USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 773 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 14 SER OG : rot -135:sc= 1.29! USER MOD Set 1.2: A 16 THR OG1 : rot -87:sc= -3.57! USER MOD Set 1.3: A 19 ASN : amide:sc= -4.09! C(o=-6.4!,f=-8.9!) USER MOD Single : A 1 GLY N :NH3+ -168:sc= -0.0274 (180deg=-0.166) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc=-0.00469 X(o=-0.0047,f=-0.11) USER MOD Single : A 4 MET CE :methyl 155:sc= -0.0997 (180deg=-1.1) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 26 ASN : amide:sc= -4.4! C(o=-4.4!,f=-9.2!) USER MOD Single : A 28 ASN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -169:sc= 0.565 (180deg=0.413) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.901! K(o=-0.9!,f=-1.7) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2.43! C(o=-2.4!,f=-7!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot -130:sc= -3.28! USER MOD Single : A 67 SER OG : rot 180:sc= -2.58! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 76:sc= 0.515 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -2.02! C(o=-2!,f=-7.4!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 165:sc= -0.227 (180deg=-0.811) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.536 USER MOD Single : A 101 CYS SG : rot -19:sc= -0.0575 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 70.443 21.942 -28.655 1.00 0.00 N ATOM 2 CA GLY A 1 71.429 21.964 -29.774 1.00 0.00 C ATOM 3 C GLY A 1 71.360 20.643 -30.543 1.00 0.00 C ATOM 4 O GLY A 1 71.562 20.600 -31.740 1.00 0.00 O ATOM 0 H1 GLY A 1 70.343 22.900 -28.262 1.00 0.00 H new ATOM 0 H2 GLY A 1 69.522 21.615 -29.010 1.00 0.00 H new ATOM 0 H3 GLY A 1 70.776 21.296 -27.911 1.00 0.00 H new ATOM 0 HA2 GLY A 1 71.217 22.798 -30.443 1.00 0.00 H new ATOM 0 HA3 GLY A 1 72.435 22.117 -29.383 1.00 0.00 H new ATOM 10 N SER A 2 71.076 19.565 -29.864 1.00 0.00 N ATOM 11 CA SER A 2 70.995 18.247 -30.557 1.00 0.00 C ATOM 12 C SER A 2 69.663 17.563 -30.237 1.00 0.00 C ATOM 13 O SER A 2 68.742 18.178 -29.740 1.00 0.00 O ATOM 14 CB SER A 2 72.163 17.435 -30.000 1.00 0.00 C ATOM 15 OG SER A 2 73.375 18.148 -30.213 1.00 0.00 O ATOM 0 H SER A 2 70.897 19.540 -28.860 1.00 0.00 H new ATOM 0 HA SER A 2 71.048 18.346 -31.641 1.00 0.00 H new ATOM 0 HB2 SER A 2 72.018 17.251 -28.935 1.00 0.00 H new ATOM 0 HB3 SER A 2 72.210 16.462 -30.488 1.00 0.00 H new ATOM 0 HG SER A 2 74.126 17.630 -29.855 1.00 0.00 H new ATOM 21 N HIS A 3 69.556 16.293 -30.520 1.00 0.00 N ATOM 22 CA HIS A 3 68.283 15.570 -30.232 1.00 0.00 C ATOM 23 C HIS A 3 68.536 14.427 -29.246 1.00 0.00 C ATOM 24 O HIS A 3 67.788 13.472 -29.183 1.00 0.00 O ATOM 25 CB HIS A 3 67.825 15.022 -31.583 1.00 0.00 C ATOM 26 CG HIS A 3 66.389 15.403 -31.818 1.00 0.00 C ATOM 27 ND1 HIS A 3 65.973 16.724 -31.870 1.00 0.00 N ATOM 28 CD2 HIS A 3 65.260 14.647 -32.016 1.00 0.00 C ATOM 29 CE1 HIS A 3 64.647 16.723 -32.092 1.00 0.00 C ATOM 30 NE2 HIS A 3 64.161 15.483 -32.189 1.00 0.00 N ATOM 0 H HIS A 3 70.293 15.725 -30.937 1.00 0.00 H new ATOM 0 HA HIS A 3 67.532 16.218 -29.780 1.00 0.00 H new ATOM 0 HB2 HIS A 3 68.453 15.419 -32.380 1.00 0.00 H new ATOM 0 HB3 HIS A 3 67.933 13.938 -31.603 1.00 0.00 H new ATOM 0 HD2 HIS A 3 65.230 13.568 -32.035 1.00 0.00 H new ATOM 0 HE1 HIS A 3 64.047 17.617 -32.181 1.00 0.00 H new ATOM 0 HE2 HIS A 3 63.193 15.208 -32.354 1.00 0.00 H new ATOM 38 N MET A 4 69.586 14.516 -28.475 1.00 0.00 N ATOM 39 CA MET A 4 69.886 13.432 -27.495 1.00 0.00 C ATOM 40 C MET A 4 69.984 14.012 -26.081 1.00 0.00 C ATOM 41 O MET A 4 70.826 13.620 -25.296 1.00 0.00 O ATOM 42 CB MET A 4 71.234 12.862 -27.936 1.00 0.00 C ATOM 43 CG MET A 4 71.169 11.333 -27.927 1.00 0.00 C ATOM 44 SD MET A 4 72.729 10.666 -27.300 1.00 0.00 S ATOM 45 CE MET A 4 72.336 10.786 -25.538 1.00 0.00 C ATOM 0 H MET A 4 70.249 15.291 -28.481 1.00 0.00 H new ATOM 0 HA MET A 4 69.109 12.668 -27.472 1.00 0.00 H new ATOM 0 HB2 MET A 4 71.483 13.220 -28.935 1.00 0.00 H new ATOM 0 HB3 MET A 4 72.023 13.207 -27.268 1.00 0.00 H new ATOM 0 HG2 MET A 4 70.341 10.997 -27.303 1.00 0.00 H new ATOM 0 HG3 MET A 4 70.981 10.961 -28.934 1.00 0.00 H new ATOM 0 HE1 MET A 4 72.925 10.056 -24.983 1.00 0.00 H new ATOM 0 HE2 MET A 4 72.571 11.788 -25.180 1.00 0.00 H new ATOM 0 HE3 MET A 4 71.275 10.586 -25.387 1.00 0.00 H new ATOM 55 N LEU A 5 69.132 14.943 -25.750 1.00 0.00 N ATOM 56 CA LEU A 5 69.178 15.546 -24.386 1.00 0.00 C ATOM 57 C LEU A 5 70.609 15.973 -24.046 1.00 0.00 C ATOM 58 O LEU A 5 71.365 15.230 -23.454 1.00 0.00 O ATOM 59 CB LEU A 5 68.713 14.433 -23.447 1.00 0.00 C ATOM 60 CG LEU A 5 68.187 15.048 -22.148 1.00 0.00 C ATOM 61 CD1 LEU A 5 66.672 15.235 -22.249 1.00 0.00 C ATOM 62 CD2 LEU A 5 68.508 14.117 -20.978 1.00 0.00 C ATOM 0 H LEU A 5 68.406 15.313 -26.364 1.00 0.00 H new ATOM 0 HA LEU A 5 68.553 16.436 -24.305 1.00 0.00 H new ATOM 0 HB2 LEU A 5 67.931 13.842 -23.925 1.00 0.00 H new ATOM 0 HB3 LEU A 5 69.539 13.755 -23.232 1.00 0.00 H new ATOM 0 HG LEU A 5 68.662 16.015 -21.985 1.00 0.00 H new ATOM 0 HD11 LEU A 5 66.297 15.673 -21.324 1.00 0.00 H new ATOM 0 HD12 LEU A 5 66.442 15.897 -23.084 1.00 0.00 H new ATOM 0 HD13 LEU A 5 66.196 14.268 -22.412 1.00 0.00 H new ATOM 0 HD21 LEU A 5 68.134 14.554 -20.052 1.00 0.00 H new ATOM 0 HD22 LEU A 5 68.032 13.150 -21.141 1.00 0.00 H new ATOM 0 HD23 LEU A 5 69.587 13.983 -20.906 1.00 0.00 H new ATOM 74 N GLU A 6 70.983 17.168 -24.415 1.00 0.00 N ATOM 75 CA GLU A 6 72.365 17.641 -24.112 1.00 0.00 C ATOM 76 C GLU A 6 72.338 19.114 -23.694 1.00 0.00 C ATOM 77 O GLU A 6 72.130 19.996 -24.504 1.00 0.00 O ATOM 78 CB GLU A 6 73.139 17.468 -25.419 1.00 0.00 C ATOM 79 CG GLU A 6 73.987 16.196 -25.347 1.00 0.00 C ATOM 80 CD GLU A 6 74.504 15.847 -26.744 1.00 0.00 C ATOM 81 OE1 GLU A 6 73.703 15.837 -27.664 1.00 0.00 O ATOM 82 OE2 GLU A 6 75.691 15.594 -26.868 1.00 0.00 O ATOM 0 H GLU A 6 70.394 17.836 -24.912 1.00 0.00 H new ATOM 0 HA GLU A 6 72.822 17.086 -23.293 1.00 0.00 H new ATOM 0 HB2 GLU A 6 72.447 17.409 -26.259 1.00 0.00 H new ATOM 0 HB3 GLU A 6 73.778 18.334 -25.593 1.00 0.00 H new ATOM 0 HG2 GLU A 6 74.824 16.342 -24.664 1.00 0.00 H new ATOM 0 HG3 GLU A 6 73.393 15.372 -24.951 1.00 0.00 H new ATOM 89 N ASP A 7 72.550 19.388 -22.436 1.00 0.00 N ATOM 90 CA ASP A 7 72.536 20.803 -21.968 1.00 0.00 C ATOM 91 C ASP A 7 72.667 20.857 -20.443 1.00 0.00 C ATOM 92 O ASP A 7 73.602 21.429 -19.919 1.00 0.00 O ATOM 93 CB ASP A 7 71.181 21.355 -22.411 1.00 0.00 C ATOM 94 CG ASP A 7 71.390 22.407 -23.502 1.00 0.00 C ATOM 95 OD1 ASP A 7 72.472 22.444 -24.063 1.00 0.00 O ATOM 96 OD2 ASP A 7 70.463 23.159 -23.758 1.00 0.00 O ATOM 0 H ASP A 7 72.732 18.693 -21.712 1.00 0.00 H new ATOM 0 HA ASP A 7 73.364 21.381 -22.378 1.00 0.00 H new ATOM 0 HB2 ASP A 7 70.552 20.547 -22.786 1.00 0.00 H new ATOM 0 HB3 ASP A 7 70.661 21.796 -21.561 1.00 0.00 H new ATOM 101 N PRO A 8 71.716 20.255 -19.783 1.00 0.00 N ATOM 102 CA PRO A 8 71.711 20.227 -18.305 1.00 0.00 C ATOM 103 C PRO A 8 72.812 19.305 -17.796 1.00 0.00 C ATOM 104 O PRO A 8 73.786 19.035 -18.471 1.00 0.00 O ATOM 105 CB PRO A 8 70.328 19.668 -17.963 1.00 0.00 C ATOM 106 CG PRO A 8 69.932 18.876 -19.161 1.00 0.00 C ATOM 107 CD PRO A 8 70.564 19.549 -20.345 1.00 0.00 C ATOM 0 HA PRO A 8 71.893 21.202 -17.852 1.00 0.00 H new ATOM 0 HB2 PRO A 8 70.363 19.044 -17.070 1.00 0.00 H new ATOM 0 HB3 PRO A 8 69.615 20.469 -17.765 1.00 0.00 H new ATOM 0 HG2 PRO A 8 70.273 17.844 -19.074 1.00 0.00 H new ATOM 0 HG3 PRO A 8 68.847 18.846 -19.265 1.00 0.00 H new ATOM 0 HD2 PRO A 8 70.870 18.824 -21.099 1.00 0.00 H new ATOM 0 HD3 PRO A 8 69.871 20.238 -20.828 1.00 0.00 H new ATOM 115 N VAL A 9 72.653 18.825 -16.608 1.00 0.00 N ATOM 116 CA VAL A 9 73.675 17.912 -16.018 1.00 0.00 C ATOM 117 C VAL A 9 73.094 17.183 -14.803 1.00 0.00 C ATOM 118 O VAL A 9 72.676 17.796 -13.840 1.00 0.00 O ATOM 119 CB VAL A 9 74.825 18.826 -15.596 1.00 0.00 C ATOM 120 CG1 VAL A 9 74.411 19.631 -14.362 1.00 0.00 C ATOM 121 CG2 VAL A 9 76.053 17.975 -15.260 1.00 0.00 C ATOM 0 H VAL A 9 71.853 19.023 -16.006 1.00 0.00 H new ATOM 0 HA VAL A 9 74.001 17.146 -16.722 1.00 0.00 H new ATOM 0 HB VAL A 9 75.065 19.509 -16.411 1.00 0.00 H new ATOM 0 HG11 VAL A 9 75.231 20.283 -14.061 1.00 0.00 H new ATOM 0 HG12 VAL A 9 73.535 20.235 -14.599 1.00 0.00 H new ATOM 0 HG13 VAL A 9 74.171 18.949 -13.546 1.00 0.00 H new ATOM 0 HG21 VAL A 9 76.875 18.625 -14.959 1.00 0.00 H new ATOM 0 HG22 VAL A 9 75.811 17.294 -14.444 1.00 0.00 H new ATOM 0 HG23 VAL A 9 76.348 17.400 -16.138 1.00 0.00 H new ATOM 131 N GLU A 10 73.062 15.879 -14.841 1.00 0.00 N ATOM 132 CA GLU A 10 72.508 15.112 -13.688 1.00 0.00 C ATOM 133 C GLU A 10 73.521 15.079 -12.540 1.00 0.00 C ATOM 134 O GLU A 10 74.584 15.661 -12.620 1.00 0.00 O ATOM 135 CB GLU A 10 72.265 13.703 -14.230 1.00 0.00 C ATOM 136 CG GLU A 10 71.372 13.780 -15.470 1.00 0.00 C ATOM 137 CD GLU A 10 71.162 12.374 -16.036 1.00 0.00 C ATOM 138 OE1 GLU A 10 71.829 11.465 -15.572 1.00 0.00 O ATOM 139 OE2 GLU A 10 70.338 12.232 -16.924 1.00 0.00 O ATOM 0 H GLU A 10 73.395 15.311 -15.620 1.00 0.00 H new ATOM 0 HA GLU A 10 71.596 15.560 -13.294 1.00 0.00 H new ATOM 0 HB2 GLU A 10 73.214 13.230 -14.481 1.00 0.00 H new ATOM 0 HB3 GLU A 10 71.793 13.085 -13.467 1.00 0.00 H new ATOM 0 HG2 GLU A 10 70.412 14.227 -15.212 1.00 0.00 H new ATOM 0 HG3 GLU A 10 71.831 14.422 -16.222 1.00 0.00 H new ATOM 146 N GLY A 11 73.197 14.402 -11.472 1.00 0.00 N ATOM 147 CA GLY A 11 74.142 14.332 -10.321 1.00 0.00 C ATOM 148 C GLY A 11 73.533 15.052 -9.116 1.00 0.00 C ATOM 149 O GLY A 11 74.198 15.306 -8.132 1.00 0.00 O ATOM 0 H GLY A 11 72.321 13.895 -11.347 1.00 0.00 H new ATOM 0 HA2 GLY A 11 74.349 13.292 -10.070 1.00 0.00 H new ATOM 0 HA3 GLY A 11 75.094 14.791 -10.590 1.00 0.00 H new ATOM 153 N SER A 12 72.272 15.383 -9.185 1.00 0.00 N ATOM 154 CA SER A 12 71.623 16.087 -8.042 1.00 0.00 C ATOM 155 C SER A 12 70.509 15.220 -7.450 1.00 0.00 C ATOM 156 O SER A 12 69.583 15.714 -6.839 1.00 0.00 O ATOM 157 CB SER A 12 71.044 17.367 -8.643 1.00 0.00 C ATOM 158 OG SER A 12 71.367 18.468 -7.802 1.00 0.00 O ATOM 0 H SER A 12 71.664 15.197 -9.982 1.00 0.00 H new ATOM 0 HA SER A 12 72.324 16.297 -7.234 1.00 0.00 H new ATOM 0 HB2 SER A 12 71.447 17.528 -9.643 1.00 0.00 H new ATOM 0 HB3 SER A 12 69.963 17.278 -8.746 1.00 0.00 H new ATOM 0 HG SER A 12 70.999 19.291 -8.185 1.00 0.00 H new ATOM 164 N GLU A 13 70.591 13.930 -7.627 1.00 0.00 N ATOM 165 CA GLU A 13 69.556 13.032 -7.086 1.00 0.00 C ATOM 166 C GLU A 13 70.186 12.085 -6.070 1.00 0.00 C ATOM 167 O GLU A 13 70.886 12.493 -5.164 1.00 0.00 O ATOM 168 CB GLU A 13 69.035 12.282 -8.312 1.00 0.00 C ATOM 169 CG GLU A 13 70.177 11.490 -8.952 1.00 0.00 C ATOM 170 CD GLU A 13 69.610 10.262 -9.667 1.00 0.00 C ATOM 171 OE1 GLU A 13 69.272 10.382 -10.833 1.00 0.00 O ATOM 172 OE2 GLU A 13 69.522 9.222 -9.035 1.00 0.00 O ATOM 0 H GLU A 13 71.344 13.463 -8.131 1.00 0.00 H new ATOM 0 HA GLU A 13 68.753 13.552 -6.564 1.00 0.00 H new ATOM 0 HB2 GLU A 13 68.229 11.608 -8.023 1.00 0.00 H new ATOM 0 HB3 GLU A 13 68.619 12.986 -9.032 1.00 0.00 H new ATOM 0 HG2 GLU A 13 70.717 12.119 -9.660 1.00 0.00 H new