM 759 CA GLU A 50 3.437 7.487 16.180 1.00 63.10 C ATOM 760 C GLU A 50 4.091 7.941 17.474 1.00 63.10 C ATOM 761 O GLU A 50 4.872 8.892 17.493 1.00 63.10 O ATOM 762 CB GLU A 50 1.982 7.973 16.157 1.00 63.10 C ATOM 763 CG GLU A 50 1.328 7.948 14.783 1.00 63.10 C ATOM 764 CD GLU A 50 -0.091 8.490 14.802 1.00 63.10 C ATOM 765 OE1 GLU A 50 -0.646 8.669 15.907 1.00 63.10 O ATOM 766 OE2 GLU A 50 -0.647 8.732 13.710 1.00 63.10 O ATOM 0 H GLU A 50 2.613 5.559 16.085 1.00 63.10 H new ATOM 0 HA GLU A 50 3.958 7.915 15.324 1.00 63.10 H new ATOM 0 HB2 GLU A 50 1.395 7.354 16.836 1.00 63.10 H new ATOM 0 HB3 GLU A 50 1.947 8.992 16.543 1.00 63.10 H new ATOM 0 HG2 GLU A 50 1.928 8.535 14.088 1.00 63.10 H new ATOM 0 HG3 GLU A 50 1.317 6.924 14.408 1.00 63.10 H new ATOM 773 N SER A 51 3.776 7.230 18.552 1.00 75.02 N ATOM 774 CA SER A 51 4.344 7.532 19.864 1.00 75.02 C ATOM 775 C SER A 51 5.865 7.429 19.810 1.00 75.02 C ATOM 776 O SER A 51 6.575 8.116 20.543 1.00 75.02 O ATOM 777 CB SER A 51 3.787 6.583 20.926 1.00 75.02 C ATOM 778 OG SER A 51 2.378 6.698 21.024 1.00 75.02 O ATOM 0 H SER A 51 3.130 6.440 18.544 1.00 75.02 H new ATOM 0 HA SER A 51 4.066 8.550 20.136 1.00 75.02 H new ATOM 0 HB2 SER A 51 4.055 5.556 20.677 1.00 75.02 H new ATOM 0 HB3 SER A 51 4.241 6.806 21.891 1.00 75.02 H new ATOM 0 HG SER A 51 1.955 6.126 20.350 1.00 75.02 H new ATOM 784 N HIS A 52 6.353 6.574 18.914 1.00122.90 N ATOM 785 CA HIS A 52 7.780 6.383 18.731 1.00122.90 C ATOM 786 C HIS A 52 8.231 7.112 17.473 1.00122.90 C ATOM 787 O HIS A 52 7.431 7.782 16.816 1.00122.90 O ATOM 788 CB HIS A 52 8.106 4.895 18.615 1.00122.90 C ATOM 789 CG HIS A 52 8.004 4.168 19.909 1.00122.90 C ATOM 790 ND1 HIS A 52 9.062 3.520 20.510 1.00122.90 N ATOM 791 CD2 HIS A 52 6.948 4.003 20.721 1.00122.90 C ATOM 792 CE1 HIS A 52 8.653 2.982 21.645 1.00122.90 C ATOM 793 NE2 HIS A 52 7.371 3.261 21.798 1.00122.90 N ATOM 0 H HIS A 52 5.772 6.001 18.302 1.00122.90 H new ATOM 0 HA HIS A 52 8.307 6.788 19.595 1.00122.90 H new ATOM 0 HB2 HIS A 52 7.429 4.437 17.894 1.00122.90 H new ATOM 0 HB3 HIS A 52 9.116 4.781 18.221 1.00122.90 H new ATOM 0 HD2 HIS A 52 5.950 4.383 20.558 1.00122.90 H new ATOM 0 HE1 HIS A 52 9.262 2.412 22.330 1.00122.90 H new ATOM 0 HE2 HIS A 52 6.790 2.973 22.586 1.00122.90 H new ATOM 801 N ASN A 53 9.503 6.980 17.132 1.00225.56 N ATOM 802 CA ASN A 53 10.043 7.628 15.942 1.00225.56 C ATOM 803 C ASN A 53 9.994 6.692 14.737 1.00225.56 C ATOM 804 O ASN A 53 10.881 6.721 13.883 1.00225.56 O ATOM 805 CB ASN A 53 11.480 8.091 16.189 1.00225.56 C ATOM 806 CG ASN A 53 11.584 9.071 17.344 1.00225.56 C ATOM 807 OD1 ASN A 53 12.437 8.928 18.218 1.00225.56 O ATOM 808 ND2 ASN A 53 10.716 10.078 17.350 1.00225.56 N ATOM 0 H ASN A 53 10.182 6.431 17.660 1.00225.56 H new ATOM 0 HA ASN A 53 9.424 8.498 15.725 1.00225.56 H new ATOM 0 HB2 ASN A 53 12.108 7.224 16.395 1.00225.56 H new ATOM 0 HB3 ASN A 53 11.869 8.558 15.284 1.00225.56 H new ATOM 0 HD21 ASN A 53 10.742 10.769 18.100 1.00225.56 H new ATOM 0 HD22 ASN A 53 10.024 10.159 16.605 1.00225.56 H new ATOM 815 N LYS A 54 8.960 5.858 14.673 1.00217.59 N ATOM 816 CA LYS A 54 8.810 4.914 13.575 1.00217.59 C ATOM 817 C LYS A 54 7.804 5.401 12.542 1.00217.59 C ATOM 818 O LYS A 54 7.769 4.886 11.425 1.00217.59 O ATOM 819 CB LYS A 54 8.337 3.567 14.102 1.00217.59 C ATOM 820 CG LYS A 54 9.215 2.992 15.198 1.00217.59 C ATOM 821 CD LYS A 54 10.633 2.767 14.708 1.00217.59 C ATOM 822 CE LYS A 54 10.675 1.718 13.610 1.00217.59 C ATOM 823 NZ LYS A 54 12.069 1.442 13.155 1.00217.59 N ATOM 0 H LYS A 54 8.215 5.818 15.369 1.00217.59 H new ATOM 0 HA LYS A 54 9.787 4.820 13.101 1.00217.59 H new ATOM 0 HB2 LYS A 54 7.321 3.673 14.482 1.00217.59 H new ATOM 0 HB3 LYS A 54 8.295 2.859 13.275 1.00217.59 H new ATOM 0 HG2 LYS A 54 9.226 3.670 16.051 1.00217.59 H new ATOM 0 HG3 LYS A 54 8.794 2.049 15.546 1.00217.59 H new ATOM 0 HD2 LYS A 54 11.045 3.705 14.335 1.00217.59 H new ATOM 0 HD3 LYS A 54 11.262 2.452 15.540 1.00217.59 H new ATOM 0 HE2 LYS A 54 10.222 0.795 13.973 1.00217.59 H new ATOM 0 HE3 LYS A 54 10.077 2.055 12.763 1.00217.59 H new ATOM 0 HZ1 LYS A 54 12.053 0.721 12.406 1.00217.59 H new ATOM 0 HZ2 LYS A 54 12.493 2.317 12.785 1.00217.59 H new ATOM 0 HZ3 LYS A 54 12.634 1.096 13.957 1.00217.59 H new ATOM 837 N LEU A 55 6.975 6.375 12.900 1.00 97.75 N ATOM 838 CA LEU A 55 5.979 6.863 11.959 1.00 97.75 C ATOM 839 C LEU A 55 5.529 8.288 12.247 1.00 97.75 C ATOM 840 O LEU A 55 4.770 8.552 13.178 1.00 97.75 O ATOM 841 CB LEU A 55 4.771 5.940 11.966 1.00 97.75 C ATOM 842 CG LEU A 55 3.615 6.381 11.074 1.00 97.75 C ATOM 843 CD1 LEU A 55 2.873 5.178 10.510 1.00 97.75 C ATOM 844 CD2 LEU A 55 2.672 7.270 11.867 1.00 97.75 C ATOM 0 H LEU A 55 6.972 6.832 13.812 1.00 97.75 H new ATOM 0 HA LEU A 55 6.453 6.870 10.977 1.00 97.75 H new ATOM 0 HB2 LEU A 55 5.091 4.946 11.655 1.00 97.75 H new ATOM 0 HB3 LEU A 55 4.407 5.852 12.989 1.00 97.75 H new ATOM 0 HG LEU A 55 4.015 6.946 10.232 1.00 97.75 H new ATOM 0 HD11 LEU A 55 2.054 5.520 9.878 1.00 97.75 H new ATOM 0 HD12 LEU A 55 3.559 4.572 9.919 1.00 97.75 H new ATOM 0 HD13 LEU A 55 2.474 4.580 11.329 1.00 97.75 H new ATOM 0 HD21 LEU A 55 1.846 7.585 11.229 1.00 97.75 H new ATOM 0 HD22 LEU A 55 2.281 6.716 12.720 1.00 97.75 H new ATOM 0 HD23 LEU A 55 3.212 8.148 12.222 1.00 97.75 H new ATOM 856 N ASP A 56 5.976 9.179 11.383 1.00109.16 N ATOM 857 CA ASP A 56 5.609 10.587 11.441 1.00109.16 C ATOM 858 C ASP A 56 4.266 10.783 10.750 1.00109.16 C ATOM 859 O ASP A 56 3.638 9.814 10.337 1.00109.16 O ATOM 860 CB ASP A 56 6.686 11.452 10.785 1.00109.16 C ATOM 861 CG ASP A 56 8.007 11.400 11.529 1.00109.16 C ATOM 862 OD1 ASP A 56 8.024 10.917 12.682 1.00109.16 O ATOM 863 OD2 ASP A 56 9.026 11.843 10.960 1.00109.16 O ATOM 0 H ASP A 56 6.607 8.949 10.616 1.00109.16 H new ATOM 0 HA ASP A 56 5.525 10.895 12.483 1.00109.16 H new ATOM 0 HB2 ASP A 56 6.838 11.120 9.758 1.00109.16 H new ATOM 0 HB3 ASP A 56 6.340 12.484 10.738 1.00109.16 H new ATOM 868 N LYS A 57 3.845 12.029 10.577 1.00 65.03 N ATOM 869 CA LYS A 57 2.589 12.308 9.881 1.00 65.03 C ATOM 870 C LYS A 57 2.757 12.142 8.371 