USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 591 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 1 MET N :NH3+ -122:sc= 0.451 (180deg=-3.98!) USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 0.997 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00732 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.0246 X(o=-0.025,f=-0.1) USER MOD Single : A 16 THR OG1 : rot -64:sc= 0.861 USER MOD Single : A 17 SER OG : rot -61:sc= 0.672 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0138 USER MOD Single : A 22 ASN : amide:sc= -0.582 X(o=-0.58,f=-0.09) USER MOD Single : A 23 THR OG1 : rot 153:sc= 1.19 USER MOD Single : A 28 LYS NZ :NH3+ -165:sc= -0.071 (180deg=-0.343) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -41:sc= 1.17 USER MOD Single : A 40 ASN : amide:sc= -1.08 K(o=-1.1,f=0.74) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot -60:sc= -0.612 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -160:sc= -0.13 (180deg=-0.578) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -150:sc= 0.129 (180deg=0.0348) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot -43:sc= 1.13 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 53:sc= 0.1! USER MOD Single : A 69 HIS : no HD1:sc= -5.42! C(o=-5.4!,f=-5.5!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.338 0.137 -0.215 1.00 71.52 N ATOM 2 CA MET A 1 2.073 0.115 -1.474 1.00 41.15 C ATOM 3 C MET A 1 1.410 -0.826 -2.475 1.00 51.12 C ATOM 4 O MET A 1 0.874 -0.388 -3.494 1.00 43.42 O ATOM 5 CB MET A 1 3.522 -0.314 -1.236 1.00 42.35 C ATOM 6 CG MET A 1 4.469 0.099 -2.352 1.00 20.32 C ATOM 7 SD MET A 1 5.735 1.256 -1.796 1.00 14.51 S ATOM 8 CE MET A 1 6.806 0.165 -0.864 1.00 0.02 C ATOM 0 H1 MET A 1 1.039 1.111 -0.004 1.00 71.52 H new ATOM 0 H2 MET A 1 0.499 -0.473 -0.292 1.00 71.52 H new ATOM 0 H3 MET A 1 1.950 -0.211 0.550 1.00 71.52 H new ATOM 0 HA MET A 1 2.063 1.123 -1.889 1.00 41.15 H new ATOM 0 HB2 MET A 1 3.870 0.116 -0.297 1.00 42.35 H new ATOM 0 HB3 MET A 1 3.558 -1.397 -1.123 1.00 42.35 H new ATOM 0 HG2 MET A 1 4.949 -0.789 -2.763 1.00 20.32 H new ATOM 0 HG3 MET A 1 3.896 0.554 -3.160 1.00 20.32 H new ATOM 0 HE1 MET A 1 7.640 0.736 -0.455 1.00 0.02 H new ATOM 0 HE2 MET A 1 6.243 -0.289 -0.049 1.00 0.02 H new ATOM 0 HE3 MET A 1 7.189 -0.617 -1.520 1.00 0.02 H new ATOM 18 N LEU A 2 1.449 -2.120 -2.179 1.00 63.30 N ATOM 19 CA LEU A 2 0.852 -3.124 -3.053 1.00 40.24 C ATOM 20 C LEU A 2 -0.442 -3.666 -2.455 1.00 53.05 C ATOM 21 O LEU A 2 -0.465 -4.129 -1.314 1.00 74.13 O ATOM 22 CB LEU A 2 1.836 -4.270 -3.293 1.00 71.23 C ATOM 23 CG LEU A 2 1.248 -5.542 -3.906 1.00 21.14 C ATOM 24 CD1 LEU A 2 2.270 -6.225 -4.802 1.00 12.33 C ATOM 25 CD2 LEU A 2 0.776 -6.491 -2.813 1.00 54.45 C ATOM 0 H LEU A 2 1.888 -2.499 -1.340 1.00 63.30 H new ATOM 0 HA LEU A 2 0.619 -2.648 -4.006 1.00 40.24 H new ATOM 0 HB2 LEU A 2 2.630 -3.909 -3.946 1.00 71.23 H new ATOM 0 HB3 LEU A 2 2.299 -4.530 -2.341 1.00 71.23 H new ATOM 0 HG LEU A 2 0.388 -5.265 -4.516 1.00 21.14 H new ATOM 0 HD11 LEU A 2 1.834 -7.128 -5.229 1.00 12.33 H new ATOM 0 HD12 LEU A 2 2.560 -5.547 -5.605 1.00 12.33 H new ATOM 0 HD13 LEU A 2 3.149 -6.490 -4.215 1.00 12.33 H new ATOM 0 HD21 LEU A 2 0.360 -7.391 -3.267 1.00 54.45 H new ATOM 0 HD22 LEU A 2 1.619 -6.761 -2.177 1.00 54.45 H new ATOM 0 HD23 LEU A 2 0.010 -6.001 -2.212 1.00 54.45 H new ATOM 37 N LEU A 3 -1.517 -3.607 -3.234 1.00 33.43 N ATOM 38 CA LEU A 3 -2.816 -4.095 -2.782 1.00 50.23 C ATOM 39 C LEU A 3 -3.539 -4.836 -3.902 1.00 63.14 C ATOM 40 O LEU A 3 -3.378 -4.514 -5.080 1.00 23.32 O ATOM 41 CB LEU A 3 -3.676 -2.930 -2.288 1.00 72.41 C ATOM 42 CG LEU A 3 -4.394 -2.120 -3.368 1.00 62.23 C ATOM 43 CD1 LEU A 3 -5.305 -1.079 -2.737 1.00 42.45 C ATOM 44 CD2 LEU A 3 -3.386 -1.458 -4.296 1.00 62.13 C ATOM 0 H LEU A 3 -1.515 -3.227 -4.180 1.00 33.43 H new ATOM 0 HA LEU A 3 -2.649 -4.791 -1.960 1.00 50.23 H new ATOM 0 HB2 LEU A 3 -4.424 -3.323 -1.600 1.00 72.41 H new ATOM 0 HB3 LEU A 3 -3.041 -2.253 -1.716 1.00 72.41 H new ATOM 0 HG LEU A 3 -5.008 -2.800 -3.958 1.00 62.23 H new ATOM 0 HD11 LEU A 3 -5.808 -0.512 -3.521 1.00 42.45 H new ATOM 0 HD12 LEU A 3 -6.049 -1.576 -2.115 1.00 42.45 H new ATOM 0 HD13 LEU A 3 -4.712 -0.401 -2.122 1.00 42.45 H new ATOM 0 HD21 LEU A 3 -3.914 -0.886 -5.058 1.00 62.13 H new ATOM 0 HD22 LEU A 3 -2.745 -0.790 -3.720 1.00 62.13 H new ATOM 0 HD23 LEU A 3 -2.775 -2.223 -4.775 1.00 62.13 H new ATOM 56 N LYS A 4 -4.338 -5.830 -3.528 1.00 2.50 N ATOM 57 CA LYS A 4 -5.089 -6.615 -4.500 1.00 31.45 C ATOM 58 C LYS A 4 -6.583 -6.326 -4.395 1.00 11.10 C ATOM 59 O LYS A 4 -7.226 -6.677 -3.406 1.00 20.43 O ATOM 60 CB LYS A 4 -4.832 -8.109 -4.286 1.00 51.13 C ATOM 61 CG LYS A 4 -5.755 -9.006 -5.093 1.00 21.12 C ATOM 62 CD LYS A 4 -5.333 -10.463 -5.004 1.00 75.33 C ATOM 63 CE LYS A 4 -4.288 -10.806 -6.055 1.00 12.03 C ATOM 64 NZ LYS A 4 -3.497 -12.010 -5.678 1.00 33.20 N ATOM 0 H LYS A 4 -4.482 -6.111 -2.558 1.00 2.50 H new ATOM 0 HA LYS A 4 -4.751 -6.333 -5.497 1.00 31.45 H new ATOM 0 HB2 LYS A 4 -3.799 -8.333 -4.551 1.00 51.13 H new ATOM 0 HB3 LYS A 4 -4.948 -8.341 -3.227 1.00 51.13 H new ATOM 0 HG2 LYS A 4 -6.777 -8.899 -4.730 1.00 21.12 H new ATOM 0 HG3 LYS A 4 -5.753 -8.688 -6.136 1.00 21.12 H new ATOM 0 HD2 LYS A 4 -4.932 -10.667 -4.011 1.00 75.33 H new ATOM 0 HD3 LYS A 4 -6.205 -11.104 -5.134 1.00 75.33 H new ATOM 0 HE2 LYS A 4 -4.779 -10.979 -7.013 1.00 12.03 H new ATOM 0 HE3 LYS A 4 -3.617 -9.958 -6.190 1.00 12.03 H new ATOM 0 HZ1 LYS A 4 -2.796 -12.211 -6.419 1.00 33.20 H new ATOM 0 HZ2 LYS A 4 -3.008 -11.836 -4.777 1.00 33.20 H new ATOM 0 HZ3 LYS A 4 -4.134 -12.825 -5.574 1.00 33.20 H new ATOM 78 N VAL A 5 -7.130 -5.684 -5.422 1.00 72.15 N ATOM 79 CA VAL A 5 -8.549 -5.350 -5.447 1.00 52.11 C ATOM 80 C VAL A 5 -9.323 -6.304 -6.350 1.00 41.22 C ATOM 81 O VAL A 5 -8.963 -6.508 -7.510 1.00 30.33 O ATOM 82 CB VAL A 5 -8.777 -3.905 -5.930 1.00 32.13 C ATOM 83 CG1 VAL A 5 -8.126 -2.914 -4.976 1.00 74.54 C ATOM 84 CG2 VAL A 5 -8.245 -3.726 -7.343 1.00 43.24 C ATOM 0 H VAL A 5 -6.612 -5.385 -6.248 1.00 72.15 H new ATOM 0 HA VAL A 5 -8.914 -5.446 -4.425 1.00 52.11 H new ATOM 0 HB VAL A 5 -9.849 -3.709 -5.943 1.00 32.13 H new ATOM 0 HG11 VAL A 5 -8.297 -1.899 -5.333 1.00 74.54 H new ATOM 0 HG12 VAL A 5 -8.560 -3.027 -3.982 1.00 74.54 H new ATOM 0 HG13 VAL A 5 -7.054 -3.106 -4.928 1.00 74.54 H new ATOM 0 HG21 VAL A 5 -8.414 -2.700 -7.668 1.00 43.24 H new ATOM 0 HG22 VAL A 5 -7.176 -3.940 -7.359 1.00 43.24 H new ATOM 0 HG23 VAL A 5 -8.762 -4.410 -8.016 1.00 43.24 H new ATOM 94 N LYS A 6 -10.389 -6.886 -5.811 1.00 41.14 N ATOM 95 CA LYS A 6 -11.217 -7.818 -6.568 1.00 4.11 C ATOM 96 C LYS A 6 -12.689 -7.426 -6.489 1.00 44.44 C ATOM 97 O LYS A 6 -13.259 -7.329 -5.402 1.00 54.45 O ATOM 98 CB LYS A 6 -11.029 -9.242 -6.041 1.00 63.31 C ATOM 99 CG LYS A 6 -11.267 -9.375 -4.547 1.00 12.41 C ATOM 100 CD LYS A 6 -10.163 -10.173 -3.875 1.00 0.05 C ATOM 101 CE LYS A 6 -10.677 -10.911 -2.648 1.00 4.24 C ATOM 102 NZ LYS A 6 -11.239 -12.244 -2.998 1.00 35.34 N ATOM 0 H LYS A 6 -10.700 -6.729 -4.852 1.00 41.14 H new ATOM 0 HA LYS A 6 -10.904 -7.778 -7.611 1.00 4.11 H new ATOM 0 HB2 LYS A 6 -11.710 -9.909 -6.570 1.00 63.31 H new ATOM 0 HB3 LYS A 6 -10.016 -9.574 -6.270 1.00 63.31 H new ATOM 0 HG2 LYS A 6 -11.326 -8.384 -4.097 1.00 12.41 H new ATOM 0 HG3 LYS A 6 -12.227 -9.862 -4.373 1.00 12.41 H new ATOM 0 HD2 LYS A 6 -9.747 -10.889 -4.584 1.00 0.05 H new ATOM 0 HD3 LYS A 6 -9.353 -9.503 -3.586 1.00 0.05 H new ATOM 0 HE2 LYS A 6 -9.864 -11.036 -1.932 1.00 4.24 H new ATOM 0 HE3 LYS A 6 -11.444 -10.311 -2.158 1.00 4.24 H new ATOM 0 HZ1 LYS A 6 -11.578 -12.715 -2.135 1.00 35.34 H new ATOM 0 HZ2 LYS A 6 -12.031 -12.124 -3.661 1.00 35.34 H new ATOM 0 HZ3 LYS A 6 -10.501 -12.826 -3.443 1.00 35.34 H new ATOM 116 N THR A 7 -13.300 -7.202 -7.649 1.00 4.11 N ATOM 117 CA THR A 7 -14.705 -6.821 -7.711 1.00 41.22 C ATOM 118 C THR A 7 -15.608 -8.049 -7.711 1.00 11.33 C ATOM 119 O THR A 7 -15.141 -9.176 -7.873 1.00 44.13 O ATOM 120 CB THR A 7 -15.003 -5.978 -8.966 1.00 33.52 C ATOM 121 OG1 THR A 7 -13.799 -5.370 -9.446 1.00 20.35 O ATOM 122 CG2 THR A 7 -16.035 -4.902 -8.662 1.00 62.33 C ATOM 0 H THR A 7 -12.843 -7.278 -8.558 1.00 4.11 H new ATOM 0 HA THR A 7 -14.910 -6.223 -6.823 1.00 41.22 H new ATOM 0 HB THR A 7 -15.406 -6.639 -9.734 1.00 33.52 H new ATOM 0 HG1 THR A 7 -13.997 -4.838 -10.245 1.00 20.35 H new ATOM 0 HG21 THR A 7 -16.229 -4.320 -9.563 1.00 62.33 H new ATOM 0 HG22 THR A 7 -16.960 -5.370 -8.326 1.00 62.33 H new ATOM 0 HG23 THR A 7 -15.656 -4.245 -7.880 1.00 62.33 H new ATOM 130 N VAL A 8 -16.905 -7.823 -7.528 1.00 34.44 N ATOM 131 CA VAL A 8 -17.875 -8.912 -7.508 1.00 11.00 C ATOM 132 C VAL A 8 -17.977 -9.582 -8.874 1.00 0.14 C ATOM 133 O VAL A 8 -18.567 -10.654 -9.008 1.00 42.11 O ATOM 134 CB VAL A 8 -19.270 -8.413 -7.088 1.00 34.13 C ATOM 135 CG1 VAL A 8 -19.830 -7.454 -8.127 1.00 74.43 C ATOM 136 CG2 VAL A 8 -20.213 -9.588 -6.871 1.00 43.40 C ATOM 0 H VAL A 8 -17.308 -6.896 -7.392 1.00 34.44 H new ATOM 0 HA VAL A 8 -17.521 -9.638 -6.776 1.00 11.00 H new ATOM 0 HB VAL A 8 -19.175 -7.874 -6.146 1.00 34.13 H new ATOM 0 HG11 VAL A 8 -20.816 -7.112 -7.813 1.00 74.43 H new ATOM 0 HG12 VAL A 8 -19.164 -6.597 -8.228 1.00 74.43 H new ATOM 0 HG13 VAL A 8 -19.912 -7.964 -9.087 1.00 74.43 H new ATOM 0 HG21 VAL A 8 -21.194 -9.217 -6.575 1.00 43.40 H new ATOM 0 HG22 VAL A 8 -20.304 -10.157 -7.796 1.00 43.40 H new ATOM 0 HG23 VAL A 8 -19.817 -10.233 -6.086 1.00 43.40 H new ATOM 146 N SER A 9 -17.398 -8.943 -9.885 1.00 4.21 N ATOM 147 CA SER A 9 -17.426 -9.475 -11.242 1.00 62.21 C ATOM 148 C SER A 9 -16.242 -10.406 -11.485 1.00 63.12 C ATOM 149 O SER A 9 -15.950 -10.772 -12.623 1.00 25.23 O ATOM 150 CB SER A 9 -17.409 -8.334 -12.261 1.00 12.23 C ATOM 151 OG SER A 9 -18.722 -8.009 -12.684 1.00 10.21 O ATOM 0 H SER A 9 -16.904 -8.056 -9.790 1.00 4.21 H new ATOM 0 HA SER A 9 -18.346 -10.046 -11.362 1.00 62.21 H new ATOM 0 HB2 SER A 9 -16.938 -7.456 -11.820 1.00 12.23 H new ATOM 0 HB3 SER A 9 -16.806 -8.621 -13.123 1.00 12.23 H new ATOM 0 HG SER A 9 -18.684 -7.276 -13.333 1.00 10.21 H new ATOM 157 N ASN A 10 -15.564 -10.785 -10.407 1.00 3.24 N ATOM 158 CA ASN A 10 -14.411 -11.673 -10.501 1.00 44.45 C ATOM 159 C ASN A 10 -13.247 -10.980 -11.204 1.00 51.14 C ATOM 160 O ASN A 10 -12.487 -11.611 -11.939 1.00 45.41 O ATOM 161 CB ASN A 10 -14.786 -12.952 -11.252 1.00 41.12 C ATOM 162 CG ASN A 10 -14.320 -14.203 -10.532 1.00 44.44 C ATOM 163 OD1 ASN A 10 -14.790 -14.514 -9.438 1.00 62.21 O ATOM 164 ND2 ASN A 10 -13.390 -14.926 -11.146 1.00 1.15 N ATOM 0 H ASN A 10 -15.793 -10.491 -9.458 1.00 3.24 H new ATOM 0 HA ASN A 10 -14.099 -11.932 -9.489 1.00 44.45 H new ATOM 0 HB2 ASN A 10 -15.868 -12.991 -11.380 1.00 41.12 H new ATOM 0 HB3 ASN A 10 -14.348 -12.926 -12.250 1.00 41.12 H new ATOM 0 HD21 ASN A 10 -13.036 -15.778 -10.711 1.00 1.15 H new ATOM 0 HD22 ASN A 10 -13.029 -14.629 -12.053 1.00 1.15 H new ATOM 171 N LYS A 11 -13.114 -9.678 -10.974 1.00 30.23 N ATOM 172 CA LYS A 11 -12.043 -8.898 -11.582 1.00 62.32 C ATOM 173 C LYS A 11 -10.991 -8.518 -10.546 1.00 4.54 C ATOM 174 O LYS A 11 -11.077 -7.463 -9.917 1.00 13.40 O ATOM 175 CB LYS A 11 -12.611 -7.636 -12.235 1.00 63.34 C ATOM 176 CG LYS A 11 -13.399 -7.910 -13.504 1.00 71.34 C ATOM 177 CD LYS A 11 -13.727 -6.625 -14.246 1.00 32.04 C ATOM 178 CE LYS A 11 -14.368 -6.908 -15.596 1.00 22.23 C ATOM 179 NZ LYS A 11 -13.742 -6.109 -16.685 1.00 63.12 N ATOM 0 H LYS A 11 -13.736 -9.140 -10.370 1.00 30.23 H new ATOM 0 HA LYS A 11 -11.568 -9.513 -12.347 1.00 62.32 H new ATOM 0 HB2 LYS A 11 -13.256 -7.126 -11.520 1.00 63.34 H new ATOM 0 HB3 LYS A 11 -11.791 -6.956 -12.466 1.00 63.34 H new ATOM 0 HG2 LYS A 11 -12.825 -8.570 -14.154 1.00 71.34 H new ATOM 0 HG3 LYS A 11 -14.322 -8.433 -13.254 1.00 71.34 H new ATOM 0 HD2 LYS A 11 -14.401 -6.017 -13.642 1.00 32.04 H new ATOM 0 HD3 LYS A 11 -12.816 -6.044 -14.389 1.00 32.04 H new ATOM 0 HE2 LYS A 11 -14.277 -7.970 -15.826 1.00 22.23 H new ATOM 0 HE3 LYS A 11 -15.433 -6.683 -15.547 1.00 22.23 H new ATOM 0 HZ1 LYS A 11 -14.206 -6.330 -17.589 1.00 63.12 H new ATOM 0 HZ2 LYS A 11 -13.851 -5.096 -16.479 1.00 63.12 H new ATOM 0 HZ3 LYS A 11 -12.731 -6.342 -16.749 1.00 63.12 H new ATOM 193 N VAL A 12 -9.996 -9.383 -10.373 1.00 52.50 N ATOM 194 CA VAL A 12 -8.926 -9.135 -9.415 1.00 24.44 C ATOM 195 C VAL A 12 -7.735 -8.457 -10.083 1.00 71.22 C ATOM 196 O VAL A 12 -7.294 -8.871 -11.156 1.00 20.33 O ATOM 197 CB VAL A 12 -8.452 -10.443 -8.752 1.00 52.13 C ATOM 198 CG1 VAL A 12 -7.467 -10.148 -7.631 1.00 54.23 C ATOM 199 CG2 VAL A 12 -9.641 -11.238 -8.233 1.00 50.52 C ATOM 0 H VAL A 12 -9.909 -10.261 -10.884 1.00 52.50 H new ATOM 0 HA VAL A 12 -9.334 -8.475 -8.650 1.00 24.44 H new ATOM 0 HB VAL A 12 -7.941 -11.046 -9.503 1.00 52.13 H new ATOM 0 HG11 VAL A 12 -7.144 -11.084 -7.175 1.00 54.23 H new ATOM 0 HG12 VAL A 12 -6.601 -9.624 -8.036 1.00 54.23 H new ATOM 0 HG13 VAL A 12 -7.949 -9.525 -6.878 1.00 54.23 H new ATOM 0 HG21 VAL A 12 -9.288 -12.159 -7.768 1.00 50.52 H new ATOM 0 HG22 VAL A 12 -10.182 -10.644 -7.497 1.00 50.52 H new ATOM 0 HG23 VAL A 12 -10.305 -11.482 -9.062 1.00 50.52 H new ATOM 209 N ILE A 13 -7.219 -7.414 -9.443 1.00 13.43 N ATOM 210 CA ILE A 13 -6.078 -6.679 -9.975 1.00 14.11 C ATOM 211 C ILE A 13 -5.035 -6.424 -8.892 1.00 70.43 C ATOM 212 O ILE A 13 -5.301 -5.731 -7.912 1.00 14.55 O ATOM 213 CB ILE A 13 -6.510 -5.331 -10.583 1.00 34.44 C ATOM 214 CG1 ILE A 13 -7.537 -5.555 -11.695 1.00 43.53 C ATOM 215 CG2 ILE A 13 -5.300 -4.578 -11.114 1.00 53.20 C ATOM 216 CD1 ILE A 13 -7.007 -6.376 -12.850 1.00 32.02 C ATOM 0 H ILE A 13 -7.573 -7.058 -8.555 1.00 13.43 H new ATOM 0 HA ILE A 13 -5.641 -7.298 -10.758 1.00 14.11 H new ATOM 0 HB ILE A 13 -6.974 -4.728 -9.802 1.00 34.44 H new ATOM 0 HG12 ILE A 13 -8.411 -6.054 -11.276 1.00 43.53 H new ATOM 0 HG13 ILE A 13 -7.871 -4.588 -12.070 1.00 43.53 H new ATOM 0 HG21 ILE A 13 -5.621 -3.628 -11.540 1.00 53.20 H new ATOM 0 HG22 ILE A 13 -4.601 -4.392 -10.299 1.00 53.20 H new ATOM 0 HG23 ILE A 13 -4.810 -5.174 -11.884 1.00 53.20 H new ATOM 0 HD11 ILE A 13 -7.788 -6.495 -13.601 1.00 32.02 H new ATOM 0 HD12 ILE A 13 -6.151 -5.868 -13.294 1.00 32.02 H new ATOM 0 HD13 ILE A 13 -6.699 -7.357 -12.488 1.00 32.02 H new ATOM 228 N GLN A 14 -3.847 -6.989 -9.079 1.00 64.41 N ATOM 229 CA GLN A 14 -2.762 -6.822 -8.118 1.00 74.45 C ATOM 230 C GLN A 14 -1.742 -5.806 -8.620 1.00 71.04 C ATOM 231 O GLN A 14 -1.038 -6.051 -9.601 1.00 33.14 O ATOM 232 CB GLN A 14 -2.076 -8.164 -7.854 1.00 12.43 C ATOM 233 CG GLN A 14 -1.236 -8.178 -6.587 1.00 14.33 C ATOM 234 CD GLN A 14 0.148 -8.753 -6.810 1.00 61.35 C ATOM 235 OE1 GLN A 14 0.887 -8.301 -7.685 1.00 43.40 O ATOM 236 NE2 GLN A 14 0.507 -9.757 -6.019 1.00 61.41 N ATOM 0 H GLN A 14 -3.611 -7.566 -9.886 1.00 64.41 H new ATOM 0 HA GLN A 14 -3.189 -6.451 -7.186 1.00 74.45 H new ATOM 0 HB2 GLN A 14 -2.835 -8.943 -7.786 1.00 12.43 H new ATOM 0 HB3 GLN A 14 -1.440 -8.411 -8.704 1.00 12.43 H new ATOM 0 HG2 GLN A 14 -1.145 -7.161 -6.205 1.00 14.33 H new ATOM 0 HG3 GLN A 14 -1.749 -8.762 -5.822 1.00 14.33 H new ATOM 0 HE21 GLN A 14 -0.137 -10.100 -5.307 1.00 61.41 H new ATOM 0 HE22 GLN A 14 1.427 -10.185 -6.124 1.00 61.41 H new ATOM 245 N ILE A 15 -1.668 -4.665 -7.943 1.00 30.52 N ATOM 246 CA ILE A 15 -0.733 -3.613 -8.320 1.00 52.31 C ATOM 247 C ILE A 15 0.230 -3.299 -7.181 1.00 3.24 C ATOM 248 O ILE A 15 -0.095 -3.486 -6.008 1.00 22.04 O ATOM 249 CB ILE A 15 -1.471 -2.323 -8.724 1.00 12.44 C ATOM 250 CG1 ILE A 15 -2.354 -1.833 -7.574 1.00 4.14 C ATOM 251 CG2 ILE A 15 -2.304 -2.558 -9.975 1.00 34.25 C ATOM 252 CD1 ILE A 15 -3.741 -2.437 -7.577 1.00 4.51 C ATOM 0 H ILE A 15 -2.245 -4.446 -7.131 1.00 30.52 H new ATOM 0 HA ILE A 15 -0.170 -3.983 -9.177 1.00 52.31 H new ATOM 0 HB ILE A 15 -0.731 -1.553 -8.943 1.00 12.44 H new ATOM 0 HG12 ILE A 15 -1.867 -2.067 -6.627 1.00 4.14 H new ATOM 0 HG13 ILE A 15 -2.439 -0.748 -7.629 1.00 4.14 H new ATOM 0 HG21 ILE A 15 -2.819 -1.637 -10.247 1.00 34.25 H new ATOM 0 HG22 ILE A 15 -1.653 -2.865 -10.793 1.00 34.25 H new ATOM 0 HG23 ILE A 15 -3.038 -3.341 -9.782 1.00 34.25 H new ATOM 0 HD11 ILE A 15 -4.311 -2.045 -6.735 1.00 4.51 H new ATOM 0 HD12 ILE A 15 -4.247 -2.181 -8.508 1.00 4.51 H new ATOM 0 HD13 ILE A 15 -3.666 -3.521 -7.491 1.00 4.51 H new ATOM 264 N THR A 16 1.419 -2.818 -7.533 1.00 54.21 N ATOM 265 CA THR A 16 2.430 -2.477 -6.541 1.00 11.43 C ATOM 266 C THR A 16 2.914 -1.042 -6.720 1.00 64.51 C ATOM 267 O THR A 16 4.103 -0.800 -6.930 1.00 31.31 O ATOM 268 CB THR A 16 3.638 -3.428 -6.620 1.00 65.41 C ATOM 269 OG1 THR A 16 4.654 -3.008 -5.702 1.00 60.32 O ATOM 270 CG2 THR A 16 4.207 -3.465 -8.031 1.00 34.22 C ATOM 0 H THR A 16 1.705 -2.656 -8.499 1.00 54.21 H new ATOM 0 HA THR A 16 1.960 -2.580 -5.563 1.00 11.43 H new ATOM 0 HB THR A 16 3.301 -4.430 -6.355 1.00 65.41 H new ATOM 0 HG1 THR A 16 4.993 -2.128 -5.969 1.00 60.32 H new ATOM 0 HG21 THR A 16 5.059 -4.144 -8.062 1.00 34.22 H new ATOM 0 HG22 THR A 16 3.441 -3.813 -8.723 1.00 34.22 H new ATOM 0 HG23 THR A 16 4.529 -2.465 -8.320 1.00 34.22 H new ATOM 278 N SER A 17 1.987 -0.094 -6.636 1.00 34.44 N ATOM 279 CA SER A 17 2.319 1.317 -6.792 1.00 23.21 C ATOM 280 C SER A 17 1.131 2.199 -6.421 1.00 43.31 C ATOM 281 O SER A 17 0.466 2.763 -7.291 1.00 72.42 O ATOM 282 CB SER A 17 2.753 1.604 -8.231 1.00 22.04 C ATOM 283 OG SER A 17 2.755 2.996 -8.494 1.00 41.33 O ATOM 0 H SER A 17 0.999 -0.278 -6.461 1.00 34.44 H new ATOM 0 HA SER A 17 3.144 1.548 -6.118 1.00 23.21 H new ATOM 0 HB2 SER A 17 3.750 1.197 -8.402 1.00 22.04 H new ATOM 0 HB3 SER A 17 2.080 1.100 -8.925 1.00 22.04 H new ATOM 0 HG SER A 17 1.850 3.353 -8.376 1.00 41.33 H new ATOM 289 N LEU A 18 0.871 2.315 -5.124 1.00 34.13 N ATOM 290 CA LEU A 18 -0.237 3.129 -4.635 1.00 73.25 C ATOM 291 C LEU A 18 0.273 4.418 -4.000 1.00 51.33 C ATOM 292 O LEU A 18 1.399 4.477 -3.506 1.00 23.13 O ATOM 293 CB LEU A 18 -1.067 2.340 -3.620 1.00 44.24 C ATOM 294 CG LEU A 18 -2.520 2.065 -4.010 1.00 5.24 C ATOM 295 CD1 LEU A 18 -3.338 3.346 -3.955 1.00 34.44 C ATOM 296 CD2 LEU A 18 -2.592 1.443 -5.397 1.00 5.15 C ATOM 0 H LEU A 18 1.412 1.856 -4.391 1.00 34.13 H new ATOM 0 HA LEU A 18 -0.867 3.389 -5.486 1.00 73.25 H new ATOM 0 HB2 LEU A 18 -0.573 1.385 -3.441 1.00 44.24 H new ATOM 0 HB3 LEU A 18 -1.062 2.884 -2.675 1.00 44.24 H new ATOM 0 HG LEU A 18 -2.941 1.358 -3.295 1.00 5.24 H new ATOM 0 HD11 LEU A 18 -4.369 3.132 -4.236 1.00 34.44 H new ATOM 0 HD12 LEU A 18 -3.314 3.750 -2.943 1.00 34.44 H new ATOM 0 HD13 LEU A 18 -2.918 4.076 -4.647 1.00 34.44 H new ATOM 0 HD21 LEU A 18 -3.633 1.254 -5.658 1.00 5.15 H new ATOM 0 HD22 LEU A 18 -2.154 2.126 -6.125 1.00 5.15 H new ATOM 0 HD23 LEU A 18 -2.040 0.503 -5.403 1.00 5.15 H new ATOM 308 N THR A 19 -0.564 5.451 -4.015 1.00 73.12 N ATOM 309 CA THR A 19 -0.199 6.739 -3.440 1.00 51.31 C ATOM 310 C THR A 19 -0.374 6.735 -1.926 1.00 24.22 C ATOM 311 O THR A 19 -0.814 5.743 -1.345 1.00 73.31 O ATOM 312 CB THR A 19 -1.042 7.881 -4.039 1.00 42.12 C ATOM 313 OG1 THR A 19 -1.612 7.467 -5.286 1.00 34.15 O ATOM 314 CG2 THR A 19 -0.193 9.125 -4.253 1.00 11.41 C ATOM 0 H THR A 19 -1.500 5.420 -4.420 1.00 73.12 H new ATOM 0 HA THR A 19 0.851 6.906 -3.681 1.00 51.31 H new ATOM 0 HB THR A 19 -1.840 8.121 -3.336 1.00 42.12 H new ATOM 0 HG1 THR A 19 -2.148 8.198 -5.659 1.00 34.15 H new ATOM 0 HG21 THR A 19 -0.810 9.918 -4.677 1.00 11.41 H new ATOM 0 HG22 THR A 19 0.216 9.455 -3.298 1.00 11.41 H new ATOM 0 HG23 THR A 19 0.623 8.895 -4.938 1.00 11.41 H new ATOM 322 N ASP A 20 -0.026 7.849 -1.292 1.00 12.23 N ATOM 323 CA ASP A 20 -0.146 7.974 0.156 1.00 14.23 C ATOM 324 C ASP A 20 -1.015 9.172 0.528 1.00 30.11 C ATOM 325 O ASP A 20 -1.110 9.543 1.698 1.00 1.11 O ATOM 326 CB ASP A 20 1.237 8.114 0.794 1.00 33.01 C ATOM 327 CG ASP A 20 2.231 8.798 -0.123 1.00 51.34 C ATOM 328 OD1 ASP A 20 2.751 8.128 -1.040 1.00 40.44 O ATOM 329 OD2 ASP A 20 2.488 10.004 0.075 1.00 62.11 O ATOM 0 H ASP A 20 0.342 8.679 -1.758 1.00 12.23 H new ATOM 0 HA ASP A 20 -0.623 7.070 0.535 1.00 14.23 H new ATOM 0 HB2 ASP A 20 1.151 8.682 1.720 1.00 33.01 H new ATOM 0 HB3 ASP A 20 1.613 7.126 1.060 1.00 33.01 H new ATOM 334 N ASP A 21 -1.646 9.773 -0.475 1.00 21.52 N ATOM 335 CA ASP A 21 -2.507 10.929 -0.254 1.00 21.44 C ATOM 336 C ASP A 21 -3.969 10.506 -0.153 1.00 72.30 C ATOM 337 O ASP A 21 -4.671 10.881 0.785 1.00 3.02 O ATOM 338 CB ASP A 21 -2.333 11.944 -1.384 1.00 14.31 C ATOM 339 CG ASP A 21 -1.701 13.238 -0.908 1.00 75.41 C ATOM 340 OD1 ASP A 21 -0.597 13.180 -0.329 1.00 63.23 O ATOM 341 OD2 ASP A 21 -2.312 14.308 -1.114 1.00 32.43 O ATOM 0 H ASP A 21 -1.577 9.479 -1.449 1.00 21.52 H new ATOM 0 HA ASP A 21 -2.216 11.393 0.688 1.00 21.44 H new ATOM 0 HB2 ASP A 21 -1.714 11.508 -2.168 1.00 14.31 H new ATOM 0 HB3 ASP A 21 -3.305 12.159 -1.828 1.00 14.31 H new ATOM 346 N ASN A 22 -4.422 9.723 -1.127 1.00 41.12 N ATOM 347 CA ASN A 22 -5.801 9.251 -1.149 1.00 75.51 C ATOM 348 C ASN A 22 -5.858 7.730 -1.035 1.00 4.23 C ATOM 349 O ASN A 22 -6.684 7.181 -0.306 1.00 34.30 O ATOM 350 CB ASN A 22 -6.497 9.702 -2.435 1.00 1.42 C ATOM 351 CG ASN A 22 -6.990 11.134 -2.353 1.00 44.30 C ATOM 352 OD1 ASN A 22 -6.503 12.012 -3.067 1.00 30.35 O ATOM 353 ND2 ASN A 22 -7.960 11.377 -1.480 1.00 32.13 N ATOM 0 H ASN A 22 -3.854 9.402 -1.911 1.00 41.12 H new ATOM 0 HA ASN A 22 -6.319 9.682 -0.292 1.00 75.51 H new ATOM 0 HB2 ASN A 22 -5.806 9.606 -3.272 1.00 1.42 H new ATOM 0 HB3 ASN A 22 -7.340 9.042 -2.640 1.00 1.42 H new ATOM 0 HD21 ASN A 22 -8.332 12.322 -1.380 1.00 32.13 H new ATOM 0 HD22 ASN A 22 -8.334 10.619 -0.909 1.00 32.13 H new ATOM 360 N THR A 23 -4.971 7.054 -1.760 1.00 14.43 N ATOM 361 CA THR A 23 -4.920 5.598 -1.741 1.00 4.14 C ATOM 362 C THR A 23 -6.232 4.995 -2.227 1.00 35.12 C ATOM 363 O THR A 23 -6.360 4.621 -3.393 1.00 53.32 O ATOM 364 CB THR A 23 -4.615 5.065 -0.328 1.00 11.22 C ATOM 365 OG1 THR A 23 -3.305 5.477 0.079 1.00 33.32 O ATOM 366 CG2 THR A 23 -4.710 3.547 -0.290 1.00 1.41 C ATOM 0 H THR A 23 -4.279 7.492 -2.367 1.00 14.43 H new ATOM 0 HA THR A 23 -4.116 5.301 -2.415 1.00 4.14 H new ATOM 0 HB THR A 23 -5.354 5.477 0.359 1.00 11.22 H new ATOM 0 HG1 THR A 23 -3.269 5.535 1.057 1.00 33.32 H new ATOM 0 HG21 THR A 23 -4.491 3.194 0.718 1.00 1.41 H new ATOM 0 HG22 THR A 23 -5.717 3.238 -0.572 1.00 1.41 H new ATOM 0 HG23 THR A 23 -3.991 3.120 -0.989 1.00 1.41 H new ATOM 374 N ILE A 24 -7.205 4.903 -1.326 1.00 54.35 N ATOM 375 CA ILE A 24 -8.509 4.347 -1.665 1.00 72.14 C ATOM 376 C ILE A 24 -9.281 5.280 -2.592 1.00 61.25 C ATOM 377 O ILE A 24 -9.787 4.859 -3.632 1.00 43.15 O ATOM 378 CB ILE A 24 -9.353 4.081 -0.405 1.00 1.13 C ATOM 379 CG1 ILE A 24 -8.609 3.139 0.544 1.00 72.42 C ATOM 380 CG2 ILE A 24 -10.706 3.499 -0.786 1.00 22.23 C ATOM 381 CD1 ILE A 24 -7.808 3.859 1.605 1.00 24.55 C ATOM 0 H ILE A 24 -7.115 5.206 -0.356 1.00 54.35 H new ATOM 0 HA ILE A 24 -8.325 3.402 -2.175 1.00 72.14 H new ATOM 0 HB ILE A 24 -9.519 5.027 0.109 1.00 1.13 H new ATOM 0 HG12 ILE A 24 -9.330 2.481 1.029 1.00 72.42 H new ATOM 0 HG13 ILE A 24 -7.940 2.505 -0.037 1.00 72.42 H new ATOM 0 HG21 ILE A 24 -11.291 3.317 0.116 1.00 22.23 H new ATOM 0 HG22 ILE A 24 -11.237 4.203 -1.427 1.00 22.23 H new ATOM 0 HG23 ILE A 24 -10.561 2.560 -1.320 1.00 22.23 H new ATOM 0 HD11 ILE A 24 -7.308 3.129 2.241 1.00 24.55 H new ATOM 0 HD12 ILE A 24 -7.063 4.496 1.129 1.00 24.55 H new ATOM 0 HD13 ILE A 24 -8.475 4.472 2.211 1.00 24.55 H new ATOM 393 N ALA A 25 -9.366 6.549 -2.209 1.00 4.43 N ATOM 394 CA ALA A 25 -10.072 7.543 -3.007 1.00 40.42 C ATOM 395 C ALA A 25 -9.482 7.641 -4.410 1.00 21.11 C ATOM 396 O ALA A 25 -10.211 7.785 -5.391 1.00 21.43 O ATOM 397 CB ALA A 25 -10.030 8.900 -2.319 1.00 61.23 C ATOM 0 H ALA A 25 -8.954 6.913 -1.350 1.00 4.43 H new ATOM 0 HA ALA A 25 -11.111 7.227 -3.099 1.00 40.42 H new ATOM 0 HB1 ALA A 25 -10.561 9.633 -2.927 1.00 61.23 H new ATOM 0 HB2 ALA A 25 -10.505 8.827 -1.341 1.00 61.23 H new ATOM 0 HB3 ALA A 25 -8.993 9.214 -2.196 1.00 61.23 H new ATOM 403 N GLU A 26 -8.158 7.563 -4.497 1.00 24.43 N ATOM 404 CA GLU A 26 -7.471 7.644 -5.780 1.00 62.14 C ATOM 405 C GLU A 26 -7.748 6.404 -6.625 1.00 62.32 C ATOM 406 O GLU A 26 -7.930 6.494 -7.840 1.00 70.01 O ATOM 407 CB GLU A 26 -5.964 7.804 -5.568 1.00 61.15 C ATOM 408 CG GLU A 26 -5.167 7.830 -6.862 1.00 3.33 C ATOM 409 CD GLU A 26 -5.460 9.057 -7.703 1.00 11.30 C ATOM 410 OE1 GLU A 26 -6.578 9.145 -8.253 1.00 41.03 O ATOM 411 OE2 GLU A 26 -4.573 9.929 -7.811 1.00 42.13 O ATOM 0 H GLU A 26 -7.540 7.444 -3.694 1.00 24.43 H new ATOM 0 HA GLU A 26 -7.850 8.517 -6.311 1.00 62.14 H new ATOM 0 HB2 GLU A 26 -5.779 8.727 -5.018 1.00 61.15 H new ATOM 0 HB3 GLU A 26 -5.604 6.985 -4.946 1.00 61.15 H new ATOM 0 HG2 GLU A 26 -4.103 7.799 -6.629 1.00 3.33 H new ATOM 0 HG3 GLU A 26 -5.393 6.935 -7.441 1.00 3.33 H new ATOM 418 N LEU A 27 -7.777 5.246 -5.974 1.00 14.20 N ATOM 419 CA LEU A 27 -8.032 3.986 -6.664 1.00 44.31 C ATOM 420 C LEU A 27 -9.455 3.942 -7.210 1.00 51.12 C ATOM 421 O LEU A 27 -9.674 3.622 -8.379 1.00 1.12 O ATOM 422 CB LEU A 27 -7.800 2.808 -5.717 1.00 63.41 C ATOM 423 CG LEU A 27 -6.671 1.850 -6.101 1.00 40.21 C ATOM 424 CD1 LEU A 27 -6.614 0.677 -5.135 1.00 12.11 C ATOM 425 CD2 LEU A 27 -6.852 1.358 -7.530 1.00 4.51 C ATOM 0 H LEU A 27 -7.627 5.154 -4.969 1.00 14.20 H new ATOM 0 HA LEU A 27 -7.339 3.912 -7.502 1.00 44.31 H new ATOM 0 HB2 LEU A 27 -7.592 3.203 -4.722 1.00 63.41 H new ATOM 0 HB3 LEU A 27 -8.726 2.237 -5.646 1.00 63.41 H new ATOM 0 HG LEU A 27 -5.726 2.390 -6.040 1.00 40.21 H new ATOM 0 HD11 LEU A 27 -5.805 0.006 -5.424 1.00 12.11 H new ATOM 0 HD12 LEU A 27 -6.436 1.046 -4.125 1.00 12.11 H new ATOM 0 HD13 LEU A 27 -7.560 0.137 -5.162 1.00 12.11 H new ATOM 0 HD21 LEU A 27 -6.040 0.678 -7.786 1.00 4.51 H new ATOM 0 HD22 LEU A 27 -7.804 0.835 -7.617 1.00 4.51 H new ATOM 0 HD23 LEU A 27 -6.841 2.208 -8.212 1.00 4.51 H new ATOM 437 N LYS A 28 -10.421 4.268 -6.357 1.00 63.45 N ATOM 438 CA LYS A 28 -11.824 4.269 -6.754 1.00 21.00 C ATOM 439 C LYS A 28 -12.090 5.337 -7.810 1.00 1.33 C ATOM 440 O LYS A 28 -12.836 5.111 -8.761 1.00 50.23 O ATOM 441 CB LYS A 28 -12.719 4.507 -5.536 1.00 31.42 C ATOM 442 CG LYS A 28 -12.523 5.869 -4.894 1.00 14.14 C ATOM 443 CD LYS A 28 -13.316 5.997 -3.604 1.00 31.44 C ATOM 444 CE LYS A 28 -14.814 5.924 -3.860 1.00 44.51 C ATOM 445 NZ LYS A 28 -15.273 7.007 -4.774 1.00 4.23 N ATOM 0 H LYS A 28 -10.257 4.535 -5.386 1.00 63.45 H new ATOM 0 HA LYS A 28 -12.055 3.294 -7.183 1.00 21.00 H new ATOM 0 HB2 LYS A 28 -13.762 4.403 -5.836 1.00 31.42 H new ATOM 0 HB3 LYS A 28 -12.522 3.733 -4.794 1.00 31.42 H new ATOM 0 HG2 LYS A 28 -11.464 6.026 -4.688 1.00 14.14 H new ATOM 0 HG3 LYS A 28 -12.832 6.648 -5.591 1.00 14.14 H new ATOM 0 HD2 LYS A 28 -13.024 5.203 -2.916 1.00 31.44 H new ATOM 0 HD3 LYS A 28 -13.074 6.943 -3.120 1.00 31.44 H new ATOM 0 HE2 LYS A 28 -15.062 4.954 -4.292 1.00 44.51 H new ATOM 0 HE3 LYS A 28 -15.348 5.997 -2.913 1.00 44.51 H new ATOM 0 HZ1 LYS A 28 -16.309 7.086 -4.726 1.00 4.23 H new ATOM 0 HZ2 LYS A 28 -14.843 7.909 -4.486 1.00 4.23 H new ATOM 0 HZ3 LYS A 28 -14.987 6.783 -5.749 1.00 4.23 H new ATOM 459 N GLY A 29 -11.473 6.502 -7.635 1.00 41.22 N ATOM 460 CA GLY A 29 -11.655 7.587 -8.582 1.00 11.25 C ATOM 461 C GLY A 29 -11.048 7.283 -9.937 1.00 30.33 C ATOM 462 O GLY A 29 -11.563 7.715 -10.968 1.00 11.41 O ATOM 0 H GLY A 29 -10.851 6.714 -6.855 1.00 41.22 H new ATOM 0 HA2 GLY A 29 -12.720 7.786 -8.701 1.00 11.25 H new ATOM 0 HA3 GLY A 29 -11.204 8.495 -8.181 1.00 11.25 H new ATOM 466 N LYS A 30 -9.948 6.537 -9.936 1.00 74.15 N ATOM 467 CA LYS A 30 -9.269 6.175 -11.175 1.00 21.54 C ATOM 468 C LYS A 30 -10.027 5.074 -11.909 1.00 72.24 C ATOM 469 O LYS A 30 -10.088 5.063 -13.140 1.00 34.34 O ATOM 470 CB LYS A 30 -7.839 5.714 -10.880 1.00 53.41 C ATOM 471 CG LYS A 30 -6.855 6.859 -10.710 1.00 30.41 C ATOM 472 CD LYS A 30 -6.391 7.399 -12.052 1.00 11.40 C ATOM 473 CE LYS A 30 -5.047 8.102 -11.935 1.00 71.24 C ATOM 474 NZ LYS A 30 -4.212 7.908 -13.153 1.00 74.23 N ATOM 0 H LYS A 30 -9.508 6.172 -9.091 1.00 74.15 H new ATOM 0 HA LYS A 30 -9.236 7.058 -11.814 1.00 21.54 H new ATOM 0 HB2 LYS A 30 -7.841 5.109 -9.973 1.00 53.41 H new ATOM 0 HB3 LYS A 30 -7.499 5.071 -11.691 1.00 53.41 H new ATOM 0 HG2 LYS A 30 -7.322 7.660 -10.137 1.00 30.41 H new ATOM 0 HG3 LYS A 30 -5.993 6.517 -10.137 1.00 30.41 H new ATOM 0 HD2 LYS A 30 -6.314 6.581 -12.768 1.00 11.40 H new ATOM 0 HD3 LYS A 30 -7.134 8.095 -12.442 1.00 11.40 H new ATOM 0 HE2 LYS A 30 -5.208 9.168 -11.771 1.00 71.24 H new ATOM 0 HE3 LYS A 30 -4.513 7.722 -11.064 1.00 71.24 H new ATOM 0 HZ1 LYS A 30 -3.305 8.402 -13.034 1.00 74.23 H new ATOM 0 HZ2 LYS A 30 -4.037 6.893 -13.296 1.00 74.23 H new ATOM 0 HZ3 LYS A 30 -4.710 8.293 -13.980 1.00 74.23 H new ATOM 488 N LEU A 31 -10.605 4.151 -11.149 1.00 22.53 N ATOM 489 CA LEU A 31 -11.361 3.046 -11.728 1.00 32.32 C ATOM 490 C LEU A 31 -12.659 3.544 -12.356 1.00 3.32 C ATOM 491 O LEU A 31 -13.017 3.144 -13.463 1.00 44.51 O ATOM 492 CB LEU A 31 -11.669 1.997 -10.658 1.00 72.51 C ATOM 493 CG LEU A 31 -11.930 0.578 -11.165 1.00 74.20 C ATOM 494 CD1 LEU A 31 -11.463 -0.448 -10.145 1.00 23.25 C ATOM 495 CD2 LEU A 31 -13.407 0.387 -11.478 1.00 33.41 C ATOM 0 H LEU A 31 -10.565 4.146 -10.130 1.00 22.53 H new ATOM 0 HA LEU A 31 -10.752 2.592 -12.509 1.00 32.32 H new ATOM 0 HB2 LEU A 31 -10.833 1.964 -9.959 1.00 72.51 H new ATOM 0 HB3 LEU A 31 -12.542 2.327 -10.095 1.00 72.51 H new ATOM 0 HG LEU A 31 -11.362 0.431 -12.084 1.00 74.20 H new ATOM 0 HD11 LEU A 31 -11.657 -1.452 -10.523 1.00 23.25 H new ATOM 0 HD12 LEU A 31 -10.394 -0.327 -9.970 1.00 23.25 H new ATOM 0 HD13 LEU A 31 -12.003 -0.302 -9.209 1.00 23.25 H new ATOM 0 HD21 LEU A 31 -13.574 -0.628 -11.838 1.00 33.41 H new ATOM 0 HD22 LEU A 31 -13.995 0.554 -10.575 1.00 33.41 H new ATOM 0 HD23 LEU A 31 -13.711 1.098 -12.246 1.00 33.41 H new ATOM 507 N GLU A 32 -13.357 4.421 -11.641 1.00 54.04 N ATOM 508 CA GLU A 32 -14.615 4.975 -12.130 1.00 65.04 C ATOM 509 C GLU A 32 -14.375 5.898 -13.322 1.00 75.52 C ATOM 510 O GLU A 32 -15.133 5.884 -14.292 1.00 21.22 O ATOM 511 CB GLU A 32 -15.329 5.740 -11.014 1.00 43.23 C ATOM 512 CG GLU A 32 -14.486 6.843 -10.397 1.00 2.23 C ATOM 513 CD GLU A 32 -14.672 8.178 -11.091 1.00 53.21 C ATOM 514 OE1 GLU A 32 -15.407 8.224 -12.100 1.00 64.34 O ATOM 515 OE2 GLU A 32 -14.084 9.177 -10.626 1.00 73.21 O ATOM 0 H GLU A 32 -13.074 4.763 -10.723 1.00 54.04 H new ATOM 0 HA GLU A 32 -15.246 4.147 -12.454 1.00 65.04 H new ATOM 0 HB2 GLU A 32 -16.246 6.175 -11.412 1.00 43.23 H new ATOM 0 HB3 GLU A 32 -15.622 5.038 -10.233 1.00 43.23 H new ATOM 0 HG2 GLU A 32 -14.745 6.947 -9.343 1.00 2.23 H new ATOM 0 HG3 GLU A 32 -13.435 6.559 -10.440 1.00 2.23 H new ATOM 522 N GLU A 33 -13.317 6.698 -13.241 1.00 13.14 N ATOM 523 CA GLU A 33 -12.979 7.628 -14.312 1.00 15.14 C ATOM 524 C GLU A 33 -12.519 6.878 -15.558 1.00 52.24 C ATOM 525 O GLU A 33 -12.807 7.287 -16.683 1.00 43.13 O ATOM 526 CB GLU A 33 -11.886 8.595 -13.852 1.00 32.22 C ATOM 527 CG GLU A 33 -11.748 9.823 -14.736 1.00 34.12 C ATOM 528 CD GLU A 33 -12.815 10.864 -14.458 1.00 54.05 C ATOM 529 OE1 GLU A 33 -12.876 11.361 -13.314 1.00 63.50 O ATOM 530 OE2 GLU A 33 -13.590 11.182 -15.385 1.00 1.12 O ATOM 0 H GLU A 33 -12.679 6.721 -12.445 1.00 13.14 H new ATOM 0 HA GLU A 33 -13.875 8.197 -14.561 1.00 15.14 H new ATOM 0 HB2 GLU A 33 -12.101 8.914 -12.832 1.00 32.22 H new ATOM 0 HB3 GLU A 33 -10.933 8.067 -13.827 1.00 32.22 H new ATOM 0 HG2 GLU A 33 -10.764 10.267 -14.584 1.00 34.12 H new ATOM 0 HG3 GLU A 33 -11.804 9.521 -15.782 1.00 34.12 H new ATOM 537 N SER A 34 -11.802 5.779 -15.349 1.00 72.44 N ATOM 538 CA SER A 34 -11.298 4.973 -16.455 1.00 43.34 C ATOM 539 C SER A 34 -12.447 4.375 -17.260 1.00 74.03 C ATOM 540 O SER A 34 -12.402 4.334 -18.489 1.00 75.33 O ATOM 541 CB SER A 34 -10.393 3.857 -15.930 1.00 43.22 C ATOM 542 OG SER A 34 -11.144 2.874 -15.240 1.00 31.12 O ATOM 0 H SER A 34 -11.557 5.426 -14.424 1.00 72.44 H new ATOM 0 HA SER A 34 -10.718 5.623 -17.110 1.00 43.34 H new ATOM 0 HB2 SER A 34 -9.860 3.395 -16.761 1.00 43.22 H new ATOM 0 HB3 SER A 34 -9.640 4.278 -15.264 1.00 43.22 H new ATOM 0 HG SER A 34 -11.829 3.311 -14.692 1.00 31.12 H new ATOM 548 N GLU A 35 -13.476 3.912 -16.557 1.00 12.41 N ATOM 549 CA GLU A 35 -14.638 3.315 -17.206 1.00 4.33 C ATOM 550 C GLU A 35 -15.574 4.393 -17.745 1.00 3.22 C ATOM 551 O GLU A 35 -16.517 4.101 -18.478 1.00 15.11 O ATOM 552 CB GLU A 35 -15.391 2.414 -16.225 1.00 3.44 C ATOM 553 CG GLU A 35 -14.738 1.057 -16.021 1.00 15.31 C ATOM 554 CD GLU A 35 -15.211 0.026 -17.027 1.00 34.11 C ATOM 555 OE1 GLU A 35 -16.431 -0.238 -17.076 1.00 30.42 O ATOM 556 OE2 GLU A 35 -14.363 -0.517 -17.765 1.00 4.24 O ATOM 0 H GLU A 35 -13.529 3.939 -15.539 1.00 12.41 H new ATOM 0 HA GLU A 35 -14.285 2.713 -18.043 1.00 4.33 H new ATOM 0 HB2 GLU A 35 -15.465 2.921 -15.263 1.00 3.44 H new ATOM 0 HB3 GLU A 35 -16.409 2.267 -16.587 1.00 3.44 H new ATOM 0 HG2 GLU A 35 -13.656 1.163 -16.097 1.00 15.31 H new ATOM 0 HG3 GLU A 35 -14.954 0.702 -15.013 1.00 15.31 H new ATOM 563 N GLY A 36 -15.305 5.642 -17.375 1.00 24.32 N ATOM 564 CA GLY A 36 -16.131 6.744 -17.829 1.00 53.51 C ATOM 565 C GLY A 36 -17.271 