ATOM 0 HG3 GLU A 13 70.892 11.182 -8.189 1.00 0.00 H new ATOM 179 N SER A 14 69.938 10.831 -6.220 1.00 0.00 N ATOM 180 CA SER A 14 70.508 9.828 -5.276 1.00 0.00 C ATOM 181 C SER A 14 70.303 10.285 -3.830 1.00 0.00 C ATOM 182 O SER A 14 69.674 11.291 -3.569 1.00 0.00 O ATOM 183 CB SER A 14 71.997 9.768 -5.616 1.00 0.00 C ATOM 184 OG SER A 14 72.755 9.789 -4.414 1.00 0.00 O ATOM 0 H SER A 14 69.358 10.441 -6.963 1.00 0.00 H new ATOM 0 HA SER A 14 70.029 8.853 -5.369 1.00 0.00 H new ATOM 0 HB2 SER A 14 72.216 8.863 -6.182 1.00 0.00 H new ATOM 0 HB3 SER A 14 72.272 10.613 -6.247 1.00 0.00 H new ATOM 0 HG SER A 14 73.502 10.416 -4.509 1.00 0.00 H new ATOM 190 N THR A 15 70.831 9.553 -2.888 1.00 0.00 N ATOM 191 CA THR A 15 70.668 9.944 -1.458 1.00 0.00 C ATOM 192 C THR A 15 71.975 10.534 -0.919 1.00 0.00 C ATOM 193 O THR A 15 72.055 10.953 0.218 1.00 0.00 O ATOM 194 CB THR A 15 70.325 8.642 -0.730 1.00 0.00 C ATOM 195 OG1 THR A 15 68.965 8.309 -0.976 1.00 0.00 O ATOM 196 CG2 THR A 15 70.546 8.815 0.774 1.00 0.00 C ATOM 0 H THR A 15 71.369 8.701 -3.046 1.00 0.00 H new ATOM 0 HA THR A 15 69.898 10.703 -1.321 1.00 0.00 H new ATOM 0 HB THR A 15 70.969 7.843 -1.096 1.00 0.00 H new ATOM 0 HG1 THR A 15 68.743 7.475 -0.512 1.00 0.00 H new ATOM 0 HG21 THR A 15 70.300 7.885 1.287 1.00 0.00 H new ATOM 0 HG22 THR A 15 71.589 9.068 0.962 1.00 0.00 H new ATOM 0 HG23 THR A 15 69.906 9.615 1.146 1.00 0.00 H new ATOM 204 N THR A 16 72.999 10.567 -1.726 1.00 0.00 N ATOM 205 CA THR A 16 74.299 11.127 -1.257 1.00 0.00 C ATOM 206 C THR A 16 75.200 11.451 -2.450 1.00 0.00 C ATOM 207 O THR A 16 74.912 11.071 -3.567 1.00 0.00 O ATOM 208 CB THR A 16 74.921 10.018 -0.410 1.00 0.00 C ATOM 209 OG1 THR A 16 74.641 8.763 -1.010 1.00 0.00 O ATOM 210 CG2 THR A 16 74.333 10.054 1.000 1.00 0.00 C ATOM 0 H THR A 16 72.993 10.231 -2.689 1.00 0.00 H new ATOM 0 HA THR A 16 74.170 12.052 -0.695 1.00 0.00 H new ATOM 0 HB THR A 16 75.999 10.165 -0.351 1.00 0.00 H new ATOM 0 HG1 THR A 16 73.775 8.434 -0.691 1.00 0.00 H new ATOM 0 HG21 THR A 16 74.779 9.261 1.601 1.00 0.00 H new ATOM 0 HG22 THR A 16 74.545 11.020 1.458 1.00 0.00 H new ATOM 0 HG23 THR A 16 73.254 9.906 0.948 1.00 0.00 H new ATOM 218 N PRO A 17 76.265 12.149 -2.167 1.00 0.00 N ATOM 219 CA PRO A 17 77.223 12.538 -3.227 1.00 0.00 C ATOM 220 C PRO A 17 78.101 11.348 -3.628 1.00 0.00 C ATOM 221 O PRO A 17 78.612 11.290 -4.730 1.00 0.00 O ATOM 222 CB PRO A 17 78.064 13.626 -2.567 1.00 0.00 C ATOM 223 CG PRO A 17 77.973 13.356 -1.097 1.00 0.00 C ATOM 224 CD PRO A 17 76.668 12.645 -0.847 1.00 0.00 C ATOM 0 HA PRO A 17 76.731 12.874 -4.140 1.00 0.00 H new ATOM 0 HB2 PRO A 17 79.098 13.588 -2.911 1.00 0.00 H new ATOM 0 HB3 PRO A 17 77.684 14.619 -2.809 1.00 0.00 H new ATOM 0 HG2 PRO A 17 78.812 12.744 -0.767 1.00 0.00 H new ATOM 0 HG3 PRO A 17 78.016 14.288 -0.533 1.00 0.00 H new ATOM 0 HD2 PRO A 17 76.790 11.828 -0.136 1.00 0.00 H new ATOM 0 HD3 PRO A 17 75.921 13.321 -0.431 1.00 0.00 H new ATOM 232 N PHE A 18 78.295 10.402 -2.746 1.00 0.00 N ATOM 233 CA PHE A 18 79.157 9.235 -3.095 1.00 0.00 C ATOM 234 C PHE A 18 78.381 7.919 -2.973 1.00 0.00 C ATOM 235 O PHE A 18 78.006 7.500 -1.896 1.00 0.00 O ATOM 236 CB PHE A 18 80.302 9.283 -2.085 1.00 0.00 C ATOM 237 CG PHE A 18 81.149 10.503 -2.351 1.00 0.00 C ATOM 238 CD1 PHE A 18 82.059 10.505 -3.415 1.00 0.00 C ATOM 239 CD2 PHE A 18 81.020 11.636 -1.539 1.00 0.00 C ATOM 240 CE1 PHE A 18 82.841 11.639 -3.664 1.00 0.00 C ATOM 241 CE2 PHE A 18 81.801 12.770 -1.788 1.00 0.00 C ATOM 242 CZ PHE A 18 82.712 12.772 -2.852 1.00 0.00 C ATOM 0 H PHE A 18 77.897 10.387 -1.807 1.00 0.00 H new ATOM 0 HA PHE A 18 79.510 9.283 -4.125 1.00 0.00 H new ATOM 0 HB2 PHE A 18 79.906 9.315 -1.070 1.00 0.00 H new ATOM 0 HB3 PHE A 18 80.909 8.381 -2.162 1.00 0.00 H new ATOM 0 HD1 PHE A 18 82.158 9.632 -4.043 1.00 0.00 H new ATOM 0 HD2 PHE A 18 80.317 11.635 -0.719 1.00 0.00 H new ATOM 0 HE1 PHE A 18 83.545 11.640 -4.483 1.00 0.00 H new ATOM 0 HE2 PHE A 18 81.701 13.643 -1.160 1.00 0.00 H new ATOM 0 HZ PHE A 18 83.315 13.647 -3.046 1.00 0.00 H new ATOM 252 N ASN A 19 78.151 7.261 -4.079 1.00 0.00 N ATOM 253 CA ASN A 19 77.415 5.966 -4.056 1.00 0.00 C ATOM 254 C ASN A 19 78.075 4.998 -5.039 1.00 0.00 C ATOM 255 O ASN A 19 78.648 5.404 -6.030 1.00 0.00 O ATOM 256 CB ASN A 19 75.996 6.300 -4.516 1.00 0.00 C ATOM 257 CG ASN A 19 75.524 7.600 -3.858 1.00 0.00 C ATOM 258 OD1 ASN A 19 76.143 8.633 -4.012 1.00 0.00 O ATOM 259 ND2 ASN A 19 74.442 7.591 -3.129 1.00 0.00 N ATOM 0 H ASN A 19 78.445 7.570 -5.005 1.00 0.00 H new ATOM 0 HA ASN A 19 77.418 5.499 -3.071 1.00 0.00 H new ATOM 0 HB2 ASN A 19 75.971 6.402 -5.601 1.00 0.00 H new ATOM 0 HB3 ASN A 19 75.320 5.485 -4.257 1.00 0.00 H new ATOM 0 HD21 ASN A 19 74.116 8.452 -2.689 1.00 0.00 H new ATOM 0 HD22 ASN A 19 73.922 6.723 -2.999 1.00 0.00 H new ATOM 266 N LEU A 20 78.004 3.727 -4.776 1.00 0.00 N ATOM 267 CA LEU A 20 78.633 2.745 -5.702 1.00 0.00 C ATOM 268 C LEU A 20 78.070 1.350 -5.465 1.00 0.00 C ATOM 269 O LEU A 20 77.244 1.134 -4.601 1.00 0.00 O ATOM 270 CB LEU A 20 80.128 2.784 -5.378 1.00 0.00 C ATOM 271 CG LEU A 20 80.336 2.843 -3.862 1.00 0.00 C ATOM 272 CD1 LEU A 20 79.687 1.626 -3.202 1.00 0.00 C ATOM 273 CD2 LEU A 20 81.835 2.843 -3.561 1.00 0.00 C ATOM 0 H LEU A 20 77.539 3.324 -3.962 1.00 0.00 H new ATOM 0 HA LEU A 20 78.438 2.989 -6.746 1.00 0.00 H new ATOM 0 HB2 LEU A 20 80.620 1.901 -5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 20 80.588 3.652 -5.850 1.00 0.00 H new ATOM 0 HG LEU A 20 79.879 3.751 -3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 20 79.838 1.673 -2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 20 78.619 1.621 -3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 20 80.141 0.715 -3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 20 81.990 2.885 -2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 20 82.286 1.933 -3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 20 82.300 3.711 -4.028 1.00 0.00 H new ATOM 285 N PHE A 21 78.518 0.402 -6.231 1.00 0.00 N ATOM 286 CA PHE A 21 78.020 -0.987 -6.067 1.00 0.00 C ATOM 287 C PHE A 21 79.015 -1.787 -5.220 1.00 0.00 C ATOM 288 O PHE A 21 80.151 -1.393 -5.050 1.00 0.00 O ATOM 289 CB PHE A 21 77.950 -1.530 -7.495 1.00 0.00 C ATOM 290 CG PHE A 21 76.785 -2.489 -7.663 1.00 0.00 C ATOM 291 CD1 PHE A 21 75.988 -2.865 -6.568 1.00 0.00 C ATOM 292 CD2 PHE A 21 76.500 -3.001 -8.936 1.00 0.00 C ATOM 293 CE1 PHE A 21 74.918 -3.749 -6.753 1.00 0.00 C ATOM 294 CE2 PHE A 21 75.430 -3.883 -9.117 1.00 0.00 C ATOM 295 CZ PHE A 21 74.639 -4.257 -8.026 1.00 0.00 C ATOM 0 H PHE A 21 79.212 0.529 -6.968 1.00 0.00 H new ATOM 0 HA PHE A 21 77.056 -1.047 -5.562 1.00 0.00 H new ATOM 0 HB2 PHE A 21 77.847 -0.702 -8.197 1.00 0.00 H new ATOM 0 HB3 PHE A 21 78.882 -2.040 -7.739 1.00 0.00 H new ATOM 0 HD1 PHE A 21 76.201 -2.472 -5.585 1.00 0.00 H new ATOM 0 HD2 PHE A 21 77.109 -2.713 -9.780 1.00 0.00 H new ATOM 0 HE1 PHE A 21 74.307 -4.039 -5.911 1.00 0.00 H new ATOM 0 HE2 PHE A 21 75.214 -4.276 -10.100 1.00 0.00 H new ATOM 0 HZ PHE A 21 73.813 -4.938 -8.166 1.00 0.00 H new ATOM 305 N ILE A 22 78.606 -2.903 -4.685 1.00 0.00 N ATOM 306 CA ILE A 22 79.537 -3.713 -3.853 1.00 0.00 C ATOM 307 C ILE A 22 79.111 -5.177 -3.889 1.00 0.00 C ATOM 308 O ILE A 22 77.954 -5.488 -4.072 1.00 0.00 O ATOM 309 CB ILE A 22 79.405 -3.134 -2.440 1.00 0.00 C ATOM 310 CG1 ILE A 22 80.284 -1.886 -2.320 1.00 0.00 C ATOM 311 CG2 ILE A 22 79.854 -4.169 -1.406 1.00 0.00 C ATOM 312 CD1 ILE A 22 80.284 -1.399 -0.870 1.00 0.00 C ATOM 0 H ILE A 22 77.667 -3.289 -4.788 1.00 0.00 H new ATOM 0 HA ILE A 22 80.568 -3.674 -4.206 1.00 0.00 H new ATOM 0 HB ILE A 22 78.363 -2.873 -2.257 1.00 0.00 H new ATOM 0 HG12 ILE A 22 81.301 -2.113 -2.638 1.00 0.00 H new ATOM 0 HG13 ILE A 22 79.911 -1.101 -2.978 1.00 0.00 H new ATOM 0 HG21 ILE A 22 79.757 -3.749 -0.405 1.00 0.00 H new ATOM 0 HG22 ILE A 22 79.231 -5.059 -1.488 1.00 0.00 H new ATOM 0 HG23 ILE A 22 80.895 -4.437 -1.588 1.00 0.00 H new ATOM 0 HD11 ILE A 22 80.910 -0.511 -0.785 1.00 0.00 H new ATOM 0 HD12 ILE A 22 79.265 -1.156 -0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 22 80.677 -2.183 -0.223 1.00 0.00 H new ATOM 324 N GLY A 23 80.030 -6.083 -3.722 1.00 0.00 N ATOM 325 CA GLY A 23 79.648 -7.520 -3.754 1.00 0.00 C ATOM 326 C GLY A 23 80.477 -8.307 -2.739 1.00 0.00 C ATOM 327 O GLY A 23 81.116 -7.744 -1.873 1.00 0.00 O ATOM 0 H GLY A 23 81.020 -5.894 -3.566 1.00 0.00 H new ATOM 0 HA2 GLY A 23 78.587 -7.627 -3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 23 79.805 -7.924 -4.754 1.00 0.00 H new ATOM 331 N ASN A 24 80.458 -9.610 -2.837 1.00 0.00 N ATOM 332 CA ASN A 24 81.233 -10.454 -1.876 1.00 0.00 C ATOM 333 C ASN A 24 80.552 -10.442 -0.507 1.00 0.00 C ATOM 334 O ASN A 24 81.189 -10.275 0.515 1.00 0.00 O ATOM 335 CB ASN A 24 82.623 -9.818 -1.798 1.00 0.00 C ATOM 336 CG ASN A 24 83.650 -10.884 -1.414 1.00 0.00 C ATOM 337 OD1 ASN A 24 84.182 -10.862 -0.221 1.00 0.00 O flip ATOM 338 ND2 ASN A 24 83.975 -11.746 -2.206 1.00 0.00 N flip ATOM 0 H ASN A 24 79.937 -10.130 -3.544 1.00 0.00 H new ATOM 0 HA ASN A 24 81.291 -11.494 -2.196 1.00 0.00 H new ATOM 0 HB2 ASN A 24 82.886 -9.374 -2.758 1.00 0.00 H new ATOM 0 HB3 ASN A 24 82.626 -9.013 -1.063 1.00 0.00 H new ATOM 0 HD21 ASN A 24 83.561 -11.765 -3.138 1.00 0.00 H new ATOM 0 HD22 ASN A 24 84.662 -12.451 -1.939 1.00 0.00 H new ATOM 345 N LEU A 25 79.260 -10.619 -0.481 1.00 0.00 N ATOM 346 CA LEU A 25 78.529 -10.620 0.820 1.00 0.00 C ATOM 347 C LEU A 25 78.239 -12.054 1.257 1.00 0.00 C ATOM 348 O LEU A 25 77.706 -12.850 0.510 1.00 0.00 O ATOM 349 CB LEU A 25 77.224 -9.873 0.544 1.00 0.00 C ATOM 350 CG LEU A 25 77.477 -8.363 0.556 1.00 0.00 C ATOM 351 CD1 LEU A 25 77.811 -7.913 1.977 1.00 0.00 C ATOM 352 CD2 LEU A 25 78.650 -8.033 -0.371 1.00 0.00 C ATOM 0 H LEU A 25 78.677 -10.763 -1.305 1.00 0.00 H new ATOM 0 HA LEU A 25 79.106 -10.152 1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 25 76.819 -10.175 -0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 25 76.480 -10.132 1.297 1.00 0.00 H new ATOM 0 HG LEU A 25 76.583 -7.844 0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 25 77.991 -6.838 1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 25 76.976 -8.146 2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 25 78.704 -8.433 2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.830 -6.958 -0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 25 79.544 -8.553 -0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 25 78.413 -8.353 -1.386 1.00 0.00 H new ATOM 364 N ASN A 26 78.587 -12.386 2.466 1.00 0.00 N ATOM 365 CA ASN A 26 78.336 -13.766 2.966 1.00 0.00 C ATOM 366 C ASN A 26 76.922 -14.217 2.590 1.00 0.00 C ATOM 367 O ASN A 26 75.955 -13.806 3.199 1.00 0.00 O ATOM 368 CB ASN A 26 78.481 -13.654 4.481 1.00 0.00 C ATOM 369 CG ASN A 26 78.361 -15.044 5.111 1.00 0.00 C ATOM 370 OD1 ASN A 26 78.220 -16.029 4.415 1.00 0.00 O ATOM 371 ND2 ASN A 26 78.412 -15.165 6.410 1.00 0.00 N ATOM 0 H ASN A 26 79.037 -11.759 3.133 1.00 0.00 H new ATOM 0 HA ASN A 26 79.021 -14.498 2.539 1.00 0.00 H new ATOM 0 HB2 