USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=14 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 5 SER OG : rot -86:sc= 0.292 USER MOD Set 1.2: A 79 HIS : no HD1:sc= -0.657 X(o=-0.37,f=-0.081) 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 7 SER OG : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot -42:sc= 1.18 USER MOD Single : A 26 ASN :FLIP amide:sc= -0.193 F(o=-1.5,f=-0.19) USER MOD Single : A 28 TYR OH : rot 165:sc= 0.0804 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0089 K(o=-0.0089,f=-1.3!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= -0.0246 (180deg=-0.209) USER MOD Single : A 42 CYS SG : rot 180:sc=-0.00554 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0156 USER MOD Single : A 54 THR OG1 : rot 70:sc= 0.538 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl -167:sc=-0.00429 (180deg=-0.47) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00495 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0599 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -159:sc= -0.0174 (180deg=-0.217) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.889 7.357 -1.362 1.00 0.00 N ATOM 2 CA MET A 1 -15.787 6.491 -0.961 1.00 0.00 C ATOM 3 C MET A 1 -16.079 5.037 -1.319 1.00 0.00 C ATOM 4 O MET A 1 -16.481 4.247 -0.467 1.00 0.00 O ATOM 5 CB MET A 1 -15.533 6.617 0.542 1.00 0.00 C ATOM 6 CG MET A 1 -14.128 6.212 0.957 1.00 0.00 C ATOM 7 SD MET A 1 -13.501 7.193 2.336 1.00 0.00 S ATOM 8 CE MET A 1 -14.333 6.409 3.714 1.00 0.00 C ATOM 0 H1 MET A 1 -16.667 8.341 -1.108 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.029 7.288 -2.390 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.758 7.061 -0.874 1.00 0.00 H new ATOM 0 HA MET A 1 -14.895 6.807 -1.501 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.710 7.648 0.847 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.254 5.998 1.077 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.125 5.158 1.235 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.457 6.319 0.105 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.047 6.905 4.642 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.412 6.486 3.579 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.047 5.358 3.761 1.00 0.00 H new ATOM 16 N ALA A 2 -15.875 4.692 -2.587 1.00 0.00 N ATOM 17 CA ALA A 2 -16.115 3.334 -3.057 1.00 0.00 C ATOM 18 C ALA A 2 -15.203 2.990 -4.229 1.00 0.00 C ATOM 19 O ALA A 2 -15.410 3.459 -5.348 1.00 0.00 O ATOM 20 CB ALA A 2 -17.575 3.163 -3.453 1.00 0.00 C ATOM 0 H ALA A 2 -15.544 5.335 -3.306 1.00 0.00 H new ATOM 0 HA ALA A 2 -15.889 2.648 -2.241 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -17.740 2.144 -3.802 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -18.211 3.359 -2.590 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -17.820 3.864 -4.251 1.00 0.00 H new ATOM 26 N ARG A 3 -14.194 2.167 -3.965 1.00 0.00 N ATOM 27 CA ARG A 3 -13.248 1.761 -4.998 1.00 0.00 C ATOM 28 C ARG A 3 -12.254 0.739 -4.455 1.00 0.00 C ATOM 29 O ARG A 3 -12.075 0.615 -3.243 1.00 0.00 O ATOM 30 CB ARG A 3 -12.499 2.979 -5.541 1.00 0.00 C ATOM 31 CG ARG A 3 -11.777 3.777 -4.468 1.00 0.00 C ATOM 32 CD ARG A 3 -11.760 5.263 -4.795 1.00 0.00 C ATOM 33 NE ARG A 3 -10.654 5.955 -4.138 1.00 0.00 N ATOM 34 CZ ARG A 3 -10.188 7.135 -4.532 1.00 0.00 C ATOM 35 NH1 ARG A 3 -10.729 7.749 -5.575 1.00 0.00 N ATOM 36 NH2 ARG A 3 -9.179 7.702 -3.884 1.00 0.00 N ATOM 0 H ARG A 3 -14.010 1.768 -3.044 1.00 0.00 H new ATOM 0 HA ARG A 3 -13.811 1.298 -5.809 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -11.775 2.648 -6.285 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -13.206 3.631 -6.053 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -12.265 3.621 -3.506 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -10.754 3.413 -4.369 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -11.681 5.396 -5.874 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.704 5.713 -4.487 1.00 0.00 H new ATOM 0 HE ARG A 3 -10.216 5.508 -3.333 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -11.504 7.315 -6.076 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -10.370 8.655 -5.876 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -8.760 7.232 -3.082 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -8.822 8.608 -4.188 1.00 0.00 H new ATOM 47 N GLY A 4 -11.610 0.008 -5.359 1.00 0.00 N ATOM 48 CA GLY A 4 -10.642 -0.994 -4.952 1.00 0.00 C ATOM 49 C GLY A 4 -10.328 -1.981 -6.058 1.00 0.00 C ATOM 50 O GLY A 4 -10.755 -1.802 -7.198 1.00 0.00 O ATOM 0 H GLY A 4 -11.741 0.092 -6.367 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.722 -0.500 -4.639 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.025 -1.534 -4.086 1.00 0.00 H new ATOM 54 N SER A 5 -9.578 -3.026 -5.721 1.00 0.00 N ATOM 55 CA SER A 5 -9.202 -4.042 -6.697 1.00 0.00 C ATOM 56 C SER A 5 -9.105 -5.416 -6.040 1.00 0.00 C ATOM 57 O SER A 5 -9.615 -6.406 -6.566 1.00 0.00 O ATOM 58 CB SER A 5 -7.867 -3.683 -7.352 1.00 0.00 C ATOM 59 OG SER A 5 -7.811 -4.154 -8.686 1.00 0.00 O ATOM 0 H SER A 5 -9.219 -3.191 -4.780 1.00 0.00 H new ATOM 0 HA SER A 5 -9.976 -4.077 -7.463 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.731 -2.602 -7.339 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.048 -4.114 -6.776 1.00 0.00 H new ATOM 0 HG SER A 5 -7.497 -5.082 -8.692 1.00 0.00 H new ATOM 64 N VAL A 6 -8.446 -5.468 -4.886 1.00 0.00 N ATOM 65 CA VAL A 6 -8.283 -6.719 -4.155 1.00 0.00 C ATOM 66 C VAL A 6 -9.633 -7.357 -3.850 1.00 0.00 C ATOM 67 O VAL A 6 -10.628 -6.663 -3.644 1.00 0.00 O ATOM 68 CB VAL A 6 -7.520 -6.501 -2.835 1.00 0.00 C ATOM 69 CG1 VAL A 6 -6.037 -6.294 -3.103 1.00 0.00 C ATOM 70 CG2 VAL A 6 -8.103 -5.322 -2.072 1.00 0.00 C ATOM 0 H VAL A 6 -8.017 -4.659 -4.438 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.706 -7.387 -4.794 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.631 -7.393 -2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.514 -6.142 -2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.632 -7.173 -3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.901 -5.419 -3.738 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.552 -5.182 -1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.024 -4.420 -2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.151 -5.517 -1.847 1.00 0.00 H new ATOM 80 N SER A 7 -9.659 -8.687 -3.823 1.00 0.00 N ATOM 81 CA SER A 7 -10.889 -9.420 -3.546 1.00 0.00 C ATOM 82 C SER A 7 -11.374 -9.151 -2.125 1.00 0.00 C ATOM 83 O SER A 7 -10.731 -8.428 -1.363 1.00 0.00 O ATOM 84 CB SER A 7 -10.668 -10.921 -3.745 1.00 0.00 C ATOM 85 OG SER A 7 -11.673 -11.478 -4.574 1.00 0.00 O ATOM 0 H SER A 7 -8.844 -9.277 -3.989 1.00 0.00 H new ATOM 0 HA SER A 7 -11.653 -9.076 -4.243 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.688 -11.092 -4.191 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.670 -11.424 -2.778 1.00 0.00 H new ATOM 0 HG SER A 7 -11.509 -12.437 -4.687 1.00 0.00 H new ATOM 90 N ASP A 8 -12.514 -9.737 -1.774 1.00 0.00 N ATOM 91 CA ASP A 8 -13.086 -9.562 -0.444 1.00 0.00 C ATOM 92 C ASP A 8 -12.117 -10.037 0.632 1.00 0.00 C ATOM 93 O ASP A 8 -11.860 -9.330 1.605 1.00 0.00 O ATOM 94 CB ASP A 8 -14.408 -10.325 -0.331 1.00 0.00 C ATOM 95 CG ASP A 8 -15.614 -9.415 -0.463 1.00 0.00 C ATOM 96 OD1 ASP A 8 -15.778 -8.798 -1.537 1.00 0.00 O ATOM 97 OD2 ASP A 8 -16.395 -9.322 0.507 1.00 0.00 O ATOM 0 H ASP A 8 -13.060 -10.337 -2.392 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.274 -8.499 -0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.449 -11.092 -1.104 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.447 -10.838 0.630 1.00 0.00 H new ATOM 101 N GLU A 9 -11.582 -11.241 0.449 1.00 0.00 N ATOM 102 CA GLU A 9 -10.641 -11.812 1.407 1.00 0.00 C ATOM 103 C GLU A 9 -9.502 -10.839 1.695 1.00 0.00 C ATOM 104 O GLU A 9 -9.301 -10.423 2.835 1.00 0.00 O ATOM 105 CB GLU A 9 -10.077 -13.132 0.877 1.00 0.00 C ATOM 106 CG GLU A 9 -10.862 -14.353 1.326 1.00 0.00 C ATOM 107 CD GLU A 9 -10.724 -15.521 0.368 1.00 0.00 C ATOM 108 OE1 GLU A 9 -11.708 -15.827 -0.337 1.00 0.00 O ATOM 109 OE2 GLU A 9 -9.633 -16.126 0.324 1.00 0.00 O ATOM 0 H GLU A 9 -11.784 -11.839 -0.352 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.178 -12.002 2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.063 -13.100 -0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.043 -13.234 1.206 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.519 -14.657 2.315 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.915 -14.088 1.421 1.00 0.00 H new ATOM 114 N GLU A 10 -8.757 -10.481 0.652 1.00 0.00 N ATOM 115 CA GLU A 10 -7.637 -9.560 0.795 1.00 0.00 C ATOM 116 C GLU A 10 -8.111 -8.202 1.308 1.00 0.00 C ATOM 117 O GLU A 10 -7.710 -7.760 2.385 1.00 0.00 O ATOM 118 CB GLU A 10 -6.917 -9.386 -0.544 1.00 0.00 C ATOM 119 CG GLU A 10 -5.616 -10.166 -0.640 1.00 0.00 C ATOM 120 CD GLU A 10 -5.764 -11.607 -0.191 1.00 0.00 C ATOM 121 OE1 GLU A 10 -6.538 -12.350 -0.830 1.00 0.00 O ATOM 122 OE2 GLU A 10 -5.107 -11.991 0.798 1.00 0.00 O ATOM 0 H GLU A 10 -8.910 -10.815 -0.299 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.943 -9.983 1.522 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.581 -9.703 -1.348 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.709 -8.328 -0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.260 -10.145 -1.670 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.857 -9.676 -0.030 1.00 0.00 H new ATOM 127 N MET A 11 -8.967 -7.548 0.530 1.00 0.00 N ATOM 128 CA MET A 11 -9.496 -6.242 0.907 1.00 0.00 C ATOM 129 C MET A 11 -9.757 -6.173 2.408 1.00 0.00 C ATOM 130 O MET A 11 -9.459 -5.169 3.053 1.00 0.00 O