USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=35 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 Set 1.1: A 56 THR OG1 : rot 150:sc= -0.934 USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= -0.892 USER MOD Set 2.1: A 4 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 6 HIS : no HD1:sc= -0.0067 X(o=-0.0067,f=-0.38) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.0507 (180deg=-0.0042) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 7 HIS : no HD1:sc= -0.0234 X(o=-0.023,f=-0.16) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.145 X(o=-0.15,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.021) 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= -0.0209 X(o=-0.021,f=-0.11) USER MOD Single : A 21 MET CE :methyl -157:sc=-0.00211 (180deg=-0.2) USER MOD Single : A 23 SER OG : rot 180:sc= 0.00757 USER MOD Single : A 25 SER OG : rot 33:sc= 0.0658 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0418 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.239 F(o=-1.5,f=-0.24) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -47:sc= 0.734 USER MOD Single : A 44 ASN : amide:sc= -0.0605 X(o=-0.06,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= -0.0161 (180deg=-0.167) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.254 F(o=-0.81,f=-0.25) USER MOD Single : A 65 LYS NZ :NH3+ 159:sc= -0.0954 (180deg=-0.912) USER MOD Single : A 67 MET CE :methyl -117:sc= -5.36! (180deg=-9.09!) USER MOD Single : A 71 MET CE :methyl -147:sc= -0.154 (180deg=-0.522) USER MOD Single : A 72 LYS NZ :NH3+ 163:sc= -0.0527 (180deg=-0.317) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.232 F(o=-1.7,f=-0.23) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.036) USER MOD Single : A 89 TYR OH : rot -72:sc= 0.0977 USER MOD Single : A 90 THR OG1 : rot 36:sc= 0.441 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 86:sc= 0.0024 USER MOD Single : A 103 ASN :FLIP amide:sc= -0.0315 F(o=-1.1,f=-0.032) USER MOD Single : A 104 LYS NZ :NH3+ 164:sc= -0.134 (180deg=-0.603) USER MOD Single : A 105 GLN :FLIP amide:sc= -0.232 F(o=-1.4,f=-0.23) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 49.338 6.725 12.195 1.00 4.22 N ATOM 2 CA MET A 1 48.672 7.386 11.078 1.00 5.23 C ATOM 3 C MET A 1 48.198 6.366 10.048 1.00 53.54 C ATOM 4 O MET A 1 48.726 5.258 9.968 1.00 34.51 O ATOM 5 CB MET A 1 49.617 8.394 10.418 1.00 70.31 C ATOM 6 CG MET A 1 49.977 9.567 11.314 1.00 32.03 C ATOM 7 SD MET A 1 50.706 10.940 10.402 1.00 21.10 S ATOM 8 CE MET A 1 49.273 11.988 10.165 1.00 73.34 C ATOM 0 H1 MET A 1 48.793 6.883 13.067 1.00 4.22 H new ATOM 0 H2 MET A 1 49.401 5.704 12.007 1.00 4.22 H new ATOM 0 H3 MET A 1 50.295 7.116 12.309 1.00 4.22 H new ATOM 0 HA MET A 1 47.802 7.915 11.467 1.00 5.23 H new ATOM 0 HB2 MET A 1 50.531 7.881 10.120 1.00 70.31 H new ATOM 0 HB3 MET A 1 49.153 8.772 9.507 1.00 70.31 H new ATOM 0 HG2 MET A 1 49.081 9.913 11.830 1.00 32.03 H new ATOM 0 HG3 MET A 1 50.677 9.233 12.080 1.00 32.03 H new ATOM 0 HE1 MET A 1 49.563 12.882 9.614 1.00 73.34 H new ATOM 0 HE2 MET A 1 48.514 11.445 9.602 1.00 73.34 H new ATOM 0 HE3 MET A 1 48.868 12.276 11.135 1.00 73.34 H new ATOM 18 N GLY A 2 47.197 6.750 9.260 1.00 23.32 N ATOM 19 CA GLY A 2 46.667 5.856 8.245 1.00 5.15 C ATOM 20 C GLY A 2 45.220 6.151 7.912 1.00 55.13 C ATOM 21 O GLY A 2 44.330 5.945 8.737 1.00 30.14 O ATOM 0 H GLY A 2 46.744 7.663 9.306 1.00 23.32 H new ATOM 0 HA2 GLY A 2 47.269 5.941 7.340 1.00 5.15 H new ATOM 0 HA3 GLY A 2 46.754 4.826 8.591 1.00 5.15 H new ATOM 25 N SER A 3 44.981 6.638 6.698 1.00 32.14 N ATOM 26 CA SER A 3 43.630 6.968 6.259 1.00 13.21 C ATOM 27 C SER A 3 43.353 6.391 4.874 1.00 1.23 C ATOM 28 O SER A 3 43.896 6.861 3.874 1.00 2.22 O ATOM 29 CB SER A 3 43.433 8.485 6.241 1.00 44.33 C ATOM 30 OG SER A 3 42.056 8.821 6.267 1.00 23.52 O ATOM 0 H SER A 3 45.705 6.813 6.001 1.00 32.14 H new ATOM 0 HA SER A 3 42.927 6.526 6.965 1.00 13.21 H new ATOM 0 HB2 SER A 3 43.935 8.930 7.100 1.00 44.33 H new ATOM 0 HB3 SER A 3 43.896 8.904 5.348 1.00 44.33 H new ATOM 0 HG SER A 3 41.957 9.796 6.257 1.00 23.52 H new ATOM 36 N SER A 4 42.504 5.370 4.824 1.00 62.14 N ATOM 37 CA SER A 4 42.157 4.726 3.563 1.00 41.22 C ATOM 38 C SER A 4 40.780 4.073 3.647 1.00 22.21 C ATOM 39 O SER A 4 40.357 3.624 4.713 1.00 1.24 O ATOM 40 CB SER A 4 43.209 3.678 3.194 1.00 53.53 C ATOM 41 OG SER A 4 43.023 3.213 1.869 1.00 25.02 O ATOM 0 H SER A 4 42.044 4.971 5.642 1.00 62.14 H new ATOM 0 HA SER A 4 42.130 5.492 2.788 1.00 41.22 H new ATOM 0 HB2 SER A 4 44.206 4.107 3.295 1.00 53.53 H new ATOM 0 HB3 SER A 4 43.151 2.840 3.888 1.00 53.53 H new ATOM 0 HG SER A 4 43.709 2.546 1.657 1.00 25.02 H new ATOM 47 N HIS A 5 40.086 4.022 2.515 1.00 71.02 N ATOM 48 CA HIS A 5 38.757 3.423 2.460 1.00 42.53 C ATOM 49 C HIS A 5 38.849 1.904 2.348 1.00 11.32 C ATOM 50 O HIS A 5 39.298 1.372 1.332 1.00 1.11 O ATOM 51 CB HIS A 5 37.970 3.985 1.275 1.00 54.22 C ATOM 52 CG HIS A 5 37.346 5.320 1.549 1.00 32.44 C ATOM 53 ND1 HIS A 5 36.037 5.617 1.237 1.00 44.13 N ATOM 54 CD2 HIS A 5 37.860 6.438 2.113 1.00 63.23 C ATOM 55 CE1 HIS A 5 35.773 6.861 1.594 1.00 74.25 C ATOM 56 NE2 HIS A 5 36.862 7.381 2.129 1.00 50.11 N ATOM 0 H HIS A 5 40.421 4.388 1.624 1.00 71.02 H new ATOM 0 HA HIS A 5 38.236 3.671 3.385 1.00 42.53 H new ATOM 0 HB2 HIS A 5 38.636 4.074 0.417 1.00 54.22 H new ATOM 0 HB3 HIS A 5 37.188 3.277 1.000 1.00 54.22 H new ATOM 0 HD2 HIS A 5 38.867 6.565 2.482 1.00 63.23 H new ATOM 0 HE1 HIS A 5 34.827 7.367 1.469 1.00 74.25 H new ATOM 0 HE2 HIS A 5 36.948 8.329 2.495 1.00 50.11 H new ATOM 65 N HIS A 6 38.424 1.212 3.400 1.00 42.11 N ATOM 66 CA HIS A 6 38.460 -0.246 3.421 1.00 71.43 C ATOM 67 C HIS A 6 37.054 -0.822 3.563 1.00 60.20 C ATOM 68 O HIS A 6 36.315 -0.464 4.481 1.00 54.01 O ATOM 69 CB HIS A 6 39.344 -0.740 4.567 1.00 52.04 C ATOM 70 CG HIS A 6 40.784 -0.356 4.419 1.00 14.14 C ATOM 71 ND1 HIS A 6 41.446 -0.366 3.210 1.00 33.25 N ATOM 72 CD2 HIS A 6 41.688 0.053 5.339 1.00 11.41 C ATOM 73 CE1 HIS A 6 42.697 0.018 3.393 1.00 74.21 C ATOM 74 NE2 HIS A 6 42.870 0.280 4.676 1.00 63.43 N ATOM 0 H HIS A 6 38.051 1.637 4.249 1.00 42.11 H new ATOM 0 HA HIS A 6 38.880 -0.588 2.475 1.00 71.43 H new ATOM 0 HB2 HIS A 6 38.964 -0.340 5.507 1.00 52.04 H new ATOM 0 HB3 HIS A 6 39.270 -1.826 4.630 1.00 52.04 H new ATOM 0 HD2 HIS A 6 41.513 0.178 6.397 1.00 11.41 H new ATOM 0 HE1 HIS A 6 43.450 0.103 2.624 1.00 74.21 H new ATOM 0 HE2 HIS A 6 43.739 0.599 5.105 1.00 63.43 H new ATOM 83 N HIS A 7 36.690 -1.714 2.647 1.00 32.42 N ATOM 84 CA HIS A 7 35.372 -2.340 2.671 1.00 44.22 C ATOM 85 C HIS A 7 35.475 -3.810 3.066 1.00 52.45 C ATOM 86 O HIS A 7 36.478 -4.468 2.791 1.00 32.24 O ATOM 87 CB HIS A 7 34.699 -2.213 1.304 1.00 44.21 C ATOM 88 CG HIS A 7 33.204 -2.197 1.370 1.00 34.54 C ATOM 89 ND1 HIS A 7 32.495 -1.309 2.152 1.00 73.32 N ATOM 90 CD2 HIS A 7 32.281 -2.967 0.746 1.00 14.15 C ATOM 91 CE1 HIS A 7 31.201 -1.534 2.007 1.00 1.41 C ATOM 92 NE2 HIS A 7 31.044 -2.535 1.159 1.00 15.04 N ATOM 0 H HIS A 7 37.288 -2.020 1.879 1.00 32.42 H new ATOM 0 HA HIS A 7 34.766 -1.824 3.416 1.00 44.22 H new ATOM 0 HB2 HIS A 7 35.043 -1.297 0.823 1.00 44.21 H new ATOM 0 HB3 HIS A 7 35.017 -3.043 0.673 1.00 44.21 H new ATOM 0 HD2 HIS A 7 32.480 -3.771 0.053 1.00 14.15 H new ATOM 0 HE1 HIS A 7 30.407 -0.992 2.498 1.00 1.41 H new ATOM 0 HE2 HIS A 7 30.150 -2.924 0.860 1.00 15.04 H new ATOM 101 N HIS A 8 34.431 -4.318 3.713 1.00 20.02 N ATOM 102 CA HIS A 8 34.404 -5.711 4.146 1.00 2.33 C ATOM 103 C HIS A 8 33.120 -6.397 3.688 1.00 24.13 C ATOM 104 O HIS A 8 32.030 -5.840 3.807 1.00 42.24 O ATOM 105 CB HIS A 8 34.527 -5.796 5.668 1.00 45.32 C ATOM 106 CG HIS A 8 35.884 -5.424 6.181 1.00 62.32 C ATOM 107 ND1 HIS A 8 36.215 -4.145 6.577 1.00 60.12 N ATOM 108 CD2 HIS A 8 36.997 -6.172 6.364 1.00 43.11 C ATOM 109 CE1 HIS A 8 37.472 -4.122 6.980 1.00 64.21 C ATOM 110 NE2 HIS A 8 37.970 -5.340 6.860 1.00 35.11 N ATOM 0 H HIS A 8 33.593 -3.787 3.949 1.00 20.02 H new ATOM 0 HA HIS A 8 35.251 -6.224 3.691 1.00 2.33 H new ATOM 0 HB2 HIS A 8 33.784 -5.140 6.121 1.00 45.32 H new ATOM 0 HB3 HIS A 8 34.293 -6.812 5.987 1.00 45.32 H new ATOM 0 HD2 HIS A 8 37.101 -7.227 6.158 1.00 43.11 H new ATOM 0 HE1 HIS A 8 38.003 -3.255 7.345 1.00 64.21 H new ATOM 0 HE2 HIS A 8 38.923 -5.617 7.097 1.00 35.11 H new ATOM 119 N HIS A 9 33.260 -7.611 3.164 1.00 74.50 N ATOM 120 CA HIS A 9 32.112 -8.374 2.688 1.00 74.15 C ATOM 121 C HIS A 9 31.761 -9.494 3.664 1.00 51.55 C ATOM 122 O HIS A 9 32.447 -9.695 4.666 1.00 64.11 O ATOM 123 CB HIS A 9 32.398 -8.959 1.305 1.00 42.11 C ATOM 124 CG HIS A 9 33.368 -10.101 1.327 1.00 51.35 C ATOM 125 ND1 HIS A 9 34.727 -9.938 1.160 1.00 53.23 N ATOM 126 CD2 HIS A 9 33.168 -11.428 1.499 1.00 72.44 C ATOM 127 CE1 HIS A 9 35.321 -11.115 1.227 1.00 22.43 C ATOM 128 NE2 HIS A 9 34.397 -12.036 1.433 1.00 64.50 N ATOM 0 H HIS A 9 34.156 -8.087 3.059 1.00 74.50 H new ATOM 0 HA HIS A 9 31.261 -7.696 2.618 1.00 74.15 H new ATOM 0 HB2 HIS A 9 31.461 -9.297 0.862 1.00 42.11 H new ATOM 0 HB3 HIS A 9 32.790 -8.172 0.661 1.00 42.11 H new ATOM 0 HD2 HIS A 9 32.219 -11.918 1.658 1.00 72.44 H new ATOM 0 HE1 HIS A 9 36.382 -11.294 1.130 1.00 22.43 H new ATOM 0 HE2 HIS A 9 34.569 -13.037 1.528 1.00 64.50 H new ATOM 137 N HIS A 10 30.687 -10.218 3.365 1.00 21.00 N ATOM 138 CA HIS A 10 30.245 -11.317 4.215 1.00 35.34 C ATOM 139 C HIS A 10 30.107 -12.607 3.411 1.00 4.43 C ATOM 140 O HIS A 10 29.797 -12.576 2.220 1.00 1.12 O ATOM 141 CB HIS A 10 28.912 -10.973 4.879 1.00 12.42 C ATOM 142 CG HIS A 10 27.830 -10.625 3.904 1.00 73.12 C ATOM 143 ND1 HIS A 10 27.611 -9.343 3.447 1.00 44.33 N ATOM 144 CD2 HIS A 10 26.902 -11.402 3.297 1.00 35.22 C ATOM 145 CE1 HIS A 10 26.595 -9.346 2.602 1.00 43.10 C ATOM 146 NE2 HIS A 10 26.147 -10.583 2.494 1.00 60.50 N ATOM 0 H HIS A 10 30.107 -10.063 2.540 1.00 21.00 H new ATOM 0 HA HIS A 10 30.999 -11.470 4.987 1.00 35.34 H new ATOM 0 HB2 HIS A 10 28.587 -11.820 5.483 1.00 12.42 H new ATOM 0 HB3 HIS A 10 29.060 -10.135 5.560 1.00 12.42 H new ATOM 0 HD2 HIS A 10 26.779 -12.468 3.421 1.00 35.22 H new ATOM 0 HE1 HIS A 10 26.199 -8.483 2.087 1.00 43.10 H new ATOM 0 HE2 HIS A 10 25.367 -10.882 1.909 1.00 60.50 H new ATOM 155 N SER A 11 30.340 -13.738 4.069 1.00 0.43 N ATOM 156 CA SER A 11 30.247 -15.037 3.413 1.00 33.13 C ATOM 157 C SER A 11 28.996 -15.783 3.863 1.00 33.52 C ATOM 158 O SER A 11 28.528 -15.612 4.989 1.00 12.42 O ATOM 159 CB SER A 11 31.491 -15.875 3.715 1.00 50.52 C ATOM 160 OG SER A 11 31.737 -16.813 2.682 1.00 51.40 O ATOM 0 H SER A 11 30.595 -13.781 5.056 1.00 0.43 H new ATOM 0 HA SER A 11 30.183 -14.870 2.338 1.00 33.13 H new ATOM 0 HB2 SER A 11 32.355 -15.221 3.830 1.00 50.52 H new ATOM 0 HB3 SER A 11 31.360 -16.398 4.662 1.00 50.52 H new ATOM 0 HG SER A 11 32.538 -17.335 2.898 1.00 51.40 H new ATOM 166 N SER A 12 28.458 -16.614 2.976 1.00 63.00 N ATOM 167 CA SER A 12 27.258 -17.385 3.280 1.00 40.44 C ATOM 168 C SER A 12 27.471 -18.864 2.974 1.00 3.04 C ATOM 169 O SER A 12 28.111 -19.220 1.986 1.00 4.10 O ATOM 170 CB SER A 12 26.068 -16.854 2.478 1.00 11.00 C ATOM 171 OG SER A 12 26.392 -16.737 1.103 1.00 74.31 O ATOM 0 H SER A 12 28.834 -16.771 2.041 1.00 63.00 H new ATOM 0 HA SER A 12 27.047 -17.278 4.344 1.00 40.44 H new ATOM 0 HB2 SER A 12 25.216 -17.523 2.599 1.00 11.00 H new ATOM 0 HB3 SER A 12 25.767 -15.882 2.868 1.00 11.00 H new ATOM 0 HG SER A 12 25.615 -16.397 0.612 1.00 74.31 H new ATOM 177 N GLY A 13 26.929 -19.724 3.833 1.00 2.42 N ATOM 178 CA GLY A 13 27.072 -21.155 3.639 1.00 53.43 C ATOM 179 C GLY A 13 25.770 -21.901 3.853 1.00 14.04 C ATOM 180 O GLY A 13 25.284 -22.005 4.981 1.00 63.12 O ATOM 0 H GLY A 13 26.394 -19.455 4.659 1.00 2.42 H new ATOM 0 HA2 GLY A 13 27.436 -21.347 2.630 1.00 53.43 H new ATOM 0 HA3 GLY A 13 27.825 -21.539 4.328 1.00 53.43 H new ATOM 184 N LEU A 14 25.202 -22.420 2.771 1.00 35.52 N ATOM 185 CA LEU A 14 23.947 -23.160 2.846 1.00 70.40 C ATOM 186 C LEU A 14 24.157 -24.628 2.489 1.00 42.10 C ATOM 187 O LEU A 14 23.900 -25.518 3.301 1.00 45.52 O ATOM 188 CB LEU A 14 22.910 -22.540 1.908 1.00 53.42 C ATOM 189 CG LEU A 14 21.552 -23.241 