USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 753 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 38 SER OG : rot -115:sc= 1.7 USER MOD Set 1.2: A 85 GLN : amide:sc= -0.553 K(o=1.2,f=-1.2) USER MOD Set 2.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 67 SER OG : rot 180:sc=-0.00456 USER MOD Set 3.1: A 13 TYR OH : rot -5:sc= -0.139 USER MOD Set 3.2: A 20 HIS : no HD1:sc= -2.69 K(o=-2.8,f=-6.6!) USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.206 (180deg=0) USER MOD Single : A 2 HIS : no HE2:sc= -0.0869 K(o=-0.087,f=-0.71) USER MOD Single : A 3 MET CE :methyl -136:sc= 0 (180deg=-0.0589) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0024 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot -130:sc= -0.725 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.225 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -50:sc= 1.03 USER MOD Single : A 21 THR OG1 : rot -8:sc= 0.404 USER MOD Single : A 23 TYR OH : rot 180:sc=-0.00306 USER MOD Single : A 27 SER OG : rot -0:sc= 0.509 USER MOD Single : A 28 SER OG : rot -170:sc= 0.0447 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.195 X(o=-0.19,f=-0.18) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0.0163 X(o=0.016,f=-0.41) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.168 X(o=-0.17,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.0406 X(o=-0.041,f=-0.024) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 157:sc= 1.25 USER MOD Single : A 71 ASN : amide:sc= -1.38 K(o=-1.4,f=-4.6!) USER MOD Single : A 74 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00204) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 169:sc= 1.22 (180deg=1.2) USER MOD Single : A 88 SER OG : rot 122:sc= 0.374 USER MOD Single : A 90 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0313) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= 0.423 K(o=0.42,f=-0.74) USER MOD Single : A 101 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00513) USER MOD Single : A 102 THR OG1 : rot 53:sc= 0.226 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -40.910 7.726 -6.872 1.00 0.00 N ATOM 2 CA GLY A 1 -39.720 7.867 -7.730 1.00 0.00 C ATOM 3 C GLY A 1 -39.097 6.500 -7.951 1.00 0.00 C ATOM 4 O GLY A 1 -39.468 5.567 -7.245 1.00 0.00 O ATOM 0 H1 GLY A 1 -41.766 7.905 -7.434 1.00 0.00 H new ATOM 0 H2 GLY A 1 -40.946 6.762 -6.484 1.00 0.00 H new ATOM 0 H3 GLY A 1 -40.858 8.411 -6.092 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -39.997 8.312 -8.686 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -38.998 8.537 -7.263 1.00 0.00 H new ATOM 8 N HIS A 2 -38.188 6.368 -8.916 1.00 0.00 N ATOM 9 CA HIS A 2 -37.427 5.150 -9.179 1.00 0.00 C ATOM 10 C HIS A 2 -36.068 5.578 -9.750 1.00 0.00 C ATOM 11 O HIS A 2 -35.880 6.766 -10.019 1.00 0.00 O ATOM 12 CB HIS A 2 -38.210 4.250 -10.152 1.00 0.00 C ATOM 13 CG HIS A 2 -37.815 2.799 -10.060 1.00 0.00 C ATOM 14 ND1 HIS A 2 -36.941 2.124 -10.885 1.00 0.00 N ATOM 15 CD2 HIS A 2 -38.246 1.916 -9.105 1.00 0.00 C ATOM 16 CE1 HIS A 2 -36.846 0.863 -10.430 1.00 0.00 C ATOM 17 NE2 HIS A 2 -37.620 0.694 -9.348 1.00 0.00 N ATOM 0 H HIS A 2 -37.955 7.129 -9.554 1.00 0.00 H new ATOM 0 HA HIS A 2 -37.268 4.568 -8.271 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -39.276 4.344 -9.947 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -38.049 4.601 -11.172 1.00 0.00 H new ATOM 0 HD1 HIS A 2 -36.455 2.511 -11.694 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -38.944 2.128 -8.309 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -36.232 0.093 -10.874 1.00 0.00 H new ATOM 25 N MET A 3 -35.133 4.646 -9.932 1.00 0.00 N ATOM 26 CA MET A 3 -33.833 4.858 -10.573 1.00 0.00 C ATOM 27 C MET A 3 -33.352 3.516 -11.143 1.00 0.00 C ATOM 28 O MET A 3 -34.130 2.562 -11.167 1.00 0.00 O ATOM 29 CB MET A 3 -32.849 5.525 -9.591 1.00 0.00 C ATOM 30 CG MET A 3 -32.556 4.721 -8.314 1.00 0.00 C ATOM 31 SD MET A 3 -32.022 5.743 -6.910 1.00 0.00 S ATOM 32 CE MET A 3 -33.615 6.471 -6.428 1.00 0.00 C ATOM 0 H MET A 3 -35.265 3.682 -9.625 1.00 0.00 H new ATOM 0 HA MET A 3 -33.909 5.554 -11.408 1.00 0.00 H new ATOM 0 HB2 MET A 3 -31.908 5.707 -10.111 1.00 0.00 H new ATOM 0 HB3 MET A 3 -33.249 6.498 -9.305 1.00 0.00 H new ATOM 0 HG2 MET A 3 -33.452 4.169 -8.030 1.00 0.00 H new ATOM 0 HG3 MET A 3 -31.783 3.984 -8.530 1.00 0.00 H new ATOM 0 HE1 MET A 3 -33.484 7.535 -6.229 1.00 0.00 H new ATOM 0 HE2 MET A 3 -34.335 6.339 -7.236 1.00 0.00 H new ATOM 0 HE3 MET A 3 -33.984 5.977 -5.529 1.00 0.00 H new ATOM 42 N GLY A 4 -32.120 3.427 -11.639 1.00 0.00 N ATOM 43 CA GLY A 4 -31.603 2.232 -12.288 1.00 0.00 C ATOM 44 C GLY A 4 -30.175 2.536 -12.696 1.00 0.00 C ATOM 45 O GLY A 4 -29.937 3.027 -13.803 1.00 0.00 O ATOM 0 H GLY A 4 -31.448 4.193 -11.599 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -31.638 1.379 -11.611 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.207 1.973 -13.158 1.00 0.00 H new ATOM 49 N SER A 5 -29.247 2.354 -11.759 1.00 0.00 N ATOM 50 CA SER A 5 -27.984 3.074 -11.790 1.00 0.00 C ATOM 51 C SER A 5 -26.801 2.133 -11.513 1.00 0.00 C ATOM 52 O SER A 5 -26.994 1.058 -10.927 1.00 0.00 O ATOM 53 CB SER A 5 -28.078 4.246 -10.798 1.00 0.00 C ATOM 54 OG SER A 5 -29.288 4.975 -11.007 1.00 0.00 O ATOM 0 H SER A 5 -29.349 1.714 -10.971 1.00 0.00 H new ATOM 0 HA SER A 5 -27.796 3.480 -12.784 1.00 0.00 H new ATOM 0 HB2 SER A 5 -28.044 3.870 -9.776 1.00 0.00 H new ATOM 0 HB3 SER A 5 -27.221 4.907 -10.923 1.00 0.00 H new ATOM 0 HG SER A 5 -29.337 5.717 -10.369 1.00 0.00 H new ATOM 60 N PRO A 6 -25.586 2.493 -11.957 1.00 0.00 N ATOM 61 CA PRO A 6 -24.352 1.783 -11.641 1.00 0.00 C ATOM 62 C PRO A 6 -23.856 2.126 -10.227 1.00 0.00 C ATOM 63 O PRO A 6 -24.552 2.776 -9.449 1.00 0.00 O ATOM 64 CB PRO A 6 -23.375 2.215 -12.740 1.00 0.00 C ATOM 65 CG PRO A 6 -23.820 3.625 -13.089 1.00 0.00 C ATOM 66 CD PRO A 6 -25.325 3.588 -12.879 1.00 0.00 C ATOM 0 HA PRO A 6 -24.476 0.700 -11.626 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -22.344 2.197 -12.388 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -23.428 1.554 -13.605 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -23.344 4.366 -12.447 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -23.565 3.883 -14.117 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -25.683 4.533 -12.471 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -25.845 3.432 -13.824 1.00 0.00 H new ATOM 74 N VAL A 7 -22.658 1.654 -9.883 1.00 0.00 N ATOM 75 CA VAL A 7 -21.916 2.039 -8.692 1.00 0.00 C ATOM 76 C VAL A 7 -21.095 3.288 -9.017 1.00 0.00 C ATOM 77 O VAL A 7 -20.691 3.515 -10.160 1.00 0.00 O ATOM 78 CB VAL A 7 -21.066 0.832 -8.229 1.00 0.00 C ATOM 79 CG1 VAL A 7 -19.974 0.439 -9.233 1.00 0.00 C ATOM 80 CG2 VAL A 7 -20.445 1.015 -6.839 1.00 0.00 C ATOM 0 H VAL A 7 -22.162 0.967 -10.451 1.00 0.00 H new ATOM 0 HA VAL A 7 -22.571 2.298 -7.860 1.00 0.00 H new ATOM 0 HB VAL A 7 -21.786 0.016 -8.169 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -19.415 -0.414 -8.847 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -20.434 0.171 -10.184 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -19.297 1.280 -9.381 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -19.864 0.130 -6.581 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -19.793 1.889 -6.844 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -21.236 1.157 -6.103 1.00 0.00 H new ATOM 90 N SER A 8 -20.758 4.045 -7.980 1.00 0.00 N ATOM 91 CA SER A 8 -19.724 5.061 -8.012 1.00 0.00 C ATOM 92 C SER A 8 -18.628 4.555 -7.094 1.00 0.00 C ATOM 93 O SER A 8 -18.774 4.610 -5.870 1.00 0.00 O ATOM 94 CB SER A 8 -20.277 6.408 -7.547 1.00 0.00 C ATOM 95 OG SER A 8 -21.181 6.934 -8.497 1.00 0.00 O ATOM 0 H SER A 8 -21.212 3.963 -7.070 1.00 0.00 H new ATOM 0 HA SER A 8 -19.343 5.227 -9.020 1.00 0.00 H new ATOM 0 HB2 SER A 8 -20.780 6.288 -6.587 1.00 0.00 H new ATOM 0 HB3 SER A 8 -19.457 7.109 -7.392 1.00 0.00 H new ATOM 0 HG SER A 8 -21.525 7.795 -8.180 1.00 0.00 H new ATOM 101 N TYR A 9 -17.576 3.970 -7.661 1.00 0.00 N ATOM 102 CA TYR A 9 -16.334 3.836 -6.922 1.00 0.00 C ATOM 103 C TYR A 9 -15.673 5.209 -6.863 1.00 0.00 C ATOM 104 O TYR A 9 -15.857 6.050 -7.745 1.00 0.00 O ATOM 105 CB TYR A 9 -15.400 2.791 -7.543 1.00 0.00 C ATOM 106 CG TYR A 9 -15.619 1.379 -7.042 1.00 0.00 C ATOM 107 CD1 TYR A 9 -16.866 0.755 -7.209 1.00 0.00 C ATOM 108 CD2 TYR A 9 -14.581 0.690 -6.390 1.00 0.00 C ATOM 109 CE1 TYR A 9 -17.092 -0.543 -6.727 1.00 0.00 C ATOM 110 CE2 TYR A 9 -14.807 -0.598 -5.881 1.00 0.00 C ATOM 111 CZ TYR A 9 -16.065 -1.216 -6.031 1.00 0.00 C ATOM 112 OH TYR A 9 -16.322 -2.368 -5.360 1.00 0.00 O ATOM 0 H TYR A 9 -17.561 3.591 -8.608 1.00 0.00 H new ATOM 0 HA TYR A 9 -16.549 3.478 -5.915 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -15.529 2.804 -8.625 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.368 3.079 -7.342 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -17.662 1.281 -7.715 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -13.611 1.152 -6.281 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -18.046 -1.024 -6.887 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -14.011 -1.120 -5.370 1.00 0.00 H new ATOM 0 HH TYR A 9 -15.964 -2.303 -4.450 1.00 0.00 H new ATOM 122 N TYR A 10 -14.884 5.394 -5.819 1.00 0.00 N ATOM 123 CA TYR A 10 -14.051 6.534 -5.535 1.00 0.00 C ATOM 124 C TYR A 10 -12.686 5.933 -5.268 1.00 0.00 C ATOM 125 O TYR A 10 -12.551 5.074 -4.391 1.00 0.00 O ATOM 126 CB TYR A 10 -14.606 7.324 -4.350 1.00 0.00 C ATOM 127 CG TYR A 10 -15.936 7.972 -4.672 1.00 0.00 C ATOM 128 CD1 TYR A 10 -15.954 9.243 -5.273 1.00 0.00 C ATOM 129 CD2 TYR A 10 -17.136 7.256 -4.496 1.00 0.00 C ATOM 130 CE1 TYR A 10 -17.166 9.785 -5.730 1.00 0.00 C ATOM 131 CE2 TYR A 10 -18.357 7.787 -4.949 1.00 0.00 C ATOM 132 CZ TYR A 10 -18.368 9.056 -5.586 1.00 0.00 C ATOM 133 OH TYR A 10 -19.515 9.577 -6.107 1.00 0.00 O ATOM 0 H TYR A 10 -14.808 4.685 -5.090 1.00 0.00 H new ATOM 0 HA TYR A 10 -14.007 7.258 -6.349 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -14.725 6.659 -3.495 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -13.890 8.092 -4.059 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -15.036 9.802 -5.383 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -17.118 6.292 -4.010 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -17.180 10.761 -6.192 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -19.276 7.236 -4.814 1.00 0.00 H new ATOM 0 HH TYR A 10 -20.261 8.965 -5.933 1.00 0.00 H new ATOM 143 N PHE A 11 -11.721 6.273 -6.111 1.00 0.00 N ATOM 144 CA PHE A 11 -10.402 5.666 -6.147 1.00 0.00 C ATOM 145 C PHE A 11 -9.375 6.730 -6.540 1.00 0.00 C ATOM 146 O PHE A 11 -8.571 6.533 -7.453 1.00 0.00 O ATOM 147 CB PHE A 11 -10.435 4.422 -7.063 1.00 0.00 C ATOM 148 CG PHE A 11 -11.231 4.489 -8.365 1.00 0.00 C ATOM 149 CD1 PHE A 11 -11.103 5.559 -9.274 1.00 0.00 C ATOM 150 CD2 PHE A 11 -12.117 3.440 -8.679 1.00 0.00 C ATOM 151 CE1 PHE A 11 -11.835 5.575 -10.474 1.00 0.00 C ATOM 152 CE2 PHE A 11 -12.880 3.474 -9.858 1.00 0.00 C ATOM 153 CZ PHE A 11 -12.728 4.533 -10.768 1.00 0.00 C ATOM 0 H PHE A 11 -11.841 7.004 -6.812 1.00 0.00 H new ATOM 0 HA PHE A 11 -10.095 5.300 -5.167 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -9.405 4.172 -7.318 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -10.829 3.591 -6.478 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -10.435 6.376 -9.046 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -12.211 2.600 -8.006 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -11.710 6.391 -11.171 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.586 