ASN A 26 79.445 -13.211 4.733 1.00 0.00 H new ATOM 0 HB3 ASN A 26 77.712 -12.994 4.882 1.00 0.00 H new ATOM 0 HD21 ASN A 26 78.333 -16.087 6.840 1.00 0.00 H new ATOM 0 HD22 ASN A 26 78.530 -14.338 6.995 1.00 0.00 H new ATOM 378 N PRO A 27 76.853 -15.053 1.590 1.00 0.00 N ATOM 379 CA PRO A 27 75.547 -15.573 1.118 1.00 0.00 C ATOM 380 C PRO A 27 74.992 -16.601 2.110 1.00 0.00 C ATOM 381 O PRO A 27 73.808 -16.872 2.138 1.00 0.00 O ATOM 382 CB PRO A 27 75.885 -16.233 -0.216 1.00 0.00 C ATOM 383 CG PRO A 27 77.335 -16.586 -0.118 1.00 0.00 C ATOM 384 CD PRO A 27 77.976 -15.588 0.812 1.00 0.00 C ATOM 0 HA PRO A 27 74.786 -14.799 1.024 1.00 0.00 H new ATOM 0 HB2 PRO A 27 75.274 -17.120 -0.384 1.00 0.00 H new ATOM 0 HB3 PRO A 27 75.699 -15.556 -1.050 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.459 -17.600 0.262 1.00 0.00 H new ATOM 0 HG3 PRO A 27 77.806 -16.554 -1.101 1.00 0.00 H new ATOM 0 HD2 PRO A 27 78.717 -16.062 1.456 1.00 0.00 H new ATOM 0 HD3 PRO A 27 78.490 -14.801 0.260 1.00 0.00 H new ATOM 392 N ASN A 28 75.838 -17.172 2.923 1.00 0.00 N ATOM 393 CA ASN A 28 75.356 -18.179 3.913 1.00 0.00 C ATOM 394 C ASN A 28 74.659 -17.474 5.078 1.00 0.00 C ATOM 395 O ASN A 28 73.960 -18.086 5.862 1.00 0.00 O ATOM 396 CB ASN A 28 76.616 -18.899 4.394 1.00 0.00 C ATOM 397 CG ASN A 28 76.865 -20.130 3.521 1.00 0.00 C ATOM 398 OD1 ASN A 28 76.591 -20.078 2.247 1.00 0.00 O flip ATOM 399 ND2 ASN A 28 77.315 -21.151 4.005 1.00 0.00 N flip ATOM 0 H ASN A 28 76.841 -16.986 2.945 1.00 0.00 H new ATOM 0 HA ASN A 28 74.634 -18.873 3.482 1.00 0.00 H new ATOM 0 HB2 ASN A 28 77.473 -18.227 4.346 1.00 0.00 H new ATOM 0 HB3 ASN A 28 76.502 -19.196 5.436 1.00 0.00 H new ATOM 0 HD21 ASN A 28 77.529 -21.192 5.001 1.00 0.00 H new ATOM 0 HD22 ASN A 28 77.478 -21.967 3.415 1.00 0.00 H new ATOM 406 N LYS A 29 74.844 -16.189 5.193 1.00 0.00 N ATOM 407 CA LYS A 29 74.196 -15.434 6.300 1.00 0.00 C ATOM 408 C LYS A 29 73.114 -14.513 5.736 1.00 0.00 C ATOM 409 O LYS A 29 72.579 -14.749 4.671 1.00 0.00 O ATOM 410 CB LYS A 29 75.322 -14.616 6.933 1.00 0.00 C ATOM 411 CG LYS A 29 75.491 -15.029 8.396 1.00 0.00 C ATOM 412 CD LYS A 29 74.451 -14.307 9.255 1.00 0.00 C ATOM 413 CE LYS A 29 74.443 -14.910 10.662 1.00 0.00 C ATOM 414 NZ LYS A 29 73.830 -13.862 11.525 1.00 0.00 N ATOM 0 H LYS A 29 75.419 -15.627 4.565 1.00 0.00 H new ATOM 0 HA LYS A 29 73.714 -16.089 7.026 1.00 0.00 H new ATOM 0 HB2 LYS A 29 76.253 -14.776 6.389 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.094 -13.552 6.868 1.00 0.00 H new ATOM 0 HG2 LYS A 29 75.374 -16.108 8.496 1.00 0.00 H new ATOM 0 HG3 LYS A 29 76.496 -14.784 8.740 1.00 0.00 H new ATOM 0 HD2 LYS A 29 74.681 -13.243 9.305 1.00 0.00 H new ATOM 0 HD3 LYS A 29 73.463 -14.399 8.803 1.00 0.00 H new ATOM 0 HE2 LYS A 29 73.866 -15.834 10.692 1.00 0.00 H new ATOM 0 HE3 LYS A 29 75.453 -15.154 10.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 73.789 -14.201 12.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 74.405 -12.996 11.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 72.867 -13.656 11.190 1.00 0.00 H new ATOM 428 N SER A 30 72.790 -13.466 6.437 1.00 0.00 N ATOM 429 CA SER A 30 71.743 -12.531 5.934 1.00 0.00 C ATOM 430 C SER A 30 72.384 -11.236 5.443 1.00 0.00 C ATOM 431 O SER A 30 73.406 -10.804 5.944 1.00 0.00 O ATOM 432 CB SER A 30 70.848 -12.246 7.134 1.00 0.00 C ATOM 433 OG SER A 30 70.610 -13.454 7.844 1.00 0.00 O ATOM 0 H SER A 30 73.203 -13.215 7.335 1.00 0.00 H new ATOM 0 HA SER A 30 71.187 -12.956 5.099 1.00 0.00 H new ATOM 0 HB2 SER A 30 71.321 -11.514 7.789 1.00 0.00 H new ATOM 0 HB3 SER A 30 69.904 -11.814 6.803 1.00 0.00 H new ATOM 0 HG SER A 30 70.036 -13.271 8.617 1.00 0.00 H new ATOM 439 N VAL A 31 71.789 -10.603 4.475 1.00 0.00 N ATOM 440 CA VAL A 31 72.370 -9.332 3.970 1.00 0.00 C ATOM 441 C VAL A 31 72.250 -8.253 5.046 1.00 0.00 C ATOM 442 O VAL A 31 73.162 -7.482 5.268 1.00 0.00 O ATOM 443 CB VAL A 31 71.551 -8.966 2.733 1.00 0.00 C ATOM 444 CG1 VAL A 31 72.323 -7.944 1.898 1.00 0.00 C ATOM 445 CG2 VAL A 31 71.301 -10.221 1.891 1.00 0.00 C ATOM 0 H VAL A 31 70.932 -10.908 4.014 1.00 0.00 H new ATOM 0 HA VAL A 31 73.428 -9.427 3.724 1.00 0.00 H new ATOM 0 HB VAL A 31 70.597 -8.541 3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 31 71.741 -7.681 1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 31 72.503 -7.049 2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 31 73.277 -8.372 1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 31 70.717 -9.957 1.009 1.00 0.00 H new ATOM 0 HG22 VAL A 31 72.255 -10.647 1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 31 70.753 -10.954 2.484 1.00 0.00 H new ATOM 455 N ALA A 32 71.138 -8.202 5.728 1.00 0.00 N ATOM 456 CA ALA A 32 70.977 -7.182 6.801 1.00 0.00 C ATOM 457 C ALA A 32 72.161 -7.272 7.762 1.00 0.00 C ATOM 458 O ALA A 32 72.720 -6.275 8.176 1.00 0.00 O ATOM 459 CB ALA A 32 69.674 -7.550 7.511 1.00 0.00 C ATOM 0 H ALA A 32 70.338 -8.820 5.589 1.00 0.00 H new ATOM 0 HA ALA A 32 70.945 -6.163 6.415 1.00 0.00 H new ATOM 0 HB1 ALA A 32 69.486 -6.841 8.318 1.00 0.00 H new ATOM 0 HB2 ALA A 32 68.849 -7.516 6.799 1.00 0.00 H new ATOM 0 HB3 ALA A 32 69.756 -8.556 7.923 1.00 0.00 H new ATOM 465 N GLU A 33 72.557 -8.467 8.103 1.00 0.00 N ATOM 466 CA GLU A 33 73.719 -8.637 9.020 1.00 0.00 C ATOM 467 C GLU A 33 74.987 -8.145 8.325 1.00 0.00 C ATOM 468 O GLU A 33 75.865 -7.574 8.941 1.00 0.00 O ATOM 469 CB GLU A 33 73.795 -10.141 9.289 1.00 0.00 C ATOM 470 CG GLU A 33 72.477 -10.619 9.900 1.00 0.00 C ATOM 471 CD GLU A 33 72.355 -10.090 11.331 1.00 0.00 C ATOM 472 OE1 GLU A 33 73.028 -10.623 12.198 1.00 0.00 O ATOM 473 OE2 GLU A 33 71.589 -9.161 11.535 1.00 0.00 O ATOM 0 H GLU A 33 72.125 -9.335 7.786 1.00 0.00 H new ATOM 0 HA GLU A 33 73.616 -8.071 9.946 1.00 0.00 H new ATOM 0 HB2 GLU A 33 73.993 -10.677 8.361 1.00 0.00 H new ATOM 0 HB3 GLU A 33 74.621 -10.359 9.966 1.00 0.00 H new ATOM 0 HG2 GLU A 33 71.638 -10.269 9.299 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.438 -11.708 9.899 1.00 0.00 H new ATOM 480 N LEU A 34 75.081 -8.348 7.038 1.00 0.00 N ATOM 481 CA LEU A 34 76.276 -7.879 6.297 1.00 0.00 C ATOM 482 C LEU A 34 76.311 -6.352 6.321 1.00 0.00 C ATOM 483 O LEU A 34 77.356 -5.740 6.416 1.00 0.00 O ATOM 484 CB LEU A 34 76.071 -8.395 4.876 1.00 0.00 C ATOM 485 CG LEU A 34 76.333 -9.901 4.835 1.00 0.00 C ATOM 486 CD1 LEU A 34 75.804 -10.476 3.519 1.00 0.00 C ATOM 487 CD2 LEU A 34 77.838 -10.161 4.935 1.00 0.00 C ATOM 0 H LEU A 34 74.377 -8.820 6.471 1.00 0.00 H new ATOM 0 HA LEU A 34 77.215 -8.232 6.723 1.00 0.00 H new ATOM 0 HB2 LEU A 34 75.054 -8.183 4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 34 76.744 -7.880 4.190 1.00 0.00 H new ATOM 0 HG LEU A 34 75.825 -10.380 5.672 1.00 0.00 H new ATOM 0 HD11 LEU A 34 75.991 -11.549 3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 34 74.732 -10.292 3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 34 76.312 -9.996 2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 34 78.025 -11.235 4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 34 78.346 -9.681 4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 34 78.216 -9.752 5.872 1.00 0.00 H new ATOM 499 N LYS A 35 75.164 -5.737 6.249 1.00 0.00 N ATOM 500 CA LYS A 35 75.111 -4.251 6.282 1.00 0.00 C ATOM 501 C LYS A 35 75.697 -3.752 7.604 1.00 0.00 C ATOM 502 O LYS A 35 76.520 -2.860 7.637 1.00 0.00 O ATOM 503 CB LYS A 35 73.624 -3.902 6.189 1.00 0.00 C ATOM 504 CG LYS A 35 73.249 -3.636 4.730 1.00 0.00 C ATOM 505 CD LYS A 35 73.773 -4.771 3.850 1.00 0.00 C ATOM 506 CE LYS A 35 73.399 -4.501 2.390 1.00 0.00 C ATOM 507 NZ LYS A 35 74.634 -4.802 1.613 1.00 0.00 N ATOM 0 H LYS A 35 74.259 -6.201 6.169 1.00 0.00 H new ATOM 0 HA LYS A 35 75.682 -3.792 5.475 1.00 0.00 H new ATOM 0 HB2 LYS A 35 73.023 -4.720 6.586 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.408 -3.023 6.797 1.00 0.00 H new ATOM 0 HG2 LYS A 35 72.166 -3.556 4.631 1.00 0.00 H new ATOM 0 HG3 LYS A 35 73.670 -2.685 4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 35 74.855 -4.853 3.950 1.00 0.00 H new ATOM 0 HD3 LYS A 35 73.350 -5.722 4.175 1.00 0.00 H new ATOM 0 HE2 LYS A 35 72.569 -5.132 2.072 1.00 0.00 H new ATOM 0 HE3 LYS A 35 73.086 -3.467 2.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 74.519 -4.466 0.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 75.446 -4.321 2.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 74.800 -5.829 1.609 1.00 0.00 H new ATOM 521 N VAL A 36 75.280 -4.338 8.692 1.00 0.00 N ATOM 522 CA VAL A 36 75.808 -3.926 10.023 1.00 0.00 C ATOM 523 C VAL A 36 77.319 -4.100 10.062 1.00 0.00 C ATOM 524 O VAL A 36 78.023 -3.267 10.577 1.00 0.00 O ATOM 525 CB VAL A 36 75.144 -4.872 11.011 1.00 0.00 C ATOM 526 CG1 VAL A 36 75.565 -4.507 12.435 1.00 0.00 C ATOM 527 CG2 VAL A 36 73.623 -4.762 10.883 1.00 0.00 C ATOM 0 H VAL A 36 74.591 -5.090 8.716 1.00 0.00 H new ATOM 0 HA VAL A 36 75.599 -2.880 10.248 1.00 0.00 H new ATOM 0 HB VAL A 36 75.453 -5.895 10.794 1.00 0.00 H new ATOM 0 HG11 VAL A 36 75.088 -5.187 13.141 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.648 -4.590 12.527 1.00 0.00 H new ATOM 0 HG13 VAL A 36 75.260 -3.484 12.654 1.00 0.00 H new ATOM 0 HG21 VAL A 36 73.148 -5.441 11.592 1.00 0.00 H new ATOM 0 HG22 VAL A 36 73.313 -3.739 11.097 1.00 0.00 H new ATOM 0 HG23 VAL A 36 73.323 -5.028 9.869 1.00 0.00 H new ATOM 537 N ALA A 37 77.830 -5.170 9.524 1.00 0.00 N ATOM 538 CA ALA A 37 79.305 -5.359 9.546 1.00 0.00 C ATOM 539 C ALA A 37 79.966 -4.223 8.776 1.00 0.00 C ATOM 540 O ALA A 37 81.065 -3.805 9.084 1.00 0.00 O ATOM 541 CB ALA A 37 79.554 -6.703 8.862 1.00 0.00 C ATOM 0 H ALA A 37 77.297 -5.915 9.075 1.00 0.00 H new ATOM 0 HA ALA A 37 79.717 -5.352 10.555 1.00 0.00 H new ATOM 0 HB1 ALA A 37 80.624 -6.908 8.842 1.00 0.00 H new ATOM 0 HB2 ALA A 37 79.043 -7.492 9.414 1.00 0.00 H new ATOM 0 HB3 ALA A 37 79.172 -6.668 7.842 1.00 0.00 H new ATOM 547 N ILE A 38 79.293 -3.704 7.792 1.00 0.00 N ATOM 548 CA ILE A 38 79.871 -2.578 7.017 1.00 0.00 C ATOM 549 C ILE A 38 79.534 -1.262 7.719 1.00 0.00 C ATOM 550 O ILE A 38 80.267 -0.294 7.638 1.00 0.00 O ATOM 551 CB ILE A 38 79.204 -2.648 5.643 1.00 0.00 C ATOM 552 CG1 ILE A 38 79.529 -3.993 4.989 1.00 0.00 C ATOM 553 CG2 ILE A 38 79.728 -1.513 4.762 1.00 0.00 C ATOM 554 CD1 ILE A 38 81.031 -4.265 5.098 1.00 0.00 C ATOM 0 H ILE A 38 78.368 -4.011 7.491 1.00 0.00 H new ATOM 0 HA ILE A 38 80.956 -2.636 6.931 1.00 0.00 H new ATOM 0 HB ILE A 38 78.125 -2.549 5.757 1.00 0.00 H new ATOM 0 HG12 ILE A 38 78.968 -4.791 5.476 1.00 0.00 H new ATOM 0 HG13 ILE A 38 79.226 -3.983 3.942 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.252 -1.563 3.783 1.00 0.00 H new ATOM 0 HG22 ILE A 38 79.498 -0.555 5.228 1.00 0.00 H new ATOM 0 HG23 ILE A 38 80.807 -1.611 4.646 1.00 0.00 H new ATOM 0 HD11 ILE A 38 81.262 -5.223 4.632 1.00 0.00 H new ATOM 0 HD12 ILE A 38 81.582 -3.473 4.591 1.00 0.00 H new ATOM 0 HD13 ILE A 38 81.320 -4.293 6.149 1.00 0.00 H new ATOM 566 N SER A 39 78.434 -1.225 8.427 1.00 0.00 N ATOM 567 CA SER A 39 78.063 0.024 9.147 1.00 0.00 C ATOM 568 C SER A 39 78.883 