USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 849 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0166 (180deg=-0.186) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS :FLIP no HD1:sc= -0.219 F(o=-0.78,f=-0.22) USER MOD Single : A 6 HIS :FLIP no HD1:sc= -0.0995 F(o=-0.7,f=-0.099) USER MOD Single : A 7 HIS : no HE2:sc= -0.0143 K(o=-0.014,f=-0.72) USER MOD Single : A 8 HIS : no HD1:sc= -0.0538 X(o=-0.054,f=-0.25) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 10 HIS : no HD1:sc= -0.14 K(o=-0.14,f=-0.68) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.1 X(o=-0.1,f=-0.4) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -56:sc= 0.00443 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -34:sc= 0.168 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 164:sc= -0.0407 (180deg=-0.371) USER MOD Single : A 38 GLN : amide:sc=-0.00489 X(o=-0.0049,f=-0.0049) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.135 F(o=-1.4,f=-0.13) USER MOD Single : A 41 MET CE :methyl -132:sc= 0 (180deg=-0.163) USER MOD Single : A 43 THR OG1 : rot -65:sc= 1.05 USER MOD Single : A 44 ASN : amide:sc= -0.0261 X(o=-0.026,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= -0.0164 (180deg=-0.156) USER MOD Single : A 48 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00653) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -41:sc= 0.462 USER MOD Single : A 58 GLN : amide:sc= -0.579 X(o=-0.58,f=-0.7) USER MOD Single : A 65 LYS NZ :NH3+ -154:sc= -0.616 (180deg=-1.44!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.773 USER MOD Single : A 67 MET CE :methyl 159:sc= -2.99! (180deg=-4!) USER MOD Single : A 71 MET CE :methyl 179:sc= 0 (180deg=-0.000922) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.149 F(o=-1.3,f=-0.15) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -142:sc=-0.000351 (180deg=-0.245) USER MOD Single : A 88 ASN :FLIP amide:sc= -0.0187 F(o=-0.52,f=-0.019) USER MOD Single : A 89 TYR OH : rot -71:sc= 0.0568 USER MOD Single : A 90 THR OG1 : rot 35:sc= 0.385 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN :FLIP amide:sc= -0.217 F(o=-1.5,f=-0.22) USER MOD Single : A 106 SER OG : rot -65:sc= 0.583 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.630 -30.539 -18.479 1.00 54.52 N ATOM 2 CA MET A 1 31.638 -29.164 -17.994 1.00 70.23 C ATOM 3 C MET A 1 30.328 -28.829 -17.288 1.00 75.21 C ATOM 4 O MET A 1 30.309 -28.074 -16.317 1.00 13.21 O ATOM 5 CB MET A 1 31.868 -28.193 -19.154 1.00 34.12 C ATOM 6 CG MET A 1 32.103 -26.759 -18.708 1.00 71.35 C ATOM 7 SD MET A 1 33.769 -26.494 -18.069 1.00 74.31 S ATOM 8 CE MET A 1 34.515 -25.599 -19.430 1.00 25.44 C ATOM 0 H1 MET A 1 32.591 -30.810 -18.771 1.00 54.52 H new ATOM 0 H2 MET A 1 31.307 -31.173 -17.720 1.00 54.52 H new ATOM 0 H3 MET A 1 30.986 -30.617 -19.292 1.00 54.52 H new ATOM 0 HA MET A 1 32.453 -29.063 -17.277 1.00 70.23 H new ATOM 0 HB2 MET A 1 32.727 -28.530 -19.734 1.00 34.12 H new ATOM 0 HB3 MET A 1 31.004 -28.222 -19.818 1.00 34.12 H new ATOM 0 HG2 MET A 1 31.930 -26.088 -19.549 1.00 71.35 H new ATOM 0 HG3 MET A 1 31.377 -26.499 -17.938 1.00 71.35 H new ATOM 0 HE1 MET A 1 35.551 -25.362 -19.186 1.00 25.44 H new ATOM 0 HE2 MET A 1 34.486 -26.214 -20.329 1.00 25.44 H new ATOM 0 HE3 MET A 1 33.963 -24.675 -19.604 1.00 25.44 H new ATOM 18 N GLY A 2 29.231 -29.396 -17.784 1.00 60.35 N ATOM 19 CA GLY A 2 27.932 -29.145 -17.189 1.00 71.43 C ATOM 20 C GLY A 2 27.081 -30.396 -17.106 1.00 53.11 C ATOM 21 O GLY A 2 26.834 -31.055 -18.116 1.00 33.22 O ATOM 0 H GLY A 2 29.220 -30.025 -18.587 1.00 60.35 H new ATOM 0 HA2 GLY A 2 28.067 -28.734 -16.188 1.00 71.43 H new ATOM 0 HA3 GLY A 2 27.407 -28.390 -17.775 1.00 71.43 H new ATOM 25 N SER A 3 26.632 -30.725 -15.899 1.00 15.00 N ATOM 26 CA SER A 3 25.808 -31.910 -15.687 1.00 75.01 C ATOM 27 C SER A 3 24.400 -31.520 -15.244 1.00 3.51 C ATOM 28 O SER A 3 24.218 -30.572 -14.480 1.00 45.41 O ATOM 29 CB SER A 3 26.449 -32.823 -14.640 1.00 50.44 C ATOM 30 OG SER A 3 26.610 -32.148 -13.404 1.00 63.40 O ATOM 0 H SER A 3 26.825 -30.188 -15.053 1.00 15.00 H new ATOM 0 HA SER A 3 25.738 -32.447 -16.633 1.00 75.01 H new ATOM 0 HB2 SER A 3 25.829 -33.708 -14.496 1.00 50.44 H new ATOM 0 HB3 SER A 3 27.419 -33.168 -14.999 1.00 50.44 H new ATOM 0 HG SER A 3 27.020 -32.754 -12.752 1.00 63.40 H new ATOM 36 N SER A 4 23.408 -32.259 -15.729 1.00 64.43 N ATOM 37 CA SER A 4 22.017 -31.989 -15.387 1.00 32.33 C ATOM 38 C SER A 4 21.225 -33.289 -15.270 1.00 10.43 C ATOM 39 O SER A 4 21.164 -34.080 -16.211 1.00 25.51 O ATOM 40 CB SER A 4 21.377 -31.083 -16.441 1.00 34.21 C ATOM 41 OG SER A 4 20.143 -30.558 -15.980 1.00 1.12 O ATOM 0 H SER A 4 23.542 -33.049 -16.360 1.00 64.43 H new ATOM 0 HA SER A 4 21.997 -31.482 -14.422 1.00 32.33 H new ATOM 0 HB2 SER A 4 22.056 -30.265 -16.683 1.00 34.21 H new ATOM 0 HB3 SER A 4 21.216 -31.646 -17.360 1.00 34.21 H new ATOM 0 HG SER A 4 19.755 -29.981 -16.670 1.00 1.12 H new ATOM 47 N HIS A 5 20.619 -33.502 -14.106 1.00 4.44 N ATOM 48 CA HIS A 5 19.831 -34.704 -13.863 1.00 72.31 C ATOM 49 C HIS A 5 18.528 -34.668 -14.656 1.00 20.33 C ATOM 50 O HIS A 5 18.219 -33.677 -15.320 1.00 1.25 O ATOM 51 CB HIS A 5 19.529 -34.850 -12.371 1.00 44.11 C ATOM 52 CG HIS A 5 18.790 -33.684 -11.793 1.00 35.10 C ATOM 53 ND1 HIS A 5 17.568 -33.178 -12.083 1.00 23.13 N flip ATOM 54 CD2 HIS A 5 19.304 -32.888 -10.790 1.00 11.51 C flip ATOM 55 CE1 HIS A 5 17.368 -32.099 -11.257 1.00 62.11 C flip ATOM 56 NE2 HIS A 5 18.429 -31.945 -10.487 1.00 71.42 N flip ATOM 0 H HIS A 5 20.659 -32.857 -13.317 1.00 4.44 H new ATOM 0 HA HIS A 5 20.414 -35.564 -14.193 1.00 72.31 H new ATOM 0 HB2 HIS A 5 18.942 -35.755 -12.214 1.00 44.11 H new ATOM 0 HB3 HIS A 5 20.466 -34.980 -11.830 1.00 44.11 H new ATOM 0 HD2 HIS A 5 20.270 -33.016 -10.325 1.00 11.51 H new ATOM 0 HE1 HIS A 5 16.485 -31.477 -11.240 1.00 62.11 H new ATOM 0 HE2 HIS A 5 18.553 -31.221 -9.779 1.00 71.42 H new ATOM 65 N HIS A 6 17.765 -35.756 -14.583 1.00 45.42 N ATOM 66 CA HIS A 6 16.496 -35.848 -15.294 1.00 31.31 C ATOM 67 C HIS A 6 15.407 -35.067 -14.565 1.00 54.34 C ATOM 68 O HIS A 6 15.079 -35.363 -13.416 1.00 0.21 O ATOM 69 CB HIS A 6 16.077 -37.311 -15.444 1.00 55.14 C ATOM 70 CG HIS A 6 14.917 -37.510 -16.371 1.00 71.54 C ATOM 71 ND1 HIS A 6 13.676 -36.971 -16.363 1.00 31.55 N flip ATOM 72 CD2 HIS A 6 14.962 -38.350 -17.463 1.00 73.54 C flip ATOM 73 CE1 HIS A 6 13.000 -37.490 -17.440 1.00 21.45 C flip ATOM 74 NE2 HIS A 6 13.798 -38.319 -18.087 1.00 22.40 N flip ATOM 0 H HIS A 6 18.005 -36.585 -14.039 1.00 45.42 H new ATOM 0 HA HIS A 6 16.630 -35.412 -16.284 1.00 31.31 H new ATOM 0 HB2 HIS A 6 16.927 -37.888 -15.809 1.00 55.14 H new ATOM 0 HB3 HIS A 6 15.820 -37.709 -14.462 1.00 55.14 H new ATOM 0 HD2 HIS A 6 15.815 -38.941 -17.762 1.00 73.54 H new ATOM 0 HE1 HIS A 6 11.981 -37.258 -17.713 1.00 21.45 H new ATOM 0 HE2 HIS A 6 13.557 -38.846 -18.926 1.00 22.40 H new ATOM 83 N HIS A 7 14.850 -34.067 -15.242 1.00 14.24 N ATOM 84 CA HIS A 7 13.797 -33.243 -14.658 1.00 52.31 C ATOM 85 C HIS A 7 12.423 -33.687 -15.148 1.00 21.33 C ATOM 86 O HIS A 7 12.139 -33.654 -16.346 1.00 30.30 O ATOM 87 CB HIS A 7 14.022 -31.770 -15.004 1.00 11.42 C ATOM 88 CG HIS A 7 13.290 -30.825 -14.102 1.00 51.42 C ATOM 89 ND1 HIS A 7 11.915 -30.727 -14.072 1.00 42.24 N ATOM 90 CD2 HIS A 7 13.749 -29.932 -13.193 1.00 63.15 C ATOM 91 CE1 HIS A 7 11.561 -29.813 -13.186 1.00 15.23 C ATOM 92 NE2 HIS A 7 12.655 -29.316 -12.638 1.00 31.14 N ATOM 0 H HIS A 7 15.110 -33.808 -16.194 1.00 14.24 H new ATOM 0 HA HIS A 7 13.834 -33.365 -13.575 1.00 52.31 H new ATOM 0 HB2 HIS A 7 15.089 -31.553 -14.956 1.00 11.42 H new ATOM 0 HB3 HIS A 7 13.707 -31.595 -16.033 1.00 11.42 H new ATOM 0 HD1 HIS A 7 11.272 -31.274 -14.644 1.00 42.24 H new ATOM 0 HD2 HIS A 7 14.784 -29.740 -12.950 1.00 63.15 H new ATOM 0 HE1 HIS A 7 10.548 -29.522 -12.950 1.00 15.23 H new ATOM 101 N HIS A 8 11.574 -34.106 -14.215 1.00 34.52 N ATOM 102 CA HIS A 8 10.229 -34.558 -14.553 1.00 34.13 C ATOM 103 C HIS A 8 9.193 -33.495 -14.200 1.00 72.15 C ATOM 104 O HIS A 8 9.531 -32.438 -13.666 1.00 73.35 O ATOM 105 CB HIS A 8 9.907 -35.862 -13.822 1.00 41.52 C ATOM 106 CG HIS A 8 10.004 -35.752 -12.331 1.00 13.40 C ATOM 107 ND1 HIS A 8 8.963 -35.318 -11.539 1.00 34.51 N ATOM 108 CD2 HIS A 8 11.028 -36.024 -11.487 1.00 62.34 C ATOM 109 CE1 HIS A 8 9.341 -35.327 -10.273 1.00 41.22 C ATOM 110 NE2 HIS A 8 10.590 -35.751 -10.215 1.00 33.23 N ATOM 0 H HIS A 8 11.793 -34.142 -13.220 1.00 34.52 H new ATOM 0 HA HIS A 8 10.192 -34.734 -15.628 1.00 34.13 H new ATOM 0 HB2 HIS A 8 8.899 -36.180 -14.090 1.00 41.52 H new ATOM 0 HB3 HIS A 8 10.589 -36.640 -14.166 1.00 41.52 H new ATOM 0 HD2 HIS A 8 12.007 -36.388 -11.763 1.00 62.34 H new ATOM 0 HE1 HIS A 8 8.732 -35.037 -9.429 1.00 41.22 H new ATOM 0 HE2 HIS A 8 11.140 -35.858 -9.363 1.00 33.23 H new ATOM 119 N HIS A 9 7.931 -33.782 -14.503 1.00 53.22 N ATOM 120 CA HIS A 9 6.846 -32.850 -14.218 1.00 54.31 C ATOM 121 C HIS A 9 5.525 -33.593 -14.032 1.00 45.31 C ATOM 122 O HIS A 9 5.261 -34.588 -14.708 1.00 42.14 O ATOM 123 CB HIS A 9 6.714 -31.827 -15.346 1.00 23.13 C ATOM 124 CG HIS A 9 5.946 -30.601 -14.957 1.00 71.42 C ATOM 125 ND1 HIS A 9 4.625 -30.402 -15.298 1.00 51.24 N ATOM 126 CD2 HIS A 9 6.320 -29.509 -14.251 1.00 5.33 C ATOM 127 CE1 HIS A 9 4.220 -29.239 -14.819 1.00 51.53 C ATOM 128 NE2 HIS A 9 5.230 -28.677 -14.179 1.00 3.11 N ATOM 0 H HIS A 9 7.635 -34.652 -14.946 1.00 53.22 H new ATOM 0 HA HIS A 9 7.083 -32.329 -13.291 1.00 54.31 H new ATOM 0 HB2 HIS A 9 7.710 -31.532 -15.676 1.00 23.13 H new ATOM 0 HB3 HIS A 9 6.223 -32.298 -16.197 1.00 23.13 H new ATOM 0 HD2 HIS A 9 7.295 -29.326 -13.824 1.00 5.33 H new ATOM 0 HE1 HIS A 9 3.231 -28.819 -14.932 1.00 51.53 H new ATOM 0 HE2 HIS A 9 5.204 -27.773 -13.708 1.00 3.11 H new ATOM 137 N HIS A 10 4.702 -33.105 -13.110 1.00 70.13 N ATOM 138 CA HIS A 10 3.409 -33.723 -12.836 1.00 55.43 C ATOM 139 C HIS A 10 2.272 -32.879 -13.404 1.00 74.32 C ATOM 140 O HIS A 10 2.444 -31.692 -13.680 1.00 4.22 O ATOM 141 CB HIS A 10 3.218 -33.908 -11.330 1.00 45.15 C ATOM 142 CG HIS A 10 3.297 -32.630 -10.555 1.00 53.44 C ATOM 143 ND1 HIS A 10 2.256 -31.727 -10.484 1.00 22.13 N ATOM 144 CD2 HIS A 10 4.299 -32.105 -9.811 1.00 40.34 C ATOM 145 CE1 HIS A 10 2.616 -30.702 -9.732 1.00 64.04 C ATOM 146 NE2 HIS A 10 3.851 -30.907 -9.312 1.00 14.41 N ATOM 0 H HIS A 10 4.907 -32.284 -12.540 1.00 70.13 H new ATOM 0 HA HIS A 10 3.391 -34.699 -13.320 1.00 55.43 H new ATOM 0 HB2 HIS A 10 2.249 -34.373 -11.149 1.00 45.15 H new ATOM 0 HB3 HIS A 10 3.977 -34.597 -10.958 1.00 45.15 H new ATOM 0 HD2 HIS A 10 5.270 -32.546 -9.642 1.00 40.34 H new ATOM 0 HE1 HIS A 10 2.004 -29.843 -9.500 1.00 64.04 H new ATOM 0 HE2 HIS A 10 4.386 -30.277 -8.714 1.00 14.41 H new ATOM 155 N SER A 11 1.110 -33.501 -13.578 1.00 21.31 N ATOM 156 CA SER A 11 -0.054 -32.809 -14.118 1.00 22.43 C ATOM 157 C SER A 11 -1.229 -32.885 -13.148 1.00 41.03 C ATOM 158 O SER A 11 -1.816 -31.865 -12.785 1.00 64.01 O ATOM 159 CB SER A 11 -0.452 -33.412 -15.467 1.00 31.11 C ATOM 160 OG SER A 11 -0.504 -34.827 -15.398 1.00 73.03 O ATOM 0 H SER A 11 0.950 -34.483 -13.353 1.00 21.31 H new ATOM 0 HA SER A 11 0.210 -31.761 -14.260 1.00 22.43 H new ATOM 0 HB2 SER A 11 -1.424 -33.024 -15.770 1.00 31.11 H new ATOM 0 HB3 SER A 11 0.264 -33.108 -16.230 1.00 31.11 H new ATOM 0 HG SER A 11 -0.762 -35.188 -16.272 1.00 73.03 H new ATOM 166 N SER A 12 -1.568 -34.101 -12.733 1.00 1.11 N ATOM 167 CA SER A 12 -2.676 -34.312 -11.808 1.00 43.40 C ATOM 168 C SER A 12 -2.289 -33.890 -10.393 1.00 35.52 C ATOM 169 O SER A 12 -1.132 -34.006 -9.993 1.00 44.03 O ATOM 170 CB SER A 12 -3.102 -35.781 -11.816 1.00 62.24 C ATOM 171 OG SER A 12 -2.225 -36.571 -11.032 1.00 63.14 O ATOM 0 H SER A 12 -1.092 -34.955 -13.022 1.00 1.11 H new ATOM 0 HA SER A 12 -3.514 -33.697 -12.136 1.00 43.40 H new ATOM 0 HB2 SER A 12 -4.118 -35.870 -11.432 1.00 62.24 H new ATOM 0 HB3 SER A 12 -3.115 -36.154 -12.840 1.00 62.24 H new ATOM 0 HG SER A 12 -2.520 -37.505 -11.052 1.00 63.14 H new ATOM 177 N GLY A 13 -3.270 -33.401 -9.640 1.00 31.20 N ATOM 178 CA GLY A 13 -3.015 -32.970 -8.278 1.00 1.32 C ATOM 179 C GLY A 13 -4.291 -32.725 -7.498 1.00 3.23 C ATOM 180 O GLY A 13 -5.327 -32.396 -8.076 1.00 