ATOM 131 CB MET A 11 -10.786 -5.951 0.138 1.00 0.00 C ATOM 132 CG MET A 11 -11.251 -4.508 0.256 1.00 0.00 C ATOM 133 SD MET A 11 -9.951 -3.325 -0.144 1.00 0.00 S ATOM 134 CE MET A 11 -10.899 -2.039 -0.953 1.00 0.00 C ATOM 0 H MET A 11 -9.309 -7.900 -0.364 1.00 0.00 H new ATOM 0 HA MET A 11 -8.751 -5.488 0.652 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.634 -6.190 -0.914 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.574 -6.609 0.504 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.100 -4.348 -0.409 1.00 0.00 H new ATOM 0 HG3 MET A 11 -11.603 -4.326 1.271 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.232 -1.234 -1.260 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.397 -2.452 -1.830 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.646 -1.648 -0.262 1.00 0.00 H new ATOM 142 N MET A 12 -10.316 -7.247 2.956 1.00 0.00 N ATOM 143 CA MET A 12 -10.616 -7.308 4.382 1.00 0.00 C ATOM 144 C MET A 12 -9.333 -7.350 5.206 1.00 0.00 C ATOM 145 O MET A 12 -9.184 -6.607 6.175 1.00 0.00 O ATOM 146 CB MET A 12 -11.476 -8.535 4.693 1.00 0.00 C ATOM 147 CG MET A 12 -11.714 -8.750 6.178 1.00 0.00 C ATOM 148 SD MET A 12 -13.274 -9.589 6.518 1.00 0.00 S ATOM 149 CE MET A 12 -13.246 -9.643 8.308 1.00 0.00 C ATOM 0 H MET A 12 -10.570 -8.086 2.435 1.00 0.00 H new ATOM 0 HA MET A 12 -11.170 -6.408 4.650 1.00 0.00 H new ATOM 0 HB2 MET A 12 -12.438 -8.431 4.191 1.00 0.00 H new ATOM 0 HB3 MET A 12 -10.994 -9.421 4.279 1.00 0.00 H new ATOM 0 HG2 MET A 12 -10.893 -9.336 6.592 1.00 0.00 H new ATOM 0 HG3 MET A 12 -11.706 -7.786 6.686 1.00 0.00 H new ATOM 0 HE1 MET A 12 -14.148 -10.135 8.671 1.00 0.00 H new ATOM 0 HE2 MET A 12 -12.370 -10.199 8.642 1.00 0.00 H new ATOM 0 HE3 MET A 12 -13.202 -8.628 8.702 1.00 0.00 H new ATOM 157 N GLU A 13 -8.411 -8.223 4.814 1.00 0.00 N ATOM 158 CA GLU A 13 -7.142 -8.362 5.519 1.00 0.00 C ATOM 159 C GLU A 13 -6.280 -7.115 5.337 1.00 0.00 C ATOM 160 O GLU A 13 -5.906 -6.459 6.309 1.00 0.00 O ATOM 161 CB GLU A 13 -6.387 -9.595 5.018 1.00 0.00 C ATOM 162 CG GLU A 13 -6.825 -10.889 5.684 1.00 0.00 C ATOM 163 CD GLU A 13 -7.464 -11.859 4.710 1.00 0.00 C ATOM 164 OE1 GLU A 13 -8.456 -12.515 5.093 1.00 0.00 O ATOM 165 OE2 GLU A 13 -6.975 -11.962 3.566 1.00 0.00 O ATOM 0 H GLU A 13 -8.519 -8.845 4.012 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.356 -8.483 6.581 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.529 -9.685 3.941 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.320 -9.451 5.188 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.962 -11.364 6.150 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.533 -10.661 6.481 1.00 0.00 H new ATOM 170 N LEU A 14 -5.968 -6.797 4.086 1.00 0.00 N ATOM 171 CA LEU A 14 -5.150 -5.630 3.775 1.00 0.00 C ATOM 172 C LEU A 14 -5.649 -4.399 4.525 1.00 0.00 C ATOM 173 O LEU A 14 -4.864 -3.669 5.131 1.00 0.00 O ATOM 174 CB LEU A 14 -5.159 -5.362 2.269 1.00 0.00 C ATOM 175 CG LEU A 14 -5.147 -6.597 1.368 1.00 0.00 C ATOM 176 CD1 LEU A 14 -4.930 -6.197 -0.084 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.073 -7.576 1.819 1.00 0.00 C ATOM 0 H LEU A 14 -6.269 -7.331 3.270 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.129 -5.838 4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.044 -4.771 2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.291 -4.750 2.024 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.116 -7.090 1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.924 -7.089 -0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.735 -5.535 -0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.975 -5.680 -0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.079 -8.449 1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.097 -7.093 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.273 -7.888 2.844 1.00 0.00 H new ATOM 188 N ARG A 15 -6.958 -4.177 4.482 1.00 0.00 N ATOM 189 CA ARG A 15 -7.562 -3.035 5.158 1.00 0.00 C ATOM 190 C ARG A 15 -7.316 -3.102 6.663 1.00 0.00 C ATOM 191 O ARG A 15 -6.917 -2.115 7.280 1.00 0.00 O ATOM 192 CB ARG A 15 -9.066 -2.986 4.879 1.00 0.00 C ATOM 193 CG ARG A 15 -9.820 -2.016 5.773 1.00 0.00 C ATOM 194 CD ARG A 15 -10.900 -2.724 6.576 1.00 0.00 C ATOM 195 NE ARG A 15 -10.715 -2.550 8.014 1.00 0.00 N ATOM 196 CZ ARG A 15 -10.887 -1.393 8.643 1.00 0.00 C ATOM 197 NH1 ARG A 15 -11.249 -0.314 7.963 1.00 0.00 N ATOM 198 NH2 ARG A 15 -10.701 -1.314 9.954 1.00 0.00 N ATOM 0 H ARG A 15 -7.621 -4.773 3.986 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.098 -2.128 4.770 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.225 -2.706 3.838 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.483 -3.985 5.007 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.121 -1.527 6.452 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.272 -1.234 5.163 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.878 -2.339 6.287 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.892 -3.787 6.335 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.438 -3.362 8.566 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.396 -0.372 6.955 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.381 0.574 8.448 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.425 -2.143 10.481 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.834 -0.424 10.435 1.00 0.00 H new ATOM 209 N GLU A 16 -7.558 -4.273 7.245 1.00 0.00 N ATOM 210 CA GLU A 16 -7.364 -4.467 8.677 1.00 0.00 C ATOM 211 C GLU A 16 -5.990 -3.964 9.113 1.00 0.00 C ATOM 212 O GLU A 16 -5.882 -3.076 9.959 1.00 0.00 O ATOM 213 CB GLU A 16 -7.515 -5.946 9.040 1.00 0.00 C ATOM 214 CG GLU A 16 -8.907 -6.314 9.522 1.00 0.00 C ATOM 215 CD GLU A 16 -9.098 -6.059 11.004 1.00 0.00 C ATOM 216 OE1 GLU A 16 -8.928 -7.008 11.796 1.00 0.00 O ATOM 217 OE2 GLU A 16 -9.419 -4.909 11.372 1.00 0.00 O ATOM 0 H GLU A 16 -7.888 -5.100 6.748 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.127 -3.892 9.201 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.269 -6.552 8.168 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.792 -6.197 9.817 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.645 -5.741 8.961 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.094 -7.367 9.311 1.00 0.00 H new ATOM 222 N ALA A 17 -4.943 -4.539 8.530 1.00 0.00 N ATOM 223 CA ALA A 17 -3.577 -4.148 8.856 1.00 0.00 C ATOM 224 C ALA A 17 -3.346 -2.668 8.569 1.00 0.00 C ATOM 225 O ALA A 17 -2.918 -1.915 9.445 1.00 0.00 O ATOM 226 CB ALA A 17 -2.585 -5.000 8.079 1.00 0.00 C ATOM 0 H ALA A 17 -5.015 -5.277 7.830 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.423 -4.312 9.922 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.569 -4.697 8.332 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.726 -6.049 8.337 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.748 -4.865 7.010 1.00 0.00 H new ATOM 232 N PHE A 18 -3.630 -2.258 7.338 1.00 0.00 N ATOM 233 CA PHE A 18 -3.452 -0.868 6.935 1.00 0.00 C ATOM 234 C PHE A 18 -3.913 0.082 8.038 1.00 0.00 C ATOM 235 O PHE A 18 -3.149 0.927 8.503 1.00 0.00 O ATOM 236 CB PHE A 18 -4.225 -0.584 5.646 1.00 0.00 C ATOM 237 CG PHE A 18 -4.160 0.852 5.211 1.00 0.00 C ATOM 238 CD1 PHE A 18 -3.269 1.252 4.229 1.00 0.00 C ATOM 239 CD2 PHE A 18 -4.991 1.802 5.784 1.00 0.00 C ATOM 240 CE1 PHE A 18 -3.206 2.573 3.826 1.00 0.00 C ATOM 241 CE2 PHE A 18 -4.933 3.123 5.385 1.00 0.00 C ATOM 242 CZ PHE A 18 -4.039 3.510 4.406 1.00 0.00 C ATOM 0 H PHE A 18 -3.985 -2.868 6.602 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.390 -0.702 6.757 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.831 -1.215 4.849 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.268 -0.865 5.788 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.616 0.523 3.773 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.692 1.506 6.551 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.507 2.872 3.059 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.587 3.853 5.839 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.991 4.543 4.095 1.00 0.00 H new ATOM 251 N ALA A 19 -5.168 -0.064 8.449 1.00 0.00 N ATOM 252 CA ALA A 19 -5.731 0.778 9.497 1.00 0.00 C ATOM 253 C ALA A 19 -4.827 0.805 10.724 1.00 0.00 C ATOM 254 O ALA A 19 -4.553 1.867 11.283 1.00 0.00 O ATOM 255 CB ALA A 19 -7.122 0.291 9.874 1.00 0.00 C ATOM 0 H ALA A 19 -5.814 -0.757 8.072 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.806 1.795 9.111 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.531 0.929 10.658 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.771 0.330 8.999 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.062 -0.735 10.236 1.00 0.00 H new ATOM 261 N LYS A 20 -4.367 -0.370 11.141 1.00 0.00 N ATOM 262 CA LYS A 20 -3.493 -0.482 12.302 1.00 0.00 C ATOM 263 C LYS A 20 -2.258 0.399 12.141 1.00 0.00 C ATOM 264 O LYS A 20 -1.684 0.867 13.124 1.00 0.00 O ATOM 265 CB LYS A 20 -3.070 -1.938 12.510 1.00 0.00 C ATOM 266 CG LYS A 20 -4.229 -2.918 12.473 1.00 0.00 C ATOM 267 CD LYS A 20 -4.223 -3.835 13.685 1.00 0.00 C ATOM 268 CE LYS A 20 -2.876 -4.522 13.856 1.00 0.00 C ATOM 269 NZ LYS A 20 -2.900 -5.519 14.962 1.00 0.00 N ATOM 0 H LYS A 20 -4.586 -1.259 10.691 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.048 -0.143 13.177 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.349 -2.212 11.740 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.561 -2.026 13.470 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.170 -2.369 12.436 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.172 -3.516 11.563 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.455 -3.258 14.580 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.005 -4.586 13.578 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.600 -5.018 12.925 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.109 -3.774 14.