USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 799 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 84 LYS NZ :NH3+ 176:sc= 1.18 (180deg=1.12) USER MOD Set 1.2: A 87 MET CE :methyl 176:sc= -0.153 (180deg=-0.184) USER MOD Set 2.1: A 45 LYS NZ :NH3+ -147:sc= 0.012 (180deg=-2.89!) USER MOD Set 2.2: A 104 GLN : amide:sc= 1.16 K(o=1.2,f=-13!) USER MOD Set 3.1: A 40 SER OG : rot -156:sc= 0.896 USER MOD Set 3.2: A 42 ASN : amide:sc= 0.667 X(o=1.6,f=1.5) USER MOD Set 4.1: A 8 SER OG : rot 180:sc=-0.00747 USER MOD Set 4.2: A 39 MET CE :methyl 168:sc= -0.0546 (180deg=-0.0385) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.241 (180deg=-0.0211) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.111 K(o=-0.11,f=-2.7!) USER MOD Single : A 19 CYS SG : rot 180:sc= -0.0295 USER MOD Single : A 24 THR OG1 : rot 80:sc= 0.564 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 139:sc= 0.202 (180deg=-0.231) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot -123:sc= 1.24 USER MOD Single : A 34 SER OG : rot -35:sc= 0.747 USER MOD Single : A 37 SER OG : rot 180:sc= 0.011 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.3) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -165:sc= 1.12 (180deg=1.02) USER MOD Single : A 69 GLN : amide:sc= 0.303 K(o=0.3,f=-4.7!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.0412 USER MOD Single : A 83 THR OG1 : rot -112:sc= 1.23 USER MOD Single : A 85 SER OG : rot 70:sc= 1.07 USER MOD Single : A 92 ASN : amide:sc= 0.866 K(o=0.87,f=-3.4!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 1.15 (180deg=1.15) USER MOD Single : A 106 MET CE :methyl -166:sc= -0.0106 (180deg=-0.22) USER MOD Single : A 108 HIS : no HE2:sc= -0.303 K(o=-0.3,f=-2.4!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.163 2.990 3.489 1.00 4.00 N ATOM 2 CA MET A 1 -17.337 3.591 2.431 1.00 2.63 C ATOM 3 C MET A 1 -15.933 3.009 2.514 1.00 2.20 C ATOM 4 O MET A 1 -15.668 2.243 3.439 1.00 2.82 O ATOM 5 CB MET A 1 -17.302 5.122 2.547 1.00 3.53 C ATOM 6 CG MET A 1 -18.682 5.778 2.443 1.00 4.50 C ATOM 7 SD MET A 1 -19.762 5.112 1.150 1.00 5.21 S ATOM 8 CE MET A 1 -21.079 6.347 1.179 1.00 6.25 C ATOM 0 H1 MET A 1 -18.987 2.521 3.062 1.00 4.00 H new ATOM 0 H2 MET A 1 -17.600 2.291 4.014 1.00 4.00 H new ATOM 0 H3 MET A 1 -18.487 3.733 4.140 1.00 4.00 H new ATOM 0 HA MET A 1 -17.775 3.356 1.461 1.00 2.63 H new ATOM 0 HB2 MET A 1 -16.850 5.395 3.501 1.00 3.53 H new ATOM 0 HB3 MET A 1 -16.659 5.523 1.763 1.00 3.53 H new ATOM 0 HG2 MET A 1 -19.187 5.676 3.403 1.00 4.50 H new ATOM 0 HG3 MET A 1 -18.546 6.845 2.266 1.00 4.50 H new ATOM 0 HE1 MET A 1 -21.835 6.090 0.438 1.00 6.25 H new ATOM 0 HE2 MET A 1 -21.534 6.370 2.169 1.00 6.25 H new ATOM 0 HE3 MET A 1 -20.663 7.328 0.948 1.00 6.25 H new ATOM 20 N SER A 2 -15.076 3.386 1.566 1.00 1.67 N ATOM 21 CA SER A 2 -13.681 2.999 1.483 1.00 2.06 C ATOM 22 C SER A 2 -12.948 4.183 0.853 1.00 1.38 C ATOM 23 O SER A 2 -13.595 5.116 0.383 1.00 1.63 O ATOM 24 CB SER A 2 -13.536 1.741 0.609 1.00 3.14 C ATOM 25 OG SER A 2 -14.512 0.769 0.934 1.00 3.94 O ATOM 0 H SER A 2 -15.356 4.000 0.801 1.00 1.67 H new ATOM 0 HA SER A 2 -13.269 2.761 2.464 1.00 2.06 H new ATOM 0 HB2 SER A 2 -13.629 2.014 -0.442 1.00 3.14 H new ATOM 0 HB3 SER A 2 -12.541 1.317 0.742 1.00 3.14 H new ATOM 0 HG SER A 2 -14.394 -0.017 0.361 1.00 3.94 H new ATOM 31 N ILE A 3 -11.618 4.114 0.778 1.00 0.95 N ATOM 32 CA ILE A 3 -10.756 5.122 0.162 1.00 0.56 C ATOM 33 C ILE A 3 -11.217 5.522 -1.247 1.00 0.68 C ATOM 34 O ILE A 3 -10.970 6.638 -1.702 1.00 0.84 O ATOM 35 CB ILE A 3 -9.290 4.645 0.165 1.00 0.79 C ATOM 36 CG1 ILE A 3 -8.926 3.604 -0.908 1.00 1.47 C ATOM 37 CG2 ILE A 3 -8.866 4.143 1.549 1.00 0.83 C ATOM 38 CD1 ILE A 3 -9.585 2.229 -0.776 1.00 1.51 C ATOM 0 H ILE A 3 -11.093 3.326 1.158 1.00 0.95 H new ATOM 0 HA ILE A 3 -10.831 6.025 0.767 1.00 0.56 H new ATOM 0 HB ILE A 3 -8.726 5.540 -0.098 1.00 0.79 H new ATOM 0 HG12 ILE A 3 -9.186 4.015 -1.884 1.00 1.47 H new ATOM 0 HG13 ILE A 3 -7.845 3.467 -0.897 1.00 1.47 H new ATOM 0 HG21 ILE A 3 -7.827 3.815 1.514 1.00 0.83 H new ATOM 0 HG22 ILE A 3 -8.968 4.949 2.275 1.00 0.83 H new ATOM 0 HG23 ILE A 3 -9.501 3.307 1.843 1.00 0.83 H new ATOM 0 HD11 ILE A 3 -9.250 1.585 -1.589 1.00 1.51 H new ATOM 0 HD12 ILE A 3 -9.307 1.782 0.179 1.00 1.51 H new ATOM 0 HD13 ILE A 3 -10.668 2.339 -0.823 1.00 1.51 H new ATOM 50 N THR A 4 -11.885 4.591 -1.937 1.00 0.92 N ATOM 51 CA THR A 4 -12.566 4.800 -3.191 1.00 1.18 C ATOM 52 C THR A 4 -13.368 6.106 -3.144 1.00 1.29 C ATOM 53 O THR A 4 -13.200 6.975 -3.998 1.00 2.34 O ATOM 54 CB THR A 4 -13.403 3.535 -3.482 1.00 1.52 C ATOM 55 OG1 THR A 4 -13.447 3.306 -4.861 1.00 1.94 O ATOM 56 CG2 THR A 4 -14.825 3.503 -2.907 1.00 1.97 C ATOM 0 H THR A 4 -11.961 3.628 -1.608 1.00 0.92 H new ATOM 0 HA THR A 4 -11.873 4.931 -4.022 1.00 1.18 H new ATOM 0 HB THR A 4 -12.881 2.739 -2.952 1.00 1.52 H new ATOM 0 HG1 THR A 4 -13.977 2.502 -5.042 1.00 1.94 H new ATOM 0 HG21 THR A 4 -15.307 2.564 -3.181 1.00 1.97 H new ATOM 0 HG22 THR A 4 -14.780 3.585 -1.821 1.00 1.97 H new ATOM 0 HG23 THR A 4 -15.399 4.337 -3.310 1.00 1.97 H new ATOM 64 N ASP A 5 -14.175 6.283 -2.092 1.00 0.90 N ATOM 65 CA ASP A 5 -15.110 7.387 -1.949 1.00 1.15 C ATOM 66 C ASP A 5 -14.409 8.606 -1.336 1.00 1.20 C ATOM 67 O ASP A 5 -14.894 9.217 -0.388 1.00 2.05 O ATOM 68 CB ASP A 5 -16.307 6.909 -1.114 1.00 1.41 C ATOM 69 CG ASP A 5 -17.433 7.935 -1.049 1.00 2.01 C ATOM 70 OD1 ASP A 5 -17.634 8.628 -2.069 1.00 2.14 O ATOM 71 OD2 ASP A 5 -18.105 7.970 0.004 1.00 3.38 O ATOM 0 H ASP A 5 -14.191 5.641 -1.299 1.00 0.90 H new ATOM 0 HA ASP A 5 -15.480 7.705 -2.924 1.00 1.15 H new ATOM 0 HB2 ASP A 5 -16.692 5.981 -1.538 1.00 1.41 H new ATOM 0 HB3 ASP A 5 -15.970 6.682 -0.102 1.00 1.41 H new ATOM 76 N VAL A 6 -13.222 8.931 -1.858 1.00 0.59 N ATOM 77 CA VAL A 6 -12.440 10.090 -1.442 1.00 0.59 C ATOM 78 C VAL A 6 -11.773 10.705 -2.671 1.00 0.47 C ATOM 79 O VAL A 6 -11.971 11.878 -2.977 1.00 0.49 O ATOM 80 CB VAL A 6 -11.394 9.704 -0.373 1.00 0.74 C ATOM 81 CG1 VAL A 6 -10.704 10.966 0.166 1.00 1.52 C ATOM 82 CG2 VAL A 6 -12.006 8.941 0.809 1.00 1.38 C ATOM 0 H VAL A 6 -12.774 8.384 -2.593 1.00 0.59 H new ATOM 0 HA VAL A 6 -13.102 10.826 -0.986 1.00 0.59 H new ATOM 0 HB VAL A 6 -10.677 9.047 -0.864 1.00 0.74 H new ATOM 0 HG11 VAL A 6 -9.968 10.685 0.919 1.00 1.52 H new ATOM 0 HG12 VAL A 6 -10.205 11.486 -0.652 1.00 1.52 H new ATOM 0 HG13 VAL A 6 -11.448 11.624 0.614 1.00 1.52 H new ATOM 0 HG21 VAL A 6 -11.224 8.696 1.528 1.00 1.38 H new ATOM 0 HG22 VAL A 6 -12.761 9.562 1.291 1.00 1.38 H new ATOM 0 HG23 VAL A 6 -12.468 8.022 0.449 1.00 1.38 H new ATOM 92 N LEU A 7 -10.958 9.901 -3.353 1.00 0.44 N ATOM 93 CA LEU A 7 -10.129 10.312 -4.481 1.00 0.45 C ATOM 94 C LEU A 7 -9.535 9.041 -5.083 1.00 0.45 C ATOM 95 O LEU A 7 -9.659 8.777 -6.280 1.00 0.46 O ATOM 96 CB LEU A 7 -9.013 11.257 -3.990 1.00 0.57 C ATOM 97 CG LEU A 7 -8.040 11.699 -5.101 1.00 0.81 C ATOM 98 CD1 LEU A 7 -8.578 12.910 -5.871 1.00 1.20 C ATOM 99 CD2 LEU A 7 -6.674 12.039 -4.493 1.00 1.25 C ATOM 0 H LEU A 7 -10.855 8.912 -3.126 1.00 0.44 H new ATOM 0 HA LEU A 7 -10.713 10.850 -5.228 1.00 0.45 H new ATOM 0 HB2 LEU A 7 -9.468 12.142 -3.545 1.00 0.57 H new ATOM 0 HB3 LEU A 7 -8.448 10.759 -3.202 1.00 0.57 H new ATOM 0 HG LEU A 7 -7.936 10.871 -5.803 1.00 0.81 H new ATOM 0 HD11 LEU A 7 -7.866 13.194 -6.646 1.00 1.20 H new ATOM 0 HD12 LEU A 7 -9.532 12.654 -6.331 1.00 1.20 H new ATOM 0 HD13 LEU A 7 -8.719 13.745 -5.184 1.00 1.20 H new ATOM 0 HD21 LEU A 7 -5.991 12.351 -5.284 1.00 1.25 H new ATOM 0 HD22 LEU A 7 -6.788 12.849 -3.772 1.00 1.25 H new ATOM 0 HD23 LEU A 7 -6.270 11.160 -3.991 1.00 1.25 H new ATOM 111 N SER A 8 -8.922 8.243 -4.203 1.00 0.50 N ATOM 112 CA SER A 8 -8.048 7.134 -4.522 1.00 0.52 C ATOM 113 C SER A 8 -8.568 6.150 -5.563 1.00 0.49 C ATOM 114 O SER A 8 -7.756 5.448 -6.144 1.00 0.46 O ATOM 115 CB SER A 8 -7.665 6.426 -3.228 1.00 0.61 C ATOM 116 OG SER A 8 -7.141 7.385 -2.333 1.00 1.02 O ATOM 0 H SER A 8 -9.035 8.369 -3.197 1.00 0.50 H new ATOM 0 HA SER A 8 -7.174 7.568 -5.009 1.00 0.52 H new ATOM 0 HB2 SER A 8 -8.536 5.936 -2.792 1.00 0.61 H new ATOM 0 HB3 SER A 8 -6.927 5.648 -3.425 1.00 0.61 H new ATOM 0 HG SER A 8 -6.891 6.946 -1.493 1.00 1.02 H new ATOM 122 N ALA A 9 -9.877 6.067 -5.817 1.00 0.55 N ATOM 123 CA ALA A 9 -10.396 5.276 -6.927 1.00 0.57 C ATOM 124 C ALA A 9 -9.676 5.611 -8.240 1.00 0.55 C ATOM 125 O ALA A 9 -9.224 4.718 -8.958 1.00 0.60 O ATOM 126 CB ALA A 9 -11.900 5.529 -7.076 1.00 0.69 C ATOM 0 H ALA A 9 -10.594 6.540 -5.266 1.00 0.55 H new ATOM 0 HA ALA A 9 -10.218 4.223 -6.709 1.00 0.57 H new ATOM 0 HB1 ALA A 9 -12.288 4.938 -7.906 1.00 0.69 H new ATOM 0 HB2 ALA A 9 -12.410 5.242 -6.156 1.00 0.69 H new ATOM 0 HB3 ALA A 9 -12.073 6.587 -7.272 1.00 0.69 H new ATOM 132 N ASP A 10 -9.562 6.904 -8.549 1.00 0.52 N ATOM 133 CA ASP A 10 -8.942 7.340 -9.794 1.00 0.53 C ATOM 134 C ASP A 10 -7.457 6.961 -9.789 1.00 0.51 C ATOM 135 O ASP A 10 -6.917 6.415 -10.754 1.00 0.52 O ATOM 136 CB ASP A 10 -9.152 8.850 -9.952 1.00 0.55 C ATOM 137 CG ASP A 10 -8.832 9.300 -11.369 1.00 0.61 C ATOM 138 OD1 ASP A 10 -7.632 9.477 -11.656 1.00 1.66 O ATOM 139 OD2 ASP A 10 -9.804 9.461 -12.139 1.00 1.84 O ATOM 0 H ASP A 10 -9.891 7.664 -7.953 1.00 0.52 H new ATOM 0 HA ASP A 10 -9.402 6.843 -10.648 1.00 0.53 H new ATOM 0 HB2 ASP A 10 -10.184 9.104 -9.710 1.00 0.55 H new ATOM 0 HB3 ASP A 10 -8.518 9.385 -9.245 1.00 0.55 H new ATOM 144 N ASP A 11 -6.817 7.186 -8.639 1.00 0.52 N ATOM 145 CA ASP A 11 -5.402 6.959 -8.447 1.00 0.52 C ATOM 146 C ASP A 11 -5.103 5.477 -8.653 1.00 0.48 C ATOM 147 O ASP A 11 -4.221 5.115 -9.428 1.00 0.49 O ATOM 148 CB ASP A 11 -4.985 7.408 -7.044 1.00 0.56 C ATOM 149 CG ASP A 11 -5.080 8.910 -6.810 1.00 1.33 C ATOM 150 OD1 ASP A 11 -4.211 9.640 -7.333 1.00 2.53 O ATOM 151 OD2 ASP A 11 -6.004 9.304 -6.069 1.00 2.19 O ATOM 0 H ASP A 11 -7.287 7.538 -7.805 1.00 0.52 H new ATOM 0 HA ASP A 11 -4.832 7.541 -9.171 1.00 0.52 H new ATOM 0 HB2 ASP A 11 -5.611 6.898 -6.312 1.00 0.56 H new ATOM 0 HB3 ASP A 11 -3.959 7.089 -6.864 1.00 0.56 H new ATOM 156 N ILE A 12 -5.849 4.597 -7.978 1.00 0.48 N ATOM 157 CA ILE A 12 -5.668 3.175 -8.122 1.00 0.51 C ATOM 158 C ILE A 12 -5.970 2.712 -9.542 1.00 0.47 C ATOM 159 O ILE A 12 -5.249 1.867 -10.062 1.00 0.49 O ATOM 160 CB ILE A 12 -6.407 2.369 -7.054 1.00 0.60 C ATOM 161 CG1 ILE A 12 -7.934 2.324 -7.194 1.00 0.58 C ATOM 162 CG2 ILE A 12 -5.917 2.714 -5.642 1.00 0.67 C ATOM 163 CD1 ILE A 12 -8.613 1.476 -6.116 1.00 0.81 C ATOM 0 H ILE A 12 -6.586 4.862 -7.325 1.00 0.48 H new ATOM 0 HA ILE A 12 -4.612 2.971 -7.948 1.00 0.51 H new ATOM 0 HB ILE A 12 -6.131 1.331 -7.241 1.00 0.60 H new ATOM 0 HG12 ILE A 12 -8.327 3.340 -7.149 1.00 0.58 H new ATOM 0 HG13 ILE A 12 -8.191 1.926 -8.176 1.00 0.58 H new ATOM 0 HG21 ILE A 12 -6.466 2.121 -4.911 1.00 0.67 H new ATOM 0 HG22 ILE A 12 -4.853 2.493 -5.562 1.00 0.67 H new ATOM 0 HG23 ILE A 12 -6.083 3.774 -5.448 1.00 0.67 H new ATOM 0 HD11 ILE A 12 -9.692 1.485 -6.272 1.00 0.81 H new ATOM 0 HD12 ILE A 12 -8.247 0.451 -6.175 1.00 0.81 H new ATOM 0 HD13 ILE A 12 -8.385 1.887 -5.133 1.00 0.81 H new ATOM 175 N ALA A 13 -7.006 3.262 -10.182 1.00 0.46 N ATOM 176 CA ALA A 13 -7.280 2.968 -11.584 1.00 0.50 C ATOM 177 C ALA A 13 -6.046 3.255 -12.452 1.00 0.50 C ATOM 178 O ALA A 13 -5.679 2.430 -13.289 1.00 0.56 O ATOM 179 CB ALA A 13 -8.515 3.731 -12.068 1.00 0.54 C ATOM 0 H ALA A 13 -7.664 3.910 -9.750 1.00 0.46 H new ATOM 0 HA ALA A 13 -7.501 1.905 -11.680 1.00 0.50 H new ATOM 0 HB1 ALA A 13 -8.700 3.496 -13.116 1.00 0.54 H new ATOM 0 HB2 ALA A 13 -9.380 3.439 -11.472 1.00 0.54 H new ATOM 0 HB3 ALA A 13 -8.346 4.802 -11.961 1.00 0.54 H new ATOM 185 N ALA A 14 -5.380 4.395 -12.241 1.00 0.48 N ATOM 186 CA ALA A 14 -4.121 4.681 -12.921 1.00 0.54 C ATOM 187 C ALA A 14 -3.047 3.654 -12.537 1.00 0.49 C ATOM 188 O ALA A 14 -2.494 2.980 -13.407 1.00 0.50 O ATOM 189 CB ALA A 14 -3.660 6.110 -12.624 1.00 0.61 C ATOM 0 H ALA A 14 -5.694 5.130 -11.607 1.00 0.48 H new ATOM 0 HA ALA A 14 -4.284 4.600 -13.996 1.00 0.54 H new ATOM 0 HB1 ALA A 14 -2.720 6.304 -13.140 1.00 0.61 H new ATOM 0 HB2 ALA A 14 -4.416 6.815 -12.970 1.00 0.61 H new ATOM 0 HB3 ALA A 14 -3.516 6.230 -11.550 1.00 0.61 H new ATOM 195 N ALA A 15 -2.770 3.517 -11.236 1.00 0.48 N ATOM 196 CA ALA A 15 -1.750 2.649 -10.668 1.00 0.49 C ATOM 197 C ALA A 15 -1.819 1.244 -11.265 1.00 0.52 C ATOM 198 O ALA A 15 -0.819 0.668 -11.695 1.00 0.56 O ATOM 199 CB ALA A 15 -1.930 2.595 -9.146 1.00 0.53 C ATOM 0 H ALA A 15 -3.280 4.037 -10.521 1.00 0.48 H new ATOM 0 HA ALA A 15 -0.768 3.056 -10.908 1.00 0.49 H new ATOM 0 HB1 ALA A 15 -1.169 1.946 -8.712 1.00 0.53 H new ATOM 0 HB2 ALA A 15 -1.830 3.598 -8.732 1.00 0.53 H new ATOM 0 HB3 ALA A 15 -2.919 2.202 -8.910 1.00 0.53 H new ATOM 205 N LEU A 16 -3.042 0.714 -11.288 1.00 0.54 N ATOM 206 CA LEU A 16 -3.404 -0.579 -11.835 1.00 0.60 C ATOM 207 C LEU A 16 -2.849 -0.737 -13.246 1.00 0.59 C ATOM 208 O LEU A 16 -2.391 -1.815 -13.615 1.00 0.62 O ATOM 209 CB LEU A 16 -4.940 -0.716 -11.819 1.00 0.64 C ATOM 210 CG LEU A 16 -5.546 -1.783 -12.752 1.00 1.20 C ATOM 211 CD1 LEU A 16 -5.151 -3.209 -12.351 1.00 1.88 C ATOM 212 CD2 LEU A 16 -7.074 -1.656 -12.737 1.00 2.39 C ATOM 0 H LEU A 16 -3.846 1.209 -10.902 1.00 0.54 H new ATOM 0 HA LEU A 16 -2.971 -1.372 -11.225 1.00 0.60 H new ATOM 0 HB2 LEU A 16 -5.252 -0.939 -10.799 1.00 0.64 H new ATOM 0 HB3 LEU A 16 -5.371 0.250 -12.081 1.00 0.64 H new ATOM 0 HG LEU A 16 -5.151 -1.606 -13.753 1.00 1.20 H new ATOM 0 HD11 LEU A 16 -5.605 -3.920 -13.041 1.00 1.88 H new ATOM 0 HD12 LEU A 16 -4.066 -3.310 -12.387 1.00 1.88 H new ATOM 0 HD13 LEU A 16 -5.501 -3.412 -11.339 1.00 1.88 H new ATOM 0 HD21 LEU A 16 -7.508 -2.408 -13.395 1.00 2.39 H new ATOM 0 HD22 LEU A 16 -7.442 -1.806 -11.722 1.00 2.39 H new ATOM 0 HD23 LEU A 16 -7.360 -0.663 -13.083 1.00 2.39 H new ATOM 224 N GLN A 17 -2.951 0.323 -14.047 1.00 0.57 N ATOM 225 CA GLN A 17 -2.649 0.297 -15.462 1.00 0.57 C ATOM 226 C GLN A 17 -1.153 0.549 -15.661 1.00 0.59 C ATOM 227 O GLN A 17 -0.505 -0.183 -16.406 1.00 0.63 O ATOM 228 CB GLN A 17 -3.576 1.296 -16.173 1.00 0.63 C ATOM 229 CG GLN A 17 -3.846 0.953 -17.647 1.00 1.21 C ATOM 230 CD GLN A 17 -2.775 1.449 -18.612 1.00 2.49 C ATOM 231 OE1 GLN A 17 -1.756 2.002 -18.216 1.00 3.59 O ATOM 232 NE2 GLN A 17 -3.014 1.274 -19.909 1.00 3.57 N ATOM 0 H GLN A 17 -3.253 1.239 -13.715 1.00 0.57 H new ATOM 0 HA GLN A 17 -2.843 -0.676 -15.912 1.00 0.57 H new ATOM 0 HB2 GLN A 17 -4.526 1.338 -15.640 1.00 0.63 H new ATOM 0 HB3 GLN A 17 -3.134 2.291 -16.116 1.00 0.63 H new ATOM 0 HG2 GLN A 17 -3.935 -0.129 -17.746 1.00 1.21 H new ATOM 0 HG3 GLN A 17 -4.806 1.380 -17.937 1.00 1.21 H new ATOM 0 HE21 GLN A 17 -3.871 0.810 -20.212 1.00 3.57 H new ATOM 0 HE22 GLN A 17 -2.341 1.604 -20.601 1.00 3.57 H new ATOM 241 N GLU A 18 -0.595 1.547 -14.965 1.00 0.62 N ATOM 242 CA GLU A 18 0.817 1.891 -15.097 1.00 0.70 C ATOM 243 C GLU A 18 1.698 0.710 -14.669 1.00 0.73 C ATOM 244 O GLU A 18 2.647 0.350 -15.363 1.00 0.86 O ATOM 245 CB GLU A 18 1.130 3.229 -14.390 1.00 0.74 C ATOM 246 CG GLU A 18 1.582 3.158 -12.923 1.00 0.90 C ATOM 247 CD GLU A 18 1.754 4.554 -12.319 1.00 1.88 C ATOM 248 OE1 GLU A 18 0.696 5.179 -12.079 1.00 3.45 O ATOM 249 OE2 GLU A 18 2.919 4.980 -12.107 1.00 2.47 O ATOM 0 H GLU A 18 -1.107 2.130 -14.303 1.00 0.62 H new ATOM 0 HA GLU A 18 1.059 2.068 -16.145 1.00 0.70 H new ATOM 0 HB2 GLU A 18 1.908 3.738 -14.959 1.00 0.74 H new ATOM 0 HB3 GLU A 18 0.238 3.854 -14.439 1.00 0.74 H new ATOM 0 HG2 GLU A 18 0.849 2.597 -12.343 1.00 0.90 H new ATOM 0 HG3 GLU A 18 2.524 2.614 -12.858 1.00 0.90 H new ATOM 256 N CYS A 19 1.355 0.072 -13.548 1.00 0.69 N ATOM 257 CA CYS A 19 2.017 -1.113 -13.035 1.00 0.74 C ATOM 258 C CYS A 19 1.101 -2.299 -13.320 1.00 0.65 C ATOM 259 O CYS A 19 0.588 -2.879 -12.369 1.00 0.84 O ATOM 260 CB CYS A 19 2.253 -0.959 -11.523 1.00 0.90 C ATOM 261 SG CYS A 19 3.549 0.257 -11.202 1.00 1.48 S ATOM 0 H CYS A 19 0.583 0.382 -12.958 1.00 0.69 H new ATOM 0 HA CYS A 19 2.987 -1.262 -13.510 1.00 0.74 H new ATOM 0 HB2 CYS A 19 1.329 -0.651 -11.035 1.00 0.90 H new ATOM 0 HB3 CYS A 19 2.535 -1.920 -11.094 1.00 0.90 H new ATOM 0 HG CYS A 19 3.729 0.371 -9.920 1.00 1.48 H new ATOM 267 N ARG A 20 0.886 -2.676 -14.587 1.00 0.60 N ATOM 268 CA ARG A 20 0.042 -3.827 -14.939 1.00 0.58 C ATOM 269 C ARG A 20 0.849 -5.074 -15.331 1.00 0.55 C ATOM 270 O ARG A 20 0.257 -6.121 -15.586 1.00 0.98 O ATOM 271 CB ARG A 20 -0.967 -3.430 -16.029 1.00 0.74 C ATOM 272 CG ARG A 20 -2.131 -4.430 -16.140 1.00 1.47 C ATOM 273 CD ARG A 20 -3.442 -3.724 -16.514 1.00 2.25 C ATOM 274 NE ARG A 20 -4.578 -4.661 -16.544 1.00 3.61 N ATOM 275 CZ ARG A 20 -4.876 -5.493 -17.554 1.00 3.97 C ATOM 276 NH1 ARG A 20 -4.094 -5.526 -18.639 1.00 3.84 N ATOM 277 NH2 ARG A 20 -5.951 -6.288 -17.474 1.00 5.27 N ATOM 0 H ARG A 20 1.289 -2.196 -15.392 1.00 0.60 H new ATOM 0 HA ARG A 20 -0.507 -4.111 -14.041 1.00 0.58 H new ATOM 0 HB2 ARG A 20 -1.363 -2.438 -15.811 1.00 0.74 H new ATOM 0 HB3 ARG A 20 -0.455 -3.364 -16.989 1.00 0.74 H new ATOM 0 HG2 ARG A 20 -1.895 -5.184 -16.891 1.00 1.47 H new ATOM 0 HG3 ARG A 20 -2.255 -4.953 -15.192 1.00 1.47 H new ATOM 0 HD2 ARG A 20 -3.645 -2.930 -15.796 1.00 2.25 H new ATOM 0 HD3 ARG A 20 -3.335 -3.251 -17.490 1.00 2.25 H new ATOM 0 HE ARG A 20 -5.190 -4.679 -15.728 1.00 3.61 H new ATOM 0 HH11 ARG A 20 -3.275 -4.920 -18.696 1.00 3.84 H new ATOM 0 HH12 ARG A 20 -4.317 -6.157 -19.409 1.00 3.84 H new ATOM 0 HH21 ARG A 20 -6.544 -6.262 -16.645 1.00 5.27 H new ATOM 0 HH22 ARG A 20 -6.176 -6.920 -18.242 1.00 5.27 H new ATOM 291 N ASP A 21 2.181 -4.976 -15.369 1.00 0.71 N ATOM 292 CA ASP A 21 3.070 -6.030 -15.851 1.00 0.69 C ATOM 293 C ASP A 21 3.732 -6.758 -14.675 1.00 0.74 C ATOM 294 O ASP A 21 3.846 -6.177 -13.593 1.00 0.81 O ATOM 295 CB ASP A 21 4.099 -5.402 -16.799 1.00 0.76 C ATOM 296 CG ASP A 21 3.495 -5.206 -18.181 1.00 1.01 C ATOM 297 OD1 ASP A 21 2.867 -4.144 -18.382 1.00 1.76 O ATOM 298 OD2 ASP A 21 3.637 -6.144 -18.993 1.00 2.28 O ATOM 0 H ASP A 21 2.679 -4.142 -15.058 1.00 0.71 H new ATOM 0 HA ASP A 21 2.504 -6.782 -16.400 1.00 0.69 H new ATOM 0 HB2 ASP A 21 4.432 -4.443 -16.401 1.00 0.76 H new ATOM 0 HB3 ASP A 21 4.979 -6.042 -16.867 1.00 0.76 H new ATOM 303 N PRO A 22 4.160 -8.019 -14.844 1.00 0.84 N ATOM 304 CA PRO A 22 4.736 -8.798 -13.761 1.00 1.00 C ATOM 305 C PRO A 22 6.068 -8.202 -13.301 1.00 0.98 C ATOM 306 O PRO A 22 6.971 -7.987 -14.108 1.00 1.41 O ATOM 307 CB PRO A 22 4.903 -10.217 -14.310 1.00 1.18 C ATOM 308 CG PRO A 22 5.041 -9.995 -15.817 1.00 1.12 C ATOM 309 CD PRO A 22 4.119 -8.801 -16.070 1.00 0.92 C ATOM 0 HA PRO A 22 4.096 -8.796 -12.879 1.00 1.00 H new ATOM 0 HB2 PRO A 22 5.782 -10.709 -13.893 1.00 1.18 H new ATOM 0 HB3 PRO A 22 4.044 -10.844 -14.072 1.00 1.18 H new ATOM 0 HG2 PRO A 22 6.071 -9.778 -16.101 1.00 1.12 H new ATOM 0 HG3 PRO A 22 4.732 -10.872 -16.385 1.00 1.12 H new ATOM 0 HD2 PRO A 22 4.460 -8.214 -16.923 1.00 0.92 H new ATOM 0 HD3 PRO A 22 3.104 -9.128 -16.294 1.00 0.92 H new ATOM 317 N ASP A 23 6.163 -7.957 -11.996 1.00 0.65 N ATOM 318 CA ASP A 23 7.321 -7.473 -11.259 1.00 0.58 C ATOM 319 C ASP A 23 7.705 -6.069 -11.743 1.00 0.63 C ATOM 320 O ASP A 23 8.859 -5.815 -12.089 1.00 1.10 O ATOM 321 CB ASP A 23 8.483 -8.487 -11.286 1.00 0.75 C ATOM 322 CG ASP A 23 8.181 -9.815 -10.590 1.00 1.49 C ATOM 323 OD1 ASP A 23 7.050 -9.983 -10.085 1.00 2.51 O ATOM 324 OD2 ASP A 23 9.109 -10.651 -10.532 1.00 2.36 O ATOM 0 H ASP A 23 5.364 -8.105 -11.379 1.00 0.65 H new ATOM 0 HA ASP A 23 7.060 -7.379 -10.205 1.00 0.58 H new ATOM 0 HB2 ASP A 23 8.750 -8.687 -12.324 1.00 0.75 H new ATOM 0 HB3 ASP A 23 9.355 -8.034 -10.814 1.00 0.75 H new ATOM 329 N THR A 24 6.732 -5.149 -11.741 1.00 0.53 N ATOM 330 CA THR A 24 6.911 -3.751 -12.164 1.00 0.50 C ATOM 331 C THR A 24 6.628 -2.749 -11.040 1.00 0.48 C ATOM 332 O THR A 24 7.005 -1.584 -11.140 1.00 0.74 O ATOM 333 CB THR A 24 6.031 -3.426 -13.386 1.00 0.53 C ATOM 334 OG1 THR A 24 5.939 -4.536 -14.240 1.00 0.76 O ATOM 335 CG2 THR A 24 6.582 -2.263 -14.219 1.00 0.73 C ATOM 0 H THR A 24 5.780 -5.358 -11.440 1.00 0.53 H new ATOM 0 HA THR A 24 7.961 -3.649 -12.437 1.00 0.50 H new ATOM 0 HB THR A 24 5.056 -3.152 -12.982 1.00 0.53 H new ATOM 0 HG1 THR A 24 5.275 -5.165 -13.888 1.00 0.76 H new ATOM 0 HG21 THR A 24 5.922 -2.078 -15.067 1.00 0.73 H new ATOM 0 HG22 THR A 24 6.638 -1.367 -13.601 1.00 0.73 H new ATOM 0 HG23 THR A 24 7.578 -2.516 -14.583 1.00 0.73 H new ATOM 343 N PHE A 25 5.921 -3.168 -9.991 1.00 0.39 N ATOM 344 CA PHE A 25 5.482 -2.314 -8.910 1.00 0.45 C ATOM 345 C PHE A 25 6.695 -1.695 -8.211 1.00 0.47 C ATOM 346 O PHE A 25 7.376 -2.374 -7.442 1.00 0.83 O ATOM 347 CB PHE A 25 4.658 -3.183 -7.946 1.00 0.70 C ATOM 348 CG PHE A 25 4.002 -2.458 -6.784 1.00 1.25 C ATOM 349 CD1 PHE A 25 4.776 -2.026 -5.691 1.00 2.46 C ATOM 350 CD2 PHE A 25 2.601 -2.329 -6.732 1.00 1.81 C ATOM 351 CE1 PHE A 25 4.173 -1.347 -4.623 1.00 3.16 C ATOM 352 CE2 PHE A 25 1.990 -1.760 -5.602 1.00 2.44 C ATOM 353 CZ PHE A 25 2.776 -1.222 -4.572 1.00 2.85 C ATOM 0 H PHE A 25 5.634 -4.140 -9.875 1.00 0.39 H new ATOM 0 HA PHE A 25 4.869 -1.491 -9.278 1.00 0.45 H new ATOM 0 HB2 PHE A 25 3.879 -3.687 -8.519 1.00 0.70 H new ATOM 0 HB3 PHE A 25 5.309 -3.959 -7.542 1.00 0.70 H new ATOM 0 HD1 PHE A 25 5.839 -2.218 -5.675 1.00 2.46 H new ATOM 0 HD2 PHE A 25 1.996 -2.667 -7.560 1.00 1.81 H new ATOM 0 HE1 PHE A 25 4.783 -0.921 -3.840 1.00 3.16 H new ATOM 0 HE2 PHE A 25 0.913 -1.737 -5.526 1.00 2.44 H new ATOM 0 HZ PHE A 25 2.308 -0.713 -3.742 1.00 2.85 H new ATOM 363 N GLU A 26 6.949 -0.403 -8.435 1.00 0.45 N ATOM 364 CA GLU A 26 7.871 0.358 -7.603 1.00 0.46 C ATOM 365 C GLU A 26 7.097 0.919 -6.403 1.00 0.42 C ATOM 366 O GLU A 26 5.956 1.360 -6.569 1.00 0.41 O ATOM 367 CB GLU A 26 8.511 1.514 -8.382 1.00 0.51 C ATOM 368 CG GLU A 26 10.006 1.332 -8.668 1.00 0.72 C ATOM 369 CD GLU A 26 10.663 2.704 -8.728 1.00 1.41 C ATOM 370 OE1 GLU A 26 10.393 3.420 -9.715 1.00 2.69 O ATOM 371 OE2 GLU A 26 11.343 3.041 -7.736 1.00 2.28 O ATOM 0 H GLU A 26 6.525 0.135 -9.190 1.00 0.45 H new ATOM 0 HA GLU A 26 8.671 -0.305 -7.273 1.00 0.46 H new ATOM 0 HB2 GLU A 26 7.984 1.634 -9.329 1.00 0.51 H new ATOM 0 HB3 GLU A 26 8.371 2.437 -7.820 1.00 0.51 H new ATOM 0 HG2 GLU A 26 10.468 0.726 -7.889 1.00 0.72 H new ATOM 0 HG3 GLU A 26 10.149 0.803 -9.611 1.00 0.72 H new ATOM 378 N PRO A 27 7.717 0.963 -5.213 1.00 0.45 N ATOM 379 CA PRO A 27 7.084 1.458 -4.007 1.00 0.49 C ATOM 380 C PRO A 27 6.779 2.948 -4.137 1.00 0.43 C ATOM 381 O PRO A 27 5.611 3.323 -4.204 1.00 0.40 O ATOM 382 CB PRO A 27 8.054 1.142 -2.867 1.00 0.58 C ATOM 383 CG PRO A 27 9.420 1.000 -3.542 1.00 0.58 C ATOM 384 CD PRO A 27 9.091 0.564 -4.966 1.00 0.51 C ATOM 0 HA PRO A 27 6.121 0.985 -3.817 1.00 0.49 H new ATOM 0 HB2 PRO A 27 8.062 1.938 -2.123 1.00 0.58 H new ATOM 0 HB3 PRO A 27 7.771 0.225 -2.350 1.00 0.58 H new ATOM 0 HG2 PRO A 27 9.969 1.941 -3.531 1.00 0.58 H new ATOM 0 HG3 PRO A 27 10.041 0.263 -3.033 1.00 0.58 H new ATOM 0 HD2 PRO A 27 9.766 1.034 -5.681 1.00 0.51 H new ATOM 0 HD3 