31.13 O ATOM 0 H GLY A 13 -4.236 -33.296 -9.949 1.00 31.20 H new ATOM 0 HA2 GLY A 13 -2.420 -33.726 -7.766 1.00 1.32 H new ATOM 0 HA3 GLY A 13 -2.422 -32.056 -8.295 1.00 1.32 H new ATOM 184 N LEU A 14 -4.217 -32.888 -6.181 1.00 72.25 N ATOM 185 CA LEU A 14 -5.377 -32.684 -5.320 1.00 61.31 C ATOM 186 C LEU A 14 -4.971 -32.022 -4.007 1.00 25.44 C ATOM 187 O LEU A 14 -3.792 -31.996 -3.652 1.00 32.31 O ATOM 188 CB LEU A 14 -6.069 -34.018 -5.039 1.00 21.53 C ATOM 189 CG LEU A 14 -5.187 -35.124 -4.458 1.00 41.11 C ATOM 190 CD1 LEU A 14 -5.174 -35.053 -2.939 1.00 22.43 C ATOM 191 CD2 LEU A 14 -5.664 -36.491 -4.927 1.00 70.05 C ATOM 0 H LEU A 14 -3.367 -33.160 -5.687 1.00 72.25 H new ATOM 0 HA LEU A 14 -6.072 -32.024 -5.839 1.00 61.31 H new ATOM 0 HB2 LEU A 14 -6.893 -33.838 -4.349 1.00 21.53 H new ATOM 0 HB3 LEU A 14 -6.506 -34.381 -5.969 1.00 21.53 H new ATOM 0 HG LEU A 14 -4.169 -34.976 -4.817 1.00 41.11 H new ATOM 0 HD11 LEU A 14 -4.541 -35.847 -2.543 1.00 22.43 H new ATOM 0 HD12 LEU A 14 -4.782 -34.086 -2.623 1.00 22.43 H new ATOM 0 HD13 LEU A 14 -6.189 -35.175 -2.560 1.00 22.43 H new ATOM 0 HD21 LEU A 14 -5.024 -37.265 -4.503 1.00 70.05 H new ATOM 0 HD22 LEU A 14 -6.691 -36.650 -4.599 1.00 70.05 H new ATOM 0 HD23 LEU A 14 -5.619 -36.539 -6.015 1.00 70.05 H new ATOM 203 N VAL A 15 -5.954 -31.491 -3.288 1.00 34.30 N ATOM 204 CA VAL A 15 -5.700 -30.834 -2.012 1.00 63.34 C ATOM 205 C VAL A 15 -6.630 -31.363 -0.926 1.00 13.51 C ATOM 206 O VAL A 15 -7.713 -31.881 -1.199 1.00 0.21 O ATOM 207 CB VAL A 15 -5.876 -29.307 -2.124 1.00 2.23 C ATOM 208 CG1 VAL A 15 -4.663 -28.678 -2.793 1.00 61.41 C ATOM 209 CG2 VAL A 15 -7.150 -28.972 -2.884 1.00 11.42 C ATOM 0 H VAL A 15 -6.935 -31.503 -3.568 1.00 34.30 H new ATOM 0 HA VAL A 15 -4.668 -31.056 -1.741 1.00 63.34 H new ATOM 0 HB VAL A 15 -5.962 -28.893 -1.119 1.00 2.23 H new ATOM 0 HG11 VAL A 15 -4.805 -27.600 -2.864 1.00 61.41 H new ATOM 0 HG12 VAL A 15 -3.772 -28.889 -2.202 1.00 61.41 H new ATOM 0 HG13 VAL A 15 -4.542 -29.094 -3.793 1.00 61.41 H new ATOM 0 HG21 VAL A 15 -7.258 -27.890 -2.954 1.00 11.42 H new ATOM 0 HG22 VAL A 15 -7.098 -29.397 -3.887 1.00 11.42 H new ATOM 0 HG23 VAL A 15 -8.008 -29.389 -2.357 1.00 11.42 H new ATOM 219 N PRO A 16 -6.199 -31.230 0.337 1.00 21.14 N ATOM 220 CA PRO A 16 -6.978 -31.689 1.491 1.00 1.22 C ATOM 221 C PRO A 16 -8.224 -30.841 1.724 1.00 44.35 C ATOM 222 O PRO A 16 -8.429 -29.827 1.056 1.00 4.05 O ATOM 223 CB PRO A 16 -6.001 -31.537 2.660 1.00 14.33 C ATOM 224 CG PRO A 16 -5.052 -30.474 2.227 1.00 51.13 C ATOM 225 CD PRO A 16 -4.918 -30.622 0.736 1.00 31.13 C ATOM 0 HA PRO A 16 -7.348 -32.705 1.355 1.00 1.22 H new ATOM 0 HB2 PRO A 16 -6.521 -31.254 3.576 1.00 14.33 H new ATOM 0 HB3 PRO A 16 -5.480 -32.473 2.865 1.00 14.33 H new ATOM 0 HG2 PRO A 16 -5.428 -29.485 2.489 1.00 51.13 H new ATOM 0 HG3 PRO A 16 -4.086 -30.589 2.719 1.00 51.13 H new ATOM 0 HD2 PRO A 16 -4.761 -29.659 0.249 1.00 31.13 H new ATOM 0 HD3 PRO A 16 -4.072 -31.256 0.469 1.00 31.13 H new ATOM 233 N ARG A 17 -9.051 -31.260 2.675 1.00 23.44 N ATOM 234 CA ARG A 17 -10.276 -30.539 2.995 1.00 73.50 C ATOM 235 C ARG A 17 -10.130 -29.771 4.305 1.00 11.45 C ATOM 236 O ARG A 17 -9.317 -30.128 5.158 1.00 30.32 O ATOM 237 CB ARG A 17 -11.455 -31.510 3.090 1.00 32.22 C ATOM 238 CG ARG A 17 -12.002 -31.938 1.738 1.00 21.30 C ATOM 239 CD ARG A 17 -13.248 -32.797 1.888 1.00 72.10 C ATOM 240 NE ARG A 17 -13.967 -32.944 0.625 1.00 70.24 N ATOM 241 CZ ARG A 17 -13.563 -33.732 -0.364 1.00 4.35 C ATOM 242 NH1 ARG A 17 -12.450 -34.443 -0.237 1.00 35.43 N ATOM 243 NH2 ARG A 17 -14.271 -33.813 -1.483 1.00 54.31 N ATOM 0 H ARG A 17 -8.895 -32.096 3.238 1.00 23.44 H new ATOM 0 HA ARG A 17 -10.466 -29.824 2.194 1.00 73.50 H new ATOM 0 HB2 ARG A 17 -11.142 -32.396 3.643 1.00 32.22 H new ATOM 0 HB3 ARG A 17 -12.255 -31.042 3.664 1.00 32.22 H new ATOM 0 HG2 ARG A 17 -12.237 -31.055 1.143 1.00 21.30 H new ATOM 0 HG3 ARG A 17 -11.238 -32.495 1.195 1.00 21.30 H new ATOM 0 HD2 ARG A 17 -12.967 -33.782 2.262 1.00 72.10 H new ATOM 0 HD3 ARG A 17 -13.909 -32.351 2.631 1.00 72.10 H new ATOM 0 HE ARG A 17 -14.827 -32.412 0.496 1.00 70.24 H new ATOM 0 HH11 ARG A 17 -11.903 -34.385 0.622 1.00 35.43 H new ATOM 0 HH12 ARG A 17 -12.142 -35.048 -0.998 1.00 35.43 H new ATOM 0 HH21 ARG A 17 -15.128 -33.269 -1.585 1.00 54.31 H new ATOM 0 HH22 ARG A 17 -13.958 -34.419 -2.241 1.00 54.31 H new ATOM 257 N GLY A 18 -10.922 -28.715 4.458 1.00 44.15 N ATOM 258 CA GLY A 18 -10.864 -27.912 5.665 1.00 32.15 C ATOM 259 C GLY A 18 -11.935 -28.295 6.668 1.00 73.10 C ATOM 260 O GLY A 18 -13.119 -28.041 6.447 1.00 14.33 O ATOM 0 H GLY A 18 -11.603 -28.401 3.767 1.00 44.15 H new ATOM 0 HA2 GLY A 18 -9.882 -28.024 6.126 1.00 32.15 H new ATOM 0 HA3 GLY A 18 -10.975 -26.860 5.403 1.00 32.15 H new ATOM 264 N SER A 19 -11.519 -28.909 7.771 1.00 33.12 N ATOM 265 CA SER A 19 -12.453 -29.332 8.808 1.00 24.12 C ATOM 266 C SER A 19 -11.849 -29.136 10.195 1.00 73.31 C ATOM 267 O SER A 19 -10.777 -29.660 10.499 1.00 70.34 O ATOM 268 CB SER A 19 -12.837 -30.800 8.609 1.00 33.01 C ATOM 269 OG SER A 19 -14.014 -31.121 9.330 1.00 13.24 O ATOM 0 H SER A 19 -10.542 -29.125 7.970 1.00 33.12 H new ATOM 0 HA SER A 19 -13.349 -28.716 8.730 1.00 24.12 H new ATOM 0 HB2 SER A 19 -12.991 -30.998 7.548 1.00 33.01 H new ATOM 0 HB3 SER A 19 -12.019 -31.441 8.938 1.00 33.01 H new ATOM 0 HG SER A 19 -14.239 -32.064 9.185 1.00 13.24 H new ATOM 275 N HIS A 20 -12.546 -28.377 11.035 1.00 15.00 N ATOM 276 CA HIS A 20 -12.080 -28.110 12.391 1.00 21.44 C ATOM 277 C HIS A 20 -12.615 -29.158 13.364 1.00 4.40 C ATOM 278 O HIS A 20 -13.567 -28.905 14.102 1.00 44.01 O ATOM 279 CB HIS A 20 -12.515 -26.715 12.838 1.00 71.44 C ATOM 280 CG HIS A 20 -12.015 -26.339 14.198 1.00 55.45 C ATOM 281 ND1 HIS A 20 -10.925 -26.939 14.793 1.00 62.31 N ATOM 282 CD2 HIS A 20 -12.461 -25.413 15.080 1.00 1.22 C ATOM 283 CE1 HIS A 20 -10.724 -26.402 15.982 1.00 40.10 C ATOM 284 NE2 HIS A 20 -11.642 -25.473 16.181 1.00 50.13 N ATOM 0 H HIS A 20 -13.435 -27.936 10.800 1.00 15.00 H new ATOM 0 HA HIS A 20 -10.991 -28.160 12.391 1.00 21.44 H new ATOM 0 HB2 HIS A 20 -12.158 -25.983 12.114 1.00 71.44 H new ATOM 0 HB3 HIS A 20 -13.604 -26.664 12.833 1.00 71.44 H new ATOM 0 HD2 HIS A 20 -13.303 -24.751 14.943 1.00 1.22 H new ATOM 0 HE1 HIS A 20 -9.942 -26.676 16.675 1.00 40.10 H new ATOM 0 HE2 HIS A 20 -11.729 -24.894 17.017 1.00 50.13 H new ATOM 293 N MET A 21 -11.994 -30.334 13.359 1.00 54.52 N ATOM 294 CA MET A 21 -12.407 -31.419 14.243 1.00 41.23 C ATOM 295 C MET A 21 -11.308 -31.749 15.248 1.00 72.23 C ATOM 296 O MET A 21 -11.530 -31.709 16.458 1.00 1.14 O ATOM 297 CB MET A 21 -12.760 -32.664 13.426 1.00 51.44 C ATOM 298 CG MET A 21 -14.197 -32.679 12.934 1.00 30.32 C ATOM 299 SD MET A 21 -15.374 -33.090 14.237 1.00 3.04 S ATOM 300 CE MET A 21 -15.855 -34.745 13.750 1.00 60.15 C ATOM 0 H MET A 21 -11.205 -30.560 12.754 1.00 54.52 H new ATOM 0 HA MET A 21 -13.290 -31.092 14.792 1.00 41.23 H new ATOM 0 HB2 MET A 21 -12.090 -32.728 12.569 1.00 51.44 H new ATOM 0 HB3 MET A 21 -12.584 -33.551 14.035 1.00 51.44 H new ATOM 0 HG2 MET A 21 -14.445 -31.702 12.521 1.00 30.32 H new ATOM 0 HG3 MET A 21 -14.292 -33.401 12.123 1.00 30.32 H new ATOM 0 HE1 MET A 21 -16.582 -35.137 14.461 1.00 60.15 H new ATOM 0 HE2 MET A 21 -16.299 -34.717 12.755 1.00 60.15 H new ATOM 0 HE3 MET A 21 -14.977 -35.390 13.737 1.00 60.15 H new ATOM 310 N ILE A 22 -10.126 -32.076 14.739 1.00 43.04 N ATOM 311 CA ILE A 22 -8.993 -32.412 15.592 1.00 21.22 C ATOM 312 C ILE A 22 -7.929 -31.321 15.551 1.00 33.25 C ATOM 313 O ILE A 22 -6.788 -31.536 15.960 1.00 71.14 O ATOM 314 CB ILE A 22 -8.355 -33.752 15.178 1.00 75.13 C ATOM 315 CG1 ILE A 22 -7.596 -34.366 16.357 1.00 73.31 C ATOM 316 CG2 ILE A 22 -7.426 -33.551 13.990 1.00 54.24 C ATOM 317 CD1 ILE A 22 -8.493 -34.784 17.501 1.00 61.14 C ATOM 0 H ILE A 22 -9.927 -32.116 13.739 1.00 43.04 H new ATOM 0 HA ILE A 22 -9.379 -32.500 16.608 1.00 21.22 H new ATOM 0 HB ILE A 22 -9.148 -34.440 14.883 1.00 75.13 H new ATOM 0 HG12 ILE A 22 -7.038 -35.235 16.007 1.00 73.31 H new ATOM 0 HG13 ILE A 22 -6.865 -33.645 16.724 1.00 73.31 H new ATOM 0 HG21 ILE A 22 -6.983 -34.506 13.709 1.00 54.24 H new ATOM 0 HG22 ILE A 22 -7.993 -33.152 13.148 1.00 54.24 H new ATOM 0 HG23 ILE A 22 -6.636 -32.850 14.260 1.00 54.24 H new ATOM 0 HD11 ILE A 22 -7.888 -35.210 18.301 1.00 61.14 H new ATOM 0 HD12 ILE A 22 -9.031 -33.914 17.878 1.00 61.14 H new ATOM 0 HD13 ILE A 22 -9.207 -35.529 17.150 1.00 61.14 H new ATOM 329 N SER A 23 -8.312 -30.148 15.056 1.00 72.31 N ATOM 330 CA SER A 23 -7.390 -29.022 14.959 1.00 54.21 C ATOM 331 C SER A 23 -6.152 -29.401 14.153 1.00 11.01 C ATOM 332 O SER A 23 -5.048 -28.931 14.432 1.00 23.50 O ATOM 333 CB SER A 23 -6.980 -28.551 16.356 1.00 4.21 C ATOM 334 OG SER A 23 -6.562 -27.196 16.335 1.00 24.24 O ATOM 0 H SER A 23 -9.254 -29.953 14.716 1.00 72.31 H new ATOM 0 HA SER A 23 -7.901 -28.208 14.444 1.00 54.21 H new ATOM 0 HB2 SER A 23 -7.819 -28.666 17.043 1.00 4.21 H new ATOM 0 HB3 SER A 23 -6.172 -29.178 16.732 1.00 4.21 H new ATOM 0 HG SER A 23 -5.837 -27.087 15.684 1.00 24.24 H new ATOM 340 N LEU A 24 -6.343 -30.255 13.154 1.00 61.11 N ATOM 341 CA LEU A 24 -5.242 -30.699 12.306 1.00 61.31 C ATOM 342 C LEU A 24 -4.478 -29.508 11.737 1.00 60.34 C ATOM 343 O LEU A 24 -3.308 -29.300 12.054 1.00 54.42 O ATOM 344 CB LEU A 24 -5.770 -31.573 11.167 1.00 51.31 C ATOM 345 CG LEU A 24 -4.735 -32.440 10.451 1.00 65.42 C ATOM 346 CD1 LEU A 24 -4.363 -33.642 11.305 1.00 22.01 C ATOM 347 CD2 LEU A 24 -5.261 -32.890 9.095 1.00 54.41 C ATOM 0 H LEU A 24 -7.250 -30.654 12.911 1.00 61.11 H new ATOM 0 HA LEU A 24 -4.558 -31.286 12.919 1.00 61.31 H new ATOM 0 HB2 LEU A 24 -6.547 -32.225 11.566 1.00 51.31 H new ATOM 0 HB3 LEU A 24 -6.245 -30.926 10.430 1.00 51.31 H new ATOM 0 HG LEU A 24 -3.838 -31.842 10.290 1.00 65.42 H new ATOM 0 HD11 LEU A 24 -3.625 -34.248 10.779 1.00 22.01 H new ATOM 0 HD12 LEU A 24 -3.944 -33.300 12.251 1.00 22.01 H new ATOM 0 HD13 LEU A 24 -5.253 -34.241 11.498 1.00 22.01 H new ATOM 0 HD21 LEU A 24 -4.511 -33.506 8.600 1.00 54.41 H new ATOM 0 HD22 LEU A 24 -6.173 -33.470 9.233 1.00 54.41 H new ATOM 0 HD23 LEU A 24 -5.476 -32.016 8.480 1.00 54.41 H new ATOM 359 N SER A 25 -5.150 -28.728 10.896 1.00 20.12 N ATOM 360 CA SER A 25 -4.534 -27.557 10.281 1.00 20.43 C ATOM 361 C SER A 25 -5.339 -26.298 10.586 1.00 41.33 C ATOM 362 O SER A 25 -6.411 -26.361 11.186 1.00 23.14 O ATOM 363 CB SER A 25 -4.421 -27.751 8.768 1.00 73.40 C ATOM 364 OG SER A 25 -3.906 -29.033 8.455 1.00 65.35 O ATOM 0 H SER A 25 -6.121 -28.885 10.625 1.00 20.12 H new ATOM 0 HA SER A 25 -3.535 -27.439 10.700 1.00 20.43 H new ATOM 0 HB2 SER A 25 -5.402 -27.627 8.308 1.00 73.40 H new ATOM 0 HB3 SER A 25 -3.773 -26.983 8.347 1.00 73.40 H new ATOM 0 HG SER A 25 -3.845 -29.132 7.482 1.00 65.35 H new ATOM 370 N GLY A 26 -4.812 -25.151 10.166 1.00 74.54 N ATOM 371 CA GLY A 26 -5.493 -23.891 10.402 1.00 22.15 C ATOM 372 C GLY A 26 -4.542 -22.711 10.414 1.00 13.05 C ATOM 373 O GLY A 26 -4.574 -21.869 9.516 1.00 74.01 O ATOM 0 H GLY A 26 -3.926 -25.072 9.667 1.00 74.54 H new ATOM 0 HA2 GLY A 26 -6.246 -23.739 9.629 1.00 22.15 H new ATOM 0 HA3 GLY A 26 -6.019 -23.939 11.355 1.00 22.15 H new ATOM 377 N LEU A 27 -3.693 -22.648 11.434 1.00 34.11 N ATOM 378 CA LEU A 27 -2.729 -21.561 11.562 1.00 63.32 C ATOM 379 C LEU A 27 -1.618 -21.694 10.524 1.00 22.44 C ATOM 380 O LEU A 27 -0.805 -20.786 10.347 1.00 11.04 O ATOM 381 CB LEU A 27 -2.129 -21.547 12.968 1.00 13.22 C ATOM 382 CG LEU A 27 -0.967 -22.510 13.213 1.00 61.31 C ATOM 383 CD1 LEU A 27 -0.365 -22.283 14.591 1.00 55.34 C ATOM 384 CD2 LEU A 27 -1.429 -23.952 13.063 1.00 20.33 C ATOM 0 H LEU A 27 -3.653 -23.337 12.185 1.00 34.11 H new ATOM 0 HA LEU A 27 -3.253 -20.621 11.389 1.00 63.32 H new ATOM 0 HB2 LEU A 27 -1.787 -20.535 13.185 1.00 13.22 H new ATOM 0 HB3 LEU A 27 -2.921 -21.776 13.681 1.00 13.22 H new ATOM 0 HG LEU A 27 -0.197 -22.316 12.467 1.00 61.31 H new ATOM 0 HD11 LEU A 27 0.460 -22.978 14.746 1.00 55.34 H new ATOM 0 HD12 LEU A 27 0.004 -21.260 14.663 1.00 55.34 H new ATOM 0 HD13 LEU A 27 -1.127 -22.449 15.353 1.00 55.34 H new ATOM 0 HD21 LEU A 27 -0.589 -24.624 13.241 1.00 20.33 H new ATOM 0 HD22 