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.965 -5.966 15.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.138 -5.042 15.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.614 -6.247 14.758 1.00 0.00 H new ATOM 279 N VAL A 21 -1.855 0.622 10.894 1.00 0.00 N ATOM 280 CA VAL A 21 -0.689 1.449 10.604 1.00 0.00 C ATOM 281 C VAL A 21 -1.102 2.787 10.002 1.00 0.00 C ATOM 282 O VAL A 21 -0.255 3.582 9.592 1.00 0.00 O ATOM 283 CB VAL A 21 0.276 0.738 9.636 1.00 0.00 C ATOM 284 CG1 VAL A 21 1.602 0.447 10.323 1.00 0.00 C ATOM 285 CG2 VAL A 21 -0.351 -0.541 9.102 1.00 0.00 C ATOM 0 H VAL A 21 -2.318 0.242 10.069 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.179 1.622 11.551 1.00 0.00 H new ATOM 0 HB VAL A 21 0.470 1.399 8.791 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.271 -0.055 9.624 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.055 1.383 10.650 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.431 -0.195 11.187 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.345 -1.030 8.420 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.576 -1.210 9.932 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.272 -0.300 8.570 1.00 0.00 H new ATOM 295 N ASP A 22 -2.406 3.031 9.952 1.00 0.00 N ATOM 296 CA ASP A 22 -2.931 4.275 9.402 1.00 0.00 C ATOM 297 C ASP A 22 -3.417 5.199 10.514 1.00 0.00 C ATOM 298 O ASP A 22 -4.540 5.702 10.473 1.00 0.00 O ATOM 299 CB ASP A 22 -4.075 3.983 8.428 1.00 0.00 C ATOM 300 CG ASP A 22 -4.564 5.231 7.719 1.00 0.00 C ATOM 301 OD1 ASP A 22 -5.793 5.374 7.548 1.00 0.00 O ATOM 302 OD2 ASP A 22 -3.717 6.066 7.337 1.00 0.00 O ATOM 0 H ASP A 22 -3.120 2.383 10.286 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.125 4.775 8.865 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.742 3.255 7.688 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.904 3.529 8.971 1.00 0.00 H new ATOM 306 N THR A 23 -2.563 5.419 11.509 1.00 0.00 N ATOM 307 CA THR A 23 -2.905 6.281 12.633 1.00 0.00 C ATOM 308 C THR A 23 -2.695 7.750 12.283 1.00 0.00 C ATOM 309 O THR A 23 -2.811 8.624 13.142 1.00 0.00 O ATOM 310 CB THR A 23 -2.067 5.936 13.879 1.00 0.00 C ATOM 311 OG1 THR A 23 -2.447 6.780 14.972 1.00 0.00 O ATOM 312 CG2 THR A 23 -0.582 6.102 13.596 1.00 0.00 C ATOM 0 H THR A 23 -1.629 5.012 11.559 1.00 0.00 H new ATOM 0 HA THR A 23 -3.959 6.111 12.854 1.00 0.00 H new ATOM 0 HB THR A 23 -2.256 4.895 14.141 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.573 7.697 14.649 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.011 5.853 14.490 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.290 5.438 12.782 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.379 7.135 13.312 1.00 0.00 H new ATOM 320 N ASP A 24 -2.387 8.014 11.019 1.00 0.00 N ATOM 321 CA ASP A 24 -2.164 9.378 10.555 1.00 0.00 C ATOM 322 C ASP A 24 -3.415 10.229 10.745 1.00 0.00 C ATOM 323 O ASP A 24 -3.355 11.458 10.715 1.00 0.00 O ATOM 324 CB ASP A 24 -1.750 9.378 9.083 1.00 0.00 C ATOM 325 CG ASP A 24 -0.445 8.644 8.848 1.00 0.00 C ATOM 326 OD1 ASP A 24 0.061 8.684 7.707 1.00 0.00 O ATOM 327 OD2 ASP A 24 0.071 8.031 9.806 1.00 0.00 O ATOM 0 H ASP A 24 -2.286 7.301 10.297 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.360 9.810 11.150 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.536 8.914 8.488 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.652 10.407 8.736 1.00 0.00 H new ATOM 331 N GLY A 25 -4.552 9.566 10.940 1.00 0.00 N ATOM 332 CA GLY A 25 -5.802 10.277 11.131 1.00 0.00 C ATOM 333 C GLY A 25 -6.240 11.024 9.886 1.00 0.00 C ATOM 334 O GLY A 25 -7.155 11.845 9.936 1.00 0.00 O ATOM 0 H GLY A 25 -4.629 8.549 10.969 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.579 9.569 11.418 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.693 10.982 11.955 1.00 0.00 H new ATOM 338 N ASN A 26 -5.583 10.740 8.766 1.00 0.00 N ATOM 339 CA ASN A 26 -5.909 11.392 7.503 1.00 0.00 C ATOM 340 C ASN A 26 -6.487 10.392 6.506 1.00 0.00 C ATOM 341 O ASN A 26 -7.102 10.775 5.512 1.00 0.00 O ATOM 342 CB ASN A 26 -4.663 12.056 6.912 1.00 0.00 C ATOM 343 CG ASN A 26 -3.917 12.896 7.930 1.00 0.00 C ATOM 344 OD1 ASN A 26 -2.661 12.545 8.180 1.00 0.00 O flip ATOM 345 ND2 ASN A 26 -4.464 13.849 8.486 1.00 0.00 N flip ATOM 0 H ASN A 26 -4.822 10.063 8.707 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.661 12.156 7.701 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.996 11.288 6.521 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.954 12.684 6.070 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.431 14.083 8.263 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.950 14.405 9.169 1.00 0.00 H new ATOM 351 N GLY A 27 -6.284 9.106 6.782 1.00 0.00 N ATOM 352 CA GLY A 27 -6.792 8.071 5.901 1.00 0.00 C ATOM 353 C GLY A 27 -5.688 7.368 5.136 1.00 0.00 C ATOM 354 O GLY A 27 -5.882 6.263 4.627 1.00 0.00 O ATOM 0 H GLY A 27 -5.778 8.764 7.599 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.347 7.339 6.488 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.495 8.512 5.195 1.00 0.00 H new ATOM 358 N TYR A 28 -4.528 8.009 5.053 1.00 0.00 N ATOM 359 CA TYR A 28 -3.390 7.440 4.341 1.00 0.00 C ATOM 360 C TYR A 28 -2.212 7.218 5.285 1.00 0.00 C ATOM 361 O TYR A 28 -1.997 7.991 6.219 1.00 0.00 O ATOM 362 CB TYR A 28 -2.970 8.357 3.191 1.00 0.00 C ATOM 363 CG TYR A 28 -3.034 9.829 3.536 1.00 0.00 C ATOM 364 CD1 TYR A 28 -3.993 10.655 2.963 1.00 0.00 C ATOM 365 CD2 TYR A 28 -2.137 10.391 4.435 1.00 0.00 C ATOM 366 CE1 TYR A 28 -4.056 11.999 3.274 1.00 0.00 C ATOM 367 CE2 TYR A 28 -2.192 11.735 4.753 1.00 0.00 C ATOM 368 CZ TYR A 28 -3.153 12.534 4.169 1.00 0.00 C ATOM 369 OH TYR A 28 -3.211 13.873 4.484 1.00 0.00 O ATOM 0 H TYR A 28 -4.351 8.923 5.470 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.694 6.475 3.935 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.953 8.107 2.891 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.612 8.166 2.331 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.702 10.239 2.262 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.384 9.767 4.893 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -4.808 12.627 2.819 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.487 12.157 5.454 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.680 14.043 5.290 1.00 0.00 H new ATOM 378 N ILE A 29 -1.453 6.157 5.034 1.00 0.00 N ATOM 379 CA ILE A 29 -0.296 5.833 5.859 1.00 0.00 C ATOM 380 C ILE A 29 0.984 6.408 5.261 1.00 0.00 C ATOM 381 O ILE A 29 0.968 6.994 4.180 1.00 0.00 O ATOM 382 CB ILE A 29 -0.133 4.311 6.027 1.00 0.00 C ATOM 383 CG1 ILE A 29 0.177 3.658 4.679 1.00 0.00 C ATOM 384 CG2 ILE A 29 -1.388 3.708 6.638 1.00 0.00 C ATOM 385 CD1 ILE A 29 0.251 2.148 4.741 1.00 0.00 C ATOM 0 H ILE A 29 -1.619 5.507 4.266 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.470 6.281 6.837 1.00 0.00 H new ATOM 0 HB ILE A 29 0.702 4.122 6.702 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.590 3.947 3.960 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.125 4.045 4.307 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.257 2.632 6.750 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.568 4.156 7.615 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.240 3.904 5.987 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.474 1.754 3.750 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.037 1.850 5.435 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.705 1.751 5.083 1.00 0.00 H new ATOM 396 N SER A 30 2.093 6.234 5.973 1.00 0.00 N ATOM 397 CA SER A 30 3.383 6.737 5.514 1.00 0.00 C ATOM 398 C SER A 30 4.195 5.627 4.856 1.00 0.00 C ATOM 399 O SER A 30 3.890 4.444 5.008 1.00 0.00 O ATOM 400 CB SER A 30 4.166 7.334 6.684 1.00 0.00 C ATOM 401 OG SER A 30 3.544 8.511 7.169 1.00 0.00 O ATOM 0 H SER A 30 2.124 5.749 6.870 1.00 0.00 H new ATOM 0 HA SER A 30 3.200 7.516 4.774 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.240 6.601 7.487 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.183 7.562 6.366 1.00 0.00 H new ATOM 0 HG SER A 30 4.064 8.871 7.918 1.00 0.00 H new ATOM 406 N PHE A 31 5.234 6.017 4.124 1.00 0.00 N ATOM 407 CA PHE A 31 6.092 5.056 3.440 1.00 0.00 C ATOM 408 C PHE A 31 6.475 3.910 4.373 1.00 0.00 C ATOM 409 O PHE A 31 6.210 2.745 4.082 1.00 0.00 O ATOM 410 CB PHE A 31 7.354 5.747 2.918 1.00 0.00 C ATOM 411 CG PHE A 31 7.368 5.920 1.427 1.00 0.00 C ATOM 412 CD1 PHE A 31 8.191 5.137 0.634 1.00 0.00 C ATOM 413 CD2 PHE A 31 6.560 6.866 0.818 1.00 0.00 C ATOM 414 CE1 PHE A 31 8.207 5.293 -0.740 1.00 0.00 C ATOM 415 CE2 PHE A 31 6.571 7.026 -0.555 1.00 0.00 C ATOM 416 CZ PHE A 31 7.397 6.240 -1.335 1.00 0.00 C ATOM 0 H PHE A 31 5.502 6.992 3.989 1.00 0.00 H new ATOM 0 HA PHE A 31 5.536 4.646 2.597 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.445 6.725 3.390 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.227 5.166 3.217 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.828 4.396 1.094 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.914 7.486 1.423 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.852 4.675 -1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.934 7.765 -1.018 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.409 6.366 -2.408 1.00 0.00 H new ATOM 425 N ASN A 32 7.102 4.252 5.494 1.00 0.00 N ATOM 426 CA ASN A 32 7.523 3.252 6.469 1.00 0.00 C ATOM 427 C ASN A 32 6.350 2.366 6.882 1.00 0.00 C ATOM 428 O ASN A 32 6.474 1.144 6.937 1.00 0.00 O ATOM 429 CB ASN A 32 8.121 3.932 7.701 1.00 0.00 C ATOM 430 CG ASN A 32 9.470 