0.130 10.431 1.00 0.00 C ATOM 569 O SER A 39 79.147 1.205 10.935 1.00 0.00 O ATOM 570 CB SER A 39 76.576 -0.125 9.467 1.00 0.00 C ATOM 571 OG SER A 39 76.188 0.892 10.382 1.00 0.00 O ATOM 0 H SER A 39 77.782 -2.002 8.536 1.00 0.00 H new ATOM 0 HA SER A 39 78.256 0.922 8.560 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.986 -0.052 8.553 1.00 0.00 H new ATOM 0 HB3 SER A 39 76.381 -1.109 9.894 1.00 0.00 H new ATOM 0 HG SER A 39 75.234 0.800 10.588 1.00 0.00 H new ATOM 577 N GLU A 40 79.303 -0.987 10.952 1.00 0.00 N ATOM 578 CA GLU A 40 80.117 -0.973 12.191 1.00 0.00 C ATOM 579 C GLU A 40 81.575 -0.738 11.827 1.00 0.00 C ATOM 580 O GLU A 40 82.291 -0.017 12.494 1.00 0.00 O ATOM 581 CB GLU A 40 79.922 -2.358 12.790 1.00 0.00 C ATOM 582 CG GLU A 40 79.271 -2.243 14.169 1.00 0.00 C ATOM 583 CD GLU A 40 78.081 -1.283 14.097 1.00 0.00 C ATOM 584 OE1 GLU A 40 77.542 -1.118 13.015 1.00 0.00 O ATOM 585 OE2 GLU A 40 77.730 -0.728 15.126 1.00 0.00 O ATOM 0 H GLU A 40 79.115 -1.913 10.569 1.00 0.00 H new ATOM 0 HA GLU A 40 79.828 -0.188 12.890 1.00 0.00 H new ATOM 0 HB2 GLU A 40 79.297 -2.963 12.133 1.00 0.00 H new ATOM 0 HB3 GLU A 40 80.883 -2.866 12.873 1.00 0.00 H new ATOM 0 HG2 GLU A 40 78.939 -3.224 14.509 1.00 0.00 H new ATOM 0 HG3 GLU A 40 79.998 -1.883 14.897 1.00 0.00 H new ATOM 592 N LEU A 41 82.013 -1.328 10.754 1.00 0.00 N ATOM 593 CA LEU A 41 83.419 -1.127 10.321 1.00 0.00 C ATOM 594 C LEU A 41 83.617 0.340 9.964 1.00 0.00 C ATOM 595 O LEU A 41 84.650 0.921 10.229 1.00 0.00 O ATOM 596 CB LEU A 41 83.600 -2.018 9.093 1.00 0.00 C ATOM 597 CG LEU A 41 85.051 -2.497 9.018 1.00 0.00 C ATOM 598 CD1 LEU A 41 85.223 -3.741 9.889 1.00 0.00 C ATOM 599 CD2 LEU A 41 85.400 -2.838 7.568 1.00 0.00 C ATOM 0 H LEU A 41 81.457 -1.941 10.158 1.00 0.00 H new ATOM 0 HA LEU A 41 84.143 -1.381 11.095 1.00 0.00 H new ATOM 0 HB2 LEU A 41 82.926 -2.873 9.149 1.00 0.00 H new ATOM 0 HB3 LEU A 41 83.341 -1.466 8.189 1.00 0.00 H new ATOM 0 HG LEU A 41 85.713 -1.709 9.376 1.00 0.00 H new ATOM 0 HD11 LEU A 41 86.257 -4.082 9.836 1.00 0.00 H new ATOM 0 HD12 LEU A 41 84.974 -3.499 10.922 1.00 0.00 H new ATOM 0 HD13 LEU A 41 84.561 -4.530 9.531 1.00 0.00 H new ATOM 0 HD21 LEU A 41 86.434 -3.179 7.513 1.00 0.00 H new ATOM 0 HD22 LEU A 41 84.738 -3.627 7.210 1.00 0.00 H new ATOM 0 HD23 LEU A 41 85.277 -1.951 6.946 1.00 0.00 H new ATOM 611 N PHE A 42 82.621 0.952 9.385 1.00 0.00 N ATOM 612 CA PHE A 42 82.739 2.384 9.036 1.00 0.00 C ATOM 613 C PHE A 42 82.407 3.218 10.271 1.00 0.00 C ATOM 614 O PHE A 42 82.802 4.361 10.392 1.00 0.00 O ATOM 615 CB PHE A 42 81.702 2.601 7.944 1.00 0.00 C ATOM 616 CG PHE A 42 82.223 2.054 6.635 1.00 0.00 C ATOM 617 CD1 PHE A 42 82.496 0.687 6.508 1.00 0.00 C ATOM 618 CD2 PHE A 42 82.434 2.914 5.551 1.00 0.00 C ATOM 619 CE1 PHE A 42 82.980 0.180 5.296 1.00 0.00 C ATOM 620 CE2 PHE A 42 82.917 2.407 4.339 1.00 0.00 C ATOM 621 CZ PHE A 42 83.191 1.040 4.212 1.00 0.00 C ATOM 0 H PHE A 42 81.732 0.516 9.141 1.00 0.00 H new ATOM 0 HA PHE A 42 83.737 2.669 8.702 1.00 0.00 H new ATOM 0 HB2 PHE A 42 80.769 2.106 8.211 1.00 0.00 H new ATOM 0 HB3 PHE A 42 81.481 3.664 7.844 1.00 0.00 H new ATOM 0 HD1 PHE A 42 82.333 0.024 7.345 1.00 0.00 H new ATOM 0 HD2 PHE A 42 82.224 3.969 5.650 1.00 0.00 H new ATOM 0 HE1 PHE A 42 83.191 -0.875 5.197 1.00 0.00 H new ATOM 0 HE2 PHE A 42 83.078 3.070 3.502 1.00 0.00 H new ATOM 0 HZ PHE A 42 83.565 0.649 3.277 1.00 0.00 H new ATOM 631 N ALA A 43 81.690 2.642 11.199 1.00 0.00 N ATOM 632 CA ALA A 43 81.339 3.385 12.441 1.00 0.00 C ATOM 633 C ALA A 43 82.521 3.329 13.407 1.00 0.00 C ATOM 634 O ALA A 43 82.648 4.136 14.306 1.00 0.00 O ATOM 635 CB ALA A 43 80.131 2.649 13.020 1.00 0.00 C ATOM 0 H ALA A 43 81.333 1.688 11.149 1.00 0.00 H new ATOM 0 HA ALA A 43 81.113 4.435 12.258 1.00 0.00 H new ATOM 0 HB1 ALA A 43 79.813 3.139 13.940 1.00 0.00 H new ATOM 0 HB2 ALA A 43 79.314 2.666 12.298 1.00 0.00 H new ATOM 0 HB3 ALA A 43 80.403 1.616 13.235 1.00 0.00 H new ATOM 641 N LYS A 44 83.393 2.376 13.216 1.00 0.00 N ATOM 642 CA LYS A 44 84.580 2.253 14.105 1.00 0.00 C ATOM 643 C LYS A 44 85.824 2.764 13.375 1.00 0.00 C ATOM 644 O LYS A 44 86.841 3.040 13.978 1.00 0.00 O ATOM 645 CB LYS A 44 84.703 0.758 14.397 1.00 0.00 C ATOM 646 CG LYS A 44 83.474 0.288 15.178 1.00 0.00 C ATOM 647 CD LYS A 44 83.879 -0.052 16.613 1.00 0.00 C ATOM 648 CE LYS A 44 82.699 -0.705 17.336 1.00 0.00 C ATOM 649 NZ LYS A 44 82.418 0.186 18.495 1.00 0.00 N ATOM 0 H LYS A 44 83.332 1.675 12.478 1.00 0.00 H new ATOM 0 HA LYS A 44 84.481 2.835 15.021 1.00 0.00 H new ATOM 0 HB2 LYS A 44 84.790 0.200 13.464 1.00 0.00 H new ATOM 0 HB3 LYS A 44 85.609 0.562 14.971 1.00 0.00 H new ATOM 0 HG2 LYS A 44 82.711 1.067 15.179 1.00 0.00 H new ATOM 0 HG3 LYS A 44 83.036 -0.586 14.696 1.00 0.00 H new ATOM 0 HD2 LYS A 44 84.736 -0.726 16.610 1.00 0.00 H new ATOM 0 HD3 LYS A 44 84.186 0.852 17.139 1.00 0.00 H new ATOM 0 HE2 LYS A 44 81.831 -0.787 16.681 1.00 0.00 H new ATOM 0 HE3 LYS A 44 82.947 -1.714 17.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 81.619 -0.196 19.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 83.259 0.239 19.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 82.179 1.138 18.151 1.00 0.00 H new ATOM 663 N ASN A 45 85.748 2.893 12.077 1.00 0.00 N ATOM 664 CA ASN A 45 86.922 3.388 11.307 1.00 0.00 C ATOM 665 C ASN A 45 86.926 4.916 11.290 1.00 0.00 C ATOM 666 O ASN A 45 87.970 5.529 11.210 1.00 0.00 O ATOM 667 CB ASN A 45 86.721 2.838 9.897 1.00 0.00 C ATOM 668 CG ASN A 45 87.477 1.516 9.751 1.00 0.00 C ATOM 669 OD1 ASN A 45 88.440 1.431 9.014 1.00 0.00 O ATOM 670 ND2 ASN A 45 87.078 0.473 10.426 1.00 0.00 N ATOM 0 H ASN A 45 84.923 2.676 11.518 1.00 0.00 H new ATOM 0 HA ASN A 45 87.871 3.070 11.739 1.00 0.00 H new ATOM 0 HB2 ASN A 45 85.659 2.685 9.703 1.00 0.00 H new ATOM 0 HB3 ASN A 45 87.079 3.557 9.160 1.00 0.00 H new ATOM 0 HD21 ASN A 45 87.574 -0.414 10.335 1.00 0.00 H new ATOM 0 HD22 ASN A 45 86.270 0.544 11.044 1.00 0.00 H new ATOM 677 N ASP A 46 85.745 5.509 11.355 1.00 0.00 N ATOM 678 CA ASP A 46 85.563 7.006 11.340 1.00 0.00 C ATOM 679 C ASP A 46 84.885 7.399 10.038 1.00 0.00 C ATOM 680 O ASP A 46 85.057 8.489 9.529 1.00 0.00 O ATOM 681 CB ASP A 46 86.938 7.671 11.449 1.00 0.00 C ATOM 682 CG ASP A 46 86.763 9.178 11.648 1.00 0.00 C ATOM 683 OD1 ASP A 46 86.039 9.555 12.555 1.00 0.00 O ATOM 684 OD2 ASP A 46 87.358 9.928 10.891 1.00 0.00 O ATOM 0 H ASP A 46 84.868 4.993 11.420 1.00 0.00 H new ATOM 0 HA ASP A 46 84.945 7.330 12.177 1.00 0.00 H new ATOM 0 HB2 ASP A 46 87.494 7.245 12.284 1.00 0.00 H new ATOM 0 HB3 ASP A 46 87.519 7.478 10.548 1.00 0.00 H new ATOM 689 N LEU A 47 84.107 6.507 9.507 1.00 0.00 N ATOM 690 CA LEU A 47 83.393 6.791 8.242 1.00 0.00 C ATOM 691 C LEU A 47 81.940 7.153 8.557 1.00 0.00 C ATOM 692 O LEU A 47 81.624 7.606 9.638 1.00 0.00 O ATOM 693 CB LEU A 47 83.486 5.478 7.456 1.00 0.00 C ATOM 694 CG LEU A 47 84.766 5.478 6.619 1.00 0.00 C ATOM 695 CD1 LEU A 47 85.361 4.070 6.598 1.00 0.00 C ATOM 696 CD2 LEU A 47 84.438 5.913 5.189 1.00 0.00 C ATOM 0 H LEU A 47 83.934 5.582 9.901 1.00 0.00 H new ATOM 0 HA LEU A 47 83.811 7.625 7.679 1.00 0.00 H new ATOM 0 HB2 LEU A 47 83.486 4.630 8.141 1.00 0.00 H new ATOM 0 HB3 LEU A 47 82.615 5.365 6.810 1.00 0.00 H new ATOM 0 HG LEU A 47 85.486 6.171 7.055 1.00 0.00 H new ATOM 0 HD11 LEU A 47 86.273 4.069 6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 47 85.593 3.758 7.616 1.00 0.00 H new ATOM 0 HD13 LEU A 47 84.642 3.377 6.161 1.00 0.00 H new ATOM 0 HD21 LEU A 47 85.349 5.914 4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 47 83.719 5.219 4.754 1.00 0.00 H new ATOM 0 HD23 LEU A 47 84.012 6.916 5.203 1.00 0.00 H new ATOM 708 N ALA A 48 81.059 6.956 7.627 1.00 0.00 N ATOM 709 CA ALA A 48 79.628 7.284 7.871 1.00 0.00 C ATOM 710 C ALA A 48 78.768 6.717 6.743 1.00 0.00 C ATOM 711 O ALA A 48 78.143 7.442 5.995 1.00 0.00 O ATOM 712 CB ALA A 48 79.563 8.810 7.888 1.00 0.00 C ATOM 0 H ALA A 48 81.265 6.580 6.702 1.00 0.00 H new ATOM 0 HA ALA A 48 79.256 6.858 8.803 1.00 0.00 H new ATOM 0 HB1 ALA A 48 78.535 9.128 8.064 1.00 0.00 H new ATOM 0 HB2 ALA A 48 80.202 9.193 8.684 1.00 0.00 H new ATOM 0 HB3 ALA A 48 79.905 9.199 6.929 1.00 0.00 H new ATOM 718 N VAL A 49 78.737 5.421 6.620 1.00 0.00 N ATOM 719 CA VAL A 49 77.933 4.788 5.557 1.00 0.00 C ATOM 720 C VAL A 49 76.521 5.361 5.557 1.00 0.00 C ATOM 721 O VAL A 49 75.765 5.205 6.495 1.00 0.00 O ATOM 722 CB VAL A 49 77.924 3.308 5.918 1.00 0.00 C ATOM 723 CG1 VAL A 49 79.297 2.701 5.623 1.00 0.00 C ATOM 724 CG2 VAL A 49 77.605 3.145 7.407 1.00 0.00 C ATOM 0 H VAL A 49 79.243 4.771 7.221 1.00 0.00 H new ATOM 0 HA VAL A 49 78.337 4.961 4.560 1.00 0.00 H new ATOM 0 HB VAL A 49 77.165 2.797 5.326 1.00 0.00 H new ATOM 0 HG11 VAL A 49 79.290 1.642 5.882 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.525 2.814 4.563 1.00 0.00 H new ATOM 0 HG13 VAL A 49 80.056 3.214 6.214 1.00 0.00 H new ATOM 0 HG21 VAL A 49 77.599 2.086 7.664 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.363 3.658 8.000 1.00 0.00 H new ATOM 0 HG23 VAL A 49 76.626 3.575 7.619 1.00 0.00 H new ATOM 734 N VAL A 50 76.175 6.031 4.506 1.00 0.00 N ATOM 735 CA VAL A 50 74.818 6.642 4.407 1.00 0.00 C ATOM 736 C VAL A 50 73.796 5.607 3.936 1.00 0.00 C ATOM 737 O VAL A 50 72.638 5.658 4.299 1.00 0.00 O ATOM 738 CB VAL A 50 74.972 7.760 3.377 1.00 0.00 C ATOM 739 CG1 VAL A 50 73.738 8.663 3.406 1.00 0.00 C ATOM 740 CG2 VAL A 50 76.210 8.587 3.720 1.00 0.00 C ATOM 0 H VAL A 50 76.776 6.188 3.697 1.00 0.00 H new ATOM 0 HA VAL A 50 74.459 7.014 5.367 1.00 0.00 H new ATOM 0 HB VAL A 50 75.078 7.326 2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 50 73.852 9.459 2.670 1.00 0.00 H new ATOM 0 HG12 VAL A 50 72.851 8.075 3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 50 73.630 9.100 4.399 1.00 0.00 H new ATOM 0 HG21 VAL A 50 76.327 9.387 2.989 1.00 0.00 H new ATOM 0 HG22 VAL A 50 76.096 9.018 4.715 1.00 0.00 H new ATOM 0 HG23 VAL A 50 77.092 7.947 3.701 1.00 0.00 H new ATOM 750 N ASP A 51 74.208 4.667 3.128 1.00 0.00 N ATOM 751 CA ASP A 51 73.242 3.639 2.645 1.00 0.00 C ATOM 752 C ASP A 51 73.950 2.306 2.389 1.00 0.00 C ATOM 753 O ASP A 51 75.107 2.262 2.026 1.00 0.00 O ATOM 754 CB ASP A 51 72.682 4.203 1.341 1.00 0.00 C ATOM 755 CG ASP A 51 71.393 3.464 0.977 1.00 0.00 C ATOM 756 OD1 ASP A 51 70.642 3.141 1.883 1.00 0.00 O ATOM 757 OD2 ASP A 51 71.177 3.234 -0.202 1.00 0.00 O ATOM 0 H ASP A 51 75.163 4.567 2.784 1.00 0.00 H new ATOM 0 HA ASP A 51 72.460 3.441 3.378 1.00 0.00 H new ATOM 0 HB2 ASP A 51 72.484 5.269 1.449 1.00 0.00 H new ATOM 0 HB3 ASP A 51 73.414 4.094 0.541 1.00 0.00 H new ATOM 762 N VAL A 52 73.252 1.220 2.574 1.00 0.00 N ATOM 763 CA VAL A 52 73.857 -0.125 2.340 1.00 0.00 C ATOM 764 C VAL A 52 72.749 -1.125 1.997 1.00 0.00 C ATOM 765 O VAL A 52 72.128 -1.698 2.871 1.00 0.00 O ATOM 766 CB VAL A 52 74.531 -0.511 3.661 1.00 0.00 C ATOM 767 CG1 VAL A 52 75.518 -1.653 3.413 1.00 0.00 C ATOM 768 CG2 VAL A 52 75.285 0.692 4.234 1.00 0.00 C ATOM 0 H VAL A 52 72.279 1.205 2.880 1.00 0.00 H new ATOM 0 HA VAL A 52 74.571 -0.121 1.516 