LEU A 27 -2.218 -24.158 13.786 1.00 20.33 H new ATOM 0 HD23 LEU A 27 -1.811 -24.108 12.054 1.00 20.33 H new ATOM 396 N THR A 28 -1.590 -22.833 9.838 1.00 24.01 N ATOM 397 CA THR A 28 -0.580 -23.086 8.818 1.00 60.33 C ATOM 398 C THR A 28 -0.686 -22.079 7.679 1.00 43.43 C ATOM 399 O THR A 28 -1.783 -21.743 7.233 1.00 70.11 O ATOM 400 CB THR A 28 -0.707 -24.509 8.242 1.00 51.02 C ATOM 401 OG1 THR A 28 -2.061 -24.758 7.846 1.00 24.00 O ATOM 402 CG2 THR A 28 -0.273 -25.547 9.266 1.00 73.23 C ATOM 0 H THR A 28 -2.255 -23.595 9.971 1.00 24.01 H new ATOM 0 HA THR A 28 0.391 -22.983 9.302 1.00 60.33 H new ATOM 0 HB THR A 28 -0.055 -24.585 7.372 1.00 51.02 H new ATOM 0 HG1 THR A 28 -2.133 -25.664 7.479 1.00 24.00 H new ATOM 0 HG21 THR A 28 -0.371 -26.544 8.837 1.00 73.23 H new ATOM 0 HG22 THR A 28 0.766 -25.372 9.543 1.00 73.23 H new ATOM 0 HG23 THR A 28 -0.903 -25.469 10.152 1.00 73.23 H new ATOM 410 N SER A 29 0.463 -21.599 7.211 1.00 75.50 N ATOM 411 CA SER A 29 0.499 -20.627 6.125 1.00 54.54 C ATOM 412 C SER A 29 1.937 -20.264 5.767 1.00 12.45 C ATOM 413 O SER A 29 2.790 -20.126 6.645 1.00 72.42 O ATOM 414 CB SER A 29 -0.275 -19.366 6.515 1.00 74.13 C ATOM 415 OG SER A 29 0.090 -18.269 5.695 1.00 52.03 O ATOM 0 H SER A 29 1.380 -21.868 7.567 1.00 75.50 H new ATOM 0 HA SER A 29 0.029 -21.078 5.251 1.00 54.54 H new ATOM 0 HB2 SER A 29 -1.346 -19.550 6.426 1.00 74.13 H new ATOM 0 HB3 SER A 29 -0.079 -19.124 7.560 1.00 74.13 H new ATOM 0 HG SER A 29 -0.420 -17.476 5.963 1.00 52.03 H new ATOM 421 N SER A 30 2.198 -20.111 4.473 1.00 54.52 N ATOM 422 CA SER A 30 3.534 -19.769 3.999 1.00 54.23 C ATOM 423 C SER A 30 3.476 -19.190 2.588 1.00 1.25 C ATOM 424 O SER A 30 2.404 -19.077 1.994 1.00 24.11 O ATOM 425 CB SER A 30 4.438 -21.002 4.021 1.00 31.21 C ATOM 426 OG SER A 30 4.263 -21.741 5.217 1.00 40.42 O ATOM 0 H SER A 30 1.503 -20.218 3.734 1.00 54.52 H new ATOM 0 HA SER A 30 3.948 -19.014 4.667 1.00 54.23 H new ATOM 0 HB2 SER A 30 4.215 -21.636 3.162 1.00 31.21 H new ATOM 0 HB3 SER A 30 5.480 -20.695 3.929 1.00 31.21 H new ATOM 0 HG SER A 30 4.070 -21.127 5.956 1.00 40.42 H new ATOM 432 N VAL A 31 4.639 -18.825 2.058 1.00 42.43 N ATOM 433 CA VAL A 31 4.724 -18.259 0.717 1.00 23.42 C ATOM 434 C VAL A 31 3.531 -17.356 0.426 1.00 65.33 C ATOM 435 O VAL A 31 2.945 -17.416 -0.656 1.00 52.51 O ATOM 436 CB VAL A 31 4.791 -19.364 -0.355 1.00 41.24 C ATOM 437 CG1 VAL A 31 6.060 -20.188 -0.194 1.00 53.11 C ATOM 438 CG2 VAL A 31 3.558 -20.250 -0.284 1.00 62.54 C ATOM 0 H VAL A 31 5.535 -18.911 2.537 1.00 42.43 H new ATOM 0 HA VAL A 31 5.640 -17.670 0.679 1.00 23.42 H new ATOM 0 HB VAL A 31 4.815 -18.892 -1.337 1.00 41.24 H new ATOM 0 HG11 VAL A 31 6.090 -20.963 -0.960 1.00 53.11 H new ATOM 0 HG12 VAL A 31 6.930 -19.540 -0.299 1.00 53.11 H new ATOM 0 HG13 VAL A 31 6.070 -20.652 0.792 1.00 53.11 H new ATOM 0 HG21 VAL A 31 3.622 -21.025 -1.048 1.00 62.54 H new ATOM 0 HG22 VAL A 31 3.500 -20.715 0.700 1.00 62.54 H new ATOM 0 HG23 VAL A 31 2.666 -19.647 -0.453 1.00 62.54 H new ATOM 448 N GLU A 32 3.179 -16.519 1.396 1.00 74.11 N ATOM 449 CA GLU A 32 2.055 -15.603 1.243 1.00 73.15 C ATOM 450 C GLU A 32 2.435 -14.419 0.359 1.00 43.44 C ATOM 451 O GLU A 32 1.574 -13.779 -0.245 1.00 24.40 O ATOM 452 CB GLU A 32 1.585 -15.102 2.611 1.00 24.51 C ATOM 453 CG GLU A 32 2.690 -14.466 3.438 1.00 23.14 C ATOM 454 CD GLU A 32 2.178 -13.871 4.735 1.00 71.35 C ATOM 455 OE1 GLU A 32 1.568 -12.783 4.687 1.00 51.54 O ATOM 456 OE2 GLU A 32 2.387 -14.493 5.797 1.00 51.22 O ATOM 0 H GLU A 32 3.655 -16.456 2.296 1.00 74.11 H new ATOM 0 HA GLU A 32 1.240 -16.146 0.764 1.00 73.15 H new ATOM 0 HB2 GLU A 32 0.786 -14.375 2.467 1.00 24.51 H new ATOM 0 HB3 GLU A 32 1.160 -15.937 3.168 1.00 24.51 H new ATOM 0 HG2 GLU A 32 3.449 -15.216 3.661 1.00 23.14 H new ATOM 0 HG3 GLU A 32 3.175 -13.686 2.851 1.00 23.14 H new ATOM 464 N SER A 33 3.731 -14.131 0.290 1.00 21.30 N ATOM 465 CA SER A 33 4.227 -13.022 -0.515 1.00 51.24 C ATOM 466 C SER A 33 5.117 -13.526 -1.646 1.00 60.43 C ATOM 467 O SER A 33 5.282 -12.857 -2.668 1.00 12.22 O ATOM 468 CB SER A 33 5.004 -12.035 0.360 1.00 63.41 C ATOM 469 OG SER A 33 5.865 -12.717 1.254 1.00 73.11 O ATOM 0 H SER A 33 4.457 -14.651 0.783 1.00 21.30 H new ATOM 0 HA SER A 33 3.369 -12.511 -0.952 1.00 51.24 H new ATOM 0 HB2 SER A 33 5.587 -11.365 -0.272 1.00 63.41 H new ATOM 0 HB3 SER A 33 4.306 -11.416 0.923 1.00 63.41 H new ATOM 0 HG SER A 33 6.352 -12.065 1.801 1.00 73.11 H new ATOM 475 N ASP A 34 5.688 -14.710 -1.458 1.00 21.42 N ATOM 476 CA ASP A 34 6.561 -15.307 -2.462 1.00 50.22 C ATOM 477 C ASP A 34 5.830 -15.467 -3.791 1.00 42.03 C ATOM 478 O ASP A 34 6.450 -15.469 -4.857 1.00 51.32 O ATOM 479 CB ASP A 34 7.074 -16.665 -1.981 1.00 23.13 C ATOM 480 CG ASP A 34 8.106 -17.260 -2.919 1.00 34.23 C ATOM 481 OD1 ASP A 34 8.875 -16.484 -3.525 1.00 64.11 O ATOM 482 OD2 ASP A 34 8.145 -18.502 -3.047 1.00 53.32 O ATOM 0 H ASP A 34 5.562 -15.276 -0.619 1.00 21.42 H new ATOM 0 HA ASP A 34 7.410 -14.640 -2.612 1.00 50.22 H new ATOM 0 HB2 ASP A 34 7.511 -16.554 -0.988 1.00 23.13 H new ATOM 0 HB3 ASP A 34 6.235 -17.354 -1.885 1.00 23.13 H new ATOM 488 N LEU A 35 4.511 -15.603 -3.723 1.00 33.42 N ATOM 489 CA LEU A 35 3.694 -15.766 -4.921 1.00 45.53 C ATOM 490 C LEU A 35 3.180 -14.417 -5.416 1.00 5.13 C ATOM 491 O LEU A 35 2.261 -14.354 -6.232 1.00 35.13 O ATOM 492 CB LEU A 35 2.518 -16.700 -4.637 1.00 71.13 C ATOM 493 CG LEU A 35 1.899 -17.389 -5.855 1.00 4.43 C ATOM 494 CD1 LEU A 35 2.825 -18.476 -6.379 1.00 21.22 C ATOM 495 CD2 LEU A 35 0.537 -17.970 -5.504 1.00 70.14 C ATOM 0 H LEU A 35 3.983 -15.604 -2.850 1.00 33.42 H new ATOM 0 HA LEU A 35 4.318 -16.205 -5.700 1.00 45.53 H new ATOM 0 HB2 LEU A 35 2.851 -17.469 -3.940 1.00 71.13 H new ATOM 0 HB3 LEU A 35 1.739 -16.128 -4.133 1.00 71.13 H new ATOM 0 HG LEU A 35 1.763 -16.645 -6.640 1.00 4.43 H new ATOM 0 HD11 LEU A 35 2.369 -18.956 -7.245 1.00 21.22 H new ATOM 0 HD12 LEU A 35 3.778 -18.034 -6.669 1.00 21.22 H new ATOM 0 HD13 LEU A 35 2.992 -19.219 -5.599 1.00 21.22 H new ATOM 0 HD21 LEU A 35 0.112 -18.456 -6.382 1.00 70.14 H new ATOM 0 HD22 LEU A 35 0.649 -18.701 -4.703 1.00 70.14 H new ATOM 0 HD23 LEU A 35 -0.126 -17.170 -5.175 1.00 70.14 H new ATOM 507 N ASP A 36 3.783 -13.342 -4.920 1.00 14.10 N ATOM 508 CA ASP A 36 3.388 -11.994 -5.314 1.00 32.51 C ATOM 509 C ASP A 36 4.368 -11.417 -6.332 1.00 35.34 C ATOM 510 O ASP A 36 4.010 -10.551 -7.130 1.00 34.55 O ATOM 511 CB ASP A 36 3.311 -11.083 -4.089 1.00 32.44 C ATOM 512 CG ASP A 36 2.666 -9.748 -4.400 1.00 75.04 C ATOM 513 OD1 ASP A 36 1.583 -9.467 -3.843 1.00 71.13 O ATOM 514 OD2 ASP A 36 3.243 -8.982 -5.200 1.00 70.24 O ATOM 0 H ASP A 36 4.547 -13.377 -4.245 1.00 14.10 H new ATOM 0 HA ASP A 36 2.403 -12.051 -5.776 1.00 32.51 H new ATOM 0 HB2 ASP A 36 2.744 -11.583 -3.303 1.00 32.44 H new ATOM 0 HB3 ASP A 36 4.316 -10.916 -3.700 1.00 32.44 H new ATOM 520 N MET A 37 5.604 -11.903 -6.296 1.00 43.22 N ATOM 521 CA MET A 37 6.635 -11.435 -7.216 1.00 20.12 C ATOM 522 C MET A 37 6.240 -11.715 -8.662 1.00 65.11 C ATOM 523 O MET A 37 6.666 -11.012 -9.578 1.00 53.53 O ATOM 524 CB MET A 37 7.972 -12.106 -6.900 1.00 4.12 C ATOM 525 CG MET A 37 9.178 -11.232 -7.205 1.00 4.01 C ATOM 526 SD MET A 37 10.737 -12.015 -6.751 1.00 12.02 S ATOM 527 CE MET A 37 10.786 -13.375 -7.916 1.00 53.55 C ATOM 0 H MET A 37 5.916 -12.620 -5.641 1.00 43.22 H new ATOM 0 HA MET A 37 6.739 -10.357 -7.089 1.00 20.12 H new ATOM 0 HB2 MET A 37 7.991 -12.381 -5.846 1.00 4.12 H new ATOM 0 HB3 MET A 37 8.049 -13.030 -7.472 1.00 4.12 H new ATOM 0 HG2 MET A 37 9.191 -10.996 -8.269 1.00 4.01 H new ATOM 0 HG3 MET A 37 9.081 -10.287 -6.670 1.00 4.01 H new ATOM 0 HE1 MET A 37 11.797 -13.779 -7.961 1.00 53.55 H new ATOM 0 HE2 MET A 37 10.097 -14.156 -7.593 1.00 53.55 H new ATOM 0 HE3 MET A 37 10.493 -13.019 -8.904 1.00 53.55 H new ATOM 537 N GLN A 38 5.427 -12.748 -8.859 1.00 63.54 N ATOM 538 CA GLN A 38 4.978 -13.120 -10.196 1.00 70.31 C ATOM 539 C GLN A 38 3.935 -12.136 -10.714 1.00 51.34 C ATOM 540 O GLN A 38 3.780 -11.960 -11.922 1.00 21.43 O ATOM 541 CB GLN A 38 4.399 -14.536 -10.186 1.00 31.13 C ATOM 542 CG GLN A 38 5.450 -15.624 -10.336 1.00 33.20 C ATOM 543 CD GLN A 38 6.219 -15.874 -9.054 1.00 13.23 C ATOM 544 OE1 GLN A 38 7.276 -15.287 -8.826 1.00 43.31 O ATOM 545 NE2 GLN A 38 5.690 -16.748 -8.206 1.00 70.21 N ATOM 0 H GLN A 38 5.066 -13.341 -8.112 1.00 63.54 H new ATOM 0 HA GLN A 38 5.840 -13.091 -10.862 1.00 70.31 H new ATOM 0 HB2 GLN A 38 3.858 -14.692 -9.253 1.00 31.13 H new ATOM 0 HB3 GLN A 38 3.674 -14.629 -10.995 1.00 31.13 H new ATOM 0 HG2 GLN A 38 4.967 -16.549 -10.652 1.00 33.20 H new ATOM 0 HG3 GLN A 38 6.148 -15.343 -11.125 1.00 33.20 H new ATOM 0 HE21 GLN A 38 4.811 -17.213 -8.435 1.00 70.21 H new ATOM 0 HE22 GLN A 38 6.162 -16.955 -7.326 1.00 70.21 H new ATOM 554 N GLN A 39 3.223 -11.496 -9.792 1.00 74.02 N ATOM 555 CA GLN A 39 2.194 -10.530 -10.157 1.00 75.34 C ATOM 556 C GLN A 39 2.791 -9.374 -10.954 1.00 74.30 C ATOM 557 O GLN A 39 2.091 -8.707 -11.716 1.00 61.41 O ATOM 558 CB GLN A 39 1.499 -9.995 -8.904 1.00 12.01 C ATOM 559 CG GLN A 39 0.720 -11.053 -8.141 1.00 20.35 C ATOM 560 CD GLN A 39 -0.181 -10.462 -7.075 1.00 61.11 C ATOM 561 OE1 GLN A 39 0.354 -9.522 -6.303 1.00 41.01 O flip ATOM 562 NE2 GLN A 39 -1.344 -10.844 -6.945 1.00 72.10 N flip ATOM 0 H GLN A 39 3.340 -11.629 -8.787 1.00 74.02 H new ATOM 0 HA GLN A 39 1.460 -11.038 -10.782 1.00 75.34 H new ATOM 0 HB2 GLN A 39 2.247 -9.559 -8.242 1.00 12.01 H new ATOM 0 HB3 GLN A 39 0.820 -9.192 -9.190 1.00 12.01 H new ATOM 0 HG2 GLN A 39 0.117 -11.630 -8.842 1.00 20.35 H new ATOM 0 HG3 GLN A 39 1.419 -11.748 -7.676 1.00 20.35 H new ATOM 0 HE21 GLN A 39 -1.715 -11.569 -7.560 1.00 72.10 H new ATOM 0 HE22 GLN A 39 -1.937 -10.436 -6.222 1.00 72.10 H new ATOM 571 N ALA A 40 4.086 -9.143 -10.773 1.00 33.05 N ATOM 572 CA ALA A 40 4.777 -8.070 -11.475 1.00 70.45 C ATOM 573 C ALA A 40 4.733 -8.285 -12.985 1.00 0.25 C ATOM 574 O ALA A 40 4.826 -7.334 -13.760 1.00 51.52 O ATOM 575 CB ALA A 40 6.217 -7.965 -10.997 1.00 20.42 C ATOM 0 H ALA A 40 4.679 -9.686 -10.145 1.00 33.05 H new ATOM 0 HA ALA A 40 4.264 -7.135 -11.251 1.00 70.45 H new ATOM 0 HB1 ALA A 40 6.720 -7.159 -11.531 1.00 20.42 H new ATOM 0 HB2 ALA A 40 6.231 -7.756 -9.927 1.00 20.42 H new ATOM 0 HB3 ALA A 40 6.734 -8.905 -11.190 1.00 20.42 H new ATOM 581 N MET A 41 4.593 -9.541 -13.395 1.00 31.30 N ATOM 582 CA MET A 41 4.536 -9.881 -14.812 1.00 10.54 C ATOM 583 C MET A 41 3.188 -9.494 -15.410 1.00 64.30 C ATOM 584 O MET A 41 3.123 -8.912 -16.495 1.00 1.03 O ATOM 585 CB MET A 41 4.785 -11.377 -15.010 1.00 30.12 C ATOM 586 CG MET A 41 6.011 -11.893 -14.272 1.00 11.11 C ATOM 587 SD MET A 41 6.645 -13.430 -14.969 1.00 0.12 S ATOM 588 CE MET A 41 7.443 -12.826 -16.454 1.00 53.33 C ATOM 0 H MET A 41 4.517 -10.340 -12.766 1.00 31.30 H new ATOM 0 HA MET A 41 5.316 -9.320 -15.326 1.00 10.54 H new ATOM 0 HB2 MET A 41 3.909 -11.930 -14.673 1.00 30.12 H new ATOM 0 HB3 MET A 41 4.900 -11.580 -16.075 1.00 30.12 H new ATOM 0 HG2 MET A 41 6.794 -11.135 -14.302 1.00 11.11 H new ATOM 0 HG3 MET A 41 5.759 -12.051 -13.223 1.00 11.11 H new ATOM 0 HE1 MET A 41 7.141 -13.438 -17.304 1.00 53.33 H new ATOM 0 HE2 MET A 41 7.150 -11.791 -16.629 1.00 53.33 H new ATOM 0 HE3 MET A 41 8.525 -12.881 -16.334 1.00 53.33 H new ATOM 598 N LEU A 42 2.115 -9.821 -14.700 1.00 30.21 N ATOM 599 CA LEU A 42 0.766 -9.507 -15.162 1.00 2.44 C ATOM 600 C LEU A 42 0.522 -8.002 -15.147 1.00 65.03 C ATOM 601 O LEU A 42 -0.366 -7.499 -15.837 1.00 3.43 O ATOM 602 CB LEU A 42 -0.271 -10.212 -14.286 1.00 5.04 C ATOM 603 CG LEU A 42 -0.547 -11.679 -14.621 1.00 11.21 C ATOM 604 CD1 LEU A 42 0.707 -12.516 -14.428 1.00 14.24 C ATOM 605 CD2 LEU A 42 -1.686 -12.215 -13.767 1.00 31.43 C ATOM 0 H LEU A 42 2.151 -10.303 -13.802 1.00 30.21 H new ATOM 0 HA LEU A 42 0.668 -9.862 -16.188 1.00 2.44 H new ATOM 0 HB2 LEU A 42 0.058 -10.153 -13.249 1.00 5.04 H new ATOM 0 HB3 LEU A 42 -1.209 -9.662 -14.354 1.00 5.04 H new ATOM 0 HG LEU A 42 -0.843 -11.743 -15.668 1.00 11.21 H new ATOM 0 HD11 LEU A 42 0.491 -13.556 -14.671 1.00 14.24 H new ATOM 0 HD12 LEU A 42 1.496 -12.146 -15.083 1.00 14.24 H new ATOM 0 HD13 LEU A 42 1.035 -12.446 -13.391 1.00 14.24 H new ATOM 0 