USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 773 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 HIS : no HD1:sc= 0 X(o=0.44,f=0.39) USER MOD Set 1.2: A 15 SER OG : rot 45:sc= 0.443 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.108 (180deg=-0.576) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0124) USER MOD Single : A 3 HIS : no HD1:sc= -0.0299 X(o=-0.03,f=-0.42) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.498 X(o=-0.5,f=-0.46) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0767 X(o=-0.077,f=-0.077) USER MOD Single : A 9 SER OG : rot 39:sc= 0.0777 USER MOD Single : A 10 HIS : no HD1:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 11 MET CE :methyl -160:sc= -0.176 (180deg=-0.673) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.0172 X(o=-0.017,f=-0.46) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.866 USER MOD Single : A 29 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0562) USER MOD Single : A 32 HIS : no HD1:sc= -0.155 X(o=-0.15,f=-0.15) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0332 X(o=-0.033,f=-0.46) USER MOD Single : A 49 ASN : amide:sc= -0.794 K(o=-0.79,f=-0.0027) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -155:sc= 0.798 (180deg=0.245) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 58 ASN : amide:sc= -0.137 K(o=-0.14,f=-2.3!) USER MOD Single : A 61 GLN : amide:sc= -1.01 K(o=-1,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 176:sc= 1.15 (180deg=1.07) USER MOD Single : A 74 ASN : amide:sc= -0.0203 K(o=-0.02,f=-1.4) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0.0796 X(o=0.08,f=-0.16) USER MOD Single : A 80 ASN : amide:sc= -0.201 K(o=-0.2,f=-2.4!) USER MOD Single : A 81 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.955 K(o=-0.96,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.301 -6.058 63.109 1.00 71.44 N ATOM 2 CA MET A 1 -22.136 -6.363 62.234 1.00 31.24 C ATOM 3 C MET A 1 -22.264 -5.633 60.875 1.00 5.31 C ATOM 4 O MET A 1 -23.297 -5.751 60.210 1.00 2.34 O ATOM 5 CB MET A 1 -21.994 -7.900 62.013 1.00 44.02 C ATOM 6 CG MET A 1 -21.718 -8.711 63.287 1.00 52.43 C ATOM 7 SD MET A 1 -21.473 -10.477 62.959 1.00 73.04 S ATOM 8 CE MET A 1 -20.012 -10.458 61.907 1.00 62.33 C ATOM 0 H1 MET A 1 -23.162 -6.502 64.039 1.00 71.44 H new ATOM 0 H2 MET A 1 -23.387 -5.028 63.227 1.00 71.44 H new ATOM 0 H3 MET A 1 -24.169 -6.430 62.674 1.00 71.44 H new ATOM 0 HA MET A 1 -21.237 -6.004 62.735 1.00 31.24 H new ATOM 0 HB2 MET A 1 -22.909 -8.273 61.553 1.00 44.02 H new ATOM 0 HB3 MET A 1 -21.186 -8.078 61.304 1.00 44.02 H new ATOM 0 HG2 MET A 1 -20.832 -8.312 63.781 1.00 52.43 H new ATOM 0 HG3 MET A 1 -22.552 -8.587 63.978 1.00 52.43 H new ATOM 0 HE1 MET A 1 -19.553 -11.446 61.904 1.00 62.33 H new ATOM 0 HE2 MET A 1 -20.299 -10.189 60.891 1.00 62.33 H new ATOM 0 HE3 MET A 1 -19.299 -9.727 62.288 1.00 62.33 H new ATOM 20 N GLY A 2 -21.207 -4.890 60.471 1.00 61.40 N ATOM 21 CA GLY A 2 -21.221 -4.121 59.218 1.00 51.13 C ATOM 22 C GLY A 2 -19.832 -3.641 58.784 1.00 62.11 C ATOM 23 O GLY A 2 -19.311 -2.660 59.322 1.00 64.33 O ATOM 0 H GLY A 2 -20.338 -4.811 60.999 1.00 61.40 H new ATOM 0 HA2 GLY A 2 -21.648 -4.737 58.427 1.00 51.13 H new ATOM 0 HA3 GLY A 2 -21.875 -3.257 59.338 1.00 51.13 H new ATOM 27 N HIS A 3 -19.214 -4.359 57.826 1.00 61.12 N ATOM 28 CA HIS A 3 -17.949 -3.938 57.174 1.00 63.22 C ATOM 29 C HIS A 3 -18.243 -3.423 55.743 1.00 3.03 C ATOM 30 O HIS A 3 -18.150 -4.174 54.762 1.00 51.52 O ATOM 31 CB HIS A 3 -16.940 -5.117 57.142 1.00 13.21 C ATOM 32 CG HIS A 3 -16.524 -5.618 58.502 1.00 25.21 C ATOM 33 ND1 HIS A 3 -17.386 -6.244 59.372 1.00 5.40 N ATOM 34 CD2 HIS A 3 -15.333 -5.574 59.139 1.00 0.44 C ATOM 35 CE1 HIS A 3 -16.746 -6.560 60.474 1.00 71.32 C ATOM 36 NE2 HIS A 3 -15.502 -6.166 60.358 1.00 62.53 N ATOM 0 H HIS A 3 -19.574 -5.248 57.479 1.00 61.12 H new ATOM 0 HA HIS A 3 -17.502 -3.128 57.750 1.00 63.22 H new ATOM 0 HB2 HIS A 3 -17.382 -5.942 56.584 1.00 13.21 H new ATOM 0 HB3 HIS A 3 -16.050 -4.803 56.596 1.00 13.21 H new ATOM 0 HD2 HIS A 3 -14.417 -5.149 58.755 1.00 0.44 H new ATOM 0 HE1 HIS A 3 -17.173 -7.060 61.331 1.00 71.32 H new ATOM 0 HE2 HIS A 3 -14.776 -6.283 61.065 1.00 62.53 H new ATOM 45 N HIS A 4 -18.646 -2.146 55.645 1.00 10.20 N ATOM 46 CA HIS A 4 -19.007 -1.502 54.363 1.00 60.54 C ATOM 47 C HIS A 4 -17.759 -0.868 53.691 1.00 32.04 C ATOM 48 O HIS A 4 -17.269 0.177 54.128 1.00 3.14 O ATOM 49 CB HIS A 4 -20.114 -0.441 54.613 1.00 12.31 C ATOM 50 CG HIS A 4 -20.599 0.268 53.370 1.00 54.05 C ATOM 51 ND1 HIS A 4 -21.579 -0.242 52.548 1.00 35.14 N ATOM 52 CD2 HIS A 4 -20.234 1.454 52.815 1.00 22.31 C ATOM 53 CE1 HIS A 4 -21.799 0.592 51.558 1.00 20.23 C ATOM 54 NE2 HIS A 4 -21.000 1.621 51.694 1.00 73.41 N ATOM 0 H HIS A 4 -18.732 -1.527 56.451 1.00 10.20 H new ATOM 0 HA HIS A 4 -19.393 -2.257 53.678 1.00 60.54 H new ATOM 0 HB2 HIS A 4 -20.963 -0.928 55.092 1.00 12.31 H new ATOM 0 HB3 HIS A 4 -19.735 0.302 55.314 1.00 12.31 H new ATOM 0 HD2 HIS A 4 -19.483 2.134 53.188 1.00 22.31 H new ATOM 0 HE1 HIS A 4 -22.518 0.453 50.764 1.00 20.23 H new ATOM 0 HE2 HIS A 4 -20.956 2.421 51.063 1.00 73.41 H new ATOM 63 N HIS A 5 -17.245 -1.526 52.634 1.00 34.23 N ATOM 64 CA HIS A 5 -16.096 -1.028 51.835 1.00 24.20 C ATOM 65 C HIS A 5 -16.569 -0.661 50.407 1.00 44.32 C ATOM 66 O HIS A 5 -17.025 -1.534 49.657 1.00 35.42 O ATOM 67 CB HIS A 5 -14.982 -2.103 51.776 1.00 50.30 C ATOM 68 CG HIS A 5 -14.439 -2.500 53.127 1.00 1.15 C ATOM 69 ND1 HIS A 5 -13.386 -1.850 53.731 1.00 22.10 N ATOM 70 CD2 HIS A 5 -14.809 -3.483 53.989 1.00 14.15 C ATOM 71 CE1 HIS A 5 -13.130 -2.411 54.893 1.00 30.14 C ATOM 72 NE2 HIS A 5 -13.978 -3.402 55.077 1.00 43.44 N ATOM 0 H HIS A 5 -17.611 -2.419 52.305 1.00 34.23 H new ATOM 0 HA HIS A 5 -15.690 -0.135 52.311 1.00 24.20 H new ATOM 0 HB2 HIS A 5 -15.374 -2.990 51.278 1.00 50.30 H new ATOM 0 HB3 HIS A 5 -14.163 -1.729 51.162 1.00 50.30 H new ATOM 0 HD2 HIS A 5 -15.608 -4.195 53.844 1.00 14.15 H new ATOM 0 HE1 HIS A 5 -12.354 -2.109 55.581 1.00 30.14 H new ATOM 0 HE2 HIS A 5 -14.011 -4.010 55.895 1.00 43.44 H new ATOM 81 N HIS A 6 -16.469 0.630 50.049 1.00 30.13 N ATOM 82 CA HIS A 6 -16.926 1.150 48.741 1.00 1.51 C ATOM 83 C HIS A 6 -15.973 0.702 47.596 1.00 52.42 C ATOM 84 O HIS A 6 -14.904 1.294 47.391 1.00 42.21 O ATOM 85 CB HIS A 6 -17.041 2.696 48.809 1.00 22.12 C ATOM 86 CG HIS A 6 -17.624 3.347 47.575 1.00 40.34 C ATOM 87 ND1 HIS A 6 -16.851 3.919 46.584 1.00 64.04 N ATOM 88 CD2 HIS A 6 -18.910 3.526 47.184 1.00 55.20 C ATOM 89 CE1 HIS A 6 -17.633 4.418 45.650 1.00 75.01 C ATOM 90 NE2 HIS A 6 -18.881 4.193 45.990 1.00 44.54 N ATOM 0 H HIS A 6 -16.069 1.346 50.656 1.00 30.13 H new ATOM 0 HA HIS A 6 -17.909 0.736 48.519 1.00 1.51 H new ATOM 0 HB2 HIS A 6 -17.657 2.962 49.668 1.00 22.12 H new ATOM 0 HB3 HIS A 6 -16.049 3.112 48.987 1.00 22.12 H new ATOM 0 HD2 HIS A 6 -19.792 3.202 47.716 1.00 55.20 H new ATOM 0 HE1 HIS A 6 -17.304 4.926 44.756 1.00 75.01 H new ATOM 0 HE2 HIS A 6 -19.700 4.472 45.449 1.00 44.54 H new ATOM 99 N HIS A 7 -16.368 -0.367 46.872 1.00 23.01 N ATOM 100 CA HIS A 7 -15.586 -0.923 45.744 1.00 50.44 C ATOM 101 C HIS A 7 -15.800 -0.080 44.454 1.00 5.34 C ATOM 102 O HIS A 7 -16.713 -0.341 43.662 1.00 15.52 O ATOM 103 CB HIS A 7 -15.977 -2.409 45.504 1.00 53.15 C ATOM 104 CG HIS A 7 -15.772 -3.315 46.700 1.00 61.33 C ATOM 105 ND1 HIS A 7 -16.799 -3.745 47.514 1.00 24.03 N ATOM 106 CD2 HIS A 7 -14.649 -3.891 47.200 1.00 33.52 C ATOM 107 CE1 HIS A 7 -16.322 -4.536 48.452 1.00 54.23 C ATOM 108 NE2 HIS A 7 -15.021 -4.643 48.285 1.00 22.53 N ATOM 0 H HIS A 7 -17.237 -0.869 47.052 1.00 23.01 H new ATOM 0 HA HIS A 7 -14.527 -0.879 46.000 1.00 50.44 H new ATOM 0 HB2 HIS A 7 -17.025 -2.452 45.207 1.00 53.15 H new ATOM 0 HB3 HIS A 7 -15.393 -2.794 44.668 1.00 53.15 H new ATOM 0 HD2 HIS A 7 -13.647 -3.778 46.814 1.00 33.52 H new ATOM 0 HE1 HIS A 7 -16.901 -5.016 49.227 1.00 54.23 H new ATOM 0 HE2 HIS A 7 -14.392 -5.195 48.868 1.00 22.53 H new ATOM 117 N HIS A 8 -14.984 0.974 44.291 1.00 10.53 N ATOM 118 CA HIS A 8 -14.975 1.840 43.077 1.00 73.02 C ATOM 119 C HIS A 8 -13.847 1.394 42.090 1.00 52.11 C ATOM 120 O HIS A 8 -13.570 2.065 41.092 1.00 4.11 O ATOM 121 CB HIS A 8 -14.803 3.319 43.526 1.00 72.32 C ATOM 122 CG HIS A 8 -14.956 4.360 42.440 1.00 72.32 C ATOM 123 ND1 HIS A 8 -16.173 4.710 41.904 1.00 51.23 N ATOM 124 CD2 HIS A 8 -14.039 5.117 41.786 1.00 55.51 C ATOM 125 CE1 HIS A 8 -16.002 5.634 40.986 1.00 71.43 C ATOM 126 NE2 HIS A 8 -14.720 5.897 40.893 1.00 23.15 N ATOM 0 H HIS A 8 -14.304 1.260 44.996 1.00 10.53 H new ATOM 0 HA HIS A 8 -15.918 1.743 42.539 1.00 73.02 H new ATOM 0 HB2 HIS A 8 -15.532 3.528 44.309 1.00 72.32 H new ATOM 0 HB3 HIS A 8 -13.815 3.430 43.973 1.00 72.32 H new ATOM 0 HD2 HIS A 8 -12.970 5.105 41.942 1.00 55.51 H new ATOM 0 HE1 HIS A 8 -16.785 6.099 40.405 1.00 71.43 H new ATOM 0 HE2 HIS A 8 -14.299 6.574 40.257 1.00 23.15 H new ATOM 135 N SER A 9 -13.224 0.238 42.379 1.00 72.23 N ATOM 136 CA SER A 9 -12.141 -0.345 41.557 1.00 63.44 C ATOM 137 C SER A 9 -12.666 -0.850 40.183 1.00 31.35 C ATOM 138 O SER A 9 -13.565 -1.696 40.120 1.00 32.24 O ATOM 139 CB SER A 9 -11.461 -1.498 42.339 1.00 23.12 C ATOM 140 OG SER A 9 -12.414 -2.461 42.787 1.00 0.32 O ATOM 0 H SER A 9 -13.458 -0.325 43.196 1.00 72.23 H new ATOM 0 HA SER A 9 -11.410 0.437 41.352 1.00 63.44 H new ATOM 0 HB2 SER A 9 -10.723 -1.985 41.702 1.00 23.12 H new ATOM 0 HB3 SER A 9 -10.924 -1.091 43.196 1.00 23.12 H new ATOM 0 HG SER A 9 -13.091 -2.600 42.092 1.00 0.32 H new ATOM 146 N HIS A 10 -12.106 -0.291 39.091 1.00 14.34 N ATOM 147 CA HIS A 10 -12.414 -0.694 37.693 1.00 20.01 C ATOM 148 C HIS A 10 -11.218 -1.449 37.074 1.00 72.03 C ATOM 149 O HIS A 10 -10.082 -1.318 37.543 1.00 54.45 O ATOM 150 CB HIS A 10 -12.750 0.555 36.838 1.00 52.14 C ATOM 151 CG HIS A 10 -13.994 1.282 37.273 1.00 44.53 C ATOM 152 ND1 HIS A 10 -15.251 0.935 36.840 1.00 20.21 N ATOM 153 CD2 HIS A 10 -14.170 2.342 38.098 1.00 25.55 C ATOM 154 CE1 HIS A 10 -16.139 1.742 37.373 1.00 1.20 C ATOM 155 NE2 HIS A 10 -15.513 2.605 38.143 1.00 45.25 N ATOM 0 H HIS A 10 -11.419 0.461 39.150 1.00 14.34 H new ATOM 0 HA HIS A 10 -13.278 -1.358 37.707 1.00 20.01 H new ATOM 0 HB2 HIS A 10 -11.907 1.245 36.876 1.00 52.14 H new ATOM 0 HB3 HIS A 10 -12.866 0.250 35.798 1.00 52.14 H new ATOM 0 HD2 HIS A 10 -13.395 2.880 38.623 1.00 25.55 H new ATOM 0 HE1 HIS A 10 -17.205 1.704 37.207 1.00 1.20 H new ATOM 0 HE2 HIS A 10 -15.955 3.348 38.684 1.00 45.25 H new ATOM 164 N MET A 11 -11.485 -2.227 36.009 1.00 43.13 N ATOM 165 CA MET A 11 -10.450 -3.024 35.307 1.00 64.12 C ATOM 166 C MET A 11 -9.843 -2.233 34.111 1.00 30.33 C ATOM 167 O MET A 11 -10.567 -1.810 33.200 1.00 64.14 O ATOM 168 CB MET A 11 -11.060 -4.371 34.831 1.00 10.22 C ATOM 169 CG MET A 11 -10.053 -5.370 