USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 561 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 32 HIS : no HE2:sc= 0.71 K(o=1.6,f=-3.3!) USER MOD Set 1.2: A 49 TYR OH : rot 22:sc= 0.864 USER MOD Single : A 1 MET CE :methyl -137:sc= 0 (180deg=-0.732) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.0354 X(o=-0.035,f=-0.0068) USER MOD Single : A 4 HIS : no HD1:sc= -0.365 K(o=-0.37,f=-5.5!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 30:sc= 0.216 USER MOD Single : A 24 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.58) USER MOD Single : A 26 LYS NZ :NH3+ -164:sc= -0.0219 (180deg=-0.272) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -124:sc= 0.526 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.999 K(o=-1,f=-0.017) USER MOD Single : A 38 LYS NZ :NH3+ 144:sc= 1.26 (180deg=1.04) USER MOD Single : A 40 SER OG : rot 176:sc= 1.27 USER MOD Single : A 41 SER OG : rot -30:sc= -0.228 USER MOD Single : A 43 TYR OH : rot 120:sc=0.000138 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -170:sc= -0.476 USER MOD Single : A 48 GLN : amide:sc= -0.426 K(o=-0.43,f=-1.1) USER MOD Single : A 51 SER OG : rot -83:sc= 1.02 USER MOD Single : A 63 THR OG1 : rot 9:sc= 1.18 USER MOD Single : A 67 SER OG : rot -97:sc= 0.57 USER MOD Single : A 70 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0468) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.786 10.403 12.747 1.00 0.00 N ATOM 2 CA MET A 1 14.285 9.548 11.653 1.00 0.00 C ATOM 3 C MET A 1 14.190 8.099 12.107 1.00 0.00 C ATOM 4 O MET A 1 15.154 7.537 12.630 1.00 0.00 O ATOM 5 CB MET A 1 15.208 9.653 10.435 1.00 0.00 C ATOM 6 CG MET A 1 14.857 8.686 9.313 1.00 0.00 C ATOM 7 SD MET A 1 13.170 8.894 8.709 1.00 0.00 S ATOM 8 CE MET A 1 13.115 7.650 7.422 1.00 0.00 C ATOM 0 H1 MET A 1 14.844 11.388 12.419 1.00 0.00 H new ATOM 0 H2 MET A 1 14.137 10.346 13.557 1.00 0.00 H new ATOM 0 H3 MET A 1 15.731 10.078 13.037 1.00 0.00 H new ATOM 0 HA MET A 1 13.289 9.893 11.376 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.170 10.672 10.049 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.235 9.470 10.752 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.553 8.828 8.487 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.987 7.663 9.667 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.618 8.058 6.542 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.130 7.353 7.160 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.563 6.781 7.780 1.00 0.00 H new ATOM 20 N THR A 2 13.025 7.503 11.918 1.00 0.00 N ATOM 21 CA THR A 2 12.832 6.101 12.228 1.00 0.00 C ATOM 22 C THR A 2 12.279 5.361 11.017 1.00 0.00 C ATOM 23 O THR A 2 11.148 5.602 10.587 1.00 0.00 O ATOM 24 CB THR A 2 11.881 5.909 13.420 1.00 0.00 C ATOM 25 OG1 THR A 2 12.321 6.705 14.532 1.00 0.00 O ATOM 26 CG2 THR A 2 11.823 4.445 13.837 1.00 0.00 C ATOM 0 H THR A 2 12.197 7.972 11.550 1.00 0.00 H new ATOM 0 HA THR A 2 13.806 5.691 12.496 1.00 0.00 H new ATOM 0 HB THR A 2 10.884 6.226 13.114 1.00 0.00 H new ATOM 0 HG1 THR A 2 11.709 6.579 15.287 1.00 0.00 H new ATOM 0 HG21 THR A 2 11.144 4.334 14.682 1.00 0.00 H new ATOM 0 HG22 THR A 2 11.465 3.843 13.002 1.00 0.00 H new ATOM 0 HG23 THR A 2 12.819 4.109 14.126 1.00 0.00 H new ATOM 34 N HIS A 3 13.085 4.477 10.461 1.00 0.00 N ATOM 35 CA HIS A 3 12.668 3.693 9.308 1.00 0.00 C ATOM 36 C HIS A 3 11.942 2.436 9.773 1.00 0.00 C ATOM 37 O HIS A 3 12.397 1.741 10.684 1.00 0.00 O ATOM 38 CB HIS A 3 13.865 3.336 8.404 1.00 0.00 C ATOM 39 CG HIS A 3 14.820 2.317 8.967 1.00 0.00 C ATOM 40 ND1 HIS A 3 14.951 1.048 8.449 1.00 0.00 N ATOM 41 CD2 HIS A 3 15.706 2.391 9.990 1.00 0.00 C ATOM 42 CE1 HIS A 3 15.873 0.390 9.123 1.00 0.00 C ATOM 43 NE2 HIS A 3 16.351 1.181 10.062 1.00 0.00 N ATOM 0 H HIS A 3 14.032 4.282 10.786 1.00 0.00 H new ATOM 0 HA HIS A 3 11.984 4.297 8.712 1.00 0.00 H new ATOM 0 HB2 HIS A 3 13.482 2.964 7.454 1.00 0.00 H new ATOM 0 HB3 HIS A 3 14.420 4.249 8.188 1.00 0.00 H new ATOM 0 HD2 HIS A 3 15.874 3.244 10.630 1.00 0.00 H new ATOM 0 HE1 HIS A 3 16.184 -0.627 8.937 1.00 0.00 H new ATOM 0 HE2 HIS A 3 17.080 0.935 10.732 1.00 0.00 H new ATOM 52 N HIS A 4 10.797 2.163 9.177 1.00 0.00 N ATOM 53 CA HIS A 4 10.043 0.980 9.543 1.00 0.00 C ATOM 54 C HIS A 4 10.130 -0.071 8.457 1.00 0.00 C ATOM 55 O HIS A 4 9.734 0.171 7.318 1.00 0.00 O ATOM 56 CB HIS A 4 8.571 1.305 9.807 1.00 0.00 C ATOM 57 CG HIS A 4 7.784 0.120 10.267 1.00 0.00 C ATOM 58 ND1 HIS A 4 8.122 -0.636 11.368 1.00 0.00 N ATOM 59 CD2 HIS A 4 6.681 -0.445 9.749 1.00 0.00 C ATOM 60 CE1 HIS A 4 7.252 -1.620 11.503 1.00 0.00 C ATOM 61 NE2 HIS A 4 6.365 -1.529 10.532 1.00 0.00 N ATOM 0 H HIS A 4 10.373 2.736 8.447 1.00 0.00 H new ATOM 0 HA HIS A 4 10.486 0.595 10.462 1.00 0.00 H new ATOM 0 HB2 HIS A 4 8.508 2.091 10.560 1.00 0.00 H new ATOM 0 HB3 HIS A 4 8.123 1.700 8.895 1.00 0.00 H new ATOM 0 HD2 HIS A 4 6.141 -0.109 8.876 1.00 0.00 H new ATOM 0 HE1 HIS A 4 7.265 -2.372 12.278 1.00 0.00 H new ATOM 0 HE2 HIS A 4 5.576 -2.158 10.386 1.00 0.00 H new ATOM 70 N THR A 5 10.644 -1.228 8.817 1.00 0.00 N ATOM 71 CA THR A 5 10.611 -2.370 7.936 1.00 0.00 C ATOM 72 C THR A 5 9.394 -3.218 8.271 1.00 0.00 C ATOM 73 O THR A 5 9.054 -3.389 9.442 1.00 0.00 O ATOM 74 CB THR A 5 11.875 -3.227 8.077 1.00 0.00 C ATOM 75 OG1 THR A 5 13.014 -2.390 8.311 1.00 0.00 O ATOM 76 CG2 THR A 5 12.108 -4.056 6.822 1.00 0.00 C ATOM 0 H THR A 5 11.091 -1.400 9.718 1.00 0.00 H new ATOM 0 HA THR A 5 10.559 -2.008 6.909 1.00 0.00 H new ATOM 0 HB THR A 5 11.736 -3.899 8.923 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.816 -2.946 8.401 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.010 -4.656 6.944 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.254 -4.713 6.657 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.227 -3.393 5.965 1.00 0.00 H new ATOM 84 N GLU A 6 8.735 -3.720 7.252 1.00 0.00 N ATOM 85 CA GLU A 6 7.553 -4.546 7.435 1.00 0.00 C ATOM 86 C GLU A 6 7.541 -5.633 6.373 1.00 0.00 C ATOM 87 O GLU A 6 7.842 -5.368 5.211 1.00 0.00 O ATOM 88 CB GLU A 6 6.293 -3.675 7.324 1.00 0.00 C ATOM 89 CG GLU A 6 4.985 -4.390 7.640 1.00 0.00 C ATOM 90 CD GLU A 6 4.732 -4.546 9.127 1.00 0.00 C ATOM 91 OE1 GLU A 6 4.861 -3.544 9.860 1.00 0.00 O ATOM 92 OE2 GLU A 6 4.369 -5.658 9.565 1.00 0.00 O ATOM 0 H GLU A 6 8.997 -3.572 6.277 1.00 0.00 H new ATOM 0 HA GLU A 6 7.570 -5.008 8.422 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.397 -2.825 7.998 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.235 -3.274 6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.159 -3.836 7.194 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.996 -5.376 7.175 1.00 0.00 H new ATOM 99 N VAL A 7 7.223 -6.853 6.761 1.00 0.00 N ATOM 100 CA VAL A 7 7.162 -7.952 5.813 1.00 0.00 C ATOM 101 C VAL A 7 5.784 -8.588 5.850 1.00 0.00 C ATOM 102 O VAL A 7 5.360 -9.122 6.876 1.00 0.00 O ATOM 103 CB VAL A 7 8.236 -9.024 6.092 1.00 0.00 C ATOM 104 CG1 VAL A 7 8.130 -10.160 5.084 1.00 0.00 C ATOM 105 CG2 VAL A 7 9.626 -8.412 6.056 1.00 0.00 C ATOM 0 H VAL A 7 7.003 -7.109 7.723 1.00 0.00 H new ATOM 0 HA VAL A 7 7.358 -7.540 4.823 1.00 0.00 H new ATOM 0 HB VAL A 7 8.064 -9.429 7.089 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.895 -10.907 5.296 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.144 -10.620 5.156 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.275 -9.768 4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.369 -9.184 6.255 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.808 -7.979 5.072 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.700 -7.633 6.815 1.00 0.00 H new ATOM 115 N PHE A 8 5.080 -8.506 4.736 1.00 0.00 N ATOM 116 CA PHE A 8 3.737 -9.037 4.648 1.00 0.00 C ATOM 117 C PHE A 8 3.624 -9.967 3.452 1.00 0.00 C ATOM 118 O PHE A 8 3.765 -9.528 2.316 1.00 0.00 O ATOM 119 CB PHE A 8 2.729 -7.897 4.513 1.00 0.00 C ATOM 120 CG PHE A 8 1.313 -8.318 4.749 1.00 0.00 C ATOM 121 CD1 PHE A 8 0.873 -8.612 6.028 1.00 0.00 C ATOM 122 CD2 PHE A 8 0.420 -8.415 3.698 1.00 0.00 C ATOM 123 CE1 PHE A 8 -0.434 -8.996 6.252 1.00 0.00 C ATOM 124 CE2 PHE A 8 -0.888 -8.794 3.915 1.00 0.00 C ATOM 125 CZ PHE A 8 -1.316 -9.086 5.193 1.00 0.00 C ATOM 0 H PHE A 8 5.420 -8.074 3.877 1.00 0.00 H new ATOM 0 HA PHE A 8 3.520 -9.597 5.558 1.00 0.00 H new ATOM 0 HB2 PHE A 8 2.988 -7.109 5.220 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.810 -7.468 3.514 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.559 -8.540 6.859 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.751 -8.191 2.695 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.766 -9.226 7.254 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.576 -8.862 3.085 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.339 -9.385 5.366 1.00 0.00 H new ATOM 135 N GLU A 9 3.407 -11.250 3.721 1.00 0.00 N ATOM 136 CA GLU A 9 3.215 -12.253 2.669 1.00 0.00 C ATOM 137 C GLU A 9 4.427 -12.322 1.736 1.00 0.00 C ATOM 138 O GLU A 9 4.319 -12.762 0.589 1.00 0.00 O ATOM 139 CB GLU A 9 1.946 -11.947 1.858 1.00 0.00 C ATOM 140 CG GLU A 9 0.679 -11.845 2.697 1.00 0.00 C ATOM 141 CD GLU A 9 0.394 -13.104 3.485 1.00 0.00 C ATOM 142 OE1 GLU A 9 -0.080 -14.091 2.887 1.00 0.00 O ATOM 143 OE2 GLU A 9 0.642 -13.112 4.708 1.00 0.00 O ATOM 0 H GLU A 9 3.359 -11.627 4.668 1.00 0.00 H new ATOM 0 HA GLU A 9 3.103 -13.223 3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.089 -11.010 1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.810 -12.727 1.108 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.771 -11.005 3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.167 -11.631 2.044 1.00 0.00 H new ATOM 150 N GLY A 10 5.583 -11.906 2.244 1.00 0.00 N ATOM 151 CA GLY A 10 6.789 -11.902 1.439 1.00 0.00 C ATOM 152 C GLY A 10 7.096 -10.542 0.842 1.00 0.00 C ATOM 153 O GLY A 10 8.120 -10.365 0.182 1.00 0.00 O ATOM 0 H GLY A 10 5.705 -11.571 3.200 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.631 -12.222 2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.686 -12.631 0.635 1.00 0.00 H new ATOM 157 N GLY A 11 6.213 -9.582 1.065 1.00 0.00 N ATOM 158 CA GLY A 11 6.415 -8.254 0.526 1.00 0.00 C ATOM 159 C GLY A 11 7.074 -7.325 1.522 1.00 0.00 C ATOM 160 O GLY A 11 6.716 -7.322 2.701 1.00 0.00 O ATOM 0 H GLY A 11 5.359 -9.699 1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.031 -8.318 -0.371 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.454 -7.837 0.224 1.00 0.00 H new ATOM 164 N THR A 12 8.036 -6.542 1.052 1.00 0.00 N ATOM 165 CA THR A 12 8.770 -5.622 1.909 1.00 0.00 C ATOM 166 C THR A 12 8.131 -4.234 1.892 1.00 0.00 C ATOM 167 O THR A 12 7.992 -3.617 0.837 1.00 0.00 O ATOM 168 CB THR A 12 10.241 -5.517 1.463 1.00 0.00 C ATOM 169 OG1 THR A 12 10.776 -6.835 1.258 1.00 0.00 O ATOM 170 CG2 THR A 12 11.078 -4.780 2.499 1.00 0.00 C ATOM 0 H THR A 12 8.327 -6.526 0.075 1.00 0.00 H new ATOM 0 HA THR A 12 8.733 -6.016 2.925 1.00 0.00 H new ATOM 0 HB THR A 12 10.278 -4.953 0.531 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.711 -6.768 0.973 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.111 -4.721 2.157 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.683 -3.773 2.636 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.039 -5.317 3.447 1.00 0.00 H new ATOM 178 N ILE A 13 7.729 -3.763 3.061 1.00 0.00 N ATOM 179 CA ILE A 13 7.150 -2.438 3.199 1.00 0.00 C ATOM 180 C ILE A 13 8.203 -1.448 3.677 1.00 0.00 C ATOM 181 O ILE A 13 8.794 -1.617 4.745 1.00 0.00 O ATOM 182 CB ILE A 13 5.952 -2.446 4.178 1.00 0.00 C ATOM 183 CG1 ILE A 13 4.794 -3.260 3.586 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.502 -1.024 4.504 1.00 0.00 C ATOM 185 CD1 ILE A 13 3.613 -3.412 4.515 1.00 0.00 C ATOM 0 H ILE A 13 7.794 -4.285 3.935 1.00 0.00 H new ATOM 0 HA ILE A 13 6.786 -2.131 2.219 1.00 0.00 H new ATOM 0 HB ILE A 13 6.270 -2.915 5.109 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.460 -2.781 2.666 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.160 -4.250 3.315 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.659 -1.058 5.194 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.326 -0.478 4.964 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.200 -0.519 3.587 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.837 -3.999 4.024 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.930 -3.919 5.426 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.219 -2.427 4.766 1.00 0.00 H new ATOM 197 N ASP A 14 8.433 -0.428 2.865 1.00 0.00 N ATOM 198 CA ASP A 14 9.391 0.622 3.173 1.00 0.00 C ATOM 199 C ASP A 14 8.634 1.881 3.582 1.00 0.00 C ATOM 200 O ASP A 14 7.898 2.457 2.779 1.00 0.00 O ATOM 201 CB ASP A 14 10.274 0.935 1.949 1.00 0.00 C ATOM 202 CG ASP A 14 11.035 -0.269 1.412 1.00 0.00 C ATOM 203 OD1 ASP A 14 10.424 -1.113 0.722 1.00 0.00 O ATOM 204 OD2 ASP A 14 12.265 -0.352 1.644 1.00 0.00 O ATOM 0 H ASP A 14 7.959 -0.305 1.970 1.00 0.00 H new ATOM 0 HA ASP A 14 10.033 0.284 3.986 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.646 1.339 1.155 1.00 0.00 H new ATOM 0 HB3 ASP A 14 10.988 1.713 2.218 1.00 0.00 H new ATOM 209 N ILE A 15 8.794 2.304 4.826 1.00 0.00 N ATOM 210 CA ILE A 15 8.131 3.515 5.296 1.00 0.00 C ATOM 211 C ILE A 15 9.148 4.624 5.527 1.00 0.00 C ATOM 212 O ILE A 15 10.070 4.478 6.334 1.00 0.00 O ATOM 213 CB ILE A 15 7.325 3.274 6.595 1.00 0.00 C ATOM 214 CG1 ILE A 15 6.225 2.235 6.357 1.00 0.00 C ATOM 215 CG2 ILE A 15 6.725 4.579 7.104 1.00 0.00 C ATOM 216 CD1 ILE A 15 5.359 1.973 7.572 1.00 0.00 C ATOM 0 H ILE A 15 9.371 1.834 5.524 1.00 0.00 H new ATOM 0 HA ILE A 15 7.430 3.815 4.517 1.00 0.00 H new ATOM 0 HB ILE A 15 8.005 2.890 7.355 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.591 2.572 5.536 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.685 1.299 6.041 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.162 4.389 8.018 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.524 5.290 7.312 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.059 4.993 6.347 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.603 1.227 7.326 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.980 1.605 8.389 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.870 2.898 7.876 1.00 0.00 H new ATOM 228 N GLU A 16 8.970 5.730 4.817 1.00 0.00 N ATOM 229 CA GLU A 16 9.889 6.858 4.898 1.00 0.00 C ATOM 230 C GLU A 16 9.162 8.154 5.240 1.00 0.00 C ATOM 231 O GLU A 16 8.107 8.444 4.677 1.00 0.00 O ATOM 232 CB GLU A 16 10.627 7.032 3.570 1.00 0.00 C ATOM 233 CG GLU A 16 11.844 6.140 3.419 1.00 0.00 C ATOM 234 CD GLU A 16 12.605 6.410 2.140 1.00 0.00 C ATOM 235 OE1 GLU A 16 13.363 7.401 2.091 1.00 0.00 O ATOM 236 OE2 GLU A 16 12.453 5.630 1.177 1.00 0.00 O ATOM 0 H GLU A 16 8.191 5.871 4.174 1.00 0.00 H new ATOM 0 HA GLU A 16 10.601 6.642 5.695 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.936 6.827 2.752 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.937 8.072 3.472 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.507 6.289 4.271 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.530 5.096 3.438 1.00 0.00 H new ATOM 243 N ASP A 17 9.730 8.914 6.175 1.00 0.00 N ATOM 244 CA ASP A 17 9.266 10.271 6.494 1.00 0.00 C ATOM 245 C ASP A 17 7.751 10.317 6.756 1.00 0.00 C ATOM 246 O ASP A 17 7.107 11.342 6.533 1.00 0.00 O ATOM 247 CB ASP A 17 9.644 11.223 5.349 1.00 0.00 C ATOM 248 CG ASP A 17 9.746 12.671 5.799 1.00 0.00 C ATOM 249 OD1 ASP A 17 10.823 13.064 6.299 1.00 0.00 O ATOM 250 OD2 ASP A 17 8.761 13.421 5.656 1.00 0.00 O ATOM 0 H ASP A 17 10.526 8.610 6.735 1.00 0.00 H new ATOM 0 HA ASP A 17 9.757 10.589 7.414 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.598 10.911 4.923 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.900 11.145 4.556 1.00 0.00 H new ATOM 255 N ASP A 18 7.201 9.189 7.224 1.00 0.00 N ATOM 256 CA ASP A 18 5.778 9.066 7.577 1.00 0.00 C ATOM 257 C ASP A 18 4.873 8.996 6.343 1.00 0.00 C ATOM 258 O ASP A 18 4.031 8.106 6.232 1.00 0.00 O ATOM 259 CB ASP A 18 5.343 10.222 8.489 1.00 0.00 C ATOM 260 CG ASP A 18 3.850 10.238 8.745 1.00 0.00 C ATOM 261 OD1 ASP A 18 3.363 9.378 9.507 1.00 0.00 O ATOM 262 OD2 ASP A 18 3.158 11.130 8.203 1.00 0.00 O ATOM 0 H ASP A 18 7.732 8.331 7.370 1.00 0.00 H new ATOM 0 HA ASP A 18 5.667 8.124 8.115 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.869 10.146 9.440 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.639 11.168 8.036 1.00 0.00 H new ATOM 267 N THR A 19 5.058 9.921 5.414 1.00 0.00 N ATOM 268 CA THR A 19 4.164 10.046 4.267 1.00 0.00 C ATOM 269 C THR A 19 4.616 9.188 3.075 1.00 0.00 C ATOM 270 O THR A 19 3.799 8.803 2.227 1.00 0.00 O ATOM 271 CB THR A 19 4.050 11.520 3.840 1.00 0.00 C ATOM 272 OG1 THR A 19 3.797 12.335 4.996 1.00 0.00 O ATOM 273 CG2 THR A 19 2.930 11.720 2.827 1.00 0.00 C ATOM 0 H THR A 19 5.820 10.599 5.430 1.00 0.00 H new ATOM 0 HA THR A 19 3.187 9.678 4.581 1.00 0.00 H new ATOM 0 HB THR A 19 4.990 11.811 3.372 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.726 13.274 4.725 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.877 12.772 2.547 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.129 11.118 1.941 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.981 11.414 3.268 1.00 0.00 H new ATOM 281 N SER A 20 5.904 8.870 3.011 1.00 0.00 N ATOM 282 CA SER A 20 6.436 8.104 1.892 1.00 0.00 C ATOM 283 C SER