HD21 LEU A 42 -1.869 -13.260 -14.018 1.00 31.43 H new ATOM 0 HD22 LEU A 42 -1.419 -12.137 -12.713 1.00 31.43 H new ATOM 0 HD23 LEU A 42 -2.588 -11.633 -13.957 1.00 31.43 H new ATOM 617 N THR A 43 1.318 -7.287 -14.358 1.00 52.14 N ATOM 618 CA THR A 43 1.189 -5.838 -14.254 1.00 24.12 C ATOM 619 C THR A 43 2.427 -5.135 -14.801 1.00 34.33 C ATOM 620 O THR A 43 2.939 -4.198 -14.191 1.00 61.21 O ATOM 621 CB THR A 43 0.964 -5.397 -12.796 1.00 32.21 C ATOM 622 OG1 THR A 43 0.795 -3.977 -12.734 1.00 71.44 O ATOM 623 CG2 THR A 43 2.136 -5.812 -11.918 1.00 72.02 C ATOM 0 H THR A 43 2.058 -7.687 -13.782 1.00 52.14 H new ATOM 0 HA THR A 43 0.321 -5.555 -14.849 1.00 24.12 H new ATOM 0 HB THR A 43 0.063 -5.886 -12.427 1.00 32.21 H new ATOM 0 HG1 THR A 43 1.626 -3.536 -13.009 1.00 71.44 H new ATOM 0 HG21 THR A 43 1.955 -5.490 -10.893 1.00 72.02 H new ATOM 0 HG22 THR A 43 2.244 -6.896 -11.944 1.00 72.02 H new ATOM 0 HG23 THR A 43 3.050 -5.348 -12.288 1.00 72.02 H new ATOM 631 N ASN A 44 2.901 -5.594 -15.955 1.00 35.13 N ATOM 632 CA ASN A 44 4.080 -5.009 -16.583 1.00 61.50 C ATOM 633 C ASN A 44 3.933 -3.496 -16.710 1.00 22.41 C ATOM 634 O ASN A 44 3.074 -3.004 -17.443 1.00 53.45 O ATOM 635 CB ASN A 44 4.308 -5.629 -17.963 1.00 3.32 C ATOM 636 CG ASN A 44 5.710 -5.379 -18.484 1.00 21.04 C ATOM 637 OD1 ASN A 44 5.898 -4.707 -19.497 1.00 31.51 O ATOM 638 ND2 ASN A 44 6.704 -5.923 -17.790 1.00 44.15 N ATOM 0 H ASN A 44 2.487 -6.369 -16.474 1.00 35.13 H new ATOM 0 HA ASN A 44 4.942 -5.221 -15.950 1.00 61.50 H new ATOM 0 HB2 ASN A 44 4.129 -6.703 -17.910 1.00 3.32 H new ATOM 0 HB3 ASN A 44 3.583 -5.219 -18.667 1.00 3.32 H new ATOM 0 HD21 ASN A 44 7.669 -5.790 -18.092 1.00 44.15 H new ATOM 0 HD22 ASN A 44 6.502 -6.473 -16.955 1.00 44.15 H new ATOM 645 N LYS A 45 4.778 -2.762 -15.994 1.00 13.03 N ATOM 646 CA LYS A 45 4.745 -1.305 -16.027 1.00 35.52 C ATOM 647 C LYS A 45 4.943 -0.789 -17.448 1.00 3.02 C ATOM 648 O LYS A 45 5.742 -1.333 -18.211 1.00 3.24 O ATOM 649 CB LYS A 45 5.825 -0.729 -15.108 1.00 20.32 C ATOM 650 CG LYS A 45 5.429 -0.709 -13.642 1.00 31.52 C ATOM 651 CD LYS A 45 5.645 -2.065 -12.988 1.00 51.45 C ATOM 652 CE LYS A 45 6.056 -1.920 -11.531 1.00 53.21 C ATOM 653 NZ LYS A 45 7.445 -1.400 -11.396 1.00 11.32 N ATOM 0 H LYS A 45 5.495 -3.153 -15.383 1.00 13.03 H new ATOM 0 HA LYS A 45 3.766 -0.980 -15.675 1.00 35.52 H new ATOM 0 HB2 LYS A 45 6.737 -1.315 -15.221 1.00 20.32 H new ATOM 0 HB3 LYS A 45 6.057 0.287 -15.427 1.00 20.32 H new ATOM 0 HG2 LYS A 45 6.013 0.047 -13.117 1.00 31.52 H new ATOM 0 HG3 LYS A 45 4.381 -0.423 -13.551 1.00 31.52 H new ATOM 0 HD2 LYS A 45 4.729 -2.652 -13.052 1.00 51.45 H new ATOM 0 HD3 LYS A 45 6.414 -2.614 -13.531 1.00 51.45 H new ATOM 0 HE2 LYS A 45 5.365 -1.246 -11.024 1.00 53.21 H new ATOM 0 HE3 LYS A 45 5.980 -2.887 -11.034 1.00 53.21 H new ATOM 0 HZ1 LYS A 45 7.804 -1.612 -10.443 1.00 11.32 H new ATOM 0 HZ2 LYS A 45 8.056 -1.853 -12.105 1.00 11.32 H new ATOM 0 HZ3 LYS A 45 7.446 -0.371 -11.545 1.00 11.32 H new ATOM 667 N ASP A 46 4.214 0.264 -17.798 1.00 52.41 N ATOM 668 CA ASP A 46 4.313 0.856 -19.127 1.00 73.20 C ATOM 669 C ASP A 46 4.042 2.356 -19.076 1.00 54.24 C ATOM 670 O ASP A 46 3.643 2.890 -18.041 1.00 10.22 O ATOM 671 CB ASP A 46 3.328 0.181 -20.083 1.00 71.55 C ATOM 672 CG ASP A 46 3.910 -0.016 -21.470 1.00 54.50 C ATOM 673 OD1 ASP A 46 3.967 -1.174 -21.931 1.00 23.32 O ATOM 674 OD2 ASP A 46 4.306 0.991 -22.094 1.00 70.20 O ATOM 0 H ASP A 46 3.547 0.726 -17.180 1.00 52.41 H new ATOM 0 HA ASP A 46 5.328 0.700 -19.492 1.00 73.20 H new ATOM 0 HB2 ASP A 46 3.034 -0.786 -19.675 1.00 71.55 H new ATOM 0 HB3 ASP A 46 2.423 0.785 -20.154 1.00 71.55 H new ATOM 680 N GLU A 47 4.263 3.032 -20.199 1.00 22.43 N ATOM 681 CA GLU A 47 4.045 4.471 -20.281 1.00 55.20 C ATOM 682 C GLU A 47 2.555 4.799 -20.242 1.00 22.40 C ATOM 683 O GLU A 47 2.132 5.744 -19.577 1.00 51.31 O ATOM 684 CB GLU A 47 4.669 5.033 -21.560 1.00 22.14 C ATOM 685 CG GLU A 47 4.137 4.389 -22.830 1.00 52.31 C ATOM 686 CD GLU A 47 4.861 4.868 -24.073 1.00 33.43 C ATOM 687 OE1 GLU A 47 5.143 4.029 -24.955 1.00 10.41 O ATOM 688 OE2 GLU A 47 5.145 6.081 -24.165 1.00 4.43 O ATOM 0 H GLU A 47 4.593 2.606 -21.065 1.00 22.43 H new ATOM 0 HA GLU A 47 4.524 4.934 -19.418 1.00 55.20 H new ATOM 0 HB2 GLU A 47 4.486 6.107 -21.603 1.00 22.14 H new ATOM 0 HB3 GLU A 47 5.750 4.896 -21.518 1.00 22.14 H new ATOM 0 HG2 GLU A 47 4.234 3.306 -22.752 1.00 52.31 H new ATOM 0 HG3 GLU A 47 3.074 4.608 -22.926 1.00 52.31 H new ATOM 696 N LYS A 48 1.763 4.010 -20.961 1.00 71.05 N ATOM 697 CA LYS A 48 0.320 4.214 -21.010 1.00 62.12 C ATOM 698 C LYS A 48 -0.318 3.907 -19.660 1.00 34.41 C ATOM 699 O LYS A 48 -1.332 4.502 -19.292 1.00 44.41 O ATOM 700 CB LYS A 48 -0.303 3.331 -22.094 1.00 61.43 C ATOM 701 CG LYS A 48 0.110 1.872 -22.002 1.00 61.13 C ATOM 702 CD LYS A 48 -0.773 1.103 -21.035 1.00 23.52 C ATOM 703 CE LYS A 48 -1.189 -0.243 -21.611 1.00 0.31 C ATOM 704 NZ LYS A 48 -0.019 -1.139 -21.825 1.00 65.12 N ATOM 0 H LYS A 48 2.097 3.223 -21.518 1.00 71.05 H new ATOM 0 HA LYS A 48 0.133 5.261 -21.251 1.00 62.12 H new ATOM 0 HB2 LYS A 48 -1.389 3.398 -22.025 1.00 61.43 H new ATOM 0 HB3 LYS A 48 -0.021 3.719 -23.073 1.00 61.43 H new ATOM 0 HG2 LYS A 48 0.054 1.414 -22.990 1.00 61.13 H new ATOM 0 HG3 LYS A 48 1.149 1.807 -21.678 1.00 61.13 H new ATOM 0 HD2 LYS A 48 -0.240 0.950 -20.097 1.00 23.52 H new ATOM 0 HD3 LYS A 48 -1.661 1.692 -20.804 1.00 23.52 H new ATOM 0 HE2 LYS A 48 -1.896 -0.724 -20.936 1.00 0.31 H new ATOM 0 HE3 LYS A 48 -1.707 -0.089 -22.558 1.00 0.31 H new ATOM 0 HZ1 LYS A 48 -0.348 -2.063 -22.170 1.00 65.12 H new ATOM 0 HZ2 LYS A 48 0.620 -0.714 -22.528 1.00 65.12 H new ATOM 0 HZ3 LYS A 48 0.490 -1.266 -20.927 1.00 65.12 H new ATOM 718 N VAL A 49 0.280 2.975 -18.925 1.00 53.22 N ATOM 719 CA VAL A 49 -0.230 2.592 -17.614 1.00 3.55 C ATOM 720 C VAL A 49 -0.247 3.782 -16.661 1.00 21.24 C ATOM 721 O VAL A 49 -1.175 3.941 -15.866 1.00 45.44 O ATOM 722 CB VAL A 49 0.614 1.463 -16.992 1.00 63.20 C ATOM 723 CG1 VAL A 49 0.231 1.251 -15.535 1.00 25.43 C ATOM 724 CG2 VAL A 49 0.451 0.176 -17.788 1.00 11.40 C ATOM 0 H VAL A 49 1.118 2.471 -19.215 1.00 53.22 H new ATOM 0 HA VAL A 49 -1.249 2.235 -17.763 1.00 3.55 H new ATOM 0 HB VAL A 49 1.664 1.755 -17.028 1.00 63.20 H new ATOM 0 HG11 VAL A 49 0.837 0.450 -15.112 1.00 25.43 H new ATOM 0 HG12 VAL A 49 0.404 2.171 -14.976 1.00 25.43 H new ATOM 0 HG13 VAL A 49 -0.823 0.980 -15.472 1.00 25.43 H new ATOM 0 HG21 VAL A 49 1.054 -0.611 -17.335 1.00 11.40 H new ATOM 0 HG22 VAL A 49 -0.597 -0.123 -17.786 1.00 11.40 H new ATOM 0 HG23 VAL A 49 0.779 0.339 -18.815 1.00 11.40 H new ATOM 734 N LEU A 50 0.783 4.616 -16.747 1.00 10.13 N ATOM 735 CA LEU A 50 0.887 5.794 -15.892 1.00 12.34 C ATOM 736 C LEU A 50 -0.358 6.666 -16.014 1.00 31.12 C ATOM 737 O LEU A 50 -0.771 7.317 -15.054 1.00 3.32 O ATOM 738 CB LEU A 50 2.131 6.606 -16.258 1.00 33.24 C ATOM 739 CG LEU A 50 3.448 5.830 -16.306 1.00 31.51 C ATOM 740 CD1 LEU A 50 4.524 6.650 -17.001 1.00 3.23 C ATOM 741 CD2 LEU A 50 3.891 5.443 -14.904 1.00 12.31 C ATOM 0 H LEU A 50 1.558 4.499 -17.400 1.00 10.13 H new ATOM 0 HA LEU A 50 0.972 5.457 -14.859 1.00 12.34 H new ATOM 0 HB2 LEU A 50 1.967 7.065 -17.233 1.00 33.24 H new ATOM 0 HB3 LEU A 50 2.236 7.417 -15.537 1.00 33.24 H new ATOM 0 HG LEU A 50 3.289 4.916 -16.879 1.00 31.51 H new ATOM 0 HD11 LEU A 50 5.454 6.083 -17.026 1.00 3.23 H new ATOM 0 HD12 LEU A 50 4.209 6.875 -18.020 1.00 3.23 H new ATOM 0 HD13 LEU A 50 4.681 7.581 -16.456 1.00 3.23 H new ATOM 0 HD21 LEU A 50 4.830 4.892 -14.958 1.00 12.31 H new ATOM 0 HD22 LEU A 50 4.033 6.343 -14.306 1.00 12.31 H new ATOM 0 HD23 LEU A 50 3.128 4.816 -14.441 1.00 12.31 H new ATOM 753 N LYS A 51 -0.954 6.674 -17.201 1.00 62.21 N ATOM 754 CA LYS A 51 -2.155 7.464 -17.450 1.00 2.35 C ATOM 755 C LYS A 51 -3.212 7.196 -16.384 1.00 11.01 C ATOM 756 O LYS A 51 -3.983 8.085 -16.024 1.00 73.51 O ATOM 757 CB LYS A 51 -2.720 7.147 -18.836 1.00 22.23 C ATOM 758 CG LYS A 51 -1.766 7.472 -19.972 1.00 14.22 C ATOM 759 CD LYS A 51 -1.918 8.912 -20.433 1.00 0.12 C ATOM 760 CE LYS A 51 -0.764 9.335 -21.328 1.00 61.14 C ATOM 761 NZ LYS A 51 -0.990 8.944 -22.747 1.00 22.03 N ATOM 0 H LYS A 51 -0.625 6.142 -18.007 1.00 62.21 H new ATOM 0 HA LYS A 51 -1.882 8.518 -17.409 1.00 2.35 H new ATOM 0 HB2 LYS A 51 -2.977 6.089 -18.881 1.00 22.23 H new ATOM 0 HB3 LYS A 51 -3.645 7.706 -18.978 1.00 22.23 H new ATOM 0 HG2 LYS A 51 -0.740 7.299 -19.647 1.00 14.22 H new ATOM 0 HG3 LYS A 51 -1.953 6.799 -20.809 1.00 14.22 H new ATOM 0 HD2 LYS A 51 -2.858 9.025 -20.972 1.00 0.12 H new ATOM 0 HD3 LYS A 51 -1.967 9.570 -19.565 1.00 0.12 H new ATOM 0 HE2 LYS A 51 -0.633 10.415 -21.265 1.00 61.14 H new ATOM 0 HE3 LYS A 51 0.159 8.881 -20.969 1.00 61.14 H new ATOM 0 HZ1 LYS A 51 -0.181 9.250 -23.325 1.00 22.03 H new ATOM 0 HZ2 LYS A 51 -1.090 7.911 -22.811 1.00 22.03 H new ATOM 0 HZ3 LYS A 51 -1.857 9.398 -23.098 1.00 22.03 H new ATOM 775 N ALA A 52 -3.242 5.966 -15.882 1.00 1.31 N ATOM 776 CA ALA A 52 -4.201 5.583 -14.855 1.00 31.45 C ATOM 777 C ALA A 52 -3.848 6.210 -13.510 1.00 64.34 C ATOM 778 O ALA A 52 -4.714 6.741 -12.815 1.00 12.42 O ATOM 779 CB ALA A 52 -4.266 4.067 -14.731 1.00 11.31 C ATOM 0 H ALA A 52 -2.612 5.217 -16.171 1.00 1.31 H new ATOM 0 HA ALA A 52 -5.181 5.955 -15.153 1.00 31.45 H new ATOM 0 HB1 ALA A 52 -4.987 3.796 -13.960 1.00 11.31 H new ATOM 0 HB2 ALA A 52 -4.575 3.637 -15.684 1.00 11.31 H new ATOM 0 HB3 ALA A 52 -3.283 3.682 -14.461 1.00 11.31 H new ATOM 785 N LEU A 53 -2.571 6.144 -13.150 1.00 40.11 N ATOM 786 CA LEU A 53 -2.102 6.706 -11.888 1.00 31.22 C ATOM 787 C LEU A 53 -2.446 8.189 -11.791 1.00 24.11 C ATOM 788 O LEU A 53 -2.537 8.744 -10.696 1.00 22.34 O ATOM 789 CB LEU A 53 -0.591 6.510 -11.750 1.00 12.31 C ATOM 790 CG LEU A 53 -0.096 5.064 -11.782 1.00 14.10 C ATOM 791 CD1 LEU A 53 1.345 5.004 -12.264 1.00 62.20 C ATOM 792 CD2 LEU A 53 -0.228 4.425 -10.407 1.00 23.35 C ATOM 0 H LEU A 53 -1.842 5.707 -13.714 1.00 40.11 H new ATOM 0 HA LEU A 53 -2.605 6.182 -11.076 1.00 31.22 H new ATOM 0 HB2 LEU A 53 -0.099 7.059 -12.553 1.00 12.31 H new ATOM 0 HB3 LEU A 53 -0.270 6.962 -10.811 1.00 12.31 H new ATOM 0 HG LEU A 53 -0.715 4.503 -12.482 1.00 14.10 H new ATOM 0 HD11 LEU A 53 1.680 3.967 -12.280 1.00 62.20 H new ATOM 0 HD12 LEU A 53 1.410 5.422 -13.268 1.00 62.20 H new ATOM 0 HD13 LEU A 53 1.979 5.580 -11.589 1.00 62.20 H new ATOM 0 HD21 LEU A 53 0.129 3.396 -10.448 1.00 23.35 H new ATOM 0 HD22 LEU A 53 0.366 4.987 -9.686 1.00 23.35 H new ATOM 0 HD23 LEU A 53 -1.274 4.434 -10.100 1.00 23.35 H new ATOM 804 N GLU A 54 -2.636 8.823 -12.943 1.00 43.23 N ATOM 805 CA GLU A 54 -2.971 10.242 -12.987 1.00 14.04 C ATOM 806 C GLU A 54 -4.271 10.518 -12.237 1.00 11.43 C ATOM 807 O GLU A 54 -4.345 11.434 -11.417 1.00 61.24 O ATOM 808 CB GLU A 54 -3.097 10.715 -14.437 1.00 44.41 C ATOM 809 CG GLU A 54 -1.837 10.497 -15.259 1.00 50.45 C ATOM 810 CD GLU A 54 -1.978 10.993 -16.685 1.00 41.02 C ATOM 811 OE1 GLU A 54 -3.128 11.171 -17.139 1.00 32.20 O ATOM 812 OE2 GLU A 54 -0.940 11.201 -17.347 1.00 50.11 O ATOM 0 H GLU A 54 -2.564 8.378 -13.858 1.00 43.23 H new ATOM 0 HA GLU A 54 -2.166 10.793 -12.501 1.00 14.04 H new ATOM 0 HB2 GLU A 54 -3.926 10.189 -14.911 1.00 44.41 H new ATOM 0 HB3 GLU A 54 -3.347 11.776 -14.444 1.00 44.41 H new ATOM 0 HG2 GLU A 54 -1.002 11.010 -14.781 1.00 50.45 H new ATOM 0 HG3 GLU A 54 -1.594 9.434 -15.270 1.00 50.45 H new ATOM 820 N ARG A 55 -5.293 9.719 -12.523 1.00 2.13 N ATOM 821 CA ARG A 55 -6.590 9.876 -11.876 1.00 70.33 C ATOM 822 C ARG A 55 -6.530 9.430 -10.419 1.00 70.14 C ATOM 823 O ARG A 55 -7.221 9.980 -9.561 1.00 11.33 O ATOM 824 CB ARG A 55 -7.657 9.073 -12.623 1.00 60.41 C ATOM 825 CG ARG A 55 -8.952 8.908 -11.845 1.00 4.52 C ATOM 826 CD ARG A 55 -9.526 10.253 -11.428 1.00 52.21 C ATOM 827 NE ARG A 55 -10.904 10.424 -11.881 1.00 0.32 N ATOM 828 CZ ARG A 55 -11.637 11.500 -11.615 1.00 60.22 C ATOM 829 NH1 ARG A 55 -11.126 12.495 -10.903 1.00 65.24 N ATOM 830 NH2 ARG A 55 -12.883 11.582 -12.062 1.00 65.35 N ATOM 0 H ARG A 55 -5.248 8.956 -13.199 1.00 2.13 H new ATOM 0 HA ARG A 55 -6.855 10.933 -11.903 1.00 70.33 H new ATOM 0 HB2 ARG A 55 -7.873 9.566 -13.571 1.00 60.41 H new ATOM 0 HB3 ARG A 