USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 767 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 HIS : no HD1:sc= 0.316 K(o=0.49,f=-6.7!) USER MOD Set 1.2: A 74 ASN : amide:sc= 0.179 K(o=0.49,f=-3.1!) USER MOD Set 2.1: A 32 SER OG : rot -130:sc= 0.557 USER MOD Set 2.2: A 51 TYR OH : rot -35:sc= 1.21 USER MOD Set 2.3: A 55 GLN : amide:sc= 1.62 K(o=3.4,f=1.6) USER MOD Set 3.1: A 48 LYS NZ :NH3+ -123:sc= 1.04 (180deg=0.173) USER MOD Set 3.2: A 59 MET CE :methyl 167:sc= 0 (180deg=-0.246) USER MOD Set 4.1: A 42 THR OG1 : rot 180:sc= 0.483 USER MOD Set 4.2: A 46 LYS NZ :NH3+ -124:sc= 1.2 (180deg=0) USER MOD Set 5.1: A 39 LYS NZ :NH3+ -169:sc= 1.25 (180deg=0) USER MOD Set 5.2: A 41 THR OG1 : rot 63:sc= 1.98 USER MOD Set 6.1: A 21 TYR OH : rot -137:sc= 1.78 USER MOD Set 6.2: A 23 LYS NZ :NH3+ -139:sc= 0.782 (180deg=0.0562) USER MOD Set 7.1: A 2 SER OG : rot -72:sc= 1.21 USER MOD Set 7.2: A 4 GLN : amide:sc= 1.15 K(o=2.4,f=-0.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0425 USER MOD Single : A 10 THR OG1 : rot 58:sc= 0.344 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -135:sc= 1.25 (180deg=-0.568) USER MOD Single : A 25 LYS NZ :NH3+ -149:sc= 1.24 (180deg=1.09) USER MOD Single : A 29 GLN : amide:sc= 1.53 K(o=1.5,f=-3.7!) USER MOD Single : A 31 SER OG : rot -46:sc= 0.926 USER MOD Single : A 35 HIS : no HE2:sc=-0.00247 X(o=-0.0025,f=-0.45) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 168:sc= -0.0329 (180deg=-0.272) USER MOD Single : A 45 LYS NZ :NH3+ 154:sc= 1.22 (180deg=0.645) USER MOD Single : A 50 SER OG : rot -94:sc= 1.2 USER MOD Single : A 52 CYS SG : rot 79:sc= -1.21 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 61 SER OG : rot 39:sc= 1.25 USER MOD Single : A 69 GLN : amide:sc= -0.0736 X(o=-0.074,f=-0.028) USER MOD Single : A 75 HIS : no HD1:sc= 0.363 K(o=0.36,f=-3.5!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.375 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 94 GLN : amide:sc= 0.926 K(o=0.93,f=-3.5!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 70.608 43.558 -34.176 1.00 0.00 N ATOM 2 CA MET A 1 71.761 44.316 -33.600 1.00 0.00 C ATOM 3 C MET A 1 72.769 43.382 -32.915 1.00 0.00 C ATOM 4 O MET A 1 72.388 42.384 -32.299 1.00 0.00 O ATOM 5 CB MET A 1 71.253 45.355 -32.597 1.00 0.00 C ATOM 6 CG MET A 1 71.821 46.748 -32.822 1.00 0.00 C ATOM 7 SD MET A 1 71.380 47.423 -34.434 1.00 0.00 S ATOM 8 CE MET A 1 69.993 48.469 -33.996 1.00 0.00 C ATOM 0 H1 MET A 1 69.948 44.222 -34.630 1.00 0.00 H new ATOM 0 H2 MET A 1 70.957 42.879 -34.882 1.00 0.00 H new ATOM 0 H3 MET A 1 70.115 43.046 -33.417 1.00 0.00 H new ATOM 0 HA MET A 1 72.273 44.817 -34.422 1.00 0.00 H new ATOM 0 HB2 MET A 1 70.166 45.402 -32.654 1.00 0.00 H new ATOM 0 HB3 MET A 1 71.505 45.028 -31.588 1.00 0.00 H new ATOM 0 HG2 MET A 1 71.457 47.415 -32.041 1.00 0.00 H new ATOM 0 HG3 MET A 1 72.907 46.713 -32.731 1.00 0.00 H new ATOM 0 HE1 MET A 1 69.609 48.958 -34.891 1.00 0.00 H new ATOM 0 HE2 MET A 1 69.206 47.862 -33.548 1.00 0.00 H new ATOM 0 HE3 MET A 1 70.319 49.225 -33.282 1.00 0.00 H new ATOM 18 N SER A 2 74.052 43.715 -33.023 1.00 0.00 N ATOM 19 CA SER A 2 75.107 42.905 -32.415 1.00 0.00 C ATOM 20 C SER A 2 75.521 43.467 -31.055 1.00 0.00 C ATOM 21 O SER A 2 76.135 44.530 -30.972 1.00 0.00 O ATOM 22 CB SER A 2 76.328 42.836 -33.335 1.00 0.00 C ATOM 23 OG SER A 2 76.941 41.559 -33.273 1.00 0.00 O ATOM 0 H SER A 2 74.387 44.538 -33.524 1.00 0.00 H new ATOM 0 HA SER A 2 74.709 41.901 -32.269 1.00 0.00 H new ATOM 0 HB2 SER A 2 76.027 43.049 -34.361 1.00 0.00 H new ATOM 0 HB3 SER A 2 77.048 43.603 -33.048 1.00 0.00 H new ATOM 0 HG SER A 2 77.395 41.455 -32.410 1.00 0.00 H new ATOM 29 N ASP A 3 75.174 42.749 -29.991 1.00 0.00 N ATOM 30 CA ASP A 3 75.512 43.176 -28.636 1.00 0.00 C ATOM 31 C ASP A 3 76.000 41.996 -27.791 1.00 0.00 C ATOM 32 O ASP A 3 75.346 41.592 -26.827 1.00 0.00 O ATOM 33 CB ASP A 3 74.299 43.837 -27.975 1.00 0.00 C ATOM 34 CG ASP A 3 74.592 45.253 -27.518 1.00 0.00 C ATOM 35 OD1 ASP A 3 75.635 45.461 -26.862 1.00 0.00 O ATOM 36 OD2 ASP A 3 73.780 46.154 -27.816 1.00 0.00 O ATOM 0 H ASP A 3 74.659 41.870 -30.040 1.00 0.00 H new ATOM 0 HA ASP A 3 76.322 43.902 -28.700 1.00 0.00 H new ATOM 0 HB2 ASP A 3 73.467 43.850 -28.679 1.00 0.00 H new ATOM 0 HB3 ASP A 3 73.984 43.240 -27.120 1.00 0.00 H new ATOM 41 N GLN A 4 77.159 41.452 -28.152 1.00 0.00 N ATOM 42 CA GLN A 4 77.738 40.318 -27.429 1.00 0.00 C ATOM 43 C GLN A 4 78.476 40.772 -26.162 1.00 0.00 C ATOM 44 O GLN A 4 79.699 40.673 -26.065 1.00 0.00 O ATOM 45 CB GLN A 4 78.687 39.527 -28.344 1.00 0.00 C ATOM 46 CG GLN A 4 79.587 40.398 -29.211 1.00 0.00 C ATOM 47 CD GLN A 4 79.131 40.457 -30.656 1.00 0.00 C ATOM 48 OE1 GLN A 4 78.219 41.207 -31.001 1.00 0.00 O ATOM 49 NE2 GLN A 4 79.761 39.668 -31.511 1.00 0.00 N ATOM 0 H GLN A 4 77.718 41.777 -28.941 1.00 0.00 H new ATOM 0 HA GLN A 4 76.918 39.669 -27.121 1.00 0.00 H new ATOM 0 HB2 GLN A 4 79.311 38.879 -27.729 1.00 0.00 H new ATOM 0 HB3 GLN A 4 78.095 38.879 -28.990 1.00 0.00 H new ATOM 0 HG2 GLN A 4 79.612 41.408 -28.801 1.00 0.00 H new ATOM 0 HG3 GLN A 4 80.606 40.012 -29.172 1.00 0.00 H new ATOM 0 HE21 GLN A 4 80.513 39.060 -31.185 1.00 0.00 H new ATOM 0 HE22 GLN A 4 79.495 39.668 -32.496 1.00 0.00 H new ATOM 58 N GLU A 5 77.718 41.269 -25.190 1.00 0.00 N ATOM 59 CA GLU A 5 78.294 41.736 -23.930 1.00 0.00 C ATOM 60 C GLU A 5 78.438 40.588 -22.930 1.00 0.00 C ATOM 61 O GLU A 5 77.505 40.272 -22.188 1.00 0.00 O ATOM 62 CB GLU A 5 77.429 42.850 -23.330 1.00 0.00 C ATOM 63 CG GLU A 5 77.488 44.155 -24.110 1.00 0.00 C ATOM 64 CD GLU A 5 77.365 45.375 -23.215 1.00 0.00 C ATOM 65 OE1 GLU A 5 78.410 45.877 -22.749 1.00 0.00 O ATOM 66 OE2 GLU A 5 76.225 45.830 -22.983 1.00 0.00 O ATOM 0 H GLU A 5 76.704 41.360 -25.249 1.00 0.00 H new ATOM 0 HA GLU A 5 79.288 42.131 -24.141 1.00 0.00 H new ATOM 0 HB2 GLU A 5 76.394 42.510 -23.284 1.00 0.00 H new ATOM 0 HB3 GLU A 5 77.749 43.035 -22.305 1.00 0.00 H new ATOM 0 HG2 GLU A 5 78.429 44.204 -24.658 1.00 0.00 H new ATOM 0 HG3 GLU A 5 76.687 44.169 -24.849 1.00 0.00 H new ATOM 73 N ALA A 6 79.615 39.969 -22.910 1.00 0.00 N ATOM 74 CA ALA A 6 79.885 38.852 -22.004 1.00 0.00 C ATOM 75 C ALA A 6 80.228 39.338 -20.593 1.00 0.00 C ATOM 76 O ALA A 6 81.373 39.247 -20.151 1.00 0.00 O ATOM 77 CB ALA A 6 81.009 37.989 -22.561 1.00 0.00 C ATOM 0 H ALA A 6 80.400 40.221 -23.511 1.00 0.00 H new ATOM 0 HA ALA A 6 78.978 38.252 -21.930 1.00 0.00 H new ATOM 0 HB1 ALA A 6 81.203 37.160 -21.880 1.00 0.00 H new ATOM 0 HB2 ALA A 6 80.718 37.597 -23.536 1.00 0.00 H new ATOM 0 HB3 ALA A 6 81.912 38.591 -22.666 1.00 0.00 H new ATOM 83 N LYS A 7 79.225 39.856 -19.891 1.00 0.00 N ATOM 84 CA LYS A 7 79.414 40.351 -18.528 1.00 0.00 C ATOM 85 C LYS A 7 78.427 39.705 -17.537 1.00 0.00 C ATOM 86 O LYS A 7 78.855 39.090 -16.559 1.00 0.00 O ATOM 87 CB LYS A 7 79.302 41.881 -18.485 1.00 0.00 C ATOM 88 CG LYS A 7 80.593 42.573 -18.078 1.00 0.00 C ATOM 89 CD LYS A 7 80.539 44.065 -18.367 1.00 0.00 C ATOM 90 CE LYS A 7 81.548 44.832 -17.529 1.00 0.00 C ATOM 91 NZ LYS A 7 81.800 46.196 -18.072 1.00 0.00 N ATOM 0 H LYS A 7 78.271 39.945 -20.242 1.00 0.00 H new ATOM 0 HA LYS A 7 80.419 40.066 -18.217 1.00 0.00 H new ATOM 0 HB2 LYS A 7 78.999 42.243 -19.468 1.00 0.00 H new ATOM 0 HB3 LYS A 7 78.514 42.160 -17.786 1.00 0.00 H new ATOM 0 HG2 LYS A 7 80.773 42.413 -17.015 1.00 0.00 H new ATOM 0 HG3 LYS A 7 81.431 42.127 -18.614 1.00 0.00 H new ATOM 0 HD2 LYS A 7 80.736 44.239 -19.425 1.00 0.00 H new ATOM 0 HD3 LYS A 7 79.536 44.440 -18.164 1.00 0.00 H new ATOM 0 HE2 LYS A 7 81.184 44.911 -16.505 1.00 0.00 H new ATOM 0 HE3 LYS A 7 82.486 44.277 -17.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 82.494 46.686 -17.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 82.172 46.121 -19.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 80.911 46.735 -18.084 1.00 0.00 H new ATOM 105 N PRO A 8 77.091 39.816 -17.760 1.00 0.00 N ATOM 106 CA PRO A 8 76.100 39.223 -16.854 1.00 0.00 C ATOM 107 C PRO A 8 75.882 37.728 -17.106 1.00 0.00 C ATOM 108 O PRO A 8 74.784 37.295 -17.457 1.00 0.00 O ATOM 109 CB PRO A 8 74.834 40.019 -17.167 1.00 0.00 C ATOM 110 CG PRO A 8 74.962 40.381 -18.607 1.00 0.00 C ATOM 111 CD PRO A 8 76.438 40.518 -18.890 1.00 0.00 C ATOM 0 HA PRO A 8 76.413 39.277 -15.811 1.00 0.00 H new ATOM 0 HB2 PRO A 8 73.938 39.425 -16.986 1.00 0.00 H new ATOM 0 HB3 PRO A 8 74.760 40.908 -16.540 1.00 0.00 H new ATOM 0 HG2 PRO A 8 74.516 39.614 -19.240 1.00 0.00 H new ATOM 0 HG3 PRO A 8 74.439 41.313 -18.820 1.00 0.00 H new ATOM 0 HD2 PRO A 8 76.704 40.067 -19.846 1.00 0.00 H new ATOM 0 HD3 PRO A 8 76.739 41.565 -18.936 1.00 0.00 H new ATOM 119 N SER A 9 76.936 36.940 -16.916 1.00 0.00 N ATOM 120 CA SER A 9 76.863 35.494 -17.128 1.00 0.00 C ATOM 121 C SER A 9 76.446 34.765 -15.848 1.00 0.00 C ATOM 122 O SER A 9 77.272 34.143 -15.173 1.00 0.00 O ATOM 123 CB SER A 9 78.212 34.963 -17.625 1.00 0.00 C ATOM 124 OG SER A 9 78.239 33.546 -17.623 1.00 0.00 O ATOM 0 H SER A 9 77.851 37.276 -16.616 1.00 0.00 H new ATOM 0 HA SER A 9 76.104 35.303 -17.886 1.00 0.00 H new ATOM 0 HB2 SER A 9 78.401 35.331 -18.633 1.00 0.00 H new ATOM 0 HB3 SER A 9 79.012 35.345 -16.991 1.00 0.00 H new ATOM 0 HG SER A 9 79.110 33.235 -17.946 1.00 0.00 H new ATOM 130 N THR A 10 75.160 34.838 -15.523 1.00 0.00 N ATOM 131 CA THR A 10 74.630 34.184 -14.323 1.00 0.00 C ATOM 132 C THR A 10 74.300 32.714 -14.587 1.00 0.00 C ATOM 133 O THR A 10 73.131 32.324 -14.630 1.00 0.00 O ATOM 134 CB THR A 10 73.364 34.895 -13.803 1.00 0.00 C ATOM 135 OG1 THR A 10 72.381 34.971 -14.844 1.00 0.00 O ATOM 136 CG2 THR A 10 73.693 36.297 -13.307 1.00 0.00 C ATOM 0 H THR A 10 74.462 35.342 -16.071 1.00 0.00 H new ATOM 0 HA THR A 10 75.412 34.246 -13.566 1.00 0.00 H new ATOM 0 HB THR A 10 72.967 34.316 -12.969 1.00 0.00 H new ATOM 0 HG1 THR A 10 72.168 34.068 -15.159 1.00 0.00 H new ATOM 0 HG21 THR A 10 72.784 36.778 -12.946 1.00 0.00 H new ATOM 0 HG22 THR A 10 74.418 36.235 -12.495 1.00 0.00 H new ATOM 0 HG23 THR A 10 74.113 36.883 -14.125 1.00 0.00 H new ATOM 144 N GLU A 11 75.336 31.899 -14.757 1.00 0.00 N ATOM 145 CA GLU A 11 75.159 30.472 -15.017 1.00 0.00 C ATOM 146 C GLU A 11 75.064 29.678 -13.711 1.00 0.00 C ATOM 147 O GLU A 11 75.977 28.933 -13.351 1.00 0.00 O ATOM 148 CB GLU A 11 76.313 29.944 -15.875 1.00 0.00 C ATOM 149 CG GLU A 11 75.910 28.832 -16.834 1.00 0.00 C ATOM 150 CD GLU A 11 75.463 29.356 -18.186 1.00 0.00 C ATOM 151 OE1 GLU A 11 76.322 29.500 -19.082 1.00 0.00 O ATOM 152 OE2 GLU A 11 74.255 29.621 -18.347 1.00 0.00 O ATOM 0 H GLU A 11 76.309 32.202 -14.720 1.00 0.00 H new ATOM 0 HA GLU A 11 74.223 30.341 -15.559 1.00 0.00 H new ATOM 0 HB2 GLU A 11 76.734 30.770 -16.448 1.00 0.00 H new ATOM 0 HB3 GLU A 11 77.102 29.576 -15.219 1.00 0.00 H new ATOM 0 HG2 GLU A 11 76.753 28.154 -16.972 1.00 0.00 H new ATOM 0 HG3 GLU A 11 75.103 28.250 -16.390 1.00 0.00 H new ATOM 159 N ASP A 12 73.949 29.840 -13.005 1.00 0.00 N ATOM 160 CA ASP A 12 73.734 29.143 -11.739 1.00 0.00 C ATOM 161 C ASP A 12 73.021 27.803 -11.958 1.00 0.00 C ATOM 162 O ASP A 12 71.879 27.619 -11.541 1.00 0.00 O ATOM 163 CB ASP A 12 72.926 30.025 -10.784 1.00 0.00 C ATOM 164 CG ASP A 12 