A 20 6.105 6.626 2.056 1.00 0.00 C ATOM 284 O SER A 20 6.734 5.919 2.851 1.00 0.00 O ATOM 285 CB SER A 20 7.952 8.290 1.770 1.00 0.00 C ATOM 286 OG SER A 20 8.452 7.710 0.575 1.00 0.00 O ATOM 0 H SER A 20 6.594 9.129 3.716 1.00 0.00 H new ATOM 0 HA SER A 20 5.969 8.474 0.979 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.192 9.353 1.788 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.446 7.837 2.630 1.00 0.00 H new ATOM 0 HG SER A 20 9.421 7.847 0.526 1.00 0.00 H new ATOM 292 N LEU A 21 5.108 6.176 1.314 1.00 0.00 N ATOM 293 CA LEU A 21 4.695 4.783 1.345 1.00 0.00 C ATOM 294 C LEU A 21 5.309 4.050 0.158 1.00 0.00 C ATOM 295 O LEU A 21 5.052 4.395 -0.993 1.00 0.00 O ATOM 296 CB LEU A 21 3.163 4.690 1.290 1.00 0.00 C ATOM 297 CG LEU A 21 2.528 3.443 1.930 1.00 0.00 C ATOM 298 CD1 LEU A 21 3.024 2.158 1.285 1.00 0.00 C ATOM 299 CD2 LEU A 21 2.785 3.421 3.429 1.00 0.00 C ATOM 0 H LEU A 21 4.565 6.760 0.678 1.00 0.00 H new ATOM 0 HA LEU A 21 5.039 4.321 2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.750 5.572 1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.856 4.731 0.245 1.00 0.00 H new ATOM 0 HG LEU A 21 1.453 3.501 1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.551 1.303 1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.772 2.162 0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.106 2.087 1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.328 2.532 3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.859 3.404 3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.352 4.311 3.885 1.00 0.00 H new ATOM 311 N THR A 22 6.136 3.061 0.440 1.00 0.00 N ATOM 312 CA THR A 22 6.749 2.264 -0.606 1.00 0.00 C ATOM 313 C THR A 22 6.690 0.780 -0.263 1.00 0.00 C ATOM 314 O THR A 22 6.842 0.399 0.891 1.00 0.00 O ATOM 315 CB THR A 22 8.209 2.694 -0.846 1.00 0.00 C ATOM 316 OG1 THR A 22 8.753 3.283 0.347 1.00 0.00 O ATOM 317 CG2 THR A 22 8.307 3.691 -1.992 1.00 0.00 C ATOM 0 H THR A 22 6.399 2.790 1.387 1.00 0.00 H new ATOM 0 HA THR A 22 6.185 2.433 -1.523 1.00 0.00 H new ATOM 0 HB THR A 22 8.781 1.804 -1.110 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.325 2.885 1.133 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.349 3.976 -2.138 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.924 3.235 -2.905 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.718 4.577 -1.755 1.00 0.00 H new ATOM 325 N ILE A 23 6.436 -0.048 -1.262 1.00 0.00 N ATOM 326 CA ILE A 23 6.412 -1.493 -1.077 1.00 0.00 C ATOM 327 C ILE A 23 7.253 -2.157 -2.156 1.00 0.00 C ATOM 328 O ILE A 23 6.991 -1.969 -3.345 1.00 0.00 O ATOM 329 CB ILE A 23 4.974 -2.061 -1.135 1.00 0.00 C ATOM 330 CG1 ILE A 23 4.087 -1.403 -0.074 1.00 0.00 C ATOM 331 CG2 ILE A 23 4.995 -3.572 -0.949 1.00 0.00 C ATOM 332 CD1 ILE A 23 2.631 -1.811 -0.160 1.00 0.00 C ATOM 0 H ILE A 23 6.242 0.256 -2.216 1.00 0.00 H new ATOM 0 HA ILE A 23 6.819 -1.706 -0.088 1.00 0.00 H new ATOM 0 HB ILE A 23 4.555 -1.836 -2.116 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.469 -1.657 0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.158 -0.320 -0.174 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.977 -3.958 -0.992 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.590 -4.028 -1.741 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.434 -3.813 0.019 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.065 -1.306 0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.232 -1.532 -1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.547 -2.890 -0.029 1.00 0.00 H new ATOM 344 N ASN A 24 8.280 -2.902 -1.739 1.00 0.00 N ATOM 345 CA ASN A 24 9.196 -3.575 -2.666 1.00 0.00 C ATOM 346 C ASN A 24 10.012 -2.542 -3.457 1.00 0.00 C ATOM 347 O ASN A 24 10.735 -2.876 -4.393 1.00 0.00 O ATOM 348 CB ASN A 24 8.406 -4.515 -3.605 1.00 0.00 C ATOM 349 CG ASN A 24 9.280 -5.395 -4.489 1.00 0.00 C ATOM 350 OD1 ASN A 24 9.595 -5.044 -5.626 1.00 0.00 O ATOM 351 ND2 ASN A 24 9.678 -6.549 -3.973 1.00 0.00 N ATOM 0 H ASN A 24 8.500 -3.056 -0.755 1.00 0.00 H new ATOM 0 HA ASN A 24 9.898 -4.183 -2.096 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.760 -5.153 -3.002 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.756 -3.913 -4.240 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.264 -7.178 -4.522 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.398 -6.808 -3.027 1.00 0.00 H new ATOM 358 N GLY A 25 9.933 -1.286 -3.029 1.00 0.00 N ATOM 359 CA GLY A 25 10.589 -0.210 -3.747 1.00 0.00 C ATOM 360 C GLY A 25 9.624 0.537 -4.645 1.00 0.00 C ATOM 361 O GLY A 25 9.976 1.551 -5.247 1.00 0.00 O ATOM 0 H GLY A 25 9.424 -0.994 -2.195 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.034 0.484 -3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.403 -0.617 -4.347 1.00 0.00 H new ATOM 365 N LYS A 26 8.399 0.033 -4.729 1.00 0.00 N ATOM 366 CA LYS A 26 7.370 0.650 -5.550 1.00 0.00 C ATOM 367 C LYS A 26 6.604 1.672 -4.715 1.00 0.00 C ATOM 368 O LYS A 26 6.113 1.354 -3.630 1.00 0.00 O ATOM 369 CB LYS A 26 6.424 -0.432 -6.104 1.00 0.00 C ATOM 370 CG LYS A 26 5.679 -0.033 -7.370 1.00 0.00 C ATOM 371 CD LYS A 26 4.546 0.939 -7.095 1.00 0.00 C ATOM 372 CE LYS A 26 3.904 1.418 -8.385 1.00 0.00 C ATOM 373 NZ LYS A 26 4.848 2.211 -9.222 1.00 0.00 N ATOM 0 H LYS A 26 8.095 -0.806 -4.235 1.00 0.00 H new ATOM 0 HA LYS A 26 7.829 1.163 -6.395 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.003 -1.333 -6.307 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.696 -0.688 -5.335 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.379 0.419 -8.073 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.279 -0.926 -7.849 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.795 0.457 -6.469 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.925 1.794 -6.536 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.551 0.558 -8.954 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.030 2.026 -8.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.314 2.739 -9.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.370 2.879 -8.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.520 1.570 -9.690 1.00 0.00 H new ATOM 387 N GLU A 27 6.514 2.894 -5.218 1.00 0.00 N ATOM 388 CA GLU A 27 5.886 3.986 -4.485 1.00 0.00 C ATOM 389 C GLU A 27 4.364 3.875 -4.518 1.00 0.00 C ATOM 390 O GLU A 27 3.768 3.685 -5.579 1.00 0.00 O ATOM 391 CB GLU A 27 6.331 5.326 -5.069 1.00 0.00 C ATOM 392 CG GLU A 27 5.788 6.529 -4.320 1.00 0.00 C ATOM 393 CD GLU A 27 6.239 7.834 -4.930 1.00 0.00 C ATOM 394 OE1 GLU A 27 5.546 8.340 -5.839 1.00 0.00 O ATOM 395 OE2 GLU A 27 7.294 8.356 -4.516 1.00 0.00 O ATOM 0 H GLU A 27 6.870 3.157 -6.137 1.00 0.00 H new ATOM 0 HA GLU A 27 6.202 3.923 -3.444 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.420 5.369 -5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.012 5.383 -6.110 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.699 6.490 -4.315 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.113 6.484 -3.281 1.00 0.00 H new ATOM 402 N ILE A 28 3.746 4.001 -3.353 1.00 0.00 N ATOM 403 CA ILE A 28 2.302 3.906 -3.238 1.00 0.00 C ATOM 404 C ILE A 28 1.688 5.271 -2.942 1.00 0.00 C ATOM 405 O ILE A 28 1.765 5.773 -1.819 1.00 0.00 O ATOM 406 CB ILE A 28 1.883 2.906 -2.134 1.00 0.00 C ATOM 407 CG1 ILE A 28 2.473 1.516 -2.405 1.00 0.00 C ATOM 408 CG2 ILE A 28 0.367 2.829 -2.032 1.00 0.00 C ATOM 409 CD1 ILE A 28 2.027 0.901 -3.716 1.00 0.00 C ATOM 0 H ILE A 28 4.227 4.170 -2.470 1.00 0.00 H new ATOM 0 HA ILE A 28 1.930 3.543 -4.196 1.00 0.00 H new ATOM 0 HB ILE A 28 2.277 3.265 -1.183 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.561 1.587 -2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.194 0.849 -1.589 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.090 2.121 -1.251 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.032 3.814 -1.787 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.045 2.497 -2.985 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.488 -0.080 -3.833 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.942 0.795 -3.718 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.330 1.545 -4.542 1.00 0.00 H new ATOM 421 N SER A 29 1.111 5.881 -3.964 1.00 0.00 N ATOM 422 CA SER A 29 0.373 7.118 -3.796 1.00 0.00 C ATOM 423 C SER A 29 -1.094 6.823 -3.480 1.00 0.00 C ATOM 424 O SER A 29 -1.806 6.222 -4.289 1.00 0.00 O ATOM 425 CB SER A 29 0.479 7.968 -5.054 1.00 0.00 C ATOM 426 OG SER A 29 1.827 8.321 -5.333 1.00 0.00 O ATOM 0 H SER A 29 1.141 5.536 -4.923 1.00 0.00 H new ATOM 0 HA SER A 29 0.805 7.671 -2.962 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.063 7.421 -5.900 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.118 