1.849 1.00 43.12 C ATOM 190 CD1 LEU A 14 20.716 -22.890 3.068 1.00 33.15 C ATOM 191 CD2 LEU A 14 20.816 -22.870 0.570 1.00 62.52 C ATOM 0 H LEU A 14 25.590 -22.342 1.831 1.00 35.52 H new ATOM 0 HA LEU A 14 23.582 -23.103 3.871 1.00 70.40 H new ATOM 0 HB2 LEU A 14 22.749 -21.505 2.210 1.00 53.42 H new ATOM 0 HB3 LEU A 14 23.328 -22.517 0.902 1.00 53.42 H new ATOM 0 HG LEU A 14 21.721 -24.318 1.849 1.00 43.12 H new ATOM 0 HD11 LEU A 14 19.754 -23.398 3.008 1.00 33.15 H new ATOM 0 HD12 LEU A 14 21.238 -23.207 3.971 1.00 33.15 H new ATOM 0 HD13 LEU A 14 20.556 -21.812 3.101 1.00 33.15 H new ATOM 0 HD21 LEU A 14 19.852 -23.378 0.545 1.00 62.52 H new ATOM 0 HD22 LEU A 14 20.659 -21.792 0.540 1.00 62.52 H new ATOM 0 HD23 LEU A 14 21.409 -23.174 -0.292 1.00 62.52 H new ATOM 203 N VAL A 15 24.628 -24.874 1.271 1.00 64.11 N ATOM 204 CA VAL A 15 24.877 -26.234 0.807 1.00 40.53 C ATOM 205 C VAL A 15 23.613 -27.082 0.892 1.00 24.21 C ATOM 206 O VAL A 15 22.666 -26.761 1.609 1.00 32.34 O ATOM 207 CB VAL A 15 25.993 -26.911 1.626 1.00 53.13 C ATOM 208 CG1 VAL A 15 26.803 -25.871 2.385 1.00 2.21 C ATOM 209 CG2 VAL A 15 25.404 -27.940 2.578 1.00 21.34 C ATOM 0 H VAL A 15 24.845 -24.149 0.587 1.00 64.11 H new ATOM 0 HA VAL A 15 25.194 -26.162 -0.233 1.00 40.53 H new ATOM 0 HB VAL A 15 26.663 -27.428 0.939 1.00 53.13 H new ATOM 0 HG11 VAL A 15 27.587 -26.367 2.958 1.00 2.21 H new ATOM 0 HG12 VAL A 15 27.255 -25.175 1.678 1.00 2.21 H new ATOM 0 HG13 VAL A 15 26.148 -25.324 3.064 1.00 2.21 H new ATOM 0 HG21 VAL A 15 26.206 -28.409 3.149 1.00 21.34 H new ATOM 0 HG22 VAL A 15 24.711 -27.449 3.261 1.00 21.34 H new ATOM 0 HG23 VAL A 15 24.872 -28.701 2.007 1.00 21.34 H new ATOM 219 N PRO A 16 23.597 -28.195 0.142 1.00 51.03 N ATOM 220 CA PRO A 16 22.456 -29.114 0.115 1.00 73.52 C ATOM 221 C PRO A 16 22.296 -29.878 1.425 1.00 72.11 C ATOM 222 O PRO A 16 23.141 -30.698 1.783 1.00 11.41 O ATOM 223 CB PRO A 16 22.801 -30.075 -1.026 1.00 51.01 C ATOM 224 CG PRO A 16 24.287 -30.039 -1.114 1.00 43.31 C ATOM 225 CD PRO A 16 24.690 -28.640 -0.739 1.00 32.25 C ATOM 0 HA PRO A 16 21.512 -28.587 -0.024 1.00 73.52 H new ATOM 0 HB2 PRO A 16 22.441 -31.083 -0.818 1.00 51.01 H new ATOM 0 HB3 PRO A 16 22.341 -29.759 -1.962 1.00 51.01 H new ATOM 0 HG2 PRO A 16 24.736 -30.768 -0.440 1.00 43.31 H new ATOM 0 HG3 PRO A 16 24.624 -30.286 -2.121 1.00 43.31 H new ATOM 0 HD2 PRO A 16 25.652 -28.623 -0.226 1.00 32.25 H new ATOM 0 HD3 PRO A 16 24.785 -28.000 -1.616 1.00 32.25 H new ATOM 233 N ARG A 17 21.206 -29.604 2.135 1.00 72.14 N ATOM 234 CA ARG A 17 20.937 -30.266 3.406 1.00 50.45 C ATOM 235 C ARG A 17 19.858 -31.333 3.245 1.00 23.13 C ATOM 236 O ARG A 17 20.150 -32.529 3.239 1.00 55.22 O ATOM 237 CB ARG A 17 20.503 -29.241 4.456 1.00 73.51 C ATOM 238 CG ARG A 17 21.615 -28.296 4.881 1.00 15.10 C ATOM 239 CD ARG A 17 21.433 -27.832 6.318 1.00 12.01 C ATOM 240 NE ARG A 17 20.401 -26.805 6.435 1.00 53.11 N ATOM 241 CZ ARG A 17 20.288 -25.993 7.479 1.00 14.21 C ATOM 242 NH1 ARG A 17 21.138 -26.087 8.492 1.00 33.42 N ATOM 243 NH2 ARG A 17 19.323 -25.083 7.513 1.00 74.43 N ATOM 0 H ARG A 17 20.496 -28.929 1.852 1.00 72.14 H new ATOM 0 HA ARG A 17 21.856 -30.750 3.738 1.00 50.45 H new ATOM 0 HB2 ARG A 17 19.673 -28.656 4.059 1.00 73.51 H new ATOM 0 HB3 ARG A 17 20.131 -29.768 5.334 1.00 73.51 H new ATOM 0 HG2 ARG A 17 22.578 -28.796 4.778 1.00 15.10 H new ATOM 0 HG3 ARG A 17 21.632 -27.431 4.218 1.00 15.10 H new ATOM 0 HD2 ARG A 17 21.168 -28.685 6.943 1.00 12.01 H new ATOM 0 HD3 ARG A 17 22.378 -27.441 6.695 1.00 12.01 H new ATOM 0 HE ARG A 17 19.730 -26.706 5.673 1.00 53.11 H new ATOM 0 HH11 ARG A 17 21.882 -26.785 8.471 1.00 33.42 H new ATOM 0 HH12 ARG A 17 21.048 -25.461 9.293 1.00 33.42 H new ATOM 0 HH21 ARG A 17 18.666 -25.007 6.736 1.00 74.43 H new ATOM 0 HH22 ARG A 17 19.238 -24.460 8.316 1.00 74.43 H new ATOM 257 N GLY A 18 18.610 -30.892 3.116 1.00 11.15 N ATOM 258 CA GLY A 18 17.507 -31.822 2.958 1.00 4.15 C ATOM 259 C GLY A 18 16.439 -31.300 2.020 1.00 72.15 C ATOM 260 O GLY A 18 16.146 -30.104 2.004 1.00 25.14 O ATOM 0 H GLY A 18 18.343 -29.907 3.118 1.00 11.15 H new ATOM 0 HA2 GLY A 18 17.887 -32.771 2.579 1.00 4.15 H new ATOM 0 HA3 GLY A 18 17.063 -32.023 3.933 1.00 4.15 H new ATOM 264 N SER A 19 15.853 -32.197 1.233 1.00 25.52 N ATOM 265 CA SER A 19 14.814 -31.819 0.283 1.00 65.22 C ATOM 266 C SER A 19 13.428 -31.999 0.894 1.00 31.10 C ATOM 267 O SER A 19 12.517 -31.211 0.638 1.00 71.21 O ATOM 268 CB SER A 19 14.933 -32.654 -0.994 1.00 21.11 C ATOM 269 OG SER A 19 16.270 -32.683 -1.461 1.00 51.13 O ATOM 0 H SER A 19 16.081 -33.191 1.235 1.00 25.52 H new ATOM 0 HA SER A 19 14.949 -30.766 0.035 1.00 65.22 H new ATOM 0 HB2 SER A 19 14.590 -33.670 -0.801 1.00 21.11 H new ATOM 0 HB3 SER A 19 14.284 -32.239 -1.765 1.00 21.11 H new ATOM 0 HG SER A 19 16.320 -33.224 -2.277 1.00 51.13 H new ATOM 275 N HIS A 20 13.275 -33.043 1.703 1.00 14.40 N ATOM 276 CA HIS A 20 12.000 -33.326 2.353 1.00 65.03 C ATOM 277 C HIS A 20 11.888 -32.580 3.679 1.00 73.34 C ATOM 278 O HIS A 20 12.817 -31.888 4.094 1.00 63.14 O ATOM 279 CB HIS A 20 11.846 -34.829 2.586 1.00 25.10 C ATOM 280 CG HIS A 20 11.222 -35.553 1.433 1.00 72.21 C ATOM 281 ND1 HIS A 20 11.271 -35.089 0.136 1.00 11.31 N ATOM 282 CD2 HIS A 20 10.531 -36.717 1.388 1.00 20.22 C ATOM 283 CE1 HIS A 20 10.637 -35.933 -0.657 1.00 32.02 C ATOM 284 NE2 HIS A 20 10.179 -36.930 0.078 1.00 63.22 N ATOM 0 H HIS A 20 14.018 -33.706 1.924 1.00 14.40 H new ATOM 0 HA HIS A 20 11.201 -32.983 1.695 1.00 65.03 H new ATOM 0 HB2 HIS A 20 12.827 -35.260 2.787 1.00 25.10 H new ATOM 0 HB3 HIS A 20 11.239 -34.990 3.477 1.00 25.10 H new ATOM 0 HD2 HIS A 20 10.300 -37.358 2.226 1.00 20.22 H new ATOM 0 HE1 HIS A 20 10.514 -35.826 -1.725 1.00 32.02 H new ATOM 0 HE2 HIS A 20 9.650 -37.729 -0.271 1.00 63.22 H new ATOM 293 N MET A 21 10.743 -32.725 4.338 1.00 50.21 N ATOM 294 CA MET A 21 10.510 -32.065 5.617 1.00 55.34 C ATOM 295 C MET A 21 9.238 -32.590 6.277 1.00 24.44 C ATOM 296 O MET A 21 8.285 -32.968 5.595 1.00 63.24 O ATOM 297 CB MET A 21 10.407 -30.551 5.423 1.00 51.43 C ATOM 298 CG MET A 21 9.235 -30.127 4.551 1.00 5.45 C ATOM 299 SD MET A 21 9.669 -30.033 2.804 1.00 53.44 S ATOM 300 CE MET A 21 8.621 -31.316 2.125 1.00 63.10 C ATOM 0 H MET A 21 9.963 -33.293 4.008 1.00 50.21 H new ATOM 0 HA MET A 21 11.355 -32.285 6.269 1.00 55.34 H new ATOM 0 HB2 MET A 21 10.315 -30.074 6.399 1.00 51.43 H new ATOM 0 HB3 MET A 21 11.332 -30.187 4.976 1.00 51.43 H new ATOM 0 HG2 MET A 21 8.416 -30.834 4.681 1.00 5.45 H new ATOM 0 HG3 MET A 21 8.872 -29.155 4.884 1.00 5.45 H new ATOM 0 HE1 MET A 21 9.039 -31.665 1.181 1.00 63.10 H new ATOM 0 HE2 MET A 21 8.564 -32.148 2.826 1.00 63.10 H new ATOM 0 HE3 MET A 21 7.621 -30.917 1.954 1.00 63.10 H new ATOM 310 N ILE A 22 9.232 -32.612 7.605 1.00 33.22 N ATOM 311 CA ILE A 22 8.078 -33.091 8.356 1.00 51.30 C ATOM 312 C ILE A 22 7.746 -32.154 9.512 1.00 21.14 C ATOM 313 O ILE A 22 8.615 -31.443 10.017 1.00 1.14 O ATOM 314 CB ILE A 22 8.315 -34.508 8.910 1.00 4.52 C ATOM 315 CG1 ILE A 22 6.999 -35.112 9.406 1.00 3.13 C ATOM 316 CG2 ILE A 22 9.344 -34.473 10.030 1.00 62.24 C ATOM 317 CD1 ILE A 22 7.097 -36.586 9.733 1.00 31.05 C ATOM 0 H ILE A 22 10.013 -32.304 8.184 1.00 33.22 H new ATOM 0 HA ILE A 22 7.239 -33.117 7.661 1.00 51.30 H new ATOM 0 HB ILE A 22 8.701 -35.136 8.108 1.00 4.52 H new ATOM 0 HG12 ILE A 22 6.673 -34.572 10.295 1.00 3.13 H new ATOM 0 HG13 ILE A 22 6.232 -34.967 8.645 1.00 3.13 H new ATOM 0 HG21 ILE A 22 9.501 -35.482 10.412 1.00 62.24 H new ATOM 0 HG22 ILE A 22 10.285 -34.079 9.647 1.00 62.24 H new ATOM 0 HG23 ILE A 22 8.984 -33.833 10.835 1.00 62.24 H new ATOM 0 HD11 ILE A 22 6.128 -36.947 10.078 1.00 31.05 H new ATOM 0 HD12 ILE A 22 7.393 -37.138 8.841 1.00 31.05 H new ATOM 0 HD13 ILE A 22 7.840 -36.736 10.516 1.00 31.05 H new ATOM 329 N SER A 23 6.484 -32.159 9.928 1.00 75.22 N ATOM 330 CA SER A 23 6.036 -31.309 11.024 1.00 2.50 C ATOM 331 C SER A 23 6.908 -31.511 12.260 1.00 1.22 C ATOM 332 O SER A 23 7.069 -30.603 13.076 1.00 30.33 O ATOM 333 CB SER A 23 4.574 -31.604 11.363 1.00 52.21 C ATOM 334 OG SER A 23 3.785 -31.681 10.189 1.00 74.34 O ATOM 0 H SER A 23 5.753 -32.743 9.522 1.00 75.22 H new ATOM 0 HA SER A 23 6.124 -30.271 10.704 1.00 2.50 H new ATOM 0 HB2 SER A 23 4.507 -32.543 11.912 1.00 52.21 H new ATOM 0 HB3 SER A 23 4.184 -30.824 12.017 1.00 52.21 H new ATOM 0 HG SER A 23 2.855 -31.872 10.432 1.00 74.34 H new ATOM 340 N LEU A 24 7.467 -32.709 12.392 1.00 44.54 N ATOM 341 CA LEU A 24 8.323 -33.034 13.527 1.00 45.31 C ATOM 342 C LEU A 24 9.461 -32.025 13.657 1.00 74.31 C ATOM 343 O LEU A 24 9.971 -31.788 14.752 1.00 22.10 O ATOM 344 CB LEU A 24 8.892 -34.445 13.374 1.00 31.35 C ATOM 345 CG LEU A 24 7.898 -35.528 12.956 1.00 65.13 C ATOM 346 CD1 LEU A 24 8.573 -36.891 12.930 1.00 62.53 C ATOM 347 CD2 LEU A 24 6.698 -35.542 13.891 1.00 23.24 C ATOM 0 H LEU A 24 7.343 -33.472 11.726 1.00 44.54 H new ATOM 0 HA LEU A 24 7.717 -32.990 14.432 1.00 45.31 H new ATOM 0 HB2 LEU A 24 9.695 -34.413 12.638 1.00 31.35 H new ATOM 0 HB3 LEU A 24 9.341 -34.739 14.323 1.00 31.35 H new ATOM 0 HG LEU A 24 7.545 -35.301 11.950 1.00 65.13 H new ATOM 0 HD11 LEU A 24 7.850 -37.649 12.630 1.00 62.53 H new ATOM 0 HD12 LEU A 24 9.398 -36.875 12.218 1.00 62.53 H new ATOM 0 HD13 LEU A 24 8.955 -37.127 13.923 1.00 62.53 H new ATOM 0 HD21 LEU A 24 6.001 -36.320 13.577 1.00 23.24 H new ATOM 0 HD22 LEU A 24 7.032 -35.743 14.909 1.00 23.24 H new ATOM 0 HD23 LEU A 24 6.199 -34.573 13.858 1.00 23.24 H new ATOM 359 N SER A 25 9.852 -31.434 12.533 1.00 52.43 N ATOM 360 CA SER A 25 10.930 -30.452 12.521 1.00 74.34 C ATOM 361 C SER A 25 10.553 -29.241 11.673 1.00 15.10 C ATOM 362 O SER A 25 10.130 -29.380 10.526 1.00 44.23 O ATOM 363 CB SER A 25 12.216 -31.083 11.986 1.00 45.31 C ATOM 364 OG SER A 25 12.019 -31.626 10.692 1.00 35.20 O ATOM 0 H SER A 25 9.439 -31.618 11.619 1.00 52.43 H new ATOM 0 HA SER A 25 11.096 -30.118 13.545 1.00 74.34 H new ATOM 0 HB2 SER A 25 13.006 -30.333 11.952 1.00 45.31 H new ATOM 0 HB3 SER A 25 12.550 -31.867 12.666 1.00 45.31 H new ATOM 0 HG SER A 25 11.364 -31.083 10.206 1.00 35.20 H new ATOM 370 N GLY A 26 10.709 -28.052 12.247 1.00 13.33 N ATOM 371 CA GLY A 26 10.381 -26.833 11.531 1.00 23.11 C ATOM 372 C GLY A 26 11.481 -25.794 11.619 1.00 35.20 C ATOM 373 O GLY A 26 11.460 -24.931 12.498 1.00 45.32 O ATOM 0 H GLY A 26 11.057 -27.911 13.195 1.00 13.33 H new ATOM 0 HA2 GLY A 26 10.193 -27.070 10.484 1.00 23.11 H new ATOM 0 HA3 GLY A 26 9.458 -26.416 11.934 1.00 23.11 H new ATOM 377 N LEU A 27 12.445 -25.877 10.709 1.00 3.43 N ATOM 378 CA LEU A 27 13.561 -24.937 10.690 1.00 43.23 C ATOM 379 C LEU A 27 13.556 -24.114 9.405 1.00 50.32 C ATOM 380 O LEU A 27 14.205 -23.071 9.320 1.00 1.41 O ATOM 381 CB LEU A 27 14.888 -25.686 10.822 1.00 75.42 C ATOM 382 CG LEU A 27 16.143 -24.903 10.436 1.00 35.45 C ATOM 383 CD1 LEU A 27 16.274 -23.652 11.291 1.00 1.35 C ATOM 384 CD2 LEU A 27 17.380 -25.778 10.574 1.00 3.11 C ATOM 0 H LEU A 27 12.477 -26.585 9.975 1.00 3.43 H new ATOM 0 HA LEU A 27 13.448 -24.260 11.536 1.00 43.23 H new ATOM 0 HB2 LEU A 27 14.994 -26.017 11.855 1.00 75.42 H new ATOM 0 HB3 LEU A 27 14.839 -26.582 10.204 1.00 75.42 H new ATOM 0 HG LEU A 27 16.053 -24.598 9.393 1.00 35.45 H new ATOM 0 HD11 LEU A 27 17.173 -23.107 11.003 1.00 1.35 H new ATOM 0 HD12 LEU A 27 15.401 -23.017 11.142 1.00 1.35 H new ATOM 0 HD13 LEU A 27 16.342 -23.935 12.341 1.00 1.35 H new ATOM 0 HD21 LEU A 27 18.264 -25.205 10.295 1.00 3.11 H new ATOM 0 HD22 LEU A 27 17.475 -26.113 11.607 1.00 3.11 H new ATOM 0 HD23 LEU A 27 17.288 -26.644 9.919 1.00 3.11 H new ATOM 396 N THR A 28 12.816 -24.587 8.407 1.00 24.33 N ATOM 397 CA THR A 28 12.726 -23.895 7.128 1.00 52.11 C ATOM 398 C THR A 28 11.423 -23.111 7.018 1.00 1.13 C ATOM 399 O THR A 28 10.498 -23.312 7.805 1.00 73.41 O ATOM 400 CB THR A 28 12.819 -24.881 5.948 1.00 52.23 C ATOM 401 OG1 THR A 28 11.603 -25.629 5.837 1.00 52.44 O ATOM 402 CG2 THR A 28 13.991 -25.833 6.129 1.00 60.01 C ATOM 0 H THR A 28 12.270 -25.447 8.460 1.00 24.33 H new ATOM 0 HA THR A 28 13.568 -23.204 7.082 1.00 