7.046 -16.876 1.00 71.52 C ATOM 566 O GLY A 36 -17.574 8.209 -16.608 1.00 61.41 O ATOM 0 H GLY A 36 -14.529 5.909 -16.769 1.00 24.32 H new ATOM 0 HA2 GLY A 36 -15.512 7.634 -17.944 1.00 53.51 H new ATOM 0 HA3 GLY A 36 -16.537 6.508 -18.813 1.00 53.51 H new ATOM 570 N ILE A 37 -17.906 5.996 -16.365 1.00 25.01 N ATOM 571 CA ILE A 37 -19.019 6.154 -15.437 1.00 44.32 C ATOM 572 C ILE A 37 -18.937 5.139 -14.302 1.00 42.40 C ATOM 573 O ILE A 37 -18.424 4.032 -14.462 1.00 71.42 O ATOM 574 CB ILE A 37 -20.374 6.000 -16.152 1.00 62.44 C ATOM 575 CG1 ILE A 37 -21.144 7.321 -16.124 1.00 11.32 C ATOM 576 CG2 ILE A 37 -21.190 4.890 -15.506 1.00 13.40 C ATOM 577 CD1 ILE A 37 -21.882 7.618 -17.410 1.00 53.42 C ATOM 0 H ILE A 37 -17.669 5.027 -16.578 1.00 25.01 H new ATOM 0 HA ILE A 37 -18.947 7.161 -15.026 1.00 44.32 H new ATOM 0 HB ILE A 37 -20.191 5.731 -17.192 1.00 62.44 H new ATOM 0 HG12 ILE A 37 -21.859 7.298 -15.301 1.00 11.32 H new ATOM 0 HG13 ILE A 37 -20.447 8.134 -15.918 1.00 11.32 H new ATOM 0 HG21 ILE A 37 -22.145 4.793 -16.022 1.00 13.40 H new ATOM 0 HG22 ILE A 37 -20.643 3.949 -15.575 1.00 13.40 H new ATOM 0 HG23 ILE A 37 -21.367 5.131 -14.458 1.00 13.40 H new ATOM 0 HD11 ILE A 37 -22.405 8.570 -17.318 1.00 53.42 H new ATOM 0 HD12 ILE A 37 -21.170 7.674 -18.234 1.00 53.42 H new ATOM 0 HD13 ILE A 37 -22.603 6.825 -17.607 1.00 53.42 H new ATOM 589 N PRO A 38 -19.456 5.524 -13.126 1.00 64.33 N ATOM 590 CA PRO A 38 -19.456 4.661 -11.941 1.00 64.22 C ATOM 591 C PRO A 38 -20.407 3.478 -12.086 1.00 23.34 C ATOM 592 O PRO A 38 -21.525 3.624 -12.578 1.00 64.10 O ATOM 593 CB PRO A 38 -19.928 5.594 -10.823 1.00 72.44 C ATOM 594 CG PRO A 38 -20.726 6.643 -11.517 1.00 73.35 C ATOM 595 CD PRO A 38 -20.083 6.830 -12.863 1.00 64.15 C ATOM 0 HA PRO A 38 -18.477 4.217 -11.759 1.00 64.22 H new ATOM 0 HB2 PRO A 38 -20.531 5.059 -10.089 1.00 72.44 H new ATOM 0 HB3 PRO A 38 -19.084 6.028 -10.287 1.00 72.44 H new ATOM 0 HG2 PRO A 38 -21.767 6.336 -11.621 1.00 73.35 H new ATOM 0 HG3 PRO A 38 -20.723 7.574 -10.950 1.00 73.35 H new ATOM 0 HD2 PRO A 38 -20.817 7.084 -13.627 1.00 64.15 H new ATOM 0 HD3 PRO A 38 -19.347 7.634 -12.848 1.00 64.15 H new ATOM 603 N GLY A 39 -19.955 2.305 -11.652 1.00 70.42 N ATOM 604 CA GLY A 39 -20.779 1.113 -11.742 1.00 10.41 C ATOM 605 C GLY A 39 -22.100 1.266 -11.014 1.00 23.34 C ATOM 606 O GLY A 39 -23.155 0.933 -11.552 1.00 3.13 O ATOM 0 H GLY A 39 -19.033 2.159 -11.240 1.00 70.42 H new ATOM 0 HA2 GLY A 39 -20.970 0.885 -12.791 1.00 10.41 H new ATOM 0 HA3 GLY A 39 -20.234 0.266 -11.326 1.00 10.41 H new ATOM 610 N ASN A 40 -22.041 1.769 -9.785 1.00 34.23 N ATOM 611 CA ASN A 40 -23.242 1.962 -8.980 1.00 54.33 C ATOM 612 C ASN A 40 -22.884 2.409 -7.566 1.00 61.12 C ATOM 613 O ASN A 40 -23.111 3.559 -7.191 1.00 74.33 O ATOM 614 CB ASN A 40 -24.060 0.670 -8.927 1.00 64.23 C ATOM 615 CG ASN A 40 -25.446 0.837 -9.519 1.00 44.44 C ATOM 616 OD1 ASN A 40 -25.620 0.810 -10.738 1.00 23.32 O ATOM 617 ND2 ASN A 40 -26.440 1.013 -8.657 1.00 20.21 N ATOM 0 H ASN A 40 -21.175 2.050 -9.325 1.00 34.23 H new ATOM 0 HA ASN A 40 -23.840 2.744 -9.448 1.00 54.33 H new ATOM 0 HB2 ASN A 40 -23.530 -0.115 -9.467 1.00 64.23 H new ATOM 0 HB3 ASN A 40 -24.148 0.341 -7.891 1.00 64.23 H new ATOM 0 HD21 ASN A 40 -27.394 1.133 -8.997 1.00 20.21 H new ATOM 0 HD22 ASN A 40 -26.249 1.028 -7.655 1.00 20.21 H new ATOM 624 N MET A 41 -22.322 1.491 -6.787 1.00 4.25 N ATOM 625 CA MET A 41 -21.930 1.791 -5.414 1.00 42.22 C ATOM 626 C MET A 41 -20.415 1.935 -5.300 1.00 74.52 C ATOM 627 O MET A 41 -19.917 2.837 -4.627 1.00 13.13 O ATOM 628 CB MET A 41 -22.422 0.694 -4.469 1.00 75.30 C ATOM 629 CG MET A 41 -23.813 0.952 -3.911 1.00 24.54 C ATOM 630 SD MET A 41 -24.322 -0.296 -2.713 1.00 33.03 S ATOM 631 CE MET A 41 -25.987 0.251 -2.341 1.00 43.51 C ATOM 0 H MET A 41 -22.128 0.534 -7.082 1.00 4.25 H new ATOM 0 HA MET A 41 -22.390 2.738 -5.130 1.00 42.22 H new ATOM 0 HB2 MET A 41 -22.423 -0.258 -5.000 1.00 75.30 H new ATOM 0 HB3 MET A 41 -21.720 0.597 -3.641 1.00 75.30 H new ATOM 0 HG2 MET A 41 -23.835 1.934 -3.438 1.00 24.54 H new ATOM 0 HG3 MET A 41 -24.531 0.977 -4.731 1.00 24.54 H new ATOM 0 HE1 MET A 41 -26.437 -0.422 -1.611 1.00 43.51 H new ATOM 0 HE2 MET A 41 -25.955 1.261 -1.932 1.00 43.51 H new ATOM 0 HE3 MET A 41 -26.583 0.248 -3.253 1.00 43.51 H new ATOM 641 N ILE A 42 -19.689 1.040 -5.962 1.00 34.44 N ATOM 642 CA ILE A 42 -18.232 1.068 -5.934 1.00 54.03 C ATOM 643 C ILE A 42 -17.711 1.158 -4.504 1.00 70.31 C ATOM 644 O ILE A 42 -16.902 2.028 -4.181 1.00 33.22 O ATOM 645 CB ILE A 42 -17.677 2.253 -6.746 1.00 71.04 C ATOM 646 CG1 ILE A 42 -18.409 2.370 -8.085 1.00 33.02 C ATOM 647 CG2 ILE A 42 -16.181 2.089 -6.968 1.00 21.43 C ATOM 648 CD1 ILE A 42 -19.417 3.498 -8.126 1.00 24.31 C ATOM 0 H ILE A 42 -20.086 0.287 -6.524 1.00 34.44 H new ATOM 0 HA ILE A 42 -17.890 0.136 -6.385 1.00 54.03 H new ATOM 0 HB ILE A 42 -17.843 3.170 -6.181 1.00 71.04 H new ATOM 0 HG12 ILE A 42 -17.677 2.519 -8.878 1.00 33.02 H new ATOM 0 HG13 ILE A 42 -18.919 1.430 -8.294 1.00 33.02 H new ATOM 0 HG21 ILE A 42 -15.804 2.934 -7.543 1.00 21.43 H new ATOM 0 HG22 ILE A 42 -15.672 2.050 -6.005 1.00 21.43 H new ATOM 0 HG23 ILE A 42 -15.993 1.165 -7.515 1.00 21.43 H new ATOM 0 HD11 ILE A 42 -19.897 3.521 -9.104 1.00 24.31 H new ATOM 0 HD12 ILE A 42 -20.171 3.340 -7.355 1.00 24.31 H new ATOM 0 HD13 ILE A 42 -18.909 4.446 -7.948 1.00 24.31 H new ATOM 660 N ARG A 43 -18.178 0.251 -3.652 1.00 12.21 N ATOM 661 CA ARG A 43 -17.759 0.227 -2.256 1.00 3.31 C ATOM 662 C ARG A 43 -17.026 -1.071 -1.931 1.00 2.04 C ATOM 663 O ARG A 43 -17.568 -2.163 -2.105 1.00 61.14 O ATOM 664 CB ARG A 43 -18.969 0.387 -1.335 1.00 35.45 C ATOM 665 CG ARG A 43 -18.749 1.380 -0.205 1.00 61.51 C ATOM 666 CD ARG A 43 -20.063 1.790 0.440 1.00 12.40 C ATOM 667 NE ARG A 43 -20.099 3.218 0.747 1.00 34.34 N ATOM 668 CZ ARG A 43 -20.291 4.162 -0.167 1.00 72.32 C ATOM 669 NH1 ARG A 43 -20.464 3.831 -1.440 1.00 3.44 N ATOM 670 NH2 ARG A 43 -20.311 5.439 0.190 1.00 13.44 N ATOM 0 H ARG A 43 -18.847 -0.477 -3.904 1.00 12.21 H new ATOM 0 HA ARG A 43 -17.076 1.060 -2.093 1.00 3.31 H new ATOM 0 HB2 ARG A 43 -19.826 0.708 -1.928 1.00 35.45 H new ATOM 0 HB3 ARG A 43 -19.222 -0.584 -0.910 1.00 35.45 H new ATOM 0 HG2 ARG A 43 -18.096 0.938 0.547 1.00 61.51 H new ATOM 0 HG3 ARG A 43 -18.240 2.264 -0.590 1.00 61.51 H new ATOM 0 HD2 ARG A 43 -20.888 1.542 -0.228 1.00 12.40 H new ATOM 0 HD3 ARG A 43 -20.211 1.218 1.356 1.00 12.40 H new ATOM 0 HE ARG A 43 -19.969 3.506 1.717 1.00 34.34 H new ATOM 0 HH11 ARG A 43 -20.450 2.850 -1.718 1.00 3.44 H new ATOM 0 HH12 ARG A 43 -20.611 4.558 -2.140 1.00 3.44 H new ATOM 0 HH21 ARG A 43 -20.179 5.697 1.168 1.00 13.44 H new ATOM 0 HH22 ARG A 43 -20.459 6.163 -0.513 1.00 13.44 H new ATOM 684 N LEU A 44 -15.791 -0.944 -1.457 1.00 70.43 N ATOM 685 CA LEU A 44 -14.983 -2.107 -1.108 1.00 22.53 C ATOM 686 C LEU A 44 -14.891 -2.272 0.406 1.00 41.30 C ATOM 687 O LEU A 44 -15.058 -1.310 1.157 1.00 64.24 O ATOM 688 CB LEU A 44 -13.580 -1.976 -1.704 1.00 32.30 C ATOM 689 CG LEU A 44 -12.794 -0.728 -1.301 1.00 62.24 C ATOM 690 CD1 LEU A 44 -11.303 -1.027 -1.259 1.00 33.22 C ATOM 691 CD2 LEU A 44 -13.083 0.417 -2.261 1.00 63.22 C ATOM 0 H LEU A 44 -15.328 -0.048 -1.306 1.00 70.43 H new ATOM 0 HA LEU A 44 -15.466 -2.992 -1.523 1.00 22.53 H new ATOM 0 HB2 LEU A 44 -13.001 -2.854 -1.417 1.00 32.30 H new ATOM 0 HB3 LEU A 44 -13.665 -1.992 -2.791 1.00 32.30 H new ATOM 0 HG LEU A 44 -13.112 -0.428 -0.303 1.00 62.24 H new ATOM 0 HD11 LEU A 44 -10.759 -0.127 -0.970 1.00 33.22 H new ATOM 0 HD12 LEU A 44 -11.110 -1.816 -0.532 1.00 33.22 H new ATOM 0 HD13 LEU A 44 -10.969 -1.352 -2.244 1.00 33.22 H new ATOM 0 HD21 LEU A 44 -12.515 1.297 -1.959 1.00 63.22 H new ATOM 0 HD22 LEU A 44 -12.793 0.127 -3.271 1.00 63.22 H new ATOM 0 HD23 LEU A 44 -14.148 0.648 -2.242 1.00 63.22 H new ATOM 703 N VAL A 45 -14.622 -3.496 0.848 1.00 34.21 N ATOM 704 CA VAL A 45 -14.505 -3.786 2.272 1.00 23.21 C ATOM 705 C VAL A 45 -13.081 -4.194 2.634 1.00 0.21 C ATOM 706 O VAL A 45 -12.501 -5.084 2.011 1.00 54.52 O ATOM 707 CB VAL A 45 -15.472 -4.906 2.699 1.00 61.44 C ATOM 708 CG1 VAL A 45 -15.153 -6.198 1.961 1.00 45.54 C ATOM 709 CG2 VAL A 45 -15.414 -5.115 4.204 1.00 11.04 C ATOM 0 H VAL A 45 -14.481 -4.303 0.240 1.00 