34.230 1.00 14.33 C ATOM 170 SD MET A 11 -10.806 -6.951 33.774 1.00 71.31 S ATOM 171 CE MET A 11 -11.500 -7.504 35.333 1.00 72.34 C ATOM 0 H MET A 11 -12.418 -2.324 35.609 1.00 43.13 H new ATOM 0 HA MET A 11 -9.638 -3.231 36.004 1.00 64.12 H new ATOM 0 HB2 MET A 11 -11.558 -4.845 35.677 1.00 10.22 H new ATOM 0 HB3 MET A 11 -11.828 -4.161 34.086 1.00 10.22 H new ATOM 0 HG2 MET A 11 -9.593 -4.926 33.347 1.00 14.33 H new ATOM 0 HG3 MET A 11 -9.254 -5.549 34.950 1.00 14.33 H new ATOM 0 HE1 MET A 11 -11.670 -8.580 35.294 1.00 72.34 H new ATOM 0 HE2 MET A 11 -10.806 -7.275 36.142 1.00 72.34 H new ATOM 0 HE3 MET A 11 -12.446 -6.993 35.512 1.00 72.34 H new ATOM 181 N LYS A 12 -8.510 -2.026 34.146 1.00 63.23 N ATOM 182 CA LYS A 12 -7.750 -1.380 33.051 1.00 62.32 C ATOM 183 C LYS A 12 -7.581 -2.350 31.853 1.00 12.30 C ATOM 184 O LYS A 12 -7.198 -3.508 32.043 1.00 23.31 O ATOM 185 CB LYS A 12 -6.355 -0.932 33.581 1.00 52.51 C ATOM 186 CG LYS A 12 -5.373 -0.400 32.500 1.00 55.41 C ATOM 187 CD LYS A 12 -3.971 -0.067 33.072 1.00 65.01 C ATOM 188 CE LYS A 12 -2.957 0.336 31.982 1.00 11.32 C ATOM 189 NZ LYS A 12 -3.350 1.581 31.270 1.00 61.51 N ATOM 0 H LYS A 12 -7.927 -2.302 34.936 1.00 63.23 H new ATOM 0 HA LYS A 12 -8.304 -0.507 32.705 1.00 62.32 H new ATOM 0 HB2 LYS A 12 -6.502 -0.153 34.329 1.00 52.51 H new ATOM 0 HB3 LYS A 12 -5.889 -1.777 34.088 1.00 52.51 H new ATOM 0 HG2 LYS A 12 -5.271 -1.145 31.711 1.00 55.41 H new ATOM 0 HG3 LYS A 12 -5.795 0.494 32.041 1.00 55.41 H new ATOM 0 HD2 LYS A 12 -4.062 0.745 33.794 1.00 65.01 H new ATOM 0 HD3 LYS A 12 -3.590 -0.933 33.613 1.00 65.01 H new ATOM 0 HE2 LYS A 12 -1.976 0.476 32.437 1.00 11.32 H new ATOM 0 HE3 LYS A 12 -2.862 -0.476 31.261 1.00 11.32 H new ATOM 0 HZ1 LYS A 12 -2.636 1.808 30.548 1.00 61.51 H new ATOM 0 HZ2 LYS A 12 -4.273 1.442 30.812 1.00 61.51 H new ATOM 0 HZ3 LYS A 12 -3.416 2.364 31.951 1.00 61.51 H new ATOM 203 N HIS A 13 -7.878 -1.874 30.625 1.00 34.32 N ATOM 204 CA HIS A 13 -7.633 -2.649 29.391 1.00 34.10 C ATOM 205 C HIS A 13 -6.124 -2.600 29.018 1.00 70.23 C ATOM 206 O HIS A 13 -5.668 -1.688 28.315 1.00 32.13 O ATOM 207 CB HIS A 13 -8.511 -2.120 28.225 1.00 3.01 C ATOM 208 CG HIS A 13 -8.359 -2.896 26.935 1.00 43.42 C ATOM 209 ND1 HIS A 13 -7.467 -2.546 25.938 1.00 12.44 N ATOM 210 CD2 HIS A 13 -8.968 -4.025 26.497 1.00 1.24 C ATOM 211 CE1 HIS A 13 -7.542 -3.414 24.953 1.00 34.22 C ATOM 212 NE2 HIS A 13 -8.440 -4.318 25.268 1.00 70.24 N ATOM 0 H HIS A 13 -8.289 -0.955 30.462 1.00 34.32 H new ATOM 0 HA HIS A 13 -7.910 -3.688 29.571 1.00 34.10 H new ATOM 0 HB2 HIS A 13 -9.557 -2.146 28.531 1.00 3.01 H new ATOM 0 HB3 HIS A 13 -8.259 -1.076 28.040 1.00 3.01 H new ATOM 0 HD2 HIS A 13 -9.727 -4.588 27.019 1.00 1.24 H new ATOM 0 HE1 HIS A 13 -6.964 -3.388 24.041 1.00 34.22 H new ATOM 0 HE2 HIS A 13 -8.703 -5.114 24.688 1.00 70.24 H new ATOM 221 N SER A 14 -5.355 -3.562 29.548 1.00 30.12 N ATOM 222 CA SER A 14 -3.910 -3.701 29.254 1.00 4.35 C ATOM 223 C SER A 14 -3.692 -4.787 28.179 1.00 34.35 C ATOM 224 O SER A 14 -4.089 -5.943 28.369 1.00 12.51 O ATOM 225 CB SER A 14 -3.132 -4.063 30.537 1.00 31.15 C ATOM 226 OG SER A 14 -1.739 -4.191 30.287 1.00 61.14 O ATOM 0 H SER A 14 -5.711 -4.268 30.193 1.00 30.12 H new ATOM 0 HA SER A 14 -3.537 -2.748 28.878 1.00 4.35 H new ATOM 0 HB2 SER A 14 -3.297 -3.295 31.292 1.00 31.15 H new ATOM 0 HB3 SER A 14 -3.516 -4.998 30.944 1.00 31.15 H new ATOM 0 HG SER A 14 -1.277 -4.419 31.120 1.00 61.14 H new ATOM 232 N SER A 15 -3.058 -4.408 27.058 1.00 4.42 N ATOM 233 CA SER A 15 -2.808 -5.315 25.910 1.00 25.34 C ATOM 234 C SER A 15 -1.481 -4.944 25.207 1.00 2.11 C ATOM 235 O SER A 15 -1.445 -4.094 24.309 1.00 33.45 O ATOM 236 CB SER A 15 -3.998 -5.282 24.919 1.00 24.22 C ATOM 237 OG SER A 15 -4.251 -3.970 24.436 1.00 1.22 O ATOM 0 H SER A 15 -2.701 -3.463 26.915 1.00 4.42 H new ATOM 0 HA SER A 15 -2.716 -6.334 26.285 1.00 25.34 H new ATOM 0 HB2 SER A 15 -3.789 -5.944 24.079 1.00 24.22 H new ATOM 0 HB3 SER A 15 -4.891 -5.666 25.412 1.00 24.22 H new ATOM 0 HG SER A 15 -3.404 -3.544 24.188 1.00 1.22 H new ATOM 243 N ARG A 16 -0.378 -5.566 25.664 1.00 51.12 N ATOM 244 CA ARG A 16 0.979 -5.323 25.116 1.00 25.10 C ATOM 245 C ARG A 16 1.391 -6.462 24.148 1.00 31.44 C ATOM 246 O ARG A 16 1.989 -7.473 24.563 1.00 23.51 O ATOM 247 CB ARG A 16 2.009 -5.179 26.277 1.00 54.14 C ATOM 248 CG ARG A 16 1.673 -4.072 27.308 1.00 70.44 C ATOM 249 CD ARG A 16 2.773 -3.904 28.377 1.00 24.12 C ATOM 250 NE ARG A 16 4.045 -3.434 27.790 1.00 52.31 N ATOM 251 CZ ARG A 16 5.257 -3.820 28.148 1.00 3.31 C ATOM 252 NH1 ARG A 16 5.448 -4.762 29.023 1.00 20.23 N ATOM 253 NH2 ARG A 16 6.285 -3.280 27.581 1.00 23.05 N ATOM 0 H ARG A 16 -0.397 -6.250 26.421 1.00 51.12 H new ATOM 0 HA ARG A 16 0.965 -4.392 24.550 1.00 25.10 H new ATOM 0 HB2 ARG A 16 2.082 -6.133 26.800 1.00 54.14 H new ATOM 0 HB3 ARG A 16 2.991 -4.973 25.850 1.00 54.14 H new ATOM 0 HG2 ARG A 16 1.531 -3.126 26.786 1.00 70.44 H new ATOM 0 HG3 ARG A 16 0.729 -4.311 27.798 1.00 70.44 H new ATOM 0 HD2 ARG A 16 2.438 -3.194 29.134 1.00 24.12 H new ATOM 0 HD3 ARG A 16 2.936 -4.856 28.883 1.00 24.12 H new ATOM 0 HE ARG A 16 3.982 -2.748 27.038 1.00 52.31 H new ATOM 0 HH11 ARG A 16 4.649 -5.227 29.455 1.00 20.23 H new ATOM 0 HH12 ARG A 16 6.397 -5.037 29.278 1.00 20.23 H new ATOM 0 HH21 ARG A 16 6.156 -2.564 26.866 1.00 23.05 H new ATOM 0 HH22 ARG A 16 7.226 -3.569 27.849 1.00 23.05 H new ATOM 267 N LEU A 17 1.021 -6.309 22.862 1.00 42.13 N ATOM 268 CA LEU A 17 1.387 -7.277 21.800 1.00 22.51 C ATOM 269 C LEU A 17 2.731 -6.888 21.128 1.00 2.45 C ATOM 270 O LEU A 17 3.169 -5.728 21.176 1.00 24.02 O ATOM 271 CB LEU A 17 0.251 -7.361 20.730 1.00 30.34 C ATOM 272 CG LEU A 17 0.465 -8.384 19.553 1.00 20.43 C ATOM 273 CD1 LEU A 17 0.506 -9.843 20.063 1.00 63.43 C ATOM 274 CD2 LEU A 17 -0.582 -8.210 18.432 1.00 23.44 C ATOM 0 H LEU A 17 0.466 -5.521 22.528 1.00 42.13 H new ATOM 0 HA LEU A 17 1.511 -8.256 22.263 1.00 22.51 H new ATOM 0 HB2 LEU A 17 -0.678 -7.617 21.239 1.00 30.34 H new ATOM 0 HB3 LEU A 17 0.115 -6.369 20.299 1.00 30.34 H new ATOM 0 HG LEU A 17 1.439 -8.160 19.118 1.00 20.43 H new ATOM 0 HD11 LEU A 17 0.655 -10.519 19.221 1.00 63.43 H new ATOM 0 HD12 LEU A 17 1.327 -9.958 20.771 1.00 63.43 H new ATOM 0 HD13 LEU A 17 -0.435 -10.082 20.558 1.00 63.43 H new ATOM 0 HD21 LEU A 17 -0.394 -8.937 17.642 1.00 23.44 H new ATOM 0 HD22 LEU A 17 -1.581 -8.367 18.839 1.00 23.44 H new ATOM 0 HD23 LEU A 17 -0.512 -7.203 18.022 1.00 23.44 H new ATOM 286 N GLU A 18 3.374 -7.893 20.518 1.00 71.20 N ATOM 287 CA GLU A 18 4.555 -7.716 19.662 1.00 33.33 C ATOM 288 C GLU A 18 4.169 -6.926 18.386 1.00 20.45 C ATOM 289 O GLU A 18 3.345 -7.400 17.591 1.00 61.43 O ATOM 290 CB GLU A 18 5.158 -9.096 19.249 1.00 31.54 C ATOM 291 CG GLU A 18 5.653 -10.001 20.406 1.00 50.12 C ATOM 292 CD GLU A 18 4.519 -10.621 21.243 1.00 51.04 C ATOM 293 OE1 GLU A 18 3.916 -11.620 20.798 1.00 3.24 O ATOM 294 OE2 GLU A 18 4.210 -10.097 22.334 1.00 35.43 O ATOM 0 H GLU A 18 3.084 -8.867 20.607 1.00 71.20 H new ATOM 0 HA GLU A 18 5.303 -7.161 20.229 1.00 33.33 H new ATOM 0 HB2 GLU A 18 4.404 -9.644 18.684 1.00 31.54 H new ATOM 0 HB3 GLU A 18 5.994 -8.916 18.573 1.00 31.54 H new ATOM 0 HG2 GLU A 18 6.265 -10.802 19.991 1.00 50.12 H new ATOM 0 HG3 GLU A 18 6.297 -9.415 21.062 1.00 50.12 H new ATOM 301 N ALA A 19 4.737 -5.717 18.215 1.00 2.01 N ATOM 302 CA ALA A 19 4.579 -4.937 16.970 1.00 73.14 C ATOM 303 C ALA A 19 5.366 -5.628 15.835 1.00 62.14 C ATOM 304 O ALA A 19 6.586 -5.470 15.734 1.00 1.42 O ATOM 305 CB ALA A 19 5.045 -3.483 17.181 1.00 62.32 C ATOM 0 H ALA A 19 5.310 -5.258 18.923 1.00 2.01 H new ATOM 0 HA ALA A 19 3.526 -4.900 16.690 1.00 73.14 H new ATOM 0 HB1 ALA A 19 4.922 -2.923 16.254 1.00 62.32 H new ATOM 0 HB2 ALA A 19 4.448 -3.020 17.967 1.00 62.32 H new ATOM 0 HB3 ALA A 19 6.095 -3.476 17.472 1.00 62.32 H new ATOM 311 N HIS A 20 4.658 -6.455 15.037 1.00 30.41 N ATOM 312 CA HIS A 20 5.265 -7.298 13.978 1.00 1.50 C ATOM 313 C HIS A 20 5.691 -6.447 12.753 1.00 74.21 C ATOM 314 O HIS A 20 5.040 -6.452 11.699 1.00 51.21 O ATOM 315 CB HIS A 20 4.281 -8.437 13.580 1.00 32.11 C ATOM 316 CG HIS A 20 3.912 -9.345 14.732 1.00 31.22 C ATOM 317 ND1 HIS A 20 2.688 -9.308 15.365 1.00 33.41 N ATOM 318 CD2 HIS A 20 4.619 -10.311 15.367 1.00 74.30 C ATOM 319 CE1 HIS A 20 2.663 -10.204 16.327 1.00 54.15 C ATOM 320 NE2 HIS A 20 3.819 -10.826 16.352 1.00 40.00 N ATOM 0 H HIS A 20 3.646 -6.559 15.107 1.00 30.41 H new ATOM 0 HA HIS A 20 6.173 -7.755 14.371 1.00 1.50 H new ATOM 0 HB2 HIS A 20 3.373 -7.995 13.171 1.00 32.11 H new ATOM 0 HB3 HIS A 20 4.731 -9.034 12.787 1.00 32.11 H new ATOM 0 HD2 HIS A 20 5.629 -10.619 15.138 1.00 74.30 H new ATOM 0 HE1 HIS A 20 1.830 -10.396 16.987 1.00 54.15 H new ATOM 0 HE2 HIS A 20 4.079 -11.571 16.999 1.00 40.00 H new ATOM 329 N LEU A 21 6.787 -5.692 12.932 1.00 71.23 N ATOM 330 CA LEU A 21 7.337 -4.793 11.911 1.00 34.55 C ATOM 331 C LEU A 21 8.528 -5.461 11.199 1.00 2.43 C ATOM 332 O LEU A 21 9.672 -5.394 11.670 1.00 1.31 O ATOM 333 CB LEU A 21 7.739 -3.430 12.547 1.00 31.25 C ATOM 334 CG LEU A 21 6.569 -2.604 13.184 1.00 0.14 C ATOM 335 CD1 LEU A 21 7.089 -1.309 13.856 1.00 64.30 C ATOM 336 CD2 LEU A 21 5.469 -2.288 12.136 1.00 23.13 C ATOM 0 H LEU A 21 7.321 -5.691 13.801 1.00 71.23 H new ATOM 0 HA LEU A 21 6.571 -4.594 11.162 1.00 34.55 H new ATOM 0 HB2 LEU A 21 8.488 -3.616 13.316 1.00 31.25 H new ATOM 0 HB3 LEU A 21 8.215 -2.819 11.780 1.00 31.25 H new ATOM 0 HG LEU A 21 6.120 -3.220 13.963 1.00 0.14 H new ATOM 0 HD11 LEU A 21 6.251 -0.761 14.287 1.00 64.30 H new ATOM 0 HD12 LEU A 21 7.797 -1.567 14.643 1.00 64.30 H new ATOM 0 HD13 LEU A 21 7.585 -0.686 13.111 1.00 64.30 H new ATOM 0 HD21 LEU A 21 4.671 -1.714 12.608 1.00 23.13 H new ATOM 0 HD22 LEU A 21 5.900 -1.708 11.320 1.00 23.13 H new ATOM 0 HD23 LEU A 21 5.062 -3.220 11.743 1.00 23.13 H new ATOM 348 N THR A 22 8.219 -6.165 10.096 1.00 22.23 N ATOM 349 CA THR A 22 9.230 -6.750 9.189 1.00 3.35 C ATOM 350 C THR A 22 9.893 -5.644 8.337 1.00 63.31 C ATOM 351 O THR A 22 9.457 -4.495 8.364 1.00 60.33 O ATOM 352 CB THR A 22 8.596 -7.823 8.229 1.00 51.15 C ATOM 353 OG1 THR A 22 7.722 -7.190 7.274 1.00 23.10 O ATOM 354 CG2 THR A 22 7.808 -8.898 9.006 1.00 21.43 C ATOM 0 H THR A 22 7.258 -6.347 9.805 1.00 22.23 H new ATOM 0 HA THR A 22 9.979 -7.238 9.813 1.00 3.35 H new ATOM 0 HB THR A 22 9.419 -8.312 7.709 1.00 51.15 H new ATOM 0 HG1 THR A 22 7.336 -7.870 6.683 1.00 23.10 H new ATOM 0 HG21 THR A 22 7.387 -9.619 8.305 1.00 21.43 H new ATOM 0 HG22 THR A 22 8.477 -9.412 9.696 1.00 21.43 H new ATOM 0 HG23 THR A 22 7.002 -8.424 9.567 1.00 21.43 H new ATOM 362 N ARG A 23 10.930 -6.015 7.561 1.00 30.32 N ATOM 363 CA ARG A 23 11.653 -5.078 6.650 1.00 53.12 C ATOM 364 C ARG A 23 10.699 -4.380 5.640 1.00 12.42 C