USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 523 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 TYR OH : rot 170:sc= 0.142 USER MOD Set 1.2: A 65 GLN : amide:sc= 0.124 X(o=0.46,f=0.2) USER MOD Set 1.3: A 70 SER OG : rot -89:sc= 0.199 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -24:sc= 0.496 USER MOD Single : A 7 SER OG : rot 180:sc= 0.133 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -172:sc=-5.37e-05 (180deg=-0.0829) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.053 USER MOD Single : A 26 ASN : amide:sc= -1.53 K(o=-1.5,f=-0.1) USER MOD Single : A 30 SER OG : rot 180:sc= -0.336 USER MOD Single : A 32 ASN : amide:sc= -0.0129 K(o=-0.013,f=-1.4) USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 39 LYS NZ :NH3+ -142:sc= -0.215 (180deg=-2.8!) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 70:sc= 0.498 USER MOD Single : A 56 ASN : amide:sc=-0.000602 X(o=-0.0006,f=-0.009) USER MOD Single : A 58 MET CE :methyl -166:sc= -0.38 (180deg=-1.21) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : A 76 LYS NZ :NH3+ 175:sc= 0.904 (180deg=0.892) USER MOD Single : A 79 HIS : no HE2:sc= -1.46 K(o=-1.5,f=-5.2!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.608 1.008 -1.128 1.00 0.00 N ATOM 2 CA MET A 1 -18.198 2.094 -2.011 1.00 0.00 C ATOM 3 C MET A 1 -16.846 1.792 -2.651 1.00 0.00 C ATOM 4 O MET A 1 -15.809 2.264 -2.186 1.00 0.00 O ATOM 5 CB MET A 1 -18.125 3.410 -1.235 1.00 0.00 C ATOM 6 CG MET A 1 -18.353 4.639 -2.101 1.00 0.00 C ATOM 7 SD MET A 1 -17.768 6.156 -1.321 1.00 0.00 S ATOM 8 CE MET A 1 -16.183 6.361 -2.129 1.00 0.00 C ATOM 0 H1 MET A 1 -19.530 1.235 -0.704 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.686 0.127 -1.675 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.901 0.887 -0.375 1.00 0.00 H new ATOM 0 HA MET A 1 -18.942 2.188 -2.802 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.868 3.394 -0.438 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.148 3.488 -0.758 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.844 4.506 -3.055 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.417 4.734 -2.318 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.696 7.260 -1.752 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.555 5.494 -1.923 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.332 6.453 -3.205 1.00 0.00 H new ATOM 16 N ALA A 2 -16.866 1.004 -3.721 1.00 0.00 N ATOM 17 CA ALA A 2 -15.642 0.641 -4.425 1.00 0.00 C ATOM 18 C ALA A 2 -15.954 -0.104 -5.719 1.00 0.00 C ATOM 19 O ALA A 2 -17.114 -0.385 -6.021 1.00 0.00 O ATOM 20 CB ALA A 2 -14.748 -0.202 -3.530 1.00 0.00 C ATOM 0 H ALA A 2 -17.716 0.605 -4.119 1.00 0.00 H new ATOM 0 HA ALA A 2 -15.115 1.559 -4.683 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.838 -0.465 -4.069 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.489 0.366 -2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.275 -1.111 -3.242 1.00 0.00 H new ATOM 26 N ARG A 3 -14.911 -0.421 -6.479 1.00 0.00 N ATOM 27 CA ARG A 3 -15.075 -1.132 -7.742 1.00 0.00 C ATOM 28 C ARG A 3 -13.719 -1.490 -8.344 1.00 0.00 C ATOM 29 O ARG A 3 -12.797 -0.675 -8.353 1.00 0.00 O ATOM 30 CB ARG A 3 -15.876 -0.283 -8.731 1.00 0.00 C ATOM 31 CG ARG A 3 -16.921 -1.070 -9.503 1.00 0.00 C ATOM 32 CD ARG A 3 -18.187 -0.256 -9.716 1.00 0.00 C ATOM 33 NE ARG A 3 -19.356 -1.107 -9.924 1.00 0.00 N ATOM 34 CZ ARG A 3 -20.604 -0.652 -9.934 1.00 0.00 C ATOM 35 NH1 ARG A 3 -20.844 0.639 -9.748 1.00 0.00 N ATOM 36 NH2 ARG A 3 -21.615 -1.489 -10.131 1.00 0.00 N ATOM 0 H ARG A 3 -13.944 -0.197 -6.243 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.620 -2.055 -7.542 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -16.369 0.524 -8.188 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -15.188 0.182 -9.438 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -16.513 -1.369 -10.468 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -17.162 -1.985 -8.962 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -18.355 0.386 -8.851 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -18.057 0.398 -10.578 1.00 0.00 H new ATOM 0 HE ARG A 3 -19.206 -2.105 -10.070 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -20.069 1.285 -9.597 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -21.803 0.986 -9.756 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -21.434 -2.482 -10.275 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -22.573 -1.139 -10.139 1.00 0.00 H new ATOM 47 N GLY A 4 -13.605 -2.716 -8.845 1.00 0.00 N ATOM 48 CA GLY A 4 -12.359 -3.160 -9.441 1.00 0.00 C ATOM 49 C GLY A 4 -11.176 -2.990 -8.507 1.00 0.00 C ATOM 50 O GLY A 4 -10.373 -2.074 -8.673 1.00 0.00 O ATOM 0 H GLY A 4 -14.353 -3.409 -8.849 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.448 -4.209 -9.722 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.178 -2.599 -10.358 1.00 0.00 H new ATOM 54 N SER A 5 -11.071 -3.876 -7.521 1.00 0.00 N ATOM 55 CA SER A 5 -9.982 -3.817 -6.554 1.00 0.00 C ATOM 56 C SER A 5 -9.771 -5.174 -5.889 1.00 0.00 C ATOM 57 O SER A 5 -10.333 -6.182 -6.318 1.00 0.00 O ATOM 58 CB SER A 5 -10.272 -2.756 -5.491 1.00 0.00 C ATOM 59 OG SER A 5 -10.649 -1.526 -6.088 1.00 0.00 O ATOM 0 H SER A 5 -11.727 -4.643 -7.371 1.00 0.00 H new ATOM 0 HA SER A 5 -9.071 -3.547 -7.087 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.068 -3.104 -4.833 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.388 -2.607 -4.871 1.00 0.00 H new ATOM 0 HG SER A 5 -10.295 -1.483 -7.001 1.00 0.00 H new ATOM 64 N VAL A 6 -8.956 -5.191 -4.839 1.00 0.00 N ATOM 65 CA VAL A 6 -8.670 -6.424 -4.113 1.00 0.00 C ATOM 66 C VAL A 6 -9.956 -7.154 -3.743 1.00 0.00 C ATOM 67 O VAL A 6 -11.010 -6.536 -3.588 1.00 0.00 O ATOM 68 CB VAL A 6 -7.862 -6.146 -2.832 1.00 0.00 C ATOM 69 CG1 VAL A 6 -6.399 -5.900 -3.166 1.00 0.00 C ATOM 70 CG2 VAL A 6 -8.451 -4.963 -2.078 1.00 0.00 C ATOM 0 H VAL A 6 -8.482 -4.366 -4.472 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.077 -7.053 -4.777 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.920 -7.024 -2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.844 -5.705 -2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.986 -6.779 -3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.317 -5.039 -3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.868 -4.780 -1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.424 -4.077 -2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.483 -5.183 -1.805 1.00 0.00 H new ATOM 80 N SER A 7 -9.862 -8.472 -3.600 1.00 0.00 N ATOM 81 CA SER A 7 -11.019 -9.288 -3.250 1.00 0.00 C ATOM 82 C SER A 7 -11.453 -9.026 -1.812 1.00 0.00 C ATOM 83 O SER A 7 -10.775 -8.318 -1.067 1.00 0.00 O ATOM 84 CB SER A 7 -10.698 -10.772 -3.437 1.00 0.00 C ATOM 85 OG SER A 7 -9.417 -10.947 -4.017 1.00 0.00 O ATOM 0 H SER A 7 -8.996 -8.998 -3.721 1.00 0.00 H new ATOM 0 HA SER A 7 -11.840 -9.015 -3.913 1.00 0.00 H new ATOM 0 HB2 SER A 7 -10.737 -11.280 -2.473 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.454 -11.234 -4.072 1.00 0.00 H new ATOM 0 HG SER A 7 -9.235 -11.904 -4.125 1.00 0.00 H new ATOM 90 N ASP A 8 -12.587 -9.601 -1.429 1.00 0.00 N ATOM 91 CA ASP A 8 -13.112 -9.433 -0.079 1.00 0.00 C ATOM 92 C ASP A 8 -12.100 -9.902 0.962 1.00 0.00 C ATOM 93 O ASP A 8 -11.855 -9.219 1.954 1.00 0.00 O ATOM 94 CB ASP A 8 -14.423 -10.205 0.082 1.00 0.00 C ATOM 95 CG ASP A 8 -15.640 -9.310 -0.043 1.00 0.00 C ATOM 96 OD1 ASP A 8 -15.735 -8.326 0.719 1.00 0.00 O ATOM 97 OD2 ASP A 8 -16.499 -9.595 -0.904 1.00 0.00 O ATOM 0 H ASP A 8 -13.161 -10.188 -2.034 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.303 -8.372 0.079 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.474 -10.990 -0.672 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.435 -10.696 1.055 1.00 0.00 H new ATOM 101 N GLU A 9 -11.517 -11.074 0.725 1.00 0.00 N ATOM 102 CA GLU A 9 -10.533 -11.635 1.643 1.00 0.00 C ATOM 103 C GLU A 9 -9.416 -10.634 1.921 1.00 0.00 C ATOM 104 O GLU A 9 -9.195 -10.237 3.065 1.00 0.00 O ATOM 105 CB GLU A 9 -9.946 -12.926 1.069 1.00 0.00 C ATOM 106 CG GLU A 9 -10.685 -14.179 1.508 1.00 0.00 C ATOM 107 CD GLU A 9 -10.488 -14.487 2.980 1.00 0.00 C ATOM 108 OE1 GLU A 9 -11.475 -14.405 3.740 1.00 0.00 O ATOM 109 OE2 GLU A 9 -9.347 -14.810 3.371 1.00 0.00 O ATOM 0 H GLU A 9 -11.709 -11.652 -0.093 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.037 -11.860 2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.960 -12.869 -0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.902 -13.006 1.371 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.749 -14.059 1.305 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.341 -15.026 0.914 1.00 0.00 H new ATOM 114 N GLU A 10 -8.714 -10.232 0.867 1.00 0.00 N ATOM 115 CA GLU A 10 -7.618 -9.279 0.998 1.00 0.00 C ATOM 116 C GLU A 10 -8.128 -7.926 1.486 1.00 0.00 C ATOM 117 O GLU A 10 -7.750 -7.459 2.560 1.00 0.00 O ATOM 118 CB GLU A 10 -6.897 -9.110 -0.341 1.00 0.00 C ATOM 119 CG GLU A 10 -5.412 -9.428 -0.277 1.00 0.00 C ATOM 120 CD GLU A 10 -5.044 -10.656 -1.087 1.00 0.00 C ATOM 121 OE1 GLU A 10 -4.145 -11.405 -0.651 1.00 0.00 O ATOM 122 OE2 GLU A 10 -5.653 -10.867 -2.156 1.00 0.00 O ATOM 0 H GLU A 10 -8.884 -10.551 -0.087 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.917 -9.671 1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.367 -9.757 -1.081 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.026 -8.084 -0.687 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.845 -8.572 -0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.121 -9.582 0.762 1.00 0.00 H new ATOM 127 N MET A 11 -8.991 -7.302 0.690 1.00 0.00 N ATOM 128 CA MET A 11 -9.554 -6.005 1.042 1.00 0.00 C ATOM 129 C MET A 11 -9.825 -5.917 2.541 1.00 0.00 C ATOM 130 O MET A 11 -9.544 -4.899 3.173 1.00 0.00 O ATOM 131 CB MET A 11 -10.849 -5.758 0.264 1.00 0.00 C ATOM 132 CG MET A 11 -11.383 -4.342 0.407 1.00 0.00 C ATOM 133 SD MET A 11 -10.107 -3.090 0.172 1.00 0.00 S ATOM 134 CE MET A 11 -10.769 -2.191 -1.228 1.00 0.00 C ATOM 0 H MET A 11 -9.315 -7.674 -0.203 1.00 0.00 H new ATOM 0 HA MET A 11 -8.826 -5.238 0.776 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.675 -5.967 -0.791 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.609 -6.460 0.607 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.180 -4.184 -0.320 1.00 0.00 H new ATOM 0 HG3 MET A 11 -11.825 -4.223 1.396 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.090 -1.381 -1.494 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.878 -2.867 -2.076 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.743 -1.777 -0.967 1.00 0.00 H new ATOM 142 N MET A 12 -10.372 -6.990 3.102 1.00 0.00 N ATOM 143 CA MET A 12 -10.678 -7.034 4.528 1.00 0.00 C ATOM 144 C MET A 12 -9.399 -7.048 5.359 1.00 0.00 C ATOM 145 O MET A 12 -9.247 -6.261 6.292 1.00 0.00 O ATOM 146 CB MET A 12 -11.524 -8.267 4.851 1.00 0.00 C ATOM 147 CG MET A 12 -13.015 -8.052 4.642 1.00 0.00 C ATOM 148 SD MET A 12 -13.749 -7.002 5.910 1.00 0.00 S ATOM 149 CE MET A 12 -14.018 -8.192 7.222 1.00 0.00 C ATOM 0 H MET A 12 -10.612 -7.840 2.592 1.00 0.00 H new ATOM 0 HA MET A 12 -11.244 -6.137 4.781 1.00 0.00 H new ATOM 0 HB2 MET A 12 -11.194 -9.098 4.227 1.00 0.00 H new ATOM 0 HB3 MET A 12 -11.349 -8.557 5.887 1.00 0.00 H new ATOM 0 HG2 MET A 12 -13.180 -7.602 3.663 1.00 0.00 H new ATOM 0 HG3 MET A 12 -13.520 -9.018 4.638 1.00 0.00 H new ATOM 0 HE1 MET A 12 -14.469 -7.692 8.079 1.00 0.00 H new ATOM 0 HE2 MET A 12 -14.684 -8.979 6.869 1.00 0.00 H new ATOM 0 HE3 MET A 12 -13.064 -8.630 7.517 1.00 0.00 H new ATOM 157 N GLU A 13 -8.484 -7.949 5.014 1.00 0.00 N ATOM 158 CA GLU A 13 -7.220 -8.065 5.730 1.00 0.00 C ATOM 159 C GLU A 13 -6.353 -6.829 5.507 1.00 0.00 C ATOM 160 O GLU A 13 -5.997 -6.127 6.455 1.00 0.00 O ATOM 161 CB GLU A 13 -6.466 -9.318 5.280 1.00 0.00 C ATOM 162 CG GLU A 13 -6.111 -10.258 6.420 1.00 0.00 C ATOM 163 CD GLU A 13 -5.031 -11.252 6.042 1.00 0.00 C ATOM 164 OE1 GLU A 13 -4.870 -12.257 6.766 1.00 0.00 O ATOM 165 OE2 GLU A 13 -4.346 -11.026 5.022 1.00 0.00 O ATOM 0 H GLU A 13 -8.595 -8.608 4.244 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.441 -8.146 6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.074 -9.856 4.553 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.551 -9.017 4.770 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.777 -9.673 7.277 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.005 -10.799 6.731 1.00 0.00 H new ATOM 170 N LEU A 14 -6.014 -6.571 4.249 1.00 0.00 N ATOM 171 CA LEU A 14 -5.188 -5.420 3.900 1.00 0.00 C ATOM 172 C LEU A 14 -5.675 -4.163 4.614 1.00 0.00 C ATOM 173 O LEU A 14 -4.885 -3.428 5.205 1.00 0.00 O ATOM 174 CB LEU A 14 -5.202 -5.198 2.386 1.00 0.00 C ATOM 175 CG LEU A 14 -5.091 -6.455 1.522 1.00 0.00 C ATOM 176 CD1 LEU A 14 -4.980 -6.083 0.052 1.00 0.00 C ATOM 177 CD2 LEU A 14 -3.897 -7.295 1.954 1.00 0.00 C ATOM 0 H LEU A 14 -6.298 -7.143 3.454 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.167 -5.626 4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.125 -4.681 2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.379 -4.531 2.129 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.995 -7.048 1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.902 -6.990 -0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.866 -5.524 -0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.093 -5.469 -0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.833 -8.185 1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.983 -6.710 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.019 -7.591 2.996 1.00 0.00 H new ATOM 188 N ARG A 15 -6.982 -3.925 4.556 1.00 0.00 N ATOM 189 CA ARG A 15 -7.574 -2.757 5.199 1.00 0.00 C ATOM 190 C ARG A 15 -7.338 -2.788 6.706 1.00 0.00 C ATOM 191 O ARG A 15 -6.924 -1.792 7.298 1.00 0.00 O ATOM 192 CB ARG A 15 -9.074 -2.695 4.908 1.00 0.00 C ATOM 193 CG ARG A 15 -9.816 -1.670 5.749 1.00 0.00 C ATOM 194 CD ARG A 15 -10.976 -2.302 6.503 1.00 0.00 C ATOM 195 NE ARG A 15 -10.893 -2.056 7.940 1.00 0.00 N ATOM 196 CZ ARG A 15 -11.765 -2.536 8.819 1.00 0.00 C ATOM 197 NH1 ARG A 15 -12.782 -3.282 8.409 1.00 0.00 N ATOM 198 NH2 ARG A 15 -11.623 -2.270 10.111 1.00 0.00 N ATOM 0 H ARG A 15 -7.650 -4.524 4.071 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.094 -1.867 4.792 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.221 -2.462 3.853 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.510 -3.679 5.081 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.126 -1.212 6.458 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.190 -0.873 5.107 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.916 -1.905 6.121 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.986 -3.376 6.319 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.123 -1.484 8.288 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.896 -3.488 7.417 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.450 -3.650 9.086 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.843 -1.696 10.431 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.294 -2.640 10.785 1.00 0.00 H new ATOM 209 N GLU A 16 -7.605 -3.937 7.318 1.00 0.00 N ATOM 210 CA GLU A 16 -7.423 -4.096 8.756 1.00 0.00 C ATOM 211 C GLU A 16 -6.036 -3.625 9.184 1.00 0.00 C ATOM 212 O GLU A 16 -5.903 -2.711 9.997 1.00 0.00 O ATOM 213 CB GLU A 16 -7.625 -5.557 9.160 1.00 0.00 C ATOM 214 CG GLU A 16 -9.044 -5.878 9.597 1.00 0.00 C ATOM 215 CD GLU A 16 -9.320 -5.469 11.031 1.00 0.00 C ATOM 216 OE1 GLU A 16 -9.450 -6.367 11.888 1.00 0.00 O ATOM 217 OE2 GLU A 16 -9.405 -4.252 11.295 1.00 0.00 O ATOM 0 H GLU A 16 -7.948 -4.771 6.841 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.168 -3.481 9.261 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.359 -6.198 8.319 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.940 -5.798 9.973 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.747 -5.370 8.937 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.220 -6.948 9.488 1.00 0.00 H new ATOM 222 N ALA A 17 -5.007 -4.258 8.631 1.00 0.00 N ATOM 223 CA ALA A 17 -3.630 -3.903 8.954 1.00 0.00 C ATOM 224 C ALA A 17 -3.360 -2.431 8.664 1.00 0.00 C ATOM 225 O ALA A 17 -2.906 -1.689 9.535 1.00 0.00 O ATOM 226 CB ALA A 17 -2.662 -4.783 8.176 1.00 0.00 C ATOM 0 H ALA A 17 -5.100 -5.019 7.958 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.478 -4.069 10.020 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.638 -4.507 8.427 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.831 -5.828 8.436 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.824 -4.645 7.107 1.00 0.00 H new ATOM 232 N PHE A 18 -3.640 -2.014 7.433 1.00 0.00 N ATOM 233 CA PHE A 18 -3.425 -0.630 7.028 1.00 0.00 C ATOM 234 C PHE A 18 -3.867 0.334 8.125 1.00 0.00 C ATOM 235 O PHE A 18 -3.089 1.171 8.582 1.00 0.00 O ATOM 236 CB PHE A 18 -4.186 -0.332 5.734 1.00 0.00 C ATOM 237 CG PHE A 18 -3.990 1.071 5.233 1.00 0.00 C ATOM 238 CD1 PHE A 18 -3.216 1.319 4.111 1.00 0.00 C ATOM 239 CD2 PHE A 18 -4.580 2.142 5.886 1.00 0.00 C ATOM 240 CE1 PHE A 18 -3.035 2.608 3.647 1.00 0.00 C ATOM 241 CE2 PHE A 18 -4.401 3.434 5.427 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.628 3.667 4.308 1.00 0.00 C ATOM 0 H PHE A 18 -4.016 -2.615 6.699 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.358 -0.490 6.855 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.865 -1.033 4.963 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.249 -0.505 5.899 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.748 0.495 3.593 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.186 1.965 6.762 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.431 2.787 2.770 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.866 4.260 5.944 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.487 4.676 3.949 1.00 0.00 H new ATOM 251 N ALA A 19 -5.123 0.209 8.543 1.00 0.00 N ATOM 252 CA ALA A 19 -5.669 1.066 9.586 1.00 0.00 C ATOM 253 C ALA A 19 -4.751 1.102 10.804 1.00 0.00 C ATOM 254 O ALA A 19 -4.468 2.168 11.350 1.00 0.00 O ATOM 255 CB ALA A 19 -7.059 0.593 9.984 1.00 0.00 C ATOM 0 H ALA A 19 -5.781 -0.478 8.174 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.742 2.078 9.189 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.455 1.243 10.764 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.717 0.626 9.116 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.002 -0.429 10.357 1.00 0.00 H new ATOM 261 N LYS A 20 -4.291 -0.071 11.226 1.00 0.00 N ATOM 262 CA LYS A 20 -3.405 -0.175 12.379 1.00 0.00 C ATOM 263 C LYS A 20 -2.160 0.685 12.188 1.00 0.00 C ATOM 264 O LYS A 20 -1.543 1.127 13.158 1.00 0.00 O ATOM 265 CB LYS A 20 -3.001 -1.633 12.607 1.00 0.00 C ATOM 266 CG LYS A 20 -4.173 -2.599 12.591 1.00 0.00 C ATOM 267 CD LYS A 20 -4.172 -3.498 13.815 1.00 0.00 C ATOM 268 CE LYS A 20 -2.835 -4.202 13.989 1.00 0.00 C ATOM 269 NZ LYS A 20 -2.469 -5.002 12.788 1.00 0.00 N ATOM 0 H LYS A 20 -4.517 -0.963 10.786 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.944 0.187 13.254 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.287 -1.928 11.838 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.488 -1.713 13.565 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.107 -2.038 12.551 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.129 -3.210 11.690 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.390 -2.905 14.703 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.966 -4.240 13.724 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.058 -3.463 14.184 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.879 -4.855 14.