2.683 -10.065 1.00 0.00 H new ATOM 0 HZ PHE A 11 -13.294 4.545 -11.688 1.00 0.00 H new ATOM 163 N SER A 12 -9.449 7.906 -5.916 1.00 0.00 N ATOM 164 CA SER A 12 -8.550 9.022 -6.169 1.00 0.00 C ATOM 165 C SER A 12 -8.466 9.925 -4.932 1.00 0.00 C ATOM 166 O SER A 12 -9.055 9.613 -3.895 1.00 0.00 O ATOM 167 CB SER A 12 -9.041 9.803 -7.383 1.00 0.00 C ATOM 168 OG SER A 12 -9.253 8.955 -8.502 1.00 0.00 O ATOM 0 H SER A 12 -10.152 8.109 -5.206 1.00 0.00 H new ATOM 0 HA SER A 12 -7.549 8.644 -6.377 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.970 10.316 -7.134 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.312 10.571 -7.641 1.00 0.00 H new ATOM 0 HG SER A 12 -9.569 9.488 -9.261 1.00 0.00 H new ATOM 174 N TYR A 13 -7.702 11.017 -5.019 1.00 0.00 N ATOM 175 CA TYR A 13 -7.694 12.067 -4.014 1.00 0.00 C ATOM 176 C TYR A 13 -8.985 12.904 -4.130 1.00 0.00 C ATOM 177 O TYR A 13 -9.921 12.550 -4.855 1.00 0.00 O ATOM 178 CB TYR A 13 -6.395 12.889 -4.140 1.00 0.00 C ATOM 179 CG TYR A 13 -5.165 12.239 -3.548 1.00 0.00 C ATOM 180 CD1 TYR A 13 -4.432 11.295 -4.291 1.00 0.00 C ATOM 181 CD2 TYR A 13 -4.755 12.591 -2.249 1.00 0.00 C ATOM 182 CE1 TYR A 13 -3.331 10.644 -3.708 1.00 0.00 C ATOM 183 CE2 TYR A 13 -3.648 11.954 -1.667 1.00 0.00 C ATOM 184 CZ TYR A 13 -2.960 10.950 -2.379 1.00 0.00 C ATOM 185 OH TYR A 13 -1.972 10.261 -1.762 1.00 0.00 O ATOM 0 H TYR A 13 -7.068 11.193 -5.799 1.00 0.00 H new ATOM 0 HA TYR A 13 -7.694 11.648 -3.008 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.210 13.087 -5.196 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.546 13.854 -3.656 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.715 11.071 -5.309 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.292 13.351 -1.700 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.771 9.913 -4.273 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.324 12.232 -0.675 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.674 9.528 -2.340 1.00 0.00 H new ATOM 195 N ALA A 14 -9.032 14.017 -3.400 1.00 0.00 N ATOM 196 CA ALA A 14 -10.168 14.913 -3.255 1.00 0.00 C ATOM 197 C ALA A 14 -9.764 16.338 -3.679 1.00 0.00 C ATOM 198 O ALA A 14 -10.045 17.310 -2.971 1.00 0.00 O ATOM 199 CB ALA A 14 -10.625 14.815 -1.792 1.00 0.00 C ATOM 0 H ALA A 14 -8.225 14.333 -2.862 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.002 14.639 -3.901 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.480 15.473 -1.633 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.911 13.787 -1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.809 15.115 -1.135 1.00 0.00 H new ATOM 205 N ASP A 15 -8.978 16.456 -4.752 1.00 0.00 N ATOM 206 CA ASP A 15 -8.191 17.657 -5.067 1.00 0.00 C ATOM 207 C ASP A 15 -7.825 17.827 -6.548 1.00 0.00 C ATOM 208 O ASP A 15 -7.180 18.821 -6.900 1.00 0.00 O ATOM 209 CB ASP A 15 -6.908 17.657 -4.225 1.00 0.00 C ATOM 210 CG ASP A 15 -6.020 16.431 -4.440 1.00 0.00 C ATOM 211 OD1 ASP A 15 -6.047 15.793 -5.520 1.00 0.00 O ATOM 212 OD2 ASP A 15 -5.342 16.071 -3.451 1.00 0.00 O ATOM 0 H ASP A 15 -8.867 15.710 -5.439 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.836 18.502 -4.826 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.334 18.554 -4.458 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.178 17.716 -3.171 1.00 0.00 H new ATOM 217 N GLY A 16 -8.216 16.891 -7.414 1.00 0.00 N ATOM 218 CA GLY A 16 -8.026 16.931 -8.855 1.00 0.00 C ATOM 219 C GLY A 16 -6.915 16.021 -9.396 1.00 0.00 C ATOM 220 O GLY A 16 -6.811 15.918 -10.622 1.00 0.00 O ATOM 0 H GLY A 16 -8.697 16.045 -7.109 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.965 16.656 -9.336 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.806 17.958 -9.148 1.00 0.00 H new ATOM 224 N GLY A 17 -6.097 15.372 -8.555 1.00 0.00 N ATOM 225 CA GLY A 17 -5.006 14.490 -8.982 1.00 0.00 C ATOM 226 C GLY A 17 -5.159 13.036 -8.516 1.00 0.00 C ATOM 227 O GLY A 17 -6.050 12.703 -7.729 1.00 0.00 O ATOM 0 H GLY A 17 -6.178 15.448 -7.541 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.944 14.507 -10.070 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.064 14.885 -8.602 1.00 0.00 H new ATOM 231 N THR A 18 -4.257 12.160 -8.978 1.00 0.00 N ATOM 232 CA THR A 18 -4.263 10.714 -8.717 1.00 0.00 C ATOM 233 C THR A 18 -2.852 10.208 -8.381 1.00 0.00 C ATOM 234 O THR A 18 -2.395 9.191 -8.917 1.00 0.00 O ATOM 235 CB THR A 18 -4.877 9.945 -9.907 1.00 0.00 C ATOM 236 OG1 THR A 18 -4.275 10.303 -11.137 1.00 0.00 O ATOM 237 CG2 THR A 18 -6.380 10.153 -10.013 1.00 0.00 C ATOM 0 H THR A 18 -3.475 12.449 -9.565 1.00 0.00 H new ATOM 0 HA THR A 18 -4.890 10.527 -7.845 1.00 0.00 H new ATOM 0 HB THR A 18 -4.681 8.891 -9.708 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.690 9.794 -11.865 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.766 9.592 -10.865 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.861 9.802 -9.100 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.592 11.213 -10.151 1.00 0.00 H new ATOM 245 N SER A 19 -2.111 10.926 -7.536 1.00 0.00 N ATOM 246 CA SER A 19 -0.898 10.438 -6.895 1.00 0.00 C ATOM 247 C SER A 19 -0.480 11.441 -5.817 1.00 0.00 C ATOM 248 O SER A 19 -0.911 12.597 -5.853 1.00 0.00 O ATOM 249 CB SER A 19 0.229 10.294 -7.929 1.00 0.00 C ATOM 250 OG SER A 19 0.970 9.098 -7.738 1.00 0.00 O ATOM 0 H SER A 19 -2.346 11.884 -7.275 1.00 0.00 H new ATOM 0 HA SER A 19 -1.087 9.461 -6.450 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.196 10.302 -8.933 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.898 11.151 -7.859 1.00 0.00 H new ATOM 0 HG SER A 19 1.244 9.029 -6.800 1.00 0.00 H new ATOM 256 N HIS A 20 0.422 11.011 -4.933 1.00 0.00 N ATOM 257 CA HIS A 20 1.168 11.862 -4.024 1.00 0.00 C ATOM 258 C HIS A 20 2.622 11.872 -4.481 1.00 0.00 C ATOM 259 O HIS A 20 3.152 10.847 -4.927 1.00 0.00 O ATOM 260 CB HIS A 20 1.033 11.426 -2.549 1.00 0.00 C ATOM 261 CG HIS A 20 0.980 9.961 -2.139 1.00 0.00 C ATOM 262 ND1 HIS A 20 0.849 8.839 -2.930 1.00 0.00 N ATOM 263 CD2 HIS A 20 0.871 9.536 -0.839 1.00 0.00 C ATOM 264 CE1 HIS A 20 0.632 7.785 -2.130 1.00 0.00 C ATOM 265 NE2 HIS A 20 0.697 8.143 -0.838 1.00 0.00 N ATOM 0 H HIS A 20 0.657 10.023 -4.832 1.00 0.00 H new ATOM 0 HA HIS A 20 0.756 12.870 -4.058 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.871 11.872 -2.012 1.00 0.00 H new ATOM 0 HB3 HIS A 20 0.125 11.892 -2.166 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.912 10.167 0.036 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.432 6.783 -2.478 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.633 7.531 -0.025 1.00 0.00 H new ATOM 273 N THR A 21 3.281 13.022 -4.407 1.00 0.00 N ATOM 274 CA THR A 21 4.726 13.120 -4.481 1.00 0.00 C ATOM 275 C THR A 21 5.127 14.292 -3.596 1.00 0.00 C ATOM 276 O THR A 21 4.391 15.278 -3.520 1.00 0.00 O ATOM 277 CB THR A 21 5.207 13.305 -5.933 1.00 0.00 C ATOM 278 OG1 THR A 21 4.673 12.274 -6.753 1.00 0.00 O ATOM 279 CG2 THR A 21 6.739 13.272 -6.046 1.00 0.00 C ATOM 0 H THR A 21 2.816 13.923 -4.292 1.00 0.00 H new ATOM 0 HA THR A 21 5.197 12.200 -4.134 1.00 0.00 H new ATOM 0 HB THR A 21 4.858 14.284 -6.263 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.225 11.608 -6.191 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.030 13.406 -7.088 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.166 14.074 -5.444 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.110 12.312 -5.687 1.00 0.00 H new ATOM 287 N GLU A 22 6.285 14.215 -2.955 1.00 0.00 N ATOM 288 CA GLU A 22 6.842 15.316 -2.204 1.00 0.00 C ATOM 289 C GLU A 22 8.342 15.401 -2.405 1.00 0.00 C ATOM 290 O GLU A 22 9.006 14.415 -2.748 1.00 0.00 O ATOM 291 CB GLU A 22 6.473 15.176 -0.730 1.00 0.00 C ATOM 292 CG GLU A 22 6.856 13.863 -0.054 1.00 0.00 C ATOM 293 CD GLU A 22 6.247 13.873 1.342 1.00 0.00 C ATOM 294 OE1 GLU A 22 5.033 13.571 1.428 1.00 0.00 O ATOM 295 OE2 GLU A 22 6.961 14.247 2.299 1.00 0.00 O ATOM 0 H GLU A 22 6.865 13.376 -2.946 1.00 0.00 H new ATOM 0 HA GLU A 22 6.418 16.251 -2.571 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.944 15.992 -0.182 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.395 15.307 -0.634 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.485 13.014 -0.628 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.940 13.762 0.001 1.00 0.00 H new ATOM 302 N TYR A 23 8.858 16.602 -2.156 1.00 0.00 N ATOM 303 CA TYR A 23 10.246 16.969 -2.352 1.00 0.00 C ATOM 304 C TYR A 23 10.717 17.703 -1.083 1.00 0.00 C ATOM 305 O TYR A 23 10.934 18.916 -1.139 1.00 0.00 O ATOM 306 CB TYR A 23 10.339 17.813 -3.634 1.00 0.00 C ATOM 307 CG TYR A 23 9.830 17.114 -4.883 1.00 0.00 C ATOM 308 CD1 TYR A 23 8.466 17.169 -5.235 1.00 0.00 C ATOM 309 CD2 TYR A 23 10.723 16.375 -5.675 1.00 0.00 C ATOM 310 CE1 TYR A 23 7.998 16.502 -6.378 1.00 0.00 C ATOM 311 CE2 TYR A 23 10.262 15.694 -6.812 1.00 0.00 C ATOM 312 CZ TYR A 23 8.898 15.764 -7.175 1.00 0.00 C ATOM 313 OH TYR A 23 8.461 15.131 -8.303 1.00 0.00 O ATOM 0 H TYR A 23 8.293 17.372 -1.798 1.00 0.00 H new ATOM 0 HA TYR A 23 10.903 16.111 -2.492 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.772 18.733 -3.491 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.379 18.100 -3.791 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.776 17.728 -4.621 1.00 0.00 H new ATOM 0 HD2 TYR A 23 11.769 16.330 -5.408 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.953 16.554 -6.646 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.950 15.116 -7.410 1.00 0.00 H new ATOM 0 HH TYR A 23 9.213 14.671 -8.732 1.00 0.00 H new ATOM 323 N PRO A 24 10.792 17.011 0.073 1.00 0.00 N ATOM 324 CA PRO A 24 11.195 17.594 1.352 1.00 0.00 C ATOM 325 C PRO A 24 12.656 18.059 1.333 1.00 0.00 C ATOM 326 O PRO A 24 13.393 17.821 0.368 1.00 0.00 O ATOM 327 CB PRO A 24 10.977 16.486 2.393 1.00 0.00 C ATOM 328 CG PRO A 24 11.084 15.214 1.584 1.00 0.00 C ATOM 329 CD PRO A 24 10.474 15.601 0.250 1.00 0.00 C ATOM 0 HA PRO A 24 10.611 18.485 1.580 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.728 16.524 3.182 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.003 16.574 2.875 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.120 14.892 1.475 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.542 14.392 2.052 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.888 15.000 -0.560 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.396 15.438 0.249 1.00 0.00 H new ATOM 337 N ASP A 25 13.091 18.693 2.422 1.00 0.00 N ATOM 338 CA ASP A 25 14.466 19.120 2.618 1.00 0.00 C ATOM 339 C ASP A 25 15.056 18.444 3.850 1.00 0.00 C ATOM 340 O ASP A 25 14.478 17.506 4.403 1.00 0.00 O ATOM 341 CB ASP A 25 14.571 20.650 2.662 1.00 0.00 C ATOM 342 CG ASP A 25 15.743 21.106 1.800 1.00 0.00 C ATOM 343 OD1 ASP A 25 15.534 21.189 0.573 1.00 0.00 O ATOM 344 OD2 ASP A 25 16.856 21.383 2.307 1.00 0.00 O ATOM 0 H ASP A 25 12.481 18.926 3.205 1.00 0.00 H new ATOM 0 HA ASP A 25 15.064 18.804 1.763 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.645 21.099 2.302 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.710 20.986 3.690 1.00 0.00 H new ATOM 349 N ASP A 26 16.250 18.880 4.240 1.00 0.00 N ATOM 350 CA ASP A 26 17.205 18.220 5.135 1.00 0.00 C ATOM 351 C ASP A 26 16.766 18.126 6.598 1.00 0.00 C ATOM 352 O ASP A 26 17.579 17.871 7.485 1.00 0.00 O ATOM 353 CB ASP A 26 18.515 18.997 5.021 1.00 0.00 C ATOM 354 CG ASP A 26 19.739 18.159 5.371 1.00 0.00 C ATOM 355 OD1 ASP A 26 19.890 17.037 4.841 1.00 0.00 O ATOM 356 OD2 ASP A 26 20.667 18.719 5.995 1.00 0.00 O ATOM 0 H ASP A 26 16.607 19.778 3.913 1.00 0.00 H new ATOM 0 HA ASP A 26 17.298 17.180 4.821 1.00 0.00 H new ATOM 0 HB2 ASP A 26 