USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 789 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 55 LYS NZ :NH3+ 170:sc= 1.26 (180deg=0) USER MOD Set 1.2: A 74 TYR OH : rot 90:sc= 1.09 USER MOD Set 2.1: A 67 TYR OH : rot -135:sc= 1.13 USER MOD Set 2.2: A 78 THR OG1 : rot 170:sc= 0 USER MOD Set 3.1: A 58 THR OG1 : rot -140:sc= 1.15 USER MOD Set 3.2: A 60 LYS NZ :NH3+ -170:sc= 1.18 (180deg=-0.0161) USER MOD Set 4.1: A 47 THR OG1 : rot 4:sc= 0.919 USER MOD Set 4.2: A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -164:sc= -0.258 (180deg=-1.76!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 152:sc= 1.2 (180deg=1.09) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -174:sc= 0.953 (180deg=0.744) USER MOD Single : A 14 CYS SG : rot -4:sc= -1.55 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= -0.121 K(o=-0.12,f=-4.9!) USER MOD Single : A 19 THR OG1 : rot -27:sc= 0.18 USER MOD Single : A 28 THR OG1 : rot 18:sc= 0.458 USER MOD Single : A 31 ASN : amide:sc= -0.193 K(o=-0.19,f=-2.6!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -93:sc= 0.909 USER MOD Single : A 42 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.24) USER MOD Single : A 49 THR OG1 : rot 138:sc= 0.00974 USER MOD Single : A 52 ASN : amide:sc= -1.73 K(o=-1.7,f=-3.9!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.2) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0257 USER MOD Single : A 65 MET CE :methyl 170:sc= -0.0576 (180deg=-0.329) USER MOD Single : A 70 ASN : amide:sc= -0.183 K(o=-0.18,f=-1.1) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 178:sc= -0.41 (180deg=-0.415) USER MOD Single : A 86 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0218) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.067 USER MOD Single : A 97 TYR OH : rot -168:sc= 0.128 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 86:sc= 1.05 USER MOD Single : A 103 ASN : amide:sc= -0.298 K(o=-0.3,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.842 9.652 4.279 1.00 0.00 N ATOM 2 CA GLY A 1 -11.149 10.143 5.470 1.00 0.00 C ATOM 3 C GLY A 1 -10.411 11.404 5.056 1.00 0.00 C ATOM 4 O GLY A 1 -11.040 12.212 4.378 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.567 8.961 4.559 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.294 10.449 3.787 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.158 9.196 3.642 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.858 10.354 6.271 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.454 9.394 5.849 1.00 0.00 H new ATOM 10 N ASP A 2 -9.129 11.558 5.390 1.00 0.00 N ATOM 11 CA ASP A 2 -8.358 12.758 5.089 1.00 0.00 C ATOM 12 C ASP A 2 -6.919 12.345 4.782 1.00 0.00 C ATOM 13 O ASP A 2 -6.450 11.328 5.285 1.00 0.00 O ATOM 14 CB ASP A 2 -8.448 13.703 6.297 1.00 0.00 C ATOM 15 CG ASP A 2 -7.746 15.045 6.134 1.00 0.00 C ATOM 16 OD1 ASP A 2 -7.056 15.245 5.109 1.00 0.00 O ATOM 17 OD2 ASP A 2 -7.861 15.833 7.091 1.00 0.00 O ATOM 0 H ASP A 2 -8.594 10.843 5.883 1.00 0.00 H new ATOM 0 HA ASP A 2 -8.748 13.284 4.218 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.500 13.887 6.514 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.027 13.196 7.165 1.00 0.00 H new ATOM 22 N VAL A 3 -6.220 13.130 3.968 1.00 0.00 N ATOM 23 CA VAL A 3 -4.796 12.982 3.727 1.00 0.00 C ATOM 24 C VAL A 3 -4.019 13.255 5.014 1.00 0.00 C ATOM 25 O VAL A 3 -3.066 12.536 5.324 1.00 0.00 O ATOM 26 CB VAL A 3 -4.355 13.889 2.559 1.00 0.00 C ATOM 27 CG1 VAL A 3 -4.613 15.389 2.781 1.00 0.00 C ATOM 28 CG2 VAL A 3 -2.870 13.687 2.226 1.00 0.00 C ATOM 0 H VAL A 3 -6.640 13.901 3.449 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.576 11.957 3.430 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.982 13.577 1.724 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.272 15.950 1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.680 15.557 2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.070 15.725 3.664 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.590 14.340 1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.265 13.929 3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.699 12.649 1.942 1.00 0.00 H new ATOM 38 N GLU A 4 -4.426 14.279 5.770 1.00 0.00 N ATOM 39 CA GLU A 4 -3.703 14.678 6.969 1.00 0.00 C ATOM 40 C GLU A 4 -3.711 13.532 7.964 1.00 0.00 C ATOM 41 O GLU A 4 -2.658 13.095 8.428 1.00 0.00 O ATOM 42 CB GLU A 4 -4.321 15.938 7.590 1.00 0.00 C ATOM 43 CG GLU A 4 -3.780 17.212 6.932 1.00 0.00 C ATOM 44 CD GLU A 4 -2.317 17.421 7.293 1.00 0.00 C ATOM 45 OE1 GLU A 4 -2.040 17.742 8.466 1.00 0.00 O ATOM 46 OE2 GLU A 4 -1.466 17.148 6.418 1.00 0.00 O ATOM 0 H GLU A 4 -5.252 14.843 5.569 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.674 14.915 6.700 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.405 15.904 7.482 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.108 15.960 8.659 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.887 17.142 5.849 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.366 18.072 7.255 1.00 0.00 H new ATOM 53 N LYS A 5 -4.909 13.029 8.267 1.00 0.00 N ATOM 54 CA LYS A 5 -5.014 11.852 9.103 1.00 0.00 C ATOM 55 C LYS A 5 -4.342 10.674 8.424 1.00 0.00 C ATOM 56 O LYS A 5 -3.549 10.010 9.078 1.00 0.00 O ATOM 57 CB LYS A 5 -6.461 11.535 9.493 1.00 0.00 C ATOM 58 CG LYS A 5 -6.938 12.494 10.595 1.00 0.00 C ATOM 59 CD LYS A 5 -7.817 11.745 11.606 1.00 0.00 C ATOM 60 CE LYS A 5 -8.085 12.629 12.832 1.00 0.00 C ATOM 61 NZ LYS A 5 -8.913 11.938 13.841 1.00 0.00 N ATOM 0 H LYS A 5 -5.798 13.415 7.949 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.493 12.059 10.038 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.108 11.623 8.620 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.534 10.505 9.841 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.079 12.932 11.103 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.500 13.317 10.153 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.761 11.462 11.139 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.325 10.823 11.914 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.136 12.923 13.281 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.586 13.544 12.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.070 12.569 14.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.828 11.679 13.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.424 11.078 14.162 1.00 0.00 H new ATOM 75 N GLY A 6 -4.607 10.425 7.140 1.00 0.00 N ATOM 76 CA GLY A 6 -4.088 9.241 6.465 1.00 0.00 C ATOM 77 C GLY A 6 -2.586 9.117 6.689 1.00 0.00 C ATOM 78 O GLY A 6 -2.111 8.082 7.150 1.00 0.00 O ATOM 0 H GLY A 6 -5.178 11.029 6.550 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.593 8.351 6.840 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.299 9.301 5.397 1.00 0.00 H new ATOM 82 N LYS A 7 -1.842 10.197 6.435 1.00 0.00 N ATOM 83 CA LYS A 7 -0.389 10.194 6.520 1.00 0.00 C ATOM 84 C LYS A 7 0.143 10.096 7.948 1.00 0.00 C ATOM 85 O LYS A 7 1.324 9.822 8.145 1.00 0.00 O ATOM 86 CB LYS A 7 0.183 11.334 5.670 1.00 0.00 C ATOM 87 CG LYS A 7 0.409 12.626 6.430 1.00 0.00 C ATOM 88 CD LYS A 7 0.615 13.766 5.414 1.00 0.00 C ATOM 89 CE LYS A 7 1.347 14.989 5.985 1.00 0.00 C ATOM 90 NZ LYS A 7 0.576 15.672 7.044 1.00 0.00 N ATOM 0 H LYS A 7 -2.237 11.098 6.164 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.013 9.269 6.083 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.130 11.010 5.238 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.496 11.528 4.840 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.445 12.841 7.072 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.280 12.536 7.079 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.179 13.383 4.563 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.357 14.082 5.036 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.310 14.676 6.387 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.552 15.693 5.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.230 16.145 7.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.054 16.379 6.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.008 14.974 7.565 1.00 0.00 H new ATOM 104 N LYS A 8 -0.718 10.289 8.947 1.00 0.00 N ATOM 105 CA LYS A 8 -0.362 10.195 10.351 1.00 0.00 C ATOM 106 C LYS A 8 -0.656 8.768 10.836 1.00 0.00 C ATOM 107 O LYS A 8 0.186 8.117 11.455 1.00 0.00 O ATOM 108 CB LYS A 8 -1.159 11.284 11.094 1.00 0.00 C ATOM 109 CG LYS A 8 -0.506 11.864 12.357 1.00 0.00 C ATOM 110 CD LYS A 8 -0.534 10.903 13.554 1.00 0.00 C ATOM 111 CE LYS A 8 0.770 10.103 13.710 1.00 0.00 C ATOM 112 NZ LYS A 8 1.749 10.778 14.587 1.00 0.00 N ATOM 0 H LYS A 8 -1.700 10.519 8.793 1.00 0.00 H new ATOM 0 HA LYS A 8 0.697 10.370 10.539 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.348 12.103 10.400 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.129 10.870 11.370 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.529 12.126 12.135 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.017 12.787 12.630 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.717 11.472 14.466 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.368 10.210 13.438 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.541 9.118 14.117 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.215 9.946 12.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.609 10.198 14.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.991 11.707 14.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.337 10.905 15.534 1.00 0.00 H new ATOM 126 N ILE A 9 -1.858 8.274 10.542 1.00 0.00 N ATOM 127 CA ILE A 9 -2.377 6.989 10.983 1.00 0.00 C ATOM 128 C ILE A 9 -1.608 5.876 10.275 1.00 0.00 C ATOM 129 O ILE A 9 -1.229 4.883 10.892 1.00 0.00 O ATOM 130 CB ILE A 9 -3.904 6.964 10.733 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.690 7.366 11.992 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.442 5.607 10.286 1.00 0.00 C ATOM 133 CD1 ILE A 9 -4.493 8.833 12.375 1.00 0.00 C ATOM 0 H ILE A 9 -2.524 8.786 9.963 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.232 6.830 12.051 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.049 7.682 9.926 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.751 7.178 11.827 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.380 6.734 12.824 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.519 5.675 10.133 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.960 5.314 9.353 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.231 4.862 11.053 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.073 9.056 13.271 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.437 9.019 12.570 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.829 9.471 11.557 1.00 0.00 H new ATOM 145 N PHE A 10 -1.346 6.060 8.981 1.00 0.00 N ATOM 146 CA PHE A 10 -0.476 5.184 8.220 1.00 0.00 C ATOM 147 C PHE A 10 0.858 5.044 8.931 1.00 0.00 C ATOM 148 O PHE A 10 1.208 3.957 9.371 1.00 0.00 O ATOM 149 CB PHE A 10 -0.287 5.802 6.823 1.00 0.00 C ATOM 150 CG PHE A 10 0.864 5.264 6.006 1.00 0.00 C ATOM 151 CD1 PHE A 10 2.147 5.807 6.144 1.00 0.00 C ATOM 152 CD2 PHE A 10 0.682 4.151 5.189 1.00 0.00 C ATOM 153 CE1 PHE A 10 3.260 5.171 5.590 1.00 0.00 C ATOM 154 CE2 PHE A 10 1.786 3.512 4.610 1.00 0.00 C ATOM 155 CZ PHE A 10 3.074 4.020 4.808 1.00 0.00 C ATOM 0 H PHE A 10 -1.737 6.827 8.435 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.913 4.190 8.127 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.207 5.656 6.257 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.151 6.877 6.939 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.278 6.731 6.687 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.314 3.779 5.001 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.253 5.560 5.761 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.642 2.626 4.010 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.924 3.527 4.360 1.00 0.00 H new ATOM 165 N VAL A 11 1.610 6.133 9.074 1.00 0.00 N ATOM 166 CA VAL A 11 2.915 6.063 9.686 1.00 0.00 C ATOM 167 C VAL A 11 2.808 5.414 11.075 1.00 0.00 C ATOM 168 O VAL A 11 3.676 4.632 11.455 1.00 0.00 O ATOM 169 CB VAL A 11 3.568 7.459 9.672 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.695 7.545 10.695 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.130 7.856 8.298 1.00 0.00 C ATOM 0 H VAL A 11 