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.624 -5.572 12.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.258 -5.631 12.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.269 -4.362 11.993 1.00 0.00 H new ATOM 279 N VAL A 21 -1.795 0.919 10.931 1.00 0.00 N ATOM 280 CA VAL A 21 -0.625 1.728 10.613 1.00 0.00 C ATOM 281 C VAL A 21 -1.031 3.072 10.019 1.00 0.00 C ATOM 282 O VAL A 21 -0.183 3.854 9.588 1.00 0.00 O ATOM 283 CB VAL A 21 0.307 1.003 9.622 1.00 0.00 C ATOM 284 CG1 VAL A 21 1.645 0.694 10.277 1.00 0.00 C ATOM 285 CG2 VAL A 21 -0.350 -0.269 9.107 1.00 0.00 C ATOM 0 H VAL A 21 -2.293 0.560 10.117 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.091 1.893 11.549 1.00 0.00 H new ATOM 0 HB VAL A 21 0.489 1.661 8.772 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.290 0.182 9.563 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.119 1.623 10.593 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.486 0.055 11.145 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.322 -0.768 8.409 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.562 -0.934 9.944 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.281 -0.018 8.598 1.00 0.00 H new ATOM 295 N ASP A 22 -2.333 3.335 10.000 1.00 0.00 N ATOM 296 CA ASP A 22 -2.853 4.586 9.461 1.00 0.00 C ATOM 297 C ASP A 22 -2.826 5.686 10.518 1.00 0.00 C ATOM 298 O ASP A 22 -3.846 5.997 11.133 1.00 0.00 O ATOM 299 CB ASP A 22 -4.280 4.391 8.946 1.00 0.00 C ATOM 300 CG ASP A 22 -4.971 5.706 8.643 1.00 0.00 C ATOM 301 OD1 ASP A 22 -4.266 6.687 8.323 1.00 0.00 O ATOM 302 OD2 ASP A 22 -6.215 5.754 8.723 1.00 0.00 O ATOM 0 H ASP A 22 -3.048 2.698 10.352 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.214 4.888 8.631 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.257 3.780 8.044 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.859 3.842 9.688 1.00 0.00 H new ATOM 306 N THR A 23 -1.651 6.273 10.724 1.00 0.00 N ATOM 307 CA THR A 23 -1.489 7.336 11.709 1.00 0.00 C ATOM 308 C THR A 23 -2.461 8.480 11.444 1.00 0.00 C ATOM 309 O THR A 23 -3.057 9.028 12.374 1.00 0.00 O ATOM 310 CB THR A 23 -0.052 7.889 11.708 1.00 0.00 C ATOM 311 OG1 THR A 23 0.224 8.535 10.461 1.00 0.00 O ATOM 312 CG2 THR A 23 0.956 6.773 11.941 1.00 0.00 C ATOM 0 H THR A 23 -0.797 6.030 10.222 1.00 0.00 H new ATOM 0 HA THR A 23 -1.701 6.899 12.685 1.00 0.00 H new ATOM 0 HB THR A 23 0.036 8.613 12.518 1.00 0.00 H new ATOM 0 HG1 THR A 23 1.139 8.885 10.470 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.964 7.187 11.936 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.761 6.302 12.905 1.00 0.00 H new ATOM 0 HG23 THR A 23 0.865 6.030 11.149 1.00 0.00 H new ATOM 320 N ASP A 24 -2.618 8.836 10.175 1.00 0.00 N ATOM 321 CA ASP A 24 -3.521 9.915 9.789 1.00 0.00 C ATOM 322 C ASP A 24 -4.958 9.588 10.181 1.00 0.00 C ATOM 323 O ASP A 24 -5.775 10.484 10.390 1.00 0.00 O ATOM 324 CB ASP A 24 -3.435 10.167 8.282 1.00 0.00 C ATOM 325 CG ASP A 24 -2.159 10.883 7.887 1.00 0.00 C ATOM 326 OD1 ASP A 24 -1.073 10.444 8.319 1.00 0.00 O ATOM 327 OD2 ASP A 24 -2.247 11.883 7.144 1.00 0.00 O ATOM 0 H ASP A 24 -2.132 8.394 9.395 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.216 10.817 10.319 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.493 9.215 7.754 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.294 10.760 7.966 1.00 0.00 H new ATOM 331 N GLY A 25 -5.261 8.297 10.280 1.00 0.00 N ATOM 332 CA GLY A 25 -6.600 7.875 10.646 1.00 0.00 C ATOM 333 C GLY A 25 -7.613 8.146 9.551 1.00 0.00 C ATOM 334 O GLY A 25 -8.808 7.913 9.730 1.00 0.00 O ATOM 0 H GLY A 25 -4.603 7.536 10.113 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.592 6.809 10.874 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.905 8.393 11.555 1.00 0.00 H new ATOM 338 N ASN A 26 -7.135 8.642 8.414 1.00 0.00 N ATOM 339 CA ASN A 26 -8.009 8.948 7.287 1.00 0.00 C ATOM 340 C ASN A 26 -7.707 8.036 6.102 1.00 0.00 C ATOM 341 O ASN A 26 -8.025 8.361 4.958 1.00 0.00 O ATOM 342 CB ASN A 26 -7.846 10.412 6.872 1.00 0.00 C ATOM 343 CG ASN A 26 -7.665 11.333 8.062 1.00 0.00 C ATOM 344 OD1 ASN A 26 -8.577 11.511 8.869 1.00 0.00 O ATOM 345 ND2 ASN A 26 -6.481 11.926 8.177 1.00 0.00 N ATOM 0 H ASN A 26 -6.148 8.840 8.249 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.039 8.778 7.601 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.985 10.505 6.210 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.722 10.725 6.303 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.300 12.557 8.958 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.753 11.750 7.485 1.00 0.00 H new ATOM 351 N GLY A 27 -7.092 6.891 6.384 1.00 0.00 N ATOM 352 CA GLY A 27 -6.758 5.950 5.333 1.00 0.00 C ATOM 353 C GLY A 27 -5.451 6.288 4.643 1.00 0.00 C ATOM 354 O GLY A 27 -5.274 6.003 3.459 1.00 0.00 O ATOM 0 H GLY A 27 -6.819 6.599 7.323 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.693 4.947 5.755 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.561 5.934 4.596 1.00 0.00 H new ATOM 358 N TYR A 28 -4.534 6.899 5.386 1.00 0.00 N ATOM 359 CA TYR A 28 -3.238 7.281 4.838 1.00 0.00 C ATOM 360 C TYR A 28 -2.102 6.706 5.676 1.00 0.00 C ATOM 361 O TYR A 28 -2.161 6.705 6.906 1.00 0.00 O ATOM 362 CB TYR A 28 -3.119 8.805 4.772 1.00 0.00 C ATOM 363 CG TYR A 28 -3.431 9.378 3.409 1.00 0.00 C ATOM 364 CD1 TYR A 28 -4.684 9.907 3.126 1.00 0.00 C ATOM 365 CD2 TYR A 28 -2.472 9.391 2.402 1.00 0.00 C ATOM 366 CE1 TYR A 28 -4.974 10.432 1.881 1.00 0.00 C ATOM 367 CE2 TYR A 28 -2.753 9.915 1.155 1.00 0.00 C ATOM 368 CZ TYR A 28 -4.005 10.434 0.900 1.00 0.00 C ATOM 369 OH TYR A 28 -4.289 10.956 -0.342 1.00 0.00 O ATOM 0 H TYR A 28 -4.664 7.140 6.369 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.163 6.873 3.830 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.794 9.246 5.505 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.107 9.095 5.056 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.445 9.908 3.892 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.491 8.985 2.598 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.954 10.838 1.678 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.996 9.918 0.384 1.00 0.00 H new ATOM 0 HH TYR A 28 -3.463 11.022 -0.866 1.00 0.00 H new ATOM 378 N ILE A 29 -1.066 6.218 5.002 1.00 0.00 N ATOM 379 CA ILE A 29 0.086 5.642 5.684 1.00 0.00 C ATOM 380 C ILE A 29 1.392 6.115 5.055 1.00 0.00 C ATOM 381 O ILE A 29 1.476 6.301 3.841 1.00 0.00 O ATOM 382 CB ILE A 29 0.045 4.102 5.657 1.00 0.00 C ATOM 383 CG1 ILE A 29 0.103 3.594 4.215 1.00 0.00 C ATOM 384 CG2 ILE A 29 -1.209 3.594 6.352 1.00 0.00 C ATOM 385 CD1 ILE A 29 0.277 2.096 4.108 1.00 0.00 C ATOM 0 H ILE A 29 -1.001 6.210 3.984 1.00 0.00 H new ATOM 0 HA ILE A 29 0.041 5.981 6.719 1.00 0.00 H new ATOM 0 HB ILE A 29 0.914 3.720 6.192 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.813 3.883 3.700 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.928 4.085 3.698 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.224 2.504 6.325 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.213 3.931 7.388 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.090 3.982 5.841 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.310 1.808 3.057 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.207 1.802 4.594 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.560 1.597 4.595 1.00 0.00 H new ATOM 396 N SER A 30 2.410 6.306 5.888 1.00 0.00 N ATOM 397 CA SER A 30 3.711 6.761 5.413 1.00 0.00 C ATOM 398 C SER A 30 4.493 5.608 4.788 1.00 0.00 C ATOM 399 O SER A 30 4.154 4.439 4.974 1.00 0.00 O ATOM 400 CB SER A 30 4.514 7.370 6.565 1.00 0.00 C ATOM 401 OG SER A 30 5.866 7.572 6.193 1.00 0.00 O ATOM 0 H SER A 30 2.359 6.153 6.895 1.00 0.00 H new ATOM 0 HA SER A 30 3.547 7.523 4.651 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.069 8.320 6.860 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.467 6.712 7.433 1.00 0.00 H new ATOM 0 HG SER A 30 6.357 7.963 6.945 1.00 0.00 H new ATOM 406 N PHE A 31 5.540 5.948 4.043 1.00 0.00 N ATOM 407 CA PHE A 31 6.371 4.944 3.388 1.00 0.00 C ATOM 408 C PHE A 31 6.700 3.803 4.346 1.00 0.00 C ATOM 409 O PHE A 31 6.393 2.643 4.074 1.00 0.00 O ATOM 410 CB PHE A 31 7.662 5.579 2.870 1.00 0.00 C ATOM 411 CG PHE A 31 7.672 5.791 1.384 1.00 0.00 C ATOM 412 CD1 PHE A 31 6.869 6.760 0.803 1.00 0.00 C ATOM 413 CD2 PHE A 31 8.482 5.020 0.565 1.00 0.00 C ATOM 414 CE1 PHE A 31 6.875 6.959 -0.564 1.00 0.00 C ATOM 415 CE2 PHE A 31 8.492 5.214 -0.803 1.00 0.00 C ATOM 416 CZ PHE A 31 7.687 6.184 -1.369 1.00 0.00 C ATOM 0 H PHE A 31 5.833 6.911 3.878 1.00 0.00 H new ATOM 0 HA PHE A 31 5.811 4.538 2.545 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.810 6.538 3.367 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.505 4.944 3.144 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.230 7.367 1.427 1.00 0.00 H new ATOM 0 HD2 PHE A 31 9.112 4.259 1.001 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.246 7.719 -1.003 1.00 0.00 H new ATOM 0 HE2 PHE A 31 9.129 4.608 -1.430 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.693 6.336 -2.438 1.00 0.00 H new ATOM 425 N ASN A 32 7.328 4.140 5.467 1.00 0.00 N ATOM 426 CA ASN A 32 7.701 3.144 6.465 1.00 0.00 C ATOM 427 C ASN A 32 6.492 2.313 6.881 1.00 0.00 C ATOM 428 O ASN A 32 6.563 1.086 6.945 1.00 0.00 O ATOM 429 CB ASN A 32 8.314 3.825 7.691 1.00 0.00 C ATOM 