1.00 65.03 C ATOM 871 O LYS A 57 1.775 12.019 7.641 1.00 65.03 O ATOM 872 CB LYS A 57 2.063 13.711 10.204 1.00 65.03 C ATOM 873 CG LYS A 57 3.127 14.794 10.231 1.00 65.03 C ATOM 874 CD LYS A 57 3.972 14.790 8.972 1.00 65.03 C ATOM 875 CE LYS A 57 4.626 16.137 8.725 1.00 65.03 C ATOM 876 NZ LYS A 57 3.646 17.168 8.274 1.00 65.03 N ATOM 0 H LYS A 57 4.345 12.856 10.903 1.00 65.03 H new ATOM 0 HA LYS A 57 1.855 11.585 10.235 1.00 65.03 H new ATOM 0 HB2 LYS A 57 1.308 13.980 9.466 1.00 65.03 H new ATOM 0 HB3 LYS A 57 1.566 13.684 11.174 1.00 65.03 H new ATOM 0 HG2 LYS A 57 2.651 15.768 10.345 1.00 65.03 H new ATOM 0 HG3 LYS A 57 3.770 14.650 11.100 1.00 65.03 H new ATOM 0 HD2 LYS A 57 4.742 14.022 9.054 1.00 65.03 H new ATOM 0 HD3 LYS A 57 3.349 14.527 8.117 1.00 65.03 H new ATOM 0 HE2 LYS A 57 5.111 16.476 9.640 1.00 65.03 H new ATOM 0 HE3 LYS A 57 5.407 16.027 7.972 1.00 65.03 H new ATOM 0 HZ1 LYS A 57 4.157 17.990 7.894 1.00 65.03 H new ATOM 0 HZ2 LYS A 57 3.036 16.767 7.533 1.00 65.03 H new ATOM 0 HZ3 LYS A 57 3.061 17.467 9.080 1.00 65.03 H new ATOM 890 N ASP A 58 4.007 12.149 7.903 1.00165.72 N ATOM 891 CA ASP A 58 4.293 12.008 6.485 1.00165.72 C ATOM 892 C ASP A 58 5.218 10.819 6.194 1.00165.72 C ATOM 893 O ASP A 58 5.315 10.374 5.050 1.00165.72 O ATOM 894 CB ASP A 58 4.923 13.290 5.958 1.00165.72 C ATOM 895 CG ASP A 58 6.202 13.650 6.687 1.00165.72 C ATOM 896 OD1 ASP A 58 6.393 13.168 7.823 1.00165.72 O ATOM 897 OD2 ASP A 58 7.011 14.417 6.123 1.00165.72 O ATOM 0 H ASP A 58 4.834 12.251 8.491 1.00165.72 H new ATOM 0 HA ASP A 58 3.347 11.819 5.978 1.00165.72 H new ATOM 0 HB2 ASP A 58 5.134 13.177 4.895 1.00165.72 H new ATOM 0 HB3 ASP A 58 4.210 14.109 6.056 1.00165.72 H new ATOM 902 N ASN A 59 5.903 10.314 7.219 1.00 98.89 N ATOM 903 CA ASN A 59 6.823 9.186 7.039 1.00 98.89 C ATOM 904 C ASN A 59 6.113 7.849 7.200 1.00 98.89 C ATOM 905 O ASN A 59 5.867 7.384 8.313 1.00 98.89 O ATOM 906 CB ASN A 59 7.984 9.277 8.033 1.00 98.89 C ATOM 907 CG ASN A 59 8.951 10.398 7.703 1.00 98.89 C ATOM 908 OD1 ASN A 59 10.112 10.154 7.373 1.00 98.89 O ATOM 909 ND2 ASN A 59 8.478 11.635 7.790 1.00 98.89 N ATOM 0 H ASN A 59 5.841 10.663 8.176 1.00 98.89 H new ATOM 0 HA ASN A 59 7.212 9.244 6.022 1.00 98.89 H new ATOM 0 HB2 ASN A 59 7.587 9.429 9.036 1.00 98.89 H new ATOM 0 HB3 ASN A 59 8.523 8.329 8.044 1.00 98.89 H new ATOM 0 HD21 ASN A 59 9.083 12.428 7.580 1.00 98.89 H new ATOM 0 HD22 ASN A 59 7.509 11.792 8.067 1.00 98.89 H new ATOM 916 N LEU A 60 5.821 7.228 6.066 1.00196.24 N ATOM 917 CA LEU A 60 5.170 5.923 6.035 1.00196.24 C ATOM 918 C LEU A 60 6.070 4.881 5.364 1.00196.24 C ATOM 919 O LEU A 60 5.621 3.777 5.055 1.00196.24 O ATOM 920 CB LEU A 60 3.841 6.001 5.279 1.00196.24 C ATOM 921 CG LEU A 60 3.838 6.943 4.066 1.00196.24 C ATOM 922 CD1 LEU A 60 3.099 6.315 2.893 1.00196.24 C ATOM 923 CD2 LEU A 60 3.221 8.281 4.439 1.00196.24 C ATOM 0 H LEU A 60 6.027 7.612 5.144 1.00196.24 H new ATOM 0 HA LEU A 60 4.982 5.623 7.066 1.00196.24 H new ATOM 0 HB2 LEU A 60 3.572 5.000 4.943 1.00196.24 H new ATOM 0 HB3 LEU A 60 3.064 6.324 5.972 1.00196.24 H new ATOM 0 HG LEU A 60 4.870 7.112 3.759 1.00196.24 H new ATOM 0 HD11 LEU A 60 3.111 7.001 2.046 1.00196.24 H new ATOM 0 HD12 LEU A 60 3.589 5.383 2.611 1.00196.24 H new ATOM 0 HD13 LEU A 60 2.068 6.111 3.180 1.00196.24 H new ATOM 0 HD21 LEU A 60 3.225 8.939 3.570 1.00196.24 H new ATOM 0 HD22 LEU A 60 2.195 8.128 4.773 1.00196.24 H new ATOM 0 HD23 LEU A 60 3.800 8.737 5.242 1.00196.24 H new ATOM 935 N SER A 61 7.331 5.241 5.114 1.00 66.14 N ATOM 936 CA SER A 61 8.260 4.332 4.449 1.00 66.14 C ATOM 937 C SER A 61 8.412 3.004 5.185 1.00 66.14 C ATOM 938 O SER A 61 8.420 1.943 4.560 1.00 66.14 O ATOM 939 CB SER A 61 9.630 4.997 4.295 1.00 66.14 C ATOM 940 OG SER A 61 9.536 6.193 3.541 1.00 66.14 O ATOM 0 H SER A 61 7.727 6.148 5.360 1.00 66.14 H new ATOM 0 HA SER A 61 7.840 4.113 3.467 1.00 66.14 H new ATOM 0 HB2 SER A 61 10.044 5.216 5.279 1.00 66.14 H new ATOM 0 HB3 SER A 61 10.319 4.308 3.806 1.00 66.14 H new ATOM 0 HG SER A 61 10.424 6.599 3.459 1.00 66.14 H new ATOM 946 N TYR A 62 8.537 3.055 6.506 1.00 59.69 N ATOM 947 CA TYR A 62 8.693 1.838 7.290 1.00 59.69 C ATOM 948 C TYR A 62 7.406 1.014 7.303 1.00 59.69 C ATOM 949 O TYR A 62 7.455 -0.204 7.200 1.00 59.69 O ATOM 950 CB TYR A 62 9.159 2.185 8.723 1.00 59.69 C ATOM 951 CG TYR A 62 8.679 1.234 9.807 1.00 59.69 C ATOM 952 CD1 TYR A 62 8.944 -0.130 9.750 1.00 59.69 C ATOM 953 CD2 TYR A 62 7.939 1.711 10.872 1.00 59.69 C ATOM 954 CE1 TYR A 62 8.481 -0.985 10.731 1.00 59.69 C ATOM 955 CE2 TYR A 62 7.473 0.868 11.855 1.00 59.69 C ATOM 956 CZ TYR A 62 7.744 -0.480 11.782 1.00 59.69 C ATOM 957 OH TYR A 62 7.281 -1.326 12.762 1.00 59.69 O ATOM 0 H TYR A 62 8.533 3.917 7.051 1.00 59.69 H new ATOM 0 HA TYR A 62 9.460 1.222 6.821 1.00 59.69 H new ATOM 0 HB2 TYR A 62 10.249 2.208 8.738 1.00 59.69 H new ATOM 0 HB3 TYR A 62 8.816 3.191 8.966 1.00 59.69 H new ATOM 0 HD1 TYR A 62 9.520 -0.526 8.927 1.00 59.69 H new ATOM 0 HD2 TYR A 62 7.722 2.767 10.934 1.00 59.69 H new ATOM 0 HE1 TYR A 62 8.695 -2.042 10.676 1.00 59.69 H new ATOM 0 HE2 TYR A 62 6.898 1.262 12.680 1.00 59.69 H new ATOM 0 HH TYR A 62 7.090 -2.205 12.372 1.00 59.69 H new ATOM 967 N ILE A 63 6.270 1.676 7.453 1.00 95.89 N ATOM 968 CA ILE A 63 4.995 0.977 7.508 1.00 95.89 C ATOM 969 C ILE A 63 4.633 0.436 6.141 1.00 95.89 C ATOM 970 O ILE A 63 4.279 -0.733 5.993 1.00 95.89 O ATOM 971 CB ILE A 63 3.872 1.887 8.070 1.00 95.89 C ATOM 972 CG1 ILE A 63 3.270 2.817 7.010 1.00 95.89 C ATOM 973 CG2 ILE A 63 4.395 2.725 9.233 1.00 95.89 C ATOM 974 CD1 ILE A 63 2.080 3.578 7.524 1.00 95.89 C ATOM 0 H ILE A 63 6.204 2.690 7.538 1.00 95.89 H new ATOM 0 HA ILE A 63 5.098 0.136 8.193 1.00 95.89 H new ATOM 0 HB ILE A 63 3.081 1.220 8.412 1.00 95.89 H new ATOM 0 HG12 ILE A 63 4.031 3.522 6.674 1.00 95.89 H new ATOM 0 HG13 ILE A 63 2.974 2.229 6.141 1.00 95.89 H new ATOM 0 HG21 ILE A 63 3.594 3.358 9.615 1.00 95.89 H new ATOM 0 HG22 ILE A 63 4.747 2.066 10.027 1.00 95.89 H new ATOM 0 HG23 ILE A 63 5.219 3.351 8.889 1.00 95.89 H new ATOM 0 HD11 ILE A 63 1.691 