4.564 7.416 1.00 0.00 C ATOM 431 OD1 ASN A 32 10.160 4.181 6.471 1.00 0.00 O ATOM 432 ND2 ASN A 32 9.851 5.540 8.232 1.00 0.00 N ATOM 0 H ASN A 32 7.330 5.213 5.750 1.00 0.00 H new ATOM 0 HA ASN A 32 8.283 2.624 6.004 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.433 4.697 8.060 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.228 3.199 8.501 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.748 6.004 8.088 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.247 5.825 9.003 1.00 0.00 H new ATOM 438 N GLU A 33 5.215 2.994 7.170 1.00 0.00 N ATOM 439 CA GLU A 33 4.021 2.263 7.578 1.00 0.00 C ATOM 440 C GLU A 33 3.589 1.280 6.494 1.00 0.00 C ATOM 441 O GLU A 33 3.194 0.150 6.785 1.00 0.00 O ATOM 442 CB GLU A 33 2.880 3.235 7.885 1.00 0.00 C ATOM 443 CG GLU A 33 3.251 4.308 8.895 1.00 0.00 C ATOM 444 CD GLU A 33 2.055 5.127 9.342 1.00 0.00 C ATOM 445 OE1 GLU A 33 1.237 5.502 8.476 1.00 0.00 O ATOM 446 OE2 GLU A 33 1.936 5.390 10.557 1.00 0.00 O ATOM 0 H GLU A 33 5.097 4.006 7.129 1.00 0.00 H new ATOM 0 HA GLU A 33 4.261 1.700 8.480 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.562 3.714 6.959 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.026 2.672 8.262 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.711 3.839 9.765 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.998 4.971 8.458 1.00 0.00 H new ATOM 451 N LEU A 34 3.665 1.718 5.242 1.00 0.00 N ATOM 452 CA LEU A 34 3.281 0.878 4.113 1.00 0.00 C ATOM 453 C LEU A 34 4.070 -0.427 4.111 1.00 0.00 C ATOM 454 O LEU A 34 3.500 -1.509 4.239 1.00 0.00 O ATOM 455 CB LEU A 34 3.506 1.625 2.797 1.00 0.00 C ATOM 456 CG LEU A 34 3.701 0.753 1.556 1.00 0.00 C ATOM 457 CD1 LEU A 34 2.455 -0.075 1.284 1.00 0.00 C ATOM 458 CD2 LEU A 34 4.045 1.614 0.349 1.00 0.00 C ATOM 0 H LEU A 34 3.989 2.650 4.983 1.00 0.00 H new ATOM 0 HA LEU A 34 2.222 0.640 4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.653 2.282 2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.382 2.263 2.910 1.00 0.00 H new ATOM 0 HG LEU A 34 4.532 0.072 1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.613 -0.689 0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.252 -0.719 2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.606 0.588 1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.180 0.977 -0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.235 2.319 0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.966 2.163 0.544 1.00 0.00 H new ATOM 469 N ASN A 35 5.387 -0.316 3.969 1.00 0.00 N ATOM 470 CA ASN A 35 6.256 -1.488 3.953 1.00 0.00 C ATOM 471 C ASN A 35 5.919 -2.430 5.105 1.00 0.00 C ATOM 472 O ASN A 35 5.719 -3.628 4.902 1.00 0.00 O ATOM 473 CB ASN A 35 7.722 -1.062 4.041 1.00 0.00 C ATOM 474 CG ASN A 35 8.637 -2.211 4.416 1.00 0.00 C ATOM 475 OD1 ASN A 35 8.680 -3.234 3.732 1.00 0.00 O ATOM 476 ND2 ASN A 35 9.374 -2.048 5.509 1.00 0.00 N ATOM 0 H ASN A 35 5.876 0.573 3.863 1.00 0.00 H new ATOM 0 HA ASN A 35 6.094 -2.017 3.014 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.036 -0.650 3.082 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.822 -0.266 4.779 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.008 -2.788 5.812 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.306 -1.183 6.046 1.00 0.00 H new ATOM 482 N ASP A 36 5.858 -1.880 6.313 1.00 0.00 N ATOM 483 CA ASP A 36 5.544 -2.671 7.498 1.00 0.00 C ATOM 484 C ASP A 36 4.170 -3.322 7.367 1.00 0.00 C ATOM 485 O ASP A 36 3.964 -4.454 7.806 1.00 0.00 O ATOM 486 CB ASP A 36 5.590 -1.794 8.749 1.00 0.00 C ATOM 487 CG ASP A 36 6.676 -2.222 9.716 1.00 0.00 C ATOM 488 OD1 ASP A 36 6.845 -3.444 9.916 1.00 0.00 O ATOM 489 OD2 ASP A 36 7.357 -1.336 10.273 1.00 0.00 O ATOM 0 H ASP A 36 6.022 -0.890 6.498 1.00 0.00 H new ATOM 0 HA ASP A 36 6.292 -3.458 7.589 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.756 -0.757 8.456 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.624 -1.833 9.252 1.00 0.00 H new ATOM 493 N LEU A 37 3.232 -2.599 6.765 1.00 0.00 N ATOM 494 CA LEU A 37 1.878 -3.105 6.578 1.00 0.00 C ATOM 495 C LEU A 37 1.871 -4.317 5.652 1.00 0.00 C ATOM 496 O LEU A 37 1.089 -5.249 5.838 1.00 0.00 O ATOM 497 CB LEU A 37 0.976 -2.007 6.007 1.00 0.00 C ATOM 498 CG LEU A 37 -0.150 -2.477 5.086 1.00 0.00 C ATOM 499 CD1 LEU A 37 -1.064 -3.451 5.813 1.00 0.00 C ATOM 500 CD2 LEU A 37 -0.943 -1.286 4.564 1.00 0.00 C ATOM 0 H LEU A 37 3.385 -1.660 6.398 1.00 0.00 H new ATOM 0 HA LEU A 37 1.495 -3.413 7.551 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.533 -1.459 6.839 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.599 -1.302 5.456 1.00 0.00 H new ATOM 0 HG LEU A 37 0.294 -2.994 4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.859 -3.774 5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.488 -4.318 6.137 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.501 -2.960 6.683 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.741 -1.638 3.910 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.376 -0.741 5.403 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.281 -0.625 4.005 1.00 0.00 H new ATOM 511 N PHE A 38 2.751 -4.298 4.656 1.00 0.00 N ATOM 512 CA PHE A 38 2.848 -5.396 3.701 1.00 0.00 C ATOM 513 C PHE A 38 3.327 -6.671 4.387 1.00 0.00 C ATOM 514 O PHE A 38 2.798 -7.757 4.146 1.00 0.00 O ATOM 515 CB PHE A 38 3.800 -5.027 2.562 1.00 0.00 C ATOM 516 CG PHE A 38 3.111 -4.837 1.242 1.00 0.00 C ATOM 517 CD1 PHE A 38 2.996 -5.889 0.347 1.00 0.00 C ATOM 518 CD2 PHE A 38 2.578 -3.606 0.894 1.00 0.00 C ATOM 519 CE1 PHE A 38 2.361 -5.718 -0.868 1.00 0.00 C ATOM 520 CE2 PHE A 38 1.942 -3.429 -0.321 1.00 0.00 C ATOM 521 CZ PHE A 38 1.834 -4.486 -1.203 1.00 0.00 C ATOM 0 H PHE A 38 3.407 -3.535 4.489 1.00 0.00 H new ATOM 0 HA PHE A 38 1.855 -5.576 3.290 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.327 -4.109 2.823 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.553 -5.809 2.461 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.408 -6.854 0.602 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.660 -2.776 1.580 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.277 -6.547 -1.555 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.530 -2.465 -0.580 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.338 -4.350 -2.153 1.00 0.00 H new ATOM 530 N LYS A 39 4.334 -6.533 5.243 1.00 0.00 N ATOM 531 CA LYS A 39 4.886 -7.673 5.966 1.00 0.00 C ATOM 532 C LYS A 39 3.897 -8.190 7.007 1.00 0.00 C ATOM 533 O LYS A 39 3.550 -9.370 7.015 1.00 0.00 O ATOM 534 CB LYS A 39 6.201 -7.284 6.646 1.00 0.00 C ATOM 535 CG LYS A 39 7.060 -6.346 5.816 1.00 0.00 C ATOM 536 CD LYS A 39 7.263 -6.876 4.407 1.00 0.00 C ATOM 537 CE LYS A 39 7.927 -8.245 4.417 1.00 0.00 C ATOM 538 NZ LYS A 39 9.227 -8.226 5.145 1.00 0.00 N ATOM 0 H LYS A 39 4.785 -5.642 5.453 1.00 0.00 H new ATOM 0 HA LYS A 39 5.077 -8.469 5.246 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.980 -6.810 7.602 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.770 -8.188 6.863 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.590 -5.364 5.772 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.028 -6.214 6.299 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.301 -6.941 3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.877 -6.177 3.839 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.260 -8.969 4.884 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.090 -8.577 3.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.742 -9.111 4.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.796 -7.419 4.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.052 -8.135 6.166 1.00 0.00 H new ATOM 548 N ALA A 40 3.445 -7.296 7.880 1.00 0.00 N ATOM 549 CA ALA A 40 2.493 -7.662 8.922 1.00 0.00 C ATOM 550 C ALA A 40 1.213 -8.233 8.320 1.00 0.00 C ATOM 551 O ALA A 40 0.471 -8.953 8.987 1.00 0.00 O ATOM 552 CB ALA A 40 2.176 -6.455 9.794 1.00 0.00 C ATOM 0 H ALA A 40 3.722 -6.314 7.887 1.00 0.00 H new ATOM 0 HA ALA A 40 2.948 -8.435 9.541 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.464 -6.742 10.568 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.092 -6.092 10.260 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.745 -5.665 9.179 1.00 0.00 H new ATOM 558 N ALA A 41 0.961 -7.905 7.058 1.00 0.00 N ATOM 559 CA ALA A 41 -0.229 -8.387 6.367 1.00 0.00 C ATOM 560 C ALA A 41 -0.011 -9.791 5.815 1.00 0.00 C ATOM 561 O ALA A 41 -0.895 -10.359 5.170 1.00 0.00 O ATOM 562 CB ALA A 41 -0.611 -7.431 5.246 1.00 0.00 C ATOM 0 H ALA A 41 1.564 -7.308 6.493 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.046 -8.430 7.088 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.501 -7.803 4.738 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.816 -6.445 5.663 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.210 -7.360 4.533 1.00 0.00 H new ATOM 568 N CYS A 42 1.168 -10.346 6.070 1.00 0.00 N ATOM 569 CA CYS A 42 1.501 -11.685 5.596 1.00 0.00 C ATOM 570 C CYS A 42 1.336 -11.783 4.083 1.00 0.00 C ATOM 571 O CYS A 42 1.047 -12.855 3.548 1.00 0.00 O ATOM 572 CB CYS A 42 0.619 -12.727 6.287 1.00 0.00 C ATOM 573 SG CYS A 42 1.328 -14.390 6.317 1.00 0.00 S ATOM 0 H CYS A 42 1.909 -9.890 6.602 1.00 0.00 H new ATOM 0 HA CYS A 42 2.544 -11.882 5.842 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.430 -12.406 7.311 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.346 -12.764 5.781 1.00 0.00 H new ATOM 0 HG CYS A 42 0.511 -15.199 6.923 1.00 0.00 H new ATOM 578 N LEU A 43 1.521 -10.660 3.399 1.00 0.00 N ATOM 579 CA LEU A 43 1.391 -10.619 1.946 1.00 0.00 C ATOM 580 C LEU A 43 2.466 -11.472 1.279 1.00 0.00 C ATOM 581 O LEU A 43 3.484 -11.813 1.881 1.00 0.00 O ATOM 582 CB LEU A 43 