73.742 31.175 -10.229 1.00 0.00 C ATOM 165 OD1 ASP A 12 73.850 32.213 -10.918 1.00 0.00 O ATOM 166 OD2 ASP A 12 74.273 31.042 -9.107 1.00 0.00 O ATOM 0 H ASP A 12 73.180 30.448 -13.287 1.00 0.00 H new ATOM 0 HA ASP A 12 74.708 28.936 -11.295 1.00 0.00 H new ATOM 0 HB2 ASP A 12 72.056 30.420 -11.308 1.00 0.00 H new ATOM 0 HB3 ASP A 12 72.553 29.417 -9.960 1.00 0.00 H new ATOM 171 N LEU A 13 73.710 26.873 -12.615 1.00 0.00 N ATOM 172 CA LEU A 13 73.146 25.551 -12.893 1.00 0.00 C ATOM 173 C LEU A 13 74.234 24.476 -12.895 1.00 0.00 C ATOM 174 O LEU A 13 75.388 24.743 -13.230 1.00 0.00 O ATOM 175 CB LEU A 13 72.412 25.555 -14.240 1.00 0.00 C ATOM 176 CG LEU A 13 73.105 26.328 -15.365 1.00 0.00 C ATOM 177 CD1 LEU A 13 73.479 25.394 -16.504 1.00 0.00 C ATOM 178 CD2 LEU A 13 72.210 27.452 -15.868 1.00 0.00 C ATOM 0 H LEU A 13 74.658 27.008 -12.965 1.00 0.00 H new ATOM 0 HA LEU A 13 72.435 25.318 -12.100 1.00 0.00 H new ATOM 0 HB2 LEU A 13 72.275 24.523 -14.563 1.00 0.00 H new ATOM 0 HB3 LEU A 13 71.418 25.977 -14.091 1.00 0.00 H new ATOM 0 HG LEU A 13 74.020 26.767 -14.968 1.00 0.00 H new ATOM 0 HD11 LEU A 13 73.970 25.962 -17.294 1.00 0.00 H new ATOM 0 HD12 LEU A 13 74.157 24.624 -16.135 1.00 0.00 H new ATOM 0 HD13 LEU A 13 72.578 24.925 -16.901 1.00 0.00 H new ATOM 0 HD21 LEU A 13 72.718 27.991 -16.667 1.00 0.00 H new ATOM 0 HD22 LEU A 13 71.278 27.033 -16.248 1.00 0.00 H new ATOM 0 HD23 LEU A 13 71.992 28.138 -15.049 1.00 0.00 H new ATOM 190 N GLY A 14 73.857 23.259 -12.513 1.00 0.00 N ATOM 191 CA GLY A 14 74.811 22.159 -12.482 1.00 0.00 C ATOM 192 C GLY A 14 75.593 22.091 -11.182 1.00 0.00 C ATOM 193 O GLY A 14 75.059 21.675 -10.154 1.00 0.00 O ATOM 0 H GLY A 14 72.910 23.013 -12.224 1.00 0.00 H new ATOM 0 HA2 GLY A 14 74.279 21.219 -12.630 1.00 0.00 H new ATOM 0 HA3 GLY A 14 75.507 22.265 -13.314 1.00 0.00 H new ATOM 197 N ASP A 15 76.866 22.496 -11.240 1.00 0.00 N ATOM 198 CA ASP A 15 77.757 22.490 -10.071 1.00 0.00 C ATOM 199 C ASP A 15 77.895 21.089 -9.459 1.00 0.00 C ATOM 200 O ASP A 15 77.906 20.931 -8.237 1.00 0.00 O ATOM 201 CB ASP A 15 77.261 23.485 -9.014 1.00 0.00 C ATOM 202 CG ASP A 15 78.362 24.405 -8.523 1.00 0.00 C ATOM 203 OD1 ASP A 15 79.420 24.473 -9.184 1.00 0.00 O ATOM 204 OD2 ASP A 15 78.164 25.062 -7.478 1.00 0.00 O ATOM 0 H ASP A 15 77.308 22.836 -12.094 1.00 0.00 H new ATOM 0 HA ASP A 15 78.745 22.796 -10.415 1.00 0.00 H new ATOM 0 HB2 ASP A 15 76.452 24.083 -9.433 1.00 0.00 H new ATOM 0 HB3 ASP A 15 76.846 22.936 -8.169 1.00 0.00 H new ATOM 209 N LYS A 16 78.021 20.079 -10.316 1.00 0.00 N ATOM 210 CA LYS A 16 78.158 18.694 -9.860 1.00 0.00 C ATOM 211 C LYS A 16 79.612 18.356 -9.516 1.00 0.00 C ATOM 212 O LYS A 16 79.871 17.550 -8.620 1.00 0.00 O ATOM 213 CB LYS A 16 77.640 17.726 -10.927 1.00 0.00 C ATOM 214 CG LYS A 16 76.177 17.357 -10.756 1.00 0.00 C ATOM 215 CD LYS A 16 75.643 16.610 -11.967 1.00 0.00 C ATOM 216 CE LYS A 16 74.362 15.861 -11.638 1.00 0.00 C ATOM 217 NZ LYS A 16 73.356 15.972 -12.732 1.00 0.00 N ATOM 0 H LYS A 16 78.031 20.191 -11.330 1.00 0.00 H new ATOM 0 HA LYS A 16 77.561 18.587 -8.955 1.00 0.00 H new ATOM 0 HB2 LYS A 16 77.780 18.174 -11.911 1.00 0.00 H new ATOM 0 HB3 LYS A 16 78.240 16.817 -10.903 1.00 0.00 H new ATOM 0 HG2 LYS A 16 76.059 16.739 -9.866 1.00 0.00 H new ATOM 0 HG3 LYS A 16 75.589 18.261 -10.597 1.00 0.00 H new ATOM 0 HD2 LYS A 16 75.456 17.315 -12.777 1.00 0.00 H new ATOM 0 HD3 LYS A 16 76.396 15.907 -12.323 1.00 0.00 H new ATOM 0 HE2 LYS A 16 74.591 14.810 -11.461 1.00 0.00 H new ATOM 0 HE3 LYS A 16 73.938 16.255 -10.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 72.497 15.448 -12.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 73.118 16.973 -12.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 73.750 15.573 -13.608 1.00 0.00 H new ATOM 231 N LYS A 17 80.548 18.975 -10.241 1.00 0.00 N ATOM 232 CA LYS A 17 81.987 18.762 -10.033 1.00 0.00 C ATOM 233 C LYS A 17 82.385 17.298 -10.282 1.00 0.00 C ATOM 234 O LYS A 17 82.502 16.868 -11.429 1.00 0.00 O ATOM 235 CB LYS A 17 82.405 19.206 -8.625 1.00 0.00 C ATOM 236 CG LYS A 17 82.419 20.715 -8.441 1.00 0.00 C ATOM 237 CD LYS A 17 82.263 21.103 -6.978 1.00 0.00 C ATOM 238 CE LYS A 17 80.935 21.800 -6.720 1.00 0.00 C ATOM 239 NZ LYS A 17 79.856 20.834 -6.376 1.00 0.00 N ATOM 0 H LYS A 17 80.333 19.636 -10.987 1.00 0.00 H new ATOM 0 HA LYS A 17 82.518 19.376 -10.761 1.00 0.00 H new ATOM 0 HB2 LYS A 17 81.723 18.766 -7.897 1.00 0.00 H new ATOM 0 HB3 LYS A 17 83.399 18.813 -8.409 1.00 0.00 H new ATOM 0 HG2 LYS A 17 83.354 21.120 -8.828 1.00 0.00 H new ATOM 0 HG3 LYS A 17 81.613 21.161 -9.024 1.00 0.00 H new ATOM 0 HD2 LYS A 17 82.333 20.211 -6.355 1.00 0.00 H new ATOM 0 HD3 LYS A 17 83.082 21.761 -6.686 1.00 0.00 H new ATOM 0 HE2 LYS A 17 81.053 22.516 -5.907 1.00 0.00 H new ATOM 0 HE3 LYS A 17 80.645 22.367 -7.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 78.994 21.074 -6.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 80.159 19.871 -6.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 79.660 20.881 -5.356 1.00 0.00 H new ATOM 253 N GLU A 18 82.584 16.535 -9.209 1.00 0.00 N ATOM 254 CA GLU A 18 82.974 15.128 -9.333 1.00 0.00 C ATOM 255 C GLU A 18 81.832 14.197 -8.910 1.00 0.00 C ATOM 256 O GLU A 18 81.913 13.519 -7.882 1.00 0.00 O ATOM 257 CB GLU A 18 84.227 14.842 -8.495 1.00 0.00 C ATOM 258 CG GLU A 18 85.444 15.654 -8.917 1.00 0.00 C ATOM 259 CD GLU A 18 85.998 16.506 -7.791 1.00 0.00 C ATOM 260 OE1 GLU A 18 85.298 17.448 -7.361 1.00 0.00 O ATOM 261 OE2 GLU A 18 87.128 16.230 -7.339 1.00 0.00 O ATOM 0 H GLU A 18 82.483 16.863 -8.248 1.00 0.00 H new ATOM 0 HA GLU A 18 83.199 14.935 -10.382 1.00 0.00 H new ATOM 0 HB2 GLU A 18 84.008 15.050 -7.448 1.00 0.00 H new ATOM 0 HB3 GLU A 18 84.467 13.781 -8.566 1.00 0.00 H new ATOM 0 HG2 GLU A 18 86.222 14.978 -9.272 1.00 0.00 H new ATOM 0 HG3 GLU A 18 85.174 16.297 -9.755 1.00 0.00 H new ATOM 268 N GLY A 19 80.773 14.167 -9.714 1.00 0.00 N ATOM 269 CA GLY A 19 79.635 13.312 -9.410 1.00 0.00 C ATOM 270 C GLY A 19 78.854 12.894 -10.648 1.00 0.00 C ATOM 271 O GLY A 19 77.631 12.766 -10.602 1.00 0.00 O ATOM 0 H GLY A 19 80.681 14.717 -10.568 1.00 0.00 H new ATOM 0 HA2 GLY A 19 79.987 12.420 -8.891 1.00 0.00 H new ATOM 0 HA3 GLY A 19 78.967 13.836 -8.726 1.00 0.00 H new ATOM 275 N GLU A 20 79.559 12.670 -11.755 1.00 0.00 N ATOM 276 CA GLU A 20 78.911 12.268 -13.006 1.00 0.00 C ATOM 277 C GLU A 20 79.238 10.815 -13.365 1.00 0.00 C ATOM 278 O GLU A 20 79.308 10.454 -14.539 1.00 0.00 O ATOM 279 CB GLU A 20 79.339 13.196 -14.152 1.00 0.00 C ATOM 280 CG GLU A 20 78.919 14.648 -13.973 1.00 0.00 C ATOM 281 CD GLU A 20 79.475 15.554 -15.056 1.00 0.00 C ATOM 282 OE1 GLU A 20 78.797 15.726 -16.091 1.00 0.00 O ATOM 283 OE2 GLU A 20 80.586 16.093 -14.867 1.00 0.00 O ATOM 0 H GLU A 20 80.573 12.759 -11.814 1.00 0.00 H new ATOM 0 HA GLU A 20 77.834 12.348 -12.860 1.00 0.00 H new ATOM 0 HB2 GLU A 20 80.424 13.154 -14.252 1.00 0.00 H new ATOM 0 HB3 GLU A 20 78.918 12.821 -15.085 1.00 0.00 H new ATOM 0 HG2 GLU A 20 77.831 14.711 -13.975 1.00 0.00 H new ATOM 0 HG3 GLU A 20 79.257 15.003 -12.999 1.00 0.00 H new ATOM 290 N TYR A 21 79.438 9.986 -12.344 1.00 0.00 N ATOM 291 CA TYR A 21 79.754 8.571 -12.554 1.00 0.00 C ATOM 292 C TYR A 21 78.612 7.668 -12.093 1.00 0.00 C ATOM 293 O TYR A 21 78.499 6.532 -12.548 1.00 0.00 O ATOM 294 CB TYR A 21 81.046 8.192 -11.816 1.00 0.00 C ATOM 295 CG TYR A 21 81.236 8.914 -10.498 1.00 0.00 C ATOM 296 CD1 TYR A 21 80.477 8.580 -9.383 1.00 0.00 C ATOM 297 CD2 TYR A 21 82.171 9.934 -10.371 1.00 0.00 C ATOM 298 CE1 TYR A 21 80.641 9.242 -8.183 1.00 0.00 C ATOM 299 CE2 TYR A 21 82.343 10.598 -9.172 1.00 0.00 C ATOM 300 CZ TYR A 21 81.574 10.250 -8.081 1.00 0.00 C ATOM 301 OH TYR A 21 81.733 10.918 -6.888 1.00 0.00 O ATOM 0 H TYR A 21 79.388 10.266 -11.364 1.00 0.00 H new ATOM 0 HA TYR A 21 79.895 8.423 -13.625 1.00 0.00 H new ATOM 0 HB2 TYR A 21 81.046 7.117 -11.633 1.00 0.00 H new ATOM 0 HB3 TYR A 21 81.898 8.406 -12.462 1.00 0.00 H new ATOM 0 HD1 TYR A 21 79.746 7.788 -9.457 1.00 0.00 H new ATOM 0 HD2 TYR A 21 82.773 10.212 -11.223 1.00 0.00 H new ATOM 0 HE1 TYR A 21 80.040 8.971 -7.328 1.00 0.00 H new ATOM 0 HE2 TYR A 21 83.077 11.386 -9.089 1.00 0.00 H new ATOM 0 HH TYR A 21 81.816 11.879 -7.060 1.00 0.00 H new ATOM 311 N ILE A 22 77.769 8.193 -11.195 1.00 0.00 N ATOM 312 CA ILE A 22 76.624 7.454 -10.650 1.00 0.00 C ATOM 313 C ILE A 22 77.066 6.426 -9.593 1.00 0.00 C ATOM 314 O ILE A 22 78.041 5.697 -9.776 1.00 0.00 O ATOM 315 CB ILE A 22 75.797 6.773 -11.781 1.00 0.00 C ATOM 316 CG1 ILE A 22 74.590 7.643 -12.156 1.00 0.00 C ATOM 317 CG2 ILE A 22 75.342 5.369 -11.394 1.00 0.00 C ATOM 318 CD1 ILE A 22 73.648 7.917 -11.003 1.00 0.00 C ATOM 0 H ILE A 22 77.861 9.140 -10.827 1.00 0.00 H new ATOM 0 HA ILE A 22 75.978 8.179 -10.155 1.00 0.00 H new ATOM 0 HB ILE A 22 76.450 6.674 -12.648 1.00 0.00 H new ATOM 0 HG12 ILE A 22 74.949 8.593 -12.553 1.00 0.00 H new ATOM 0 HG13 ILE A 22 74.036 7.152 -12.956 1.00 0.00 H new ATOM 0 HG21 ILE A 22 74.769 4.934 -12.213 1.00 0.00 H new ATOM 0 HG22 ILE A 22 76.214 4.747 -11.190 1.00 0.00 H new ATOM 0 HG23 ILE A 22 74.717 5.422 -10.502 1.00 0.00 H new ATOM 0 HD11 ILE A 22 72.821 8.538 -11.348 1.00 0.00 H new ATOM 0 HD12 ILE A 22 73.258 6.974 -10.620 1.00 0.00 H new ATOM 0 HD13 ILE A 22 74.185 8.437 -10.210 1.00 0.00 H new ATOM 330 N LYS A 23 76.352 6.399 -8.471 1.00 0.00 N ATOM 331 CA LYS A 23 76.660 5.467 -7.386 1.00 0.00 C ATOM 332 C LYS A 23 75.553 4.420 -7.249 1.00 0.00 C ATOM 333 O LYS A 23 74.433 4.736 -6.850 1.00 0.00 O ATOM 334 CB LYS A 23 76.841 6.221 -6.060 1.00 0.00 C ATOM 335 CG LYS A 23 77.493 7.590 -6.210 1.00 0.00 C ATOM 336 CD LYS A 23 78.542 7.833 -5.135 1.00 0.00 C ATOM 337 CE LYS A 23 78.871 9.313 -4.999 1.00 0.00 C ATOM 338 NZ LYS A 23 80.330 9.545 -4.792 1.00 0.00 N ATOM 0 H LYS A 23 75.556 7.011 -8.288 1.00 0.00 H new ATOM 0 HA LYS A 23 77.594 4.960 -7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 23 75.866 6.344 -5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 23 77.447 5.613 -5.388 1.00 0.00 H new ATOM 0 HG2 LYS A 23 77.955 7.667 -7.194 1.00 0.00 H new ATOM 0 HG3 LYS A 23 76.729 8.365 -6.155 1.00 0.00 H new ATOM 0 HD2 LYS A 23 78.181 7.450 -4.180 1.00 0.00 H new ATOM 0 HD3 LYS A 23 79.449 7.279 -5.378 1.00 0.00 H new ATOM 0 HE2 LYS A 23 78.544 9.841 -5.895 1.00 0.00 H new ATOM 0 HE3 LYS A 23 78.315 9.732 -4.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 80.465 10.289 -4.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 80.778 8.665 -4.