1.331 7.067 8.773 1.00 0.00 H new ATOM 0 HA VAL A 11 3.583 5.418 9.115 1.00 0.00 H new ATOM 0 HB VAL A 11 2.767 8.154 9.924 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.139 8.540 10.665 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.297 7.356 11.692 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.456 6.801 10.461 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.575 8.849 8.360 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.890 7.136 7.994 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.324 7.864 7.564 1.00 0.00 H new ATOM 181 N GLN A 12 1.723 5.684 11.809 1.00 0.00 N ATOM 182 CA GLN A 12 1.461 5.033 13.085 1.00 0.00 C ATOM 183 C GLN A 12 1.494 3.496 12.997 1.00 0.00 C ATOM 184 O GLN A 12 1.961 2.868 13.944 1.00 0.00 O ATOM 185 CB GLN A 12 0.141 5.545 13.684 1.00 0.00 C ATOM 186 CG GLN A 12 0.104 5.422 15.210 1.00 0.00 C ATOM 187 CD GLN A 12 -1.254 5.838 15.770 1.00 0.00 C ATOM 188 OE1 GLN A 12 -1.940 5.051 16.411 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.664 7.081 15.529 1.00 0.00 N ATOM 0 H GLN A 12 1.009 6.357 11.532 1.00 0.00 H new ATOM 0 HA GLN A 12 2.275 5.303 13.758 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.001 6.589 13.403 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.690 4.984 13.257 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.319 4.393 15.499 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.885 6.045 15.646 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.074 7.718 14.993 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.568 7.397 15.881 1.00 0.00 H new ATOM 198 N LYS A 13 0.978 2.873 11.921 1.00 0.00 N ATOM 199 CA LYS A 13 0.863 1.415 11.858 1.00 0.00 C ATOM 200 C LYS A 13 0.989 0.788 10.457 1.00 0.00 C ATOM 201 O LYS A 13 0.434 -0.280 10.193 1.00 0.00 O ATOM 202 CB LYS A 13 -0.395 0.978 12.614 1.00 0.00 C ATOM 203 CG LYS A 13 -1.666 1.800 12.400 1.00 0.00 C ATOM 204 CD LYS A 13 -2.207 1.641 10.977 1.00 0.00 C ATOM 205 CE LYS A 13 -3.730 1.826 10.956 1.00 0.00 C ATOM 206 NZ LYS A 13 -4.467 0.731 11.624 1.00 0.00 N ATOM 0 H LYS A 13 0.638 3.358 11.091 1.00 0.00 H new ATOM 0 HA LYS A 13 1.744 1.010 12.355 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.611 -0.054 12.339 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.166 0.983 13.680 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.426 1.488 13.116 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.457 2.852 12.595 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.737 2.372 10.319 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.949 0.654 10.592 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.980 2.770 11.440 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.065 1.900 9.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.489 0.865 11.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.179 -0.181 11.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.252 0.738 12.641 1.00 0.00 H new ATOM 220 N CYS A 14 1.773 1.413 9.584 1.00 0.00 N ATOM 221 CA CYS A 14 2.176 0.892 8.283 1.00 0.00 C ATOM 222 C CYS A 14 3.692 1.102 8.126 1.00 0.00 C ATOM 223 O CYS A 14 4.392 0.181 7.722 1.00 0.00 O ATOM 224 CB CYS A 14 1.446 1.568 7.145 1.00 0.00 C ATOM 225 SG CYS A 14 -0.377 1.700 7.205 1.00 0.00 S ATOM 0 H CYS A 14 2.162 2.337 9.773 1.00 0.00 H new ATOM 0 HA CYS A 14 1.922 -0.167 8.241 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.845 2.578 7.054 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.706 1.039 6.228 1.00 0.00 H new ATOM 0 HG CYS A 14 -0.823 1.072 8.252 1.00 0.00 H new ATOM 230 N ALA A 15 4.218 2.296 8.455 1.00 0.00 N ATOM 231 CA ALA A 15 5.630 2.676 8.281 1.00 0.00 C ATOM 232 C ALA A 15 6.638 1.670 8.823 1.00 0.00 C ATOM 233 O ALA A 15 7.694 1.512 8.221 1.00 0.00 O ATOM 234 CB ALA A 15 5.922 4.039 8.893 1.00 0.00 C ATOM 0 H ALA A 15 3.655 3.044 8.861 1.00 0.00 H new ATOM 0 HA ALA A 15 5.760 2.704 7.199 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.973 4.286 8.746 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.301 4.794 8.412 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.702 4.013 9.960 1.00 0.00 H new ATOM 240 N GLN A 16 6.338 0.998 9.939 1.00 0.00 N ATOM 241 CA GLN A 16 7.153 -0.093 10.457 1.00 0.00 C ATOM 242 C GLN A 16 7.605 -1.010 9.312 1.00 0.00 C ATOM 243 O GLN A 16 8.775 -1.373 9.217 1.00 0.00 O ATOM 244 CB GLN A 16 6.324 -0.836 11.521 1.00 0.00 C ATOM 245 CG GLN A 16 7.170 -1.383 12.674 1.00 0.00 C ATOM 246 CD GLN A 16 7.665 -2.811 12.448 1.00 0.00 C ATOM 247 OE1 GLN A 16 8.555 -3.052 11.645 1.00 0.00 O ATOM 248 NE2 GLN A 16 7.109 -3.777 13.173 1.00 0.00 N ATOM 0 H GLN A 16 5.516 1.201 10.508 1.00 0.00 H new ATOM 0 HA GLN A 16 8.064 0.283 10.923 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.570 -0.159 11.922 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.792 -1.661 11.047 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.029 -0.729 12.825 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.582 -1.353 13.591 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.368 -3.554 13.837 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.424 -4.741 13.065 1.00 0.00 H new ATOM 257 N CYS A 17 6.662 -1.320 8.420 1.00 0.00 N ATOM 258 CA CYS A 17 6.870 -2.093 7.211 1.00 0.00 C ATOM 259 C CYS A 17 7.174 -1.187 5.996 1.00 0.00 C ATOM 260 O CYS A 17 7.925 -1.599 5.119 1.00 0.00 O ATOM 261 CB CYS A 17 5.663 -2.977 6.994 1.00 0.00 C ATOM 262 SG CYS A 17 5.439 -4.170 8.363 1.00 0.00 S ATOM 0 H CYS A 17 5.693 -1.022 8.533 1.00 0.00 H new ATOM 0 HA CYS A 17 7.751 -2.725 7.324 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.771 -2.358 6.902 1.00 0.00 H new ATOM 0 HB3 CYS A 17 5.773 -3.518 6.054 1.00 0.00 H new ATOM 0 HG CYS A 17 4.391 -4.903 8.132 1.00 0.00 H new ATOM 267 N HIS A 18 6.609 0.031 5.917 1.00 0.00 N ATOM 268 CA HIS A 18 6.607 0.869 4.711 1.00 0.00 C ATOM 269 C HIS A 18 7.006 2.328 4.956 1.00 0.00 C ATOM 270 O HIS A 18 6.145 3.205 4.939 1.00 0.00 O ATOM 271 CB HIS A 18 5.186 0.894 4.143 1.00 0.00 C ATOM 272 CG HIS A 18 4.707 -0.417 3.622 1.00 0.00 C ATOM 273 ND1 HIS A 18 5.022 -0.926 2.388 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.639 -1.109 4.115 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.162 -1.923 2.150 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.302 -2.075 3.163 1.00 0.00 N ATOM 0 H HIS A 18 6.132 0.466 6.707 1.00 0.00 H new ATOM 0 HA HIS A 18 7.343 0.430 4.038 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.503 1.233 4.922 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.142 1.628 3.339 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.768 -0.606 1.771 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.147 -0.942 5.062 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.162 -2.527 1.255 1.00 0.00 H new ATOM 284 N THR A 19 8.281 2.660 5.117 1.00 0.00 N ATOM 285 CA THR A 19 8.676 4.046 5.360 1.00 0.00 C ATOM 286 C THR A 19 8.685 4.884 4.063 1.00 0.00 C ATOM 287 O THR A 19 9.737 5.311 3.580 1.00 0.00 O ATOM 288 CB THR A 19 10.019 4.041 6.090 1.00 0.00 C ATOM 289 OG1 THR A 19 10.045 3.007 7.051 1.00 0.00 O ATOM 290 CG2 THR A 19 10.341 5.378 6.766 1.00 0.00 C ATOM 0 H THR A 19 9.055 1.996 5.085 1.00 0.00 H new ATOM 0 HA THR A 19 7.938 4.537 5.995 1.00 0.00 H new ATOM 0 HB THR A 19 10.784 3.872 5.332 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.131 2.812 7.347 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.307 5.309 7.267 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.377 6.166 6.014 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.568 5.611 7.499 1.00 0.00 H new ATOM 298 N VAL A 20 7.499 5.129 3.495 1.00 0.00 N ATOM 299 CA VAL A 20 7.258 6.018 2.376 1.00 0.00 C ATOM 300 C VAL A 20 7.118 7.463 2.885 1.00 0.00 C ATOM 301 O VAL A 20 6.025 7.913 3.234 1.00 0.00 O ATOM 302 CB VAL A 20 6.044 5.514 1.577 1.00 0.00 C ATOM 303 CG1 VAL A 20 4.708 5.579 2.325 1.00 0.00 C ATOM 304 CG2 VAL A 20 5.932 6.296 0.272 1.00 0.00 C ATOM 0 H VAL A 20 6.643 4.685 3.828 1.00 0.00 H new ATOM 0 HA VAL A 20 8.102 6.020 1.686 1.00 0.00 H new ATOM 0 HB VAL A 20 6.231 4.456 1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.912 5.203 1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.765 4.968 3.226 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.495 6.612 2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.072 5.938 -0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.806 7.356 0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.838 6.153 -0.317 1.00 0.00 H new ATOM 426 N THR A 28 9.749 -6.789 4.182 1.00 0.00 N ATOM 427 CA THR A 28 8.418 -7.035 4.713 1.00 0.00 C ATOM 428 C THR A 28 7.480 -5.880 4.345 1.00 0.00 C ATOM 429 O THR A 28 6.545 -5.613 5.080 1.00 0.00 O ATOM 430 CB THR A 28 8.488 -7.260 6.240 1.00 0.00 C ATOM 431 OG1 THR A 28 9.664 -7.978 6.576 1.00 0.00 O ATOM 432 CG2 THR A 28 7.297 -8.067 6.773 1.00 0.00 C ATOM 0 HA THR A 28 8.011 -7.942 4.266 1.00 0.00 H new ATOM 0 HB THR A 28 8.479 -6.268 6.692 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.299 -7.932 5.831 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.398 -8.195 7.851 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.371 -7.535 6.556 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.275 -9.045 6.292 1.00 0.00 H new ATOM 440 N GLY A 29 7.710 -5.216 3.210 1.00 0.00 N ATOM 441 CA GLY A 29 6.968 -4.022 2.836 1.00 0.00 C ATOM 442 C GLY A 29 7.860 -3.165 1.947 1.00 0.00 C ATOM 443 O GLY A 29 8.809 -2.566 2.439 1.00 0.00 O ATOM 0 H GLY A 29 8.416 -5.495 2.529 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.053 -4.293 2.308 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.670 -3.466 3.725 1.00 0.00 H new ATOM 447 N PRO A 30 7.640 -3.141 0.626 1.00 0.00 N ATOM 448 CA PRO A 30 8.382 -2.247 -0.246 1.00 0.00 C ATOM 449 C PRO A 30 8.014 -0.802 0.092 1.00 0.00 C ATOM 450 O PRO A 30 6.862 -0.519 0.411 1.00 0.00 O ATOM 451 CB PRO A 30 7.975 -2.599 -1.682 1.00 0.00 C ATOM 452 CG PRO A 30 6.994 -3.768 -1.576 1.00 0.00 C ATOM 453 CD PRO A 30 6.641 -3.903 -0.098 1.00 0.00 C ATOM 0 HA PRO A 30 9.460 -2.353 -0.124 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.510 -1.745 -2.175 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.846 -2.875 -2.276 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.101 -3.581 -2.173 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.443 -4.687 -1.953 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.640 -3.520 0.100 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.649 -4.948 0.211 1.00 0.00 H new ATOM 461 N ASN A 31 8.963 0.132 -0.005 1.00 0.00 N ATOM 462 CA ASN A 31 8.629 1.547 0.012 1.00 0.00 C ATOM 463 C ASN A 31 7.623 1.836 -1.101 1.00 0.00 C ATOM 464 O ASN A 31 7.851 1.487 -2.258 1.00 0.00 O ATOM 465 CB ASN A 31 9.884 2.417 -0.135 1.00 0.00 C ATOM 466 CG ASN A 31 10.600 2.252 -1.475 1.00 0.00 C ATOM 467 OD1 ASN A 31 10.731 1.150 -1.992 1.00 0.00 O ATOM 468 ND2 ASN A 31 11.115 3.345 -2.034 1.00 0.00 N ATOM 0 H ASN A 31 9.959 -0.069 -0.095 1.00 0.00 H new ATOM 0 HA ASN A 31 8.181 1.797 0.974 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.605 3.463 -0.010 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.579 2.174 0.669 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.631 3.274 -2.911 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.993 4.253 -1.585 1.00 0.00 H new ATOM 475 N LEU A 32 6.497 2.464 -0.758 1.00 0.00 N ATOM 476 CA LEU A 32 5.391 2.667 -1.683 1.00 0.00 C ATOM 477 C LEU A 32 5.719 3.826 -2.633 1.00 0.00 C ATOM 478 O LEU A 32 5.116 4.894 -2.575 1.00 0.00 O ATOM 479 CB LEU A 32 4.090 2.890 -0.897 1.00 0.00 C ATOM 480 CG LEU A 32 3.814 1.829 0.182 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.528 2.181 0.932 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.691 0.430 -0.429 1.00 0.00 C ATOM 0 H LEU A 32 6.330 2.846 0.173 1.00 0.00 H new ATOM 0 HA LEU A 32 5.243 1.779 -2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.128 3.871 -0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.254 2.906 -1.597 1.00 0.00 H new ATOM 0 HG LEU A 32 4.656 1.822 0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.335 1.428 1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.638 3.157 1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.694 2.209 0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.496 -0.296 