18.619 19.375 4.004 1.00 0.00 H new ATOM 0 HB3 ASP A 26 18.475 19.864 5.680 1.00 0.00 H new ATOM 361 N SER A 27 15.498 18.416 6.881 1.00 0.00 N ATOM 362 CA SER A 27 14.841 18.211 8.172 1.00 0.00 C ATOM 363 C SER A 27 13.325 17.940 8.059 1.00 0.00 C ATOM 364 O SER A 27 12.643 17.904 9.084 1.00 0.00 O ATOM 365 CB SER A 27 15.095 19.440 9.059 1.00 0.00 C ATOM 366 OG SER A 27 16.485 19.650 9.241 1.00 0.00 O ATOM 0 H SER A 27 14.871 18.819 6.185 1.00 0.00 H new ATOM 0 HA SER A 27 15.272 17.314 8.616 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.646 20.322 8.603 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.614 19.301 10.027 1.00 0.00 H new ATOM 0 HG SER A 27 16.986 18.958 8.761 1.00 0.00 H new ATOM 372 N SER A 28 12.753 17.797 6.859 1.00 0.00 N ATOM 373 CA SER A 28 11.303 17.819 6.675 1.00 0.00 C ATOM 374 C SER A 28 10.701 16.402 6.663 1.00 0.00 C ATOM 375 O SER A 28 10.521 15.808 5.598 1.00 0.00 O ATOM 376 CB SER A 28 10.964 18.558 5.383 1.00 0.00 C ATOM 377 OG SER A 28 11.711 19.745 5.192 1.00 0.00 O ATOM 0 H SER A 28 13.280 17.664 5.996 1.00 0.00 H new ATOM 0 HA SER A 28 10.862 18.344 7.522 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.136 17.891 4.538 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.902 18.804 5.384 1.00 0.00 H new ATOM 0 HG SER A 28 11.340 20.247 4.437 1.00 0.00 H new ATOM 383 N ALA A 29 10.367 15.856 7.834 1.00 0.00 N ATOM 384 CA ALA A 29 9.826 14.499 7.961 1.00 0.00 C ATOM 385 C ALA A 29 8.800 14.379 9.099 1.00 0.00 C ATOM 386 O ALA A 29 8.838 15.152 10.065 1.00 0.00 O ATOM 387 CB ALA A 29 10.991 13.524 8.178 1.00 0.00 C ATOM 0 H ALA A 29 10.464 16.343 8.725 1.00 0.00 H new ATOM 0 HA ALA A 29 9.294 14.254 7.042 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.604 12.510 8.274 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.670 13.574 7.327 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.528 13.795 9.087 1.00 0.00 H new ATOM 393 N GLY A 30 7.925 13.365 9.056 1.00 0.00 N ATOM 394 CA GLY A 30 7.173 12.898 10.212 1.00 0.00 C ATOM 395 C GLY A 30 6.018 12.009 9.770 1.00 0.00 C ATOM 396 O GLY A 30 6.141 11.282 8.779 1.00 0.00 O ATOM 0 H GLY A 30 7.722 12.844 8.203 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.831 12.344 10.882 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.790 13.750 10.773 1.00 0.00 H new ATOM 400 N SER A 31 4.923 12.018 10.534 1.00 0.00 N ATOM 401 CA SER A 31 3.730 11.227 10.277 1.00 0.00 C ATOM 402 C SER A 31 2.505 12.142 10.191 1.00 0.00 C ATOM 403 O SER A 31 2.109 12.744 11.191 1.00 0.00 O ATOM 404 CB SER A 31 3.546 10.161 11.371 1.00 0.00 C ATOM 405 OG SER A 31 4.770 9.563 11.781 1.00 0.00 O ATOM 0 H SER A 31 4.846 12.595 11.372 1.00 0.00 H new ATOM 0 HA SER A 31 3.844 10.712 9.323 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.064 10.617 12.236 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.875 9.385 11.004 1.00 0.00 H new ATOM 0 HG SER A 31 4.591 8.897 12.477 1.00 0.00 H new ATOM 411 N PHE A 32 1.884 12.257 9.015 1.00 0.00 N ATOM 412 CA PHE A 32 0.656 13.035 8.801 1.00 0.00 C ATOM 413 C PHE A 32 -0.533 12.167 8.359 1.00 0.00 C ATOM 414 O PHE A 32 -0.533 10.946 8.542 1.00 0.00 O ATOM 415 CB PHE A 32 0.931 14.257 7.912 1.00 0.00 C ATOM 416 CG PHE A 32 1.568 13.987 6.565 1.00 0.00 C ATOM 417 CD1 PHE A 32 0.813 13.538 5.458 1.00 0.00 C ATOM 418 CD2 PHE A 32 2.934 14.276 6.405 1.00 0.00 C ATOM 419 CE1 PHE A 32 1.418 13.434 4.193 1.00 0.00 C ATOM 420 CE2 PHE A 32 3.518 14.212 5.133 1.00 0.00 C ATOM 421 CZ PHE A 32 2.754 13.827 4.022 1.00 0.00 C ATOM 0 H PHE A 32 2.225 11.804 8.167 1.00 0.00 H new ATOM 0 HA PHE A 32 0.334 13.434 9.763 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.013 14.776 7.744 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.577 14.941 8.463 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.227 13.275 5.583 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.533 14.547 7.262 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.855 13.052 3.354 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.562 14.460 5.008 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.194 13.833 3.036 1.00 0.00 H new ATOM 431 N ILE A 33 -1.599 12.815 7.883 1.00 0.00 N ATOM 432 CA ILE A 33 -2.841 12.248 7.370 1.00 0.00 C ATOM 433 C ILE A 33 -3.130 12.958 6.032 1.00 0.00 C ATOM 434 O ILE A 33 -2.624 14.058 5.785 1.00 0.00 O ATOM 435 CB ILE A 33 -3.965 12.414 8.434 1.00 0.00 C ATOM 436 CG1 ILE A 33 -3.534 11.704 9.743 1.00 0.00 C ATOM 437 CG2 ILE A 33 -5.320 11.902 7.908 1.00 0.00 C ATOM 438 CD1 ILE A 33 -4.595 11.551 10.840 1.00 0.00 C ATOM 0 H ILE A 33 -1.613 13.834 7.845 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.776 11.176 7.182 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.108 13.473 8.647 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.170 10.710 9.484 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.691 12.252 10.163 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.082 12.033 8.677 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.601 12.465 7.018 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.237 10.845 7.657 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.160 11.038 11.698 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.947 12.536 11.146 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.433 10.970 10.457 1.00 0.00 H new ATOM 450 N LEU A 34 -3.915 12.314 5.165 1.00 0.00 N ATOM 451 CA LEU A 34 -4.325 12.784 3.842 1.00 0.00 C ATOM 452 C LEU A 34 -5.837 12.619 3.709 1.00 0.00 C ATOM 453 O LEU A 34 -6.461 11.970 4.552 1.00 0.00 O ATOM 454 CB LEU A 34 -3.617 11.951 2.757 1.00 0.00 C ATOM 455 CG LEU A 34 -2.100 12.178 2.678 1.00 0.00 C ATOM 456 CD1 LEU A 34 -1.463 11.107 1.793 1.00 0.00 C ATOM 457 CD2 LEU A 34 -1.787 13.574 2.139 1.00 0.00 C ATOM 0 H LEU A 34 -4.304 11.396 5.382 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.054 13.833 3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.805 10.894 2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.059 12.186 1.789 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.682 12.104 3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.387 11.272 1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.659 10.122 2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.889 11.163 0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.707 13.712 2.092 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.211 13.682 1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.220 14.325 2.800 1.00 0.00 H new ATOM 469 N ASP A 35 -6.432 13.132 2.630 1.00 0.00 N ATOM 470 CA ASP A 35 -7.888 13.180 2.420 1.00 0.00 C ATOM 471 C ASP A 35 -8.320 12.336 1.219 1.00 0.00 C ATOM 472 O ASP A 35 -9.301 12.644 0.538 1.00 0.00 O ATOM 473 CB ASP A 35 -8.374 14.640 2.368 1.00 0.00 C ATOM 474 CG ASP A 35 -8.466 15.208 3.781 1.00 0.00 C ATOM 475 OD1 ASP A 35 -9.269 14.653 4.571 1.00 0.00 O ATOM 476 OD2 ASP A 35 -7.684 16.124 4.112 1.00 0.00 O ATOM 0 H ASP A 35 -5.905 13.537 1.856 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.383 12.719 3.275 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.688 15.240 1.770 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.348 14.691 1.882 1.00 0.00 H new ATOM 481 N ILE A 36 -7.584 11.249 0.977 1.00 0.00 N ATOM 482 CA ILE A 36 -7.805 10.255 -0.071 1.00 0.00 C ATOM 483 C ILE A 36 -9.241 9.732 -0.001 1.00 0.00 C ATOM 484 O ILE A 36 -9.802 9.583 1.090 1.00 0.00 O ATOM 485 CB ILE A 36 -6.783 9.108 0.111 1.00 0.00 C ATOM 486 CG1 ILE A 36 -5.332 9.614 -0.034 1.00 0.00 C ATOM 487 CG2 ILE A 36 -6.987 7.947 -0.881 1.00 0.00 C ATOM 488 CD1 ILE A 36 -4.390 8.837 0.881 1.00 0.00 C ATOM 0 H ILE A 36 -6.766 11.027 1.545 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.664 10.705 -1.054 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.956 8.735 1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.008 9.509 -1.069 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.287 10.676 0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.238 7.177 -0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.982 7.524 -0.746 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.886 8.318 -1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.374 9.212 0.760 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.703 8.964 1.917 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.419 7.779 0.620 1.00 0.00 H new ATOM 500 N THR A 37 -9.796 9.384 -1.159 1.00 0.00 N ATOM 501 CA THR A 37 -11.115 8.809 -1.316 1.00 0.00 C ATOM 502 C THR A 37 -10.947 7.364 -1.818 1.00 0.00 C ATOM 503 O THR A 37 -10.387 7.115 -2.889 1.00 0.00 O ATOM 504 CB THR A 37 -11.962 9.692 -2.257 1.00 0.00 C ATOM 505 OG1 THR A 37 -11.684 11.077 -2.122 1.00 0.00 O ATOM 506 CG2 THR A 37 -13.438 9.540 -1.903 1.00 0.00 C ATOM 0 H THR A 37 -9.311 9.503 -2.049 1.00 0.00 H new ATOM 0 HA THR A 37 -11.655 8.774 -0.370 1.00 0.00 H new ATOM 0 HB THR A 37 -11.721 9.364 -3.268 1.00 0.00 H new ATOM 0 HG1 THR A 37 -12.247 11.586 -2.742 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.037 10.163 -2.567 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.734 8.497 -2.018 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.598 9.851 -0.871 1.00 0.00 H new ATOM 514 N SER A 38 -11.394 6.390 -1.020 1.00 0.00 N ATOM 515 CA SER A 38 -11.338 4.972 -1.352 1.00 0.00 C ATOM 516 C SER A 38 -12.625 4.315 -0.852 1.00 0.00 C ATOM 517 O SER A 38 -12.656 3.748 0.241 1.00 0.00 O ATOM 518 CB SER A 38 -10.067 4.344 -0.765 1.00 0.00 C ATOM 519 OG SER A 38 -9.938 2.993 -1.172 1.00 0.00 O ATOM 0 H SER A 38 -11.812 6.574 -0.108 1.00 0.00 H new ATOM 0 HA SER A 38 -11.278 4.818 -2.429 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.194 4.911 -1.088 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.098 4.399 0.323 1.00 0.00 H new ATOM 0 HG SER A 38 -10.013 2.407 -0.390 1.00 0.00 H new ATOM 525 N TYR A 39 -13.715 4.406 -1.617 1.00 0.00 N ATOM 526 CA TYR A 39 -14.958 3.719 -1.270 1.00 0.00 C ATOM 527 C TYR A 39 -15.801 3.431 -2.514 1.00 0.00 C ATOM 528 O TYR A 39 -15.523 3.957 -3.585 1.00 0.00 O ATOM 529 CB TYR A 39 -15.753 4.502 -0.204 1.00 0.00 C ATOM 530 CG TYR A 39 -16.200 5.913 -0.533 1.00 0.00 C ATOM 531 CD1 TYR A 39 -17.465 6.148 -1.107 1.00 0.00 C ATOM 532 CD2 TYR A 39 -15.408 7.000 -0.122 1.00 0.00 C ATOM 533 CE1 TYR A 39 -17.934 7.470 -1.274 1.00 0.00 C ATOM 534 CE2 TYR A 39 -15.887 8.311 -0.244 1.00 0.00 C ATOM 535 CZ TYR A 39 -17.135 8.559 -0.845 1.00 0.00 C ATOM 536 OH TYR A 39 -17.567 9.844 -0.986 1.00 0.00 O ATOM 0 H TYR A 39 -13.761 4.948 -2.480 1.00 0.00 H new ATOM 0 HA TYR A 39 -14.695 2.757 -0.831 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -16.642 3.921 0.042 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -15.143 4.548 0.698 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -18.078 5.315 -1.420 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -14.425 6.823 0.290 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -18.898 7.650 -1.727 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -15.295 9.136 0.125 1.00 0.00 H new ATOM 0 HH TYR A 39 -16.888 10.458 -0.635 1.00 0.00 H new ATOM 546 N LYS A 40 -16.854 2.619 -2.386 1.00 0.00 N ATOM 547 CA LYS A 40 -17.840 2.340 -3.424 1.00 0.00 C ATOM 548 C LYS A 40 -19.204 2.703 -2.877 1.00 0.00 C ATOM 549 O LYS A 40 -19.541 2.297 -1.761 1.00 0.00 O ATOM 550 CB LYS A 40 -17.732 0.892 -3.926 1.00 0.00 C ATOM 551 CG LYS A 40 -18.133 -0.251 -2.970 1.00 0.00 C ATOM 552 CD LYS A 40 -19.503 -0.879 -3.301 1.00 0.00 C ATOM 553 CE LYS A 40 -19.431 -1.998 -4.365 1.00 0.00 C ATOM 554 NZ LYS A 40 -19.490 -3.356 -3.776 1.00 0.00 N ATOM 0 H LYS A 40 -17.047 2.119 -1.518 1.00 0.00 H new ATOM 0 HA LYS A 40 -17.656 2.947 -4.310 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.346 0.805 -4.822 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -16.699 0.723 -4.230 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -17.369 -1.027 -3.004 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.154 0.131 -1.949 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.937 -1.285 -2.387 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.176 -0.097 -3.653 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -20.254 -1.877 -5.069 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -18.507 -1.893 -4.