430 CG ASN A 32 9.717 4.337 7.427 1.00 0.00 C ATOM 431 OD1 ASN A 32 10.280 4.116 6.354 1.00 0.00 O ATOM 432 ND2 ASN A 32 10.290 5.025 8.408 1.00 0.00 N ATOM 0 H ASN A 32 7.590 5.096 5.708 1.00 0.00 H new ATOM 0 HA ASN A 32 8.441 2.479 6.020 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.679 4.656 7.997 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.338 3.119 8.521 1.00 0.00 H new ATOM 0 HD21 ASN A 32 11.233 5.394 8.289 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.787 5.184 9.281 1.00 0.00 H new ATOM 438 N GLU A 33 5.384 2.990 7.163 1.00 0.00 N ATOM 439 CA GLU A 33 4.160 2.314 7.574 1.00 0.00 C ATOM 440 C GLU A 33 3.697 1.329 6.504 1.00 0.00 C ATOM 441 O GLU A 33 3.240 0.227 6.813 1.00 0.00 O ATOM 442 CB GLU A 33 3.055 3.335 7.855 1.00 0.00 C ATOM 443 CG GLU A 33 3.422 4.348 8.926 1.00 0.00 C ATOM 444 CD GLU A 33 4.544 3.867 9.825 1.00 0.00 C ATOM 445 OE1 GLU A 33 5.674 4.384 9.693 1.00 0.00 O ATOM 446 OE2 GLU A 33 4.294 2.973 10.661 1.00 0.00 O ATOM 0 H GLU A 33 5.309 4.006 7.114 1.00 0.00 H new ATOM 0 HA GLU A 33 4.372 1.759 8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.817 3.864 6.932 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.152 2.806 8.161 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.718 5.283 8.450 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.543 4.564 9.533 1.00 0.00 H new ATOM 451 N LEU A 34 3.816 1.735 5.245 1.00 0.00 N ATOM 452 CA LEU A 34 3.410 0.889 4.127 1.00 0.00 C ATOM 453 C LEU A 34 4.141 -0.448 4.161 1.00 0.00 C ATOM 454 O LEU A 34 3.523 -1.500 4.322 1.00 0.00 O ATOM 455 CB LEU A 34 3.684 1.599 2.800 1.00 0.00 C ATOM 456 CG LEU A 34 3.811 0.699 1.571 1.00 0.00 C ATOM 457 CD1 LEU A 34 2.533 -0.100 1.360 1.00 0.00 C ATOM 458 CD2 LEU A 34 4.134 1.524 0.334 1.00 0.00 C ATOM 0 H LEU A 34 4.190 2.644 4.972 1.00 0.00 H new ATOM 0 HA LEU A 34 2.341 0.699 4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.881 2.314 2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.605 2.173 2.902 1.00 0.00 H new ATOM 0 HG LEU A 34 4.630 0.000 1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.642 -0.735 0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.344 -0.722 2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.697 0.583 1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.220 0.865 -0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.337 2.247 0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.076 2.051 0.484 1.00 0.00 H new ATOM 469 N ASN A 35 5.460 -0.399 4.012 1.00 0.00 N ATOM 470 CA ASN A 35 6.277 -1.608 4.029 1.00 0.00 C ATOM 471 C ASN A 35 5.902 -2.502 5.207 1.00 0.00 C ATOM 472 O ASN A 35 5.729 -3.711 5.053 1.00 0.00 O ATOM 473 CB ASN A 35 7.761 -1.245 4.101 1.00 0.00 C ATOM 474 CG ASN A 35 8.662 -2.441 3.855 1.00 0.00 C ATOM 475 OD1 ASN A 35 8.547 -3.119 2.834 1.00 0.00 O ATOM 476 ND2 ASN A 35 9.563 -2.704 4.794 1.00 0.00 N ATOM 0 H ASN A 35 5.987 0.464 3.878 1.00 0.00 H new ATOM 0 HA ASN A 35 6.089 -2.156 3.106 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.979 -0.472 3.364 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.982 -0.823 5.081 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.197 -3.496 4.685 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.622 -2.114 5.624 1.00 0.00 H new ATOM 482 N ASP A 36 5.780 -1.898 6.384 1.00 0.00 N ATOM 483 CA ASP A 36 5.424 -2.638 7.590 1.00 0.00 C ATOM 484 C ASP A 36 4.036 -3.257 7.458 1.00 0.00 C ATOM 485 O ASP A 36 3.796 -4.374 7.920 1.00 0.00 O ATOM 486 CB ASP A 36 5.472 -1.718 8.811 1.00 0.00 C ATOM 487 CG ASP A 36 6.751 -1.880 9.608 1.00 0.00 C ATOM 488 OD1 ASP A 36 6.863 -2.875 10.355 1.00 0.00 O ATOM 489 OD2 ASP A 36 7.641 -1.014 9.485 1.00 0.00 O ATOM 0 H ASP A 36 5.922 -0.898 6.529 1.00 0.00 H new ATOM 0 HA ASP A 36 6.149 -3.441 7.721 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.379 -0.682 8.485 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.617 -1.928 9.454 1.00 0.00 H new ATOM 493 N LEU A 37 3.125 -2.525 6.826 1.00 0.00 N ATOM 494 CA LEU A 37 1.759 -3.001 6.634 1.00 0.00 C ATOM 495 C LEU A 37 1.735 -4.236 5.739 1.00 0.00 C ATOM 496 O LEU A 37 0.991 -5.185 5.992 1.00 0.00 O ATOM 497 CB LEU A 37 0.895 -1.897 6.023 1.00 0.00 C ATOM 498 CG LEU A 37 -0.236 -2.362 5.105 1.00 0.00 C ATOM 499 CD1 LEU A 37 -1.150 -3.336 5.832 1.00 0.00 C ATOM 500 CD2 LEU A 37 -1.027 -1.170 4.588 1.00 0.00 C ATOM 0 H LEU A 37 3.307 -1.600 6.438 1.00 0.00 H new ATOM 0 HA LEU A 37 1.354 -3.273 7.609 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.461 -1.312 6.834 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.543 -1.227 5.458 1.00 0.00 H new ATOM 0 HG LEU A 37 0.204 -2.878 4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.948 -3.655 5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.575 -4.205 6.151 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.583 -2.847 6.705 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.828 -1.520 3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.456 -0.625 5.429 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.365 -0.510 4.027 1.00 0.00 H new ATOM 511 N PHE A 38 2.554 -4.220 4.694 1.00 0.00 N ATOM 512 CA PHE A 38 2.627 -5.338 3.761 1.00 0.00 C ATOM 513 C PHE A 38 2.979 -6.632 4.491 1.00 0.00 C ATOM 514 O PHE A 38 2.259 -7.626 4.398 1.00 0.00 O ATOM 515 CB PHE A 38 3.665 -5.055 2.672 1.00 0.00 C ATOM 516 CG PHE A 38 3.061 -4.830 1.314 1.00 0.00 C ATOM 517 CD1 PHE A 38 3.004 -5.858 0.388 1.00 0.00 C ATOM 518 CD2 PHE A 38 2.553 -3.589 0.965 1.00 0.00 C ATOM 519 CE1 PHE A 38 2.450 -5.655 -0.862 1.00 0.00 C ATOM 520 CE2 PHE A 38 1.998 -3.379 -0.282 1.00 0.00 C ATOM 521 CZ PHE A 38 1.946 -4.412 -1.198 1.00 0.00 C ATOM 0 H PHE A 38 3.178 -3.444 4.471 1.00 0.00 H new ATOM 0 HA PHE A 38 1.648 -5.457 3.297 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.245 -4.176 2.953 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.361 -5.892 2.618 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.397 -6.830 0.646 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.592 -2.777 1.676 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.411 -6.466 -1.575 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.605 -2.407 -0.541 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.513 -4.249 -2.174 1.00 0.00 H new ATOM 530 N LYS A 39 4.092 -6.611 5.216 1.00 0.00 N ATOM 531 CA LYS A 39 4.541 -7.780 5.963 1.00 0.00 C ATOM 532 C LYS A 39 3.608 -8.068 7.135 1.00 0.00 C ATOM 533 O LYS A 39 3.337 -9.225 7.455 1.00 0.00 O ATOM 534 CB LYS A 39 5.968 -7.567 6.472 1.00 0.00 C ATOM 535 CG LYS A 39 6.905 -6.979 5.432 1.00 0.00 C ATOM 536 CD LYS A 39 8.361 -7.212 5.796 1.00 0.00 C ATOM 537 CE LYS A 39 9.243 -7.265 4.558 1.00 0.00 C ATOM 538 NZ LYS A 39 9.023 -8.511 3.773 1.00 0.00 N ATOM 0 H LYS A 39 4.700 -5.797 5.302 1.00 0.00 H new ATOM 0 HA LYS A 39 4.526 -8.638 5.291 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.941 -6.906 7.338 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.370 -8.522 6.812 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.696 -7.425 4.460 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.720 -5.909 5.338 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.705 -6.415 6.455 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.454 -8.146 6.350 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.038 -6.399 3.929 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.290 -7.203 4.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.931 -8.848 3.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.612 -9.241 4.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.372 -8.315 2.986 1.00 0.00 H new ATOM 548 N ALA A 40 3.121 -7.008 7.771 1.00 0.00 N ATOM 549 CA ALA A 40 2.216 -7.148 8.905 1.00 0.00 C ATOM 550 C ALA A 40 0.923 -7.844 8.495 1.00 0.00 C ATOM 551 O ALA A 40 0.307 -8.551 9.290 1.00 0.00 O ATOM 552 CB ALA A 40 1.914 -5.785 9.512 1.00 0.00 C ATOM 0 H ALA A 40 3.338 -6.043 7.520 1.00 0.00 H new ATOM 0 HA ALA A 40 2.708 -7.767 9.655 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.237 -5.905 10.358 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.842 -5.325 9.852 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.447 -5.148 8.761 1.00 0.00 H new ATOM 558 N ALA A 41 0.517 -7.637 7.246 1.00 0.00 N ATOM 559 CA ALA A 41 -0.702 -8.246 6.728 1.00 0.00 C ATOM 560 C ALA A 41 -0.400 -9.558 6.012 1.00 0.00 C ATOM 561 O ALA A 41 -1.213 -10.050 5.230 1.00 0.00 O ATOM 562 CB ALA A 41 -1.417 -7.284 5.791 1.00 0.00 C ATOM 0 H ALA A 41 1.015 -7.052 6.575 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.355 -8.465 7.573 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.325 -7.753 5.412 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.677 -6.374 6.332 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.762 -7.035 4.956 1.00 0.00 H new ATOM 568 N CYS A 42 0.773 -10.118 6.286 1.00 0.00 N ATOM 569 CA CYS A 42 1.183 -11.374 5.666 1.00 0.00 C ATOM 570 C CYS A 42 1.037 -11.305 4.149 1.00 0.00 C ATOM 571 O CYS A 42 0.307 -12.096 3.548 1.00 0.00 O ATOM 572 CB CYS A 42 0.354 -12.534 6.218 1.00 0.00 C ATOM 573 SG CYS A 42 1.129 -14.155 6.016 1.00 0.00 S ATOM 0 H CYS A 42 1.456 -9.723 6.932 1.00 0.00 H new ATOM 0 HA CYS A 42 2.233 -11.542 5.904 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.168 -12.362 7.278 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.616 -12.542 5.721 1.00 0.00 H new ATOM 0 HG CYS A 42 0.354 -15.072 6.515 1.00 0.00 H new ATOM 578 N LEU A 43 1.731 -10.352 3.536 1.00 0.00 N ATOM 579 CA LEU A 43 1.677 -10.178 2.088 1.00 0.00 C ATOM 580 C LEU A 43 2.624 -11.147 1.388 1.00 0.00 C ATOM 581 O LEU A 43 3.641 -11.567 1.940 1.00 0.00 O ATOM 582 