0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.869 0.417 -1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.620 0.172 -0.938 1.00 0.00 H new ATOM 494 N HIS A 33 6.712 3.611 -3.497 1.00 0.00 N ATOM 495 CA HIS A 33 7.448 4.656 -4.194 1.00 0.00 C ATOM 496 C HIS A 33 6.576 5.528 -5.102 1.00 0.00 C ATOM 497 O HIS A 33 6.921 6.676 -5.362 1.00 0.00 O ATOM 498 CB HIS A 33 8.581 4.002 -4.993 1.00 0.00 C ATOM 499 CG HIS A 33 9.679 4.963 -5.370 1.00 0.00 C ATOM 500 ND1 HIS A 33 10.523 5.602 -4.492 1.00 0.00 N ATOM 501 CD2 HIS A 33 10.060 5.309 -6.638 1.00 0.00 C ATOM 502 CE1 HIS A 33 11.395 6.320 -5.221 1.00 0.00 C ATOM 503 NE2 HIS A 33 11.153 6.172 -6.535 1.00 0.00 N ATOM 0 H HIS A 33 7.033 2.673 -3.736 1.00 0.00 H new ATOM 0 HA HIS A 33 7.846 5.337 -3.442 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.006 3.188 -4.406 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.168 3.560 -5.900 1.00 0.00 H new ATOM 0 HD2 HIS A 33 9.598 4.974 -7.555 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.183 6.932 -4.807 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.666 6.604 -7.304 1.00 0.00 H new ATOM 511 N GLY A 34 5.482 4.973 -5.628 1.00 0.00 N ATOM 512 CA GLY A 34 4.544 5.721 -6.452 1.00 0.00 C ATOM 513 C GLY A 34 3.148 5.121 -6.372 1.00 0.00 C ATOM 514 O GLY A 34 2.190 5.843 -6.105 1.00 0.00 O ATOM 0 H GLY A 34 5.226 3.995 -5.492 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.516 6.760 -6.125 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.885 5.722 -7.487 1.00 0.00 H new ATOM 518 N LEU A 35 3.038 3.809 -6.615 1.00 0.00 N ATOM 519 CA LEU A 35 1.796 3.049 -6.657 1.00 0.00 C ATOM 520 C LEU A 35 0.868 3.563 -7.764 1.00 0.00 C ATOM 521 O LEU A 35 0.772 2.960 -8.831 1.00 0.00 O ATOM 522 CB LEU A 35 1.120 3.035 -5.281 1.00 0.00 C ATOM 523 CG LEU A 35 1.619 1.898 -4.378 1.00 0.00 C ATOM 524 CD1 LEU A 35 3.143 1.864 -4.248 1.00 0.00 C ATOM 525 CD2 LEU A 35 0.973 2.091 -3.006 1.00 0.00 C ATOM 0 H LEU A 35 3.856 3.227 -6.796 1.00 0.00 H new ATOM 0 HA LEU A 35 2.032 2.015 -6.906 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.298 3.989 -4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.042 2.940 -5.413 1.00 0.00 H new ATOM 0 HG LEU A 35 1.338 0.944 -4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.434 1.039 -3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.589 1.725 -5.233 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.493 2.804 -3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.304 1.300 -2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.265 3.059 -2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.112 2.052 -3.106 1.00 0.00 H new ATOM 537 N PHE A 36 0.215 4.692 -7.499 1.00 0.00 N ATOM 538 CA PHE A 36 -0.785 5.329 -8.334 1.00 0.00 C ATOM 539 C PHE A 36 -0.154 5.704 -9.670 1.00 0.00 C ATOM 540 O PHE A 36 0.552 6.704 -9.763 1.00 0.00 O ATOM 541 CB PHE A 36 -1.360 6.553 -7.605 1.00 0.00 C ATOM 542 CG PHE A 36 -2.068 6.234 -6.298 1.00 0.00 C ATOM 543 CD1 PHE A 36 -1.331 5.965 -5.126 1.00 0.00 C ATOM 544 CD2 PHE A 36 -3.473 6.152 -6.261 1.00 0.00 C ATOM 545 CE1 PHE A 36 -1.987 5.559 -3.955 1.00 0.00 C ATOM 546 CE2 PHE A 36 -4.122 5.844 -5.054 1.00 0.00 C ATOM 547 CZ PHE A 36 -3.387 5.574 -3.897 1.00 0.00 C ATOM 0 H PHE A 36 0.385 5.215 -6.640 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.611 4.646 -8.531 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.550 7.253 -7.403 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.061 7.059 -8.269 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.256 6.072 -5.130 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.050 6.325 -7.158 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.414 5.235 -3.099 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.201 5.816 -5.020 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.894 5.378 -2.964 1.00 0.00 H new ATOM 557 N GLY A 37 -0.396 4.891 -10.699 1.00 0.00 N ATOM 558 CA GLY A 37 0.180 5.119 -12.015 1.00 0.00 C ATOM 559 C GLY A 37 1.587 4.532 -12.093 1.00 0.00 C ATOM 560 O GLY A 37 2.538 5.208 -12.481 1.00 0.00 O ATOM 0 H GLY A 37 -0.992 4.065 -10.640 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.452 4.666 -12.778 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.214 6.188 -12.223 1.00 0.00 H new ATOM 564 N ARG A 38 1.712 3.248 -11.754 1.00 0.00 N ATOM 565 CA ARG A 38 2.927 2.465 -11.908 1.00 0.00 C ATOM 566 C ARG A 38 2.507 1.086 -12.398 1.00 0.00 C ATOM 567 O ARG A 38 1.392 0.663 -12.110 1.00 0.00 O ATOM 568 CB ARG A 38 3.654 2.381 -10.557 1.00 0.00 C ATOM 569 CG ARG A 38 5.146 2.691 -10.710 1.00 0.00 C ATOM 570 CD ARG A 38 5.826 2.827 -9.337 1.00 0.00 C ATOM 571 NE ARG A 38 6.564 4.098 -9.226 1.00 0.00 N ATOM 572 CZ ARG A 38 7.719 4.390 -9.842 1.00 0.00 C ATOM 573 NH1 ARG A 38 8.360 3.438 -10.529 1.00 0.00 N ATOM 574 NH2 ARG A 38 8.218 5.629 -9.774 1.00 0.00 N ATOM 0 H ARG A 38 0.942 2.712 -11.352 1.00 0.00 H new ATOM 0 HA ARG A 38 3.614 2.919 -12.622 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.204 3.083 -9.855 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.529 1.384 -10.135 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.629 1.898 -11.282 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.273 3.614 -11.275 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.074 2.771 -8.550 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.510 1.993 -9.184 1.00 0.00 H new ATOM 0 HE ARG A 38 6.161 4.819 -8.628 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.970 2.497 -10.582 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.239 3.653 -11.000 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.720 6.351 -9.254 1.00 0.00 H new ATOM 0 HH22 ARG A 38 9.096 5.851 -10.242 1.00 0.00 H new ATOM 588 N LYS A 39 3.372 0.382 -13.129 1.00 0.00 N ATOM 589 CA LYS A 39 3.086 -0.977 -13.551 1.00 0.00 C ATOM 590 C LYS A 39 3.446 -1.928 -12.412 1.00 0.00 C ATOM 591 O LYS A 39 4.627 -2.113 -12.114 1.00 0.00 O ATOM 592 CB LYS A 39 3.805 -1.313 -14.869 1.00 0.00 C ATOM 593 CG LYS A 39 5.288 -0.914 -15.000 1.00 0.00 C ATOM 594 CD LYS A 39 5.472 0.451 -15.690 1.00 0.00 C ATOM 595 CE LYS A 39 6.935 0.658 -16.114 1.00 0.00 C ATOM 596 NZ LYS A 39 7.126 1.920 -16.865 1.00 0.00 N ATOM 0 H LYS A 39 4.277 0.737 -13.438 1.00 0.00 H new ATOM 0 HA LYS A 39 2.023 -1.089 -13.764 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.733 -2.389 -15.025 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.257 -0.835 -15.681 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.741 -0.881 -14.009 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.818 -1.679 -15.567 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.824 0.512 -16.564 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.169 1.249 -15.013 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.571 0.664 -15.229 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.255 -0.182 -16.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.127 2.018 -17.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.540 1.905 -17.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.846 2.725 -16.269 1.00 0.00 H new ATOM 610 N THR A 40 2.444 -2.517 -11.754 1.00 0.00 N ATOM 611 CA THR A 40 2.668 -3.559 -10.784 1.00 0.00 C ATOM 612 C THR A 40 3.228 -4.792 -11.496 1.00 0.00 C ATOM 613 O THR A 40 3.211 -4.883 -12.721 1.00 0.00 O ATOM 614 CB THR A 40 1.316 -3.834 -10.129 1.00 0.00 C ATOM 615 OG1 THR A 40 0.726 -2.598 -9.775 1.00 0.00 O ATOM 616 CG2 THR A 40 1.424 -4.704 -8.890 1.00 0.00 C ATOM 0 H THR A 40 1.462 -2.276 -11.888 1.00 0.00 H new ATOM 0 HA THR A 40 3.393 -3.276 -10.021 1.00 0.00 H new ATOM 0 HB THR A 40 0.706 -4.378 -10.850 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.955 -2.380 -8.847 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.431 -4.864 -8.470 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.864 -5.665 -9.157 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.055 -4.209 -8.152 1.00 0.00 H new ATOM 624 N GLY A 41 3.716 -5.756 -10.720 1.00 0.00 N ATOM 625 CA GLY A 41 4.249 -6.988 -11.264 1.00 0.00 C ATOM 626 C GLY A 41 5.631 -6.783 -11.894 1.00 0.00 C ATOM 627 O GLY A 41 6.003 -7.504 -12.815 1.00 0.00 O ATOM 0 H GLY A 41 3.750 -5.700 -9.702 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.318 -7.735 -10.473 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.563 -7.381 -12.014 1.00 0.00 H new ATOM 631 N GLN A 42 6.391 -5.797 -11.398 1.00 0.00 N ATOM 632 CA GLN A 42 7.698 -5.409 -11.919 1.00 0.00 C ATOM 633 C GLN A 42 8.554 -4.826 -10.796 1.00 0.00 C ATOM 634 O GLN A 42 9.543 -5.438 -10.405 1.00 0.00 O ATOM 635 CB GLN A 42 7.542 -4.395 -13.069 1.00 0.00 C ATOM 636 CG GLN A 42 7.512 -5.052 -14.456 1.00 0.00 C ATOM 637 CD GLN A 42 8.818 -5.768 -14.797 1.00 0.00 C ATOM 638 OE1 GLN A 42 8.826 -6.948 -15.126 1.00 0.00 O ATOM 639 NE2 GLN A 42 9.945 -5.063 -14.718 1.00 0.00 N ATOM 0 H GLN A 42 6.100 -5.234 -10.599 1.00 0.00 H new ATOM 0 HA GLN A 42 8.197 -6.294 -12.314 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.622 -3.828 -12.923 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.365 -3.682 -13.030 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.689 -5.766 -14.498 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.312 -4.291 -15.210 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.914 -4.082 -14.442 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.839 -5.504 -14.934 1.00 0.00 H new ATOM 648 N ALA A 43 8.168 -3.648 -10.292 1.00 0.00 N ATOM 649 CA ALA A 43 8.865 -2.934 -9.219 1.00 0.00 C ATOM 650 C ALA A 43 10.384 -2.823 -9.505 1.00 0.00 C ATOM 651 O ALA A 43 10.756 -2.854 -10.679 1.00 0.00 O ATOM 652 CB ALA A 43 8.489 -3.579 -7.881 1.00 0.00 C ATOM 0 H ALA A 43 7.342 -3.154 -10.628 1.00 0.00 H new ATOM 0 HA ALA A 43 8.543 -1.894 -9.165 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.000 -3.059 -7.070 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.411 -3.510 -7.734 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.788 -4.627 -7.885 1.00 0.00 H new ATOM 658 N PRO A 44 11.273 -2.650 -8.503 1.00 0.00 N ATOM 659 CA PRO A 44 12.711 -2.709 -8.725 1.00 0.00 C ATOM 660 C PRO A 44 13.198 -4.154 -8.534 1.00 0.00 C ATOM 661 O PRO A 44 12.946 -5.001 -9.385 1.00 0.00 O ATOM 662 CB PRO A 44 13.298 -1.684 -7.749 1.00 0.00 C ATOM 663 CG PRO A 44 12.345 -1.732 -6.553 1.00 0.00 C ATOM 664 CD PRO A 44 11.003 -2.169 -7.152 1.00 0.00 C ATOM 0 HA PRO A 44 13.029 -2.454 -9.736 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.316 -1.944 -7.460 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.337 -0.688 -8.190 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.691 -2.437 -5.797 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.266 -0.759 -6.069 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.548 -2.954 -6.547 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.301 -1.336 -7.173 1.00 0.00 H new ATOM 672 N GLY A 45 13.888 -4.450 -7.427 1.00 0.00 N ATOM 673 CA GLY A 45 14.507 -5.744 -7.163 1.00 0.00 C ATOM 674 C GLY A 45 13.864 -6.416 -5.954 1.00 0.00 C ATOM 675 O GLY A 45 14.529 -6.664 -4.952 1.00 0.00 O ATOM 0 H GLY A 45 14.032 -3.777 -6.674 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.406 -6.386 -8.038 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.574 -5.612 -6.986 1.00 0.00 H new ATOM 679 N PHE A 46 12.563 -6.698 -6.047 1.00 0.00 N ATOM 680 CA PHE A 46 11.799 -7.402 -5.023 1.00 0.00 C ATOM 681 C PHE A 46 10.452 -7.775 -5.631 1.00 0.00 C ATOM 682 O PHE A 46 10.167 -8.950 -5.835 1.00 0.00 O ATOM 683 CB PHE A 46 11.661 -6.531 -3.756 1.00 0.00 C ATOM 684 CG PHE A 46 10.666 -6.959 -2.683 1.00 0.00 C ATOM 685 CD1 PHE A 46 10.271 -8.305 -2.520 1.00 0.00 C ATOM 686 CD2 PHE A 46 10.191 -5.990 -1.777 1.00 0.00 C ATOM 687 CE1 PHE A 46 9.359 -8.654 -1.506 1.00 0.00 C ATOM 688 CE2 PHE A 46 9.314 -6.352 -0.739 1.00 0.00 C ATOM 689 CZ PHE A 46 8.879 -7.680 -0.617 1.00 0.00 C ATOM 0 H PHE A 46 12.001 -6.436 -6.857 1.00 0.00 H new ATOM 0 HA PHE A 46 12.309 -8.312 -4.705 1.00 0.00 H new ATOM 0 HB2 PHE A 46 12.644 -6.467 -3.290 1.00 0.00 H new ATOM 0 HB3 PHE A 46 11.392 -5.524 -4.074 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.669 -9.067 -3.174 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.503 -4.961 -1.881 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.027 -9.677 -1.412 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.975 -5.607 -0.035 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.178 -7.952 0.158 1.00 0.00 H new ATOM 699 N THR A 47 9.645 -6.756 -5.932 1.00 0.00 N ATOM 700 CA THR A 47 8.280 -6.887 -6.419 1.00 0.00 C ATOM 701 C THR A 47 7.473 -7.953 -5.681 1.00 0.00 C ATOM 702 O THR A 47 6.719 -8.694 -6.309 1.00 0.00 O ATOM 703 CB THR A 47 8.214 -6.991 -7.947 1.00 0.00 C ATOM 704 OG1 THR A 47 6.890 -6.750 -8.393 1.00 0.00 O ATOM 705 CG2 THR A 47 8.779 -8.280 -8.531 1.00 0.00 C ATOM 0 H THR A 47 9.939 -5.784 -5.838 1.00 0.00 H new ATOM 0 HA THR A 47 7.774 -5.954 -6.172 1.00 0.00 H new ATOM 0 HB THR A 47 8.878 -6.215 -8.328 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.326 -6.510 -7.628 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.687 -8.258 -9.617 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.830 -8.373 -8.258 1.00 0.00 H new ATOM 0 HG23 THR A 47 8.225 -9.132 -8.137 1.00 0.00 H new ATOM 713 N TYR A 48 7.532 -7.923 -4.346 1.00 0.00 N ATOM 714 CA TYR A 48 6.630 -8.670 -3.488 1.00 0.00 C ATOM 715 C TYR A 48 6.731 -10.189 -3.729 1.00 0.00 C ATOM 716 O TYR A 48 7.612 -10.664 -4.443 1.00 0.00 O ATOM 717 CB TYR A 48 5.201 -8.107 -3.594 1.00 0.00 C ATOM 718 CG TYR A 48 4.905 -6.983 -4.573 1.00 0.00 C ATOM 719 CD1 TYR A 48 5.353 -5.688 -4.286 1.00 0.00 C ATOM 720 CD2 TYR A 48 4.311 -7.249 -5.819 1.00 0.00 C ATOM 721 CE1 TYR A 48 5.306 -4.692 -5.276 1.00 0.00 C ATOM 722 CE2 TYR A 48 4.214 -6.242 -6.792 1.00 0.00 C ATOM 723 CZ TYR A 48 4.731 -4.965 -6.525 1.00 0.00 C ATOM 724 OH TYR A 48 4.811 -4.037 -7.519 1.00 0.00 O ATOM 0 H TYR A 48 8.218 -7.370 -3.832 1.00 0.00 H new ATOM 0 HA TYR A 48 6.937 -8.536 -2.451 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.541 -8.938 -3.843 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.914 -7.759 -2.602 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.735 -5.454 -3.303 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.926 -8.236 -6.029 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.714 -3.713 -5.074 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.744 -6.449 -7.742 1.00 0.00 H new ATOM 0 HH TYR A 48 4.365 -4.378 -8.322 1.00 0.00 H new ATOM 734 N THR A 49 5.852 -10.975 -3.106 1.00 0.00 N ATOM 735 CA THR A 49 5.703 -12.382 -3.461 1.00 0.00 C ATOM 736 C THR A 49 5.151 -12.506 -4.884 1.00 0.00 C ATOM 737 O THR A 49 4.336 -11.687 -5.299 1.00 0.00 O ATOM 738 CB THR A 49 4.780 -13.121 -2.482 1.00 0.00 C ATOM 739 OG1 THR A 49 3.478 -12.578 -2.481 1.00 0.00 O ATOM 740 CG2 THR A 49 5.329 -13.138 -1.059 1.00 0.00 C ATOM 0 H THR A 49 5.236 -10.661 -2.356 1.00 0.00 H new ATOM 0 HA THR A 49 6.689 -12.843 -3.406 1.00 0.00 H new ATOM 0 HB THR A 49 4.734 -14.150 -2.838 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.821 -13.304 -2.453 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.637 -13.673 -0.408 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.297 -13.638 -1.049 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.445 -12.115 -0.702 1.00 0.00 H new ATOM 748 N ASP A 50 5.553 -13.554 -5.611 1.00 0.00 N ATOM 749 CA ASP A 50 5.146 -13.837 -6.987 1.00 0.00 C ATOM 750 C ASP A 50 3.633 -13.791 -7.192 1.00 0.00 C ATOM 751 O ASP A 50 3.178 -13.380 -8.246 1.00 0.00 O ATOM 752 CB ASP A 50 5.750 -15.175 -7.448 1.00 0.00 C ATOM 753 CG ASP A 50 6.400 -15.026 -8.817 1.00 0.00 C ATOM 754 OD1 ASP A 50 5.644 -14.884 -9.800 1.00 0.00 O ATOM 755 OD2 ASP A 50 7.650 -14.982 -8.853 1.00 0.00 O ATOM 0 H ASP A 50 6.196 -14.254 -5.240 1.00 0.00 H new ATOM 0 HA ASP A 50 5.541 -13.038 -7.614 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.490 -15.515 -6.723 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.971 -15.937 -7.490 1.00 0.00 H new ATOM 760 N ALA A 51 2.826 -14.154 -6.196 1.00 0.00 N ATOM 761 CA ALA A 51 1.374 -14.015 -6.294 1.00 0.00 C ATOM 762 C ALA A 51 0.938 -12.563 -6.462 1.00 0.00 C ATOM 763 O ALA A 51 0.032 -12.271 -7.242 1.00 0.00 O ATOM 764 CB ALA A 51 0.730 -14.663 -5.061 1.00 0.00 C ATOM 0 H ALA A 51 3.153 -14.546 -5.313 1.00 0.00 H new ATOM 0 HA ALA A 51 1.034 -14.529 -7.193 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.354 -14.565 -5.123 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.998 -15.719 -5.023 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.088 -14.166 -4.160 1.00 0.00 H new ATOM 770 N ASN A 52 1.586 -11.640 -5.760 1.00 0.00 N ATOM 771 CA ASN A 52 1.322 -10.225 -5.947 1.00 0.00 C ATOM 772 C ASN A 52 1.998 -9.768 -7.248 1.00 0.00 C ATOM 773 O ASN A 52 1.383 -9.094 -8.072 1.00 0.00 O ATOM 774 CB ASN A 52 1.807 -9.501 -4.693 1.00 0.00 C ATOM 775 CG ASN A 52 1.410 -8.030 -4.610 1.00 0.00 C ATOM 776 OD1 ASN A 52 1.239 -7.351 -5.618 1.00 0.00 O ATOM 777 ND2 ASN A 52 1.213 -7.533 -3.391 1.00 0.00 N ATOM 0 H ASN A 52 2.296 -11.849 -5.058 1.00 0.00 H new ATOM 0 HA ASN A 52 0.263 -9.996 -6.063 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.415 -10.019 -3.817 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.894 -9.573 -4.646 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.912 -6.565 -3.277 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.363 -8.120 -2.571 1.00 0.00 H new ATOM 784 N LYS A 53 3.245 -10.194 -7.489 1.00 0.00 N ATOM 785 CA LYS A 53 3.974 -9.861 -8.707 1.00 0.00 C ATOM 786 C LYS A 53 3.191 -10.301 -9.946 1.00 0.00 C ATOM 787 O LYS A 53 3.251 -9.672 -10.996 1.00 0.00 O ATOM 788 CB LYS A 53 5.423 -10.379 -8.685 1.00 0.00 C ATOM 789 CG LYS A 53 5.742 -11.374 -9.811 1.00 0.00 C ATOM 790 CD LYS A 53 7.223 -11.760 -9.819 1.00 0.00 C ATOM 791 CE LYS A 53 7.933 -11.122 -11.013 1.00 0.00 C ATOM 792 NZ LYS A 53 9.285 -11.688 -11.186 1.00 0.00 N ATOM 0 H LYS A 53 3.772 -10.779 -6.841 1.00 0.00 H new ATOM 0 HA LYS A 53 4.063 -8.776 -8.758 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.104 -9.531 -8.759 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.613 -10.858 -7.725 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.133 -12.270 -9.689 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.475 -10.935 -10.772 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.695 -11.436 -8.891 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.323 -12.844 -9.865 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.348 -11.284 -11.918 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.002 -10.044 -10.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.747 -11.239 -12.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.848 -11.511 -10.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.214 -12.713 -11.348 1.00 0.00 H new ATOM 806 N ASN A 54 2.447 -11.397 -9.847 1.00 0.00 N ATOM 807 CA ASN A 54 1.752 -11.947 -10.989 1.00 0.00 C ATOM 808 C ASN A 54 0.633 -10.997 -11.459 1.00 0.00 C ATOM 809 O ASN A 54 0.052 -11.210 -12.517 1.00 0.00 O ATOM 810 CB ASN A 54 1.210 -13.343 -10.659 1.00 0.00 C ATOM 811 CG ASN A 54 0.560 -14.009 -11.868 1.00 0.00 C ATOM 812 OD1 ASN A 54 -0.648 -14.226 -11.895 1.00 0.00 O ATOM 813 ND2 ASN A 54 1.359 -14.369 -12.870 1.00 0.00 N ATOM 0 H ASN A 54 2.314 -11.919 -8.981 1.00 0.00 H new ATOM 0 HA ASN A 54 2.457 -12.049 -11.814 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.024 -13.970 -10.295 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.481 -13.267 -9.853 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.971 -14.838 -13.688 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.359 -14.175 -12.820 1.00 0.00 H new ATOM 820 N LYS A 55 0.301 -9.965 -10.666 1.00 0.00 N ATOM 821 CA LYS A 55 -0.904 -9.165 -10.871 1.00 0.00 C ATOM 822 C LYS A 55 -0.933 -8.413 -12.208 1.00 0.00 C ATOM 823 O LYS A 55 -1.884 -8.545 -12.973 1.00 0.00 O ATOM 824 CB LYS A 55 -1.047 -8.134 -9.749 1.00 0.00 C ATOM 825 CG LYS A 55 -1.585 -8.671 -8.417 1.00 0.00 C ATOM 826 CD LYS A 55 -3.054 -8.274 -8.180 1.00 0.00 C ATOM 827 CE LYS A 55 -4.069 -9.120 -8.957 1.00 0.00 C ATOM 828 NZ LYS A 55 -5.447 -8.886 -8.466 1.00 0.00 N ATOM 0 H LYS A 55 0.863 -9.667 -9.868 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.728 -9.878 -10.873 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.072 -7.682 -9.570 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.709 -7.339 -10.093 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.497 -9.757 -8.403 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.972 -8.291 -7.600 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.272 -8.353 -7.115 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.184 -7.227 -8.455 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.012 -8.878 -10.018 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.819 -10.176 -8.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.127 -9.335 -9.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.551 -9.295 -7.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.632 -7.863 -8.425 1.00 0.00 H new ATOM 842 N GLY A 56 0.036 -7.517 -12.424 1.00 0.00 N ATOM 843 CA GLY A 56 0.017 -6.585 -13.548 1.00 0.00 C ATOM 844 C GLY A 56 -1.118 -5.551 -13.464 1.00 0.00 C ATOM 845 O GLY A 56 -1.684 -5.163 -14.483 1.00 0.00 O ATOM 0 H GLY A 56 0.854 -7.420 -11.822 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.972 -6.062 -13.593 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.082 -7.148 -14.476 1.00 0.00 H new ATOM 849 N ILE A 57 -1.435 -5.069 -12.256 1.00 0.00 N ATOM 850 CA ILE A 57 -2.342 -3.956 -12.015 1.00 0.00 C ATOM 851 C ILE A 57 -1.571 -2.635 -12.023 1.00 0.00 C ATOM 852 O ILE A 57 -0.374 -2.612 -12.291 1.00 0.00 O ATOM 853 CB ILE A 57 -3.090 -4.145 -10.684 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.187 -4.357 -9.460 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.144 -5.248 -10.838 1.00 0.00 C ATOM 856 CD1 ILE A 57 -2.909 -4.098 -8.134 1.00 0.00 C ATOM 0 H ILE A 57 -1.051 -5.460 -11.396 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.081 -3.929 -12.816 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.588 -3.200 -10.467 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.807 -5.379 -9.468 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.324 -3.696 -9.533 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.673 -5.380 -9.894 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.854 -4.967 -11.615 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.655 -6.182 -11.114 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.220 -4.264 -7.306 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.265 -3.068 -8.109 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.756 -4.777 -8.042 1.00 0.00 H new ATOM 868 N THR A 58 -2.246 -1.525 -11.712 1.00 0.00 N ATOM 869 CA THR A 58 -1.704 -0.180 -11.831 1.00 0.00 C ATOM 870 C THR A 58 -1.606 0.540 -10.475 1.00 0.00 C ATOM 871 O THR A 58 -1.493 1.765 -10.456 1.00 0.00 O ATOM 872 CB THR A 58 -2.586 0.597 -12.822 1.00 0.00 C ATOM 873 OG1 THR A 58 -3.314 -0.316 -13.638 1.00 0.00 O ATOM 874 CG2 THR A 58 -1.751 1.527 -13.702 1.00 0.00 C ATOM 0 H THR A 58 -3.204 -1.543 -11.364 1.00 0.00 H new ATOM 0 HA THR A 58 -0.680 -0.237 -12.201 1.00 0.00 H new ATOM 0 HB THR A 58 -3.280 1.210 -12.247 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.341 0.018 -14.559 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.406 2.061 -14.391 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.222 2.244 -13.074 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.029 0.940 -14.269 1.00 0.00 H new ATOM 882 N TRP A 59 -1.725 -0.221 -9.374 1.00 0.00 N ATOM 883 CA TRP A 59 -1.913 0.248 -8.001 1.00 0.00 C ATOM 884 C TRP A 59 -2.640 1.593 -7.928 1.00 0.00 C ATOM 885 O TRP A 59 -2.124 2.569 -7.394 1.00 0.00 O ATOM 886 CB TRP A 59 -0.590 0.230 -7.227 1.00 0.00 C ATOM 887 CG TRP A 59 -0.169 -1.105 -6.702 1.00 0.00 C ATOM 888 CD1 TRP A 59 1.009 -1.708 -6.960 1.00 0.00 C ATOM 889 CD2 TRP A 59 -0.871 -1.984 -5.768 1.00 0.00 C ATOM 890 NE1 TRP A 59 1.067 -2.913 -6.296 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.072 -3.147 -5.560 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.092 -1.916 -5.060 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.478 -4.201 -4.730 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.487 -2.948 -4.189 1.00 0.00 C ATOM 895 CH2 TRP A 59 -1.695 -4.100 -4.042 1.00 0.00 C ATOM 0 H TRP A 59 -1.690 -1.239 -9.428 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.579 -0.457 -7.503 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.197 0.609 -7.879 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -0.670 0.922 -6.388 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.788 -1.307 -7.591 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.859 -3.555 -6.344 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -2.733 -1.057 -5.