USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 989 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 105 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 112 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 46 ASN : amide:sc= -1.01 K(o=-1,f=-1.8!) USER MOD Set 2.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLN : amide:sc= -0.0629 X(o=-0.063,f=0) USER MOD Single : A 1 GLN N :NH3+ -133:sc= -0.0214 (180deg=-0.309) USER MOD Single : A 2 SER OG : rot 180:sc= -0.454 USER MOD Single : A 4 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -1.22 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.134 K(o=-0.13,f=-2) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0192 K(o=-0.019,f=-0.66) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -177:sc= -0.0293 (180deg=-0.0531) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 CYS SG : rot -50:sc= -1.17 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -1.44 X(o=-1.4,f=-1) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.793 K(o=-0.79,f=-1.4) USER MOD Single : A 40 SER OG : rot -6:sc= 1.09 USER MOD Single : A 48 LYS NZ :NH3+ -132:sc= -0.0353 (180deg=-1.77) USER MOD Single : A 50 ASN : amide:sc= -1.96 K(o=-2,f=-4.6!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -1.45 X(o=-1.5,f=-1.6) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -30:sc= 0.887 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.174 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.041 K(o=-0.041,f=-0.88) USER MOD Single : A 81 GLN : amide:sc= -0.893 K(o=-0.89,f=-1.5) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 90 SER OG : rot -141:sc= 0.118 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -0.627 X(o=-0.63,f=-0.5) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 3.542 -0.989 -3.164 1.00 3.23 N ATOM 2 CA GLN A 1 2.593 -0.922 -4.268 1.00 41.24 C ATOM 3 C GLN A 1 1.235 -0.419 -3.790 1.00 21.34 C ATOM 4 O GLN A 1 0.231 -1.124 -3.891 1.00 14.42 O ATOM 5 CB GLN A 1 2.440 -2.297 -4.921 1.00 41.32 C ATOM 6 CG GLN A 1 3.727 -2.826 -5.533 1.00 22.44 C ATOM 7 CD GLN A 1 3.562 -4.209 -6.133 1.00 42.53 C ATOM 8 OE1 GLN A 1 4.301 -5.135 -5.800 1.00 24.21 O ATOM 9 NE2 GLN A 1 2.589 -4.355 -7.025 1.00 12.44 N ATOM 0 H1 GLN A 1 4.442 -0.555 -3.453 1.00 3.23 H new ATOM 0 H2 GLN A 1 3.158 -0.477 -2.344 1.00 3.23 H new ATOM 0 H3 GLN A 1 3.705 -1.983 -2.906 1.00 3.23 H new ATOM 0 HA GLN A 1 2.981 -0.219 -5.005 1.00 41.24 H new ATOM 0 HB2 GLN A 1 2.084 -3.007 -4.175 1.00 41.32 H new ATOM 0 HB3 GLN A 1 1.676 -2.239 -5.696 1.00 41.32 H new ATOM 0 HG2 GLN A 1 4.067 -2.137 -6.306 1.00 22.44 H new ATOM 0 HG3 GLN A 1 4.503 -2.856 -4.768 1.00 22.44 H new ATOM 0 HE21 GLN A 1 2.000 -3.560 -7.272 1.00 12.44 H new ATOM 0 HE22 GLN A 1 2.431 -5.262 -7.463 1.00 12.44 H new ATOM 18 N SER A 2 1.212 0.803 -3.267 1.00 63.14 N ATOM 19 CA SER A 2 -0.022 1.398 -2.769 1.00 1.32 C ATOM 20 C SER A 2 0.068 2.921 -2.777 1.00 12.33 C ATOM 21 O SER A 2 0.560 3.531 -1.826 1.00 73.02 O ATOM 22 CB SER A 2 -0.317 0.901 -1.352 1.00 71.25 C ATOM 23 OG SER A 2 -0.059 -0.488 -1.236 1.00 14.24 O ATOM 0 H SER A 2 2.034 1.400 -3.177 1.00 63.14 H new ATOM 0 HA SER A 2 -0.835 1.095 -3.429 1.00 1.32 H new ATOM 0 HB2 SER A 2 0.295 1.449 -0.636 1.00 71.25 H new ATOM 0 HB3 SER A 2 -1.358 1.103 -1.101 1.00 71.25 H new ATOM 0 HG SER A 2 -0.253 -0.782 -0.321 1.00 14.24 H new ATOM 29 N LEU A 3 -0.411 3.530 -3.856 1.00 61.01 N ATOM 30 CA LEU A 3 -0.386 4.982 -3.990 1.00 3.53 C ATOM 31 C LEU A 3 -1.475 5.460 -4.944 1.00 51.44 C ATOM 32 O LEU A 3 -1.971 4.694 -5.770 1.00 5.43 O ATOM 33 CB LEU A 3 0.984 5.445 -4.489 1.00 24.33 C ATOM 34 CG LEU A 3 1.469 4.818 -5.796 1.00 61.34 C ATOM 35 CD1 LEU A 3 2.332 5.801 -6.572 1.00 22.30 C ATOM 36 CD2 LEU A 3 2.237 3.534 -5.519 1.00 63.45 C ATOM 0 H LEU A 3 -0.822 3.040 -4.651 1.00 61.01 H new ATOM 0 HA LEU A 3 -0.573 5.415 -3.008 1.00 3.53 H new ATOM 0 HB2 LEU A 3 0.955 6.527 -4.617 1.00 24.33 H new ATOM 0 HB3 LEU A 3 1.721 5.236 -3.713 1.00 24.33 H new ATOM 0 HG LEU A 3 0.598 4.573 -6.404 1.00 61.34 H new ATOM 0 HD11 LEU A 3 2.668 5.337 -7.499 1.00 22.30 H new ATOM 0 HD12 LEU A 3 1.750 6.693 -6.803 1.00 22.30 H new ATOM 0 HD13 LEU A 3 3.198 6.079 -5.971 1.00 22.30 H new ATOM 0 HD21 LEU A 3 2.575 3.102 -6.461 1.00 63.45 H new ATOM 0 HD22 LEU A 3 3.100 3.755 -4.891 1.00 63.45 H new ATOM 0 HD23 LEU A 3 1.587 2.825 -5.006 1.00 63.45 H new ATOM 48 N ASN A 4 -1.842 6.733 -4.827 1.00 24.54 N ATOM 49 CA ASN A 4 -2.871 7.313 -5.681 1.00 13.55 C ATOM 50 C ASN A 4 -2.456 7.259 -7.148 1.00 2.14 C ATOM 51 O ASN A 4 -1.277 7.138 -7.481 1.00 3.15 O ATOM 52 CB ASN A 4 -3.146 8.762 -5.270 1.00 73.51 C ATOM 53 CG ASN A 4 -4.205 8.865 -4.189 1.00 23.00 C ATOM 54 OD1 ASN A 4 -5.371 8.541 -4.413 1.00 61.44 O ATOM 55 ND2 ASN A 4 -3.801 9.319 -3.008 1.00 55.10 N ATOM 0 H ASN A 4 -1.442 7.381 -4.149 1.00 24.54 H new ATOM 0 HA ASN A 4 -3.782 6.727 -5.559 1.00 13.55 H new ATOM 0 HB2 ASN A 4 -2.222 9.218 -4.914 1.00 73.51 H new ATOM 0 HB3 ASN A 4 -3.466 9.330 -6.143 1.00 73.51 H new ATOM 0 HD21 ASN A 4 -4.468 9.411 -2.242 1.00 55.10 H new ATOM 0 HD22 ASN A 4 -2.824 9.576 -2.867 1.00 55.10 H new ATOM 62 N PRO A 5 -3.447 7.351 -8.047 1.00 3.11 N ATOM 63 CA PRO A 5 -3.209 7.316 -9.493 1.00 10.00 C ATOM 64 C PRO A 5 -2.504 8.572 -9.995 1.00 74.43 C ATOM 65 O PRO A 5 -1.773 8.531 -10.984 1.00 73.33 O ATOM 66 CB PRO A 5 -4.619 7.222 -10.082 1.00 2.10 C ATOM 67 CG PRO A 5 -5.503 7.828 -9.047 1.00 62.02 C ATOM 68 CD PRO A 5 -4.875 7.497 -7.721 1.00 54.13 C ATOM 0 HA PRO A 5 -2.557 6.491 -9.779 1.00 10.00 H new ATOM 0 HB2 PRO A 5 -4.690 7.760 -11.027 1.00 2.10 H new ATOM 0 HB3 PRO A 5 -4.896 6.187 -10.283 1.00 2.10 H new ATOM 0 HG2 PRO A 5 -5.581 8.907 -9.183 1.00 62.02 H new ATOM 0 HG3 PRO A 5 -6.513 7.424 -9.112 1.00 62.02 H new ATOM 0 HD2 PRO A 5 -5.041 8.287 -6.989 1.00 54.13 H new ATOM 0 HD3 PRO A 5 -5.287 6.580 -7.299 1.00 54.13 H new ATOM 76 N ALA A 6 -2.729 9.686 -9.307 1.00 0.00 N ATOM 77 CA ALA A 6 -2.113 10.953 -9.682 1.00 73.23 C ATOM 78 C ALA A 6 -2.355 11.265 -11.155 1.00 45.32 C ATOM 79 O ALA A 6 -1.545 11.934 -11.799 1.00 61.23 O ATOM 80 CB ALA A 6 -0.622 10.923 -9.384 1.00 45.34 C ATOM 0 H ALA A 6 -3.333 9.737 -8.487 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.574 11.743 -9.090 1.00 73.23 H new ATOM 0 HB1 ALA A 6 -0.175 11.875 -9.669 1.00 45.34 H new ATOM 0 HB2 ALA A 6 -0.467 10.754 -8.318 1.00 45.34 H new ATOM 0 HB3 ALA A 6 -0.154 10.118 -9.951 1.00 45.34 H new ATOM 86 N LEU A 7 -3.472 10.778 -11.683 1.00 64.43 N ATOM 87 CA LEU A 7 -3.819 11.004 -13.082 1.00 13.52 C ATOM 88 C LEU A 7 -4.933 12.039 -13.205 1.00 52.20 C ATOM 89 O LEU A 7 -4.862 12.945 -14.035 1.00 73.34 O ATOM 90 CB LEU A 7 -4.251 9.693 -13.740 1.00 31.23 C ATOM 91 CG LEU A 7 -3.628 9.388 -15.102 1.00 41.35 C ATOM 92 CD1 LEU A 7 -2.796 8.117 -15.037 1.00 33.20 C ATOM 93 CD2 LEU A 7 -4.708 9.267 -16.168 1.00 2.32 C ATOM 0 H LEU A 7 -4.153 10.224 -11.164 1.00 64.43 H new ATOM 0 HA LEU A 7 -2.935 11.385 -13.593 1.00 13.52 H new ATOM 0 HB2 LEU A 7 -4.012 8.874 -13.062 1.00 31.23 H new ATOM 0 HB3 LEU A 7 -5.335 9.707 -13.854 1.00 31.23 H new ATOM 0 HG LEU A 7 -2.970 10.214 -15.372 1.00 41.35 H new ATOM 0 HD11 LEU A 7 -2.361 7.917 -16.016 1.00 33.20 H new ATOM 0 HD12 LEU A 7 -1.999 8.241 -14.304 1.00 33.20 H new ATOM 0 HD13 LEU A 7 -3.431 7.281 -14.744 1.00 33.20 H new ATOM 0 HD21 LEU A 7 -4.246 9.050 -17.131 1.00 2.32 H new ATOM 0 HD22 LEU A 7 -5.392 8.460 -15.903 1.00 2.32 H new ATOM 0 HD23 LEU A 7 -5.261 10.204 -16.234 1.00 2.32 H new ATOM 105 N GLN A 8 -5.959 11.899 -12.372 1.00 31.22 N ATOM 106 CA GLN A 8 -7.087 12.823 -12.387 1.00 70.31 C ATOM 107 C GLN A 8 -7.411 13.310 -10.979 1.00 23.14 C ATOM 108 O GLN A 8 -8.576 13.490 -10.627 1.00 51.32 O ATOM 109 CB GLN A 8 -8.316 12.151 -13.002 1.00 62.40 C ATOM 110 CG GLN A 8 -8.138 11.780 -14.466 1.00 12.34 C ATOM 111 CD GLN A 8 -9.422 11.914 -15.261 1.00 63.33 C ATOM 112 OE1 GLN A 8 -10.247 11.000 -15.288 1.00 43.13 O ATOM 113 NE2 GLN A 8 -9.597 13.056 -15.915 1.00 13.21 N ATOM 0 H GLN A 8 -6.032 11.155 -11.678 1.00 31.22 H new ATOM 0 HA GLN A 8 -6.810 13.684 -12.995 1.00 70.31 H new ATOM 0 HB2 GLN A 8 -8.550 11.251 -12.434 1.00 62.40 H new ATOM 0 HB3 GLN A 8 -9.171 12.820 -12.907 1.00 62.40 H new ATOM 0 HG2 GLN A 8 -7.373 12.418 -14.908 1.00 12.34 H new ATOM 0 HG3 GLN A 8 -7.777 10.754 -14.536 1.00 12.34 H new ATOM 0 HE21 GLN A 8 -8.887 13.787 -15.865 1.00 13.21 H new ATOM 0 HE22 GLN A 8 -10.441 13.203 -16.468 1.00 13.21 H new ATOM 122 N GLU A 9 -6.371 13.520 -10.177 1.00 13.41 N ATOM 123 CA GLU A 9 -6.547 13.986 -8.806 1.00 63.51 C ATOM 124 C GLU A 9 -6.357 15.497 -8.716 1.00 11.00 C ATOM 125 O GLU A 9 -5.900 16.018 -7.698 1.00 60.32 O ATOM 126 CB GLU A 9 -5.559 13.280 -7.874 1.00 40.24 C ATOM 127 CG GLU A 9 -4.110 13.664 -8.121 1.00 4.25 C ATOM 128 CD GLU A 9 -3.170 13.096 -7.075 1.00 22.10 C ATOM 129 OE1 GLU A 9 -3.367 11.930 -6.672 1.00 0.31 O ATOM 130 OE2 GLU A 9 -2.238 13.816 -6.660 1.00 31.13 O ATOM 0 H GLU A 9 -5.400 13.375 -10.453 1.00 13.41 H new ATOM 0 HA GLU A 9 -7.564 13.746 -8.495 1.00 63.51 H new ATOM 0 HB2 GLU A 9 -5.817 13.513 -6.841 1.00 40.24 H new ATOM 0 HB3 GLU A 9 -5.666 12.202 -7.994 1.00 40.24 H new ATOM 0 HG2 GLU A 9 -3.807 13.311 -9.107 1.00 4.25 H new ATOM 0 HG3 GLU A 9 -4.023 14.750 -8.131 1.00 4.25 H new ATOM 137 N LYS A 10 -6.711 16.197 -9.789 1.00 31.43 N ATOM 138 CA LYS A 10 -6.582 17.648 -9.833 1.00 4.31 C ATOM 139 C LYS A 10 -7.267 18.293 -8.632 1.00 73.44 C ATOM 140 O LYS A 10 -8.020 17.638 -7.911 1.00 74.20 O ATOM 141 CB LYS A 10 -7.181 18.195 -11.130 1.00 53.14 C ATOM 142 CG LYS A 10 -6.143 18.531 -12.187 1.00 25.54 C ATOM 143 CD LYS A 10 -6.386 17.759 -13.473 1.00 22.12 C ATOM 144 CE LYS A 10 -5.080 17.293 -14.099 1.00 12.40 C ATOM 145 NZ LYS A 10 -5.280 16.783 -15.484 1.00 0.43 N ATOM 0 H LYS A 10 -7.090 15.782 -10.640 1.00 31.43 H new ATOM 0 HA LYS A 10 -5.521 17.894 -9.798 1.00 4.31 H new ATOM 0 HB2 LYS A 10 -7.877 17.461 -11.537 1.00 53.14 H new ATOM 0 HB3 LYS A 10 -7.759 19.091 -10.903 1.00 53.14 H new ATOM 0 HG2 LYS A 10 -6.166 19.601 -12.394 1.00 25.54 H new ATOM 0 HG3 LYS A 10 -5.148 18.302 -11.807 1.00 25.54 H new ATOM 0 HD2 LYS A 10 -7.020 16.897 -13.267 1.00 22.12 H new ATOM 0 HD3 