55 -7.258 8.087 -12.860 1.00 60.41 H new ATOM 0 HG2 ARG A 55 -9.680 8.374 -12.456 1.00 4.52 H new ATOM 0 HG3 ARG A 55 -8.771 8.298 -10.960 1.00 4.52 H new ATOM 0 HD2 ARG A 55 -9.488 10.343 -10.342 1.00 52.21 H new ATOM 0 HD3 ARG A 55 -8.908 11.053 -11.836 1.00 52.21 H new ATOM 0 HE ARG A 55 -11.327 9.677 -12.432 1.00 0.32 H new ATOM 0 HH11 ARG A 55 -10.168 12.436 -10.558 1.00 65.24 H new ATOM 0 HH12 ARG A 55 -11.691 13.320 -10.700 1.00 65.24 H new ATOM 0 HH21 ARG A 55 -13.279 10.819 -12.610 1.00 65.35 H new ATOM 0 HH22 ARG A 55 -13.445 12.408 -11.857 1.00 65.35 H new ATOM 844 N THR A 56 -5.700 8.428 -10.146 1.00 42.34 N ATOM 845 CA THR A 56 -5.551 7.907 -8.793 1.00 23.35 C ATOM 846 C THR A 56 -4.814 8.898 -7.900 1.00 34.22 C ATOM 847 O THR A 56 -5.151 9.059 -6.727 1.00 13.45 O ATOM 848 CB THR A 56 -4.791 6.566 -8.790 1.00 14.34 C ATOM 849 OG1 THR A 56 -3.383 6.801 -8.895 1.00 22.43 O ATOM 850 CG2 THR A 56 -5.251 5.680 -9.937 1.00 1.34 C ATOM 0 H THR A 56 -5.121 7.961 -10.844 1.00 42.34 H new ATOM 0 HA THR A 56 -6.556 7.749 -8.402 1.00 23.35 H new ATOM 0 HB THR A 56 -5.004 6.055 -7.851 1.00 14.34 H new ATOM 0 HG1 THR A 56 -3.218 7.513 -9.547 1.00 22.43 H new ATOM 0 HG21 THR A 56 -4.700 4.740 -9.914 1.00 1.34 H new ATOM 0 HG22 THR A 56 -6.317 5.479 -9.836 1.00 1.34 H new ATOM 0 HG23 THR A 56 -5.065 6.186 -10.885 1.00 1.34 H new ATOM 858 N ARG A 57 -3.808 9.560 -8.462 1.00 2.24 N ATOM 859 CA ARG A 57 -3.024 10.535 -7.714 1.00 23.40 C ATOM 860 C ARG A 57 -3.927 11.593 -7.087 1.00 22.13 C ATOM 861 O ARG A 57 -3.676 12.054 -5.974 1.00 34.12 O ATOM 862 CB ARG A 57 -1.996 11.204 -8.630 1.00 74.32 C ATOM 863 CG ARG A 57 -0.728 10.388 -8.822 1.00 74.43 C ATOM 864 CD ARG A 57 0.177 11.005 -9.876 1.00 13.51 C ATOM 865 NE ARG A 57 -0.018 10.397 -11.189 1.00 74.03 N ATOM 866 CZ ARG A 57 0.888 10.438 -12.160 1.00 42.33 C ATOM 867 NH1 ARG A 57 2.046 11.054 -11.965 1.00 72.32 N ATOM 868 NH2 ARG A 57 0.637 9.861 -13.328 1.00 13.13 N ATOM 0 H ARG A 57 -3.517 9.439 -9.432 1.00 2.24 H new ATOM 0 HA ARG A 57 -2.502 10.009 -6.915 1.00 23.40 H new ATOM 0 HB2 ARG A 57 -2.452 11.385 -9.603 1.00 74.32 H new ATOM 0 HB3 ARG A 57 -1.732 12.177 -8.216 1.00 74.32 H new ATOM 0 HG2 ARG A 57 -0.192 10.319 -7.876 1.00 74.43 H new ATOM 0 HG3 ARG A 57 -0.989 9.371 -9.115 1.00 74.43 H new ATOM 0 HD2 ARG A 57 -0.018 12.075 -9.940 1.00 13.51 H new ATOM 0 HD3 ARG A 57 1.218 10.888 -9.573 1.00 13.51 H new ATOM 0 HE ARG A 57 -0.898 9.914 -11.371 1.00 74.03 H new ATOM 0 HH11 ARG A 57 2.243 11.498 -11.068 1.00 72.32 H new ATOM 0 HH12 ARG A 57 2.740 11.084 -12.712 1.00 72.32 H new ATOM 0 HH21 ARG A 57 -0.252 9.385 -13.481 1.00 13.13 H new ATOM 0 HH22 ARG A 57 1.333 9.893 -14.073 1.00 13.13 H new ATOM 882 N GLN A 58 -4.976 11.972 -7.809 1.00 23.40 N ATOM 883 CA GLN A 58 -5.915 12.976 -7.323 1.00 22.13 C ATOM 884 C GLN A 58 -6.654 12.477 -6.086 1.00 3.03 C ATOM 885 O GLN A 58 -6.991 13.257 -5.194 1.00 75.41 O ATOM 886 CB GLN A 58 -6.918 13.339 -8.418 1.00 71.22 C ATOM 887 CG GLN A 58 -6.268 13.704 -9.743 1.00 60.02 C ATOM 888 CD GLN A 58 -4.905 14.344 -9.566 1.00 44.44 C ATOM 889 OE1 GLN A 58 -4.799 15.526 -9.238 1.00 41.40 O ATOM 890 NE2 GLN A 58 -3.852 13.565 -9.785 1.00 10.02 N ATOM 0 H GLN A 58 -5.197 11.599 -8.732 1.00 23.40 H new ATOM 0 HA GLN A 58 -5.347 13.866 -7.050 1.00 22.13 H new ATOM 0 HB2 GLN A 58 -7.593 12.498 -8.574 1.00 71.22 H new ATOM 0 HB3 GLN A 58 -7.526 14.177 -8.078 1.00 71.22 H new ATOM 0 HG2 GLN A 58 -6.168 12.807 -10.354 1.00 60.02 H new ATOM 0 HG3 GLN A 58 -6.919 14.389 -10.287 1.00 60.02 H new ATOM 0 HE21 GLN A 58 -3.986 12.591 -10.055 1.00 10.02 H new ATOM 0 HE22 GLN A 58 -2.909 13.941 -9.683 1.00 10.02 H new ATOM 899 N LEU A 59 -6.902 11.172 -6.037 1.00 44.33 N ATOM 900 CA LEU A 59 -7.601 10.569 -4.908 1.00 22.54 C ATOM 901 C LEU A 59 -6.614 10.098 -3.845 1.00 72.43 C ATOM 902 O LEU A 59 -7.005 9.496 -2.844 1.00 62.32 O ATOM 903 CB LEU A 59 -8.456 9.392 -5.384 1.00 2.22 C ATOM 904 CG LEU A 59 -8.851 9.403 -6.861 1.00 35.41 C ATOM 905 CD1 LEU A 59 -9.644 8.153 -7.210 1.00 24.42 C ATOM 906 CD2 LEU A 59 -9.653 10.653 -7.188 1.00 41.44 C ATOM 0 H LEU A 59 -6.629 10.512 -6.766 1.00 44.33 H new ATOM 0 HA LEU A 59 -8.248 11.326 -4.466 1.00 22.54 H new ATOM 0 HB2 LEU A 59 -7.913 8.469 -5.181 1.00 2.22 H new ATOM 0 HB3 LEU A 59 -9.366 9.365 -4.785 1.00 2.22 H new ATOM 0 HG LEU A 59 -7.941 9.411 -7.461 1.00 35.41 H new ATOM 0 HD11 LEU A 59 -9.917 8.178 -8.265 1.00 24.42 H new ATOM 0 HD12 LEU A 59 -9.036 7.270 -7.013 1.00 24.42 H new ATOM 0 HD13 LEU A 59 -10.548 8.114 -6.602 1.00 24.42 H new ATOM 0 HD21 LEU A 59 -9.926 10.645 -8.243 1.00 41.44 H new ATOM 0 HD22 LEU A 59 -10.557 10.675 -6.580 1.00 41.44 H new ATOM 0 HD23 LEU A 59 -9.052 11.537 -6.976 1.00 41.44 H new ATOM 918 N ASP A 60 -5.335 10.378 -4.067 1.00 54.13 N ATOM 919 CA ASP A 60 -4.292 9.987 -3.127 1.00 14.14 C ATOM 920 C ASP A 60 -4.198 8.468 -3.019 1.00 20.11 C ATOM 921 O ASP A 60 -4.609 7.880 -2.018 1.00 71.05 O ATOM 922 CB ASP A 60 -4.566 10.591 -1.748 1.00 44.44 C ATOM 923 CG ASP A 60 -5.008 12.040 -1.828 1.00 22.11 C ATOM 924 OD1 ASP A 60 -4.287 12.846 -2.452 1.00 12.40 O ATOM 925 OD2 ASP A 60 -6.075 12.365 -1.269 1.00 12.23 O ATOM 0 H ASP A 60 -4.995 10.875 -4.891 1.00 54.13 H new ATOM 0 HA ASP A 60 -3.341 10.367 -3.500 1.00 14.14 H new ATOM 0 HB2 ASP A 60 -5.336 10.006 -1.245 1.00 44.44 H new ATOM 0 HB3 ASP A 60 -3.665 10.522 -1.139 1.00 44.44 H new ATOM 931 N ILE A 61 -3.656 7.840 -4.057 1.00 0.42 N ATOM 932 CA ILE A 61 -3.509 6.390 -4.080 1.00 12.24 C ATOM 933 C ILE A 61 -2.105 5.987 -4.517 1.00 64.30 C ATOM 934 O ILE A 61 -1.587 6.450 -5.534 1.00 33.21 O ATOM 935 CB ILE A 61 -4.536 5.734 -5.021 1.00 22.03 C ATOM 936 CG1 ILE A 61 -5.917 6.364 -4.823 1.00 4.20 C ATOM 937 CG2 ILE A 61 -4.594 4.233 -4.778 1.00 64.12 C ATOM 938 CD1 ILE A 61 -6.948 5.885 -5.820 1.00 23.24 C ATOM 0 H ILE A 61 -3.312 8.312 -4.893 1.00 0.42 H new ATOM 0 HA ILE A 61 -3.685 6.039 -3.063 1.00 12.24 H new ATOM 0 HB ILE A 61 -4.223 5.904 -6.051 1.00 22.03 H new ATOM 0 HG12 ILE A 61 -6.268 6.142 -3.815 1.00 4.20 H new ATOM 0 HG13 ILE A 61 -5.827 7.448 -4.898 1.00 4.20 H new ATOM 0 HG21 ILE A 61 -5.324 3.783 -5.451 1.00 64.12 H new ATOM 0 HG22 ILE A 61 -3.613 3.796 -4.964 1.00 64.12 H new ATOM 0 HG23 ILE A 61 -4.886 4.043 -3.745 1.00 64.12 H new ATOM 0 HD11 ILE A 61 -7.902 6.373 -5.620 1.00 23.24 H new ATOM 0 HD12 ILE A 61 -6.620 6.131 -6.830 1.00 23.24 H new ATOM 0 HD13 ILE A 61 -7.067 4.805 -5.730 1.00 23.24 H new ATOM 950 N PRO A 62 -1.472 5.101 -3.733 1.00 61.23 N ATOM 951 CA PRO A 62 -0.119 4.613 -4.021 1.00 74.04 C ATOM 952 C PRO A 62 -0.079 3.706 -5.246 1.00 14.03 C ATOM 953 O PRO A 62 -0.933 2.834 -5.413 1.00 63.35 O ATOM 954 CB PRO A 62 0.250 3.827 -2.761 1.00 61.02 C ATOM 955 CG PRO A 62 -1.057 3.407 -2.180 1.00 23.14 C ATOM 956 CD PRO A 62 -2.028 4.507 -2.506 1.00 44.51 C ATOM 0 HA PRO A 62 0.569 5.428 -4.248 1.00 74.04 H new ATOM 0 HB2 PRO A 62 0.872 2.965 -3.000 1.00 61.02 H new ATOM 0 HB3 PRO A 62 0.815 4.443 -2.061 1.00 61.02 H new ATOM 0 HG2 PRO A 62 -1.386 2.458 -2.604 1.00 23.14 H new ATOM 0 HG3 PRO A 62 -0.977 3.264 -1.102 1.00 23.14 H new ATOM 0 HD2 PRO A 62 -3.034 4.120 -2.667 1.00 44.51 H new ATOM 0 HD3 PRO A 62 -2.093 5.238 -1.700 1.00 44.51 H new ATOM 964 N ASP A 63 0.917 3.916 -6.099 1.00 24.32 N ATOM 965 CA ASP A 63 1.070 3.115 -7.308 1.00 64.44 C ATOM 966 C ASP A 63 1.256 1.640 -6.964 1.00 33.12 C ATOM 967 O ASP A 63 1.081 0.768 -7.814 1.00 2.20 O ATOM 968 CB ASP A 63 2.260 3.614 -8.129 1.00 32.40 C ATOM 969 CG ASP A 63 3.445 3.991 -7.262 1.00 74.11 C ATOM 970 OD1 ASP A 63 3.886 3.143 -6.459 1.00 21.12 O ATOM 971 OD2 ASP A 63 3.931 5.134 -7.387 1.00 74.14 O ATOM 0 H ASP A 63 1.631 4.634 -5.976 1.00 24.32 H new ATOM 0 HA ASP A 63 0.161 3.219 -7.900 1.00 64.44 H new ATOM 0 HB2 ASP A 63 2.561 2.839 -8.834 1.00 32.40 H new ATOM 0 HB3 ASP A 63 1.954 4.479 -8.717 1.00 32.40 H new ATOM 977 N GLU A 64 1.613 1.371 -5.712 1.00 2.31 N ATOM 978 CA GLU A 64 1.825 0.001 -5.257 1.00 41.11 C ATOM 979 C GLU A 64 0.518 -0.786 -5.274 1.00 21.51 C ATOM 980 O GLU A 64 0.476 -1.933 -5.721 1.00 4.11 O ATOM 981 CB GLU A 64 2.418 -0.004 -3.846 1.00 34.31 C ATOM 982 CG GLU A 64 3.635 0.892 -3.694 1.00 11.31 C ATOM 983 CD GLU A 64 4.851 0.354 -4.422 1.00 23.42 C ATOM 984 OE1 GLU A 64 5.856 0.043 -3.749 1.00 5.20 O ATOM 985 OE2 GLU A 64 4.797 0.242 -5.666 1.00 14.54 O ATOM 0 H GLU A 64 1.761 2.082 -4.996 1.00 2.31 H new ATOM 0 HA GLU A 64 2.526 -0.478 -5.940 1.00 41.11 H new ATOM 0 HB2 GLU A 64 1.653 0.314 -3.138 1.00 34.31 H new ATOM 0 HB3 GLU A 64 2.693 -1.025 -3.580 1.00 34.31 H new ATOM 0 HG2 GLU A 64 3.399 1.886 -4.074 1.00 11.31 H new ATOM 0 HG3 GLU A 64 3.870 1.003 -2.635 1.00 11.31 H new ATOM 993 N LYS A 65 -0.548 -0.163 -4.785 1.00 71.32 N ATOM 994 CA LYS A 65 -1.857 -0.802 -4.744 1.00 21.55 C ATOM 995 C LYS A 65 -2.628 -0.548 -6.035 1.00 74.10 C ATOM 996 O LYS A 65 -3.466 -1.355 -6.441 1.00 42.35 O ATOM 997 CB LYS A 65 -2.662 -0.290 -3.547 1.00 3.22 C ATOM 998 CG LYS A 65 -3.406 1.005 -3.824 1.00 12.11 C ATOM 999 CD LYS A 65 -3.910 1.644 -2.541 1.00 32.11 C ATOM 1000 CE LYS A 65 -4.963 0.779 -1.864 1.00 43.52 C ATOM 1001 NZ LYS A 65 -5.206 1.201 -0.457 1.00 0.30 N ATOM 0 H LYS A 65 -0.531 0.786 -4.411 1.00 71.32 H new ATOM 0 HA LYS A 65 -1.705 -1.876 -4.638 1.00 21.55 H new ATOM 0 HB2 LYS A 65 -3.379 -1.055 -3.248 1.00 3.22 H new ATOM 0 HB3 LYS A 65 -1.988 -0.139 -2.704 1.00 3.22 H new ATOM 0 HG2 LYS A 65 -2.747 1.701 -4.343 1.00 12.11 H new ATOM 0 HG3 LYS A 65 -4.247 0.807 -4.488 1.00 12.11 H new ATOM 0 HD2 LYS A 65 -3.074 1.802 -1.859 1.00 32.11 H new ATOM 0 HD3 LYS A 65 -4.331 2.625 -2.763 1.00 32.11 H new ATOM 0 HE2 LYS A 65 -5.895 0.835 -2.426 1.00 43.52 H new ATOM 0 HE3 LYS A 65 -4.643 -0.263 -1.881 1.00 43.52 H new ATOM 0 HZ1 LYS A 65 -5.555 0.390 0.093 1.00 0.30 H new ATOM 0 HZ2 LYS A 65 -4.318 1.546 -0.040 1.00 0.30 H new ATOM 0 HZ3 LYS A 65 -5.915 1.962 -0.440 1.00 0.30 H new ATOM 1015 N THR A 66 -2.340 0.579 -6.678 1.00 61.12 N ATOM 1016 CA THR A 66 -3.006 0.941 -7.924 1.00 11.25 C ATOM 1017 C THR A 66 -2.487 0.104 -9.087 1.00 65.34 C ATOM 1018 O THR A 66 -3.217 -0.172 -10.039 1.00 43.22 O ATOM 1019 CB THR A 66 -2.811 2.433 -8.252 1.00 54.42 C ATOM 1020 OG1 THR A 66 -3.402 3.241 -7.228 1.00 12.00 O ATOM 1021 CG2 THR A 66 -3.433 2.776 -9.597 1.00 40.14 C ATOM 0 H THR A 66 -1.650 1.258 -6.357 1.00 61.12 H new ATOM 0 HA THR A 66 -4.069 0.744 -7.784 1.00 11.25 H new ATOM 0 HB THR A 66 -1.741 2.635 -8.301 1.00 54.42 H new ATOM 0 HG1 THR A 66 -3.272 4.188 -7.443 1.00 12.00 H new ATOM 0 HG21 THR A 66 -3.283 3.835 -9.808 1.00 40.14 H new ATOM 0 HG22 THR A 66 -2.961 2.180 -10.378 1.00 40.14 H new ATOM 0 HG23 THR A 66 -4.501 2.559 -9.570 1.00 40.14 H new ATOM 1029 N MET A 67 -1.223 -0.298 -9.003 1.00 62.33 N ATOM 1030 CA MET A 67 -0.607 -1.105 -10.051 1.00 30.11 C ATOM 1031 C MET A 67 -1.488 -2.299 -10.404 1.00 3.12 C ATOM 1032 O MET A 67 -1.919 -2.467 -11.545 1.00 71.22 O ATOM 1033 CB MET A 67 0.774 -1.589 -9.605 1.00 24.32 C ATOM 1034 CG MET A 67 1.920 -0.800 -10.216 1.00 52.41 C ATOM 1035 SD MET A 67 2.435 -1.449 -11.817 1.00 22.14 S ATOM 1036 CE MET A 67 1.322 -0.572 -12.912 1.00 34.04 C ATOM 0 H MET A 67 -0.606 -0.079 -8.221 1.00 62.33 H new ATOM 0 HA MET A 67 -0.496 -0.482 -10.939 1.00 30.11 H new ATOM 0 HB2 MET A 67 0.839 -1.526 -8.519 1.00 24.32 H new ATOM 0 HB3 MET A 67 0.885 -2.640 -9.871 1.00 24.32 H new ATOM 0 HG2 MET A 67 1.619 0.241 -10.330 1.00 52.41 H new ATOM 0 HG3 MET A 67 2.769 -0.813 -9.533 1.00 52.41 H new ATOM 0 HE1 MET A 67 1.735 -0.564 -13.921 1.00 34.04 H new ATOM 0 HE2 MET A 67 0.353 -1.071 -12.921 1.00 34.04 H new ATOM 0 HE3 MET A 67 1.199 0.453 -12.562 1.00 34.04 H new ATOM 1046 N PRO A 68 -1.762 -3.150 -9.404 1.00 33.43 N ATOM 1047 CA PRO A 68 -2.594 -4.344 -9.586 1.00 52.10 C ATOM 1048 C PRO A 68 -4.060 -3.998 -9.825 1.00 5.14 C ATOM 1049 O PRO A 68 -4.848 -4.847 -10.241 1.00 74.33 O ATOM 1050 CB PRO A 68 -2.430 -5.095 -8.263 1.00 13.00 C ATOM 1051 CG PRO A 68 -2.082 -4.041 -7.269 1.00 72.54 C ATOM 1052 CD PRO A 68 -1.282 -3.013 -8.019 1.00 3.40 C ATOM 0 HA PRO A 68 -2.293 -4.922 -10.460 1.00 52.10 H new ATOM 0 HB2 PRO A 68 -3.348 -5.613 -7.986 1.00 13.00 H new ATOM 0 HB3 PRO A 68 -1.646 -5.849 -8.331 1.00 13.00 H new ATOM 0 HG2 PRO A 68 -2.980 -3.599 -6.839 1.00 72.54 H new ATOM 0 HG3 PRO A 68 -1.505 -4.458 -6.443 1.00 72.54 H new ATOM 0 HD2 PRO A 68 -1.454 -2.009 -7.632 1.00 3.40 H new ATOM 0 HD3 PRO A 68 -0.211 -3.204 -7.944 1.00 3.40 H new ATOM 1060 N VAL A 69 -4.419 -2.746 -9.559 1.00 3.24 N ATOM 1061 CA VAL A 69 -5.790 -2.287 -9.746 1.00 21.41 C ATOM 1062 C VAL A 69 -6.061 -1.950 -11.207 1.00 71.12 C ATOM 1063 O VAL A 69 -6.983 -2.491 -11.820 1.00 22.43 O ATOM 1064 CB VAL A 69 -6.091 -1.050 -8.880 1.00 14.13 C ATOM 1065 CG1 VAL A 69 -7.390 -0.393 -9.321 1.00 43.05 C ATOM 1066 CG2 VAL A 69 -6.150 -1.431 -7.409 1.00 35.35 C ATOM 0 H VAL A 69 -3.779 -2.031 -9.213 1.00 3.24 H new ATOM 0 HA VAL A 69 -6.443 -3.104 -9.437 1.00 21.41 H new ATOM 0 HB VAL A 69 -5.284 -0.330 -9.013 1.00 14.13 H new ATOM 0 HG11 VAL A 69 -7.586 0.479 -8.698 1.00 43.05 H new ATOM 0 HG12 VAL A 69 -7.306 -0.083 -10.363 1.00 43.05 H new ATOM 0 HG13 VAL A 69 -8.210 -1.104 -9.219 1.00 43.05 H new ATOM 0 HG21 VAL A 69 -6.364 -0.545 -6.812 1.00 35.35 H new ATOM 0 HG22 VAL A 69 -6.937 -2.170 -7.256 1.00 35.35 H new ATOM 0 HG23 VAL A 69 -5.192 -1.852 -7.104 1.00 35.35 H new ATOM 1076 N LEU A 70 -5.253 -1.053 -11.762 1.00 75.41 N ATOM 1077 CA LEU A 70 -5.406 -0.643 -13.154 1.00 14.51 C ATOM 1078 C LEU A 70 -5.223 -1.829 -14.094 1.00 74.52 C ATOM 1079 O LEU A 70 -5.981 -1.999 -15.049 1.00 43.14 O ATOM 1080 CB LEU A 70 -4.397 0.454 -13.495 1.00 44.24 C ATOM 1081 CG LEU A 70 -2.924 0.044 -13.468 1.00 52.51 C ATOM 1082 CD1 LEU A 70 -2.464 -0.388 -14.850 1.00 25.51 C ATOM 1083 CD2 LEU A 70 -2.062 1.185 -12.949 1.00 51.33 C ATOM 0 H LEU A 70 -4.486 -0.596 -11.270 1.00 75.41 H new ATOM 0 HA LEU A 70 -6.416 -0.253 -13.284 1.00 14.51 H new ATOM 0 HB2 LEU A 70 -4.629 0.836 -14.489 1.00 44.24 H new ATOM 0 HB3 LEU A 70 -4.537 1.278 -12.796 1.00 44.24 H new ATOM 0 HG LEU A 70 -2.816 -0.803 -12.791 1.00 52.51 H new ATOM 0 HD11 LEU A 70 -1.413 -0.676 -14.810 1.00 25.51 H new ATOM 0 HD12 LEU A 70 -3.061 -1.237 -15.183 1.00 25.51 H new ATOM 0 HD13 LEU A 70 -2.587 0.439 -15.549 1.00 25.51 H new ATOM 0 HD21 LEU A 70 -1.017 0.875 -12.937 1.00 51.33 H new ATOM 0 HD22 LEU A 70 -2.176 2.052 -13.600 1.00 51.33 H new ATOM 0 HD23 LEU A 70 -2.375 1.447 -11.938 1.00 51.33 H new ATOM 1095 N MET A 71 -4.215 -2.649 -13.816 1.00 13.44 N ATOM 1096 CA MET A 71 -3.936 -3.822 -14.635 1.00 21.42 C ATOM 1097 C MET A 71 -5.118 -4.785 -14.627 1.00 15.22 C ATOM 1098 O MET A 71 -5.284 -5.590 -15.544 1.00 71.33 O ATOM 1099 CB MET A 71 -2.679 -4.535 -14.131 1.00 31.30 C ATOM 1100 CG MET A 71 -2.935 -5.454 -12.948 1.00 13.44 C ATOM 1101 SD MET A 71 -3.208 -7.166 -13.444 1.00 52.31 S ATOM 1102 CE MET A 71 -2.357 -8.039 -12.132 1.00 73.42 C ATOM 0 H MET A 71 -3.578 -2.523 -13.030 1.00 13.44 H new ATOM 0 HA MET A 71 -3.770 -3.488 -15.659 1.00 21.42 H new ATOM 0 HB2 MET A 71 -2.250 -5.117 -14.947 1.00 31.30 H new ATOM 0 HB3 MET A 71 -1.937 -3.789 -13.847 1.00 31.30 H new ATOM 0 HG2 MET A 71 -2.085 -5.408 -12.267 1.00 13.44 H new ATOM 0 HG3 MET A 71 -3.805 -5.096 -12.397 1.00 13.44 H new ATOM 0 HE1 MET A 71 -2.452 -9.113 -12.289 1.00 73.42 H new ATOM 0 HE2 MET A 71 -1.302 -7.763 -12.136 1.00 73.42 H new ATOM 0 HE3 MET A 71 -2.798 -7.772 -11.172 1.00 73.42 H new ATOM 1112 N LYS A 72 -5.939 -4.699 -13.585 1.00 22.31 N ATOM 1113 CA LYS A 72 -7.108 -5.562 -13.458 1.00 32.00 C ATOM 1114 C LYS A 72 -8.197 -5.152 -14.443 1.00 43.23 C ATOM 1115 O LYS A 72 -8.976 -5.986 -14.906 1.00 64.51 O ATOM 1116 CB LYS A 72 -7.653 -5.509 -12.028 1.00 43.35 C ATOM 1117 CG LYS A 72 -8.763 -6.511 -11.764 1.00 10.34 C ATOM 1118 CD LYS A 72 -10.083 -5.817 -11.474 1.00 44.00 C ATOM 1119 CE LYS A 72 -10.859 -5.538 -12.752 1.00 25.03 C ATOM 1120 NZ LYS A 72 -12.318 -5.395 -12.496 1.00 31.12 N ATOM 0 H LYS A 72 -5.816 -4.040 -12.816 1.00 22.31 H new ATOM 0 HA LYS A 72 -6.802 -6.583 -13.687 1.00 32.00 H new ATOM 0 HB2 LYS A 72 -6.836 -5.692 -11.330 1.00 43.35 H new ATOM 0 HB3 LYS A 72 -8.026 -4.505 -11.827 1.00 43.35 H new ATOM 0 HG2 LYS A 72 -8.877 -7.165 -12.628 1.00 10.34 H new ATOM 0 HG3 LYS A 72 -8.490 -7.144 -10.919 1.00 10.34 H new ATOM 0 HD2 LYS A 72 -10.684 -6.439 -10.811 1.00 44.00 H new ATOM 0 HD3 LYS A 72 -9.895 -4.880 -10.949 1.00 44.00 H new ATOM 0 HE2 LYS A 72 -10.481 -4.626 -13.215 1.00 25.03 H new ATOM 0 HE3 LYS A 72 -10.693 -6.348 -13.462 1.00 25.03 H new ATOM 0 HZ1 LYS A 72 -12.811 -5.206 -13.392 1.00 31.12 H new ATOM 0 HZ2 LYS A 72 -12.685 -6.274 -12.078 1.00 31.12 H new ATOM 0 HZ3 LYS A 72 -12.479 -4.605 -11.839 1.00 31.12 H new ATOM 1134 N LEU A 73 -8.246 -3.863 -14.762 1.00 35.10 N ATOM 1135 CA LEU A 73 -9.239 -3.342 -15.694 1.00 73.41 C ATOM 1136 C LEU A 73 -8.928 -3.779 -17.122 1.00 2.32 C ATOM 1137 O LEU A 73 -9.809 -4.238 -17.849 1.00 61.20 O ATOM 1138 CB LEU A 73 -9.291 -1.816 -15.616 1.00 15.22 C ATOM 1139 CG LEU A 73 -9.121 -1.209 -14.222 1.00 42.20 C ATOM 1140 CD1 LEU A 73 -9.256 0.305 -14.279 1.00 33.14 C ATOM 1141 CD2 LEU A 73 -10.135 -1.802 -13.256 1.00 55.33 C ATOM 0 H LEU A 73 -7.609 -3.159 -14.388 1.00 35.10 H new ATOM 0 HA LEU A 73 -10.211 -3.747 -15.413 1.00 73.41 H new ATOM 0 HB2 LEU A 73 -8.513 -1.412 -16.264 1.00 15.22 H new ATOM 0 HB3 LEU A 73 -10.247 -1.484 -16.021 1.00 15.22 H new ATOM 0 HG LEU A 73 -8.121 -1.450 -13.860 1.00 42.20 H new ATOM 0 HD11 LEU A 73 -9.132 0.719 -13.278 1.00 33.14 H new ATOM 0 HD12 LEU A 73 -8.490 0.714 -14.938 1.00 33.14 H new ATOM 0 HD13 LEU A 73 -10.242 0.568 -14.661 1.00 33.14 H new ATOM 0 HD21 LEU A 73 -10.000 -1.359 -12.269 1.00 55.33 H new ATOM 0 HD22 LEU A 73 -11.143 -1.592 -13.613 1.00 55.33 H new ATOM 0 HD23 LEU A 73 -9.990 -2.880 -13.193 1.00 55.33 H new ATOM 1153 N LEU A 74 -7.667 -3.635 -17.516 1.00 62.24 N ATOM 1154 CA LEU A 74 -7.237 -4.017 -18.857 1.00 43.25 C ATOM 1155 C LEU A 74 -7.418 -5.515 -19.082 1.00 34.11 C ATOM 1156 O LEU A 74 -7.542 -5.971 -20.218 1.00 44.13 O ATOM 1157 CB LEU A 74 -5.773 -3.630 -19.074 1.00 31.23 C ATOM 1158 CG LEU A 74 -5.490 -2.137 -19.239 1.00 0.03 C ATOM 1159 CD1 LEU A 74 -6.385 -1.539 -20.313 1.00 23.44 C ATOM 1160 CD2 LEU A 74 -5.683 -1.409 -17.916 1.00 42.31 C ATOM 0 H LEU A 74 -6.925 -3.257 -16.927 1.00 62.24 H new ATOM 0 HA LEU A 74 -7.858 -3.483 -19.576 1.00 43.25 H new ATOM 0 HB2 LEU A 74 -5.192 -3.998 -18.229 1.00 31.23 H new ATOM 0 HB3 LEU A 74 -5.409 -4.148 -19.961 1.00 31.23 H new ATOM 0 HG LEU A 74 -4.453 -2.016 -19.551 1.00 0.03 H new ATOM 0 HD11 LEU A 74 -6.169 -0.476 -20.416 1.00 23.44 H new ATOM 0 HD12 LEU A 74 -6.199 -2.041 -21.263 1.00 23.44 H new ATOM 0 HD13 LEU A 74 -7.430 -1.671 -20.031 1.00 23.44 H new ATOM 0 HD21 LEU A 74 -5.477 -0.347 -18.052 1.00 42.31 H new ATOM 0 HD22 LEU A 74 -6.710 -1.539 -17.576 1.00 42.31 H new ATOM 0 HD23 LEU A 74 -5.000 -1.819 -17.172 1.00 42.31 H new ATOM 1172 N GLU A 75 -7.434 -6.274 -17.990 1.00 71.13 N ATOM 1173 CA GLU A 75 -7.602 -7.720 -18.069 1.00 75.24 C ATOM 1174 C GLU A 75 -8.917 -8.079 -18.756 1.00 0.00 C ATOM 1175 O GLU A 75 -8.935 -8.836 -19.726 1.00 41.24 O ATOM 1176 CB GLU A 75 -7.561 -8.337 -16.669 1.00 3.11 C ATOM 1177 CG GLU A 75 -6.290 -9.122 -16.387 1.00 71.45 C ATOM 1178 CD GLU A 75 -6.561 -10.586 -16.103 1.00 11.04 C ATOM 1179 OE1 GLU A 75 -6.765 -11.350 -17.069 1.00 22.31 O ATOM 1180 OE2 GLU A 75 -6.568 -10.968 -14.914 1.00 22.23 O ATOM 0 H GLU A 75 -7.333 -5.912 -17.042 1.00 71.13 H new ATOM 0 HA GLU A 75 -6.781 -8.124 -18.661 1.00 75.24 H new ATOM 0 HB2 GLU A 75 -7.660 -7.543 -15.928 1.00 3.11 H new ATOM 0 HB3 GLU A 75 -8.420 -8.996 -16.546 1.00 3.11 H new ATOM 0 HG2 GLU A 75 -5.619 -9.040 -17.242 1.00 71.45 H new ATOM 0 HG3 GLU A 75 -5.775 -8.679 -15.534 1.00 71.45 H new ATOM 1188 N GLU A 76 -10.014 -7.530 -18.244 1.00 71.41 N ATOM 1189 CA GLU A 76 -11.333 -7.794 -18.809 1.00 12.13 C ATOM 1190 C GLU A 76 -11.550 -6.986 -20.085 1.00 14.25 C ATOM 1191 O GLU A 76 -12.263 -7.417 -20.991 1.00 30.25 O ATOM 1192 CB GLU A 76 -12.424 -7.460 -17.788 1.00 21.10 C ATOM 1193 CG GLU A 76 -12.213 -8.117 -16.434 1.00 64.12 C ATOM 1194 CD GLU A 76 -12.368 -9.624 -16.486 1.00 75.21 C ATOM 1195 OE1 GLU A 76 -11.508 -10.288 -17.101 1.00 33.32 O ATOM 1196 OE2 GLU A 76 -13.350 -10.139 -15.912 1.00 20.24 O ATOM 0 H GLU A 76 -10.016 -6.901 -17.441 1.00 71.41 H new ATOM 0 HA GLU A 76 -11.389 -8.854 -19.058 1.00 12.13 H new ATOM 0 HB2 GLU A 76 -12.467 -6.379 -17.655 1.00 21.10 H new ATOM 0 HB3 GLU A 76 -13.390 -7.770 -18.186 1.00 21.10 H new ATOM 0 HG2 GLU A 76 -11.217 -7.871 -16.066 1.00 64.12 H new ATOM 0 HG3 GLU A 76 -12.927 -7.707 -15.720 1.00 64.12 H new ATOM 1204 N ALA A 77 -10.931 -5.812 -20.147 1.00 72.14 N ATOM 1205 CA ALA A 77 -11.055 -4.944 -21.312 1.00 20.04 C ATOM 1206 C ALA A 77 -10.065 -5.342 -22.401 1.00 31.42 C ATOM 1207 O ALA A 77 -9.960 -4.678 -23.431 1.00 30.02 O ATOM 1208 CB ALA A 77 -10.847 -3.491 -20.912 1.00 41.12 C ATOM 0 H ALA A 77 -10.339 -5.440 -19.405 1.00 72.14 H new ATOM 0 HA ALA A 77 -12.062 -5.058 -21.714 1.00 20.04 H new ATOM 0 HB1 ALA A 77 -10.942 -2.854 -21.792 1.00 41.12 H new ATOM 0 HB2 ALA A 77 -11.597 -3.206 -20.174 1.00 41.12 H new ATOM 0 HB3 ALA A 77 -9.852 -3.371 -20.483 1.00 41.12 H new ATOM 1214 N GLY A 78 -9.339 -6.431 -22.165 1.00 42.12 N ATOM 1215 CA GLY A 78 -8.366 -6.898 -23.135 1.00 43.22 C ATOM 1216 C GLY A 78 -7.366 -5.823 -23.518 1.00 72.00 C ATOM 1217 O GLY A 78 -6.768 -5.875 -24.591 1.00 33.51 O ATOM 0 H GLY A 78 -9.408 -6.998 -21.320 1.00 42.12 H new ATOM 0 HA2 GLY A 78 -7.833 -7.756 -22.726 1.00 43.22 H new ATOM 0 HA3 GLY A 78 -8.885 -7.242 -24.029 1.00 43.22 H new ATOM 1221 N GLY A 79 -7.186 -4.843 -22.636 1.00 34.42 N ATOM 1222 CA GLY A 79 -6.255 -3.765 -22.906 1.00 43.44 C ATOM 1223 C GLY A 79 -6.905 -2.603 -23.631 1.00 22.53 C ATOM 1224 O GLY A 79 -6.307 -2.007 -24.525 1.00 61.00 O ATOM 0 H GLY A 79 -7.669 -4.778 -21.740 1.00 34.42 H new ATOM 0 HA2 GLY A 79 -5.832 -3.411 -21.966 1.00 43.44 H new ATOM 0 HA3 GLY A 79 -5.428 -4.146 -23.505 1.00 43.44 H new ATOM 1228 N ASN A 80 -8.136 -2.283 -23.246 1.00 11.44 N ATOM 1229 CA ASN A 80 -8.870 -1.186 -23.867 1.00 74.22 C ATOM 1230 C ASN A 80 -9.144 -0.075 -22.858 1.00 61.14 C ATOM 1231 O ASN A 80 -9.993 -0.217 -21.978 1.00 53.21 O ATOM 1232 CB ASN A 80 -10.189 -1.695 -24.453 1.00 2.33 C ATOM 1233 CG ASN A 80 -10.565 -0.982 -25.737 1.00 5.53 C ATOM 1234 OD1 ASN A 80 -11.078 0.236 -25.609 1.00 31.04 O flip ATOM 1235 ND2 ASN A 80 -10.394 -1.519 -26.831 1.00 44.12 N flip ATOM 0 H ASN A 80 -8.646 -2.767 -22.507 1.00 11.44 H new ATOM 0 HA ASN A 80 -8.256 -0.779 -24.670 1.00 74.22 H new ATOM 0 HB2 ASN A 80 -10.109 -2.765 -24.645 1.00 2.33 H new ATOM 0 HB3 ASN A 80 -10.985 -1.561 -23.720 1.00 2.33 H new ATOM 0 HD21 ASN A 80 -9.996 -2.457 -26.882 1.00 44.12 H new ATOM 0 HD22 ASN A 80 -10.650 -1.026 -27.687 1.00 44.12 H new ATOM 1242 N TRP A 81 -8.419 1.030 -22.993 1.00 33.40 N ATOM 1243 CA TRP A 81 -8.584 2.167 -22.094 1.00 75.00 C ATOM 1244 C TRP A 81 -9.761 3.036 -22.525 1.00 21.44 C ATOM 1245 O TRP A 81 -10.301 3.805 -21.729 1.00 43.21 O ATOM 1246 CB TRP A 81 -7.305 3.003 -22.055 1.00 3.12 C ATOM 1247 CG TRP A 81 -6.105 2.231 -21.597 1.00 41.34 C ATOM 1248 CD1 TRP A 81 -5.352 1.368 -22.341 1.00 64.03 C ATOM 1249 CD2 TRP A 81 -5.520 2.252 -20.291 1.00 13.54 C ATOM 1250 NE1 TRP A 81 -4.335 0.851 -21.575 1.00 62.43 N ATOM 1251 CE2 TRP A 81 -4.417 1.378 -20.313 1.00 4.32 C ATOM 1252 CE3 TRP A 81 -5.821 2.925 -19.103 1.00 52.14 C ATOM 1253 CZ2 TRP A 81 -3.615 1.160 -19.195 1.00 60.32 C ATOM 1254 CZ3 TRP A 81 -5.026 2.708 -17.994 1.00 22.01 C ATOM 1255 CH2 TRP A 81 -3.932 1.832 -18.046 1.00 73.42 C ATOM 0 H TRP A 81 -7.712 1.163 -23.716 1.00 33.40 H new ATOM 0 HA TRP A 81 -8.788 1.781 -21.095 1.00 75.00 H new ATOM 0 HB2 TRP A 81 -7.112 3.405 -23.050 1.00 3.12 H new ATOM 0 HB3 TRP A 81 -7.456 3.854 -21.391 1.00 3.12 H new ATOM 0 HD1 TRP A 81 -5.530 1.127 -23.379 1.00 64.03 H new ATOM 0 HE1 TRP A 81 -3.633 0.183 -21.894 1.00 62.43 H new ATOM 0 HE3 TRP A 81 -6.660 3.603 -19.053 1.00 52.14 H new ATOM 0 HZ2 TRP A 81 -2.773 0.485 -19.234 1.00 60.32 H new ATOM 0 HZ3 TRP A 81 -5.251 3.222 -17.071 1.00 22.01 H new ATOM 0 HH2 TRP A 81 -3.328 1.685 -17.163 1.00 73.42 H new ATOM 1266 N SER A 82 -10.156 2.906 -23.788 1.00 44.44 N ATOM 1267 CA SER A 82 -11.266 3.683 -24.325 1.00 11.00 C ATOM 1268 C SER