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.140 -5.080 -4.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.406 -2.854 -3.629 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.023 -4.905 -3.401 1.00 0.00 H new ATOM 906 N LYS A 60 -3.866 1.616 -8.452 1.00 0.00 N ATOM 907 CA LYS A 60 -4.691 2.814 -8.512 1.00 0.00 C ATOM 908 C LYS A 60 -5.581 2.917 -7.268 1.00 0.00 C ATOM 909 O LYS A 60 -5.655 1.977 -6.465 1.00 0.00 O ATOM 910 CB LYS A 60 -5.518 2.785 -9.805 1.00 0.00 C ATOM 911 CG LYS A 60 -6.396 1.529 -9.932 1.00 0.00 C ATOM 912 CD LYS A 60 -5.995 0.586 -11.073 1.00 0.00 C ATOM 913 CE LYS A 60 -6.317 1.211 -12.443 1.00 0.00 C ATOM 914 NZ LYS A 60 -5.954 0.328 -13.571 1.00 0.00 N ATOM 0 H LYS A 60 -4.316 0.792 -8.850 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.058 3.701 -8.524 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.153 3.670 -9.843 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.845 2.839 -10.661 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.358 0.978 -8.992 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.431 1.838 -10.079 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.929 0.366 -11.011 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.522 -0.362 -10.969 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.382 1.439 -12.493 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.784 2.157 -12.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.031 0.856 -14.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.977 -0.006 -13.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.598 -0.488 -13.594 1.00 0.00 H new ATOM 928 N GLU A 61 -6.342 4.013 -7.177 1.00 0.00 N ATOM 929 CA GLU A 61 -7.314 4.336 -6.125 1.00 0.00 C ATOM 930 C GLU A 61 -8.565 3.444 -6.136 1.00 0.00 C ATOM 931 O GLU A 61 -9.652 3.885 -5.769 1.00 0.00 O ATOM 932 CB GLU A 61 -7.701 5.829 -6.207 1.00 0.00 C ATOM 933 CG GLU A 61 -8.132 6.302 -7.604 1.00 0.00 C ATOM 934 CD GLU A 61 -6.971 6.915 -8.377 1.00 0.00 C ATOM 935 OE1 GLU A 61 -6.111 6.124 -8.825 1.00 0.00 O ATOM 936 OE2 GLU A 61 -6.929 8.161 -8.444 1.00 0.00 O ATOM 0 H GLU A 61 -6.292 4.747 -7.883 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.821 4.133 -5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.514 6.019 -5.506 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.852 6.429 -5.880 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.537 5.459 -8.164 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.933 7.035 -7.508 1.00 0.00 H new ATOM 943 N GLU A 62 -8.399 2.179 -6.510 1.00 0.00 N ATOM 944 CA GLU A 62 -9.446 1.184 -6.601 1.00 0.00 C ATOM 945 C GLU A 62 -8.869 -0.096 -5.997 1.00 0.00 C ATOM 946 O GLU A 62 -9.340 -0.619 -4.987 1.00 0.00 O ATOM 947 CB GLU A 62 -9.837 0.984 -8.080 1.00 0.00 C ATOM 948 CG GLU A 62 -9.999 2.297 -8.863 1.00 0.00 C ATOM 949 CD GLU A 62 -10.376 2.020 -10.317 1.00 0.00 C ATOM 950 OE1 GLU A 62 -9.551 1.374 -11.003 1.00 0.00 O ATOM 951 OE2 GLU A 62 -11.480 2.445 -10.714 1.00 0.00 O ATOM 0 H GLU A 62 -7.484 1.809 -6.769 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.349 1.482 -6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.077 0.373 -8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.773 0.427 -8.126 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.767 2.912 -8.395 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.069 2.865 -8.826 1.00 0.00 H new ATOM 958 N THR A 63 -7.769 -0.553 -6.598 1.00 0.00 N ATOM 959 CA THR A 63 -7.076 -1.753 -6.197 1.00 0.00 C ATOM 960 C THR A 63 -6.448 -1.538 -4.825 1.00 0.00 C ATOM 961 O THR A 63 -6.460 -2.451 -4.003 1.00 0.00 O ATOM 962 CB THR A 63 -6.059 -2.131 -7.283 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.270 -1.010 -7.649 1.00 0.00 O ATOM 964 CG2 THR A 63 -6.797 -2.613 -8.538 1.00 0.00 C ATOM 0 H THR A 63 -7.336 -0.081 -7.392 1.00 0.00 H new ATOM 0 HA THR A 63 -7.763 -2.593 -6.098 1.00 0.00 H new ATOM 0 HB THR A 63 -5.419 -2.917 -6.881 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.628 -1.274 -8.341 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.072 -2.880 -9.306 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.403 -3.485 -8.292 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.442 -1.817 -8.909 1.00 0.00 H new ATOM 972 N LEU A 64 -5.944 -0.326 -4.548 1.00 0.00 N ATOM 973 CA LEU A 64 -5.499 -0.014 -3.200 1.00 0.00 C ATOM 974 C LEU A 64 -6.632 -0.186 -2.196 1.00 0.00 C ATOM 975 O LEU A 64 -6.414 -0.771 -1.144 1.00 0.00 O ATOM 976 CB LEU A 64 -4.953 1.413 -3.112 1.00 0.00 C ATOM 977 CG LEU A 64 -3.417 1.453 -3.140 1.00 0.00 C ATOM 978 CD1 LEU A 64 -2.940 1.911 -4.515 1.00 0.00 C ATOM 979 CD2 LEU A 64 -2.922 2.365 -2.014 1.00 0.00 C ATOM 0 H LEU A 64 -5.840 0.430 -5.225 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.699 -0.713 -2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.345 2.001 -3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.310 1.880 -2.194 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.002 0.459 -2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.850 1.938 -4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.297 1.215 -5.274 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.331 2.907 -4.723 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.833 2.400 -2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.319 3.370 -2.159 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.262 1.976 -1.054 1.00 0.00 H new ATOM 991 N MET A 65 -7.826 0.333 -2.485 1.00 0.00 N ATOM 992 CA MET A 65 -8.939 0.258 -1.563 1.00 0.00 C ATOM 993 C MET A 65 -9.260 -1.204 -1.267 1.00 0.00 C ATOM 994 O MET A 65 -9.346 -1.598 -0.105 1.00 0.00 O ATOM 995 CB MET A 65 -10.134 1.027 -2.143 1.00 0.00 C ATOM 996 CG MET A 65 -11.164 1.347 -1.054 1.00 0.00 C ATOM 997 SD MET A 65 -12.856 0.756 -1.325 1.00 0.00 S ATOM 998 CE MET A 65 -12.590 -1.028 -1.353 1.00 0.00 C ATOM 0 H MET A 65 -8.039 0.812 -3.360 1.00 0.00 H new ATOM 0 HA MET A 65 -8.684 0.727 -0.613 1.00 0.00 H new ATOM 0 HB2 MET A 65 -9.787 1.952 -2.603 1.00 0.00 H new ATOM 0 HB3 MET A 65 -10.603 0.437 -2.930 1.00 0.00 H new ATOM 0 HG2 MET A 65 -10.805 0.928 -0.114 1.00 0.00 H new ATOM 0 HG3 MET A 65 -11.199 2.429 -0.928 1.00 0.00 H new ATOM 0 HE1 MET A 65 -13.552 -1.540 -1.333 1.00 0.00 H new ATOM 0 HE2 MET A 65 -12.052 -1.301 -2.261 1.00 0.00 H new ATOM 0 HE3 MET A 65 -12.005 -1.322 -0.482 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.433 -2.002 -2.323 1.00 0.00 N ATOM 1009 CA GLU A 66 -9.839 -3.394 -2.186 1.00 0.00 C ATOM 1010 C GLU A 66 -8.785 -4.191 -1.401 1.00 0.00 C ATOM 1011 O GLU A 66 -9.106 -4.922 -0.462 1.00 0.00 O ATOM 1012 CB GLU A 66 -10.144 -3.954 -3.585 1.00 0.00 C ATOM 1013 CG GLU A 66 -11.096 -5.155 -3.537 1.00 0.00 C ATOM 1014 CD GLU A 66 -11.663 -5.465 -4.918 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -10.857 -5.852 -5.791 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -12.889 -5.292 -5.080 1.00 0.00 O ATOM 0 H GLU A 66 -9.296 -1.701 -3.288 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.753 -3.481 -1.598 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.584 -3.169 -4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.212 -4.251 -4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.566 -6.027 -3.154 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.912 -4.948 -2.844 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.510 -4.000 -1.748 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.382 -4.602 -1.047 1.00 0.00 C ATOM 1025 C TYR A 67 -6.391 -4.216 0.426 1.00 0.00 C ATOM 1026 O TYR A 67 -6.419 -5.082 1.285 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.093 -4.151 -1.728 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.822 -4.793 -1.207 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.615 -6.181 -1.320 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.794 -3.982 -0.706 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.393 -6.754 -0.931 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.578 -4.557 -0.317 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.375 -5.941 -0.417 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.202 -6.494 -0.008 1.00 0.00 O ATOM 0 H TYR A 67 -7.232 -3.414 -2.535 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.456 -5.689 -1.093 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.174 -4.359 -2.795 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.004 -3.070 -1.620 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.402 -6.810 -1.709 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.940 -2.915 -0.620 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.239 -7.819 -1.028 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.788 -3.928 0.064 1.00 0.00 H new ATOM 0 HH TYR A 67 0.062 -6.103 0.851 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.361 -2.925 0.738 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.329 -2.467 2.122 1.00 0.00 C ATOM 1046 C LEU A 68 -7.513 -3.002 2.925 1.00 0.00 C ATOM 1047 O LEU A 68 -7.351 -3.331 4.099 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.267 -0.933 2.219 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.849 -0.345 2.320 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -4.032 -1.022 3.428 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.091 -0.401 0.993 1.00 0.00 C ATOM 0 H LEU A 68 -6.358 -2.174 0.048 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.414 -2.869 2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.759 -0.508 1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.839 -0.616 3.091 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.979 0.706 2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.037 -0.580 3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.531 -0.880 4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.947 -2.088 3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.097 0.027 1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.000 -1.438 0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.635 0.168 0.239 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.694 -3.087 2.307 1.00 0.00 N ATOM 1064 CA GLU A 69 -9.850 -3.686 2.955 1.00 0.00 C ATOM 1065 C GLU A 69 -9.525 -5.142 3.315 1.00 0.00 C ATOM 1066 O GLU A 69 -9.668 -5.547 4.469 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.088 -3.553 2.048 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.410 -3.466 2.828 1.00 0.00 C ATOM 1069 CD GLU A 69 -12.828 -4.786 3.467 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -12.871 -5.789 2.725 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -13.124 -4.755 4.681 1.00 0.00 O ATOM 0 H GLU A 69 -8.869 -2.748 1.361 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.085 -3.164 3.882 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.981 -2.663 1.428 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.128 -4.408 1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.314 -2.709 3.606 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.199 -3.132 2.154 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.057 -5.924 2.334 1.00 0.00 N ATOM 1079 CA ASN A 70 -8.908 -7.366 2.496 1.00 0.00 C ATOM 1080 C ASN A 70 -7.724 -7.906 1.687 1.00 0.00 C ATOM 1081 O ASN A 70 -7.916 -8.532 0.648 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.219 -8.014 2.051 1.00 0.00 C ATOM 1083 CG ASN A 70 -10.492 -9.333 2.759 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -9.578 -10.051 3.166 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -11.772 -9.655 2.926 1.00 0.00 N ATOM 0 H ASN A 70 -8.775 -5.575 1.418 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.698 -7.604 3.539 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.043 -7.326 2.242 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.189 -8.184 0.975 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.022 -10.521 3.404 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.503 -9.036 2.576 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.480 -7.710 2.131 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.332 -7.857 1.250 1.00 0.00 C ATOM 1094 C PRO A 71 -5.109 -9.319 0.887 1.00 0.00 C ATOM 1095 O PRO A 71 -4.951 -9.663 -0.284 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.154 -7.207 1.976 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.592 -7.119 3.439 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.120 -7.155 3.418 1.00 0.00 C ATOM 0 HA PRO A 71 -5.478 -7.362 0.290 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.248 -7.803 1.870 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.936 -6.220 1.569 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.189 -7.950 4.019 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.229 -6.201 3.902 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.509 -7.768 4.231 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.537 -6.156 3.544 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.176 -10.184 1.900 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.088 -11.623 1.746 1.00 0.00 C ATOM 1108 C LYS A 72 -6.204 -12.208 0.864 1.00 0.00 C ATOM 1109 O LYS A 72 -6.108 -13.365 0.460 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.050 -12.251 3.147 1.00 0.00 C ATOM 1111 CG LYS A 72 -6.357 -12.081 3.944 1.00 0.00 C ATOM 1112 CD LYS A 72 -7.008 -13.453 4.174 1.00 0.00 C ATOM 1113 CE LYS A 72 -8.392 -13.364 4.832 1.00 0.00 C ATOM 1114 NZ LYS A 72 -8.344 -12.798 6.196 1.00 0.00 N ATOM 0 H LYS A 72 -5.296 -9.889 2.869 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.171 -11.868 1.210 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.830 -13.314 3.052 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.231 -11.805 3.712 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.151 -11.601 4.901 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.042 -11.429 3.402 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.100 -13.969 3.218 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.353 -14.058 4.801 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.045 -12.750 4.212 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.834 -14.359 4.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.305 -12.762 6.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.744 -13.396 6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.948 -11.837 6.159 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.274 -11.445 0.593 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.339 -11.850 -0.314 1.00 0.00 C ATOM 1130 C LYS A 73 -8.034 -11.310 -1.713 1.00 0.00 C ATOM 1131 O LYS A 73 -7.997 -12.084 -2.666 1.00 0.00 O ATOM 1132 CB LYS A 73 -9.689 -11.350 0.218 1.00 0.00 C ATOM 1133 CG LYS A 73 -10.897 -11.712 -0.653 1.00 0.00 C ATOM 1134 CD LYS A 73 -11.284 -13.190 -0.514 1.00 0.00 C ATOM 1135 CE LYS A 73 -12.398 -13.527 -1.514 1.00 0.00 C ATOM 1136 NZ LYS A 73 -12.881 -14.915 -1.364 1.00 0.00 N ATOM 0 H LYS A 73 -7.418 -10.523 1.005 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.397 -12.937 -0.377 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.844 -11.758 1.217 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.644 -10.266 0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.745 -11.087 -0.374 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.670 -11.493 -1.696 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.415 -13.822 -0.696 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.620 -13.394 0.503 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.230 -12.837 -1.374 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.029 -13.380 -2.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.632 -15.098 -2.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.094 -15.576 -1.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.257 -15.050 -0.404 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.835 -9.990 -1.837 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.515 -9.330 -3.096 1.00 0.00 C ATOM 1152 C TYR A 74 -6.383 -10.041 -3.842 1.00 0.00 C ATOM 1153 O TYR A 74 -6.412 -10.162 -5.070 1.00 0.00 O ATOM 1154 CB TYR A 74 -7.136 -7.874 -2.806 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.901 -7.049 -4.057 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.983 -6.783 -4.910 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.594 -6.751 -4.487 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.754 -6.348 -6.225 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -5.363 -6.363 -5.817 1.00 0.00 C ATOM 1160 CZ TYR A 74 -6.443 -6.215 -6.698 1.00 0.00 C ATOM 1161 OH TYR A 74 -6.216 -6.242 -8.044 1.00 0.00 O ATOM 0 H TYR A 74 -7.894 -9.347 -1.048 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.392 -9.368 -3.743 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.929 -7.411 -2.218 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.234 -7.857 -2.194 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.994 -6.913 -4.554 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.769 -6.821 -3.794 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.588 -6.116 -6.871 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.356 -6.179 -6.160 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.269 -5.332 -8.403 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.368 -10.481 -3.090 1.00 0.00 N ATOM 1172 CA ILE A 75 -4.243 -11.255 -3.594 1.00 0.00 C ATOM 1173 C ILE A 75 -4.120 -12.544 -2.768 1.00 0.00 C ATOM 1174 O ILE A 75 -3.728 -12.481 -1.601 1.00 0.00 O ATOM 1175 CB ILE A 75 -2.978 -10.381 -3.554 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -3.067 -9.362 -4.697 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.706 -11.213 -3.741 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -2.093 -8.194 -4.539 1.00 0.00 C ATOM 0 H ILE A 75 -5.311 -10.300 -2.088 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.391 -11.552 -4.632 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.924 -9.894 -2.581 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.868 -9.867 -5.642 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.084 -8.974 -4.751 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.835 -10.559 -3.707 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.635 -11.954 -2.944 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.741 -11.720 -4.705 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.206 -7.510 -5.380 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.306 -7.666 -3.610 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.071 -8.573 -4.515 1.00 0.00 H new ATOM 1190 N PRO A 76 -4.414 -13.723 -3.346 1.00 0.00 N ATOM 1191 CA PRO A 76 -4.318 -14.995 -2.647 1.00 0.00 C ATOM 1192 C PRO A 76 -2.854 -15.443 -2.577 1.00 0.00 C ATOM 1193 O PRO A 76 -2.463 -16.437 -3.185 1.00 0.00 O ATOM 1194 CB PRO A 76 -5.185 -15.956 -3.466 1.00 0.00 C ATOM 1195 CG PRO A 76 -4.999 -15.443 -4.893 1.00 0.00 C ATOM 1196 CD PRO A 76 -4.900 -13.928 -4.704 1.00 0.00 C ATOM 0 HA PRO A 76 -4.662 -14.947 -1.614 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.854 -16.989 -3.361 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.230 -15.923 -3.157 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.100 -15.852 -5.355 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.838 -15.716 -5.533 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.219 -13.488 -5.433 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.871 -13.453 -4.847 1.00 0.00 H new ATOM 1204 N GLY A 77 -2.038 -14.695 -1.835 1.00 0.00 N ATOM 1205 CA GLY A 77 -0.613 -14.952 -1.716 1.00 0.00 C ATOM 1206 C GLY A 77 0.121 -13.638 -1.491 1.00 0.00 C ATOM 1207 O GLY A 77 0.507 -12.954 -2.432 1.00 0.00 O ATOM 0 H GLY A 77 -2.355 -13.888 -1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.423 -15.634 -0.887 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.243 -15.438 -2.619 1.00 0.00 H new ATOM 1211 N THR A 78 0.278 -13.266 -0.229 1.00 0.00 N ATOM 1212 CA THR A 78 1.001 -12.084 0.179 1.00 0.00 C ATOM 1213 C THR A 78 1.479 -12.254 1.617 1.00 0.00 C ATOM 1214 O THR A 78 0.829 -12.944 2.401 1.00 0.00 O ATOM 1215 CB THR A 78 0.109 -10.854 -0.025 1.00 0.00 C ATOM 1216 OG1 THR A 78 0.910 -9.703 0.018 1.00 0.00 O ATOM 1217 CG2 THR A 78 -1.036 -10.720 0.984 1.00 0.00 C ATOM 0 H THR A 78 -0.106 -13.795 0.554 1.00 0.00 H new ATOM 0 HA THR A 78 1.892 -11.936 -0.432 1.00 0.00 H new ATOM 0 HB THR A 78 -0.370 -10.979 -0.996 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.384 -8.928 -0.269 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.613 -9.822 0.762 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.684 -11.594 0.917 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.627 -10.648 1.992 1.00 0.00 H new ATOM 1225 N LYS A 79 2.614 -11.635 1.954 1.00 0.00 N ATOM 1226 CA LYS A 79 3.205 -11.669 3.291 1.00 0.00 C ATOM 1227 C LYS A 79 3.020 -10.320 3.990 1.00 0.00 C ATOM 1228 O LYS A 79 3.863 -9.898 4.777 1.00 0.00 O ATOM 1229 CB LYS A 79 4.670 -12.127 3.202 1.00 0.00 C ATOM 1230 CG LYS A 79 5.581 -11.168 2.415 1.00 0.00 C ATOM 1231 CD LYS A 79 6.826 -11.874 1.868 1.00 0.00 C ATOM 1232 CE LYS A 79 7.869 -12.119 2.965 1.00 0.00 C ATOM 1233 NZ LYS A 79 8.723 -13.284 2.653 1.00 0.00 N ATOM 0 H LYS A 79 3.158 -11.085 1.289 1.00 0.00 H new ATOM 0 HA LYS A 79 2.689 -12.401 3.913 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.066 -12.241 4.211 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.704 -13.110 2.733 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.020 -10.732 1.589 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.886 -10.346 3.062 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.538 -12.826 1.421 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.267 -11.270 1.075 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.491 -11.232 3.081 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.365 -12.281 3.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.417 -13.420 3.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.131 -14.135 2.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.223 -13.118 1.756 1.00 0.00 H new ATOM 1247 N MET A 80 1.909 -9.643 3.691 1.00 0.00 N ATOM 1248 CA MET A 80 1.600 -8.328 4.221 1.00 0.00 C ATOM 1249 C MET A 80 1.213 -8.364 5.704 1.00 0.00 C ATOM 1250 O MET A 80 1.438 -7.407 6.434 1.00 0.00 O ATOM 1251 CB MET A 80 0.570 -7.656 3.310 1.00 0.00 C ATOM 1252 CG MET A 80 0.035 -6.340 3.874 1.00 0.00 C ATOM 1253 SD MET A 80 0.087 -4.918 2.762 1.00 0.00 S ATOM 1254 CE MET A 80 -1.580 -4.227 2.941 1.00 0.00 C ATOM 0 H MET A 80 1.192 -10.006 3.063 1.00 0.00 H new ATOM 0 HA MET A 80 2.498 -7.710 4.212 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.023 -7.469 2.336 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.263 -8.340 3.148 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.998 -6.495 4.184 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.604 -6.095 4.771 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.667 -3.325 2.335 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.315 -4.960 2.609 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.761 -3.980 3.987 1.00 0.00 H new ATOM 1264 N ILE A 81 0.645 -9.482 6.150 1.00 0.00 N ATOM 1265 CA ILE A 81 0.190 -9.700 7.516 1.00 0.00 C ATOM 1266 C ILE A 81 -0.738 -8.560 7.950 1.00 0.00 C ATOM 1267 O ILE A 81 -0.387 -7.709 8.764 1.00 0.00 O ATOM 1268 CB ILE A 81 1.396 -9.914 8.451 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.352 -11.015 7.952 1.00 0.00 C ATOM 1270 CG2 ILE A 81 0.976 -10.202 9.902 1.00 0.00 C ATOM 1271 CD1 ILE A 81 1.796 -12.436 8.097 1.00 0.00 C ATOM 0 H ILE A 81 0.484 -10.288 5.546 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.402 -10.613 7.574 1.00 0.00 H new ATOM 0 HB ILE A 81 1.936 -8.967 8.435 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.584 -10.832 6.903 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.290 -10.945 8.503 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.865 -10.345 10.517 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.399 -9.361 10.288 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.366 -11.105 9.932 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.528 -13.153 7.724 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.590 -12.641 9.148 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.874 -12.526 7.523 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.944 -8.541 7.379 