1.00 0.00 H new ATOM 0 HB VAL A 52 73.768 -0.829 4.371 1.00 0.00 H new ATOM 0 HG11 VAL A 52 75.998 -1.929 4.352 1.00 0.00 H new ATOM 0 HG12 VAL A 52 74.984 -2.514 3.012 1.00 0.00 H new ATOM 0 HG13 VAL A 52 76.276 -1.330 2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 52 75.761 0.409 5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 52 76.046 1.016 3.524 1.00 0.00 H new ATOM 0 HG23 VAL A 52 74.585 1.508 4.413 1.00 0.00 H new ATOM 778 N ARG A 53 72.486 -1.334 0.736 1.00 0.00 N ATOM 779 CA ARG A 53 71.406 -2.290 0.352 1.00 0.00 C ATOM 780 C ARG A 53 71.999 -3.562 -0.257 1.00 0.00 C ATOM 781 O ARG A 53 73.179 -3.641 -0.534 1.00 0.00 O ATOM 782 CB ARG A 53 70.561 -1.543 -0.681 1.00 0.00 C ATOM 783 CG ARG A 53 71.423 -1.204 -1.898 1.00 0.00 C ATOM 784 CD ARG A 53 70.547 -0.583 -2.988 1.00 0.00 C ATOM 785 NE ARG A 53 70.152 0.748 -2.452 1.00 0.00 N ATOM 786 CZ ARG A 53 68.890 1.044 -2.303 1.00 0.00 C ATOM 787 NH1 ARG A 53 68.117 0.267 -1.592 1.00 0.00 N ATOM 788 NH2 ARG A 53 68.399 2.115 -2.863 1.00 0.00 N ATOM 0 H ARG A 53 72.969 -0.887 -0.043 1.00 0.00 H new ATOM 0 HA ARG A 53 70.816 -2.604 1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 53 69.712 -2.156 -0.983 1.00 0.00 H new ATOM 0 HB3 ARG A 53 70.156 -0.630 -0.244 1.00 0.00 H new ATOM 0 HG2 ARG A 53 72.215 -0.511 -1.614 1.00 0.00 H new ATOM 0 HG3 ARG A 53 71.908 -2.104 -2.275 1.00 0.00 H new ATOM 0 HD2 ARG A 53 71.094 -0.484 -3.926 1.00 0.00 H new ATOM 0 HD3 ARG A 53 69.673 -1.202 -3.192 1.00 0.00 H new ATOM 0 HE ARG A 53 70.868 1.429 -2.201 1.00 0.00 H new ATOM 0 HH11 ARG A 53 68.500 -0.571 -1.154 1.00 0.00 H new ATOM 0 HH12 ARG A 53 67.130 0.498 -1.475 1.00 0.00 H new ATOM 0 HH21 ARG A 53 69.002 2.722 -3.418 1.00 0.00 H new ATOM 0 HH22 ARG A 53 67.412 2.345 -2.746 1.00 0.00 H new ATOM 802 N THR A 54 71.185 -4.563 -0.457 1.00 0.00 N ATOM 803 CA THR A 54 71.687 -5.836 -1.035 1.00 0.00 C ATOM 804 C THR A 54 71.808 -5.719 -2.557 1.00 0.00 C ATOM 805 O THR A 54 71.267 -4.818 -3.168 1.00 0.00 O ATOM 806 CB THR A 54 70.627 -6.875 -0.663 1.00 0.00 C ATOM 807 OG1 THR A 54 69.540 -6.787 -1.574 1.00 0.00 O ATOM 808 CG2 THR A 54 70.121 -6.627 0.763 1.00 0.00 C ATOM 0 H THR A 54 70.188 -4.550 -0.242 1.00 0.00 H new ATOM 0 HA THR A 54 72.675 -6.100 -0.659 1.00 0.00 H new ATOM 0 HB THR A 54 71.070 -7.870 -0.713 1.00 0.00 H new ATOM 0 HG1 THR A 54 68.861 -7.453 -1.338 1.00 0.00 H new ATOM 0 HG21 THR A 54 69.367 -7.372 1.016 1.00 0.00 H new ATOM 0 HG22 THR A 54 70.954 -6.701 1.462 1.00 0.00 H new ATOM 0 HG23 THR A 54 69.682 -5.631 0.825 1.00 0.00 H new ATOM 816 N GLY A 55 72.518 -6.625 -3.172 1.00 0.00 N ATOM 817 CA GLY A 55 72.679 -6.574 -4.652 1.00 0.00 C ATOM 818 C GLY A 55 72.469 -7.971 -5.238 1.00 0.00 C ATOM 819 O GLY A 55 73.130 -8.918 -4.860 1.00 0.00 O ATOM 0 H GLY A 55 72.995 -7.400 -2.711 1.00 0.00 H new ATOM 0 HA2 GLY A 55 71.961 -5.876 -5.082 1.00 0.00 H new ATOM 0 HA3 GLY A 55 73.673 -6.207 -4.908 1.00 0.00 H new ATOM 823 N THR A 56 71.555 -8.109 -6.159 1.00 0.00 N ATOM 824 CA THR A 56 71.306 -9.447 -6.770 1.00 0.00 C ATOM 825 C THR A 56 71.270 -10.532 -5.689 1.00 0.00 C ATOM 826 O THR A 56 72.291 -11.047 -5.277 1.00 0.00 O ATOM 827 CB THR A 56 72.485 -9.673 -7.718 1.00 0.00 C ATOM 828 OG1 THR A 56 72.630 -8.544 -8.568 1.00 0.00 O ATOM 829 CG2 THR A 56 72.232 -10.922 -8.563 1.00 0.00 C ATOM 0 H THR A 56 70.969 -7.354 -6.515 1.00 0.00 H new ATOM 0 HA THR A 56 70.348 -9.490 -7.289 1.00 0.00 H new ATOM 0 HB THR A 56 73.397 -9.810 -7.137 1.00 0.00 H new ATOM 0 HG1 THR A 56 73.386 -8.686 -9.175 1.00 0.00 H new ATOM 0 HG21 THR A 56 73.073 -11.081 -9.238 1.00 0.00 H new ATOM 0 HG22 THR A 56 72.122 -11.787 -7.909 1.00 0.00 H new ATOM 0 HG23 THR A 56 71.320 -10.789 -9.145 1.00 0.00 H new ATOM 837 N ASN A 57 70.101 -10.886 -5.229 1.00 0.00 N ATOM 838 CA ASN A 57 69.996 -11.939 -4.177 1.00 0.00 C ATOM 839 C ASN A 57 70.740 -11.504 -2.911 1.00 0.00 C ATOM 840 O ASN A 57 70.706 -10.354 -2.522 1.00 0.00 O ATOM 841 CB ASN A 57 70.651 -13.179 -4.789 1.00 0.00 C ATOM 842 CG ASN A 57 70.068 -13.433 -6.180 1.00 0.00 C ATOM 843 OD1 ASN A 57 70.612 -12.986 -7.171 1.00 0.00 O ATOM 844 ND2 ASN A 57 68.976 -14.137 -6.297 1.00 0.00 N ATOM 0 H ASN A 57 69.212 -10.491 -5.536 1.00 0.00 H new ATOM 0 HA ASN A 57 68.963 -12.127 -3.885 1.00 0.00 H new ATOM 0 HB2 ASN A 57 71.730 -13.037 -4.856 1.00 0.00 H new ATOM 0 HB3 ASN A 57 70.482 -14.045 -4.149 1.00 0.00 H new ATOM 0 HD21 ASN A 57 68.579 -14.312 -7.220 1.00 0.00 H new ATOM 0 HD22 ASN A 57 68.520 -14.512 -5.466 1.00 0.00 H new ATOM 851 N ARG A 58 71.412 -12.418 -2.262 1.00 0.00 N ATOM 852 CA ARG A 58 72.154 -12.060 -1.019 1.00 0.00 C ATOM 853 C ARG A 58 73.658 -12.259 -1.225 1.00 0.00 C ATOM 854 O ARG A 58 74.379 -12.600 -0.309 1.00 0.00 O ATOM 855 CB ARG A 58 71.627 -13.022 0.046 1.00 0.00 C ATOM 856 CG ARG A 58 71.625 -14.447 -0.509 1.00 0.00 C ATOM 857 CD ARG A 58 71.365 -15.438 0.627 1.00 0.00 C ATOM 858 NE ARG A 58 70.001 -15.974 0.365 1.00 0.00 N ATOM 859 CZ ARG A 58 69.764 -17.251 0.494 1.00 0.00 C ATOM 860 NH1 ARG A 58 70.321 -18.104 -0.322 1.00 0.00 N ATOM 861 NH2 ARG A 58 68.972 -17.676 1.440 1.00 0.00 N ATOM 0 H ARG A 58 71.479 -13.397 -2.540 1.00 0.00 H new ATOM 0 HA ARG A 58 72.008 -11.018 -0.736 1.00 0.00 H new ATOM 0 HB2 ARG A 58 72.250 -12.969 0.939 1.00 0.00 H new ATOM 0 HB3 ARG A 58 70.618 -12.735 0.343 1.00 0.00 H new ATOM 0 HG2 ARG A 58 70.858 -14.548 -1.277 1.00 0.00 H new ATOM 0 HG3 ARG A 58 72.582 -14.665 -0.984 1.00 0.00 H new ATOM 0 HD2 ARG A 58 72.108 -16.235 0.633 1.00 0.00 H new ATOM 0 HD3 ARG A 58 71.416 -14.947 1.599 1.00 0.00 H new ATOM 0 HE ARG A 58 69.251 -15.342 0.084 1.00 0.00 H new ATOM 0 HH11 ARG A 58 70.942 -17.773 -1.061 1.00 0.00 H new ATOM 0 HH12 ARG A 58 70.136 -19.102 -0.221 1.00 0.00 H new ATOM 0 HH21 ARG A 58 68.538 -17.010 2.079 1.00 0.00 H new ATOM 0 HH22 ARG A 58 68.787 -18.674 1.540 1.00 0.00 H new ATOM 875 N LYS A 59 74.136 -12.048 -2.419 1.00 0.00 N ATOM 876 CA LYS A 59 75.593 -12.225 -2.679 1.00 0.00 C ATOM 877 C LYS A 59 76.241 -10.875 -2.996 1.00 0.00 C ATOM 878 O LYS A 59 77.439 -10.707 -2.876 1.00 0.00 O ATOM 879 CB LYS A 59 75.670 -13.156 -3.890 1.00 0.00 C ATOM 880 CG LYS A 59 76.743 -14.220 -3.649 1.00 0.00 C ATOM 881 CD LYS A 59 76.967 -15.019 -4.934 1.00 0.00 C ATOM 882 CE LYS A 59 76.559 -16.476 -4.708 1.00 0.00 C ATOM 883 NZ LYS A 59 77.818 -17.256 -4.869 1.00 0.00 N ATOM 0 H LYS A 59 73.582 -11.761 -3.226 1.00 0.00 H new ATOM 0 HA LYS A 59 76.120 -12.635 -1.817 1.00 0.00 H new ATOM 0 HB2 LYS A 59 74.704 -13.631 -4.059 1.00 0.00 H new ATOM 0 HB3 LYS A 59 75.905 -12.584 -4.787 1.00 0.00 H new ATOM 0 HG2 LYS A 59 77.674 -13.748 -3.335 1.00 0.00 H new ATOM 0 HG3 LYS A 59 76.435 -14.886 -2.843 1.00 0.00 H new ATOM 0 HD2 LYS A 59 76.384 -14.589 -5.748 1.00 0.00 H new ATOM 0 HD3 LYS A 59 78.015 -14.966 -5.230 1.00 0.00 H new ATOM 0 HE2 LYS A 59 76.131 -16.617 -3.715 1.00 0.00 H new ATOM 0 HE3 LYS A 59 75.804 -16.791 -5.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 77.620 -18.267 -4.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 78.199 -17.107 -5.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 78.515 -16.939 -4.166 1.00 0.00 H new ATOM 897 N PHE A 60 75.459 -9.912 -3.399 1.00 0.00 N ATOM 898 CA PHE A 60 76.033 -8.574 -3.720 1.00 0.00 C ATOM 899 C PHE A 60 75.426 -7.504 -2.807 1.00 0.00 C ATOM 900 O PHE A 60 74.724 -7.807 -1.863 1.00 0.00 O ATOM 901 CB PHE A 60 75.651 -8.319 -5.177 1.00 0.00 C ATOM 902 CG PHE A 60 76.794 -7.640 -5.890 1.00 0.00 C ATOM 903 CD1 PHE A 60 77.927 -8.373 -6.261 1.00 0.00 C ATOM 904 CD2 PHE A 60 76.718 -6.274 -6.182 1.00 0.00 C ATOM 905 CE1 PHE A 60 78.983 -7.739 -6.924 1.00 0.00 C ATOM 906 CE2 PHE A 60 77.773 -5.639 -6.844 1.00 0.00 C ATOM 907 CZ PHE A 60 78.906 -6.372 -7.217 1.00 0.00 C ATOM 0 H PHE A 60 74.449 -9.993 -3.520 1.00 0.00 H new ATOM 0 HA PHE A 60 77.112 -8.540 -3.571 1.00 0.00 H new ATOM 0 HB2 PHE A 60 75.410 -9.261 -5.670 1.00 0.00 H new ATOM 0 HB3 PHE A 60 74.758 -7.696 -5.225 1.00 0.00 H new ATOM 0 HD1 PHE A 60 77.986 -9.428 -6.036 1.00 0.00 H new ATOM 0 HD2 PHE A 60 75.843 -5.709 -5.896 1.00 0.00 H new ATOM 0 HE1 PHE A 60 79.858 -8.304 -7.210 1.00 0.00 H new ATOM 0 HE2 PHE A 60 77.714 -4.584 -7.067 1.00 0.00 H new ATOM 0 HZ PHE A 60 79.721 -5.883 -7.731 1.00 0.00 H new ATOM 917 N GLY A 61 75.692 -6.255 -3.078 1.00 0.00 N ATOM 918 CA GLY A 61 75.129 -5.173 -2.218 1.00 0.00 C ATOM 919 C GLY A 61 75.655 -3.806 -2.663 1.00 0.00 C ATOM 920 O GLY A 61 76.716 -3.692 -3.244 1.00 0.00 O ATOM 0 H GLY A 61 76.272 -5.937 -3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 61 74.040 -5.186 -2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 61 75.398 -5.351 -1.177 1.00 0.00 H new ATOM 924 N TYR A 62 74.917 -2.765 -2.381 1.00 0.00 N ATOM 925 CA TYR A 62 75.360 -1.391 -2.767 1.00 0.00 C ATOM 926 C TYR A 62 75.525 -0.546 -1.515 1.00 0.00 C ATOM 927 O TYR A 62 75.003 -0.866 -0.466 1.00 0.00 O ATOM 928 CB TYR A 62 74.242 -0.843 -3.657 1.00 0.00 C ATOM 929 CG TYR A 62 74.700 0.426 -4.335 1.00 0.00 C ATOM 930 CD1 TYR A 62 74.831 1.607 -3.594 1.00 0.00 C ATOM 931 CD2 TYR A 62 74.988 0.424 -5.705 1.00 0.00 C ATOM 932 CE1 TYR A 62 75.251 2.785 -4.225 1.00 0.00 C ATOM 933 CE2 TYR A 62 75.407 1.602 -6.336 1.00 0.00 C ATOM 934 CZ TYR A 62 75.539 2.783 -5.595 1.00 0.00 C ATOM 935 OH TYR A 62 75.952 3.944 -6.216 1.00 0.00 O ATOM 0 H TYR A 62 74.020 -2.807 -1.897 1.00 0.00 H new ATOM 0 HA TYR A 62 76.317 -1.386 -3.289 1.00 0.00 H new ATOM 0 HB2 TYR A 62 73.964 -1.585 -4.405 1.00 0.00 H new ATOM 0 HB3 TYR A 62 73.353 -0.645 -3.058 1.00 0.00 H new ATOM 0 HD1 TYR A 62 74.608 1.610 -2.537 1.00 0.00 H new ATOM 0 HD2 TYR A 62 74.887 -0.487 -6.276 1.00 0.00 H new ATOM 0 HE1 TYR A 62 75.353 3.696 -3.654 1.00 0.00 H new ATOM 0 HE2 TYR A 62 75.628 1.600 -7.393 1.00 0.00 H new ATOM 0 HH TYR A 62 75.415 4.092 -7.022 1.00 0.00 H new ATOM 945 N VAL A 63 76.270 0.517 -1.600 1.00 0.00 N ATOM 946 CA VAL A 63 76.483 1.348 -0.393 1.00 0.00 C ATOM 947 C VAL A 63 76.712 2.812 -0.773 1.00 0.00 C ATOM 948 O VAL A 63 77.347 3.118 -1.763 1.00 0.00 O ATOM 949 CB VAL A 63 77.738 0.767 0.256 1.00 0.00 C ATOM 950 CG1 VAL A 63 77.817 1.230 1.702 1.00 0.00 C ATOM 951 CG2 VAL A 63 77.690 -0.764 0.226 1.00 0.00 C ATOM 0 H VAL A 63 76.736 0.842 -2.447 1.00 0.00 H new ATOM 0 HA VAL A 63 75.620 1.332 0.273 1.00 0.00 H new ATOM 0 HB VAL A 63 78.612 1.110 -0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 63 78.712 0.817 2.168 1.00 0.00 H new ATOM 0 HG12 VAL A 63 77.861 2.319 1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 63 76.935 0.887 2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 63 78.590 -1.165 0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 63 76.813 -1.111 0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 63 77.633 -1.106 -0.807 1.00 0.00 H new ATOM 961 N ASP A 64 76.205 3.716 0.016 1.00 0.00 N ATOM 962 CA ASP A 64 76.395 5.160 -0.279 1.00 0.00 C ATOM 963 C ASP A 64 77.209 5.811 0.840 1.00 0.00 C ATOM 964 O ASP A 64 77.140 5.407 1.985 1.00 0.00 O ATOM 965 CB ASP A 64 74.985 5.740 -0.322 1.00 0.00 C ATOM 966 CG ASP A 64 74.180 5.049 -1.424 1.00 0.00 