LYS A 10 -6.925 18.389 -14.180 1.00 22.12 H new ATOM 0 HE2 LYS A 10 -4.370 18.120 -14.115 1.00 12.40 H new ATOM 0 HE3 LYS A 10 -4.641 16.508 -13.483 1.00 12.40 H new ATOM 0 HZ1 LYS A 10 -4.367 16.475 -15.876 1.00 0.43 H new ATOM 0 HZ2 LYS A 10 -5.938 15.978 -15.466 1.00 0.43 H new ATOM 0 HZ3 LYS A 10 -5.675 17.539 -16.079 1.00 0.43 H new ATOM 159 N ILE A 11 -7.003 19.578 -8.425 1.00 50.25 N ATOM 160 CA ILE A 11 -7.597 20.310 -7.314 1.00 12.40 C ATOM 161 C ILE A 11 -7.698 21.799 -7.628 1.00 10.32 C ATOM 162 O ILE A 11 -6.794 22.380 -8.228 1.00 2.33 O ATOM 163 CB ILE A 11 -6.785 20.124 -6.019 1.00 10.12 C ATOM 164 CG1 ILE A 11 -7.456 20.863 -4.859 1.00 51.44 C ATOM 165 CG2 ILE A 11 -5.358 20.616 -6.213 1.00 34.32 C ATOM 166 CD1 ILE A 11 -6.905 22.253 -4.629 1.00 50.23 C ATOM 0 H ILE A 11 -6.381 20.134 -9.012 1.00 50.25 H new ATOM 0 HA ILE A 11 -8.598 19.903 -7.167 1.00 12.40 H new ATOM 0 HB ILE A 11 -6.753 19.062 -5.778 1.00 10.12 H new ATOM 0 HG12 ILE A 11 -8.526 20.933 -5.054 1.00 51.44 H new ATOM 0 HG13 ILE A 11 -7.335 20.278 -3.947 1.00 51.44 H new ATOM 0 HG21 ILE A 11 -4.797 20.478 -5.289 1.00 34.32 H new ATOM 0 HG22 ILE A 11 -4.883 20.049 -7.014 1.00 34.32 H new ATOM 0 HG23 ILE A 11 -5.370 21.674 -6.475 1.00 34.32 H new ATOM 0 HD11 ILE A 11 -7.427 22.717 -3.792 1.00 50.23 H new ATOM 0 HD12 ILE A 11 -5.841 22.190 -4.403 1.00 50.23 H new ATOM 0 HD13 ILE A 11 -7.050 22.855 -5.526 1.00 50.23 H new ATOM 178 N SER A 12 -8.804 22.412 -7.216 1.00 63.43 N ATOM 179 CA SER A 12 -9.024 23.833 -7.455 1.00 51.21 C ATOM 180 C SER A 12 -9.116 24.125 -8.950 1.00 0.13 C ATOM 181 O SER A 12 -8.131 24.009 -9.679 1.00 62.35 O ATOM 182 CB SER A 12 -7.896 24.658 -6.831 1.00 75.42 C ATOM 183 OG SER A 12 -8.175 26.045 -6.910 1.00 33.24 O ATOM 0 H SER A 12 -9.561 21.946 -6.715 1.00 63.43 H new ATOM 0 HA SER A 12 -9.969 24.112 -6.989 1.00 51.21 H new ATOM 0 HB2 SER A 12 -7.764 24.369 -5.788 1.00 75.42 H new ATOM 0 HB3 SER A 12 -6.958 24.443 -7.343 1.00 75.42 H new ATOM 0 HG SER A 12 -7.440 26.550 -6.503 1.00 33.24 H new ATOM 189 N THR A 13 -10.308 24.506 -9.400 1.00 23.41 N ATOM 190 CA THR A 13 -10.531 24.813 -10.807 1.00 5.41 C ATOM 191 C THR A 13 -10.420 26.312 -11.066 1.00 71.52 C ATOM 192 O THR A 13 -9.909 26.735 -12.102 1.00 60.23 O ATOM 193 CB THR A 13 -11.913 24.323 -11.277 1.00 40.11 C ATOM 194 OG1 THR A 13 -12.088 24.611 -12.669 1.00 25.01 O ATOM 195 CG2 THR A 13 -13.023 24.984 -10.474 1.00 74.22 C ATOM 0 H THR A 13 -11.134 24.609 -8.810 1.00 23.41 H new ATOM 0 HA THR A 13 -9.758 24.291 -11.371 1.00 5.41 H new ATOM 0 HB THR A 13 -11.965 23.246 -11.120 1.00 40.11 H new ATOM 0 HG1 THR A 13 -12.969 24.295 -12.960 1.00 25.01 H new ATOM 0 HG21 THR A 13 -13.990 24.622 -10.824 1.00 74.22 H new ATOM 0 HG22 THR A 13 -12.904 24.739 -9.419 1.00 74.22 H new ATOM 0 HG23 THR A 13 -12.971 26.065 -10.603 1.00 74.22 H new ATOM 203 N GLU A 14 -10.902 27.109 -10.118 1.00 32.22 N ATOM 204 CA GLU A 14 -10.857 28.561 -10.245 1.00 61.45 C ATOM 205 C GLU A 14 -10.408 29.208 -8.938 1.00 72.04 C ATOM 206 O GLU A 14 -10.433 30.431 -8.798 1.00 11.44 O ATOM 207 CB GLU A 14 -12.229 29.102 -10.651 1.00 13.32 C ATOM 208 CG GLU A 14 -12.680 28.647 -12.029 1.00 15.54 C ATOM 209 CD GLU A 14 -13.947 29.344 -12.487 1.00 42.12 C ATOM 210 OE1 GLU A 14 -13.861 30.517 -12.906 1.00 41.31 O ATOM 211 OE2 GLU A 14 -15.024 28.715 -12.427 1.00 52.13 O ATOM 0 H GLU A 14 -11.328 26.774 -9.254 1.00 32.22 H new ATOM 0 HA GLU A 14 -10.133 28.810 -11.020 1.00 61.45 H new ATOM 0 HB2 GLU A 14 -12.967 28.786 -9.914 1.00 13.32 H new ATOM 0 HB3 GLU A 14 -12.202 30.191 -10.628 1.00 13.32 H new ATOM 0 HG2 GLU A 14 -11.884 28.837 -12.749 1.00 15.54 H new ATOM 0 HG3 GLU A 14 -12.847 27.570 -12.016 1.00 15.54 H new ATOM 218 N LEU A 15 -9.999 28.379 -7.985 1.00 21.24 N ATOM 219 CA LEU A 15 -9.545 28.869 -6.688 1.00 22.02 C ATOM 220 C LEU A 15 -10.729 29.238 -5.800 1.00 41.52 C ATOM 221 O LEU A 15 -10.569 29.483 -4.605 1.00 61.32 O ATOM 222 CB LEU A 15 -8.631 30.082 -6.871 1.00 15.45 C ATOM 223 CG LEU A 15 -7.415 30.152 -5.947 1.00 12.25 C ATOM 224 CD1 LEU A 15 -6.179 29.614 -6.650 1.00 42.30 C ATOM 225 CD2 LEU A 15 -7.184 31.581 -5.476 1.00 32.21 C ATOM 0 H LEU A 15 -9.972 27.364 -8.085 1.00 21.24 H new ATOM 0 HA LEU A 15 -8.985 28.071 -6.201 1.00 22.02 H new ATOM 0 HB2 LEU A 15 -8.279 30.094 -7.903 1.00 15.45 H new ATOM 0 HB3 LEU A 15 -9.225 30.984 -6.726 1.00 15.45 H new ATOM 0 HG LEU A 15 -7.610 29.530 -5.073 1.00 12.25 H new ATOM 0 HD11 LEU A 15 -5.324 29.672 -5.977 1.00 42.30 H new ATOM 0 HD12 LEU A 15 -6.346 28.576 -6.936 1.00 42.30 H new ATOM 0 HD13 LEU A 15 -5.980 30.208 -7.542 1.00 42.30 H new ATOM 0 HD21 LEU A 15 -6.315 31.612 -4.819 1.00 32.21 H new ATOM 0 HD22 LEU A 15 -7.010 32.225 -6.338 1.00 32.21 H new ATOM 0 HD23 LEU A 15 -8.062 31.931 -4.933 1.00 32.21 H new ATOM 237 N ASN A 16 -11.918 29.275 -6.393 1.00 43.24 N ATOM 238 CA ASN A 16 -13.130 29.613 -5.656 1.00 3.21 C ATOM 239 C ASN A 16 -13.875 28.353 -5.227 1.00 62.32 C ATOM 240 O ASN A 16 -14.304 28.233 -4.081 1.00 14.33 O ATOM 241 CB ASN A 16 -14.043 30.493 -6.511 1.00 54.22 C ATOM 242 CG ASN A 16 -15.269 30.964 -5.752 1.00 60.21 C ATOM 243 OD1 ASN A 16 -16.369 30.447 -5.947 1.00 15.45 O ATOM 244 ND2 ASN A 16 -15.083 31.949 -4.881 1.00 52.25 N ATOM 0 H ASN A 16 -12.068 29.075 -7.382 1.00 43.24 H new ATOM 0 HA ASN A 16 -12.840 30.164 -4.761 1.00 3.21 H new ATOM 0 HB2 ASN A 16 -13.482 31.359 -6.863 1.00 54.22 H new ATOM 0 HB3 ASN A 16 -14.357 29.936 -7.394 1.00 54.22 H new ATOM 0 HD21 ASN A 16 -15.870 32.307 -4.341 1.00 52.25 H new ATOM 0 HD22 ASN A 16 -14.153 32.347 -4.752 1.00 52.25 H new ATOM 251 N ASN A 17 -14.023 27.415 -6.157 1.00 34.30 N ATOM 252 CA ASN A 17 -14.716 26.163 -5.876 1.00 35.34 C ATOM 253 C ASN A 17 -13.822 25.211 -5.086 1.00 54.51 C ATOM 254 O ASN A 17 -14.304 24.277 -4.445 1.00 2.22 O ATOM 255 CB ASN A 17 -15.162 25.498 -7.180 1.00 24.23 C ATOM 256 CG ASN A 17 -15.631 26.505 -8.211 1.00 55.23 C ATOM 257 OD1 ASN A 17 -14.858 26.946 -9.062 1.00 33.11 O ATOM 258 ND2 ASN A 17 -16.905 26.875 -8.140 1.00 30.41 N ATOM 0 H ASN A 17 -13.672 27.498 -7.111 1.00 34.30 H new ATOM 0 HA ASN A 17 -15.595 26.391 -5.274 1.00 35.34 H new ATOM 0 HB2 ASN A 17 -14.335 24.920 -7.591 1.00 24.23 H new ATOM 0 HB3 ASN A 17 -15.968 24.796 -6.969 1.00 24.23 H new ATOM 0 HD21 ASN A 17 -17.278 27.550 -8.807 1.00 30.41 H new ATOM 0 HD22 ASN A 17 -17.510 26.484 -7.418 1.00 30.41 H new ATOM 265 N LYS A 18 -12.517 25.456 -5.137 1.00 33.11 N ATOM 266 CA LYS A 18 -11.554 24.624 -4.426 1.00 33.43 C ATOM 267 C LYS A 18 -11.937 24.483 -2.956 1.00 75.20 C ATOM 268 O LYS A 18 -11.683 23.451 -2.336 1.00 33.22 O ATOM 269 CB LYS A 18 -10.150 25.220 -4.543 1.00 24.34 C ATOM 270 CG LYS A 18 -9.929 26.435 -3.658 1.00 70.24 C ATOM 271 CD LYS A 18 -9.343 26.045 -2.311 1.00 54.44 C ATOM 272 CE LYS A 18 -9.815 26.979 -1.208 1.00 12.35 C ATOM 273 NZ LYS A 18 -8.780 27.991 -0.857 1.00 31.23 N ATOM 0 H LYS A 18 -12.102 26.225 -5.664 1.00 33.11 H new ATOM 0 HA LYS A 18 -11.561 23.634 -4.882 1.00 33.43 H new ATOM 0 HB2 LYS A 18 -9.417 24.455 -4.285 1.00 24.34 H new ATOM 0 HB3 LYS A 18 -9.968 25.499 -5.581 1.00 24.34 H new ATOM 0 HG2 LYS A 18 -9.259 27.134 -4.159 1.00 70.24 H new ATOM 0 HG3 LYS A 18 -10.876 26.954 -3.507 1.00 70.24 H new ATOM 0 HD2 LYS A 18 -9.630 25.021 -2.070 1.00 54.44 H new ATOM 0 HD3 LYS A 18 -8.255 26.066 -2.366 1.00 54.44 H new ATOM 0 HE2 LYS A 18 -10.726 27.486 -1.527 1.00 12.35 H new ATOM 0 HE3 LYS A 18 -10.068 26.396 -0.322 1.00 12.35 H new ATOM 0 HZ1 LYS A 18 -9.140 28.608 -0.102 1.00 31.23 H new ATOM 0 HZ2 LYS A 18 -7.920 27.508 -0.529 1.00 31.23 H new ATOM 0 HZ3 LYS A 18 -8.557 28.564 -1.695 1.00 31.23 H new ATOM 287 N GLN A 19 -12.551 25.526 -2.407 1.00 1.05 N ATOM 288 CA GLN A 19 -12.970 25.517 -1.010 1.00 25.22 C ATOM 289 C GLN A 19 -14.120 24.540 -0.793 1.00 33.22 C ATOM 290 O GLN A 19 -14.116 23.762 0.162 1.00 52.50 O ATOM 291 CB GLN A 19 -13.388 26.921 -0.572 1.00 2.45 C ATOM 292 CG GLN A 19 -12.947 27.275 0.840 1.00 71.13 C ATOM 293 CD GLN A 19 -12.604 28.743 0.993 1.00 10.54 C ATOM 294 OE1 GLN A 19 -13.071 29.586 0.226 1.00 64.54 O ATOM 295 NE2 GLN A 19 -11.784 29.059 1.989 1.00 14.23 N ATOM 0 H GLN A 19 -12.769 26.387 -2.908 1.00 1.05 H new ATOM 0 HA GLN A 19 -12.123 25.193 -0.405 1.00 25.22 H new ATOM 0 HB2 GLN A 19 -12.970 27.649 -1.267 1.00 2.45 H new ATOM 0 HB3 GLN A 19 -14.473 27.005 -0.637 1.00 2.45 H new ATOM 0 HG2 GLN A 19 -13.741 27.016 1.540 1.00 71.13 H new ATOM 0 HG3 GLN A 19 -12.078 26.673 1.107 1.00 71.13 H new ATOM 0 HE21 GLN A 19 -11.420 28.329 2.601 1.00 14.23 H new ATOM 0 HE22 GLN A 19 -11.518 30.032 2.142 1.00 14.23 H new ATOM 304 N TYR A 20 -15.104 24.585 -1.684 1.00 51.12 N ATOM 305 CA TYR A 20 -16.263 23.706 -1.589 1.00 32.34 C ATOM 306 C TYR A 20 -15.879 22.262 -1.900 1.00 12.41 C ATOM 307 O TYR A 20 -16.259 21.339 -1.181 1.00 13.23 O ATOM 308 CB TYR A 20 -17.363 24.170 -2.545 1.00 45.53 C ATOM 309 CG TYR A 20 -18.484 24.919 -1.861 1.00 73.50 C ATOM 310 CD1 TYR A 20 -19.387 24.256 -1.039 1.00 13.44 C ATOM 311 CD2 TYR A 20 -18.640 26.288 -2.036 1.00 54.14 C ATOM 312 CE1 TYR A 20 -20.414 24.936 -0.412 1.00 70.12 C ATOM 313 CE2 TYR A 20 -19.663 26.976 -1.413 1.00 14.02 C ATOM 314 CZ TYR A 20 -20.548 26.295 -0.602 1.00 42.52 C ATOM 315 OH TYR A 20 -21.568 26.976 0.021 1.00 14.22 O ATOM 0 H TYR A 20 -15.122 25.221 -2.481 1.00 51.12 H new ATOM 0 HA TYR A 20 -16.638 23.751 -0.566 1.00 32.34 H new ATOM 0 HB2 TYR A 20 -16.922 24.811 -3.309 1.00 45.53 H new ATOM 0 HB3 TYR A 20 -17.777 23.302 -3.058 1.00 45.53 H new ATOM 0 HD1 TYR A 20 -19.285 23.192 -0.888 1.00 13.44 H new ATOM 0 HD2 TYR A 20 -17.949 26.824 -2.670 1.00 54.14 H new ATOM 0 HE1 TYR A 20 -21.108 24.406 0.223 1.00 70.12 H new ATOM 0 HE2 TYR A 20 -19.770 28.041 -1.560 1.00 14.02 H new ATOM 0 HH TYR A 20 -21.520 27.926 -0.217 1.00 14.22 H new ATOM 325 N GLU A 21 -15.122 22.077 -2.977 1.00 55.41 N ATOM 326 CA GLU A 21 -14.687 20.747 -3.384 1.00 63.24 C ATOM 327 C GLU A 21 -13.817 20.106 -2.307 1.00 31.42 C ATOM 328 O GLU A 21 -14.008 18.942 -1.950 1.00 2.22 O ATOM 329 CB GLU A 21 -13.913 20.820 -4.703 1.00 12.45 C ATOM 330 CG GLU A 21 -14.805 20.811 -5.933 1.00 2.22 C ATOM 331 CD GLU A 21 -15.154 22.207 -6.410 1.00 