4.222 6.735 1.00 95.89 H new ATOM 0 HD12 ILE A 63 1.306 2.876 7.834 1.00 95.89 H new ATOM 0 HD13 ILE A 63 2.379 4.189 8.376 1.00 95.89 H new ATOM 986 N GLU A 64 4.765 1.291 5.137 1.00 77.41 N ATOM 987 CA GLU A 64 4.496 0.896 3.761 1.00 77.41 C ATOM 988 C GLU A 64 5.302 -0.357 3.432 1.00 77.41 C ATOM 989 O GLU A 64 4.876 -1.199 2.643 1.00 77.41 O ATOM 990 CB GLU A 64 4.856 2.029 2.794 1.00 77.41 C ATOM 991 CG GLU A 64 4.509 1.728 1.343 1.00 77.41 C ATOM 992 CD GLU A 64 4.948 2.825 0.389 1.00 77.41 C ATOM 993 OE1 GLU A 64 5.532 3.827 0.857 1.00 77.41 O ATOM 994 OE2 GLU A 64 4.707 2.682 -0.828 1.00 77.41 O ATOM 0 H GLU A 64 5.056 2.262 5.249 1.00 77.41 H new ATOM 0 HA GLU A 64 3.433 0.684 3.651 1.00 77.41 H new ATOM 0 HB2 GLU A 64 4.336 2.936 3.102 1.00 77.41 H new ATOM 0 HB3 GLU A 64 5.924 2.233 2.868 1.00 77.41 H new ATOM 0 HG2 GLU A 64 4.979 0.789 1.050 1.00 77.41 H new ATOM 0 HG3 GLU A 64 3.432 1.586 1.254 1.00 77.41 H new ATOM 1001 N HIS A 65 6.458 -0.487 4.090 1.00 68.54 N ATOM 1002 CA HIS A 65 7.304 -1.656 3.909 1.00 68.54 C ATOM 1003 C HIS A 65 6.641 -2.868 4.538 1.00 68.54 C ATOM 1004 O HIS A 65 6.590 -3.933 3.936 1.00 68.54 O ATOM 1005 CB HIS A 65 8.695 -1.407 4.508 1.00 68.54 C ATOM 1006 CG HIS A 65 9.554 -2.631 4.610 1.00 68.54 C ATOM 1007 ND1 HIS A 65 10.449 -3.021 3.636 1.00 68.54 N ATOM 1008 CD2 HIS A 65 9.635 -3.559 5.590 1.00 68.54 C ATOM 1009 CE1 HIS A 65 11.043 -4.141 4.015 1.00 68.54 C ATOM 1010 NE2 HIS A 65 10.568 -4.486 5.197 1.00 68.54 N ATOM 0 H HIS A 65 6.822 0.202 4.748 1.00 68.54 H new ATOM 0 HA HIS A 65 7.433 -1.848 2.844 1.00 68.54 H new ATOM 0 HB2 HIS A 65 9.212 -0.665 3.899 1.00 68.54 H new ATOM 0 HB3 HIS A 65 8.577 -0.977 5.503 1.00 68.54 H new ATOM 0 HD2 HIS A 65 9.071 -3.569 6.511 1.00 68.54 H new ATOM 0 HE1 HIS A 65 11.790 -4.681 3.452 1.00 68.54 H new ATOM 0 HE2 HIS A 65 10.849 -5.308 5.732 1.00 68.54 H new ATOM 1018 N ILE A 66 6.121 -2.685 5.751 1.00 44.28 N ATOM 1019 CA ILE A 66 5.446 -3.762 6.467 1.00 44.28 C ATOM 1020 C ILE A 66 4.313 -4.300 5.624 1.00 44.28 C ATOM 1021 O ILE A 66 4.193 -5.506 5.406 1.00 44.28 O ATOM 1022 CB ILE A 66 4.893 -3.255 7.815 1.00 44.28 C ATOM 1023 CG1 ILE A 66 6.034 -2.655 8.634 1.00 44.28 C ATOM 1024 CG2 ILE A 66 4.174 -4.359 8.588 1.00 44.28 C ATOM 1025 CD1 ILE A 66 7.241 -3.542 8.766 1.00 44.28 C ATOM 0 H ILE A 66 6.155 -1.800 6.257 1.00 44.28 H new ATOM 0 HA ILE A 66 6.167 -4.556 6.662 1.00 44.28 H new ATOM 0 HB ILE A 66 4.149 -2.483 7.618 1.00 44.28 H new ATOM 0 HG12 ILE A 66 6.339 -1.715 8.175 1.00 44.28 H new ATOM 0 HG13 ILE A 66 5.663 -2.417 9.631 1.00 44.28 H new ATOM 0 HG21 ILE A 66 3.800 -3.959 9.531 1.00 44.28 H new ATOM 0 HG22 ILE A 66 3.339 -4.733 7.996 1.00 44.28 H new ATOM 0 HG23 ILE A 66 4.869 -5.174 8.790 1.00 44.28 H new ATOM 0 HD11 ILE A 66 8.001 -3.036 9.362 1.00 44.28 H new ATOM 0 HD12 ILE A 66 6.956 -4.474 9.255 1.00 44.28 H new ATOM 0 HD13 ILE A 66 7.642 -3.760 7.776 1.00 44.28 H new ATOM 1037 N PHE A 67 3.502 -3.384 5.130 1.00103.95 N ATOM 1038 CA PHE A 67 2.392 -3.745 4.279 1.00103.95 C ATOM 1039 C PHE A 67 2.906 -4.397 2.992 1.00103.95 C ATOM 1040 O PHE A 67 2.262 -5.288 2.440 1.00103.95 O ATOM 1041 CB PHE A 67 1.547 -2.511 3.992 1.00103.95 C ATOM 1042 CG PHE A 67 1.100 -1.845 5.260 1.00103.95 C ATOM 1043 CD1 PHE A 67 0.435 -2.573 6.230 1.00103.95 C ATOM 1044 CD2 PHE A 67 1.372 -0.507 5.495 1.00103.95 C ATOM 1045 CE1 PHE A 67 0.048 -1.982 7.416 1.00103.95 C ATOM 1046 CE2 PHE A 67 0.981 0.094 6.678 1.00103.95 C ATOM 1047 CZ PHE A 67 0.319 -0.649 7.640 1.00103.95 C ATOM 0 H PHE A 67 3.594 -2.383 5.306 1.00103.95 H new ATOM 0 HA PHE A 67 1.760 -4.475 4.785 1.00103.95 H new ATOM 0 HB2 PHE A 67 2.123 -1.806 3.392 1.00103.95 H new ATOM 0 HB3 PHE A 67 0.676 -2.794 3.402 1.00103.95 H new ATOM 0 HD1 PHE A 67 0.216 -3.616 6.057 1.00103.95 H new ATOM 0 HD2 PHE A 67 1.894 0.072 4.748 1.00103.95 H new ATOM 0 HE1 PHE A 67 -0.466 -2.563 8.167 1.00103.95 H new ATOM 0 HE2 PHE A 67 1.192 1.139 6.850 1.00103.95 H new ATOM 0 HZ PHE A 67 0.015 -0.184 8.566 1.00103.95 H new ATOM 1057 N GLU A 68 4.087 -3.958 2.528 1.00 76.40 N ATOM 1058 CA GLU A 68 4.692 -4.520 1.318 1.00 76.40 C ATOM 1059 C GLU A 68 5.209 -5.922 1.574 1.00 76.40 C ATOM 1060 O GLU A 68 4.873 -6.861 0.851 1.00 76.40 O ATOM 1061 CB GLU A 68 5.853 -3.643 0.834 1.00 76.40 C ATOM 1062 CG GLU A 68 6.510 -4.155 -0.438 1.00 76.40 C ATOM 1063 CD GLU A 68 7.725 -3.341 -0.847 1.00 76.40 C ATOM 1064 OE1 GLU A 68 8.063 -2.371 -0.135 1.00 76.40 O ATOM 1065 OE2 GLU A 68 8.342 -3.676 -1.880 1.00 76.40 O ATOM 0 H GLU A 68 4.636 -3.221 2.971 1.00 76.40 H new ATOM 0 HA GLU A 68 3.918 -4.555 0.551 1.00 76.40 H new ATOM 0 HB2 GLU A 68 5.486 -2.631 0.662 1.00 76.40 H new ATOM 0 HB3 GLU A 68 6.604 -3.581 1.622 1.00 76.40 H new ATOM 0 HG2 GLU A 68 6.807 -5.194 -0.294 1.00 76.40 H new ATOM 0 HG3 GLU A 68 5.781 -4.141 -1.248 1.00 76.40 H new ATOM 1072 N ILE A 69 6.027 -6.061 2.606 1.00 33.63 N ATOM 1073 CA ILE A 69 6.581 -7.354 2.945 1.00 33.63 C ATOM 1074 C ILE A 69 5.476 -8.310 3.368 1.00 33.63 C ATOM 1075 O ILE A 69 5.550 -9.513 3.125 1.00 33.63 O ATOM 1076 CB ILE A 69 7.639 -7.243 4.038 1.00 33.63 C ATOM 1077 CG1 ILE A 69 7.042 -6.689 5.331 1.00 33.63 C ATOM 1078 CG2 ILE A 69 8.800 -6.387 3.548 1.00 33.63 C ATOM 1079 CD1 ILE A 69 8.073 -6.467 6.412 1.00 33.63 C ATOM 0 H ILE A 69 6.318 -5.298 3.217 1.00 33.63 H new ATOM 0 HA ILE A 69 7.068 -7.750 2.054 1.00 33.63 H new ATOM 0 HB ILE A 69 8.016 -8.241 4.263 1.00 33.63 H new ATOM 0 HG12 ILE A 69 6.540 -5.746 5.117 1.00 33.63 H new ATOM 0 HG13 ILE A 69 6.282 -7.379 5.698 1.00 33.63 H new ATOM 0 HG21 ILE A 69 9.553 -6.311 4.333 1.00 33.63 H new ATOM 0 HG22 ILE A 69 9.243 -6.846 2.664 1.00 33.63 H new ATOM 0 HG23 ILE A 69 8.437 -5.391 3.296 1.00 33.63 H new ATOM 0 HD11 ILE A 69 7.586 -6.073 7.304 1.00 33.63 H new ATOM 0 HD12 ILE A 69 8.558 -7.413 6.652 1.00 33.63 H new ATOM 0 HD13 ILE A 69 8.820 -5.755 6.062 1.00 33.63 H new ATOM 1091 N SER A 70 4.428 -7.749 3.955 1.00 80.34 N ATOM 1092 CA SER A 70 3.275 -8.536 4.359 1.00 80.34 C ATOM 1093 C SER A 70 2.438 -8.815 3.115 1.00 80.34 C ATOM 1094 O SER A 70 2.441 -8.018 2.176 1.00 80.34 O ATOM 1095 CB SER A 70 2.445 -7.786 5.404 1.00 80.34 C ATOM 1096 OG SER A 70 1.679 -6.756 4.804 1.00 80.34 O ATOM 0 H SER A 70 4.354 -6.753 4.161 1.00 80.34 H new ATOM 0 HA SER A 70 3.603 -9.471 4.812 1.00 80.34 H new ATOM 0 HB2 SER A 70 1.783 -8.484 5.916 1.00 80.34 H new ATOM 0 HB3 SER A 70 3.105 -7.360 6.159 1.00 80.34 H new ATOM 0 HG SER A 70 2.046 -6.548 3.920 1.00 80.34 H new ATOM 1102 N ARG A 71 1.761 -9.954 3.079 1.00144.05 N ATOM 1103 CA ARG A 71 0.975 -10.317 1.905 1.00144.05 C ATOM 1104 C ARG A 71 -0.422 -9.708 1.911 1.00144.05 C ATOM 1105 O ARG A 71 -1.423 -10.415 1.785 1.00144.05 O ATOM 1106 CB ARG A 71 0.909 -11.833 1.760 1.00144.05 C ATOM 1107 CG ARG A 71 2.276 -12.459 1.549 1.00144.05 C ATOM 1108 CD ARG A 71 2.905 -12.009 0.236 1.00144.05 C ATOM 1109 NE ARG A 71 2.177 -12.512 -0.927 1.00144.05 N ATOM 1110 CZ ARG A 71 2.319 -13.743 -1.422 1.00144.05 C ATOM 1111 NH1 ARG A 71 3.128 -14.619 -0.837 1.00144.05 N ATOM 1112 NH2 ARG A 71 1.641 -14.104 -2.504 1.00144.05 N ATOM 0 H ARG A 71 1.738 -10.636 3.837 1.00144.05 H new ATOM 0 HA ARG A 71 1.486 -9.897 1.039 1.00144.05 H new ATOM 0 HB2 ARG A 71 0.452 -12.260 2.652 1.00144.05 H new ATOM 0 HB3 ARG A 71 0.264 -12.086 0.919 1.00144.05 H new ATOM 0 HG2 ARG A 71 2.931 -12.190 2.377 1.00144.05 H new ATOM 0 HG3 ARG A 71 2.184 -13.545 1.555 1.00144.05 H new ATOM 0 HD2 ARG A 71 2.931 -10.920 0.203 1.00144.05 H new ATOM 0 HD3 ARG A 71 3.938 -12.354 0.193 1.00144.05 H new ATOM 0 HE ARG A 71 1.520 -11.883 -1.389 1.00144.05 H new ATOM 0 HH11 ARG A 71 3.648 -14.353 -0.001 1.00144.05 H new ATOM 0 HH12 ARG A 71 3.229 -15.557 -1.224 1.00144.05 H new ATOM 0 HH21 ARG A 71 1.012 -13.441 -2.957 1.00144.05 H new ATOM 0 HH22 ARG A 71 1.749 -15.045 -2.883 1.00144.05 H new ATOM 1126 N ARG A 72 -0.483 -8.388 2.020 1.00183.66 N ATOM 1127 CA ARG A 72 -1.751 -7.685 2.000 1.00183.66 C ATOM 1128 C ARG A 72 -1.626 -6.369 1.234 1.00183.66 C ATOM 1129 O ARG A 72 -1.572 -5.295 1.833 1.00183.66 O ATOM 1130 CB ARG A 72 -2.255 -7.427 3.412 1.00183.66 C ATOM 1131 CG ARG A 72 -3.767 -7.454 3.499 1.00183.66 C ATOM 1132 CD ARG A 72 -4.329 -8.805 3.105 1.00183.66 C ATOM 1133 NE ARG A 72 -5.107 -9.377 4.187 1.00183.66 N ATOM 1134 CZ ARG A 72 -5.896 -10.445 4.063 1.00183.66 C ATOM 1135 NH1 ARG A 72 -6.024 -11.059 2.890 1.00183.66 N ATOM 1136 NH2 ARG A 72 -6.563 -10.900 5.113 1.00183.66 N ATOM 0 H ARG A 72 0.333 -7.785 2.123 1.00183.66 H new ATOM 0 HA ARG A 72 -2.476 -8.318 1.489 1.00183.66 H new ATOM 0 HB2 ARG A 72 -1.842 -8.178 4.085 1.00183.66 H new ATOM 0 HB3 ARG A 72 -1.891 -6.458 3.753 1.00183.66 H new ATOM 0 HG2 ARG A 72 -4.077 -7.214 4.516 1.00183.66 H new ATOM 0 HG3 ARG A 72 -4.182 -6.684 2.849 1.00183.66 H new ATOM 0 HD2 ARG A 72 -4.954 -8.699 2.219 1.00183.66 H new ATOM 0 HD3 ARG A 72 -3.514 -9.479 2.841 1.00183.66 H new ATOM 0 HE ARG A 72 -5.047 -8.933 5.103 1.00183.66 H new ATOM 0 HH11 ARG A 72 -5.516 -10.714 2.076 1.00183.66 H new ATOM 0 HH12 ARG A 72 -6.630 -11.875 2.805 1.00183.66 H new ATOM 0 HH21 ARG A 72 -6.473 -10.434 6.016 1.00183.66 H new ATOM 0 HH22 ARG A 72 -7.167 -11.717 5.019 1.00183.66 H new ATOM 1150 N PRO A 73 -1.572 -6.435 -0.114 1.00130.67 N ATOM 1151 CA PRO A 73 -1.449 -5.242 -0.958 1.00130.67 C ATOM 1152 C PRO A 73 -2.626 -4.279 -0.814 1.00130.67 C ATOM 1153 O PRO A 73 -2.541 -3.130 -1.242 1.00130.67 O ATOM 1154 CB PRO A 73 -1.393 -5.805 -2.383 1.00130.67 C ATOM 1155 CG PRO A 73 -1.995 -7.159 -2.282 1.00130.67 C ATOM 1156 CD PRO A 73 -1.626 -7.669 -0.921 1.00130.67 C ATOM 0 HA PRO A 73 -0.574 -4.654 -0.680 1.00130.67 H new ATOM 0 HB2 PRO A 73 -1.949 -5.176 -3.078 1.00130.67 H new ATOM 0 HB3 PRO A 73 -0.367 -5.855 -2.748 1.00130.67 H new ATOM 0 HG2 PRO A 73 -3.077 -7.116 -2.403 1.00130.67 H new ATOM 0 HG3 PRO A 73 -1.613 -7.816 -3.063 1.00130.67 H new ATOM 0 HD2 PRO A 73 -2.366 -8.371 -0.538 1.00130.67 H new ATOM 0 HD3 PRO A 73 -0.668 -8.189 -0.930 1.00130.67 H new ATOM 1164 N ASP A 74 -3.725 -4.740 -0.218 1.00 56.92 N ATOM 1165 CA ASP A 74 -4.901 -3.890 -0.047 1.00 56.92 C ATOM 1166 C ASP A 74 -4.590 -2.731 0.892 1.00 56.92 C ATOM 1167 O ASP A 74 -4.976 -1.589 0.637 1.00 56.92 O ATOM 1168 CB ASP A 74 -6.069 -4.708 0.513 1.00 56.92 C ATOM 1169 CG ASP A 74 -6.500 -5.829 -0.416 1.00 56.92 C ATOM 1170 OD1 ASP A 74 -6.051 -5.843 -1.581 1.00 56.92 O ATOM 1171 OD2 ASP A 74 -7.286 -6.694 0.026 1.00 56.92 O ATOM 0 H ASP A 74 -3.825 -5.686 0.150 1.00 56.92 H new ATOM 0 HA ASP A 74 -5.179 -3.490 -1.022 1.00 56.92 H new ATOM 0 HB2 ASP A 74 -5.782 -5.130 1.476 1.00 56.92 H new ATOM 0 HB3 ASP A 74 -6.916 -4.046 0.694 1.00 56.92 H new ATOM 1176 N LEU A 75 -3.868 -3.029 1.962 1.00 72.53 N ATOM 1177 CA LEU A 75 -3.476 -2.011 2.928 1.00 72.53 C ATOM 1178 C LEU A 75 -2.414 -1.119 2.317 1.00 72.53 C ATOM 1179 O LEU A 75 -2.514 0.108 2.348 1.00 72.53 O ATOM 1180 CB LEU A 75 -2.917 -2.668 4.186 1.00 72.53 C ATOM 1181 CG LEU A 75 -3.928 -3.423 5.052 1.00 72.53 C ATOM 1182 CD1 LEU A 75 -4.436 -4.644 4.315 1.00 72.53 C ATOM 1183 CD2 LEU A 75 -3.264 -3.833 6.350 1.00 72.53 C ATOM 0 H LEU A 75 -3.541 -3.969 2.184 1.00 72.53 H new ATOM 0 HA LEU A 75 -4.351 -1.418 3.193 1.00 72.53 H new ATOM 0 HB2 LEU A 75 -2.131 -3.363 3.891 1.00 72.53 H new ATOM 0 HB3 LEU A 75 -2.448 -1.897 4.798 1.00 72.53 H new ATOM 0 HG LEU A 75 -4.776 -2.774 5.269 1.00 72.53 H new ATOM 0 HD11 LEU A 75 -5.155 -5.174 4.940 1.00 72.53 H new ATOM 0 HD12 LEU A 75 -4.920 -4.335 3.389 1.00 72.53 H new ATOM 0 HD13 LEU A 75 -3.600 -5.304 4.085 1.00 72.53 H new ATOM 0 HD21 LEU A 75 -3.980 -4.371 6.971 1.00 72.53 H new ATOM 0 HD22 LEU A 75 -2.413 -4.479 6.135 1.00 72.53 H new ATOM 0 HD23 LEU A 75 -2.921 -2.944 6.880 1.00 72.53 H new ATOM 1195 N LEU A 76 -1.396 -1.757 1.743 1.00 57.08 N ATOM 1196 CA LEU A 76 -0.301 -1.048 1.097 1.00 57.08 C ATOM 1197 C LEU A 76 -0.833 -0.095 0.038 1.00 57.08 C ATOM 1198 O LEU A 76 -0.363 1.031 -0.094 1.00 57.08 O ATOM 1199 CB LEU A 76 0.660 -2.038 0.446 1.00 57.08 C ATOM 1200 CG LEU A 76 1.910 -1.403 -0.172 1.00 57.08 C ATOM 1201 CD1 LEU A 76 3.162 -1.835 0.571 1.00 57.08 C ATOM 1202 CD2 LEU A 76 2.022 -1.751 -1.651 1.00 57.08 C ATOM 