1.486 -9.176 1.447 1.00 0.00 C ATOM 583 CG LEU A 43 0.167 -8.408 1.359 1.00 0.00 C ATOM 584 CD1 LEU A 43 -0.887 -9.055 2.244 1.00 0.00 C ATOM 585 CD2 LEU A 43 0.370 -6.951 1.748 1.00 0.00 C ATOM 0 H LEU A 43 1.761 -9.766 3.826 1.00 0.00 H new ATOM 0 HA LEU A 43 0.415 -11.025 1.681 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.159 -8.628 2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.945 -9.184 0.459 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.182 -8.442 0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.819 -8.495 2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.054 -10.082 1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.545 -9.052 3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.580 -6.420 1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.743 -6.896 2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.092 -6.491 1.073 1.00 0.00 H new ATOM 596 N PRO A 44 2.238 -11.822 0.005 1.00 0.00 N ATOM 597 CA PRO A 44 3.176 -12.636 -0.773 1.00 0.00 C ATOM 598 C PRO A 44 4.459 -11.882 -1.107 1.00 0.00 C ATOM 599 O PRO A 44 5.561 -12.380 -0.879 1.00 0.00 O ATOM 600 CB PRO A 44 2.395 -12.955 -2.050 1.00 0.00 C ATOM 601 CG PRO A 44 1.410 -11.845 -2.179 1.00 0.00 C ATOM 602 CD PRO A 44 1.045 -11.449 -0.775 1.00 0.00 C ATOM 0 HA PRO A 44 3.501 -13.520 -0.224 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.055 -13.001 -2.916 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.895 -13.921 -1.978 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.840 -11.003 -2.722 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.530 -12.167 -2.735 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.833 -10.382 -0.700 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.156 -11.976 -0.427 1.00 0.00 H new ATOM 607 N LEU A 45 4.307 -10.678 -1.650 1.00 0.00 N ATOM 608 CA LEU A 45 5.454 -9.855 -2.015 1.00 0.00 C ATOM 609 C LEU A 45 6.427 -9.725 -0.847 1.00 0.00 C ATOM 610 O LEU A 45 6.030 -9.589 0.311 1.00 0.00 O ATOM 611 CB LEU A 45 4.990 -8.468 -2.462 1.00 0.00 C ATOM 612 CG LEU A 45 4.087 -8.428 -3.696 1.00 0.00 C ATOM 613 CD1 LEU A 45 4.434 -7.234 -4.573 1.00 0.00 C ATOM 614 CD2 LEU A 45 4.205 -9.724 -4.485 1.00 0.00 C ATOM 0 H LEU A 45 3.402 -10.251 -1.847 1.00 0.00 H new ATOM 0 HA LEU A 45 5.971 -10.343 -2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.460 -8.000 -1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.871 -7.859 -2.661 1.00 0.00 H new ATOM 0 HG LEU A 45 3.054 -8.321 -3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.781 -7.222 -5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.298 -6.314 -4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.472 -7.310 -4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.556 -9.678 -5.359 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.237 -9.862 -4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.906 -10.562 -3.855 1.00 0.00 H new ATOM 625 N PRO A 46 7.731 -9.767 -1.155 1.00 0.00 N ATOM 626 CA PRO A 46 8.788 -9.653 -0.145 1.00 0.00 C ATOM 627 C PRO A 46 8.872 -8.252 0.451 1.00 0.00 C ATOM 628 O PRO A 46 7.982 -7.426 0.250 1.00 0.00 O ATOM 629 CB PRO A 46 10.063 -9.979 -0.926 1.00 0.00 C ATOM 630 CG PRO A 46 9.741 -9.633 -2.339 1.00 0.00 C ATOM 631 CD PRO A 46 8.277 -9.926 -2.514 1.00 0.00 C ATOM 0 HA PRO A 46 8.612 -10.313 0.704 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.911 -9.400 -0.560 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.330 -11.031 -0.827 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.956 -8.584 -2.543 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.342 -10.222 -3.032 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.811 -9.236 -3.217 1.00 0.00 H new ATOM 0 HD3 PRO A 46 8.112 -10.933 -2.898 1.00 0.00 H new ATOM 636 N GLY A 47 9.949 -7.989 1.183 1.00 0.00 N ATOM 637 CA GLY A 47 10.131 -6.686 1.796 1.00 0.00 C ATOM 638 C GLY A 47 10.703 -5.666 0.832 1.00 0.00 C ATOM 639 O GLY A 47 10.295 -4.504 0.831 1.00 0.00 O ATOM 0 H GLY A 47 10.700 -8.655 1.363 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.173 -6.328 2.172 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.795 -6.782 2.655 1.00 0.00 H new ATOM 643 N TYR A 48 11.651 -6.099 0.008 1.00 0.00 N ATOM 644 CA TYR A 48 12.284 -5.214 -0.962 1.00 0.00 C ATOM 645 C TYR A 48 11.305 -4.829 -2.067 1.00 0.00 C ATOM 646 O TYR A 48 11.290 -3.688 -2.528 1.00 0.00 O ATOM 647 CB TYR A 48 13.516 -5.888 -1.569 1.00 0.00 C ATOM 648 CG TYR A 48 13.197 -7.133 -2.364 1.00 0.00 C ATOM 649 CD1 TYR A 48 12.915 -7.061 -3.722 1.00 0.00 C ATOM 650 CD2 TYR A 48 13.176 -8.382 -1.756 1.00 0.00 C ATOM 651 CE1 TYR A 48 12.622 -8.197 -4.452 1.00 0.00 C ATOM 652 CE2 TYR A 48 12.885 -9.523 -2.479 1.00 0.00 C ATOM 653 CZ TYR A 48 12.609 -9.425 -3.826 1.00 0.00 C ATOM 654 OH TYR A 48 12.317 -10.560 -4.548 1.00 0.00 O ATOM 0 H TYR A 48 11.998 -7.058 -0.007 1.00 0.00 H new ATOM 0 HA TYR A 48 12.593 -4.307 -0.442 1.00 0.00 H new ATOM 0 HB2 TYR A 48 14.027 -5.175 -2.216 1.00 0.00 H new ATOM 0 HB3 TYR A 48 14.209 -6.146 -0.769 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.925 -6.101 -4.216 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.391 -8.462 -0.701 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.404 -8.123 -5.507 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.874 -10.487 -1.991 1.00 0.00 H new ATOM 0 HH TYR A 48 12.351 -11.341 -3.957 1.00 0.00 H new ATOM 663 N ARG A 49 10.489 -5.790 -2.486 1.00 0.00 N ATOM 664 CA ARG A 49 9.506 -5.554 -3.538 1.00 0.00 C ATOM 665 C ARG A 49 8.613 -4.366 -3.189 1.00 0.00 C ATOM 666 O ARG A 49 8.389 -3.481 -4.015 1.00 0.00 O ATOM 667 CB ARG A 49 8.650 -6.802 -3.755 1.00 0.00 C ATOM 668 CG ARG A 49 9.168 -7.712 -4.857 1.00 0.00 C ATOM 669 CD ARG A 49 8.321 -7.603 -6.115 1.00 0.00 C ATOM 670 NE ARG A 49 7.899 -8.912 -6.606 1.00 0.00 N ATOM 671 CZ ARG A 49 8.700 -9.743 -7.263 1.00 0.00 C ATOM 672 NH1 ARG A 49 9.958 -9.404 -7.506 1.00 0.00 N ATOM 673 NH2 ARG A 49 8.241 -10.917 -7.678 1.00 0.00 N ATOM 0 H ARG A 49 10.488 -6.740 -2.114 1.00 0.00 H new ATOM 0 HA ARG A 49 10.043 -5.326 -4.459 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.601 -7.365 -2.823 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.632 -6.496 -3.996 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.201 -7.452 -5.089 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.170 -8.744 -4.507 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.442 -6.993 -5.908 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.889 -7.091 -6.891 1.00 0.00 H new ATOM 0 HE ARG A 49 6.937 -9.204 -6.435 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.314 -8.502 -7.188 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.570 -10.045 -8.011 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.273 -11.181 -7.492 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.856 -11.556 -8.183 1.00 0.00 H new ATOM 684 N VAL A 50 8.105 -4.354 -1.961 1.00 0.00 N ATOM 685 CA VAL A 50 7.237 -3.276 -1.503 1.00 0.00 C ATOM 686 C VAL A 50 8.004 -1.963 -1.392 1.00 0.00 C ATOM 687 O VAL A 50 7.647 -0.968 -2.022 1.00 0.00 O ATOM 688 CB VAL A 50 6.604 -3.605 -0.138 1.00 0.00 C ATOM 689 CG1 VAL A 50 5.578 -2.549 0.243 1.00 0.00 C ATOM 690 CG2 VAL A 50 5.973 -4.989 -0.165 1.00 0.00 C ATOM 0 H VAL A 50 8.280 -5.079 -1.265 1.00 0.00 H new ATOM 0 HA VAL A 50 6.446 -3.170 -2.245 1.00 0.00 H new ATOM 0 HB VAL A 50 7.389 -3.603 0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.141 -2.798 1.210 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.064 -1.575 0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.792 -2.516 -0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.530 -5.206 0.807 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.199 -5.021 -0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.737 -5.733 -0.390 1.00 0.00 H new ATOM 700 N ARG A 51 9.061 -1.968 -0.586 1.00 0.00 N ATOM 701 CA ARG A 51 9.879 -0.777 -0.391 1.00 0.00 C ATOM 702 C ARG A 51 10.328 -0.200 -1.730 1.00 0.00 C ATOM 703 O ARG A 51 10.396 1.016 -1.901 1.00 0.00 O ATOM 704 CB ARG A 51 11.100 -1.107 0.470 1.00 0.00 C ATOM 705 CG ARG A 51 12.037 0.073 0.675 1.00 0.00 C ATOM 706 CD ARG A 51 13.448 -0.247 0.209 1.00 0.00 C ATOM 707 NE ARG A 51 14.429 -0.081 1.278 1.00 0.00 N ATOM 708 CZ ARG A 51 15.730 -0.295 1.121 1.00 0.00 C ATOM 709 NH1 ARG A 51 16.204 -0.683 -0.056 1.00 0.00 N ATOM 710 NH2 ARG A 51 16.560 -0.122 2.142 1.00 0.00 N ATOM 0 H ARG A 51 9.371 -2.784 -0.058 1.00 0.00 H new ATOM 0 HA ARG A 51 9.273 -0.030 0.121 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.762 -1.465 1.442 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.653 -1.923 0.004 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.660 0.937 0.129 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.054 0.346 1.730 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.484 -1.272 -0.160 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.710 0.402 -0.627 1.00 0.00 H new ATOM 0 HE ARG A 51 14.097 0.216 2.196 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.569 -0.817 -0.842 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.204 -0.847 -0.174 1.00 0.00 H new ATOM 0 HH21 ARG A 51 16.199 0.176 3.048 1.00 0.00 H new ATOM 0 HH22 ARG A 51 17.559 -0.287 2.020 1.00 0.00 H new ATOM 721 N GLU A 52 10.633 -1.083 -2.677 1.00 0.00 N ATOM 722 CA GLU A 52 11.076 -0.661 -4.000 1.00 0.00 C ATOM 723 C GLU A 52 9.920 -0.063 -4.796 1.00 0.00 C ATOM 724 O GLU A 52 10.016 1.055 -5.304 1.00 0.00 O ATOM 725 CB GLU A 52 11.677 -1.843 -4.762 1.00 0.00 C ATOM 726 CG GLU A 52 12.061 -1.513 -6.195 1.00 0.00 C ATOM 727 CD GLU A 52 12.633 -2.706 -6.935 1.00 0.00 C ATOM 728 OE1 GLU A 52 