C ATOM 967 OD1 ASP A 64 74.425 3.878 -1.664 1.00 0.00 O ATOM 968 OD2 ASP A 64 73.332 5.701 -2.009 1.00 0.00 O ATOM 0 H ASP A 64 75.664 3.514 0.857 1.00 0.00 H new ATOM 0 HA ASP A 64 76.933 5.331 -1.212 1.00 0.00 H new ATOM 0 HB2 ASP A 64 74.495 5.602 0.642 1.00 0.00 H new ATOM 0 HB3 ASP A 64 75.028 6.813 -0.507 1.00 0.00 H new ATOM 973 N PHE A 65 77.981 6.812 0.520 1.00 0.00 N ATOM 974 CA PHE A 65 78.804 7.481 1.568 1.00 0.00 C ATOM 975 C PHE A 65 78.276 8.893 1.837 1.00 0.00 C ATOM 976 O PHE A 65 77.326 9.337 1.223 1.00 0.00 O ATOM 977 CB PHE A 65 80.219 7.516 0.994 1.00 0.00 C ATOM 978 CG PHE A 65 80.819 6.135 1.099 1.00 0.00 C ATOM 979 CD1 PHE A 65 80.706 5.416 2.295 1.00 0.00 C ATOM 980 CD2 PHE A 65 81.478 5.567 0.001 1.00 0.00 C ATOM 981 CE1 PHE A 65 81.249 4.129 2.394 1.00 0.00 C ATOM 982 CE2 PHE A 65 82.024 4.282 0.100 1.00 0.00 C ATOM 983 CZ PHE A 65 81.908 3.562 1.297 1.00 0.00 C ATOM 0 H PHE A 65 78.078 7.196 -0.420 1.00 0.00 H new ATOM 0 HA PHE A 65 78.773 6.956 2.523 1.00 0.00 H new ATOM 0 HB2 PHE A 65 80.197 7.840 -0.047 1.00 0.00 H new ATOM 0 HB3 PHE A 65 80.830 8.236 1.539 1.00 0.00 H new ATOM 0 HD1 PHE A 65 80.200 5.854 3.142 1.00 0.00 H new ATOM 0 HD2 PHE A 65 81.565 6.121 -0.922 1.00 0.00 H new ATOM 0 HE1 PHE A 65 81.159 3.574 3.316 1.00 0.00 H new ATOM 0 HE2 PHE A 65 82.535 3.845 -0.746 1.00 0.00 H new ATOM 0 HZ PHE A 65 82.327 2.570 1.373 1.00 0.00 H new ATOM 993 N GLU A 66 78.870 9.594 2.765 1.00 0.00 N ATOM 994 CA GLU A 66 78.379 10.966 3.084 1.00 0.00 C ATOM 995 C GLU A 66 79.426 12.029 2.747 1.00 0.00 C ATOM 996 O GLU A 66 79.316 13.167 3.158 1.00 0.00 O ATOM 997 CB GLU A 66 78.102 10.945 4.592 1.00 0.00 C ATOM 998 CG GLU A 66 79.416 11.098 5.365 1.00 0.00 C ATOM 999 CD GLU A 66 79.453 12.467 6.046 1.00 0.00 C ATOM 1000 OE1 GLU A 66 79.923 13.405 5.424 1.00 0.00 O ATOM 1001 OE2 GLU A 66 79.009 12.555 7.179 1.00 0.00 O ATOM 0 H GLU A 66 79.670 9.278 3.314 1.00 0.00 H new ATOM 0 HA GLU A 66 77.494 11.219 2.500 1.00 0.00 H new ATOM 0 HB2 GLU A 66 77.418 11.752 4.856 1.00 0.00 H new ATOM 0 HB3 GLU A 66 77.614 10.010 4.868 1.00 0.00 H new ATOM 0 HG2 GLU A 66 79.506 10.307 6.110 1.00 0.00 H new ATOM 0 HG3 GLU A 66 80.263 10.995 4.687 1.00 0.00 H new ATOM 1008 N SER A 67 80.438 11.679 2.012 1.00 0.00 N ATOM 1009 CA SER A 67 81.476 12.700 1.672 1.00 0.00 C ATOM 1010 C SER A 67 82.596 12.118 0.825 1.00 0.00 C ATOM 1011 O SER A 67 82.677 10.929 0.588 1.00 0.00 O ATOM 1012 CB SER A 67 82.046 13.152 3.013 1.00 0.00 C ATOM 1013 OG SER A 67 82.255 12.017 3.842 1.00 0.00 O ATOM 0 H SER A 67 80.596 10.745 1.633 1.00 0.00 H new ATOM 0 HA SER A 67 81.037 13.512 1.092 1.00 0.00 H new ATOM 0 HB2 SER A 67 82.985 13.683 2.861 1.00 0.00 H new ATOM 0 HB3 SER A 67 81.361 13.848 3.496 1.00 0.00 H new ATOM 0 HG SER A 67 82.622 12.305 4.704 1.00 0.00 H new ATOM 1019 N ALA A 68 83.487 12.968 0.413 1.00 0.00 N ATOM 1020 CA ALA A 68 84.655 12.518 -0.379 1.00 0.00 C ATOM 1021 C ALA A 68 85.654 11.917 0.588 1.00 0.00 C ATOM 1022 O ALA A 68 86.483 11.099 0.244 1.00 0.00 O ATOM 1023 CB ALA A 68 85.224 13.794 -0.986 1.00 0.00 C ATOM 0 H ALA A 68 83.454 13.971 0.595 1.00 0.00 H new ATOM 0 HA ALA A 68 84.413 11.781 -1.145 1.00 0.00 H new ATOM 0 HB1 ALA A 68 86.097 13.551 -1.592 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.468 14.267 -1.612 1.00 0.00 H new ATOM 0 HB3 ALA A 68 85.515 14.478 -0.189 1.00 0.00 H new ATOM 1029 N GLU A 69 85.558 12.335 1.814 1.00 0.00 N ATOM 1030 CA GLU A 69 86.465 11.825 2.860 1.00 0.00 C ATOM 1031 C GLU A 69 85.931 10.488 3.373 1.00 0.00 C ATOM 1032 O GLU A 69 86.673 9.631 3.814 1.00 0.00 O ATOM 1033 CB GLU A 69 86.413 12.901 3.937 1.00 0.00 C ATOM 1034 CG GLU A 69 87.826 13.194 4.433 1.00 0.00 C ATOM 1035 CD GLU A 69 87.948 12.797 5.905 1.00 0.00 C ATOM 1036 OE1 GLU A 69 86.968 12.938 6.619 1.00 0.00 O ATOM 1037 OE2 GLU A 69 89.017 12.359 6.294 1.00 0.00 O ATOM 0 H GLU A 69 84.876 13.021 2.137 1.00 0.00 H new ATOM 0 HA GLU A 69 87.484 11.644 2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 69 85.961 13.809 3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 69 85.786 12.571 4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 69 88.553 12.643 3.836 1.00 0.00 H new ATOM 0 HG3 GLU A 69 88.052 14.253 4.312 1.00 0.00 H new ATOM 1044 N ASP A 70 84.644 10.290 3.271 1.00 0.00 N ATOM 1045 CA ASP A 70 84.054 9.004 3.704 1.00 0.00 C ATOM 1046 C ASP A 70 84.274 8.008 2.578 1.00 0.00 C ATOM 1047 O ASP A 70 84.357 6.814 2.782 1.00 0.00 O ATOM 1048 CB ASP A 70 82.565 9.298 3.905 1.00 0.00 C ATOM 1049 CG ASP A 70 81.763 7.998 3.831 1.00 0.00 C ATOM 1050 OD1 ASP A 70 82.360 6.945 3.983 1.00 0.00 O ATOM 1051 OD2 ASP A 70 80.564 8.080 3.623 1.00 0.00 O ATOM 0 H ASP A 70 83.979 10.970 2.904 1.00 0.00 H new ATOM 0 HA ASP A 70 84.488 8.594 4.616 1.00 0.00 H new ATOM 0 HB2 ASP A 70 82.407 9.778 4.871 1.00 0.00 H new ATOM 0 HB3 ASP A 70 82.217 9.994 3.142 1.00 0.00 H new ATOM 1056 N LEU A 71 84.397 8.514 1.382 1.00 0.00 N ATOM 1057 CA LEU A 71 84.642 7.629 0.224 1.00 0.00 C ATOM 1058 C LEU A 71 86.127 7.264 0.183 1.00 0.00 C ATOM 1059 O LEU A 71 86.502 6.173 -0.197 1.00 0.00 O ATOM 1060 CB LEU A 71 84.252 8.453 -1.004 1.00 0.00 C ATOM 1061 CG LEU A 71 84.733 7.742 -2.270 1.00 0.00 C ATOM 1062 CD1 LEU A 71 83.773 8.043 -3.421 1.00 0.00 C ATOM 1063 CD2 LEU A 71 86.134 8.239 -2.631 1.00 0.00 C ATOM 0 H LEU A 71 84.337 9.508 1.163 1.00 0.00 H new ATOM 0 HA LEU A 71 84.074 6.700 0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 71 83.171 8.586 -1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 71 84.694 9.448 -0.943 1.00 0.00 H new ATOM 0 HG LEU A 71 84.762 6.667 -2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 71 84.116 7.536 -4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 71 82.774 7.690 -3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 71 83.743 9.118 -3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 71 86.478 7.733 -3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 71 86.105 9.314 -2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 71 86.819 8.024 -1.811 1.00 0.00 H new ATOM 1075 N GLU A 72 86.972 8.176 0.589 1.00 0.00 N ATOM 1076 CA GLU A 72 88.435 7.893 0.596 1.00 0.00 C ATOM 1077 C GLU A 72 88.757 6.895 1.709 1.00 0.00 C ATOM 1078 O GLU A 72 89.621 6.047 1.570 1.00 0.00 O ATOM 1079 CB GLU A 72 89.100 9.242 0.871 1.00 0.00 C ATOM 1080 CG GLU A 72 89.751 9.762 -0.412 1.00 0.00 C ATOM 1081 CD GLU A 72 89.967 11.272 -0.301 1.00 0.00 C ATOM 1082 OE1 GLU A 72 89.009 12.003 -0.489 1.00 0.00 O ATOM 1083 OE2 GLU A 72 91.088 11.672 -0.028 1.00 0.00 O ATOM 0 H GLU A 72 86.710 9.106 0.916 1.00 0.00 H new ATOM 0 HA GLU A 72 88.784 7.458 -0.341 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.361 9.957 1.232 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.850 9.136 1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 72 90.704 9.259 -0.578 1.00 0.00 H new ATOM 0 HG3 GLU A 72 89.118 9.537 -1.270 1.00 0.00 H new ATOM 1090 N LYS A 73 88.043 6.962 2.801 1.00 0.00 N ATOM 1091 CA LYS A 73 88.289 5.995 3.895 1.00 0.00 C ATOM 1092 C LYS A 73 87.646 4.688 3.482 1.00 0.00 C ATOM 1093 O LYS A 73 88.075 3.613 3.850 1.00 0.00 O ATOM 1094 CB LYS A 73 87.597 6.585 5.126 1.00 0.00 C ATOM 1095 CG LYS A 73 88.544 7.564 5.824 1.00 0.00 C ATOM 1096 CD LYS A 73 89.376 6.814 6.866 1.00 0.00 C ATOM 1097 CE LYS A 73 89.118 7.410 8.251 1.00 0.00 C ATOM 1098 NZ LYS A 73 90.383 7.189 9.006 1.00 0.00 N ATOM 0 H LYS A 73 87.305 7.643 2.977 1.00 0.00 H new ATOM 0 HA LYS A 73 89.344 5.818 4.105 1.00 0.00 H new ATOM 0 HB2 LYS A 73 86.681 7.097 4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 73 87.310 5.788 5.812 1.00 0.00 H new ATOM 0 HG2 LYS A 73 89.199 8.037 5.092 1.00 0.00 H new ATOM 0 HG3 LYS A 73 87.973 8.360 6.303 1.00 0.00 H new ATOM 0 HD2 LYS A 73 89.117 5.755 6.860 1.00 0.00 H new ATOM 0 HD3 LYS A 73 90.436 6.884 6.620 1.00 0.00 H new ATOM 0 HE2 LYS A 73 88.877 8.471 8.186 1.00 0.00 H new ATOM 0 HE3 LYS A 73 88.275 6.922 8.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 90.284 7.572 9.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 90.583 6.170 9.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 91.166 7.671 8.520 1.00 0.00 H new ATOM 1112 N ALA A 74 86.622 4.785 2.682 1.00 0.00 N ATOM 1113 CA ALA A 74 85.948 3.564 2.203 1.00 0.00 C ATOM 1114 C ALA A 74 86.861 2.861 1.200 1.00 0.00 C ATOM 1115 O ALA A 74 86.792 1.663 1.009 1.00 0.00 O ATOM 1116 CB ALA A 74 84.663 4.044 1.533 1.00 0.00 C ATOM 0 H ALA A 74 86.227 5.662 2.343 1.00 0.00 H new ATOM 0 HA ALA A 74 85.727 2.856 3.002 1.00 0.00 H new ATOM 0 HB1 ALA A 74 84.109 3.186 1.152 1.00 0.00 H new ATOM 0 HB2 ALA A 74 84.051 4.577 2.260 1.00 0.00 H new ATOM 0 HB3 ALA A 74 84.910 4.712 0.708 1.00 0.00 H new ATOM 1122 N LEU A 75 87.741 3.605 0.578 1.00 0.00 N ATOM 1123 CA LEU A 75 88.687 2.990 -0.388 1.00 0.00 C ATOM 1124 C LEU A 75 89.735 2.224 0.406 1.00 0.00 C ATOM 1125 O LEU A 75 90.014 1.071 0.143 1.00 0.00 O ATOM 1126 CB LEU A 75 89.318 4.163 -1.138 1.00 0.00 C ATOM 1127 CG LEU A 75 90.004 3.650 -2.404 1.00 0.00 C ATOM 1128 CD1 LEU A 75 90.056 4.769 -3.447 1.00 0.00 C ATOM 1129 CD2 LEU A 75 91.428 3.203 -2.067 1.00 0.00 C ATOM 0 H LEU A 75 87.841 4.613 0.701 1.00 0.00 H new ATOM 0 HA LEU A 75 88.213 2.298 -1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 75 88.554 4.896 -1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 75 90.042 4.670 -0.499 1.00 0.00 H new ATOM 0 HG LEU A 75 89.442 2.806 -2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 75 90.545 4.403 -4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 75 89.042 5.089 -3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 75 90.618 5.613 -3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 75 91.918 2.837 -2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 75 91.989 4.047 -1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 75 91.393 2.406 -1.325 1.00 0.00 H new ATOM 1141 N GLU A 76 90.294 2.851 1.406 1.00 0.00 N ATOM 1142 CA GLU A 76 91.295 2.148 2.246 1.00 0.00 C ATOM 1143 C GLU A 76 90.576 1.093 3.087 1.00 0.00 C ATOM 1144 O GLU A 76 91.190 0.250 3.713 1.00 0.00 O ATOM 1145 CB GLU A 76 91.896 3.225 3.141 1.00 0.00 C ATOM 1146 CG GLU A 76 93.357 3.458 2.753 1.00 0.00 C ATOM 1147 CD GLU A 76 93.543 4.912 2.312 1.00 0.00 C ATOM 1148 OE1 GLU A 76 93.242 5.792 3.101 1.00 0.00 O ATOM 1149 OE2 GLU A 76 93.983 5.119 1.193 1.00 0.00 O ATOM 0 H GLU A 76 90.099 3.816 1.674 1.00 0.00 H new ATOM 0 HA GLU A 76 92.064 1.645 1.660 1.00 0.00 H new ATOM 0 HB2 GLU A 76 91.331 4.152 3.042 1.00 0.00 H new ATOM 0 HB3 GLU A 76 91.831 2.922 4.186 1.00 0.00 H new ATOM 0 HG2 GLU A 76 94.008 3.237 3.599 1.00 0.00 H new ATOM 0 HG3 GLU A 76 93.642 2.783 1.946 1.00 0.00 H new ATOM 1156 N LEU A 77 89.267 1.139 3.100 1.00 0.00 N ATOM 1157 CA LEU A 77 88.480 0.151 3.887 1.00 0.00 C ATOM 1158 C LEU A 77 88.629 -1.252 3.289 1.00 0.00 C ATOM 1159 O LEU A 77 88.099 -2.212 3.808 1.00 0.00 O ATOM 1160 CB LEU A 77 87.032 0.630 3.768 1.00 0.00 C ATOM 1161 CG LEU A 77 86.418 0.785 5.161 1.00 0.00 C ATOM 1162 CD1 LEU A 77 86.205 -0.596 5.781 1.00 0.00 C ATOM 1163 CD2 LEU A 77 87.358 