52.11 H new ATOM 0 HB THR A 28 12.976 -24.306 5.035 1.00 52.23 H new ATOM 0 HG1 THR A 28 11.670 -26.252 5.084 1.00 52.44 H new ATOM 0 HG21 THR A 28 14.036 -26.519 5.284 1.00 60.01 H new ATOM 0 HG22 THR A 28 14.918 -25.262 6.183 1.00 60.01 H new ATOM 0 HG23 THR A 28 13.860 -26.400 7.050 1.00 60.01 H new ATOM 410 N SER A 29 11.357 -22.216 6.038 1.00 64.25 N ATOM 411 CA SER A 29 10.167 -21.400 5.827 1.00 4.33 C ATOM 412 C SER A 29 9.395 -21.870 4.599 1.00 71.32 C ATOM 413 O SER A 29 9.690 -22.923 4.032 1.00 72.04 O ATOM 414 CB SER A 29 10.555 -19.928 5.666 1.00 22.24 C ATOM 415 OG SER A 29 10.790 -19.608 4.306 1.00 63.53 O ATOM 0 H SER A 29 12.113 -22.037 5.377 1.00 64.25 H new ATOM 0 HA SER A 29 9.524 -21.507 6.701 1.00 4.33 H new ATOM 0 HB2 SER A 29 9.760 -19.294 6.060 1.00 22.24 H new ATOM 0 HB3 SER A 29 11.450 -19.718 6.252 1.00 22.24 H new ATOM 0 HG SER A 29 11.034 -18.662 4.230 1.00 63.53 H new ATOM 421 N SER A 30 8.404 -21.083 4.192 1.00 10.45 N ATOM 422 CA SER A 30 7.586 -21.420 3.034 1.00 70.13 C ATOM 423 C SER A 30 7.844 -20.448 1.885 1.00 75.41 C ATOM 424 O SER A 30 8.623 -19.505 2.019 1.00 62.20 O ATOM 425 CB SER A 30 6.102 -21.403 3.408 1.00 4.14 C ATOM 426 OG SER A 30 5.772 -22.505 4.235 1.00 63.32 O ATOM 0 H SER A 30 8.149 -20.207 4.648 1.00 10.45 H new ATOM 0 HA SER A 30 7.859 -22.423 2.707 1.00 70.13 H new ATOM 0 HB2 SER A 30 5.865 -20.473 3.924 1.00 4.14 H new ATOM 0 HB3 SER A 30 5.495 -21.429 2.503 1.00 4.14 H new ATOM 0 HG SER A 30 4.819 -22.470 4.461 1.00 63.32 H new ATOM 432 N VAL A 31 7.182 -20.688 0.758 1.00 54.55 N ATOM 433 CA VAL A 31 7.337 -19.834 -0.415 1.00 2.54 C ATOM 434 C VAL A 31 6.171 -18.861 -0.544 1.00 42.41 C ATOM 435 O VAL A 31 5.615 -18.685 -1.628 1.00 70.31 O ATOM 436 CB VAL A 31 7.443 -20.667 -1.706 1.00 1.12 C ATOM 437 CG1 VAL A 31 8.743 -21.457 -1.727 1.00 51.52 C ATOM 438 CG2 VAL A 31 6.244 -21.595 -1.840 1.00 14.02 C ATOM 0 H VAL A 31 6.534 -21.465 0.632 1.00 54.55 H new ATOM 0 HA VAL A 31 8.261 -19.272 -0.278 1.00 2.54 H new ATOM 0 HB VAL A 31 7.445 -19.987 -2.558 1.00 1.12 H new ATOM 0 HG11 VAL A 31 8.800 -22.039 -2.647 1.00 51.52 H new ATOM 0 HG12 VAL A 31 9.587 -20.769 -1.680 1.00 51.52 H new ATOM 0 HG13 VAL A 31 8.774 -22.129 -0.869 1.00 51.52 H new ATOM 0 HG21 VAL A 31 6.335 -22.176 -2.758 1.00 14.02 H new ATOM 0 HG22 VAL A 31 6.209 -22.270 -0.985 1.00 14.02 H new ATOM 0 HG23 VAL A 31 5.329 -21.004 -1.874 1.00 14.02 H new ATOM 448 N GLU A 32 5.806 -18.230 0.568 1.00 64.31 N ATOM 449 CA GLU A 32 4.705 -17.275 0.577 1.00 75.21 C ATOM 450 C GLU A 32 5.090 -15.993 -0.157 1.00 22.42 C ATOM 451 O GLU A 32 4.230 -15.273 -0.662 1.00 50.32 O ATOM 452 CB GLU A 32 4.295 -16.948 2.015 1.00 24.42 C ATOM 453 CG GLU A 32 5.419 -16.354 2.847 1.00 12.51 C ATOM 454 CD GLU A 32 5.218 -16.565 4.335 1.00 34.54 C ATOM 455 OE1 GLU A 32 4.496 -17.515 4.707 1.00 73.41 O ATOM 456 OE2 GLU A 32 5.780 -15.782 5.128 1.00 11.53 O ATOM 0 H GLU A 32 6.257 -18.363 1.473 1.00 64.31 H new ATOM 0 HA GLU A 32 3.860 -17.730 0.060 1.00 75.21 H new ATOM 0 HB2 GLU A 32 3.459 -16.248 1.996 1.00 24.42 H new ATOM 0 HB3 GLU A 32 3.938 -17.858 2.498 1.00 24.42 H new ATOM 0 HG2 GLU A 32 6.366 -16.802 2.545 1.00 12.51 H new ATOM 0 HG3 GLU A 32 5.492 -15.286 2.642 1.00 12.51 H new ATOM 464 N SER A 33 6.389 -15.717 -0.210 1.00 23.11 N ATOM 465 CA SER A 33 6.889 -14.521 -0.878 1.00 61.24 C ATOM 466 C SER A 33 7.755 -14.891 -2.078 1.00 12.12 C ATOM 467 O SER A 33 7.919 -14.099 -3.006 1.00 42.41 O ATOM 468 CB SER A 33 7.693 -13.663 0.101 1.00 35.21 C ATOM 469 OG SER A 33 8.261 -12.541 -0.552 1.00 54.43 O ATOM 0 H SER A 33 7.114 -16.305 0.201 1.00 23.11 H new ATOM 0 HA SER A 33 6.032 -13.948 -1.233 1.00 61.24 H new ATOM 0 HB2 SER A 33 7.046 -13.327 0.911 1.00 35.21 H new ATOM 0 HB3 SER A 33 8.483 -14.264 0.552 1.00 35.21 H new ATOM 0 HG SER A 33 8.768 -12.008 0.095 1.00 54.43 H new ATOM 475 N ASP A 34 8.308 -16.098 -2.051 1.00 73.14 N ATOM 476 CA ASP A 34 9.157 -16.575 -3.137 1.00 21.13 C ATOM 477 C ASP A 34 8.399 -16.574 -4.460 1.00 0.24 C ATOM 478 O ASP A 34 9.002 -16.523 -5.533 1.00 23.21 O ATOM 479 CB ASP A 34 9.670 -17.983 -2.829 1.00 45.31 C ATOM 480 CG ASP A 34 10.191 -18.691 -4.065 1.00 63.33 C ATOM 481 OD1 ASP A 34 9.647 -19.761 -4.409 1.00 71.34 O ATOM 482 OD2 ASP A 34 11.142 -18.175 -4.688 1.00 3.32 O ATOM 0 H ASP A 34 8.184 -16.765 -1.289 1.00 73.14 H new ATOM 0 HA ASP A 34 10.007 -15.898 -3.226 1.00 21.13 H new ATOM 0 HB2 ASP A 34 10.465 -17.923 -2.086 1.00 45.31 H new ATOM 0 HB3 ASP A 34 8.865 -18.572 -2.388 1.00 45.31 H new ATOM 488 N LEU A 35 7.075 -16.632 -4.378 1.00 54.40 N ATOM 489 CA LEU A 35 6.233 -16.638 -5.570 1.00 33.23 C ATOM 490 C LEU A 35 5.804 -15.222 -5.941 1.00 21.25 C ATOM 491 O LEU A 35 4.879 -15.030 -6.730 1.00 25.20 O ATOM 492 CB LEU A 35 4.999 -17.514 -5.342 1.00 12.35 C ATOM 493 CG LEU A 35 5.101 -18.957 -5.833 1.00 62.33 C ATOM 494 CD1 LEU A 35 5.641 -19.859 -4.734 1.00 33.43 C ATOM 495 CD2 LEU A 35 3.746 -19.454 -6.314 1.00 73.35 C ATOM 0 H LEU A 35 6.560 -16.676 -3.498 1.00 54.40 H new ATOM 0 HA LEU A 35 6.816 -17.049 -6.395 1.00 33.23 H new ATOM 0 HB2 LEU A 35 4.781 -17.529 -4.274 1.00 12.35 H new ATOM 0 HB3 LEU A 35 4.148 -17.043 -5.834 1.00 12.35 H new ATOM 0 HG LEU A 35 5.796 -18.986 -6.672 1.00 62.33 H new ATOM 0 HD11 LEU A 35 5.706 -20.883 -5.103 1.00 33.43 H new ATOM 0 HD12 LEU A 35 6.632 -19.517 -4.436 1.00 33.43 H new ATOM 0 HD13 LEU A 35 4.972 -19.825 -3.874 1.00 33.43 H new ATOM 0 HD21 LEU A 35 3.838 -20.484 -6.660 1.00 73.35 H new ATOM 0 HD22 LEU A 35 3.030 -19.410 -5.493 1.00 73.35 H new ATOM 0 HD23 LEU A 35 3.398 -18.825 -7.134 1.00 73.35 H new ATOM 507 N ASP A 36 6.484 -14.235 -5.369 1.00 63.20 N ATOM 508 CA ASP A 36 6.176 -12.836 -5.643 1.00 1.02 C ATOM 509 C ASP A 36 6.744 -12.409 -6.993 1.00 4.25 C ATOM 510 O ASP A 36 6.236 -11.483 -7.626 1.00 23.54 O ATOM 511 CB ASP A 36 6.734 -11.942 -4.534 1.00 2.33 C ATOM 512 CG ASP A 36 6.239 -10.513 -4.638 1.00 42.12 C ATOM 513 OD1 ASP A 36 5.508 -10.070 -3.727 1.00 2.11 O ATOM 514 OD2 ASP A 36 6.583 -9.837 -5.630 1.00 41.31 O ATOM 0 H ASP A 36 7.252 -14.377 -4.713 1.00 63.20 H new ATOM 0 HA ASP A 36 5.092 -12.727 -5.675 1.00 1.02 H new ATOM 0 HB2 ASP A 36 6.451 -12.352 -3.564 1.00 2.33 H new ATOM 0 HB3 ASP A 36 7.823 -11.950 -4.578 1.00 2.33 H new ATOM 520 N MET A 37 7.801 -13.087 -7.425 1.00 4.30 N ATOM 521 CA MET A 37 8.439 -12.778 -8.699 1.00 45.54 C ATOM 522 C MET A 37 7.432 -12.852 -9.844 1.00 31.35 C ATOM 523 O MET A 37 7.410 -11.988 -10.720 1.00 33.15 O ATOM 524 CB MET A 37 9.599 -13.740 -8.962 1.00 75.53 C ATOM 525 CG MET A 37 10.654 -13.734 -7.868 1.00 74.22 C ATOM 526 SD MET A 37 11.444 -12.125 -7.675 1.00 50.22 S ATOM 527 CE MET A 37 13.077 -12.613 -7.126 1.00 63.11 C ATOM 0 H MET A 37 8.234 -13.854 -6.912 1.00 4.30 H new ATOM 0 HA MET A 37 8.827 -11.761 -8.644 1.00 45.54 H new ATOM 0 HB2 MET A 37 9.205 -14.751 -9.070 1.00 75.53 H new ATOM 0 HB3 MET A 37 10.069 -13.479 -9.910 1.00 75.53 H new ATOM 0 HG2 MET A 37 10.194 -14.024 -6.923 1.00 74.22 H new ATOM 0 HG3 MET A 37 11.413 -14.482 -8.096 1.00 74.22 H new ATOM 0 HE1 MET A 37 13.687 -11.724 -6.963 1.00 63.11 H new ATOM 0 HE2 MET A 37 12.995 -13.173 -6.194 1.00 63.11 H new ATOM 0 HE3 MET A 37 13.544 -13.239 -7.886 1.00 63.11 H new ATOM 537 N GLN A 38 6.601 -13.890 -9.828 1.00 12.44 N ATOM 538 CA GLN A 38 5.593 -14.075 -10.865 1.00 71.21 C ATOM 539 C GLN A 38 4.720 -12.833 -11.004 1.00 50.23 C ATOM 540 O GLN A 38 4.297 -12.481 -12.105 1.00 25.21 O ATOM 541 CB GLN A 38 4.723 -15.292 -10.547 1.00 75.32 C ATOM 542 CG GLN A 38 5.395 -16.620 -10.859 1.00 42.21 C ATOM 543 CD GLN A 38 4.410 -17.684 -11.301 1.00 55.12 C ATOM 544 OE1 GLN A 38 4.296 -17.984 -12.490 1.00 72.24 O ATOM 545 NE2 GLN A 38 3.691 -18.259 -10.345 1.00 31.12 N ATOM 0 H GLN A 38 6.606 -14.614 -9.110 1.00 12.44 H new ATOM 0 HA GLN A 38 6.107 -14.242 -11.811 1.00 71.21 H new ATOM 0 HB2 GLN A 38 4.454 -15.270 -9.491 1.00 75.32 H new ATOM 0 HB3 GLN A 38 3.795 -15.222 -11.114 1.00 75.32 H new ATOM 0 HG2 GLN A 38 6.139 -16.471 -11.642 1.00 42.21 H new ATOM 0 HG3 GLN A 38 5.928 -16.969 -9.975 1.00 42.21 H new ATOM 0 HE21 GLN A 38 3.819 -17.979 -9.373 1.00 31.12 H new ATOM 0 HE22 GLN A 38 3.011 -18.981 -10.583 1.00 31.12 H new ATOM 554 N GLN A 39 4.453 -12.174 -9.881 1.00 73.42 N ATOM 555 CA GLN A 39 3.628 -10.972 -9.878 1.00 65.40 C ATOM 556 C GLN A 39 4.226 -9.900 -10.784 1.00 75.21 C ATOM 557 O GLN A 39 3.521 -9.009 -11.256 1.00 43.10 O ATOM 558 CB GLN A 39 3.481 -10.431 -8.455 1.00 2.44 C ATOM 559 CG GLN A 39 2.943 -11.453 -7.468 1.00 63.04 C ATOM 560 CD GLN A 39 2.594 -10.841 -6.126 1.00 62.30 C ATOM 561 OE1 GLN A 39 3.487 -10.009 -5.604 1.00 5.02 O flip ATOM 562 NE2 GLN A 39 1.532 -11.112 -5.564 1.00 5.33 N flip ATOM 0 H GLN A 39 4.796 -12.452 -8.962 1.00 73.42 H new ATOM 0 HA GLN A 39 2.642 -11.237 -10.261 1.00 65.40 H new ATOM 0 HB2 GLN A 39 4.452 -10.079 -8.107 1.00 2.44 H new ATOM 0 HB3 GLN A 39 2.816 -9.568 -8.470 1.00 2.44 H new ATOM 0 HG2 GLN A 39 2.056 -11.927 -7.889 1.00 63.04 H new ATOM 0 HG3 GLN A 39 3.685 -12.238 -7.323 1.00 63.04 H new ATOM 0 HE21 GLN A 39 0.874 -11.757 -6.001 1.00 5.33 H new ATOM 0 HE22 GLN A 39 1.311 -10.691 -4.662 1.00 5.33 H new ATOM 571 N ALA A 40 5.531 -9.994 -11.021 1.00 35.00 N ATOM 572 CA ALA A 40 6.223 -9.033 -11.871 1.00 51.04 C ATOM 573 C ALA A 40 5.655 -9.043 -13.286 1.00 43.34 C ATOM 574 O ALA A 40 5.833 -8.089 -14.043 1.00 11.41 O ATOM 575 CB ALA A 40 7.714 -9.330 -11.897 1.00 22.00 C ATOM 0 H ALA A 40 6.129 -10.725 -10.637 1.00 35.00 H new ATOM 0 HA ALA A 40 6.069 -8.038 -11.453 1.00 51.04 H new ATOM 0 HB1 ALA A 40 8.218 -8.605 -12.536 1.00 22.00 H new ATOM 0 HB2 ALA A 40 8.116 -9.265 -10.886 1.00 22.00 H new ATOM 0 HB3 ALA A 40 7.878 -10.334 -12.288 1.00 22.00 H new ATOM 581 N MET A 41 4.970 -10.127 -13.637 1.00 11.35 N ATOM 582 CA MET A 41 4.376 -10.259 -14.962 1.00 55.31 C ATOM 583 C MET A 41 3.000 -9.602 -15.008 1.00 0.30 C ATOM 584 O MET A 41 2.668 -8.900 -15.964 1.00 64.31 O ATOM 585 CB MET A 41 4.263 -11.735 -15.348 1.00 30.31 C ATOM 586 CG MET A 41 5.522 -12.537 -15.063 1.00 51.51 C ATOM 587 SD MET A 41 6.954 -11.926 -15.973 1.00 2.33 S ATOM 588 CE MET A 41 6.702 -12.706 -17.565 1.00 73.33 C ATOM 0 H MET A 41 4.813 -10.926 -13.023 1.00 11.35 H new ATOM 0 HA MET A 41 5.025 -9.753 -15.677 1.00 55.31 H new ATOM 0 HB2 MET A 41 3.428 -12.180 -14.807 1.00 30.31 H new ATOM 0 HB3 MET A 41 4.029 -11.807 -16.410 1.00 30.31 H new ATOM 0 HG2 MET A 41 5.735 -12.505 -13.994 1.00 51.51 H new ATOM 0 HG3 MET A 41 5.350 -13.581 -15.323 1.00 51.51 H new ATOM 0 HE1 MET A 41 7.510 -12.424 -18.240 1.00 73.33 H new ATOM 0 HE2 MET A 41 6.693 -13.789 -17.442 1.00 73.33 H new ATOM 0 HE3 MET A 41 5.749 -12.381 -17.983 1.00 73.33 H new ATOM 598 N LEU A 42 2.203 -9.835 -13.971 1.00 41.41 N ATOM 599 CA LEU A 42 0.862 -9.265 -13.894 1.00 23.31 C ATOM 600 C LEU A 42 0.922 -7.759 -13.663 1.00 33.04 C ATOM 601 O LEU A 42 0.005 -7.025 -14.032 1.00 72.11 O ATOM 602 CB LEU A 42 0.066 -9.934 -12.772 1.00 13.43 C ATOM 603 CG LEU A 42 -0.615 -11.256 -13.127 1.00 20.15 C ATOM 604 CD1 LEU A 42 -1.683 -11.039 -14.186 1.00 52.34 C ATOM 605 CD2 LEU A 42 0.412 -12.274 -13.602 1.00 12.32 C ATOM 0 H LEU A 42 2.462 -10.414 -13.172 1.00 41.41 H new ATOM 0 HA LEU A 42 0.361 -9.447 -14.845 1.00 23.31 H new ATOM 0 HB2 LEU A 42 0.738 -10.109 -11.932 1.00 13.43 H new ATOM 0 HB3 LEU A 42 -0.698 -9.236 -12.430 1.00 13.43 H new ATOM 0 HG LEU A 42 -1.097 -11.647 -12.231 1.00 20.15 H new ATOM 0 HD11 LEU A 42 -2.157 -11.991 -14.426 1.00 52.34 H new ATOM 0 HD12 LEU A 42 -2.434 -10.345 -13.808 1.00 52.34 H new ATOM 0 HD13 LEU A 42 -1.226 -10.625 -15.085 1.00 52.34 H new ATOM 0 HD21 LEU A 42 -0.090 -13.209 -13.850 1.00 12.32 H new ATOM 0 HD22 LEU A 42 0.923 -11.891 -14.485 1.00 12.32 H new ATOM 0 HD23 LEU A 42 1.140 -12.452 -12.811 1.00 12.32 H new ATOM 617 N THR A 43 2.011 -7.302 -13.050 1.00 62.34 N ATOM 618 CA THR A 43 2.192 -5.884 -12.771 1.00 74.32 C ATOM 619 C THR A 43 3.059 -5.220 -13.834 1.00 60.12 C ATOM 620 O THR A 43 3.853 -4.330 -13.534 1.00 5.25 O ATOM 621 CB THR A 43 2.834 -5.661 -11.388 1.00 41.24 C ATOM 622 OG1 THR A 