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 80.765 9.843 -5.689 1.00 0.00 H new ATOM 352 N LEU A 24 75.876 3.172 -7.578 1.00 0.00 N ATOM 353 CA LEU A 24 74.899 2.084 -7.504 1.00 0.00 C ATOM 354 C LEU A 24 74.978 1.344 -6.166 1.00 0.00 C ATOM 355 O LEU A 24 75.983 1.420 -5.456 1.00 0.00 O ATOM 356 CB LEU A 24 75.105 1.099 -8.660 1.00 0.00 C ATOM 357 CG LEU A 24 76.514 0.514 -8.785 1.00 0.00 C ATOM 358 CD1 LEU A 24 76.520 -0.954 -8.389 1.00 0.00 C ATOM 359 CD2 LEU A 24 77.036 0.685 -10.203 1.00 0.00 C ATOM 0 H LEU A 24 76.802 2.887 -7.897 1.00 0.00 H new ATOM 0 HA LEU A 24 73.907 2.529 -7.584 1.00 0.00 H new ATOM 0 HB2 LEU A 24 74.398 0.277 -8.544 1.00 0.00 H new ATOM 0 HB3 LEU A 24 74.856 1.604 -9.593 1.00 0.00 H new ATOM 0 HG LEU A 24 77.173 1.055 -8.106 1.00 0.00 H new ATOM 0 HD11 LEU A 24 77.530 -1.352 -8.484 1.00 0.00 H new ATOM 0 HD12 LEU A 24 76.187 -1.054 -7.356 1.00 0.00 H new ATOM 0 HD13 LEU A 24 75.848 -1.510 -9.042 1.00 0.00 H new ATOM 0 HD21 LEU A 24 78.039 0.264 -10.275 1.00 0.00 H new ATOM 0 HD22 LEU A 24 76.375 0.169 -10.899 1.00 0.00 H new ATOM 0 HD23 LEU A 24 77.069 1.745 -10.453 1.00 0.00 H new ATOM 371 N LYS A 25 73.910 0.624 -5.835 1.00 0.00 N ATOM 372 CA LYS A 25 73.847 -0.128 -4.586 1.00 0.00 C ATOM 373 C LYS A 25 73.376 -1.564 -4.820 1.00 0.00 C ATOM 374 O LYS A 25 72.341 -1.799 -5.441 1.00 0.00 O ATOM 375 CB LYS A 25 72.918 0.582 -3.596 1.00 0.00 C ATOM 376 CG LYS A 25 72.716 -0.169 -2.288 1.00 0.00 C ATOM 377 CD LYS A 25 71.414 0.229 -1.609 1.00 0.00 C ATOM 378 CE LYS A 25 71.522 1.593 -0.943 1.00 0.00 C ATOM 379 NZ LYS A 25 70.863 1.615 0.392 1.00 0.00 N ATOM 0 H LYS A 25 73.075 0.546 -6.416 1.00 0.00 H new ATOM 0 HA LYS A 25 74.852 -0.174 -4.167 1.00 0.00 H new ATOM 0 HB2 LYS A 25 73.324 1.570 -3.377 1.00 0.00 H new ATOM 0 HB3 LYS A 25 71.948 0.734 -4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 25 72.713 -1.242 -2.480 1.00 0.00 H new ATOM 0 HG3 LYS A 25 73.552 0.033 -1.619 1.00 0.00 H new ATOM 0 HD2 LYS A 25 70.610 0.246 -2.345 1.00 0.00 H new ATOM 0 HD3 LYS A 25 71.148 -0.520 -0.863 1.00 0.00 H new ATOM 0 HE2 LYS A 25 72.573 1.861 -0.833 1.00 0.00 H new ATOM 0 HE3 LYS A 25 71.066 2.347 -1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 70.490 2.567 0.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 70.082 0.928 0.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 71.556 1.365 1.126 1.00 0.00 H new ATOM 393 N VAL A 26 74.152 -2.524 -4.328 1.00 0.00 N ATOM 394 CA VAL A 26 73.809 -3.937 -4.471 1.00 0.00 C ATOM 395 C VAL A 26 73.463 -4.548 -3.113 1.00 0.00 C ATOM 396 O VAL A 26 74.245 -4.452 -2.165 1.00 0.00 O ATOM 397 CB VAL A 26 74.964 -4.740 -5.112 1.00 0.00 C ATOM 398 CG1 VAL A 26 74.592 -6.206 -5.260 1.00 0.00 C ATOM 399 CG2 VAL A 26 75.342 -4.149 -6.460 1.00 0.00 C ATOM 0 H VAL A 26 75.023 -2.351 -3.826 1.00 0.00 H new ATOM 0 HA VAL A 26 72.941 -3.992 -5.128 1.00 0.00 H new ATOM 0 HB VAL A 26 75.827 -4.675 -4.450 1.00 0.00 H new ATOM 0 HG11 VAL A 26 75.422 -6.748 -5.713 1.00 0.00 H new ATOM 0 HG12 VAL A 26 74.376 -6.628 -4.278 1.00 0.00 H new ATOM 0 HG13 VAL A 26 73.710 -6.295 -5.895 1.00 0.00 H new ATOM 0 HG21 VAL A 26 76.157 -4.728 -6.895 1.00 0.00 H new ATOM 0 HG22 VAL A 26 74.479 -4.179 -7.125 1.00 0.00 H new ATOM 0 HG23 VAL A 26 75.662 -3.115 -6.327 1.00 0.00 H new ATOM 409 N ILE A 27 72.290 -5.172 -3.021 1.00 0.00 N ATOM 410 CA ILE A 27 71.851 -5.792 -1.770 1.00 0.00 C ATOM 411 C ILE A 27 71.872 -7.319 -1.873 1.00 0.00 C ATOM 412 O ILE A 27 71.178 -7.910 -2.705 1.00 0.00 O ATOM 413 CB ILE A 27 70.427 -5.328 -1.365 1.00 0.00 C ATOM 414 CG1 ILE A 27 70.376 -3.808 -1.156 1.00 0.00 C ATOM 415 CG2 ILE A 27 69.971 -6.048 -0.100 1.00 0.00 C ATOM 416 CD1 ILE A 27 68.969 -3.261 -1.044 1.00 0.00 C ATOM 0 H ILE A 27 71.629 -5.262 -3.793 1.00 0.00 H new ATOM 0 HA ILE A 27 72.554 -5.472 -1.001 1.00 0.00 H new ATOM 0 HB ILE A 27 69.749 -5.581 -2.180 1.00 0.00 H new ATOM 0 HG12 ILE A 27 70.929 -3.555 -0.251 1.00 0.00 H new ATOM 0 HG13 ILE A 27 70.883 -3.318 -1.987 1.00 0.00 H new ATOM 0 HG21 ILE A 27 68.970 -5.711 0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 27 69.956 -7.123 -0.279 1.00 0.00 H new ATOM 0 HG23 ILE A 27 70.661 -5.825 0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 27 69.009 -2.182 -0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 27 68.418 -3.483 -1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 27 68.465 -3.724 -0.195 1.00 0.00 H new ATOM 428 N GLY A 28 72.677 -7.949 -1.024 1.00 0.00 N ATOM 429 CA GLY A 28 72.771 -9.399 -1.022 1.00 0.00 C ATOM 430 C GLY A 28 71.743 -10.049 -0.113 1.00 0.00 C ATOM 431 O GLY A 28 71.156 -9.392 0.749 1.00 0.00 O ATOM 0 H GLY A 28 73.267 -7.481 -0.336 1.00 0.00 H new ATOM 0 HA2 GLY A 28 72.638 -9.770 -2.038 1.00 0.00 H new ATOM 0 HA3 GLY A 28 73.771 -9.694 -0.703 1.00 0.00 H new ATOM 435 N GLN A 29 71.540 -11.353 -0.291 1.00 0.00 N ATOM 436 CA GLN A 29 70.571 -12.111 0.510 1.00 0.00 C ATOM 437 C GLN A 29 70.971 -12.199 1.988 1.00 0.00 C ATOM 438 O GLN A 29 70.162 -12.570 2.838 1.00 0.00 O ATOM 439 CB GLN A 29 70.407 -13.518 -0.066 1.00 0.00 C ATOM 440 CG GLN A 29 71.696 -14.326 -0.082 1.00 0.00 C ATOM 441 CD GLN A 29 71.465 -15.793 0.215 1.00 0.00 C ATOM 442 OE1 GLN A 29 70.748 -16.477 -0.509 1.00 0.00 O ATOM 443 NE2 GLN A 29 72.074 -16.287 1.281 1.00 0.00 N ATOM 0 H GLN A 29 72.035 -11.912 -0.986 1.00 0.00 H new ATOM 0 HA GLN A 29 69.624 -11.574 0.462 1.00 0.00 H new ATOM 0 HB2 GLN A 29 69.659 -14.055 0.517 1.00 0.00 H new ATOM 0 HB3 GLN A 29 70.023 -13.442 -1.083 1.00 0.00 H new ATOM 0 HG2 GLN A 29 72.171 -14.227 -1.058 1.00 0.00 H new ATOM 0 HG3 GLN A 29 72.388 -13.915 0.653 1.00 0.00 H new ATOM 0 HE21 GLN A 29 72.662 -15.685 1.857 1.00 0.00 H new ATOM 0 HE22 GLN A 29 71.955 -17.270 1.526 1.00 0.00 H new ATOM 452 N ASP A 30 72.219 -11.853 2.296 1.00 0.00 N ATOM 453 CA ASP A 30 72.711 -11.900 3.671 1.00 0.00 C ATOM 454 C ASP A 30 72.585 -10.534 4.361 1.00 0.00 C ATOM 455 O ASP A 30 73.352 -10.219 5.273 1.00 0.00 O ATOM 456 CB ASP A 30 74.167 -12.373 3.695 1.00 0.00 C ATOM 457 CG ASP A 30 74.281 -13.885 3.755 1.00 0.00 C ATOM 458 OD1 ASP A 30 73.719 -14.561 2.865 1.00 0.00 O ATOM 459 OD2 ASP A 30 74.932 -14.392 4.692 1.00 0.00 O ATOM 0 H ASP A 30 72.907 -11.537 1.613 1.00 0.00 H new ATOM 0 HA ASP A 30 72.095 -12.610 4.222 1.00 0.00 H new ATOM 0 HB2 ASP A 30 74.680 -12.007 2.806 1.00 0.00 H new ATOM 0 HB3 ASP A 30 74.674 -11.938 4.557 1.00 0.00 H new ATOM 464 N SER A 31 71.622 -9.725 3.901 1.00 0.00 N ATOM 465 CA SER A 31 71.364 -8.389 4.461 1.00 0.00 C ATOM 466 C SER A 31 72.595 -7.478 4.369 1.00 0.00 C ATOM 467 O SER A 31 72.827 -6.632 5.234 1.00 0.00 O ATOM 468 CB SER A 31 70.894 -8.496 5.917 1.00 0.00 C ATOM 469 OG SER A 31 70.557 -7.224 6.442 1.00 0.00 O ATOM 0 H SER A 31 71.000 -9.976 3.132 1.00 0.00 H new ATOM 0 HA SER A 31 70.574 -7.937 3.862 1.00 0.00 H new ATOM 0 HB2 SER A 31 70.029 -9.157 5.975 1.00 0.00 H new ATOM 0 HB3 SER A 31 71.680 -8.946 6.523 1.00 0.00 H new ATOM 0 HG SER A 31 71.256 -6.578 6.209 1.00 0.00 H new ATOM 475 N SER A 32 73.374 -7.646 3.308 1.00 0.00 N ATOM 476 CA SER A 32 74.577 -6.841 3.105 1.00 0.00 C ATOM 477 C SER A 32 74.458 -5.983 1.850 1.00 0.00 C ATOM 478 O SER A 32 74.149 -6.487 0.771 1.00 0.00 O ATOM 479 CB SER A 32 75.813 -7.740 3.000 1.00 0.00 C ATOM 480 OG SER A 32 75.465 -9.117 3.041 1.00 0.00 O ATOM 0 H SER A 32 73.197 -8.331 2.574 1.00 0.00 H new ATOM 0 HA SER A 32 74.685 -6.183 3.967 1.00 0.00 H new ATOM 0 HB2 SER A 32 76.341 -7.525 2.071 1.00 0.00 H new ATOM 0 HB3 SER A 32 76.499 -7.513 3.816 1.00 0.00 H new ATOM 0 HG SER A 32 76.023 -9.576 3.704 1.00 0.00 H new ATOM 486 N GLU A 33 74.709 -4.687 1.994 1.00 0.00 N ATOM 487 CA GLU A 33 74.632 -3.767 0.862 1.00 0.00 C ATOM 488 C GLU A 33 75.982 -3.093 0.603 1.00 0.00 C ATOM 489 O GLU A 33 76.648 -2.623 1.527 1.00 0.00 O ATOM 490 CB GLU A 33 73.536 -2.713 1.088 1.00 0.00 C ATOM 491 CG GLU A 33 73.805 -1.763 2.248 1.00 0.00 C ATOM 492 CD GLU A 33 73.602 -0.307 1.868 1.00 0.00 C ATOM 493 OE1 GLU A 33 74.558 0.315 1.360 1.00 0.00 O ATOM 494 OE2 GLU A 33 72.481 0.210 2.074 1.00 0.00 O ATOM 0 H GLU A 33 74.967 -4.249 2.879 1.00 0.00 H new ATOM 0 HA GLU A 33 74.372 -4.349 -0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 33 73.418 -2.128 0.176 1.00 0.00 H new ATOM 0 HB3 GLU A 33 72.589 -3.223 1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 33 73.145 -2.013 3.079 1.00 0.00 H new ATOM 0 HG3 GLU A 33 74.827 -1.904 2.599 1.00 0.00 H new ATOM 501 N ILE A 34 76.389 -3.066 -0.664 1.00 0.00 N ATOM 502 CA ILE A 34 77.658 -2.451 -1.049 1.00 0.00 C ATOM 503 C ILE A 34 77.442 -1.342 -2.082 1.00 0.00 C ATOM 504 O ILE A 34 76.655 -1.497 -3.019 1.00 0.00 O ATOM 505 CB ILE A 34 78.652 -3.493 -1.622 1.00 0.00 C ATOM 506 CG1 ILE A 34 78.608 -4.788 -0.803 1.00 0.00 C ATOM 507 CG2 ILE A 34 80.066 -2.925 -1.643 1.00 0.00 C ATOM 508 CD1 ILE A 34 79.358 -5.940 -1.440 1.00 0.00 C ATOM 0 H ILE A 34 75.860 -3.462 -1.441 1.00 0.00 H new ATOM 0 HA ILE A 34 78.085 -2.023 -0.142 1.00 0.00 H new ATOM 0 HB ILE A 34 78.356 -3.723 -2.645 1.00 0.00 H new ATOM 0 HG12 ILE A 34 79.026 -4.596 0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 34 77.568 -5.080 -0.658 1.00 0.00 H new ATOM 0 HG21 ILE A 34 80.751 -3.670 -2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 34 80.090 -2.032 -2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 34 80.369 -2.667 -0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 34 79.282 -6.821 -0.802 1.00 0.00 H new ATOM 0 HD12 ILE A 34 78.926 -6.160 -2.416 1.00 0.00 H new ATOM 0 HD13 ILE A 34 80.407 -5.669 -1.560 1.00 0.00 H new ATOM 520 N HIS A 35 78.138 -0.222 -1.899 1.00 0.00 N ATOM 521 CA HIS A 35 78.025 0.914 -2.813 1.00 0.00 C ATOM 522 C HIS A 35 79.210 0.966 -3.776 1.00 0.00 C ATOM 523 O HIS A 35 80.366 0.930 -3.356 1.00 0.00 O ATOM 524 CB HIS A 35 77.928 2.224 -2.028 1.00 0.00 C ATOM 525 CG HIS A 35 76.583 2.874 -2.123 1.00 0.00 C ATOM 526 ND1 HIS A 35 76.292 3.882 -3.017 1.00 0.00 N ATOM 527 CD2 HIS A 35 75.439 2.652 -1.431 1.00 0.00 C ATOM 528 CE1 HIS A 35 75.032 4.252 -2.875 1.00 0.00 C ATOM 529 NE2 HIS A 35 74.491 3.521 -1.917 1.00 0.00 N ATOM 0 H HIS A 35 78.787 -0.076 -1.126 1.00 0.00 H new ATOM 0 HA HIS A 35 77.115 0.783 -3.398 1.00 0.00 H new ATOM 0 HB2 HIS A 35 78.156 2.029 -0.980 1.00 0.00 H new ATOM 0 HB3 HIS A 35 78.685 2.917 -2.396 1.00 0.00 H new ATOM 0 HD1 HIS A 35 76.950 4.281 -3.686 1.00 0.00 H new ATOM 0 HD2 HIS A 35 75.298 1.927 -0.643 1.00 0.00 H new ATOM 0 HE1 HIS A 35 74.530 5.020 -3.444 1.00 0.00 H new ATOM 537 N PHE A 36 78.913 1.059 -5.068 1.00 0.00 N ATOM 538 CA PHE A 36 79.956 1.110 -6.091 1.00 0.00 C ATOM 539 C PHE A 36 79.776 2.315 -7.014 1.00 0.00 C ATOM 540 O PHE A 36 78.672 2.593 -7.485 1.00 0.00 O ATOM 541 CB PHE A 36 79.953 -0.181 -6.912 1.00 0.00 C ATOM 542 CG PHE A 36 80.801 -1.274 -6.326 1.00 0.00 C ATOM 543 CD1 PHE A 36 80.222 -2.435 -5.844 1.00 0.00 C ATOM 544 CD2 PHE A 36 82.179 -1.138 -6.256 1.00 0.00 C ATOM 545 CE1 PHE A 36 80.999 -3.442 -5.303 1.00 0.00 C ATOM 546 CE2 PHE A 36 82.961 -2.140 -5.717 1.00 0.00 C ATOM 547 CZ PHE A 36 82.371 -3.294 -5.240 1.00 0.00 C ATOM 0 H PHE A 36 77.961 1.101 -5.433 1.00 0.00 H new ATOM 0 HA PHE A 36 80.915 1.214 -5.584 1.00 0.00 H new ATOM 0 HB2 PHE A 36 78.928 -0.539 -7.005 1.00 0.00 H new ATOM 0 HB3 PHE A 36 80.306 0.039 -7.920 1.00 0.00 H new ATOM 0 HD1 PHE A 36 79.150 -2.556 -5.891 1.00 0.00 H new ATOM 0 HD2 PHE A 36 82.646 -0.238 -6.627 1.00 0.00 H new ATOM 0 HE1 PHE A 36 80.534 -4.343 -4.930 1.00 0.00 H new ATOM 0 HE2 PHE A 36 84.033 -2.021 -5.668 1.00 0.00 H new ATOM 0 HZ PHE A 36 82.981 -4.079 -4.819 1.00 0.00 H new ATOM 557 N LYS A 37 80.869 3.024 -7.277 1.00 0.00 N ATOM 558 CA LYS A 37 80.834 4.199 -8.148 1.00 0.00 C ATOM 559 C LYS A 37 81.207 3.828 -9.586 1.00 0.00 C ATOM 560 O LYS A 37 82.270 4.200 -10.084 1.00 0.00 O ATOM 561 CB LYS A 37 81.784 5.282 -7.623 1.00 0.00 C ATOM 562 CG LYS A 37 81.718 5.479 -6.116 1.00 0.00 C ATOM 563 CD LYS A 37 82.565 6.662 -5.669 1.00 0.00 C ATOM 564 CE LYS A 37 83.947 6.222 -5.208 1.00 0.00 C ATOM 565 NZ LYS A 37 84.188 6.556 -3.777 1.00 0.00 N ATOM 0 H LYS A 37 81.792 2.807 -6.900 1.00 0.00 H new ATOM 0 HA LYS A 37 79.816 4.588 -8.146 1.00 0.00 H new ATOM 0 HB2 LYS A 37 82.805 5.022 -7.902 1.00 0.00 H new ATOM 0 HB3 LYS A 37 81.550 6.227 -8.114 1.00 0.00 H new ATOM 0 HG2 LYS A 37 80.683 5.637 -5.814 1.00 0.00 H new ATOM 0 HG3 LYS A 37 82.062 4.574 -5.615 1.00 0.00 H new ATOM 0 HD2 LYS A 37 82.664 7.370 -6.492 1.00 0.00 H new ATOM 0 HD3 LYS A 37 82.060 7.185 -4.857 1.00 0.00 H new ATOM 0 HE2 LYS A 37 84.053 5.147 -5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 37 84.706 6.703 -5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 85.140 6.240 -3.