0 H LEU A 76 -1.310 -2.773 1.714 1.00 57.08 H new ATOM 0 HA LEU A 76 0.229 -0.477 1.859 1.00 57.08 H new ATOM 0 HB2 LEU A 76 0.971 -2.767 1.194 1.00 57.08 H new ATOM 0 HB3 LEU A 76 0.126 -2.586 -0.330 1.00 57.08 H new ATOM 0 HG LEU A 76 1.814 -0.321 -0.081 1.00 57.08 H new ATOM 0 HD11 LEU A 76 4.035 -1.371 0.113 1.00 57.08 H new ATOM 0 HD12 LEU A 76 3.091 -1.525 1.614 1.00 57.08 H new ATOM 0 HD13 LEU A 76 3.259 -2.919 0.520 1.00 57.08 H new ATOM 0 HD21 LEU A 76 2.917 -1.289 -2.067 1.00 57.08 H new ATOM 0 HD22 LEU A 76 2.085 -2.833 -1.766 1.00 57.08 H new ATOM 0 HD23 LEU A 76 1.144 -1.381 -2.179 1.00 57.08 H new ATOM 1214 N THR A 77 -1.830 -0.562 -0.707 1.00 38.46 N ATOM 1215 CA THR A 77 -2.451 0.229 -1.750 1.00 38.46 C ATOM 1216 C THR A 77 -2.970 1.552 -1.199 1.00 38.46 C ATOM 1217 O THR A 77 -2.778 2.596 -1.810 1.00 38.46 O ATOM 1218 CB THR A 77 -3.609 -0.559 -2.393 1.00 38.46 C ATOM 1219 OG1 THR A 77 -3.097 -1.669 -3.138 1.00 38.46 O ATOM 1220 CG2 THR A 77 -4.456 0.316 -3.300 1.00 38.46 C ATOM 0 H THR A 77 -2.225 -1.496 -0.601 1.00 38.46 H new ATOM 0 HA THR A 77 -1.696 0.444 -2.506 1.00 38.46 H new ATOM 0 HB THR A 77 -4.245 -0.919 -1.585 1.00 38.46 H new ATOM 0 HG1 THR A 77 -2.614 -2.273 -2.535 1.00 38.46 H new ATOM 0 HG21 THR A 77 -5.260 -0.279 -3.732 1.00 38.46 H new ATOM 0 HG22 THR A 77 -4.882 1.135 -2.721 1.00 38.46 H new ATOM 0 HG23 THR A 77 -3.835 0.721 -4.099 1.00 38.46 H new ATOM 1228 N MET A 78 -3.634 1.504 -0.053 1.00 70.15 N ATOM 1229 CA MET A 78 -4.169 2.716 0.542 1.00 70.15 C ATOM 1230 C MET A 78 -3.035 3.658 0.914 1.00 70.15 C ATOM 1231 O MET A 78 -3.128 4.868 0.712 1.00 70.15 O ATOM 1232 CB MET A 78 -5.033 2.373 1.748 1.00 70.15 C ATOM 1233 CG MET A 78 -6.302 1.643 1.349 1.00 70.15 C ATOM 1234 SD MET A 78 -7.364 2.630 0.276 1.00 70.15 S ATOM 1235 CE MET A 78 -7.710 4.039 1.328 1.00 70.15 C ATOM 0 H MET A 78 -3.813 0.650 0.476 1.00 70.15 H new ATOM 0 HA MET A 78 -4.802 3.226 -0.184 1.00 70.15 H new ATOM 0 HB2 MET A 78 -4.461 1.754 2.440 1.00 70.15 H new ATOM 0 HB3 MET A 78 -5.293 3.288 2.280 1.00 70.15 H new ATOM 0 HG2 MET A 78 -6.038 0.716 0.840 1.00 70.15 H new ATOM 0 HG3 MET A 78 -6.855 1.367 2.247 1.00 70.15 H new ATOM 0 HE1 MET A 78 -8.754 4.013 1.639 1.00 70.15 H new ATOM 0 HE2 MET A 78 -7.068 4.002 2.208 1.00 70.15 H new ATOM 0 HE3 MET A 78 -7.518 4.960 0.777 1.00 70.15 H new ATOM 1245 N VAL A 79 -1.949 3.085 1.421 1.00 44.32 N ATOM 1246 CA VAL A 79 -0.774 3.859 1.782 1.00 44.32 C ATOM 1247 C VAL A 79 -0.116 4.406 0.521 1.00 44.32 C ATOM 1248 O VAL A 79 0.255 5.577 0.449 1.00 44.32 O ATOM 1249 CB VAL A 79 0.243 2.986 2.540 1.00 44.32 C ATOM 1250 CG1 VAL A 79 1.405 3.825 3.038 1.00 44.32 C ATOM 1251 CG2 VAL A 79 -0.435 2.247 3.682 1.00 44.32 C ATOM 0 H VAL A 79 -1.861 2.083 1.591 1.00 44.32 H new ATOM 0 HA VAL A 79 -1.088 4.679 2.428 1.00 44.32 H new ATOM 0 HB VAL A 79 0.643 2.242 1.851 1.00 44.32 H new ATOM 0 HG11 VAL A 79 2.111 3.188 3.571 1.00 44.32 H new ATOM 0 HG12 VAL A 79 1.906 4.293 2.190 1.00 44.32 H new ATOM 0 HG13 VAL A 79 1.034 4.598 3.711 1.00 44.32 H new ATOM 0 HG21 VAL A 79 0.299 1.635 4.206 1.00 44.32 H new ATOM 0 HG22 VAL A 79 -0.868 2.968 4.375 1.00 44.32 H new ATOM 0 HG23 VAL A 79 -1.223 1.607 3.284 1.00 44.32 H new ATOM 1261 N VAL A 80 0.002 3.536 -0.476 1.00 90.77 N ATOM 1262 CA VAL A 80 0.588 3.890 -1.762 1.00 90.77 C ATOM 1263 C VAL A 80 -0.263 4.937 -2.470 1.00 90.77 C ATOM 1264 O VAL A 80 0.239 5.956 -2.939 1.00 90.77 O ATOM 1265 CB VAL A 80 0.698 2.633 -2.661 1.00 90.77 C ATOM 1266 CG1 VAL A 80 1.255 2.981 -4.037 1.00 90.77 C ATOM 1267 CG2 VAL A 80 1.546 1.560 -1.986 1.00 90.77 C ATOM 0 H VAL A 80 -0.306 2.566 -0.415 1.00 90.77 H new ATOM 0 HA VAL A 80 1.582 4.300 -1.581 1.00 90.77 H new ATOM 0 HB VAL A 80 -0.307 2.236 -2.803 1.00 90.77 H new ATOM 0 HG11 VAL A 80 1.319 2.077 -4.643 1.00 90.77 H new ATOM 0 HG12 VAL A 80 0.596 3.699 -4.525 1.00 90.77 H new ATOM 0 HG13 VAL A 80 2.248 3.416 -3.928 1.00 90.77 H new ATOM 0 HG21 VAL A 80 1.610 0.686 -2.634 1.00 90.77 H new ATOM 0 HG22 VAL A 80 2.547 1.950 -1.802 1.00 90.77 H new ATOM 0 HG23 VAL A 80 1.087 1.276 -1.039 1.00 90.77 H new ATOM 1277 N ASP A 81 -1.559 4.669 -2.546 1.00 37.97 N ATOM 1278 CA ASP A 81 -2.490 5.575 -3.193 1.00 37.97 C ATOM 1279 C ASP A 81 -2.479 6.923 -2.495 1.00 37.97 C ATOM 1280 O ASP A 81 -2.528 7.969 -3.142 1.00 37.97 O ATOM 1281 CB ASP A 81 -3.901 4.977 -3.199 1.00 37.97 C ATOM 1282 CG ASP A 81 -4.034 3.805 -4.153 1.00 37.97 C ATOM 1283 OD1 ASP A 81 -3.091 3.562 -4.936 1.00 37.97 O ATOM 1284 OD2 ASP A 81 -5.084 3.130 -4.119 1.00 37.97 O ATOM 0 H ASP A 81 -1.989 3.826 -2.165 1.00 37.97 H new ATOM 0 HA ASP A 81 -2.178 5.720 -4.227 1.00 37.97 H new ATOM 0 HB2 ASP A 81 -4.158 4.651 -2.191 1.00 37.97 H new ATOM 0 HB3 ASP A 81 -4.618 5.750 -3.476 1.00 37.97 H new ATOM 1289 N TYR A 82 -2.388 6.892 -1.170 1.00130.70 N ATOM 1290 CA TYR A 82 -2.341 8.112 -0.396 1.00130.70 C ATOM 1291 C TYR A 82 -1.082 8.901 -0.719 1.00130.70 C ATOM 1292 O TYR A 82 -1.118 10.123 -0.866 1.00130.70 O ATOM 1293 CB TYR A 82 -2.374 7.773 1.090 1.00130.70 C ATOM 1294 CG TYR A 82 -1.955 8.903 2.001 1.00130.70 C ATOM 1295 CD1 TYR A 82 -0.607 9.169 2.211 1.00130.70 C ATOM 1296 CD2 TYR A 82 -2.887 9.692 2.645 1.00130.70 C ATOM 1297 CE1 TYR A 82 -0.205 10.190 3.040 1.00130.70 C ATOM 1298 CE2 TYR A 82 -2.491 10.715 3.476 1.00130.70 C ATOM 1299 CZ TYR A 82 -1.151 10.961 3.673 1.00130.70 C ATOM 1300 OH TYR A 82 -0.757 11.988 4.499 1.00130.70 O ATOM 0 H TYR A 82 -2.346 6.036 -0.618 1.00130.70 H new ATOM 0 HA TYR A 82 -3.206 8.724 -0.650 1.00130.70 H new ATOM 0 HB2 TYR A 82 -3.385 7.464 1.357 1.00130.70 H new ATOM 0 HB3 TYR A 82 -1.722 6.918 1.269 1.00130.70 H new ATOM 0 HD1 TYR A 82 0.137 8.564 1.715 1.00130.70 H new ATOM 0 HD2 TYR A 82 -3.940 9.504 2.495 1.00130.70 H new ATOM 0 HE1 TYR A 82 0.846 10.385 3.193 1.00130.70 H new ATOM 0 HE2 TYR A 82 -3.231 11.324 3.973 1.00130.70 H new ATOM 0 HH TYR A 82 0.114 11.774 4.894 1.00130.70 H new ATOM 1310 N ARG A 83 0.038 8.189 -0.807 1.00265.02 N ATOM 1311 CA ARG A 83 1.327 8.808 -1.087 1.00265.02 C ATOM 1312 C ARG A 83 1.222 9.736 -2.288 1.00265.02 