ATOM 365 O ARG A 23 10.946 -3.246 5.208 1.00 1.00 O ATOM 366 CB ARG A 23 12.772 -5.854 5.909 1.00 33.11 C ATOM 367 CG ARG A 23 13.854 -6.442 6.845 1.00 73.54 C ATOM 368 CD ARG A 23 14.834 -7.366 6.111 1.00 21.41 C ATOM 369 NE ARG A 23 14.152 -8.553 5.558 1.00 12.33 N ATOM 370 CZ ARG A 23 14.466 -9.170 4.445 1.00 51.42 C ATOM 371 NH1 ARG A 23 15.384 -8.713 3.651 1.00 12.33 N ATOM 372 NH2 ARG A 23 13.835 -10.244 4.116 1.00 62.21 N ATOM 0 H ARG A 23 11.296 -6.967 7.541 1.00 30.32 H new ATOM 0 HA ARG A 23 12.092 -4.285 7.255 1.00 53.12 H new ATOM 0 HB2 ARG A 23 12.321 -6.665 5.337 1.00 33.11 H new ATOM 0 HB3 ARG A 23 13.250 -5.186 5.192 1.00 33.11 H new ATOM 0 HG2 ARG A 23 14.409 -5.627 7.310 1.00 73.54 H new ATOM 0 HG3 ARG A 23 13.370 -6.997 7.649 1.00 73.54 H new ATOM 0 HD2 ARG A 23 15.319 -6.816 5.305 1.00 21.41 H new ATOM 0 HD3 ARG A 23 15.619 -7.684 6.797 1.00 21.41 H new ATOM 0 HE ARG A 23 13.366 -8.926 6.090 1.00 12.33 H new ATOM 0 HH11 ARG A 23 15.881 -7.854 3.887 1.00 12.33 H new ATOM 0 HH12 ARG A 23 15.609 -9.213 2.791 1.00 12.33 H new ATOM 0 HH21 ARG A 23 13.098 -10.608 4.720 1.00 62.21 H new ATOM 0 HH22 ARG A 23 14.073 -10.731 3.252 1.00 62.21 H new ATOM 386 N ASP A 24 9.604 -5.074 5.302 1.00 31.41 N ATOM 387 CA ASP A 24 8.533 -4.552 4.431 1.00 52.24 C ATOM 388 C ASP A 24 7.661 -3.516 5.188 1.00 22.44 C ATOM 389 O ASP A 24 7.338 -2.452 4.656 1.00 34.21 O ATOM 390 CB ASP A 24 7.663 -5.730 3.933 1.00 51.21 C ATOM 391 CG ASP A 24 8.509 -6.859 3.324 1.00 75.51 C ATOM 392 OD1 ASP A 24 8.789 -6.829 2.108 1.00 50.14 O ATOM 393 OD2 ASP A 24 8.937 -7.764 4.076 1.00 14.11 O ATOM 0 H ASP A 24 9.431 -6.025 5.628 1.00 31.41 H new ATOM 0 HA ASP A 24 8.984 -4.047 3.577 1.00 52.24 H new ATOM 0 HB2 ASP A 24 7.078 -6.124 4.764 1.00 51.21 H new ATOM 0 HB3 ASP A 24 6.955 -5.367 3.188 1.00 51.21 H new ATOM 398 N GLU A 25 7.289 -3.848 6.437 1.00 63.41 N ATOM 399 CA GLU A 25 6.461 -2.970 7.304 1.00 23.00 C ATOM 400 C GLU A 25 7.199 -1.641 7.639 1.00 75.12 C ATOM 401 O GLU A 25 6.574 -0.585 7.787 1.00 33.55 O ATOM 402 CB GLU A 25 6.098 -3.722 8.613 1.00 1.24 C ATOM 403 CG GLU A 25 5.437 -5.119 8.437 1.00 0.35 C ATOM 404 CD GLU A 25 4.029 -5.114 7.817 1.00 3.03 C ATOM 405 OE1 GLU A 25 3.275 -4.147 8.032 1.00 60.01 O ATOM 406 OE2 GLU A 25 3.648 -6.118 7.169 1.00 64.20 O ATOM 0 H GLU A 25 7.550 -4.729 6.879 1.00 63.41 H new ATOM 0 HA GLU A 25 5.550 -2.717 6.762 1.00 23.00 H new ATOM 0 HB2 GLU A 25 7.007 -3.844 9.202 1.00 1.24 H new ATOM 0 HB3 GLU A 25 5.423 -3.094 9.194 1.00 1.24 H new ATOM 0 HG2 GLU A 25 6.087 -5.733 7.813 1.00 0.35 H new ATOM 0 HG3 GLU A 25 5.383 -5.601 9.413 1.00 0.35 H new ATOM 413 N LEU A 26 8.542 -1.722 7.735 1.00 2.41 N ATOM 414 CA LEU A 26 9.420 -0.559 8.017 1.00 51.24 C ATOM 415 C LEU A 26 9.394 0.487 6.874 1.00 63.42 C ATOM 416 O LEU A 26 9.242 1.682 7.132 1.00 35.01 O ATOM 417 CB LEU A 26 10.875 -1.039 8.266 1.00 52.13 C ATOM 418 CG LEU A 26 11.088 -1.972 9.506 1.00 52.15 C ATOM 419 CD1 LEU A 26 12.541 -2.497 9.580 1.00 62.35 C ATOM 420 CD2 LEU A 26 10.676 -1.267 10.826 1.00 75.31 C ATOM 0 H LEU A 26 9.053 -2.597 7.619 1.00 2.41 H new ATOM 0 HA LEU A 26 9.036 -0.071 8.913 1.00 51.24 H new ATOM 0 HB2 LEU A 26 11.220 -1.566 7.376 1.00 52.13 H new ATOM 0 HB3 LEU A 26 11.511 -0.161 8.383 1.00 52.13 H new ATOM 0 HG LEU A 26 10.435 -2.835 9.377 1.00 52.15 H new ATOM 0 HD11 LEU A 26 12.651 -3.141 10.453 1.00 62.35 H new ATOM 0 HD12 LEU A 26 12.769 -3.066 8.678 1.00 62.35 H new ATOM 0 HD13 LEU A 26 13.228 -1.655 9.661 1.00 62.35 H new ATOM 0 HD21 LEU A 26 10.837 -1.943 11.665 1.00 75.31 H new ATOM 0 HD22 LEU A 26 11.279 -0.369 10.963 1.00 75.31 H new ATOM 0 HD23 LEU A 26 9.622 -0.992 10.778 1.00 75.31 H new ATOM 432 N ARG A 27 9.536 0.014 5.613 1.00 3.04 N ATOM 433 CA ARG A 27 9.536 0.898 4.410 1.00 63.14 C ATOM 434 C ARG A 27 8.131 1.498 4.131 1.00 45.32 C ATOM 435 O ARG A 27 8.023 2.600 3.582 1.00 22.05 O ATOM 436 CB ARG A 27 10.078 0.148 3.155 1.00 40.23 C ATOM 437 CG ARG A 27 9.198 -1.019 2.670 1.00 33.14 C ATOM 438 CD ARG A 27 9.782 -1.761 1.463 1.00 42.33 C ATOM 439 NE ARG A 27 11.098 -2.358 1.760 1.00 71.12 N ATOM 440 CZ ARG A 27 11.768 -3.145 0.951 1.00 14.15 C ATOM 441 NH1 ARG A 27 11.286 -3.499 -0.197 1.00 30.22 N ATOM 442 NH2 ARG A 27 12.932 -3.571 1.292 1.00 14.25 N ATOM 0 H ARG A 27 9.653 -0.976 5.396 1.00 3.04 H new ATOM 0 HA ARG A 27 10.209 1.728 4.626 1.00 63.14 H new ATOM 0 HB2 ARG A 27 10.188 0.864 2.341 1.00 40.23 H new ATOM 0 HB3 ARG A 27 11.073 -0.235 3.380 1.00 40.23 H new ATOM 0 HG2 ARG A 27 9.060 -1.725 3.489 1.00 33.14 H new ATOM 0 HG3 ARG A 27 8.211 -0.636 2.409 1.00 33.14 H new ATOM 0 HD2 ARG A 27 9.091 -2.545 1.151 1.00 42.33 H new ATOM 0 HD3 ARG A 27 9.879 -1.070 0.626 1.00 42.33 H new ATOM 0 HE ARG A 27 11.520 -2.143 2.663 1.00 71.12 H new ATOM 0 HH11 ARG A 27 10.367 -3.165 -0.489 1.00 30.22 H new ATOM 0 HH12 ARG A 27 11.825 -4.112 -0.809 1.00 30.22 H new ATOM 0 HH21 ARG A 27 13.333 -3.297 2.189 1.00 14.25 H new ATOM 0 HH22 ARG A 27 13.455 -4.183 0.665 1.00 14.25 H new ATOM 456 N ALA A 28 7.066 0.757 4.509 1.00 70.32 N ATOM 457 CA ALA A 28 5.673 1.258 4.447 1.00 50.12 C ATOM 458 C ALA A 28 5.471 2.443 5.411 1.00 61.34 C ATOM 459 O ALA A 28 5.013 3.513 5.010 1.00 34.44 O ATOM 460 CB ALA A 28 4.684 0.128 4.765 1.00 41.51 C ATOM 0 H ALA A 28 7.145 -0.196 4.863 1.00 70.32 H new ATOM 0 HA ALA A 28 5.482 1.612 3.434 1.00 50.12 H new ATOM 0 HB1 ALA A 28 3.665 0.512 4.715 1.00 41.51 H new ATOM 0 HB2 ALA A 28 4.805 -0.676 4.039 1.00 41.51 H new ATOM 0 HB3 ALA A 28 4.879 -0.255 5.767 1.00 41.51 H new ATOM 466 N LYS A 29 5.861 2.235 6.679 1.00 22.34 N ATOM 467 CA LYS A 29 5.778 3.266 7.735 1.00 12.03 C ATOM 468 C LYS A 29 6.725 4.470 7.429 1.00 73.53 C ATOM 469 O LYS A 29 6.452 5.606 7.832 1.00 4.50 O ATOM 470 CB LYS A 29 6.106 2.613 9.107 1.00 33.34 C ATOM 471 CG LYS A 29 5.777 3.486 10.341 1.00 43.40 C ATOM 472 CD LYS A 29 6.070 2.771 11.688 1.00 42.12 C ATOM 473 CE LYS A 29 7.563 2.435 11.885 1.00 25.42 C ATOM 474 NZ LYS A 29 8.411 3.660 11.896 1.00 14.20 N ATOM 0 H LYS A 29 6.244 1.347 7.005 1.00 22.34 H new ATOM 0 HA LYS A 29 4.765 3.668 7.767 1.00 12.03 H new ATOM 0 HB2 LYS A 29 5.556 1.675 9.187 1.00 33.34 H new ATOM 0 HB3 LYS A 29 7.167 2.363 9.129 1.00 33.34 H new ATOM 0 HG2 LYS A 29 6.357 4.408 10.292 1.00 43.40 H new ATOM 0 HG3 LYS A 29 4.725 3.769 10.308 1.00 43.40 H new ATOM 0 HD2 LYS A 29 5.735 3.405 12.509 1.00 42.12 H new ATOM 0 HD3 LYS A 29 5.487 1.851 11.738 1.00 42.12 H new ATOM 0 HE2 LYS A 29 7.693 1.895 12.823 1.00 25.42 H new ATOM 0 HE3 LYS A 29 7.894 1.771 11.086 1.00 25.42 H new ATOM 0 HZ1 LYS A 29 9.391 3.402 12.131 1.00 14.20 H new ATOM 0 HZ2 LYS A 29 8.387 4.107 10.957 1.00 14.20 H new ATOM 0 HZ3 LYS A 29 8.048 4.327 12.607 1.00 14.20 H new ATOM 488 N ALA A 30 7.822 4.199 6.688 1.00 1.02 N ATOM 489 CA ALA A 30 8.766 5.238 6.205 1.00 14.03 C ATOM 490 C ALA A 30 8.110 6.146 5.136 1.00 51.52 C ATOM 491 O ALA A 30 8.322 7.359 5.125 1.00 10.04 O ATOM 492 CB ALA A 30 10.042 4.584 5.650 1.00 43.51 C ATOM 0 H ALA A 30 8.080 3.253 6.406 1.00 1.02 H new ATOM 0 HA ALA A 30 9.034 5.868 7.053 1.00 14.03 H new ATOM 0 HB1 ALA A 30 10.725 5.358 5.300 1.00 43.51 H new ATOM 0 HB2 ALA A 30 10.525 4.003 6.436 1.00 43.51 H new ATOM 0 HB3 ALA A 30 9.783 3.926 4.820 1.00 43.51 H new ATOM 498 N LEU A 31 7.300 5.536 4.243 1.00 32.12 N ATOM 499 CA LEU A 31 6.488 6.274 3.236 1.00 22.53 C ATOM 500 C LEU A 31 5.105 6.704 3.800 1.00 30.34 C ATOM 501 O LEU A 31 4.231 7.129 3.038 1.00 52.12 O ATOM 502 CB LEU A 31 6.330 5.419 1.943 1.00 41.43 C ATOM 503 CG LEU A 31 7.633 5.237 1.088 1.00 41.52 C ATOM 504 CD1 LEU A 31 7.375 4.359 -0.149 1.00 60.14 C ATOM 505 CD2 LEU A 31 8.229 6.607 0.666 1.00 14.30 C ATOM 0 H LEU A 31 7.187 4.523 4.195 1.00 32.12 H new ATOM 0 HA LEU A 31 7.021 7.191 2.986 1.00 22.53 H new ATOM 0 HB2 LEU A 31 5.960 4.433 2.224 1.00 41.43 H new ATOM 0 HB3 LEU A 31 5.566 5.879 1.316 1.00 41.43 H new ATOM 0 HG LEU A 31 8.363 4.729 1.719 1.00 41.52 H new ATOM 0 HD11 LEU A 31 8.298 4.253 -0.719 1.00 60.14 H new ATOM 0 HD12 LEU A 31 7.030 3.375 0.169 1.00 60.14 H new ATOM 0 HD13 LEU A 31 6.614 4.826 -0.774 1.00 60.14 H new ATOM 0 HD21 LEU A 31 9.131 6.445 0.075 1.00 14.30 H new ATOM 0 HD22 LEU A 31 7.498 7.154 0.070 1.00 14.30 H new ATOM 0 HD23 LEU A 31 8.477 7.185 1.556 1.00 14.30 H new ATOM 517 N HIS A 32 4.937 6.591 5.141 1.00 71.51 N ATOM 518 CA HIS A 32 3.774 7.133 5.888 1.00 61.33 C ATOM 519 C HIS A 32 2.430 6.463 5.463 1.00 20.55 C ATOM 520 O HIS A 32 1.368 7.091 5.477 1.00 64.41 O ATOM 521 CB HIS A 32 3.752 8.693 5.752 1.00 31.12 C ATOM 522 CG HIS A 32 2.774 9.434 6.644 1.00 5.31 C ATOM 523 ND1 HIS A 32 2.143 10.600 6.264 1.00 14.32 N ATOM 524 CD2 HIS A 32 2.346 9.185 7.903 1.00 33.35 C ATOM 525 CE1 HIS A 32 1.384 11.028 7.245 1.00 33.13 C ATOM 526 NE2 HIS A 32 1.487 10.188 8.252 1.00 63.53 N ATOM 0 H HIS A 32 5.612 6.116 5.740 1.00 71.51 H new ATOM 0 HA HIS A 32 3.886 6.886 6.944 1.00 61.33 H new ATOM 0 HB2 HIS A 32 4.754 9.068 5.958 1.00 31.12 H new ATOM 0 HB3 HIS A 32 3.525 8.942 4.715 1.00 31.12 H new ATOM 0 HD2 HIS A 32 2.632 8.346 8.520 1.00 33.35 H new ATOM 0 HE1 HIS A 32 0.776 11.921 7.228 1.00 33.13 H new ATOM 0 HE2 HIS A 32 1.005 10.272 9.147 1.00 63.53 H new ATOM 535 N ILE A 33 2.493 5.162 5.118 1.00 31.14 N ATOM 536 CA ILE A 33 1.289 4.350 4.821 1.00 53.42 C ATOM 537 C ILE A 33 0.529 4.045 6.150 1.00 23.03 C ATOM 538 O ILE A 33 1.066 3.339 7.012 1.00 31.34 O ATOM 539 CB ILE A 33 1.658 3.000 4.083 1.00 70.03 C ATOM 540 CG1 ILE A 33 2.551 3.272 2.820 1.00 63.20 C ATOM 541 CG2 ILE A 33 0.382 2.210 3.694 1.00 13.34 C ATOM 542 CD1 ILE A 33 1.898 4.124 1.741 1.00 11.01 C ATOM 0 H ILE A 33 3.369 4.646 5.037 1.00 31.14 H new ATOM 0 HA ILE A 33 0.649 4.924 4.151 1.00 53.42 H new ATOM 0 HB ILE A 33 2.234 2.389 4.778 1.00 70.03 H new ATOM 0 HG12 ILE A 33 3.470 3.762 3.142 1.00 63.20 H new ATOM 0 HG13 ILE A 33 2.837 2.315 2.383 1.00 63.20 H new ATOM 0 HG21 ILE A 33 0.666 1.287 3.188 1.00 13.34 H new ATOM 0 HG22 ILE A 33 -0.186 1.972 4.593 1.00 13.34 H new ATOM 0 HG23 ILE A 33 -0.231 2.815 3.027 1.00 13.34 H new ATOM 0 HD11 ILE A 33 2.593 4.256 0.911 1.00 11.01 H new ATOM 0 HD12 ILE A 33 0.995 3.629 1.383 1.00 11.01 H new ATOM 0 HD13 ILE A 33 1.638 5.098 2.155 1.00 11.01 H new ATOM 554 N PRO A 34 -0.730 4.587 6.344 1.00 72.54 N ATOM 555 CA PRO A 34 -1.484 4.453 7.633 1.00 3.14 C ATOM 556 C PRO A 34 -2.072 3.032 7.898 1.00 73.41 C ATOM 557 O PRO A 34 -2.824 2.839 8.860 1.00 71.12 O ATOM 558 CB PRO A 34 -2.605 5.523 7.478 1.00 72.41 C ATOM 559 CG PRO A 34 -2.851 5.608 6.002 1.00 61.05 C ATOM 560 CD PRO A 34 -1.503 5.386 5.341 1.00 70.25 C ATOM 0 HA PRO A 34 -0.835 4.600 8.496 1.00 3.14 H new ATOM 0 HB2 PRO A 34 -3.508 5.230 8.013 1.00 72.41 H new ATOM 0 HB3 PRO A 34 -2.292 6.485 7.883 1.00 72.41 H new ATOM 0 HG2 PRO A 34 -3.571 4.855 5.682 1.00 61.05 H new ATOM 0 HG3 PRO A 34 -3.264 6.580 5.730 1.00 61.05 H new ATOM 0 HD2 PRO A 34 -1.605 4.849 4.398 1.00 70.25 H new ATOM 0 HD3 PRO A 34 -1.008 6.331 5.118 1.00 70.25 H new ATOM 568 N PHE A 35 -1.724 2.050 7.043 1.00 35.04 N ATOM 569 CA PHE A 35 -2.152 0.633 7.176 1.00 33.14 C ATOM 570 C PHE A 35 -0.966 -0.331 6.875 1.00 41.11 C ATOM 571 O PHE A 35 -0.124 -0.019 6.029 1.00 64.42 O ATOM 572 CB PHE A 35 -3.399 0.325 6.275 1.00 24.52 C ATOM 573 CG PHE A 35 -3.415 0.966 4.884 1.00 11.21 C ATOM 574 CD1 PHE A 35 -3.757 2.306 4.727 1.00 20.12 C ATOM 575 CD2 PHE A 35 -3.107 0.234 3.739 1.00 75.34 C ATOM 576 CE1 PHE A 35 -3.788 2.893 3.484 1.00 21.34 C ATOM 577 CE2 PHE A 35 -3.138 0.824 2.491 1.00 54.24 C ATOM 578 CZ PHE A 35 -3.475 2.157 2.364 1.00 23.32 C ATOM 0 H PHE A 35 -1.131 2.215 6.230 1.00 35.04 H new ATOM 0 HA PHE A 35 -2.459 0.466 8.209 1.00 33.14 H new ATOM 0 HB2 PHE A 35 -3.473 -0.756 6.153 1.00 24.52 H new ATOM 0 HB3 PHE A 35 -4.293 0.647 6.809 1.00 24.52 H new ATOM 0 HD1 PHE A 35 -4.003 2.896 5.598 1.00 20.12 H new ATOM 0 HD2 PHE A 35 -2.840 -0.809 3.829 1.00 75.34 H new ATOM 0 HE1 PHE A 35 -4.059 3.934 3.386 1.00 21.34 H new ATOM 0 HE2 PHE A 35 -2.898 0.242 1.613 1.00 54.24 H new ATOM 0 HZ PHE A 35 -3.493 2.621 1.389 1.00 23.32 H new ATOM 588 N PRO A 36 -0.879 -1.525 7.576 1.00 63.42 N ATOM 589 CA PRO A 36 0.273 -2.467 7.439 1.00 44.31 C ATOM 590 C PRO A 36 0.345 -3.143 6.042 1.00 54.51 C ATOM 591 O PRO A 36 -0.688 -3.308 5.382 1.00 43.23 O ATOM 592 CB PRO A 36 0.004 -3.512 8.561 1.00 14.44 C ATOM 593 CG PRO A 36 -1.480 -3.500 8.735 1.00 4.24 C ATOM 594 CD PRO A 36 -1.887 -2.054 8.547 1.00 10.31 C ATOM 0 HA PRO A 36 1.232 -1.958 7.532 1.00 44.31 H new ATOM 0 HB2 PRO A 36 0.362 -4.501 8.276 1.00 14.44 H new ATOM 0 HB3 PRO A 36 0.514 -3.242 9.486 1.00 14.44 H new ATOM 0 HG2 PRO A 36 -1.968 -4.145 8.004 1.00 4.24 H new ATOM 0 HG3 PRO A 36 -1.764 -3.864 9.722 1.00 4.24 H new ATOM 0 HD2 PRO A 36 -2.901 -1.971 8.156 1.00 10.31 H new ATOM 0 HD3 PRO A 36 -1.862 -1.505 9.489 1.00 10.31 H new ATOM 602 N VAL A 37 1.573 -3.551 5.631 1.00 44.42 N ATOM 603 CA VAL A 37 1.857 -4.185 4.308 1.00 31.11 C ATOM 604 C VAL A 37 0.931 -5.380 4.014 1.00 12.20 C ATOM 605 O VAL A 37 0.495 -5.552 2.876 1.00 0.32 O ATOM 606 CB VAL A 37 3.370 -4.629 4.205 1.00 12.31 C ATOM 607 CG1 VAL A 37 3.681 -5.515 2.969 1.00 20.24 C ATOM 608 CG2 VAL A 37 4.282 -3.393 4.229 1.00 24.43 C ATOM 0 H VAL A 37 2.406 -3.450 6.212 1.00 44.42 H new ATOM 0 HA VAL A 37 1.657 -3.425 3.552 1.00 31.11 H new ATOM 0 HB VAL A 37 3.569 -5.255 5.075 1.00 12.31 H new ATOM 0 HG11 VAL A 37 4.739 -5.779 2.968 1.00 20.24 H new ATOM 0 HG12 VAL A 37 3.080 -6.423 3.012 1.00 20.24 H new ATOM 0 HG13 VAL A 37 3.443 -4.965 2.058 1.00 20.24 H new ATOM 0 HG21 VAL A 37 5.323 -3.708 4.158 1.00 24.43 H new ATOM 0 HG22 VAL A 37 4.040 -2.746 3.386 1.00 24.43 H new ATOM 0 HG23 VAL A 37 4.131 -2.847 5.160 1.00 24.43 H new ATOM 618 N GLU A 38 0.624 -6.170 5.060 1.00 13.21 N ATOM 619 CA GLU A 38 -0.329 -7.300 4.977 1.00 4.02 C ATOM 620 C GLU A 38 -1.695 -6.874 4.362 1.00 71.03 C ATOM 621 O GLU A 38 -2.241 -7.578 3.509 1.00 54.45 O ATOM 622 CB GLU A 38 -0.548 -7.915 6.384 1.00 44.41 C ATOM 623 CG GLU A 38 -1.513 -9.126 6.399 1.00 62.01 C ATOM 624 CD GLU A 38 -1.740 -9.731 7.792 1.00 13.32 C ATOM 625 OE1 GLU A 38 -2.398 -9.077 8.630 1.00 54.30 O ATOM 626 OE2 GLU A 38 -1.278 -10.865 8.051 1.00 31.44 O ATOM 0 H GLU A 38 1.028 -6.045 5.988 1.00 13.21 H new ATOM 0 HA GLU A 38 0.108 -8.047 4.314 1.00 4.02 H new ATOM 0 HB2 GLU A 38 0.416 -8.226 6.787 1.00 44.41 H new ATOM 0 HB3 GLU A 38 -0.938 -7.145 7.049 1.00 44.41 H new ATOM 0 HG2 GLU A 38 -2.474 -8.816 5.989 1.00 62.01 H new ATOM 0 HG3 GLU A 38 -1.119 -9.899 5.739 1.00 62.01 H new ATOM 633 N LYS A 39 -2.212 -5.700 4.786 1.00 11.30 N ATOM 634 CA LYS A 39 -3.490 -5.158 4.272 1.00 10.23 C ATOM 635 C LYS A 39 -3.383 -4.752 2.782 1.00 72.35 C ATOM 636 O LYS A 39 -4.306 -5.023 2.014 1.00 4.35 O ATOM 637 CB LYS A 39 -3.980 -3.963 5.125 1.00 14.32 C ATOM 638 CG LYS A 39 -5.380 -3.441 4.703 1.00 74.45 C ATOM 639 CD LYS A 39 -5.908 -2.298 5.595 1.00 32.11 C ATOM 640 CE LYS A 39 -7.269 -1.762 5.113 1.00 55.33 C ATOM 641 NZ LYS A 39 -7.778 -0.670 5.979 1.00 43.34 N ATOM 0 H LYS A 39 -1.763 -5.108 5.485 1.00 11.30 H new ATOM 0 HA LYS A 39 -4.227 -5.957 4.349 1.00 10.23 H new ATOM 0 HB2 LYS A 39 -4.012 -4.262 6.173 1.00 14.32 H new ATOM 0 HB3 LYS A 39 -3.258 -3.150 5.048 1.00 14.32 H new ATOM 0 HG2 LYS A 39 -5.333 -3.093 3.671 1.00 74.45 H new ATOM 0 HG3 LYS A 39 -6.090 -4.268 4.728 1.00 74.45 H new ATOM 0 HD2 LYS A 39 -6.003 -2.655 6.621 1.00 32.11 H new ATOM 0 HD3 LYS A 39 -5.183 -1.484 5.606 1.00 32.11 H new ATOM 0 HE2 LYS A 39 -7.173 -1.398 4.090 1.00 55.33 H new ATOM 0 HE3 LYS A 39 -7.993 -2.577 5.095 1.00 55.33 H new ATOM 0 HZ1 LYS A 39 -8.696 -0.340 5.618 1.00 43.34 H new ATOM 0 HZ2 LYS A 39 -7.895 -1.023 6.950 1.00 43.34 H new ATOM 0 HZ3 LYS A 39 -7.101 0.119 5.977 1.00 43.34 H new ATOM 655 N ILE A 40 -2.254 -4.116 2.382 1.00 13.52 N ATOM 656 CA ILE A 40 -1.993 -3.777 0.952 1.00 51.42 C ATOM 657 C ILE A 40 -2.003 -5.066 0.078 1.00 44.44 C ATOM 658 O ILE A 40 -2.633 -5.090 -0.982 1.00 75.04 O ATOM 659 CB ILE A 40 -0.637 -2.980 0.722 1.00 3.34 C ATOM 660 CG1 ILE A 40 -0.646 -1.554 1.393 1.00 63.40 C ATOM 661 CG2 ILE A 40 -0.304 -2.847 -0.786 1.00 62.21 C ATOM 662 CD1 ILE A 40 -0.214 -1.523 2.840 1.00 71.15 C ATOM 0 H ILE A 40 -1.512 -3.828 3.020 1.00 13.52 H new ATOM 0 HA ILE A 40 -2.801 -3.111 0.649 1.00 51.42 H new ATOM 0 HB ILE A 40 0.140 -3.570 1.208 1.00 3.34 H new ATOM 0 HG12 ILE A 40 0.008 -0.896 0.821 1.00 63.40 H new ATOM 0 HG13 ILE A 40 -1.653 -1.143 1.322 1.00 63.40 H new ATOM 0 HG21 ILE A 40 0.629 -2.297 -0.905 1.00 62.21 H new ATOM 0 HG22 ILE A 40 -0.199 -3.839 -1.224 1.00 62.21 H new ATOM 0 HG23 ILE A 40 -1.108 -2.311 -1.290 1.00 62.21 H new ATOM 0 HD11 ILE A 40 -0.254 -0.498 3.210 1.00 71.15 H new ATOM 0 HD12 ILE A 40 -0.881 -2.149 3.432 1.00 71.15 H new ATOM 0 HD13 ILE A 40 0.806 -1.899 2.923 1.00 71.15 H new ATOM 674 N ILE A 41 -1.318 -6.132 0.564 1.00 60.02 N ATOM 675 CA ILE A 41 -1.304 -7.477 -0.082 1.00 14.45 C ATOM 676 C ILE A 41 -2.746 -7.996 -0.353 1.00 45.00 C ATOM 677 O ILE A 41 -3.022 -8.558 -1.416 1.00 62.41 O ATOM 678 CB ILE A 41 -0.546 -8.532 0.826 1.00 12.32 C ATOM 679 CG1 ILE A 41 0.948 -8.127 1.051 1.00 51.54 C ATOM 680 CG2 ILE A 41 -0.643 -9.977 0.256 1.00 70.22 C ATOM 681 CD1 ILE A 41 1.690 -8.975 2.071 1.00 2.22 C ATOM 0 H ILE A 41 -0.758 -6.087 1.415 1.00 60.02 H new ATOM 0 HA ILE A 41 -0.781 -7.365 -1.032 1.00 14.45 H new ATOM 0 HB ILE A 41 -1.050 -8.527 1.793 1.00 12.32 H new ATOM 0 HG12 ILE A 41 1.474 -8.187 0.098 1.00 51.54 H new ATOM 0 HG13 ILE A 41 0.984 -7.085 1.370 1.00 51.54 H new ATOM 0 HG21 ILE A 41 -0.109 -10.664 0.912 1.00 70.22 H new ATOM 0 HG22 ILE A 41 -1.690 -10.274 0.195 1.00 70.22 H new ATOM 0 HG23 ILE A 41 -0.199 -10.006 -0.739 1.00 70.22 H new ATOM 0 HD11 ILE A 41 2.717 -8.621 2.160 1.00 2.22 H new ATOM 0 HD12 ILE A 41 1.194 -8.897 3.039 1.00 2.22 H new ATOM 0 HD13 ILE A 41 1.692 -10.016 1.747 1.00 2.22 H new ATOM 693 N ASN A 42 -3.641 -7.775 0.626 1.00 44.25 N ATOM 694 CA ASN A 42 -5.035 -8.274 0.598 1.00 55.42 C ATOM 695 C ASN A 42 -5.942 -7.451 -0.349 1.00 11.03 C ATOM 696 O ASN A 42 -6.753 -8.027 -1.082 1.00 10.13 O ATOM 697 CB ASN A 42 -5.617 -8.264 2.036 1.00 41.33 C ATOM 698 CG ASN A 42 -4.867 -9.196 2.991 1.00 73.41 C ATOM 699 OD1 ASN A 42 -4.374 -10.243 2.595 1.00 53.44 O ATOM 700 ND2 ASN A 42 -4.754 -8.818 4.251 1.00 35.22 N ATOM 0 H ASN A 42 -3.420 -7.242 1.467 1.00 44.25 H new ATOM 0 HA ASN A 42 -5.012 -9.292 0.209 1.00 55.42 H new ATOM 0 HB2 ASN A 42 -5.584 -7.248 2.428 1.00 41.33 H new ATOM 0 HB3 ASN A 42 -6.666 -8.558 2.000 1.00 41.33 H new ATOM 0 HD21 ASN A 42 -4.248 -9.403 4.916 1.00 35.22 H new ATOM 0 HD22 ASN A 42 -5.173 -7.941 4.560 1.00 35.22 H new ATOM 707 N LEU A 43 -5.780 -6.116 -0.329 1.00 45.15 N ATOM 708 CA LEU A 43 -6.627 -5.180 -1.107 1.00 23.35 C ATOM 709 C LEU A 43 -6.365 -5.286 -2.639 1.00 4.04 C ATOM 710 O LEU A 43 -5.251 -5.005 -3.096 1.00 30.03 O ATOM 711 CB LEU A 43 -6.388 -3.717 -0.626 1.00 11.41 C ATOM 712 CG LEU A 43 -6.822 -3.401 0.844 1.00 11.14 C ATOM 713 CD1 LEU A 43 -6.380 -1.980 1.275 1.00 10.15 C ATOM 714 CD2 LEU A 43 -8.347 -3.603 1.040 1.00 11.23 C ATOM 0 H LEU A 43 -5.060 -5.651 0.225 1.00 45.15 H new ATOM 0 HA LEU A 43 -7.666 -5.459 -0.932 1.00 23.35 H new ATOM 0 HB2 LEU A 43 -5.327 -3.491 -0.728 1.00 11.41 H new ATOM 0 HB3 LEU A 43 -6.923 -3.043 -1.295 1.00 11.41 H new ATOM 0 HG LEU A 43 -6.311 -4.112 1.494 1.00 11.14 H new ATOM 0 HD11 LEU A 43 -6.698 -1.795 2.301 1.00 10.15 H new ATOM 0 HD12 LEU A 43 -5.295 -1.902 1.212 1.00 10.15 H new ATOM 0 HD13 LEU A 43 -6.836 -1.242 0.615 1.00 10.15 H new ATOM 0 HD21 LEU A 43 -8.615 -3.375 2.072 1.00 11.23 H new ATOM 0 HD22 LEU A 43 -8.891 -2.939 0.369 1.00 11.23 H new ATOM 0 HD23 LEU A 43 -8.609 -4.637 0.817 1.00 11.23 H new ATOM 726 N PRO A 44 -7.385 -5.716 -3.464 1.00 45.24 N ATOM 727 CA PRO A 44 -7.303 -5.650 -4.947 1.00 33.24 C ATOM 728 C PRO A 44 -7.396 -4.187 -5.461 1.00 71.01 C ATOM 729 O PRO A 44 -7.778 -3.286 -4.708 1.00 52.32 O ATOM 730 CB PRO A 44 -8.514 -6.513 -5.426 1.00 73.22 C ATOM 731 CG PRO A 44 -8.986 -7.239 -4.197 1.00 31.42 C ATOM 732 CD PRO A 44 -8.673 -6.318 -3.041 1.00 44.12 C ATOM 0 HA PRO A 44 -6.352 -6.019 -5.332 1.00 33.24 H new ATOM 0 HB2 PRO A 44 -9.304 -5.888 -5.843 1.00 73.22 H new ATOM 0 HB3 PRO A 44 -8.216 -7.212 -6.207 1.00 73.22 H new ATOM 0 HG2 PRO A 44 -10.054 -7.451 -4.252 1.00 31.42 H new ATOM 0 HG3 PRO A 44 -8.476 -8.196 -4.086 1.00 31.42 H new ATOM 0 HD2 PRO A 44 -9.448 -5.565 -2.899 1.00 44.12 H new ATOM 0 HD3 PRO A 44 -8.580 -6.861 -2.101 1.00 44.12 H new ATOM 740 N VAL A 45 -7.071 -3.969 -6.746 1.00 51.12 N ATOM 741 CA VAL A 45 -6.972 -2.610 -7.342 1.00 32.14 C ATOM 742 C VAL A 45 -8.325 -1.852 -7.342 1.00 70.51 C ATOM 743 O VAL A 45 -8.354 -0.674 -7.000 1.00 11.14 O ATOM 744 CB VAL A 45 -6.356 -2.661 -8.797 1.00 34.11 C ATOM 745 CG1 VAL A 45 -6.332 -1.261 -9.476 1.00 21.12 C ATOM 746 CG2 VAL A 45 -4.932 -3.276 -8.754 1.00 64.13 C ATOM 0 H VAL A 45 -6.869 -4.721 -7.405 1.00 51.12 H new ATOM 0 HA VAL A 45 -6.294 -2.046 -6.701 1.00 32.14 H new ATOM 0 HB VAL A 45 -7.001 -3.296 -9.404 1.00 34.11 H new ATOM 0 HG11 VAL A 45 -5.900 -1.348 -10.473 1.00 21.12 H new ATOM 0 HG12 VAL A 45 -7.349 -0.877 -9.553 1.00 21.12 H new ATOM 0 HG13 VAL A 45 -5.730 -0.577 -8.878 1.00 21.12 H new ATOM 0 HG21 VAL A 45 -4.518 -3.306 -9.762 1.00 64.13 H new ATOM 0 HG22 VAL A 45 -4.292 -2.666 -8.117 1.00 64.13 H new ATOM 0 HG23 VAL A 45 -4.985 -4.288 -8.353 1.00 64.13 H new ATOM 756 N VAL A 46 -9.430 -2.535 -7.695 1.00 0.30 N ATOM 757 CA VAL A 46 -10.789 -1.915 -7.716 1.00 63.12 C ATOM 758 C VAL