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 84.113 7.585 -3.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 83.480 6.077 -3.185 1.00 0.00 H new ATOM 579 N VAL A 38 80.323 3.088 -10.249 1.00 0.00 N ATOM 580 CA VAL A 38 80.556 2.662 -11.629 1.00 0.00 C ATOM 581 C VAL A 38 79.504 3.250 -12.568 1.00 0.00 C ATOM 582 O VAL A 38 78.318 3.282 -12.243 1.00 0.00 O ATOM 583 CB VAL A 38 80.551 1.120 -11.775 1.00 0.00 C ATOM 584 CG1 VAL A 38 81.398 0.691 -12.964 1.00 0.00 C ATOM 585 CG2 VAL A 38 81.042 0.442 -10.502 1.00 0.00 C ATOM 0 H VAL A 38 79.438 2.770 -9.854 1.00 0.00 H new ATOM 0 HA VAL A 38 81.544 3.033 -11.901 1.00 0.00 H new ATOM 0 HB VAL A 38 79.522 0.807 -11.948 1.00 0.00 H new ATOM 0 HG11 VAL A 38 81.382 -0.396 -13.049 1.00 0.00 H new ATOM 0 HG12 VAL A 38 80.996 1.133 -13.876 1.00 0.00 H new ATOM 0 HG13 VAL A 38 82.425 1.028 -12.820 1.00 0.00 H new ATOM 0 HG21 VAL A 38 81.027 -0.640 -10.637 1.00 0.00 H new ATOM 0 HG22 VAL A 38 82.060 0.766 -10.286 1.00 0.00 H new ATOM 0 HG23 VAL A 38 80.391 0.713 -9.671 1.00 0.00 H new ATOM 595 N LYS A 39 79.951 3.709 -13.739 1.00 0.00 N ATOM 596 CA LYS A 39 79.056 4.299 -14.733 1.00 0.00 C ATOM 597 C LYS A 39 78.014 3.290 -15.223 1.00 0.00 C ATOM 598 O LYS A 39 78.307 2.105 -15.379 1.00 0.00 O ATOM 599 CB LYS A 39 79.862 4.831 -15.919 1.00 0.00 C ATOM 600 CG LYS A 39 79.356 6.161 -16.454 1.00 0.00 C ATOM 601 CD LYS A 39 80.348 6.785 -17.423 1.00 0.00 C ATOM 602 CE LYS A 39 79.641 7.533 -18.543 1.00 0.00 C ATOM 603 NZ LYS A 39 79.826 6.865 -19.862 1.00 0.00 N ATOM 0 H LYS A 39 80.931 3.683 -14.021 1.00 0.00 H new ATOM 0 HA LYS A 39 78.527 5.123 -14.254 1.00 0.00 H new ATOM 0 HB2 LYS A 39 80.904 4.943 -15.618 1.00 0.00 H new ATOM 0 HB3 LYS A 39 79.840 4.094 -16.722 1.00 0.00 H new ATOM 0 HG2 LYS A 39 78.400 6.013 -16.956 1.00 0.00 H new ATOM 0 HG3 LYS A 39 79.178 6.844 -15.624 1.00 0.00 H new ATOM 0 HD2 LYS A 39 81.003 7.470 -16.884 1.00 0.00 H new ATOM 0 HD3 LYS A 39 80.982 6.006 -17.848 1.00 0.00 H new ATOM 0 HE2 LYS A 39 78.577 7.602 -18.318 1.00 0.00 H new ATOM 0 HE3 LYS A 39 80.023 8.553 -18.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 79.493 7.495 -20.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 80.834 6.653 -20.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 79.280 5.980 -19.883 1.00 0.00 H new ATOM 617 N MET A 40 76.800 3.774 -15.475 1.00 0.00 N ATOM 618 CA MET A 40 75.705 2.920 -15.941 1.00 0.00 C ATOM 619 C MET A 40 75.932 2.416 -17.375 1.00 0.00 C ATOM 620 O MET A 40 75.319 1.436 -17.797 1.00 0.00 O ATOM 621 CB MET A 40 74.376 3.677 -15.859 1.00 0.00 C ATOM 622 CG MET A 40 73.770 3.689 -14.464 1.00 0.00 C ATOM 623 SD MET A 40 72.485 4.945 -14.266 1.00 0.00 S ATOM 624 CE MET A 40 71.454 4.644 -15.701 1.00 0.00 C ATOM 0 H MET A 40 76.547 4.756 -15.365 1.00 0.00 H new ATOM 0 HA MET A 40 75.673 2.048 -15.288 1.00 0.00 H new ATOM 0 HB2 MET A 40 74.531 4.705 -16.188 1.00 0.00 H new ATOM 0 HB3 MET A 40 73.666 3.225 -16.551 1.00 0.00 H new ATOM 0 HG2 MET A 40 73.348 2.707 -14.248 1.00 0.00 H new ATOM 0 HG3 MET A 40 74.559 3.865 -13.732 1.00 0.00 H new ATOM 0 HE1 MET A 40 70.518 5.194 -15.598 1.00 0.00 H new ATOM 0 HE2 MET A 40 71.974 4.977 -16.599 1.00 0.00 H new ATOM 0 HE3 MET A 40 71.242 3.578 -15.779 1.00 0.00 H new ATOM 634 N THR A 41 76.813 3.083 -18.127 1.00 0.00 N ATOM 635 CA THR A 41 77.106 2.683 -19.506 1.00 0.00 C ATOM 636 C THR A 41 78.214 1.623 -19.555 1.00 0.00 C ATOM 637 O THR A 41 79.175 1.739 -20.321 1.00 0.00 O ATOM 638 CB THR A 41 77.523 3.901 -20.359 1.00 0.00 C ATOM 639 OG1 THR A 41 78.878 4.277 -20.067 1.00 0.00 O ATOM 640 CG2 THR A 41 76.607 5.083 -20.091 1.00 0.00 C ATOM 0 H THR A 41 77.334 3.899 -17.805 1.00 0.00 H new ATOM 0 HA THR A 41 76.192 2.255 -19.918 1.00 0.00 H new ATOM 0 HB THR A 41 77.444 3.618 -21.409 1.00 0.00 H new ATOM 0 HG1 THR A 41 79.480 3.542 -20.306 1.00 0.00 H new ATOM 0 HG21 THR A 41 76.918 5.930 -20.702 1.00 0.00 H new ATOM 0 HG22 THR A 41 75.581 4.812 -20.341 1.00 0.00 H new ATOM 0 HG23 THR A 41 76.663 5.355 -19.037 1.00 0.00 H new ATOM 648 N THR A 42 78.071 0.586 -18.741 1.00 0.00 N ATOM 649 CA THR A 42 79.061 -0.484 -18.675 1.00 0.00 C ATOM 650 C THR A 42 78.403 -1.866 -18.626 1.00 0.00 C ATOM 651 O THR A 42 77.223 -1.991 -18.298 1.00 0.00 O ATOM 652 CB THR A 42 79.992 -0.292 -17.457 1.00 0.00 C ATOM 653 OG1 THR A 42 81.257 -0.923 -17.695 1.00 0.00 O ATOM 654 CG2 THR A 42 79.375 -0.854 -16.181 1.00 0.00 C ATOM 0 H THR A 42 77.276 0.462 -18.114 1.00 0.00 H new ATOM 0 HA THR A 42 79.656 -0.431 -19.587 1.00 0.00 H new ATOM 0 HB THR A 42 80.135 0.780 -17.322 1.00 0.00 H new ATOM 0 HG1 THR A 42 81.839 -0.793 -16.917 1.00 0.00 H new ATOM 0 HG21 THR A 42 80.060 -0.700 -15.347 1.00 0.00 H new ATOM 0 HG22 THR A 42 78.434 -0.344 -15.977 1.00 0.00 H new ATOM 0 HG23 THR A 42 79.190 -1.921 -16.306 1.00 0.00 H new ATOM 662 N HIS A 43 79.172 -2.900 -18.971 1.00 0.00 N ATOM 663 CA HIS A 43 78.671 -4.277 -18.962 1.00 0.00 C ATOM 664 C HIS A 43 78.407 -4.755 -17.530 1.00 0.00 C ATOM 665 O HIS A 43 79.128 -4.388 -16.603 1.00 0.00 O ATOM 666 CB HIS A 43 79.671 -5.211 -19.639 1.00 0.00 C ATOM 667 CG HIS A 43 79.330 -5.546 -21.060 1.00 0.00 C ATOM 668 ND1 HIS A 43 80.237 -6.081 -21.944 1.00 0.00 N ATOM 669 CD2 HIS A 43 78.167 -5.435 -21.744 1.00 0.00 C ATOM 670 CE1 HIS A 43 79.653 -6.287 -23.108 1.00 0.00 C ATOM 671 NE2 HIS A 43 78.392 -5.904 -23.016 1.00 0.00 N ATOM 0 H HIS A 43 80.146 -2.811 -19.261 1.00 0.00 H new ATOM 0 HA HIS A 43 77.731 -4.295 -19.514 1.00 0.00 H new ATOM 0 HB2 HIS A 43 80.658 -4.750 -19.613 1.00 0.00 H new ATOM 0 HB3 HIS A 43 79.735 -6.135 -19.064 1.00 0.00 H new ATOM 0 HD2 HIS A 43 77.234 -5.049 -21.361 1.00 0.00 H new ATOM 0 HE1 HIS A 43 80.125 -6.699 -23.988 1.00 0.00 H new ATOM 0 HE2 HIS A 43 77.701 -5.949 -23.764 1.00 0.00 H new ATOM 679 N LEU A 44 77.388 -5.598 -17.356 1.00 0.00 N ATOM 680 CA LEU A 44 77.034 -6.099 -16.024 1.00 0.00 C ATOM 681 C LEU A 44 78.090 -7.046 -15.422 1.00 0.00 C ATOM 682 O LEU A 44 78.084 -7.282 -14.213 1.00 0.00 O ATOM 683 CB LEU A 44 75.670 -6.789 -16.063 1.00 0.00 C ATOM 684 CG LEU A 44 74.536 -6.034 -15.355 1.00 0.00 C ATOM 685 CD1 LEU A 44 74.706 -6.095 -13.848 1.00 0.00 C ATOM 686 CD2 LEU A 44 74.472 -4.586 -15.820 1.00 0.00 C ATOM 0 H LEU A 44 76.798 -5.946 -18.111 1.00 0.00 H new ATOM 0 HA LEU A 44 76.992 -5.228 -15.370 1.00 0.00 H new ATOM 0 HB2 LEU A 44 75.388 -6.943 -17.105 1.00 0.00 H new ATOM 0 HB3 LEU A 44 75.767 -7.776 -15.610 1.00 0.00 H new ATOM 0 HG LEU A 44 73.597 -6.521 -15.618 1.00 0.00 H new ATOM 0 HD11 LEU A 44 73.891 -5.553 -13.368 1.00 0.00 H new ATOM 0 HD12 LEU A 44 74.692 -7.135 -13.522 1.00 0.00 H new ATOM 0 HD13 LEU A 44 75.657 -5.640 -13.570 1.00 0.00 H new ATOM 0 HD21 LEU A 44 73.660 -4.073 -15.303 1.00 0.00 H new ATOM 0 HD22 LEU A 44 75.416 -4.090 -15.595 1.00 0.00 H new ATOM 0 HD23 LEU A 44 74.294 -4.557 -16.895 1.00 0.00 H new ATOM 698 N LYS A 45 79.006 -7.577 -16.243 1.00 0.00 N ATOM 699 CA LYS A 45 80.043 -8.483 -15.739 1.00 0.00 C ATOM 700 C LYS A 45 80.984 -7.766 -14.764 1.00 0.00 C ATOM 701 O LYS A 45 81.540 -8.383 -13.855 1.00 0.00 O ATOM 702 CB LYS A 45 80.833 -9.111 -16.902 1.00 0.00 C ATOM 703 CG LYS A 45 81.926 -8.223 -17.485 1.00 0.00 C ATOM 704 CD LYS A 45 83.314 -8.703 -17.086 1.00 0.00 C ATOM 705 CE LYS A 45 83.785 -9.847 -17.971 1.00 0.00 C ATOM 706 NZ LYS A 45 84.885 -10.626 -17.337 1.00 0.00 N ATOM 0 H LYS A 45 79.050 -7.397 -17.246 1.00 0.00 H new ATOM 0 HA LYS A 45 79.547 -9.284 -15.192 1.00 0.00 H new ATOM 0 HB2 LYS A 45 81.286 -10.040 -16.555 1.00 0.00 H new ATOM 0 HB3 LYS A 45 80.135 -9.373 -17.697 1.00 0.00 H new ATOM 0 HG2 LYS A 45 81.844 -8.211 -18.572 1.00 0.00 H new ATOM 0 HG3 LYS A 45 81.783 -7.198 -17.143 1.00 0.00 H new ATOM 0 HD2 LYS A 45 84.020 -7.875 -17.154 1.00 0.00 H new ATOM 0 HD3 LYS A 45 83.303 -9.028 -16.046 1.00 0.00 H new ATOM 0 HE2 LYS A 45 82.946 -10.510 -18.183 1.00 0.00 H new ATOM 0 HE3 LYS A 45 84.126 -9.449 -18.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 84.884 -11.596 -17.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 85.797 -10.174 -17.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 84.743 -10.652 -16.307 1.00 0.00 H new ATOM 720 N LYS A 46 81.144 -6.452 -14.946 1.00 0.00 N ATOM 721 CA LYS A 46 82.006 -5.652 -14.079 1.00 0.00 C ATOM 722 C LYS A 46 81.334 -5.392 -12.729 1.00 0.00 C ATOM 723 O LYS A 46 81.998 -5.077 -11.740 1.00 0.00 O ATOM 724 CB LYS A 46 82.345 -4.318 -14.752 1.00 0.00 C ATOM 725 CG LYS A 46 83.198 -4.462 -16.004 1.00 0.00 C ATOM 726 CD LYS A 46 82.463 -3.963 -17.238 1.00 0.00 C ATOM 727 CE LYS A 46 83.413 -3.736 -18.403 1.00 0.00 C ATOM 728 NZ LYS A 46 83.289 -2.359 -18.964 1.00 0.00 N ATOM 0 H LYS A 46 80.686 -5.922 -15.687 1.00 0.00 H new ATOM 0 HA LYS A 46 82.925 -6.213 -13.908 1.00 0.00 H new ATOM 0 HB2 LYS A 46 81.418 -3.807 -15.012 1.00 0.00 H new ATOM 0 HB3 LYS A 46 82.869 -3.684 -14.037 1.00 0.00 H new ATOM 0 HG2 LYS A 46 84.125 -3.903 -15.880 1.00 0.00 H new ATOM 0 HG3 LYS A 46 83.472 -5.508 -16.141 1.00 0.00 H new ATOM 0 HD2 LYS A 46 81.701 -4.687 -17.525 1.00 0.00 H new ATOM 0 HD3 LYS A 46 81.946 -3.033 -17.003 1.00 0.00 H new ATOM 0 HE2 LYS A 46 84.438 -3.902 -18.073 1.00 0.00 H new ATOM 0 HE3 LYS A 46 83.208 -4.466 -19.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 83.077 -2.416 -19.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 82.521 -1.854 -18.