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -19.438 -4.066 -4.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -18.690 -3.487 -3.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -20.383 -3.470 -3.256 1.00 0.00 H new ATOM 568 N LYS A 41 -19.984 3.485 -3.614 1.00 0.00 N ATOM 569 CA LYS A 41 -21.271 4.020 -3.200 1.00 0.00 C ATOM 570 C LYS A 41 -22.307 3.465 -4.153 1.00 0.00 C ATOM 571 O LYS A 41 -22.077 3.501 -5.360 1.00 0.00 O ATOM 572 CB LYS A 41 -21.169 5.540 -3.285 1.00 0.00 C ATOM 573 CG LYS A 41 -22.391 6.278 -2.741 1.00 0.00 C ATOM 574 CD LYS A 41 -22.094 7.780 -2.777 1.00 0.00 C ATOM 575 CE LYS A 41 -23.120 8.542 -1.947 1.00 0.00 C ATOM 576 NZ LYS A 41 -22.742 9.959 -1.821 1.00 0.00 N ATOM 0 H LYS A 41 -19.723 3.775 -4.557 1.00 0.00 H new ATOM 0 HA LYS A 41 -21.551 3.746 -2.183 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -20.286 5.866 -2.735 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -21.019 5.826 -4.326 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -23.272 6.050 -3.341 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -22.607 5.957 -1.722 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.092 7.969 -2.392 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -22.112 8.137 -3.807 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -24.102 8.463 -2.413 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -23.200 8.093 -0.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -23.455 10.459 -1.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -21.815 10.031 -1.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -22.689 10.390 -2.766 1.00 0.00 H new ATOM 590 N THR A 42 -23.370 2.885 -3.605 1.00 0.00 N ATOM 591 CA THR A 42 -24.472 2.321 -4.369 1.00 0.00 C ATOM 592 C THR A 42 -25.604 2.021 -3.389 1.00 0.00 C ATOM 593 O THR A 42 -25.353 1.698 -2.220 1.00 0.00 O ATOM 594 CB THR A 42 -24.007 1.120 -5.237 1.00 0.00 C ATOM 595 OG1 THR A 42 -25.071 0.469 -5.904 1.00 0.00 O ATOM 596 CG2 THR A 42 -23.220 0.048 -4.478 1.00 0.00 C ATOM 0 H THR A 42 -23.490 2.793 -2.596 1.00 0.00 H new ATOM 0 HA THR A 42 -24.855 3.027 -5.106 1.00 0.00 H new ATOM 0 HB THR A 42 -23.343 1.598 -5.957 1.00 0.00 H new ATOM 0 HG1 THR A 42 -24.718 -0.275 -6.435 1.00 0.00 H new ATOM 0 HG21 THR A 42 -22.937 -0.750 -5.164 1.00 0.00 H new ATOM 0 HG22 THR A 42 -22.322 0.492 -4.048 1.00 0.00 H new ATOM 0 HG23 THR A 42 -23.840 -0.362 -3.680 1.00 0.00 H new ATOM 604 N GLY A 43 -26.847 2.130 -3.857 1.00 0.00 N ATOM 605 CA GLY A 43 -28.056 2.049 -3.059 1.00 0.00 C ATOM 606 C GLY A 43 -27.991 3.045 -1.909 1.00 0.00 C ATOM 607 O GLY A 43 -28.072 4.254 -2.118 1.00 0.00 O ATOM 0 H GLY A 43 -27.040 2.284 -4.847 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -28.926 2.256 -3.681 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -28.177 1.038 -2.669 1.00 0.00 H new ATOM 611 N ASN A 44 -27.795 2.546 -0.693 1.00 0.00 N ATOM 612 CA ASN A 44 -27.887 3.301 0.550 1.00 0.00 C ATOM 613 C ASN A 44 -26.711 2.950 1.467 1.00 0.00 C ATOM 614 O ASN A 44 -26.842 2.979 2.693 1.00 0.00 O ATOM 615 CB ASN A 44 -29.258 3.016 1.191 1.00 0.00 C ATOM 616 CG ASN A 44 -29.577 3.965 2.338 1.00 0.00 C ATOM 617 OD1 ASN A 44 -29.748 3.537 3.476 1.00 0.00 O ATOM 618 ND2 ASN A 44 -29.696 5.253 2.053 1.00 0.00 N ATOM 0 H ASN A 44 -27.558 1.565 -0.541 1.00 0.00 H new ATOM 0 HA ASN A 44 -27.819 4.373 0.364 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -30.034 3.097 0.430 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -29.277 1.990 1.558 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -29.936 5.918 2.788 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -29.548 5.580 1.098 1.00 0.00 H new ATOM 625 N SER A 45 -25.566 2.553 0.898 1.00 0.00 N ATOM 626 CA SER A 45 -24.372 2.216 1.654 1.00 0.00 C ATOM 627 C SER A 45 -23.112 2.677 0.928 1.00 0.00 C ATOM 628 O SER A 45 -23.058 2.750 -0.306 1.00 0.00 O ATOM 629 CB SER A 45 -24.308 0.703 1.881 1.00 0.00 C ATOM 630 OG SER A 45 -25.447 0.175 2.543 1.00 0.00 O ATOM 0 H SER A 45 -25.450 2.459 -0.111 1.00 0.00 H new ATOM 0 HA SER A 45 -24.424 2.730 2.614 1.00 0.00 H new ATOM 0 HB2 SER A 45 -24.195 0.205 0.918 1.00 0.00 H new ATOM 0 HB3 SER A 45 -23.418 0.470 2.466 1.00 0.00 H new ATOM 0 HG SER A 45 -25.341 -0.793 2.654 1.00 0.00 H new ATOM 636 N THR A 46 -22.045 2.836 1.702 1.00 0.00 N ATOM 637 CA THR A 46 -20.687 3.049 1.259 1.00 0.00 C ATOM 638 C THR A 46 -19.855 1.937 1.900 1.00 0.00 C ATOM 639 O THR A 46 -19.901 1.718 3.117 1.00 0.00 O ATOM 640 CB THR A 46 -20.195 4.467 1.608 1.00 0.00 C ATOM 641 OG1 THR A 46 -20.475 4.811 2.947 1.00 0.00 O ATOM 642 CG2 THR A 46 -20.826 5.520 0.693 1.00 0.00 C ATOM 0 H THR A 46 -22.118 2.817 2.719 1.00 0.00 H new ATOM 0 HA THR A 46 -20.599 2.997 0.174 1.00 0.00 H new ATOM 0 HB THR A 46 -19.115 4.454 1.463 1.00 0.00 H new ATOM 0 HG1 THR A 46 -20.146 5.716 3.128 1.00 0.00 H new ATOM 0 HG21 THR A 46 -20.457 6.508 0.967 1.00 0.00 H new ATOM 0 HG22 THR A 46 -20.561 5.308 -0.343 1.00 0.00 H new ATOM 0 HG23 THR A 46 -21.910 5.494 0.802 1.00 0.00 H new ATOM 650 N LYS A 47 -19.142 1.184 1.071 1.00 0.00 N ATOM 651 CA LYS A 47 -18.089 0.268 1.497 1.00 0.00 C ATOM 652 C LYS A 47 -16.793 1.034 1.294 1.00 0.00 C ATOM 653 O LYS A 47 -16.514 1.396 0.150 1.00 0.00 O ATOM 654 CB LYS A 47 -18.108 -1.032 0.656 1.00 0.00 C ATOM 655 CG LYS A 47 -17.950 -2.316 1.487 1.00 0.00 C ATOM 656 CD LYS A 47 -19.292 -2.906 1.941 1.00 0.00 C ATOM 657 CE LYS A 47 -19.896 -2.084 3.075 1.00 0.00 C ATOM 658 NZ LYS A 47 -21.303 -2.432 3.338 1.00 0.00 N ATOM 0 H LYS A 47 -19.283 1.193 0.061 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.217 -0.045 2.533 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -19.047 -1.082 0.104 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -17.306 -0.988 -0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.413 -3.060 0.898 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -17.339 -2.102 2.364 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -19.984 -2.934 1.099 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.148 -3.935 2.270 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -19.312 -2.238 3.982 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -19.827 -1.025 2.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -21.666 -1.846 4.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -21.869 -2.260 2.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -21.369 -3.436 3.601 1.00 0.00 H new ATOM 672 N ALA A 48 -16.057 1.344 2.358 1.00 0.00 N ATOM 673 CA ALA A 48 -14.673 1.769 2.226 1.00 0.00 C ATOM 674 C ALA A 48 -13.919 0.607 1.597 1.00 0.00 C ATOM 675 O ALA A 48 -14.067 -0.525 2.062 1.00 0.00 O ATOM 676 CB ALA A 48 -14.075 2.127 3.589 1.00 0.00 C ATOM 0 H ALA A 48 -16.398 1.308 3.318 1.00 0.00 H new ATOM 0 HA ALA A 48 -14.601 2.664 1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.039 2.441 3.461 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.648 2.939 4.036 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.111 1.255 4.242 1.00 0.00 H new ATOM 682 N LEU A 49 -13.145 0.869 0.546 1.00 0.00 N ATOM 683 CA LEU A 49 -12.198 -0.112 0.058 1.00 0.00 C ATOM 684 C LEU A 49 -10.931 0.091 0.852 1.00 0.00 C ATOM 685 O LEU A 49 -10.321 1.160 0.774 1.00 0.00 O ATOM 686 CB LEU A 49 -11.890 0.025 -1.434 1.00 0.00 C ATOM 687 CG LEU A 49 -12.981 -0.411 -2.417 1.00 0.00 C ATOM 688 CD1 LEU A 49 -13.884 -1.553 -1.934 1.00 0.00 C ATOM 689 CD2 LEU A 49 -13.843 0.789 -2.774 1.00 0.00 C ATOM 0 H LEU A 49 -13.159 1.746 0.025 1.00 0.00 H new ATOM 0 HA LEU A 49 -12.625 -1.107 0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.652 1.069 -1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.992 -0.554 -1.648 1.00 0.00 H new ATOM 0 HG LEU A 49 -12.449 -0.806 -3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -14.621 -1.784 -2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -13.278 -2.437 -1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -14.396 -1.251 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -14.621 0.483 -3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -14.304 1.188 -1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -13.223 1.558 -3.235 1.00 0.00 H new ATOM 701 N SER A 50 -10.545 -0.941 1.584 1.00 0.00 N ATOM 702 CA SER A 50 -9.214 -1.053 2.136 1.00 0.00 C ATOM 703 C SER A 50 -8.200 -1.239 0.998 1.00 0.00 C ATOM 704 O SER A 50 -8.555 -1.468 -0.166 1.00 0.00 O ATOM 705 CB SER A 50 -9.205 -2.225 3.119 1.00 0.00 C ATOM 706 OG SER A 50 -9.915 -1.876 4.297 1.00 0.00 O ATOM 0 H SER A 50 -11.154 -1.727 1.811 1.00 0.00 H new ATOM 0 HA SER A 50 -8.929 -0.148 2.673 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.659 -3.101 2.657 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.178 -2.493 3.369 1.00 0.00 H new ATOM 0 HG SER A 50 -9.906 -2.632 4.920 1.00 0.00 H new ATOM 712 N TRP A 51 -6.922 -1.118 1.339 1.00 0.00 N ATOM 713 CA TRP A 51 -5.784 -1.378 0.475 1.00 0.00 C ATOM 714 C TRP A 51 -4.628 -1.848 1.349 1.00 0.00 C ATOM 715 O TRP A 51 -4.719 -1.821 2.578 1.00 0.00 O ATOM 716 CB TRP A 51 -5.414 -0.108 -0.317 1.00 0.00 C ATOM 717 CG TRP A 51 -4.992 1.103 0.465 1.00 0.00 C ATOM 718 CD1 TRP A 51 -3.716 1.467 0.732 1.00 0.00 C ATOM 719 CD2 TRP A 51 -5.828 2.151 1.044 1.00 0.00 C ATOM 720 NE1 TRP A 51 -3.710 2.678 1.396 1.00 0.00 N ATOM 721 CE2 TRP A 51 -4.984 3.151 1.608 1.00 0.00 C ATOM 722 CE3 TRP A 51 -7.217 2.367 1.140 1.00 0.00 C ATOM 723 CZ2 TRP A 51 -5.492 4.319 2.198 1.00 0.00 C ATOM 724 CZ3 TRP A 51 -7.740 3.512 1.771 1.00 0.00 C ATOM 725 CH2 TRP A 51 -6.881 4.496 2.290 1.00 0.00 C ATOM 0 H TRP A 51 -6.641 -0.821 2.273 1.00 0.00 H new ATOM 0 HA TRP A 51 -6.024 -2.151 -0.255 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -4.606 -0.363 -1.002 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.274 0.169 -0.927 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -2.837 0.898 0.467 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -2.863 3.163 1.693 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -7.895 1.639 0.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -4.820 5.074 2.