A 46 -11.210 -1.413 -6.301 1.00 53.42 C ATOM 759 O VAL A 46 -11.595 -0.249 -6.130 1.00 20.54 O ATOM 760 CB VAL A 46 -11.874 -2.912 -8.279 1.00 21.01 C ATOM 761 CG1 VAL A 46 -13.296 -2.289 -8.278 1.00 3.22 C ATOM 762 CG2 VAL A 46 -11.492 -3.401 -9.698 1.00 44.44 C ATOM 0 H VAL A 46 -9.419 -3.517 -7.971 1.00 0.30 H new ATOM 0 HA VAL A 46 -10.732 -1.056 -8.385 1.00 63.12 H new ATOM 0 HB VAL A 46 -11.896 -3.772 -7.610 1.00 21.01 H new ATOM 0 HG11 VAL A 46 -14.010 -3.011 -8.674 1.00 3.22 H new ATOM 0 HG12 VAL A 46 -13.576 -2.023 -7.259 1.00 3.22 H new ATOM 0 HG13 VAL A 46 -13.302 -1.394 -8.901 1.00 3.22 H new ATOM 0 HG21 VAL A 46 -12.256 -4.087 -10.064 1.00 44.44 H new ATOM 0 HG22 VAL A 46 -11.420 -2.546 -10.370 1.00 44.44 H new ATOM 0 HG23 VAL A 46 -10.531 -3.914 -9.660 1.00 44.44 H new ATOM 772 N ASP A 47 -11.094 -2.310 -5.301 1.00 2.52 N ATOM 773 CA ASP A 47 -11.386 -1.993 -3.879 1.00 4.12 C ATOM 774 C ASP A 47 -10.466 -0.867 -3.337 1.00 31.51 C ATOM 775 O ASP A 47 -10.895 -0.017 -2.541 1.00 53.53 O ATOM 776 CB ASP A 47 -11.227 -3.272 -3.018 1.00 61.15 C ATOM 777 CG ASP A 47 -12.148 -4.411 -3.484 1.00 33.02 C ATOM 778 OD1 ASP A 47 -11.797 -5.112 -4.455 1.00 62.40 O ATOM 779 OD2 ASP A 47 -13.243 -4.590 -2.905 1.00 1.23 O ATOM 0 H ASP A 47 -10.796 -3.274 -5.451 1.00 2.52 H new ATOM 0 HA ASP A 47 -12.413 -1.633 -3.819 1.00 4.12 H new ATOM 0 HB2 ASP A 47 -10.191 -3.607 -3.058 1.00 61.15 H new ATOM 0 HB3 ASP A 47 -11.445 -3.035 -1.977 1.00 61.15 H new ATOM 784 N PHE A 48 -9.205 -0.871 -3.796 1.00 43.45 N ATOM 785 CA PHE A 48 -8.201 0.132 -3.393 1.00 32.05 C ATOM 786 C PHE A 48 -8.482 1.511 -4.041 1.00 4.50 C ATOM 787 O PHE A 48 -8.205 2.553 -3.441 1.00 60.34 O ATOM 788 CB PHE A 48 -6.763 -0.353 -3.721 1.00 52.23 C ATOM 789 CG PHE A 48 -5.709 0.429 -2.942 1.00 63.34 C ATOM 790 CD1 PHE A 48 -5.513 0.154 -1.588 1.00 13.22 C ATOM 791 CD2 PHE A 48 -4.973 1.467 -3.520 1.00 50.23 C ATOM 792 CE1 PHE A 48 -4.613 0.874 -0.840 1.00 63.12 C ATOM 793 CE2 PHE A 48 -4.075 2.198 -2.761 1.00 21.41 C ATOM 794 CZ PHE A 48 -3.896 1.895 -1.418 1.00 72.51 C ATOM 0 H PHE A 48 -8.851 -1.565 -4.454 1.00 43.45 H new ATOM 0 HA PHE A 48 -8.278 0.254 -2.313 1.00 32.05 H new ATOM 0 HB2 PHE A 48 -6.675 -1.414 -3.487 1.00 52.23 H new ATOM 0 HB3 PHE A 48 -6.578 -0.246 -4.790 1.00 52.23 H new ATOM 0 HD1 PHE A 48 -6.078 -0.638 -1.120 1.00 13.22 H new ATOM 0 HD2 PHE A 48 -5.106 1.701 -4.566 1.00 50.23 H new ATOM 0 HE1 PHE A 48 -4.468 0.638 0.204 1.00 63.12 H new ATOM 0 HE2 PHE A 48 -3.514 3.003 -3.213 1.00 21.41 H new ATOM 0 HZ PHE A 48 -3.193 2.462 -0.826 1.00 72.51 H new ATOM 804 N ASN A 49 -9.018 1.502 -5.279 1.00 1.33 N ATOM 805 CA ASN A 49 -9.402 2.736 -6.003 1.00 3.32 C ATOM 806 C ASN A 49 -10.583 3.450 -5.310 1.00 0.15 C ATOM 807 O ASN A 49 -10.686 4.672 -5.380 1.00 43.31 O ATOM 808 CB ASN A 49 -9.725 2.438 -7.498 1.00 51.43 C ATOM 809 CG ASN A 49 -8.488 2.306 -8.401 1.00 2.24 C ATOM 810 OD1 ASN A 49 -8.525 2.666 -9.570 1.00 71.01 O ATOM 811 ND2 ASN A 49 -7.388 1.776 -7.889 1.00 14.20 N ATOM 0 H ASN A 49 -9.197 0.646 -5.804 1.00 1.33 H new ATOM 0 HA ASN A 49 -8.546 3.411 -5.977 1.00 3.32 H new ATOM 0 HB2 ASN A 49 -10.302 1.515 -7.555 1.00 51.43 H new ATOM 0 HB3 ASN A 49 -10.359 3.235 -7.886 1.00 51.43 H new ATOM 0 HD21 ASN A 49 -6.558 1.664 -8.471 1.00 14.20 H new ATOM 0 HD22 ASN A 49 -7.371 1.480 -6.913 1.00 14.20 H new ATOM 818 N GLU A 50 -11.457 2.670 -4.644 1.00 0.30 N ATOM 819 CA GLU A 50 -12.534 3.218 -3.790 1.00 75.13 C ATOM 820 C GLU A 50 -11.946 3.919 -2.532 1.00 34.05 C ATOM 821 O GLU A 50 -12.433 4.982 -2.120 1.00 54.43 O ATOM 822 CB GLU A 50 -13.519 2.087 -3.390 1.00 14.42 C ATOM 823 CG GLU A 50 -14.719 2.548 -2.528 1.00 2.11 C ATOM 824 CD GLU A 50 -15.719 1.423 -2.214 1.00 42.55 C ATOM 825 OE1 GLU A 50 -15.329 0.444 -1.547 1.00 54.51 O ATOM 826 OE2 GLU A 50 -16.897 1.510 -2.635 1.00 33.32 O ATOM 0 H GLU A 50 -11.439 1.651 -4.681 1.00 0.30 H new ATOM 0 HA GLU A 50 -13.081 3.971 -4.358 1.00 75.13 H new ATOM 0 HB2 GLU A 50 -13.900 1.618 -4.297 1.00 14.42 H new ATOM 0 HB3 GLU A 50 -12.969 1.322 -2.843 1.00 14.42 H new ATOM 0 HG2 GLU A 50 -14.345 2.962 -1.592 1.00 2.11 H new ATOM 0 HG3 GLU A 50 -15.241 3.352 -3.047 1.00 2.11 H new ATOM 833 N MET A 51 -10.890 3.316 -1.941 1.00 13.14 N ATOM 834 CA MET A 51 -10.153 3.907 -0.792 1.00 15.14 C ATOM 835 C MET A 51 -9.520 5.278 -1.167 1.00 3.21 C ATOM 836 O MET A 51 -9.782 6.296 -0.509 1.00 13.04 O ATOM 837 CB MET A 51 -9.062 2.916 -0.280 1.00 21.33 C ATOM 838 CG MET A 51 -8.141 3.475 0.824 1.00 53.44 C ATOM 839 SD MET A 51 -9.057 4.009 2.287 1.00 21.13 S ATOM 840 CE MET A 51 -7.796 4.872 3.225 1.00 2.24 C ATOM 0 H MET A 51 -10.524 2.413 -2.241 1.00 13.14 H new ATOM 0 HA MET A 51 -10.868 4.084 0.011 1.00 15.14 H new ATOM 0 HB2 MET A 51 -9.555 2.020 0.098 1.00 21.33 H new ATOM 0 HB3 MET A 51 -8.446 2.609 -1.125 1.00 21.33 H new ATOM 0 HG2 MET A 51 -7.418 2.711 1.111 1.00 53.44 H new ATOM 0 HG3 MET A 51 -7.574 4.317 0.427 1.00 53.44 H new ATOM 0 HE1 MET A 51 -8.227 5.252 4.151 1.00 2.24 H new ATOM 0 HE2 MET A 51 -6.982 4.185 3.459 1.00 2.24 H new ATOM 0 HE3 MET A 51 -7.410 5.704 2.636 1.00 2.24 H new ATOM 850 N MET A 52 -8.714 5.289 -2.253 1.00 50.21 N ATOM 851 CA MET A 52 -7.993 6.507 -2.708 1.00 12.05 C ATOM 852 C MET A 52 -8.938 7.530 -3.387 1.00 35.41 C ATOM 853 O MET A 52 -8.561 8.689 -3.567 1.00 54.21 O ATOM 854 CB MET A 52 -6.793 6.124 -3.630 1.00 24.23 C ATOM 855 CG MET A 52 -7.155 5.595 -5.030 1.00 64.55 C ATOM 856 SD MET A 52 -7.679 6.902 -6.164 1.00 50.21 S ATOM 857 CE MET A 52 -8.108 5.998 -7.645 1.00 63.15 C ATOM 0 H MET A 52 -8.544 4.468 -2.834 1.00 50.21 H new ATOM 0 HA MET A 52 -7.594 7.002 -1.823 1.00 12.05 H new ATOM 0 HB2 MET A 52 -6.158 7.002 -3.749 1.00 24.23 H new ATOM 0 HB3 MET A 52 -6.197 5.366 -3.121 1.00 24.23 H new ATOM 0 HG2 MET A 52 -6.292 5.079 -5.452 1.00 64.55 H new ATOM 0 HG3 MET A 52 -7.953 4.859 -4.939 1.00 64.55 H new ATOM 0 HE1 MET A 52 -8.444 6.695 -8.412 1.00 63.15 H new ATOM 0 HE2 MET A 52 -7.234 5.455 -8.006 1.00 63.15 H new ATOM 0 HE3 MET A 52 -8.907 5.292 -7.421 1.00 63.15 H new ATOM 867 N SER A 53 -10.161 7.083 -3.777 1.00 10.01 N ATOM 868 CA SER A 53 -11.230 7.984 -4.290 1.00 51.33 C ATOM 869 C SER A 53 -11.594 9.037 -3.238 1.00 54.20 C ATOM 870 O SER A 53 -11.620 10.247 -3.508 1.00 41.14 O ATOM 871 CB SER A 53 -12.513 7.196 -4.636 1.00 62.44 C ATOM 872 OG SER A 53 -13.480 8.025 -5.263 1.00 43.11 O ATOM 0 H SER A 53 -10.433 6.100 -3.746 1.00 10.01 H new ATOM 0 HA SER A 53 -10.840 8.461 -5.189 1.00 51.33 H new ATOM 0 HB2 SER A 53 -12.264 6.364 -5.295 1.00 62.44 H new ATOM 0 HB3 SER A 53 -12.934 6.768 -3.727 1.00 62.44 H new ATOM 0 HG SER A 53 -14.279 7.497 -5.470 1.00 43.11 H new ATOM 878 N LYS A 54 -11.877 8.528 -2.034 1.00 4.44 N ATOM 879 CA LYS A 54 -12.271 9.339 -0.881 1.00 61.14 C ATOM 880 C LYS A 54 -11.118 10.266 -0.425 1.00 32.03 C ATOM 881 O LYS A 54 -11.314 11.468 -0.212 1.00 34.44 O ATOM 882 CB LYS A 54 -12.706 8.401 0.272 1.00 3.42 C ATOM 883 CG LYS A 54 -13.266 9.148 1.487 1.00 31.13 C ATOM 884 CD LYS A 54 -13.650 8.221 2.660 1.00 40.41 C ATOM 885 CE LYS A 54 -14.084 9.005 3.909 1.00 75.23 C ATOM 886 NZ LYS A 54 -13.000 9.882 4.414 1.00 61.25 N ATOM 0 H LYS A 54 -11.838 7.529 -1.832 1.00 4.44 H new ATOM 0 HA LYS A 54 -13.106 9.978 -1.167 1.00 61.14 H new ATOM 0 HB2 LYS A 54 -13.461 7.708 -0.099 1.00 3.42 H new ATOM 0 HB3 LYS A 54 -11.851 7.802 0.586 1.00 3.42 H new ATOM 0 HG2 LYS A 54 -12.525 9.869 1.832 1.00 31.13 H new ATOM 0 HG3 LYS A 54 -14.145 9.715 1.181 1.00 31.13 H new ATOM 0 HD2 LYS A 54 -14.460 7.562 2.348 1.00 40.41 H new ATOM 0 HD3 LYS A 54 -12.801 7.585 2.910 1.00 40.41 H new ATOM 0 HE2 LYS A 54 -14.960 9.609 3.672 1.00 75.23 H new ATOM 0 HE3 LYS A 54 -14.381 8.307 4.692 1.00 75.23 H new ATOM 0 HZ1 LYS A 54 -13.140 10.057 5.430 1.00 61.25 H new ATOM 0 HZ2 LYS A 54 -12.081 9.418 4.266 1.00 61.25 H new ATOM 0 HZ3 LYS A 54 -13.018 10.787 3.901 1.00 61.25 H new ATOM 900 N GLU A 55 -9.911 9.686 -0.290 1.00 1.12 N ATOM 901 CA GLU A 55 -8.697 10.408 0.159 1.00 45.20 C ATOM 902 C GLU A 55 -7.430 9.838 -0.537 1.00 22.30 C ATOM 903 O GLU A 55 -7.059 8.668 -0.360 1.00 14.42 O ATOM 904 CB GLU A 55 -8.607 10.365 1.711 1.00 61.01 C ATOM 905 CG GLU A 55 -8.784 8.965 2.343 1.00 54.00 C ATOM 906 CD GLU A 55 -9.037 9.028 3.858 1.00 3.20 C ATOM 907 OE1 GLU A 55 -8.063 9.088 4.636 1.00 33.52 O ATOM 908 OE2 GLU A 55 -10.219 9.050 4.274 1.00 63.41 O ATOM 0 H GLU A 55 -9.745 8.699 -0.489 1.00 1.12 H new ATOM 0 HA GLU A 55 -8.761 11.456 -0.135 1.00 45.20 H new ATOM 0 HB2 GLU A 55 -7.638 10.763 2.014 1.00 61.01 H new ATOM 0 HB3 GLU A 55 -9.367 11.030 2.121 1.00 61.01 H new ATOM 0 HG2 GLU A 55 -9.618 8.455 1.860 1.00 54.00 H new ATOM 0 HG3 GLU A 55 -7.892 8.369 2.152 1.00 54.00 H new ATOM 915 N GLN A 56 -6.789 10.697 -1.351 1.00 75.22 N ATOM 916 CA GLN A 56 -5.682 10.321 -2.252 1.00 21.43 C ATOM 917 C GLN A 56 -4.323 10.260 -1.516 1.00 63.41 C ATOM 918 O GLN A 56 -4.047 11.065 -0.622 1.00 63.22 O ATOM 919 CB GLN A 56 -5.603 11.347 -3.418 1.00 34.22 C ATOM 920 CG GLN A 56 -6.918 11.514 -4.213 1.00 11.41 C ATOM 921 CD GLN A 56 -6.857 12.611 -5.285 1.00 61.32 C ATOM 922 OE1 GLN A 56 -6.130 13.587 -5.153 1.00 72.53 O ATOM 923 NE2 GLN A 56 -7.622 12.465 -6.348 1.00 42.40 N ATOM 0 H GLN A 56 -7.029 11.687 -1.403 1.00 75.22 H new ATOM 0 HA GLN A 56 -5.887 9.322 -2.636 1.00 21.43 H new ATOM 0 HB2 GLN A 56 -5.312 12.316 -3.013 1.00 34.22 H new ATOM 0 HB3 GLN A 56 -4.815 11.038 -4.104 1.00 34.22 H new ATOM 0 HG2 GLN A 56 -7.167 10.566 -4.690 1.00 11.41 H new ATOM 0 HG3 GLN A 56 -7.726 11.742 -3.518 1.00 11.41 H new ATOM 0 HE21 GLN A 56 -8.220 11.643 -6.437 1.00 42.40 H new ATOM 0 HE22 GLN A 56 -7.616 13.173 -7.082 1.00 42.40 H new ATOM 932 N PHE A 57 -3.470 9.304 -1.927 1.00 3.44 N ATOM 933 CA PHE A 57 -2.079 9.165 -1.426 1.00 35.21 C ATOM 934 C PHE A 57 -1.086 9.778 -2.443 1.00 25.23 C ATOM 935 O PHE A 57 -1.440 10.010 -3.607 1.00 65.10 O ATOM 936 CB PHE A 57 -1.746 7.668 -1.185 1.00 1.00 C ATOM 937 CG PHE A 57 -2.723 6.965 -0.234 1.00 75.11 C ATOM 938 CD1 PHE A 57 -2.501 6.946 1.146 1.00 41.25 C ATOM 939 CD2 PHE A 57 -3.883 6.344 -0.721 1.00 43.50 C ATOM 940 CE1 PHE A 57 -3.390 6.320 1.999 1.00 43.42 C ATOM 941 CE2 PHE A 57 -4.770 5.720 0.137 1.00 13.43 C ATOM 942 CZ PHE A 57 -4.525 5.712 1.496 1.00 24.53 C ATOM 0 H PHE A 57 -3.722 8.599 -2.620 1.00 3.44 H new ATOM 0 HA PHE A 57 -1.988 9.700 -0.481 1.00 35.21 H new ATOM 0 HB2 PHE A 57 -1.745 7.146 -2.142 1.00 1.00 H new ATOM 0 HB3 PHE A 57 -0.738 7.590 -0.779 1.00 1.00 H new ATOM 0 HD1 PHE A 57 -1.623 7.427 1.551 1.00 41.25 H new ATOM 0 HD2 PHE A 57 -4.086 6.353 -1.782 1.00 43.50 H new ATOM 0 HE1 PHE A 57 -3.197 6.306 3.062 1.00 43.42 H new ATOM 0 HE2 PHE A 57 -5.654 5.239 -0.256 1.00 13.43 H new ATOM 0 HZ PHE A 57 -5.221 5.230 2.167 1.00 24.53 H new