CB LEU A 43 2.034 -8.738 1.715 1.00 0.00 C ATOM 583 CG LEU A 43 0.875 -7.741 1.704 1.00 0.00 C ATOM 584 CD1 LEU A 43 0.271 -7.639 0.312 1.00 0.00 C ATOM 585 CD2 LEU A 43 -0.185 -8.143 2.719 1.00 0.00 C ATOM 0 H LEU A 43 2.337 -9.688 4.018 1.00 0.00 H new ATOM 0 HA LEU A 43 0.660 -10.391 1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.789 -8.379 2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.492 -8.743 0.726 1.00 0.00 H new ATOM 0 HG LEU A 43 1.262 -6.761 1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.552 -6.925 0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.033 -7.303 -0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.101 -8.616 0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.002 -7.422 2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.568 -9.133 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.255 -8.162 3.716 1.00 0.00 H new ATOM 596 N PRO A 44 2.285 -11.509 0.141 1.00 0.00 N ATOM 597 CA PRO A 44 3.093 -12.431 -0.662 1.00 0.00 C ATOM 598 C PRO A 44 4.417 -11.811 -1.099 1.00 0.00 C ATOM 599 O PRO A 44 5.474 -12.432 -0.978 1.00 0.00 O ATOM 600 CB PRO A 44 2.207 -12.710 -1.880 1.00 0.00 C ATOM 601 CG PRO A 44 1.325 -11.514 -1.988 1.00 0.00 C ATOM 602 CD PRO A 44 1.086 -11.047 -0.578 1.00 0.00 C ATOM 0 HA PRO A 44 3.368 -13.325 -0.103 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.804 -12.844 -2.782 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.624 -13.621 -1.745 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.798 -10.733 -2.583 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.386 -11.765 -2.481 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.979 -9.964 -0.526 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.176 -11.478 -0.161 1.00 0.00 H new ATOM 607 N LEU A 45 4.353 -10.585 -1.604 1.00 0.00 N ATOM 608 CA LEU A 45 5.548 -9.881 -2.056 1.00 0.00 C ATOM 609 C LEU A 45 6.567 -9.758 -0.929 1.00 0.00 C ATOM 610 O LEU A 45 6.219 -9.620 0.244 1.00 0.00 O ATOM 611 CB LEU A 45 5.178 -8.491 -2.579 1.00 0.00 C ATOM 612 CG LEU A 45 4.138 -8.451 -3.699 1.00 0.00 C ATOM 613 CD1 LEU A 45 4.406 -7.280 -4.633 1.00 0.00 C ATOM 614 CD2 LEU A 45 4.135 -9.761 -4.472 1.00 0.00 C ATOM 0 H LEU A 45 3.487 -10.057 -1.711 1.00 0.00 H new ATOM 0 HA LEU A 45 5.996 -10.459 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.806 -7.897 -1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.086 -8.005 -2.936 1.00 0.00 H new ATOM 0 HG LEU A 45 3.154 -8.315 -3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.656 -7.267 -5.424 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.357 -6.347 -4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.397 -7.386 -5.074 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.389 -9.714 -5.265 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.119 -9.927 -4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.895 -10.582 -3.796 1.00 0.00 H new ATOM 625 N PRO A 46 7.858 -9.806 -1.291 1.00 0.00 N ATOM 626 CA PRO A 46 8.955 -9.699 -0.324 1.00 0.00 C ATOM 627 C PRO A 46 9.072 -8.298 0.267 1.00 0.00 C ATOM 628 O PRO A 46 8.189 -7.462 0.086 1.00 0.00 O ATOM 629 CB PRO A 46 10.196 -10.034 -1.157 1.00 0.00 C ATOM 630 CG PRO A 46 9.818 -9.685 -2.555 1.00 0.00 C ATOM 631 CD PRO A 46 8.347 -9.969 -2.670 1.00 0.00 C ATOM 0 HA PRO A 46 8.809 -10.357 0.532 1.00 0.00 H new ATOM 0 HB2 PRO A 46 11.062 -9.461 -0.826 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.459 -11.088 -1.069 1.00 0.00 H new ATOM 0 HG2 PRO A 46 10.031 -8.637 -2.767 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.387 -10.277 -3.272 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.857 -9.277 -3.354 1.00 0.00 H new ATOM 0 HD3 PRO A 46 8.160 -10.975 -3.046 1.00 0.00 H new ATOM 636 N GLY A 47 10.171 -8.049 0.975 1.00 0.00 N ATOM 637 CA GLY A 47 10.383 -6.748 1.582 1.00 0.00 C ATOM 638 C GLY A 47 10.913 -5.728 0.595 1.00 0.00 C ATOM 639 O GLY A 47 10.508 -4.566 0.614 1.00 0.00 O ATOM 0 H GLY A 47 10.917 -8.725 1.138 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.443 -6.389 2.002 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.085 -6.847 2.410 1.00 0.00 H new ATOM 643 N TYR A 48 11.824 -6.162 -0.271 1.00 0.00 N ATOM 644 CA TYR A 48 12.414 -5.277 -1.267 1.00 0.00 C ATOM 645 C TYR A 48 11.385 -4.881 -2.322 1.00 0.00 C ATOM 646 O TYR A 48 11.379 -3.750 -2.808 1.00 0.00 O ATOM 647 CB TYR A 48 13.612 -5.953 -1.935 1.00 0.00 C ATOM 648 CG TYR A 48 13.240 -7.159 -2.767 1.00 0.00 C ATOM 649 CD1 TYR A 48 13.273 -8.438 -2.224 1.00 0.00 C ATOM 650 CD2 TYR A 48 12.858 -7.022 -4.095 1.00 0.00 C ATOM 651 CE1 TYR A 48 12.934 -9.544 -2.980 1.00 0.00 C ATOM 652 CE2 TYR A 48 12.517 -8.121 -4.859 1.00 0.00 C ATOM 653 CZ TYR A 48 12.557 -9.381 -4.296 1.00 0.00 C ATOM 654 OH TYR A 48 12.219 -10.479 -5.053 1.00 0.00 O ATOM 0 H TYR A 48 12.169 -7.121 -0.302 1.00 0.00 H new ATOM 0 HA TYR A 48 12.752 -4.374 -0.759 1.00 0.00 H new ATOM 0 HB2 TYR A 48 14.121 -5.227 -2.569 1.00 0.00 H new ATOM 0 HB3 TYR A 48 14.322 -6.257 -1.166 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.569 -8.570 -1.194 1.00 0.00 H new ATOM 0 HD2 TYR A 48 12.827 -6.038 -4.539 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.964 -10.531 -2.542 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.221 -7.996 -5.890 1.00 0.00 H new ATOM 0 HH TYR A 48 11.977 -10.191 -5.958 1.00 0.00 H new ATOM 663 N ARG A 49 10.516 -5.824 -2.674 1.00 0.00 N ATOM 664 CA ARG A 49 9.482 -5.576 -3.672 1.00 0.00 C ATOM 665 C ARG A 49 8.622 -4.379 -3.278 1.00 0.00 C ATOM 666 O ARG A 49 8.429 -3.453 -4.067 1.00 0.00 O ATOM 667 CB ARG A 49 8.602 -6.816 -3.844 1.00 0.00 C ATOM 668 CG ARG A 49 9.004 -7.689 -5.020 1.00 0.00 C ATOM 669 CD ARG A 49 7.940 -7.683 -6.108 1.00 0.00 C ATOM 670 NE ARG A 49 7.491 -9.032 -6.441 1.00 0.00 N ATOM 671 CZ ARG A 49 6.419 -9.287 -7.182 1.00 0.00 C ATOM 672 NH1 ARG A 49 5.690 -8.290 -7.665 1.00 0.00 N ATOM 673 NH2 ARG A 49 6.074 -10.541 -7.443 1.00 0.00 N ATOM 0 H ARG A 49 10.508 -6.766 -2.283 1.00 0.00 H new ATOM 0 HA ARG A 49 9.972 -5.353 -4.619 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.643 -7.410 -2.931 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.566 -6.501 -3.973 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.949 -7.334 -5.432 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.169 -8.710 -4.677 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.088 -7.088 -5.779 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.338 -7.202 -7.002 1.00 0.00 H new ATOM 0 HE ARG A 49 8.030 -9.821 -6.085 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.952 -7.324 -7.468 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.867 -8.489 -8.234 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.632 -11.311 -7.074 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.250 -10.735 -8.012 1.00 0.00 H new ATOM 684 N VAL A 50 8.107 -4.403 -2.053 1.00 0.00 N ATOM 685 CA VAL A 50 7.269 -3.320 -1.553 1.00 0.00 C ATOM 686 C VAL A 50 8.049 -2.013 -1.472 1.00 0.00 C ATOM 687 O VAL A 50 7.657 -1.006 -2.061 1.00 0.00 O ATOM 688 CB VAL A 50 6.695 -3.650 -0.163 1.00 0.00 C ATOM 689 CG1 VAL A 50 5.773 -2.537 0.312 1.00 0.00 C ATOM 690 CG2 VAL A 50 5.963 -4.983 -0.192 1.00 0.00 C ATOM 0 H VAL A 50 8.256 -5.162 -1.388 1.00 0.00 H new ATOM 0 HA VAL A 50 6.447 -3.205 -2.259 1.00 0.00 H new ATOM 0 HB VAL A 50 7.522 -3.730 0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.377 -2.788 1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.332 -1.603 0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.949 -2.422 -0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.564 -5.200 0.799 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.145 -4.933 -0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.655 -5.772 -0.485 1.00 0.00 H new ATOM 700 N ARG A 51 9.157 -2.037 -0.738 1.00 0.00 N ATOM 701 CA ARG A 51 9.994 -0.853 -0.579 1.00 0.00 C ATOM 702 C ARG A 51 10.386 -0.278 -1.937 1.00 0.00 C ATOM 703 O ARG A 51 10.453 0.939 -2.110 1.00 0.00 O ATOM 704 CB ARG A 51 11.250 -1.195 0.224 1.00 0.00 C ATOM 705 CG ARG A 51 12.170 -0.006 0.450 1.00 0.00 C ATOM 706 CD ARG A 51 13.589 -0.304 -0.010 1.00 0.00 C ATOM 707 NE ARG A 51 14.116 0.748 -0.876 1.00 0.00 N ATOM 708 CZ ARG A 51 15.411 0.927 -1.110 1.00 0.00 C ATOM 709 NH1 ARG A 51 16.307 0.129 -0.545 1.00 0.00 N ATOM 710 NH2 ARG A 51 15.812 1.907 -1.910 1.00 0.00 N ATOM 0 H ARG A 51 9.496 -2.863 -0.244 1.00 0.00 H new ATOM 0 HA ARG A 51 9.419 -0.102 -0.038 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.953 -1.603 1.190 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.802 -1.977 -0.297 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.786 0.860 -0.089 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.177 0.254 1.508 1.00 0.00 H new ATOM 0 HD2 ARG A 51 14.236 -0.416 0.860 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.605 -1.255 -0.543 1.00 0.00 H new ATOM 0 HE ARG A 51 13.453 1.380 -1.326 1.00 0.00 H new ATOM 0 HH11 ARG A 51 16.002 -0.625 0.071 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.301 0.269 -0.727 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.126 2.523 -2.345 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.807 2.044 -2.089 1.00 0.00 H new ATOM 721 N GLU A 52 10.644 -1.161 -2.896 1.00 0.00 N ATOM 722 CA GLU A 52 11.029 -0.739 -4.238 1.00 0.00 C ATOM 723 C GLU A 52 9.848 -0.115 -4.974 1.00 0.00 C ATOM 724 O GLU A 52 9.941 0.998 -5.489 1.00 0.00 O ATOM 725 CB GLU A 52 11.570 -1.929 -5.034 1.00 0.00 C ATOM 726 CG GLU A 52 12.102 -1.552 -6.406 1.00 0.00 C ATOM 727 CD GLU A 52 13.046 -2.594 -6.973 1.00 0.00 C ATOM 728 OE1 GLU A 52 13.749 -3.253 -6.178 1.00 0.00 O ATOM 729 