52.35 C ATOM 332 OE1 GLU A 21 -16.030 22.845 -5.788 1.00 64.22 O ATOM 333 OE2 GLU A 21 -14.553 22.662 -7.406 1.00 12.21 O ATOM 0 H GLU A 21 -14.798 22.831 -3.583 1.00 55.41 H new ATOM 0 HA GLU A 21 -15.575 20.130 -3.525 1.00 63.24 H new ATOM 0 HB2 GLU A 21 -13.308 21.727 -4.710 1.00 12.45 H new ATOM 0 HB3 GLU A 21 -13.224 19.977 -4.758 1.00 12.45 H new ATOM 0 HG2 GLU A 21 -14.304 20.271 -6.737 1.00 2.22 H new ATOM 0 HG3 GLU A 21 -15.723 20.268 -5.708 1.00 2.22 H new ATOM 340 N LEU A 22 -12.861 20.872 -1.793 1.00 35.12 N ATOM 341 CA LEU A 22 -11.961 20.380 -0.756 1.00 21.21 C ATOM 342 C LEU A 22 -12.709 20.158 0.555 1.00 50.12 C ATOM 343 O LEU A 22 -12.380 19.255 1.324 1.00 11.25 O ATOM 344 CB LEU A 22 -10.812 21.367 -0.540 1.00 72.41 C ATOM 345 CG LEU A 22 -9.703 20.908 0.407 1.00 45.22 C ATOM 346 CD1 LEU A 22 -8.351 21.421 -0.067 1.00 33.34 C ATOM 347 CD2 LEU A 22 -9.985 21.377 1.827 1.00 54.34 C ATOM 0 H LEU A 22 -12.689 21.836 -2.078 1.00 35.12 H new ATOM 0 HA LEU A 22 -11.554 19.424 -1.087 1.00 21.21 H new ATOM 0 HB2 LEU A 22 -10.365 21.592 -1.509 1.00 72.41 H new ATOM 0 HB3 LEU A 22 -11.227 22.299 -0.157 1.00 72.41 H new ATOM 0 HG LEU A 22 -9.677 19.818 0.404 1.00 45.22 H new ATOM 0 HD11 LEU A 22 -7.573 21.085 0.619 1.00 33.34 H new ATOM 0 HD12 LEU A 22 -8.145 21.036 -1.066 1.00 33.34 H new ATOM 0 HD13 LEU A 22 -8.364 22.511 -0.094 1.00 33.34 H new ATOM 0 HD21 LEU A 22 -9.185 21.041 2.487 1.00 54.34 H new ATOM 0 HD22 LEU A 22 -10.039 22.466 1.847 1.00 54.34 H new ATOM 0 HD23 LEU A 22 -10.934 20.961 2.166 1.00 54.34 H new ATOM 359 N PHE A 23 -13.718 20.987 0.801 1.00 33.34 N ATOM 360 CA PHE A 23 -14.515 20.881 2.018 1.00 24.44 C ATOM 361 C PHE A 23 -15.148 19.497 2.135 1.00 53.41 C ATOM 362 O PHE A 23 -15.037 18.837 3.168 1.00 53.34 O ATOM 363 CB PHE A 23 -15.603 21.956 2.036 1.00 31.24 C ATOM 364 CG PHE A 23 -15.316 23.084 2.985 1.00 4.04 C ATOM 365 CD1 PHE A 23 -14.050 23.645 3.053 1.00 74.22 C ATOM 366 CD2 PHE A 23 -16.311 23.583 3.810 1.00 5.44 C ATOM 367 CE1 PHE A 23 -13.783 24.683 3.925 1.00 44.43 C ATOM 368 CE2 PHE A 23 -16.049 24.622 4.684 1.00 63.02 C ATOM 369 CZ PHE A 23 -14.783 25.172 4.742 1.00 60.20 C ATOM 0 H PHE A 23 -14.003 21.739 0.174 1.00 33.34 H new ATOM 0 HA PHE A 23 -13.853 21.031 2.871 1.00 24.44 H new ATOM 0 HB2 PHE A 23 -15.721 22.359 1.030 1.00 31.24 H new ATOM 0 HB3 PHE A 23 -16.553 21.496 2.308 1.00 31.24 H new ATOM 0 HD1 PHE A 23 -13.263 23.266 2.417 1.00 74.22 H new ATOM 0 HD2 PHE A 23 -17.302 23.156 3.770 1.00 5.44 H new ATOM 0 HE1 PHE A 23 -12.793 25.112 3.968 1.00 44.43 H new ATOM 0 HE2 PHE A 23 -16.834 25.003 5.321 1.00 63.02 H new ATOM 0 HZ PHE A 23 -14.576 25.983 5.425 1.00 60.20 H new ATOM 379 N MET A 24 -15.813 19.066 1.068 1.00 13.12 N ATOM 380 CA MET A 24 -16.465 17.761 1.050 1.00 5.41 C ATOM 381 C MET A 24 -15.437 16.643 0.912 1.00 61.32 C ATOM 382 O MET A 24 -15.591 15.569 1.494 1.00 65.20 O ATOM 383 CB MET A 24 -17.474 17.687 -0.097 1.00 41.21 C ATOM 384 CG MET A 24 -18.880 17.325 0.353 1.00 11.50 C ATOM 385 SD MET A 24 -19.159 15.545 0.397 1.00 24.41 S ATOM 386 CE MET A 24 -20.944 15.478 0.271 1.00 31.04 C ATOM 0 H MET A 24 -15.915 19.601 0.205 1.00 13.12 H new ATOM 0 HA MET A 24 -16.992 17.632 1.996 1.00 5.41 H new ATOM 0 HB2 MET A 24 -17.501 18.649 -0.608 1.00 41.21 H new ATOM 0 HB3 MET A 24 -17.133 16.949 -0.823 1.00 41.21 H new ATOM 0 HG2 MET A 24 -19.058 17.741 1.344 1.00 11.50 H new ATOM 0 HG3 MET A 24 -19.603 17.785 -0.321 1.00 11.50 H new ATOM 0 HE1 MET A 24 -21.275 14.442 0.339 1.00 31.04 H new ATOM 0 HE2 MET A 24 -21.388 16.054 1.083 1.00 31.04 H new ATOM 0 HE3 MET A 24 -21.257 15.897 -0.685 1.00 31.04 H new ATOM 396 N LYS A 25 -14.389 16.901 0.137 1.00 24.22 N ATOM 397 CA LYS A 25 -13.334 15.917 -0.077 1.00 74.44 C ATOM 398 C LYS A 25 -12.656 15.551 1.239 1.00 63.44 C ATOM 399 O LYS A 25 -12.488 14.373 1.555 1.00 64.23 O ATOM 400 CB LYS A 25 -12.298 16.457 -1.065 1.00 62.53 C ATOM 401 CG LYS A 25 -11.194 15.465 -1.391 1.00 2.42 C ATOM 402 CD LYS A 25 -10.280 15.988 -2.487 1.00 14.12 C ATOM 403 CE LYS A 25 -9.362 17.085 -1.971 1.00 11.32 C ATOM 404 NZ LYS A 25 -9.358 18.273 -2.869 1.00 44.01 N ATOM 0 H LYS A 25 -14.247 17.784 -0.354 1.00 24.22 H new ATOM 0 HA LYS A 25 -13.789 15.018 -0.493 1.00 74.44 H new ATOM 0 HB2 LYS A 25 -12.803 16.743 -1.988 1.00 62.53 H new ATOM 0 HB3 LYS A 25 -11.852 17.362 -0.652 1.00 62.53 H new ATOM 0 HG2 LYS A 25 -10.609 15.263 -0.494 1.00 2.42 H new ATOM 0 HG3 LYS A 25 -11.635 14.519 -1.704 1.00 2.42 H new ATOM 0 HD2 LYS A 25 -9.681 15.169 -2.885 1.00 14.12 H new ATOM 0 HD3 LYS A 25 -10.881 16.373 -3.311 1.00 14.12 H new ATOM 0 HE2 LYS A 25 -9.681 17.385 -0.973 1.00 11.32 H new ATOM 0 HE3 LYS A 25 -8.348 16.696 -1.878 1.00 11.32 H new ATOM 0 HZ1 LYS A 25 -8.720 18.998 -2.483 1.00 44.01 H new ATOM 0 HZ2 LYS A 25 -9.030 17.992 -3.815 1.00 44.01 H new ATOM 0 HZ3 LYS A 25 -10.321 18.660 -2.937 1.00 44.01 H new ATOM 418 N SER A 26 -12.269 16.567 2.003 1.00 41.24 N ATOM 419 CA SER A 26 -11.606 16.352 3.284 1.00 74.14 C ATOM 420 C SER A 26 -12.528 15.622 4.256 1.00 70.21 C ATOM 421 O SER A 26 -12.079 14.806 5.062 