PRO A 27 9.208 -0.514 -5.078 1.00 0.51 H new ATOM 392 N GLN A 28 7.816 3.793 -4.179 1.00 0.46 N ATOM 393 CA GLN A 28 7.666 5.242 -4.236 1.00 0.46 C ATOM 394 C GLN A 28 6.792 5.650 -5.425 1.00 0.41 C ATOM 395 O GLN A 28 5.909 6.499 -5.289 1.00 0.45 O ATOM 396 CB GLN A 28 9.043 5.921 -4.263 1.00 0.52 C ATOM 397 CG GLN A 28 9.698 5.849 -2.877 1.00 0.79 C ATOM 398 CD GLN A 28 11.158 6.287 -2.917 1.00 1.05 C ATOM 399 OE1 GLN A 28 12.057 5.453 -2.903 1.00 2.27 O ATOM 400 NE2 GLN A 28 11.414 7.591 -2.967 1.00 1.15 N ATOM 0 H GLN A 28 8.788 3.483 -4.174 1.00 0.46 H new ATOM 0 HA GLN A 28 7.155 5.582 -3.336 1.00 0.46 H new ATOM 0 HB2 GLN A 28 9.682 5.435 -5.001 1.00 0.52 H new ATOM 0 HB3 GLN A 28 8.937 6.962 -4.569 1.00 0.52 H new ATOM 0 HG2 GLN A 28 9.147 6.482 -2.182 1.00 0.79 H new ATOM 0 HG3 GLN A 28 9.635 4.829 -2.498 1.00 0.79 H new ATOM 0 HE21 GLN A 28 10.645 8.262 -2.978 1.00 1.15 H new ATOM 0 HE22 GLN A 28 12.379 7.921 -2.995 1.00 1.15 H new ATOM 409 N LYS A 29 7.008 5.000 -6.574 1.00 0.37 N ATOM 410 CA LYS A 29 6.163 5.162 -7.744 1.00 0.31 C ATOM 411 C LYS A 29 4.698 4.948 -7.354 1.00 0.30 C ATOM 412 O LYS A 29 3.924 5.906 -7.343 1.00 0.34 O ATOM 413 CB LYS A 29 6.605 4.189 -8.851 1.00 0.38 C ATOM 414 CG LYS A 29 5.969 4.512 -10.208 1.00 0.56 C ATOM 415 CD LYS A 29 6.871 5.472 -10.995 1.00 1.36 C ATOM 416 CE LYS A 29 6.102 6.156 -12.133 1.00 2.17 C ATOM 417 NZ LYS A 29 5.098 7.117 -11.629 1.00 3.30 N ATOM 0 H LYS A 29 7.779 4.346 -6.711 1.00 0.37 H new ATOM 0 HA LYS A 29 6.264 6.175 -8.135 1.00 0.31 H new ATOM 0 HB2 LYS A 29 7.690 4.221 -8.946 1.00 0.38 H new ATOM 0 HB3 LYS A 29 6.340 3.172 -8.563 1.00 0.38 H new ATOM 0 HG2 LYS A 29 5.818 3.594 -10.776 1.00 0.56 H new ATOM 0 HG3 LYS A 29 4.987 4.961 -10.061 1.00 0.56 H new ATOM 0 HD2 LYS A 29 7.276 6.228 -10.322 1.00 1.36 H new ATOM 0 HD3 LYS A 29 7.719 4.923 -11.405 1.00 1.36 H new ATOM 0 HE2 LYS A 29 6.805 6.676 -12.784 1.00 2.17 H new ATOM 0 HE3 LYS A 29 5.605 5.399 -12.740 1.00 2.17 H new ATOM 0 HZ1 LYS A 29 5.107 7.971 -12.222 1.00 3.30 H new ATOM 0 HZ2 LYS A 29 4.154 6.682 -11.662 1.00 3.30 H new ATOM 0 HZ3 LYS A 29 5.326 7.374 -10.648 1.00 3.30 H new ATOM 431 N PHE A 30 4.320 3.704 -7.029 1.00 0.42 N ATOM 432 CA PHE A 30 2.935 3.331 -6.762 1.00 0.52 C ATOM 433 C PHE A 30 2.336 4.200 -5.657 1.00 0.52 C ATOM 434 O PHE A 30 1.171 4.562 -5.698 1.00 0.60 O ATOM 435 CB PHE A 30 2.850 1.846 -6.387 1.00 0.72 C ATOM 436 CG PHE A 30 1.428 1.327 -6.281 1.00 1.10 C ATOM 437 CD1 PHE A 30 0.690 1.513 -5.096 1.00 1.57 C ATOM 438 CD2 PHE A 30 0.836 0.663 -7.372 1.00 2.55 C ATOM 439 CE1 PHE A 30 -0.651 1.098 -5.027 1.00 1.75 C ATOM 440 CE2 PHE A 30 -0.478 0.175 -7.273 1.00 2.89 C ATOM 441 CZ PHE A 30 -1.240 0.444 -6.124 1.00 1.94 C ATOM 0 H PHE A 30 4.976 2.927 -6.945 1.00 0.42 H new ATOM 0 HA PHE A 30 2.355 3.497 -7.669 1.00 0.52 H new ATOM 0 HB2 PHE A 30 3.387 1.260 -7.133 1.00 0.72 H new ATOM 0 HB3 PHE A 30 3.357 1.691 -5.434 1.00 0.72 H new ATOM 0 HD1 PHE A 30 1.156 1.976 -4.238 1.00 1.57 H new ATOM 0 HD2 PHE A 30 1.393 0.528 -8.287 1.00 2.55 H new ATOM 0 HE1 PHE A 30 -1.228 1.281 -4.133 1.00 1.75 H new ATOM 0 HE2 PHE A 30 -0.901 -0.406 -8.079 1.00 2.89 H new ATOM 0 HZ PHE A 30 -2.278 0.149 -6.083 1.00 1.94 H new ATOM 451 N PHE A 31 3.143 4.534 -4.658 1.00 0.55 N ATOM 452 CA PHE A 31 2.807 5.387 -3.538 1.00 0.60 C ATOM 453 C PHE A 31 2.306 6.744 -4.036 1.00 0.52 C ATOM 454 O PHE A 31 1.171 7.128 -3.737 1.00 0.69 O ATOM 455 CB PHE A 31 4.053 5.497 -2.650 1.00 0.81 C ATOM 456 CG PHE A 31 4.202 6.788 -1.894 1.00 1.39 C ATOM 457 CD1 PHE A 31 3.138 7.238 -1.103 1.00 2.65 C ATOM 458 CD2 PHE A 31 5.300 7.636 -2.145 1.00 2.95 C ATOM 459 CE1 PHE A 31 3.198 8.518 -0.547 1.00 4.12 C ATOM 460 CE2 PHE A 31 5.399 8.869 -1.490 1.00 4.36 C ATOM 461 CZ PHE A 31 4.380 9.268 -0.619 1.00 4.67 C ATOM 0 H PHE A 31 4.104 4.194 -4.610 1.00 0.55 H new ATOM 0 HA PHE A 31 1.993 4.968 -2.947 1.00 0.60 H new ATOM 0 HB2 PHE A 31 4.039 4.677 -1.933 1.00 0.81 H new ATOM 0 HB3 PHE A 31 4.935 5.359 -3.275 1.00 0.81 H new ATOM 0 HD1 PHE A 31 2.282 6.604 -0.925 1.00 2.65 H new ATOM 0 HD2 PHE A 31 6.066 7.334 -2.844 1.00 2.95 H new ATOM 0 HE1 PHE A 31 2.328 8.932 -0.059 1.00 4.12 H new ATOM 0 HE2 PHE A 31 6.255 9.507 -1.656 1.00 4.36 H new ATOM 0 HZ PHE A 31 4.503 10.148 -0.006 1.00 4.67 H new ATOM 471 N GLN A 32 3.137 7.467 -4.800 1.00 0.42 N ATOM 472 CA GLN A 32 2.730 8.767 -5.311 1.00 0.54 C ATOM 473 C GLN A 32 1.512 8.582 -6.196 1.00 0.56 C ATOM 474 O GLN A 32 0.544 9.330 -6.106 1.00 0.67 O ATOM 475 CB GLN A 32 3.853 9.435 -6.110 1.00 0.57 C ATOM 476 CG GLN A 32 4.945 9.951 -5.178 1.00 1.93 C ATOM 477 CD GLN A 32 5.957 10.800 -5.938 1.00 1.96 C ATOM 478 OE1 GLN A 32 7.006 10.317 -6.351 1.00 3.03 O ATOM 479 NE2 GLN A 32 5.640 12.075 -6.153 1.00 2.02 N ATOM 0 H GLN A 32 4.076 7.174 -5.069 1.00 0.42 H new ATOM 0 HA GLN A 32 2.495 9.416 -4.467 1.00 0.54 H new ATOM 0 HB2 GLN A 32 4.278 8.721 -6.816 1.00 0.57 H new ATOM 0 HB3 GLN A 32 3.448 10.260 -6.696 1.00 0.57 H new ATOM 0 HG2 GLN A 32 4.497 10.542 -4.379 1.00 1.93 H new ATOM 0 HG3 GLN A 32 5.453 9.110 -4.706 1.00 1.93 H new ATOM 0 HE21 GLN A 32 4.760 12.449 -5.797 1.00 2.02 H new ATOM 0 HE22 GLN A 32 6.277 12.678 -6.674 1.00 2.02 H new ATOM 488 N THR A 33 1.565 7.563 -7.047 1.00 0.49 N ATOM 489 CA THR A 33 0.548 7.302 -8.023 1.00 0.55 C ATOM 490 C THR A 33 -0.788 6.931 -7.406 1.00 0.59 C ATOM 491 O THR A 33 -1.827 7.219 -7.983 1.00 0.74 O ATOM 492 CB THR A 33 1.084 6.222 -8.955 1.00 0.51 C ATOM 493 OG1 THR A 33 1.199 6.853 -10.181 1.00 0.76 O ATOM 494 CG2 THR A 33 0.239 4.952 -9.066 1.00 0.49 C ATOM 0 H THR A 33 2.334 6.893 -7.067 1.00 0.49 H new ATOM 0 HA THR A 33 0.335 8.212 -8.584 1.00 0.55 H new ATOM 0 HB THR A 33 2.024 5.839 -8.558 1.00 0.51 H new ATOM 0 HG1 THR A 33 0.676 6.365 -10.851 1.00 0.76 H new ATOM 0 HG21 THR A 33 0.717 4.256 -9.755 1.00 0.49 H new ATOM 0 HG22 THR A 33 0.150 4.487 -8.084 1.00 0.49 H new ATOM 0 HG23 THR A 33 -0.753 5.207 -9.438 1.00 0.49 H new ATOM 502 N SER A 34 -0.756 6.296 -6.234 1.00 0.52 N ATOM 503 CA SER A 34 -1.937 5.975 -5.462 1.00 0.65 C ATOM 504 C SER A 34 -2.483 7.246 -4.795 1.00 0.76 C ATOM 505 O SER A 34 -3.450 7.162 -4.038 1.00 1.15 O ATOM 506 CB SER A 34 -1.602 4.903 -4.416 1.00 0.73 C ATOM 507 OG SER A 34 -2.761 4.524 -3.692 1.00 1.66 O ATOM 0 H SER A 34 0.112 5.989 -5.794 1.00 0.52 H new ATOM 0 HA SER A 34 -2.707 5.577 -6.123 1.00 0.65 H new ATOM 0 HB2 SER A 34 -1.174 4.030 -4.908 1.00 0.73 H new ATOM 0 HB3 SER A 34 -0.847 5.283 -3.728 1.00 0.73 H new ATOM 0 HG SER A 34 -3.341 5.304 -3.572 1.00 1.66 H new ATOM 513 N GLY A 35 -1.823 8.394 -4.996 1.00 0.57 N ATOM 514 CA GLY A 35 -2.252 9.674 -4.451 1.00 0.67 C ATOM 515 C GLY A 35 -1.949 9.763 -2.959 1.00 0.53 C ATOM 516 O GLY A 35 -2.301 10.740 -2.294 1.00 0.54 O ATOM 0 H GLY A 35 -0.968 8.453 -5.549 1.00 0.57 H new ATOM 0 HA2 GLY A 35 -1.747 10.484 -4.977 1.00 0.67 H new ATOM 0 HA3 GLY A 35 -3.322 9.804 -4.617 1.00 0.67 H new ATOM 520 N LEU A 36 -1.263 8.758 -2.409 1.00 0.58 N ATOM 521 CA LEU A 36 -1.093 8.643 -0.977 1.00 0.52 C ATOM 522 C LEU A 36 -0.152 9.732 -0.451 1.00 0.51 C ATOM 523 O LEU A 36 -0.281 10.147 0.695 1.00 0.48 O ATOM 524 CB LEU A 36 -0.692 7.204 -0.606 1.00 0.55 C ATOM 525 CG LEU A 36 -1.909 6.411 -0.100 1.00 1.11 C ATOM 526 CD1 LEU A 36 -1.586 4.915 -0.019 1.00 1.34 C ATOM 527 CD2 LEU A 36 -2.358 6.896 1.285 1.00 2.03 C ATOM 0 H LEU A 36 -0.818 8.014 -2.946 1.00 0.58 H new ATOM 0 HA LEU A 36 -2.040 8.824 -0.469 1.00 0.52 H new ATOM 0 HB2 LEU A 36 -0.263 6.706 -1.475 1.00 0.55 H new ATOM 0 HB3 LEU A 36 0.080 7.224 0.163 1.00 0.55 H new ATOM 0 HG LEU A 36 -2.717 6.576 -0.813 1.00 1.11 H new ATOM 0 HD11 LEU A 36 -2.460 4.373 0.341 1.00 1.34 H new ATOM 0 HD12 LEU A 36 -1.313 4.548 -1.008 1.00 1.34 H new ATOM 0 HD13 LEU A 36 -0.754 4.759 0.668 1.00 1.34 H new ATOM 0 HD21 LEU A 36 -3.220 6.314 1.612 1.00 2.03 H new ATOM 0 HD22 LEU A 36 -1.543 6.769 1.997 1.00 2.03 H new ATOM 0 HD23 LEU A 36 -2.631 7.950 1.231 1.00 2.03 H new ATOM 539 N SER A 37 0.739 10.251 -1.302 1.00 0.63 N ATOM 540 CA SER A 37 1.570 11.412 -0.995 1.00 0.76 C ATOM 541 C SER A 37 0.711 12.666 -0.833 1.00 0.77 C ATOM 542 O SER A 37 1.122 13.624 -0.182 1.00 0.88 O ATOM 543 CB SER A 37 2.537 11.624 -2.169 1.00 1.06 C ATOM 544 OG SER A 37 1.823 11.655 -3.395 1.00 2.35 O ATOM 0 H SER A 37 0.903 9.870 -2.234 1.00 0.63 H new ATOM 0 HA SER A 37 2.108 11.237 -0.063 1.00 0.76 H new ATOM 0 HB2 SER A 37 3.084 12.557 -2.035 1.00 1.06 H new ATOM 0 HB3 SER A 37 3.275 10.822 -2.190 1.00 1.06 H new ATOM 0 HG SER A 37 2.450 11.792 -4.135 1.00 2.35 H new ATOM 550 N LYS A 38 -0.442 12.701 -1.510 1.00 0.73 N ATOM 551 CA LYS A 38 -1.346 13.833 -1.480 1.00 0.84 C ATOM 552 C LYS A 38 -2.279 13.672 -0.289 1.00 0.77 C ATOM 553 O LYS A 38 -2.669 14.671 0.315 1.00 0.93 O ATOM 554 CB LYS A 38 -2.125 13.942 -2.803 1.00 0.94 C ATOM 555 CG LYS A 38 -2.048 15.361 -3.384 1.00 1.19 C ATOM 556 CD LYS A 38 -0.687 15.610 -4.053 1.00 1.97 C ATOM 557 CE LYS A 38 -0.555 17.078 -4.478 1.00 2.55 C ATOM 558 NZ LYS A 38 0.655 17.315 -5.294 1.00 3.84 N ATOM 0 H LYS A 38 -0.768 11.933 -2.096 1.00 0.73 H new ATOM 0 HA LYS A 38 -0.783 14.760 -1.369 1.00 0.84 H new ATOM 0 HB2 LYS A 38 -1.722 13.230 -3.524 1.00 0.94 H new ATOM 0 HB3 LYS A 38 -3.168 13.672 -2.636 1.00 0.94 H new ATOM 0 HG2 LYS A 38 -2.846 15.503 -4.112 1.00 1.19 H new ATOM 0 HG3 LYS A 38 -2.206 16.092 -2.591 1.00 1.19 H new ATOM 0 HD2 LYS A 38 0.116 15.352 -3.363 1.00 1.97 H new ATOM 0 HD3 LYS A 38 -0.580 14.963 -4.923 1.00 1.97 H new ATOM 0 HE2 LYS A 38 -1.438 17.371 -5.046 1.00 2.55 H new ATOM 0 HE3 LYS A 38 -0.523 17.710 -3.591 1.00 2.55 H new ATOM 0 HZ1 LYS A 38 0.704 18.320 -5.559 1.00 3.84 H new ATOM 0 HZ2 LYS A 38 1.500 17.060 -4.744 1.00 3.84 H new ATOM 0 HZ3 LYS A 38 0.613 16.732 -6.154 1.00 3.84 H new ATOM 572 N MET A 39 -2.639 12.431 0.058 1.00 0.60 N ATOM 573 CA MET A 39 -3.397 12.238 1.288 1.00 0.61 C ATOM 574 C MET A 39 -2.622 12.775 2.505 1.00 0.72 C ATOM 575 O MET A 39 -1.443 12.482 2.680 1.00 1.60 O ATOM 576 CB MET A 39 -3.766 10.765 1.455 1.00 0.53 C ATOM 577 CG MET A 39 -5.059 10.445 0.703 1.00 0.74 C ATOM 578 SD MET A 39 -5.713 8.785 0.992 1.00 2.13 S ATOM 579 CE MET A 39 -7.348 8.998 0.259 1.00 2.86 C ATOM 0 H MET A 39 -2.428 11.584 -0.470 1.00 0.60 H new ATOM 0 HA MET A 39 -4.323 12.810 1.222 1.00 0.61 H new ATOM 0 HB2 MET A 39 -2.957 10.137 1.082 1.00 0.53 H new ATOM 0 HB3 MET A 39 -3.887 10.533 2.513 1.00 0.53 H new ATOM 0 HG2 MET A 39 -5.818 11.174 0.987 1.00 0.74 H new ATOM 0 HG3 MET A 39 -4.882 10.570 -0.365 1.00 0.74 H new ATOM 0 HE1 MET A 39 -7.827 8.025 0.149 1.00 2.86 H new ATOM 0 HE2 MET A 39 -7.957 9.631 0.905 1.00 2.86 H new ATOM 0 HE3 MET A 39 -7.250 9.467 -0.720 1.00 2.86 H new ATOM 589 N SER A 40 -3.283 13.573 3.356 1.00 0.82 N ATOM 590 CA SER A 40 -2.653 14.106 4.560 1.00 0.77 C ATOM 591 C SER A 40 -2.434 12.984 5.581 1.00 0.67 C ATOM 592 O SER A 40 -3.149 11.984 5.560 1.00 0.59 O ATOM 593 CB SER A 40 -3.493 15.242 5.164 1.00 0.85 C ATOM 594 OG SER A 40 -4.707 14.765 5.720 1.00 2.60 O ATOM 0 H SER A 40 -4.253 13.860 3.228 1.00 0.82 H new ATOM 0 HA SER A 40 -1.683 14.522 4.288 1.00 0.77 H new ATOM 0 HB2 SER A 40 -2.915 15.750 5.936 1.00 0.85 H new ATOM 0 HB3 SER A 40 -3.712 15.980 4.393 1.00 0.85 H new ATOM 0 HG SER A 40 -5.364 15.492 5.743 1.00 2.60 H new ATOM 600 N ALA A 41 -1.498 13.177 6.518 1.00 0.74 N ATOM 601 CA ALA A 41 -1.195 12.240 7.601 1.00 0.70 C ATOM 602 C ALA A 41 -2.452 11.662 8.266 1.00 0.64 C ATOM 603 O ALA A 41 -2.475 10.496 8.665 1.00 0.69 O ATOM 604 