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -8.810 3.635 1.857 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -7.287 5.382 2.756 1.00 0.00 H new ATOM 736 N ASN A 52 -3.521 -2.225 0.721 1.00 0.00 N ATOM 737 CA ASN A 52 -2.217 -2.320 1.359 1.00 0.00 C ATOM 738 C ASN A 52 -1.217 -1.613 0.450 1.00 0.00 C ATOM 739 O ASN A 52 -1.577 -1.238 -0.673 1.00 0.00 O ATOM 740 CB ASN A 52 -1.842 -3.785 1.613 1.00 0.00 C ATOM 741 CG ASN A 52 -1.111 -3.902 2.937 1.00 0.00 C ATOM 742 OD1 ASN A 52 0.104 -3.755 3.011 1.00 0.00 O ATOM 743 ND2 ASN A 52 -1.858 -4.112 4.009 1.00 0.00 N ATOM 0 H ASN A 52 -3.506 -2.478 -0.267 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.221 -1.840 2.337 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.739 -4.403 1.626 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.212 -4.155 0.804 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.425 -4.156 4.932 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.867 -4.230 3.913 1.00 0.00 H new ATOM 750 N ALA A 53 0.008 -1.405 0.922 1.00 0.00 N ATOM 751 CA ALA A 53 1.044 -0.672 0.213 1.00 0.00 C ATOM 752 C ALA A 53 2.381 -1.375 0.427 1.00 0.00 C ATOM 753 O ALA A 53 2.601 -1.972 1.483 1.00 0.00 O ATOM 754 CB ALA A 53 1.089 0.763 0.734 1.00 0.00 C ATOM 0 H ALA A 53 0.313 -1.752 1.832 1.00 0.00 H new ATOM 0 HA ALA A 53 0.831 -0.644 -0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.864 1.318 0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.124 1.241 0.568 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.311 0.756 1.801 1.00 0.00 H new ATOM 760 N SER A 54 3.304 -1.263 -0.525 1.00 0.00 N ATOM 761 CA SER A 54 4.552 -2.016 -0.498 1.00 0.00 C ATOM 762 C SER A 54 5.591 -1.327 -1.378 1.00 0.00 C ATOM 763 O SER A 54 5.255 -0.786 -2.435 1.00 0.00 O ATOM 764 CB SER A 54 4.287 -3.465 -0.944 1.00 0.00 C ATOM 765 OG SER A 54 3.424 -3.548 -2.070 1.00 0.00 O ATOM 0 H SER A 54 3.207 -0.649 -1.334 1.00 0.00 H new ATOM 0 HA SER A 54 4.950 -2.046 0.516 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.236 -3.945 -1.184 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.849 -4.021 -0.115 1.00 0.00 H new ATOM 0 HG SER A 54 3.291 -4.488 -2.312 1.00 0.00 H new ATOM 771 N GLY A 55 6.846 -1.317 -0.934 1.00 0.00 N ATOM 772 CA GLY A 55 7.947 -0.637 -1.589 1.00 0.00 C ATOM 773 C GLY A 55 9.125 -0.582 -0.630 1.00 0.00 C ATOM 774 O GLY A 55 9.762 -1.610 -0.394 1.00 0.00 O ATOM 0 H GLY A 55 7.127 -1.799 -0.080 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.227 -1.163 -2.502 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.649 0.370 -1.880 1.00 0.00 H new ATOM 778 N ASP A 56 9.380 0.591 -0.058 1.00 0.00 N ATOM 779 CA ASP A 56 10.488 0.864 0.857 1.00 0.00 C ATOM 780 C ASP A 56 10.130 0.483 2.304 1.00 0.00 C ATOM 781 O ASP A 56 8.953 0.370 2.666 1.00 0.00 O ATOM 782 CB ASP A 56 10.833 2.363 0.787 1.00 0.00 C ATOM 783 CG ASP A 56 11.859 2.704 -0.295 1.00 0.00 C ATOM 784 OD1 ASP A 56 13.064 2.433 -0.077 1.00 0.00 O ATOM 785 OD2 ASP A 56 11.505 3.316 -1.330 1.00 0.00 O ATOM 0 H ASP A 56 8.798 1.412 -0.225 1.00 0.00 H new ATOM 0 HA ASP A 56 11.345 0.261 0.556 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.920 2.929 0.602 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.217 2.685 1.755 1.00 0.00 H new ATOM 790 N SER A 57 11.155 0.327 3.145 1.00 0.00 N ATOM 791 CA SER A 57 11.060 0.076 4.582 1.00 0.00 C ATOM 792 C SER A 57 10.627 1.328 5.345 1.00 0.00 C ATOM 793 O SER A 57 9.688 1.274 6.133 1.00 0.00 O ATOM 794 CB SER A 57 12.434 -0.339 5.125 1.00 0.00 C ATOM 795 OG SER A 57 12.931 -1.500 4.494 1.00 0.00 O ATOM 0 H SER A 57 12.122 0.375 2.824 1.00 0.00 H new ATOM 0 HA SER A 57 10.320 -0.711 4.724 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.140 0.479 4.984 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.360 -0.515 6.198 1.00 0.00 H new ATOM 0 HG SER A 57 13.808 -1.726 4.869 1.00 0.00 H new ATOM 801 N TRP A 58 11.330 2.440 5.108 1.00 0.00 N ATOM 802 CA TRP A 58 11.324 3.682 5.883 1.00 0.00 C ATOM 803 C TRP A 58 10.037 4.501 5.704 1.00 0.00 C ATOM 804 O TRP A 58 10.027 5.713 5.905 1.00 0.00 O ATOM 805 CB TRP A 58 12.585 4.480 5.499 1.00 0.00 C ATOM 806 CG TRP A 58 12.810 4.726 4.032 1.00 0.00 C ATOM 807 CD1 TRP A 58 13.495 3.907 3.202 1.00 0.00 C ATOM 808 CD2 TRP A 58 12.427 5.881 3.218 1.00 0.00 C ATOM 809 NE1 TRP A 58 13.514 4.446 1.934 1.00 0.00 N ATOM 810 CE2 TRP A 58 12.942 5.696 1.902 1.00 0.00 C ATOM 811 CE3 TRP A 58 11.765 7.103 3.468 1.00 0.00 C ATOM 812 CZ2 TRP A 58 12.835 6.677 0.904 1.00 0.00 C ATOM 813 CZ3 TRP A 58 11.634 8.091 2.473 1.00 0.00 C ATOM 814 CH2 TRP A 58 12.177 7.883 1.194 1.00 0.00 C ATOM 0 H TRP A 58 11.964 2.498 4.311 1.00 0.00 H new ATOM 0 HA TRP A 58 11.342 3.441 6.946 1.00 0.00 H new ATOM 0 HB2 TRP A 58 12.543 5.446 6.003 1.00 0.00 H new ATOM 0 HB3 TRP A 58 13.454 3.953 5.892 1.00 0.00 H new ATOM 0 HD1 TRP A 58 13.956 2.974 3.489 1.00 0.00 H new ATOM 0 HE1 TRP A 58 13.905 3.975 1.118 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.348 7.285 4.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.254 6.506 -0.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 11.114 9.012 2.694 1.00 0.00 H new ATOM 0 HH2 TRP A 58 12.089 8.648 0.437 1.00 0.00 H new ATOM 825 N ILE A 59 8.952 3.868 5.273 1.00 0.00 N ATOM 826 CA ILE A 59 7.688 4.494 4.943 1.00 0.00 C ATOM 827 C ILE A 59 6.618 3.641 5.613 1.00 0.00 C ATOM 828 O ILE A 59 6.704 2.408 5.596 1.00 0.00 O ATOM 829 CB ILE A 59 7.540 4.566 3.409 1.00 0.00 C ATOM 830 CG1 ILE A 59 8.595 5.522 2.803 1.00 0.00 C ATOM 831 CG2 ILE A 59 6.114 4.996 3.039 1.00 0.00 C ATOM 832 CD1 ILE A 59 8.579 5.591 1.274 1.00 0.00 C ATOM 0 H ILE A 59 8.934 2.857 5.140 1.00 0.00 H new ATOM 0 HA ILE A 59 7.607 5.521 5.298 1.00 0.00 H new ATOM 0 HB ILE A 59 7.716 3.576 2.989 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.432 6.523 3.202 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.585 5.206 3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.018 5.044 1.954 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.402 4.272 3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.908 5.978 3.465 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.349 6.283 0.933 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.774 4.600 0.863 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.603 5.939 0.936 1.00 0.00 H new ATOM 844 N HIS A 60 5.601 4.294 6.165 1.00 0.00 N ATOM 845 CA HIS A 60 4.552 3.676 6.952 1.00 0.00 C ATOM 846 C HIS A 60 3.219 4.102 6.355 1.00 0.00 C ATOM 847 O HIS A 60 3.019 5.278 6.047 1.00 0.00 O ATOM 848 CB HIS A 60 4.690 4.113 8.412 1.00 0.00 C ATOM 849 CG HIS A 60 6.049 3.823 9.004 1.00 0.00 C ATOM 850 ND1 HIS A 60 6.371 2.711 9.744 1.00 0.00 N ATOM 851 CD2 HIS A 60 7.177 4.601 8.914 1.00 0.00 C ATOM 852 CE1 HIS A 60 7.644 2.855 10.151 1.00 0.00 C ATOM 853 NE2 HIS A 60 8.188 3.969 9.644 1.00 0.00 N ATOM 0 H HIS A 60 5.485 5.303 6.071 1.00 0.00 H new ATOM 0 HA HIS A 60 4.620 2.588 6.931 1.00 0.00 H new ATOM 0 HB2 HIS A 60 4.493 5.183 8.483 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.929 3.609 9.007 1.00 0.00 H new ATOM 0 HD2 HIS A 60 7.267 5.533 8.376 1.00 0.00 H new ATOM 0 HE1 HIS A 60 8.160 2.164 10.801 1.00 0.00 H new ATOM 0 HE2 HIS A 60 9.148 4.292 9.766 1.00 0.00 H new ATOM 861 N VAL A 61 2.328 3.138 6.142 1.00 0.00 N ATOM 862 CA VAL A 61 1.103 3.333 5.374 1.00 0.00 C ATOM 863 C VAL A 61 -0.008 2.572 6.097 1.00 0.00 C ATOM 864 O VAL A 61 0.025 1.339 6.175 1.00 0.00 O ATOM 865 CB VAL A 61 1.318 2.880 3.909 1.00 0.00 C ATOM 866 CG1 VAL A 61 0.120 3.282 3.047 1.00 0.00 C ATOM 867 CG2 VAL A 61 2.583 3.469 3.258 1.00 0.00 C ATOM 0 H VAL A 61 2.438 2.190 6.502 1.00 0.00 H new ATOM 0 HA VAL A 61 0.817 4.383 5.313 1.00 0.00 H new ATOM 0 HB VAL A 61 1.434 1.797 3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.285 2.957 2.020 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.783 2.811 3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.002 4.365 3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.667 3.107 2.233 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.517 4.557 3.254 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.461 3.160 3.825 1.00 0.00 H new ATOM 877 N ASN A 62 -0.959 3.279 6.708 1.00 0.00 N ATOM 878 CA ASN A 62 -1.982 2.683 7.565 1.00 0.00 C ATOM 879 C ASN A 62 -3.290 3.441 7.382 1.00 0.00 C ATOM 880 O ASN A 62 -3.580 4.367 8.137 1.00 0.00 O ATOM 881 CB ASN A 62 -1.492 2.695 9.034 1.00 0.00 C ATOM 882 CG ASN A 62 -1.252 1.323 9.646 1.00 0.00 C ATOM 883 OD1 ASN A 62 -1.401 1.164 10.855 1.00 0.00 O ATOM 884 ND2 ASN A 62 -0.794 0.339 8.886 1.00 0.00 N ATOM 0 H ASN A 62 -1.041 4.292 6.620 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.161 1.644 7.290 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.565 3.266 9.087 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.227 3.223 9.641 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.561 -0.562 9.304 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.674 0.482 7.883 1.00 0.00 H new ATOM 891 N GLY A 63 -4.093 3.047 6.392 1.00 0.00 N ATOM 892 CA GLY A 63 -5.391 3.638 6.095 1.00 0.00 C ATOM 893 C GLY A 63 -5.307 5.158 6.079 1.00 0.00 C ATOM 894 O GLY A 63 -4.612 5.721 5.231 1.00 0.00 O ATOM 0 H GLY A 63 -3.848 2.286 5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.745 3.280 5.129 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.119 3.318 6.840 1.00 0.00 H new ATOM 898 N SER A 64 -5.954 5.817 7.033 1.00 0.00 N ATOM 899 CA SER A 64 -5.990 7.265 7.196 1.00 0.00 C ATOM 900 C SER A 64 -4.729 7.836 7.873 1.00 0.00 C ATOM 901 O SER A 64 -4.833 8.762 8.670 1.00 0.00 O ATOM 902 CB SER A 64 -7.269 7.630 7.959 1.00 0.00 C ATOM 903 OG SER A 64 -8.394 7.039 7.327 1.00 0.00 O ATOM 0 H SER A 64 -6.494 5.332 7.749 1.00 0.00 H new ATOM 0 HA SER A 64 -6.001 7.726 6.208 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.198 7.286 8.991 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.387 8.713 7.992 1.00 0.00 H new ATOM 0 HG SER A 64 -9.207 7.275 7.820 1.00 0.00 H new ATOM 909 N SER A 65 -3.535 7.303 7.602 1.00 0.00 N ATOM 910 CA SER A 65 -2.285 7.761 8.200 1.00 0.00 C ATOM 911 C SER A 65 -1.126 7.461 7.248 1.00 0.00 C ATOM 912 O SER A 65 -1.224 6.553 6.409 1.00 0.00 O ATOM 913 CB SER A 65 -2.155 7.058 9.555 1.00 0.00 C ATOM 914 OG SER A 65 -0.950 7.327 10.251 1.00 0.00 O ATOM 0 H SER A 65 -3.411 6.529 6.950 1.00 0.00 H new ATOM 0 HA SER A 65 -2.270 8.838 8.364 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.995 7.353 10.184 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.236 5.982 9.400 1.00 0.00 H new ATOM 0 HG SER A 65 -0.949 6.843 11.103 1.00 0.00 H new ATOM 920 N VAL A 66 -0.037 8.226 7.363 1.00 0.00 N ATOM 921 CA VAL A 66 1.135 8.135 6.498 1.00 0.00 C ATOM 922 C VAL A 66 2.346 8.516 7.362 1.00 0.00 C ATOM 923 O VAL A 66 2.203 9.405 8.206 1.00 0.00 O ATOM 924 CB VAL A 66 1.042 9.175 5.350 1.00 0.00 C ATOM 925 CG1 VAL A 66 1.824 8.668 4.136 1.00 0.00 C ATOM 926 CG2 VAL A 66 -0.355 9.654 4.937 1.00 0.00 C ATOM 0 H VAL A 66 0.053 8.945 8.081 1.00 0.00 H new ATOM 0 HA VAL A 66 1.211 7.134 6.074 1.00 0.00 H new ATOM 0 HB VAL A 66 1.487 10.076 5.772 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.758 9.399 3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.869 8.524 4.411 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.402 7.720 3.802 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.267 10.377 4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.947 8.803 4.601 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.846 10.123 5.790 1.00 0.00 H new ATOM 936 N SER A 67 3.530 7.963 7.091 1.00 0.00 N ATOM 937 CA SER A 67 4.797 8.498 7.592 1.00 0.00 C ATOM 938 C SER A 67 5.932 8.182 6.631 1.00 0.00 C ATOM 939 O SER A 67 5.855 7.185 5.903 1.00 0.00 O ATOM 940 CB SER A 67 5.186 7.878 8.938 1.00 0.00 C ATOM 941 OG SER A 67 4.083 7.530 9.739 1.00 0.00 O ATOM 0 H SER A 67 3.637 7.128 6.515 1.00 0.00 H new ATOM 0 HA SER A 67 4.649 9.573 7.697 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.788 6.988 8.758 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.813 8.582 9.485 1.00 0.00 H new ATOM 0 HG SER A 67 4.400 7.140 10.580 1.00 0.00 H new ATOM 947 N TYR A 68 7.027 8.940 6.729 1.00 0.00 N ATOM 948 CA TYR A 68 8.287 8.645 6.058 1.00 0.00 C ATOM 949 C TYR A 68 9.387 9.051 7.039 1.00 0.00 C ATOM 950 O TYR A 68 9.382 10.178 7.546 1.00 0.00 O ATOM 951 CB TYR A 68 8.435 9.426 4.739 1.00 0.00 C ATOM 952 CG TYR A 68 7.132 9.867 4.097 1.00 0.00 C ATOM 953 CD1 TYR A 68 6.261 8.964 3.452 1.00 