C ATOM 1313 O ARG A 83 1.686 10.863 -2.241 1.00265.02 O ATOM 1314 CB ARG A 83 2.375 7.702 -1.313 1.00265.02 C ATOM 1315 CG ARG A 83 3.627 8.146 -2.059 1.00265.02 C ATOM 1316 CD ARG A 83 3.587 7.693 -3.510 1.00265.02 C ATOM 1317 NE ARG A 83 4.794 8.079 -4.238 1.00265.02 N ATOM 1318 CZ ARG A 83 5.017 7.793 -5.522 1.00265.02 C ATOM 1319 NH1 ARG A 83 4.131 7.092 -6.223 1.00265.02 N ATOM 1320 NH2 ARG A 83 6.132 8.209 -6.106 1.00265.02 N ATOM 0 H ARG A 83 0.077 7.177 -0.687 1.00265.02 H new ATOM 0 HA ARG A 83 1.639 9.416 -0.238 1.00265.02 H new ATOM 0 HB2 ARG A 83 2.671 7.299 -0.344 1.00265.02 H new ATOM 0 HB3 ARG A 83 1.909 6.888 -1.868 1.00265.02 H new ATOM 0 HG2 ARG A 83 3.715 9.232 -2.016 1.00265.02 H new ATOM 0 HG3 ARG A 83 4.511 7.735 -1.570 1.00265.02 H new ATOM 0 HD2 ARG A 83 3.471 6.610 -3.548 1.00265.02 H new ATOM 0 HD3 ARG A 83 2.714 8.124 -4.000 1.00265.02 H new ATOM 0 HE ARG A 83 5.511 8.600 -3.733 1.00265.02 H new ATOM 0 HH11 ARG A 83 3.272 6.768 -5.780 1.00265.02 H new ATOM 0 HH12 ARG A 83 4.311 6.879 -7.204 1.00265.02 H new ATOM 0 HH21 ARG A 83 6.817 8.746 -5.574 1.00265.02 H new ATOM 0 HH22 ARG A 83 6.305 7.992 -7.087 1.00265.02 H new ATOM 1334 N THR A 84 0.594 9.246 -3.338 1.00259.68 N ATOM 1335 CA THR A 84 0.395 10.007 -4.552 1.00259.68 C ATOM 1336 C THR A 84 -0.734 11.038 -4.419 1.00259.68 C ATOM 1337 O THR A 84 -0.628 12.156 -4.923 1.00259.68 O ATOM 1338 CB THR A 84 0.059 9.050 -5.704 1.00259.68 C ATOM 1339 OG1 THR A 84 1.141 8.135 -5.920 1.00259.68 O ATOM 1340 CG2 THR A 84 -0.238 9.805 -6.983 1.00259.68 C ATOM 0 H THR A 84 0.206 8.303 -3.372 1.00259.68 H new ATOM 0 HA THR A 84 1.320 10.548 -4.751 1.00259.68 H new ATOM 0 HB THR A 84 -0.835 8.494 -5.423 1.00259.68 H new ATOM 0 HG1 THR A 84 0.915 7.529 -6.656 1.00259.68 H new ATOM 0 HG21 THR A 84 -0.472 9.097 -7.778 1.00259.68 H new ATOM 0 HG22 THR A 84 -1.089 10.467 -6.825 1.00259.68 H new ATOM 0 HG23 THR A 84 0.633 10.395 -7.268 1.00259.68 H new ATOM 1348 N ARG A 85 -1.836 10.628 -3.798 1.00220.68 N ATOM 1349 CA ARG A 85 -3.007 11.494 -3.674 1.00220.68 C ATOM 1350 C ARG A 85 -2.715 12.736 -2.842 1.00220.68 C ATOM 1351 O ARG A 85 -3.025 13.854 -3.252 1.00220.68 O ATOM 1352 CB ARG A 85 -4.191 10.706 -3.082 1.00220.68 C ATOM 1353 CG ARG A 85 -4.312 10.747 -1.562 1.00220.68 C ATOM 1354 CD ARG A 85 -5.377 9.792 -1.082 1.00220.68 C ATOM 1355 NE ARG A 85 -5.576 9.868 0.365 1.00220.68 N ATOM 1356 CZ ARG A 85 -6.436 9.107 1.044 1.00220.68 C ATOM 1357 NH1 ARG A 85 -7.179 8.202 0.415 1.00220.68 N ATOM 1358 NH2 ARG A 85 -6.548 9.250 2.356 1.00220.68 N ATOM 0 H ARG A 85 -1.944 9.706 -3.374 1.00220.68 H new ATOM 0 HA ARG A 85 -3.272 11.835 -4.675 1.00220.68 H new ATOM 0 HB2 ARG A 85 -5.114 11.093 -3.513 1.00220.68 H new ATOM 0 HB3 ARG A 85 -4.105 9.665 -3.394 1.00220.68 H new ATOM 0 HG2 ARG A 85 -3.355 10.488 -1.110 1.00220.68 H new ATOM 0 HG3 ARG A 85 -4.553 11.760 -1.239 1.00220.68 H new ATOM 0 HD2 ARG A 85 -6.316 10.014 -1.588 1.00220.68 H new ATOM 0 HD3 ARG A 85 -5.100 8.774 -1.356 1.00220.68 H new ATOM 0 HE ARG A 85 -5.022 10.546 0.888 1.00220.68 H new ATOM 0 HH11 ARG A 85 -7.094 8.085 -0.595 1.00220.68 H new ATOM 0 HH12 ARG A 85 -7.834 7.624 0.942 1.00220.68 H new ATOM 0 HH21 ARG A 85 -5.978 9.940 2.844 1.00220.68 H new ATOM 0 HH22 ARG A 85 -7.205 8.670 2.878 1.00220.68 H new ATOM 1372 N VAL A 86 -2.112 12.536 -1.681 1.00 63.58 N ATOM 1373 CA VAL A 86 -1.780 13.648 -0.816 1.00 63.58 C ATOM 1374 C VAL A 86 -0.600 14.407 -1.416 1.00 63.58 C ATOM 1375 O VAL A 86 -0.496 15.622 -1.277 1.00 63.58 O ATOM 1376 CB VAL A 86 -1.501 13.179 0.632 1.00 63.58 C ATOM 1377 CG1 VAL A 86 -0.917 14.296 1.491 1.00 63.58 C ATOM 1378 CG2 VAL A 86 -2.796 12.664 1.247 1.00 63.58 C ATOM 0 H VAL A 86 -1.846 11.620 -1.321 1.00 63.58 H new ATOM 0 HA VAL A 86 -2.633 14.324 -0.751 1.00 63.58 H new ATOM 0 HB VAL A 86 -0.760 12.381 0.596 1.00 63.58 H new ATOM 0 HG11 VAL A 86 -0.737 13.923 2.499 1.00 63.58 H new ATOM 0 HG12 VAL A 86 0.023 14.636 1.056 1.00 63.58 H new ATOM 0 HG13 VAL A 86 -1.619 15.128 1.532 1.00 63.58 H new ATOM 0 HG21 VAL A 86 -2.607 12.332 2.268 1.00 63.58 H new ATOM 0 HG22 VAL A 86 -3.537 13.463 1.257 1.00 63.58 H new ATOM 0 HG23 VAL A 86 -3.172 11.828 0.657 1.00 63.58 H new ATOM 1583 N LEU A 99 16.058 28.224 -2.918 1.00281.45 N ATOM 1584 CA LEU A 99 15.911 29.650 -2.685 1.00281.45 C ATOM 1585 C LEU A 99 15.370 29.923 -1.281 1.00281.45 C ATOM 1586 O LEU A 99 14.657 29.097 -0.710 1.00281.45 O ATOM 1587 CB LEU A 99 14.992 30.238 -3.751 1.00281.45 C ATOM 1588 CG LEU A 99 15.324 29.824 -5.189 1.00281.45 C ATOM 1589 CD1 LEU A 99 14.468 30.600 -6.181 1.00281.45 C ATOM 1590 CD2 LEU A 99 16.807 30.024 -5.484 1.00281.45 C ATOM 0 HA LEU A 99 16.888 30.128 -2.752 1.00281.45 H new ATOM 0 HB2 LEU A 99 13.967 29.941 -3.530 1.00281.45 H new ATOM 0 HB3 LEU A 99 15.030 31.325 -3.683 1.00281.45 H new ATOM 0 HG LEU A 99 15.099 28.763 -5.298 1.00281.45 H new ATOM 0 HD11 LEU A 99 14.718 30.292 -7.196 1.00281.45 H new ATOM 0 HD12 LEU A 99 13.414 30.397 -5.989 1.00281.45 H new ATOM 0 HD13 LEU A 99 14.658 31.667 -6.068 1.00281.45 H new ATOM 0 HD21 LEU A 99 17.018 29.723 -6.510 1.00281.45 H new ATOM 0 HD22 LEU A 99 17.065 31.075 -5.354 1.00281.45 H new ATOM 0 HD23 LEU A 99 17.399 29.417 -4.799 1.00281.45 H new ATOM 1602 N THR A 100 15.739 31.072 -0.715 1.00235.89 N ATOM 1603 CA THR A 100 15.317 31.429 0.637 1.00235.89 C ATOM 1604 C THR A 100 13.917 32.089 0.677 1.00235.89 C ATOM 1605 O THR A 100 12.922 31.426 0.389 1.00235.89 O ATOM 1606 CB THR A 100 16.372 32.326 1.321 1.00235.89 C ATOM 1607 OG1 THR A 100 16.573 33.518 0.552 1.00235.89 O ATOM 1608 CG2 THR A 100 17.692 31.592 1.482 1.00235.89 C ATOM 0 H THR A 100 16.328 31.769 -1.171 1.00235.89 H new ATOM 0 HA THR A 100 15.234 30.497 1.196 1.00235.89 H new ATOM 0 HB THR A 100 16.002 32.589 2.312 1.00235.89 H new ATOM 0 HG1 THR A 100 17.242 34.083 0.993 1.00235.89 H new ATOM 0 HG21 THR A 100 18.416 32.247 1.966 1.00235.89 H new ATOM 0 HG22 THR A 100 17.541 30.703 2.094 1.00235.89 H new ATOM 0 HG23 THR A 100 18.067 31.299 0.502 1.00235.89 H new ATOM 1616 N ARG A 101 13.829 33.379 1.047 1.00326.00 N