1.00 4.44 O ATOM 422 CB SER A 26 -11.167 17.688 3.885 1.00 21.05 C ATOM 423 OG SER A 26 -11.019 17.590 5.291 1.00 13.14 O ATOM 0 H SER A 26 -12.403 17.548 1.757 1.00 41.24 H new ATOM 0 HA SER A 26 -10.726 15.733 3.111 1.00 74.14 H new ATOM 0 HB2 SER A 26 -10.223 17.999 3.438 1.00 21.05 H new ATOM 0 HB3 SER A 26 -11.902 18.457 3.646 1.00 21.05 H new ATOM 0 HG SER A 26 -10.736 18.456 5.651 1.00 13.14 H new ATOM 429 N LEU A 27 -13.820 15.920 4.174 1.00 42.52 N ATOM 430 CA LEU A 27 -14.807 15.293 5.046 1.00 50.42 C ATOM 431 C LEU A 27 -15.023 13.833 4.662 1.00 23.15 C ATOM 432 O LEU A 27 -15.004 12.947 5.518 1.00 52.31 O ATOM 433 CB LEU A 27 -16.133 16.052 4.976 1.00 54.22 C ATOM 434 CG LEU A 27 -16.374 17.086 6.077 1.00 73.15 C ATOM 435 CD1 LEU A 27 -16.317 16.429 7.447 1.00 2.41 C ATOM 436 CD2 LEU A 27 -15.358 18.214 5.980 1.00 25.04 C ATOM 0 H LEU A 27 -14.209 16.592 3.512 1.00 42.52 H new ATOM 0 HA LEU A 27 -14.428 15.329 6.067 1.00 50.42 H new ATOM 0 HB2 LEU A 27 -16.189 16.558 4.012 1.00 54.22 H new ATOM 0 HB3 LEU A 27 -16.946 15.326 5.003 1.00 54.22 H new ATOM 0 HG LEU A 27 -17.369 17.509 5.942 1.00 73.15 H new ATOM 0 HD11 LEU A 27 -16.491 17.180 8.218 1.00 2.41 H new ATOM 0 HD12 LEU A 27 -17.084 15.657 7.513 1.00 2.41 H new ATOM 0 HD13 LEU A 27 -15.335 15.978 7.594 1.00 2.41 H new ATOM 0 HD21 LEU A 27 -15.544 18.941 6.771 1.00 25.04 H new ATOM 0 HD22 LEU A 27 -14.352 17.808 6.090 1.00 25.04 H new ATOM 0 HD23 LEU A 27 -15.448 18.703 5.010 1.00 25.04 H new ATOM 448 N ILE A 28 -15.225 13.589 3.372 1.00 2.01 N ATOM 449 CA ILE A 28 -15.440 12.236 2.876 1.00 73.44 C ATOM 450 C ILE A 28 -14.220 11.357 3.127 1.00 22.13 C ATOM 451 O ILE A 28 -14.340 10.242 3.634 1.00 61.01 O ATOM 452 CB ILE A 28 -15.759 12.233 1.369 1.00 62.23 C ATOM 453 CG1 ILE A 28 -17.094 12.932 1.106 1.00 12.13 C ATOM 454 CG2 ILE A 28 -15.787 10.808 0.836 1.00 11.10 C ATOM 455 CD1 ILE A 28 -18.293 12.149 1.594 1.00 23.41 C ATOM 0 H ILE A 28 -15.244 14.311 2.651 1.00 2.01 H new ATOM 0 HA ILE A 28 -16.293 11.833 3.421 1.00 73.44 H new ATOM 0 HB ILE A 28 -14.975 12.780 0.846 1.00 62.23 H new ATOM 0 HG12 ILE A 28 -17.086 13.908 1.591 1.00 12.13 H new ATOM 0 HG13 ILE A 28 -17.197 13.109 0.035 1.00 12.13 H new ATOM 0 HG21 ILE A 28 -16.014 10.823 -0.230 1.00 11.10 H new ATOM 0 HG22 ILE A 28 -14.815 10.341 0.994 1.00 11.10 H new ATOM 0 HG23 ILE A 28 -16.553 10.238 1.362 1.00 11.10 H new ATOM 0 HD11 ILE A 28 -19.205 12.705 1.374 1.00 23.41 H new ATOM 0 HD12 ILE A 28 -18.326 11.183 1.090 1.00 23.41 H new ATOM 0 HD13 ILE A 28 -18.213 11.994 2.670 1.00 23.41 H new ATOM 467 N GLU A 29 -13.045 11.868 2.771 1.00 14.34 N ATOM 468 CA GLU A 29 -11.803 11.130 2.960 1.00 25.51 C ATOM 469 C GLU A 29 -11.525 10.901 4.443 1.00 11.12 C ATOM 470 O GLU A 29 -10.969 9.874 4.830 1.00 10.44 O ATOM 471 CB GLU A 29 -10.634 11.883 2.321 1.00 24.45 C ATOM 472 CG GLU A 29 -10.302 13.193 3.016 1.00 62.24 C ATOM 473 CD GLU A 29 -9.410 13.002 4.227 1.00 61.30 C ATOM 474 OE1 GLU A 29 -8.676 11.992 4.271 1.00 13.20 O ATOM 475 OE2 GLU A 29 -9.446 13.863 5.131 1.00 22.41 O ATOM 0 H GLU A 29 -12.928 12.790 2.350 1.00 14.34 H new ATOM 0 HA GLU A 29 -11.910 10.160 2.475 1.00 25.51 H new ATOM 0 HB2 GLU A 29 -9.752 11.243 2.330 1.00 24.45 H new ATOM 0 HB3 GLU A 29 -10.870 12.085 1.276 1.00 24.45 H new ATOM 0 HG2 GLU A 29 -9.810 13.860 2.309 1.00 62.24 H new ATOM 0 HG3 GLU A 29 -11.227 13.681 3.324 1.00 62.24 H new ATOM 482 N ASN A 30 -11.917 11.867 5.268 1.00 62.11 N ATOM 483 CA ASN A 30 -11.710 11.773 6.708 1.00 23.55 C ATOM 484 C ASN A 30 -12.539 10.639 7.304 1.00 22.31 C ATOM 485 O ASN A 30 -12.008 9.755 7.978 1.00 4.53 O ATOM 486 CB ASN A 30 -12.074 13.096 7.385 1.00 72.41 C ATOM 487 CG ASN A 30 -12.075 12.991 8.898 1.00 63.42 C ATOM 488 OD1 ASN A 30 -11.049 12.696 9.511 1.00 63.40 O ATOM 489 ND2 ASN A 30 -13.230 13.232 9.507 1.00 4.11 N ATOM 0 H ASN A 30 -12.380 12.724 4.963 1.00 62.11 H new ATOM 0 HA ASN A 30 -10.656 11.561 6.885 1.00 23.55 H new ATOM 0 HB2 ASN A 30 -11.366 13.865 7.078 1.00 72.41 H new ATOM 0 HB3 ASN A 30 -13.059 13.416 7.045 1.00 72.41 H new ATOM 0 HD21 ASN A 30 -13.292 13.176 10.524 1.00 4.11 H new ATOM 0 HD22 ASN A 30 -14.055 13.473 8.958 1.00 4.11 H new ATOM 496 N CYS A 31 -13.842 10.670 7.050 1.00 32.11 N ATOM 497 CA CYS A 31 -14.746 9.645 7.561 1.00 24.01 C ATOM 498 C CYS A 31 -14.469 8.298 6.901 1.00 42.20 C ATOM 499 O CYS A 31 -14.412 7.266 7.570 1.00 12.21 O ATOM 500 CB CYS A 31 -16.200 10.054 7.324 1.00 71.50 C ATOM 501 SG CYS A 31 -16.860 11.189 8.567 1.00 60.11 S ATOM 0 H CYS A 31 -14.297 11.394 6.493 1.00 32.11 H new ATOM 0 HA CYS A 31 -14.575 9.546 8.633 1.00 24.01 H new ATOM 0 HB2 CYS A 31 -16.279 10.521 6.342 1.00 71.50 H new ATOM 0 HB3 CYS A 31 -16.819 9.157 7.301 1.00 71.50 H new ATOM 0 HG CYS A 31 -16.617 10.720 9.755 1.00 60.11 H new ATOM 507 N LYS A 32 -14.299 8.315 5.583 1.00 25.13 N ATOM 508 CA LYS A 32 -14.028 7.096 4.831 1.00 71.33 C ATOM 509 C LYS A 32 -12.707 6.470 5.266 1.00 61.34 C ATOM 510 O LYS A 32 -12.534 5.252 5.202 1.00 41.30 O ATOM 511 CB LYS A 32 -13.993 7.395 3.330 1.00 14.24 C ATOM 512 CG LYS A 32 -13.514 6.226 