ATOM 952 N ASN A 58 0.152 10.038 -1.991 1.00 13.21 N ATOM 953 CA ASN A 58 1.238 10.556 -2.865 1.00 42.23 C ATOM 954 C ASN A 58 1.712 9.475 -3.868 1.00 13.12 C ATOM 955 O ASN A 58 1.613 8.285 -3.578 1.00 23.10 O ATOM 956 CB ASN A 58 2.429 11.036 -1.998 1.00 20.10 C ATOM 957 CG ASN A 58 2.082 12.209 -1.075 1.00 70.35 C ATOM 958 OD1 ASN A 58 0.930 12.423 -0.695 1.00 25.13 O ATOM 959 ND2 ASN A 58 3.081 12.963 -0.678 1.00 2.12 N ATOM 0 H ASN A 58 0.435 9.900 -1.021 1.00 13.21 H new ATOM 0 HA ASN A 58 0.845 11.397 -3.436 1.00 42.23 H new ATOM 0 HB2 ASN A 58 2.787 10.202 -1.394 1.00 20.10 H new ATOM 0 HB3 ASN A 58 3.249 11.330 -2.653 1.00 20.10 H new ATOM 0 HD21 ASN A 58 2.910 13.743 -0.043 1.00 2.12 H new ATOM 0 HD22 ASN A 58 4.028 12.769 -1.004 1.00 2.12 H new ATOM 966 N GLU A 59 2.250 9.908 -5.029 1.00 50.25 N ATOM 967 CA GLU A 59 2.688 8.986 -6.117 1.00 2.01 C ATOM 968 C GLU A 59 3.820 8.015 -5.670 1.00 41.34 C ATOM 969 O GLU A 59 3.872 6.867 -6.123 1.00 41.13 O ATOM 970 CB GLU A 59 3.132 9.787 -7.372 1.00 62.11 C ATOM 971 CG GLU A 59 4.275 10.805 -7.132 1.00 54.32 C ATOM 972 CD GLU A 59 4.904 11.329 -8.435 1.00 70.22 C ATOM 973 OE1 GLU A 59 4.196 11.981 -9.232 1.00 65.14 O ATOM 974 OE2 GLU A 59 6.092 11.031 -8.701 1.00 31.21 O ATOM 0 H GLU A 59 2.395 10.895 -5.244 1.00 50.25 H new ATOM 0 HA GLU A 59 1.823 8.373 -6.368 1.00 2.01 H new ATOM 0 HB2 GLU A 59 3.450 9.082 -8.140 1.00 62.11 H new ATOM 0 HB3 GLU A 59 2.268 10.321 -7.767 1.00 62.11 H new ATOM 0 HG2 GLU A 59 3.888 11.647 -6.559 1.00 54.32 H new ATOM 0 HG3 GLU A 59 5.049 10.336 -6.525 1.00 54.32 H new ATOM 981 N ALA A 60 4.710 8.496 -4.783 1.00 54.13 N ATOM 982 CA ALA A 60 5.807 7.682 -4.197 1.00 0.40 C ATOM 983 C ALA A 60 5.261 6.565 -3.271 1.00 55.32 C ATOM 984 O ALA A 60 5.801 5.455 -3.231 1.00 22.21 O ATOM 985 CB ALA A 60 6.790 8.587 -3.436 1.00 43.42 C ATOM 0 H ALA A 60 4.695 9.459 -4.448 1.00 54.13 H new ATOM 0 HA ALA A 60 6.336 7.194 -5.016 1.00 0.40 H new ATOM 0 HB1 ALA A 60 7.589 7.980 -3.011 1.00 43.42 H new ATOM 0 HB2 ALA A 60 7.216 9.319 -4.122 1.00 43.42 H new ATOM 0 HB3 ALA A 60 6.262 9.105 -2.635 1.00 43.42 H new ATOM 991 N GLN A 61 4.171 6.884 -2.547 1.00 4.22 N ATOM 992 CA GLN A 61 3.438 5.917 -1.700 1.00 4.25 C ATOM 993 C GLN A 61 2.758 4.842 -2.573 1.00 32.34 C ATOM 994 O GLN A 61 2.922 3.649 -2.337 1.00 12.23 O ATOM 995 CB GLN A 61 2.362 6.654 -0.862 1.00 33.53 C ATOM 996 CG GLN A 61 2.897 7.776 0.052 1.00 34.10 C ATOM 997 CD GLN A 61 1.802 8.466 0.883 1.00 64.32 C ATOM 998 OE1 GLN A 61 1.877 9.653 1.171 1.00 53.11 O ATOM 999 NE2 GLN A 61 0.785 7.728 1.298 1.00 1.43 N ATOM 0 H GLN A 61 3.771 7.822 -2.532 1.00 4.22 H new ATOM 0 HA GLN A 61 4.152 5.435 -1.033 1.00 4.25 H new ATOM 0 HB2 GLN A 61 1.625 7.081 -1.542 1.00 33.53 H new ATOM 0 HB3 GLN A 61 1.840 5.922 -0.245 1.00 33.53 H new ATOM 0 HG2 GLN A 61 3.645 7.359 0.726 1.00 34.10 H new ATOM 0 HG3 GLN A 61 3.402 8.523 -0.561 1.00 34.10 H new ATOM 0 HE21 GLN A 61 0.737 6.740 1.049 1.00 1.43 H new ATOM 0 HE22 GLN A 61 0.049 8.147 1.866 1.00 1.43 H new ATOM 1008 N LEU A 62 2.013 5.312 -3.595 1.00 72.33 N ATOM 1009 CA LEU A 62 1.266 4.451 -4.540 1.00 61.51 C ATOM 1010 C LEU A 62 2.197 3.493 -5.312 1.00 10.55 C ATOM 1011 O LEU A 62 1.806 2.377 -5.618 1.00 53.22 O ATOM 1012 CB LEU A 62 0.455 5.325 -5.530 1.00 44.34 C ATOM 1013 CG LEU A 62 -0.670 6.202 -4.890 1.00 50.22 C ATOM 1014 CD1 LEU A 62 -1.306 7.160 -5.926 1.00 3.31 C ATOM 1015 CD2 LEU A 62 -1.748 5.318 -4.201 1.00 13.34 C ATOM 0 H LEU A 62 1.911 6.308 -3.790 1.00 72.33 H new ATOM 0 HA LEU A 62 0.582 3.837 -3.954 1.00 61.51 H new ATOM 0 HB2 LEU A 62 1.147 5.981 -6.058 1.00 44.34 H new ATOM 0 HB3 LEU A 62 0.002 4.672 -6.276 1.00 44.34 H new ATOM 0 HG LEU A 62 -0.205 6.819 -4.121 1.00 50.22 H new ATOM 0 HD11 LEU A 62 -2.083 7.753 -5.444 1.00 3.31 H new ATOM 0 HD12 LEU A 62 -0.540 7.823 -6.327 1.00 3.31 H new ATOM 0 HD13 LEU A 62 -1.744 6.579 -6.738 1.00 3.31 H new ATOM 0 HD21 LEU A 62 -2.517 5.956 -3.765 1.00 13.34 H new ATOM 0 HD22 LEU A 62 -2.201 4.655 -4.939 1.00 13.34 H new ATOM 0 HD23 LEU A 62 -1.283 4.722 -3.416 1.00 13.34 H new ATOM 1027 N ALA A 63 3.426 3.963 -5.610 1.00 20.11 N ATOM 1028 CA ALA A 63 4.488 3.150 -6.251 1.00 4.31 C ATOM 1029 C ALA A 63 4.818 1.885 -5.423 1.00 53.21 C ATOM 1030 O ALA A 63 4.857 0.773 -5.963 1.00 41.44 O ATOM 1031 CB ALA A 63 5.747 4.007 -6.462 1.00 62.22 C ATOM 0 H ALA A 63 3.714 4.921 -5.413 1.00 20.11 H new ATOM 0 HA ALA A 63 4.119 2.814 -7.220 1.00 4.31 H new ATOM 0 HB1 ALA A 63 6.523 3.404 -6.933 1.00 62.22 H new ATOM 0 HB2 ALA A 63 5.507 4.855 -7.104 1.00 62.22 H new ATOM 0 HB3 ALA A 63 6.105 4.371 -5.499 1.00 62.22 H new ATOM 1037 N LEU A 64 5.026 2.084 -4.104 1.00 62.33 N ATOM 1038 CA LEU A 64 5.245 0.986 -3.137 1.00 4.40 C ATOM 1039 C LEU A 64 4.014 0.048 -3.050 1.00 65.21 C ATOM 1040 O LEU A 64 4.159 -1.168 -3.066 1.00 64.11 O ATOM 1041 CB LEU A 64 5.550 1.562 -1.728 1.00 42.40 C ATOM 1042 CG LEU A 64 5.764 0.503 -0.592 1.00 12.12 C ATOM 1043 CD1 LEU A 64 7.029 -0.355 -0.835 1.00 74.02 C ATOM 1044 CD2 LEU A 64 5.786 1.161 0.802 1.00 10.32 C ATOM 0 H LEU A 64 5.047 3.011 -3.679 1.00 62.33 H new ATOM 0 HA LEU A 64 6.097 0.406 -3.491 1.00 4.40 H new ATOM 0 HB2 LEU A 64 6.444 2.182 -1.795 1.00 42.40 H new ATOM 0 HB3 LEU A 64 4.729 2.218 -1.438 1.00 42.40 H new ATOM 0 HG LEU A 64 4.908 -0.172 -0.620 1.00 12.12 H new ATOM 0 HD11 LEU A 64 7.141 -1.076 -0.025 1.00 74.02 H new ATOM 0 HD12 LEU A 64 6.932 -0.885 -1.782 1.00 74.02 H new ATOM 0 HD13 LEU A 64 7.906 0.291 -0.869 1.00 74.02 H new ATOM 0 HD21 LEU A 64 5.936 0.396 1.563 1.00 10.32 H new ATOM 0 HD22 LEU A 64 6.599 1.885 0.850 1.00 10.32 H new ATOM 0 HD23 LEU A 64 4.838 1.668 0.980 1.00 10.32 H new ATOM 1056 N ILE A 65 2.815 0.646 -2.949 1.00 35.23 N ATOM 1057 CA ILE A 65 1.532 -0.094 -2.820 1.00 23.33 C ATOM 1058 C ILE A 65 1.281 -1.049 -4.024 1.00 1.43 C ATOM 1059 O ILE A 65 0.855 -2.195 -3.841 1.00 2.43 O ATOM 1060 CB ILE A 65 0.340 0.923 -2.643 1.00 73.40 C ATOM 1061 CG1 ILE A 65 0.515 1.740 -1.310 1.00 40.11 C ATOM 1062 CG2 ILE A 65 -1.036 0.211 -2.684 1.00 55.33 C ATOM 1063 CD1 ILE A 65 -0.450 2.900 -1.122 1.00 3.54 C ATOM 0 H ILE A 65 2.700 1.659 -2.954 1.00 35.23 H new ATOM 0 HA ILE A 65 1.596 -0.723 -1.932 1.00 23.33 H new ATOM 0 HB ILE A 65 0.365 1.617 -3.483 1.00 73.40 H new ATOM 0 HG12 ILE A 65 0.403 1.057 -0.468 1.00 40.11 H new ATOM 0 HG13 ILE A 65 1.533 2.127 -1.273 1.00 40.11 H new ATOM 0 HG21 ILE A 65 -1.830 0.947 -2.558 1.00 55.33 H new ATOM 0 HG22 ILE A 65 -1.156 -0.293 -3.643 1.00 55.33 H new ATOM 0 HG23 ILE A 65 -1.090 -0.522 -1.879 1.00 55.33 H new ATOM 0 HD11 ILE A 65 -0.243 3.395 -0.173 1.00 3.54 H new ATOM 0 HD12 ILE A 65 -0.326 3.612 -1.938 1.00 3.54 H new ATOM 0 HD13 ILE A 65 -1.474 2.525 -1.120 1.00 3.54 H new ATOM 1075 N ARG A 66 1.558 -0.562 -5.248 1.00 74.51 N ATOM 1076 CA ARG A 66 1.475 -1.376 -6.488 1.00 44.53 C ATOM 1077 C ARG A 66 2.490 -2.538 -6.448 1.00 73.15 C ATOM 1078 O ARG A 66 2.142 -3.682 -6.722 1.00 33.02 O ATOM 1079 CB ARG A 66 1.744 -0.479 -7.728 1.00 22.44 C ATOM 1080 CG ARG A 66 0.692 0.625 -7.957 1.00 1.51 C ATOM 1081 CD ARG A 66 1.098 1.618 -9.057 1.00 25.42 C ATOM 1082 NE ARG A 66 0.080 2.669 -9.228 1.00 34.34 N ATOM 1083 CZ ARG A 66 0.309 3.962 -9.307 1.00 32.42 C ATOM 1084 NH1 ARG A 66 1.513 4.445 -9.245 1.00 55.10 N ATOM 1085 NH2 ARG A 66 -0.682 4.771 -9.474 1.00 63.33 N ATOM 0 H ARG A 66 1.845 0.403 -5.411 1.00 74.51 H new ATOM 0 HA ARG A 66 0.472 -1.797 -6.559 1.00 44.53 H new ATOM 0 HB2 ARG A 66 2.723 -0.013 -7.619 1.00 22.44 H new ATOM 0 HB3 ARG A 66 1.789 -1.111 -8.615 1.00 22.44 H new ATOM 0 HG2 ARG A 66 -0.259 0.164 -8.224 1.00 1.51 H new ATOM 0 HG3 ARG A 66 0.533 1.168 -7.025 1.00 1.51 H new ATOM 0 HD2 ARG A 66 2.056 2.073 -8.804 1.00 25.42 H new ATOM 0 HD3 ARG A 66 1.237 1.086 -9.998 1.00 25.42 H new ATOM 0 HE ARG A 66 -0.892 2.366 -9.291 1.00 34.34 H new ATOM 0 HH11 ARG A 66 2.309 3.817 -9.132 1.00 55.10 H new ATOM 0 HH12 ARG A 66 1.662 5.452 -9.309 1.00 55.10 H new ATOM 0 HH21 ARG A 66 -1.632 4.406 -9.543 1.00 63.33 H new ATOM 0 HH22 ARG A 66 -0.515 5.775 -9.537 1.00 63.33 H new ATOM 1099 N ASP A 67 3.732 -2.202 -6.052 1.00 3.35 N ATOM 1100 CA ASP A 67 4.861 -3.154 -5.955 1.00 22.31 C ATOM 1101 C ASP A 67 4.540 -4.343 -4.998 1.00 23.34 C ATOM 1102 O ASP A 67 4.752 -5.500 -5.350 1.00 72.32 O ATOM 1103 CB ASP A 67 6.119 -2.380 -5.486 1.00 33.12 C ATOM 1104 CG ASP A 67 7.402 -3.215 -5.512 1.00 72.04 C ATOM 1105 OD1 ASP A 67 8.035 -3.313 -6.590 1.00 14.43 O ATOM 1106 OD2 ASP A 67 7.771 -3.799 -4.472 1.00 52.01 O ATOM 0 H ASP A 67 3.986 -1.250 -5.786 1.00 3.35 H new ATOM 0 HA ASP A 67 5.042 -3.593 -6.936 1.00 22.31 H new ATOM 0 HB2 ASP A 67 6.253 -1.504 -6.121 1.00 33.12 H new ATOM 0 HB3 ASP A 67 5.954 -2.016 -4.472 1.00 33.12 H new ATOM 1111 N ILE A 68 4.019 -4.019 -3.801 1.00 71.24 N ATOM 1112 CA ILE A 68 3.618 -5.010 -2.764 1.00 21.11 C ATOM 1113 C ILE A 68 2.484 -5.944 -3.274 1.00 0.24 C ATOM 1114 O ILE A 68 2.529 -7.165 -3.079 1.00 41.02 O ATOM 1115 CB ILE A 68 3.154 -4.269 -1.445 1.00 44.10 C ATOM 1116 CG1 ILE A 68 4.335 -3.458 -0.798 1.00 4.53 C ATOM 1117 CG2 ILE A 68 2.531 -5.248 -0.420 1.00 21.53 C ATOM 1118 CD1 ILE A 68 3.945 -2.616 0.416 1.00 4.12 C ATOM 0 H ILE A 68 3.859 -3.053 -3.515 1.00 71.24 H new ATOM 0 HA ILE A 68 4.489 -5.627 -2.543 1.00 21.11 H new ATOM 0 HB ILE A 68 2.377 -3.562 -1.735 1.00 44.10 H new ATOM 0 HG12 ILE A 68 5.117 -4.157 -0.502 1.00 4.53 H new ATOM 0 HG13 ILE A 68 4.764 -2.802 -1.555 1.00 4.53 H new ATOM 0 HG21 ILE A 68 2.226 -4.698 0.470 1.00 21.53 H new ATOM 0 HG22 ILE A 68 1.661 -5.733 -0.862 1.00 21.53 H new ATOM 0 HG23 ILE A 68 3.267 -6.004 -0.145 1.00 21.53 H new ATOM 0 HD11 ILE A 68 4.824 -2.093 0.794 1.00 4.12 H new ATOM 0 HD12 ILE A 68 3.187 -1.889 0.126 1.00 4.12 H new ATOM 0 HD13 ILE A 68 3.546 -3.265 1.196 1.00 4.12 H new ATOM 1130 N ARG A 69 1.466 -5.344 -3.919 1.00 32.44 N ATOM 1131 CA ARG A 69 0.343 -6.089 -4.546 1.00 63.40 C ATOM 1132 C ARG A 69 0.822 -7.031 -5.683 1.00 64.04 C ATOM 1133 O ARG A 69 0.162 -8.017 -5.983 1.00 0.35 O ATOM 1134 CB ARG A 69 -0.760 -5.100 -5.040 1.00 74.42 C ATOM 1135 CG ARG A 69 -1.601 -4.486 -3.896 1.00 21.40 C ATOM 1136 CD ARG A 69 -2.646 -3.468 -4.380 1.00 14.42 C ATOM 1137 NE ARG A 69 -2.012 -2.269 -4.960 1.00 24.13 N ATOM 1138 CZ ARG A 69 -2.611 -1.376 -5.710 1.00 72.32 C ATOM 1139 NH1 ARG A 69 -3.865 -1.480 -6.023 1.00 0.12 N ATOM 1140 NH2 ARG A 69 -1.946 -0.357 -6.132 1.00 30.03 N ATOM 0 H ARG A 69 1.393 -4.332 -4.023 1.00 32.44 H new ATOM 0 HA ARG A 69 -0.093 -6.732 -3.782 1.00 63.40 H new ATOM 0 HB2 ARG A 69 -0.288 -4.296 -5.604 1.00 74.42 H new ATOM 0 HB3 ARG A 69 -1.425 -5.624 -5.727 1.00 74.42 H new ATOM 0 HG2 ARG A 69 -2.108 -5.287 -3.358 1.00 21.40 H new ATOM 0 HG3 ARG A 69 -0.933 -3.999 -3.186 1.00 21.40 H new ATOM 0 HD2 ARG A 69 -3.291 -3.935 -5.124 1.00 14.42 H new ATOM 0 HD3 ARG A 69 -3.283 -3.175 -3.545 1.00 14.42 H new ATOM 0 HE ARG A 69 -1.023 -2.122 -4.760 1.00 24.13 H new ATOM 0 HH11 ARG A 69 -4.411 -2.272 -5.684 1.00 0.12 H new ATOM 0 HH12 ARG A 69 -4.305 -0.770 -6.608 1.00 0.12 H new ATOM 0 HH21 ARG A 69 -0.963 -0.251 -5.882 1.00 30.03 H new ATOM 0 HH22 ARG A 69 -2.403 0.344 -6.716 1.00 30.03 H new ATOM 1154 N ARG A 70 1.955 -6.697 -6.326 1.00 23.32 N ATOM 1155 CA ARG A 70 2.615 -7.581 -7.328 1.00 64.00 C ATOM 1156 C ARG A 70 3.288 -8.827 -6.689 1.00 61.12 C ATOM 1157 O ARG A 70 3.622 -9.772 -7.393 1.00 2.05 O ATOM 1158 CB ARG A 70 3.630 -6.772 -8.180 1.00 54.02 C ATOM 1159 CG ARG A 70 2.965 -5.698 -9.063 1.00 55.54 C ATOM 1160 CD ARG A 70 3.967 -4.861 -9.864 1.00 32.12 C ATOM 1161 NE ARG A 70 3.286 -3.844 -10.685 1.00 43.31 N ATOM 1162 CZ ARG A 70 3.872 -3.038 -11.541 1.00 3.31 C ATOM 1163 NH1 ARG A 70 5.160 -3.033 -11.700 1.00 75.21 N ATOM 1164 NH2 ARG A 70 3.156 -2.213 -12.229 1.00 41.11 N ATOM 0 H ARG A 70 2.443 -5.815 -6.174 1.00 23.32 H new ATOM 0 HA ARG A 70 1.829 -7.962 -7.980 1.00 64.00 H new ATOM 0 HB2 ARG A 70 4.350 -6.292 -7.517 1.00 54.02 H new ATOM 0 HB3 ARG A 70 4.190 -7.459 -8.815 1.00 54.02 H new ATOM 0 HG2 ARG A 70 2.274 -6.183 -9.753 1.00 55.54 H new ATOM 0 HG3 ARG A 70 2.372 -5.036 -8.432 1.00 55.54 H new ATOM 0 HD2 ARG A 70 4.663 -4.373 -9.182 1.00 32.12 H new ATOM 0 HD3 ARG A 70 4.557 -5.514 -10.507 1.00 32.12 H new ATOM 0 HE ARG A 70 2.275 -3.759 -10.580 1.00 43.31 H new ATOM 0 HH11 ARG A 70 5.744 -3.666 -11.153 1.00 75.21 H new ATOM 0 HH12 ARG A 70 5.588 -2.396 -12.372 1.00 75.21 H new ATOM 0 HH21 ARG A 70 2.144 -2.191 -12.106 1.00 41.11 H new ATOM 0 HH22 ARG A 70 3.603 -1.584 -12.896 1.00 41.11 H new ATOM 1178 N ARG A 71 3.552 -8.791 -5.370 1.00 34.45 N ATOM 1179 CA ARG A 71 4.022 -9.986 -4.607 1.00 74.31 C ATOM 1180 C ARG A 71 2.828 -10.873 -4.164 1.00 11.42 C ATOM 1181 O ARG A 71 2.909 -12.105 -4.221 1.00 61.31 O ATOM 1182 CB ARG A 71 4.870 -9.577 -3.361 1.00 4.11 C ATOM 1183 CG ARG A 71 6.340 -9.187 -3.651 1.00 64.10 C ATOM 1184 CD ARG A 71 6.477 -7.946 -4.538 1.00 74.35 C ATOM 1185 NE ARG A 71 7.872 -7.662 -4.892 1.00 35.50 N ATOM 1186 CZ ARG A 71 8.265 -6.846 -5.844 1.00 13.40 C ATOM 1187 NH1 ARG A 71 7.415 -6.209 -6.591 1.00 1.43 N ATOM 1188 NH2 ARG A 71 9.524 -6.656 -6.033 1.00 43.32 N ATOM 0 H ARG A 71 3.451 -7.951 -4.800 1.00 34.45 H new ATOM 0 HA ARG A 71 4.658 -10.562 -5.280 1.00 74.31 H new ATOM 0 HB2 ARG A 71 4.380 -8.736 -2.870 1.00 4.11 H new ATOM 0 HB3 ARG A 71 4.866 -10.406 -2.653 1.00 4.11 H new ATOM 0 HG2 ARG A 71 6.854 -9.008 -2.706 1.00 64.10 H new ATOM 0 HG3 ARG A 71 6.842 -10.026 -4.133 1.00 64.10 H new ATOM 0 HD2 ARG A 71 5.896 -8.088 -5.449 1.00 74.35 H new ATOM 0 HD3 ARG A 71 6.054 -7.085 -4.021 1.00 74.35 H new ATOM 0 HE ARG A 71 8.597 -8.137 -4.355 1.00 35.50 H new ATOM 0 HH11 ARG A 71 6.413 -6.336 -6.446 1.00 1.43 H new ATOM 0 HH12 ARG A 71 7.749 -5.582 -7.323 1.00 1.43 H new ATOM 0 HH21 ARG A 71 10.206 -7.137 -5.446 1.00 43.32 H new ATOM 0 HH22 ARG A 71 9.840 -6.025 -6.769 1.00 43.32 H new ATOM 1202 N GLY A 72 1.734 -10.238 -3.706 1.00 25.54 N ATOM 1203 CA GLY A 72 0.547 -10.964 -3.224 1.00 23.53 C ATOM 1204 C GLY A 72 -0.349 -11.513 -4.345 1.00 55.11 C ATOM 1205 O GLY A 72 -0.646 -12.710 -4.388 1.00 52.12 O ATOM 0 H GLY A 72 1.648 -9.223 -3.660 1.00 25.54 H new ATOM 0 HA2 GLY A 72 0.872 -11.792 -2.594 1.00 23.53 H new ATOM 0 HA3 GLY A 72 -0.043 -10.297 -2.595 1.00 23.53 H new ATOM 1209 N LYS A 73 -0.762 -10.619 -5.256 1.00 74.53 N ATOM 1210 CA LYS A 73 -1.745 -10.897 -6.340 1.00 41.41 C ATOM 1211 C LYS A 73 -1.065 -11.276 -7.692 1.00 61.12 C ATOM 1212 O LYS A 73 -1.591 -10.960 -8.765 1.00 12.40 O ATOM 1213 CB LYS A 73 -2.646 -9.632 -6.521 1.00 54.32 C ATOM 1214 CG LYS A 73 -3.557 -9.290 -5.315 1.00 24.02 C ATOM 1215 CD LYS A 73 -4.634 -10.378 -5.064 1.00 12.15 C ATOM 1216 CE LYS A 73 -5.655 -9.984 -3.983 1.00 41.24 C ATOM 1217 NZ LYS A 73 -5.024 -9.835 -2.658 1.00 43.21 N ATOM 0 H LYS A 73 -0.420 -9.658 -5.269 1.00 74.53 H new ATOM 0 HA LYS A 73 -2.342 -11.761 -6.048 1.00 41.41 H new ATOM 0 HB2 LYS A 73 -2.004 -8.775 -6.725 1.00 54.32 H new ATOM 0 HB3 LYS A 73 -3.274 -9.776 -7.400 1.00 54.32 H new ATOM 0 HG2 LYS A 73 -2.944 -9.175 -4.421 1.00 24.02 H new ATOM 0 HG3 LYS A 73 -4.046 -8.332 -5.492 1.00 24.02 H new ATOM 0 HD2 LYS A 73 -5.162 -10.579 -5.996 1.00 12.15 H new ATOM 0 HD3 LYS A 73 -4.142 -11.305 -4.769 1.00 12.15 H new ATOM 0 HE2 LYS A 73 -6.137 -9.047 -4.263 1.00 41.24 H new ATOM 0 HE3 LYS A 73 -6.437 -10.741 -3.929 1.00 41.24 H new ATOM 0 HZ1 LYS A 73 -5.732 -9.504 -1.972 1.00 43.21 H new ATOM 0 HZ2 LYS A 73 -4.645 -10.753 -2.349 1.00 43.21 H new ATOM 0 HZ3 LYS A 73 -4.250 -9.143 -2.718 1.00 43.21 H new ATOM 1231 N ASN A 74 0.071 -12.001 -7.649 1.00 25.44 N ATOM 1232 CA ASN A 74 0.818 -12.402 -8.886 1.00 4.11 C ATOM 1233 C ASN A 74 0.406 -13.805 -9.423 1.00 1.41 C ATOM 1234 O ASN A 74 1.151 -14.420 -10.197 1.00 10.31 O ATOM 1235 CB ASN A 74 2.353 -12.330 -8.644 1.00 44.44 C ATOM 1236 CG ASN A 74 2.844 -13.084 -7.403 1.00 30.43 C ATOM 1237 OD1 ASN A 74 2.237 -14.034 -6.932 1.00 20.54 O ATOM 1238 ND2 ASN A 74 3.972 -12.671 -6.874 1.00 65.24 N ATOM 0 H ASN A 74 0.499 -12.325 -6.782 1.00 25.44 H new ATOM 0 HA ASN A 74 0.545 -11.686 -9.661 1.00 4.11 H new ATOM 0 HB2 ASN A 74 2.864 -12.729 -9.520 1.00 44.44 H new ATOM 0 HB3 ASN A 74 2.644 -11.283 -8.555 1.00 44.44 H new ATOM 0 HD21 ASN A 74 4.355 -13.145 -6.056 1.00 65.24 H new ATOM 0 HD22 ASN A 74 4.465 -11.876 -7.281 1.00 65.24 H new ATOM 1245 N LYS A 75 -0.811 -14.274 -9.071 1.00 11.54 N ATOM 1246 CA LYS A 75 -1.331 -15.597 -9.517 1.00 11.43 C ATOM 1247 C LYS A 75 -1.933 -15.558 -10.957 1.00 60.10 C ATOM 1248 O LYS A 75 -2.651 -16.485 -11.356 1.00 25.02 O ATOM 1249 CB LYS A 75 -2.391 -16.117 -8.509 1.00 30.54 C ATOM 1250 CG LYS A 75 -3.722 -15.321 -8.487 1.00 24.31 C ATOM 1251 CD LYS A 75 -4.779 -15.962 -7.556 1.00 61.02 C ATOM 1252 CE LYS A 75 -5.125 -17.411 -7.957 1.00 51.33 C ATOM 1253 NZ LYS A 75 -6.104 -18.026 -7.022 1.00 63.11 N ATOM 0 H LYS A 75 -1.459 -13.757 -8.476 1.00 11.54 H new ATOM 0 HA LYS A 75 -0.482 -16.279 -9.548 1.00 11.43 H new ATOM 0 HB2 LYS A 75 -2.612 -17.158 -8.743 1.00 30.54 H new ATOM 0 HB3 LYS A 75 -1.958 -16.100 -7.509 1.00 30.54 H new ATOM 0 HG2 LYS A 75 -3.526 -14.300 -8.160 1.00 24.31 H new ATOM 0 HG3 LYS A 75 -4.122 -15.260 -9.499 1.00 24.31 H new ATOM 0 HD2 LYS A 75 -4.408 -15.952 -6.531 1.00 61.02 H new ATOM 0 HD3 LYS A 75 -5.686 -15.358 -7.573 1.00 61.02 H new ATOM 0 HE2 LYS A 75 -5.533 -17.420 -8.968 1.00 51.33 H new ATOM 0 HE3 LYS A 75 -4.215 -18.010 -7.975 1.00 51.33 H new ATOM 0 HZ1 LYS A 75 -6.310 -18.999 -7.326 1.00 63.11 H new ATOM 0 HZ2 LYS A 75 -5.705 -18.040 -6.062 1.00 63.11 H new ATOM 0 HZ3 LYS A 75 -6.982 -17.469 -7.024 1.00 63.11 H new ATOM 1267 N VAL A 76 -1.621 -14.494 -11.731 1.00 22.14 N ATOM 1268 CA VAL A 76 -2.110 -14.322 -13.120 1.00 31.54 C ATOM 1269 C VAL A 76 -1.613 -15.473 -14.037 1.00 44.34 C ATOM 1270 O VAL A 76 -2.406 -16.316 -14.470 1.00 2.23 O ATOM 1271 CB VAL A 76 -1.684 -12.917 -13.705 1.00 21.24 C ATOM 1272 CG1 VAL A 76 -2.245 -12.693 -15.133 1.00 74.12 C ATOM 1273 CG2 VAL A 76 -2.107 -11.768 -12.750 1.00 70.13 C ATOM 0 H VAL A 76 -1.024 -13.731 -11.412 1.00 22.14 H new ATOM 0 HA VAL A 76 -3.199 -14.360 -13.092 1.00 31.54 H new ATOM 0 HB VAL A 76 -0.597 -12.911 -13.782 1.00 21.24 H new ATOM 0 HG11 VAL A 76 -1.929 -11.716 -15.499 1.00 74.12 H new ATOM 0 HG12 VAL A 76 -1.867 -13.469 -15.798 1.00 74.12 H new ATOM 0 HG13 VAL A 76 -3.334 -12.736 -15.107 1.00 74.12 H new ATOM 0 HG21 VAL A 76 -1.803 -10.811 -13.175 1.00 70.13 H new ATOM 0 HG22 VAL A 76 -3.189 -11.781 -12.623 1.00 70.13 H new ATOM 0 HG23 VAL A 76 -1.626 -11.904 -11.781 1.00 70.13 H new ATOM 1283 N ALA A 77 -0.292 -15.509 -14.285 1.00 23.23 N ATOM 1284 CA ALA A 77 0.359 -16.552 -15.115 1.00 53.22 C ATOM 1285 C ALA A 77 1.899 -16.474 -14.998 1.00 72.23 C ATOM 1286 O ALA A 77 2.456 -15.415 -14.668 1.00 70.23 O ATOM 1287 CB ALA A 77 -0.078 -16.441 -16.594 1.00 50.03 C ATOM 0 H ALA A 77 0.360 -14.817 -13.917 1.00 23.23 H new ATOM 0 HA ALA A 77 0.036 -17.522 -14.737 1.00 53.22 H new ATOM 0 HB1 ALA A 77 0.415 -17.218 -17.178 1.00 50.03 H new ATOM 0 HB2 ALA A 77 -1.159 -16.565 -16.664 1.00 50.03 H new ATOM 0 HB3 ALA A 77 0.201 -15.462 -16.983 1.00 50.03 H new ATOM 1293 N ALA A 78 2.570 -17.606 -15.270 1.00 42.24 N ATOM 1294 CA ALA A 78 4.048 -17.716 -15.246 1.00 11.53 C ATOM 1295 C ALA A 78 4.573 -18.287 -16.585 1.00 14.05 C ATOM 1296 O ALA A 78 4.032 -19.275 -17.099 1.00 61.14 O ATOM 1297 CB ALA A 78 4.486 -18.610 -14.070 1.00 12.42 C ATOM 0 H ALA A 78 2.104 -18.479 -15.515 1.00 42.24 H new ATOM 0 HA ALA A 78 4.473 -16.721 -15.112 1.00 11.53 H new ATOM 0 HB1 ALA A 78 5.573 -18.687 -14.057 1.00 12.42 H new ATOM 0 HB2 ALA A 78 4.142 -18.173 -13.133 1.00 12.42 H new ATOM 0 HB3 ALA A 78 4.053 -19.603 -14.187 1.00 12.42 H new ATOM 1303 N GLN A 79 5.621 -17.653 -17.152 1.00 74.21 N ATOM 1304 CA GLN A 79 6.282 -18.126 -18.393 1.00 23.54 C ATOM 1305 C GLN A 79 7.681 -18.709 -18.073 1.00 42.45 C ATOM 1306 O GLN A 79 8.628 -17.966 -17.771 1.00 52.13 O ATOM 1307 CB GLN A 79 6.399 -16.974 -19.437 1.00 1.23 C ATOM 1308 CG GLN A 79 7.058 -17.398 -20.770 1.00 44.25 C ATOM 1309 CD GLN A 79 7.242 -16.269 -21.791 1.00 74.13 C ATOM 1310 OE1 GLN A 79 6.463 -15.327 -21.850 1.00 31.22 O ATOM 1311 NE2 GLN A 79 8.267 -16.368 -22.610 1.00 75.03 N ATOM 0 H GLN A 79 6.033 -16.803 -16.767 1.00 74.21 H new ATOM 0 HA GLN A 79 5.666 -18.914 -18.825 1.00 23.54 H new ATOM 0 HB2 GLN A 79 5.403 -16.583 -19.644 1.00 1.23 H new ATOM 0 HB3 GLN A 79 6.977 -16.159 -19.001 1.00 1.23 H new ATOM 0 HG2 GLN A 79 8.033 -17.834 -20.553 1.00 44.25 H new ATOM 0 HG3 GLN A 79 6.452 -18.182 -21.224 1.00 44.25 H new ATOM 0 HE21 GLN A 79 8.901 -17.164 -22.539 1.00 75.03 H new ATOM 0 HE22 GLN A 79 8.427 -15.649 -23.316 1.00 75.03 H new ATOM 1320 N ASN A 80 7.794 -20.046 -18.135 1.00 70.11 N ATOM 1321 CA ASN A 80 9.066 -20.767 -17.916 1.00 2.33 C ATOM 1322 C ASN A 80 9.877 -20.858 -19.233 1.00 3.30 C ATOM 1323 O ASN A 80 11.074 -20.565 -19.256 1.00 42.35 O ATOM 1324 CB ASN A 80 8.787 -22.187 -17.348 1.00 51.15 C ATOM 1325 CG ASN A 80 8.065 -22.177 -15.994 1.00 3.41 C ATOM 1326 OD1 ASN A 80 7.250 -21.309 -15.696 1.00 53.14 O ATOM 1327 ND2 ASN A 80 8.359 -23.147 -15.155 1.00 22.55 N ATOM 0 H ASN A 80 7.006 -20.661 -18.339 1.00 70.11 H new ATOM 0 HA ASN A 80 9.659 -20.211 -17.190 1.00 2.33 H new ATOM 0 HB2 ASN A 80 8.186 -22.745 -18.066 1.00 51.15 H new ATOM 0 HB3 ASN A 80 9.732 -22.719 -17.242 1.00 51.15 H new ATOM 0 HD21 ASN A 80 7.907 -23.185 -14.241 1.00 22.55 H new ATOM 0 HD22 ASN A 80 9.039 -23.861 -15.418 1.00 22.55 H new ATOM 1334 N CYS A 81 9.201 -21.269 -20.323 1.00 32.12 N ATOM 1335 