CB ALA A 41 -0.333 12.953 8.645 1.00 0.78 C ATOM 0 H ALA A 41 -0.915 14.014 6.542 1.00 0.74 H new ATOM 0 HA ALA A 41 -0.660 11.396 7.166 1.00 0.70 H new ATOM 0 HB1 ALA A 41 -0.101 12.264 9.457 1.00 0.78 H new ATOM 0 HB2 ALA A 41 0.593 13.293 8.182 1.00 0.78 H new ATOM 0 HB3 ALA A 41 -0.876 13.811 9.041 1.00 0.78 H new ATOM 610 N ASN A 42 -3.489 12.495 8.399 1.00 0.66 N ATOM 611 CA ASN A 42 -4.796 12.099 8.909 1.00 0.65 C ATOM 612 C ASN A 42 -5.341 10.953 8.059 1.00 0.53 C ATOM 613 O ASN A 42 -5.540 9.841 8.545 1.00 0.50 O ATOM 614 CB ASN A 42 -5.784 13.282 8.893 1.00 0.79 C ATOM 615 CG ASN A 42 -5.169 14.577 9.408 1.00 0.91 C ATOM 616 OD1 ASN A 42 -5.094 14.805 10.609 1.00 1.58 O ATOM 617 ND2 ASN A 42 -4.696 15.425 8.495 1.00 1.52 N ATOM 0 H ASN A 42 -3.437 13.482 8.149 1.00 0.66 H new ATOM 0 HA ASN A 42 -4.682 11.773 9.943 1.00 0.65 H new ATOM 0 HB2 ASN A 42 -6.142 13.436 7.875 1.00 0.79 H new ATOM 0 HB3 ASN A 42 -6.653 13.031 9.502 1.00 0.79 H new ATOM 0 HD21 ASN A 42 -4.254 16.296 8.789 1.00 1.52 H new ATOM 0 HD22 ASN A 42 -4.776 15.203 7.503 1.00 1.52 H new ATOM 624 N GLN A 43 -5.544 11.232 6.767 1.00 0.52 N ATOM 625 CA GLN A 43 -6.066 10.266 5.821 1.00 0.42 C ATOM 626 C GLN A 43 -5.146 9.057 5.748 1.00 0.40 C ATOM 627 O GLN A 43 -5.624 7.935 5.791 1.00 0.42 O ATOM 628 CB GLN A 43 -6.248 10.901 4.434 1.00 0.41 C ATOM 629 CG GLN A 43 -7.509 11.772 4.337 1.00 0.75 C ATOM 630 CD GLN A 43 -8.799 10.998 4.611 1.00 1.31 C ATOM 631 OE1 GLN A 43 -9.653 11.467 5.355 1.00 2.88 O ATOM 632 NE2 GLN A 43 -8.952 9.810 4.032 1.00 1.34 N ATOM 0 H GLN A 43 -5.346 12.144 6.355 1.00 0.52 H new ATOM 0 HA GLN A 43 -7.046 9.936 6.166 1.00 0.42 H new ATOM 0 HB2 GLN A 43 -5.374 11.509 4.201 1.00 0.41 H new ATOM 0 HB3 GLN A 43 -6.298 10.113 3.683 1.00 0.41 H new ATOM 0 HG2 GLN A 43 -7.429 12.595 5.047 1.00 0.75 H new ATOM 0 HG3 GLN A 43 -7.562 12.213 3.342 1.00 0.75 H new ATOM 0 HE21 GLN A 43 -8.225 9.445 3.417 1.00 1.34 H new ATOM 0 HE22 GLN A 43 -9.797 9.264 4.203 1.00 1.34 H new ATOM 641 N VAL A 44 -3.832 9.251 5.658 1.00 0.43 N ATOM 642 CA VAL A 44 -2.896 8.151 5.530 1.00 0.44 C ATOM 643 C VAL A 44 -3.060 7.183 6.708 1.00 0.41 C ATOM 644 O VAL A 44 -3.115 5.962 6.539 1.00 0.43 O ATOM 645 CB VAL A 44 -1.486 8.751 5.481 1.00 0.60 C ATOM 646 CG1 VAL A 44 -0.429 7.652 5.498 1.00 0.69 C ATOM 647 CG2 VAL A 44 -1.304 9.616 4.226 1.00 0.70 C ATOM 0 H VAL A 44 -3.394 10.172 5.672 1.00 0.43 H new ATOM 0 HA VAL A 44 -3.080 7.579 4.621 1.00 0.44 H new ATOM 0 HB VAL A 44 -1.363 9.377 6.365 1.00 0.60 H new ATOM 0 HG11 VAL A 44 0.564 8.101 5.463 1.00 0.69 H new ATOM 0 HG12 VAL A 44 -0.529 7.065 6.411 1.00 0.69 H new ATOM 0 HG13 VAL A 44 -0.565 7.003 4.633 1.00 0.69 H new ATOM 0 HG21 VAL A 44 -0.296 10.031 4.213 1.00 0.70 H new ATOM 0 HG22 VAL A 44 -1.456 9.004 3.337 1.00 0.70 H new ATOM 0 HG23 VAL A 44 -2.031 10.428 4.235 1.00 0.70 H new ATOM 657 N LYS A 45 -3.139 7.728 7.921 1.00 0.42 N ATOM 658 CA LYS A 45 -3.297 6.894 9.094 1.00 0.47 C ATOM 659 C LYS A 45 -4.710 6.303 9.178 1.00 0.54 C ATOM 660 O LYS A 45 -4.866 5.199 9.692 1.00 0.68 O ATOM 661 CB LYS A 45 -2.858 7.677 10.325 1.00 0.67 C ATOM 662 CG LYS A 45 -2.740 6.792 11.570 1.00 0.78 C ATOM 663 CD LYS A 45 -1.698 7.318 12.567 1.00 1.82 C ATOM 664 CE LYS A 45 -1.890 8.786 12.983 1.00 2.29 C ATOM 665 NZ LYS A 45 -1.459 9.746 11.940 1.00 3.84 N ATOM 0 H LYS A 45 -3.096 8.730 8.108 1.00 0.42 H new ATOM 0 HA LYS A 45 -2.648 6.021 9.029 1.00 0.47 H new ATOM 0 HB2 LYS A 45 -1.896 8.150 10.127 1.00 0.67 H new ATOM 0 HB3 LYS A 45 -3.573 8.477 10.518 1.00 0.67 H new ATOM 0 HG2 LYS A 45 -3.711 6.731 12.062 1.00 0.78 H new ATOM 0 HG3 LYS A 45 -2.471 5.780 11.268 1.00 0.78 H new ATOM 0 HD2 LYS A 45 -1.724 6.695 13.461 1.00 1.82 H new ATOM 0 HD3 LYS A 45 -0.706 7.206 12.128 1.00 1.82 H new ATOM 0 HE2 LYS A 45 -2.941 8.957 13.214 1.00 2.29 H new ATOM 0 HE3 LYS A 45 -1.328 8.975 13.897 1.00 2.29 H new ATOM 0 HZ1 LYS A 45 -1.080 10.602 12.392 1.00 3.84 H new ATOM 0 HZ2 LYS A 45 -0.722 9.310 11.350 1.00 3.84 H new ATOM 0 HZ3 LYS A 45 -2.273 10.000 11.345 1.00 3.84 H new ATOM 679 N ASP A 46 -5.730 6.989 8.654 1.00 0.48 N ATOM 680 CA ASP A 46 -7.054 6.393 8.517 1.00 0.51 C ATOM 681 C ASP A 46 -7.010 5.188 7.568 1.00 0.49 C ATOM 682 O ASP A 46 -7.317 4.065 7.969 1.00 0.57 O ATOM 683 CB ASP A 46 -8.077 7.430 8.053 1.00 0.54 C ATOM 684 CG ASP A 46 -9.444 6.775 7.944 1.00 1.56 C ATOM 685 OD1 ASP A 46 -10.059 6.579 9.014 1.00 2.46 O ATOM 686 OD2 ASP A 46 -9.826 6.452 6.800 1.00 2.84 O ATOM 0 H ASP A 46 -5.661 7.951 8.321 1.00 0.48 H new ATOM 0 HA ASP A 46 -7.370 6.036 9.497 1.00 0.51 H new ATOM 0 HB2 ASP A 46 -8.115 8.261 8.758 1.00 0.54 H new ATOM 0 HB3 ASP A 46 -7.781 7.843 7.089 1.00 0.54 H new ATOM 691 N VAL A 47 -6.578 5.397 6.319 1.00 0.42 N ATOM 692 CA VAL A 47 -6.507 4.338 5.323 1.00 0.41 C ATOM 693 C VAL A 47 -5.714 3.150 5.870 1.00 0.42 C ATOM 694 O VAL A 47 -6.176 2.018 5.768 1.00 0.45 O ATOM 695 CB VAL A 47 -6.014 4.826 3.944 1.00 0.44 C ATOM 696 CG1 VAL A 47 -6.813 6.026 3.416 1.00 0.45 C ATOM 697 CG2 VAL A 47 -4.524 5.111 3.847 1.00 0.56 C ATOM 0 H VAL A 47 -6.269 6.307 5.977 1.00 0.42 H new ATOM 0 HA VAL A 47 -7.523 3.994 5.132 1.00 0.41 H new ATOM 0 HB VAL A 47 -6.199 3.964 3.303 1.00 0.44 H new ATOM 0 HG11 VAL A 47 -6.421 6.325 2.444 1.00 0.45 H new ATOM 0 HG12 VAL A 47 -7.862 5.748 3.315 1.00 0.45 H new ATOM 0 HG13 VAL A 47 -6.724 6.858 4.114 1.00 0.45 H new ATOM 0 HG21 VAL A 47 -4.283 5.447 2.839 1.00 0.56 H new ATOM 0 HG22 VAL A 47 -4.255 5.888 4.563 1.00 0.56 H new ATOM 0 HG23 VAL A 47 -3.965 4.203 4.070 1.00 0.56 H new ATOM 707 N PHE A 48 -4.569 3.399 6.519 1.00 0.44 N ATOM 708 CA PHE A 48 -3.820 2.374 7.248 1.00 0.50 C ATOM 709 C PHE A 48 -4.750 1.457 8.064 1.00 0.48 C ATOM 710 O PHE A 48 -4.683 0.236 7.927 1.00 0.52 O ATOM 711 CB PHE A 48 -2.749 3.052 8.115 1.00 0.63 C ATOM 712 CG PHE A 48 -2.254 2.233 9.288 1.00 1.76 C ATOM 713 CD1 PHE A 48 -1.338 1.185 9.091 1.00 2.67 C ATOM 714 CD2 PHE A 48 -2.838 2.417 10.554 1.00 3.16 C ATOM 715 CE1 PHE A 48 -1.096 0.269 10.132 1.00 3.94 C ATOM 716 CE2 PHE A 48 -2.677 1.443 11.553 1.00 4.51 C ATOM 717 CZ PHE A 48 -1.841 0.342 11.319 1.00 4.67 C ATOM 0 H PHE A 48 -4.137 4.322 6.552 1.00 0.44 H new ATOM 0 HA PHE A 48 -3.319 1.720 6.534 1.00 0.50 H new ATOM 0 HB2 PHE A 48 -1.897 3.302 7.482 1.00 0.63 H new ATOM 0 HB3 PHE A 48 -3.152 3.992 8.493 1.00 0.63 H new ATOM 0 HD1 PHE A 48 -0.823 1.083 8.147 1.00 2.67 H new ATOM 0 HD2 PHE A 48 -3.411 3.309 10.758 1.00 3.16 H new ATOM 0 HE1 PHE A 48 -0.337 -0.490 10.017 1.00 3.94 H new ATOM 0 HE2 PHE A 48 -3.194 1.542 12.496 1.00 4.51 H new ATOM 0 HZ PHE A 48 -1.771 -0.449 12.051 1.00 4.67 H new ATOM 727 N ARG A 49 -5.648 2.033 8.873 1.00 0.50 N ATOM 728 CA ARG A 49 -6.594 1.267 9.682 1.00 0.53 C ATOM 729 C ARG A 49 -7.586 0.513 8.795 1.00 0.45 C ATOM 730 O ARG A 49 -8.012 -0.585 9.144 1.00 0.56 O ATOM 731 CB ARG A 49 -7.352 2.181 10.657 1.00 0.67 C ATOM 732 CG ARG A 49 -6.393 2.889 11.620 1.00 0.96 C ATOM 733 CD ARG A 49 -7.076 4.027 12.385 1.00 1.25 C ATOM 734 NE ARG A 49 -8.040 3.534 13.382 1.00 1.78 N ATOM 735 CZ ARG A 49 -7.715 3.064 14.597 1.00 2.21 C ATOM 736 NH1 ARG A 49 -6.428 2.903 14.924 1.00 3.19 N ATOM 737 NH2 ARG A 49 -8.673 2.781 15.486 1.00 2.98 N ATOM 0 H ARG A 49 -5.736 3.043 8.983 1.00 0.50 H new ATOM 0 HA ARG A 49 -6.021 0.542 10.260 1.00 0.53 H new ATOM 0 HB2 ARG A 49 -7.920 2.923 10.096 1.00 0.67 H new ATOM 0 HB3 ARG A 49 -8.072 1.592 11.225 1.00 0.67 H new ATOM 0 HG2 ARG A 49 -5.994 2.165 12.330 1.00 0.96 H new ATOM 0 HG3 ARG A 49 -5.547 3.287 11.060 1.00 0.96 H new ATOM 0 HD2 ARG A 49 -6.319 4.631 12.884 1.00 1.25 H new ATOM 0 HD3 ARG A 49 -7.590 4.679 11.679 1.00 1.25 H new ATOM 0 HE ARG A 49 -9.029 3.551 13.131 1.00 1.78 H new ATOM 0 HH11 ARG A 49 -5.698 3.137 14.251 1.00 3.19 H new ATOM 0 HH12 ARG A 49 -6.177 2.546 15.846 1.00 3.19 H new ATOM 0 HH21 ARG A 49 -9.653 2.922 15.242 1.00 2.98 H new ATOM 0 HH22 ARG A 49 -8.424 2.424 16.408 1.00 2.98 H new ATOM 751 N PHE A 50 -7.964 1.100 7.656 1.00 0.39 N ATOM 752 CA PHE A 50 -8.827 0.435 6.688 1.00 0.53 C ATOM 753 C PHE A 50 -8.137 -0.827 6.158 1.00 0.54 C ATOM 754 O PHE A 50 -8.783 -1.856 5.966 1.00 0.70 O ATOM 755 CB PHE A 50 -9.222 1.398 5.551 1.00 0.67 C ATOM 756 CG PHE A 50 -10.525 1.032 4.864 1.00 1.27 C ATOM 757 CD1 PHE A 50 -11.745 1.467 5.413 1.00 2.10 C ATOM 758 CD2 PHE A 50 -10.530 0.210 3.720 1.00 2.93 C ATOM 759 CE1 PHE A 50 -12.962 1.062 4.839 1.00 2.78 C ATOM 760 CE2 PHE A 50 -11.746 -0.197 3.147 1.00 3.75 C ATOM 761 CZ PHE A 50 -12.963 0.221 3.713 1.00 3.22 C ATOM 0 H PHE A 50 -7.681 2.042 7.385 1.00 0.39 H new ATOM 0 HA PHE A 50 -9.751 0.132 7.181 1.00 0.53 H new ATOM 0 HB2 PHE A 50 -9.306 2.407 5.955 1.00 0.67 H new ATOM 0 HB3 PHE A 50 -8.424 1.417 4.809 1.00 0.67 H new ATOM 0 HD1 PHE A 50 -11.746 2.114 6.278 1.00 2.10 H new ATOM 0 HD2 PHE A 50 -9.596 -0.108 3.282 1.00 2.93 H new ATOM 0 HE1 PHE A 50 -13.897 1.397 5.263 1.00 2.78 H new ATOM 0 HE2 PHE A 50 -11.746 -0.831 2.272 1.00 3.75 H new ATOM 0 HZ PHE A 50 -13.899 -0.104 3.283 1.00 3.22 H new ATOM 771 N ILE A 51 -6.825 -0.747 5.902 1.00 0.50 N ATOM 772 CA ILE A 51 -6.088 -1.833 5.270 1.00 0.72 C ATOM 773 C ILE A 51 -5.624 -2.910 6.264 1.00 0.69 C ATOM 774 O ILE A 51 -5.832 -4.091 5.979 1.00 1.26 O ATOM 775 CB ILE A 51 -4.945 -1.308 4.387 1.00 1.03 C ATOM 776 CG1 ILE A 51 -5.365 -0.209 3.391 1.00 1.35 C ATOM 777 CG2 ILE A 51 -4.376 -2.493 3.596 1.00 1.40 C ATOM 778 CD1 ILE A 51 -6.576 -0.568 2.528 1.00 1.45 C ATOM 0 H ILE A 51 -6.254 0.068 6.127 1.00 0.50 H new ATOM 0 HA ILE A 51 -6.793 -2.338 4.609 1.00 0.72 H new ATOM 0 HB ILE A 51 -4.212 -0.853 5.053 1.00 1.03 H new ATOM 0 HG12 ILE A 51 -5.587 0.702 3.946 1.00 1.35 H new ATOM 0 HG13 ILE A 51 -4.522 0.014 2.737 1.00 1.35 H new ATOM 0 HG21 ILE A 51 -3.561 -2.148 2.959 1.00 1.40 H new ATOM 0 HG22 ILE A 51 -4.001 -3.246 4.289 1.00 1.40 H new ATOM 0 HG23 ILE A 51 -5.161 -2.928 2.977 1.00 1.40 H new ATOM 0 HD11 ILE A 51 -6.803 0.260 1.857 1.00 1.45 H new ATOM 0 HD12 ILE A 51 -6.354 -1.460 1.942 1.00 1.45 H new ATOM 0 HD13 ILE A 51 -7.436 -0.761 3.170 1.00 1.45 H new ATOM 790 N ASP A 52 -5.018 -2.554 7.410 1.00 0.79 N ATOM 791 CA ASP A 52 -4.735 -3.529 8.477 1.00 0.78 C ATOM 792 C ASP A 52 -6.082 -3.870 9.125 1.00 1.01 C ATOM 793 O ASP A 52 -6.390 -3.416 10.220 1.00 1.85 O ATOM 794 CB ASP A 52 -3.684 -3.001 9.488 1.00 0.96 C ATOM 795 CG ASP A 52 -3.066 -4.075 10.402 1.00 1.03 C ATOM 796 OD1 ASP A 52 -2.430 -5.018 9.877 1.00 1.94 O ATOM 797 OD2 ASP A 52 -3.113 -3.941 11.651 1.00 1.50 O ATOM 0 H ASP A 52 -4.716 -1.603 7.620 1.00 0.79 H new ATOM 0 HA ASP A 52 -4.280 -4.433 8.072 1.00 0.78 H new ATOM 0 HB2 ASP A 52 -2.883 -2.511 8.934 1.00 0.96 H new ATOM 0 HB3 ASP A 52 -4.152 -2.240 10.112 1.00 0.96 H new ATOM 802 N ASN A 53 -6.918 -4.614 8.396 1.00 0.73 N ATOM 803 CA ASN A 53 -8.298 -4.960 8.727 1.00 1.05 C ATOM 804 C ASN A 53 -8.389 -5.676 10.076 1.00 1.07 C ATOM 805 O ASN A 53 -9.330 -5.477 10.839 1.00 1.76 O ATOM 806 CB ASN A 53 -8.841 -5.838 7.593 1.00 1.47 C ATOM 807 CG ASN A 53 -10.181 -6.486 7.926 1.00 1.52 C ATOM 808 OD1 ASN A 53 -11.234 -5.898 7.712 1.00 2.20 O ATOM 809 ND2 ASN A 53 -10.158 -7.731 8.395 1.00 1.20 N ATOM 0 H ASN A 53 -6.629 -5.015 7.504 1.00 0.73 H new ATOM 0 HA ASN A 53 -8.897 -4.054 8.822 1.00 1.05 H new ATOM 0 HB2 ASN A 53 -8.951 -5.232 6.694 1.00 1.47 H new ATOM 0 HB3 ASN A 53 -8.114 -6.618 7.365 1.00 1.47 H new ATOM 0 HD21 ASN A 53 -11.032 -8.220 8.586 1.00 1.20 H new ATOM 0 HD22 ASN A 53 -9.266 -8.196 8.564 1.00 1.20 H new ATOM 816 N ASP A 54 -7.390 -6.510 10.353 1.00 0.89 N ATOM 817 CA ASP A 54 -7.126 -7.158 11.627 1.00 0.88 C ATOM 818 C ASP A 54 -6.933 -6.146 12.764 1.00 0.77 C ATOM 819 O ASP A 54 -7.188 -6.472 13.920 1.00 0.95 O ATOM 820 CB ASP A 54 -5.880 -8.052 11.469 1.00 1.18 C ATOM 821 CG ASP A 54 -4.673 -7.313 10.896 1.00 1.64 C ATOM 822 OD1 ASP A 54 -4.846 -6.661 9.847 1.00 3.03 O ATOM 823 OD2 ASP A 54 -3.570 -7.407 11.479 1.00 1.76 O ATOM 0 H ASP A 54 -6.701 -6.765 9.645 1.00 0.89 H new ATOM 0 HA ASP A 54 -7.991 -7.762 11.901 1.00 0.88 H new ATOM 0 HB2 ASP A 54 -5.614 -8.468 12.441 1.00 1.18 H new ATOM 0 HB3 ASP A 54 -6.125 -8.892 10.819 1.00 1.18 H new ATOM 828 N GLN A 55 -6.476 -4.933 12.443 1.00 0.70 N ATOM 829 CA GLN A 55 -6.088 -3.889 13.379 1.00 0.79 C ATOM 830 C GLN A 55 -5.132 -4.452 14.428 1.00 0.91 C ATOM 831 O GLN A 55 -5.351 -4.364 15.634 1.00 1.28 O ATOM 832 CB GLN A 55 -7.304 -3.123 13.931 1.00 0.94 C ATOM 833 CG GLN A 55 -7.673 -1.972 12.981 1.00 2.28 C ATOM 834 CD GLN A 55 -8.800 -1.106 13.532 1.00 2.55 C ATOM 835 OE1 GLN A 55 -8.582 0.027 13.958 1.00 3.26 O ATOM 836 NE2 GLN A 55 -10.023 -1.631 13.526 1.00 2.64 N ATOM 0 H GLN A 55 -6.363 -4.643 11.472 1.00 0.70 H new ATOM 0 HA GLN A 55 -5.525 -3.118 12.853 1.00 0.79 H new ATOM 0 HB2 GLN A 55 -8.151 -3.800 14.042 1.00 0.94 H new ATOM 0 HB3 GLN A 55 -7.078 -2.730 14.922 1.00 0.94 H new ATOM 0 HG2 GLN A 55 -6.794 -1.352 12.806 1.00 2.28 H new ATOM 0 HG3 GLN A 55 -7.971 -2.382 12.016 1.00 2.28 H new ATOM 0 HE21 GLN A 55 -10.172 -2.574 13.166 1.00 2.64 H new ATOM 0 HE22 GLN A 55 -10.812 -1.091 13.881 1.00 2.64 H new ATOM 845 N SER A 56 -4.026 -4.993 13.922 1.00 0.95 N ATOM 846 CA SER A 56 -2.894 -5.435 14.715 1.00 1.13 C ATOM 847 C SER A 56 -2.030 -4.237 15.093 1.00 1.11 C ATOM 848 O SER A 56 -1.539 -4.161 16.216 1.00 1.38 O ATOM 849 CB SER A 56 -2.071 -6.447 13.913 1.00 1.29 C ATOM 850 OG SER A 56 -1.601 -5.872 12.697 1.00 1.23 O ATOM 0 H SER A 56 -3.894 -5.138 12.921 1.00 0.95 H new ATOM 0 HA SER A 56 -3.253 -5.911 15.627 1.00 1.13 H new ATOM 0 HB2 SER A 56 -1.225 -6.788 14.510 1.00 1.29 H new ATOM 0 HB3 SER A 56 -2.680 -7.324 13.694 1.00 1.29 H new ATOM 856 N GLY A 57 -1.803 -3.333 14.129 1.00 0.99 N ATOM 857 CA GLY A 57 -0.828 -2.260 14.267 1.00 1.08 C ATOM 858 C GLY A 57 0.292 -2.376 13.231 1.00 1.05 C ATOM 859 O GLY A 57 0.898 -1.361 12.880 1.00 1.55 O ATOM 0 H GLY A 57 -2.294 -3.332 13.235 1.00 0.99 H new ATOM 0 HA2 GLY A 57 -1.328 -1.298 14.156 1.00 1.08 H new ATOM 0 HA3 GLY A 57 -0.400 -2.284 15.269 1.00 1.08 H new ATOM 863 N TYR A 58 0.578 -3.597 12.759 1.00 0.82 N ATOM 864 CA TYR A 58 1.640 -3.869 11.799 1.00 0.82 C ATOM 865 C TYR A 58 1.059 -4.467 10.520 1.00 0.79 C ATOM 866 O TYR A 58 0.190 -5.336 10.576 1.00 0.81 O ATOM 867 CB TYR A 58 2.701 -4.798 12.408 1.00 1.02 C ATOM 868 CG TYR A 58 3.705 -4.098 13.309 1.00 1.23 C ATOM 869 CD1 TYR A 58 3.374 -3.771 14.636 1.00 1.71 C ATOM 870 CD2 TYR A 58 4.976 -3.760 12.808 1.00 2.73 C ATOM 871 CE1 TYR A 58 4.306 -3.103 15.451 1.00 1.89 C ATOM 872 CE2 TYR A 58 5.904 -3.082 13.617 1.00 2.94 C ATOM 873 CZ TYR A 58 5.570 -2.757 14.941 1.00 1.83 C ATOM 874 OH TYR A 58 6.487 -2.130 15.730 1.00 2.17 O ATOM 0 H TYR A 58 0.066 -4.432 13.042 1.00 0.82 H new ATOM 0 HA TYR A 58 2.127 -2.927 11.546 1.00 0.82 H new ATOM 0 HB2 TYR A 58 2.198 -5.577 12.981 1.00 1.02 H new ATOM 0 HB3 TYR A 58 3.240 -5.293 11.600 1.00 1.02 H new ATOM 0 HD1 TYR A 58 2.403 -4.033 15.030 1.00 1.71 H new ATOM 0 HD2 TYR A 58 5.240 -4.024 11.795 1.00 2.73 H new ATOM 0 HE1 TYR A 58 4.050 -2.855 16.471 1.00 1.89 H new ATOM 0 HE2 TYR A 58 6.872 -2.812 13.221 1.00 2.94 H new ATOM 0 HH TYR A 58 7.305 -1.967 15.215 1.00 2.17 H new ATOM 884 N LEU A 59 1.561 -4.036 9.361 1.00 0.81 N ATOM 885 CA LEU A 59 1.287 -4.703 8.096 1.00 0.72 C ATOM 886 C LEU A 59 2.293 -5.841 7.964 1.00 0.66 C ATOM 887 O LEU A 59 3.279 -5.749 7.236 1.00 0.76 O ATOM 888 CB LEU A 59 1.350 -3.734 6.906 1.00 0.85 C ATOM 889 CG LEU A 59 0.106 -2.851 6.706 1.00 0.96 C ATOM 890 CD1 LEU A 59 -1.160 -3.646 6.355 1.00 1.75 C ATOM 891 CD2 LEU A 59 -0.173 -1.969 7.919 1.00 1.70 C ATOM 0 H LEU A 59 2.165 -3.219 9.278 1.00 0.81 H new ATOM 0 HA LEU A 59 0.270 -5.095 8.088 1.00 0.72 H new ATOM 0 HB2 LEU A 59 2.218 -3.086 7.032 1.00 0.85 H new ATOM 0 HB3 LEU A 59 1.514 -4.312 5.997 1.00 0.85 H new ATOM 0 HG LEU A 59 0.350 -2.221 5.851 1.00 0.96 H new ATOM 0 HD11 LEU A 59 -1.997 -2.960 6.228 1.00 1.75 H new ATOM 0 HD12 LEU A 59 -0.999 -4.196 5.428 1.00 1.75 H new ATOM 0 HD13 LEU A 59 -1.384 -4.347 7.159 1.00 1.75 H new ATOM 0 HD21 LEU A 59 -1.060 -1.363 7.732 1.00 1.70 H new ATOM 0 HD22 LEU A 59 -0.340 -2.597 8.794 1.00 1.70 H new ATOM 0 HD23 LEU A 59 0.681 -1.316 8.098 1.00 1.70 H new ATOM 903 N ASP A 60 2.032 -6.909 8.715 1.00 0.62 N ATOM 904 CA ASP A 60 2.742 -8.178 8.628 1.00 0.64 C ATOM 905 C ASP A 60 2.699 -8.699 7.181 1.00 0.61 C ATOM 906 O ASP A 60 1.780 -8.354 6.433 1.00 0.60 O ATOM 907 CB ASP A 60 2.106 -9.197 9.596 1.00 0.72 C ATOM 908 CG ASP A 60 1.527 -8.579 10.867 1.00 0.96 C ATOM 909 OD1 ASP A 60 0.439 -7.957 10.747 1.00 1.53 O ATOM 910 OD2 ASP A 60 2.186 -8.677 11.920 1.00 1.36 O ATOM 0 H ASP A 60 1.297 -6.912 9.422 1.00 0.62 H new ATOM 0 HA ASP A 60 3.784 -8.034 8.913 1.00 0.64 H new ATOM 0 HB2 ASP A 60 1.314 -9.732 9.073 1.00 0.72 H new ATOM 0 HB3 ASP A 60 2.859 -9.935 9.875 1.00 0.72 H new ATOM 915 N GLU A 61 3.665 -9.544 6.786 1.00 0.69 N ATOM 916 CA GLU A 61 3.771 -10.077 5.425 1.00 0.75 C ATOM 917 C GLU A 61 2.411 -10.538 4.884 1.00 0.65 C ATOM 918 O GLU A 61 1.967 -10.066 3.841 1.00 0.64 O ATOM 919 CB GLU A 61 4.850 -11.178 5.343 1.00 0.91 C ATOM 920 CG GLU A 61 6.233 -10.534 5.160 1.00 1.33 C ATOM 921 CD GLU A 61 7.377 -11.522 4.962 1.00 2.39 C ATOM 922 OE1 GLU A 61 7.537 -12.406 5.824 1.00 3.30 O ATOM 923 OE2 GLU A 61 8.116 -11.346 3.962 1.00 3.21 O ATOM 0 H GLU A 61 4.399 -9.877 7.411 1.00 0.69 H new ATOM 0 HA GLU A 61 4.095 -9.266 4.772 1.00 0.75 H new ATOM 0 HB2 GLU A 61 4.837 -11.782 6.250 1.00 0.91 H new ATOM 0 HB3 GLU A 61 4.637 -11.848 4.510 1.00 0.91 H new ATOM 0 HG2 GLU A 61 6.196 -9.865 4.300 1.00 1.33 H new ATOM 0 HG3 GLU A 61 6.450 -9.919 6.033 1.00 1.33 H new ATOM 930 N GLU A 62 1.719 -11.414 5.611 1.00 0.67 N ATOM 931 CA GLU A 62 0.390 -11.875 5.240 1.00 0.72 C ATOM 932 C GLU A 62 -0.633 -10.749 5.047 1.00 0.68 C ATOM 933 O GLU A 62 -1.476 -10.862 4.160 1.00 0.80 O ATOM 934 CB GLU A 62 -0.107 -12.890 6.289 1.00 0.95 C ATOM 935 CG GLU A 62 0.000 -14.344 5.817 1.00 1.32 C ATOM 936 CD GLU A 62 1.378 -14.700 5.278 1.00 2.60 C ATOM 937 OE1 GLU A 62 2.370 -14.290 5.912 1.00 3.62 O ATOM 938 OE2 GLU A 62 1.387 -15.376 4.223 1.00 3.63 O ATOM 0 H GLU A 62 2.070 -11.823 6.477 1.00 0.67 H new ATOM 0 HA GLU A 62 0.482 -12.349 4.263 1.00 0.72 H new ATOM 0 HB2 GLU A 62 0.470 -12.768 7.205 1.00 0.95 H new ATOM 0 HB3 GLU A 62 -1.146 -12.670 6.535 1.00 0.95 H new ATOM 0 HG2 GLU A 62 -0.240 -15.007 6.648 1.00 1.32 H new ATOM 0 HG3 GLU A 62 -0.744 -14.523 5.041 1.00 1.32 H new ATOM 945 N GLU A 63 -0.594 -9.657 5.816 1.00 0.66 N ATOM 946 CA GLU A 63 -1.508 -8.554 5.526 1.00 0.73 C ATOM 947 C GLU A 63 -1.165 -7.948 4.170 1.00 0.62 C ATOM 948 O GLU A 63 -2.057 -7.630 3.384 1.00 0.67 O ATOM 949 CB GLU A 63 -1.514 -7.493 6.632 1.00 0.92 C ATOM 950 CG GLU A 63 -2.747 -7.684 7.518 1.00 1.44 C ATOM 951 CD GLU A 63 -2.632 -8.934 8.365 1.00 1.69 C ATOM 952 OE1 GLU A 63 -1.971 -8.780 9.417 1.00 1.95 O ATOM 953 OE2 GLU A 63 -3.172 -9.984 7.965 1.00 3.25 O ATOM 0 H GLU A 63 0.031 -9.516 6.609 1.00 0.66 H new ATOM 0 HA GLU A 63 -2.521 -8.955 5.490 1.00 0.73 H new ATOM 0 HB2 GLU A 63 -0.607 -7.572 7.231 1.00 0.92 H new ATOM 0 HB3 GLU A 63 -1.520 -6.495 6.193 1.00 0.92 H new ATOM 0 HG2 GLU A 63 -2.870 -6.815 8.164 1.00 1.44 H new ATOM 0 HG3 GLU A 63 -3.639 -7.746 6.894 1.00 1.44 H new ATOM 960 N LEU A 64 0.127 -7.868 3.852 1.00 0.60 N ATOM 961 CA LEU A 64 0.560 -7.507 2.514 1.00 0.75 C ATOM 962 C LEU A 64 0.337 -8.637 1.503 1.00 0.94 C ATOM 963 O LEU A 64 0.872 -8.554 0.408 1.00 1.81 O ATOM 964 CB LEU A 64 2.029 -7.059 2.518 1.00 0.77 C ATOM 965 CG LEU A 64 2.342 -5.939 3.521 1.00 1.28 C ATOM 966 CD1 LEU A 64 3.846 -5.674 3.484 1.00 2.18 C ATOM 967 CD2 LEU A 64 1.588 -4.649 3.176 1.00 2.07 C ATOM 0 H LEU A 64 0.888 -8.049 4.507 1.00 0.60 H new ATOM 0 HA LEU A 64 -0.059 -6.669 2.195 1.00 0.75 H new ATOM 0 HB2 LEU A 64 2.659 -7.920 2.743 1.00 0.77 H new ATOM 0 HB3 LEU A 64 2.297 -6.721 1.517 1.00 0.77 H new ATOM 0 HG LEU A 64 2.024 -6.253 4.515 1.00 1.28 H new ATOM 0 HD11 LEU A 64 4.093 -4.881 4.189 1.00 2.18 H new ATOM 0 HD12 LEU A 64 4.382 -6.583 3.757 1.00 2.18 H new ATOM 0 HD13 LEU A 64 4.137 -5.369 2.479 1.00 2.18 H new ATOM 0 HD21 LEU A 64 1.833 -3.878 3.906 1.00 2.07 H new ATOM 0 HD22 LEU A 64 1.879 -4.312 2.181 1.00 2.07 H new ATOM 0 HD23 LEU A 64 0.515 -4.839 3.195 1.00 2.07 H new ATOM 979 N LYS A 65 -0.450 -9.672 1.817 1.00 0.72 N ATOM 980 CA LYS A 65 -1.016 -10.578 0.827 1.00 0.77 C ATOM 981 C LYS A 65 -2.453 -10.152 0.497 1.00 0.69 C ATOM 982 O LYS A 65 -3.103 -10.800 -0.325 1.00 1.02 O ATOM 983 CB LYS A 65 -0.949 -12.012 1.371 1.00 0.97 C ATOM 984 CG LYS A 65 -1.140 -13.104 0.308 1.00 1.23 C ATOM 985 CD LYS A 65 -0.570 -14.445 0.798 1.00 1.35 C ATOM 986 CE LYS A 65 -1.288 -14.977 2.048 1.00 1.74 C ATOM 987 NZ LYS A 65 -0.553 -16.097 2.670 1.00 2.02 N ATOM 0 H LYS A 65 -0.711 -9.901 2.776 1.00 0.72 H new ATOM 0 HA LYS A 65 -0.445 -10.539 -0.101 1.00 0.77 H new ATOM 0 HB2 LYS A 65 0.016 -12.159 1.856 1.00 0.97 H new ATOM 0 HB3 LYS A 65 -1.713 -12.132 2.139 1.00 0.97 H new ATOM 0 HG2 LYS A 65 -2.200 -13.215 0.080 1.00 1.23 H new ATOM 0 HG3 LYS A 65 -0.645 -12.809 -0.617 1.00 1.23 H new ATOM 0 HD2 LYS A 65 -0.649 -15.182 -0.002 1.00 1.35 H new ATOM 0 HD3 LYS A 65 0.491 -14.325 1.018 1.00 1.35 H new ATOM 0 HE2 LYS A 65 -1.402 -14.170 2.772 1.00 1.74 H new ATOM 0 HE3 LYS A 65 -2.291 -15.307 1.778 1.00 1.74 H new ATOM 0 HZ1 LYS A 65 -1.175 -16.590 3.342 1.00 2.02 H new ATOM 0 HZ2 LYS A 65 -0.244 -16.762 1.932 1.00 2.02 H new ATOM 0 HZ3 LYS A 65 0.279 -15.729 3.174 1.00 2.02 H new ATOM 1001 N PHE A 66 -2.959 -9.075 1.122 1.00 0.49 N ATOM 1002 CA PHE A 66 -4.304 -8.572 0.895 1.00 0.53 C ATOM 1003 C PHE A 66 -4.382 -7.047 1.079 1.00 0.58 C ATOM 1004 O PHE A 66 -5.426 -6.551 1.498 1.00 0.87 O ATOM 1005 CB PHE A 66 -5.274 -9.243 1.884 1.00 0.69 C ATOM 1006 CG PHE A 66 -5.375 -10.753 1.809 1.00 1.64 C ATOM 1007 CD1 PHE A 66 -6.265 -11.358 0.902 1.00 3.14 C ATOM 1008 CD2 PHE A 66 -4.607 -11.556 2.674 1.00 2.49 C ATOM 1009 CE1 PHE A 66 -6.365 -12.759 0.839 1.00 4.48 C ATOM 1010 CE2 PHE A 66 -4.710 -12.956 2.614 1.00 3.79 C ATOM 1011 CZ PHE A 66 -5.587 -13.558 1.695 1.00 4.58 C ATOM 0 H PHE A 66 -2.431 -8.531 1.804 1.00 0.49 H new ATOM 0 HA PHE A 66 -4.578 -8.807 -0.134 1.00 0.53 H new ATOM 0 HB2 PHE A 66 -4.973 -8.971 2.896 1.00 0.69 H new ATOM 0 HB3 PHE A 66 -6.268 -8.826 1.724 1.00 0.69 H new ATOM 0 HD1 PHE A 66 -6.872 -10.745 0.253 1.00 3.14 H new ATOM 0 HD2 PHE A 66 -3.937 -11.095 3.385 1.00 2.49 H new ATOM 0 HE1 PHE A 66 -7.039 -13.221 0.133 1.00 4.48 H new ATOM 0 HE2 PHE A 66 -4.115 -13.570 3.274 1.00 3.79 H new ATOM 0 HZ PHE A 66 -5.663 -14.634 1.647 1.00 4.58 H new ATOM 1021 N PHE A 67 -3.330 -6.289 0.760 1.00 0.49 N ATOM 1022 CA PHE A 67 -3.315 -4.833 0.905 1.00 0.56 C ATOM 1023 C PHE A 67 -4.350 -4.202 -0.048 1.00 0.57 C ATOM 1024 O PHE A 67 -5.426 -3.784 0.387 1.00 0.70 O ATOM 1025 CB PHE A 67 -1.858 -4.333 0.773 1.00 0.59 C ATOM 1026 CG PHE A 67 -1.619 -2.840 0.637 1.00 0.73 C ATOM 1027 CD1 PHE A 67 -1.467 -2.025 1.773 1.00 1.73 C ATOM 1028 CD2 PHE A 67 -1.328 -2.304 -0.630 1.00 2.15 C ATOM 1029 CE1 PHE A 67 -1.278 -0.639 1.624 1.00 1.74 C ATOM 1030 CE2 PHE A 67 -1.131 -0.921 -0.786 1.00 2.35 C ATOM 1031 CZ PHE A 67 -1.137 -0.082 0.341 1.00 1.20 C ATOM 0 H PHE A 67 -2.459 -6.672 0.391 1.00 0.49 H new ATOM 0 HA PHE A 67 -3.637 -4.509 1.895 1.00 0.56 H new ATOM 0 HB2 PHE A 67 -1.307 -4.680 1.647 1.00 0.59 H new ATOM 0 HB3 PHE A 67 -1.417 -4.821 -0.096 1.00 0.59 H new ATOM 0 HD1 PHE A 67 -1.495 -2.463 2.760 1.00 1.73 H new ATOM 0 HD2 PHE A 67 -1.256 -2.958 -1.487 1.00 2.15 H new ATOM 0 HE1 PHE A 67 -1.241 -0.003 2.496 1.00 1.74 H new ATOM 0 HE2 PHE A 67 -0.975 -0.504 -1.770 1.00 2.35 H new ATOM 0 HZ PHE A 67 -1.034 0.986 0.222 1.00 1.20 H new ATOM 1041 N LEU A 68 -4.099 -4.191 -1.360 1.00 0.51 N ATOM 1042 CA LEU A 68 -5.040 -3.665 -2.350 1.00 0.54 C ATOM 1043 C LEU A 68 -6.332 -4.485 -2.451 1.00 0.50 C ATOM 1044 O LEU A 68 -7.334 -3.991 -2.971 1.00 0.55 O ATOM 1045 CB LEU A 68 -4.367 -3.533 -3.721 1.00 0.69 C ATOM 1046 CG LEU A 68 -3.325 -2.407 -3.752 1.00 1.13 C ATOM 1047 CD1 LEU A 68 -2.258 -2.693 -4.812 1.00 2.41 C ATOM 1048 CD2 LEU A 68 -3.973 -1.042 -4.005 1.00 1.87 C ATOM 0 H LEU A 68 -3.234 -4.548 -1.766 1.00 0.51 H new ATOM 0 HA LEU A 68 -5.334 -2.675 -2.002 1.00 0.54 H new ATOM 0 HB2 LEU A 68 -3.887 -4.477 -3.980 1.00 0.69 H new ATOM 0 HB3 LEU A 68 -5.127 -3.343 -4.479 1.00 0.69 H new ATOM 0 HG LEU A 68 -2.851 -2.372 -2.771 1.00 1.13 H new ATOM 0 HD11 LEU A 68 -1.527 -1.884 -4.820 1.00 2.41 H new ATOM 0 HD12 LEU A 68 -1.757 -3.633 -4.579 1.00 2.41 H new ATOM 0 HD13 LEU A 68 -2.729 -2.766 -5.792 1.00 2.41 H new ATOM 0 HD21 LEU A 68 -3.203 -0.271 -4.020 1.00 1.87 H new ATOM 0 HD22 LEU A 68 -4.490 -1.057 -4.964 1.00 1.87 H new ATOM 0 HD23 LEU A 68 -4.688 -0.826 -3.211 1.00 1.87 H new ATOM 1060 N GLN A 69 -6.358 -5.720 -1.942 1.00 0.50 N ATOM 1061 CA GLN A 69 -7.579 -6.520 -1.938 1.00 0.50 C ATOM 1062 C GLN A 69 -8.719 -5.797 -1.204 1.00 0.53 C ATOM 1063 O GLN A 69 -9.873 -5.944 -1.595 1.00 0.81 O ATOM 1064 CB GLN A 69 -7.324 -7.916 -1.352 1.00 0.53 C ATOM 1065 CG GLN A 69 -6.423 -8.778 -2.255 1.00 0.99 C ATOM 1066 CD GLN A 69 -7.107 -9.300 -3.510 1.00 0.92 C ATOM 1067 OE1 GLN A 69 -8.317 -9.491 -3.543 1.00 1.86 O ATOM 1068 NE2 GLN A 69 -6.356 -9.517 -4.585 1.00 1.11 N ATOM 0 H GLN A 69 -5.549 -6.184 -1.529 1.00 0.50 H new ATOM 0 HA GLN A 69 -7.894 -6.652 -2.973 1.00 0.50 H new ATOM 0 HB2 GLN A 69 -6.860 -7.816 -0.371 1.00 0.53 H new ATOM 0 HB3 GLN A 69 -8.277 -8.424 -1.204 1.00 0.53 H new ATOM 0 HG2 GLN A 69 -5.553 -8.190 -2.548 1.00 0.99 H new ATOM 0 HG3 GLN A 69 -6.055 -9.626 -1.677 1.00 0.99 H new ATOM 0 HE21 GLN A 69 -5.350 -9.354 -4.545 1.00 1.11 H new ATOM 0 HE22 GLN A 69 -6.786 -9.846 -5.449 1.00 1.11 H new ATOM 1077 N LYS A 70 -8.418 -5.007 -0.161 1.00 0.54 N ATOM 1078 CA LYS A 70 -9.442 -4.206 0.512 1.00 0.60 C ATOM 1079 C LYS A 70 -9.704 -2.876 -0.207 1.00 0.69 C ATOM 1080 O LYS A 70 -10.703 -2.222 0.089 1.00 0.99 O ATOM 1081 CB LYS A 70 -9.095 -3.962 1.989 1.00 0.99 C ATOM 1082 CG LYS A 70 -9.283 -5.196 2.886 1.00 1.58 C ATOM 1083 CD LYS A 70 -8.061 -6.122 2.852 1.00 1.60 C ATOM 1084 CE LYS A 70 -8.161 -7.279 3.855 1.00 2.25 C ATOM 1085 NZ LYS A 70 -9.090 -8.338 3.407 1.00 3.73 N ATOM 0 H LYS A 70 -7.481 -4.909 0.229 1.00 0.54 H new ATOM 0 HA LYS A 70 -10.362 -4.789 0.472 1.00 0.60 H new ATOM 0 HB2 LYS A 70 -8.059 -3.629 2.058 1.00 0.99 H new ATOM 0 HB3 LYS A 70 -9.717 -3.151 2.369 1.00 0.99 H new ATOM 0 HG2 LYS A 70 -9.466 -4.874 3.911 1.00 1.58 H new ATOM 0 HG3 LYS A 70 -10.165 -5.748 2.563 1.00 1.58 H new ATOM 0 HD2 LYS A 70 -7.947 -6.528 1.847 1.00 1.60 H new ATOM 0 HD3 LYS A 70 -7.164 -5.540 3.065 1.00 1.60 H new ATOM 0 HE2 LYS A 70 -7.171 -7.709 4.008 1.00 2.25 H new ATOM 0 HE3 LYS A 70 -8.493 -6.893 4.819 1.00 2.25 H new ATOM 0 HZ1 LYS A 70 -9.122 -9.096 4.119 1.00 3.73 H new ATOM 0 HZ2 LYS A 70 -10.042 -7.936 3.286 1.00 3.73 H new ATOM 0 HZ3 LYS A 70 -8.761 -8.728 2.501 1.00 3.73 H new ATOM 1099 N PHE A 71 -8.840 -2.463 -1.142 1.00 0.76 N ATOM 1100 CA PHE A 71 -9.136 -1.310 -1.983 1.00 0.88 C ATOM 1101 C PHE A 71 -10.169 -1.720 -3.030 1.00 0.98 C ATOM 1102 O PHE A 71 -11.208 -1.076 -3.146 1.00 1.36 O ATOM 1103 CB PHE A 71 -7.887 -0.755 -2.690 1.00 0.87 C ATOM 1104 CG PHE A 71 -6.945 0.116 -1.876 1.00 1.38 C ATOM 1105 CD1 PHE A 71 -6.162 -0.444 -0.850 1.00 2.51 C ATOM 1106 CD2 PHE A 71 -6.652 1.417 -2.329 1.00 2.45 C ATOM 1107 CE1 PHE A 71 -5.028 0.237 -0.372 1.00 3.22 C ATOM 1108 CE2 PHE A 71 -5.540 2.116 -1.828 1.00 3.11 C ATOM 1109 CZ PHE A 71 -4.719 1.519 -0.858 1.00 3.11 C ATOM 0 H PHE A 71 -7.942 -2.908 -1.330 1.00 0.76 H new ATOM 0 HA PHE A 71 -9.519 -0.518 -1.339 1.00 0.88 H new ATOM 0 HB2 PHE A 71 -7.315 -1.600 -3.074 1.00 0.87 H new ATOM 0 HB3 PHE A 71 -8.219 -0.176 -3.552 1.00 0.87 H new ATOM 0 HD1 PHE A 71 -6.433 -1.400 -0.428 1.00 2.51 H new ATOM 0 HD2 PHE A 71 -7.288 1.882 -3.068 1.00 2.45 H new ATOM 0 HE1 PHE A 71 -4.394 -0.226 0.370 1.00 3.22 H new ATOM 0 HE2 PHE A 71 -5.318 3.110 -2.188 1.00 3.11 H new ATOM 0 HZ PHE A 71 -3.852 2.044 -0.486 1.00 3.11 H new ATOM 1119 N GLU A 72 -9.838 -2.759 -3.807 1.00 0.87 N ATOM 1120 CA GLU A 72 -10.590 -3.159 -4.991 1.00 1.19 C ATOM 1121 C GLU A 72 -11.149 -4.574 -4.816 1.00 1.51 C ATOM 1122 O GLU A 72 -12.364 -4.752 -4.788 1.00 2.99 O ATOM 1123 CB GLU A 72 -9.677 -3.023 -6.223 1.00 1.15 C ATOM 1124 CG GLU A 72 -10.414 -3.247 -7.553 1.00 1.42 C ATOM 1125 CD GLU A 72 -11.472 -2.182 -7.830 1.00 2.63 C ATOM 1126 OE1 GLU A 72 -11.161 -0.998 -7.580 1.00 3.38 O ATOM 1127 OE2 GLU A 72 -12.562 -2.575 -8.297 1.00 3.82 O ATOM 0 H GLU A 72 -9.028 -3.351 -3.623 1.00 0.87 H new ATOM 0 HA GLU A 72 -11.452 -2.508 -5.137 1.00 1.19 H new ATOM 0 HB2 GLU A 72 -9.229 -2.029 -6.227 1.00 1.15 H new ATOM 0 HB3 GLU A 72 -8.860 -3.741 -6.143 1.00 1.15 H new ATOM 0 HG2 GLU A 72 -9.690 -3.254 -8.368 1.00 1.42 H new ATOM 0 HG3 GLU A 72 -10.888 -4.229 -7.540 1.00 1.42 H new ATOM 1134 N SER A 73 -10.255 -5.567 -4.697 1.00 1.37 N ATOM 1135 CA SER A 73 -10.509 -7.003 -4.722 1.00 1.27 C ATOM 1136 C SER A 73 -10.059 -7.527 -6.086 1.00 1.18 C ATOM 1137 O SER A 73 -10.570 -7.115 -7.122 1.00 2.62 O ATOM 1138 CB SER A 73 -11.950 -7.412 -4.379 1.00 1.88 C ATOM 1139 OG SER A 73 -12.020 -8.804 -4.125 1.00 2.93 O ATOM 0 H SER A 73 -9.263 -5.365 -4.572 1.00 1.37 H new ATOM 0 HA SER A 73 -9.932 -7.465 -3.921 1.00 1.27 H new ATOM 0 HB2 SER A 73 -12.294 -6.859 -3.505 1.00 1.88 H new ATOM 0 HB3 SER A 73 -12.615 -7.152 -5.203 1.00 1.88 H new ATOM 0 HG SER A 73 -12.943 -9.051 -3.906 1.00 2.93 H new ATOM 1145 N GLY A 74 -9.072 -8.418 -6.071 1.00 1.51 N ATOM 1146 CA GLY A 74 -8.454 -8.990 -7.263 1.00 1.40 C ATOM 1147 C GLY A 74 -7.256 -8.166 -7.737 1.00 1.16 C ATOM 1148 O GLY A 74 -6.889 -8.216 -8.908 1.00 1.34 O ATOM 0 H GLY A 74 -8.668 -8.772 -5.204 1.00 1.51 H new ATOM 0 HA2 GLY A 74 -8.132 -10.010 -7.051 1.00 1.40 H new ATOM 0 HA3 GLY A 74 -9.193 -9.049 -8.062 1.00 1.40 H new ATOM 1152 N ALA A 75 -6.627 -7.422 -6.822 1.00 0.88 N ATOM 1153 CA ALA A 75 -5.433 -6.640 -7.099 1.00 0.78 C ATOM 1154 C ALA A 75 -4.172 -7.492 -6.918 1.00 0.93 C ATOM 1155 O ALA A 75 -4.241 -8.624 -6.444 1.00 1.88 O ATOM 1156 CB ALA A 75 -5.423 -5.422 -6.176 1.00 0.64 C ATOM 0 H ALA A 75 -6.943 -7.350 -5.855 1.00 0.88 H new ATOM 0 HA ALA A 75 -5.442 -6.303 -8.136 1.00 0.78 H new ATOM 0 HB1 ALA A 75 -4.533 -4.825 -6.372 1.00 0.64 H new ATOM 0 HB2 ALA A 75 -6.312 -4.819 -6.360 1.00 0.64 H new ATOM 0 HB3 ALA A 75 -5.417 -5.753 -5.137 1.00 0.64 H new ATOM 1162 N ARG A 76 -3.018 -6.920 -7.277 1.00 0.56 N ATOM 1163 CA ARG A 76 -1.724 -7.585 -7.456 1.00 0.51 C ATOM 1164 C ARG A 76 -1.210 -8.381 -6.248 1.00 0.48 C ATOM 1165 O ARG A 76 -0.259 -9.138 -6.399 1.00 0.79 O ATOM 1166 CB ARG A 76 -0.688 -6.515 -7.826 1.00 0.65 C ATOM 1167 CG ARG A 76 0.552 -7.069 -8.543 1.00 0.74 C ATOM 1168 CD ARG A 76 0.318 -7.311 -10.040 1.00 0.84 C ATOM 1169 NE ARG A 76 1.405 -6.708 -10.820 1.00 1.37 N ATOM 1170 CZ ARG A 76 1.600 -5.392 -10.957 1.00 2.48 C ATOM 1171 NH1 ARG A 76 0.727 -4.543 -10.418 1.00 3.75 N ATOM 1172 NH2 ARG A 76 2.663 -4.935 -11.613 1.00 3.04 N ATOM 0 H ARG A 76 -2.959 -5.919 -7.462 1.00 0.56 H new ATOM 0 HA ARG A 76 -1.873 -8.327 -8.240 1.00 0.51 H new ATOM 0 HB2 ARG A 76 -1.162 -5.770 -8.465 1.00 0.65 H new ATOM 0 HB3 ARG A 76 -0.371 -6.001 -6.918 1.00 0.65 H new ATOM 0 HG2 ARG A 76 1.380 -6.371 -8.418 1.00 0.74 H new ATOM 0 HG3 ARG A 76 0.850 -8.005 -8.071 1.00 0.74 H new ATOM 0 HD2 ARG A 76 0.265 -8.381 -10.240 1.00 0.84 H new ATOM 0 HD3 ARG A 76 -0.638 -6.883 -10.341 1.00 0.84 H new ATOM 0 HE ARG A 76 2.057 -7.336 -11.290 1.00 1.37 H new ATOM 0 HH11 ARG A 76 -0.081 -4.898 -9.907 1.00 3.75 H new ATOM 0 HH12 ARG A 76 0.866 -3.537 -10.517 1.00 3.75 H new ATOM 0 HH21 ARG A 76 3.335 -5.589 -12.015 1.00 3.04 H new ATOM 0 HH22 ARG A 76 2.807 -3.930 -11.714 1.00 3.04 H new ATOM 1186 N GLU A 77 -1.795 -8.196 -5.065 1.00 0.49 N ATOM 1187 CA GLU A 77 -1.362 -8.752 -3.785 1.00 0.51 C ATOM 1188 C GLU A 77 -0.818 -10.180 -3.867 1.00 0.42 C ATOM 1189 O GLU A 77 0.157 -10.534 -3.213 1.00 0.44 O ATOM 1190 CB GLU A 77 -2.560 -8.735 -2.835 1.00 0.75 C ATOM 1191 CG GLU A 77 -3.084 -7.321 -2.571 1.00 1.08 C ATOM 1192 CD GLU A 77 -1.993 -6.459 -1.990 1.00 2.37 C ATOM 1193 OE1 GLU A 77 -1.404 -6.927 -0.994 1.00 3.61 O ATOM 1194 OE2 GLU A 77 -1.875 -5.307 -2.456 1.00 2.97 O ATOM 0 H GLU A 77 -2.632 -7.621 -4.970 1.00 0.49 H new ATOM 0 HA GLU A 77 -0.536 -8.134 -3.433 1.00 0.51 H new ATOM 0 HB2 GLU A 77 -3.361 -9.342 -3.256 1.00 0.75 H new ATOM 0 HB3 GLU A 77 -2.275 -9.195 -1.889 1.00 0.75 H new ATOM 0 HG2 GLU A 77 -3.448 -6.882 -3.500 1.00 1.08 H new ATOM 0 HG3 GLU A 77 -3.929 -7.361 -1.884 1.00 1.08 H new ATOM 1201 N LEU A 78 -1.493 -11.011 -4.658 1.00 0.43 N ATOM 1202 CA LEU A 78 -1.096 -12.386 -4.904 1.00 0.43 C ATOM 1203 C LEU A 78 0.390 -12.512 -5.278 1.00 0.40 C ATOM 1204 O LEU A 78 1.042 -13.441 -4.812 1.00 0.49 O ATOM 1205 CB LEU A 78 -1.982 -13.033 -5.980 1.00 0.54 C ATOM 1206 CG LEU A 78 -3.506 -12.997 -5.738 1.00 0.77 C ATOM 1207 CD1 LEU A 78 -3.897 -13.196 -4.266 1.00 0.95 C ATOM 1208 CD2 LEU A 78 -4.178 -11.728 -6.272 1.00 0.93 C ATOM 0 H LEU A 78 -2.343 -10.739 -5.151 1.00 0.43 H new ATOM 0 HA LEU A 78 -1.237 -12.924 -3.966 1.00 0.43 H new ATOM 0 HB2 LEU A 78 -1.777 -12.541 -6.931 1.00 0.54 H new ATOM 0 HB3 LEU A 78 -1.679 -14.075 -6.089 1.00 0.54 H new ATOM 0 HG LEU A 78 -3.877 -13.848 -6.309 1.00 0.77 H new ATOM 0 HD11 LEU A 78 -4.982 -13.159 -4.170 1.00 0.95 H new ATOM 0 HD12 LEU A 78 -3.535 -14.164 -3.921 1.00 0.95 H new ATOM 0 HD13 LEU A 78 -3.452 -12.406 -3.661 1.00 0.95 H new ATOM 0 HD21 LEU A 78 -5.248 -11.769 -6.068 1.00 0.93 H new ATOM 0 HD22 LEU A 78 -3.749 -10.855 -5.781 1.00 0.93 H new ATOM 0 HD23 LEU A 78 -4.016 -11.656 -7.348 1.00 0.93 H new ATOM 1220 N THR A 79 0.927 -11.616 -6.116 1.00 0.36 N ATOM 1221 CA THR A 79 2.335 -11.661 -6.487 1.00 0.39 C ATOM 1222 C THR A 79 3.211 -11.241 -5.315 1.00 0.34 C ATOM 1223 O THR A 79 3.319 -10.059 -4.973 1.00 0.34 O ATOM 1224 CB THR A 79 2.659 -10.762 -7.677 1.00 0.49 C ATOM 1225 OG1 THR A 79 1.821 -11.029 -8.768 1.00 0.74 O ATOM 1226 CG2 THR A 79 4.094 -11.037 -8.157 1.00 0.76 C ATOM 0 H THR A 79 0.403 -10.854 -6.546 1.00 0.36 H new ATOM 0 HA THR A 79 2.541 -12.693 -6.769 1.00 0.39 H new ATOM 0 HB THR A 79 2.527 -9.733 -7.343 1.00 0.49 H new ATOM 0 HG1 THR A 79 2.054 -10.435 -9.512 1.00 0.74 H new ATOM 0 HG21 THR A 79 4.323 -10.394 -9.007 1.00 0.76 H new ATOM 0 HG22 THR A 79 4.794 -10.831 -7.347 1.00 0.76 H new ATOM 0 HG23 THR A 79 4.183 -12.081 -8.458 1.00 0.76 H new