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 84.183 -1.846 -18.825 1.00 0.00 H new ATOM 742 N LEU A 47 80.011 -5.536 -12.697 1.00 0.00 N ATOM 743 CA LEU A 47 79.237 -5.327 -11.479 1.00 0.00 C ATOM 744 C LEU A 47 79.251 -6.577 -10.594 1.00 0.00 C ATOM 745 O LEU A 47 79.389 -6.487 -9.375 1.00 0.00 O ATOM 746 CB LEU A 47 77.797 -4.952 -11.833 1.00 0.00 C ATOM 747 CG LEU A 47 77.186 -3.835 -10.989 1.00 0.00 C ATOM 748 CD1 LEU A 47 76.282 -2.954 -11.839 1.00 0.00 C ATOM 749 CD2 LEU A 47 76.414 -4.424 -9.819 1.00 0.00 C ATOM 0 H LEU A 47 79.451 -5.799 -13.508 1.00 0.00 H new ATOM 0 HA LEU A 47 79.696 -4.511 -10.920 1.00 0.00 H new ATOM 0 HB2 LEU A 47 77.764 -4.653 -12.881 1.00 0.00 H new ATOM 0 HB3 LEU A 47 77.173 -5.841 -11.736 1.00 0.00 H new ATOM 0 HG LEU A 47 77.992 -3.215 -10.597 1.00 0.00 H new ATOM 0 HD11 LEU A 47 75.856 -2.164 -11.220 1.00 0.00 H new ATOM 0 HD12 LEU A 47 76.863 -2.508 -12.646 1.00 0.00 H new ATOM 0 HD13 LEU A 47 75.478 -3.557 -12.261 1.00 0.00 H new ATOM 0 HD21 LEU A 47 75.983 -3.618 -9.225 1.00 0.00 H new ATOM 0 HD22 LEU A 47 75.616 -5.064 -10.195 1.00 0.00 H new ATOM 0 HD23 LEU A 47 77.089 -5.012 -9.197 1.00 0.00 H new ATOM 761 N LYS A 48 79.110 -7.746 -11.217 1.00 0.00 N ATOM 762 CA LYS A 48 79.115 -9.011 -10.482 1.00 0.00 C ATOM 763 C LYS A 48 80.522 -9.358 -9.987 1.00 0.00 C ATOM 764 O LYS A 48 80.706 -9.739 -8.832 1.00 0.00 O ATOM 765 CB LYS A 48 78.585 -10.147 -11.363 1.00 0.00 C ATOM 766 CG LYS A 48 77.072 -10.159 -11.518 1.00 0.00 C ATOM 767 CD LYS A 48 76.657 -9.958 -12.971 1.00 0.00 C ATOM 768 CE LYS A 48 76.403 -11.287 -13.673 1.00 0.00 C ATOM 769 NZ LYS A 48 77.671 -11.982 -14.036 1.00 0.00 N ATOM 0 H LYS A 48 78.991 -7.844 -12.225 1.00 0.00 H new ATOM 0 HA LYS A 48 78.462 -8.892 -9.617 1.00 0.00 H new ATOM 0 HB2 LYS A 48 79.040 -10.069 -12.350 1.00 0.00 H new ATOM 0 HB3 LYS A 48 78.904 -11.100 -10.940 1.00 0.00 H new ATOM 0 HG2 LYS A 48 76.675 -11.106 -11.153 1.00 0.00 H new ATOM 0 HG3 LYS A 48 76.636 -9.373 -10.902 1.00 0.00 H new ATOM 0 HD2 LYS A 48 75.755 -9.347 -13.011 1.00 0.00 H new ATOM 0 HD3 LYS A 48 77.437 -9.410 -13.500 1.00 0.00 H new ATOM 0 HE2 LYS A 48 75.810 -11.932 -13.024 1.00 0.00 H new ATOM 0 HE3 LYS A 48 75.815 -11.114 -14.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 77.688 -12.161 -15.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 78.481 -11.384 -13.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 77.730 -12.886 -13.525 1.00 0.00 H new ATOM 783 N GLU A 49 81.513 -9.205 -10.868 1.00 0.00 N ATOM 784 CA GLU A 49 82.909 -9.508 -10.536 1.00 0.00 C ATOM 785 C GLU A 49 83.427 -8.661 -9.367 1.00 0.00 C ATOM 786 O GLU A 49 84.254 -9.118 -8.581 1.00 0.00 O ATOM 787 CB GLU A 49 83.803 -9.294 -11.760 1.00 0.00 C ATOM 788 CG GLU A 49 84.439 -10.572 -12.284 1.00 0.00 C ATOM 789 CD GLU A 49 85.360 -10.323 -13.464 1.00 0.00 C ATOM 790 OE1 GLU A 49 86.492 -9.843 -13.245 1.00 0.00 O ATOM 791 OE2 GLU A 49 84.950 -10.614 -14.612 1.00 0.00 O ATOM 0 H GLU A 49 81.374 -8.871 -11.822 1.00 0.00 H new ATOM 0 HA GLU A 49 82.944 -10.553 -10.229 1.00 0.00 H new ATOM 0 HB2 GLU A 49 83.212 -8.840 -12.556 1.00 0.00 H new ATOM 0 HB3 GLU A 49 84.591 -8.585 -11.504 1.00 0.00 H new ATOM 0 HG2 GLU A 49 85.003 -11.049 -11.482 1.00 0.00 H new ATOM 0 HG3 GLU A 49 83.655 -11.269 -12.580 1.00 0.00 H new ATOM 798 N SER A 50 82.930 -7.430 -9.251 1.00 0.00 N ATOM 799 CA SER A 50 83.358 -6.535 -8.176 1.00 0.00 C ATOM 800 C SER A 50 82.616 -6.848 -6.878 1.00 0.00 C ATOM 801 O SER A 50 83.221 -6.920 -5.808 1.00 0.00 O ATOM 802 CB SER A 50 83.139 -5.071 -8.568 1.00 0.00 C ATOM 803 OG SER A 50 81.859 -4.879 -9.141 1.00 0.00 O ATOM 0 H SER A 50 82.236 -7.032 -9.883 1.00 0.00 H new ATOM 0 HA SER A 50 84.424 -6.696 -8.013 1.00 0.00 H new ATOM 0 HB2 SER A 50 83.245 -4.437 -7.688 1.00 0.00 H new ATOM 0 HB3 SER A 50 83.907 -4.763 -9.277 1.00 0.00 H new ATOM 0 HG SER A 50 81.925 -4.938 -10.117 1.00 0.00 H new ATOM 809 N TYR A 51 81.301 -7.037 -6.984 1.00 0.00 N ATOM 810 CA TYR A 51 80.464 -7.357 -5.820 1.00 0.00 C ATOM 811 C TYR A 51 80.915 -8.659 -5.140 1.00 0.00 C ATOM 812 O TYR A 51 81.083 -8.703 -3.918 1.00 0.00 O ATOM 813 CB TYR A 51 78.979 -7.453 -6.226 1.00 0.00 C ATOM 814 CG TYR A 51 78.163 -8.377 -5.349 1.00 0.00 C ATOM 815 CD1 TYR A 51 77.833 -8.022 -4.048 1.00 0.00 C ATOM 816 CD2 TYR A 51 77.733 -9.611 -5.820 1.00 0.00 C ATOM 817 CE1 TYR A 51 77.103 -8.871 -3.241 1.00 0.00 C ATOM 818 CE2 TYR A 51 76.999 -10.465 -5.019 1.00 0.00 C ATOM 819 CZ TYR A 51 76.687 -10.089 -3.729 1.00 0.00 C ATOM 820 OH TYR A 51 75.963 -10.937 -2.922 1.00 0.00 O ATOM 0 H TYR A 51 80.789 -6.975 -7.864 1.00 0.00 H new ATOM 0 HA TYR A 51 80.581 -6.546 -5.101 1.00 0.00 H new ATOM 0 HB2 TYR A 51 78.539 -6.456 -6.196 1.00 0.00 H new ATOM 0 HB3 TYR A 51 78.916 -7.798 -7.258 1.00 0.00 H new ATOM 0 HD1 TYR A 51 78.153 -7.066 -3.661 1.00 0.00 H new ATOM 0 HD2 TYR A 51 77.976 -9.908 -6.829 1.00 0.00 H new ATOM 0 HE1 TYR A 51 76.859 -8.581 -2.230 1.00 0.00 H new ATOM 0 HE2 TYR A 51 76.672 -11.421 -5.401 1.00 0.00 H new ATOM 0 HH TYR A 51 76.277 -10.856 -1.997 1.00 0.00 H new ATOM 830 N CYS A 52 81.118 -9.716 -5.932 1.00 0.00 N ATOM 831 CA CYS A 52 81.537 -11.019 -5.392 1.00 0.00 C ATOM 832 C CYS A 52 82.878 -10.933 -4.661 1.00 0.00 C ATOM 833 O CYS A 52 83.056 -11.542 -3.606 1.00 0.00 O ATOM 834 CB CYS A 52 81.631 -12.077 -6.500 1.00 0.00 C ATOM 835 SG CYS A 52 80.072 -12.387 -7.361 1.00 0.00 S ATOM 0 H CYS A 52 81.000 -9.699 -6.945 1.00 0.00 H new ATOM 0 HA CYS A 52 80.771 -11.315 -4.675 1.00 0.00 H new ATOM 0 HB2 CYS A 52 82.378 -11.760 -7.227 1.00 0.00 H new ATOM 0 HB3 CYS A 52 81.986 -13.012 -6.066 1.00 0.00 H new ATOM 0 HG CYS A 52 79.856 -11.438 -8.223 1.00 0.00 H new ATOM 841 N GLN A 53 83.814 -10.171 -5.223 1.00 0.00 N ATOM 842 CA GLN A 53 85.138 -10.007 -4.624 1.00 0.00 C ATOM 843 C GLN A 53 85.070 -9.186 -3.325 1.00 0.00 C ATOM 844 O GLN A 53 85.860 -9.399 -2.405 1.00 0.00 O ATOM 845 CB GLN A 53 86.096 -9.364 -5.644 1.00 0.00 C ATOM 846 CG GLN A 53 86.807 -8.113 -5.151 1.00 0.00 C ATOM 847 CD GLN A 53 88.299 -8.139 -5.426 1.00 0.00 C ATOM 848 OE1 GLN A 53 88.753 -7.745 -6.496 1.00 0.00 O ATOM 849 NE2 GLN A 53 89.071 -8.609 -4.461 1.00 0.00 N ATOM 0 H GLN A 53 83.680 -9.656 -6.094 1.00 0.00 H new ATOM 0 HA GLN A 53 85.522 -10.992 -4.357 1.00 0.00 H new ATOM 0 HB2 GLN A 53 86.846 -10.101 -5.932 1.00 0.00 H new ATOM 0 HB3 GLN A 53 85.533 -9.114 -6.543 1.00 0.00 H new ATOM 0 HG2 GLN A 53 86.369 -7.238 -5.631 1.00 0.00 H new ATOM 0 HG3 GLN A 53 86.641 -8.005 -4.079 1.00 0.00 H new ATOM 0 HE21 GLN A 53 88.656 -8.927 -3.585 1.00 0.00 H new ATOM 0 HE22 GLN A 53 90.082 -8.653 -4.592 1.00 0.00 H new ATOM 858 N ARG A 54 84.118 -8.253 -3.257 1.00 0.00 N ATOM 859 CA ARG A 54 83.944 -7.416 -2.068 1.00 0.00 C ATOM 860 C ARG A 54 83.238 -8.183 -0.947 1.00 0.00 C ATOM 861 O ARG A 54 83.585 -8.044 0.226 1.00 0.00 O ATOM 862 CB ARG A 54 83.148 -6.155 -2.419 1.00 0.00 C ATOM 863 CG ARG A 54 83.764 -4.873 -1.876 1.00 0.00 C ATOM 864 CD ARG A 54 83.450 -4.684 -0.399 1.00 0.00 C ATOM 865 NE ARG A 54 84.564 -4.078 0.326 1.00 0.00 N ATOM 866 CZ ARG A 54 85.380 -4.745 1.130 1.00 0.00 C ATOM 867 NH1 ARG A 54 85.232 -6.034 1.324 1.00 0.00 N ATOM 868 NH2 ARG A 54 86.352 -4.116 1.743 1.00 0.00 N ATOM 0 H ARG A 54 83.457 -8.058 -4.009 1.00 0.00 H new ATOM 0 HA ARG A 54 84.934 -7.129 -1.713 1.00 0.00 H new ATOM 0 HB2 ARG A 54 83.066 -6.078 -3.503 1.00 0.00 H new ATOM 0 HB3 ARG A 54 82.135 -6.255 -2.029 1.00 0.00 H new ATOM 0 HG2 ARG A 54 84.844 -4.899 -2.019 1.00 0.00 H new ATOM 0 HG3 ARG A 54 83.388 -4.020 -2.441 1.00 0.00 H new ATOM 0 HD2 ARG A 54 82.565 -4.056 -0.294 1.00 0.00 H new ATOM 0 HD3 ARG A 54 83.210 -5.649 0.047 1.00 0.00 H new ATOM 0 HE ARG A 54 84.724 -3.078 0.206 1.00 0.00 H new ATOM 0 HH11 ARG A 54 84.480 -6.538 0.853 1.00 0.00 H new ATOM 0 HH12 ARG A 54 85.869 -6.533 1.946 1.00 0.00 H new ATOM 0 HH21 ARG A 54 86.480 -3.114 1.601 1.00 0.00 H new ATOM 0 HH22 ARG A 54 86.980 -4.628 2.362 1.00 0.00 H new ATOM 882 N GLN A 55 82.238 -8.982 -1.317 1.00 0.00 N ATOM 883 CA GLN A 55 81.487 -9.782 -0.335 1.00 0.00 C ATOM 884 C GLN A 55 82.291 -11.006 0.124 1.00 0.00 C ATOM 885 O GLN A 55 82.343 -11.311 1.316 1.00 0.00 O ATOM 886 CB GLN A 55 80.121 -10.230 -0.902 1.00 0.00 C ATOM 887 CG GLN A 55 79.342 -11.170 0.013 1.00 0.00 C ATOM 888 CD GLN A 55 77.966 -10.640 0.368 1.00 0.00 C ATOM 889 OE1 GLN A 55 77.044 -10.669 -0.447 1.00 0.00 O ATOM 890 NE2 GLN A 55 77.815 -10.158 1.590 1.00 0.00 N ATOM 0 H GLN A 55 81.926 -9.096 -2.281 1.00 0.00 H new ATOM 0 HA GLN A 55 81.311 -9.142 0.529 1.00 0.00 H new ATOM 0 HB2 GLN A 55 79.514 -9.346 -1.098 1.00 0.00 H new ATOM 0 HB3 GLN A 55 80.282 -10.725 -1.860 1.00 0.00 H new ATOM 0 HG2 GLN A 55 79.238 -12.140 -0.474 1.00 0.00 H new ATOM 0 HG3 GLN A 55 79.911 -11.332 0.928 1.00 0.00 H new ATOM 0 HE21 GLN A 55 78.604 -10.151 2.237 1.00 0.00 H new ATOM 0 HE22 GLN A 55 76.910 -9.793 1.886 1.00 0.00 H new ATOM 899 N GLY A 56 82.913 -11.705 -0.824 1.00 0.00 N ATOM 900 CA GLY A 56 83.698 -12.884 -0.489 1.00 0.00 C ATOM 901 C GLY A 56 82.980 -14.181 -0.825 1.00 0.00 C ATOM 902 O GLY A 56 83.027 -15.144 -0.061 1.00 0.00 O ATOM 0 H GLY A 56 82.888 -11.476 -1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 56 84.646 -12.849 -1.026 1.00 0.00 H new ATOM 0 HA3 GLY A 56 83.933 -12.869 0.575 1.00 0.00 H new ATOM 906 N VAL A 57 82.319 -14.209 -1.981 1.00 0.00 N ATOM 907 CA VAL A 57 81.580 -15.395 -2.419 1.00 0.00 C ATOM 908 C VAL A 57 81.868 -15.719 -3.888 1.00 0.00 C ATOM 909 O VAL A 57 82.266 -14.841 -4.656 1.00 0.00 O ATOM 910 CB VAL A 57 80.054 -15.217 -2.234 1.00 0.00 C ATOM 911 CG1 VAL A 57 79.631 -15.618 -0.828 1.00 0.00 C ATOM 912 CG2 VAL A 57 79.631 -13.786 -2.535 1.00 0.00 C ATOM 0 H VAL A 57 82.279 -13.425 -2.632 1.00 0.00 H new ATOM 0 HA VAL A 57 81.920 -16.221 -1.794 1.00 0.00 H new ATOM 0 HB VAL A 57 79.551 -15.874 -2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 57 78.555 -15.485 -0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 57 79.887 -16.663 -0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 57 80.149 -14.993 -0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 57 78.554 -13.688 -2.397 1.00 0.00 H new ATOM 0 HG22 VAL A 57 80.147 -13.104 -1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 57 79.889 -13.539 -3.565 1.00 0.00 H new ATOM 922 N PRO A 58 81.681 -16.992 -4.300 1.00 0.00 N ATOM 923 CA PRO A 58 81.916 -17.424 -5.685 1.00 0.00 C ATOM 924 C PRO A 58 80.949 -16.776 -6.680 1.00 0.00 C ATOM 925 O PRO A 58 79.772 -16.577 -6.380 1.00 0.00 O ATOM 926 CB PRO A 58 81.690 -18.941 -5.646 1.00 0.00 C ATOM 927 CG PRO A 58 81.739 -19.313 -4.203 1.00 0.00 C ATOM 928 CD PRO A 58 81.245 -18.112 -3.450 1.00 0.00 C ATOM 0 HA PRO A 58 82.912 -17.136 -6.022 1.00 0.00 H new ATOM 0 HB2 PRO A 58 80.729 -19.206 -6.087 1.00 0.00 H new ATOM 0 HB3 PRO A 58 82.458 -19.467 -6.213 1.00 0.00 H new ATOM 0 HG2 PRO A 58 81.114 -20.183 -4.003 1.00 0.00 H new ATOM 0 HG3 PRO A 58 82.754 -19.573 -3.901 1.00 0.00 H new ATOM 0 HD2 PRO A 58 80.162 -18.129 -3.327 1.00 0.00 H new ATOM 0 HD3 PRO A 58 81.678 -18.054 -2.451 1.00 0.00 H new ATOM 936 N MET A 59 81.456 -16.470 -7.872 1.00 0.00 N ATOM 937 CA MET A 59 80.650 -15.841 -8.921 1.00 0.00 C ATOM 938 C MET A 59 79.575 -16.788 -9.466 1.00 0.00 C ATOM 939 O MET A 59 78.527 -16.348 -9.932 1.00 0.00 O ATOM 940 CB MET A 59 81.553 -15.375 -10.066 1.00 0.00 C ATOM 941 CG MET A 59 81.444 -13.889 -10.364 1.00 0.00 C ATOM 942 SD MET A 59 80.169 -13.521 -11.584 1.00 0.00 S ATOM 943 CE MET A 59 81.120 -12.612 -12.802 1.00 0.00 C ATOM 0 H MET A 59 82.425 -16.647 -8.138 1.00 0.00 H new ATOM 0 HA MET A 59 80.144 -14.985 -8.475 1.00 0.00 H new ATOM 0 HB2 MET A 59 82.588 -15.612 -9.820 1.00 0.00 H new ATOM 0 HB3 MET A 59 81.302 -15.936 -10.966 1.00 0.00 H new ATOM 0 HG2 MET A 59 81.225 -13.352 -9.441 1.00 0.00 H new ATOM 0 HG3 MET A 59 82.405 -13.523 -10.726 1.00 0.00 H new ATOM 0 HE1 MET A 59 80.538 -12.514 -13.719 1.00 0.00 H new ATOM 0 HE2 MET A 59 81.355 -11.621 -12.414 1.00 0.00 H new ATOM 0 HE3 MET A 59 82.045 -13.147 -13.015 1.00 0.00 H new ATOM 953 N ASN A 60 79.835 -18.090 -9.393 1.00 0.00 N ATOM 954 CA ASN A 60 78.883 -19.087 -9.888 1.00 0.00 C ATOM 