ATOM 1617 CA ARG A 101 12.547 34.068 1.132 1.00326.00 C ATOM 1618 C ARG A 101 12.227 34.759 -0.183 1.00326.00 C ATOM 1619 O ARG A 101 12.416 35.967 -0.327 1.00326.00 O ATOM 1620 CB ARG A 101 12.569 35.088 2.272 1.00326.00 C ATOM 1621 CG ARG A 101 13.125 34.526 3.573 1.00326.00 C ATOM 1622 CD ARG A 101 14.642 34.608 3.613 1.00326.00 C ATOM 1623 NE ARG A 101 15.136 35.336 4.779 1.00326.00 N ATOM 1624 CZ ARG A 101 16.430 35.523 5.044 1.00326.00 C ATOM 1625 NH1 ARG A 101 17.365 35.029 4.237 1.00326.00 N ATOM 1626 NH2 ARG A 101 16.792 36.203 6.122 1.00326.00 N ATOM 0 H ARG A 101 14.634 33.957 1.290 1.00326.00 H new ATOM 0 HA ARG A 101 11.770 33.330 1.335 1.00326.00 H new ATOM 0 HB2 ARG A 101 13.168 35.947 1.970 1.00326.00 H new ATOM 0 HB3 ARG A 101 11.556 35.451 2.445 1.00326.00 H new ATOM 0 HG2 ARG A 101 12.708 35.077 4.416 1.00326.00 H new ATOM 0 HG3 ARG A 101 12.813 33.488 3.685 1.00326.00 H new ATOM 0 HD2 ARG A 101 15.056 33.600 3.617 1.00326.00 H new ATOM 0 HD3 ARG A 101 15.000 35.096 2.706 1.00326.00 H new ATOM 0 HE ARG A 101 14.452 35.724 5.428 1.00326.00 H new ATOM 0 HH11 ARG A 101 17.095 34.502 3.407 1.00326.00 H new ATOM 0 HH12 ARG A 101 18.352 35.178 4.449 1.00326.00 H new ATOM 0 HH21 ARG A 101 16.082 36.583 6.748 1.00326.00 H new ATOM 0 HH22 ARG A 101 17.781 36.347 6.326 1.00326.00 H new ATOM 1640 N ILE A 102 11.765 33.977 -1.145 1.00164.55 N ATOM 1641 CA ILE A 102 11.440 34.494 -2.463 1.00164.55 C ATOM 1642 C ILE A 102 9.928 34.621 -2.641 1.00164.55 C ATOM 1643 O ILE A 102 9.290 33.731 -3.202 1.00164.55 O ATOM 1644 CB ILE A 102 12.028 33.584 -3.571 1.00164.55 C ATOM 1645 CG1 ILE A 102 13.562 33.580 -3.513 1.00164.55 C ATOM 1646 CG2 ILE A 102 11.565 34.022 -4.959 1.00164.55 C ATOM 1647 CD1 ILE A 102 14.133 33.043 -2.220 1.00164.55 C ATOM 0 H ILE A 102 11.606 32.975 -1.036 1.00164.55 H new ATOM 0 HA ILE A 102 11.885 35.485 -2.550 1.00164.55 H new ATOM 0 HB ILE A 102 11.661 32.574 -3.390 1.00164.55 H new ATOM 0 HG12 ILE A 102 13.944 32.983 -4.341 1.00164.55 H new ATOM 0 HG13 ILE A 102 13.922 34.598 -3.661 1.00164.55 H new ATOM 0 HG21 ILE A 102 11.996 33.362 -5.712 1.00164.55 H new ATOM 0 HG22 ILE A 102 10.477 33.972 -5.013 1.00164.55 H new ATOM 0 HG23 ILE A 102 11.890 35.046 -5.145 1.00164.55 H new ATOM 0 HD11 ILE A 102 15.222 33.075 -2.262 1.00164.55 H new ATOM 0 HD12 ILE A 102 13.784 33.653 -1.387 1.00164.55 H new ATOM 0 HD13 ILE A 102 13.806 32.013 -2.078 1.00164.55 H new ATOM 1659 N PRO A 103 9.330 35.730 -2.181 1.00 72.69 N ATOM 1660 CA PRO A 103 7.891 35.948 -2.318 1.00 72.69 C ATOM 1661 C PRO A 103 7.442 35.954 -3.779 1.00 72.69 C ATOM 1662 O PRO A 103 6.262 35.766 -4.074 1.00 72.69 O ATOM 1663 CB PRO A 103 7.668 37.317 -1.679 1.00 72.69 C ATOM 1664 CG PRO A 103 9.004 37.969 -1.679 1.00 72.69 C ATOM 1665 CD PRO A 103 9.996 36.860 -1.510 1.00 72.69 C ATOM 0 HA PRO A 103 7.314 35.152 -1.848 1.00 72.69 H new ATOM 0 HB2 PRO A 103 6.944 37.903 -2.245 1.00 72.69 H new ATOM 0 HB3 PRO A 103 7.277 37.220 -0.666 1.00 72.69 H new ATOM 0 HG2 PRO A 103 9.176 38.510 -2.610 1.00 72.69 H new ATOM 0 HG3 PRO A 103 9.086 38.694 -0.869 1.00 72.69 H new ATOM 0 HD2 PRO A 103 10.954 37.099 -1.972 1.00 72.69 H new ATOM 0 HD3 PRO A 103 10.193 36.649 -0.459 1.00 72.69 H new ATOM 1673 N SER A 104 8.390 36.167 -4.693 1.00159.85 N ATOM 1674 CA SER A 104 8.088 36.190 -6.120 1.00159.85 C ATOM 1675 C SER A 104 8.020 34.776 -6.714 1.00159.85 C ATOM 1676 O SER A 104 7.684 34.611 -7.885 1.00159.85 O ATOM 1677 CB SER A 104 9.144 37.011 -6.860 1.00159.85 C ATOM 1678 OG SER A 104 10.380 36.320 -6.917 1.00159.85 O ATOM 0 H SER A 104 9.372 36.326 -4.468 1.00159.85 H new ATOM 0 HA SER A 104 7.107 36.649 -6.243 1.00159.85 H new ATOM 0 HB2 SER A 104 8.798 37.228 -7.871 1.00159.85 H new ATOM 0 HB3 SER A 104 9.282 37.969 -6.358 1.00159.85 H new ATOM 0 HG SER A 104 11.038 36.865 -7.397 1.00159.85 H new ATOM 1684 N ALA A 105 8.340 33.760 -5.909 1.00293.58 N ATOM 1685 CA ALA A 105 8.307 32.378 -6.374 1.00293.58 C ATOM 1686 C ALA A 105 7.780 31.456 -5.286 1.00293.58 C ATOM 1687 O ALA A 105 6.797 30.741 -5.481 1.00293.58 O ATOM 1688 CB ALA A 105 9.694 31.928 -6.799 1.00293.58 C ATOM 0 H ALA A 105 8.624 33.871 -4.936 1.00293.58 H new ATOM 0 HA ALA A 105 7.637 32.327 -7.232 1.00293.58 H new ATOM 0 HB1 ALA A 105 9.652 30.895 -7.143 1.00293.58 H new ATOM 0 HB2 ALA A 105 10.051 32.565 -7.608 1.00293.58 H new ATOM 0 HB3 ALA A 105 10.376 32.000 -5.952 1.00293.58 H new ATOM 1694 N LYS A 106 8.444 31.483 -4.140 1.00328.40 N ATOM 1695 CA LYS A 106 8.052 30.657 -3.013 1.00328.40 C ATOM 1696 C LYS A 106 6.887 31.297 -2.277 1.00328.40 C ATOM 1697 O LYS A 106 6.832 32.519 -2.131 1.00328.40 O ATOM 1698 CB LYS A 106 9.230 30.470 -2.058 1.00328.40 C ATOM 1699 CG LYS A 106 10.446 29.837 -2.710 1.00328.40 C ATOM 1700 CD LYS A 106 11.489 29.452 -1.675 1.00328.40 C ATOM 1701 CE LYS A 106 11.091 28.192 -0.920 1.00328.40 C ATOM 1702 NZ LYS A 106 12.211 27.213 -0.849 1.00328.40 N ATOM 0 H LYS A 106 9.259 32.071 -3.968 1.00328.40 H new ATOM 0 HA LYS A 106 7.744 29.681 -3.387 1.00328.40 H new ATOM 0 HB2 LYS A 106 9.512 31.440 -1.647 1.00328.40 H new ATOM 0 HB3 LYS A 106 8.913 29.849 -1.220 1.00328.40 H new ATOM 0 HG2 LYS A 106 10.142 28.952 -3.270 1.00328.40 H new ATOM 0 HG3 LYS A 106 10.881 30.534 -3.426 1.00328.40 H new ATOM 0 HD2 LYS A 106 12.449 29.294 -2.166 1.00328.40 H new ATOM 0 HD3 LYS A 106 11.623 30.272 -0.970 1.00328.40 H new ATOM 0 HE2 LYS A 106 10.776 28.457 0.089 1.00328.40 H new ATOM 0 HE3 LYS A 106 10.234 27.730 -1.411 1.00328.40 H new ATOM 0 HZ1 LYS A 106 12.101 26.620 -0.002 1.00328.40 H new ATOM 0 HZ2 LYS A 106 12.200 26.611 -1.697 1.00328.40 H new ATOM 0 HZ3 LYS A 106 13.116 27.724 -0.799 1.00328.40 H new ATOM 1716 N LYS A 107 5.951 30.477 -1.821 1.00281.61 N ATOM 1717 CA LYS A 107 4.791 30.990 -1.112 1.00281.61 C ATOM 1718 C LYS A 107 5.013 31.025 0.391 1.00281.61 C ATOM 1719 O LYS A 107 5.190 29.993 1.038 1.00281.61 O ATOM 1720 CB LYS A 107 3.553 30.167 -1.440 1.00281.61 C ATOM 1721 CG LYS A 107 3.151 30.256 -2.902 1.00281.61 C ATOM 1722 CD LYS A 107 2.587 31.628 -3.244 1.00281.61 C ATOM 1723 CE LYS A 107 1.255 