8.872 -4.934 1.00 0.00 H new ATOM 0 HG SER A 29 1.861 8.865 -6.148 1.00 0.00 H new ATOM 432 N TYR A 30 -1.539 7.222 -2.297 1.00 0.00 N ATOM 433 CA TYR A 30 -2.916 6.983 -1.894 1.00 0.00 C ATOM 434 C TYR A 30 -3.778 8.216 -2.066 1.00 0.00 C ATOM 435 O TYR A 30 -3.280 9.336 -2.194 1.00 0.00 O ATOM 436 CB TYR A 30 -3.012 6.508 -0.440 1.00 0.00 C ATOM 437 CG TYR A 30 -1.945 7.064 0.482 1.00 0.00 C ATOM 438 CD1 TYR A 30 -2.066 8.333 1.041 1.00 0.00 C ATOM 439 CD2 TYR A 30 -0.822 6.312 0.803 1.00 0.00 C ATOM 440 CE1 TYR A 30 -1.096 8.832 1.891 1.00 0.00 C ATOM 441 CE2 TYR A 30 0.153 6.807 1.649 1.00 0.00 C ATOM 442 CZ TYR A 30 0.012 8.066 2.191 1.00 0.00 C ATOM 443 OH TYR A 30 0.974 8.559 3.044 1.00 0.00 O ATOM 0 H TYR A 30 -0.971 7.709 -1.604 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.287 6.196 -2.551 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.991 6.782 -0.047 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.955 5.420 -0.424 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -2.930 8.937 0.807 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.709 5.323 0.384 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.205 9.818 2.319 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.021 6.209 1.884 1.00 0.00 H new ATOM 0 HH TYR A 30 1.846 8.545 2.597 1.00 0.00 H new ATOM 453 N VAL A 31 -5.077 7.986 -2.057 1.00 0.00 N ATOM 454 CA VAL A 31 -6.058 9.054 -2.109 1.00 0.00 C ATOM 455 C VAL A 31 -6.799 9.101 -0.780 1.00 0.00 C ATOM 456 O VAL A 31 -7.705 8.310 -0.533 1.00 0.00 O ATOM 457 CB VAL A 31 -7.069 8.859 -3.265 1.00 0.00 C ATOM 458 CG1 VAL A 31 -8.037 10.032 -3.346 1.00 0.00 C ATOM 459 CG2 VAL A 31 -6.342 8.668 -4.589 1.00 0.00 C ATOM 0 H VAL A 31 -5.483 7.051 -2.013 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.534 9.992 -2.292 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.647 7.958 -3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.737 9.870 -4.166 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.588 10.114 -2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.480 10.952 -3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.071 8.533 -5.388 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.732 9.547 -4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.702 7.788 -4.529 1.00 0.00 H new ATOM 469 N HIS A 32 -6.378 9.991 0.102 1.00 0.00 N ATOM 470 CA HIS A 32 -6.967 10.067 1.425 1.00 0.00 C ATOM 471 C HIS A 32 -7.660 11.398 1.652 1.00 0.00 C ATOM 472 O HIS A 32 -7.015 12.443 1.733 1.00 0.00 O ATOM 473 CB HIS A 32 -5.916 9.816 2.506 1.00 0.00 C ATOM 474 CG HIS A 32 -5.842 8.380 2.908 1.00 0.00 C ATOM 475 ND1 HIS A 32 -5.944 7.957 4.211 1.00 0.00 N ATOM 476 CD2 HIS A 32 -5.712 7.264 2.160 1.00 0.00 C ATOM 477 CE1 HIS A 32 -5.887 6.641 4.249 1.00 0.00 C ATOM 478 NE2 HIS A 32 -5.744 6.192 3.013 1.00 0.00 N ATOM 0 H HIS A 32 -5.635 10.667 -0.074 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.722 9.284 1.491 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -4.941 10.139 2.142 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -6.147 10.424 3.381 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -6.048 8.566 5.022 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.603 7.223 1.086 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.947 6.032 5.139 1.00 0.00 H new ATOM 487 N ASP A 33 -8.982 11.346 1.720 1.00 0.00 N ATOM 488 CA ASP A 33 -9.784 12.516 2.056 1.00 0.00 C ATOM 489 C ASP A 33 -9.889 12.647 3.565 1.00 0.00 C ATOM 490 O ASP A 33 -10.073 13.740 4.097 1.00 0.00 O ATOM 491 CB ASP A 33 -11.179 12.388 1.444 1.00 0.00 C ATOM 492 CG ASP A 33 -12.046 13.618 1.671 1.00 0.00 C ATOM 493 OD1 ASP A 33 -12.531 13.812 2.805 1.00 0.00 O ATOM 494 OD2 ASP A 33 -12.266 14.377 0.703 1.00 0.00 O ATOM 0 H ASP A 33 -9.526 10.501 1.546 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.303 13.407 1.652 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.084 12.210 0.373 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.677 11.516 1.869 1.00 0.00 H new ATOM 499 N ALA A 34 -9.749 11.504 4.231 1.00 0.00 N ATOM 500 CA ALA A 34 -9.808 11.396 5.692 1.00 0.00 C ATOM 501 C ALA A 34 -11.217 11.645 6.234 1.00 0.00 C ATOM 502 O ALA A 34 -11.813 10.763 6.849 1.00 0.00 O ATOM 503 CB ALA A 34 -8.800 12.332 6.355 1.00 0.00 C ATOM 0 H ALA A 34 -9.589 10.610 3.766 1.00 0.00 H new ATOM 0 HA ALA A 34 -9.541 10.369 5.943 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.867 12.230 7.438 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.793 12.073 6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.020 13.362 6.073 1.00 0.00 H new ATOM 509 N VAL A 35 -11.755 12.831 5.988 1.00 0.00 N ATOM 510 CA VAL A 35 -13.033 13.227 6.567 1.00 0.00 C ATOM 511 C VAL A 35 -14.217 12.577 5.845 1.00 0.00 C ATOM 512 O VAL A 35 -14.984 11.827 6.447 1.00 0.00 O ATOM 513 CB VAL A 35 -13.205 14.765 6.548 1.00 0.00 C ATOM 514 CG1 VAL A 35 -14.514 15.168 7.212 1.00 0.00 C ATOM 515 CG2 VAL A 35 -12.024 15.451 7.225 1.00 0.00 C ATOM 0 H VAL A 35 -11.326 13.538 5.390 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.024 12.878 7.600 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.235 15.090 5.508 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.615 16.253 7.188 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -15.348 14.714 6.677 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.517 14.826 8.247 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.167 16.531 7.199 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.955 15.119 8.261 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -11.104 15.194 6.700 1.00 0.00 H new ATOM 525 N LYS A 36 -14.352 12.851 4.555 1.00 0.00 N ATOM 526 CA LYS A 36 -15.526 12.421 3.807 1.00 0.00 C ATOM 527 C LYS A 36 -15.325 11.051 3.170 1.00 0.00 C ATOM 528 O LYS A 36 -16.257 10.486 2.603 1.00 0.00 O ATOM 529 CB LYS A 36 -15.878 13.463 2.746 1.00 0.00 C ATOM 530 CG LYS A 36 -16.300 14.796 3.341 1.00 0.00 C ATOM 531 CD LYS A 36 -16.612 15.823 2.264 1.00 0.00 C ATOM 532 CE LYS A 36 -17.126 17.114 2.876 1.00 0.00 C ATOM 533 NZ LYS A 36 -17.444 18.141 1.851 1.00 0.00 N ATOM 0 H LYS A 36 -13.665 13.368 4.005 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.355 12.329 4.509 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -15.016 13.618 2.096 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -16.684 13.079 2.121 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -17.178 14.651 3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -15.506 15.174 3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -15.715 16.026 1.679 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -17.356 15.420 1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -18.019 16.903 3.464 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -16.378 17.510 3.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -17.791 19.003 2.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -16.587 18.364 1.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -18.177 17.776 1.210 1.00 0.00 H new ATOM 547 N ASN A 37 -14.105 10.530 3.278 1.00 0.00 N ATOM 548 CA ASN A 37 -13.768 9.182 2.798 1.00 0.00 C ATOM 549 C ASN A 37 -13.982 9.033 1.293 1.00 0.00 C ATOM 550 O ASN A 37 -15.048 8.616 0.838 1.00 0.00 O ATOM 551 CB ASN A 37 -14.581 8.109 3.540 1.00 0.00 C ATOM 552 CG ASN A 37 -14.239 8.004 5.015 1.00 0.00 C ATOM 553 OD1 ASN A 37 -15.103 7.704 5.840 1.00 0.00 O ATOM 554 ND2 ASN A 37 -12.980 8.228 5.362 1.00 0.00 N ATOM 0 H ASN A 37 -13.319 11.026 3.699 1.00 0.00 H new ATOM 0 HA ASN A 37 -12.708 9.039 3.006 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.643 8.332 3.436 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -14.411 7.142 3.066 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -12.700 8.154 6.340 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -12.291 8.474 4.651 1.00 0.00 H new ATOM 561 N LYS A 38 -12.970 9.383 0.518 1.00 0.00 N ATOM 562 CA LYS A 38 -13.017 9.177 -0.921 1.00 0.00 C ATOM 563 C LYS A 38 -12.556 7.766 -1.266 1.00 0.00 C ATOM 564 O LYS A 38 -12.368 6.937 -0.372 1.00 0.00 O ATOM 565 CB LYS A 38 -12.171 10.225 -1.650 1.00 0.00 C ATOM 566 CG LYS A 38 -12.879 11.561 -1.803 1.00 0.00 C ATOM 567 CD LYS A 38 -11.971 12.615 -2.416 1.00 0.00 C ATOM 568 CE LYS A 38 -12.741 13.879 -2.782 1.00 0.00 C ATOM 569 NZ LYS A 38 -13.528 14.412 -1.636 1.00 0.00 N ATOM 0 H LYS A 38 -12.108 9.810 0.858 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.048 9.293 -1.255 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.239 10.375 -1.104 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.905 9.846 -2.637 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.763 11.434 -2.429 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.225 11.903 -0.828 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.176 12.864 -1.713 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.493 12.209 -3.307 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.042 14.641 -3.126 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.413 13.665 -3.