955 C ASN A 60 78.056 -19.696 -8.752 1.00 0.00 C ATOM 956 O ASN A 60 77.718 -20.881 -8.785 1.00 0.00 O ATOM 957 CB ASN A 60 79.613 -20.200 -10.652 1.00 0.00 C ATOM 958 CG ASN A 60 80.014 -19.776 -12.052 1.00 0.00 C ATOM 959 OD1 ASN A 60 80.984 -19.048 -12.240 1.00 0.00 O ATOM 960 ND2 ASN A 60 79.268 -20.232 -13.044 1.00 0.00 N ATOM 0 H ASN A 60 80.691 -18.481 -8.999 1.00 0.00 H new ATOM 0 HA ASN A 60 78.201 -18.572 -10.565 1.00 0.00 H new ATOM 0 HB2 ASN A 60 80.503 -20.495 -10.096 1.00 0.00 H new ATOM 0 HB3 ASN A 60 78.969 -21.078 -10.712 1.00 0.00 H new ATOM 0 HD21 ASN A 60 79.491 -19.981 -14.007 1.00 0.00 H new ATOM 0 HD22 ASN A 60 78.470 -20.835 -12.846 1.00 0.00 H new ATOM 967 N SER A 61 77.730 -18.886 -7.748 1.00 0.00 N ATOM 968 CA SER A 61 76.935 -19.362 -6.614 1.00 0.00 C ATOM 969 C SER A 61 75.693 -18.496 -6.381 1.00 0.00 C ATOM 970 O SER A 61 74.667 -18.987 -5.910 1.00 0.00 O ATOM 971 CB SER A 61 77.786 -19.412 -5.340 1.00 0.00 C ATOM 972 OG SER A 61 76.992 -19.715 -4.203 1.00 0.00 O ATOM 0 H SER A 61 78.000 -17.904 -7.694 1.00 0.00 H new ATOM 0 HA SER A 61 76.598 -20.369 -6.859 1.00 0.00 H new ATOM 0 HB2 SER A 61 78.568 -20.163 -5.451 1.00 0.00 H new ATOM 0 HB3 SER A 61 78.284 -18.453 -5.194 1.00 0.00 H new ATOM 0 HG SER A 61 76.317 -20.384 -4.444 1.00 0.00 H new ATOM 978 N LEU A 62 75.772 -17.215 -6.733 1.00 0.00 N ATOM 979 CA LEU A 62 74.644 -16.306 -6.533 1.00 0.00 C ATOM 980 C LEU A 62 74.190 -15.663 -7.840 1.00 0.00 C ATOM 981 O LEU A 62 74.986 -15.440 -8.752 1.00 0.00 O ATOM 982 CB LEU A 62 74.998 -15.216 -5.512 1.00 0.00 C ATOM 983 CG LEU A 62 76.419 -15.280 -4.943 1.00 0.00 C ATOM 984 CD1 LEU A 62 77.252 -14.115 -5.453 1.00 0.00 C ATOM 985 CD2 LEU A 62 76.378 -15.284 -3.423 1.00 0.00 C ATOM 0 H LEU A 62 76.596 -16.785 -7.154 1.00 0.00 H new ATOM 0 HA LEU A 62 73.818 -16.904 -6.148 1.00 0.00 H new ATOM 0 HB2 LEU A 62 74.858 -14.243 -5.983 1.00 0.00 H new ATOM 0 HB3 LEU A 62 74.291 -15.275 -4.684 1.00 0.00 H new ATOM 0 HG LEU A 62 76.886 -16.206 -5.279 1.00 0.00 H new ATOM 0 HD11 LEU A 62 78.258 -14.178 -5.038 1.00 0.00 H new ATOM 0 HD12 LEU A 62 77.305 -14.155 -6.541 1.00 0.00 H new ATOM 0 HD13 LEU A 62 76.791 -13.176 -5.146 1.00 0.00 H new ATOM 0 HD21 LEU A 62 77.394 -15.330 -3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 62 75.894 -14.374 -3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 62 75.816 -16.152 -3.076 1.00 0.00 H new ATOM 997 N ARG A 63 72.897 -15.366 -7.916 1.00 0.00 N ATOM 998 CA ARG A 63 72.311 -14.749 -9.102 1.00 0.00 C ATOM 999 C ARG A 63 71.650 -13.413 -8.758 1.00 0.00 C ATOM 1000 O ARG A 63 70.984 -13.285 -7.729 1.00 0.00 O ATOM 1001 CB ARG A 63 71.278 -15.684 -9.741 1.00 0.00 C ATOM 1002 CG ARG A 63 70.537 -16.562 -8.742 1.00 0.00 C ATOM 1003 CD ARG A 63 69.085 -16.772 -9.143 1.00 0.00 C ATOM 1004 NE ARG A 63 68.158 -16.245 -8.143 1.00 0.00 N ATOM 1005 CZ ARG A 63 66.989 -16.795 -7.858 1.00 0.00 C ATOM 1006 NH1 ARG A 63 66.590 -17.875 -8.481 1.00 0.00 N ATOM 1007 NH2 ARG A 63 66.217 -16.262 -6.943 1.00 0.00 N ATOM 0 H ARG A 63 72.230 -15.544 -7.165 1.00 0.00 H new ATOM 0 HA ARG A 63 73.117 -14.567 -9.812 1.00 0.00 H new ATOM 0 HB2 ARG A 63 70.552 -15.085 -10.291 1.00 0.00 H new ATOM 0 HB3 ARG A 63 71.781 -16.322 -10.467 1.00 0.00 H new ATOM 0 HG2 ARG A 63 71.037 -17.528 -8.666 1.00 0.00 H new ATOM 0 HG3 ARG A 63 70.579 -16.103 -7.754 1.00 0.00 H new ATOM 0 HD2 ARG A 63 68.900 -16.286 -10.101 1.00 0.00 H new ATOM 0 HD3 ARG A 63 68.899 -17.837 -9.285 1.00 0.00 H new ATOM 0 HE ARG A 63 68.429 -15.403 -7.635 1.00 0.00 H new ATOM 0 HH11 ARG A 63 67.182 -18.301 -9.194 1.00 0.00 H new ATOM 0 HH12 ARG A 63 65.687 -18.291 -8.253 1.00 0.00 H new ATOM 0 HH21 ARG A 63 66.517 -15.422 -6.449 1.00 0.00 H new ATOM 0 HH22 ARG A 63 65.316 -16.688 -6.725 1.00 0.00 H new ATOM 1021 N LEU A 64 71.840 -12.423 -9.623 1.00 0.00 N ATOM 1022 CA LEU A 64 71.253 -11.103 -9.416 1.00 0.00 C ATOM 1023 C LEU A 64 69.937 -10.970 -10.191 1.00 0.00 C ATOM 1024 O LEU A 64 69.830 -11.417 -11.337 1.00 0.00 O ATOM 1025 CB LEU A 64 72.247 -10.000 -9.822 1.00 0.00 C ATOM 1026 CG LEU A 64 72.191 -9.558 -11.287 1.00 0.00 C ATOM 1027 CD1 LEU A 64 72.601 -8.101 -11.418 1.00 0.00 C ATOM 1028 CD2 LEU A 64 73.083 -10.441 -12.146 1.00 0.00 C ATOM 0 H LEU A 64 72.396 -12.509 -10.474 1.00 0.00 H new ATOM 0 HA LEU A 64 71.032 -10.985 -8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 64 72.070 -9.128 -9.192 1.00 0.00 H new ATOM 0 HB3 LEU A 64 73.257 -10.350 -9.606 1.00 0.00 H new ATOM 0 HG LEU A 64 71.164 -9.661 -11.638 1.00 0.00 H new ATOM 0 HD11 LEU A 64 72.556 -7.803 -12.466 1.00 0.00 H new ATOM 0 HD12 LEU A 64 71.923 -7.478 -10.834 1.00 0.00 H new ATOM 0 HD13 LEU A 64 73.619 -7.975 -11.049 1.00 0.00 H new ATOM 0 HD21 LEU A 64 73.030 -10.112 -13.184 1.00 0.00 H new ATOM 0 HD22 LEU A 64 74.112 -10.370 -11.795 1.00 0.00 H new ATOM 0 HD23 LEU A 64 72.747 -11.475 -12.076 1.00 0.00 H new ATOM 1040 N LEU A 65 68.932 -10.372 -9.559 1.00 0.00 N ATOM 1041 CA LEU A 65 67.627 -10.195 -10.200 1.00 0.00 C ATOM 1042 C LEU A 65 67.002 -8.833 -9.877 1.00 0.00 C ATOM 1043 O LEU A 65 67.320 -8.208 -8.862 1.00 0.00 O ATOM 1044 CB LEU A 65 66.674 -11.377 -9.867 1.00 0.00 C ATOM 1045 CG LEU A 65 65.916 -11.382 -8.513 1.00 0.00 C ATOM 1046 CD1 LEU A 65 66.793 -10.952 -7.349 1.00 0.00 C ATOM 1047 CD2 LEU A 65 64.656 -10.528 -8.582 1.00 0.00 C ATOM 0 H LEU A 65 68.992 -10.003 -8.610 1.00 0.00 H new ATOM 0 HA LEU A 65 67.789 -10.204 -11.278 1.00 0.00 H new ATOM 0 HB2 LEU A 65 65.928 -11.430 -10.660 1.00 0.00 H new ATOM 0 HB3 LEU A 65 67.260 -12.295 -9.918 1.00 0.00 H new ATOM 0 HG LEU A 65 65.625 -12.416 -8.328 1.00 0.00 H new ATOM 0 HD11 LEU A 65 66.211 -10.974 -6.428 1.00 0.00 H new ATOM 0 HD12 LEU A 65 67.639 -11.633 -7.260 1.00 0.00 H new ATOM 0 HD13 LEU A 65 67.158 -9.940 -7.523 1.00 0.00 H new ATOM 0 HD21 LEU A 65 64.147 -10.552 -7.618 1.00 0.00 H new ATOM 0 HD22 LEU A 65 64.926 -9.500 -8.825 1.00 0.00 H new ATOM 0 HD23 LEU A 65 63.992 -10.920 -9.352 1.00 0.00 H new ATOM 1059 N PHE A 66 66.123 -8.371 -10.765 1.00 0.00 N ATOM 1060 CA PHE A 66 65.448 -7.087 -10.585 1.00 0.00 C ATOM 1061 C PHE A 66 63.976 -7.182 -10.994 1.00 0.00 C ATOM 1062 O PHE A 66 63.666 -7.492 -12.144 1.00 0.00 O ATOM 1063 CB PHE A 66 66.151 -5.999 -11.406 1.00 0.00 C ATOM 1064 CG PHE A 66 65.600 -4.617 -11.176 1.00 0.00 C ATOM 1065 CD1 PHE A 66 65.755 -3.988 -9.953 1.00 0.00 C ATOM 1066 CD2 PHE A 66 64.927 -3.951 -12.188 1.00 0.00 C ATOM 1067 CE1 PHE A 66 65.248 -2.720 -9.740 1.00 0.00 C ATOM 1068 CE2 PHE A 66 64.418 -2.683 -11.983 1.00 0.00 C ATOM 1069 CZ PHE A 66 64.579 -2.067 -10.757 1.00 0.00 C ATOM 0 H PHE A 66 65.862 -8.867 -11.617 1.00 0.00 H new ATOM 0 HA PHE A 66 65.495 -6.823 -9.528 1.00 0.00 H new ATOM 0 HB2 PHE A 66 67.214 -6.002 -11.163 1.00 0.00 H new ATOM 0 HB3 PHE A 66 66.066 -6.243 -12.465 1.00 0.00 H new ATOM 0 HD1 PHE A 66 66.278 -4.494 -9.155 1.00 0.00 H new ATOM 0 HD2 PHE A 66 64.799 -4.429 -13.148 1.00 0.00 H new ATOM 0 HE1 PHE A 66 65.375 -2.241 -8.780 1.00 0.00 H new ATOM 0 HE2 PHE A 66 63.895 -2.174 -12.780 1.00 0.00 H new ATOM 0 HZ PHE A 66 64.182 -1.076 -10.594 1.00 0.00 H new ATOM 1079 N GLU A 67 63.083 -6.929 -10.028 1.00 0.00 N ATOM 1080 CA GLU A 67 61.622 -6.967 -10.236 1.00 0.00 C ATOM 1081 C GLU A 67 61.124 -8.327 -10.767 1.00 0.00 C ATOM 1082 O GLU A 67 60.006 -8.443 -11.276 1.00 0.00 O ATOM 1083 CB GLU A 67 61.169 -5.797 -11.142 1.00 0.00 C ATOM 1084 CG GLU A 67 61.072 -6.119 -12.630 1.00 0.00 C ATOM 1085 CD GLU A 67 60.628 -4.929 -13.459 1.00 0.00 C ATOM 1086 OE1 GLU A 67 61.502 -4.166 -13.918 1.00 0.00 O ATOM 1087 OE2 GLU A 67 59.405 -4.761 -13.649 1.00 0.00 O ATOM 0 H GLU A 67 63.351 -6.690 -9.073 1.00 0.00 H new ATOM 0 HA GLU A 67 61.158 -6.843 -9.258 1.00 0.00 H new ATOM 0 HB2 GLU A 67 60.194 -5.451 -10.799 1.00 0.00 H new ATOM 0 HB3 GLU A 67 61.866 -4.969 -11.012 1.00 0.00 H new ATOM 0 HG2 GLU A 67 62.043 -6.463 -12.987 1.00 0.00 H new ATOM 0 HG3 GLU A 67 60.370 -6.940 -12.775 1.00 0.00 H new ATOM 1094 N GLY A 68 61.938 -9.368 -10.596 1.00 0.00 N ATOM 1095 CA GLY A 68 61.561 -10.697 -11.057 1.00 0.00 C ATOM 1096 C GLY A 68 62.242 -11.111 -12.354 1.00 0.00 C ATOM 1097 O GLY A 68 62.095 -12.251 -12.796 1.00 0.00 O ATOM 0 H GLY A 68 62.852 -9.315 -10.146 1.00 0.00 H new ATOM 0 HA2 GLY A 68 61.804 -11.423 -10.281 1.00 0.00 H new ATOM 0 HA3 GLY A 68 60.481 -10.730 -11.198 1.00 0.00 H new ATOM 1101 N GLN A 69 62.992 -10.199 -12.966 1.00 0.00 N ATOM 1102 CA GLN A 69 63.689 -10.504 -14.215 1.00 0.00 C ATOM 1103 C GLN A 69 65.164 -10.832 -13.961 1.00 0.00 C ATOM 1104 O GLN A 69 65.775 -10.324 -13.017 1.00 0.00 O ATOM 1105 CB GLN A 69 63.563 -9.333 -15.205 1.00 0.00 C ATOM 1106 CG GLN A 69 64.689 -8.311 -15.123 1.00 0.00 C ATOM 1107 CD GLN A 69 64.273 -6.940 -15.613 1.00 0.00 C ATOM 1108 OE1 GLN A 69 64.326 -6.649 -16.805 1.00 0.00 O ATOM 1109 NE2 GLN A 69 63.856 -6.087 -14.694 1.00 0.00 N ATOM 0 H GLN A 69 63.133 -9.249 -12.622 1.00 0.00 H new ATOM 0 HA GLN A 69 63.218 -11.384 -14.653 1.00 0.00 H new ATOM 0 HB2 GLN A 69 63.526 -9.733 -16.218 1.00 0.00 H new ATOM 0 HB3 GLN A 69 62.615 -8.825 -15.028 1.00 0.00 H new ATOM 0 HG2 GLN A 69 65.030 -8.235 -14.091 1.00 0.00 H new ATOM 0 HG3 GLN A 69 65.536 -8.662 -15.713 1.00 0.00 H new ATOM 0 HE21 GLN A 69 63.827 -6.367 -13.714 1.00 0.00 H new ATOM 0 HE22 GLN A 69 63.563 -5.148 -14.965 1.00 0.00 H new ATOM 1118 N ARG A 70 65.725 -11.695 -14.806 1.00 0.00 N ATOM 1119 CA ARG A 70 67.128 -12.083 -14.688 1.00 0.00 C ATOM 1120 C ARG A 70 68.017 -11.098 -15.450 1.00 0.00 C ATOM 1121 O ARG A 70 67.586 -10.486 -16.429 1.00 0.00 O ATOM 1122 CB ARG A 70 67.339 -13.515 -15.198 1.00 0.00 C ATOM 1123 CG ARG A 70 67.411 -13.637 -16.714 1.00 0.00 C ATOM 1124 CD ARG A 70 68.592 -14.492 -17.150 1.00 0.00 C ATOM 1125 NE ARG A 70 69.864 -13.965 -16.657 1.00 0.00 N ATOM 1126 CZ ARG A 70 70.974 -14.681 -16.561 1.00 0.00 C ATOM 1127 NH1 ARG A 70 70.988 -15.939 -16.930 1.00 0.00 N ATOM 1128 NH2 ARG A 70 72.072 -14.136 -16.099 1.00 0.00 N ATOM 0 H ARG A 70 65.229 -12.138 -15.579 1.00 0.00 H new ATOM 0 HA ARG A 70 67.408 -12.056 -13.635 1.00 0.00 H new ATOM 0 HB2 ARG A 70 68.261 -13.908 -14.770 1.00 0.00 H new ATOM 0 HB3 ARG A 70 66.525 -14.142 -14.833 1.00 0.00 H new ATOM 0 HG2 ARG A 70 66.486 -14.075 -17.089 1.00 0.00 H new ATOM 0 HG3 ARG A 70 67.496 -12.644 -17.156 1.00 0.00 H new ATOM 0 HD2 ARG A 70 68.456 -15.510 -16.785 1.00 0.00 H new ATOM 0 HD3 ARG A 70 68.619 -14.544 -18.238 1.00 0.00 H new ATOM 0 HE ARG A 70 69.898 -12.987 -16.370 1.00 0.00 H new ATOM 0 HH11 ARG A 70 70.140 -16.373 -17.294 1.00 0.00 H new ATOM 0 HH12 ARG A 70 71.847 -16.484 -16.853 1.00 0.00 H new ATOM 0 HH21 ARG A 70 72.074 -13.157 -15.812 1.00 0.00 H new ATOM 0 HH22 ARG A 70 72.925 -14.690 -16.026 1.00 0.00 H new ATOM 1142 N ILE A 71 69.258 -10.941 -15.001 1.00 0.00 N ATOM 1143 CA ILE A 71 70.179 -10.009 -15.649 1.00 0.00 C ATOM 1144 C ILE A 71 71.426 -10.718 -16.185 1.00 0.00 C ATOM 1145 O ILE A 71 72.122 -11.425 -15.454 1.00 0.00 O ATOM 1146 CB ILE A 71 70.603 -8.875 -14.684 1.00 0.00 C ATOM 1147 CG1 ILE A 71 69.410 -7.979 -14.339 1.00 0.00 C ATOM 1148 CG2 ILE A 71 71.719 -8.038 -15.290 1.00 0.00 C ATOM 1149 CD1 ILE A 71 68.895 -8.171 -12.931 1.00 0.00 C