1.604 6.047 1.00 0.00 C ATOM 0 H LEU A 77 88.709 1.826 2.593 1.00 0.00 H new ATOM 0 HA LEU A 77 88.813 0.087 4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 77 86.997 1.582 3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 77 86.451 -0.083 3.182 1.00 0.00 H new ATOM 0 HG LEU A 77 85.460 1.298 5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 77 85.768 -0.486 6.773 1.00 0.00 H new ATOM 0 HD12 LEU A 77 85.533 -1.178 5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 77 87.163 -1.110 5.862 1.00 0.00 H new ATOM 0 HD21 LEU A 77 86.920 1.714 7.039 1.00 0.00 H new ATOM 0 HD22 LEU A 77 88.318 1.094 6.129 1.00 0.00 H new ATOM 0 HD23 LEU A 77 87.508 2.589 5.606 1.00 0.00 H new ATOM 1175 N THR A 78 89.343 -1.382 2.200 1.00 0.00 N ATOM 1176 CA THR A 78 89.515 -2.727 1.579 1.00 0.00 C ATOM 1177 C THR A 78 89.837 -3.764 2.644 1.00 0.00 C ATOM 1178 O THR A 78 89.581 -4.941 2.491 1.00 0.00 O ATOM 1179 CB THR A 78 90.677 -2.575 0.595 1.00 0.00 C ATOM 1180 OG1 THR A 78 90.243 -1.830 -0.534 1.00 0.00 O ATOM 1181 CG2 THR A 78 91.152 -3.957 0.145 1.00 0.00 C ATOM 0 H THR A 78 89.812 -0.617 1.716 1.00 0.00 H new ATOM 0 HA THR A 78 88.608 -3.065 1.077 1.00 0.00 H new ATOM 0 HB THR A 78 91.500 -2.052 1.082 1.00 0.00 H new ATOM 0 HG1 THR A 78 90.187 -0.881 -0.298 1.00 0.00 H new ATOM 0 HG21 THR A 78 91.980 -3.847 -0.556 1.00 0.00 H new ATOM 0 HG22 THR A 78 91.484 -4.528 1.012 1.00 0.00 H new ATOM 0 HG23 THR A 78 90.331 -4.483 -0.343 1.00 0.00 H new ATOM 1189 N GLY A 79 90.384 -3.322 3.723 1.00 0.00 N ATOM 1190 CA GLY A 79 90.722 -4.261 4.832 1.00 0.00 C ATOM 1191 C GLY A 79 89.429 -4.880 5.367 1.00 0.00 C ATOM 1192 O GLY A 79 89.442 -5.883 6.055 1.00 0.00 O ATOM 0 H GLY A 79 90.618 -2.345 3.897 1.00 0.00 H new ATOM 0 HA2 GLY A 79 91.394 -5.041 4.474 1.00 0.00 H new ATOM 0 HA3 GLY A 79 91.244 -3.731 5.629 1.00 0.00 H new ATOM 1196 N LEU A 80 88.314 -4.279 5.055 1.00 0.00 N ATOM 1197 CA LEU A 80 87.004 -4.799 5.529 1.00 0.00 C ATOM 1198 C LEU A 80 86.909 -6.321 5.350 1.00 0.00 C ATOM 1199 O LEU A 80 87.793 -6.955 4.812 1.00 0.00 O ATOM 1200 CB LEU A 80 85.977 -4.080 4.654 1.00 0.00 C ATOM 1201 CG LEU A 80 86.366 -4.202 3.177 1.00 0.00 C ATOM 1202 CD1 LEU A 80 85.998 -5.592 2.668 1.00 0.00 C ATOM 1203 CD2 LEU A 80 85.612 -3.146 2.367 1.00 0.00 C ATOM 0 H LEU A 80 88.256 -3.437 4.483 1.00 0.00 H new ATOM 0 HA LEU A 80 86.848 -4.618 6.593 1.00 0.00 H new ATOM 0 HB2 LEU A 80 84.988 -4.509 4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 80 85.919 -3.029 4.937 1.00 0.00 H new ATOM 0 HG LEU A 80 87.440 -4.048 3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 80 86.274 -5.680 1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 80 86.532 -6.345 3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 80 84.924 -5.746 2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 80 85.886 -3.230 1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 80 84.539 -3.302 2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 80 85.873 -2.153 2.732 1.00 0.00 H new ATOM 1215 N LYS A 81 85.835 -6.903 5.815 1.00 0.00 N ATOM 1216 CA LYS A 81 85.652 -8.382 5.705 1.00 0.00 C ATOM 1217 C LYS A 81 84.295 -8.763 6.261 1.00 0.00 C ATOM 1218 O LYS A 81 84.166 -9.550 7.177 1.00 0.00 O ATOM 1219 CB LYS A 81 86.733 -8.962 6.569 1.00 0.00 C ATOM 1220 CG LYS A 81 87.780 -9.662 5.699 1.00 0.00 C ATOM 1221 CD LYS A 81 89.054 -9.888 6.515 1.00 0.00 C ATOM 1222 CE LYS A 81 90.276 -9.737 5.607 1.00 0.00 C ATOM 1223 NZ LYS A 81 91.166 -10.874 5.968 1.00 0.00 N ATOM 0 H LYS A 81 85.067 -6.411 6.272 1.00 0.00 H new ATOM 0 HA LYS A 81 85.705 -8.738 4.676 1.00 0.00 H new ATOM 0 HB2 LYS A 81 87.204 -8.173 7.155 1.00 0.00 H new ATOM 0 HB3 LYS A 81 86.303 -9.671 7.276 1.00 0.00 H new ATOM 0 HG2 LYS A 81 87.392 -10.615 5.340 1.00 0.00 H new ATOM 0 HG3 LYS A 81 88.001 -9.057 4.820 1.00 0.00 H new ATOM 0 HD2 LYS A 81 89.106 -9.171 7.334 1.00 0.00 H new ATOM 0 HD3 LYS A 81 89.041 -10.882 6.962 1.00 0.00 H new ATOM 0 HE2 LYS A 81 89.993 -9.775 4.555 1.00 0.00 H new ATOM 0 HE3 LYS A 81 90.772 -8.780 5.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 92.027 -10.839 5.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 91.424 -10.807 6.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 90.669 -11.772 5.797 1.00 0.00 H new ATOM 1237 N VAL A 82 83.299 -8.179 5.708 1.00 0.00 N ATOM 1238 CA VAL A 82 81.901 -8.442 6.166 1.00 0.00 C ATOM 1239 C VAL A 82 81.721 -9.920 6.529 1.00 0.00 C ATOM 1240 O VAL A 82 81.965 -10.802 5.729 1.00 0.00 O ATOM 1241 CB VAL A 82 81.008 -8.050 4.982 1.00 0.00 C ATOM 1242 CG1 VAL A 82 80.913 -9.211 3.985 1.00 0.00 C ATOM 1243 CG2 VAL A 82 79.607 -7.711 5.495 1.00 0.00 C ATOM 0 H VAL A 82 83.378 -7.513 4.940 1.00 0.00 H new ATOM 0 HA VAL A 82 81.650 -7.875 7.062 1.00 0.00 H new ATOM 0 HB VAL A 82 81.441 -7.184 4.482 1.00 0.00 H new ATOM 0 HG11 VAL A 82 80.277 -8.921 3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 82 81.909 -9.456 3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 82 80.486 -10.083 4.481 1.00 0.00 H new ATOM 0 HG21 VAL A 82 78.970 -7.432 4.656 1.00 0.00 H new ATOM 0 HG22 VAL A 82 79.184 -8.580 5.999 1.00 0.00 H new ATOM 0 HG23 VAL A 82 79.668 -6.879 6.197 1.00 0.00 H new ATOM 1253 N PHE A 83 81.297 -10.196 7.731 1.00 0.00 N ATOM 1254 CA PHE A 83 81.102 -11.614 8.149 1.00 0.00 C ATOM 1255 C PHE A 83 82.264 -12.482 7.658 1.00 0.00 C ATOM 1256 O PHE A 83 82.120 -13.672 7.458 1.00 0.00 O ATOM 1257 CB PHE A 83 79.793 -12.045 7.488 1.00 0.00 C ATOM 1258 CG PHE A 83 78.657 -11.888 8.472 1.00 0.00 C ATOM 1259 CD1 PHE A 83 78.167 -10.613 8.778 1.00 0.00 C ATOM 1260 CD2 PHE A 83 78.097 -13.018 9.080 1.00 0.00 C ATOM 1261 CE1 PHE A 83 77.115 -10.467 9.690 1.00 0.00 C ATOM 1262 CE2 PHE A 83 77.046 -12.873 9.994 1.00 0.00 C ATOM 1263 CZ PHE A 83 76.554 -11.597 10.299 1.00 0.00 C ATOM 0 H PHE A 83 81.077 -9.500 8.443 1.00 0.00 H new ATOM 0 HA PHE A 83 81.067 -11.721 9.233 1.00 0.00 H new ATOM 0 HB2 PHE A 83 79.605 -11.441 6.600 1.00 0.00 H new ATOM 0 HB3 PHE A 83 79.863 -13.082 7.159 1.00 0.00 H new ATOM 0 HD1 PHE A 83 78.601 -9.741 8.310 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.476 -14.002 8.844 1.00 0.00 H new ATOM 0 HE1 PHE A 83 76.736 -9.483 9.924 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.615 -13.745 10.464 1.00 0.00 H new ATOM 0 HZ PHE A 83 75.743 -11.485 11.003 1.00 0.00 H new ATOM 1273 N GLY A 84 83.417 -11.899 7.464 1.00 0.00 N ATOM 1274 CA GLY A 84 84.584 -12.696 6.991 1.00 0.00 C ATOM 1275 C GLY A 84 84.623 -12.698 5.462 1.00 0.00 C ATOM 1276 O GLY A 84 85.186 -13.582 4.847 1.00 0.00 O ATOM 0 H GLY A 84 83.600 -10.907 7.613 1.00 0.00 H new ATOM 0 HA2 GLY A 84 85.508 -12.275 7.387 1.00 0.00 H new ATOM 0 HA3 GLY A 84 84.514 -13.718 7.364 1.00 0.00 H new ATOM 1280 N ASN A 85 84.033 -11.713 4.841 1.00 0.00 N ATOM 1281 CA ASN A 85 84.044 -11.660 3.350 1.00 0.00 C ATOM 1282 C ASN A 85 84.368 -10.241 2.879 1.00 0.00 C ATOM 1283 O ASN A 85 83.487 -9.459 2.594 1.00 0.00 O ATOM 1284 CB ASN A 85 82.630 -12.060 2.923 1.00 0.00 C ATOM 1285 CG ASN A 85 82.435 -13.562 3.140 1.00 0.00 C ATOM 1286 OD1 ASN A 85 82.677 -14.067 4.218 1.00 0.00 O ATOM 1287 ND2 ASN A 85 82.006 -14.300 2.154 1.00 0.00 N ATOM 0 H ASN A 85 83.545 -10.944 5.300 1.00 0.00 H new ATOM 0 HA ASN A 85 84.797 -12.320 2.919 1.00 0.00 H new ATOM 0 HB2 ASN A 85 81.893 -11.500 3.499 1.00 0.00 H new ATOM 0 HB3 ASN A 85 82.471 -11.810 1.874 1.00 0.00 H new ATOM 0 HD21 ASN A 85 81.873 -15.302 2.288 1.00 0.00 H new ATOM 0 HD22 ASN A 85 81.803 -13.875 1.249 1.00 0.00 H new ATOM 1294 N GLU A 86 85.631 -9.912 2.802 1.00 0.00 N ATOM 1295 CA GLU A 86 86.035 -8.546 2.353 1.00 0.00 C ATOM 1296 C GLU A 86 85.116 -8.049 1.237 1.00 0.00 C ATOM 1297 O GLU A 86 85.342 -8.298 0.069 1.00 0.00 O ATOM 1298 CB GLU A 86 87.470 -8.717 1.857 1.00 0.00 C ATOM 1299 CG GLU A 86 87.829 -7.600 0.870 1.00 0.00 C ATOM 1300 CD GLU A 86 89.266 -7.141 1.119 1.00 0.00 C ATOM 1301 OE1 GLU A 86 89.718 -7.260 2.246 1.00 0.00 O ATOM 1302 OE2 GLU A 86 89.891 -6.680 0.179 1.00 0.00 O ATOM 0 H GLU A 86 86.405 -10.535 3.032 1.00 0.00 H new ATOM 0 HA GLU A 86 85.964 -7.805 3.149 1.00 0.00 H new ATOM 0 HB2 GLU A 86 88.158 -8.700 2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 86 87.582 -9.688 1.374 1.00 0.00 H new ATOM 0 HG2 GLU A 86 87.723 -7.957 -0.154 1.00 0.00 H new ATOM 0 HG3 GLU A 86 87.143 -6.762 0.988 1.00 0.00 H new ATOM 1309 N ILE A 87 84.081 -7.345 1.597 1.00 0.00 N ATOM 1310 CA ILE A 87 83.142 -6.825 0.570 1.00 0.00 C ATOM 1311 C ILE A 87 83.918 -6.118 -0.538 1.00 0.00 C ATOM 1312 O ILE A 87 84.883 -5.422 -0.293 1.00 0.00 O ATOM 1313 CB ILE A 87 82.241 -5.836 1.308 1.00 0.00 C ATOM 1314 CG1 ILE A 87 83.099 -4.925 2.189 1.00 0.00 C ATOM 1315 CG2 ILE A 87 81.252 -6.606 2.182 1.00 0.00 C ATOM 1316 CD1 ILE A 87 82.365 -3.603 2.423 1.00 0.00 C ATOM 0 H ILE A 87 83.845 -7.107 2.561 1.00 0.00 H new ATOM 0 HA ILE A 87 82.565 -7.622 0.100 1.00 0.00 H new ATOM 0 HB ILE A 87 81.694 -5.231 0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 87 83.305 -5.412 3.142 1.00 0.00 H new ATOM 0 HG13 ILE A 87 84.061 -4.740 1.711 1.00 0.00 H new ATOM 0 HG21 ILE A 87 80.608 -5.902 2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 87 80.642 -7.256 1.555 1.00 0.00 H new ATOM 0 HG23 ILE A 87 81.800 -7.210 2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 87 82.976 -2.954 3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 87 82.181 -3.115 1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 87 81.414 -3.798 2.919 1.00 0.00 H new ATOM 1328 N LYS A 88 83.494 -6.286 -1.753 1.00 0.00 N ATOM 1329 CA LYS A 88 84.188 -5.624 -2.887 1.00 0.00 C ATOM 1330 C LYS A 88 83.316 -4.487 -3.410 1.00 0.00 C ATOM 1331 O LYS A 88 82.118 -4.488 -3.229 1.00 0.00 O ATOM 1332 CB LYS A 88 84.347 -6.714 -3.949 1.00 0.00 C ATOM 1333 CG LYS A 88 85.235 -7.834 -3.403 1.00 0.00 C ATOM 1334 CD LYS A 88 86.628 -7.730 -4.027 1.00 0.00 C ATOM 1335 CE LYS A 88 87.090 -9.118 -4.478 1.00 0.00 C ATOM 1336 NZ LYS A 88 88.066 -9.555 -3.441 1.00 0.00 N ATOM 0 H LYS A 88 82.690 -6.858 -2.013 1.00 0.00 H new ATOM 0 HA LYS A 88 85.151 -5.199 -2.605 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.371 -7.112 -4.226 1.00 0.00 H new ATOM 0 HB3 LYS A 88 84.788 -6.294 -4.853 1.00 0.00 H new ATOM 0 HG2 LYS A 88 85.305 -7.761 -2.318 1.00 0.00 H new ATOM 0 HG3 LYS A 88 84.795 -8.805 -3.630 1.00 0.00 H new ATOM 0 HD2 LYS A 88 86.607 -7.048 -4.877 1.00 0.00 H new ATOM 0 HD3 LYS A 88 87.332 -7.318 -3.304 1.00 0.00 H new ATOM 0 HE2 LYS A 88 86.251 -9.810 -4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 88 87.553 -9.079 -5.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 88.428 -10.500 -3.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 88.857 -8.881 -3.