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.522 15.452 -1.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.508 14.070 -1.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.105 14.087 -0.743 1.00 0.00 H new ATOM 583 N TRP A 39 -12.379 7.499 -2.554 1.00 0.00 N ATOM 584 CA TRP A 39 -12.021 6.166 -3.022 1.00 0.00 C ATOM 585 C TRP A 39 -10.637 5.751 -2.532 1.00 0.00 C ATOM 586 O TRP A 39 -9.808 6.594 -2.181 1.00 0.00 O ATOM 587 CB TRP A 39 -12.088 6.101 -4.553 1.00 0.00 C ATOM 588 CG TRP A 39 -11.225 7.117 -5.252 1.00 0.00 C ATOM 589 CD1 TRP A 39 -9.937 6.949 -5.676 1.00 0.00 C ATOM 590 CD2 TRP A 39 -11.595 8.456 -5.618 1.00 0.00 C ATOM 591 NE1 TRP A 39 -9.484 8.099 -6.278 1.00 0.00 N ATOM 592 CE2 TRP A 39 -10.482 9.039 -6.253 1.00 0.00 C ATOM 593 CE3 TRP A 39 -12.761 9.217 -5.471 1.00 0.00 C ATOM 594 CZ2 TRP A 39 -10.504 10.343 -6.738 1.00 0.00 C ATOM 595 CZ3 TRP A 39 -12.777 10.511 -5.948 1.00 0.00 C ATOM 596 CH2 TRP A 39 -11.657 11.064 -6.576 1.00 0.00 C ATOM 0 H TRP A 39 -12.478 8.192 -3.296 1.00 0.00 H new ATOM 0 HA TRP A 39 -12.744 5.464 -2.606 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -11.790 5.104 -4.877 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -13.122 6.242 -4.867 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -9.359 6.045 -5.556 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -8.555 8.232 -6.679 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -13.633 8.798 -4.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -9.641 10.772 -7.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -13.670 11.107 -5.834 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -11.702 12.080 -6.940 1.00 0.00 H new ATOM 607 N SER A 40 -10.408 4.445 -2.507 1.00 0.00 N ATOM 608 CA SER A 40 -9.144 3.890 -2.054 1.00 0.00 C ATOM 609 C SER A 40 -8.037 4.152 -3.074 1.00 0.00 C ATOM 610 O SER A 40 -8.300 4.635 -4.177 1.00 0.00 O ATOM 611 CB SER A 40 -9.300 2.392 -1.825 1.00 0.00 C ATOM 612 OG SER A 40 -10.410 2.117 -0.982 1.00 0.00 O ATOM 0 H SER A 40 -11.090 3.745 -2.799 1.00 0.00 H new ATOM 0 HA SER A 40 -8.864 4.375 -1.119 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.432 1.886 -2.782 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.391 1.993 -1.376 1.00 0.00 H new ATOM 0 HG SER A 40 -10.524 1.147 -0.898 1.00 0.00 H new ATOM 618 N SER A 41 -6.804 3.828 -2.695 1.00 0.00 N ATOM 619 CA SER A 41 -5.655 3.994 -3.557 1.00 0.00 C ATOM 620 C SER A 41 -5.871 3.291 -4.898 1.00 0.00 C ATOM 621 O SER A 41 -6.479 2.225 -4.956 1.00 0.00 O ATOM 622 CB SER A 41 -4.438 3.417 -2.844 1.00 0.00 C ATOM 623 OG SER A 41 -4.407 3.830 -1.484 1.00 0.00 O ATOM 0 H SER A 41 -6.581 3.442 -1.777 1.00 0.00 H new ATOM 0 HA SER A 41 -5.502 5.053 -3.765 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.461 2.329 -2.898 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.528 3.741 -3.348 1.00 0.00 H new ATOM 0 HG SER A 41 -4.829 4.710 -1.400 1.00 0.00 H new ATOM 629 N ARG A 42 -5.353 3.885 -5.969 1.00 0.00 N ATOM 630 CA ARG A 42 -5.577 3.368 -7.319 1.00 0.00 C ATOM 631 C ARG A 42 -4.951 1.982 -7.515 1.00 0.00 C ATOM 632 O ARG A 42 -5.294 1.269 -8.457 1.00 0.00 O ATOM 633 CB ARG A 42 -5.027 4.341 -8.364 1.00 0.00 C ATOM 634 CG ARG A 42 -3.515 4.495 -8.333 1.00 0.00 C ATOM 635 CD ARG A 42 -3.023 5.372 -9.471 1.00 0.00 C ATOM 636 NE ARG A 42 -3.402 4.840 -10.785 1.00 0.00 N ATOM 637 CZ ARG A 42 -2.622 4.897 -11.866 1.00 0.00 C ATOM 638 NH1 ARG A 42 -1.408 5.427 -11.786 1.00 0.00 N ATOM 639 NH2 ARG A 42 -3.057 4.413 -13.026 1.00 0.00 N ATOM 0 H ARG A 42 -4.775 4.725 -5.930 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.654 3.268 -7.450 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -5.327 4.001 -9.355 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.484 5.319 -8.211 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.212 4.929 -7.380 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.046 3.513 -8.400 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.431 6.376 -9.356 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.938 5.461 -9.416 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.317 4.400 -10.878 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.069 5.792 -10.896 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.814 5.469 -12.614 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.987 3.998 -13.089 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.461 4.457 -13.852 1.00 0.00 H new ATOM 653 N TYR A 43 -4.043 1.606 -6.617 1.00 0.00 N ATOM 654 CA TYR A 43 -3.384 0.303 -6.691 1.00 0.00 C ATOM 655 C TYR A 43 -4.234 -0.755 -5.998 1.00 0.00 C ATOM 656 O TYR A 43 -3.903 -1.940 -6.008 1.00 0.00 O ATOM 657 CB TYR A 43 -2.009 0.352 -6.016 1.00 0.00 C ATOM 658 CG TYR A 43 -1.194 1.576 -6.358 1.00 0.00 C ATOM 659 CD1 TYR A 43 -0.380 1.614 -7.482 1.00 0.00 C ATOM 660 CD2 TYR A 43 -1.236 2.694 -5.541 1.00 0.00 C ATOM 661 CE1 TYR A 43 0.370 2.738 -7.780 1.00 0.00 C ATOM 662 CE2 TYR A 43 -0.493 3.816 -5.834 1.00 0.00 C ATOM 663 CZ TYR A 43 0.307 3.837 -6.951 1.00 0.00 C ATOM 664 OH TYR A 43 1.048 4.959 -7.235 1.00 0.00 O ATOM 0 H TYR A 43 -3.747 2.184 -5.830 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.260 0.048 -7.744 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.146 0.311 -4.935 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.446 -0.537 -6.300 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.331 0.754 -8.133 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.861 2.686 -4.660 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.001 2.754 -8.657 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.539 4.679 -5.186 1.00 0.00 H new ATOM 0 HH TYR A 43 0.448 5.724 -7.359 1.00 0.00 H new ATOM 674 N LEU A 44 -5.329 -0.313 -5.394 1.00 0.00 N ATOM 675 CA LEU A 44 -6.184 -1.188 -4.609 1.00 0.00 C ATOM 676 C LEU A 44 -7.620 -1.103 -5.129 1.00 0.00 C ATOM 677 O LEU A 44 -8.422 -0.297 -4.649 1.00 0.00 O ATOM 678 CB LEU A 44 -6.111 -0.791 -3.129 1.00 0.00 C ATOM 679 CG LEU A 44 -6.583 -1.848 -2.132 1.00 0.00 C ATOM 680 CD1 LEU A 44 -5.728 -3.103 -2.245 1.00 0.00 C ATOM 681 CD2 LEU A 44 -6.531 -1.292 -0.716 1.00 0.00 C ATOM 0 H LEU A 44 -5.647 0.655 -5.435 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.843 -2.219 -4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.079 -0.531 -2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.708 0.110 -2.984 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.614 -2.114 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.077 -3.847 -1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.806 -3.507 -3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.688 -2.855 -2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.869 -2.054 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.507 -1.005 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.179 -0.418 -0.644 1.00 0.00 H new ATOM 693 N PRO A 45 -7.944 -1.914 -6.150 1.00 0.00 N ATOM 694 CA PRO A 45 -9.218 -1.834 -6.876 1.00 0.00 C ATOM 695 C PRO A 45 -10.434 -2.185 -6.022 1.00 0.00 C ATOM 696 O PRO A 45 -10.706 -3.358 -5.762 1.00 0.00 O ATOM 697 CB PRO A 45 -9.062 -2.854 -8.016 1.00 0.00 C ATOM 698 CG PRO A 45 -7.606 -3.167 -8.072 1.00 0.00 C ATOM 699 CD PRO A 45 -7.092 -2.988 -6.675 1.00 0.00 C ATOM 0 HA PRO A 45 -9.404 -0.814 -7.212 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -9.649 -3.752 -7.823 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.412 -2.442 -8.962 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.439 -4.186 -8.422 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.090 -2.503 -8.766 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.187 -3.902 -6.089 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.038 -2.710 -6.664 1.00 0.00 H new ATOM 707 N TYR A 46 -11.141 -1.143 -5.574 1.00 0.00 N ATOM 708 CA TYR A 46 -12.418 -1.277 -4.859 1.00 0.00 C ATOM 709 C TYR A 46 -12.254 -1.838 -3.451 1.00 0.00 C ATOM 710 O TYR A 46 -13.227 -1.933 -2.705 1.00 0.00 O ATOM 711 CB TYR A 46 -13.409 -2.148 -5.637 1.00 0.00 C ATOM 712 CG TYR A 46 -13.990 -1.484 -6.860 1.00 0.00 C ATOM 713 CD1 TYR A 46 -14.798 -0.361 -6.743 1.00 0.00 C ATOM 714 CD2 TYR A 46 -13.738 -1.984 -8.131 1.00 0.00 C ATOM 715 CE1 TYR A 46 -15.341 0.246 -7.858 1.00 0.00 C ATOM 716 CE2 TYR A 46 -14.278 -1.384 -9.251 1.00 0.00 C ATOM 717 CZ TYR A 46 -15.080 -0.271 -9.109 1.00 0.00 C ATOM 718 OH TYR A 46 -15.622 0.327 -10.222 1.00 0.00 O ATOM 0 H TYR A 46 -10.843 -0.175 -5.697 1.00 0.00 H new ATOM 0 HA TYR A 46 -12.813 -0.264 -4.774 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -12.907 -3.067 -5.940 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -14.223 -2.434 -4.972 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -15.005 0.044 -5.764 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -13.110 -2.855 -8.245 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -15.966 1.120 -7.751 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -14.073 -1.784 -10.233 1.00 0.00 H new ATOM 0 HH TYR A 46 -15.340 -0.159 -11.025 1.00 0.00 H new ATOM 728 N THR A 47 -11.040 -2.203 -3.086 1.00 0.00 N ATOM 729 CA THR A 47 -10.790 -2.780 -1.779 1.00 0.00 C ATOM 730 C THR A 47 -10.961 -1.734 -0.683 1.00 0.00 C ATOM 731 O THR A 47 -10.966 -0.526 -0.947 1.00 0.00 O ATOM 732 CB THR A 47 -9.378 -3.362 -1.696 1.00 0.00 C ATOM 733 OG1 THR A 47 -8.953 -3.794 -2.996 1.00 0.00 O ATOM 734 CG2 THR A 47 -9.315 -4.531 -0.724 1.00 0.00 C ATOM 0 H THR A 47 -10.212 -2.110 -3.675 1.00 0.00 H new ATOM 0 HA THR A 47 -11.516 -3.580 -1.633 1.00 0.00 H new ATOM 0 HB THR A 47 -8.713 -2.580 -1.330 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.121 -4.306 -2.915 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.298 -4.921 -0.689 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.609 -4.194 0.270 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.994 -5.317 -1.056 1.00 0.00 H new ATOM 742 N GLN A 48 -11.078 -2.203 0.541 1.00 0.00 N ATOM 743 CA GLN A 48 -11.284 -1.324 1.678 1.00 0.00 C ATOM 744 C GLN A 48 -10.256 -1.643 2.753 1.00 0.00 C ATOM 745 O GLN A 48 -9.787 -2.780 2.857 1.00 0.00 O ATOM 746 CB GLN A 48 -12.711 -1.455 2.239 1.00 0.00 C ATOM 747 CG GLN A 48 -12.960 -2.729 3.032 1.00 0.00 C ATOM 748 CD GLN A 48 -13.018 -3.976 2.171 1.00 0.00 C ATOM 749 OE1 GLN A 48 -13.473 -3.941 1.029 1.00 0.00 O ATOM 750 NE2 GLN A 48 -12.526 -5.080 2.704 1.00 0.00 N ATOM 0 H GLN A 48 -11.034 -3.194 0.777 1.00 0.00 H new ATOM 0 HA GLN A 48 -11.158 -0.293 1.348 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -12.917 -0.597 2.879 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -13.419 -1.412 1.411 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -12.170 -2.846 3.774 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -13.898 -2.630 3.578 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -12.158 -5.067 3.655 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -12.514 -5.945 2.164 1.00 0.00 H new ATOM 759 N TYR A 49 -9.904 -0.648 3.544 1.00 0.00 N ATOM 760 CA TYR A 49 -8.880 -0.807 4.562 1.00 0.00 C ATOM 761 C TYR A 49 -9.229 0.001 5.804 1.00 0.00 C ATOM 762 O TYR A 49 -10.108 0.866 5.769 1.00 0.00 O ATOM 763 CB TYR A 49 -7.521 -0.369 4.009 1.00 0.00 C ATOM 764 CG TYR A 49 -7.557 0.989 3.343 1.00 0.00 C ATOM 765 CD1 TYR A 49 -7.401 2.154 4.082 1.00 0.00 C ATOM 766 CD2 TYR A 49 -7.759 1.104 1.973 1.00 0.00 C ATOM 767 CE1 TYR A 49 -7.445 3.394 3.475 1.00 0.00 C ATOM 768 CE2 TYR A 49 -7.803 2.340 1.359 1.00 0.00 C ATOM 769 CZ TYR A 49 -7.647 3.482 2.116 1.00 0.00 C ATOM 770 OH TYR A 49 -7.683 4.720 1.513 1.00 0.00 O ATOM 0 H TYR A 49 -10.314 0.285 3.502 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.827 -1.859 4.841 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -6.795 -0.349 4.822 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.173 -1.110 3.289 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.243 2.090 5.148 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.884 0.211 1.378 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.321 4.291 4.064 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.959 2.412 0.293 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.219 5.373 2.078 1.00 0.00 H new ATOM 780 N ASP A 50 -8.541 -0.287 6.895 1.00 0.00 N ATOM 781 CA ASP A 50 -8.765 0.413 8.152 1.00 0.00 C ATOM 782 C ASP A 50 -7.995 1.726 8.185 1.00 0.00 C ATOM 783 O ASP A 50 -8.566 2.793 8.416 1.00 0.00 O ATOM 784 CB ASP A 50 -8.347 -0.472 9.325 1.00 0.00 C ATOM 785 CG ASP A 50 -8.577 0.195 10.664 1.00 0.00 C ATOM 786 OD1 ASP A 50 -9.736 0.221 11.129 1.00 0.00 O ATOM 787 OD2 ASP A 50 -7.599 0.695 11.264 1.00 0.00 O ATOM 0 H ASP A 50 -7.818 -1.005 6.937 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.828 0.638 8.236 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.906 -1.407 9.288 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.292 -0.727 9.226 1.00 0.00 H new ATOM 792 N SER A 51 -6.697 1.638 7.941 1.00 0.00 N ATOM 793 CA SER A 51 -5.825 2.800 7.967 1.00 0.00 C ATOM 794 C SER A 51 -4.583 2.545 7.108 1.00 0.00 C ATOM 795 O SER A 51 -4.565 1.590 6.336 1.00 0.00 O ATOM 796 CB SER A 51 -5.466 3.136 9.418 1.00 0.00 C ATOM 797 OG SER A 51 -5.353 1.959 10.199 1.00 0.00 O ATOM 0 H SER A 51 -6.221 0.763 7.720 1.00 0.00 H new ATOM 0 HA SER A 51 -6.339 3.662 7.542 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.526 3.687 9.446 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.229 3.787 9.844 1.00 0.00 H new ATOM 0 HG SER A 51 -6.243 1.676 10.495 1.00 0.00 H new ATOM 803 N LEU A 52 -3.555 3.385 7.242 1.00 0.00 N ATOM 804 CA LEU A 52 -2.394 3.344 6.343 1.00 0.00 C ATOM 805 C LEU A 52 -1.631 2.016 6.400 1.00 0.00 C ATOM 806 O LEU A 52 -1.287 1.452 5.359 1.00 0.00 O ATOM 807 CB LEU A 52 -1.443 4.501 6.651 1.00 0.00 C ATOM 808 CG LEU A 52 -1.996 5.894 6.340 1.00 0.00 C ATOM 809 CD1 LEU A 52 -0.975 6.961 6.696 1.00 0.00 C ATOM 810 CD2 LEU A 52 -2.382 6.000 4.871 1.00 0.00 C ATOM 0 H LEU A 52 -3.500 4.103 7.964 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.786 3.441 5.331 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.176 4.460 7.707 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.524 4.357 6.084 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.889 6.052 6.944 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.384 7.946 6.469 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.742 6.901 7.759 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.066 6.803 6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.773 6.997 4.669 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.504 5.822 4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.146 5.257 4.641 1.00 0.00 H new ATOM 822 N LEU A 53 -1.360 1.526 7.603 1.00 0.00 N ATOM 823 CA LEU A 53 -0.603 0.285 7.770 1.00 0.00 C ATOM 824 C LEU A 53 -1.385 -0.890 7.179 1.00 0.00 C ATOM 825 O LEU A 53 -0.843 -1.700 6.421 1.00 0.00 O ATOM 826 CB LEU A 53 -0.302 0.055 9.264 1.00 0.00 C ATOM 827 CG LEU A 53 0.855 -0.906 9.596 1.00 0.00 C ATOM 828 CD1 LEU A 53 0.466 -2.355 9.343 1.00 0.00 C ATOM 829 CD2 LEU A 53 2.100 -0.545 8.797 1.00 0.00 C ATOM 0 H LEU A 53 -1.651 1.965 8.477 1.00 0.00 H new ATOM 0 HA LEU A 53 0.344 0.363 7.237 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.084 1.021 9.720 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.207 -0.325 9.739 1.00 0.00 H new ATOM 0 HG LEU A 53 1.077 -0.799 10.658 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.306 -3.005 9.588 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.389 -2.616 9.966 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.202 -2.483 8.293 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.905 -1.236 9.046 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.881 -0.613 7.731 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.406 0.472 9.041 1.00 0.00 H new ATOM 841 N ASP A 54 -2.665 -0.966 7.521 1.00 0.00 N ATOM 842 CA ASP A 54 -3.551 -1.997 6.989 1.00 0.00 C ATOM 843 C ASP A 54 -3.703 -1.849 5.474 1.00 0.00 C ATOM 844 O ASP A 54 -3.817 -2.840 4.756 1.00 0.00 O ATOM 845 CB ASP A 54 -4.918 -1.923 7.679 1.00 0.00 C ATOM 846 CG ASP A 54 -5.907 -2.946 7.154 1.00 0.00 C ATOM 847 OD1 ASP A 54 -5.628 -4.160 7.251 1.00 0.00 O ATOM 848 OD2 ASP A 54 -6.970 -2.535 6.645 1.00 0.00 O ATOM 0 H ASP A 54 -3.117 -0.321 8.169 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.110 -2.973 7.191 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.786 -2.072 8.751 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.332 -0.924 7.544 1.00 0.00 H new ATOM 853 N LEU A 55 -3.679 -0.603 5.006 1.00 0.00 N ATOM 854 CA LEU A 55 -3.748 -0.290 3.579 1.00 0.00 C ATOM 855 C LEU A 55 -2.609 -0.987 2.837 1.00 0.00 C ATOM 856 O LEU A 55 -2.831 -1.691 1.849 1.00 0.00 O ATOM 857 CB LEU A 55 -3.664 1.237 3.386 1.00 0.00 C ATOM 858 CG LEU A 55 -4.090 1.797 2.020 1.00 0.00 C ATOM 859 CD1 LEU A 55 -4.151 3.311 2.086 1.00 0.00 C ATOM 860 CD2 LEU A 55 -3.141 1.379 0.910 1.00 0.00 C ATOM 0 H