34.21 H new ATOM 0 HA VAL A 45 -14.765 -2.870 2.804 1.00 23.21 H new ATOM 0 HB VAL A 45 -16.486 -4.606 2.435 1.00 61.44 H new ATOM 0 HG11 VAL A 45 -15.847 -6.978 2.276 1.00 45.54 H new ATOM 0 HG12 VAL A 45 -15.251 -6.037 0.887 1.00 45.54 H new ATOM 0 HG13 VAL A 45 -14.133 -6.506 2.190 1.00 45.54 H new ATOM 0 HG21 VAL A 45 -16.104 -5.910 4.488 1.00 11.04 H new ATOM 0 HG22 VAL A 45 -14.401 -5.393 4.494 1.00 11.04 H new ATOM 0 HG23 VAL A 45 -15.696 -4.192 4.711 1.00 11.04 H new ATOM 719 N TYR A 46 -12.523 -3.538 3.645 1.00 2.13 N ATOM 720 CA TYR A 46 -11.165 -3.831 4.090 1.00 54.52 C ATOM 721 C TYR A 46 -11.176 -4.552 5.434 1.00 61.21 C ATOM 722 O TYR A 46 -11.597 -3.994 6.446 1.00 2.35 O ATOM 723 CB TYR A 46 -10.352 -2.539 4.198 1.00 72.51 C ATOM 724 CG TYR A 46 -8.932 -2.674 3.696 1.00 32.54 C ATOM 725 CD1 TYR A 46 -8.121 -3.720 4.121 1.00 12.23 C ATOM 726 CD2 TYR A 46 -8.401 -1.757 2.799 1.00 51.41 C ATOM 727 CE1 TYR A 46 -6.823 -3.847 3.666 1.00 1.15 C ATOM 728 CE2 TYR A 46 -7.105 -1.877 2.338 1.00 45.34 C ATOM 729 CZ TYR A 46 -6.319 -2.923 2.774 1.00 34.24 C ATOM 730 OH TYR A 46 -5.027 -3.046 2.318 1.00 2.54 O ATOM 0 H TYR A 46 -12.990 -2.800 4.172 1.00 2.13 H new ATOM 0 HA TYR A 46 -10.700 -4.485 3.352 1.00 54.52 H new ATOM 0 HB2 TYR A 46 -10.855 -1.754 3.633 1.00 72.51 H new ATOM 0 HB3 TYR A 46 -10.331 -2.218 5.240 1.00 72.51 H new ATOM 0 HD1 TYR A 46 -8.512 -4.446 4.819 1.00 12.23 H new ATOM 0 HD2 TYR A 46 -9.012 -0.935 2.456 1.00 51.41 H new ATOM 0 HE1 TYR A 46 -6.206 -4.665 4.007 1.00 1.15 H new ATOM 0 HE2 TYR A 46 -6.709 -1.155 1.639 1.00 45.34 H new ATOM 0 HH TYR A 46 -4.407 -3.006 3.076 1.00 2.54 H new ATOM 740 N GLN A 47 -10.709 -5.797 5.434 1.00 42.53 N ATOM 741 CA GLN A 47 -10.664 -6.595 6.653 1.00 72.54 C ATOM 742 C GLN A 47 -12.045 -6.689 7.293 1.00 72.10 C ATOM 743 O GLN A 47 -12.172 -6.723 8.516 1.00 13.01 O ATOM 744 CB GLN A 47 -9.668 -5.994 7.646 1.00 53.14 C ATOM 745 CG GLN A 47 -8.769 -7.026 8.307 1.00 74.33 C ATOM 746 CD GLN A 47 -7.342 -6.541 8.465 1.00 63.54 C ATOM 747 OE1 GLN A 47 -6.421 -7.074 7.844 1.00 21.14 O ATOM 748 NE2 GLN A 47 -7.150 -5.525 9.298 1.00 70.52 N ATOM 0 H GLN A 47 -10.357 -6.274 4.604 1.00 42.53 H new ATOM 0 HA GLN A 47 -10.338 -7.600 6.387 1.00 72.54 H new ATOM 0 HB2 GLN A 47 -9.048 -5.263 7.128 1.00 53.14 H new ATOM 0 HB3 GLN A 47 -10.218 -5.456 8.418 1.00 53.14 H new ATOM 0 HG2 GLN A 47 -9.173 -7.280 9.287 1.00 74.33 H new ATOM 0 HG3 GLN A 47 -8.774 -7.940 7.714 1.00 74.33 H new ATOM 0 HE21 GLN A 47 -7.942 -5.114 9.792 1.00 70.52 H new ATOM 0 HE22 GLN A 47 -6.210 -5.156 9.444 1.00 70.52 H new ATOM 757 N GLY A 48 -13.078 -6.730 6.457 1.00 75.10 N ATOM 758 CA GLY A 48 -14.437 -6.819 6.960 1.00 3.22 C ATOM 759 C GLY A 48 -14.987 -5.472 7.385 1.00 42.30 C ATOM 760 O GLY A 48 -16.106 -5.381 7.891 1.00 44.42 O ATOM 0 H GLY A 48 -12.998 -6.703 5.440 1.00 75.10 H new ATOM 0 HA2 GLY A 48 -15.080 -7.243 6.189 1.00 3.22 H new ATOM 0 HA3 GLY A 48 -14.463 -7.503 7.808 1.00 3.22 H new ATOM 764 N LYS A 49 -14.199 -4.422 7.181 1.00 4.30 N ATOM 765 CA LYS A 49 -14.612 -3.072 7.546 1.00 3.14 C ATOM 766 C LYS A 49 -15.020 -2.275 6.312 1.00 40.14 C ATOM 767 O LYS A 49 -14.544 -2.537 5.208 1.00 63.43 O ATOM 768 CB LYS A 49 -13.479 -2.351 8.280 1.00 1.24 C ATOM 769 CG LYS A 49 -13.792 -2.050 9.736 1.00 25.51 C ATOM 770 CD LYS A 49 -12.861 -2.803 10.673 1.00 55.11 C ATOM 771 CE LYS A 49 -13.157 -4.295 10.672 1.00 44.05 C ATOM 772 NZ LYS A 49 -14.566 -4.582 11.058 1.00 23.01 N ATOM 0 H LYS A 49 -13.270 -4.480 6.764 1.00 4.30 H new ATOM 0 HA LYS A 49 -15.475 -3.150 8.208 1.00 3.14 H new ATOM 0 HB2 LYS A 49 -12.578 -2.962 8.230 1.00 1.24 H new ATOM 0 HB3 LYS A 49 -13.260 -1.417 7.764 1.00 1.24 H new ATOM 0 HG2 LYS A 49 -13.701 -0.979 9.915 1.00 25.51 H new ATOM 0 HG3 LYS A 49 -14.825 -2.323 9.951 1.00 25.51 H new ATOM 0 HD2 LYS A 49 -11.827 -2.636 10.372 1.00 55.11 H new ATOM 0 HD3 LYS A 49 -12.966 -2.411 11.685 1.00 55.11 H new ATOM 0 HE2 LYS A 49 -12.962 -4.703 9.680 1.00 44.05 H new ATOM 0 HE3 LYS A 49 -12.481 -4.800 11.363 1.00 44.05 H new ATOM 0 HZ1 LYS A 49 -14.645 -5.570 11.373 1.00 23.01 H new ATOM 0 HZ2 LYS A 49 -14.850 -3.948 11.832 1.00 23.01 H new ATOM 0 HZ3 LYS A 49 -15.188 -4.429 10.239 1.00 23.01 H new ATOM 786 N GLN A 50 -15.903 -1.301 6.507 1.00 42.41 N ATOM 787 CA GLN A 50 -16.373 -0.465 5.408 1.00 34.42 C ATOM 788 C GLN A 50 -15.825 0.953 5.529 1.00 34.30 C ATOM 789 O GLN A 50 -15.390 1.372 6.602 1.00 13.14 O ATOM 790 CB GLN A 50 -17.903 -0.434 5.383 1.00 44.52 C ATOM 791 CG GLN A 50 -18.542 -1.805 5.526 1.00 32.13 C ATOM 792 CD GLN A 50 -19.337 -1.947 6.810 1.00 64.34 C ATOM 793 OE1 GLN A 50 -20.432 -1.400 6.939 1.00 72.41 O ATOM 794 NE2 GLN A 50 -18.787 -2.685 7.768 1.00 53.24 N ATOM 0 H GLN A 50 -16.307 -1.071 7.415 1.00 42.41 H new ATOM 0 HA GLN A 50 -16.010 -0.896 4.475 1.00 34.42 H new ATOM 0 HB2 GLN A 50 -18.258 0.209 6.188 1.00 44.52 H new ATOM 0 HB3 GLN A 50 -18.234 0.016 4.447 1.00 44.52 H new ATOM 0 HG2 GLN A 50 -19.198 -1.986 4.675 1.00 32.13 H new ATOM 0 HG3 GLN A 50 -17.765 -2.569 5.498 1.00 32.13 H new ATOM 0 HE21 GLN A 50 -17.877 -3.120 7.617 1.00 53.24 H new ATOM 0 HE22 GLN A 50 -19.275 -2.817 8.654 1.00 53.24 H new ATOM 803 N LEU A 51 -15.849 1.687 4.422 1.00 21.22 N ATOM 804 CA LEU A 51 -15.354 3.059 4.404 1.00 61.04 C ATOM 805 C LEU A 51 -13.862 3.104 4.716 1.00 65.24 C ATOM 806 O LEU A 51 -13.456 2.990 5.872 1.00 73.12 O ATOM 807 CB LEU A 51 -16.123 3.913 5.413 1.00 54.35 C ATOM 808 CG LEU A 51 -17.623 3.637 5.520 1.00 34.35 C ATOM 809 CD1 LEU A 51 -18.232 4.434 6.664 1.00 72.43 C ATOM 810 CD2 LEU A 51 -18.322 3.964 4.209 1.00 62.34 C ATOM 0 H LEU A 51 -16.206 1.355 3.526 1.00 21.22 H new ATOM 0 HA LEU A 51 -15.510 3.462 3.403 1.00 61.04 H new ATOM 0 HB2 LEU A 51 -15.676 3.768 6.397 1.00 54.35 H new ATOM 0 HB3 LEU A 51 -15.985 4.962 5.151 1.00 54.35 H new ATOM 0 HG LEU A 51 -17.763 2.576 5.728 1.00 34.35 H new ATOM 0 HD11 LEU A 51 -19.300 4.225 6.725 1.00 72.43 H new ATOM 0 HD12 LEU A 51 -17.753 4.150 7.601 1.00 72.43 H new ATOM 0 HD13 LEU A 51 -18.080 5.499 6.487 1.00 72.43 H new ATOM 0 HD21 LEU A 51 -19.389 3.761 4.305 1.00 62.34 H new ATOM 0 HD22 LEU A 51 -18.173 5.017 3.970 1.00 62.34 H new ATOM 0 HD23 LEU A 51 -17.906 3.349 3.411 1.00 62.34 H new ATOM 822 N GLU A 52 -13.050 3.272 3.677 1.00 43.55 N ATOM 823 CA GLU A 52 -11.602 3.334 3.841 1.00 31.21 C ATOM 824 C GLU A 52 -11.047 4.644 3.291 1.00 50.43 C ATOM 825 O GLU A 52 -9.847 4.906 3.374 1.00 41.14 O ATOM 826 CB GLU A 52 -10.936 2.150 3.137 1.00 21.44 C ATOM 827 CG GLU A 52 -11.511 0.801 3.538 1.00 3.54 C ATOM 828 CD GLU A 52 -11.099 0.384 4.937 1.00 45.23 C ATOM 829 OE1 GLU A 52 -9.884 0.396 5.226 1.00 20.42 O ATOM 830 OE2 GLU A 52 -11.992 0.046 5.742 1.00 43.32 O ATOM 0 H GLU A 52 -13.370 3.368 2.713 1.00 43.55 H new ATOM 0 HA GLU A 52 -11.381 3.285 4.907 1.00 31.21 H new ATOM 0 HB2 GLU A 52 -11.040 2.274 2.059 1.00 21.44 H new ATOM 0 HB3 GLU A 52 -9.869 2.161 3.358 1.00 21.44 H new ATOM 0 HG2 GLU A 52 -12.599 0.842 3.481 1.00 3.54 H new ATOM 0 HG3 GLU A 52 -11.183 0.044 2.826 1.00 3.54 H new ATOM 837 N ASP A 53 -11.929 5.464 2.729 1.00 62.45 N ATOM 838 CA ASP A 53 -11.528 6.747 2.165 1.00 54.45 C ATOM 839 C ASP A 53 -10.768 7.579 3.193 1.00 41.24 C ATOM 840 O ASP A 53 -9.776 8.231 2.866 1.00 34.44 O ATOM 841 CB ASP A 53 -12.755 7.518 1.674 1.00 71.24 C ATOM 842 CG ASP A 53 -12.538 8.144 0.310 1.00 72.52 C ATOM 843 OD1 ASP A 53 -11.782 9.134 0.225 1.00 33.43 O ATOM 844 OD2 ASP A 53 -13.125 7.644 -0.673 1.00 31.41 O ATOM 0 H ASP A 53 -12.926 5.263 2.652 1.00 62.45 H new ATOM 0 HA ASP A 53 -10.867 6.554 1.320 1.00 54.45 H new ATOM 0 HB2 ASP A 53 -13.610 6.844 1.629 1.00 71.24 H new ATOM 0 HB3 ASP A 53 -13.002 8.299 2.394 1.00 71.24 H new ATOM 849 N GLU A 54 -11.241 7.552 4.435 1.00 42.32 N ATOM 850 CA GLU A 54 -10.606 8.306 5.510 1.00 63.24 C ATOM 851 C GLU A 54 -9.231 7.730 5.839 1.00 13.32 C ATOM 852 O GLU A 54 -8.379 8.414 6.407 1.00 20.40 O ATOM 853 CB GLU A 54 -11.488 8.296 6.760 1.00 60.03 C ATOM 854 CG GLU A 54 -11.816 9.684 7.284 1.00 72.11 C ATOM 855 CD GLU A 54 -12.751 9.651 8.477 1.00 32.33 C ATOM 856 OE1 GLU A 54 -12.832 8.594 9.138 1.00 61.33 O ATOM 857 OE2 GLU A 54 -13.402 10.681 8.751 1.00 70.44 O ATOM 0 H GLU A 54 -12.061 7.017 4.722 1.00 42.32 H new ATOM 0 