43 2.844 -4.264 -11.072 1.00 42.22 O ATOM 623 CG2 THR A 43 4.254 -6.203 -11.358 1.00 62.33 C ATOM 0 H THR A 43 2.780 -7.895 -12.738 1.00 62.34 H new ATOM 0 HA THR A 43 1.200 -5.431 -12.781 1.00 74.32 H new ATOM 0 HB THR A 43 2.242 -6.196 -10.646 1.00 41.24 H new ATOM 0 HG1 THR A 43 3.178 -3.757 -11.841 1.00 42.22 H new ATOM 0 HG21 THR A 43 4.687 -6.034 -10.372 1.00 62.33 H new ATOM 0 HG22 THR A 43 4.240 -7.272 -11.570 1.00 62.33 H new ATOM 0 HG23 THR A 43 4.855 -5.692 -12.110 1.00 62.33 H new ATOM 631 N ASN A 44 2.901 -5.659 -15.079 1.00 74.20 N ATOM 632 CA ASN A 44 3.671 -5.106 -16.187 1.00 63.33 C ATOM 633 C ASN A 44 3.384 -3.618 -16.360 1.00 41.14 C ATOM 634 O ASN A 44 2.251 -3.220 -16.633 1.00 44.15 O ATOM 635 CB ASN A 44 3.347 -5.854 -17.483 1.00 51.21 C ATOM 636 CG ASN A 44 4.488 -5.803 -18.480 1.00 43.14 C ATOM 637 OD1 ASN A 44 4.350 -5.246 -19.569 1.00 44.31 O ATOM 638 ND2 ASN A 44 5.623 -6.387 -18.112 1.00 34.20 N ATOM 0 H ASN A 44 2.247 -6.395 -15.345 1.00 74.20 H new ATOM 0 HA ASN A 44 4.730 -5.229 -15.959 1.00 63.33 H new ATOM 0 HB2 ASN A 44 3.117 -6.894 -17.251 1.00 51.21 H new ATOM 0 HB3 ASN A 44 2.454 -5.423 -17.935 1.00 51.21 H new ATOM 0 HD21 ASN A 44 6.425 -6.385 -18.742 1.00 34.20 H new ATOM 0 HD22 ASN A 44 5.692 -6.837 -17.199 1.00 34.20 H new ATOM 645 N LYS A 45 4.418 -2.800 -16.200 1.00 41.12 N ATOM 646 CA LYS A 45 4.279 -1.354 -16.341 1.00 25.33 C ATOM 647 C LYS A 45 4.307 -0.946 -17.810 1.00 75.32 C ATOM 648 O LYS A 45 4.910 -1.623 -18.642 1.00 11.00 O ATOM 649 CB LYS A 45 5.398 -0.638 -15.581 1.00 22.22 C ATOM 650 CG LYS A 45 5.142 -0.522 -14.088 1.00 32.30 C ATOM 651 CD LYS A 45 5.628 -1.753 -13.341 1.00 55.14 C ATOM 652 CE LYS A 45 7.132 -1.714 -13.121 1.00 72.51 C ATOM 653 NZ LYS A 45 7.518 -0.696 -12.105 1.00 52.30 N ATOM 0 H LYS A 45 5.362 -3.113 -15.973 1.00 41.12 H new ATOM 0 HA LYS A 45 3.317 -1.063 -15.919 1.00 25.33 H new ATOM 0 HB2 LYS A 45 6.334 -1.173 -15.740 1.00 22.22 H new ATOM 0 HB3 LYS A 45 5.527 0.361 -15.998 1.00 22.22 H new ATOM 0 HG2 LYS A 45 5.646 0.363 -13.699 1.00 32.30 H new ATOM 0 HG3 LYS A 45 4.075 -0.385 -13.910 1.00 32.30 H new ATOM 0 HD2 LYS A 45 5.120 -1.820 -12.379 1.00 55.14 H new ATOM 0 HD3 LYS A 45 5.365 -2.649 -13.904 1.00 55.14 H new ATOM 0 HE2 LYS A 45 7.478 -2.697 -12.800 1.00 72.51 H new ATOM 0 HE3 LYS A 45 7.631 -1.493 -14.064 1.00 72.51 H new ATOM 0 HZ1 LYS A 45 8.491 -0.877 -11.784 1.00 52.30 H new ATOM 0 HZ2 LYS A 45 7.463 0.253 -12.526 1.00 52.30 H new ATOM 0 HZ3 LYS A 45 6.870 -0.752 -11.294 1.00 52.30 H new ATOM 667 N ASP A 46 3.650 0.167 -18.121 1.00 63.24 N ATOM 668 CA ASP A 46 3.601 0.667 -19.490 1.00 11.52 C ATOM 669 C ASP A 46 3.475 2.188 -19.508 1.00 11.03 C ATOM 670 O ASP A 46 3.180 2.807 -18.487 1.00 33.10 O ATOM 671 CB ASP A 46 2.429 0.037 -20.245 1.00 32.11 C ATOM 672 CG ASP A 46 2.444 -1.477 -20.176 1.00 60.55 C ATOM 673 OD1 ASP A 46 1.701 -2.041 -19.344 1.00 4.40 O ATOM 674 OD2 ASP A 46 3.197 -2.099 -20.954 1.00 71.02 O ATOM 0 H ASP A 46 3.145 0.739 -17.444 1.00 63.24 H new ATOM 0 HA ASP A 46 4.532 0.391 -19.985 1.00 11.52 H new ATOM 0 HB2 ASP A 46 1.492 0.408 -19.830 1.00 32.11 H new ATOM 0 HB3 ASP A 46 2.462 0.351 -21.288 1.00 32.11 H new ATOM 680 N GLU A 47 3.702 2.781 -20.676 1.00 62.12 N ATOM 681 CA GLU A 47 3.616 4.229 -20.825 1.00 65.01 C ATOM 682 C GLU A 47 2.206 4.725 -20.515 1.00 22.04 C ATOM 683 O GLU A 47 2.028 5.733 -19.831 1.00 53.03 O ATOM 684 CB GLU A 47 4.013 4.642 -22.244 1.00 22.21 C ATOM 685 CG GLU A 47 3.197 3.958 -23.328 1.00 73.31 C ATOM 686 CD GLU A 47 4.020 3.630 -24.559 1.00 34.23 C ATOM 687 OE1 GLU A 47 3.879 4.345 -25.573 1.00 63.33 O ATOM 688 OE2 GLU A 47 4.804 2.659 -24.507 1.00 51.54 O ATOM 0 H GLU A 47 3.946 2.282 -21.531 1.00 62.12 H new ATOM 0 HA GLU A 47 4.307 4.684 -20.115 1.00 65.01 H new ATOM 0 HB2 GLU A 47 3.901 5.722 -22.344 1.00 22.21 H new ATOM 0 HB3 GLU A 47 5.068 4.415 -22.398 1.00 22.21 H new ATOM 0 HG2 GLU A 47 2.766 3.040 -22.928 1.00 73.31 H new ATOM 0 HG3 GLU A 47 2.365 4.603 -23.613 1.00 73.31 H new ATOM 696 N LYS A 48 1.209 4.009 -21.022 1.00 74.04 N ATOM 697 CA LYS A 48 -0.185 4.375 -20.799 1.00 65.12 C ATOM 698 C LYS A 48 -0.566 4.201 -19.333 1.00 20.53 C ATOM 699 O LYS A 48 -1.392 4.944 -18.804 1.00 11.53 O ATOM 700 CB LYS A 48 -1.103 3.523 -21.681 1.00 15.03 C ATOM 701 CG LYS A 48 -0.881 2.029 -21.525 1.00 21.12 C ATOM 702 CD LYS A 48 -0.023 1.473 -22.649 1.00 75.31 C ATOM 703 CE LYS A 48 -0.708 0.310 -23.350 1.00 35.12 C ATOM 704 NZ LYS A 48 -1.419 0.746 -24.584 1.00 12.51 N ATOM 0 H LYS A 48 1.340 3.172 -21.590 1.00 74.04 H new ATOM 0 HA LYS A 48 -0.307 5.425 -21.064 1.00 65.12 H new ATOM 0 HB2 LYS A 48 -2.141 3.755 -21.441 1.00 15.03 H new ATOM 0 HB3 LYS A 48 -0.948 3.798 -22.724 1.00 15.03 H new ATOM 0 HG2 LYS A 48 -0.401 1.830 -20.567 1.00 21.12 H new ATOM 0 HG3 LYS A 48 -1.843 1.517 -21.513 1.00 21.12 H new ATOM 0 HD2 LYS A 48 0.188 2.262 -23.371 1.00 75.31 H new ATOM 0 HD3 LYS A 48 0.936 1.144 -22.248 1.00 75.31 H new ATOM 0 HE2 LYS A 48 0.033 -0.447 -23.606 1.00 35.12 H new ATOM 0 HE3 LYS A 48 -1.418 -0.158 -22.668 1.00 35.12 H new ATOM 0 HZ1 LYS A 48 -1.872 -0.076 -25.032 1.00 12.51 H new ATOM 0 HZ2 LYS A 48 -2.144 1.449 -24.337 1.00 12.51 H new ATOM 0 HZ3 LYS A 48 -0.738 1.169 -25.246 1.00 12.51 H new ATOM 718 N VAL A 49 0.043 3.215 -18.681 1.00 42.30 N ATOM 719 CA VAL A 49 -0.230 2.946 -17.274 1.00 74.12 C ATOM 720 C VAL A 49 0.029 4.181 -16.419 1.00 30.45 C ATOM 721 O VAL A 49 -0.576 4.353 -15.359 1.00 41.41 O ATOM 722 CB VAL A 49 0.629 1.781 -16.749 1.00 73.52 C ATOM 723 CG1 VAL A 49 0.417 1.593 -15.255 1.00 31.43 C ATOM 724 CG2 VAL A 49 0.310 0.500 -17.506 1.00 52.14 C ATOM 0 H VAL A 49 0.728 2.590 -19.105 1.00 42.30 H new ATOM 0 HA VAL A 49 -1.283 2.672 -17.202 1.00 74.12 H new ATOM 0 HB VAL A 49 1.679 2.023 -16.916 1.00 73.52 H new ATOM 0 HG11 VAL A 49 1.032 0.765 -14.902 1.00 31.43 H new ATOM 0 HG12 VAL A 49 0.700 2.505 -14.730 1.00 31.43 H new ATOM 0 HG13 VAL A 49 -0.633 1.373 -15.061 1.00 31.43 H new ATOM 0 HG21 VAL A 49 0.926 -0.313 -17.122 1.00 52.14 H new ATOM 0 HG22 VAL A 49 -0.743 0.251 -17.373 1.00 52.14 H new ATOM 0 HG23 VAL A 49 0.518 0.643 -18.566 1.00 52.14 H new ATOM 734 N LEU A 50 0.931 5.038 -16.883 1.00 64.21 N ATOM 735 CA LEU A 50 1.271 6.258 -16.160 1.00 63.34 C ATOM 736 C LEU A 50 0.089 7.223 -16.135 1.00 22.11 C ATOM 737 O LEU A 50 0.012 8.106 -15.280 1.00 22.12 O ATOM 738 CB LEU A 50 2.483 6.935 -16.804 1.00 72.20 C ATOM 739 CG LEU A 50 3.711 6.050 -17.015 1.00 43.35 C ATOM 740 CD1 LEU A 50 4.699 6.724 -17.956 1.00 32.33 C ATOM 741 CD2 LEU A 50 4.374 5.730 -15.683 1.00 22.25 C ATOM 0 H LEU A 50 1.441 4.911 -17.757 1.00 64.21 H new ATOM 0 HA LEU A 50 1.517 5.986 -15.133 1.00 63.34 H new ATOM 0 HB2 LEU A 50 2.179 7.337 -17.771 1.00 72.20 H new ATOM 0 HB3 LEU A 50 2.773 7.783 -16.183 1.00 72.20 H new ATOM 0 HG LEU A 50 3.387 5.114 -17.470 1.00 43.35 H new ATOM 0 HD11 LEU A 50 5.567 6.080 -18.095 1.00 32.33 H new ATOM 0 HD12 LEU A 50 4.221 6.901 -18.919 1.00 32.33 H new ATOM 0 HD13 LEU A 50 5.018 7.675 -17.529 1.00 32.33 H new ATOM 0 HD21 LEU A 50 5.246 5.099 -15.853 1.00 22.25 H new ATOM 0 HD22 LEU A 50 4.685 6.656 -15.199 1.00 22.25 H new ATOM 0 HD23 LEU A 50 3.666 5.205 -15.041 1.00 22.25 H new ATOM 753 N LYS A 51 -0.832 7.047 -17.076 1.00 64.02 N ATOM 754 CA LYS A 51 -2.012 7.899 -17.161 1.00 24.43 C ATOM 755 C LYS A 51 -3.017 7.547 -16.068 1.00 42.21 C ATOM 756 O LYS A 51 -3.671 8.425 -15.508 1.00 54.14 O ATOM 757 CB LYS A 51 -2.669 7.759 -18.536 1.00 61.11 C ATOM 758 CG LYS A 51 -1.833 8.328 -19.671 1.00 31.52 C ATOM 759 CD LYS A 51 -2.703 8.994 -20.724 1.00 25.30 C ATOM 760 CE LYS A 51 -2.918 10.468 -20.420 1.00 32.25 C ATOM 761 NZ LYS A 51 -3.915 11.084 -21.337 1.00 33.51 N ATOM 0 H LYS A 51 -0.784 6.321 -17.791 1.00 64.02 H new ATOM 0 HA LYS A 51 -1.695 8.932 -17.020 1.00 24.43 H new ATOM 0 HB2 LYS A 51 -2.862 6.704 -18.731 1.00 61.11 H new ATOM 0 HB3 LYS A 51 -3.636 8.262 -18.520 1.00 61.11 H new ATOM 0 HG2 LYS A 51 -1.123 9.053 -19.273 1.00 31.52 H new ATOM 0 HG3 LYS A 51 -1.250 7.530 -20.131 1.00 31.52 H new ATOM 0 HD2 LYS A 51 -2.236 8.888 -21.703 1.00 25.30 H new ATOM 0 HD3 LYS A 51 -3.667 8.488 -20.774 1.00 25.30 H new ATOM 0 HE2 LYS A 51 -3.254 10.581 -19.389 1.00 32.25 H new ATOM 0 HE3 LYS A 51 -1.970 10.998 -20.506 1.00 32.25 H new ATOM 0 HZ1 LYS A 51 -4.033 12.089 -21.097 1.00 33.51 H new ATOM 0 HZ2 LYS A 51 -3.582 10.999 -22.319 1.00 33.51 H new ATOM 0 HZ3 LYS A 51 -4.827 10.595 -21.237 1.00 33.51 H new ATOM 775 N ALA A 52 -3.131 6.257 -15.770 1.00 30.51 N ATOM 776 CA ALA A 52 -4.053 5.790 -14.742 1.00 13.44 C ATOM 777 C ALA A 52 -3.681 6.354 -13.374 1.00 61.34 C ATOM 778 O ALA A 52 -4.547 6.789 -12.613 1.00 62.35 O ATOM 779 CB ALA A 52 -4.072 4.270 -14.701 1.00 23.11 C ATOM 0 H ALA A 52 -2.597 5.517 -16.226 1.00 30.51 H new ATOM 0 HA ALA A 52 -5.051 6.148 -14.994 1.00 13.44 H new ATOM 0 HB1 ALA A 52 -4.765 3.935 -13.929 1.00 23.11 H new ATOM 0 HB2 ALA A 52 -4.393 3.884 -15.668 1.00 23.11 H new ATOM 0 HB3 ALA A 52 -3.072 3.900 -14.476 1.00 23.11 H new ATOM 785 N LEU A 53 -2.389 6.342 -13.067 1.00 21.12 N ATOM 786 CA LEU A 53 -1.902 6.852 -11.789 1.00 41.30 C ATOM 787 C LEU A 53 -2.268 8.322 -11.614 1.00 55.12 C ATOM 788 O LEU A 53 -2.294 8.835 -10.496 1.00 55.23 O ATOM 789 CB LEU A 53 -0.386 6.677 -11.693 1.00 0.45 C ATOM 790 CG LEU A 53 0.134 5.244 -11.807 1.00 3.31 C ATOM 791 CD1 LEU A 53 1.654 5.228 -11.842 1.00 2.14 C ATOM 792 CD2 LEU A 53 -0.384 4.395 -10.654 1.00 43.34 C ATOM 0 H LEU A 53 -1.660 5.985 -13.684 1.00 21.12 H new ATOM 0 HA LEU A 53 -2.379 6.281 -10.992 1.00 41.30 H new ATOM 0 HB2 LEU A 53 0.079 7.274 -12.478 1.00 0.45 H new ATOM 0 HB3 LEU A 53 -0.053 7.088 -10.740 1.00 0.45 H new ATOM 0 HG LEU A 53 -0.234 4.818 -12.740 1.00 3.31 H new ATOM 0 HD11 LEU A 53 2.005 4.199 -11.923 1.00 2.14 H new ATOM 0 HD12 LEU A 53 2.004 5.800 -12.701 1.00 2.14 H new ATOM 0 HD13 LEU A 53 2.044 5.673 -10.927 1.00 2.14 H new ATOM 0 HD21 LEU A 53 -0.004 3.378 -10.751 1.00 43.34 H new ATOM 0 HD22 LEU A 53 -0.046 4.820 -9.709 1.00 43.34 H new ATOM 0 HD23 LEU A 53 -1.474 4.379 -10.675 1.00 43.34 H new ATOM 804 N GLU A 54 -2.553 8.992 -12.726 1.00 25.01 N ATOM 805 CA GLU A 54 -2.920 10.404 -12.695 1.00 32.34 C ATOM 806 C GLU A 54 -4.264 10.601 -11.999 1.00 64.31 C ATOM 807 O GLU A 54 -4.437 11.533 -11.213 1.00 64.24 O ATOM 808 CB GLU A 54 -2.979 10.970 -14.115 1.00 73.51 C ATOM 809 CG GLU A 54 -1.738 10.676 -14.940 1.00 0.42 C ATOM 810 CD GLU A 54 -0.458 11.064 -14.226 1.00 1.31 C ATOM 811 OE1 GLU A 54 -0.050 10.331 -13.300 1.00 1.22 O ATOM 812 OE2 GLU A 54 0.136 12.100 -14.591 1.00 54.33 O ATOM 0 H GLU A 54 -2.537 8.581 -13.659 1.00 25.01 H new ATOM 0 HA GLU A 54 -2.157 10.940 -12.131 1.00 32.34 H new ATOM 0 HB2 GLU A 54 -3.850 10.558 -14.625 1.00 73.51 H new ATOM 0 HB3 GLU A 54 -3.122 12.049 -14.061 1.00 73.51 H new ATOM 0 HG2 GLU A 54 -1.708 9.613 -15.179 1.00 0.42 H new ATOM 0 HG3 GLU A 54 -1.799 11.214 -15.886 1.00 0.42 H new ATOM 820 N ARG A 55 -5.212 9.717 -12.295 1.00 21.11 N ATOM 821 CA ARG A 55 -6.540 9.794 -11.700 1.00 10.23 C ATOM 822 C ARG A 55 -6.525 9.275 -10.265 1.00 11.12 C ATOM 823 O ARG A 55 -7.269 9.758 -9.410 1.00 0.21 O ATOM 824 CB ARG A 55 -7.543 8.993 -12.533 1.00 1.20 C ATOM 825 CG ARG A 55 -8.875 8.773 -11.836 1.00 12.41 C ATOM 826 CD ARG A 55 -9.500 10.089 -11.400 1.00 15.22 C ATOM 827 NE ARG A 55 -10.858 10.248 -11.914 1.00 5.44 N ATOM 828 CZ ARG A 55 -11.589 11.341 -11.732 1.00 75.12 C ATOM 829 NH1 ARG A 55 -11.096 12.367 -11.052 1.00 41.43 N ATOM 830 NH2 ARG A 55 -12.818 11.410 -12.230 1.00 2.54 N ATOM 0 H ARG A 55 -5.084 8.940 -12.943 1.00 21.11 H new ATOM 0 HA ARG A 55 -6.843 10.841 -11.686 1.00 10.23 H new ATOM 0 HB2 ARG A 55 -7.717 9.513 -13.475 1.00 1.20 H new ATOM 0 HB3 ARG A 55 -7.107 8.025 -12.779 1.00 1.20 H new ATOM 0 HG2 ARG A 55 -9.556 8.250 -12.507 1.00 12.41 H new ATOM 0 HG3 ARG A 55 -8.730 8.132 -10.966 1.00 12.41 H new ATOM 0 HD2 ARG A 55 -9.517 10.139 -10.311 1.00 15.22 H new ATOM 0 HD3 ARG A 55 -8.882 10.917 -11.748 1.00 15.22 H new ATOM 0 HE ARG A 55 -11.267 9.477 -12.442 1.00 5.44 H new ATOM 0 HH11 ARG A 