12.467 -3.843 -6.447 1.00 0.00 O ATOM 729 OE2 GLU A 52 13.249 -2.502 -8.003 1.00 0.00 O ATOM 0 H GLU A 52 10.581 -2.094 -2.552 1.00 0.00 H new ATOM 0 HA GLU A 52 11.840 0.105 -3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.561 -2.195 -4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.960 -2.664 -4.767 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.183 -1.147 -6.727 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.793 -0.705 -6.194 1.00 0.00 H new ATOM 734 N ILE A 53 8.830 -0.815 -4.900 1.00 0.00 N ATOM 735 CA ILE A 53 7.656 -0.359 -5.633 1.00 0.00 C ATOM 736 C ILE A 53 7.268 1.059 -5.225 1.00 0.00 C ATOM 737 O ILE A 53 6.903 1.881 -6.065 1.00 0.00 O ATOM 738 CB ILE A 53 6.453 -1.293 -5.406 1.00 0.00 C ATOM 739 CG1 ILE A 53 6.671 -2.627 -6.124 1.00 0.00 C ATOM 740 CG2 ILE A 53 5.170 -0.631 -5.885 1.00 0.00 C ATOM 741 CD1 ILE A 53 5.935 -3.785 -5.487 1.00 0.00 C ATOM 0 H ILE A 53 8.735 -1.742 -4.486 1.00 0.00 H new ATOM 0 HA ILE A 53 7.921 -0.370 -6.690 1.00 0.00 H new ATOM 0 HB ILE A 53 6.361 -1.488 -4.338 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.349 -2.529 -7.161 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.738 -2.851 -6.141 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.329 -1.304 -5.718 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.010 0.295 -5.332 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.251 -0.409 -6.949 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.136 -4.697 -6.049 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.274 -3.910 -4.459 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.864 -3.583 -5.494 1.00 0.00 H new ATOM 752 N THR A 54 7.353 1.340 -3.929 1.00 0.00 N ATOM 753 CA THR A 54 7.012 2.657 -3.408 1.00 0.00 C ATOM 754 C THR A 54 8.074 3.687 -3.781 1.00 0.00 C ATOM 755 O THR A 54 7.776 4.696 -4.418 1.00 0.00 O ATOM 756 CB THR A 54 6.853 2.633 -1.877 1.00 0.00 C ATOM 757 OG1 THR A 54 6.593 1.296 -1.433 1.00 0.00 O ATOM 758 CG2 THR A 54 5.720 3.548 -1.436 1.00 0.00 C ATOM 0 H THR A 54 7.656 0.672 -3.220 1.00 0.00 H new ATOM 0 HA THR A 54 6.061 2.938 -3.860 1.00 0.00 H new ATOM 0 HB THR A 54 7.782 2.990 -1.431 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.400 0.751 -1.545 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.627 3.514 -0.351 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.934 4.570 -1.750 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.787 3.216 -1.891 1.00 0.00 H new ATOM 766 N GLU A 55 9.313 3.423 -3.378 1.00 0.00 N ATOM 767 CA GLU A 55 10.419 4.329 -3.670 1.00 0.00 C ATOM 768 C GLU A 55 10.473 4.660 -5.159 1.00 0.00 C ATOM 769 O GLU A 55 10.828 5.771 -5.545 1.00 0.00 O ATOM 770 CB GLU A 55 11.745 3.709 -3.226 1.00 0.00 C ATOM 771 CG GLU A 55 12.456 4.502 -2.142 1.00 0.00 C ATOM 772 CD GLU A 55 13.820 4.998 -2.581 1.00 0.00 C ATOM 773 OE1 GLU A 55 14.616 4.175 -3.081 1.00 0.00 O ATOM 774 OE2 GLU A 55 14.092 6.206 -2.423 1.00 0.00 O ATOM 0 H GLU A 55 9.576 2.591 -2.850 1.00 0.00 H new ATOM 0 HA GLU A 55 10.254 5.253 -3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.560 2.698 -2.862 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.403 3.621 -4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.839 5.354 -1.856 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.569 3.878 -1.255 1.00 0.00 H new ATOM 779 N ASN A 56 10.117 3.684 -5.989 1.00 0.00 N ATOM 780 CA ASN A 56 10.125 3.871 -7.435 1.00 0.00 C ATOM 781 C ASN A 56 8.799 4.452 -7.916 1.00 0.00 C ATOM 782 O ASN A 56 8.724 5.051 -8.990 1.00 0.00 O ATOM 783 CB ASN A 56 10.397 2.540 -8.140 1.00 0.00 C ATOM 784 CG ASN A 56 11.861 2.362 -8.494 1.00 0.00 C ATOM 785 OD1 ASN A 56 12.731 2.412 -7.624 1.00 0.00 O ATOM 786 ND2 ASN A 56 12.139 2.153 -9.776 1.00 0.00 N ATOM 0 H ASN A 56 9.820 2.757 -5.685 1.00 0.00 H new ATOM 0 HA ASN A 56 10.920 4.575 -7.681 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.079 1.720 -7.497 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.797 2.484 -9.048 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.106 2.026 -10.074 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.385 2.119 -10.462 1.00 0.00 H new ATOM 792 N LEU A 57 7.755 4.272 -7.115 1.00 0.00 N ATOM 793 CA LEU A 57 6.430 4.779 -7.458 1.00 0.00 C ATOM 794 C LEU A 57 6.432 6.304 -7.526 1.00 0.00 C ATOM 795 O LEU A 57 6.136 6.888 -8.567 1.00 0.00 O ATOM 796 CB LEU A 57 5.399 4.305 -6.432 1.00 0.00 C ATOM 797 CG LEU A 57 4.412 3.243 -6.916 1.00 0.00 C ATOM 798 CD1 LEU A 57 3.428 2.888 -5.813 1.00 0.00 C ATOM 799 CD2 LEU A 57 3.674 3.726 -8.156 1.00 0.00 C ATOM 0 H LEU A 57 7.800 3.779 -6.223 1.00 0.00 H new ATOM 0 HA LEU A 57 6.162 4.389 -8.440 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.932 3.910 -5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.832 5.171 -6.090 1.00 0.00 H new ATOM 0 HG LEU A 57 4.973 2.346 -7.178 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.733 2.131 -6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.971 2.499 -4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.873 3.779 -5.520 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.976 2.957 -8.486 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.125 4.638 -7.921 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.392 3.930 -8.950 1.00 0.00 H new ATOM 810 N MET A 58 6.770 6.941 -6.409 1.00 0.00 N ATOM 811 CA MET A 58 6.813 8.397 -6.345 1.00 0.00 C ATOM 812 C MET A 58 8.148 8.924 -6.862 1.00 0.00 C ATOM 813 O MET A 58 8.332 10.132 -7.013 1.00 0.00 O ATOM 814 CB MET A 58 6.587 8.871 -4.908 1.00 0.00 C ATOM 815 CG MET A 58 7.566 8.275 -3.909 1.00 0.00 C ATOM 816 SD MET A 58 8.961 9.365 -3.569 1.00 0.00 S ATOM 817 CE MET A 58 8.989 9.330 -1.779 1.00 0.00 C ATOM 0 H MET A 58 7.018 6.472 -5.538 1.00 0.00 H new ATOM 0 HA MET A 58 6.018 8.788 -6.979 1.00 0.00 H new ATOM 0 HB2 MET A 58 6.665 9.958 -4.876 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.571 8.615 -4.606 1.00 0.00 H new ATOM 0 HG2 MET A 58 7.043 8.060 -2.977 1.00 0.00 H new ATOM 0 HG3 MET A 58 7.937 7.325 -4.293 1.00 0.00 H new ATOM 0 HE1 MET A 58 9.637 10.125 -1.410 1.00 0.00 H new ATOM 0 HE2 MET A 58 7.979 9.478 -1.396 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.368 8.366 -1.440 1.00 0.00 H new ATOM 825 N ALA A 59 9.075 8.012 -7.132 1.00 0.00 N ATOM 826 CA ALA A 59 10.392 8.386 -7.633 1.00 0.00 C ATOM 827 C ALA A 59 10.280 9.403 -8.764 1.00 0.00 C ATOM 828 O ALA A 59 11.198 10.190 -9.000 1.00 0.00 O ATOM 829 CB ALA A 59 11.148 7.152 -8.105 1.00 0.00 C ATOM 0 H ALA A 59 8.939 7.008 -7.012 1.00 0.00 H new ATOM 0 HA ALA A 59 10.946 8.848 -6.816 1.00 0.00 H new ATOM 0 HB1 ALA A 59 12.130 7.447 -8.476 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.268 6.458 -7.273 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.588 6.666 -8.904 1.00 0.00 H new ATOM 835 N THR A 60 9.149 9.383 -9.462 1.00 0.00 N ATOM 836 CA THR A 60 8.917 10.302 -10.569 1.00 0.00 C ATOM 837 C THR A 60 7.915 11.384 -10.185 1.00 0.00 C ATOM 838 O THR A 60 8.215 12.575 -10.254 1.00 0.00 O ATOM 839 CB THR A 60 8.402 9.561 -11.817 1.00 0.00 C ATOM 840 OG1 THR A 60 7.510 8.510 -11.429 1.00 0.00 O ATOM 841 CG2 THR A 60 9.559 8.980 -12.618 1.00 0.00 C ATOM 0 H THR A 60 8.379 8.740 -9.280 1.00 0.00 H new ATOM 0 HA THR A 60 9.876 10.765 -10.801 1.00 0.00 H new ATOM 0 HB THR A 60 7.870 10.277 -12.443 1.00 0.00 H new ATOM 0 HG1 THR A 60 7.185 8.045 -12.228 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.171 8.461 -13.495 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.221 9.785 -12.937 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.115 8.277 -11.997 1.00 0.00 H new ATOM 849 N GLY A 61 6.721 10.961 -9.780 1.00 0.00 N ATOM 850 CA GLY A 61 5.692 11.907 -9.390 1.00 0.00 C ATOM 851 C GLY A 61 4.359 11.236 -9.121 1.00 0.00 C ATOM 852 O GLY A 61 3.316 11.711 -9.571 1.00 0.00 O ATOM 0 H GLY A 61 6.448 9.980 -9.715 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.014 12.441 -8.496 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.569 12.650 -10.178 1.00 0.00 H new ATOM 856 N ASP A 62 4.393 10.130 -8.389 1.00 0.00 N ATOM 857 CA ASP A 62 3.178 9.391 -8.062 1.00 0.00 C ATOM 858 C ASP A 62 2.603 9.855 -6.727 1.00 0.00 C ATOM 859 O ASP A 62 1.441 10.253 -6.644 1.00 0.00 O ATOM 860 CB ASP A 62 3.465 7.889 -8.014 1.00 0.00 C ATOM 861 CG ASP A 62 3.511 7.265 -9.394 1.00 0.00 C ATOM 862 OD1 ASP A 62 4.317 7.727 -10.229 1.00 0.00 O ATOM 863 OD2 ASP A 62 2.742 6.312 -9.640 1.00 0.00 O ATOM 0 H ASP A 62 5.248 9.724 -8.010 1.00 0.00 H new ATOM 0 HA ASP A 62 2.442 9.587 -8.842 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.416 7.720 -7.510 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.697 7.394 -7.420 1.00 0.00 H new ATOM 867 N LEU A 63 3.424 9.800 -5.684 1.00 0.00 N ATOM 868 CA LEU A 63 2.998 10.212 -4.352 1.00 0.00 C ATOM 869 C LEU A 63 3.400 11.658 -4.075 1.00 0.00 C ATOM 870 O LEU A 63 3.068 12.216 -3.029 1.00 0.00 O ATOM 871 CB LEU A 63 3.604 9.292 -3.292 1.00 0.00 C ATOM 872 CG LEU A 63 3.286 7.802 -3.436 1.00 0.00 C ATOM 873 CD1 LEU A 63 3.021 7.452 -4.892 1.00 0.00 C ATOM 874 CD2 LEU A 63 4.424 6.958 -2.881 1.00 0.00 C ATOM 0 H LEU A 63 4.389 9.474 -5.736 1.00 0.00 H new ATOM 0 HA LEU A 63 1.911 10.140 -4.308 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.687 9.415 -3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.260 9.624 -2.312 1.00 0.00 H new ATOM 0 HG LEU A 63 2.386 7.584 -2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.797 6.389 -4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.173 8.032 -5.257 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.903 7.685 -5.488 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.181 5.901 -2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.341 7.179 -3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.567 7.189 -1.825 1.00 0.00 H new ATOM 885 N ASP A 64 4.114 12.260 -5.020 1.00 0.00 N ATOM 886 CA ASP A 64 4.558 13.641 -4.881 1.00 0.00 C ATOM 887 C ASP A 64 3.394 14.551 -4.502 1.00 0.00 C ATOM 888 O ASP A 64 3.591 15.623 -3.933 1.00 0.00 O ATOM 889 CB ASP A 64 5.200 14.127 -6.180 1.00 0.00 C ATOM 890 CG ASP A 64 6.376 15.052 -5.935 1.00 0.00 C ATOM 891 OD1 ASP A 64 7.477 14.545 -5.634 1.00 0.00 O ATOM 892 OD2 ASP A 64 6.195 16.282 -6.045 1.00 0.00 O ATOM 0 H ASP A 64 4.398 11.812 -5.891 1.00 0.00 H new ATOM 0 HA ASP A 64 5.300 13.679 -4.083 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.533 13.267 -6.761 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.452 14.646 -6.779 1.00 0.00 H new ATOM 896 N GLN A 65 2.180 14.114 -4.824 1.00 0.00 N ATOM 897 CA GLN A 65 0.984 14.891 -4.520 1.00 0.00 C ATOM 898 C GLN A 65 0.978 15.333 -3.060 1.00 0.00 C ATOM 899 O GLN A 65 0.484 16.411 -2.729 1.00 0.00 O ATOM 900 CB GLN A 65 -0.272 14.072 -4.822 1.00 0.00 C ATOM 901 CG GLN A 65 -0.644 13.097 -3.717 1.00 0.00 C ATOM 902 CD GLN A 65 -1.963 12.396 -3.975 1.00 0.00 C ATOM 903 OE1 GLN A 65 -3.023 13.021 -3.969 1.00 0.00 O ATOM 904 NE2 GLN A 65 -1.903 11.090 -4.206 1.00 0.00 N ATOM 0 H GLN A 65 1.999 13.227 -5.295 1.00 0.00 H new ATOM 0 HA GLN A 65 0.990 15.781 -5.150 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.107 14.752 -4.991 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.120 13.518 -5.748 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.145 12.352 -3.615 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.701 13.633 -2.769 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.002 10.612 -4.201 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.758 10.564 -4.388 1.00 0.00 H new ATOM 911 N ASP A 66 1.530 14.493 -2.191 1.00 0.00 N ATOM 912 CA ASP A 66 1.589 14.797 -0.767 1.00 0.00 C ATOM 913 C ASP A 66 2.768 14.088 -0.108 1.00 0.00 C ATOM 914 O ASP A 66 3.440 14.650 0.756 1.00 0.00 O ATOM 915 CB ASP A 66 0.285 14.388 -0.081 1.00 0.00 C ATOM 916 CG ASP A 66 -0.339 15.526 0.703 1.00 0.00 C ATOM 917 OD1 ASP A 66 0.379 16.157 1.506 1.00 0.00 O ATOM 918 OD2 ASP A 66 -1.546 15.784 0.512 1.00 0.00 O ATOM 0 H ASP A 66 1.943 13.596 -2.448 1.00 0.00 H new ATOM 0 HA ASP A 66 1.727 15.873 -0.657 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.423 14.037 -0.832 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.478 13.551 0.590 1.00 0.00 H new ATOM 922 N GLY A 67 3.014 12.848 -0.523 1.00 0.00 N ATOM 923 CA GLY A 67 4.112 12.082 0.038 1.00 0.00 C ATOM 924 C GLY A 67 3.636 10.877 0.824 1.00 0.00 C ATOM 925 O GLY A 67 4.406 9.952 1.083 1.00 0.00 O ATOM 0 H GLY A 67 2.473 12.361 -1.237 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.768 11.751 -0.767 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.705 12.725 0.688 1.00 0.00 H new ATOM 929 N ARG A 68 2.363 10.887 1.207 1.00 0.00 N ATOM 930 CA ARG A 68 1.785 9.787 1.970 1.00 0.00 C ATOM 931 C ARG A 68 1.332 8.661 1.045 1.00 0.00 C ATOM 932 O ARG A 68 1.662 8.649 -0.141 1.00 0.00 O ATOM 933 CB ARG A 68 0.603 10.284 2.804 1.00 0.00 C ATOM 934 CG ARG A 68 0.929 11.493 3.665 1.00 0.00 C ATOM 935 CD ARG A 68 0.393 12.777 3.050 1.00 0.00 C ATOM 936 NE ARG A 68 -0.012 13.742 4.067 1.00 0.00 N ATOM 937 CZ ARG A 68 0.844 14.381 4.857 1.00 0.00 C ATOM 938 NH1 ARG A 68 2.146 14.155 4.748 1.00 0.00 N ATOM 939 NH2 ARG A 68 0.398 15.246 5.759 1.00 0.00 N ATOM 0 H ARG A 68 1.712 11.645 1.001 1.00 0.00 H new ATOM 0 HA ARG A 68 2.554 9.397 2.637 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.221 10.536 2.136 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.257 9.474 3.446 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.502 11.359 4.659 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.009 11.571 3.790 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.158 13.221 2.413 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.459 12.545 2.411 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.007 13.937 4.177 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.492 13.490 4.057 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.802 14.647 5.355 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.603 15.421 5.846 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.056 15.736 6.365 1.00 0.00 H new ATOM 950 N ILE A 69 0.577 7.719 1.596 1.00 0.00 N ATOM 951 CA ILE A 69 0.079 6.589 0.821 1.00 0.00 C ATOM 952 C ILE A 69 -1.286 6.134 1.326 1.00 0.00 C ATOM 953 O ILE A 69 -1.392 5.511 2.382 1.00 0.00 O ATOM 954 CB ILE A 69 1.054 5.398 0.869 1.00 0.00 C ATOM 955 CG1 ILE A 69 2.397 5.786 0.247 1.00 0.00 C ATOM 956 CG2 ILE A 69 0.459 4.196 0.153 1.00 0.00 C ATOM 957 CD1 ILE A 69 3.477 4.745 0.443 1.00 0.00 C ATOM 0 H ILE A 69 0.296 7.715 2.577 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.013 6.931 -0.210 1.00 0.00 H new ATOM 0 HB ILE A 69 1.222 5.127 1.911 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.258 5.957 -0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.730 6.729 0.680 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.161 3.363 0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.475 3.910 0.637 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.264 4.453 -0.888 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.401 5.087 -0.024 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.644 4.591 1.509 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.165 3.806 -0.015 1.00 0.00 H new ATOM 968 N SER A 70 -2.328 6.448 0.563 1.00 0.00 N ATOM 969 CA SER A 70 -3.688 6.074 0.935 1.00 0.00 C ATOM 970 C SER A 70 -3.959 4.611 0.597 1.00 0.00 C ATOM 971 O SER A 70 -3.338 4.042 -0.301 1.00 0.00 O ATOM 972 CB SER A 70 -4.700 6.970 0.219 1.00 0.00 C ATOM 973 OG SER A 70 -5.339 6.274 -0.839 1.00 0.00 O ATOM 0 H SER A 70 -2.257 6.960 -0.316 1.00 0.00 H new ATOM 0 HA SER A 70 -3.794 6.207 2.012 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.447 7.321 0.931 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.195 7.852 -0.175 1.00 0.00 H new ATOM 0 HG SER A 70 -5.982 6.868 -1.280 1.00 0.00 H new ATOM 978 N PHE A 71 -4.891 4.005 1.326 1.00 0.00 N ATOM 979 CA PHE A 71 -5.245 2.608 1.107 1.00 0.00 C ATOM 980 C PHE A 71 -5.435 2.321 -0.380 1.00 0.00 C ATOM 981 O PHE A 71 -5.101 1.239 -0.862 1.00 0.00 O ATOM 982 CB PHE A 71 -6.524 2.257 1.872 1.00 0.00 C ATOM 983 CG PHE A 71 -6.771 0.780 1.982 1.00 0.00 C ATOM 984 CD1 PHE A 71 -5.714 -0.104 2.128 1.00 0.00 C ATOM 985 CD2 PHE A 71 -8.061 0.275 1.937 1.00 0.00 C ATOM 986 CE1 PHE A 71 -5.938 -1.464 2.228 1.00 0.00 C ATOM 987 CE2 PHE A 71 -8.291 -1.083 2.038 1.00 0.00 C ATOM 988 CZ PHE A 71 -7.229 -1.954 2.183 1.00 0.00 C ATOM 0 H PHE A 71 -5.415 4.460 2.074 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.427 1.990 1.477 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.467 2.683 2.874 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.375 2.723 1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.703 0.274 2.164 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -8.895 0.951 1.822 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.105 -2.143 2.341 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -9.301 -1.464 2.004 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.407 -3.016 2.261 1.00 0.00 H new ATOM 997 N ASP A 72 -5.972 3.299 -1.100 1.00 0.00 N ATOM 998 CA ASP A 72 -6.205 3.154 -2.533 1.00 0.00 C ATOM 999 C ASP A 72 -4.918 2.772 -3.257 1.00 0.00 C ATOM 1000 O ASP A 72 -4.880 1.789 -3.996 1.00 0.00 O ATOM 1001 CB ASP A 72 -6.766 4.453 -3.114 1.00 0.00 C ATOM 1002 CG ASP A 72 -7.265 4.283 -4.535 1.00 0.00 C ATOM 1003 OD1 ASP A 72 -7.917 5.216 -5.051 1.00 0.00 O ATOM 1004 OD2 ASP A 72 -7.001 3.219 -5.133 1.00 0.00 O ATOM 0 H ASP A 72 -6.254 4.201 -0.716 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.933 2.356 -2.679 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.583 4.806 -2.485 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.993 5.221 -3.093 1.00 0.00 H new ATOM 1008 N GLU A 73 -3.868 3.557 -3.039 1.00 0.00 N ATOM 1009 CA GLU A 73 -2.580 3.300 -3.673 1.00 0.00 C ATOM 1010 C GLU A 73 -2.057 1.915 -3.303 1.00 0.00 C ATOM 1011 O GLU A 73 -1.562 1.178 -4.156 1.00 0.00 O ATOM 1012 CB GLU A 73 -1.563 4.367 -3.264 1.00 0.00 C ATOM 1013 CG GLU A 73 -1.229 5.348 -4.376 1.00 0.00 C ATOM 1014 CD GLU A 73 -2.176 6.531 -4.415 1.00 0.00 C ATOM 1015 OE1 GLU A 73 -3.404 6.308 -4.369 1.00 0.00 O ATOM 1016 OE2 GLU A 73 -1.690 7.679 -4.493 1.00 0.00 O ATOM 0 H GLU A 73 -3.883 4.375 -2.429 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.722 3.339 -4.753 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.952 4.919 -2.409 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.646 3.877 -2.936 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.209 5.708 -4.243 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.262 4.830 -5.334 1.00 0.00 H new ATOM 1021 N PHE A 74 -2.169 1.569 -2.025 1.00 0.00 N ATOM 1022 CA PHE A 74 -1.707 0.274 -1.540 1.00 0.00 C ATOM 1023 C PHE A 74 -2.334 -0.862 -2.342 1.00 0.00 C ATOM 1024 O PHE A 74 -1.634 -1.746 -2.838 1.00 0.00 O ATOM 1025 CB PHE A 74 -2.042 0.112 -0.057 1.00 0.00 C ATOM 1026 CG PHE A 74 -1.796 -1.275 0.466 1.00 0.00 C ATOM 1027 CD1 PHE A 74 -2.696 -2.296 0.210 1.00 0.00 C ATOM 1028 CD2 PHE A 74 -0.663 -1.557 1.213 1.00 0.00 C ATOM 1029 CE1 PHE A 74 -2.473 -3.573 0.689 1.00 0.00 C ATOM 1030 CE2 PHE A 74 -0.434 -2.832 1.694 1.00 0.00 C ATOM 1031 CZ PHE A 74 -1.341 -3.841 1.432 1.00 0.00 C ATOM 0 H PHE A 74 -2.576 2.168 -1.306 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.625 