HA GLU A 54 -10.479 9.335 5.173 1.00 63.24 H new ATOM 0 HB2 GLU A 54 -12.417 7.773 6.535 1.00 60.03 H new ATOM 0 HB3 GLU A 54 -10.986 7.730 7.544 1.00 60.03 H new ATOM 0 HG2 GLU A 54 -10.892 10.190 7.565 1.00 72.11 H new ATOM 0 HG3 GLU A 54 -12.271 10.271 6.486 1.00 72.11 H new ATOM 864 N LYS A 55 -9.023 6.468 5.479 1.00 12.32 N ATOM 865 CA LYS A 55 -7.753 5.799 5.735 1.00 74.32 C ATOM 866 C LYS A 55 -6.860 5.836 4.499 1.00 11.20 C ATOM 867 O LYS A 55 -6.172 4.864 4.190 1.00 62.55 O ATOM 868 CB LYS A 55 -7.995 4.348 6.159 1.00 5.32 C ATOM 869 CG LYS A 55 -8.350 4.195 7.628 1.00 53.41 C ATOM 870 CD LYS A 55 -9.805 4.547 7.889 1.00 74.23 C ATOM 871 CE LYS A 55 -10.451 3.566 8.856 1.00 41.14 C ATOM 872 NZ LYS A 55 -11.466 2.710 8.182 1.00 63.52 N ATOM 0 H LYS A 55 -9.718 5.888 5.009 1.00 12.32 H new ATOM 0 HA LYS A 55 -7.248 6.328 6.543 1.00 74.32 H new ATOM 0 HB2 LYS A 55 -8.800 3.931 5.554 1.00 5.32 H new ATOM 0 HB3 LYS A 55 -7.101 3.762 5.947 1.00 5.32 H new ATOM 0 HG2 LYS A 55 -8.160 3.169 7.944 1.00 53.41 H new ATOM 0 HG3 LYS A 55 -7.706 4.838 8.228 1.00 53.41 H new ATOM 0 HD2 LYS A 55 -9.869 5.556 8.296 1.00 74.23 H new ATOM 0 HD3 LYS A 55 -10.355 4.547 6.948 1.00 74.23 H new ATOM 0 HE2 LYS A 55 -9.682 2.935 9.301 1.00 41.14 H new ATOM 0 HE3 LYS A 55 -10.923 4.116 9.670 1.00 41.14 H new ATOM 0 HZ1 LYS A 55 -12.206 2.447 8.864 1.00 63.52 H new ATOM 0 HZ2 LYS A 55 -11.893 3.235 7.392 1.00 63.52 H new ATOM 0 HZ3 LYS A 55 -11.008 1.850 7.819 1.00 63.52 H new ATOM 886 N ARG A 56 -6.875 6.965 3.797 1.00 32.25 N ATOM 887 CA ARG A 56 -6.066 7.128 2.596 1.00 52.42 C ATOM 888 C ARG A 56 -4.624 6.700 2.849 1.00 23.11 C ATOM 889 O ARG A 56 -4.219 5.595 2.483 1.00 14.51 O ATOM 890 CB ARG A 56 -6.102 8.584 2.125 1.00 31.51 C ATOM 891 CG ARG A 56 -6.238 9.587 3.259 1.00 51.04 C ATOM 892 CD ARG A 56 -7.658 10.122 3.362 1.00 61.32 C ATOM 893 NE ARG A 56 -7.685 11.543 3.697 1.00 44.05 N ATOM 894 CZ ARG A 56 -7.446 12.016 4.915 1.00 63.23 C ATOM 895 NH1 ARG A 56 -7.164 11.185 5.908 1.00 25.44 N ATOM 896 NH2 ARG A 56 -7.488 13.323 5.141 1.00 75.43 N ATOM 0 H ARG A 56 -7.439 7.780 4.040 1.00 32.25 H new ATOM 0 HA ARG A 56 -6.484 6.490 1.817 1.00 52.42 H new ATOM 0 HB2 ARG A 56 -5.190 8.800 1.568 1.00 31.51 H new ATOM 0 HB3 ARG A 56 -6.936 8.713 1.435 1.00 31.51 H new ATOM 0 HG2 ARG A 56 -5.957 9.114 4.200 1.00 51.04 H new ATOM 0 HG3 ARG A 56 -5.547 10.415 3.099 1.00 51.04 H new ATOM 0 HD2 ARG A 56 -8.175 9.963 2.416 1.00 61.32 H new ATOM 0 HD3 ARG A 56 -8.203 9.560 4.121 1.00 61.32 H new ATOM 0 HE ARG A 56 -7.899 12.209 2.955 1.00 44.05 H new ATOM 0 HH11 ARG A 56 -7.130 10.180 5.738 1.00 25.44 H new ATOM 0 HH12 ARG A 56 -6.981 11.551 6.842 1.00 25.44 H new ATOM 0 HH21 ARG A 56 -7.704 13.966 4.379 1.00 75.43 H new ATOM 0 HH22 ARG A 56 -7.304 13.685 6.077 1.00 75.43 H new ATOM 910 N LEU A 57 -3.852 7.581 3.477 1.00 71.44 N ATOM 911 CA LEU A 57 -2.454 7.294 3.779 1.00 41.32 C ATOM 912 C LEU A 57 -2.334 6.110 4.733 1.00 74.04 C ATOM 913 O LEU A 57 -1.400 5.314 4.638 1.00 71.25 O ATOM 914 CB LEU A 57 -1.781 8.525 4.389 1.00 12.10 C ATOM 915 CG LEU A 57 -0.258 8.584 4.273 1.00 24.14 C ATOM 916 CD1 LEU A 57 0.239 10.005 4.487 1.00 5.13 C ATOM 917 CD2 LEU A 57 0.390 7.635 5.271 1.00 71.51 C ATOM 0 H LEU A 57 -4.171 8.499 3.787 1.00 71.44 H new ATOM 0 HA LEU A 57 -1.952 7.037 2.846 1.00 41.32 H new ATOM 0 HB2 LEU A 57 -2.196 9.414 3.914 1.00 12.10 H new ATOM 0 HB3 LEU A 57 -2.047 8.574 5.445 1.00 12.10 H new ATOM 0 HG LEU A 57 0.023 8.270 3.268 1.00 24.14 H new ATOM 0 HD11 LEU A 57 1.325 10.027 4.401 1.00 5.13 H new ATOM 0 HD12 LEU A 57 -0.198 10.661 3.734 1.00 5.13 H new ATOM 0 HD13 LEU A 57 -0.053 10.347 5.480 1.00 5.13 H new ATOM 0 HD21 LEU A 57 1.474 7.690 5.174 1.00 71.51 H new ATOM 0 HD22 LEU A 57 0.101 7.918 6.283 1.00 71.51 H new ATOM 0 HD23 LEU A 57 0.059 6.616 5.071 1.00 71.51 H new ATOM 929 N LYS A 58 -3.288 5.998 5.651 1.00 0.21 N ATOM 930 CA LYS A 58 -3.293 4.909 6.621 1.00 40.41 C ATOM 931 C LYS A 58 -3.314 3.555 5.919 1.00 53.42 C ATOM 932 O LYS A 58 -2.854 2.554 6.467 1.00 33.13 O ATOM 933 CB LYS A 58 -4.502 5.033 7.551 1.00 72.33 C ATOM 934 CG LYS A 58 -4.130 5.251 9.007 1.00 40.20 C ATOM 935 CD LYS A 58 -4.583 4.092 9.878 1.00 31.33 C ATOM 936 CE LYS A 58 -5.039 4.569 11.249 1.00 51.25 C ATOM 937 NZ LYS A 58 -5.414 3.433 12.135 1.00 10.24 N ATOM 0 H LYS A 58 -4.068 6.648 5.744 1.00 0.21 H new ATOM 0 HA LYS A 58 -2.380 4.977 7.212 1.00 40.41 H new ATOM 0 HB2 LYS A 58 -5.124 5.863 7.216 1.00 72.33 H new ATOM 0 HB3 LYS A 58 -5.106 4.129 7.470 1.00 72.33 H new ATOM 0 HG2 LYS A 58 -3.050 5.372 9.093 1.00 40.20 H new ATOM 0 HG3 LYS A 58 -4.584 6.175 9.365 1.00 40.20 H new ATOM 0 HD2 LYS A 58 -5.399 3.563 9.386 1.00 31.33 H new ATOM 0 HD3 LYS A 58 -3.765 3.380 9.993 1.00 31.33 H new ATOM 0 HE2 LYS A 58 -4.241 5.146 11.717 1.00 51.25 H new ATOM 0 HE3 LYS A 58 -5.892 5.238 11.136 1.00 51.25 H new ATOM 0 HZ1 LYS A 58 -5.719 3.800 13.059 1.00 10.24 H new ATOM 0 HZ2 LYS A 58 -6.192 2.897 11.701 1.00 10.24 H new ATOM 0 HZ3 LYS A 58 -4.593 2.808 12.264 1.00 10.24 H new ATOM 951 N ASP A 59 -3.849 3.533 4.703 1.00 14.01 N ATOM 952 CA ASP A 59 -3.928 2.302 3.925 1.00 40.21 C ATOM 953 C ASP A 59 -2.609 2.026 3.211 1.00 64.41 C ATOM 954 O ASP A 59 -2.360 0.910 2.754 1.00 75.42 O ATOM 955 CB ASP A 59 -5.065 2.390 2.906 1.00 71.32 C ATOM 956 CG ASP A 59 -6.359 1.799 3.430 1.00 70.41 C ATOM 957 OD1 ASP A 59 -6.626 1.935 4.643 1.00 65.54 O ATOM 958 OD2 ASP A 59 -7.106 1.201 2.627 1.00 24.23 O ATOM 0 H ASP A 59 -4.234 4.353 4.235 1.00 14.01 H new ATOM 0 HA ASP A 59 -4.129 1.479 4.611 1.00 40.21 H new ATOM 0 HB2 ASP A 59 -5.228 3.434 2.637 1.00 71.32 H new ATOM 0 HB3 ASP A 59 -4.773 1.868 1.995 1.00 71.32 H new ATOM 963 N TYR A 60 -1.767 3.049 3.118 1.00 65.32 N ATOM 964 CA TYR A 60 -0.474 2.917 2.456 1.00 21.13 C ATOM 965 C TYR A 60 0.514 2.157 3.336 1.00 34.34 C ATOM 966 O TYR A 60 1.490 1.591 2.846 1.00 60.24 O ATOM 967 CB TYR A 60 0.090 4.297 2.113 1.00 73.34 C ATOM 968 CG TYR A 60 1.444 4.248 1.441 1.00 34.22 C ATOM 969 CD1 TYR A 60 1.598 3.670 0.187 1.00 42.32 C ATOM 970 CD2 TYR A 60 2.568 4.778 2.061 1.00 23.33 C ATOM 971 CE1 TYR A 60 2.833 3.623 -0.430 1.00 63.43 C ATOM 972 CE2 TYR A 60 3.807 4.736 1.451 1.00 31.21 C ATOM 973 CZ TYR A 60 3.934 4.157 0.206 1.00 44.14 C ATOM 974 OH TYR A 60 5.167 4.112 -0.405 1.00 12.01 O ATOM 0 H TYR A 60 -1.956 3.979 3.492 1.00 65.32 H new ATOM 0 HA TYR A 60 -0.622 2.352 1.535 1.00 21.13 H new ATOM 0 HB2 TYR A 60 -0.612 4.815 1.460 1.00 73.34 H new ATOM 0 HB3 TYR A 60 0.168 4.886 3.027 1.00 73.34 H new ATOM 0 HD1 TYR A 60 0.738 3.251 -0.314 1.00 42.32 H new ATOM 0 HD2 TYR A 60 2.472 5.231 3.037 1.00 23.33 H new ATOM 0 HE1 TYR A 60 2.936 3.170 -1.405 1.00 63.43 H new ATOM 0 HE2 TYR A 60 4.671 5.154 1.946 1.00 31.21 H new ATOM 0 HH TYR A 60 5.298 3.230 -0.812 1.00 12.01 H new ATOM 984 N GLN A 61 0.250 2.149 4.639 1.00 23.51 N ATOM 985 CA GLN A 61 1.115 1.458 5.588 1.00 3.24 C ATOM 986 C GLN A 61 0.903 -0.051 5.521 1.00 13.40 C ATOM 987 O GLN A 61 1.618 -0.817 6.165 1.00 23.11 O ATOM 988 CB GLN A 61 0.851 1.959 7.009 1.00 1.43 C ATOM 989 CG GLN A 61 2.118 2.269 7.791 1.00 72.33 C ATOM 990 CD GLN A 61 1.839 3.002 9.088 1.00 31.51 C ATOM 991 OE1 GLN A 61 2.031 4.214 9.183 1.00 1.14 O ATOM 992 NE2 GLN A 61 1.383 2.268 10.097 1.00 73.25 N ATOM 0 H GLN A 61 -0.555 2.613 5.061 1.00 23.51 H new ATOM 0 HA GLN A 61 2.150 1.673 5.320 1.00 3.24 H new ATOM 0 HB2 GLN A 61 0.235 2.857 6.960 1.00 1.43 H new ATOM 0 HB3 GLN A 61 0.275 1.207 7.549 1.00 1.43 H new ATOM 0 HG2 GLN A 61 2.642 1.339 8.010 1.00 72.33 H new ATOM 0 HG3 GLN A 61 2.783 2.872 7.173 1.00 72.33 H new ATOM 0 HE21 GLN A 61 1.238 1.266 9.974 1.00 73.25 H new ATOM 0 HE22 GLN A 61 1.177 2.707 10.995 1.00 73.25 H new ATOM 1001 N MET A 62 -0.086 -0.469 4.738 1.00 64.55 N ATOM 1002 CA MET A 62 -0.391 -1.887 4.586 1.00 75.32 C ATOM 1003 C MET A 62 0.550 -2.542 3.580 1.00 52.24 C ATOM 1004 O MET A 62 1.388 -3.366 3.945 1.00 44.42 O ATOM 1005 CB MET A 62 -1.843 -2.073 4.139 1.00 0.15 C ATOM 1006 CG MET A 62 -2.831 -1.213 4.911 1.00 22.13 C ATOM 1007 SD MET A 62 -2.831 -1.571 6.678 1.00 25.35 S ATOM 1008 CE MET A 62 -4.206 -2.712 6.793 1.00 75.21 C ATOM 0 H MET A 62 -0.689 0.153 4.200 1.00 64.55 H new ATOM 0 HA MET A 62 -0.251 -2.368 5.554 1.00 75.32 