A 82 -12.506 3.535 -23.448 1.00 53.31 C ATOM 1269 O SER A 82 -13.106 4.526 -23.030 1.00 33.23 O ATOM 1270 CB SER A 82 -11.583 3.240 -25.754 1.00 22.34 C ATOM 1271 OG SER A 82 -12.177 4.291 -26.495 1.00 1.22 O ATOM 0 H SER A 82 -9.723 2.270 -24.458 1.00 44.44 H new ATOM 0 HA SER A 82 -10.971 4.732 -24.335 1.00 11.00 H new ATOM 0 HB2 SER A 82 -10.668 2.915 -26.248 1.00 22.34 H new ATOM 0 HB3 SER A 82 -12.255 2.382 -25.731 1.00 22.34 H new ATOM 0 HG SER A 82 -12.368 3.982 -27.405 1.00 1.22 H new ATOM 1277 N TYR A 83 -12.884 2.292 -23.174 1.00 22.43 N ATOM 1278 CA TYR A 83 -14.054 2.013 -22.350 1.00 60.12 C ATOM 1279 C TYR A 83 -13.740 2.218 -20.871 1.00 44.11 C ATOM 1280 O TYR A 83 -14.540 2.787 -20.128 1.00 61.42 O ATOM 1281 CB TYR A 83 -14.540 0.582 -22.585 1.00 20.43 C ATOM 1282 CG TYR A 83 -15.391 0.037 -21.460 1.00 53.44 C ATOM 1283 CD1 TYR A 83 -16.770 0.202 -21.464 1.00 73.20 C ATOM 1284 CD2 TYR A 83 -14.814 -0.638 -20.391 1.00 71.15 C ATOM 1285 CE1 TYR A 83 -17.552 -0.293 -20.437 1.00 63.11 C ATOM 1286 CE2 TYR A 83 -15.588 -1.137 -19.361 1.00 1.31 C ATOM 1287 CZ TYR A 83 -16.956 -0.961 -19.388 1.00 31.12 C ATOM 1288 OH TYR A 83 -17.730 -1.456 -18.363 1.00 4.30 O ATOM 0 H TYR A 83 -12.397 1.461 -23.510 1.00 22.43 H new ATOM 0 HA TYR A 83 -14.842 2.709 -22.636 1.00 60.12 H new ATOM 0 HB2 TYR A 83 -15.114 0.550 -23.511 1.00 20.43 H new ATOM 0 HB3 TYR A 83 -13.676 -0.068 -22.723 1.00 20.43 H new ATOM 0 HD1 TYR A 83 -17.239 0.726 -22.283 1.00 73.20 H new ATOM 0 HD2 TYR A 83 -13.743 -0.775 -20.365 1.00 71.15 H new ATOM 0 HE1 TYR A 83 -18.623 -0.157 -20.456 1.00 63.11 H new ATOM 0 HE2 TYR A 83 -15.124 -1.662 -18.539 1.00 1.31 H new ATOM 0 HH TYR A 83 -17.156 -1.900 -17.705 1.00 4.30 H new ATOM 1298 N ILE A 84 -12.569 1.752 -20.451 1.00 65.22 N ATOM 1299 CA ILE A 84 -12.147 1.886 -19.063 1.00 4.44 C ATOM 1300 C ILE A 84 -12.109 3.350 -18.638 1.00 61.11 C ATOM 1301 O ILE A 84 -12.267 3.671 -17.460 1.00 44.10 O ATOM 1302 CB ILE A 84 -10.758 1.261 -18.834 1.00 30.13 C ATOM 1303 CG1 ILE A 84 -10.806 -0.248 -19.085 1.00 51.14 C ATOM 1304 CG2 ILE A 84 -10.272 1.553 -17.422 1.00 11.10 C ATOM 1305 CD1 ILE A 84 -9.448 -0.912 -19.037 1.00 42.43 C ATOM 0 H ILE A 84 -11.895 1.278 -21.053 1.00 65.22 H new ATOM 0 HA ILE A 84 -12.881 1.354 -18.458 1.00 4.44 H new ATOM 0 HB ILE A 84 -10.055 1.706 -19.539 1.00 30.13 H new ATOM 0 HG12 ILE A 84 -11.454 -0.711 -18.341 1.00 51.14 H new ATOM 0 HG13 ILE A 84 -11.257 -0.432 -20.060 1.00 51.14 H new ATOM 0 HG21 ILE A 84 -9.289 1.105 -17.275 1.00 11.10 H new ATOM 0 HG22 ILE A 84 -10.205 2.631 -17.276 1.00 11.10 H new ATOM 0 HG23 ILE A 84 -10.974 1.133 -16.701 1.00 11.10 H new ATOM 0 HD11 ILE A 84 -9.559 -1.980 -19.223 1.00 42.43 H new ATOM 0 HD12 ILE A 84 -8.802 -0.475 -19.799 1.00 42.43 H new ATOM 0 HD13 ILE A 84 -9.003 -0.759 -18.054 1.00 42.43 H new ATOM 1317 N LYS A 85 -11.901 4.235 -19.607 1.00 50.41 N ATOM 1318 CA LYS A 85 -11.846 5.668 -19.336 1.00 4.22 C ATOM 1319 C LYS A 85 -13.189 6.329 -19.627 1.00 33.33 C ATOM 1320 O LYS A 85 -13.316 7.553 -19.571 1.00 1.55 O ATOM 1321 CB LYS A 85 -10.750 6.324 -20.177 1.00 43.31 C ATOM 1322 CG LYS A 85 -11.241 6.847 -21.516 1.00 2.10 C ATOM 1323 CD LYS A 85 -10.147 6.796 -22.570 1.00 33.10 C ATOM 1324 CE LYS A 85 -8.859 7.428 -22.067 1.00 5.21 C ATOM 1325 NZ LYS A 85 -9.086 8.799 -21.531 1.00 1.01 N ATOM 0 H LYS A 85 -11.768 3.986 -20.587 1.00 50.41 H new ATOM 0 HA LYS A 85 -11.616 5.804 -18.279 1.00 4.22 H new ATOM 0 HB2 LYS A 85 -10.315 7.148 -19.612 1.00 43.31 H new ATOM 0 HB3 LYS A 85 -9.954 5.600 -20.349 1.00 43.31 H new ATOM 0 HG2 LYS A 85 -12.095 6.256 -21.848 1.00 2.10 H new ATOM 0 HG3 LYS A 85 -11.589 7.873 -21.401 1.00 2.10 H new ATOM 0 HD2 LYS A 85 -9.959 5.760 -22.851 1.00 33.10 H new ATOM 0 HD3 LYS A 85 -10.481 7.315 -23.468 1.00 33.10 H new ATOM 0 HE2 LYS A 85 -8.427 6.800 -21.288 1.00 5.21 H new ATOM 0 HE3 LYS A 85 -8.134 7.471 -22.880 1.00 5.21 H new ATOM 0 HZ1 LYS A 85 -8.286 9.410 -21.791 1.00 1.01 H new ATOM 0 HZ2 LYS A 85 -9.963 9.188 -21.932 1.00 1.01 H new ATOM 0 HZ3 LYS A 85 -9.168 8.758 -20.495 1.00 1.01 H new ATOM 1339 N LEU A 86 -14.190 5.512 -19.936 1.00 33.24 N ATOM 1340 CA LEU A 86 -15.526 6.017 -20.233 1.00 44.53 C ATOM 1341 C LEU A 86 -16.127 6.718 -19.019 1.00 2.41 C ATOM 1342 O LEU A 86 -17.099 7.464 -19.138 1.00 33.04 O ATOM 1343 CB LEU A 86 -16.438 4.873 -20.679 1.00 14.34 C ATOM 1344 CG LEU A 86 -17.727 5.282 -21.394 1.00 13.33 C ATOM 1345 CD1 LEU A 86 -18.090 4.263 -22.463 1.00 45.45 C ATOM 1346 CD2 LEU A 86 -18.865 5.436 -20.395 1.00 2.31 C ATOM 0 H LEU A 86 -14.102 4.497 -19.987 1.00 33.24 H new ATOM 0 HA LEU A 86 -15.441 6.742 -21.042 1.00 44.53 H new ATOM 0 HB2 LEU A 86 -15.870 4.220 -21.341 1.00 14.34 H new ATOM 0 HB3 LEU A 86 -16.704 4.284 -19.801 1.00 14.34 H new ATOM 0 HG LEU A 86 -17.562 6.244 -21.878 1.00 13.33 H new ATOM 0 HD11 LEU A 86 -19.010 4.570 -22.961 1.00 45.45 H new ATOM 0 HD12 LEU A 86 -17.284 4.200 -23.195 1.00 45.45 H new ATOM 0 HD13 LEU A 86 -18.237 3.287 -22.000 1.00 45.45 H new ATOM 0 HD21 LEU A 86 -19.774 5.727 -20.921 1.00 2.31 H new ATOM 0 HD22 LEU A 86 -19.030 4.488 -19.883 1.00 2.31 H new ATOM 0 HD23 LEU A 86 -18.607 6.203 -19.665 1.00 2.31 H new ATOM 1358 N ASP A 87 -15.538 6.477 -17.853 1.00 33.45 N ATOM 1359 CA ASP A 87 -16.014 7.087 -16.616 1.00 0.12 C ATOM 1360 C ASP A 87 -14.847 7.622 -15.792 1.00 51.12 C ATOM 1361 O ASP A 87 -14.928 7.709 -14.567 1.00 65.52 O ATOM 1362 CB ASP A 87 -16.811 6.072 -15.795 1.00 71.11 C ATOM 1363 CG ASP A 87 -17.801 5.295 -16.639 1.00 75.51 C ATOM 1364 OD1 ASP A 87 -19.018 5.542 -16.505 1.00 34.32 O ATOM 1365 OD2 ASP A 87 -17.360 4.440 -17.434 1.00 3.20 O ATOM 0 H ASP A 87 -14.731 5.864 -17.738 1.00 33.45 H new ATOM 0 HA ASP A 87 -16.665 7.921 -16.878 1.00 0.12 H new ATOM 0 HB2 ASP A 87 -16.123 5.376 -15.315 1.00 71.11 H new ATOM 0 HB3 ASP A 87 -17.345 6.592 -15.000 1.00 71.11 H new ATOM 1371 N ASN A 88 -13.762 7.979 -16.473 1.00 32.55 N ATOM 1372 CA ASN A 88 -12.578 8.504 -15.803 1.00 0.01 C ATOM 1373 C ASN A 88 -11.937 7.440 -14.917 1.00 40.05 C ATOM 1374 O ASN A 88 -11.507 7.724 -13.799 1.00 72.15 O ATOM 1375 CB ASN A 88 -12.943 9.730 -14.964 1.00 54.41 C ATOM 1376 CG ASN A 88 -11.869 10.799 -15.003 1.00 2.34 C ATOM 1377 OD1 ASN A 88 -10.621 10.390 -14.799 1.00 33.15 O flip ATOM 1378 ND2 ASN A 88 -12.156 11.978 -15.213 1.00 73.04 N flip ATOM 0 H ASN A 88 -13.679 7.914 -17.488 1.00 32.55 H new ATOM 0 HA ASN A 88 -11.858 8.796 -16.568 1.00 0.01 H new ATOM 0 HB2 ASN A 88 -13.882 10.149 -15.327 1.00 54.41 H new ATOM 0 HB3 ASN A 88 -13.109 9.423 -13.931 1.00 54.41 H new ATOM 0 HD21 ASN A 88 -13.128 12.247 -15.364 1.00 73.04 H new ATOM 0 HD22 ASN A 88 -11.422 12.685 -15.235 1.00 73.04 H new ATOM 1385 N TYR A 89 -11.874 6.215 -15.427 1.00 12.33 N ATOM 1386 CA TYR A 89 -11.287 5.107 -14.682 1.00 41.42 C ATOM 1387 C TYR A 89 -12.037 4.870 -13.375 1.00 54.13 C ATOM 1388 O TYR A 89 -11.432 4.612 -12.334 1.00 15.20 O ATOM 1389 CB TYR A 89 -9.811 5.387 -14.392 1.00 10.44 C ATOM 1390 CG TYR A 89 -8.985 5.634 -15.634 1.00 15.14 C ATOM 1391 CD1 TYR A 89 -9.327 5.049 -16.847 1.00 30.04 C ATOM 1392 CD2 TYR A 89 -7.865 6.454 -15.594 1.00 42.54 C ATOM 1393 CE1 TYR A 89 -8.575 5.272 -17.983 1.00 64.30 C ATOM 1394 CE2 TYR A 89 -7.107 6.684 -16.726 1.00 64.41 C ATOM 1395 CZ TYR A 89 -7.466 6.090 -17.919 1.00 53.32 C ATOM 1396 OH TYR A 89 -6.716 6.316 -19.050 1.00 61.34 O ATOM 0 H TYR A 89 -12.222 5.964 -16.352 1.00 12.33 H new ATOM 0 HA TYR A 89 -11.368 4.208 -15.293 1.00 41.42 H new ATOM 0 HB2 TYR A 89 -9.737 6.256 -13.738 1.00 10.44 H new ATOM 0 HB3 TYR A 89 -9.390 4.542 -13.848 1.00 10.44 H new ATOM 0 HD1 TYR A 89 -10.195 4.409 -16.902 1.00 30.04 H new ATOM 0 HD2 TYR A 89 -7.582 6.920 -14.662 1.00 42.54 H new ATOM 0 HE1 TYR A 89 -8.854 4.808 -18.918 1.00 64.30 H new ATOM 0 HE2 TYR A 89 -6.239 7.325 -16.678 1.00 64.41 H new ATOM 0 HH TYR A 89 -6.222 5.502 -19.283 1.00 61.34 H new ATOM 1406 N THR A 90 -13.363 4.959 -13.437 1.00 24.41 N ATOM 1407 CA THR A 90 -14.198 4.754 -12.261 1.00 51.44 C ATOM 1408 C THR A 90 -13.850 3.447 -11.559 1.00 22.12 C ATOM 1409 O THR A 90 -13.932 3.348 -10.335 1.00 25.41 O ATOM 1410 CB THR A 90 -15.694 4.744 -12.629 1.00 23.31 C ATOM 1411 OG1 THR A 90 -16.117 6.060 -13.000 1.00 31.11 O ATOM 1412 CG2 THR A 90 -16.534 4.244 -11.464 1.00 54.14 C ATOM 0 H THR A 90 -13.881 5.172 -14.290 1.00 24.41 H new ATOM 0 HA THR A 90 -14.003 5.588 -11.586 1.00 51.44 H new ATOM 0 HB THR A 90 -15.833 4.068 -13.473 1.00 23.31 H new ATOM 0 HG1 THR A 90 -15.386 6.520 -13.464 1.00 31.11 H new ATOM 0 HG21 THR A 90 -17.587 4.246 -11.747 1.00 54.14 H new ATOM 0 HG22 THR A 90 -16.230 3.230 -11.205 1.00 54.14 H new ATOM 0 HG23 THR A 90 -16.389 4.897 -10.604 1.00 54.14 H new ATOM 1420 N ALA A 91 -13.460 2.446 -12.341 1.00 61.32 N ATOM 1421 CA ALA A 91 -13.097 1.145 -11.794 1.00 44.31 C ATOM 1422 C ALA A 91 -12.073 1.288 -10.673 1.00 14.33 C ATOM 1423 O ALA A 91 -12.114 0.555 -9.684 1.00 5.52 O ATOM 1424 CB ALA A 91 -12.555 0.243 -12.893 1.00 23.13 C ATOM 0 H ALA A 91 -13.387 2.511 -13.356 1.00 61.32 H new ATOM 0 HA ALA A 91 -13.995 0.691 -11.376 1.00 44.31 H new ATOM 0 HB1 ALA A 91 -12.288 -0.725 -12.470 1.00 23.13 H new ATOM 0 HB2 ALA A 91 -13.317 0.106 -13.660 1.00 23.13 H new ATOM 0 HB3 ALA A 91 -11.671 0.701 -13.337 1.00 23.13 H new ATOM 1430 N LEU A 92 -11.156 2.236 -10.833 1.00 0.43 N ATOM 1431 CA LEU A 92 -10.120 2.475 -9.833 1.00 35.43 C ATOM 1432 C LEU A 92 -10.726 3.005 -8.536 1.00 62.53 C ATOM 1433 O LEU A 92 -10.243 2.706 -7.445 1.00 61.03 O ATOM 1434 CB LEU A 92 -9.086 3.466 -10.368 1.00 73.14 C ATOM 1435 CG LEU A 92 -9.438 4.948 -10.224 1.00 24.43 C ATOM 1436 CD1 LEU A 92 -8.946 5.486 -8.889 1.00 21.43 C ATOM 1437 CD2 LEU A 92 -8.848 5.750 -11.374 1.00 25.44 C ATOM 0 H LEU A 92 -11.108 2.852 -11.645 1.00 0.43 H new ATOM 0 HA LEU A 92 -9.629 1.525 -9.621 1.00 35.43 H new ATOM 0 HB2 LEU A 92 -8.141 3.286 -9.855 1.00 73.14 H new ATOM 0 HB3 LEU A 92 -8.921 3.253 -11.424 1.00 73.14 H new ATOM 0 HG LEU A 92 -10.523 5.049 -10.256 1.00 24.43 H new ATOM 0 HD11 LEU A 92 -9.205 6.541 -8.804 1.00 21.43 H new ATOM 0 HD12 LEU A 92 -9.416 4.931 -8.077 1.00 21.43 H new ATOM 0 HD13 LEU A 92 -7.864 5.372 -8.827 1.00 21.43 H new ATOM 0 HD21 LEU A 92 -9.108 6.802 -11.255 1.00 25.44 H new ATOM 0 HD22 LEU A 92 -7.763 5.642 -11.374 1.00 25.44 H new ATOM 0 HD23 LEU A 92 -9.249 5.381 -12.318 1.00 25.44 H new ATOM 1449 N VAL A 93 -11.789 3.792 -8.666 1.00 54.11 N ATOM 1450 CA VAL A 93 -12.464 4.362 -7.505 1.00 20.50 C ATOM 1451 C VAL A 93 -13.110 3.273 -6.657 1.00 13.51 C ATOM 1452 O VAL A 93 -12.936 3.237 -5.438 1.00 71.13 O ATOM 1453 CB VAL A 93 -13.543 5.378 -7.926 1.00 61.40 C ATOM 1454 CG1 VAL A 93 -14.435 5.729 -6.745 1.00 53.44 C ATOM 1455 CG2 VAL A 93 -12.900 6.626 -8.510 1.00 74.43 C ATOM 0 H VAL A 93 -12.201 4.050 -9.563 1.00 54.11 H new ATOM 0 HA VAL A 93 -11.704 4.875 -6.916 1.00 20.50 H new ATOM 0 HB VAL A 93 -14.165 4.924 -8.697 1.00 61.40 H new ATOM 0 HG11 VAL A 93 -15.191 6.448 -7.061 1.00 53.44 H new ATOM 0 HG12 VAL A 93 -14.923 4.827 -6.377 1.00 53.44 H new ATOM 0 HG13 VAL A 93 -13.831 6.165 -5.949 1.00 53.44 H new ATOM 0 HG21 VAL A 93 -13.677 7.333 -8.802 1.00 74.43 H new ATOM 0 HG22 VAL A 93 -12.253 7.086 -7.763 1.00 74.43 H new ATOM 0 HG23 VAL A 93 -12.308 6.355 -9.385 1.00 74.43 H new ATOM 1465 N ASP A 94 -13.856 2.388 -7.307 1.00 1.13 N ATOM 1466 CA ASP A 94 -14.527 1.295 -6.612 1.00 74.13 C ATOM 1467 C ASP A 94 -13.529 0.216 -6.204 1.00 11.31 C ATOM 1468 O ASP A 94 -13.718 -0.469 -5.199 1.00 43.41 O ATOM 1469 CB ASP A 94 -15.617 0.690 -7.500 1.00 43.40 C ATOM 1470 CG ASP A 94 -16.623 -0.122 -6.709 1.00 5.33 C ATOM 1471 OD1 ASP A 94 -17.464 -0.800 -7.337 1.00 5.22 O ATOM 1472 OD2 ASP A 94 -16.569 -0.081 -5.462 1.00 43.11 O ATOM 0 H ASP A 94 -14.012 2.405 -8.315 1.00 1.13 H new ATOM 0 HA ASP A 94 -14.987 1.699 -5.710 1.00 74.13 H new ATOM 0 HB2 ASP A 94 -16.135 1.489 -8.030 1.00 43.40 H new ATOM 0 HB3 ASP A 94 -15.155 0.055 -8.256 1.00 43.40 H new ATOM 1478 N ALA A 95 -12.468 0.071 -6.990 1.00 42.50 N ATOM 1479 CA ALA A 95 -11.440 -0.924 -6.709 1.00 24.40 C ATOM 1480 C ALA A 95 -10.636 -0.549 -5.468 1.00 72.43 C ATOM 1481 O ALA A 95 -10.558 -1.321 -4.512 1.00 52.14 O ATOM 1482 CB