0.231 -1.667 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.448 0.820 0.521 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -3.089 0.371 0.101 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.583 -2.092 -0.371 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.049 -0.772 1.421 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.183 -4.360 0.482 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.453 -3.040 2.274 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.164 -4.838 1.808 1.00 0.00 H new ATOM 1040 N ILE A 75 -3.657 -0.833 -2.464 1.00 0.00 N ATOM 1041 CA ILE A 75 -4.378 -1.859 -3.205 1.00 0.00 C ATOM 1042 C ILE A 75 -3.895 -1.936 -4.650 1.00 0.00 C ATOM 1043 O ILE A 75 -3.478 -2.994 -5.121 1.00 0.00 O ATOM 1044 CB ILE A 75 -5.896 -1.598 -3.197 1.00 0.00 C ATOM 1045 CG1 ILE A 75 -6.432 -1.624 -1.764 1.00 0.00 C ATOM 1046 CG2 ILE A 75 -6.615 -2.626 -4.057 1.00 0.00 C ATOM 1047 CD1 ILE A 75 -6.169 -2.929 -1.045 1.00 0.00 C ATOM 0 H ILE A 75 -4.251 -0.110 -2.059 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.178 -2.807 -2.706 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.082 -0.609 -3.616 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.978 -0.809 -1.200 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.506 -1.439 -1.783 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.687 -2.428 -4.041 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.249 -2.563 -5.082 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.425 -3.625 -3.665 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.576 -2.876 -0.035 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.647 -3.745 -1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.095 -3.107 -0.995 1.00 0.00 H new ATOM 1058 N LYS A 76 -3.953 -0.808 -5.348 1.00 0.00 N ATOM 1059 CA LYS A 76 -3.519 -0.745 -6.739 1.00 0.00 C ATOM 1060 C LYS A 76 -2.102 -1.289 -6.891 1.00 0.00 C ATOM 1061 O LYS A 76 -1.766 -1.891 -7.911 1.00 0.00 O ATOM 1062 CB LYS A 76 -3.580 0.697 -7.249 1.00 0.00 C ATOM 1063 CG LYS A 76 -3.620 0.805 -8.764 1.00 0.00 C ATOM 1064 CD LYS A 76 -2.301 1.312 -9.321 1.00 0.00 C ATOM 1065 CE LYS A 76 -2.100 2.789 -9.021 1.00 0.00 C ATOM 1066 NZ LYS A 76 -1.104 3.411 -9.938 1.00 0.00 N ATOM 0 H LYS A 76 -4.297 0.076 -4.973 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.193 -1.363 -7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.463 1.183 -6.835 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.713 1.242 -6.877 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.846 -0.171 -9.194 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.424 1.478 -9.061 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.479 0.738 -8.893 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.274 1.152 -10.399 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.053 3.311 -9.112 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.768 2.908 -7.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.995 4.418 -9.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.188 2.930 -9.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.433 3.320 -10.921 1.00 0.00 H new ATOM 1076 N ILE A 77 -1.278 -1.075 -5.872 1.00 0.00 N ATOM 1077 CA ILE A 77 0.101 -1.547 -5.892 1.00 0.00 C ATOM 1078 C ILE A 77 0.167 -3.059 -5.713 1.00 0.00 C ATOM 1079 O ILE A 77 0.902 -3.749 -6.421 1.00 0.00 O ATOM 1080 CB ILE A 77 0.943 -0.874 -4.793 1.00 0.00 C ATOM 1081 CG1 ILE A 77 1.104 0.619 -5.085 1.00 0.00 C ATOM 1082 CG2 ILE A 77 2.304 -1.545 -4.681 1.00 0.00 C ATOM 1083 CD1 ILE A 77 1.307 1.460 -3.844 1.00 0.00 C ATOM 0 H ILE A 77 -1.541 -0.577 -5.021 1.00 0.00 H new ATOM 0 HA ILE A 77 0.511 -1.281 -6.866 1.00 0.00 H new ATOM 0 HB ILE A 77 0.424 -0.986 -3.841 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.954 0.761 -5.753 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.220 0.975 -5.614 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.887 -1.057 -3.900 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.171 -2.598 -4.431 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.830 -1.461 -5.632 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.414 2.507 -4.127 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.447 1.349 -3.184 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.207 1.131 -3.325 1.00 0.00 H new ATOM 1094 N PHE A 78 -0.608 -3.572 -4.763 1.00 0.00 N ATOM 1095 CA PHE A 78 -0.639 -5.004 -4.490 1.00 0.00 C ATOM 1096 C PHE A 78 -1.228 -5.770 -5.671 1.00 0.00 C ATOM 1097 O PHE A 78 -0.681 -6.787 -6.101 1.00 0.00 O ATOM 1098 CB PHE A 78 -1.454 -5.287 -3.226 1.00 0.00 C ATOM 1099 CG PHE A 78 -1.447 -6.733 -2.820 1.00 0.00 C ATOM 1100 CD1 PHE A 78 -0.258 -7.439 -2.742 1.00 0.00 C ATOM 1101 CD2 PHE A 78 -2.631 -7.386 -2.518 1.00 0.00 C ATOM 1102 CE1 PHE A 78 -0.249 -8.770 -2.368 1.00 0.00 C ATOM 1103 CE2 PHE A 78 -2.628 -8.717 -2.144 1.00 0.00 C ATOM 1104 CZ PHE A 78 -1.435 -9.409 -2.069 1.00 0.00 C ATOM 0 H PHE A 78 -1.224 -3.017 -4.169 1.00 0.00 H new ATOM 0 HA PHE A 78 0.386 -5.341 -4.336 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.060 -4.686 -2.407 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.484 -4.968 -3.388 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.673 -6.944 -2.976 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.567 -6.849 -2.575 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.685 -9.309 -2.310 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.557 -9.215 -1.911 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.430 -10.449 -1.777 1.00 0.00 H new ATOM 1113 N HIS A 79 -2.346 -5.275 -6.191 1.00 0.00 N ATOM 1114 CA HIS A 79 -3.010 -5.911 -7.323 1.00 0.00 C ATOM 1115 C HIS A 79 -2.195 -5.734 -8.601 1.00 0.00 C ATOM 1116 O HIS A 79 -2.166 -6.617 -9.457 1.00 0.00 O ATOM 1117 CB HIS A 79 -4.411 -5.329 -7.513 1.00 0.00 C ATOM 1118 CG HIS A 79 -5.470 -6.370 -7.711 1.00 0.00 C ATOM 1119 ND1 HIS A 79 -5.980 -6.697 -8.950 1.00 0.00 N ATOM 1120 CD2 HIS A 79 -6.115 -7.157 -6.820 1.00 0.00 C ATOM 1121 CE1 HIS A 79 -6.893 -7.642 -8.811 1.00 0.00 C ATOM 1122 NE2 HIS A 79 -6.995 -7.938 -7.528 1.00 0.00 N ATOM 0 H HIS A 79 -2.811 -4.435 -5.847 1.00 0.00 H new ATOM 0 HA HIS A 79 -3.093 -6.977 -7.111 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.666 -4.724 -6.642 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.404 -4.661 -8.374 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.966 -7.169 -5.750 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.460 -8.095 -9.611 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -7.625 -8.633 -7.128 1.00 0.00 H new ATOM 1129 N GLY A 80 -1.535 -4.587 -8.722 1.00 0.00 N ATOM 1130 CA GLY A 80 -0.731 -4.315 -9.900 1.00 0.00 C ATOM 1131 C GLY A 80 -1.506 -3.582 -10.976 1.00 0.00 C ATOM 1132 O GLY A 80 -0.918 -2.963 -11.863 1.00 0.00 O ATOM 0 H GLY A 80 -1.542 -3.841 -8.026 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.137 -3.721 -9.614 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.355 -5.255 -10.304 1.00 0.00 H new ATOM 1136 N LEU A 81 -2.831 -3.650 -10.899 1.00 0.00 N ATOM 1137 CA LEU A 81 -3.689 -2.989 -11.876 1.00 0.00 C ATOM 1138 C LEU A 81 -4.767 -2.163 -11.182 1.00 0.00 C ATOM 1139 O LEU A 81 -5.484 -2.660 -10.314 1.00 0.00 O ATOM 1140 CB LEU A 81 -4.337 -4.023 -12.798 1.00 0.00 C ATOM 1141 CG LEU A 81 -3.395 -4.754 -13.755 1.00 0.00 C ATOM 1142 CD1 LEU A 81 -3.722 -6.238 -13.796 1.00 0.00 C ATOM 1143 CD2 LEU A 81 -3.477 -4.149 -15.150 1.00 0.00 C ATOM 0 H LEU A 81 -3.334 -4.156 -10.170 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.070 -2.318 -12.472 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.842 -4.765 -12.180 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.105 -3.523 -13.388 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.375 -4.638 -13.389 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.041 -6.742 -14.482 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.611 -6.663 -12.798 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.748 -6.375 -14.137 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.800 -4.682 -15.818 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.497 -4.234 -15.524 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.192 -3.098 -15.108 1.00 0.00 H new ATOM 1154 N LYS A 82 -4.878 -0.898 -11.573 1.00 0.00 N ATOM 1155 CA LYS A 82 -5.872 -0.002 -10.992 1.00 0.00 C ATOM 1156 C LYS A 82 -7.280 -0.397 -11.423 1.00 0.00 C ATOM 1157 O LYS A 82 -8.039 -0.975 -10.645 1.00 0.00 O ATOM 1158 CB LYS A 82 -5.587 1.445 -11.405 1.00 0.00 C ATOM 1159 CG LYS A 82 -5.628 1.667 -12.907 1.00 0.00 C ATOM 1160 CD LYS A 82 -6.952 2.270 -13.345 1.00 0.00 C ATOM 1161 CE LYS A 82 -6.766 3.246 -14.498 1.00 0.00 C ATOM 1162 NZ LYS A 82 -6.065 4.487 -14.066 1.00 0.00 N ATOM 0 H LYS A 82 -4.292 -0.470 -12.290 1.00 0.00 H new ATOM 0 HA LYS A 82 -5.808 -0.084 -9.907 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.316 2.100 -10.929 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.605 1.735 -11.030 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.812 2.327 -13.201 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -5.472 0.718 -13.420 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -7.633 1.474 -13.647 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -7.415 2.784 -12.503 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.196 2.765 -15.293 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -7.739 3.505 -14.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -6.263 5.251 -14.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.401 4.765 -13.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.040 4.313 -14.031 1.00 0.00 H new TER 1172 LYS A 82