0.00 C ATOM 954 CD2 TYR A 68 6.754 11.211 4.233 1.00 0.00 C ATOM 955 CE1 TYR A 68 5.018 9.399 2.965 1.00 0.00 C ATOM 956 CE2 TYR A 68 5.530 11.655 3.718 1.00 0.00 C ATOM 957 CZ TYR A 68 4.661 10.756 3.068 1.00 0.00 C ATOM 958 OH TYR A 68 3.508 11.186 2.495 1.00 0.00 O ATOM 0 H TYR A 68 7.059 9.792 7.289 1.00 0.00 H new ATOM 0 HA TYR A 68 8.340 7.589 5.792 1.00 0.00 H new ATOM 0 HB2 TYR A 68 9.046 10.309 4.925 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.980 8.805 4.028 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.552 7.931 3.332 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.410 11.906 4.737 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.337 8.693 2.512 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.250 12.693 3.820 1.00 0.00 H new ATOM 0 HH TYR A 68 3.207 12.005 2.941 1.00 0.00 H new ATOM 968 N ASP A 69 10.314 8.144 7.326 1.00 0.00 N ATOM 969 CA ASP A 69 11.503 8.425 8.117 1.00 0.00 C ATOM 970 C ASP A 69 12.585 9.085 7.249 1.00 0.00 C ATOM 971 O ASP A 69 12.615 8.957 6.019 1.00 0.00 O ATOM 972 CB ASP A 69 12.050 7.117 8.736 1.00 0.00 C ATOM 973 CG ASP A 69 11.577 6.832 10.161 1.00 0.00 C ATOM 974 OD1 ASP A 69 11.130 7.760 10.878 1.00 0.00 O ATOM 975 OD2 ASP A 69 11.750 5.684 10.630 1.00 0.00 O ATOM 0 H ASP A 69 10.258 7.176 7.009 1.00 0.00 H new ATOM 0 HA ASP A 69 11.231 9.113 8.917 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.760 6.282 8.099 1.00 0.00 H new ATOM 0 HB3 ASP A 69 13.139 7.158 8.732 1.00 0.00 H new ATOM 980 N GLU A 70 13.536 9.752 7.897 1.00 0.00 N ATOM 981 CA GLU A 70 14.766 10.198 7.254 1.00 0.00 C ATOM 982 C GLU A 70 15.679 8.982 6.984 1.00 0.00 C ATOM 983 O GLU A 70 15.478 7.885 7.522 1.00 0.00 O ATOM 984 CB GLU A 70 15.435 11.283 8.118 1.00 0.00 C ATOM 985 CG GLU A 70 15.542 12.652 7.418 1.00 0.00 C ATOM 986 CD GLU A 70 16.234 13.710 8.295 1.00 0.00 C ATOM 987 OE1 GLU A 70 15.971 13.752 9.523 1.00 0.00 O ATOM 988 OE2 GLU A 70 17.121 14.438 7.798 1.00 0.00 O ATOM 0 H GLU A 70 13.474 9.998 8.885 1.00 0.00 H new ATOM 0 HA GLU A 70 14.553 10.653 6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 70 14.868 11.400 9.042 1.00 0.00 H new ATOM 0 HB3 GLU A 70 16.434 10.948 8.397 1.00 0.00 H new ATOM 0 HG2 GLU A 70 16.097 12.538 6.487 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.544 13.000 7.154 1.00 0.00 H new ATOM 995 N ASN A 71 16.696 9.159 6.140 1.00 0.00 N ATOM 996 CA ASN A 71 17.643 8.102 5.772 1.00 0.00 C ATOM 997 C ASN A 71 18.795 8.028 6.778 1.00 0.00 C ATOM 998 O ASN A 71 18.992 8.954 7.566 1.00 0.00 O ATOM 999 CB ASN A 71 18.171 8.318 4.338 1.00 0.00 C ATOM 1000 CG ASN A 71 18.720 9.711 4.080 1.00 0.00 C ATOM 1001 OD1 ASN A 71 19.251 10.374 4.960 1.00 0.00 O ATOM 1002 ND2 ASN A 71 18.538 10.196 2.870 1.00 0.00 N ATOM 0 H ASN A 71 16.889 10.052 5.686 1.00 0.00 H new ATOM 0 HA ASN A 71 17.116 7.148 5.797 1.00 0.00 H new ATOM 0 HB2 ASN A 71 18.955 7.588 4.138 1.00 0.00 H new ATOM 0 HB3 ASN A 71 17.364 8.121 3.632 1.00 0.00 H new ATOM 0 HD21 ASN A 71 18.842 11.144 2.650 1.00 0.00 H new ATOM 0 HD22 ASN A 71 18.093 9.624 2.153 1.00 0.00 H new ATOM 1009 N PRO A 72 19.569 6.926 6.768 1.00 0.00 N ATOM 1010 CA PRO A 72 20.793 6.774 7.551 1.00 0.00 C ATOM 1011 C PRO A 72 22.053 7.276 6.825 1.00 0.00 C ATOM 1012 O PRO A 72 23.131 7.271 7.420 1.00 0.00 O ATOM 1013 CB PRO A 72 20.897 5.270 7.798 1.00 0.00 C ATOM 1014 CG PRO A 72 20.359 4.703 6.489 1.00 0.00 C ATOM 1015 CD PRO A 72 19.225 5.655 6.146 1.00 0.00 C ATOM 0 HA PRO A 72 20.740 7.370 8.462 1.00 0.00 H new ATOM 0 HB2 PRO A 72 21.923 4.957 7.988 1.00 0.00 H new ATOM 0 HB3 PRO A 72 20.303 4.954 8.656 1.00 0.00 H new ATOM 0 HG2 PRO A 72 21.123 4.688 5.711 1.00 0.00 H new ATOM 0 HG3 PRO A 72 20.005 3.679 6.608 1.00 0.00 H new ATOM 0 HD2 PRO A 72 19.120 5.764 5.067 1.00 0.00 H new ATOM 0 HD3 PRO A 72 18.273 5.281 6.523 1.00 0.00 H new ATOM 1023 N ALA A 73 21.964 7.632 5.540 1.00 0.00 N ATOM 1024 CA ALA A 73 23.115 7.927 4.699 1.00 0.00 C ATOM 1025 C ALA A 73 22.826 9.137 3.820 1.00 0.00 C ATOM 1026 O ALA A 73 21.681 9.420 3.476 1.00 0.00 O ATOM 1027 CB ALA A 73 23.437 6.691 3.850 1.00 0.00 C ATOM 0 H ALA A 73 21.073 7.723 5.052 1.00 0.00 H new ATOM 0 HA ALA A 73 23.979 8.167 5.319 1.00 0.00 H new ATOM 0 HB1 ALA A 73 24.298 6.900 3.215 1.00 0.00 H new ATOM 0 HB2 ALA A 73 23.664 5.849 4.504 1.00 0.00 H new ATOM 0 HB3 ALA A 73 22.578 6.444 3.226 1.00 0.00 H new ATOM 1033 N LYS A 74 23.881 9.811 3.370 1.00 0.00 N ATOM 1034 CA LYS A 74 23.826 11.103 2.704 1.00 0.00 C ATOM 1035 C LYS A 74 23.737 10.964 1.190 1.00 0.00 C ATOM 1036 O LYS A 74 24.091 11.886 0.459 1.00 0.00 O ATOM 1037 CB LYS A 74 24.939 12.023 3.234 1.00 0.00 C ATOM 1038 CG LYS A 74 26.344 11.403 3.213 1.00 0.00 C ATOM 1039 CD LYS A 74 27.121 11.605 1.906 1.00 0.00 C ATOM 1040 CE LYS A 74 28.396 12.406 2.173 1.00 0.00 C ATOM 1041 NZ LYS A 74 28.101 13.803 2.549 1.00 0.00 N ATOM 0 H LYS A 74 24.833 9.456 3.464 1.00 0.00 H new ATOM 0 HA LYS A 74 22.894 11.608 2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 74 24.950 12.937 2.640 1.00 0.00 H new ATOM 0 HB3 LYS A 74 24.698 12.311 4.257 1.00 0.00 H new ATOM 0 HG2 LYS A 74 26.924 11.827 4.033 1.00 0.00 H new ATOM 0 HG3 LYS A 74 26.256 10.334 3.404 1.00 0.00 H new ATOM 0 HD2 LYS A 74 27.374 10.638 1.471 1.00 0.00 H new ATOM 0 HD3 LYS A 74 26.498 12.128 1.180 1.00 0.00 H new ATOM 0 HE2 LYS A 74 28.965 11.928 2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 74 29.025 12.395 1.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 28.992 14.316 2.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 27.566 14.263 1.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 27.537 13.816 3.423 1.00 0.00 H new ATOM 1055 N GLU A 75 23.271 9.812 0.709 1.00 0.00 N ATOM 1056 CA GLU A 75 22.920 9.645 -0.688 1.00 0.00 C ATOM 1057 C GLU A 75 21.414 9.804 -0.831 1.00 0.00 C ATOM 1058 O GLU A 75 20.645 9.496 0.085 1.00 0.00 O ATOM 1059 CB GLU A 75 23.376 8.293 -1.242 1.00 0.00 C ATOM 1060 CG GLU A 75 24.854 8.276 -1.660 1.00 0.00 C ATOM 1061 CD GLU A 75 25.058 7.604 -3.019 1.00 0.00 C ATOM 1062 OE1 GLU A 75 24.661 8.198 -4.046 1.00 0.00 O ATOM 1063 OE2 GLU A 75 25.649 6.502 -3.084 1.00 0.00 O ATOM 0 H GLU A 75 23.129 8.977 1.278 1.00 0.00 H new ATOM 0 HA GLU A 75 23.437 10.407 -1.271 1.00 0.00 H new ATOM 0 HB2 GLU A 75 23.210 7.524 -0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 75 22.759 8.034 -2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 75 25.231 9.298 -1.701 1.00 0.00 H new ATOM 0 HG3 GLU A 75 25.438 7.751 -0.905 1.00 0.00 H new ATOM 1070 N ARG A 76 21.007 10.270 -2.009 1.00 0.00 N ATOM 1071 CA ARG A 76 19.618 10.551 -2.333 1.00 0.00 C ATOM 1072 C ARG A 76 18.873 9.233 -2.501 1.00 0.00 C ATOM 1073 O ARG A 76 19.342 8.334 -3.204 1.00 0.00 O ATOM 1074 CB ARG A 76 19.558 11.357 -3.637 1.00 0.00 C ATOM 1075 CG ARG A 76 18.233 12.093 -3.854 1.00 0.00 C ATOM 1076 CD ARG A 76 18.131 12.637 -5.287 1.00 0.00 C ATOM 1077 NE ARG A 76 18.941 13.838 -5.533 1.00 0.00 N ATOM 1078 CZ ARG A 76 20.081 13.947 -6.222 1.00 0.00 C ATOM 1079 NH1 ARG A 76 20.825 12.886 -6.544 1.00 0.00 N ATOM 1080 NH2 ARG A 76 20.456 15.154 -6.623 1.00 0.00 N ATOM 0 H ARG A 76 21.649 10.465 -2.777 1.00 0.00 H new ATOM 0 HA ARG A 76 19.155 11.129 -1.533 1.00 0.00 H new ATOM 0 HB2 ARG A 76 20.370 12.084 -3.641 1.00 0.00 H new ATOM 0 HB3 ARG A 76 19.729 10.683 -4.477 1.00 0.00 H new ATOM 0 HG2 ARG A 76 17.401 11.416 -3.659 1.00 0.00 H new ATOM 0 HG3 ARG A 76 18.149 12.915 -3.143 1.00 0.00 H new ATOM 0 HD2 ARG A 76 18.438 11.856 -5.983 1.00 0.00 H new ATOM 0 HD3 ARG A 76 17.087 12.865 -5.504 1.00 0.00 H new ATOM 0 HE ARG A 76 18.586 14.703 -5.124 1.00 0.00 H new ATOM 0 HH11 ARG A 76 20.529 11.951 -6.263 1.00 0.00 H new ATOM 0 HH12 ARG A 76 21.689 13.010 -7.071 1.00 0.00 H new ATOM 0 HH21 ARG A 76 19.879 15.966 -6.404 1.00 0.00 H new ATOM 0 HH22 ARG A 76 21.321 15.270 -7.151 1.00 0.00 H new ATOM 1094 N ARG A 77 17.679 9.141 -1.933 1.00 0.00 N ATOM 1095 CA ARG A 77 16.747 8.045 -2.119 1.00 0.00 C ATOM 1096 C ARG A 77 15.546 8.604 -2.852 1.00 0.00 C ATOM 1097 O ARG A 77 14.898 9.535 -2.373 1.00 0.00 O ATOM 1098 CB ARG A 77 16.316 7.435 -0.775 1.00 0.00 C ATOM 1099 CG ARG A 77 17.493 7.090 0.142 1.00 0.00 C ATOM 1100 CD ARG A 77 17.072 6.170 1.292 1.00 0.00 C ATOM 1101 NE ARG A 77 17.045 4.758 0.876 1.00 0.00 N ATOM 1102 CZ ARG A 77 18.090 3.921 0.891 1.00 0.00 C ATOM 1103 NH1 ARG A 77 19.298 4.348 1.251 1.00 0.00 N ATOM 1104 NH2 ARG A 77 17.906 2.651 0.543 1.00 0.00 N ATOM 0 H ARG A 77 17.321 9.860 -1.304 1.00 0.00 H new ATOM 0 HA ARG A 77 17.221 7.245 -2.688 1.00 0.00 H new ATOM 0 HB2 ARG A 77 15.658 8.136 -0.261 1.00 0.00 H new ATOM 0 HB3 ARG A 77 15.735 6.532 -0.964 1.00 0.00 H new ATOM 0 HG2 ARG A 77 18.277 6.607 -0.441 1.00 0.00 H new ATOM 0 HG3 ARG A 77 17.917 8.008 0.549 1.00 0.00 H new ATOM 0 HD2 ARG A 77 17.763 6.291 2.126 1.00 0.00 H new ATOM 0 HD3 ARG A 77 16.085 6.463 1.650 1.00 0.00 H new ATOM 0 HE ARG A 77 16.154 4.385 0.548 1.00 0.00 H new ATOM 0 HH11 ARG A 77 19.435 5.322 1.519 1.00 0.00 H new ATOM 0 HH12 ARG A 77 20.086 3.701 1.258 1.00 0.00 H new ATOM 0 HH21 ARG A 77 16.979 2.326 0.270 1.00 0.00 H new ATOM 0 HH22 ARG A 77 18.692 2.001 0.549 1.00 0.00 H new ATOM 1118 N THR A 78 15.219 8.018 -3.995 1.00 0.00 N ATOM 1119 CA THR A 78 13.865 8.075 -4.500 1.00 0.00 C ATOM 1120 C THR A 78 13.100 7.064 -3.646 1.00 0.00 C ATOM 1121 O THR A 78 13.285 5.857 -3.814 1.00 0.00 O ATOM 1122 CB THR A 78 13.862 7.690 -5.991 1.00 0.00 C ATOM 1123 OG1 THR A 78 14.894 8.371 -6.678 1.00 0.00 O ATOM 1124 CG2 THR A 78 12.546 8.004 -6.703 1.00 0.00 C ATOM 0 H THR A 78 15.873 7.502 -4.584 1.00 0.00 H new ATOM 0 HA THR A 78 13.413 9.065 -4.437 1.00 0.00 H new ATOM 0 HB THR A 78 14.011 6.610 -6.010 1.00 0.00 H new ATOM 0 HG1 THR A 78 14.881 8.115 -7.624 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.618 7.706 -7.749 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.734 7.456 -6.225 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.346 9.074 -6.644 1.00 0.00 H new ATOM 1132 N GLY A 79 12.290 7.504 -2.684 1.00 0.00 N ATOM 1133 CA GLY A 79 11.295 6.602 -2.118 1.00 0.00 C ATOM 1134 C GLY A 79 10.388 6.118 -3.248 1.00 0.00 C ATOM 1135 O GLY A 79 10.058 6.908 -4.140 1.00 0.00 O ATOM 0 H GLY A 79 12.301 8.446 -2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 79 11.782 5.756 -1.633 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.710 7.114 -1.354 1.00 0.00 H new ATOM 1139 N LEU A 80 9.972 4.854 -3.221 1.00 0.00 N ATOM 1140 CA LEU A 80 8.870 4.371 -4.043 1.00 0.00 C ATOM 1141 C LEU A 80 8.062 3.396 -3.201 1.00 0.00 C ATOM 1142 O LEU A 80 8.636 2.491 -2.591 1.00 0.00 O ATOM 1143 CB LEU A 80 9.381 3.691 -5.327 1.00 0.00 C ATOM 1144 CG LEU A 80 8.233 3.429 -6.329 1.00 0.00 C ATOM 1145 CD1 LEU A 80 7.845 4.717 -7.072 1.00 0.00 C ATOM 1146 CD2 LEU A 80 8.617 2.359 -7.356 1.00 0.00 C ATOM 0 H LEU A 80 10.391 4.137 -2.628 1.00 0.00 H new ATOM 0 HA LEU A 80 8.249 5.209 -4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.137 4.320 -5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.864 2.748 -5.072 1.00 0.00 H new ATOM 0 HG LEU A 80 7.382 3.074 -5.748 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.036 4.504 -7.770 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.516 5.467 -6.353 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.708 5.094 -7.621 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.787 2.201 -8.044 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.493 2.688 -7.914 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.845 1.426 -6.841 1.00 0.00 H new ATOM 1158 N VAL A 81 6.743 3.575 -3.188 