OE2 GLU A 52 13.082 -2.752 -8.212 1.00 0.00 O ATOM 0 H GLU A 52 10.594 -2.172 -2.769 1.00 0.00 H new ATOM 0 HA GLU A 52 11.812 0.013 -4.144 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.367 -2.405 -4.463 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.777 -2.667 -5.151 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.265 -1.415 -7.091 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.620 -0.595 -6.340 1.00 0.00 H new ATOM 734 N ILE A 53 8.736 -0.843 -5.020 1.00 0.00 N ATOM 735 CA ILE A 53 7.536 -0.361 -5.692 1.00 0.00 C ATOM 736 C ILE A 53 7.190 1.056 -5.249 1.00 0.00 C ATOM 737 O ILE A 53 6.790 1.892 -6.060 1.00 0.00 O ATOM 738 CB ILE A 53 6.331 -1.281 -5.420 1.00 0.00 C ATOM 739 CG1 ILE A 53 6.542 -2.644 -6.083 1.00 0.00 C ATOM 740 CG2 ILE A 53 5.048 -0.635 -5.922 1.00 0.00 C ATOM 741 CD1 ILE A 53 5.854 -3.781 -5.359 1.00 0.00 C ATOM 0 H ILE A 53 8.642 -1.768 -4.600 1.00 0.00 H new ATOM 0 HA ILE A 53 7.750 -0.363 -6.761 1.00 0.00 H new ATOM 0 HB ILE A 53 6.243 -1.431 -4.344 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.174 -2.601 -7.108 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.611 -2.852 -6.136 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.205 -1.297 -5.723 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.893 0.314 -5.409 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.125 -0.459 -6.995 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.046 -4.716 -5.884 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.239 -3.850 -4.342 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.780 -3.596 -5.329 1.00 0.00 H new ATOM 752 N THR A 54 7.346 1.321 -3.956 1.00 0.00 N ATOM 753 CA THR A 54 7.051 2.638 -3.405 1.00 0.00 C ATOM 754 C THR A 54 8.100 3.659 -3.828 1.00 0.00 C ATOM 755 O THR A 54 7.777 4.672 -4.448 1.00 0.00 O ATOM 756 CB THR A 54 6.979 2.599 -1.866 1.00 0.00 C ATOM 757 OG1 THR A 54 6.710 1.265 -1.421 1.00 0.00 O ATOM 758 CG2 THR A 54 5.900 3.538 -1.350 1.00 0.00 C ATOM 0 H THR A 54 7.675 0.641 -3.271 1.00 0.00 H new ATOM 0 HA THR A 54 6.080 2.936 -3.800 1.00 0.00 H new ATOM 0 HB THR A 54 7.941 2.926 -1.472 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.497 0.703 -1.578 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.869 3.493 -0.261 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.124 4.557 -1.665 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.933 3.238 -1.754 1.00 0.00 H new ATOM 766 N GLU A 55 9.356 3.386 -3.488 1.00 0.00 N ATOM 767 CA GLU A 55 10.452 4.283 -3.834 1.00 0.00 C ATOM 768 C GLU A 55 10.435 4.614 -5.324 1.00 0.00 C ATOM 769 O GLU A 55 10.792 5.720 -5.728 1.00 0.00 O ATOM 770 CB GLU A 55 11.794 3.654 -3.456 1.00 0.00 C ATOM 771 CG GLU A 55 12.556 4.433 -2.397 1.00 0.00 C ATOM 772 CD GLU A 55 13.662 5.288 -2.984 1.00 0.00 C ATOM 773 OE1 GLU A 55 13.648 6.515 -2.756 1.00 0.00 O ATOM 774 OE2 GLU A 55 14.543 4.729 -3.671 1.00 0.00 O ATOM 0 H GLU A 55 9.639 2.552 -2.974 1.00 0.00 H new ATOM 0 HA GLU A 55 10.321 5.208 -3.272 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.621 2.640 -3.095 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.412 3.573 -4.350 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.861 5.070 -1.850 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.984 3.736 -1.677 1.00 0.00 H new ATOM 779 N ASN A 56 10.017 3.647 -6.134 1.00 0.00 N ATOM 780 CA ASN A 56 9.954 3.835 -7.579 1.00 0.00 C ATOM 781 C ASN A 56 8.615 4.439 -7.991 1.00 0.00 C ATOM 782 O ASN A 56 8.496 5.043 -9.058 1.00 0.00 O ATOM 783 CB ASN A 56 10.168 2.502 -8.298 1.00 0.00 C ATOM 784 CG ASN A 56 10.372 2.675 -9.790 1.00 0.00 C ATOM 785 OD1 ASN A 56 11.280 3.382 -10.226 1.00 0.00 O ATOM 786 ND2 ASN A 56 9.523 2.029 -10.582 1.00 0.00 N ATOM 0 H ASN A 56 9.717 2.726 -5.815 1.00 0.00 H new ATOM 0 HA ASN A 56 10.747 4.525 -7.865 1.00 0.00 H new ATOM 0 HB2 ASN A 56 11.035 1.998 -7.872 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.307 1.857 -8.124 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.610 2.109 -11.595 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.785 1.454 -10.177 1.00 0.00 H new ATOM 792 N LEU A 57 7.609 4.270 -7.140 1.00 0.00 N ATOM 793 CA LEU A 57 6.277 4.797 -7.414 1.00 0.00 C ATOM 794 C LEU A 57 6.299 6.321 -7.487 1.00 0.00 C ATOM 795 O LEU A 57 5.953 6.908 -8.513 1.00 0.00 O ATOM 796 CB LEU A 57 5.294 4.343 -6.334 1.00 0.00 C ATOM 797 CG LEU A 57 4.269 3.292 -6.760 1.00 0.00 C ATOM 798 CD1 LEU A 57 3.339 2.953 -5.604 1.00 0.00 C ATOM 799 CD2 LEU A 57 3.472 3.780 -7.961 1.00 0.00 C ATOM 0 H LEU A 57 7.691 3.772 -6.254 1.00 0.00 H new ATOM 0 HA LEU A 57 5.952 4.409 -8.379 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.865 3.946 -5.495 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.757 5.218 -5.968 1.00 0.00 H new ATOM 0 HG LEU A 57 4.804 2.387 -7.047 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.616 2.203 -5.926 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.922 2.560 -4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.811 3.852 -5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.747 3.019 -8.250 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.948 4.700 -7.701 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.149 3.971 -8.794 1.00 0.00 H new ATOM 810 N MET A 58 6.712 6.955 -6.395 1.00 0.00 N ATOM 811 CA MET A 58 6.784 8.411 -6.338 1.00 0.00 C ATOM 812 C MET A 58 8.094 8.914 -6.934 1.00 0.00 C ATOM 813 O MET A 58 8.282 10.117 -7.116 1.00 0.00 O ATOM 814 CB MET A 58 6.648 8.892 -4.892 1.00 0.00 C ATOM 815 CG MET A 58 7.660 8.265 -3.946 1.00 0.00 C ATOM 816 SD MET A 58 9.041 9.363 -3.577 1.00 0.00 S ATOM 817 CE MET A 58 9.106 9.238 -1.791 1.00 0.00 C ATOM 0 H MET A 58 7.002 6.484 -5.538 1.00 0.00 H new ATOM 0 HA MET A 58 5.960 8.815 -6.926 1.00 0.00 H new ATOM 0 HB2 MET A 58 6.761 9.976 -4.866 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.642 8.668 -4.536 1.00 0.00 H new ATOM 0 HG2 MET A 58 7.161 7.991 -3.017 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.041 7.344 -4.387 1.00 0.00 H new ATOM 0 HE1 MET A 58 9.733 10.036 -1.393 1.00 0.00 H new ATOM 0 HE2 MET A 58 8.099 9.329 -1.383 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.526 8.272 -1.509 1.00 0.00 H new ATOM 825 N ALA A 59 8.997 7.987 -7.236 1.00 0.00 N ATOM 826 CA ALA A 59 10.289 8.338 -7.814 1.00 0.00 C ATOM 827 C ALA A 59 10.126 9.337 -8.955 1.00 0.00 C ATOM 828 O ALA A 59 11.034 10.116 -9.245 1.00 0.00 O ATOM 829 CB ALA A 59 11.006 7.088 -8.301 1.00 0.00 C ATOM 0 H ALA A 59 8.858 6.987 -7.090 1.00 0.00 H new ATOM 0 HA ALA A 59 10.892 8.809 -7.037 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.969 7.365 -8.730 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.164 6.409 -7.463 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.400 6.593 -9.060 1.00 0.00 H new ATOM 835 N THR A 60 8.965 9.308 -9.601 1.00 0.00 N ATOM 836 CA THR A 60 8.685 10.208 -10.711 1.00 0.00 C ATOM 837 C THR A 60 7.731 11.320 -10.291 1.00 0.00 C ATOM 838 O THR A 60 8.055 12.502 -10.395 1.00 0.00 O ATOM 839 CB THR A 60 8.078 9.452 -11.909 1.00 0.00 C ATOM 840 OG1 THR A 60 7.195 8.426 -11.443 1.00 0.00 O ATOM 841 CG2 THR A 60 9.170 8.836 -12.770 1.00 0.00 C ATOM 0 H THR A 60 8.203 8.670 -9.374 1.00 0.00 H new ATOM 0 HA THR A 60 9.638 10.644 -11.011 1.00 0.00 H new ATOM 0 HB THR A 60 7.519 10.165 -12.515 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.812 7.951 -12.210 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.717 8.308 -13.609 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.824 9.623 -13.147 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.753 8.135 -12.172 1.00 0.00 H new ATOM 849 N GLY A 61 6.552 10.933 -9.813 1.00 0.00 N ATOM 850 CA GLY A 61 5.569 11.910 -9.383 1.00 0.00 C ATOM 851 C GLY A 61 4.238 11.276 -9.028 1.00 0.00 C ATOM 852 O GLY A 61 3.183 11.774 -9.418 1.00 0.00 O ATOM 0 H GLY A 61 6.260 9.960 -9.716 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.953 12.450 -8.518 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.419 12.643 -10.176 1.00 0.00 H new ATOM 856 N ASP A 62 4.290 10.175 -8.286 1.00 0.00 N ATOM 857 CA ASP A 62 3.079 9.471 -7.878 1.00 0.00 C ATOM 858 C ASP A 62 2.593 9.969 -6.521 1.00 0.00 C ATOM 859 O ASP A 62 1.441 10.381 -6.375 1.00 0.00 O ATOM 860 CB ASP A 62 3.334 7.965 -7.821 1.00 0.00 C ATOM 861 CG ASP A 62 3.293 7.318 -9.191 1.00 0.00 C ATOM 862 OD1 ASP A 62 2.487 6.384 -9.383 1.00 0.00 O ATOM 863 OD2 ASP A 62 4.068 7.747 -10.072 1.00 0.00 O ATOM 0 H ASP A 62 5.157 9.751 -7.955 1.00 0.00 H new ATOM 0 HA ASP A 62 2.304 9.672 -8.618 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.307 7.781 -7.365 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.587 7.497 -7.179 1.00 0.00 H new ATOM 867 N LEU A 63 3.476 9.929 -5.530 1.00 0.00 N ATOM 868 CA LEU A 63 3.137 10.375 -4.184 1.00 0.00 C ATOM 869 C LEU A 63 3.616 11.804 -3.947 1.00 0.00 C ATOM 870 O LEU A 63 3.726 12.251 -2.805 1.00 0.00 O ATOM 871 CB LEU A 63 3.756 9.438 -3.144 1.00 0.00 C ATOM 872 CG LEU A 63 3.370 7.963 -3.256 1.00 0.00 C ATOM 873 CD1 LEU A 63 3.132 7.583 -4.709 1.00 0.00 C ATOM 874 CD2 LEU A 63 4.448 7.082 -2.642 1.00 0.00 C ATOM 0 H LEU A 63 4.433 9.592 -5.634 1.00 0.00 H new ATOM 0 HA LEU A 63 2.052 10.354 -4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.841 9.515 -3.215 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.475 9.792 -2.152 1.00 0.00 H new ATOM 0 HG LEU A 63 2.443 7.806 -2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.858 6.530 -4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.325 8.192 -5.117 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.042 7.755 -5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.157 