ATOM 0 H ILE A 71 69.648 -11.440 -14.201 1.00 0.00 H new ATOM 0 HA ILE A 71 69.640 -9.576 -16.492 1.00 0.00 H new ATOM 0 HB ILE A 71 70.970 -9.338 -13.768 1.00 0.00 H new ATOM 0 HG12 ILE A 71 69.699 -6.936 -14.472 1.00 0.00 H new ATOM 0 HG13 ILE A 71 68.602 -8.178 -15.043 1.00 0.00 H new ATOM 0 HG21 ILE A 71 72.000 -7.248 -14.594 1.00 0.00 H new ATOM 0 HG22 ILE A 71 72.583 -8.672 -15.487 1.00 0.00 H new ATOM 0 HG23 ILE A 71 71.374 -7.593 -16.224 1.00 0.00 H new ATOM 0 HD11 ILE A 71 68.051 -7.504 -12.758 1.00 0.00 H new ATOM 0 HD12 ILE A 71 68.574 -9.204 -12.799 1.00 0.00 H new ATOM 0 HD13 ILE A 71 69.689 -7.944 -12.219 1.00 0.00 H new ATOM 1161 N ALA A 72 71.680 -10.544 -17.478 1.00 0.00 N ATOM 1162 CA ALA A 72 72.851 -11.131 -18.126 1.00 0.00 C ATOM 1163 C ALA A 72 74.027 -10.145 -18.138 1.00 0.00 C ATOM 1164 O ALA A 72 73.867 -8.969 -17.813 1.00 0.00 O ATOM 1165 CB ALA A 72 72.508 -11.566 -19.542 1.00 0.00 C ATOM 0 H ALA A 72 71.087 -9.998 -18.103 1.00 0.00 H new ATOM 0 HA ALA A 72 73.152 -12.008 -17.553 1.00 0.00 H new ATOM 0 HB1 ALA A 72 73.390 -12.001 -20.013 1.00 0.00 H new ATOM 0 HB2 ALA A 72 71.710 -12.307 -19.512 1.00 0.00 H new ATOM 0 HB3 ALA A 72 72.179 -10.702 -20.118 1.00 0.00 H new ATOM 1171 N ASP A 73 75.201 -10.626 -18.538 1.00 0.00 N ATOM 1172 CA ASP A 73 76.409 -9.805 -18.587 1.00 0.00 C ATOM 1173 C ASP A 73 76.351 -8.767 -19.714 1.00 0.00 C ATOM 1174 O ASP A 73 77.003 -7.724 -19.645 1.00 0.00 O ATOM 1175 CB ASP A 73 77.639 -10.697 -18.766 1.00 0.00 C ATOM 1176 CG ASP A 73 77.677 -11.842 -17.772 1.00 0.00 C ATOM 1177 OD1 ASP A 73 77.127 -12.917 -18.088 1.00 0.00 O ATOM 1178 OD2 ASP A 73 78.248 -11.660 -16.676 1.00 0.00 O ATOM 0 H ASP A 73 75.342 -11.591 -18.836 1.00 0.00 H new ATOM 0 HA ASP A 73 76.479 -9.265 -17.643 1.00 0.00 H new ATOM 0 HB2 ASP A 73 77.647 -11.099 -19.779 1.00 0.00 H new ATOM 0 HB3 ASP A 73 78.540 -10.094 -18.655 1.00 0.00 H new ATOM 1183 N ASN A 74 75.556 -9.051 -20.745 1.00 0.00 N ATOM 1184 CA ASN A 74 75.414 -8.147 -21.891 1.00 0.00 C ATOM 1185 C ASN A 74 74.262 -7.153 -21.686 1.00 0.00 C ATOM 1186 O ASN A 74 73.664 -6.671 -22.648 1.00 0.00 O ATOM 1187 CB ASN A 74 75.188 -8.947 -23.180 1.00 0.00 C ATOM 1188 CG ASN A 74 75.753 -8.252 -24.407 1.00 0.00 C ATOM 1189 OD1 ASN A 74 76.554 -7.328 -24.301 1.00 0.00 O ATOM 1190 ND2 ASN A 74 75.339 -8.697 -25.582 1.00 0.00 N ATOM 0 H ASN A 74 74.998 -9.902 -20.812 1.00 0.00 H new ATOM 0 HA ASN A 74 76.341 -7.579 -21.977 1.00 0.00 H new ATOM 0 HB2 ASN A 74 75.649 -9.929 -23.079 1.00 0.00 H new ATOM 0 HB3 ASN A 74 74.119 -9.110 -23.319 1.00 0.00 H new ATOM 0 HD21 ASN A 74 75.687 -8.270 -26.440 1.00 0.00 H new ATOM 0 HD22 ASN A 74 74.672 -9.467 -25.629 1.00 0.00 H new ATOM 1197 N HIS A 75 73.951 -6.856 -20.429 1.00 0.00 N ATOM 1198 CA HIS A 75 72.875 -5.922 -20.106 1.00 0.00 C ATOM 1199 C HIS A 75 73.427 -4.623 -19.525 1.00 0.00 C ATOM 1200 O HIS A 75 74.580 -4.561 -19.098 1.00 0.00 O ATOM 1201 CB HIS A 75 71.906 -6.550 -19.104 1.00 0.00 C ATOM 1202 CG HIS A 75 70.770 -7.296 -19.741 1.00 0.00 C ATOM 1203 ND1 HIS A 75 70.179 -8.401 -19.165 1.00 0.00 N ATOM 1204 CD2 HIS A 75 70.106 -7.084 -20.902 1.00 0.00 C ATOM 1205 CE1 HIS A 75 69.204 -8.835 -19.942 1.00 0.00 C ATOM 1206 NE2 HIS A 75 69.139 -8.052 -21.004 1.00 0.00 N ATOM 0 H HIS A 75 74.428 -7.247 -19.617 1.00 0.00 H new ATOM 0 HA HIS A 75 72.347 -5.696 -21.032 1.00 0.00 H new ATOM 0 HB2 HIS A 75 72.459 -7.232 -18.458 1.00 0.00 H new ATOM 0 HB3 HIS A 75 71.500 -5.765 -18.466 1.00 0.00 H new ATOM 0 HD2 HIS A 75 70.302 -6.298 -21.616 1.00 0.00 H new ATOM 0 HE1 HIS A 75 68.568 -9.685 -19.743 1.00 0.00 H new ATOM 0 HE2 HIS A 75 68.478 -8.151 -21.774 1.00 0.00 H new ATOM 1214 N THR A 76 72.592 -3.591 -19.517 1.00 0.00 N ATOM 1215 CA THR A 76 72.970 -2.290 -18.975 1.00 0.00 C ATOM 1216 C THR A 76 71.833 -1.714 -18.128 1.00 0.00 C ATOM 1217 O THR A 76 70.659 -1.879 -18.467 1.00 0.00 O ATOM 1218 CB THR A 76 73.321 -1.279 -20.090 1.00 0.00 C ATOM 1219 OG1 THR A 76 72.355 -1.352 -21.145 1.00 0.00 O ATOM 1220 CG2 THR A 76 74.711 -1.545 -20.653 1.00 0.00 C ATOM 0 H THR A 76 71.641 -3.630 -19.883 1.00 0.00 H new ATOM 0 HA THR A 76 73.855 -2.449 -18.359 1.00 0.00 H new ATOM 0 HB THR A 76 73.308 -0.280 -19.653 1.00 0.00 H new ATOM 0 HG1 THR A 76 72.586 -0.706 -21.845 1.00 0.00 H new ATOM 0 HG21 THR A 76 74.932 -0.819 -21.436 1.00 0.00 H new ATOM 0 HG22 THR A 76 75.449 -1.456 -19.856 1.00 0.00 H new ATOM 0 HG23 THR A 76 74.748 -2.551 -21.071 1.00 0.00 H new ATOM 1228 N PRO A 77 72.165 -1.039 -17.008 1.00 0.00 N ATOM 1229 CA PRO A 77 71.163 -0.431 -16.110 1.00 0.00 C ATOM 1230 C PRO A 77 70.181 0.493 -16.838 1.00 0.00 C ATOM 1231 O PRO A 77 68.989 0.512 -16.529 1.00 0.00 O ATOM 1232 CB PRO A 77 72.020 0.373 -15.131 1.00 0.00 C ATOM 1233 CG PRO A 77 73.319 -0.349 -15.103 1.00 0.00 C ATOM 1234 CD PRO A 77 73.539 -0.839 -16.506 1.00 0.00 C ATOM 0 HA PRO A 77 70.532 -1.187 -15.643 1.00 0.00 H new ATOM 0 HB2 PRO A 77 72.144 1.403 -15.464 1.00 0.00 H new ATOM 0 HB3 PRO A 77 71.564 0.411 -14.142 1.00 0.00 H new ATOM 0 HG2 PRO A 77 74.127 0.310 -14.787 1.00 0.00 H new ATOM 0 HG3 PRO A 77 73.291 -1.179 -14.398 1.00 0.00 H new ATOM 0 HD2 PRO A 77 74.086 -0.112 -17.106 1.00 0.00 H new ATOM 0 HD3 PRO A 77 74.114 -1.765 -16.525 1.00 0.00 H new ATOM 1242 N LYS A 78 70.686 1.245 -17.816 1.00 0.00 N ATOM 1243 CA LYS A 78 69.854 2.170 -18.591 1.00 0.00 C ATOM 1244 C LYS A 78 68.857 1.429 -19.494 1.00 0.00 C ATOM 1245 O LYS A 78 67.823 1.980 -19.869 1.00 0.00 O ATOM 1246 CB LYS A 78 70.734 3.113 -19.426 1.00 0.00 C ATOM 1247 CG LYS A 78 71.485 2.431 -20.562 1.00 0.00 C ATOM 1248 CD LYS A 78 71.847 3.419 -21.660 1.00 0.00 C ATOM 1249 CE LYS A 78 72.531 2.728 -22.828 1.00 0.00 C ATOM 1250 NZ LYS A 78 72.400 3.510 -24.089 1.00 0.00 N ATOM 0 H LYS A 78 71.668 1.233 -18.092 1.00 0.00 H new ATOM 0 HA LYS A 78 69.275 2.759 -17.880 1.00 0.00 H new ATOM 0 HB2 LYS A 78 70.107 3.901 -19.843 1.00 0.00 H new ATOM 0 HB3 LYS A 78 71.456 3.595 -18.767 1.00 0.00 H new ATOM 0 HG2 LYS A 78 72.392 1.968 -20.174 1.00 0.00 H new ATOM 0 HG3 LYS A 78 70.871 1.632 -20.978 1.00 0.00 H new ATOM 0 HD2 LYS A 78 70.945 3.921 -22.011 1.00 0.00 H new ATOM 0 HD3 LYS A 78 72.504 4.189 -21.256 1.00 0.00 H new ATOM 0 HE2 LYS A 78 73.587 2.585 -22.598 1.00 0.00 H new ATOM 0 HE3 LYS A 78 72.098 1.738 -22.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 72.879 3.005 -24.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 71.393 3.625 -24.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 72.836 4.446 -23.964 1.00 0.00 H new ATOM 1264 N GLU A 79 69.171 0.179 -19.837 1.00 0.00 N ATOM 1265 CA GLU A 79 68.294 -0.626 -20.687 1.00 0.00 C ATOM 1266 C GLU A 79 67.245 -1.362 -19.851 1.00 0.00 C ATOM 1267 O GLU A 79 66.087 -1.480 -20.251 1.00 0.00 O ATOM 1268 CB GLU A 79 69.114 -1.634 -21.499 1.00 0.00 C ATOM 1269 CG GLU A 79 68.429 -2.090 -22.777 1.00 0.00 C ATOM 1270 CD GLU A 79 68.824 -3.496 -23.184 1.00 0.00 C ATOM 1271 OE1 GLU A 79 68.836 -4.388 -22.307 1.00 0.00 O ATOM 1272 OE2 GLU A 79 69.119 -3.709 -24.380 1.00 0.00 O ATOM 0 H GLU A 79 70.023 -0.296 -19.540 1.00 0.00 H new ATOM 0 HA GLU A 79 67.779 0.048 -21.372 1.00 0.00 H new ATOM 0 HB2 GLU A 79 70.075 -1.187 -21.752 1.00 0.00 H new ATOM 0 HB3 GLU A 79 69.321 -2.505 -20.877 1.00 0.00 H new ATOM 0 HG2 GLU A 79 67.348 -2.046 -22.641 1.00 0.00 H new ATOM 0 HG3 GLU A 79 68.677 -1.400 -23.583 1.00 0.00 H new ATOM 1279 N LEU A 80 67.663 -1.861 -18.688 1.00 0.00 N ATOM 1280 CA LEU A 80 66.761 -2.584 -17.787 1.00 0.00 C ATOM 1281 C LEU A 80 65.775 -1.648 -17.069 1.00 0.00 C ATOM 1282 O LEU A 80 64.777 -2.103 -16.511 1.00 0.00 O ATOM 1283 CB LEU A 80 67.569 -3.375 -16.756 1.00 0.00 C ATOM 1284 CG LEU A 80 68.432 -4.498 -17.334 1.00 0.00 C ATOM 1285 CD1 LEU A 80 69.357 -5.055 -16.267 1.00 0.00 C ATOM 1286 CD2 LEU A 80 67.559 -5.602 -17.910 1.00 0.00 C ATOM 0 H LEU A 80 68.620 -1.779 -18.346 1.00 0.00 H new ATOM 0 HA LEU A 80 66.175 -3.267 -18.401 1.00 0.00 H new ATOM 0 HB2 LEU A 80 68.214 -2.683 -16.214 1.00 0.00 H new ATOM 0 HB3 LEU A 80 66.880 -3.804 -16.029 1.00 0.00 H new ATOM 0 HG LEU A 80 69.039 -4.086 -18.140 1.00 0.00 H new ATOM 0 HD11 LEU A 80 69.965 -5.853 -16.693 1.00 0.00 H new ATOM 0 HD12 LEU A 80 70.007 -4.261 -15.898 1.00 0.00 H new ATOM 0 HD13 LEU A 80 68.764 -5.451 -15.442 1.00 0.00 H new ATOM 0 HD21 LEU A 80 68.191 -6.391 -18.316 1.00 0.00 H new ATOM 0 HD22 LEU A 80 66.926 -6.013 -17.124 1.00 0.00 H new ATOM 0 HD23 LEU A 80 66.933 -5.194 -18.704 1.00 0.00 H new ATOM 1298 N GLY A 81 66.059 -0.345 -17.079 1.00 0.00 N ATOM 1299 CA GLY A 81 65.175 0.612 -16.436 1.00 0.00 C ATOM 1300 C GLY A 81 65.558 0.928 -14.998 1.00 0.00 C ATOM 1301 O GLY A 81 64.690 1.229 -14.177 1.00 0.00 O ATOM 0 H GLY A 81 66.884 0.062 -17.520 1.00 0.00 H new ATOM 0 HA2 GLY A 81 65.173 1.536 -17.014 1.00 0.00 H new ATOM 0 HA3 GLY A 81 64.157 0.222 -16.454 1.00 0.00 H new ATOM 1305 N MET A 82 66.849 0.875 -14.686 1.00 0.00 N ATOM 1306 CA MET A 82 67.305 1.182 -13.330 1.00 0.00 C ATOM 1307 C MET A 82 67.822 2.620 -13.262 1.00 0.00 C ATOM 1308 O MET A 82 68.847 2.954 -13.859 1.00 0.00 O ATOM 1309 CB MET A 82 68.405 0.207 -12.906 1.00 0.00 C ATOM 1310 CG MET A 82 67.878 -1.093 -12.319 1.00 0.00 C ATOM 1311 SD MET A 82 68.340 -2.536 -13.298 1.00 0.00 S ATOM 1312 CE MET A 82 70.067 -2.705 -12.863 1.00 0.00 C ATOM 0 H MET A 82 67.590 0.626 -15.341 1.00 0.00 H new ATOM 0 HA MET A 82 66.463 1.077 -12.646 1.00 0.00 H new ATOM 0 HB2 MET A 82 69.028 -0.022 -13.770 1.00 0.00 H new ATOM 0 HB3 MET A 82 69.046 0.694 -12.171 1.00 0.00 H new ATOM 0 HG2 MET A 82 68.259 -1.210 -11.305 1.00 0.00 H new ATOM 0 HG3 MET A 82 66.792 -1.040 -12.247 1.00 0.00 H new ATOM 0 HE1 MET A 82 70.493 -3.558 -13.391 1.00 0.00 H new ATOM 0 HE2 MET A 82 70.603 -1.799 -13.144 1.00 0.00 H new ATOM 0 HE3 MET A 82 70.158 -2.862 -11.788 1.00 0.00 H new ATOM 1322 N GLU A 83 67.109 3.463 -12.523 1.00 0.00 N ATOM 1323 CA GLU A 83 67.484 4.870 -12.394 1.00 0.00 C ATOM 1324 C GLU A 83 67.366 5.367 -10.954 1.00 0.00 C ATOM 1325 O GLU A 83 66.584 4.829 -10.168 1.00 0.00 O ATOM 1326 CB GLU A 83 66.624 5.737 -13.315 1.00 0.00 C ATOM 1327 CG GLU A 83 67.371 6.933 -13.886 1.00 0.00 C ATOM 1328 CD GLU A 83 66.445 7.978 -14.479 1.00 0.00 C ATOM 1329 OE1 GLU A 83 65.605 7.615 -15.330 1.00 0.00 O ATOM 1330 OE2 GLU A 83 66.564 9.162 -14.097 1.00 0.00 O ATOM 0 H GLU A 83 66.271 3.200 -12.005 1.00 0.00 H new ATOM 0 HA GLU A 83 68.530 4.952 -12.688 1.00 0.00 H new ATOM 0 HB2 GLU A 83 66.252 5.124 -14.136 1.00 0.00 H new ATOM 0 HB3 GLU A 83 65.754 6.091 -12.762 1.00 0.00 H new ATOM 0 HG2 GLU A 83 67.970 7.390 -13.099 1.00 0.00 H new ATOM 0 HG3 GLU A 83 68.063 6.590 -14.655 1.00 0.00 H new ATOM 1337 N GLU A 84 68.142 6.411 -10.644 1.00 0.00 N ATOM 1338 CA GLU A 84 68.168 7.068 -9.320 1.00 0.00 C ATOM 1339 C GLU A 84 68.638 6.148 -8.186 1.00 0.00 C ATOM 1340 O GLU A 84 69.585 6.475 -7.474 1.00 0.00 O ATOM 1341 CB GLU A 84 66.790 7.647 -8.980 1.00 0.00 C ATOM 1342 CG GLU A 84 66.405 8.848 -9.831 1.00 0.00 C ATOM 1343 CD GLU A 84 65.013 8.723 -10.419 1.00 0.00 C ATOM 1344 OE1 GLU A 84 64.048 9.170 -9.764 1.00 0.00 O ATOM 1345 OE2 GLU A 84 64.886 8.173 -11.534 1.00 0.00 O ATOM 0 H GLU A 84 68.783 6.835 -11.314 1.00 0.00 