ATOM 1234 N GLU A 80 3.924 -12.219 -4.776 1.00 0.39 N ATOM 1235 CA GLU A 80 4.801 -12.043 -3.641 1.00 0.42 C ATOM 1236 C GLU A 80 5.881 -11.012 -3.967 1.00 0.42 C ATOM 1237 O GLU A 80 6.159 -10.148 -3.145 1.00 0.44 O ATOM 1238 CB GLU A 80 5.389 -13.384 -3.190 1.00 0.51 C ATOM 1239 CG GLU A 80 4.304 -14.443 -2.914 1.00 2.11 C ATOM 1240 CD GLU A 80 3.947 -15.304 -4.125 1.00 2.69 C ATOM 1241 OE1 GLU A 80 4.149 -14.820 -5.262 1.00 3.60 O ATOM 1242 OE2 GLU A 80 3.494 -16.444 -3.885 1.00 3.38 O ATOM 0 H GLU A 80 3.904 -13.176 -5.128 1.00 0.39 H new ATOM 0 HA GLU A 80 4.224 -11.658 -2.800 1.00 0.42 H new ATOM 0 HB2 GLU A 80 6.068 -13.756 -3.958 1.00 0.51 H new ATOM 0 HB3 GLU A 80 5.981 -13.232 -2.288 1.00 0.51 H new ATOM 0 HG2 GLU A 80 4.643 -15.093 -2.107 1.00 2.11 H new ATOM 0 HG3 GLU A 80 3.403 -13.941 -2.561 1.00 2.11 H new ATOM 1249 N SER A 81 6.471 -11.067 -5.165 1.00 0.47 N ATOM 1250 CA SER A 81 7.470 -10.110 -5.622 1.00 0.53 C ATOM 1251 C SER A 81 6.993 -8.660 -5.481 1.00 0.49 C ATOM 1252 O SER A 81 7.665 -7.832 -4.867 1.00 0.50 O ATOM 1253 CB SER A 81 7.809 -10.405 -7.086 1.00 0.60 C ATOM 1254 OG SER A 81 7.912 -11.797 -7.305 1.00 1.58 O ATOM 0 H SER A 81 6.261 -11.791 -5.852 1.00 0.47 H new ATOM 0 HA SER A 81 8.354 -10.220 -4.994 1.00 0.53 H new ATOM 0 HB2 SER A 81 7.039 -9.986 -7.734 1.00 0.60 H new ATOM 0 HB3 SER A 81 8.748 -9.920 -7.352 1.00 0.60 H new ATOM 0 HG SER A 81 8.127 -11.965 -8.246 1.00 1.58 H new ATOM 1260 N GLU A 82 5.837 -8.339 -6.069 1.00 0.50 N ATOM 1261 CA GLU A 82 5.332 -6.975 -6.145 1.00 0.49 C ATOM 1262 C GLU A 82 4.973 -6.509 -4.728 1.00 0.42 C ATOM 1263 O GLU A 82 5.318 -5.399 -4.318 1.00 0.49 O ATOM 1264 CB GLU A 82 4.140 -6.910 -7.120 1.00 0.56 C ATOM 1265 CG GLU A 82 4.405 -7.629 -8.464 1.00 1.16 C ATOM 1266 CD GLU A 82 4.404 -6.770 -9.718 1.00 1.45 C ATOM 1267 OE1 GLU A 82 4.904 -5.628 -9.695 1.00 2.49 O ATOM 1268 OE2 GLU A 82 3.913 -7.284 -10.749 1.00 2.78 O ATOM 0 H GLU A 82 5.225 -9.027 -6.507 1.00 0.50 H new ATOM 0 HA GLU A 82 6.090 -6.298 -6.539 1.00 0.49 H new ATOM 0 HB2 GLU A 82 3.266 -7.356 -6.644 1.00 0.56 H new ATOM 0 HB3 GLU A 82 3.898 -5.866 -7.317 1.00 0.56 H new ATOM 0 HG2 GLU A 82 5.372 -8.128 -8.396 1.00 1.16 H new ATOM 0 HG3 GLU A 82 3.652 -8.407 -8.586 1.00 1.16 H new ATOM 1275 N THR A 83 4.351 -7.403 -3.949 1.00 0.35 N ATOM 1276 CA THR A 83 4.095 -7.193 -2.532 1.00 0.38 C ATOM 1277 C THR A 83 5.395 -6.829 -1.840 1.00 0.41 C ATOM 1278 O THR A 83 5.479 -5.836 -1.124 1.00 0.47 O ATOM 1279 CB THR A 83 3.477 -8.468 -1.928 1.00 0.43 C ATOM 1280 OG1 THR A 83 2.088 -8.310 -1.971 1.00 0.58 O ATOM 1281 CG2 THR A 83 3.874 -8.779 -0.477 1.00 0.51 C ATOM 0 H THR A 83 4.011 -8.300 -4.296 1.00 0.35 H new ATOM 0 HA THR A 83 3.389 -6.375 -2.392 1.00 0.38 H new ATOM 0 HB THR A 83 3.854 -9.303 -2.518 1.00 0.43 H new ATOM 0 HG1 THR A 83 1.740 -8.222 -1.059 1.00 0.58 H new ATOM 0 HG21 THR A 83 3.382 -9.697 -0.154 1.00 0.51 H new ATOM 0 HG22 THR A 83 4.955 -8.905 -0.415 1.00 0.51 H new ATOM 0 HG23 THR A 83 3.567 -7.956 0.169 1.00 0.51 H new ATOM 1289 N LYS A 84 6.416 -7.652 -2.047 1.00 0.38 N ATOM 1290 CA LYS A 84 7.654 -7.551 -1.322 1.00 0.41 C ATOM 1291 C LYS A 84 8.459 -6.346 -1.805 1.00 0.44 C ATOM 1292 O LYS A 84 9.256 -5.821 -1.043 1.00 0.49 O ATOM 1293 CB LYS A 84 8.400 -8.889 -1.385 1.00 0.57 C ATOM 1294 CG LYS A 84 9.530 -8.927 -0.353 1.00 1.67 C ATOM 1295 CD LYS A 84 9.600 -10.296 0.346 1.00 2.13 C ATOM 1296 CE LYS A 84 10.649 -10.323 1.471 1.00 3.43 C ATOM 1297 NZ LYS A 84 10.285 -11.275 2.548 1.00 4.59 N ATOM 0 H LYS A 84 6.397 -8.410 -2.730 1.00 0.38 H new ATOM 0 HA LYS A 84 7.467 -7.362 -0.265 1.00 0.41 H new ATOM 0 HB2 LYS A 84 7.705 -9.708 -1.201 1.00 0.57 H new ATOM 0 HB3 LYS A 84 8.809 -9.037 -2.385 1.00 0.57 H new ATOM 0 HG2 LYS A 84 10.481 -8.717 -0.843 1.00 1.67 H new ATOM 0 HG3 LYS A 84 9.374 -8.144 0.389 1.00 1.67 H new ATOM 0 HD2 LYS A 84 8.621 -10.541 0.759 1.00 2.13 H new ATOM 0 HD3 LYS A 84 9.838 -11.065 -0.389 1.00 2.13 H new ATOM 0 HE2 LYS A 84 11.618 -10.599 1.056 1.00 3.43 H new ATOM 0 HE3 LYS A 84 10.755 -9.323 1.892 1.00 3.43 H new ATOM 0 HZ1 LYS A 84 11.050 -11.312 3.252 1.00 4.59 H new ATOM 0 HZ2 LYS A 84 9.407 -10.960 3.008 1.00 4.59 H new ATOM 0 HZ3 LYS A 84 10.143 -12.221 2.141 1.00 4.59 H new ATOM 1311 N SER A 85 8.228 -5.867 -3.027 1.00 0.45 N ATOM 1312 CA SER A 85 8.726 -4.582 -3.496 1.00 0.49 C ATOM 1313 C SER A 85 8.115 -3.444 -2.671 1.00 0.44 C ATOM 1314 O SER A 85 8.832 -2.534 -2.257 1.00 0.47 O ATOM 1315 CB SER A 85 8.454 -4.424 -4.996 1.00 0.62 C ATOM 1316 OG SER A 85 9.005 -5.526 -5.695 1.00 1.62 O ATOM 0 H SER A 85 7.682 -6.371 -3.726 1.00 0.45 H new ATOM 0 HA SER A 85 9.806 -4.538 -3.357 1.00 0.49 H new ATOM 0 HB2 SER A 85 7.381 -4.364 -5.177 1.00 0.62 H new ATOM 0 HB3 SER A 85 8.891 -3.494 -5.360 1.00 0.62 H new ATOM 0 HG SER A 85 8.489 -6.334 -5.492 1.00 1.62 H new ATOM 1322 N LEU A 86 6.803 -3.499 -2.395 1.00 0.41 N ATOM 1323 CA LEU A 86 6.182 -2.581 -1.441 1.00 0.42 C ATOM 1324 C LEU A 86 6.860 -2.760 -0.078 1.00 0.36 C ATOM 1325 O LEU A 86 7.485 -1.824 0.427 1.00 0.43 O ATOM 1326 CB LEU A 86 4.655 -2.793 -1.384 1.00 0.50 C ATOM 1327 CG LEU A 86 3.852 -1.539 -0.988 1.00 0.92 C ATOM 1328 CD1 LEU A 86 2.360 -1.884 -0.935 1.00 1.99 C ATOM 1329 CD2 LEU A 86 4.275 -0.947 0.359 1.00 2.32 C ATOM 0 H LEU A 86 6.159 -4.167 -2.818 1.00 0.41 H new ATOM 0 HA LEU A 86 6.326 -1.549 -1.761 1.00 0.42 H new ATOM 0 HB2 LEU A 86 4.312 -3.136 -2.360 1.00 0.50 H new ATOM 0 HB3 LEU A 86 4.437 -3.589 -0.672 1.00 0.50 H new ATOM 0 HG LEU A 86 4.056 -0.785 -1.748 1.00 0.92 H new ATOM 0 HD11 LEU A 86 1.791 -0.997 -0.655 1.00 1.99 H new ATOM 0 HD12 LEU A 86 2.032 -2.231 -1.915 1.00 1.99 H new ATOM 0 HD13 LEU A 86 2.194 -2.669 -0.198 1.00 1.99 H new ATOM 0 HD21 LEU A 86 3.669 -0.067 0.576 1.00 2.32 H new ATOM 0 HD22 LEU A 86 4.131 -1.689 1.144 1.00 2.32 H new ATOM 0 HD23 LEU A 86 5.326 -0.663 0.317 1.00 2.32 H new ATOM 1341 N MET A 87 6.764 -3.967 0.500 1.00 0.30 N ATOM 1342 CA MET A 87 7.323 -4.247 1.819 1.00 0.30 C ATOM 1343 C MET A 87 8.760 -3.733 1.966 1.00 0.33 C ATOM 1344 O MET A 87 9.090 -3.078 2.947 1.00 0.46 O ATOM 1345 CB MET A 87 7.270 -5.748 2.143 1.00 0.38 C ATOM 1346 CG MET A 87 7.370 -5.910 3.665 1.00 0.71 C ATOM 1347 SD MET A 87 7.450 -7.566 4.363 1.00 1.62 S ATOM 1348 CE MET A 87 9.068 -8.081 3.780 1.00 2.49 C ATOM 0 H MET A 87 6.300 -4.765 0.066 1.00 0.30 H new ATOM 0 HA MET A 87 6.701 -3.708 2.534 1.00 0.30 H new ATOM 0 HB2 MET A 87 6.342 -6.185 1.774 1.00 0.38 H new ATOM 0 HB3 MET A 87 8.088 -6.273 1.650 1.00 0.38 H new ATOM 0 HG2 MET A 87 8.258 -5.370 3.996 1.00 0.71 H new ATOM 0 HG3 MET A 87 6.509 -5.408 4.107 1.00 0.71 H new ATOM 0 HE1 MET A 87 9.305 -9.065 4.186 1.00 2.49 H new ATOM 0 HE2 MET A 87 9.064 -8.129 2.691 1.00 2.49 H new ATOM 0 HE3 MET A 87 9.819 -7.362 4.109 1.00 2.49 H new ATOM 1358 N ALA A 88 9.614 -4.053 0.996 1.00 0.34 N ATOM 1359 CA ALA A 88 11.044 -3.785 0.997 1.00 0.38 C ATOM 1360 C ALA A 88 11.358 -2.317 1.283 1.00 0.37 C ATOM 1361 O ALA A 88 12.318 -2.028 1.989 1.00 0.49 O ATOM 1362 CB ALA A 88 11.640 -4.216 -0.348 1.00 0.46 C ATOM 0 H ALA A 88 9.309 -4.530 0.148 1.00 0.34 H new ATOM 0 HA ALA A 88 11.497 -4.363 1.803 1.00 0.38 H new ATOM 0 HB1 ALA A 88 12.712 -4.017 -0.352 1.00 0.46 H new ATOM 0 HB2 ALA A 88 11.468 -5.282 -0.497 1.00 0.46 H new ATOM 0 HB3 ALA A 88 11.164 -3.656 -1.153 1.00 0.46 H new ATOM 1368 N ALA A 89 10.577 -1.398 0.709 1.00 0.33 N ATOM 1369 CA ALA A 89 10.773 0.032 0.916 1.00 0.36 C ATOM 1370 C ALA A 89 9.959 0.538 2.102 1.00 0.36 C ATOM 1371 O ALA A 89 10.404 1.425 2.822 1.00 0.50 O ATOM 1372 CB ALA A 89 10.390 0.780 -0.354 1.00 0.48 C ATOM 0 H ALA A 89 9.797 -1.626 0.092 1.00 0.33 H new ATOM 0 HA ALA A 89 11.824 0.212 1.142 1.00 0.36 H new ATOM 0 HB1 ALA A 89 10.535 1.850 -0.204 1.00 0.48 H new ATOM 0 HB2 ALA A 89 11.017 0.441 -1.179 1.00 0.48 H new ATOM 0 HB3 ALA A 89 9.344 0.585 -0.590 1.00 0.48 H new ATOM 1378 N ALA A 90 8.749 0.003 2.285 1.00 0.32 N ATOM 1379 CA ALA A 90 7.897 0.371 3.406 1.00 0.33 C ATOM 1380 C ALA A 90 8.597 0.113 4.732 1.00 0.29 C ATOM 1381 O ALA A 90 8.521 0.930 5.647 1.00 0.37 O ATOM 1382 CB ALA A 90 6.616 -0.455 3.344 1.00 0.36 C ATOM 0 H ALA A 90 8.339 -0.693 1.662 1.00 0.32 H new ATOM 0 HA ALA A 90 7.670 1.435 3.339 1.00 0.33 H new ATOM 0 HB1 ALA A 90 5.970 -0.187 4.180 1.00 0.36 H new ATOM 0 HB2 ALA A 90 6.098 -0.254 2.406 1.00 0.36 H new ATOM 0 HB3 ALA A 90 6.863 -1.515 3.402 1.00 0.36 H new ATOM 1388 N ASP A 91 9.241 -1.048 4.847 1.00 0.24 N ATOM 1389 CA ASP A 91 10.040 -1.361 6.006 1.00 0.29 C ATOM 1390 C ASP A 91 11.240 -0.417 6.030 1.00 0.47 C ATOM 1391 O ASP A 91 12.041 -0.435 5.098 1.00 1.20 O ATOM 1392 CB ASP A 91 10.518 -2.817 5.969 1.00 0.39 C ATOM 1393 CG ASP A 91 11.558 -3.030 7.051 1.00 0.87 C ATOM 1394 OD1 ASP A 91 11.427 -2.382 8.113 1.00 1.75 O ATOM 1395 OD2 ASP A 91 12.495 -3.817 6.838 1.00 0.80 O ATOM 0 H ASP A 91 9.217 -1.784 4.141 1.00 0.24 H new ATOM 0 HA ASP A 91 9.438 -1.234 6.906 1.00 0.29 H new ATOM 0 HB2 ASP A 91 9.676 -3.492 6.120 1.00 0.39 H new ATOM 0 HB3 ASP A 91 10.941 -3.048 4.991 1.00 0.39 H new ATOM 1400 N ASN A 92 11.380 0.370 7.098 1.00 0.86 N ATOM 1401 CA ASN A 92 12.534 1.249 7.267 1.00 0.97 C ATOM 1402 C ASN A 92 13.538 0.713 8.292 1.00 0.85 C ATOM 1403 O ASN A 92 14.477 1.430 8.637 1.00 1.07 O ATOM 1404 CB ASN A 92 12.087 2.695 7.527 1.00 1.25 C ATOM 1405 CG ASN A 92 11.415 2.921 8.878 1.00 2.00 C ATOM 1406 OD1 ASN A 92 11.489 2.096 9.782 1.00 3.31 O ATOM 1407 ND2 ASN A 92 10.749 4.061 9.026 1.00 2.44 N ATOM 0 H ASN A 92 10.704 0.415 7.861 1.00 0.86 H new ATOM 0 HA ASN A 92 13.087 1.262 6.328 1.00 0.97 H new ATOM 0 HB2 ASN A 92 12.957 3.348 7.455 1.00 1.25 H new ATOM 0 HB3 ASN A 92 11.397 2.995 6.738 1.00 1.25 H new ATOM 0 HD21 ASN A 92 10.283 4.268 9.909 1.00 2.44 H new ATOM 0 HD22 ASN A 92 10.704 4.729 8.257 1.00 2.44 H new ATOM 1414 N ASP A 93 13.397 -0.546 8.736 1.00 0.80 N ATOM 1415 CA ASP A 93 14.375 -1.195 9.607 1.00 0.71 C ATOM 1416 C ASP A 93 15.362 -2.018 8.780 1.00 0.73 C ATOM 1417 O ASP A 93 16.573 -1.919 8.971 1.00 0.86 O ATOM 1418 CB ASP A 93 13.704 -2.151 10.603 1.00 0.71 C ATOM 1419 CG ASP A 93 12.838 -1.469 11.645 1.00 0.85 C ATOM 1420 OD1 ASP A 93 13.404 -0.935 12.620 1.00 1.39 O ATOM 1421 OD2 ASP A 93 11.601 -1.556 11.464 1.00 0.66 O ATOM 0 H ASP A 93 12.601 -1.138 8.498 1.00 0.80 H new ATOM 0 HA ASP A 93 14.886 -0.399 10.149 1.00 0.71 H new ATOM 0 HB2 ASP A 93 13.091 -2.861 10.048 1.00 0.71 H new ATOM 0 HB3 ASP A 93 14.477 -2.726 11.112 1.00 0.71 H new ATOM 1426 N GLY A 94 14.836 -2.903 7.927 1.00 0.68 N ATOM 1427 CA GLY A 94 15.546 -4.075 7.443 1.00 0.79 C ATOM 1428 C GLY A 94 15.129 -5.283 8.285 1.00 0.75 C ATOM 1429 O GLY A 94 15.979 -6.043 8.749 1.00 0.89 O ATOM 0 H GLY A 94 13.891 -2.817 7.552 1.00 0.68 H new ATOM 0 HA2 GLY A 94 15.316 -4.249 6.392 1.00 0.79 H new ATOM 0 HA3 GLY A 94 16.623 -3.920 7.512 1.00 0.79 H new ATOM 1433 N ASP A 95 13.815 -5.453 8.477 1.00 0.64 N ATOM 1434 CA ASP A 95 13.180 -6.575 9.151 1.00 0.66 C ATOM 1435 C ASP A 95 12.079 -7.164 8.266 1.00 0.71 C ATOM 1436 O ASP A 95 12.177 -8.310 7.831 1.00 0.95 O ATOM 1437 CB ASP A 95 12.707 -6.207 10.573 1.00 0.59 C ATOM 1438 CG ASP A 95 11.758 -5.023 10.773 1.00 0.93 C ATOM 1439 OD1 ASP A 95 11.118 -4.499 9.833 1.00 1.84 O ATOM 1440 OD2 ASP A 95 11.589 -4.648 11.947 1.00 1.94 O ATOM 0 H ASP A 95 13.135 -4.769 8.145 1.00 0.64 H new ATOM 0 HA ASP A 95 13.921 -7.360 9.302 1.00 0.66 H new ATOM 0 HB2 ASP A 95 12.222 -7.088 10.993 1.00 0.59 H new ATOM 0 HB3 ASP A 95 13.597 -6.016 