6.035 -2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.390 7.242 -3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.570 7.337 -1.589 1.00 0.00 H new ATOM 885 N ASP A 64 3.897 12.516 -5.032 1.00 0.00 N ATOM 886 CA ASP A 64 4.361 13.895 -4.942 1.00 0.00 C ATOM 887 C ASP A 64 3.336 14.767 -4.223 1.00 0.00 C ATOM 888 O ASP A 64 3.657 15.860 -3.756 1.00 0.00 O ATOM 889 CB ASP A 64 4.634 14.455 -6.340 1.00 0.00 C ATOM 890 CG ASP A 64 5.802 15.422 -6.357 1.00 0.00 C ATOM 891 OD1 ASP A 64 6.924 14.992 -6.695 1.00 0.00 O ATOM 892 OD2 ASP A 64 5.593 16.610 -6.033 1.00 0.00 O ATOM 0 H ASP A 64 3.812 12.161 -5.984 1.00 0.00 H new ATOM 0 HA ASP A 64 5.287 13.905 -4.367 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.837 13.632 -7.025 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.741 14.961 -6.706 1.00 0.00 H new ATOM 896 N GLN A 65 2.104 14.277 -4.141 1.00 0.00 N ATOM 897 CA GLN A 65 1.032 15.014 -3.480 1.00 0.00 C ATOM 898 C GLN A 65 1.464 15.473 -2.091 1.00 0.00 C ATOM 899 O GLN A 65 1.011 16.507 -1.600 1.00 0.00 O ATOM 900 CB GLN A 65 -0.222 14.145 -3.376 1.00 0.00 C ATOM 901 CG GLN A 65 -0.274 13.299 -2.112 1.00 0.00 C ATOM 902 CD GLN A 65 -1.572 12.529 -1.979 1.00 0.00 C ATOM 903 OE1 GLN A 65 -1.577 11.298 -1.954 1.00 0.00 O ATOM 904 NE2 GLN A 65 -2.683 13.251 -1.891 1.00 0.00 N ATOM 0 H GLN A 65 1.823 13.374 -4.523 1.00 0.00 H new ATOM 0 HA GLN A 65 0.806 15.896 -4.080 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.102 14.787 -3.410 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.272 13.489 -4.245 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.561 12.599 -2.114 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.148 13.944 -1.242 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.633 14.269 -1.916 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.587 12.787 -1.798 1.00 0.00 H new ATOM 911 N ASP A 66 2.342 14.699 -1.463 1.00 0.00 N ATOM 912 CA ASP A 66 2.836 15.027 -0.131 1.00 0.00 C ATOM 913 C ASP A 66 3.880 14.014 0.327 1.00 0.00 C ATOM 914 O ASP A 66 4.751 14.327 1.136 1.00 0.00 O ATOM 915 CB ASP A 66 1.679 15.073 0.868 1.00 0.00 C ATOM 916 CG ASP A 66 1.455 16.463 1.432 1.00 0.00 C ATOM 917 OD1 ASP A 66 1.734 17.446 0.715 1.00 0.00 O ATOM 918 OD2 ASP A 66 1.001 16.566 2.590 1.00 0.00 O ATOM 0 H ASP A 66 2.726 13.840 -1.855 1.00 0.00 H new ATOM 0 HA ASP A 66 3.306 16.009 -0.177 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.767 14.731 0.379 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.881 14.381 1.685 1.00 0.00 H new ATOM 922 N GLY A 67 3.783 12.795 -0.196 1.00 0.00 N ATOM 923 CA GLY A 67 4.724 11.753 0.171 1.00 0.00 C ATOM 924 C GLY A 67 4.062 10.608 0.910 1.00 0.00 C ATOM 925 O GLY A 67 4.680 9.569 1.141 1.00 0.00 O ATOM 0 H GLY A 67 3.069 12.511 -0.867 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.206 11.370 -0.728 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.508 12.180 0.796 1.00 0.00 H new ATOM 929 N ARG A 68 2.801 10.799 1.285 1.00 0.00 N ATOM 930 CA ARG A 68 2.055 9.774 2.006 1.00 0.00 C ATOM 931 C ARG A 68 1.543 8.701 1.050 1.00 0.00 C ATOM 932 O ARG A 68 1.793 8.758 -0.154 1.00 0.00 O ATOM 933 CB ARG A 68 0.882 10.402 2.760 1.00 0.00 C ATOM 934 CG ARG A 68 1.194 11.772 3.341 1.00 0.00 C ATOM 935 CD ARG A 68 0.586 11.942 4.724 1.00 0.00 C ATOM 936 NE ARG A 68 1.451 12.719 5.610 1.00 0.00 N ATOM 937 CZ ARG A 68 2.597 12.263 6.103 1.00 0.00 C ATOM 938 NH1 ARG A 68 3.016 11.043 5.798 1.00 0.00 N ATOM 939 NH2 ARG A 68 3.327 13.030 6.902 1.00 0.00 N ATOM 0 H ARG A 68 2.275 11.653 1.102 1.00 0.00 H new ATOM 0 HA ARG A 68 2.730 9.306 2.723 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.031 10.489 2.084 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.581 9.734 3.567 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.274 11.907 3.398 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.811 12.546 2.676 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.381 12.436 4.637 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.404 10.961 5.163 1.00 0.00 H new ATOM 0 HE ARG A 68 1.159 13.663 5.863 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.458 10.451 5.183 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.897 10.696 6.178 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.008 13.970 7.138 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.207 12.680 7.281 1.00 0.00 H new ATOM 950 N ILE A 69 0.827 7.724 1.595 1.00 0.00 N ATOM 951 CA ILE A 69 0.279 6.638 0.790 1.00 0.00 C ATOM 952 C ILE A 69 -1.094 6.214 1.300 1.00 0.00 C ATOM 953 O ILE A 69 -1.212 5.599 2.360 1.00 0.00 O ATOM 954 CB ILE A 69 1.213 5.414 0.786 1.00 0.00 C ATOM 955 CG1 ILE A 69 2.557 5.772 0.150 1.00 0.00 C ATOM 956 CG2 ILE A 69 0.563 4.254 0.048 1.00 0.00 C ATOM 957 CD1 ILE A 69 3.655 4.776 0.454 1.00 0.00 C ATOM 0 H ILE A 69 0.612 7.661 2.590 1.00 0.00 H new ATOM 0 HA ILE A 69 0.185 7.016 -0.228 1.00 0.00 H new ATOM 0 HB ILE A 69 1.391 5.108 1.817 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.431 5.843 -0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.864 6.757 0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.236 3.396 0.054 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.371 3.986 0.542 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.358 4.547 -0.982 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.579 5.094 -0.029 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.809 4.722 1.532 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.369 3.793 0.079 1.00 0.00 H new ATOM 968 N SER A 70 -2.131 6.547 0.537 1.00 0.00 N ATOM 969 CA SER A 70 -3.498 6.203 0.912 1.00 0.00 C ATOM 970 C SER A 70 -3.794 4.739 0.599 1.00 0.00 C ATOM 971 O SER A 70 -3.158 4.136 -0.265 1.00 0.00 O ATOM 972 CB SER A 70 -4.492 7.105 0.178 1.00 0.00 C ATOM 973 OG SER A 70 -3.937 7.603 -1.025 1.00 0.00 O ATOM 0 H SER A 70 -2.050 7.054 -0.344 1.00 0.00 H new ATOM 0 HA SER A 70 -3.605 6.356 1.986 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.401 6.546 -0.042 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.777 7.937 0.822 1.00 0.00 H new ATOM 0 HG SER A 70 -3.474 8.448 -0.846 1.00 0.00 H new ATOM 978 N PHE A 71 -4.765 4.174 1.311 1.00 0.00 N ATOM 979 CA PHE A 71 -5.146 2.781 1.112 1.00 0.00 C ATOM 980 C PHE A 71 -5.316 2.470 -0.373 1.00 0.00 C ATOM 981 O PHE A 71 -4.951 1.391 -0.838 1.00 0.00 O ATOM 982 CB PHE A 71 -6.444 2.473 1.861 1.00 0.00 C ATOM 983 CG PHE A 71 -6.733 1.005 1.982 1.00 0.00 C ATOM 984 CD1 PHE A 71 -5.700 0.093 2.132 1.00 0.00 C ATOM 985 CD2 PHE A 71 -8.036 0.536 1.948 1.00 0.00 C ATOM 986 CE1 PHE A 71 -5.962 -1.260 2.246 1.00 0.00 C ATOM 987 CE2 PHE A 71 -8.304 -0.816 2.060 1.00 0.00 C ATOM 988 CZ PHE A 71 -7.265 -1.715 2.209 1.00 0.00 C ATOM 0 H PHE A 71 -5.301 4.660 2.030 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.348 2.152 1.508 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.390 2.908 2.859 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.274 2.957 1.347 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.679 0.443 2.160 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -8.852 1.234 1.833 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.148 -1.960 2.364 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -9.324 -1.169 2.031 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.472 -2.771 2.296 1.00 0.00 H new ATOM 997 N ASP A 72 -5.874 3.424 -1.110 1.00 0.00 N ATOM 998 CA ASP A 72 -6.092 3.254 -2.542 1.00 0.00 C ATOM 999 C ASP A 72 -4.802 2.842 -3.244 1.00 0.00 C ATOM 1000 O ASP A 72 -4.763 1.833 -3.948 1.00 0.00 O ATOM 1001 CB ASP A 72 -6.630 4.549 -3.155 1.00 0.00 C ATOM 1002 CG ASP A 72 -6.495 4.573 -4.665 1.00 0.00 C ATOM 1003 OD1 ASP A 72 -7.046 3.666 -5.324 1.00 0.00 O ATOM 1004 OD2 ASP A 72 -5.842 5.500 -5.187 1.00 0.00 O ATOM 0 H ASP A 72 -6.184 4.323 -0.740 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.828 2.462 -2.680 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.679 4.667 -2.885 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.094 5.398 -2.731 1.00 0.00 H new ATOM 1008 N GLU A 73 -3.750 3.629 -3.047 1.00 0.00 N ATOM 1009 CA GLU A 73 -2.458 3.345 -3.662 1.00 0.00 C ATOM 1010 C GLU A 73 -1.972 1.949 -3.287 1.00 0.00 C ATOM 1011 O GLU A 73 -1.482 1.201 -4.134 1.00 0.00 O ATOM 1012 CB GLU A 73 -1.424 4.390 -3.237 1.00 0.00 C ATOM 1013 CG GLU A 73 -1.094 5.398 -4.324 1.00 0.00 C ATOM 1014 CD GLU A 73 -2.117 6.513 -4.416 1.00 0.00 C ATOM 1015 OE1 GLU A 73 -3.232 6.255 -4.915 1.00 0.00 O ATOM 1016 OE2 GLU A 73 -1.803 7.644 -3.990 1.00 0.00 O ATOM 0 H GLU A 73 -3.766 4.468 -2.467 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.582 3.388 -4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.796 4.922 -2.361 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.509 3.881 -2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.111 5.827 -4.130 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.034 4.885 -5.284 1.00 0.00 H new ATOM 1021 N PHE A 74 -2.108 1.604 -2.010 1.00 0.00 N ATOM 1022 CA PHE A 74 -1.680 0.299 -1.522 1.00 0.00 C ATOM 1023 C PHE A 74 -2.363 -0.823 -2.299 1.00 0.00 C ATOM 1024 O PHE A 74 -1.717 -1.784 -2.718 1.00 0.00 O ATOM 1025 CB PHE A 74 -1.992 0.163 -0.030 1.00 0.00 C ATOM 1026 CG PHE A 74 -1.771 -1.223 0.506 1.00 0.00 C ATOM 1027 CD1 PHE A 74 -0.639 -1.522 1.244 1.00 0.00 C ATOM 1028 CD2 PHE A 74 -2.697 -2.226 0.269 1.00 0.00 C ATOM 1029 CE1 PHE A 74 -0.432 -2.797 1.738 1.00 0.00 C ATOM 1030 CE2 PHE A 74 -2.496 -3.503 0.760 1.00 0.00 C ATOM 1031 CZ PHE A 74 -1.362 -3.788 1.495 1.00 0.00 C ATOM 0 H PHE A 74 -2.511 2.210 -1.296 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.603 0.218 -1.671 