H new ATOM 0 HA GLU A 84 68.902 7.870 -9.399 1.00 0.00 H new ATOM 0 HB2 GLU A 84 66.038 6.868 -9.105 1.00 0.00 H new ATOM 0 HB3 GLU A 84 66.777 7.938 -7.930 1.00 0.00 H new ATOM 0 HG2 GLU A 84 66.459 9.751 -9.224 1.00 0.00 H new ATOM 0 HG3 GLU A 84 67.128 8.963 -10.639 1.00 0.00 H new ATOM 1352 N GLU A 85 67.983 5.010 -8.020 1.00 0.00 N ATOM 1353 CA GLU A 85 68.364 4.066 -6.981 1.00 0.00 C ATOM 1354 C GLU A 85 69.364 3.057 -7.528 1.00 0.00 C ATOM 1355 O GLU A 85 70.321 2.695 -6.843 1.00 0.00 O ATOM 1356 CB GLU A 85 67.131 3.341 -6.424 1.00 0.00 C ATOM 1357 CG GLU A 85 66.996 3.445 -4.913 1.00 0.00 C ATOM 1358 CD GLU A 85 65.567 3.258 -4.440 1.00 0.00 C ATOM 1359 OE1 GLU A 85 64.808 4.250 -4.436 1.00 0.00 O ATOM 1360 OE2 GLU A 85 65.207 2.121 -4.074 1.00 0.00 O ATOM 0 H GLU A 85 67.188 4.718 -8.589 1.00 0.00 H new ATOM 0 HA GLU A 85 68.831 4.622 -6.168 1.00 0.00 H new ATOM 0 HB2 GLU A 85 66.236 3.753 -6.890 1.00 0.00 H new ATOM 0 HB3 GLU A 85 67.181 2.289 -6.705 1.00 0.00 H new ATOM 0 HG2 GLU A 85 67.631 2.694 -4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 85 67.358 4.420 -4.586 1.00 0.00 H new ATOM 1367 N ASP A 86 69.146 2.633 -8.785 1.00 0.00 N ATOM 1368 CA ASP A 86 70.028 1.664 -9.462 1.00 0.00 C ATOM 1369 C ASP A 86 70.328 0.411 -8.604 1.00 0.00 C ATOM 1370 O ASP A 86 71.304 -0.297 -8.849 1.00 0.00 O ATOM 1371 CB ASP A 86 71.326 2.359 -9.882 1.00 0.00 C ATOM 1372 CG ASP A 86 71.994 1.695 -11.074 1.00 0.00 C ATOM 1373 OD1 ASP A 86 71.322 0.906 -11.770 1.00 0.00 O ATOM 1374 OD2 ASP A 86 73.188 1.972 -11.314 1.00 0.00 O ATOM 0 H ASP A 86 68.362 2.948 -9.356 1.00 0.00 H new ATOM 0 HA ASP A 86 69.499 1.304 -10.344 1.00 0.00 H new ATOM 0 HB2 ASP A 86 71.113 3.400 -10.125 1.00 0.00 H new ATOM 0 HB3 ASP A 86 72.018 2.364 -9.040 1.00 0.00 H new ATOM 1379 N VAL A 87 69.487 0.151 -7.601 1.00 0.00 N ATOM 1380 CA VAL A 87 69.691 -0.974 -6.684 1.00 0.00 C ATOM 1381 C VAL A 87 69.223 -2.320 -7.263 1.00 0.00 C ATOM 1382 O VAL A 87 68.166 -2.419 -7.886 1.00 0.00 O ATOM 1383 CB VAL A 87 68.961 -0.712 -5.339 1.00 0.00 C ATOM 1384 CG1 VAL A 87 67.483 -0.419 -5.564 1.00 0.00 C ATOM 1385 CG2 VAL A 87 69.132 -1.885 -4.382 1.00 0.00 C ATOM 0 H VAL A 87 68.655 0.706 -7.402 1.00 0.00 H new ATOM 0 HA VAL A 87 70.767 -1.046 -6.524 1.00 0.00 H new ATOM 0 HB VAL A 87 69.418 0.167 -4.885 1.00 0.00 H new ATOM 0 HG11 VAL A 87 66.998 -0.240 -4.605 1.00 0.00 H new ATOM 0 HG12 VAL A 87 67.379 0.464 -6.194 1.00 0.00 H new ATOM 0 HG13 VAL A 87 67.014 -1.272 -6.054 1.00 0.00 H new ATOM 0 HG21 VAL A 87 68.610 -1.672 -3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 87 68.717 -2.786 -4.833 1.00 0.00 H new ATOM 0 HG23 VAL A 87 70.192 -2.037 -4.178 1.00 0.00 H new ATOM 1395 N ILE A 88 70.049 -3.351 -7.055 1.00 0.00 N ATOM 1396 CA ILE A 88 69.743 -4.712 -7.516 1.00 0.00 C ATOM 1397 C ILE A 88 69.853 -5.705 -6.355 1.00 0.00 C ATOM 1398 O ILE A 88 70.604 -5.479 -5.403 1.00 0.00 O ATOM 1399 CB ILE A 88 70.677 -5.188 -8.661 1.00 0.00 C ATOM 1400 CG1 ILE A 88 71.726 -4.124 -9.011 1.00 0.00 C ATOM 1401 CG2 ILE A 88 69.858 -5.556 -9.891 1.00 0.00 C ATOM 1402 CD1 ILE A 88 72.795 -4.611 -9.966 1.00 0.00 C ATOM 0 H ILE A 88 70.941 -3.269 -6.567 1.00 0.00 H new ATOM 0 HA ILE A 88 68.724 -4.679 -7.902 1.00 0.00 H new ATOM 0 HB ILE A 88 71.209 -6.073 -8.313 1.00 0.00 H new ATOM 0 HG12 ILE A 88 71.224 -3.263 -9.451 1.00 0.00 H new ATOM 0 HG13 ILE A 88 72.202 -3.780 -8.093 1.00 0.00 H new ATOM 0 HG21 ILE A 88 70.525 -5.888 -10.686 1.00 0.00 H new ATOM 0 HG22 ILE A 88 69.165 -6.359 -9.640 1.00 0.00 H new ATOM 0 HG23 ILE A 88 69.297 -4.685 -10.228 1.00 0.00 H new ATOM 0 HD11 ILE A 88 73.500 -3.804 -10.166 1.00 0.00 H new ATOM 0 HD12 ILE A 88 73.325 -5.453 -9.520 1.00 0.00 H new ATOM 0 HD13 ILE A 88 72.331 -4.927 -10.900 1.00 0.00 H new ATOM 1414 N GLU A 89 69.107 -6.805 -6.435 1.00 0.00 N ATOM 1415 CA GLU A 89 69.129 -7.820 -5.374 1.00 0.00 C ATOM 1416 C GLU A 89 69.828 -9.100 -5.839 1.00 0.00 C ATOM 1417 O GLU A 89 69.721 -9.492 -7.001 1.00 0.00 O ATOM 1418 CB GLU A 89 67.708 -8.150 -4.887 1.00 0.00 C ATOM 1419 CG GLU A 89 67.038 -7.017 -4.119 1.00 0.00 C ATOM 1420 CD GLU A 89 65.982 -6.298 -4.938 1.00 0.00 C ATOM 1421 OE1 GLU A 89 66.332 -5.324 -5.635 1.00 0.00 O ATOM 1422 OE2 GLU A 89 64.804 -6.710 -4.881 1.00 0.00 O ATOM 0 H GLU A 89 68.484 -7.019 -7.214 1.00 0.00 H new ATOM 0 HA GLU A 89 69.694 -7.399 -4.543 1.00 0.00 H new ATOM 0 HB2 GLU A 89 67.090 -8.407 -5.748 1.00 0.00 H new ATOM 0 HB3 GLU A 89 67.749 -9.033 -4.249 1.00 0.00 H new ATOM 0 HG2 GLU A 89 66.580 -7.418 -3.215 1.00 0.00 H new ATOM 0 HG3 GLU A 89 67.796 -6.301 -3.802 1.00 0.00 H new ATOM 1429 N VAL A 90 70.548 -9.742 -4.922 1.00 0.00 N ATOM 1430 CA VAL A 90 71.272 -10.979 -5.234 1.00 0.00 C ATOM 1431 C VAL A 90 70.843 -12.129 -4.313 1.00 0.00 C ATOM 1432 O VAL A 90 70.692 -11.945 -3.105 1.00 0.00 O ATOM 1433 CB VAL A 90 72.800 -10.780 -5.111 1.00 0.00 C ATOM 1434 CG1 VAL A 90 73.547 -11.965 -5.701 1.00 0.00 C ATOM 1435 CG2 VAL A 90 73.236 -9.487 -5.784 1.00 0.00 C ATOM 0 H VAL A 90 70.648 -9.429 -3.956 1.00 0.00 H new ATOM 0 HA VAL A 90 71.024 -11.236 -6.264 1.00 0.00 H new ATOM 0 HB VAL A 90 73.045 -10.712 -4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 90 74.621 -11.803 -5.604 1.00 0.00 H new ATOM 0 HG12 VAL A 90 73.267 -12.874 -5.168 1.00 0.00 H new ATOM 0 HG13 VAL A 90 73.290 -12.069 -6.755 1.00 0.00 H new ATOM 0 HG21 VAL A 90 74.315 -9.370 -5.683 1.00 0.00 H new ATOM 0 HG22 VAL A 90 72.972 -9.520 -6.841 1.00 0.00 H new ATOM 0 HG23 VAL A 90 72.734 -8.643 -5.310 1.00 0.00 H new ATOM 1445 N TYR A 91 70.657 -13.317 -4.890 1.00 0.00 N ATOM 1446 CA TYR A 91 70.246 -14.496 -4.114 1.00 0.00 C ATOM 1447 C TYR A 91 71.164 -15.693 -4.380 1.00 0.00 C ATOM 1448 O TYR A 91 71.577 -15.929 -5.516 1.00 0.00 O ATOM 1449 CB TYR A 91 68.798 -14.880 -4.437 1.00 0.00 C ATOM 1450 CG TYR A 91 67.768 -14.006 -3.757 1.00 0.00 C ATOM 1451 CD1 TYR A 91 66.958 -13.156 -4.498 1.00 0.00 C ATOM 1452 CD2 TYR A 91 67.605 -14.032 -2.379 1.00 0.00 C ATOM 1453 CE1 TYR A 91 66.015 -12.354 -3.883 1.00 0.00 C ATOM 1454 CE2 TYR A 91 66.665 -13.234 -1.755 1.00 0.00 C ATOM 1455 CZ TYR A 91 65.873 -12.397 -2.512 1.00 0.00 C ATOM 1456 OH TYR A 91 64.934 -11.601 -1.895 1.00 0.00 O ATOM 0 H TYR A 91 70.783 -13.492 -5.887 1.00 0.00 H new ATOM 0 HA TYR A 91 70.322 -14.230 -3.060 1.00 0.00 H new ATOM 0 HB2 TYR A 91 68.650 -14.827 -5.516 1.00 0.00 H new ATOM 0 HB3 TYR A 91 68.633 -15.916 -4.143 1.00 0.00 H new ATOM 0 HD1 TYR A 91 67.066 -13.121 -5.572 1.00 0.00 H new ATOM 0 HD2 TYR A 91 68.224 -14.687 -1.784 1.00 0.00 H new ATOM 0 HE1 TYR A 91 65.393 -11.697 -4.473 1.00 0.00 H new ATOM 0 HE2 TYR A 91 66.552 -13.266 -0.681 1.00 0.00 H new ATOM 0 HH TYR A 91 64.962 -11.752 -0.927 1.00 0.00 H new ATOM 1466 N GLN A 92 71.473 -16.447 -3.327 1.00 0.00 N ATOM 1467 CA GLN A 92 72.337 -17.622 -3.447 1.00 0.00 C ATOM 1468 C GLN A 92 71.519 -18.915 -3.380 1.00 0.00 C ATOM 1469 O GLN A 92 71.108 -19.351 -2.303 1.00 0.00 O ATOM 1470 CB GLN A 92 73.403 -17.612 -2.342 1.00 0.00 C ATOM 1471 CG GLN A 92 74.290 -18.855 -2.319 1.00 0.00 C ATOM 1472 CD GLN A 92 74.310 -19.536 -0.961 1.00 0.00 C ATOM 1473 OE1 GLN A 92 75.350 -19.639 -0.318 1.00 0.00 O ATOM 1474 NE2 GLN A 92 73.154 -20.001 -0.514 1.00 0.00 N ATOM 0 H GLN A 92 71.138 -16.266 -2.381 1.00 0.00 H new ATOM 0 HA GLN A 92 72.831 -17.582 -4.418 1.00 0.00 H new ATOM 0 HB2 GLN A 92 74.033 -16.732 -2.468 1.00 0.00 H new ATOM 0 HB3 GLN A 92 72.908 -17.514 -1.376 1.00 0.00 H new ATOM 0 HG2 GLN A 92 73.937 -19.562 -3.070 1.00 0.00 H new ATOM 0 HG3 GLN A 92 75.307 -18.576 -2.596 1.00 0.00 H new ATOM 0 HE21 GLN A 92 72.310 -19.897 -1.077 1.00 0.00 H new ATOM 0 HE22 GLN A 92 73.107 -20.464 0.394 1.00 0.00 H new ATOM 1483 N GLU A 93 71.284 -19.524 -4.537 1.00 0.00 N ATOM 1484 CA GLU A 93 70.518 -20.768 -4.604 1.00 0.00 C ATOM 1485 C GLU A 93 71.447 -21.980 -4.682 1.00 0.00 C ATOM 1486 O GLU A 93 71.273 -22.960 -3.957 1.00 0.00 O ATOM 1487 CB GLU A 93 69.577 -20.752 -5.812 1.00 0.00 C ATOM 1488 CG GLU A 93 68.547 -19.632 -5.774 1.00 0.00 C ATOM 1489 CD GLU A 93 67.129 -20.144 -5.608 1.00 0.00 C ATOM 1490 OE1 GLU A 93 66.680 -20.283 -4.450 1.00 0.00 O ATOM 1491 OE2 GLU A 93 66.467 -20.411 -6.633 1.00 0.00 O ATOM 0 H GLU A 93 71.611 -19.180 -5.440 1.00 0.00 H new ATOM 0 HA GLU A 93 69.925 -20.847 -3.693 1.00 0.00 H new ATOM 0 HB2 GLU A 93 70.170 -20.657 -6.721 1.00 0.00 H new ATOM 0 HB3 GLU A 93 69.058 -21.709 -5.869 1.00 0.00 H new ATOM 0 HG2 GLU A 93 68.783 -18.955 -4.953 1.00 0.00 H new ATOM 0 HG3 GLU A 93 68.614 -19.052 -6.694 1.00 0.00 H new ATOM 1498 N GLN A 94 72.431 -21.903 -5.571 1.00 0.00 N ATOM 1499 CA GLN A 94 73.394 -22.988 -5.755 1.00 0.00 C ATOM 1500 C GLN A 94 74.697 -22.724 -4.993 1.00 0.00 C ATOM 1501 O GLN A 94 75.018 -21.587 -4.645 1.00 0.00 O ATOM 1502 CB GLN A 94 73.697 -23.174 -7.243 1.00 0.00 C ATOM 1503 CG GLN A 94 74.027 -21.876 -7.967 1.00 0.00 C ATOM 1504 CD GLN A 94 72.898 -21.397 -8.860 1.00 0.00 C ATOM 1505 OE1 GLN A 94 71.898 -20.868 -8.384 1.00 0.00 O ATOM 1506 NE2 GLN A 94 73.052 -21.577 -10.162 1.00 0.00 N ATOM 0 H GLN A 94 72.585 -21.098 -6.179 1.00 0.00 H new ATOM 0 HA GLN A 94 72.947 -23.897 -5.354 1.00 0.00 H new ATOM 0 HB2 GLN A 94 74.535 -23.863 -7.351 1.00 0.00 H new ATOM 0 HB3 GLN A 94 72.837 -23.640 -7.724 1.00 0.00 H new ATOM 0 HG2 GLN A 94 74.256 -21.104 -7.233 1.00 0.00 H new ATOM 0 HG3 GLN A 94 74.924 -22.019 -8.569 1.00 0.00 H new ATOM 0 HE21 GLN A 94 73.898 -22.021 -10.519 1.00 0.00 H new ATOM 0 HE22 GLN A 94 72.325 -21.272 -10.809 1.00 0.00 H new ATOM 1515 N THR A 95 75.450 -23.791 -4.743 1.00 0.00 N ATOM 1516 CA THR A 95 76.723 -23.684 -4.028 1.00 0.00 C ATOM 1517 C THR A 95 77.902 -23.560 -4.992 1.00 0.00 C ATOM 1518 O THR A 95 78.940 -22.996 -4.649 1.00 0.00 O ATOM 1519 CB THR A 95 76.952 -24.903 -3.112 1.00 0.00 C ATOM 1520 OG1 THR A 95 77.058 -26.095 -3.899 1.00 0.00 O ATOM 1521 CG2 THR A 95 75.809 -25.050 -2.116 1.00 0.00 C ATOM 0 H THR A 95 75.203 -24.740 -5.024 1.00 0.00 H new ATOM 0 HA THR A 95 76.665 -22.780 -3.421 1.00 0.00 H new ATOM 0 HB THR A 95 77.880 -24.748 -2.561 1.00 0.00 H new ATOM 0 HG1 THR A 95 77.205 -26.864 -3.310 1.00 0.00 H new ATOM 0 HG21 THR A 95 75.990 -25.916 -1.479 1.00 0.00 H new ATOM 0 HG22 THR A 95 75.746 -24.153 -1.500 1.00 0.00 H new ATOM 0 HG23 THR A 95 74.872 -25.186 -2.655 1.00 0.00 H new ATOM 1529 N GLY A 96 77.733 -24.093 -6.201 1.00 0.00 N ATOM 1530 CA GLY A 96 78.791 -24.029 -7.198 1.00 0.00 C ATOM 1531 C GLY A 96 78.334 -24.497 -8.570 1.00 0.00 C ATOM 1532 O GLY A 96 78.374 -25.688 -8.873 1.00 0.00 O ATOM 0 H GLY A 96 76.884 -24.567 -6.508 1.00 0.00 H new ATOM 0 HA2 GLY A 96 79.154 -23.004 -7.271 1.00 0.00 H new ATOM 0 HA3 GLY A 96 79.631 -24.642 -6.871 1.00 0.00 H new ATOM 1536 N GLY A 97 77.895 -23.554 -9.399 1.00 0.00 N ATOM 1537 CA GLY A 97 77.433 -23.899 -10.738 1.00 0.00 C ATOM 1538 C GLY A 97 76.646 -22.781 -11.404 1.00 0.00 C ATOM 1539 O GLY A 97 75.432 -22.656 -11.120 1.00 0.00 O ATOM 1540 OXT GLY A 97 77.240 -22.030 -12.210 1.00 0.00 O ATOM 0 H GLY A 97 77.850 -22.561 -9.172 1.00 0.00 H new ATOM 0 HA2 GLY A 97 78.293 -24.150 -11.359 1.00 0.00 H new ATOM 0 HA3 GLY A 97 76.809 -24.791 -10.682 1.00 0.00 H new TER 1544 GLY A 97