55 -10.153 12.318 -10.667 1.00 41.43 H new ATOM 0 HH12 ARG A 55 -11.660 13.206 -10.914 1.00 41.43 H new ATOM 0 HH21 ARG A 55 -13.201 10.623 -12.753 1.00 2.54 H new ATOM 0 HH22 ARG A 55 -13.379 12.250 -12.089 1.00 2.54 H new ATOM 844 N THR A 56 -5.673 8.287 -10.007 1.00 40.14 N ATOM 845 CA THR A 56 -5.561 7.701 -8.678 1.00 75.21 C ATOM 846 C THR A 56 -4.828 8.637 -7.724 1.00 34.20 C ATOM 847 O THR A 56 -5.280 8.875 -6.603 1.00 61.14 O ATOM 848 CB THR A 56 -4.824 6.349 -8.720 1.00 61.25 C ATOM 849 OG1 THR A 56 -3.433 6.558 -8.985 1.00 23.33 O ATOM 850 CG2 THR A 56 -5.419 5.442 -9.787 1.00 34.02 C ATOM 0 H THR A 56 -5.050 7.876 -10.702 1.00 40.14 H new ATOM 0 HA THR A 56 -6.577 7.541 -8.317 1.00 75.21 H new ATOM 0 HB THR A 56 -4.940 5.866 -7.750 1.00 61.25 H new ATOM 0 HG1 THR A 56 -2.909 5.847 -8.560 1.00 23.33 H new ATOM 0 HG21 THR A 56 -4.883 4.493 -9.798 1.00 34.02 H new ATOM 0 HG22 THR A 56 -6.471 5.262 -9.566 1.00 34.02 H new ATOM 0 HG23 THR A 56 -5.330 5.921 -10.762 1.00 34.02 H new ATOM 858 N ARG A 57 -3.696 9.166 -8.176 1.00 34.41 N ATOM 859 CA ARG A 57 -2.901 10.076 -7.360 1.00 44.53 C ATOM 860 C ARG A 57 -3.747 11.246 -6.866 1.00 62.35 C ATOM 861 O ARG A 57 -3.473 11.821 -5.814 1.00 30.21 O ATOM 862 CB ARG A 57 -1.706 10.600 -8.161 1.00 72.21 C ATOM 863 CG ARG A 57 -2.091 11.588 -9.251 1.00 22.23 C ATOM 864 CD ARG A 57 -0.871 12.310 -9.803 1.00 73.13 C ATOM 865 NE ARG A 57 0.148 11.379 -10.278 1.00 64.31 N ATOM 866 CZ ARG A 57 1.380 11.745 -10.614 1.00 54.13 C ATOM 867 NH1 ARG A 57 1.743 13.017 -10.526 1.00 2.54 N ATOM 868 NH2 ARG A 57 2.251 10.838 -11.038 1.00 23.04 N ATOM 0 H ARG A 57 -3.309 8.981 -9.101 1.00 34.41 H new ATOM 0 HA ARG A 57 -2.537 9.523 -6.494 1.00 44.53 H new ATOM 0 HB2 ARG A 57 -1.004 11.079 -7.479 1.00 72.21 H new ATOM 0 HB3 ARG A 57 -1.185 9.757 -8.614 1.00 72.21 H new ATOM 0 HG2 ARG A 57 -2.600 11.061 -10.058 1.00 22.23 H new ATOM 0 HG3 ARG A 57 -2.797 12.316 -8.851 1.00 22.23 H new ATOM 0 HD2 ARG A 57 -1.176 12.962 -10.621 1.00 73.13 H new ATOM 0 HD3 ARG A 57 -0.446 12.948 -9.028 1.00 73.13 H new ATOM 0 HE ARG A 57 -0.100 10.393 -10.356 1.00 64.31 H new ATOM 0 HH11 ARG A 57 1.076 13.716 -10.200 1.00 2.54 H new ATOM 0 HH12 ARG A 57 2.689 13.296 -10.784 1.00 2.54 H new ATOM 0 HH21 ARG A 57 1.975 9.858 -11.106 1.00 23.04 H new ATOM 0 HH22 ARG A 57 3.197 11.120 -11.296 1.00 23.04 H new ATOM 882 N GLN A 58 -4.777 11.590 -7.634 1.00 4.44 N ATOM 883 CA GLN A 58 -5.662 12.692 -7.274 1.00 24.43 C ATOM 884 C GLN A 58 -6.390 12.399 -5.967 1.00 73.43 C ATOM 885 O GLN A 58 -6.557 13.282 -5.125 1.00 31.13 O ATOM 886 CB GLN A 58 -6.676 12.944 -8.391 1.00 42.40 C ATOM 887 CG GLN A 58 -6.104 13.720 -9.567 1.00 55.14 C ATOM 888 CD GLN A 58 -5.791 15.162 -9.217 1.00 41.33 C ATOM 889 OE1 GLN A 58 -4.599 15.397 -8.684 1.00 60.52 O flip ATOM 890 NE2 GLN A 58 -6.613 16.056 -9.424 1.00 21.04 N flip ATOM 0 H GLN A 58 -5.019 11.122 -8.508 1.00 4.44 H new ATOM 0 HA GLN A 58 -5.053 13.586 -7.137 1.00 24.43 H new ATOM 0 HB2 GLN A 58 -7.056 11.987 -8.748 1.00 42.40 H new ATOM 0 HB3 GLN A 58 -7.525 13.492 -7.983 1.00 42.40 H new ATOM 0 HG2 GLN A 58 -5.195 13.229 -9.914 1.00 55.14 H new ATOM 0 HG3 GLN A 58 -6.815 13.696 -10.393 1.00 55.14 H new ATOM 0 HE21 GLN A 58 -7.519 15.831 -9.836 1.00 21.04 H new ATOM 0 HE22 GLN A 58 -6.388 17.021 -9.183 1.00 21.04 H new ATOM 899 N LEU A 59 -6.826 11.154 -5.803 1.00 43.40 N ATOM 900 CA LEU A 59 -7.537 10.744 -4.598 1.00 73.10 C ATOM 901 C LEU A 59 -6.569 10.206 -3.549 1.00 53.33 C ATOM 902 O LEU A 59 -6.982 9.590 -2.567 1.00 51.13 O ATOM 903 CB LEU A 59 -8.583 9.680 -4.937 1.00 1.13 C ATOM 904 CG LEU A 59 -9.460 9.964 -6.157 1.00 2.23 C ATOM 905 CD1 LEU A 59 -9.398 8.806 -7.141 1.00 21.14 C ATOM 906 CD2 LEU A 59 -10.897 10.227 -5.731 1.00 51.41 C ATOM 0 H LEU A 59 -6.699 10.411 -6.490 1.00 43.40 H new ATOM 0 HA LEU A 59 -8.038 11.620 -4.186 1.00 73.10 H new ATOM 0 HB2 LEU A 59 -8.069 8.732 -5.097 1.00 1.13 H new ATOM 0 HB3 LEU A 59 -9.232 9.548 -4.071 1.00 1.13 H new ATOM 0 HG LEU A 59 -9.080 10.857 -6.654 1.00 2.23 H new ATOM 0 HD11 LEU A 59 -10.028 9.026 -8.002 1.00 21.14 H new ATOM 0 HD12 LEU A 59 -8.369 8.664 -7.471 1.00 21.14 H new ATOM 0 HD13 LEU A 59 -9.752 7.897 -6.656 1.00 21.14 H new ATOM 0 HD21 LEU A 59 -11.507 10.427 -6.612 1.00 51.41 H new ATOM 0 HD22 LEU A 59 -11.288 9.353 -5.210 1.00 51.41 H new ATOM 0 HD23 LEU A 59 -10.927 11.090 -5.065 1.00 51.41 H new ATOM 918 N ASP A 60 -5.280 10.446 -3.764 1.00 52.52 N ATOM 919 CA ASP A 60 -4.252 9.989 -2.836 1.00 75.24 C ATOM 920 C ASP A 60 -4.208 8.465 -2.781 1.00 53.04 C ATOM 921 O ASP A 60 -4.657 7.857 -1.810 1.00 31.25 O ATOM 922 CB ASP A 60 -4.510 10.555 -1.438 1.00 63.05 C ATOM 923 CG ASP A 60 -5.042 11.974 -1.477 1.00 13.23 C ATOM 924 OD1 ASP A 60 -4.286 12.881 -1.883 1.00 43.34 O ATOM 925 OD2 ASP A 60 -6.216 12.177 -1.102 1.00 1.24 O ATOM 0 H ASP A 60 -4.922 10.954 -4.573 1.00 52.52 H new ATOM 0 HA ASP A 60 -3.288 10.349 -3.194 1.00 75.24 H new ATOM 0 HB2 ASP A 60 -5.224 9.917 -0.917 1.00 63.05 H new ATOM 0 HB3 ASP A 60 -3.584 10.533 -0.864 1.00 63.05 H new ATOM 931 N ILE A 61 -3.666 7.856 -3.830 1.00 44.42 N ATOM 932 CA ILE A 61 -3.564 6.404 -3.901 1.00 71.20 C ATOM 933 C ILE A 61 -2.149 5.970 -4.270 1.00 1.25 C ATOM 934 O ILE A 61 -1.547 6.471 -5.220 1.00 11.14 O ATOM 935 CB ILE A 61 -4.552 5.820 -4.927 1.00 65.13 C ATOM 936 CG1 ILE A 61 -5.940 6.432 -4.738 1.00 74.23 C ATOM 937 CG2 ILE A 61 -4.613 4.305 -4.801 1.00 71.23 C ATOM 938 CD1 ILE A 61 -6.928 6.036 -5.812 1.00 45.03 C ATOM 0 H ILE A 61 -3.291 8.346 -4.642 1.00 44.42 H new ATOM 0 HA ILE A 61 -3.813 6.021 -2.911 1.00 71.20 H new ATOM 0 HB ILE A 61 -4.201 6.068 -5.929 1.00 65.13 H new ATOM 0 HG12 ILE A 61 -6.332 6.130 -3.767 1.00 74.23 H new ATOM 0 HG13 ILE A 61 -5.850 7.518 -4.722 1.00 74.23 H new ATOM 0 HG21 ILE A 61 -5.316 3.907 -5.533 1.00 71.23 H new ATOM 0 HG22 ILE A 61 -3.624 3.885 -4.982 1.00 71.23 H new ATOM 0 HG23 ILE A 61 -4.943 4.036 -3.798 1.00 71.23 H new ATOM 0 HD11 ILE A 61 -7.890 6.507 -5.613 1.00 45.03 H new ATOM 0 HD12 ILE A 61 -6.559 6.362 -6.784 1.00 45.03 H new ATOM 0 HD13 ILE A 61 -7.048 4.953 -5.814 1.00 45.03 H new ATOM 950 N PRO A 62 -1.604 5.015 -3.502 1.00 73.41 N ATOM 951 CA PRO A 62 -0.255 4.490 -3.729 1.00 52.21 C ATOM 952 C PRO A 62 -0.164 3.656 -5.002 1.00 32.43 C ATOM 953 O PRO A 62 -1.071 2.882 -5.314 1.00 12.44 O ATOM 954 CB PRO A 62 -0.001 3.617 -2.498 1.00 31.31 C ATOM 955 CG PRO A 62 -1.359 3.217 -2.032 1.00 31.43 C ATOM 956 CD PRO A 62 -2.265 4.373 -2.352 1.00 1.44 C ATOM 0 HA PRO A 62 0.476 5.288 -3.860 1.00 52.21 H new ATOM 0 HB2 PRO A 62 0.604 2.746 -2.748 1.00 31.31 H new ATOM 0 HB3 PRO A 62 0.537 4.168 -1.726 1.00 31.31 H new ATOM 0 HG2 PRO A 62 -1.692 2.309 -2.535 1.00 31.43 H new ATOM 0 HG3 PRO A 62 -1.358 3.007 -0.962 1.00 31.43 H new ATOM 0 HD2 PRO A 62 -3.271 4.038 -2.602 1.00 1.44 H new ATOM 0 HD3 PRO A 62 -2.358 5.057 -1.508 1.00 1.44 H new ATOM 964 N ASP A 63 0.934 3.815 -5.731 1.00 52.54 N ATOM 965 CA ASP A 63 1.143 3.075 -6.971 1.00 33.43 C ATOM 966 C ASP A 63 1.335 1.588 -6.689 1.00 22.22 C ATOM 967 O ASP A 63 1.337 0.769 -7.607 1.00 20.43 O ATOM 968 CB ASP A 63 2.358 3.626 -7.720 1.00 31.20 C ATOM 969 CG ASP A 63 2.303 5.132 -7.882 1.00 44.02 C ATOM 970 OD1 ASP A 63 3.379 5.765 -7.906 1.00 54.42 O ATOM 971 OD2 ASP A 63 1.185 5.676 -7.987 1.00 53.41 O ATOM 0 H ASP A 63 1.694 4.450 -5.486 1.00 52.54 H new ATOM 0 HA ASP A 63 0.256 3.198 -7.593 1.00 33.43 H new ATOM 0 HB2 ASP A 63 3.267 3.354 -7.183 1.00 31.20 H new ATOM 0 HB3 ASP A 63 2.417 3.159 -8.703 1.00 31.20 H new ATOM 977 N GLU A 64 1.498 1.248 -5.414 1.00 15.12 N ATOM 978 CA GLU A 64 1.692 -0.139 -5.012 1.00 64.41 C ATOM 979 C GLU A 64 0.377 -0.911 -5.067 1.00 61.45 C ATOM 980 O GLU A 64 0.355 -2.102 -5.381 1.00 1.01 O ATOM 981 CB GLU A 64 2.277 -0.209 -3.600 1.00 42.32 C ATOM 982 CG GLU A 64 3.456 0.726 -3.385 1.00 32.04 C ATOM 983 CD GLU A 64 4.337 0.295 -2.227 1.00 53.33 C ATOM 984 OE1 GLU A 64 4.003 -0.714 -1.572 1.00 22.01 O ATOM 985 OE2 GLU A 64 5.358 0.969 -1.975 1.00 23.42 O ATOM 0 H GLU A 64 1.499 1.915 -4.642 1.00 15.12 H new ATOM 0 HA GLU A 64 2.392 -0.597 -5.711 1.00 64.41 H new ATOM 0 HB2 GLU A 64 1.496 0.033 -2.879 1.00 42.32 H new ATOM 0 HB3 GLU A 64 2.593 -1.232 -3.397 1.00 42.32 H new ATOM 0 HG2 GLU A 64 4.053 0.767 -4.296 1.00 32.04 H new ATOM 0 HG3 GLU A 64 3.086 1.735 -3.200 1.00 32.04 H new ATOM 993 N LYS A 65 -0.719 -0.225 -4.760 1.00 5.24 N ATOM 994 CA LYS A 65 -2.039 -0.844 -4.774 1.00 50.03 C ATOM 995 C LYS A 65 -2.758 -0.561 -6.090 1.00 3.24 C ATOM 996 O LYS A 65 -3.558 -1.371 -6.559 1.00 34.10 O ATOM 997 CB LYS A 65 -2.878 -0.331 -3.602 1.00 4.12 C ATOM 998 CG LYS A 65 -3.506 1.029 -3.852 1.00 2.32 C ATOM 999 CD LYS A 65 -4.172 1.575 -2.601 1.00 35.20 C ATOM 1000 CE LYS A 65 -5.287 0.660 -2.118 1.00 51.01 C ATOM 1001 NZ LYS A 65 -4.863 -0.166 -0.954 1.00 52.22 N ATOM 0 H LYS A 65 -0.719 0.761 -4.498 1.00 5.24 H new ATOM 0 HA LYS A 65 -1.909 -1.922 -4.675 1.00 50.03 H new ATOM 0 HB2 LYS A 65 -3.667 -1.052 -3.388 1.00 4.12 H new ATOM 0 HB3 LYS A 65 -2.249 -0.273 -2.714 1.00 4.12 H new ATOM 0 HG2 LYS A 65 -2.741 1.727 -4.192 1.00 2.32 H new ATOM 0 HG3 LYS A 65 -4.242 0.949 -4.652 1.00 2.32 H new ATOM 0 HD2 LYS A 65 -3.428 1.691 -1.813 1.00 35.20 H new ATOM 0 HD3 LYS A 65 -4.577 2.566 -2.806 1.00 35.20 H new ATOM 0 HE2 LYS A 65 -6.154 1.260 -1.841 1.00 51.01 H new ATOM 0 HE3 LYS A 65 -5.599 0.006 -2.933 1.00 51.01 H new ATOM 0 HZ1 LYS A 65 -5.703 -0.497 -0.438 1.00 52.22 H new ATOM 0 HZ2 LYS A 65 -4.318 -0.986 -1.290 1.00 52.22 H new ATOM 0 HZ3 LYS A 65 -4.271 0.407 -0.319 1.00 52.22 H new ATOM 1015 N THR A 66 -2.466 0.592 -6.682 1.00 53.44 N ATOM 1016 CA THR A 66 -3.083 0.982 -7.943 1.00 55.24 C ATOM 1017 C THR A 66 -2.559 0.135 -9.097 1.00 74.42 C ATOM 1018 O THR A 66 -3.271 -0.114 -10.070 1.00 32.14 O ATOM 1019 CB THR A 66 -2.832 2.469 -8.257 1.00 74.32 C ATOM 1020 OG1 THR A 66 -3.332 3.286 -7.193 1.00 31.14 O ATOM 1021 CG2 THR A 66 -3.500 2.867 -9.565 1.00 32.41 C ATOM 0 H THR A 66 -1.805 1.273 -6.308 1.00 53.44 H new ATOM 0 HA THR A 66 -4.155 0.818 -7.833 1.00 55.24 H new ATOM 0 HB THR A 66 -1.757 2.619 -8.356 1.00 74.32 H new ATOM 0 HG1 THR A 66 -3.167 4.230 -7.400 1.00 31.14 H new ATOM 0 HG21 THR A 66 -3.309 3.921 -9.765 1.00 32.41 H new ATOM 0 HG22 THR A 66 -3.096 2.264 -10.378 1.00 32.41 H new ATOM 0 HG23 THR A 66 -4.575 2.701 -9.490 1.00 32.41 H new ATOM 1029 N MET A 67 -1.312 -0.305 -8.982 1.00 23.23 N ATOM 1030 CA MET A 67 -0.693 -1.128 -10.016 1.00 3.21 C ATOM 1031 C MET A 67 -1.591 -2.303 -10.385 1.00 71.43 C ATOM 1032 O MET A 67 -2.023 -2.450 -11.529 1.00 21.12 O ATOM 1033 CB MET A 67 0.669 -1.640 -9.543 1.00 41.45 C ATOM 1034 CG MET A 67 1.840 -0.834 -10.080 1.00 4.55 C ATOM 1035 SD MET A 67 2.284 -1.290 -11.767 1.00 4.02 S ATOM 1036 CE MET A 67 1.275 -0.145 -12.704 1.00 23.24 C ATOM 0 H MET A 67 -0.709 -0.106 -8.184 1.00 23.23 H new ATOM 0 HA MET A 67 -0.552 -0.509 -10.902 1.00 3.21 H new ATOM 0 HB2 MET A 67 0.696 -1.623 -8.453 1.00 41.45 H new ATOM 0 HB3 MET A 67 0.783 -2.680 -9.849 1.00 41.45 H new ATOM 0 HG2 MET A 67 1.590 0.227 -10.049 1.00 4.55 H new ATOM 0 HG3 MET A 67 2.703 -0.978 -9.430 1.00 4.55 H new ATOM 0 HE1 MET A 67 0.556 -0.702 -13.306 1.00 23.24 H new ATOM 0 HE2 MET A 67 0.741 0.514 -12.019 1.00 23.24 H new ATOM 0 HE3 MET A 67 1.912 0.450 -13.358 1.00 23.24 H new ATOM 1046 N PRO A 68 -1.881 -3.163 -9.397 1.00 2.25 N ATOM 1047 CA PRO A 68 -2.730 -4.341 -9.595 1.00 55.20 C ATOM 1048 C PRO A 68 -4.190 -3.969 -9.831 1.00 10.44 C ATOM 1049 O PRO A 68 -4.989 -4.797 -10.268 1.00 60.43 O ATOM 1050 CB PRO A 68 -2.580 -5.111 -8.281 1.00 13.25 C ATOM 1051 CG PRO A 68 -2.217 -4.075 -7.273 1.00 71.12 C ATOM 1052 CD PRO A 68 -1.399 -3.049 -8.009 1.00 70.54 C ATOM 0 HA PRO A 68 -2.436 -4.913 -10.475 1.00 55.20 H new ATOM 0 HB2 PRO A 68 -3.507 -5.618 -8.011 1.00 13.25 H new ATOM 0 HB3 PRO A 68 -1.808 -5.877 -8.357 1.00 13.25 H new ATOM 0 HG2 PRO A 68 -3.109 -3.624 -6.838 1.00 71.12 H new ATOM 0 HG3 PRO A 68 -1.648 -4.512 -6.452 1.00 71.12 H new ATOM 0 HD2 PRO A 68 -1.556 -2.047 -7.610 1.00 70.54 H new ATOM 0 HD3 PRO A 68 -0.332 -3.257 -7.935 1.00 70.54 H new ATOM 1060 N VAL A 69 -4.532 -2.718 -9.539 1.00 71.11 N ATOM 1061 CA VAL A 69 -5.896 -2.236 -9.721 1.00 22.52 C ATOM 1062 C VAL A 69 -6.167 -1.890 -11.180 1.00 65.23 C ATOM 1063 O VAL A 69 -7.086 -2.431 -11.798 1.00 51.14 O ATOM 1064 CB VAL A 69 -6.174 -0.996 -8.852 1.00 12.14 C ATOM 1065 CG1 VAL A 69 -7.436 -0.287 -9.320 1.00 2.24 C ATOM 1066 CG2 VAL A 69 -6.285 -1.387 -7.385 1.00 43.24 C ATOM 0 H VAL A 69 -3.883 -2.020 -9.175 1.00 71.11 H new ATOM 0 HA VAL A 69 -6.560 -3.044 -9.412 1.00 22.52 H new ATOM 0 HB VAL A 69 -5.338 -0.305 -8.958 1.00 12.14 H new ATOM 0 HG11 VAL A 69 -7.616 0.587 -8.694 1.00 2.24 H new ATOM 0 HG12 VAL A 69 -7.313 0.028 -10.356 1.00 2.24 H new ATOM 0 HG13 VAL A 69 -8.284 -0.967 -9.246 1.00 2.24 H new ATOM 0 HG21 VAL A 69 -6.482 -0.498 -6.785 1.00 43.24 H new ATOM 0 HG22 VAL A 69 -7.102 -2.098 -7.259 1.00 43.24 H new ATOM 0 HG23 VAL A 69 -5.351 -1.845 -7.059 1.00 43.24 H new ATOM 1076 N LEU A 70 -5.360 -0.989 -11.729 1.00 41.12 N ATOM 1077 CA LEU A 70 -5.511 -0.571 -13.118 1.00 50.43 C ATOM 1078 C LEU A 70 -5.386 -1.763 -14.062 1.00 53.21 C ATOM 1079 O LEU A 70 -6.175 -1.913 -14.995 1.00 31.01 O ATOM 1080 CB LEU A 70 -4.463 0.486 -13.471 1.00 24.42 C ATOM 1081 CG LEU A 70 -3.003 0.037 -13.383 1.00 54.22 C ATOM 1082 CD1 LEU A 70 -2.528 -0.500 -14.723 1.00 42.32 C ATOM 1083 CD2 LEU A 70 -2.119 1.188 -12.923 1.00 62.12 C ATOM 0 H LEU A 70 -4.594 -0.534 -11.233 1.00 41.12 H new ATOM 0 HA LEU A 70 -6.505 -0.140 -13.236 1.00 50.43 H new ATOM 0 HB2 LEU A 70 -4.655 0.835 -14.486 1.00 24.42 H new ATOM 0 HB3 LEU A 70 -4.600 1.341 -12.809 1.00 24.42 H new ATOM 0 HG LEU A 70 -2.933 -0.765 -12.649 1.00 54.22 H new ATOM 0 HD11 LEU A 70 -1.488 -0.814 -14.641 1.00 42.32 H new ATOM 0 HD12 LEU A 70 -3.143 -1.352 -15.012 1.00 42.32 H new ATOM 0 HD13 LEU A 70 -2.612 0.281 -15.479 1.00 42.32 H new ATOM 0 HD21 LEU A 70 -1.084 0.851 -12.866 1.00 62.12 H new ATOM 0 HD22 LEU A 70 -2.194 2.011 -13.634 1.00 62.12 H new ATOM 0 HD23 LEU A 70 -2.445 1.527 -11.940 1.00 62.12 H new ATOM 1095 N MET A 71 -4.392 -2.608 -13.812 1.00 33.24 N ATOM 1096 CA MET A 71 -4.167 -3.788 -14.637 1.00 64.40 C ATOM 1097 C MET A 71 -5.392 -4.698 -14.632 1.00 10.12 C ATOM 1098 O MET A 71 -5.622 -5.453 -15.576 1.00 62.12 O ATOM 1099 CB MET A 71 -2.944 -4.560 -14.139 1.00 2.13 C ATOM 1100 CG MET A 71 -1.703 -4.349 -14.992 1.00 42.43 C ATOM 1101 SD MET A 71 -1.907 -4.960 -16.677 1.00 74.22 S ATOM 1102 CE MET A 71 -1.954 -3.421 -17.592 1.00 1.01 C ATOM 0 H MET A 71 -3.729 -2.497 -13.044 1.00 33.24 H new ATOM 0 HA MET A 71 -3.987 -3.455 -15.659 1.00 64.40 H new ATOM 0 HB2 MET A 71 -2.726 -4.258 -13.115 1.00 2.13 H new ATOM 0 HB3 MET A 71 -3.181 -5.624 -14.114 1.00 2.13 H new ATOM 0 HG2 MET A 71 -1.463 -3.286 -15.021 1.00 42.43 H new ATOM 0 HG3 MET A 71 -0.857 -4.854 -14.526 1.00 42.43 H new ATOM 0 HE1 MET A 71 -2.615 -3.529 -18.452 1.00 1.01 H new ATOM 0 HE2 MET A 71 -2.326 -2.625 -16.947 1.00 1.01 H new ATOM 0 HE3 MET A 71 -0.950 -3.171 -17.935 1.00 1.01 H new ATOM 1112 N LYS A 72 -6.176 -4.621 -13.561 1.00 51.30 N ATOM 1113 CA LYS A 72 -7.379 -5.435 -13.432 1.00 5.33 C ATOM 1114 C LYS A 72 -8.421 -5.033 -14.471 1.00 34.22 C ATOM 1115 O LYS A 72 -9.218 -5.860 -14.917 1.00 60.43 O ATOM 1116 CB LYS A 72 -7.964 -5.297 -12.026 1.00 14.03 C ATOM 1117 CG LYS A 72 -9.025 -6.336 -11.704 1.00 52.43 C ATOM 1118 CD LYS A 72 -8.416 -7.713 -11.504 1.00 52.55 C ATOM 1119 CE LYS A 72 -7.697 -7.815 -10.168 1.00 62.31 C ATOM 1120 NZ LYS A 72 -8.644 -7.743 -9.021 1.00 41.15 N ATOM 0 H LYS A 72 -5.999 -4.002 -12.769 1.00 51.30 H new ATOM 0 HA LYS A 72 -7.104 -6.476 -13.603 1.00 5.33 H new ATOM 0 HB2 LYS A 72 -7.158 -5.375 -11.297 1.00 14.03 H new ATOM 0 HB3 LYS A 72 -8.397 -4.302 -11.917 1.00 14.03 H new ATOM 0 HG2 LYS A 72 -9.563 -6.041 -10.803 1.00 52.43 H new ATOM 0 HG3 LYS A 72 -9.755 -6.374 -12.513 1.00 52.43 H new ATOM 0 HD2 LYS A 72 -9.199 -8.469 -11.556 1.00 52.55 H new ATOM 0 HD3 LYS A 72 -7.716 -7.923 -12.312 1.00 52.55 H new ATOM 0 HE2 LYS A 72 -7.144 -8.753 -10.124 1.00 62.31 H new ATOM 0 HE3 LYS A 72 -6.966 -7.010 -10.087 1.00 62.31 H new ATOM 0 HZ1 LYS A 72 -8.177 -8.097 -8.162 1.00 41.15 H new ATOM 0 HZ2 LYS A 72 -8.937 -6.756 -8.874 1.00 41.15 H new ATOM 0 HZ3 LYS A 72 -9.481 -8.325 -9.225 1.00 41.15 H new ATOM 1134 N LEU A 73 -8.410 -3.761 -14.852 1.00 33.44 N ATOM 1135 CA LEU A 73 -9.355 -3.250 -15.839 1.00 12.31 C ATOM 1136 C LEU A 73 -8.972 -3.704 -17.244 1.00 54.21 C ATOM 1137 O LEU A 73 -9.830 -4.098 -18.036 1.00 51.21 O ATOM 1138 CB LEU A 73 -9.408 -1.722 -15.781 1.00 25.33 C ATOM 1139 CG LEU A 73 -9.227 -1.097 -14.397 1.00 73.03 C ATOM 1140 CD1 LEU A 73 -9.458 0.405 -14.456 1.00 75.12 C ATOM 1141 CD2 LEU A 73 -10.169 -1.745 -13.392 1.00 3.53 C ATOM 0 H LEU A 73 -7.757 -3.064 -14.493 1.00 33.44 H new ATOM 0 HA LEU A 73 -10.341 -3.650 -15.603 1.00 12.31 H new ATOM 0 HB2 LEU A 73 -8.636 -1.326 -16.440 1.00 25.33 H new ATOM 0 HB3 LEU A 73 -10.368 -1.396 -16.182 1.00 25.33 H new ATOM 0 HG LEU A 73 -8.202 -1.274 -14.070 1.00 73.03 H new ATOM 0 HD11 LEU A 73 -9.325 0.833 -13.462 1.00 75.12 H new ATOM 0 HD12 LEU A 73 -8.743 0.856 -15.144 1.00 75.12 H new ATOM 0 HD13 LEU A 73 -10.472 0.604 -14.804 1.00 75.12 H new ATOM 0 HD21 LEU A 73 -10.027 -1.288 -12.413 1.00 3.53 H new ATOM 0 HD22 LEU A 73 -11.200 -1.600 -13.714 1.00 3.53 H new ATOM 0 HD23 LEU A 73 -9.956 -2.812 -13.329 1.00 3.53 H new ATOM 1153 N LEU A 74 -7.680 -3.647 -17.546 1.00 64.25 N ATOM 1154 CA LEU A 74 -7.182 -4.055 -18.857 1.00 34.24 C ATOM 1155 C LEU A 74 -7.357 -5.556 -19.062 1.00 40.14 C ATOM 1156 O LEU A 74 -7.422 -6.033 -20.195 1.00 54.20 O ATOM 1157 CB LEU A 74 -5.707 -3.676 -19.004 1.00 71.51 C ATOM 1158 CG LEU A 74 -5.409 -2.184 -19.152 1.00 62.10 C ATOM 1159 CD1 LEU A 74 -6.244 -1.581 -20.271 1.00 13.22 C ATOM 1160 CD2 LEU A 74 -5.666 -1.456 -17.841 1.00 11.22 C ATOM 0 H LEU A 74 -6.958 -3.323 -16.903 1.00 64.25 H new ATOM 0 HA LEU A 74 -7.762 -3.533 -19.618 1.00 34.24 H new ATOM 0 HB2 LEU A 74 -5.168 -4.049 -18.133 1.00 71.51 H new ATOM 0 HB3 LEU A 74 -5.304 -4.195 -19.874 1.00 71.51 H new ATOM 0 HG LEU A 74 -4.356 -2.067 -19.409 1.00 62.10 H new ATOM 0 HD11 LEU A 74 -6.018 -0.518 -20.361 1.00 13.22 H new ATOM 0 HD12 LEU A 74 -6.011 -2.083 -21.210 1.00 13.22 H new ATOM 0 HD13 LEU A 74 -7.303 -1.709 -20.045 1.00 13.22 H new ATOM 0 HD21 LEU A 74 -5.449 -0.395 -17.965 1.00 11.22 H new ATOM 0 HD22 LEU A 74 -6.710 -1.581 -17.554 1.00 11.22 H new ATOM 0 HD23 LEU A 74 -5.024 -1.869 -17.063 1.00 11.22 H new ATOM 1172 N GLU A 75 -7.435 -6.294 -17.960 1.00 62.14 N ATOM 1173 CA GLU A 75 -7.603 -7.742 -18.021 1.00 53.33 C ATOM 1174 C GLU A 75 -8.889 -8.108 -18.756 1.00 34.33 C ATOM 1175 O GLU A 75 -8.869 -8.880 -19.714 1.00 74.13 O ATOM 1176 CB GLU A 75 -7.622 -8.335 -16.610 1.00 44.04 C ATOM 1177 CG GLU A 75 -6.237 -8.600 -16.044 1.00 40.32 C ATOM 1178 CD GLU A 75 -5.638 -9.898 -16.549 1.00 64.41 C ATOM 1179 OE1 GLU A 75 -6.400 -10.872 -16.728 1.00 52.14 O ATOM 1180 OE2 GLU A 75 -4.409 -9.941 -16.765 1.00 23.20 O ATOM 0 H GLU A 75 -7.385 -5.914 -17.015 1.00 62.14 H new ATOM 0 HA GLU A 75 -6.759 -8.158 -18.571 1.00 53.33 H new ATOM 0 HB2 GLU A 75 -8.153 -7.653 -15.945 1.00 44.04 H new ATOM 0 HB3 GLU A 75 -8.184 -9.269 -16.625 1.00 44.04 H new ATOM 0 HG2 GLU A 75 -5.577 -7.773 -16.307 1.00 40.32 H new ATOM 0 HG3 GLU A 75 -6.293 -8.629 -14.956 1.00 40.32 H new ATOM 1188 N GLU A 76 -10.006 -7.550 -18.298 1.00 72.51 N ATOM 1189 CA GLU A 76 -11.301 -7.821 -18.911 1.00 13.31 C ATOM 1190 C GLU A 76 -11.467 -7.029 -20.205 1.00 13.54 C ATOM 1191 O GLU A 76 -12.139 -7.473 -21.134 1.00 64.23 O ATOM 1192 CB GLU A 76 -12.432 -7.474 -17.939 1.00 51.45 C ATOM 1193 CG GLU A 76 -12.246 -8.066 -16.552 1.00 43.52 C ATOM 1194 CD GLU A 76 -12.335 -9.579 -16.547 1.00 0.13 C ATOM 1195 OE1 GLU A 76 -11.344 -10.230 -16.153 1.00 51.53 O ATOM 1196 OE2 GLU A 76 -13.394 -10.114 -16.937 1.00 52.40 O ATOM 0 H GLU A 76 -10.040 -6.909 -17.506 1.00 72.51 H new ATOM 0 HA GLU A 76 -11.347 -8.884 -19.148 1.00 13.31 H new ATOM 0 HB2 GLU A 76 -12.508 -6.390 -17.855 1.00 51.45 H new ATOM 0 HB3 GLU A 76 -13.376 -7.828 -18.352 1.00 51.45 H new ATOM 0 HG2 GLU A 76 -11.276 -7.762 -16.158 1.00 43.52 H new ATOM 0 HG3 GLU A 76 -13.004 -7.659 -15.883 1.00 43.52 H new ATOM 1204 N ALA A 77 -10.849 -5.853 -20.255 1.00 21.02 N ATOM 1205 CA ALA A 77 -10.926 -5.000 -21.435 1.00 14.44 C ATOM 1206 C ALA A 77 -9.892 -5.411 -22.477 1.00 54.23 C ATOM 1207 O ALA A 77 -9.755 -4.766 -23.516 1.00 1.12 O ATOM 1208 CB ALA A 77 -10.734 -3.542 -21.044 1.00 21.23 C ATOM 0 H ALA A 77 -10.290 -5.470 -19.493 1.00 21.02 H new ATOM 0 HA ALA A 77 -11.915 -5.119 -21.877 1.00 14.44 H new ATOM 0 HB1 ALA A 77 -10.794 -2.916 -21.934 1.00 21.23 H new ATOM 0 HB2 ALA A 77 -11.513 -3.248 -20.341 1.00 21.23 H new ATOM 0 HB3 ALA A 77 -9.757 -3.416 -20.577 1.00 21.23 H new ATOM 1214 N GLY A 78 -9.167 -6.489 -22.193 1.00 12.42 N ATOM 1215 CA GLY A 78 -8.154 -6.966 -23.116 1.00 52.43 C ATOM 1216 C GLY A 78 -7.150 -5.890 -23.482 1.00 71.25 C ATOM 1217 O GLY A 78 -6.518 -5.955 -24.536 1.00 24.11 O ATOM 0 H GLY A 78 -9.263 -7.040 -21.340 1.00 12.42 H new ATOM 0 HA2 GLY A 78 -7.630 -7.811 -22.670 1.00 52.43 H new ATOM 0 HA3 GLY A 78 -8.636 -7.332 -24.022 1.00 52.43 H new ATOM 1221 N GLY A 79 -7.005 -4.897 -22.611 1.00 2.11 N ATOM 1222 CA GLY A 79 -6.071 -3.816 -22.867 1.00 43.34 C ATOM 1223 C GLY A 79 -6.708 -2.667 -23.622 1.00 44.14 C ATOM 1224 O GLY A 79 -6.083 -2.068 -24.497 1.00 30.31 O ATOM 0 H GLY A 79 -7.518 -4.821 -21.732 1.00 2.11 H new ATOM 0 HA2 GLY A 79 -5.676 -3.450 -21.920 1.00 43.34 H new ATOM 0 HA3 GLY A 79 -5.225 -4.198 -23.439 1.00 43.34 H new ATOM 1228 N ASN A 80 -7.955 -2.358 -23.286 1.00 71.45 N ATOM 1229 CA ASN A 80 -8.678 -1.273 -23.941 1.00 31.53 C ATOM 1230 C ASN A 80 -9.000 -0.159 -22.951 1.00 62.22 C ATOM 1231 O ASN A 80 -9.908 -0.287 -22.130 1.00 13.41 O ATOM 1232 CB ASN A 80 -9.970 -1.800 -24.571 1.00 20.34 C ATOM 1233 CG ASN A 80 -10.301 -1.107 -25.878 1.00 50.10 C ATOM 1234 OD1 ASN A 80 -10.497 0.204 -25.819 1.00 52.21 O flip ATOM 1235 ND2 ASN A 80 -10.378 -1.744 -26.929 1.00 13.12 N flip ATOM 0 H ASN A 80 -8.487 -2.843 -22.564 1.00 71.45 H new ATOM 0 HA ASN A 80 -8.039 -0.865 -24.725 1.00 31.53 H new ATOM 0 HB2 ASN A 80 -9.875 -2.872 -24.745 1.00 20.34 H new ATOM 0 HB3 ASN A 80 -10.794 -1.663 -23.871 1.00 20.34 H new ATOM 0 HD21 ASN A 80 -10.219 -2.752 -26.927 1.00 13.12 H new ATOM 0 HD22 ASN A 80 -10.600 -1.264 -27.801 1.00 13.12 H new ATOM 1242 N TRP A 81 -8.250 0.934 -23.035 1.00 43.53 N ATOM 1243 CA TRP A 81 -8.457 2.072 -22.147 1.00 4.33 C ATOM 1244 C TRP A 81 -9.631 2.923 -22.615 1.00 60.34 C ATOM 1245 O TRP A 81 -10.227 3.662 -21.831 1.00 1.23 O ATOM 1246 CB TRP A 81 -7.189 2.926 -22.076 1.00 61.12 C ATOM 1247 CG TRP A 81 -5.995 2.177 -21.567 1.00 23.31 C ATOM 1248 CD1 TRP A 81 -5.193 1.332 -22.279 1.00 63.11 C ATOM 1249 CD2 TRP A 81 -5.471 2.202 -20.235 1.00 32.12 C ATOM 1250 NE1 TRP A 81 -4.201 0.831 -21.470 1.00 11.21 N ATOM 1251 CE2 TRP A 81 -4.350 1.350 -20.212 1.00 14.55 C ATOM 1252 CE3 TRP A 81 -5.838 2.865 -19.060 1.00 33.52 C ATOM 1253 CZ2 TRP A 81 -3.596 1.144 -19.059 1.00 71.22 C ATOM 1254 CZ3 TRP A 81 -5.090 2.658 -17.917 1.00 30.11 C ATOM 1255 CH2 TRP A 81 -3.979 1.804 -17.923 1.00 3.20 C ATOM 0 H TRP A 81 -7.494 1.056 -23.708 1.00 43.53 H new ATOM 0 HA TRP A 81 -8.686 1.688 -21.153 1.00 4.33 H new ATOM 0 HB2 TRP A 81 -6.967 3.317 -23.069 1.00 61.12 H new ATOM 0 HB3 TRP A 81 -7.373 3.784 -21.429 1.00 61.12 H new ATOM 0 HD1 TRP A 81 -5.319 1.092 -23.324 1.00 63.11 H new ATOM 0 HE1 TRP A 81 -3.472 0.179 -21.760 1.00 11.21 H new ATOM 0 HE3 TRP A 81 -6.691 3.527 -19.046 1.00 33.52 H new ATOM 0 HZ2 TRP A 81 -2.739 0.486 -19.061 1.00 71.22 H new ATOM 0 HZ3 TRP A 81 -5.366 3.163 -17.003 1.00 30.11 H new ATOM 0 HH2 TRP A 81 -3.414 1.664 -17.013 1.00 3.20 H new ATOM 1266 N SER A 82 -9.961 2.814 -23.898 1.00 42.22 N ATOM 1267 CA SER A 82 -11.063 3.577 -24.472 1.00 61.35 C ATOM 1268 C SER A 82 -12.333 3.403 -23.644 1.00 21.30 C ATOM 1269 O SER A 82 -12.961 4.381 -23.237 1.00 23.04 O ATOM 1270 CB SER A 82 -11.319 3.138 -25.915 