31.883 -2.553 1.00281.61 C ATOM 1724 NZ LYS A 107 0.109 31.777 -3.499 1.00281.61 N ATOM 0 H LYS A 107 5.972 29.463 -1.929 1.00281.61 H new ATOM 0 HA LYS A 107 4.637 32.015 -1.448 1.00281.61 H new ATOM 0 HB2 LYS A 107 3.738 29.124 -1.183 1.00281.61 H new ATOM 0 HB3 LYS A 107 2.723 30.506 -0.820 1.00281.61 H new ATOM 0 HG2 LYS A 107 4.017 30.050 -3.531 1.00281.61 H new ATOM 0 HG3 LYS A 107 2.407 29.490 -3.123 1.00281.61 H new ATOM 0 HD2 LYS A 107 3.301 32.397 -2.951 1.00281.61 H new ATOM 0 HD3 LYS A 107 2.457 31.708 -4.323 1.00281.61 H new ATOM 0 HE2 LYS A 107 1.124 31.167 -1.742 1.00281.61 H new ATOM 0 HE3 LYS A 107 1.264 32.876 -2.103 1.00281.61 H new ATOM 0 HZ1 LYS A 107 -0.780 31.957 -2.990 1.00281.61 H new ATOM 0 HZ2 LYS A 107 0.221 32.478 -4.259 1.00281.61 H new ATOM 0 HZ3 LYS A 107 0.085 30.822 -3.909 1.00281.61 H new ATOM 1738 N TYR A 108 4.975 32.231 0.929 1.00309.62 N ATOM 1739 CA TYR A 108 5.138 32.464 2.352 1.00309.62 C ATOM 1740 C TYR A 108 3.948 31.911 3.127 1.00309.62 C ATOM 1741 O TYR A 108 2.908 31.589 2.551 1.00309.62 O ATOM 1742 CB TYR A 108 5.293 33.968 2.612 1.00309.62 C ATOM 1743 CG TYR A 108 4.076 34.818 2.260 1.00309.62 C ATOM 1744 CD1 TYR A 108 2.981 34.297 1.568 1.00309.62 C ATOM 1745 CD2 TYR A 108 4.030 36.155 2.632 1.00309.62 C ATOM 1746 CE1 TYR A 108 1.888 35.078 1.267 1.00309.62 C ATOM 1747 CE2 TYR A 108 2.936 36.946 2.330 1.00309.62 C ATOM 1748 CZ TYR A 108 1.867 36.403 1.652 1.00309.62 C ATOM 1749 OH TYR A 108 0.780 37.190 1.352 1.00309.62 O ATOM 0 H TYR A 108 4.829 33.082 0.386 1.00309.62 H new ATOM 0 HA TYR A 108 6.034 31.947 2.694 1.00309.62 H new ATOM 0 HB2 TYR A 108 5.526 34.116 3.666 1.00309.62 H new ATOM 0 HB3 TYR A 108 6.148 34.333 2.042 1.00309.62 H new ATOM 0 HD1 TYR A 108 2.992 33.261 1.263 1.00309.62 H new ATOM 0 HD2 TYR A 108 4.864 36.585 3.167 1.00309.62 H new ATOM 0 HE1 TYR A 108 1.050 34.655 0.732 1.00309.62 H new ATOM 0 HE2 TYR A 108 2.920 37.985 2.625 1.00309.62 H new ATOM 0 HH TYR A 108 0.927 38.096 1.696 1.00309.62 H new ATOM 1759 N LYS A 109 4.101 31.785 4.435 1.00276.51 N ATOM 1760 CA LYS A 109 3.019 31.266 5.268 1.00276.51 C ATOM 1761 C LYS A 109 2.281 32.380 5.996 1.00276.51 C ATOM 1762 O LYS A 109 1.477 32.116 6.889 1.00276.51 O ATOM 1763 CB LYS A 109 3.517 30.209 6.267 1.00276.51 C ATOM 1764 CG LYS A 109 5.005 30.293 6.581 1.00276.51 C ATOM 1765 CD LYS A 109 5.362 29.479 7.814 1.00276.51 C ATOM 1766 CE LYS A 109 4.626 29.988 9.044 1.00276.51 C ATOM 1767 NZ LYS A 109 5.441 29.849 10.283 1.00276.51 N ATOM 0 H LYS A 109 4.951 32.030 4.942 1.00276.51 H new ATOM 0 HA LYS A 109 2.316 30.781 4.591 1.00276.51 H new ATOM 0 HB2 LYS A 109 2.956 30.311 7.196 1.00276.51 H new ATOM 0 HB3 LYS A 109 3.297 29.218 5.869 1.00276.51 H new ATOM 0 HG2 LYS A 109 5.579 29.932 5.727 1.00276.51 H new ATOM 0 HG3 LYS A 109 5.287 31.334 6.737 1.00276.51 H new ATOM 0 HD2 LYS A 109 5.112 28.431 7.646 1.00276.51 H new ATOM 0 HD3 LYS A 109 6.437 29.527 7.985 1.00276.51 H new ATOM 0 HE2 LYS A 109 4.362 31.036 8.900 1.00276.51 H new ATOM 0 HE3 LYS A 109 3.693 29.437 9.161 1.00276.51 H new ATOM 0 HZ1 LYS A 109 4.901 30.208 11.096 1.00276.51 H new ATOM 0 HZ2 LYS A 109 5.672 28.847 10.436 1.00276.51 H new ATOM 0 HZ3 LYS A 109 6.320 30.395 10.183 1.00276.51 H new ATOM 1781 N ASP A 110 2.506 33.620 5.577 1.00203.92 N ATOM 1782 CA ASP A 110 1.798 34.749 6.162 1.00203.92 C ATOM 1783 C ASP A 110 0.305 34.580 5.897 1.00203.92 C ATOM 1784 O ASP A 110 -0.536 34.976 6.706 1.00203.92 O ATOM 1785 CB ASP A 110 2.299 36.067 5.574 1.00203.92 C ATOM 1786 CG ASP A 110 3.719 36.394 5.998 1.00203.92 C ATOM 1787 OD1 ASP A 110 4.226 35.739 6.934 1.00203.92 O ATOM 1788 OD2 ASP A 110 4.324 37.304 5.394 1.00203.92 O ATOM 0 H ASP A 110 3.167 33.867 4.841 1.00203.92 H new ATOM 0 HA ASP A 110 1.982 34.776 7.236 1.00203.92 H new ATOM 0 HB2 ASP A 110 2.251 36.016 4.486 1.00203.92 H new ATOM 0 HB3 ASP A 110 1.636 36.874 5.885 1.00203.92 H new ATOM 1793 N ILE A 111 -0.007 33.945 4.764 1.00 50.97 N ATOM 1794 CA ILE A 111 -1.371 33.663 4.390 1.00 50.97 C ATOM 1795 C ILE A 111 -1.779 32.331 5.013 1.00 50.97 C ATOM 1796 O ILE A 111 -0.977 31.399 5.071 1.00 50.97 O ATOM 1797 CB ILE A 111 -1.522 33.638 2.846 1.00 50.97 C ATOM 1798 CG1 ILE A 111 -1.271 35.033 2.271 1.00 50.97 C ATOM 1799 CG2 ILE A 111 -2.894 33.134 2.434 1.00 50.97 C ATOM 1800 CD1 ILE A 111 -1.356 35.085 0.761 1.00 50.97 C ATOM 0 H ILE A 111 0.686 33.618 4.091 1.00 50.97 H new ATOM 0 HA ILE A 111 -2.029 34.449 4.761 1.00 50.97 H new ATOM 0 HB ILE A 111 -0.780 32.949 2.444 1.00 50.97 H new ATOM 0 HG12 ILE A 111 -1.998 35.728 2.693 1.00 50.97 H new ATOM 0 HG13 ILE A 111 -0.284 35.375 2.584 1.00 50.97 H new ATOM 0 HG21 ILE A 111 -2.968 33.128 1.347 1.00 50.97 H new ATOM 0 HG22 ILE A 111 -3.039 32.122 2.813 1.00 50.97 H new ATOM 0 HG23 ILE A 111 -3.661 33.789 2.847 1.00 50.97 H new ATOM 0 HD11 ILE A 111 -1.168 36.103 0.421 1.00 50.97 H new ATOM 0 HD12 ILE A 111 -0.611 34.415 0.331 1.00 50.97 H new ATOM 0 HD13 ILE A 111 -2.351 34.774 0.442 1.00 50.97 H new ATOM 1812 N ILE A 112 -3.009 32.245 5.500 1.00108.96 N ATOM 1813 CA ILE A 112 -3.471 31.020 6.137 1.00108.96 C ATOM 1814 C ILE A 112 -4.014 30.039 5.107 1.00108.96 C ATOM 1815 O ILE A 112 -5.128 30.194 4.607 1.00108.96 O ATOM 1816 CB ILE A 112 -4.561 31.316 7.190 1.00108.96 C ATOM 1817 CG1 ILE A 112 -4.076 32.386 8.172 1.00108.96 C ATOM 1818 CG2 ILE A 112 -4.940 30.044 7.938 1.00108.96 C ATOM 1819 CD1 ILE A 112 -2.766 32.042 8.850 1.00108.96 C ATOM 0 H ILE A 112 -3.697 32.998 5.467 1.00108.96 H new ATOM 0 HA ILE A 112 -2.612 30.572 6.635 1.00108.96 H new ATOM 0 HB ILE A 112 -5.446 31.691 6.675 1.00108.96 H new ATOM 0 HG12 ILE A 112 -3.962 33.330 7.640 1.00108.96 H new ATOM 0 HG13 ILE A 112 -4.840 32.540 8.934 1.00108.96 H new ATOM 0 HG21 ILE A 112 -5.709 30.271 8.676 1.00108.96 H new ATOM 0 HG22 ILE A 112 -5.321 29.307 7.232 1.00108.96 H new ATOM 0 HG23 ILE A 112 -4.061 29.643 8.442 1.00108.96 H new ATOM 0 HD11 ILE A 112 -2.486 32.846 9.531 1.00108.96 H new ATOM 0 HD12 ILE A 112 -2.879 31.115 9.411 1.00108.96 H new ATOM 0 HD13 ILE A 112 -1.988 31.917 8.097 1.00108.96 H new