ALA A 95 -10.518 -1.082 -7.909 1.00 25.15 C ATOM 0 H ALA A 95 -12.297 0.630 -7.826 1.00 42.50 H new ATOM 0 HA ALA A 95 -11.934 -1.876 -6.515 1.00 24.40 H new ATOM 0 HB1 ALA A 95 -9.755 -1.828 -7.686 1.00 25.15 H new ATOM 0 HB2 ALA A 95 -11.098 -1.404 -8.774 1.00 25.15 H new ATOM 0 HB3 ALA A 95 -10.039 -0.128 -8.128 1.00 25.15 H new ATOM 1488 N ILE A 96 -10.042 0.640 -5.490 1.00 73.42 N ATOM 1489 CA ILE A 96 -9.246 1.117 -4.366 1.00 24.23 C ATOM 1490 C ILE A 96 -10.095 1.245 -3.106 1.00 60.40 C ATOM 1491 O ILE A 96 -9.624 0.986 -1.999 1.00 72.11 O ATOM 1492 CB ILE A 96 -8.595 2.477 -4.674 1.00 61.24 C ATOM 1493 CG1 ILE A 96 -7.667 2.361 -5.886 1.00 12.43 C ATOM 1494 CG2 ILE A 96 -7.831 2.986 -3.461 1.00 61.53 C ATOM 1495 CD1 ILE A 96 -6.467 1.473 -5.643 1.00 63.13 C ATOM 0 H ILE A 96 -10.097 1.290 -6.274 1.00 73.42 H new ATOM 0 HA ILE A 96 -8.462 0.378 -4.199 1.00 24.23 H new ATOM 0 HB ILE A 96 -9.381 3.194 -4.910 1.00 61.24 H new ATOM 0 HG12 ILE A 96 -8.233 1.970 -6.731 1.00 12.43 H new ATOM 0 HG13 ILE A 96 -7.322 3.356 -6.166 1.00 12.43 H new ATOM 0 HG21 ILE A 96 -7.376 3.949 -3.695 1.00 61.53 H new ATOM 0 HG22 ILE A 96 -8.517 3.103 -2.622 1.00 61.53 H new ATOM 0 HG23 ILE A 96 -7.052 2.272 -3.196 1.00 61.53 H new ATOM 0 HD11 ILE A 96 -5.853 1.436 -6.543 1.00 63.13 H new ATOM 0 HD12 ILE A 96 -5.878 1.875 -4.818 1.00 63.13 H new ATOM 0 HD13 ILE A 96 -6.804 0.467 -5.392 1.00 63.13 H new ATOM 1507 N TYR A 97 -11.350 1.644 -3.283 1.00 62.12 N ATOM 1508 CA TYR A 97 -12.265 1.808 -2.161 1.00 53.13 C ATOM 1509 C TYR A 97 -12.463 0.488 -1.421 1.00 25.33 C ATOM 1510 O TYR A 97 -12.638 0.466 -0.204 1.00 11.21 O ATOM 1511 CB TYR A 97 -13.615 2.338 -2.649 1.00 52.34 C ATOM 1512 CG TYR A 97 -13.732 3.844 -2.585 1.00 74.24 C ATOM 1513 CD1 TYR A 97 -12.661 4.659 -2.931 1.00 34.50 C ATOM 1514 CD2 TYR A 97 -14.914 4.452 -2.180 1.00 13.45 C ATOM 1515 CE1 TYR A 97 -12.764 6.036 -2.874 1.00 63.53 C ATOM 1516 CE2 TYR A 97 -15.026 5.827 -2.120 1.00 41.34 C ATOM 1517 CZ TYR A 97 -13.948 6.615 -2.468 1.00 61.33 C ATOM 1518 OH TYR A 97 -14.055 7.986 -2.410 1.00 32.23 O ATOM 0 H TYR A 97 -11.756 1.860 -4.193 1.00 62.12 H new ATOM 0 HA TYR A 97 -11.826 2.529 -1.471 1.00 53.13 H new ATOM 0 HB2 TYR A 97 -13.774 2.013 -3.677 1.00 52.34 H new ATOM 0 HB3 TYR A 97 -14.409 1.894 -2.048 1.00 52.34 H new ATOM 0 HD1 TYR A 97 -11.733 4.209 -3.250 1.00 34.50 H new ATOM 0 HD2 TYR A 97 -15.760 3.838 -1.907 1.00 13.45 H new ATOM 0 HE1 TYR A 97 -11.922 6.655 -3.146 1.00 63.53 H new ATOM 0 HE2 TYR A 97 -15.952 6.283 -1.803 1.00 41.34 H new ATOM 0 HH TYR A 97 -14.954 8.231 -2.106 1.00 32.23 H new ATOM 1528 N SER A 98 -12.432 -0.612 -2.168 1.00 41.24 N ATOM 1529 CA SER A 98 -12.610 -1.937 -1.586 1.00 41.41 C ATOM 1530 C SER A 98 -11.345 -2.385 -0.860 1.00 21.12 C ATOM 1531 O SER A 98 -11.384 -2.737 0.319 1.00 14.24 O ATOM 1532 CB SER A 98 -12.974 -2.949 -2.673 1.00 23.33 C ATOM 1533 OG SER A 98 -12.528 -4.250 -2.328 1.00 42.25 O ATOM 0 H SER A 98 -12.285 -0.611 -3.177 1.00 41.24 H new ATOM 0 HA SER A 98 -13.424 -1.884 -0.863 1.00 41.41 H new ATOM 0 HB2 SER A 98 -14.054 -2.958 -2.819 1.00 23.33 H new ATOM 0 HB3 SER A 98 -12.527 -2.647 -3.620 1.00 23.33 H new ATOM 0 HG SER A 98 -12.774 -4.879 -3.038 1.00 42.25 H new ATOM 1539 N VAL A 99 -10.223 -2.370 -1.573 1.00 74.10 N ATOM 1540 CA VAL A 99 -8.946 -2.774 -0.998 1.00 52.35 C ATOM 1541 C VAL A 99 -8.565 -1.880 0.176 1.00 12.52 C ATOM 1542 O VAL A 99 -8.332 -2.361 1.285 1.00 75.14 O ATOM 1543 CB VAL A 99 -7.819 -2.731 -2.048 1.00 73.02 C ATOM 1544 CG1 VAL A 99 -6.526 -3.282 -1.466 1.00 73.52 C ATOM 1545 CG2 VAL A 99 -8.225 -3.503 -3.295 1.00 42.24 C ATOM 0 H VAL A 99 -10.173 -2.082 -2.550 1.00 74.10 H new ATOM 0 HA VAL A 99 -9.067 -3.799 -0.647 1.00 52.35 H new ATOM 0 HB VAL A 99 -7.647 -1.692 -2.331 1.00 73.02 H new ATOM 0 HG11 VAL A 99 -5.741 -3.244 -2.222 1.00 73.52 H new ATOM 0 HG12 VAL A 99 -6.230 -2.683 -0.605 1.00 73.52 H new ATOM 0 HG13 VAL A 99 -6.679 -4.315 -1.154 1.00 73.52 H new ATOM 0 HG21 VAL A 99 -7.418 -3.463 -4.027 1.00 42.24 H new ATOM 0 HG22 VAL A 99 -8.424 -4.542 -3.031 1.00 42.24 H new ATOM 0 HG23 VAL A 99 -9.124 -3.058 -3.722 1.00 42.24 H new ATOM 1555 N GLU A 100 -8.504 -0.576 -0.074 1.00 41.13 N ATOM 1556 CA GLU A 100 -8.151 0.385 0.964 1.00 42.05 C ATOM 1557 C GLU A 100 -9.005 0.178 2.211 1.00 44.35 C ATOM 1558 O GLU A 100 -8.560 0.430 3.331 1.00 65.20 O ATOM 1559 CB GLU A 100 -8.324 1.815 0.446 1.00 44.23 C ATOM 1560 CG GLU A 100 -9.748 2.333 0.553 1.00 61.23 C ATOM 1561 CD GLU A 100 -9.925 3.691 -0.099 1.00 64.53 C ATOM 1562 OE1 GLU A 100 -11.066 4.199 -0.108 1.00 42.21 O ATOM 1563 OE2 GLU A 100 -8.925 4.243 -0.602 1.00 41.34 O ATOM 0 H GLU A 100 -8.694 -0.161 -0.986 1.00 41.13 H new ATOM 0 HA GLU A 100 -7.106 0.226 1.230 1.00 42.05 H new ATOM 0 HB2 GLU A 100 -7.663 2.477 1.005 1.00 44.23 H new ATOM 0 HB3 GLU A 100 -8.009 1.855 -0.597 1.00 44.23 H new ATOM 0 HG2 GLU A 100 -10.427 1.619 0.086 1.00 61.23 H new ATOM 0 HG3 GLU A 100 -10.029 2.399 1.604 1.00 61.23 H new ATOM 1571 N ASP A 101 -10.235 -0.283 2.009 1.00 45.33 N ATOM 1572 CA ASP A 101 -11.152 -0.525 3.116 1.00 0.30 C ATOM 1573 C ASP A 101 -11.044 -1.966 3.606 1.00 60.44 C ATOM 1574 O ASP A 101 -10.514 -2.830 2.908 1.00 40.04 O ATOM 1575 CB ASP A 101 -12.590 -0.224 2.690 1.00 43.43 C ATOM 1576 CG ASP A 101 -13.524 -0.073 3.874 1.00 73.12 C ATOM 1577 OD1 ASP A 101 -13.066 0.394 4.937 1.00 23.44 O ATOM 1578 OD2 ASP A 101 -14.716 -0.421 3.737 1.00 63.34 O ATOM 0 H ASP A 101 -10.619 -0.496 1.089 1.00 45.33 H new ATOM 0 HA ASP A 101 -10.877 0.140 3.935 1.00 0.30 H new ATOM 0 HB2 ASP A 101 -12.607 0.691 2.099 1.00 43.43 H new ATOM 0 HB3 ASP A 101 -12.951 -1.026 2.046 1.00 43.43 H new ATOM 1584 N GLU A 102 -11.551 -2.216 4.809 1.00 42.42 N ATOM 1585 CA GLU A 102 -11.510 -3.553 5.392 1.00 43.25 C ATOM 1586 C GLU A 102 -10.094 -4.120 5.351 1.00 42.24 C ATOM 1587 O GLU A 102 -9.766 -4.939 4.494 1.00 65.42 O ATOM 1588 CB GLU A 102 -12.467 -4.487 4.648 1.00 43.54 C ATOM 1589 CG GLU A 102 -13.899 -3.982 4.604 1.00 54.43 C ATOM 1590 CD GLU A 102 -14.705 -4.407 5.816 1.00 52.32 C ATOM 1591 OE1 GLU A 102 -14.100 -4.921 6.780 1.00 44.12 O ATOM 1592 OE2 GLU A 102 -15.940 -4.225 5.801 1.00 24.34 O ATOM 0 H GLU A 102 -11.994 -1.512 5.399 1.00 42.42 H new ATOM 0 HA GLU A 102 -11.823 -3.478 6.433 1.00 43.25 H new ATOM 0 HB2 GLU A 102 -12.108 -4.624 3.628 1.00 43.54 H new ATOM 0 HB3 GLU A 102 -12.451 -5.466 5.126 1.00 43.54 H new ATOM 0 HG2 GLU A 102 -13.895 -2.894 4.539 1.00 54.43 H new ATOM 0 HG3 GLU A 102 -14.384 -4.354 3.701 1.00 54.43 H new ATOM 1600 N ASN A 103 -9.258 -3.677 6.284 1.00 13.44 N ATOM 1601 CA ASN A 103 -7.876 -4.139 6.356 1.00 71.13 C ATOM 1602 C ASN A 103 -7.681 -5.090 7.532 1.00 24.32 C ATOM 1603 O ASN A 103 -6.755 -5.901 7.542 1.00 22.02 O ATOM 1604 CB ASN A 103 -6.924 -2.948 6.485 1.00 61.43 C ATOM 1605 CG ASN A 103 -6.616 -2.307 5.146 1.00 61.05 C ATOM 1606 OD1 ASN A 103 -7.650 -2.099 4.338 1.00 35.22 O flip ATOM 1607 ND2 ASN A 103 -5.463 -2.000 4.842 1.00 31.14 N flip ATOM 0 H ASN A 103 -9.513 -2.998 7.001 1.00 13.44 H new ATOM 0 HA ASN A 103 -7.651 -4.677 5.435 1.00 71.13 H new ATOM 0 HB2 ASN A 103 -7.365 -2.204 7.148 1.00 61.43 H new ATOM 0 HB3 ASN A 103 -5.995 -3.278 6.949 1.00 61.43 H new ATOM 0 HD21 ASN A 103 -4.699 -2.178 5.494 1.00 31.14 H new ATOM 0 HD22 ASN A 103 -5.272 -1.567 3.938 1.00 31.14 H new ATOM 1614 N LYS A 104 -8.560 -4.986 8.523 1.00 30.42 N ATOM 1615 CA LYS A 104 -8.487 -5.838 9.704 1.00 54.13 C ATOM 1616 C LYS A 104 -9.563 -6.918 9.663 1.00 35.33 C ATOM 1617 O LYS A 104 -9.476 -7.921 10.371 1.00 11.02 O ATOM 1618 CB LYS A 104 -8.642 -4.998 10.974 1.00 5.33 C ATOM 1619 CG LYS A 104 -10.004 -4.339 11.106 1.00 12.34 C ATOM 1620 CD LYS A 104 -10.019 -2.958 10.473 1.00 33.04 C ATOM 1621 CE LYS A 104 -11.330 -2.691 9.750 1.00 73.24 C ATOM 1622 NZ LYS A 104 -12.302 -1.964 10.613 1.00 10.13 N ATOM 0 H LYS A 104 -9.332 -4.319 8.532 1.00 30.42 H new ATOM 0 HA LYS A 104 -7.511 -6.322 9.712 1.00 54.13 H new ATOM 0 HB2 LYS A 104 -8.470 -5.633 11.843 1.00 5.33 H new ATOM 0 HB3 LYS A 104 -7.872 -4.227 10.985 1.00 5.33 H new ATOM 0 HG2 LYS A 104 -10.760 -4.966 10.632 1.00 12.34 H new ATOM 0 HG3 LYS A 104 -10.270 -4.260 12.160 1.00 12.34 H new ATOM 0 HD2 LYS A 104 -9.866 -2.202 11.243 1.00 33.04 H new ATOM 0 HD3 LYS A 104 -9.190 -2.869 9.771 1.00 33.04 H new ATOM 0 HE2 LYS A 104 -11.136 -2.107 8.850 1.00 73.24 H new ATOM 0 HE3 LYS A 104 -11.766 -3.637 9.428 1.00 73.24 H new ATOM 0 HZ1 LYS A 104 -13.182 -1.801 10.084 1.00 10.13 H new ATOM 0 HZ2 LYS A 104 -12.507 -2.532 11.460 1.00 10.13 H new ATOM 0 HZ3 LYS A 104 -11.896 -1.050 10.899 1.00 10.13 H new ATOM 1636 N GLN A 105 -10.577 -6.707 8.829 1.00 24.23 N ATOM 1637 CA GLN A 105 -11.669 -7.664 8.696 1.00 32.04 C ATOM 1638 C GLN A 105 -12.434 -7.803 10.008 1.00 2.13 C ATOM 1639 O GLN A 105 -12.505 -8.888 10.585 1.00 2.30 O ATOM 1640 CB GLN A 105 -11.130 -9.027 8.260 1.00 23.12 C ATOM 1641 CG GLN A 105 -10.210 -8.959 7.051 1.00 22.35 C ATOM 1642 CD GLN A 105 -10.939 -8.551 5.787 1.00 64.23 C ATOM 1643 OE1 GLN A 105 -10.858 -7.271 5.443 1.00 15.15 O flip ATOM 1644 NE2 GLN A 105 -11.567 -9.377 5.123 1.00 52.33 N flip ATOM 0 H GLN A 105 -10.665 -5.882 8.236 1.00 24.23 H new ATOM 0 HA GLN A 105 -12.354 -7.291 7.935 1.00 32.04 H new ATOM 0 HB2 GLN A 105 -10.590 -9.478 9.092 1.00 23.12 H new ATOM 0 HB3 GLN A 105 -11.969 -9.684 8.031 1.00 23.12 H new ATOM 0 HG2 GLN A 105 -9.408 -8.248 7.249 1.00 22.35 H new ATOM 0 HG3 GLN A 105 -9.743 -9.932 6.899 1.00 22.35 H new ATOM 0 HE21 GLN A 105 -11.604 -10.351 5.423 1.00 52.33 H new ATOM 0 HE22 GLN A 105 -12.050 -9.087 4.273 1.00 52.33 H new ATOM 1653 N SER A 106 -13.004 -6.696 10.475 1.00 22.55 N ATOM 1654 CA SER A 106 -13.761 -6.694 11.722 1.00 45.34 C ATOM 1655 C SER A 106 -15.245 -6.921 11.457 1.00 75.33 C ATOM 1656 O SER A 106 -16.046 -5.988 11.513 1.00 22.55 O ATOM 1657 CB SER A 106 -13.559 -5.370 12.462 1.00 61.22 C ATOM 1658 OG SER A 106 -14.509 -5.218 13.502 1.00 75.32 O ATOM 0 H SER A 106 -12.956 -5.790 10.009 1.00 22.55 H new ATOM 0 HA SER A 106 -13.393 -7.510 12.344 1.00 45.34 H new ATOM 0 HB2 SER A 106 -12.552 -5.331 12.877 1.00 61.22 H new ATOM 0 HB3 SER A 106 -13.647 -4.540 11.760 1.00 61.22 H new ATOM 0 HG SER A 106 -15.408 -5.153 13.117 1.00 75.32 H new ATOM 1664 N GLU A 107 -15.604 -8.168 11.168 1.00 25.42 N ATOM 1665 CA GLU A 107 -16.993 -8.518 10.893 1.00 63.02 C ATOM 1666 C GLU A 107 -17.573 -9.367 12.021 1.00 63.42 C ATOM 1667 O GLU A 107 -17.475 -10.593 12.003 1.00 21.13 O ATOM 1668 CB GLU A 107 -17.099 -9.273 9.566 1.00 43.24 C ATOM 1669 CG GLU A 107 -18.492 -9.244 8.959 1.00 3.31 C ATOM 1670 CD GLU A 107 -18.849 -7.888 8.383 1.00 40.14 C ATOM 1671 OE1 GLU A 107 -20.046 -7.655 8.111 1.00 3.24 O ATOM 1672 OE2 GLU A 107 -17.933 -7.059 8.203 1.00 42.55 O ATOM 0 H GLU A 107 -14.953 -8.952 11.118 1.00 25.42 H new ATOM 0 HA GLU A 107 -17.567 -7.594 10.824 1.00 63.02 H new ATOM 0 HB2 GLU A 107 -16.393 -8.843 8.855 1.00 43.24 H new ATOM 0 HB3 GLU A 107 -16.802 -10.310 9.723 1.00 43.24 H new ATOM 0 HG2 GLU A 107 -18.558 -9.997 8.174 1.00 3.31 H new ATOM 0 HG3 GLU A 107 -19.222 -9.514 9.722 1.00 3.31 H new ATOM 1680 N GLY A 108 -18.178 -8.703 13.001 1.00 35.20 N ATOM 1681 CA GLY A 108 -18.765 -9.411 14.124 1.00 21.21 C ATOM 1682 C GLY A 108 -20.194 -8.985 14.396 1.00 62.14 C ATOM 1683 O GLY A 108 -20.488 -8.404 15.439 1.00 15.30 O ATOM 0 H GLY A 108 -18.272 -7.688 13.037 1.00 35.20 H new ATOM 0 HA2 GLY A 108 -18.740 -10.483 13.927 1.00 21.21 H new ATOM 0 HA3 GLY A 108 -18.162 -9.237 15.015 1.00 21.21 H new ATOM 1687 N SER A 109 -21.086 -9.274 13.453 1.00 62.00 N ATOM 1688 CA SER A 109 -22.491 -8.911 13.593 1.00 21.22 C ATOM 1689 C SER A 109 -23.175 -9.783 14.641 1.00 2.05 C ATOM 1690 O SER A 109 -23.721 -9.279 15.621 1.00 41.20 O ATOM 1691 CB SER A 109 -23.211 -9.048 12.250 1.00 31.45 C ATOM 1692 OG SER A 109 -23.145 -10.381 11.770 1.00 52.20 O ATOM 0 H SER A 109 -20.860 -9.758 12.584 1.00 62.00 H new ATOM 0 HA SER A 109 -22.542 -7.873 13.920 1.00 21.22 H new ATOM 0 HB2 SER A 109 -24.253 -8.749 12.360 1.00 31.45 H new ATOM 0 HB3 SER A 109 -22.761 -8.373 11.522 1.00 31.45 H new ATOM 0 HG SER A 109 -23.614 -10.443 10.912 1.00 52.20 H new TER 1698 SER A 109