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 87.596 -9.590 -2.514 1.00 0.00 H new ATOM 1350 N LEU A 89 83.899 -3.513 -4.042 1.00 0.00 N ATOM 1351 CA LEU A 89 83.092 -2.380 -4.558 1.00 0.00 C ATOM 1352 C LEU A 89 83.240 -2.262 -6.076 1.00 0.00 C ATOM 1353 O LEU A 89 84.039 -2.942 -6.689 1.00 0.00 O ATOM 1354 CB LEU A 89 83.661 -1.140 -3.868 1.00 0.00 C ATOM 1355 CG LEU A 89 85.185 -1.248 -3.752 1.00 0.00 C ATOM 1356 CD1 LEU A 89 85.801 0.152 -3.803 1.00 0.00 C ATOM 1357 CD2 LEU A 89 85.548 -1.915 -2.423 1.00 0.00 C ATOM 0 H LEU A 89 84.901 -3.452 -4.224 1.00 0.00 H new ATOM 0 HA LEU A 89 82.029 -2.511 -4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 89 83.395 -0.247 -4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 89 83.221 -1.033 -2.877 1.00 0.00 H new ATOM 0 HG LEU A 89 85.571 -1.846 -4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 89 86.885 0.076 -3.720 1.00 0.00 H new ATOM 0 HD12 LEU A 89 85.542 0.629 -4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.415 0.749 -2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 89 86.632 -1.993 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 89 85.162 -1.316 -1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.109 -2.912 -2.384 1.00 0.00 H new ATOM 1369 N GLU A 90 82.473 -1.400 -6.685 1.00 0.00 N ATOM 1370 CA GLU A 90 82.563 -1.228 -8.164 1.00 0.00 C ATOM 1371 C GLU A 90 82.054 0.160 -8.563 1.00 0.00 C ATOM 1372 O GLU A 90 81.281 0.775 -7.855 1.00 0.00 O ATOM 1373 CB GLU A 90 81.661 -2.318 -8.745 1.00 0.00 C ATOM 1374 CG GLU A 90 82.456 -3.157 -9.749 1.00 0.00 C ATOM 1375 CD GLU A 90 82.349 -2.527 -11.138 1.00 0.00 C ATOM 1376 OE1 GLU A 90 82.381 -1.310 -11.220 1.00 0.00 O ATOM 1377 OE2 GLU A 90 82.237 -3.272 -12.097 1.00 0.00 O ATOM 0 H GLU A 90 81.786 -0.806 -6.222 1.00 0.00 H new ATOM 0 HA GLU A 90 83.587 -1.310 -8.530 1.00 0.00 H new ATOM 0 HB2 GLU A 90 81.279 -2.953 -7.946 1.00 0.00 H new ATOM 0 HB3 GLU A 90 80.797 -1.868 -9.234 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.501 -3.215 -9.444 1.00 0.00 H new ATOM 0 HG3 GLU A 90 82.073 -4.177 -9.770 1.00 0.00 H new ATOM 1384 N LYS A 91 82.484 0.660 -9.689 1.00 0.00 N ATOM 1385 CA LYS A 91 82.026 2.010 -10.128 1.00 0.00 C ATOM 1386 C LYS A 91 80.867 1.883 -11.121 1.00 0.00 C ATOM 1387 O LYS A 91 81.067 1.541 -12.269 1.00 0.00 O ATOM 1388 CB LYS A 91 83.242 2.643 -10.803 1.00 0.00 C ATOM 1389 CG LYS A 91 84.457 2.527 -9.881 1.00 0.00 C ATOM 1390 CD LYS A 91 85.679 3.138 -10.569 1.00 0.00 C ATOM 1391 CE LYS A 91 86.625 2.022 -11.019 1.00 0.00 C ATOM 1392 NZ LYS A 91 85.844 1.234 -12.012 1.00 0.00 N ATOM 0 H LYS A 91 83.132 0.193 -10.324 1.00 0.00 H new ATOM 0 HA LYS A 91 81.663 2.611 -9.294 1.00 0.00 H new ATOM 0 HB2 LYS A 91 83.444 2.146 -11.752 1.00 0.00 H new ATOM 0 HB3 LYS A 91 83.042 3.691 -11.028 1.00 0.00 H new ATOM 0 HG2 LYS A 91 84.262 3.040 -8.939 1.00 0.00 H new ATOM 0 HG3 LYS A 91 84.646 1.481 -9.641 1.00 0.00 H new ATOM 0 HD2 LYS A 91 85.366 3.732 -11.428 1.00 0.00 H new ATOM 0 HD3 LYS A 91 86.195 3.812 -9.885 1.00 0.00 H new ATOM 0 HE2 LYS A 91 87.533 2.429 -11.464 1.00 0.00 H new ATOM 0 HE3 LYS A 91 86.933 1.402 -10.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 86.487 0.618 -12.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 85.140 0.651 -11.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 85.359 1.882 -12.665 1.00 0.00 H new ATOM 1406 N PRO A 92 79.687 2.168 -10.640 1.00 0.00 N ATOM 1407 CA PRO A 92 78.476 2.089 -11.491 1.00 0.00 C ATOM 1408 C PRO A 92 78.438 3.262 -12.474 1.00 0.00 C ATOM 1409 O PRO A 92 79.394 4.000 -12.612 1.00 0.00 O ATOM 1410 CB PRO A 92 77.328 2.183 -10.490 1.00 0.00 C ATOM 1411 CG PRO A 92 77.901 2.899 -9.308 1.00 0.00 C ATOM 1412 CD PRO A 92 79.375 2.587 -9.269 1.00 0.00 C ATOM 0 HA PRO A 92 78.435 1.183 -12.096 1.00 0.00 H new ATOM 0 HB2 PRO A 92 76.482 2.728 -10.910 1.00 0.00 H new ATOM 0 HB3 PRO A 92 76.964 1.194 -10.213 1.00 0.00 H new ATOM 0 HG2 PRO A 92 77.737 3.973 -9.393 1.00 0.00 H new ATOM 0 HG3 PRO A 92 77.415 2.574 -8.388 1.00 0.00 H new ATOM 0 HD2 PRO A 92 79.960 3.459 -8.976 1.00 0.00 H new ATOM 0 HD3 PRO A 92 79.597 1.798 -8.550 1.00 0.00 H new ATOM 1420 N LYS A 93 77.341 3.440 -13.158 1.00 0.00 N ATOM 1421 CA LYS A 93 77.244 4.566 -14.131 1.00 0.00 C ATOM 1422 C LYS A 93 78.419 4.523 -15.111 1.00 0.00 C ATOM 1423 O LYS A 93 79.173 3.571 -15.150 1.00 0.00 O ATOM 1424 CB LYS A 93 77.305 5.834 -13.277 1.00 0.00 C ATOM 1425 CG LYS A 93 75.905 6.173 -12.763 1.00 0.00 C ATOM 1426 CD LYS A 93 76.004 7.261 -11.691 1.00 0.00 C ATOM 1427 CE LYS A 93 74.811 7.152 -10.739 1.00 0.00 C ATOM 1428 NZ LYS A 93 74.110 8.462 -10.850 1.00 0.00 N ATOM 0 H LYS A 93 76.508 2.855 -13.086 1.00 0.00 H new ATOM 0 HA LYS A 93 76.333 4.518 -14.727 1.00 0.00 H new ATOM 0 HB2 LYS A 93 77.986 5.688 -12.438 1.00 0.00 H new ATOM 0 HB3 LYS A 93 77.698 6.663 -13.866 1.00 0.00 H new ATOM 0 HG2 LYS A 93 75.277 6.514 -13.586 1.00 0.00 H new ATOM 0 HG3 LYS A 93 75.432 5.282 -12.349 1.00 0.00 H new ATOM 0 HD2 LYS A 93 76.936 7.155 -11.136 1.00 0.00 H new ATOM 0 HD3 LYS A 93 76.021 8.246 -12.158 1.00 0.00 H new ATOM 0 HE2 LYS A 93 74.155 6.328 -11.020 1.00 0.00 H new ATOM 0 HE3 LYS A 93 75.138 6.964 -9.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 73.279 8.465 -10.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 74.757 9.227 -10.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 73.805 8.610 -11.833 1.00 0.00 H new ATOM 1442 N GLY A 94 78.581 5.548 -15.904 1.00 0.00 N ATOM 1443 CA GLY A 94 79.706 5.565 -16.880 1.00 0.00 C ATOM 1444 C GLY A 94 79.217 5.056 -18.236 1.00 0.00 C ATOM 1445 O GLY A 94 79.177 5.785 -19.206 1.00 0.00 O ATOM 0 H GLY A 94 77.982 6.374 -15.917 1.00 0.00 H new ATOM 0 HA2 GLY A 94 80.098 6.577 -16.980 1.00 0.00 H new ATOM 0 HA3 GLY A 94 80.523 4.941 -16.519 1.00 0.00 H new ATOM 1449 N ARG A 95 78.846 3.806 -18.312 1.00 0.00 N ATOM 1450 CA ARG A 95 78.360 3.251 -19.608 1.00 0.00 C ATOM 1451 C ARG A 95 76.978 3.818 -19.942 1.00 0.00 C ATOM 1452 O ARG A 95 75.992 3.486 -19.317 1.00 0.00 O ATOM 1453 CB ARG A 95 78.281 1.740 -19.386 1.00 0.00 C ATOM 1454 CG ARG A 95 79.657 1.116 -19.625 1.00 0.00 C ATOM 1455 CD ARG A 95 79.487 -0.310 -20.151 1.00 0.00 C ATOM 1456 NE ARG A 95 78.588 -0.977 -19.169 1.00 0.00 N ATOM 1457 CZ ARG A 95 79.012 -2.009 -18.491 1.00 0.00 C ATOM 1458 NH1 ARG A 95 79.158 -3.163 -19.083 1.00 0.00 N ATOM 1459 NH2 ARG A 95 79.291 -1.885 -17.222 1.00 0.00 N ATOM 0 H ARG A 95 78.858 3.146 -17.534 1.00 0.00 H new ATOM 0 HA ARG A 95 79.017 3.507 -20.439 1.00 0.00 H new ATOM 0 HB2 ARG A 95 77.945 1.528 -18.371 1.00 0.00 H new ATOM 0 HB3 ARG A 95 77.548 1.300 -20.062 1.00 0.00 H new ATOM 0 HG2 ARG A 95 80.220 1.714 -20.341 1.00 0.00 H new ATOM 0 HG3 ARG A 95 80.230 1.107 -18.698 1.00 0.00 H new ATOM 0 HD2 ARG A 95 79.052 -0.313 -21.150 1.00 0.00 H new ATOM 0 HD3 ARG A 95 80.446 -0.823 -20.220 1.00 0.00 H new ATOM 0 HE ARG A 95 77.640 -0.627 -19.026 1.00 0.00 H new ATOM 0 HH11 ARG A 95 78.941 -3.258 -20.075 1.00 0.00 H new ATOM 0 HH12 ARG A 95 79.489 -3.969 -18.554 1.00 0.00 H new ATOM 0 HH21 ARG A 95 79.178 -0.982 -16.761 1.00 0.00 H new ATOM 0 HH22 ARG A 95 79.622 -2.691 -16.692 1.00 0.00 H new ATOM 1473 N ASP A 96 76.900 4.673 -20.927 1.00 0.00 N ATOM 1474 CA ASP A 96 75.580 5.260 -21.300 1.00 0.00 C ATOM 1475 C ASP A 96 75.488 5.427 -22.820 1.00 0.00 C ATOM 1476 O ASP A 96 76.069 6.328 -23.392 1.00 0.00 O ATOM 1477 CB ASP A 96 75.544 6.623 -20.608 1.00 0.00 C ATOM 1478 CG ASP A 96 75.434 6.426 -19.095 1.00 0.00 C ATOM 1479 OD1 ASP A 96 74.402 5.947 -18.655 1.00 0.00 O ATOM 1480 OD2 ASP A 96 76.382 6.757 -18.404 1.00 0.00 O ATOM 0 H ASP A 96 77.691 4.990 -21.488 1.00 0.00 H new ATOM 0 HA ASP A 96 74.745 4.627 -20.998 1.00 0.00 H new ATOM 0 HB2 ASP A 96 76.445 7.188 -20.847 1.00 0.00 H new ATOM 0 HB3 ASP A 96 74.697 7.205 -20.972 1.00 0.00 H new ATOM 1485 N GLY A 97 74.759 4.565 -23.476 1.00 0.00 N ATOM 1486 CA GLY A 97 74.630 4.676 -24.957 1.00 0.00 C ATOM 1487 C GLY A 97 75.203 3.420 -25.616 1.00 0.00 C ATOM 1488 O GLY A 97 74.514 2.703 -26.314 1.00 0.00 O ATOM 0 H GLY A 97 74.248 3.791 -23.052 1.00 0.00 H new ATOM 0 HA2 GLY A 97 73.583 4.799 -25.233 1.00 0.00 H new ATOM 0 HA3 GLY A 97 75.159 5.560 -25.313 1.00 0.00 H new ATOM 1492 N THR A 98 76.461 3.147 -25.401 1.00 0.00 N ATOM 1493 CA THR A 98 77.078 1.935 -26.017 1.00 0.00 C ATOM 1494 C THR A 98 77.820 1.114 -24.957 1.00 0.00 C ATOM 1495 O THR A 98 77.242 0.276 -24.294 1.00 0.00 O ATOM 1496 CB THR A 98 78.050 2.456 -27.076 1.00 0.00 C ATOM 1497 OG1 THR A 98 79.068 1.490 -27.294 1.00 0.00 O ATOM 1498 CG2 THR A 98 78.686 3.775 -26.623 1.00 0.00 C ATOM 0 H THR A 98 77.089 3.709 -24.826 1.00 0.00 H new ATOM 0 HA THR A 98 76.326 1.279 -26.455 1.00 0.00 H new ATOM 0 HB THR A 98 77.501 2.634 -28.001 1.00 0.00 H new ATOM 0 HG1 THR A 98 79.692 1.820 -27.974 1.00 0.00 H new ATOM 0 HG21 THR A 98 79.374 4.129 -27.390 1.00 0.00 H new ATOM 0 HG22 THR A 98 77.906 4.519 -26.464 1.00 0.00 H new ATOM 0 HG23 THR A 98 79.231 3.616 -25.692 1.00 0.00 H new ATOM 1506 N ARG A 99 79.093 1.348 -24.790 1.00 0.00 N ATOM 1507 CA ARG A 99 79.864 0.578 -23.771 1.00 0.00 C ATOM 1508 C ARG A 99 81.339 0.985 -23.806 1.00 0.00 C ATOM 1509 O ARG A 99 81.778 1.693 -24.691 1.00 0.00 O ATOM 1510 CB ARG A 99 79.702 -0.887 -24.177 1.00 0.00 C ATOM 1511 CG ARG A 99 79.958 -1.033 -25.678 1.00 0.00 C ATOM 1512 CD ARG A 99 80.562 -2.410 -25.963 1.00 0.00 C ATOM 1513 NE ARG A 99 80.646 -2.494 -27.447 1.00 0.00 N ATOM 1514 CZ ARG A 99 80.329 -3.603 -28.056 1.00 0.00 C ATOM 1515 NH1 ARG A 99 79.183 -4.178 -27.812 1.00 0.00 N ATOM 1516 NH2 ARG A 99 81.158 -4.138 -28.910 1.00 0.00 N ATOM 0 H ARG A 99 79.632 2.038 -25.314 1.00 0.00 H new ATOM 0 HA ARG A 99 79.508 0.762 -22.757 1.00 0.00 H new ATOM 0 HB2 ARG A 99 80.399 -1.510 -23.616 1.00 0.00 H new ATOM 0 HB3 ARG A 99 78.698 -1.234 -23.933 1.00 0.00 H new ATOM 0 HG2 ARG A 99 79.026 -0.912 -26.230 1.00 0.00 H new ATOM 0 HG3 ARG A 99 80.635 -0.250 -26.020 1.00 0.00 H new ATOM 0 HD2 ARG A 99 81.546 -2.512 -25.506 1.00 0.00 H new ATOM 0 HD3 ARG A 99 79.938 -3.206 -25.557 1.00 0.00 H new ATOM 0 HE ARG A 99 80.951 -1.685 -27.987 1.00 0.00 H new ATOM 0 HH11 ARG A 99 78.535 -3.760 -27.145 1.00 0.00 H new ATOM 0 HH12 ARG A 99 78.936 -5.045 -28.289 1.00 0.00 H new ATOM 0 HH21 ARG A 99 82.054 -3.689 -29.101 1.00 0.00 H new ATOM 0 HH22 ARG A 99 80.910 -5.005 -29.386 1.00 0.00 H new ATOM 1530 N GLY A 100 82.109 0.544 -22.849 1.00 0.00 N ATOM 1531 CA GLY A 100 83.554 0.906 -22.827 1.00 0.00 C ATOM 1532 C GLY A 100 83.703 2.407 -22.575 1.00 0.00 C ATOM 1533 O GLY A 100 82.889 3.196 -23.011 1.00 0.00 O ATOM 0 H GLY A 100 81.799 -0.052 -22.081 1.00 0.00 H new ATOM 0 HA2 GLY A 100 84.068 0.343 -22.048 1.00 0.00 H new ATOM 0 HA3 GLY A 100 84.021 0.638 -23.775 1.00 0.00 H new ATOM 1537 N CYS A 101 84.737 2.797 -21.874 1.00 0.00 N ATOM 1538 CA CYS A 101 84.962 4.247 -21.578 1.00 0.00 C ATOM 1539 C CYS A 101 83.630 4.978 -21.379 1.00 0.00 C ATOM 1540 O CYS A 101 83.566 6.152 -21.707 1.00 0.00 O ATOM 1541 CB CYS A 101 85.712 4.795 -22.798 1.00 0.00 C ATOM 1542 SG CYS A 101 84.573 4.986 -24.193 1.00 0.00 S ATOM 1543 OXT CYS A 101 82.698 4.351 -20.904 1.00 0.00 O ATOM 0 H CYS A 101 85.442 2.168 -21.490 1.00 0.00 H new ATOM 0 HA CYS A 101 85.528 4.390 -20.657 1.00 0.00 H new ATOM 0 HB2 CYS A 101 86.166 5.756 -22.555 1.00 0.00 H new ATOM 0 HB3 CYS A 101 86.523 4.119 -23.070 1.00 0.00 H new ATOM 0 HG CYS A 101 83.513 4.261 -23.990 1.00 0.00 H new TER 1549 CYS A 101