11.173 1.00 0.59 H new ATOM 1445 N GLY A 96 11.033 -6.387 8.001 1.00 0.52 N ATOM 1446 CA GLY A 96 9.893 -6.764 7.185 1.00 0.51 C ATOM 1447 C GLY A 96 8.616 -6.227 7.816 1.00 0.59 C ATOM 1448 O GLY A 96 7.816 -5.582 7.145 1.00 0.86 O ATOM 0 H GLY A 96 10.958 -5.438 8.367 1.00 0.52 H new ATOM 0 HA2 GLY A 96 10.007 -6.367 6.176 1.00 0.51 H new ATOM 0 HA3 GLY A 96 9.839 -7.849 7.096 1.00 0.51 H new ATOM 1452 N LYS A 97 8.434 -6.467 9.121 1.00 0.51 N ATOM 1453 CA LYS A 97 7.318 -5.911 9.872 1.00 0.59 C ATOM 1454 C LYS A 97 7.280 -4.387 9.680 1.00 0.57 C ATOM 1455 O LYS A 97 8.308 -3.719 9.838 1.00 0.78 O ATOM 1456 CB LYS A 97 7.389 -6.352 11.349 1.00 0.66 C ATOM 1457 CG LYS A 97 8.520 -5.695 12.157 1.00 2.44 C ATOM 1458 CD LYS A 97 8.641 -6.308 13.562 1.00 2.60 C ATOM 1459 CE LYS A 97 9.548 -5.493 14.505 1.00 4.52 C ATOM 1460 NZ LYS A 97 10.991 -5.701 14.265 1.00 5.27 N ATOM 0 H LYS A 97 9.058 -7.051 9.678 1.00 0.51 H new ATOM 0 HA LYS A 97 6.373 -6.300 9.493 1.00 0.59 H new ATOM 0 HB2 LYS A 97 6.437 -6.125 11.829 1.00 0.66 H new ATOM 0 HB3 LYS A 97 7.514 -7.434 11.386 1.00 0.66 H new ATOM 0 HG2 LYS A 97 9.464 -5.813 11.625 1.00 2.44 H new ATOM 0 HG3 LYS A 97 8.333 -4.624 12.241 1.00 2.44 H new ATOM 0 HD2 LYS A 97 7.647 -6.388 14.003 1.00 2.60 H new ATOM 0 HD3 LYS A 97 9.034 -7.321 13.477 1.00 2.60 H new ATOM 0 HE2 LYS A 97 9.318 -4.434 14.390 1.00 4.52 H new ATOM 0 HE3 LYS A 97 9.318 -5.759 15.537 1.00 4.52 H new ATOM 0 HZ1 LYS A 97 11.541 -5.124 14.933 1.00 5.27 H new ATOM 0 HZ2 LYS A 97 11.224 -6.705 14.402 1.00 5.27 H new ATOM 0 HZ3 LYS A 97 11.225 -5.421 13.291 1.00 5.27 H new ATOM 1474 N ILE A 98 6.116 -3.852 9.298 1.00 0.48 N ATOM 1475 CA ILE A 98 5.893 -2.445 8.981 1.00 0.41 C ATOM 1476 C ILE A 98 4.865 -1.897 9.952 1.00 0.44 C ATOM 1477 O ILE A 98 3.689 -2.244 9.854 1.00 0.72 O ATOM 1478 CB ILE A 98 5.413 -2.337 7.527 1.00 0.35 C ATOM 1479 CG1 ILE A 98 6.644 -2.493 6.632 1.00 0.42 C ATOM 1480 CG2 ILE A 98 4.707 -1.024 7.152 1.00 0.43 C ATOM 1481 CD1 ILE A 98 6.266 -3.279 5.392 1.00 0.41 C ATOM 0 H ILE A 98 5.271 -4.414 9.198 1.00 0.48 H new ATOM 0 HA ILE A 98 6.809 -1.863 9.079 1.00 0.41 H new ATOM 0 HB ILE A 98 4.662 -3.115 7.392 1.00 0.35 H new ATOM 0 HG12 ILE A 98 7.030 -1.513 6.352 1.00 0.42 H new ATOM 0 HG13 ILE A 98 7.439 -3.006 7.173 1.00 0.42 H new ATOM 0 HG21 ILE A 98 4.411 -1.057 6.103 1.00 0.43 H new ATOM 0 HG22 ILE A 98 3.822 -0.896 7.775 1.00 0.43 H new ATOM 0 HG23 ILE A 98 5.387 -0.187 7.311 1.00 0.43 H new ATOM 0 HD11 ILE A 98 7.141 -3.392 4.752 1.00 0.41 H new ATOM 0 HD12 ILE A 98 5.900 -4.264 5.683 1.00 0.41 H new ATOM 0 HD13 ILE A 98 5.485 -2.747 4.848 1.00 0.41 H new ATOM 1493 N GLY A 99 5.300 -1.059 10.892 1.00 0.56 N ATOM 1494 CA GLY A 99 4.368 -0.361 11.760 1.00 0.59 C ATOM 1495 C GLY A 99 3.531 0.648 10.968 1.00 0.46 C ATOM 1496 O GLY A 99 3.904 1.060 9.867 1.00 0.40 O ATOM 0 H GLY A 99 6.283 -0.852 11.067 1.00 0.56 H new ATOM 0 HA2 GLY A 99 3.711 -1.081 12.248 1.00 0.59 H new ATOM 0 HA3 GLY A 99 4.916 0.155 12.548 1.00 0.59 H new ATOM 1500 N ALA A 100 2.424 1.110 11.563 1.00 0.53 N ATOM 1501 CA ALA A 100 1.667 2.247 11.052 1.00 0.57 C ATOM 1502 C ALA A 100 2.605 3.429 10.830 1.00 0.51 C ATOM 1503 O ALA A 100 2.477 4.170 9.858 1.00 0.53 O ATOM 1504 CB ALA A 100 0.582 2.645 12.055 1.00 0.72 C ATOM 0 H ALA A 100 2.032 0.702 12.412 1.00 0.53 H new ATOM 0 HA ALA A 100 1.200 1.967 10.108 1.00 0.57 H new ATOM 0 HB1 ALA A 100 0.021 3.495 11.666 1.00 0.72 H new ATOM 0 HB2 ALA A 100 -0.094 1.805 12.212 1.00 0.72 H new ATOM 0 HB3 ALA A 100 1.045 2.919 13.003 1.00 0.72 H new ATOM 1510 N GLU A 101 3.552 3.583 11.757 1.00 0.51 N ATOM 1511 CA GLU A 101 4.555 4.621 11.722 1.00 0.51 C ATOM 1512 C GLU A 101 5.388 4.499 10.441 1.00 0.39 C ATOM 1513 O GLU A 101 5.426 5.438 9.652 1.00 0.44 O ATOM 1514 CB GLU A 101 5.375 4.559 13.016 1.00 0.61 C ATOM 1515 CG GLU A 101 6.091 5.878 13.319 1.00 1.63 C ATOM 1516 CD GLU A 101 6.570 5.895 14.765 1.00 1.78 C ATOM 1517 OE1 GLU A 101 7.351 4.983 15.109 1.00 2.45 O ATOM 1518 OE2 GLU A 101 6.109 6.790 15.505 1.00 2.33 O ATOM 0 H GLU A 101 3.635 2.969 12.567 1.00 0.51 H new ATOM 0 HA GLU A 101 4.102 5.612 11.684 1.00 0.51 H new ATOM 0 HB2 GLU A 101 4.717 4.307 13.848 1.00 0.61 H new ATOM 0 HB3 GLU A 101 6.111 3.759 12.938 1.00 0.61 H new ATOM 0 HG2 GLU A 101 6.939 6.003 12.646 1.00 1.63 H new ATOM 0 HG3 GLU A 101 5.417 6.716 13.142 1.00 1.63 H new ATOM 1525 N GLU A 102 5.991 3.327 10.200 1.00 0.32 N ATOM 1526 CA GLU A 102 6.733 3.036 8.976 1.00 0.29 C ATOM 1527 C GLU A 102 5.875 3.336 7.737 1.00 0.37 C ATOM 1528 O GLU A 102 6.325 3.989 6.795 1.00 0.45 O ATOM 1529 CB GLU A 102 7.213 1.574 8.983 1.00 0.26 C ATOM 1530 CG GLU A 102 8.107 1.231 10.185 1.00 0.44 C ATOM 1531 CD GLU A 102 8.769 -0.132 10.028 1.00 0.47 C ATOM 1532 OE1 GLU A 102 9.642 -0.331 9.157 1.00 2.23 O ATOM 1533 OE2 GLU A 102 8.436 -1.084 10.765 1.00 1.67 O ATOM 0 H GLU A 102 5.974 2.549 10.859 1.00 0.32 H new ATOM 0 HA GLU A 102 7.610 3.682 8.934 1.00 0.29 H new ATOM 0 HB2 GLU A 102 6.345 0.914 8.985 1.00 0.26 H new ATOM 0 HB3 GLU A 102 7.762 1.375 8.063 1.00 0.26 H new ATOM 0 HG2 GLU A 102 8.874 1.997 10.297 1.00 0.44 H new ATOM 0 HG3 GLU A 102 7.510 1.242 11.097 1.00 0.44 H new ATOM 1540 N PHE A 103 4.617 2.882 7.743 1.00 0.39 N ATOM 1541 CA PHE A 103 3.694 3.151 6.646 1.00 0.55 C ATOM 1542 C PHE A 103 3.546 4.659 6.397 1.00 0.52 C ATOM 1543 O PHE A 103 3.818 5.132 5.296 1.00 0.53 O ATOM 1544 CB PHE A 103 2.343 2.473 6.894 1.00 0.69 C ATOM 1545 CG PHE A 103 1.347 2.671 5.767 1.00 1.56 C ATOM 1546 CD1 PHE A 103 1.504 1.967 4.558 1.00 2.03 C ATOM 1547 CD2 PHE A 103 0.306 3.609 5.897 1.00 3.35 C ATOM 1548 CE1 PHE A 103 0.587 2.154 3.510 1.00 2.78 C ATOM 1549 CE2 PHE A 103 -0.638 3.763 4.866 1.00 4.17 C ATOM 1550 CZ PHE A 103 -0.504 3.025 3.676 1.00 3.49 C ATOM 0 H PHE A 103 4.218 2.326 8.499 1.00 0.39 H new ATOM 0 HA PHE A 103 4.112 2.721 5.736 1.00 0.55 H new ATOM 0 HB2 PHE A 103 2.504 1.405 7.042 1.00 0.69 H new ATOM 0 HB3 PHE A 103 1.915 2.862 7.818 1.00 0.69 H new ATOM 0 HD1 PHE A 103 2.330 1.282 4.436 1.00 2.03 H new ATOM 0 HD2 PHE A 103 0.232 4.212 6.790 1.00 3.35 H new ATOM 0 HE1 PHE A 103 0.720 1.628 2.576 1.00 2.78 H new ATOM 0 HE2 PHE A 103 -1.465 4.447 4.988 1.00 4.17 H new ATOM 0 HZ PHE A 103 -1.238 3.127 2.891 1.00 3.49 H new ATOM 1560 N GLN A 104 3.132 5.428 7.411 1.00 0.52 N ATOM 1561 CA GLN A 104 3.017 6.880 7.294 1.00 0.50 C ATOM 1562 C GLN A 104 4.356 7.486 6.859 1.00 0.46 C ATOM 1563 O GLN A 104 4.356 8.423 6.071 1.00 0.57 O ATOM 1564 CB GLN A 104 2.499 7.494 8.605 1.00 0.58 C ATOM 1565 CG GLN A 104 1.985 8.920 8.348 1.00 0.73 C ATOM 1566 CD GLN A 104 1.541 9.639 9.621 1.00 1.31 C ATOM 1567 OE1 GLN A 104 0.631 9.208 10.331 1.00 2.18 O ATOM 1568 NE2 GLN A 104 2.151 10.782 9.913 1.00 1.97 N ATOM 0 H GLN A 104 2.870 5.062 8.326 1.00 0.52 H new ATOM 0 HA GLN A 104 2.285 7.117 6.522 1.00 0.50 H new ATOM 0 HB2 GLN A 104 1.698 6.878 9.014 1.00 0.58 H new ATOM 0 HB3 GLN A 104 3.297 7.514 9.347 1.00 0.58 H new ATOM 0 HG2 GLN A 104 2.771 9.501 7.866 1.00 0.73 H new ATOM 0 HG3 GLN A 104 1.147 8.877 7.652 1.00 0.73 H new ATOM 0 HE21 GLN A 104 2.903 11.126 9.316 1.00 1.97 H new ATOM 0 HE22 GLN A 104 1.868 11.316 10.735 1.00 1.97 H new ATOM 1577 N GLU A 105 5.483 6.963 7.349 1.00 0.43 N ATOM 1578 CA GLU A 105 6.811 7.435 6.984 1.00 0.48 C ATOM 1579 C GLU A 105 6.993 7.354 5.467 1.00 0.43 C ATOM 1580 O GLU A 105 7.126 8.391 4.816 1.00 0.49 O ATOM 1581 CB GLU A 105 7.883 6.666 7.776 1.00 0.56 C ATOM 1582 CG GLU A 105 9.243 7.378 7.801 1.00 1.62 C ATOM 1583 CD GLU A 105 10.171 6.862 6.713 1.00 3.31 C ATOM 1584 OE1 GLU A 105 10.756 5.783 6.956 1.00 3.97 O ATOM 1585 OE2 GLU A 105 10.271 7.542 5.672 1.00 4.58 O ATOM 0 H GLU A 105 5.494 6.192 8.017 1.00 0.43 H new ATOM 0 HA GLU A 105 6.927 8.485 7.255 1.00 0.48 H new ATOM 0 HB2 GLU A 105 7.536 6.523 8.799 1.00 0.56 H new ATOM 0 HB3 GLU A 105 8.007 5.675 7.340 1.00 0.56 H new ATOM 0 HG2 GLU A 105 9.094 8.450 7.673 1.00 1.62 H new ATOM 0 HG3 GLU A 105 9.710 7.235 8.775 1.00 1.62 H new ATOM 1592 N MET A 106 6.901 6.151 4.881 1.00 0.38 N ATOM 1593 CA MET A 106 7.037 6.037 3.432 1.00 0.46 C ATOM 1594 C MET A 106 5.987 6.917 2.745 1.00 0.57 C ATOM 1595 O MET A 106 6.291 7.641 1.799 1.00 0.68 O ATOM 1596 CB MET A 106 7.021 4.579 2.929 1.00 0.59 C ATOM 1597 CG MET A 106 5.730 3.799 3.214 1.00 2.89 C ATOM 1598 SD MET A 106 5.344 2.377 2.160 1.00 4.63 S ATOM 1599 CE MET A 106 5.120 3.153 0.543 1.00 5.70 C ATOM 0 H MET A 106 6.738 5.273 5.374 1.00 0.38 H new ATOM 0 HA MET A 106 8.026 6.404 3.158 1.00 0.46 H new ATOM 0 HB2 MET A 106 7.194 4.582 1.853 1.00 0.59 H new ATOM 0 HB3 MET A 106 7.856 4.046 3.384 1.00 0.59 H new ATOM 0 HG2 MET A 106 5.773 3.448 4.245 1.00 2.89 H new ATOM 0 HG3 MET A 106 4.896 4.498 3.149 1.00 2.89 H new ATOM 0 HE1 MET A 106 4.642 2.447 -0.136 1.00 5.70 H new ATOM 0 HE2 MET A 106 4.492 4.038 0.648 1.00 5.70 H new ATOM 0 HE3 MET A 106 6.091 3.443 0.141 1.00 5.70 H new ATOM 1609 N VAL A 107 4.749 6.884 3.250 1.00 0.64 N ATOM 1610 CA VAL A 107 3.639 7.587 2.640 1.00 0.78 C ATOM 1611 C VAL A 107 3.771 9.115 2.783 1.00 0.91 C ATOM 1612 O VAL A 107 3.113 9.869 2.072 1.00 1.39 O ATOM 1613 CB VAL A 107 2.303 7.015 3.146 1.00 0.72 C ATOM 1614 CG1 VAL A 107 1.141 7.890 2.689 1.00 0.86 C ATOM 1615 CG2 VAL A 107 2.038 5.606 2.596 1.00 0.68 C ATOM 0 H VAL A 107 4.499 6.367 4.093 1.00 0.64 H new ATOM 0 HA VAL A 107 3.660 7.415 1.564 1.00 0.78 H new ATOM 0 HB VAL A 107 2.376 6.984 4.233 1.00 0.72 H new ATOM 0 HG11 VAL A 107 0.204 7.471 3.056 1.00 0.86 H new ATOM 0 HG12 VAL A 107 1.267 8.898 3.084 1.00 0.86 H new ATOM 0 HG13 VAL A 107 1.120 7.928 1.600 1.00 0.86 H new ATOM 0 HG21 VAL A 107 1.085 5.240 2.978 1.00 0.68 H new ATOM 0 HG22 VAL A 107 2.003 5.641 1.507 1.00 0.68 H new ATOM 0 HG23 VAL A 107 2.837 4.936 2.912 1.00 0.68 H new ATOM 1625 N HIS A 108 4.616 9.613 3.682 1.00 0.72 N ATOM 1626 CA HIS A 108 4.843 11.044 3.799 1.00 0.81 C ATOM 1627 C HIS A 108 5.741 11.552 2.659 1.00 0.88 C ATOM 1628 O HIS A 108 5.725 12.749 2.376 1.00 1.08 O ATOM 1629 CB HIS A 108 5.449 11.323 5.186 1.00 1.22 C ATOM 1630 CG HIS A 108 5.762 12.762 5.521 1.00 1.61 C ATOM 1631 ND1 HIS A 108 5.451 13.874 4.773 1.00 2.00 N ATOM 1632 CD2 HIS A 108 6.467 13.190 6.616 1.00 2.56 C ATOM 1633 CE1 HIS A 108 5.946 14.947 5.412 1.00 2.22 C ATOM 1634 NE2 HIS A 108 6.568 14.583 6.545 1.00 2.60 N ATOM 0 H HIS A 108 5.152 9.045 4.338 1.00 0.72 H new ATOM 0 HA HIS A 108 3.902 11.586 3.708 1.00 0.81 H new ATOM 0 HB2 HIS A 108 4.760 10.942 5.940 1.00 1.22 H new ATOM 0 HB3 HIS A 108 6.370 10.746 5.276 1.00 1.22 H new ATOM 0 HD1 HIS A 108 4.937 13.882 3.892 1.00 2.00 H new ATOM 0 HD2 HIS A 108 6.873 12.562 7.396 1.00 2.56 H new ATOM 0 HE1 HIS A 108 5.856 15.965 5.062 1.00 2.22 H new ATOM 1642 N SER A 109 6.544 10.660 2.068 1.00 0.99 N ATOM 1643 CA SER A 109 7.677 10.999 1.212 1.00 1.23 C ATOM 1644 C SER A 109 7.314 11.904 0.022 1.00 1.77 C ATOM 1645 O SER A 109 8.178 12.742 -0.323 1.00 2.16 O ATOM 1646 CB SER A 109 8.365 9.696 0.772 1.00 1.25 C ATOM 1647 OG SER A 109 9.602 9.931 0.125 1.00 1.58 O ATOM 1648 OXT SER A 109 6.214 11.739 -0.548 1.00 2.46 O ATOM 0 H SER A 109 6.416 9.654 2.178 1.00 0.99 H new ATOM 0 HA SER A 109 8.372 11.604 1.795 1.00 1.23 H new ATOM 0 HB2 SER A 109 8.529 9.062 1.644 1.00 1.25 H new ATOM 0 HB3 SER A 109 7.704 9.149 0.100 1.00 1.25 H new ATOM 0 HG SER A 109 10.003 9.075 -0.135 1.00 1.58 H new TER 1654 SER A 109 HETATM 1655 CA CA A 110 10.230 -2.398 9.978 1.00 0.63 CA HETATM 1656 CA CA A 111 -1.566 -6.959 10.599 1.00 1.14 CA