LEU A 55 -3.611 0.219 5.605 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.694 -0.648 3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.280 1.709 4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.635 1.545 3.571 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.074 1.388 1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.453 3.706 1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.875 3.613 2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.168 3.704 2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.482 1.798 -0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.139 1.747 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.120 0.291 0.839 1.00 0.00 H new ATOM 872 N ALA A 56 -1.391 -0.794 3.331 1.00 0.00 N ATOM 873 CA ALA A 56 -0.209 -1.372 2.706 1.00 0.00 C ATOM 874 C ALA A 56 -0.301 -2.892 2.663 1.00 0.00 C ATOM 875 O ALA A 56 0.017 -3.515 1.651 1.00 0.00 O ATOM 876 CB ALA A 56 1.044 -0.937 3.447 1.00 0.00 C ATOM 0 H ALA A 56 -1.197 -0.240 4.165 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.155 -1.009 1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.920 -1.376 2.970 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.123 0.150 3.421 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.989 -1.272 4.483 1.00 0.00 H new ATOM 882 N ARG A 57 -0.759 -3.482 3.761 1.00 0.00 N ATOM 883 CA ARG A 57 -0.909 -4.927 3.841 1.00 0.00 C ATOM 884 C ARG A 57 -2.002 -5.410 2.889 1.00 0.00 C ATOM 885 O ARG A 57 -1.856 -6.443 2.239 1.00 0.00 O ATOM 886 CB ARG A 57 -1.222 -5.355 5.278 1.00 0.00 C ATOM 887 CG ARG A 57 -0.061 -5.148 6.239 1.00 0.00 C ATOM 888 CD ARG A 57 -0.419 -5.580 7.655 1.00 0.00 C ATOM 889 NE ARG A 57 0.769 -5.688 8.509 1.00 0.00 N ATOM 890 CZ ARG A 57 0.748 -6.146 9.761 1.00 0.00 C ATOM 891 NH1 ARG A 57 -0.403 -6.455 10.345 1.00 0.00 N ATOM 892 NH2 ARG A 57 1.881 -6.283 10.438 1.00 0.00 N ATOM 0 H ARG A 57 -1.032 -2.981 4.607 1.00 0.00 H new ATOM 0 HA ARG A 57 0.033 -5.386 3.541 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.085 -4.793 5.636 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.503 -6.408 5.282 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.803 -5.715 5.893 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.227 -4.097 6.241 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.115 -4.862 8.089 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.932 -6.541 7.623 1.00 0.00 H new ATOM 0 HE ARG A 57 1.666 -5.395 8.121 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.280 -6.343 9.836 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.411 -6.805 11.303 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.769 -6.038 10.001 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.864 -6.633 11.396 1.00 0.00 H new ATOM 906 N ALA A 58 -3.081 -4.639 2.790 1.00 0.00 N ATOM 907 CA ALA A 58 -4.199 -4.989 1.918 1.00 0.00 C ATOM 908 C ALA A 58 -3.749 -5.061 0.463 1.00 0.00 C ATOM 909 O ALA A 58 -4.169 -5.946 -0.282 1.00 0.00 O ATOM 910 CB ALA A 58 -5.338 -3.987 2.074 1.00 0.00 C ATOM 0 H ALA A 58 -3.205 -3.766 3.303 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.563 -5.973 2.213 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.161 -4.266 1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.684 -3.988 3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.984 -2.990 1.810 1.00 0.00 H new ATOM 916 N ILE A 59 -2.874 -4.139 0.073 1.00 0.00 N ATOM 917 CA ILE A 59 -2.336 -4.130 -1.282 1.00 0.00 C ATOM 918 C ILE A 59 -1.538 -5.399 -1.550 1.00 0.00 C ATOM 919 O ILE A 59 -1.764 -6.077 -2.547 1.00 0.00 O ATOM 920 CB ILE A 59 -1.443 -2.895 -1.539 1.00 0.00 C ATOM 921 CG1 ILE A 59 -2.259 -1.608 -1.393 1.00 0.00 C ATOM 922 CG2 ILE A 59 -0.805 -2.968 -2.924 1.00 0.00 C ATOM 923 CD1 ILE A 59 -1.459 -0.356 -1.666 1.00 0.00 C ATOM 0 H ILE A 59 -2.524 -3.392 0.673 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.186 -4.083 -1.963 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.646 -2.888 -0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.107 -1.645 -2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.666 -1.557 -0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.181 -2.089 -3.084 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.192 -3.866 -2.995 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.586 -3.001 -3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.099 0.518 -1.545 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.626 -0.296 -0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.074 -0.385 -2.685 1.00 0.00 H new ATOM 935 N ILE A 60 -0.633 -5.738 -0.641 1.00 0.00 N ATOM 936 CA ILE A 60 0.214 -6.910 -0.814 1.00 0.00 C ATOM 937 C ILE A 60 -0.622 -8.190 -0.889 1.00 0.00 C ATOM 938 O ILE A 60 -0.336 -9.084 -1.685 1.00 0.00 O ATOM 939 CB ILE A 60 1.263 -7.028 0.313 1.00 0.00 C ATOM 940 CG1 ILE A 60 2.131 -5.769 0.355 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.126 -8.264 0.100 1.00 0.00 C ATOM 942 CD1 ILE A 60 3.124 -5.757 1.494 1.00 0.00 C ATOM 0 H ILE A 60 -0.467 -5.219 0.221 1.00 0.00 H new ATOM 0 HA ILE A 60 0.744 -6.783 -1.758 1.00 0.00 H new ATOM 0 HB ILE A 60 0.747 -7.127 1.268 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.671 -5.678 -0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.485 -4.895 0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.862 -8.336 0.901 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.496 -9.153 0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.639 -8.189 -0.859 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.704 -4.835 1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.590 -5.816 2.443 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.794 -6.611 1.401 1.00 0.00 H new ATOM 954 N ARG A 61 -1.660 -8.270 -0.066 1.00 0.00 N ATOM 955 CA ARG A 61 -2.524 -9.441 -0.046 1.00 0.00 C ATOM 956 C ARG A 61 -3.342 -9.552 -1.334 1.00 0.00 C ATOM 957 O ARG A 61 -3.477 -10.635 -1.903 1.00 0.00 O ATOM 958 CB ARG A 61 -3.483 -9.376 1.139 1.00 0.00 C ATOM 959 CG ARG A 61 -4.327 -10.629 1.300 1.00 0.00 C ATOM 960 CD ARG A 61 -5.659 -10.319 1.953 1.00 0.00 C ATOM 961 NE ARG A 61 -6.511 -9.510 1.079 1.00 0.00 N ATOM 962 CZ ARG A 61 -7.447 -8.670 1.516 1.00 0.00 C ATOM 963 NH1 ARG A 61 -7.642 -8.509 2.821 1.00 0.00 N ATOM 964 NH2 ARG A 61 -8.183 -7.988 0.644 1.00 0.00 N ATOM 0 H ARG A 61 -1.923 -7.539 0.595 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.880 -10.316 0.043 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.910 -9.212 2.052 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.142 -8.516 1.017 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.496 -11.084 0.324 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.786 -11.359 1.902 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.169 -11.250 2.200 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.491 -9.789 2.891 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.379 -9.595 0.071 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.074 -9.029 3.490 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.360 -7.865 3.154 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.030 -8.109 -0.357 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.901 -7.344 0.976 1.00 0.00 H new ATOM 978 N ASP A 62 -3.887 -8.428 -1.790 1.00 0.00 N ATOM 979 CA ASP A 62 -4.802 -8.440 -2.929 1.00 0.00 C ATOM 980 C ASP A 62 -4.047 -8.472 -4.247 1.00 0.00 C ATOM 981 O ASP A 62 -4.555 -8.955 -5.258 1.00 0.00 O ATOM 982 CB ASP A 62 -5.745 -7.240 -2.877 1.00 0.00 C ATOM 983 CG ASP A 62 -7.196 -7.659 -2.999 1.00 0.00 C ATOM 984 OD1 ASP A 62 -7.782 -8.091 -1.985 1.00 0.00 O ATOM 985 OD2 ASP A 62 -7.758 -7.565 -4.110 1.00 0.00 O ATOM 0 H ASP A 62 -3.714 -7.504 -1.393 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.398 -9.351 -2.866 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.599 -6.703 -1.939 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.498 -6.548 -3.682 1.00 0.00 H new ATOM 990 N THR A 63 -2.833 -7.970 -4.222 1.00 0.00 N ATOM 991 CA THR A 63 -1.942 -8.063 -5.366 1.00 0.00 C ATOM 992 C THR A 63 -0.638 -8.732 -4.950 1.00 0.00 C ATOM 993 O THR A 63 0.288 -8.089 -4.454 1.00 0.00 O ATOM 994 CB THR A 63 -1.681 -6.690 -6.034 1.00 0.00 C ATOM 995 OG1 THR A 63 -1.331 -5.694 -5.064 1.00 0.00 O ATOM 996 CG2 THR A 63 -2.907 -6.226 -6.808 1.00 0.00 C ATOM 0 H THR A 63 -2.434 -7.488 -3.416 1.00 0.00 H new ATOM 0 HA THR A 63 -2.435 -8.676 -6.120 1.00 0.00 H new ATOM 0 HB THR A 63 -0.845 -6.820 -6.721 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.185 -6.121 -4.194 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.702 -5.260 -7.269 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.145 -6.955 -7.583 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.753 -6.131 -6.127 1.00 0.00 H new ATOM 1004 N VAL A 64 -0.586 -10.040 -5.157 1.00 0.00 N ATOM 1005 CA VAL A 64 0.488 -10.883 -4.638 1.00 0.00 C ATOM 1006 C VAL A 64 1.799 -10.703 -5.396 1.00 0.00 C ATOM 1007 O VAL A 64 2.810 -11.319 -5.061 1.00 0.00 O ATOM 1008 CB VAL A 64 0.091 -12.366 -4.687 1.00 0.00 C ATOM 1009 CG1 VAL A 64 -1.016 -12.655 -3.689 1.00 0.00 C ATOM 1010 CG2 VAL A 64 -0.344 -12.758 -6.089 1.00 0.00 C ATOM 0 H VAL A 64 -1.289 -10.551 -5.691 1.00 0.00 H new ATOM 0 HA VAL A 64 0.644 -10.568 -3.606 1.00 0.00 H new ATOM 0 HB VAL A 64 0.963 -12.962 -4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.284 -13.710 -3.738 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.671 -12.415 -2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.889 -12.048 -3.928 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.621 -13.812 -6.103 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.201 -12.154 -6.386 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.478 -12.590 -6.785 1.00 0.00 H new ATOM 1020 N GLU A 65 1.782 -9.858 -6.410 1.00 0.00 N ATOM 1021 CA GLU A 65 2.972 -9.599 -7.213 1.00 0.00 C ATOM 1022 C GLU A 65 3.971 -8.724 -6.455 1.00 0.00 C ATOM 1023 O GLU A 65 5.034 -8.383 -6.978 1.00 0.00 O ATOM 1024 CB GLU A 65 2.585 -8.946 -8.543 1.00 0.00 C ATOM 1025 CG GLU A 65 1.688 -9.826 -9.397 1.00 0.00 C ATOM 1026 CD GLU A 65 1.347 -9.191 -10.725 1.00 0.00 C ATOM 1027 OE1 GLU A 65 0.420 -8.357 -10.768 1.00 0.00 O ATOM 1028 OE2 GLU A 65 2.009 -9.521 -11.731 1.00 0.00 O ATOM 0 H GLU A 65 0.956 -9.335 -6.701 1.00 0.00 H new ATOM 0 HA GLU A 65 3.455 -10.554 -7.420 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.076 -8.003 -8.344 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.490 -8.708 -9.102 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.182 -10.782 -9.571 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.768 -10.038 -8.852 1.00 0.00 H new ATOM 1035 N PHE A 66 3.629 -8.372 -5.222 1.00 0.00 N ATOM 1036 CA PHE A 66 4.528 -7.610 -4.364 1.00 0.00 C ATOM 1037 C PHE A 66 5.334 -8.530 -3.452 1.00 0.00 C ATOM 1038 O PHE A 66 6.179 -8.067 -2.684 1.00 0.00 O ATOM 1039 CB PHE A 66 3.747 -6.601 -3.525 1.00 0.00 C ATOM 1040 CG PHE A 66 3.288 -5.401 -4.301 1.00 0.00 C ATOM 1041 CD1 PHE A 66 4.109 -4.291 -4.431 1.00 0.00 C ATOM 1042 CD2 PHE A 66 2.040 -5.377 -4.901 1.00 0.00 C ATOM 1043 CE1 PHE A 66 3.694 -3.182 -5.145 1.00 0.00 C ATOM 1044 CE2 PHE A 66 1.618 -4.271 -5.616 1.00 0.00 C ATOM 1045 CZ PHE A 66 2.448 -3.171 -5.737 1.00 0.00 C ATOM 0 H PHE A 66 2.733 -8.603 -4.793 1.00 0.00 H new ATOM 0 HA PHE A 66 5.222 -7.072 -5.010 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.878 -7.097 -3.091 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.372 -6.270 -2.696 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.085 -4.293 -3.969 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.388 -6.233 -4.809 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.345 -2.325 -5.239 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.642 -4.266 -6.079 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.121 -2.305 -6.294 1.00 0.00 H new ATOM 1055 N SER A 67 5.067 -9.828 -3.527 1.00 0.00 N ATOM 1056 CA SER A 67 5.810 -10.804 -2.746 1.00 0.00 C ATOM 1057 C SER A 67 7.204 -11.004 -3.336 1.00 0.00 C ATOM 1058 O SER A 67 7.376 -11.722 -4.321 1.00 0.00 O ATOM 1059 CB SER A 67 5.061 -12.138 -2.706 1.00 0.00 C ATOM 1060 OG SER A 67 3.751 -11.976 -2.181 1.00 0.00 O ATOM 0 H SER A 67 4.341 -10.227 -4.122 1.00 0.00 H new ATOM 0 HA SER A 67 5.909 -10.428 -1.728 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.004 -12.556 -3.711 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.615 -12.851 -2.095 1.00 0.00 H new ATOM 0 HG SER A 67 3.750 -12.205 -1.228 1.00 0.00 H new ATOM 1066 N GLY A 68 8.192 -10.350 -2.742 1.00 0.00 N ATOM 1067 CA GLY A 68 9.548 -10.453 -3.236 1.00 0.00 C ATOM 1068 C GLY A 68 10.340 -11.531 -2.527 1.00 0.00 C ATOM 1069 O GLY A 68 11.013 -12.338 -3.167 1.00 0.00 O ATOM 0 H GLY A 68 8.077 -9.749 -1.926 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.527 -10.665 -4.305 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.051 -9.494 -3.111 1.00 0.00 H new ATOM 1073 N VAL A 69 10.258 -11.549 -1.206 1.00 0.00 N ATOM 1074 CA VAL A 69 11.009 -12.509 -0.410 1.00 0.00 C ATOM 1075 C VAL A 69 10.099 -13.635 0.070 1.00 0.00 C ATOM 1076 O VAL A 69 9.340 -13.468 1.025 1.00 0.00 O ATOM 1077 CB VAL A 69 11.670 -11.836 0.808 1.00 0.00 C ATOM 1078 CG1 VAL A 69 12.531 -12.826 1.579 1.00 0.00 C ATOM 1079 CG2 VAL A 69 12.493 -10.632 0.374 1.00 0.00 C ATOM 0 H VAL A 69 9.679 -10.910 -0.661 1.00 0.00 H new ATOM 0 HA VAL A 69 11.791 -12.919 -1.049 1.00 0.00 H new ATOM 0 HB VAL A 69 10.879 -11.490 1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 69 12.986 -12.325 2.433 1.00 0.00 H new ATOM 0 HG12 VAL A 69 11.911 -13.651 1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 69 13.314 -13.213 0.927 1.00 0.00 H new ATOM 0 HG21 VAL A 69 12.952 -10.170 1.248 1.00 0.00 H new ATOM 0 HG22 VAL A 69 13.272 -10.954 -0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.846 -9.908 -0.121 1.00 0.00 H new ATOM 1089 N LYS A 70 10.169 -14.777 -0.598 1.00 0.00 N ATOM 1090 CA LYS A 70 9.300 -15.902 -0.272 1.00 0.00 C ATOM 1091 C LYS A 70 10.092 -17.209 -0.244 1.00 0.00 C ATOM 1092 O LYS A 70 9.542 -18.290 -0.459 1.00 0.00 O ATOM 1093 CB LYS A 70 8.157 -16.002 -1.289 1.00 0.00 C ATOM 1094 CG LYS A 70 7.069 -16.980 -0.871 1.00 0.00 C ATOM 1095 CD LYS A 70 6.267 -17.485 -2.056 1.00 0.00 C ATOM 1096 CE LYS A 70 5.435 -18.696 -1.672 1.00 0.00 C ATOM 1097 NZ LYS A 70 4.502 -18.394 -0.556 1.00 0.00 N ATOM 0 H LYS A 70 10.816 -14.951 -1.367 1.00 0.00 H new ATOM 0 HA LYS A 70 8.879 -15.732 0.719 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.716 -15.015 -1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.562 -16.309 -2.253 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.522 -17.826 -0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.399 -16.494 -0.161 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.615 -16.692 -2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.941 -17.746 -2.872 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.867 -19.036 -2.538 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.095 -19.513 -1.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.849 -19.192 -0.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.044 -18.242 0.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.959 -17.536 -0.780 1.00 0.00 H new ATOM 1111 N GLU A 71 11.391 -17.101 0.030 1.00 0.00 N ATOM 1112 CA GLU A 71 12.257 -18.276 0.142 1.00 0.00 C ATOM 1113 C GLU A 71 12.349 -19.016 -1.190 1.00 0.00 C ATOM 1114 O GLU A 71 12.091 -18.448 -2.254 1.00 0.00 O ATOM 1115 CB GLU A 71 11.722 -19.225 1.223 1.00 0.00 C ATOM 1116 CG GLU A 71 11.624 -18.601 2.604 1.00 0.00 C ATOM 1117 CD GLU A 71 12.977 -18.391 3.239 1.00 0.00 C ATOM 1118 OE1 GLU A 71 13.676 -17.423 2.874 1.00 0.00 O ATOM 1119 OE2 GLU A 71 13.353 -19.199 4.111 1.00 0.00 O ATOM 0 H GLU A 71 11.868 -16.212 0.179 1.00 0.00 H new ATOM 0 HA GLU A 71 13.255 -17.935 0.419 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.735 -19.578 0.925 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.370 -20.100 1.277 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.108 -17.644 2.531 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.020 -19.241 3.247 1.00 0.00 H new ATOM 1126 N GLY A 72 12.741 -20.275 -1.126 1.00 0.00 N ATOM 1127 CA GLY A 72 12.756 -21.112 -2.304 1.00 0.00 C ATOM 1128 C GLY A 72 12.011 -22.405 -2.050 1.00 0.00 C ATOM 1129 O GLY A 72 12.379 -23.464 -2.563 1.00 0.00 O ATOM 0 H GLY A 72 13.052 -20.737 -0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.299 -20.581 -3.139 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.785 -21.329 -2.589 1.00 0.00 H new ATOM 1133 N SER A 73 10.965 -22.305 -1.247 1.00 0.00 N ATOM 1134 CA SER A 73 10.207 -23.465 -0.817 1.00 0.00 C ATOM 1135 C SER A 73 8.946 -23.622 -1.656 1.00 0.00 C ATOM 1136 O SER A 73 8.883 -24.571 -2.465 1.00 0.00 O ATOM 1137 CB SER A 73 9.851 -23.315 0.661 1.00 0.00 C ATOM 1138 OG SER A 73 10.999 -22.976 1.427 1.00 0.00 O ATOM 1139 OXT SER A 73 8.035 -22.780 -1.521 1.00 0.00 O ATOM 0 H SER A 73 10.619 -21.420 -0.877 1.00 0.00 H new ATOM 0 HA SER A 73 10.814 -24.360 -0.952 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.089 -22.544 0.779 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.423 -24.246 1.032 1.00 0.00 H new ATOM 0 HG SER A 73 10.748 -22.883 2.370 1.00 0.00 H new TER 1145 SER A 73