1.00 0.00 N ATOM 1159 CA VAL A 81 5.783 2.599 -2.696 1.00 0.00 C ATOM 1160 C VAL A 81 4.613 2.638 -3.677 1.00 0.00 C ATOM 1161 O VAL A 81 4.220 3.719 -4.139 1.00 0.00 O ATOM 1162 CB VAL A 81 5.350 2.921 -1.246 1.00 0.00 C ATOM 1163 CG1 VAL A 81 4.567 1.814 -0.545 1.00 0.00 C ATOM 1164 CG2 VAL A 81 6.537 3.220 -0.332 1.00 0.00 C ATOM 0 H VAL A 81 6.303 4.429 -3.530 1.00 0.00 H new ATOM 0 HA VAL A 81 6.210 1.597 -2.648 1.00 0.00 H new ATOM 0 HB VAL A 81 4.709 3.791 -1.388 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.309 2.134 0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.655 1.604 -1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.177 0.912 -0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.176 3.439 0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.198 2.354 -0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.085 4.080 -0.717 1.00 0.00 H new ATOM 1174 N THR A 82 4.017 1.485 -3.946 1.00 0.00 N ATOM 1175 CA THR A 82 2.774 1.324 -4.699 1.00 0.00 C ATOM 1176 C THR A 82 1.717 0.791 -3.723 1.00 0.00 C ATOM 1177 O THR A 82 2.076 0.185 -2.714 1.00 0.00 O ATOM 1178 CB THR A 82 3.029 0.382 -5.895 1.00 0.00 C ATOM 1179 OG1 THR A 82 4.124 0.850 -6.665 1.00 0.00 O ATOM 1180 CG2 THR A 82 1.840 0.278 -6.856 1.00 0.00 C ATOM 0 H THR A 82 4.402 0.594 -3.632 1.00 0.00 H new ATOM 0 HA THR A 82 2.412 2.264 -5.116 1.00 0.00 H new ATOM 0 HB THR A 82 3.218 -0.596 -5.452 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.277 0.243 -7.419 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.090 -0.400 -7.672 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.971 -0.104 -6.320 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.612 1.264 -7.261 1.00 0.00 H new ATOM 1188 N LEU A 83 0.426 0.998 -4.001 1.00 0.00 N ATOM 1189 CA LEU A 83 -0.693 0.408 -3.257 1.00 0.00 C ATOM 1190 C LEU A 83 -1.732 -0.156 -4.206 1.00 0.00 C ATOM 1191 O LEU A 83 -1.771 0.275 -5.356 1.00 0.00 O ATOM 1192 CB LEU A 83 -1.370 1.404 -2.325 1.00 0.00 C ATOM 1193 CG LEU A 83 -1.855 2.701 -2.987 1.00 0.00 C ATOM 1194 CD1 LEU A 83 -3.340 2.954 -2.737 1.00 0.00 C ATOM 1195 CD2 LEU A 83 -0.966 3.812 -2.439 1.00 0.00 C ATOM 0 H LEU A 83 0.122 1.596 -4.769 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.265 -0.389 -2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.223 0.914 -1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.673 1.662 -1.528 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.771 2.645 -4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -3.638 3.882 -3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.923 2.128 -3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.520 3.033 -1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.264 4.765 -2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.071 3.861 -1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.073 3.605 -2.694 1.00 0.00 H new ATOM 1207 N LYS A 84 -2.625 -1.027 -3.730 1.00 0.00 N ATOM 1208 CA LYS A 84 -3.733 -1.545 -4.531 1.00 0.00 C ATOM 1209 C LYS A 84 -4.953 -1.773 -3.639 1.00 0.00 C ATOM 1210 O LYS A 84 -4.831 -2.422 -2.600 1.00 0.00 O ATOM 1211 CB LYS A 84 -3.266 -2.823 -5.248 1.00 0.00 C ATOM 1212 CG LYS A 84 -4.283 -3.335 -6.280 1.00 0.00 C ATOM 1213 CD LYS A 84 -4.927 -4.653 -5.840 1.00 0.00 C ATOM 1214 CE LYS A 84 -6.049 -5.012 -6.816 1.00 0.00 C ATOM 1215 NZ LYS A 84 -7.201 -5.644 -6.136 1.00 0.00 N ATOM 0 H LYS A 84 -2.599 -1.392 -2.778 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.035 -0.827 -5.294 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.317 -2.628 -5.747 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.083 -3.602 -4.508 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.059 -2.584 -6.429 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.787 -3.476 -7.240 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.181 -5.447 -5.817 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.324 -4.559 -4.829 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.383 -4.111 -7.330 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.663 -5.689 -7.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.005 -5.700 -6.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.939 -6.602 -5.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.470 -5.075 -5.308 1.00 0.00 H new ATOM 1229 N GLN A 85 -6.103 -1.218 -4.032 1.00 0.00 N ATOM 1230 CA GLN A 85 -7.393 -1.399 -3.366 1.00 0.00 C ATOM 1231 C GLN A 85 -7.866 -2.843 -3.452 1.00 0.00 C ATOM 1232 O GLN A 85 -7.568 -3.527 -4.422 1.00 0.00 O ATOM 1233 CB GLN A 85 -8.451 -0.526 -4.060 1.00 0.00 C ATOM 1234 CG GLN A 85 -8.545 0.879 -3.467 1.00 0.00 C ATOM 1235 CD GLN A 85 -9.178 1.858 -4.457 1.00 0.00 C ATOM 1236 OE1 GLN A 85 -8.772 1.956 -5.614 1.00 0.00 O ATOM 1237 NE2 GLN A 85 -10.203 2.571 -4.028 1.00 0.00 N ATOM 0 H GLN A 85 -6.162 -0.611 -4.849 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.266 -1.120 -2.320 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.214 -0.452 -5.121 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.423 -1.013 -3.984 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.136 0.851 -2.552 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.549 1.228 -3.193 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.524 2.475 -3.065 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.674 3.218 -4.660 1.00 0.00 H new ATOM 1246 N ASP A 86 -8.726 -3.209 -2.506 1.00 0.00 N ATOM 1247 CA ASP A 86 -9.454 -4.476 -2.366 1.00 0.00 C ATOM 1248 C ASP A 86 -10.173 -4.881 -3.662 1.00 0.00 C ATOM 1249 O ASP A 86 -9.631 -5.604 -4.498 1.00 0.00 O ATOM 1250 CB ASP A 86 -10.399 -4.307 -1.166 1.00 0.00 C ATOM 1251 CG ASP A 86 -11.158 -5.566 -0.743 1.00 0.00 C ATOM 1252 OD1 ASP A 86 -11.752 -6.273 -1.579 1.00 0.00 O ATOM 1253 OD2 ASP A 86 -11.249 -5.785 0.489 1.00 0.00 O ATOM 0 H ASP A 86 -8.955 -2.570 -1.745 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.769 -5.304 -2.182 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.818 -3.951 -0.315 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -11.125 -3.529 -1.404 1.00 0.00 H new ATOM 1258 N GLU A 87 -11.382 -4.364 -3.868 1.00 0.00 N ATOM 1259 CA GLU A 87 -12.232 -4.657 -5.019 1.00 0.00 C ATOM 1260 C GLU A 87 -11.688 -3.996 -6.288 1.00 0.00 C ATOM 1261 O GLU A 87 -11.978 -4.426 -7.403 1.00 0.00 O ATOM 1262 CB GLU A 87 -13.609 -4.045 -4.742 1.00 0.00 C ATOM 1263 CG GLU A 87 -14.352 -4.630 -3.535 1.00 0.00 C ATOM 1264 CD GLU A 87 -15.022 -5.978 -3.781 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -15.343 -6.322 -4.941 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -15.306 -6.647 -2.760 1.00 0.00 O ATOM 0 H GLU A 87 -11.811 -3.707 -3.216 1.00 0.00 H new ATOM 0 HA GLU A 87 -12.272 -5.736 -5.165 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -13.488 -2.973 -4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -14.231 -4.173 -5.628 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.647 -4.737 -2.711 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -15.112 -3.917 -3.215 1.00 0.00 H new ATOM 1273 N SER A 88 -10.934 -2.916 -6.097 1.00 0.00 N ATOM 1274 CA SER A 88 -10.550 -1.935 -7.090 1.00 0.00 C ATOM 1275 C SER A 88 -9.065 -2.092 -7.399 1.00 0.00 C ATOM 1276 O SER A 88 -8.559 -3.216 -7.374 1.00 0.00 O ATOM 1277 CB SER A 88 -11.028 -0.544 -6.649 1.00 0.00 C ATOM 1278 OG SER A 88 -11.556 0.153 -7.753 1.00 0.00 O ATOM 0 H SER A 88 -10.552 -2.695 -5.177 1.00 0.00 H new ATOM 0 HA SER A 88 -11.044 -2.091 -8.049 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.786 -0.640 -5.872 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.198 0.016 -6.217 1.00 0.00 H new ATOM 0 HG SER A 88 -12.485 0.403 -7.568 1.00 0.00 H new ATOM 1284 N GLY A 89 -8.387 -1.026 -7.829 1.00 0.00 N ATOM 1285 CA GLY A 89 -7.028 -1.183 -8.322 1.00 0.00 C ATOM 1286 C GLY A 89 -6.429 0.005 -9.055 1.00 0.00 C ATOM 1287 O GLY A 89 -5.361 -0.175 -9.637 1.00 0.00 O ATOM 0 H GLY A 89 -8.748 -0.072 -7.845 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.384 -1.421 -7.476 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.006 -2.043 -8.991 1.00 0.00 H new ATOM 1291 N LYS A 90 -7.014 1.213 -8.993 1.00 0.00 N ATOM 1292 CA LYS A 90 -6.210 2.405 -9.254 1.00 0.00 C ATOM 1293 C LYS A 90 -5.144 2.453 -8.172 1.00 0.00 C ATOM 1294 O LYS A 90 -5.416 2.871 -7.042 1.00 0.00 O ATOM 1295 CB LYS A 90 -7.010 3.714 -9.247 1.00 0.00 C ATOM 1296 CG LYS A 90 -7.648 4.058 -10.600 1.00 0.00 C ATOM 1297 CD LYS A 90 -7.775 5.584 -10.739 1.00 0.00 C ATOM 1298 CE LYS A 90 -8.245 6.019 -12.126 1.00 0.00 C ATOM 1299 NZ LYS A 90 -7.238 5.753 -13.175 1.00 0.00 N ATOM 0 H LYS A 90 -7.996 1.382 -8.774 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.795 2.327 -10.259 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.794 3.645 -8.493 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.351 4.530 -8.949 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -7.040 3.658 -11.412 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.631 3.593 -10.679 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.476 5.955 -9.991 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.810 6.044 -10.527 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.169 5.496 -12.373 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.476 7.084 -12.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.545 6.186 -14.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.324 6.159 -12.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.135 4.726 -13.305 1.00 0.00 H new ATOM 1313 N THR A 91 -3.950 1.977 -8.500 1.00 0.00 N ATOM 1314 CA THR A 91 -2.805 2.127 -7.629 1.00 0.00 C ATOM 1315 C THR A 91 -2.467 3.608 -7.520 1.00 0.00 C ATOM 1316 O THR A 91 -2.926 4.414 -8.338 1.00 0.00 O ATOM 1317 CB THR A 91 -1.630 1.287 -8.153 1.00 0.00 C ATOM 1318 OG1 THR A 91 -1.057 1.829 -9.331 1.00 0.00 O ATOM 1319 CG2 THR A 91 -2.033 -0.171 -8.410 1.00 0.00 C ATOM 0 H THR A 91 -3.755 1.482 -9.370 1.00 0.00 H new ATOM 0 HA THR A 91 -3.029 1.757 -6.628 1.00 0.00 H new ATOM 0 HB THR A 91 -0.880 1.313 -7.362 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.314 1.262 -9.624 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.171 -0.727 -8.779 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.384 -0.621 -7.481 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.830 -0.203 -9.152 1.00 0.00 H new ATOM 1327 N LEU A 92 -1.621 3.982 -6.566 1.00 0.00 N ATOM 1328 CA LEU A 92 -1.085 5.330 -6.499 1.00 0.00 C ATOM 1329 C LEU A 92 0.410 5.181 -6.300 1.00 0.00 C ATOM 1330 O LEU A 92 0.846 4.262 -5.599 1.00 0.00 O ATOM 1331 CB LEU A 92 -1.721 6.096 -5.334 1.00 0.00 C ATOM 1332 CG LEU A 92 -3.254 6.235 -5.407 1.00 0.00 C ATOM 1333 CD1 LEU A 92 -3.762 6.609 -4.021 1.00 0.00 C ATOM 1334 CD2 LEU A 92 -3.694 7.273 -6.451 1.00 0.00 C ATOM 0 H LEU A 92 -1.292 3.363 -5.825 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.302 5.895 -7.406 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.461 5.593 -4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.282 7.093 -5.291 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.683 5.285 -5.725 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.847 6.713 -4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.489 5.828 -3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.314 7.553 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.782 7.335 -6.466 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.278 8.247 -6.193 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.334 6.974 -7.436 1.00 0.00 H new ATOM 1346 N SER A 93 1.190 6.076 -6.902 1.00 0.00 N ATOM 1347 CA SER A 93 2.594 6.204 -6.566 1.00 0.00 C ATOM 1348 C