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.920 -7.498 7.626 1.00 0.00 C ATOM 1285 C PHE A 82 -4.303 -8.104 7.386 1.00 0.00 C ATOM 1286 O PHE A 82 -4.484 -8.835 6.412 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.616 -6.316 6.697 1.00 0.00 C ATOM 1288 CG PHE A 82 -2.899 -4.960 7.301 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -4.223 -4.549 7.522 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -1.829 -4.159 7.748 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -4.475 -3.359 8.223 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -2.084 -2.967 8.445 1.00 0.00 C ATOM 1293 CZ PHE A 82 -3.409 -2.564 8.679 1.00 0.00 C ATOM 0 H PHE A 82 -2.265 -9.258 6.729 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.884 -7.120 8.648 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.567 -6.359 6.406 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.204 -6.425 5.786 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.044 -5.146 7.154 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.811 -4.463 7.554 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.493 -3.053 8.413 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.263 -2.362 8.800 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.609 -1.644 9.209 1.00 0.00 H new ATOM 1303 N ALA A 83 -5.257 -7.867 8.290 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.560 -8.519 8.267 1.00 0.00 C ATOM 1305 C ALA A 83 -7.556 -7.679 9.064 1.00 0.00 C ATOM 1306 O ALA A 83 -7.810 -7.956 10.233 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.440 -9.939 8.835 1.00 0.00 C ATOM 0 H ALA A 83 -5.142 -7.211 9.063 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.922 -8.600 7.242 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.417 -10.422 8.816 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.738 -10.514 8.231 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.079 -9.891 9.862 1.00 0.00 H new ATOM 1313 N GLY A 84 -8.109 -6.647 8.424 1.00 0.00 N ATOM 1314 CA GLY A 84 -8.938 -5.657 9.089 1.00 0.00 C ATOM 1315 C GLY A 84 -8.052 -4.530 9.611 1.00 0.00 C ATOM 1316 O GLY A 84 -6.922 -4.773 10.031 1.00 0.00 O ATOM 0 H GLY A 84 -7.990 -6.479 7.425 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.680 -5.261 8.395 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.485 -6.117 9.912 1.00 0.00 H new ATOM 1320 N ILE A 85 -8.549 -3.292 9.533 1.00 0.00 N ATOM 1321 CA ILE A 85 -7.798 -2.095 9.892 1.00 0.00 C ATOM 1322 C ILE A 85 -8.452 -1.381 11.075 1.00 0.00 C ATOM 1323 O ILE A 85 -7.784 -1.087 12.062 1.00 0.00 O ATOM 1324 CB ILE A 85 -7.597 -1.212 8.644 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -6.551 -0.136 8.956 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -8.893 -0.591 8.105 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -5.991 0.531 7.696 1.00 0.00 C ATOM 0 H ILE A 85 -9.498 -3.095 9.214 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.800 -2.364 10.238 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.243 -1.859 7.842 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -6.999 0.625 9.596 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.732 -0.584 9.519 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.668 0.015 7.228 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.589 -1.383 7.830 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -9.343 0.037 8.874 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.255 1.284 7.979 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.516 -0.222 7.066 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.802 1.006 7.145 1.00 0.00 H new ATOM 1339 N LYS A 86 -9.765 -1.144 10.983 1.00 0.00 N ATOM 1340 CA LYS A 86 -10.581 -0.589 12.046 1.00 0.00 C ATOM 1341 C LYS A 86 -12.050 -0.855 11.714 1.00 0.00 C ATOM 1342 O LYS A 86 -12.741 -1.550 12.453 1.00 0.00 O ATOM 1343 CB LYS A 86 -10.274 0.907 12.244 1.00 0.00 C ATOM 1344 CG LYS A 86 -11.434 1.664 12.902 1.00 0.00 C ATOM 1345 CD LYS A 86 -10.985 2.956 13.594 1.00 0.00 C ATOM 1346 CE LYS A 86 -12.118 3.596 14.411 1.00 0.00 C ATOM 1347 NZ LYS A 86 -12.414 2.841 15.648 1.00 0.00 N ATOM 0 H LYS A 86 -10.297 -1.343 10.136 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.351 -1.069 12.997 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.380 1.013 12.859 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.051 1.360 11.278 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.181 1.904 12.145 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.917 1.015 13.633 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.142 2.741 14.250 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.633 3.665 12.845 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.844 4.619 14.669 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.018 3.652 13.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.137 3.347 16.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.766 1.894 15.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.547 2.750 16.215 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.528 -0.271 10.612 1.00 0.00 N ATOM 1362 CA LYS A 87 -13.895 -0.442 10.140 1.00 0.00 C ATOM 1363 C LYS A 87 -13.983 0.058 8.701 1.00 0.00 C ATOM 1364 O LYS A 87 -14.267 -0.713 7.792 1.00 0.00 O ATOM 1365 CB LYS A 87 -14.892 0.306 11.051 1.00 0.00 C ATOM 1366 CG LYS A 87 -16.360 0.092 10.642 1.00 0.00 C ATOM 1367 CD LYS A 87 -16.884 -1.277 11.102 1.00 0.00 C ATOM 1368 CE LYS A 87 -18.291 -1.561 10.542 1.00 0.00 C ATOM 1369 NZ LYS A 87 -19.288 -1.821 11.603 1.00 0.00 N ATOM 0 H LYS A 87 -11.966 0.340 10.019 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.162 -1.498 10.173 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.755 -0.027 12.080 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.666 1.372 11.028 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.977 0.881 11.073 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.451 0.171 9.559 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.197 -2.058 10.777 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.911 -1.310 12.191 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.617 -0.710 9.943 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.245 -2.421 9.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.215 -2.006 11.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.995 -2.649 12.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -19.356 -0.991 12.226 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.763 1.362 8.511 1.00 0.00 N ATOM 1384 CA LYS A 88 -13.827 1.992 7.200 1.00 0.00 C ATOM 1385 C LYS A 88 -13.062 3.315 7.183 1.00 0.00 C ATOM 1386 O LYS A 88 -12.319 3.557 6.242 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.278 2.120 6.707 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.181 3.035 7.545 1.00 0.00 C ATOM 1389 CD LYS A 88 -17.631 2.854 7.068 1.00 0.00 C ATOM 1390 CE LYS A 88 -18.492 4.083 7.395 1.00 0.00 C ATOM 1391 NZ LYS A 88 -19.874 3.941 6.888 1.00 0.00 N ATOM 0 H LYS A 88 -13.535 2.007 9.267 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.324 1.342 6.484 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -15.264 2.492 5.682 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -15.723 1.125 6.679 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -16.096 2.786 8.603 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.873 4.075 7.436 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -17.641 2.678 5.992 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -18.062 1.971 7.540 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -18.515 4.233 8.474 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -18.035 4.972 6.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -20.422 4.792 7.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -19.854 3.824 5.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -20.319 3.108 7.323 1.00 0.00 H new ATOM 1405 N THR A 89 -13.204 4.145 8.225 1.00 0.00 N ATOM 1406 CA THR A 89 -12.506 5.417 8.372 1.00 0.00 C ATOM 1407 C THR A 89 -11.038 5.317 7.957 1.00 0.00 C ATOM 1408 O THR A 89 -10.596 6.032 7.060 1.00 0.00 O ATOM 1409 CB THR A 89 -12.645 5.873 9.830 1.00 0.00 C ATOM 1410 OG1 THR A 89 -14.002 5.726 10.206 1.00 0.00 O ATOM 1411 CG2 THR A 89 -12.179 7.320 10.020 1.00 0.00 C ATOM 0 H THR A 89 -13.826 3.939 9.007 1.00 0.00 H new ATOM 0 HA THR A 89 -12.956 6.154 7.707 1.00 0.00 H new ATOM 0 HB THR A 89 -12.007 5.258 10.465 1.00 0.00 H new ATOM 0 HG1 THR A 89 -14.116 6.010 11.137 1.00 0.00 H new ATOM 0 HG21 THR A 89 -12.294 7.605 11.066 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.131 7.405 9.733 1.00 0.00 H new ATOM 0 HG23 THR A 89 -12.781 7.981 9.396 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.306 4.393 8.584 1.00 0.00 N ATOM 1420 CA GLU A 90 -8.913 4.151 8.260 1.00 0.00 C ATOM 1421 C GLU A 90 -8.757 3.827 6.774 1.00 0.00 C ATOM 1422 O GLU A 90 -8.072 4.532 6.044 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.346 3.070 9.186 1.00 0.00 C ATOM 1424 CG GLU A 90 -7.558 3.737 10.319 1.00 0.00 C ATOM 1425 CD GLU A 90 -7.528 2.939 11.609 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -6.739 1.973 11.660 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -8.283 3.316 12.527 1.00 0.00 O ATOM 0 H GLU A 90 -10.669 3.797 9.328 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.326 5.053 8.433 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.155 2.466 9.597 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.698 2.397 8.624 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.534 3.905 9.985 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.992 4.716 10.521 1.00 0.00 H new ATOM 1434 N ARG A 91 -9.507 2.835 6.291 1.00 0.00 N ATOM 1435 CA ARG A 91 -9.600 2.454 4.880 1.00 0.00 C ATOM 1436 C ARG A 91 -10.144 3.581 3.976 1.00 0.00 C ATOM 1437 O ARG A 91 -10.403 3.339 2.800 1.00 0.00 O ATOM 1438 CB ARG A 91 -10.475 1.191 4.769 1.00 0.00 C ATOM 1439 CG ARG A 91 -10.341 0.431 3.437 1.00 0.00 C ATOM 1440 CD ARG A 91 -11.709 0.212 2.778 1.00 0.00 C ATOM 1441 NE ARG A 91 -12.321 1.482 2.351 1.00 0.00 N ATOM 1442 CZ ARG A 91 -13.571 1.612 1.883 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -14.346 0.526 1.771 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -14.047 2.811 1.536 1.00 0.00 N ATOM 0 H ARG A 91 -10.088 2.253 6.894 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.591 2.253 4.520 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.219 0.515 5.585 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.518 1.475 4.906 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.695 0.990 2.760 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.861 -0.532 3.612 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.596 -0.445 1.916 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.373 -0.294 3.479 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.751 2.326 2.416 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.984 -0.389 2.040 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -15.298 0.613 1.416 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.458 3.639 1.626 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -14.999 2.898 1.181 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.341 4.793 4.498 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.778 5.967 3.771 1.00 0.00 C ATOM 1460 C GLU A 92 -9.801 7.146 3.924 1.00 0.00 C ATOM 1461 O GLU A 92 -9.911 8.139 3.202 1.00 0.00 O ATOM 1462 CB GLU A 92 -12.180 6.331 4.281 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.940 7.061 3.178 1.00 0.00 C ATOM 1464 CD GLU A 92 -13.674 6.058 2.293 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -12.988 5.218 1.671 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -14.921 6.082 2.314 1.00 0.00 O ATOM 0 H GLU A 92 -10.190 4.983 5.489 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.805 5.747 2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.718 5.430 4.575 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.106 6.962 5.167 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.652 7.759 3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.247 7.649 2.576 1.00 0.00 H new ATOM 1473 N ASP A 93 -8.898 7.097 4.900 1.00 0.00 N ATOM 1474 CA ASP A 93 -7.818 8.062 5.090 1.00 0.00 C ATOM 1475 C ASP A 93 -6.524 7.532 4.499 1.00 0.00 C ATOM 1476 O ASP A 93 -5.833 8.236 3.768 1.00 0.00 O ATOM 