1.00 25.05 C ATOM 1271 OG SER A 82 -12.052 4.121 -26.625 1.00 30.20 O ATOM 0 H SER A 82 -9.481 2.204 -24.560 1.00 42.22 H new ATOM 0 HA SER A 82 -10.785 4.631 -24.464 1.00 61.35 H new ATOM 0 HB2 SER A 82 -10.369 2.956 -26.417 1.00 25.05 H new ATOM 0 HB3 SER A 82 -11.868 2.196 -25.920 1.00 25.05 H new ATOM 0 HG SER A 82 -12.201 3.817 -27.545 1.00 30.20 H new ATOM 1277 N TYR A 83 -12.704 2.152 -23.398 1.00 63.30 N ATOM 1278 CA TYR A 83 -13.900 1.848 -22.620 1.00 2.01 C ATOM 1279 C TYR A 83 -13.644 2.043 -21.129 1.00 72.00 C ATOM 1280 O TYR A 83 -14.485 2.583 -20.409 1.00 43.21 O ATOM 1281 CB TYR A 83 -14.357 0.413 -22.888 1.00 3.15 C ATOM 1282 CG TYR A 83 -15.225 -0.161 -21.790 1.00 62.21 C ATOM 1283 CD1 TYR A 83 -16.606 -0.017 -21.826 1.00 34.34 C ATOM 1284 CD2 TYR A 83 -14.664 -0.844 -20.719 1.00 63.32 C ATOM 1285 CE1 TYR A 83 -17.404 -0.539 -20.825 1.00 3.12 C ATOM 1286 CE2 TYR A 83 -15.453 -1.371 -19.715 1.00 62.04 C ATOM 1287 CZ TYR A 83 -16.823 -1.215 -19.772 1.00 42.24 C ATOM 1288 OH TYR A 83 -17.613 -1.736 -18.773 1.00 61.42 O ATOM 0 H TYR A 83 -12.194 1.332 -23.726 1.00 63.30 H new ATOM 0 HA TYR A 83 -14.688 2.536 -22.927 1.00 2.01 H new ATOM 0 HB2 TYR A 83 -14.909 0.386 -23.828 1.00 3.15 H new ATOM 0 HB3 TYR A 83 -13.480 -0.221 -23.015 1.00 3.15 H new ATOM 0 HD1 TYR A 83 -17.064 0.511 -22.649 1.00 34.34 H new ATOM 0 HD2 TYR A 83 -13.592 -0.965 -20.670 1.00 63.32 H new ATOM 0 HE1 TYR A 83 -18.476 -0.418 -20.867 1.00 3.12 H new ATOM 0 HE2 TYR A 83 -15.000 -1.902 -18.890 1.00 62.04 H new ATOM 0 HH TYR A 83 -17.048 -2.182 -18.108 1.00 61.42 H new ATOM 1298 N ILE A 84 -12.477 1.600 -20.673 1.00 51.22 N ATOM 1299 CA ILE A 84 -12.108 1.727 -19.269 1.00 74.43 C ATOM 1300 C ILE A 84 -12.106 3.188 -18.831 1.00 3.12 C ATOM 1301 O ILE A 84 -12.300 3.496 -17.655 1.00 31.15 O ATOM 1302 CB ILE A 84 -10.722 1.118 -18.993 1.00 63.22 C ATOM 1303 CG1 ILE A 84 -10.745 -0.392 -19.242 1.00 51.32 C ATOM 1304 CG2 ILE A 84 -10.285 1.418 -17.567 1.00 73.33 C ATOM 1305 CD1 ILE A 84 -9.373 -1.029 -19.225 1.00 51.53 C ATOM 0 H ILE A 84 -11.771 1.150 -21.256 1.00 51.22 H new ATOM 0 HA ILE A 84 -12.856 1.179 -18.696 1.00 74.43 H new ATOM 0 HB ILE A 84 -10.002 1.569 -19.675 1.00 63.22 H new ATOM 0 HG12 ILE A 84 -11.367 -0.868 -18.483 1.00 51.32 H new ATOM 0 HG13 ILE A 84 -11.215 -0.586 -20.206 1.00 51.32 H new ATOM 0 HG21 ILE A 84 -9.303 0.980 -17.388 1.00 73.33 H new ATOM 0 HG22 ILE A 84 -10.234 2.497 -17.422 1.00 73.33 H new ATOM 0 HG23 ILE A 84 -11.005 0.992 -16.868 1.00 73.33 H new ATOM 0 HD11 ILE A 84 -9.467 -2.099 -19.408 1.00 51.53 H new ATOM 0 HD12 ILE A 84 -8.754 -0.581 -20.002 1.00 51.53 H new ATOM 0 HD13 ILE A 84 -8.909 -0.867 -18.252 1.00 51.53 H new ATOM 1317 N LYS A 85 -11.886 4.086 -19.786 1.00 70.41 N ATOM 1318 CA LYS A 85 -11.862 5.515 -19.501 1.00 42.51 C ATOM 1319 C LYS A 85 -13.215 6.153 -19.798 1.00 13.11 C ATOM 1320 O LYS A 85 -13.358 7.376 -19.761 1.00 65.24 O ATOM 1321 CB LYS A 85 -10.771 6.201 -20.327 1.00 44.53 C ATOM 1322 CG LYS A 85 -11.257 6.710 -21.674 1.00 25.24 C ATOM 1323 CD LYS A 85 -10.162 6.636 -22.725 1.00 71.22 C ATOM 1324 CE LYS A 85 -8.875 7.282 -22.237 1.00 33.03 C ATOM 1325 NZ LYS A 85 -8.261 8.152 -23.278 1.00 10.10 N ATOM 0 H LYS A 85 -11.722 3.848 -20.764 1.00 70.41 H new ATOM 0 HA LYS A 85 -11.644 5.645 -18.441 1.00 42.51 H new ATOM 0 HB2 LYS A 85 -10.367 7.037 -19.756 1.00 44.53 H new ATOM 0 HB3 LYS A 85 -9.953 5.499 -20.487 1.00 44.53 H new ATOM 0 HG2 LYS A 85 -12.115 6.121 -21.999 1.00 25.24 H new ATOM 0 HG3 LYS A 85 -11.597 7.741 -21.574 1.00 25.24 H new ATOM 0 HD2 LYS A 85 -9.972 5.594 -22.981 1.00 71.22 H new ATOM 0 HD3 LYS A 85 -10.497 7.132 -23.636 1.00 71.22 H new ATOM 0 HE2 LYS A 85 -9.081 7.874 -21.345 1.00 33.03 H new ATOM 0 HE3 LYS A 85 -8.166 6.506 -21.948 1.00 33.03 H new ATOM 0 HZ1 LYS A 85 -7.386 8.574 -22.906 1.00 10.10 H new ATOM 0 HZ2 LYS A 85 -8.041 7.583 -24.120 1.00 10.10 H new ATOM 0 HZ3 LYS A 85 -8.927 8.908 -23.536 1.00 10.10 H new ATOM 1339 N LEU A 86 -14.205 5.318 -20.090 1.00 73.23 N ATOM 1340 CA LEU A 86 -15.549 5.800 -20.392 1.00 74.22 C ATOM 1341 C LEU A 86 -16.148 6.528 -19.192 1.00 1.52 C ATOM 1342 O LEU A 86 -17.118 7.274 -19.327 1.00 41.51 O ATOM 1343 CB LEU A 86 -16.452 4.634 -20.798 1.00 13.45 C ATOM 1344 CG LEU A 86 -17.837 5.010 -21.327 1.00 23.34 C ATOM 1345 CD1 LEU A 86 -18.242 4.087 -22.465 1.00 25.14 C ATOM 1346 CD2 LEU A 86 -18.867 4.962 -20.207 1.00 22.30 C ATOM 0 H LEU A 86 -14.103 4.304 -20.124 1.00 73.23 H new ATOM 0 HA LEU A 86 -15.478 6.502 -21.223 1.00 74.22 H new ATOM 0 HB2 LEU A 86 -15.938 4.052 -21.563 1.00 13.45 H new ATOM 0 HB3 LEU A 86 -16.580 3.982 -19.934 1.00 13.45 H new ATOM 0 HG LEU A 86 -17.794 6.029 -21.711 1.00 23.34 H new ATOM 0 HD11 LEU A 86 -19.230 4.370 -22.829 1.00 25.14 H new ATOM 0 HD12 LEU A 86 -17.519 4.171 -23.276 1.00 25.14 H new ATOM 0 HD13 LEU A 86 -18.268 3.058 -22.107 1.00 25.14 H new ATOM 0 HD21 LEU A 86 -19.846 5.232 -20.602 1.00 22.30 H new ATOM 0 HD22 LEU A 86 -18.908 3.954 -19.793 1.00 22.30 H new ATOM 0 HD23 LEU A 86 -18.585 5.665 -19.423 1.00 22.30 H new ATOM 1358 N ASP A 87 -15.563 6.308 -18.020 1.00 1.50 N ATOM 1359 CA ASP A 87 -16.036 6.946 -16.797 1.00 62.21 C ATOM 1360 C ASP A 87 -14.868 7.492 -15.982 1.00 10.45 C ATOM 1361 O ASP A 87 -14.956 7.620 -14.762 1.00 31.40 O ATOM 1362 CB ASP A 87 -16.840 5.953 -15.957 1.00 60.41 C ATOM 1363 CG ASP A 87 -17.759 5.091 -16.802 1.00 11.45 C ATOM 1364 OD1 ASP A 87 -18.910 5.513 -17.045 1.00 25.10 O ATOM 1365 OD2 ASP A 87 -17.327 3.997 -17.220 1.00 13.25 O ATOM 0 H ASP A 87 -14.760 5.692 -17.891 1.00 1.50 H new ATOM 0 HA ASP A 87 -16.681 7.779 -17.077 1.00 62.21 H new ATOM 0 HB2 ASP A 87 -16.155 5.313 -15.402 1.00 60.41 H new ATOM 0 HB3 ASP A 87 -17.432 6.499 -15.222 1.00 60.41 H new ATOM 1371 N ASN A 88 -13.774 7.812 -16.666 1.00 21.14 N ATOM 1372 CA ASN A 88 -12.587 8.342 -16.004 1.00 5.22 C ATOM 1373 C ASN A 88 -11.950 7.290 -15.102 1.00 33.52 C ATOM 1374 O ASN A 88 -11.492 7.596 -14.001 1.00 74.03 O ATOM 1375 CB ASN A 88 -12.946 9.583 -15.185 1.00 53.23 C ATOM 1376 CG ASN A 88 -11.849 10.630 -15.210 1.00 53.34 C ATOM 1377 OD1 ASN A 88 -12.080 11.779 -15.588 1.00 72.34 O ATOM 1378 ND2 ASN A 88 -10.647 10.237 -14.808 1.00 32.25 N ATOM 0 H ASN A 88 -13.685 7.714 -17.677 1.00 21.14 H new ATOM 0 HA ASN A 88 -11.866 8.618 -16.773 1.00 5.22 H new ATOM 0 HB2 ASN A 88 -13.867 10.017 -15.573 1.00 53.23 H new ATOM 0 HB3 ASN A 88 -13.141 9.290 -14.153 1.00 53.23 H new ATOM 0 HD21 ASN A 88 -9.869 10.897 -14.804 1.00 32.25 H new ATOM 0 HD22 ASN A 88 -10.501 9.275 -14.503 1.00 32.25 H new ATOM 1385 N TYR A 89 -11.926 6.049 -15.576 1.00 2.14 N ATOM 1386 CA TYR A 89 -11.347 4.950 -14.811 1.00 71.21 C ATOM 1387 C TYR A 89 -12.092 4.751 -13.494 1.00 52.53 C ATOM 1388 O TYR A 89 -11.484 4.500 -12.454 1.00 11.10 O ATOM 1389 CB TYR A 89 -9.866 5.216 -14.536 1.00 63.33 C ATOM 1390 CG TYR A 89 -9.054 5.467 -15.787 1.00 74.11 C ATOM 1391 CD1 TYR A 89 -9.376 4.842 -16.985 1.00 52.05 C ATOM 1392 CD2 TYR A 89 -7.966 6.331 -15.770 1.00 24.23 C ATOM 1393 CE1 TYR A 89 -8.637 5.068 -18.130 1.00 0.35 C ATOM 1394 CE2 TYR A 89 -7.221 6.564 -16.910 1.00 31.30 C ATOM 1395 CZ TYR A 89 -7.561 5.930 -18.087 1.00 45.32 C ATOM 1396 OH TYR A 89 -6.822 6.159 -19.225 1.00 61.13 O ATOM 0 H TYR A 89 -12.300 5.779 -16.486 1.00 2.14 H new ATOM 0 HA TYR A 89 -11.442 4.040 -15.403 1.00 71.21 H new ATOM 0 HB2 TYR A 89 -9.777 6.079 -13.876 1.00 63.33 H new ATOM 0 HB3 TYR A 89 -9.445 4.363 -14.004 1.00 63.33 H new ATOM 0 HD1 TYR A 89 -10.219 4.168 -17.022 1.00 52.05 H new ATOM 0 HD2 TYR A 89 -7.698 6.829 -14.850 1.00 24.23 H new ATOM 0 HE1 TYR A 89 -8.900 4.573 -19.053 1.00 0.35 H new ATOM 0 HE2 TYR A 89 -6.378 7.238 -16.880 1.00 31.30 H new ATOM 0 HH TYR A 89 -6.285 5.366 -19.431 1.00 61.13 H new ATOM 1406 N THR A 90 -13.416 4.865 -13.548 1.00 42.03 N ATOM 1407 CA THR A 90 -14.247 4.698 -12.362 1.00 3.33 C ATOM 1408 C THR A 90 -13.921 3.395 -11.641 1.00 65.02 C ATOM 1409 O THR A 90 -14.003 3.315 -10.416 1.00 60.23 O ATOM 1410 CB THR A 90 -15.745 4.714 -12.718 1.00 33.25 C ATOM 1411 OG1 THR A 90 -16.132 6.023 -13.152 1.00 22.21 O ATOM 1412 CG2 THR A 90 -16.589 4.301 -11.522 1.00 32.14 C ATOM 0 H THR A 90 -13.936 5.072 -14.401 1.00 42.03 H new ATOM 0 HA THR A 90 -14.029 5.539 -11.703 1.00 3.33 H new ATOM 0 HB THR A 90 -15.912 4.000 -13.525 1.00 33.25 H new ATOM 0 HG1 THR A 90 -15.398 6.431 -13.657 1.00 22.21 H new ATOM 0 HG21 THR A 90 -17.644 4.320 -11.797 1.00 32.14 H new ATOM 0 HG22 THR A 90 -16.313 3.293 -11.212 1.00 32.14 H new ATOM 0 HG23 THR A 90 -16.417 4.994 -10.698 1.00 32.14 H new ATOM 1420 N ALA A 91 -13.549 2.377 -12.409 1.00 62.11 N ATOM 1421 CA ALA A 91 -13.207 1.077 -11.843 1.00 53.12 C ATOM 1422 C ALA A 91 -12.176 1.218 -10.728 1.00 72.11 C ATOM 1423 O ALA A 91 -12.214 0.486 -9.739 1.00 33.41 O ATOM 1424 CB ALA A 91 -12.688 0.148 -12.930 1.00 71.21 C ATOM 0 H ALA A 91 -13.477 2.427 -13.425 1.00 62.11 H new ATOM 0 HA ALA A 91 -14.111 0.646 -11.414 1.00 53.12 H new ATOM 0 HB1 ALA A 91 -12.437 -0.818 -12.493 1.00 71.21 H new ATOM 0 HB2 ALA A 91 -13.457 0.013 -13.691 1.00 71.21 H new ATOM 0 HB3 ALA A 91 -11.798 0.583 -13.386 1.00 71.21 H new ATOM 1430 N LEU A 92 -11.257 2.162 -10.895 1.00 44.32 N ATOM 1431 CA LEU A 92 -10.214 2.398 -9.902 1.00 54.14 C ATOM 1432 C LEU A 92 -10.805 2.972 -8.618 1.00 50.12 C ATOM 1433 O LEU A 92 -10.335 2.675 -7.520 1.00 52.45 O ATOM 1434 CB LEU A 92 -9.158 3.352 -10.462 1.00 3.13 C ATOM 1435 CG LEU A 92 -9.478 4.844 -10.360 1.00 1.11 C ATOM 1436 CD1 LEU A 92 -8.983 5.407 -9.037 1.00 51.20 C ATOM 1437 CD2 LEU A 92 -8.864 5.601 -11.528 1.00 54.21 C ATOM 0 H LEU A 92 -11.212 2.776 -11.708 1.00 44.32 H new ATOM 0 HA LEU A 92 -9.745 1.442 -9.668 1.00 54.14 H new ATOM 0 HB2 LEU A 92 -8.218 3.166 -9.943 1.00 3.13 H new ATOM 0 HB3 LEU A 92 -8.996 3.107 -11.512 1.00 3.13 H new ATOM 0 HG LEU A 92 -10.560 4.968 -10.401 1.00 1.11 H new ATOM 0 HD11 LEU A 92 -9.220 6.470 -8.982 1.00 51.20 H new ATOM 0 HD12 LEU A 92 -9.470 4.884 -8.214 1.00 51.20 H new ATOM 0 HD13 LEU A 92 -7.904 5.271 -8.965 1.00 51.20 H new ATOM 0 HD21 LEU A 92 -9.102 6.661 -11.440 1.00 54.21 H new ATOM 0 HD22 LEU A 92 -7.782 5.469 -11.518 1.00 54.21 H new ATOM 0 HD23 LEU A 92 -9.268 5.215 -12.464 1.00 54.21 H new ATOM 1449 N VAL A 93 -11.840 3.793 -8.765 1.00 11.31 N ATOM 1450 CA VAL A 93 -12.498 4.406 -7.617 1.00 34.05 C ATOM 1451 C VAL A 93 -13.127 3.350 -6.715 1.00 31.15 C ATOM 1452 O VAL A 93 -12.924 3.355 -5.501 1.00 22.54 O ATOM 1453 CB VAL A 93 -13.586 5.401 -8.059 1.00 12.31 C ATOM 1454 CG1 VAL A 93 -14.475 5.779 -6.883 1.00 72.42 C ATOM 1455 CG2 VAL A 93 -12.955 6.639 -8.679 1.00 54.15 C ATOM 0 H VAL A 93 -12.241 4.049 -9.667 1.00 11.31 H new ATOM 0 HA VAL A 93 -11.729 4.943 -7.061 1.00 34.05 H new ATOM 0 HB VAL A 93 -14.208 4.920 -8.814 1.00 12.31 H new ATOM 0 HG11 VAL A 93 -15.238 6.483 -7.215 1.00 72.42 H new ATOM 0 HG12 VAL A 93 -14.955 4.884 -6.487 1.00 72.42 H new ATOM 0 HG13 VAL A 93 -13.870 6.241 -6.103 1.00 72.42 H new ATOM 0 HG21 VAL A 93 -13.739 7.332 -8.986 1.00 54.15 H new ATOM 0 HG22 VAL A 93 -12.309 7.123 -7.947 1.00 54.15 H new ATOM 0 HG23 VAL A 93 -12.365 6.350 -9.549 1.00 54.15 H new ATOM 1465 N ASP A 94 -13.891 2.444 -7.317 1.00 5.43 N ATOM 1466 CA ASP A 94 -14.548 1.380 -6.569 1.00 61.23 C ATOM 1467 C ASP A 94 -13.545 0.311 -6.148 1.00 13.41 C ATOM 1468 O ASP A 94 -13.715 -0.342 -5.119 1.00 24.41 O ATOM 1469 CB ASP A 94 -15.660 0.749 -7.409 1.00 55.21 C ATOM 1470 CG ASP A 94 -16.680 0.014 -6.562 1.00 2.34 C ATOM 1471 OD1 ASP A 94 -17.231 0.631 -5.627 1.00 72.13 O ATOM 1472 OD2 ASP A 94 -16.927 -1.180 -6.835 1.00 0.30 O ATOM 0 H ASP A 94 -14.070 2.426 -8.321 1.00 5.43 H new ATOM 0 HA ASP A 94 -14.984 1.818 -5.671 1.00 61.23 H new ATOM 0 HB2 ASP A 94 -16.163 1.527 -7.984 1.00 55.21 H new ATOM 0 HB3 ASP A 94 -15.221 0.056 -8.126 1.00 55.21 H new ATOM 1478 N ALA A 95 -12.499 0.139 -6.950 1.00 74.02 N ATOM 1479 CA ALA A 95 -11.467 -0.849 -6.659 1.00 53.24 C ATOM 1480 C ALA A 95 -10.623 -0.425 -5.462 1.00 70.33 C ATOM 1481 O ALA A 95 -10.518 -1.155 -4.476 1.00 52.13 O ATOM 1482 CB ALA A 95 -10.586 -1.065 -7.880 