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.370 0.863 0.528 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -3.029 0.450 0.144 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.092 -0.750 1.436 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.585 -2.008 -0.305 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.455 -3.017 2.313 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -3.225 -4.277 0.569 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.203 -4.785 1.879 1.00 0.00 H new ATOM 1040 N ILE A 75 -3.671 -0.694 -2.486 1.00 0.00 N ATOM 1041 CA ILE A 75 -4.441 -1.696 -3.213 1.00 0.00 C ATOM 1042 C ILE A 75 -3.928 -1.855 -4.639 1.00 0.00 C ATOM 1043 O ILE A 75 -3.570 -2.954 -5.065 1.00 0.00 O ATOM 1044 CB ILE A 75 -5.938 -1.335 -3.256 1.00 0.00 C ATOM 1045 CG1 ILE A 75 -6.520 -1.314 -1.841 1.00 0.00 C ATOM 1046 CG2 ILE A 75 -6.696 -2.321 -4.131 1.00 0.00 C ATOM 1047 CD1 ILE A 75 -6.391 -2.635 -1.115 1.00 0.00 C ATOM 0 H ILE A 75 -4.221 0.094 -2.144 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.318 -2.637 -2.677 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.044 -0.340 -3.688 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.017 -0.540 -1.262 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.573 -1.039 -1.894 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.752 -2.052 -4.151 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.295 -2.292 -5.144 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.585 -3.327 -3.726 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.824 -2.547 -0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.918 -3.409 -1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.338 -2.902 -1.030 1.00 0.00 H new ATOM 1058 N LYS A 76 -3.891 -0.749 -5.376 1.00 0.00 N ATOM 1059 CA LYS A 76 -3.418 -0.765 -6.755 1.00 0.00 C ATOM 1060 C LYS A 76 -2.038 -1.407 -6.851 1.00 0.00 C ATOM 1061 O LYS A 76 -1.759 -2.163 -7.782 1.00 0.00 O ATOM 1062 CB LYS A 76 -3.369 0.660 -7.314 1.00 0.00 C ATOM 1063 CG LYS A 76 -3.456 0.722 -8.829 1.00 0.00 C ATOM 1064 CD LYS A 76 -2.586 1.834 -9.392 1.00 0.00 C ATOM 1065 CE LYS A 76 -1.212 1.319 -9.791 1.00 0.00 C ATOM 1066 NZ LYS A 76 -1.181 0.860 -11.208 1.00 0.00 N ATOM 0 H LYS A 76 -4.183 0.169 -5.041 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.116 -1.358 -7.345 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.189 1.237 -6.887 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.443 1.136 -6.992 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.146 -0.234 -9.252 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.492 0.882 -9.129 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.076 2.277 -10.259 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.478 2.624 -8.649 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.473 2.108 -9.649 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.929 0.495 -9.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.209 0.596 -11.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.805 0.035 -11.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.508 1.628 -11.829 1.00 0.00 H new ATOM 1076 N ILE A 77 -1.181 -1.103 -5.883 1.00 0.00 N ATOM 1077 CA ILE A 77 0.169 -1.654 -5.857 1.00 0.00 C ATOM 1078 C ILE A 77 0.141 -3.168 -5.678 1.00 0.00 C ATOM 1079 O ILE A 77 0.862 -3.897 -6.359 1.00 0.00 O ATOM 1080 CB ILE A 77 1.009 -1.030 -4.727 1.00 0.00 C ATOM 1081 CG1 ILE A 77 1.214 0.466 -4.980 1.00 0.00 C ATOM 1082 CG2 ILE A 77 2.350 -1.741 -4.611 1.00 0.00 C ATOM 1083 CD1 ILE A 77 1.395 1.273 -3.714 1.00 0.00 C ATOM 0 H ILE A 77 -1.397 -0.478 -5.106 1.00 0.00 H new ATOM 0 HA ILE A 77 0.628 -1.412 -6.816 1.00 0.00 H new ATOM 0 HB ILE A 77 0.472 -1.150 -3.786 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.088 0.602 -5.616 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.356 0.854 -5.529 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.933 -1.289 -3.808 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.185 -2.796 -4.390 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.894 -1.648 -5.551 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.535 2.323 -3.969 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.511 1.167 -3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.270 0.911 -3.174 1.00 0.00 H new ATOM 1094 N PHE A 78 -0.698 -3.634 -4.760 1.00 0.00 N ATOM 1095 CA PHE A 78 -0.820 -5.063 -4.491 1.00 0.00 C ATOM 1096 C PHE A 78 -1.329 -5.805 -5.723 1.00 0.00 C ATOM 1097 O PHE A 78 -0.944 -6.947 -5.976 1.00 0.00 O ATOM 1098 CB PHE A 78 -1.764 -5.302 -3.312 1.00 0.00 C ATOM 1099 CG PHE A 78 -1.972 -6.756 -2.996 1.00 0.00 C ATOM 1100 CD1 PHE A 78 -0.917 -7.544 -2.566 1.00 0.00 C ATOM 1101 CD2 PHE A 78 -3.225 -7.335 -3.130 1.00 0.00 C ATOM 1102 CE1 PHE A 78 -1.105 -8.881 -2.275 1.00 0.00 C ATOM 1103 CE2 PHE A 78 -3.419 -8.672 -2.839 1.00 0.00 C ATOM 1104 CZ PHE A 78 -2.357 -9.446 -2.412 1.00 0.00 C ATOM 0 H PHE A 78 -1.304 -3.044 -4.189 1.00 0.00 H new ATOM 0 HA PHE A 78 0.169 -5.447 -4.239 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.366 -4.800 -2.430 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.729 -4.844 -3.531 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.065 -7.107 -2.457 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.058 -6.735 -3.465 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.273 -9.484 -1.941 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.400 -9.111 -2.945 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.506 -10.491 -2.186 1.00 0.00 H new ATOM 1113 N HIS A 79 -2.196 -5.149 -6.487 1.00 0.00 N ATOM 1114 CA HIS A 79 -2.759 -5.745 -7.693 1.00 0.00 C ATOM 1115 C HIS A 79 -1.727 -5.774 -8.817 1.00 0.00 C ATOM 1116 O HIS A 79 -1.693 -6.706 -9.619 1.00 0.00 O ATOM 1117 CB HIS A 79 -3.998 -4.970 -8.142 1.00 0.00 C ATOM 1118 CG HIS A 79 -5.285 -5.678 -7.851 1.00 0.00 C ATOM 1119 ND1 HIS A 79 -5.920 -6.492 -8.767 1.00 0.00 N ATOM 1120 CD2 HIS A 79 -6.055 -5.693 -6.739 1.00 0.00 C ATOM 1121 CE1 HIS A 79 -7.026 -6.974 -8.231 1.00 0.00 C ATOM 1122 NE2 HIS A 79 -7.131 -6.505 -7.000 1.00 0.00 N ATOM 0 H HIS A 79 -2.524 -4.203 -6.292 1.00 0.00 H new ATOM 0 HA HIS A 79 -3.047 -6.770 -7.461 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.008 -3.998 -7.648 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -3.930 -4.782 -9.214 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -5.587 -6.690 -9.710 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.860 -5.165 -5.817 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.726 -7.638 -8.716 1.00 0.00 H new ATOM 1129 N GLY A 80 -0.886 -4.745 -8.868 1.00 0.00 N ATOM 1130 CA GLY A 80 0.134 -4.671 -9.897 1.00 0.00 C ATOM 1131 C GLY A 80 -0.452 -4.650 -11.295 1.00 0.00 C ATOM 1132 O GLY A 80 -0.108 -5.485 -12.133 1.00 0.00 O ATOM 0 H GLY A 80 -0.893 -3.962 -8.215 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.735 -3.774 -9.745 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.805 -5.524 -9.801 1.00 0.00 H new ATOM 1136 N LEU A 81 -1.342 -3.696 -11.547 1.00 0.00 N ATOM 1137 CA LEU A 81 -1.979 -3.570 -12.853 1.00 0.00 C ATOM 1138 C LEU A 81 -2.110 -2.106 -13.256 1.00 0.00 C ATOM 1139 O LEU A 81 -2.526 -1.265 -12.458 1.00 0.00 O ATOM 1140 CB LEU A 81 -3.358 -4.231 -12.834 1.00 0.00 C ATOM 1141 CG LEU A 81 -3.370 -5.761 -12.831 1.00 0.00 C ATOM 1142 CD1 LEU A 81 -4.463 -6.284 -11.911 1.00 0.00 C ATOM 1143 CD2 LEU A 81 -3.558 -6.294 -14.244 1.00 0.00 C ATOM 0 H LEU A 81 -1.639 -2.999 -10.864 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.351 -4.074 -13.587 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.894 -3.882 -11.951 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.917 -3.885 -13.704 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.409 -6.113 -12.456 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.457 -7.374 -11.921 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.284 -5.930 -10.896 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.432 -5.923 -12.256 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.564 -7.384 -14.224 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.505 -5.933 -14.646 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.740 -5.947 -14.875 1.00 0.00 H new ATOM 1154 N LYS A 82 -1.754 -1.805 -14.500 1.00 0.00 N ATOM 1155 CA LYS A 82 -1.834 -0.442 -15.012 1.00 0.00 C ATOM 1156 C LYS A 82 -2.877 -0.338 -16.121 1.00 0.00 C ATOM 1157 O LYS A 82 -3.953 0.226 -15.923 1.00 0.00 O ATOM 1158 CB LYS A 82 -0.470 0.008 -15.537 1.00 0.00 C ATOM 1159 CG LYS A 82 0.224 -1.031 -16.401 1.00 0.00 C ATOM 1160 CD LYS A 82 1.174 -1.890 -15.585 1.00 0.00 C ATOM 1161 CE LYS A 82 2.284 -2.469 -16.448 1.00 0.00 C ATOM 1162 NZ LYS A 82 3.512 -1.627 -16.410 1.00 0.00 N ATOM 0 H LYS A 82 -1.407 -2.488 -15.173 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.134 0.211 -14.192 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.597 0.923 -16.116 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.173 0.252 -14.691 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.522 -1.666 -16.879 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.776 -0.533 -17.198 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.609 -1.293 -14.784 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.619 -2.700 -15.113 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.523 -3.476 -16.105 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.936 -2.557 -17.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.245 -2.055 -17.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.290 -0.673 -16.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.859 -1.564 -15.432 1.00 0.00 H new TER 1172 LYS A 82