1477 CB ASP A 93 -7.664 8.493 6.552 1.00 0.00 C ATOM 1478 CG ASP A 93 -7.357 7.450 7.613 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -6.498 6.589 7.351 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -7.967 7.572 8.697 1.00 0.00 O ATOM 0 H ASP A 93 -8.898 6.359 5.604 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.084 8.970 4.548 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.871 9.240 6.590 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.588 8.993 6.844 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.232 6.265 4.756 1.00 0.00 N ATOM 1486 CA LEU A 94 -5.111 5.551 4.166 1.00 0.00 C ATOM 1487 C LEU A 94 -4.989 5.813 2.666 1.00 0.00 C ATOM 1488 O LEU A 94 -3.938 6.216 2.163 1.00 0.00 O ATOM 1489 CB LEU A 94 -5.300 4.048 4.420 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.438 3.528 5.570 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -3.000 3.531 5.088 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.498 4.306 6.883 1.00 0.00 C ATOM 0 H LEU A 94 -6.782 5.692 5.396 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.192 5.908 4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.349 3.851 4.640 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.056 3.497 3.512 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.837 2.543 5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.349 3.165 5.882 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.907 2.884 4.216 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.709 4.546 4.819 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.842 3.835 7.615 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.173 5.333 6.713 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.521 4.307 7.259 1.00 0.00 H new ATOM 1504 N ILE A 95 -6.094 5.598 1.954 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.121 5.662 0.495 1.00 0.00 C ATOM 1506 C ILE A 95 -6.370 7.110 0.041 1.00 0.00 C ATOM 1507 O ILE A 95 -6.530 7.376 -1.147 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.121 4.613 -0.046 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -6.747 3.206 0.474 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.168 4.533 -1.579 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -7.832 2.660 1.391 1.00 0.00 C ATOM 0 H ILE A 95 -6.996 5.374 2.374 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.157 5.394 0.063 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.099 4.937 0.310 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.602 2.529 -0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.800 3.252 1.012 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.891 3.776 -1.882 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.464 5.500 -1.985 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.182 4.266 -1.960 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.546 1.669 1.744 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.957 3.327 2.244 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -8.772 2.592 0.843 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.346 8.068 0.976 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.407 9.487 0.688 1.00 0.00 C ATOM 1525 C ALA A 96 -4.978 10.030 0.770 1.00 0.00 C ATOM 1526 O ALA A 96 -4.551 10.778 -0.106 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.380 10.170 1.659 1.00 0.00 C ATOM 0 H ALA A 96 -6.282 7.862 1.973 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.793 9.690 -0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.424 11.237 1.440 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.373 9.735 1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.035 10.024 2.683 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.208 9.602 1.780 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.800 9.948 1.883 1.00 0.00 C ATOM 1535 C TYR A 97 -2.017 9.475 0.673 1.00 0.00 C ATOM 1536 O TYR A 97 -1.393 10.291 0.003 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.155 9.395 3.156 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.626 9.409 3.161 1.00 0.00 C ATOM 1539 CD1 TYR A 97 0.093 10.465 2.566 1.00 0.00 C ATOM 1540 CD2 TYR A 97 0.085 8.355 3.759 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.499 10.483 2.601 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.491 8.363 3.776 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.205 9.410 3.167 1.00 0.00 C ATOM 1544 OH TYR A 97 3.571 9.424 3.125 1.00 0.00 O ATOM 0 H TYR A 97 -4.548 9.011 2.539 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.763 11.036 1.927 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.512 9.974 4.008 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.495 8.370 3.302 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.440 11.268 2.079 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.452 7.533 4.209 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.037 11.325 2.191 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.026 7.559 4.260 1.00 0.00 H new ATOM 0 HH TYR A 97 3.915 8.542 3.379 1.00 0.00 H new ATOM 1554 N LEU A 98 -1.973 8.167 0.423 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.041 7.647 -0.576 1.00 0.00 C ATOM 1556 C LEU A 98 -1.316 8.230 -1.963 1.00 0.00 C ATOM 1557 O LEU A 98 -0.412 8.358 -2.793 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.043 6.122 -0.583 1.00 0.00 C ATOM 1559 CG LEU A 98 -0.680 5.529 0.783 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -0.852 4.014 0.692 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.758 5.855 1.208 1.00 0.00 C ATOM 0 H LEU A 98 -2.553 7.466 0.883 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.038 7.969 -0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.029 5.764 -0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.335 5.764 -1.331 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.336 5.967 1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.601 3.561 1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.886 3.780 0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.192 3.619 -0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.959 5.410 2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.455 5.451 0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.883 6.936 1.270 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.563 8.655 -2.160 1.00 0.00 N ATOM 1574 CA LYS A 99 -3.068 9.248 -3.384 1.00 0.00 C ATOM 1575 C LYS A 99 -2.456 10.633 -3.650 1.00 0.00 C ATOM 1576 O LYS A 99 -2.602 11.162 -4.749 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.594 9.278 -3.256 1.00 0.00 C ATOM 1578 CG LYS A 99 -5.331 9.446 -4.582 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.823 9.182 -4.329 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.685 9.634 -5.513 1.00 0.00 C ATOM 1581 NZ LYS A 99 -7.977 11.079 -5.466 1.00 0.00 N ATOM 0 H LYS A 99 -3.276 8.590 -1.434 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.780 8.658 -4.254 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.926 8.353 -2.784 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.875 10.095 -2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.183 10.451 -4.976 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.941 8.751 -5.326 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.979 8.118 -4.149 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.138 9.707 -3.427 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.172 9.398 -6.445 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.621 9.075 -5.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.562 11.342 -6.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.489 11.301 -4.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.086 11.614 -5.491 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.762 11.209 -2.660 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.910 12.376 -2.780 1.00 0.00 C ATOM 1597 C LYS A 100 0.556 11.990 -2.538 1.00 0.00 C ATOM 1598 O LYS A 100 1.409 12.590 -3.172 1.00 0.00 O ATOM 1599 CB LYS A 100 -1.420 13.538 -1.900 1.00 0.00 C ATOM 1600 CG LYS A 100 -0.523 13.889 -0.704 1.00 0.00 C ATOM 1601 CD LYS A 100 -0.895 15.230 -0.066 1.00 0.00 C ATOM 1602 CE LYS A 100 -0.453 16.434 -0.921 1.00 0.00 C ATOM 1603 NZ LYS A 100 -1.590 17.175 -1.495 1.00 0.00 N ATOM 0 H LYS A 100 -1.788 10.846 -1.707 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.957 12.758 -3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.531 14.425 -2.524 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.413 13.284 -1.528 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -0.597 13.101 0.045 1.00 0.00 H new ATOM 0 HG3 LYS A 100 0.516 13.922 -1.031 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.974 15.271 0.083 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.435 15.300 0.919 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.143 17.110 -0.308 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.191 16.084 -1.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.235 17.973 -2.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.146 16.541 -2.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.193 17.535 -0.728 1.00 0.00 H new ATOM 1617 N ALA A 101 0.868 11.017 -1.661 1.00 0.00 N ATOM 1618 CA ALA A 101 2.233 10.534 -1.415 1.00 0.00 C ATOM 1619 C ALA A 101 2.952 10.224 -2.719 1.00 0.00 C ATOM 1620 O ALA A 101 4.100 10.616 -2.919 1.00 0.00 O ATOM 1621 CB ALA A 101 2.229 9.281 -0.538 1.00 0.00 C ATOM 0 H ALA A 101 0.165 10.539 -1.097 1.00 0.00 H new ATOM 0 HA ALA A 101 2.762 11.333 -0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.254 8.948 -0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.764 9.510 0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.666 8.491 -1.035 1.00 0.00 H new ATOM 1627 N THR A 102 2.230 9.531 -3.605 1.00 0.00 N ATOM 1628 CA THR A 102 2.621 9.248 -4.978 1.00 0.00 C ATOM 1629 C THR A 102 3.336 10.437 -5.640 1.00 0.00 C ATOM 1630 O THR A 102 4.283 10.253 -6.401 1.00 0.00 O ATOM 1631 CB THR A 102 1.359 8.814 -5.742 1.00 0.00 C ATOM 1632 OG1 THR A 102 1.680 8.359 -7.034 1.00 0.00 O ATOM 1633 CG2 THR A 102 0.294 9.909 -5.854 1.00 0.00 C ATOM 0 H THR A 102 1.319 9.138 -3.369 1.00 0.00 H new ATOM 0 HA THR A 102 3.355 8.442 -4.997 1.00 0.00 H new ATOM 0 HB THR A 102 0.934 8.005 -5.148 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.923 7.410 -6.996 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.565 9.526 -6.406 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.022 10.213 -4.856 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.710 10.768 -6.380 1.00 0.00 H new ATOM 1641 N ASN A 103 2.874 11.652 -5.331 1.00 0.00 N ATOM 1642 CA ASN A 103 3.390 12.920 -5.825 1.00 0.00 C ATOM 1643 C ASN A 103 3.644 13.912 -4.673 1.00 0.00 C ATOM 1644 O ASN A 103 3.262 15.077 -4.781 1.00 0.00 O ATOM 1645 CB ASN A 103 2.357 13.458 -6.828 1.00 0.00 C ATOM 1646 CG ASN A 103 2.823 14.701 -7.581 1.00 0.00 C ATOM 1647 OD1 ASN A 103 4.008 14.892 -7.828 1.00 0.00 O ATOM 1648 ND2 ASN A 103 1.879 15.543 -7.995 1.00 0.00 N ATOM 0 H ASN A 103 2.087 11.778 -4.694 1.00 0.00 H new ATOM 0 HA ASN A 103 4.356 12.783 -6.312 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.121 12.675 -7.548 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.434 13.691 -6.296 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.135 16.372 -8.532 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.900 15.360 -7.775 1.00 0.00 H new ATOM 1655 N GLU A 104 4.271 13.462 -3.577 1.00 0.00 N ATOM 1656 CA GLU A 104 4.783 14.342 -2.524 1.00 0.00 C ATOM 1657 C GLU A 104 6.225 14.760 -2.839 1.00 0.00 C ATOM 1658 O GLU A 104 6.765 15.616 -2.104 1.00 0.00 O ATOM 1659 CB GLU A 104 4.734 13.642 -1.150 1.00 0.00 C ATOM 1660 CG GLU A 104 3.376 13.751 -0.448 1.00 0.00 C ATOM 1661 CD GLU A 104 3.105 15.116 0.173 1.00 0.00 C ATOM 1662 OE1 GLU A 104 3.656 15.361 1.266 1.00 0.00 O ATOM 1663 OE2 GLU A 104 2.293 15.862 -0.416 1.00 0.00 O ATOM 1664 OXT GLU A 104 6.864 14.177 -3.748 1.00 0.00 O ATOM 0 H GLU A 104 4.437 12.472 -3.398 1.00 0.00 H new ATOM 0 HA GLU A 104 4.150 15.228 -2.486 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.981 12.589 -1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.501 14.072 -0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.588 13.528 -1.167 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.320 12.991 0.332 1.00 0.00 H new