1.00 24.11 C ATOM 0 H ALA A 95 -12.344 0.671 -7.806 1.00 74.02 H new ATOM 0 HA ALA A 95 -11.958 -1.789 -6.408 1.00 53.24 H new ATOM 0 HB1 ALA A 95 -9.820 -1.805 -7.649 1.00 24.11 H new ATOM 0 HB2 ALA A 95 -11.196 -1.421 -8.710 1.00 24.11 H new ATOM 0 HB3 ALA A 95 -10.110 -0.124 -8.157 1.00 24.11 H new ATOM 1488 N ILE A 96 -10.023 0.757 -5.556 1.00 73.31 N ATOM 1489 CA ILE A 96 -9.188 1.276 -4.480 1.00 53.24 C ATOM 1490 C ILE A 96 -9.984 1.420 -3.187 1.00 53.10 C ATOM 1491 O ILE A 96 -9.470 1.164 -2.098 1.00 13.42 O ATOM 1492 CB ILE A 96 -8.580 2.642 -4.849 1.00 11.03 C ATOM 1493 CG1 ILE A 96 -7.664 2.505 -6.066 1.00 25.22 C ATOM 1494 CG2 ILE A 96 -7.816 3.219 -3.666 1.00 64.21 C ATOM 1495 CD1 ILE A 96 -6.460 1.623 -5.819 1.00 1.25 C ATOM 0 H ILE A 96 -10.100 1.373 -6.366 1.00 73.31 H new ATOM 0 HA ILE A 96 -8.383 0.557 -4.330 1.00 53.24 H new ATOM 0 HB ILE A 96 -9.389 3.327 -5.102 1.00 11.03 H new ATOM 0 HG12 ILE A 96 -8.238 2.098 -6.899 1.00 25.22 H new ATOM 0 HG13 ILE A 96 -7.323 3.495 -6.368 1.00 25.22 H new ATOM 0 HG21 ILE A 96 -7.392 4.184 -3.943 1.00 64.21 H new ATOM 0 HG22 ILE A 96 -8.495 3.349 -2.823 1.00 64.21 H new ATOM 0 HG23 ILE A 96 -7.013 2.538 -3.384 1.00 64.21 H new ATOM 0 HD11 ILE A 96 -5.855 1.571 -6.724 1.00 1.25 H new ATOM 0 HD12 ILE A 96 -5.864 2.040 -5.008 1.00 1.25 H new ATOM 0 HD13 ILE A 96 -6.793 0.621 -5.547 1.00 1.25 H new ATOM 1507 N TYR A 97 -11.242 1.828 -3.315 1.00 40.32 N ATOM 1508 CA TYR A 97 -12.109 2.007 -2.157 1.00 34.10 C ATOM 1509 C TYR A 97 -12.276 0.697 -1.394 1.00 24.34 C ATOM 1510 O TYR A 97 -12.396 0.689 -0.169 1.00 75.04 O ATOM 1511 CB TYR A 97 -13.478 2.532 -2.595 1.00 31.33 C ATOM 1512 CG TYR A 97 -13.609 4.035 -2.496 1.00 51.12 C ATOM 1513 CD1 TYR A 97 -12.610 4.872 -2.978 1.00 22.24 C ATOM 1514 CD2 TYR A 97 -14.731 4.619 -1.922 1.00 32.31 C ATOM 1515 CE1 TYR A 97 -12.725 6.246 -2.890 1.00 24.20 C ATOM 1516 CE2 TYR A 97 -14.855 5.991 -1.831 1.00 42.04 C ATOM 1517 CZ TYR A 97 -13.849 6.800 -2.316 1.00 55.24 C ATOM 1518 OH TYR A 97 -13.969 8.169 -2.226 1.00 73.23 O ATOM 0 H TYR A 97 -11.684 2.041 -4.209 1.00 40.32 H new ATOM 0 HA TYR A 97 -11.642 2.736 -1.495 1.00 34.10 H new ATOM 0 HB2 TYR A 97 -13.663 2.226 -3.625 1.00 31.33 H new ATOM 0 HB3 TYR A 97 -14.250 2.067 -1.981 1.00 31.33 H new ATOM 0 HD1 TYR A 97 -11.728 4.441 -3.429 1.00 22.24 H new ATOM 0 HD2 TYR A 97 -15.520 3.989 -1.540 1.00 32.31 H new ATOM 0 HE1 TYR A 97 -11.939 6.882 -3.269 1.00 24.20 H new ATOM 0 HE2 TYR A 97 -15.735 6.428 -1.383 1.00 42.04 H new ATOM 0 HH TYR A 97 -14.820 8.395 -1.797 1.00 73.23 H new ATOM 1528 N SER A 98 -12.279 -0.412 -2.129 1.00 14.43 N ATOM 1529 CA SER A 98 -12.433 -1.729 -1.522 1.00 61.14 C ATOM 1530 C SER A 98 -11.136 -2.176 -0.855 1.00 14.45 C ATOM 1531 O SER A 98 -11.117 -2.507 0.330 1.00 34.05 O ATOM 1532 CB SER A 98 -12.855 -2.753 -2.579 1.00 11.23 C ATOM 1533 OG SER A 98 -14.242 -2.664 -2.850 1.00 44.55 O ATOM 0 H SER A 98 -12.177 -0.424 -3.144 1.00 14.43 H new ATOM 0 HA SER A 98 -13.208 -1.662 -0.759 1.00 61.14 H new ATOM 0 HB2 SER A 98 -12.291 -2.587 -3.497 1.00 11.23 H new ATOM 0 HB3 SER A 98 -12.613 -3.758 -2.233 1.00 11.23 H new ATOM 0 HG SER A 98 -14.398 -1.980 -3.534 1.00 44.55 H new ATOM 1539 N VAL A 99 -10.052 -2.181 -1.625 1.00 15.41 N ATOM 1540 CA VAL A 99 -8.750 -2.584 -1.108 1.00 70.13 C ATOM 1541 C VAL A 99 -8.318 -1.694 0.050 1.00 14.51 C ATOM 1542 O VAL A 99 -7.988 -2.181 1.132 1.00 42.23 O ATOM 1543 CB VAL A 99 -7.673 -2.538 -2.208 1.00 3.35 C ATOM 1544 CG1 VAL A 99 -6.365 -3.128 -1.699 1.00 70.13 C ATOM 1545 CG2 VAL A 99 -8.149 -3.270 -3.453 1.00 74.11 C ATOM 0 H VAL A 99 -10.050 -1.911 -2.608 1.00 15.41 H new ATOM 0 HA VAL A 99 -8.853 -3.609 -0.753 1.00 70.13 H new ATOM 0 HB VAL A 99 -7.495 -1.496 -2.474 1.00 3.35 H new ATOM 0 HG11 VAL A 99 -5.616 -3.087 -2.489 1.00 70.13 H new ATOM 0 HG12 VAL A 99 -6.017 -2.555 -0.839 1.00 70.13 H new ATOM 0 HG13 VAL A 99 -6.524 -4.165 -1.403 1.00 70.13 H new ATOM 0 HG21 VAL A 99 -7.375 -3.227 -4.219 1.00 74.11 H new ATOM 0 HG22 VAL A 99 -8.357 -4.311 -3.206 1.00 74.11 H new ATOM 0 HG23 VAL A 99 -9.057 -2.798 -3.828 1.00 74.11 H new ATOM 1555 N GLU A 100 -8.323 -0.384 -0.183 1.00 4.21 N ATOM 1556 CA GLU A 100 -7.930 0.574 0.843 1.00 55.43 C ATOM 1557 C GLU A 100 -8.680 0.315 2.146 1.00 40.22 C ATOM 1558 O GLU A 100 -8.158 0.562 3.234 1.00 31.20 O ATOM 1559 CB GLU A 100 -8.197 2.004 0.364 1.00 4.01 C ATOM 1560 CG GLU A 100 -9.648 2.431 0.500 1.00 30.31 C ATOM 1561 CD GLU A 100 -9.907 3.809 -0.075 1.00 10.21 C ATOM 1562 OE1 GLU A 100 -8.987 4.372 -0.705 1.00 24.31 O ATOM 1563 OE2 GLU A 100 -11.029 4.327 0.106 1.00 21.31 O ATOM 0 H GLU A 100 -8.594 0.036 -1.072 1.00 4.21 H new ATOM 0 HA GLU A 100 -6.863 0.452 1.028 1.00 55.43 H new ATOM 0 HB2 GLU A 100 -7.570 2.691 0.932 1.00 4.01 H new ATOM 0 HB3 GLU A 100 -7.898 2.090 -0.681 1.00 4.01 H new ATOM 0 HG2 GLU A 100 -10.285 1.705 -0.005 1.00 30.31 H new ATOM 0 HG3 GLU A 100 -9.928 2.423 1.553 1.00 30.31 H new ATOM 1571 N ASP A 101 -9.905 -0.183 2.027 1.00 53.42 N ATOM 1572 CA ASP A 101 -10.728 -0.477 3.196 1.00 43.14 C ATOM 1573 C ASP A 101 -10.523 -1.918 3.655 1.00 53.34 C ATOM 1574 O ASP A 101 -9.995 -2.746 2.914 1.00 10.14 O ATOM 1575 CB ASP A 101 -12.204 -0.233 2.881 1.00 62.35 C ATOM 1576 CG ASP A 101 -13.033 -0.008 4.129 1.00 31.42 C ATOM 1577 OD1 ASP A 101 -14.023 -0.745 4.327 1.00 4.12 O ATOM 1578 OD2 ASP A 101 -12.692 0.904 4.911 1.00 52.31 O ATOM 0 H ASP A 101 -10.351 -0.392 1.134 1.00 53.42 H new ATOM 0 HA ASP A 101 -10.423 0.189 4.003 1.00 43.14 H new ATOM 0 HB2 ASP A 101 -12.294 0.634 2.227 1.00 62.35 H new ATOM 0 HB3 ASP A 101 -12.602 -1.088 2.333 1.00 62.35 H new ATOM 1584 N GLU A 102 -10.946 -2.207 4.882 1.00 43.21 N ATOM 1585 CA GLU A 102 -10.807 -3.548 5.440 1.00 52.11 C ATOM 1586 C GLU A 102 -9.371 -4.045 5.308 1.00 62.13 C ATOM 1587 O GLU A 102 -9.081 -4.929 4.502 1.00 2.11 O ATOM 1588 CB GLU A 102 -11.761 -4.517 4.738 1.00 31.15 C ATOM 1589 CG GLU A 102 -13.186 -3.999 4.635 1.00 64.33 C ATOM 1590 CD GLU A 102 -14.084 -4.923 3.833 1.00 14.40 C ATOM 1591 OE1 GLU A 102 -13.702 -5.285 2.701 1.00 24.23 O ATOM 1592 OE2 GLU A 102 -15.169 -5.280 4.338 1.00 22.40 O ATOM 0 H GLU A 102 -11.387 -1.533 5.507 1.00 43.21 H new ATOM 0 HA GLU A 102 -11.061 -3.502 6.499 1.00 52.11 H new ATOM 0 HB2 GLU A 102 -11.385 -4.723 3.736 1.00 31.15 H new ATOM 0 HB3 GLU A 102 -11.766 -5.464 5.277 1.00 31.15 H new ATOM 0 HG2 GLU A 102 -13.598 -3.877 5.637 1.00 64.33 H new ATOM 0 HG3 GLU A 102 -13.178 -3.013 4.171 1.00 64.33 H new ATOM 1600 N ASN A 103 -8.476 -3.471 6.105 1.00 22.50 N ATOM 1601 CA ASN A 103 -7.070 -3.856 6.077 1.00 20.04 C ATOM 1602 C ASN A 103 -6.761 -4.869 7.176 1.00 25.22 C ATOM 1603 O ASN A 103 -5.820 -5.654 7.064 1.00 24.44 O ATOM 1604 CB ASN A 103 -6.179 -2.622 6.242 1.00 64.43 C ATOM 1605 CG ASN A 103 -5.916 -1.919 4.924 1.00 71.23 C ATOM 1606 OD1 ASN A 103 -6.966 -1.745 4.128 1.00 72.54 O flip ATOM 1607 ND2 ASN A 103 -4.784 -1.537 4.626 1.00 4.42 N flip ATOM 0 H ASN A 103 -8.699 -2.738 6.778 1.00 22.50 H new ATOM 0 HA ASN A 103 -6.865 -4.319 5.112 1.00 20.04 H new ATOM 0 HB2 ASN A 103 -6.652 -1.925 6.934 1.00 64.43 H new ATOM 0 HB3 ASN A 103 -5.230 -2.919 6.688 1.00 64.43 H new ATOM 0 HD21 ASN A 103 -4.008 -1.692 5.269 1.00 4.42 H new ATOM 0 HD22 ASN A 103 -4.623 -1.065 3.736 1.00 4.42 H new ATOM 1614 N LYS A 104 -7.562 -4.847 8.236 1.00 4.12 N ATOM 1615 CA LYS A 104 -7.377 -5.765 9.354 1.00 1.21 C ATOM 1616 C LYS A 104 -8.484 -6.812 9.387 1.00 42.13 C ATOM 1617 O LYS A 104 -8.397 -7.798 10.119 1.00 43.21 O ATOM 1618 CB LYS A 104 -7.351 -4.992 10.675 1.00 23.14 C ATOM 1619 CG LYS A 104 -8.620 -4.201 10.942 1.00 62.12 C ATOM 1620 CD LYS A 104 -9.598 -4.989 11.798 1.00 15.31 C ATOM 1621 CE LYS A 104 -9.084 -5.158 13.219 1.00 2.15 C ATOM 1622 NZ LYS A 104 -8.745 -3.850 13.846 1.00 13.04 N ATOM 0 H LYS A 104 -8.346 -4.203 8.344 1.00 4.12 H new ATOM 0 HA LYS A 104 -6.423 -6.275 9.219 1.00 1.21 H new ATOM 0 HB2 LYS A 104 -7.191 -5.694 11.494 1.00 23.14 H new ATOM 0 HB3 LYS A 104 -6.501 -4.309 10.670 1.00 23.14 H new ATOM 0 HG2 LYS A 104 -8.369 -3.266 11.442 1.00 62.12 H new ATOM 0 HG3 LYS A 104 -9.093 -3.939 9.995 1.00 62.12 H new ATOM 0 HD2 LYS A 104 -10.561 -4.478 11.817 1.00 15.31 H new ATOM 0 HD3 LYS A 104 -9.766 -5.969 11.352 1.00 15.31 H new ATOM 0 HE2 LYS A 104 -9.839 -5.664 13.820 1.00 2.15 H new ATOM 0 HE3 LYS A 104 -8.201 -5.797 13.212 1.00 2.15 H new ATOM 0 HZ1 LYS A 104 -8.661 -3.970 14.876 1.00 13.04 H new ATOM 0 HZ2 LYS A 104 -7.842 -3.505 13.463 1.00 13.04 H new ATOM 0 HZ3 LYS A 104 -9.495 -3.160 13.638 1.00 13.04 H new ATOM 1636 N GLN A 105 -9.524 -6.593 8.589 1.00 51.23 N ATOM 1637 CA GLN A 105 -10.648 -7.519 8.527 1.00 63.31 C ATOM 1638 C GLN A 105 -10.192 -8.897 8.058 1.00 32.42 C ATOM 1639 O GLN A 105 -8.995 -9.168 7.966 1.00 32.34 O ATOM 1640 CB GLN A 105 -11.729 -6.981 7.588 1.00 55.12 C ATOM 1641 CG GLN A 105 -12.153 -5.556 7.904 1.00 14.31 C ATOM 1642 CD GLN A 105 -12.935 -5.452 9.199 1.00 63.44 C ATOM 1643 OE1 GLN A 105 -12.322 -4.858 10.216 1.00 22.13 O flip ATOM 1644 NE2 GLN A 105 -14.079 -5.902 9.284 1.00 44.34 N flip ATOM 0 H GLN A 105 -9.611 -5.782 7.976 1.00 51.23 H new ATOM 0 HA GLN A 105 -11.063 -7.614 9.530 1.00 63.31 H new ATOM 0 HB2 GLN A 105 -11.362 -7.023 6.562 1.00 55.12 H new ATOM 0 HB3 GLN A 105 -12.602 -7.632 7.641 1.00 55.12 H new ATOM 0 HG2 GLN A 105 -11.268 -4.923 7.967 1.00 14.31 H new ATOM 0 HG3 GLN A 105 -12.761 -5.172 7.085 1.00 14.31 H new ATOM 0 HE21 GLN A 105 -14.512 -6.351 8.477 1.00 44.34 H new ATOM 0 HE22 GLN A 105 -14.593 -5.825 10.162 1.00 44.34 H new ATOM 1653 N SER A 106 -11.155 -9.765 7.764 1.00 65.02 N ATOM 1654 CA SER A 106 -10.852 -11.118 7.309 1.00 1.11 C ATOM 1655 C SER A 106 -9.887 -11.090 6.127 1.00 43.13 C ATOM 1656 O SER A 106 -8.959 -11.894 6.052 1.00 3.30 O ATOM 1657 CB SER A 106 -12.138 -11.846 6.914 1.00 13.41 C ATOM 1658 OG SER A 106 -11.866 -12.920 6.032 1.00 73.45 O ATOM 0 H SER A 106 -12.151 -9.556 7.833 1.00 65.02 H new ATOM 0 HA SER A 106 -10.377 -11.654 8.131 1.00 1.11 H new ATOM 0 HB2 SER A 106 -12.635 -12.223 7.808 1.00 13.41 H new ATOM 0 HB3 SER A 106 -12.824 -11.146 6.438 1.00 13.41 H new ATOM 0 HG SER A 106 -12.704 -13.370 5.796 1.00 73.45 H new ATOM 1664 N GLU A 107 -10.115 -10.158 5.206 1.00 12.24 N ATOM 1665 CA GLU A 107 -9.267 -10.026 4.028 1.00 51.41 C ATOM 1666 C GLU A 107 -8.787 -8.586 3.861 1.00 32.42 C ATOM 1667 O GLU A 107 -9.463 -7.644 4.271 1.00 53.22 O ATOM 1668 CB GLU A 107 -10.024 -10.471 2.775 1.00 25.11 C ATOM 1669 CG GLU A 107 -9.853 -11.946 2.452 1.00 32.10 C ATOM 1670 CD GLU A 107 -10.632 -12.368 1.223 1.00 71.23 C ATOM 1671 OE1 GLU A 107 -11.866 -12.532 1.330 1.00 33.55 O ATOM 1672 OE2 GLU A 107 -10.011 -12.535 0.153 1.00 43.31 O ATOM 0 H GLU A 107 -10.879 -9.484 5.254 1.00 12.24 H new ATOM 0 HA GLU A 107 -8.396 -10.667 4.165 1.00 51.41 H new ATOM 0 HB2 GLU A 107 -11.085 -10.257 2.907 1.00 25.11 H new ATOM 0 HB3 GLU A 107 -9.683 -9.880 1.925 1.00 25.11 H new ATOM 0 HG2 GLU A 107 -8.795 -12.160 2.298 1.00 32.10 H new ATOM 0 HG3 GLU A 107 -10.178 -12.541 3.306 1.00 32.10 H new ATOM 1680 N GLY A 108 -7.614 -8.426 3.256 1.00 21.25 N ATOM 1681 CA GLY A 108 -7.062 -7.100 3.047 1.00 74.25 C ATOM 1682 C GLY A 108 -5.851 -7.113 2.137 1.00 4.04 C ATOM 1683 O GLY A 108 -5.845 -6.466 1.090 1.00 13.15 O ATOM 0 H GLY A 108 -7.036 -9.191 2.907 1.00 21.25 H new ATOM 0 HA2 GLY A 108 -7.828 -6.454 2.618 1.00 74.25 H new ATOM 0 HA3 GLY A 108 -6.785 -6.669 4.009 1.00 74.25 H new ATOM 1687 N SER A 109 -4.820 -7.851 2.538 1.00 40.10 N ATOM 1688 CA SER A 109 -3.594 -7.941 1.754 1.00 63.35 C ATOM 1689 C SER A 109 -3.260 -9.395 1.433 1.00 12.10 C ATOM 1690 O SER A 109 -3.174 -9.780 0.269 1.00 65.22 O ATOM 1691 CB SER A 109 -2.432 -7.293 2.508 1.00 33.35 C ATOM 1692 OG SER A 109 -1.187 -7.668 1.946 1.00 4.11 O ATOM 0 H SER A 109 -4.810 -8.395 3.401 1.00 40.10 H new ATOM 0 HA SER A 109 -3.751 -7.407 0.817 1.00 63.35 H new ATOM 0 HB2 SER A 109 -2.536 -6.208 2.479 1.00 33.35 H new ATOM 0 HB3 SER A 109 -2.465 -7.589 3.557 1.00 33.35 H new ATOM 0 HG SER A 109 -0.461 -7.239 2.445 1.00 4.11 H new TER 1698 SER A 109