CA CYS A 81 9.831 -21.421 -21.657 1.00 20.34 C ATOM 1336 C CYS A 81 9.929 -20.059 -22.387 1.00 4.10 C ATOM 1337 O CYS A 81 8.945 -19.323 -22.473 1.00 54.34 O ATOM 1338 CB CYS A 81 9.033 -22.427 -22.509 1.00 23.43 C ATOM 1339 SG CYS A 81 8.915 -24.080 -21.779 1.00 23.34 S ATOM 0 H CYS A 81 8.209 -21.505 -20.309 1.00 32.12 H new ATOM 0 HA CYS A 81 10.843 -21.800 -21.513 1.00 20.34 H new ATOM 0 HB2 CYS A 81 8.027 -22.037 -22.665 1.00 23.43 H new ATOM 0 HB3 CYS A 81 9.500 -22.507 -23.491 1.00 23.43 H new ATOM 0 HG CYS A 81 8.226 -24.853 -22.565 1.00 23.34 H new ATOM 1345 N ARG A 82 11.121 -19.751 -22.924 1.00 3.14 N ATOM 1346 CA ARG A 82 11.425 -18.456 -23.576 1.00 43.25 C ATOM 1347 C ARG A 82 10.663 -18.279 -24.917 1.00 11.41 C ATOM 1348 O ARG A 82 10.656 -19.180 -25.762 1.00 13.54 O ATOM 1349 CB ARG A 82 12.958 -18.343 -23.819 1.00 35.30 C ATOM 1350 CG ARG A 82 13.421 -17.013 -24.461 1.00 35.11 C ATOM 1351 CD ARG A 82 14.936 -16.991 -24.773 1.00 22.42 C ATOM 1352 NE ARG A 82 15.361 -15.702 -25.363 1.00 53.50 N ATOM 1353 CZ ARG A 82 16.061 -15.549 -26.469 1.00 22.13 C ATOM 1354 NH1 ARG A 82 16.436 -16.570 -27.175 1.00 74.44 N ATOM 1355 NH2 ARG A 82 16.396 -14.361 -26.860 1.00 45.52 N ATOM 0 H ARG A 82 11.911 -20.396 -22.920 1.00 3.14 H new ATOM 0 HA ARG A 82 11.092 -17.663 -22.907 1.00 43.25 H new ATOM 0 HB2 ARG A 82 13.472 -18.468 -22.866 1.00 35.30 H new ATOM 0 HB3 ARG A 82 13.271 -19.167 -24.460 1.00 35.30 H new ATOM 0 HG2 ARG A 82 12.863 -16.846 -25.382 1.00 35.11 H new ATOM 0 HG3 ARG A 82 13.181 -16.188 -23.790 1.00 35.11 H new ATOM 0 HD2 ARG A 82 15.498 -17.173 -23.857 1.00 22.42 H new ATOM 0 HD3 ARG A 82 15.176 -17.802 -25.461 1.00 22.42 H new ATOM 0 HE ARG A 82 15.087 -14.854 -24.868 1.00 53.50 H new ATOM 0 HH11 ARG A 82 16.190 -17.514 -26.877 1.00 74.44 H new ATOM 0 HH12 ARG A 82 16.977 -16.429 -28.028 1.00 74.44 H new ATOM 0 HH21 ARG A 82 16.118 -13.547 -26.312 1.00 45.52 H new ATOM 0 HH22 ARG A 82 16.938 -14.240 -27.716 1.00 45.52 H new ATOM 1369 N LYS A 83 10.025 -17.103 -25.091 1.00 13.23 N ATOM 1370 CA LYS A 83 9.355 -16.703 -26.354 1.00 15.52 C ATOM 1371 C LYS A 83 9.816 -15.290 -26.786 1.00 21.34 C ATOM 1372 O LYS A 83 9.764 -14.343 -25.990 1.00 23.31 O ATOM 1373 CB LYS A 83 7.801 -16.745 -26.206 1.00 72.12 C ATOM 1374 CG LYS A 83 7.190 -18.172 -26.210 1.00 74.50 C ATOM 1375 CD LYS A 83 5.638 -18.162 -26.225 1.00 73.55 C ATOM 1376 CE LYS A 83 5.025 -19.556 -26.472 1.00 13.23 C ATOM 1377 NZ LYS A 83 5.362 -20.527 -25.407 1.00 63.44 N ATOM 0 H LYS A 83 9.958 -16.398 -24.357 1.00 13.23 H new ATOM 0 HA LYS A 83 9.640 -17.417 -27.126 1.00 15.52 H new ATOM 0 HB2 LYS A 83 7.524 -16.248 -25.276 1.00 72.12 H new ATOM 0 HB3 LYS A 83 7.356 -16.171 -27.019 1.00 72.12 H new ATOM 0 HG2 LYS A 83 7.554 -18.715 -27.082 1.00 74.50 H new ATOM 0 HG3 LYS A 83 7.537 -18.713 -25.330 1.00 74.50 H new ATOM 0 HD2 LYS A 83 5.274 -17.775 -25.273 1.00 73.55 H new ATOM 0 HD3 LYS A 83 5.293 -17.478 -27.000 1.00 73.55 H new ATOM 0 HE2 LYS A 83 3.941 -19.464 -26.544 1.00 13.23 H new ATOM 0 HE3 LYS A 83 5.377 -19.938 -27.430 1.00 13.23 H new ATOM 0 HZ1 LYS A 83 4.925 -21.445 -25.624 1.00 63.44 H new ATOM 0 HZ2 LYS A 83 6.395 -20.639 -25.353 1.00 63.44 H new ATOM 0 HZ3 LYS A 83 5.004 -20.180 -24.495 1.00 63.44 H new ATOM 1391 N ARG A 84 10.281 -15.172 -28.047 1.00 75.32 N ATOM 1392 CA ARG A 84 10.677 -13.884 -28.656 1.00 64.40 C ATOM 1393 C ARG A 84 9.442 -12.953 -28.842 1.00 61.54 C ATOM 1394 O ARG A 84 8.733 -13.033 -29.851 1.00 3.41 O ATOM 1395 CB ARG A 84 11.376 -14.150 -30.026 1.00 24.23 C ATOM 1396 CG ARG A 84 11.856 -12.888 -30.786 1.00 24.33 C ATOM 1397 CD ARG A 84 13.054 -12.194 -30.124 1.00 0.52 C ATOM 1398 NE ARG A 84 14.282 -13.005 -30.218 1.00 40.12 N ATOM 1399 CZ ARG A 84 15.467 -12.658 -29.764 1.00 64.53 C ATOM 1400 NH1 ARG A 84 15.656 -11.544 -29.124 1.00 22.23 N ATOM 1401 NH2 ARG A 84 16.467 -13.451 -29.947 1.00 61.43 N ATOM 0 H ARG A 84 10.393 -15.969 -28.674 1.00 75.32 H new ATOM 0 HA ARG A 84 11.375 -13.378 -27.989 1.00 64.40 H new ATOM 0 HB2 ARG A 84 12.235 -14.799 -29.856 1.00 24.23 H new ATOM 0 HB3 ARG A 84 10.685 -14.698 -30.667 1.00 24.23 H new ATOM 0 HG2 ARG A 84 12.125 -13.167 -31.805 1.00 24.33 H new ATOM 0 HG3 ARG A 84 11.030 -12.180 -30.857 1.00 24.33 H new ATOM 0 HD2 ARG A 84 13.221 -11.227 -30.599 1.00 0.52 H new ATOM 0 HD3 ARG A 84 12.827 -12.000 -29.076 1.00 0.52 H new ATOM 0 HE ARG A 84 14.206 -13.914 -30.675 1.00 40.12 H new ATOM 0 HH11 ARG A 84 14.873 -10.910 -28.961 1.00 22.23 H new ATOM 0 HH12 ARG A 84 16.587 -11.303 -28.784 1.00 22.23 H new ATOM 0 HH21 ARG A 84 16.334 -14.335 -30.439 1.00 61.43 H new ATOM 0 HH22 ARG A 84 17.391 -13.195 -29.600 1.00 61.43 H new ATOM 1415 N LYS A 85 9.161 -12.099 -27.840 1.00 1.23 N ATOM 1416 CA LYS A 85 8.033 -11.143 -27.906 1.00 34.12 C ATOM 1417 C LYS A 85 8.455 -9.826 -28.603 1.00 63.15 C ATOM 1418 O LYS A 85 9.080 -8.945 -27.991 1.00 42.12 O ATOM 1419 CB LYS A 85 7.448 -10.877 -26.486 1.00 11.32 C ATOM 1420 CG LYS A 85 6.739 -12.099 -25.839 1.00 40.11 C ATOM 1421 CD LYS A 85 5.568 -12.649 -26.703 1.00 34.52 C ATOM 1422 CE LYS A 85 4.444 -11.614 -26.950 1.00 34.42 C ATOM 1423 NZ LYS A 85 3.409 -12.126 -27.896 1.00 24.12 N ATOM 0 H LYS A 85 9.698 -12.049 -26.974 1.00 1.23 H new ATOM 0 HA LYS A 85 7.245 -11.592 -28.511 1.00 34.12 H new ATOM 0 HB2 LYS A 85 8.256 -10.553 -25.830 1.00 11.32 H new ATOM 0 HB3 LYS A 85 6.738 -10.053 -26.549 1.00 11.32 H new ATOM 0 HG2 LYS A 85 7.469 -12.893 -25.678 1.00 40.11 H new ATOM 0 HG3 LYS A 85 6.357 -11.814 -24.859 1.00 40.11 H new ATOM 0 HD2 LYS A 85 5.961 -12.983 -27.663 1.00 34.52 H new ATOM 0 HD3 LYS A 85 5.144 -13.524 -26.211 1.00 34.52 H new ATOM 0 HE2 LYS A 85 3.973 -11.358 -26.001 1.00 34.42 H new ATOM 0 HE3 LYS A 85 4.877 -10.697 -27.349 1.00 34.42 H new ATOM 0 HZ1 LYS A 85 2.675 -11.402 -28.033 1.00 24.12 H new ATOM 0 HZ2 LYS A 85 3.853 -12.347 -28.810 1.00 24.12 H new ATOM 0 HZ3 LYS A 85 2.976 -12.987 -27.505 1.00 24.12 H new ATOM 1437 N LEU A 86 8.140 -9.738 -29.908 1.00 64.32 N ATOM 1438 CA LEU A 86 8.364 -8.532 -30.727 1.00 15.11 C ATOM 1439 C LEU A 86 7.247 -7.495 -30.455 1.00 54.12 C ATOM 1440 O LEU A 86 6.154 -7.573 -31.029 1.00 21.11 O ATOM 1441 CB LEU A 86 8.411 -8.921 -32.232 1.00 52.12 C ATOM 1442 CG LEU A 86 9.507 -9.958 -32.642 1.00 20.21 C ATOM 1443 CD1 LEU A 86 9.406 -10.309 -34.147 1.00 62.33 C ATOM 1444 CD2 LEU A 86 10.926 -9.447 -32.279 1.00 61.01 C ATOM 0 H LEU A 86 7.719 -10.508 -30.428 1.00 64.32 H new ATOM 0 HA LEU A 86 9.319 -8.081 -30.459 1.00 15.11 H new ATOM 0 HB2 LEU A 86 7.437 -9.322 -32.513 1.00 52.12 H new ATOM 0 HB3 LEU A 86 8.562 -8.013 -32.816 1.00 52.12 H new ATOM 0 HG LEU A 86 9.330 -10.872 -32.075 1.00 20.21 H new ATOM 0 HD11 LEU A 86 10.180 -11.032 -34.405 1.00 62.33 H new ATOM 0 HD12 LEU A 86 8.426 -10.737 -34.356 1.00 62.33 H new ATOM 0 HD13 LEU A 86 9.541 -9.405 -34.741 1.00 62.33 H new ATOM 0 HD21 LEU A 86 11.667 -10.189 -32.576 1.00 61.01 H new ATOM 0 HD22 LEU A 86 11.120 -8.511 -32.802 1.00 61.01 H new ATOM 0 HD23 LEU A 86 10.989 -9.282 -31.203 1.00 61.01 H new ATOM 1456 N GLU A 87 7.518 -6.565 -29.525 1.00 14.14 N ATOM 1457 CA GLU A 87 6.564 -5.503 -29.138 1.00 14.02 C ATOM 1458 C GLU A 87 6.652 -4.305 -30.117 1.00 4.44 C ATOM 1459 O GLU A 87 7.446 -3.380 -29.921 1.00 21.12 O ATOM 1460 CB GLU A 87 6.835 -5.056 -27.672 1.00 32.31 C ATOM 1461 CG GLU A 87 6.702 -6.185 -26.624 1.00 73.02 C ATOM 1462 CD GLU A 87 7.084 -5.734 -25.204 1.00 44.52 C ATOM 1463 OE1 GLU A 87 6.334 -4.939 -24.601 1.00 12.15 O ATOM 1464 OE2 GLU A 87 8.151 -6.138 -24.695 1.00 42.10 O ATOM 0 H GLU A 87 8.402 -6.525 -29.018 1.00 14.14 H new ATOM 0 HA GLU A 87 5.550 -5.899 -29.194 1.00 14.02 H new ATOM 0 HB2 GLU A 87 7.840 -4.638 -27.612 1.00 32.31 H new ATOM 0 HB3 GLU A 87 6.141 -4.255 -27.415 1.00 32.31 H new ATOM 0 HG2 GLU A 87 5.675 -6.550 -26.619 1.00 73.02 H new ATOM 0 HG3 GLU A 87 7.336 -7.022 -26.917 1.00 73.02 H new ATOM 1471 N ASN A 88 5.865 -4.366 -31.209 1.00 50.21 N ATOM 1472 CA ASN A 88 5.825 -3.301 -32.243 1.00 35.34 C ATOM 1473 C ASN A 88 4.586 -2.399 -32.066 1.00 61.55 C ATOM 1474 O ASN A 88 4.670 -1.187 -32.283 1.00 13.55 O ATOM 1475 CB ASN A 88 5.816 -3.926 -33.659 1.00 44.24 C ATOM 1476 CG ASN A 88 7.025 -4.825 -33.915 1.00 4.32 C ATOM 1477 OD1 ASN A 88 8.071 -4.370 -34.372 1.00 44.00 O ATOM 1478 ND2 ASN A 88 6.903 -6.105 -33.617 1.00 75.44 N ATOM 0 H ASN A 88 5.240 -5.149 -31.403 1.00 50.21 H new ATOM 0 HA ASN A 88 6.719 -2.688 -32.124 1.00 35.34 H new ATOM 0 HB2 ASN A 88 4.903 -4.506 -33.790 1.00 44.24 H new ATOM 0 HB3 ASN A 88 5.797 -3.130 -34.403 1.00 44.24 H new ATOM 0 HD21 ASN A 88 7.687 -6.740 -33.765 1.00 75.44 H new ATOM 0 HD22 ASN A 88 6.024 -6.459 -33.239 1.00 75.44 H new ATOM 1485 N ILE A 89 3.449 -3.012 -31.644 1.00 44.23 N ATOM 1486 CA ILE A 89 2.116 -2.354 -31.552 1.00 52.22 C ATOM 1487 C ILE A 89 1.677 -1.861 -32.965 1.00 60.15 C ATOM 1488 O ILE A 89 1.985 -0.734 -33.382 1.00 22.00 O ATOM 1489 CB ILE A 89 2.048 -1.192 -30.451 1.00 32.23 C ATOM 1490 CG1 ILE A 89 2.223 -1.752 -28.981 1.00 74.32 C ATOM 1491 CG2 ILE A 89 0.722 -0.384 -30.545 1.00 11.44 C ATOM 1492 CD1 ILE A 89 3.596 -2.316 -28.620 1.00 23.31 C ATOM 0 H ILE A 89 3.431 -3.990 -31.354 1.00 44.23 H new ATOM 0 HA ILE A 89 1.404 -3.102 -31.202 1.00 52.22 H new ATOM 0 HB ILE A 89 2.882 -0.524 -30.667 1.00 32.23 H new ATOM 0 HG12 ILE A 89 1.990 -0.949 -28.281 1.00 74.32 H new ATOM 0 HG13 ILE A 89 1.482 -2.536 -28.825 1.00 74.32 H new ATOM 0 HG21 ILE A 89 0.715 0.394 -29.782 1.00 11.44 H new ATOM 0 HG22 ILE A 89 0.644 0.074 -31.531 1.00 11.44 H new ATOM 0 HG23 ILE A 89 -0.124 -1.053 -30.388 1.00 11.44 H new ATOM 0 HD11 ILE A 89 3.586 -2.666 -27.588 1.00 23.31 H new ATOM 0 HD12 ILE A 89 3.834 -3.148 -29.283 1.00 23.31 H new ATOM 0 HD13 ILE A 89 4.350 -1.537 -28.731 1.00 23.31 H new ATOM 1504 N VAL A 90 1.022 -2.763 -33.717 1.00 64.32 N ATOM 1505 CA VAL A 90 0.632 -2.531 -35.133 1.00 63.04 C ATOM 1506 C VAL A 90 -0.678 -1.678 -35.250 1.00 15.13 C ATOM 1507 O VAL A 90 -1.709 -2.028 -34.630 1.00 36.73 O ATOM 1508 CB VAL A 90 0.516 -3.904 -35.922 1.00 13.11 C ATOM 1509 CG1 VAL A 90 -0.497 -4.881 -35.273 1.00 2.21 C ATOM 1510 CG2 VAL A 90 0.201 -3.669 -37.423 1.00 12.51 C ATOM 1511 OXT VAL A 90 -0.669 -0.642 -35.954 1.00 36.73 O ATOM 0 H VAL A 90 0.744 -3.679 -33.365 1.00 64.32 H new ATOM 0 HA VAL A 90 1.425 -1.947 -35.600 1.00 63.04 H new ATOM 0 HB VAL A 90 1.492 -4.385 -35.858 1.00 13.11 H new ATOM 0 HG11 VAL A 90 -0.536 -5.803 -35.853 1.00 2.21 H new ATOM 0 HG12 VAL A 90 -0.183 -5.107 -34.254 1.00 2.21 H new ATOM 0 HG13 VAL A 90 -1.485 -4.421 -35.255 1.00 2.21 H new ATOM 0 HG21 VAL A 90 0.128 -4.629 -37.934 1.00 12.51 H new ATOM 0 HG22 VAL A 90 -0.745 -3.135 -37.517 1.00 12.51 H new ATOM 0 HG23 VAL A 90 0.998 -3.077 -37.874 1.00 12.51 H new TER 1521 VAL A 90