SER A 93 2.664 7.124 -5.354 1.00 0.00 C ATOM 1349 O SER A 93 2.037 8.191 -5.372 1.00 0.00 O ATOM 1350 CB SER A 93 3.389 6.759 -7.754 1.00 0.00 C ATOM 1351 OG SER A 93 2.987 6.152 -8.977 1.00 0.00 O ATOM 0 H SER A 93 0.868 6.720 -7.624 1.00 0.00 H new ATOM 0 HA SER A 93 3.040 5.237 -6.334 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.246 7.838 -7.817 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.453 6.587 -7.593 1.00 0.00 H new ATOM 0 HG SER A 93 3.510 6.527 -9.716 1.00 0.00 H new ATOM 1357 N LEU A 94 3.370 6.693 -4.312 1.00 0.00 N ATOM 1358 CA LEU A 94 3.959 7.550 -3.294 1.00 0.00 C ATOM 1359 C LEU A 94 5.407 7.726 -3.711 1.00 0.00 C ATOM 1360 O LEU A 94 6.099 6.724 -3.932 1.00 0.00 O ATOM 1361 CB LEU A 94 3.903 6.841 -1.935 1.00 0.00 C ATOM 1362 CG LEU A 94 4.679 7.514 -0.790 1.00 0.00 C ATOM 1363 CD1 LEU A 94 4.299 8.957 -0.470 1.00 0.00 C ATOM 1364 CD2 LEU A 94 4.477 6.663 0.459 1.00 0.00 C ATOM 0 H LEU A 94 3.552 5.703 -4.150 1.00 0.00 H new ATOM 0 HA LEU A 94 3.436 8.502 -3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.858 6.753 -1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.285 5.828 -2.060 1.00 0.00 H new ATOM 0 HG LEU A 94 5.715 7.573 -1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.914 9.321 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.464 9.580 -1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.248 9.002 -0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.015 7.110 1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.414 6.612 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.857 5.657 0.280 1.00 0.00 H new ATOM 1376 N LYS A 95 5.867 8.969 -3.806 1.00 0.00 N ATOM 1377 CA LYS A 95 7.245 9.299 -4.120 1.00 0.00 C ATOM 1378 C LYS A 95 7.684 10.419 -3.195 1.00 0.00 C ATOM 1379 O LYS A 95 7.112 11.498 -3.239 1.00 0.00 O ATOM 1380 CB LYS A 95 7.374 9.698 -5.596 1.00 0.00 C ATOM 1381 CG LYS A 95 7.606 8.476 -6.492 1.00 0.00 C ATOM 1382 CD LYS A 95 8.006 8.871 -7.916 1.00 0.00 C ATOM 1383 CE LYS A 95 9.398 9.519 -7.950 1.00 0.00 C ATOM 1384 NZ LYS A 95 9.816 9.831 -9.329 1.00 0.00 N ATOM 0 H LYS A 95 5.277 9.789 -3.663 1.00 0.00 H new ATOM 0 HA LYS A 95 7.891 8.435 -3.967 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.469 10.217 -5.914 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.201 10.398 -5.713 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.386 7.852 -6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.698 7.874 -6.525 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.999 7.988 -8.555 1.00 0.00 H new ATOM 0 HD3 LYS A 95 7.270 9.565 -8.323 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.390 10.433 -7.356 1.00 0.00 H new ATOM 0 HE3 LYS A 95 10.124 8.848 -7.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.760 10.267 -9.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.847 8.955 -9.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.136 10.491 -9.757 1.00 0.00 H new ATOM 1398 N ILE A 96 8.675 10.174 -2.354 1.00 0.00 N ATOM 1399 CA ILE A 96 9.351 11.201 -1.565 1.00 0.00 C ATOM 1400 C ILE A 96 10.728 11.275 -2.227 1.00 0.00 C ATOM 1401 O ILE A 96 11.363 10.227 -2.410 1.00 0.00 O ATOM 1402 CB ILE A 96 9.443 10.731 -0.099 1.00 0.00 C ATOM 1403 CG1 ILE A 96 8.049 10.369 0.467 1.00 0.00 C ATOM 1404 CG2 ILE A 96 10.132 11.750 0.811 1.00 0.00 C ATOM 1405 CD1 ILE A 96 8.022 8.881 0.820 1.00 0.00 C ATOM 0 H ILE A 96 9.043 9.236 -2.194 1.00 0.00 H new ATOM 0 HA ILE A 96 8.850 12.169 -1.543 1.00 0.00 H new ATOM 0 HB ILE A 96 10.063 9.835 -0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.835 10.969 1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.275 10.595 -0.267 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.167 11.363 1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.147 11.928 0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.574 12.686 0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.042 8.620 1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.218 8.291 -0.075 1.00 0.00 H new ATOM 0 HD13 ILE A 96 8.787 8.671 1.568 1.00 0.00 H new ATOM 1417 N VAL A 97 11.163 12.444 -2.681 1.00 0.00 N ATOM 1418 CA VAL A 97 12.505 12.643 -3.221 1.00 0.00 C ATOM 1419 C VAL A 97 13.229 13.545 -2.221 1.00 0.00 C ATOM 1420 O VAL A 97 13.094 14.765 -2.301 1.00 0.00 O ATOM 1421 CB VAL A 97 12.431 13.220 -4.651 1.00 0.00 C ATOM 1422 CG1 VAL A 97 13.833 13.359 -5.262 1.00 0.00 C ATOM 1423 CG2 VAL A 97 11.595 12.351 -5.606 1.00 0.00 C ATOM 0 H VAL A 97 10.591 13.288 -2.685 1.00 0.00 H new ATOM 0 HA VAL A 97 13.060 11.712 -3.331 1.00 0.00 H new ATOM 0 HB VAL A 97 11.952 14.193 -4.545 1.00 0.00 H new ATOM 0 HG11 VAL A 97 13.752 13.768 -6.269 1.00 0.00 H new ATOM 0 HG12 VAL A 97 14.434 14.028 -4.646 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.310 12.380 -5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.580 12.808 -6.595 1.00 0.00 H new ATOM 0 HG22 VAL A 97 12.036 11.356 -5.673 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.576 12.272 -5.228 1.00 0.00 H new ATOM 1433 N GLN A 98 13.945 12.952 -1.258 1.00 0.00 N ATOM 1434 CA GLN A 98 14.527 13.704 -0.140 1.00 0.00 C ATOM 1435 C GLN A 98 16.061 13.761 -0.225 1.00 0.00 C ATOM 1436 O GLN A 98 16.642 12.912 -0.913 1.00 0.00 O ATOM 1437 CB GLN A 98 13.965 13.192 1.205 1.00 0.00 C ATOM 1438 CG GLN A 98 14.518 11.935 1.893 1.00 0.00 C ATOM 1439 CD GLN A 98 13.787 11.661 3.219 1.00 0.00 C ATOM 1440 OE1 GLN A 98 13.270 12.562 3.871 1.00 0.00 O ATOM 1441 NE2 GLN A 98 13.717 10.415 3.657 1.00 0.00 N ATOM 0 H GLN A 98 14.136 11.950 -1.231 1.00 0.00 H new ATOM 0 HA GLN A 98 14.220 14.748 -0.209 1.00 0.00 H new ATOM 0 HB2 GLN A 98 14.064 14.010 1.919 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.898 13.025 1.057 1.00 0.00 H new ATOM 0 HG2 GLN A 98 14.409 11.076 1.230 1.00 0.00 H new ATOM 0 HG3 GLN A 98 15.584 12.059 2.081 1.00 0.00 H new ATOM 0 HE21 GLN A 98 14.145 9.661 3.120 1.00 0.00 H new ATOM 0 HE22 GLN A 98 13.235 10.208 4.532 1.00 0.00 H new ATOM 1450 N PRO A 99 16.725 14.735 0.429 1.00 0.00 N ATOM 1451 CA PRO A 99 18.179 14.780 0.630 1.00 0.00 C ATOM 1452 C PRO A 99 18.651 13.696 1.608 1.00 0.00 C ATOM 1453 O PRO A 99 17.956 12.704 1.823 1.00 0.00 O ATOM 1454 CB PRO A 99 18.478 16.211 1.101 1.00 0.00 C ATOM 1455 CG PRO A 99 17.208 16.595 1.839 1.00 0.00 C ATOM 1456 CD PRO A 99 16.119 15.930 1.007 1.00 0.00 C ATOM 0 HA PRO A 99 18.731 14.560 -0.284 1.00 0.00 H new ATOM 0 HB2 PRO A 99 19.351 16.248 1.752 1.00 0.00 H new ATOM 0 HB3 PRO A 99 18.677 16.879 0.263 1.00 0.00 H new ATOM 0 HG2 PRO A 99 17.211 16.230 2.866 1.00 0.00 H new ATOM 0 HG3 PRO A 99 17.078 17.676 1.885 1.00 0.00 H new ATOM 0 HD2 PRO A 99 15.259 15.671 1.625 1.00 0.00 H new ATOM 0 HD3 PRO A 99 15.760 16.601 0.227 1.00 0.00 H new ATOM 1464 N GLY A 100 19.872 13.791 2.136 1.00 0.00 N ATOM 1465 CA GLY A 100 20.351 12.848 3.133 1.00 0.00 C ATOM 1466 C GLY A 100 21.432 13.452 4.014 1.00 0.00 C ATOM 1467 O GLY A 100 22.082 14.430 3.620 1.00 0.00 O ATOM 0 H GLY A 100 20.545 14.516 1.885 1.00 0.00 H new ATOM 0 HA2 GLY A 100 19.517 12.522 3.754 1.00 0.00 H new ATOM 0 HA3 GLY A 100 20.743 11.961 2.635 1.00 0.00 H new ATOM 1471 N LYS A 101 21.668 12.823 5.171 1.00 0.00 N ATOM 1472 CA LYS A 101 22.560 13.308 6.226 1.00 0.00 C ATOM 1473 C LYS A 101 23.280 12.152 6.917 1.00 0.00 C ATOM 1474 O LYS A 101 23.018 10.990 6.611 1.00 0.00 O ATOM 1475 CB LYS A 101 21.770 14.194 7.212 1.00 0.00 C ATOM 1476 CG LYS A 101 20.915 13.511 8.301 1.00 0.00 C ATOM 1477 CD LYS A 101 20.167 12.212 7.954 1.00 0.00 C ATOM 1478 CE LYS A 101 18.971 11.958 8.880 1.00 0.00 C ATOM 1479 NZ LYS A 101 19.244 12.047 10.333 1.00 0.00 N ATOM 0 H LYS A 101 21.228 11.933 5.405 1.00 0.00 H new ATOM 0 HA LYS A 101 23.340 13.925 5.781 1.00 0.00 H new ATOM 0 HB2 LYS A 101 22.484 14.848 7.714 1.00 0.00 H new ATOM 0 HB3 LYS A 101 21.110 14.833 6.626 1.00 0.00 H new ATOM 0 HG2 LYS A 101 21.568 13.299 9.148 1.00 0.00 H new ATOM 0 HG3 LYS A 101 20.176 14.236 8.642 1.00 0.00 H new ATOM 0 HD2 LYS A 101 19.819 12.261 6.922 1.00 0.00 H new ATOM 0 HD3 LYS A 101 20.857 11.371 8.018 1.00 0.00 H new ATOM 0 HE2 LYS A 101 18.187 12.674 8.633 1.00 0.00 H new ATOM 0 HE3 LYS A 101 18.575 10.966 8.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 18.377 11.825 10.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 19.989 11.368 10.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 19.557 13.010 10.569 1.00 0.00 H new ATOM 1493 N THR A 102 24.185 12.479 7.839 1.00 0.00 N ATOM 1494 CA THR A 102 25.102 11.557 8.489 1.00 0.00 C ATOM 1495 C THR A 102 25.644 12.259 9.738 1.00 0.00 C ATOM 1496 O THR A 102 26.668 12.944 9.639 1.00 0.00 O ATOM 1497 CB THR A 102 26.278 11.226 7.538 1.00 0.00 C ATOM 1498 OG1 THR A 102 26.741 12.394 6.866 1.00 0.00 O ATOM 1499 CG2 THR A 102 25.988 10.153 6.493 1.00 0.00 C ATOM 0 H THR A 102 24.300 13.439 8.165 1.00 0.00 H new ATOM 0 HA THR A 102 24.592 10.629 8.749 1.00 0.00 H new ATOM 0 HB THR A 102 27.042 10.822 8.202 1.00 0.00 H new ATOM 0 HG1 THR A 102 26.934 13.095 7.523 1.00 0.00 H new ATOM 0 HG21 THR A 102 26.874 9.995 5.878 1.00 0.00 H new ATOM 0 HG22 THR A 102 25.722 9.221 6.992 1.00 0.00 H new ATOM 0 HG23 THR A 102 25.160 10.475 5.861 1.00 0.00 H new ATOM 1507 N SER A 103 24.972 12.197 10.888 1.00 0.00 N ATOM 1508 CA SER A 103 25.464 12.864 12.091 1.00 0.00 C ATOM 1509 C SER A 103 24.947 12.162 13.347 1.00 0.00 C ATOM 1510 O SER A 103 24.270 11.137 13.249 1.00 0.00 O ATOM 1511 CB SER A 103 25.093 14.359 12.036 1.00 0.00 C ATOM 1512 OG SER A 103 26.168 15.131 12.538 1.00 0.00 O ATOM 0 H SER A 103 24.092 11.695 11.011 1.00 0.00 H new ATOM 0 HA SER A 103 26.551 12.800 12.136 1.00 0.00 H new ATOM 0 HB2 SER A 103 24.869 14.652 11.010 1.00 0.00 H new ATOM 0 HB3 SER A 103 24.194 14.543 12.623 1.00 0.00 H new ATOM 0 HG SER A 103 25.933 16.082 12.502 1.00 0.00 H new ATOM 1518 N ILE A 104 25.289 12.674 14.532 1.00 0.00 N ATOM 1519 CA ILE A 104 24.662 12.258 15.778 1.00 0.00 C ATOM 1520 C ILE A 104 23.363 13.063 15.843 1.00 0.00 C ATOM 1521 O ILE A 104 23.331 14.169 16.391 1.00 0.00 O ATOM 1522 CB ILE A 104 25.601 12.471 16.992 1.00 0.00 C ATOM 1523 CG1 ILE A 104 26.946 11.733 16.781 1.00 0.00 C ATOM 1524 CG2 ILE A 104 24.914 11.978 18.280 1.00 0.00 C ATOM 1525 CD1 ILE A 104 27.969 11.957 17.902 1.00 0.00 C ATOM 0 H ILE A 104 26.008 13.388 14.649 1.00 0.00 H new ATOM 0 HA ILE A 104 24.451 11.189 15.812 1.00 0.00 H new ATOM 0 HB ILE A 104 25.810 13.536 17.088 1.00 0.00 H new ATOM 0 HG12 ILE A 104 26.751 10.664 16.691 1.00 0.00 H new ATOM 0 HG13 ILE A 104 27.382 12.058 15.836 1.00 0.00 H new ATOM 0 HG21 ILE A 104 25.580 12.131 19.129 1.00 0.00 H new ATOM 0 HG22 ILE A 104 23.992 12.537 18.437 1.00 0.00 H new ATOM 0 HG23 ILE A 104 24.684 10.917 18.186 1.00 0.00 H new ATOM 0 HD11 ILE A 104 28.882 11.406 17.677 1.00 0.00 H new ATOM 0 HD12 ILE A 104 28.197 13.020 17.980 1.00 0.00 H new ATOM 0 HD13 ILE A 104 27.556 11.604 18.847 1.00 0.00 H new ATOM 1537 N ASP A 105 22.312 12.540 15.223 1.00 0.00 N ATOM 1538 CA ASP A 105 20.956 13.069 15.284 1.00 0.00 C ATOM 1539 C ASP A 105 20.058 11.908 15.647 1.00 0.00 C ATOM 1540 O ASP A 105 19.387 11.998 16.697 1.00 0.00 O ATOM 1541 CB ASP A 105 20.588 13.705 13.947 1.00 0.00 C ATOM 1542 CG ASP A 105 19.234 14.404 13.958 1.00 0.00 C ATOM 1543 OD1 ASP A 105 18.179 13.832 14.300 1.00 0.00 O ATOM 1544 OD2 ASP A 105 19.193 15.570 13.508 1.00 0.00 O ATOM 0 H ASP A 105 22.384 11.705 14.642 1.00 0.00 H new ATOM 0 HA ASP A 105 20.851 13.856 16.031 1.00 0.00 H new ATOM 0 HB2 ASP A 105 21.358 14.426 13.673 1.00 0.00 H new ATOM 0 HB3 ASP A 105 20.584 12.934 13.176 1.00 0.00 H new TER 1549 ASP A 105