H new ATOM 0 HB2 MET A 62 -1.921 -1.838 3.078 1.00 0.15 H new ATOM 0 HB3 MET A 62 -2.119 -3.121 4.254 1.00 0.15 H new ATOM 0 HG2 MET A 62 -2.589 -0.161 4.757 1.00 22.13 H new ATOM 0 HG3 MET A 62 -3.833 -1.371 4.512 1.00 22.13 H new ATOM 0 HE1 MET A 62 -4.333 -3.025 7.829 1.00 75.21 H new ATOM 0 HE2 MET A 62 -5.116 -2.221 6.448 1.00 75.21 H new ATOM 0 HE3 MET A 62 -4.007 -3.585 6.172 1.00 75.21 H new ATOM 1018 N SER A 63 0.405 -2.170 2.312 1.00 72.23 N ATOM 1019 CA SER A 63 1.240 -2.725 1.252 1.00 14.44 C ATOM 1020 C SER A 63 1.133 -4.246 1.217 1.00 74.14 C ATOM 1021 O SER A 63 2.040 -4.932 0.747 1.00 71.10 O ATOM 1022 CB SER A 63 2.698 -2.309 1.453 1.00 22.13 C ATOM 1023 OG SER A 63 2.792 -0.952 1.849 1.00 51.41 O ATOM 0 H SER A 63 -0.282 -1.487 1.994 1.00 72.23 H new ATOM 0 HA SER A 63 0.885 -2.332 0.299 1.00 14.44 H new ATOM 0 HB2 SER A 63 3.160 -2.944 2.209 1.00 22.13 H new ATOM 0 HB3 SER A 63 3.253 -2.460 0.527 1.00 22.13 H new ATOM 0 HG SER A 63 3.734 -0.712 1.972 1.00 51.41 H new ATOM 1029 N ALA A 64 0.017 -4.766 1.717 1.00 73.41 N ATOM 1030 CA ALA A 64 -0.211 -6.206 1.741 1.00 51.11 C ATOM 1031 C ALA A 64 -1.577 -6.536 2.334 1.00 4.22 C ATOM 1032 O ALA A 64 -1.709 -7.459 3.137 1.00 0.50 O ATOM 1033 CB ALA A 64 0.890 -6.901 2.527 1.00 22.44 C ATOM 0 H ALA A 64 -0.743 -4.212 2.111 1.00 73.41 H new ATOM 0 HA ALA A 64 -0.193 -6.569 0.713 1.00 51.11 H new ATOM 0 HB1 ALA A 64 0.707 -7.976 2.537 1.00 22.44 H new ATOM 0 HB2 ALA A 64 1.853 -6.701 2.058 1.00 22.44 H new ATOM 0 HB3 ALA A 64 0.899 -6.525 3.550 1.00 22.44 H new ATOM 1039 N GLY A 65 -2.591 -5.774 1.934 1.00 65.43 N ATOM 1040 CA GLY A 65 -3.933 -6.002 2.437 1.00 44.52 C ATOM 1041 C GLY A 65 -4.922 -6.310 1.331 1.00 51.44 C ATOM 1042 O GLY A 65 -5.103 -5.512 0.411 1.00 35.12 O ATOM 0 H GLY A 65 -2.507 -5.003 1.271 1.00 65.43 H new ATOM 0 HA2 GLY A 65 -3.916 -6.830 3.146 1.00 44.52 H new ATOM 0 HA3 GLY A 65 -4.267 -5.120 2.984 1.00 44.52 H new ATOM 1046 N ALA A 66 -5.563 -7.471 1.418 1.00 3.33 N ATOM 1047 CA ALA A 66 -6.539 -7.882 0.417 1.00 30.12 C ATOM 1048 C ALA A 66 -7.718 -6.917 0.371 1.00 15.44 C ATOM 1049 O ALA A 66 -8.247 -6.516 1.409 1.00 53.51 O ATOM 1050 CB ALA A 66 -7.023 -9.296 0.702 1.00 62.33 C ATOM 0 H ALA A 66 -5.424 -8.144 2.172 1.00 3.33 H new ATOM 0 HA ALA A 66 -6.052 -7.866 -0.558 1.00 30.12 H new ATOM 0 HB1 ALA A 66 -7.752 -9.590 -0.053 1.00 62.33 H new ATOM 0 HB2 ALA A 66 -6.177 -9.982 0.677 1.00 62.33 H new ATOM 0 HB3 ALA A 66 -7.488 -9.330 1.687 1.00 62.33 H new ATOM 1056 N THR A 67 -8.127 -6.545 -0.838 1.00 60.30 N ATOM 1057 CA THR A 67 -9.243 -5.625 -1.019 1.00 23.31 C ATOM 1058 C THR A 67 -10.327 -6.241 -1.896 1.00 64.21 C ATOM 1059 O THR A 67 -10.032 -6.917 -2.882 1.00 42.44 O ATOM 1060 CB THR A 67 -8.780 -4.298 -1.650 1.00 30.41 C ATOM 1061 OG1 THR A 67 -7.400 -4.387 -2.021 1.00 61.40 O ATOM 1062 CG2 THR A 67 -8.977 -3.141 -0.682 1.00 64.40 C ATOM 0 H THR A 67 -7.701 -6.867 -1.707 1.00 60.30 H new ATOM 0 HA THR A 67 -9.652 -5.425 -0.028 1.00 23.31 H new ATOM 0 HB THR A 67 -9.383 -4.114 -2.539 1.00 30.41 H new ATOM 0 HG1 THR A 67 -7.261 -5.183 -2.576 1.00 61.40 H new ATOM 0 HG21 THR A 67 -8.643 -2.215 -1.149 1.00 64.40 H new ATOM 0 HG22 THR A 67 -10.033 -3.058 -0.425 1.00 64.40 H new ATOM 0 HG23 THR A 67 -8.396 -3.321 0.223 1.00 64.40 H new ATOM 1070 N PHE A 68 -11.582 -6.004 -1.531 1.00 52.24 N ATOM 1071 CA PHE A 68 -12.711 -6.536 -2.286 1.00 11.12 C ATOM 1072 C PHE A 68 -13.722 -5.437 -2.599 1.00 52.04 C ATOM 1073 O PHE A 68 -14.358 -4.887 -1.699 1.00 64.12 O ATOM 1074 CB PHE A 68 -13.390 -7.661 -1.502 1.00 73.13 C ATOM 1075 CG PHE A 68 -14.709 -8.084 -2.083 1.00 72.41 C ATOM 1076 CD1 PHE A 68 -15.883 -7.455 -1.701 1.00 72.52 C ATOM 1077 CD2 PHE A 68 -14.775 -9.112 -3.010 1.00 40.25 C ATOM 1078 CE1 PHE A 68 -17.099 -7.842 -2.234 1.00 24.30 C ATOM 1079 CE2 PHE A 68 -15.987 -9.503 -3.547 1.00 13.41 C ATOM 1080 CZ PHE A 68 -17.151 -8.868 -3.157 1.00 64.03 C ATOM 0 H PHE A 68 -11.843 -5.447 -0.717 1.00 52.24 H new ATOM 0 HA PHE A 68 -12.332 -6.935 -3.227 1.00 11.12 H new ATOM 0 HB2 PHE A 68 -12.724 -8.523 -1.468 1.00 73.13 H new ATOM 0 HB3 PHE A 68 -13.543 -7.335 -0.473 1.00 73.13 H new ATOM 0 HD1 PHE A 68 -15.848 -6.653 -0.978 1.00 72.52 H new ATOM 0 HD2 PHE A 68 -13.869 -9.613 -3.316 1.00 40.25 H new ATOM 0 HE1 PHE A 68 -18.007 -7.343 -1.929 1.00 24.30 H new ATOM 0 HE2 PHE A 68 -16.024 -10.304 -4.271 1.00 13.41 H new ATOM 0 HZ PHE A 68 -18.100 -9.174 -3.573 1.00 64.03 H new ATOM 1090 N HIS A 69 -13.865 -5.122 -3.883 1.00 14.53 N ATOM 1091 CA HIS A 69 -14.799 -4.088 -4.316 1.00 70.24 C ATOM 1092 C HIS A 69 -16.176 -4.683 -4.595 1.00 14.55 C ATOM 1093 O HIS A 69 -16.291 -5.808 -5.078 1.00 21.40 O ATOM 1094 CB HIS A 69 -14.271 -3.387 -5.568 1.00 51.03 C ATOM 1095 CG HIS A 69 -13.088 -2.506 -5.308 1.00 31.24 C ATOM 1096 ND1 HIS A 69 -12.056 -2.862 -4.465 1.00 13.23 N ATOM 1097 CD2 HIS A 69 -12.776 -1.279 -5.786 1.00 25.04 C ATOM 1098 CE1 HIS A 69 -11.161 -1.891 -4.434 1.00 51.32 C ATOM 1099 NE2 HIS A 69 -11.574 -0.919 -5.228 1.00 4.34 N ATOM 0 H HIS A 69 -13.347 -5.567 -4.641 1.00 14.53 H new ATOM 0 HA HIS A 69 -14.894 -3.358 -3.512 1.00 70.24 H new ATOM 0 HB2 HIS A 69 -13.997 -4.140 -6.308 1.00 51.03 H new ATOM 0 HB3 HIS A 69 -15.071 -2.788 -6.004 1.00 51.03 H new ATOM 0 HD2 HIS A 69 -13.363 -0.692 -6.477 1.00 25.04 H new ATOM 0 HE1 HIS A 69 -10.247 -1.892 -3.858 1.00 51.32 H new ATOM 0 HE2 HIS A 69 -11.080 -0.043 -5.399 1.00 4.34 H new ATOM 1107 N MET A 70 -17.219 -3.918 -4.285 1.00 62.41 N ATOM 1108 CA MET A 70 -18.588 -4.370 -4.502 1.00 73.04 C ATOM 1109 C MET A 70 -19.383 -3.335 -5.291 1.00 54.34 C ATOM 1110 O MET A 70 -19.396 -2.153 -4.947 1.00 41.22 O ATOM 1111 CB MET A 70 -19.275 -4.646 -3.164 1.00 35.13 C ATOM 1112 CG MET A 70 -20.768 -4.907 -3.289 1.00 63.00 C ATOM 1113 SD MET A 70 -21.369 -6.099 -2.077 1.00 3.33 S ATOM 1114 CE MET A 70 -23.111 -6.152 -2.489 1.00 1.21 C ATOM 0 H MET A 70 -17.142 -2.984 -3.883 1.00 62.41 H new ATOM 0 HA MET A 70 -18.552 -5.293 -5.080 1.00 73.04 H new ATOM 0 HB2 MET A 70 -18.802 -5.508 -2.693 1.00 35.13 H new ATOM 0 HB3 MET A 70 -19.118 -3.795 -2.502 1.00 35.13 H new ATOM 0 HG2 MET A 70 -21.308 -3.968 -3.168 1.00 63.00 H new ATOM 0 HG3 MET A 70 -20.986 -5.273 -4.292 1.00 63.00 H new ATOM 0 HE1 MET A 70 -23.621 -6.849 -1.824 1.00 1.21 H new ATOM 0 HE2 MET A 70 -23.543 -5.158 -2.373 1.00 1.21 H new ATOM 0 HE3 MET A 70 -23.231 -6.482 -3.521 1.00 1.21 H new ATOM 1124 N VAL A 71 -20.046 -3.786 -6.352 1.00 31.13 N ATOM 1125 CA VAL A 71 -20.844 -2.899 -7.189 1.00 54.20 C ATOM 1126 C VAL A 71 -22.177 -3.542 -7.557 1.00 43.12 C ATOM 1127 O VAL A 71 -22.223 -4.503 -8.325 1.00 74.11 O ATOM 1128 CB VAL A 71 -20.095 -2.521 -8.481 1.00 21.15 C ATOM 1129 CG1 VAL A 71 -19.087 -1.415 -8.209 1.00 50.30 C ATOM 1130 CG2 VAL A 71 -19.411 -3.743 -9.076 1.00 2.53 C ATOM 0 H VAL A 71 -20.046 -4.761 -6.652 1.00 31.13 H new ATOM 0 HA VAL A 71 -21.028 -1.996 -6.607 1.00 54.20 H new ATOM 0 HB VAL A 71 -20.819 -2.149 -9.206 1.00 21.15 H new ATOM 0 HG11 VAL A 71 -18.567 -1.161 -9.133 1.00 50.30 H new ATOM 0 HG12 VAL A 71 -19.606 -0.534 -7.831 1.00 50.30 H new ATOM 0 HG13 VAL A 71 -18.364 -1.756 -7.468 1.00 50.30 H new ATOM 0 HG21 VAL A 71 -18.887 -3.458 -9.988 1.00 2.53 H new ATOM 0 HG22 VAL A 71 -18.697 -4.146 -8.358 1.00 2.53 H new ATOM 0 HG23 VAL A 71 -20.159 -4.501 -9.309 1.00 2.53 H new ATOM 1140 N VAL A 72 -23.260 -3.005 -7.005 1.00 3.35 N ATOM 1141 CA VAL A 72 -24.595 -3.525 -7.276 1.00 5.22 C ATOM 1142 C VAL A 72 -25.358 -2.610 -8.227 1.00 62.32 C ATOM 1143 O VAL A 72 -25.808 -1.532 -7.841 1.00 4.03 O ATOM 1144 CB VAL A 72 -25.407 -3.690 -5.978 1.00 20.03 C ATOM 1145 CG1 VAL A 72 -25.365 -2.411 -5.155 1.00 21.52 C ATOM 1146 CG2 VAL A 72 -26.842 -4.083 -6.294 1.00 70.12 C ATOM 0 H VAL A 72 -23.239 -2.209 -6.367 1.00 3.35 H new ATOM 0 HA VAL A 72 -24.466 -4.502 -7.742 1.00 5.22 H new ATOM 0 HB VAL A 72 -24.957 -4.488 -5.388 1.00 20.03 H new ATOM 0 HG11 VAL A 72 -25.944 -2.547 -4.242 1.00 21.52 H new ATOM 0 HG12 VAL A 72 -24.332 -2.177 -4.898 1.00 21.52 H new ATOM 0 HG13 VAL A 72 -25.789 -1.591 -5.735 1.00 21.52 H new ATOM 0 HG21 VAL A 72 -27.401 -4.195 -5.365 1.00 70.12 H new ATOM 0 HG22 VAL A 72 -27.305 -3.308 -6.905 1.00 70.12 H new ATOM 0 HG23 VAL A 72 -26.849 -5.027 -6.838 1.00 70.12 H new