2.488 1.00 62.03 C ATOM 513 CD LYS A 32 -14.314 6.100 1.202 1.00 22.11 C ATOM 514 CE LYS A 32 -13.575 6.715 0.023 1.00 22.52 C ATOM 515 NZ LYS A 32 -14.510 7.153 -1.050 1.00 4.23 N ATOM 0 H LYS A 32 -14.344 9.160 5.014 1.00 25.13 H new ATOM 0 HA LYS A 32 -14.830 6.387 5.036 1.00 71.33 H new ATOM 0 HB2 LYS A 32 -14.992 7.683 3.002 1.00 14.24 H new ATOM 0 HB3 LYS A 32 -13.341 8.250 3.154 1.00 14.24 H new ATOM 0 HG2 LYS A 32 -12.458 6.357 2.250 1.00 62.03 H new ATOM 0 HG3 LYS A 32 -13.599 5.304 3.062 1.00 62.03 H new ATOM 0 HD2 LYS A 32 -14.514 5.048 0.999 1.00 22.11 H new ATOM 0 HD3 LYS A 32 -15.280 6.591 1.323 1.00 22.11 H new ATOM 0 HE2 LYS A 32 -12.990 7.569 0.366 1.00 22.52 H new ATOM 0 HE3 LYS A 32 -12.871 5.989 -0.383 1.00 22.52 H new ATOM 0 HZ1 LYS A 32 -13.968 7.566 -1.835 1.00 4.23 H new ATOM 0 HZ2 LYS A 32 -15.050 6.334 -1.395 1.00 4.23 H new ATOM 0 HZ3 LYS A 32 -15.166 7.865 -0.670 1.00 4.23 H new ATOM 529 N LYS A 33 -11.777 7.309 5.709 1.00 13.10 N ATOM 530 CA LYS A 33 -10.472 6.839 6.158 1.00 71.44 C ATOM 531 C LYS A 33 -10.616 5.858 7.317 1.00 72.32 C ATOM 532 O LYS A 33 -9.702 5.086 7.607 1.00 44.43 O ATOM 533 CB LYS A 33 -9.599 8.022 6.582 1.00 21.41 C ATOM 534 CG LYS A 33 -8.562 8.415 5.545 1.00 42.23 C ATOM 535 CD LYS A 33 -7.151 8.127 6.029 1.00 21.33 C ATOM 536 CE LYS A 33 -6.429 9.402 6.436 1.00 14.40 C ATOM 537 NZ LYS A 33 -6.846 9.868 7.788 1.00 52.54 N ATOM 0 H LYS A 33 -11.903 8.320 5.767 1.00 13.10 H new ATOM 0 HA LYS A 33 -9.994 6.323 5.326 1.00 71.44 H new ATOM 0 HB2 LYS A 33 -10.239 8.880 6.787 1.00 21.41 H new ATOM 0 HB3 LYS A 33 -9.092 7.773 7.514 1.00 21.41 H new ATOM 0 HG2 LYS A 33 -8.748 7.871 4.619 1.00 42.23 H new ATOM 0 HG3 LYS A 33 -8.659 9.476 5.316 1.00 42.23 H new ATOM 0 HD2 LYS A 33 -7.189 7.443 6.877 1.00 21.33 H new ATOM 0 HD3 LYS A 33 -6.590 7.626 5.240 1.00 21.33 H new ATOM 0 HE2 LYS A 33 -5.353 9.229 6.428 1.00 14.40 H new ATOM 0 HE3 LYS A 33 -6.632 10.184 5.704 1.00 14.40 H new ATOM 0 HZ1 LYS A 33 -6.332 10.739 8.029 1.00 52.54 H new ATOM 0 HZ2 LYS A 33 -7.869 10.058 7.790 1.00 52.54 H new ATOM 0 HZ3 LYS A 33 -6.629 9.133 8.491 1.00 52.54 H new ATOM 551 N ARG A 34 -11.770 5.892 7.975 1.00 73.01 N ATOM 552 CA ARG A 34 -12.034 5.006 9.102 1.00 24.41 C ATOM 553 C ARG A 34 -12.398 3.605 8.619 1.00 62.12 C ATOM 554 O ARG A 34 -12.597 2.693 9.420 1.00 4.24 O ATOM 555 CB ARG A 34 -13.163 5.568 9.968 1.00 61.25 C ATOM 556 CG ARG A 34 -12.816 5.647 11.445 1.00 32.33 C ATOM 557 CD ARG A 34 -13.349 6.924 12.075 1.00 45.40 C ATOM 558 NE ARG A 34 -13.313 6.872 13.534 1.00 60.40 N ATOM 559 CZ ARG A 34 -12.191 6.921 14.244 1.00 34.11 C ATOM 560 NH1 ARG A 34 -11.020 7.024 13.632 1.00 4.14 N ATOM 561 NH2 ARG A 34 -12.241 6.868 15.569 1.00 63.50 N ATOM 0 H ARG A 34 -12.537 6.524 7.747 1.00 73.01 H new ATOM 0 HA ARG A 34 -11.125 4.941 9.700 1.00 24.41 H new ATOM 0 HB2 ARG A 34 -13.422 6.565 9.611 1.00 61.25 H new ATOM 0 HB3 ARG A 34 -14.049 4.945 9.844 1.00 61.25 H new ATOM 0 HG2 ARG A 34 -13.231 4.783 11.964 1.00 32.33 H new ATOM 0 HG3 ARG A 34 -11.734 5.603 11.568 1.00 32.33 H new ATOM 0 HD2 ARG A 34 -12.759 7.773 11.728 1.00 45.40 H new ATOM 0 HD3 ARG A 34 -14.374 7.091 11.744 1.00 45.40 H new ATOM 0 HE ARG A 34 -14.198 6.794 14.036 1.00 60.40 H new ATOM 0 HH11 ARG A 34 -10.979 7.066 12.614 1.00 4.14 H new ATOM 0 HH12 ARG A 34 -10.160 7.061 14.179 1.00 4.14 H new ATOM 0 HH21 ARG A 34 -13.141 6.790 16.043 1.00 63.50 H new ATOM 0 HH22 ARG A 34 -11.379 6.906 16.114 1.00 63.50 H new ATOM 575 N ASN A 35 -12.484 3.442 7.302 1.00 2.54 N ATOM 576 CA ASN A 35 -12.825 2.153 6.712 1.00 13.31 C ATOM 577 C ASN A 35 -11.908 1.833 5.536 1.00 4.41 C ATOM 578 O ASN A 35 -11.152 0.863 5.572 1.00 61.33 O ATOM 579 CB ASN A 35 -14.284 2.151 6.251 1.00 70.44 C ATOM 580 CG ASN A 35 -15.244 2.521 7.365 1.00 43.21 C ATOM 581 OD1 ASN A 35 -15.885 1.655 7.960 1.00 12.42 O ATOM 582 ND2 ASN A 35 -15.346 3.814 7.652 1.00 71.32 N ATOM 0 H ASN A 35 -12.322 4.187 6.624 1.00 2.54 H new ATOM 0 HA ASN A 35 -12.690 1.385 7.474 1.00 13.31 H new ATOM 0 HB2 ASN A 35 -14.402 2.853 5.426 1.00 70.44 H new ATOM 0 HB3 ASN A 35 -14.540 1.163 5.868 1.00 70.44 H new ATOM 0 HD21 ASN A 35 -15.975 4.124 8.392 1.00 71.32 H new ATOM 0 HD22 ASN A 35 -14.795 4.497 7.132 1.00 71.32 H new ATOM 589 N MET A 36 -11.979 2.657 4.496 1.00 52.05 N ATOM 590 CA MET A 36 -11.153 2.463 3.309 1.00 35.23 C ATOM 591 C MET A 36 -10.253 3.671 3.070 1.00 21.51 C ATOM 592 O MET A 36 -10.490 4.485 2.178 1.00 55.10 O ATOM 593 CB MET A 36 -12.035 2.218 2.083 1.00 44.02 C ATOM 594 CG MET A 36 -11.246 1.998 0.802 1.00 1.31 C ATOM 595 SD MET A 36 -12.096 0.912 -0.359 1.00 41.13 S ATOM 596 CE MET A 36 -10.707 0.072 -1.116 1.00 23.34 C ATOM 0 H MET A 36 -12.600 3.465 4.451 1.00 52.05 H new ATOM 0 HA MET A 36 -10.522 1.590 3.474 1.00 35.23 H new ATOM 0 HB2 MET A 36 -12.665 1.347 2.266 1.00 44.02 H new ATOM 0 HB3 MET A 36 -12.701 3.070 1.948 1.00 44.02 H new ATOM 0 HG2 MET A 36 -11.060 2.960 0.324 1.00 1.31 H new ATOM 0 HG3 MET A 36 -10.274 1.571 1.048 1.00 1.31 H new ATOM 0 HE1 MET A 36 -11.072 -0.636 -1.860 1.00 23.34 H new ATOM 0 HE2 MET A 36 -10.058 0.803 -1.598 1.00 23.34 H new ATOM 0 HE3 MET A 36 -10.144 -0.463 -0.351 1.00 23.34 H new ATOM 606 N PRO A 37 -9.194 3.791 3.885 1.00 52.13 N ATOM 607 CA PRO A 37 -8.237 4.896 3.780 1.00 10.55 C ATOM 608 C PRO A 37 -7.382 4.806 2.521 1.00 24.24 C ATOM 609 O PRO A 37 -7.142 3.717 1.998 1.00 31.43 O ATOM 610 CB PRO A 37 -7.368 4.733 5.030 1.00 33.51 C ATOM 611 CG PRO A 37 -7.465 3.286 5.372 1.00 74.32 C ATOM 612 CD PRO A 37 -8.850 2.857 4.970 1.00 43.31 C ATOM 0 HA PRO A 37 -8.737 5.862 3.715 1.00 10.55 H new ATOM 0 HB2 PRO A 37 -6.336 5.026 4.836 1.00 33.51 H new ATOM 0 HB3 PRO A 37 -7.728 5.358 5.847 1.00 33.51 H new ATOM 0 HG2 PRO A 37 -6.708 2.708 4.842 1.00 74.32 H new ATOM 0 HG3 PRO A 37 -7.300 3.125 6.437 1.00 74.32 H new ATOM 0 HD2 PRO A 37 -8.867 1.822 4.630 1.00 43.31 H new ATOM 0 HD3 PRO A 37 -9.551 2.931 5.801 1.00 43.31 H new ATOM 620 N LEU A 38 -6.923 5.956 2.039 1.00 20.44 N ATOM 621 CA LEU A 38 -6.093 6.006 0.841 1.00 62.01 C ATOM 622 C LEU A 38 -4.624 6.200 1.204 1.00 50.13 C ATOM 623 O LEU A 38 -4.250 6.129 2.374 1.00 41.11 O ATOM 624 CB LEU A 38 -6.557 7.138 -0.078 1.00 20.43 C ATOM 625 CG LEU A 38 -7.128 6.712 -1.431 1.00 0.31 C ATOM 626 CD1 LEU A 38 -6.112 5.886 -2.203 1.00 65.31 C ATOM 627 CD2 LEU A 38 -8.421 5.932 -1.243 1.00 24.53 C ATOM 0 H LEU A 38 -7.112 6.866 2.460 1.00 20.44 H new ATOM 0 HA LEU A 38 -6.196 5.056 0.317 1.00 62.01 H new ATOM 0 HB2 LEU A 38 -7.315 7.718 0.448 1.00 20.43 H new ATOM 0 HB3 LEU A 38 -5.713 7.804 -0.256 1.00 20.43 H new ATOM 0 HG LEU A 38 -7.350 7.609 -2.009 1.00 0.31 H new ATOM 0 HD11 LEU A 38 -6.536 5.592 -3.163 1.00 65.31 H new ATOM 0 HD12 LEU A 38 -5.213 6.479 -2.370 1.00 65.31 H new ATOM 0 HD13 LEU A 38 -5.858 4.994 -1.630 1.00 65.31 H new ATOM 0 HD21 LEU A 38 -8.813 5.637 -2.216 1.00 24.53 H new ATOM 0 HD22 LEU A 38 -8.225 5.041 -0.646 1.00 24.53 H new ATOM 0 HD23 LEU A 38 -9.152 6.558 -0.732 1.00 24.53 H new ATOM 639 N GLN A 39 -3.798 6.447 0.192 1.00 3.44 N ATOM 640 CA GLN A 39 -2.370 6.654 0.406 1.00 71.51 C ATOM 641 C GLN A 39 -2.105 8.017 1.036 1.00 72.11 C ATOM 642 O GLN A 39 -1.267 8.147 1.928 1.00 11.10 O ATOM 643 CB GLN A 39 -1.613 6.534 -0.918 1.00 4.24 C ATOM 644 CG GLN A 39 -0.153 6.950 -0.823 1.00 55.01 C ATOM 645 CD GLN A 39 0.525 6.419 0.424 1.00 21.21 C ATOM 646 OE1 GLN A 39 0.303 5.276 0.827 1.00 45.43 O ATOM 647 NE2 GLN A 39 1.358 7.247 1.044 1.00 61.05 N ATOM 0 H GLN A 39 -4.092 6.509 -0.783 1.00 3.44 H new ATOM 0 HA GLN A 39 -2.015 5.884 1.091 1.00 71.51 H new ATOM 0 HB2 GLN A 39 -1.667 5.502 -1.266 1.00 4.24 H new ATOM 0 HB3 GLN A 39 -2.110 7.149 -1.668 1.00 4.24 H new ATOM 0 HG2 GLN A 39 0.381 6.591 -1.703 1.00 55.01 H new ATOM 0 HG3 GLN A 39 -0.088 8.038 -0.832 1.00 55.01 H new ATOM 0 HE21 GLN A 39 1.513 8.185 0.675 1.00 61.05 H new ATOM 0 HE22 GLN A 39 1.843 6.944 1.889 1.00 61.05 H new ATOM 656 N SER A 40 -2.825 9.031 0.566 1.00 61.45 N ATOM 657 CA SER A 40 -2.664 10.386 1.080 1.00 34.40 C ATOM 658 C SER A 40 -3.878 11.244 0.737 1.00 42.35 C ATOM 659 O SER A 40 -4.714 11.528 1.595 1.00 43.40 O ATOM 660 CB SER A 40 -1.396 11.023 0.510 1.00 51.41 C ATOM 661 OG SER A 40 -0.234 10.398 1.026 1.00 32.14 O ATOM 0 H SER A 40 -3.525 8.940 -0.170 1.00 61.45 H new ATOM 0 HA SER A 40 -2.576 10.329 2.165 1.00 34.40 H new ATOM 0 HB2 SER A 40 -1.403 10.944 -0.577 1.00 51.41 H new ATOM 0 HB3 SER A 40 -1.379 12.086 0.752 1.00 51.41 H new ATOM 0 HG SER A 40 -0.490 9.752 1.717 1.00 32.14 H new ATOM 667 N ILE A 41 -3.967 11.654 -0.524 1.00 44.32 N ATOM 668 CA ILE A 41 -5.077 12.479 -0.982 1.00 54.52 C ATOM 669 C ILE A 41 -5.959 11.718 -1.966 1.00 61.21 C ATOM 670 O ILE A 41 -5.668 11.631 -3.159 1.00 74.53 O ATOM 671 CB ILE A 41 -4.579 13.773 -1.652 1.00 43.34 C ATOM 672 CG1 ILE A 41 -3.713 14.577 -0.679 1.00 70.54 C ATOM 673 CG2 ILE A 41 -5.756 14.607 -2.135 1.00 41.51 C ATOM 674 CD1 ILE A 41 -2.245 14.589 -1.046 1.00 14.53 C ATOM 0 H ILE A 41 -3.283 11.428 -1.246 1.00 44.32 H new ATOM 0 HA ILE A 41 -5.661 12.738 -0.099 1.00 54.52 H new ATOM 0 HB ILE A 41 -3.970 13.506 -2.515 1.00 43.34 H new ATOM 0 HG12 ILE A 41 -4.079 15.603 -0.642 1.00 70.54 H new ATOM 0 HG13 ILE A 41 -3.826 14.163 0.323 1.00 70.54 H new ATOM 0 HG21 ILE A 41 -5.387 15.518 -2.606 1.00 41.51 H new ATOM 0 HG22 ILE A 41 -6.336 14.034 -2.858 1.00 41.51 H new ATOM 0 HG23 ILE A 41 -6.389 14.868 -1.287 1.00 41.51 H new ATOM 0 HD11 ILE A 41 -1.692 15.177 -0.314 1.00 14.53 H new ATOM 0 HD12 ILE A 41 -1.864 13.568 -1.055 1.00 14.53 H new ATOM 0 HD13 ILE A 41 -2.121 15.031 -2.035 1.00 14.53 H new ATOM 686 N PRO A 42 -7.064 11.154 -1.456 1.00 60.34 N ATOM 687 CA PRO A 42 -8.013 10.391 -2.274 1.00 5.24 C ATOM 688 C PRO A 42 -8.792 11.279 -3.237 1.00 40.24 C ATOM 689 O PRO A 42 -9.613 12.094 -2.818 1.00 1.20 O ATOM 690 CB PRO A 42 -8.954 9.771 -1.238 1.00 62.42 C ATOM 691 CG PRO A 42 -8.878 10.683 -0.063 1.00 31.33 C ATOM 692 CD PRO A 42 -7.473 11.217 -0.043 1.00 42.32 C ATOM 0 HA PRO A 42 -7.511 9.659 -2.906 1.00 5.24 H new ATOM 0 HB2 PRO A 42 -9.973 9.702 -1.620 1.00 62.42 H new ATOM 0 HB3 PRO A 42 -8.642 8.760 -0.975 1.00 62.42 H new ATOM 0 HG2 PRO A 42 -9.602 11.493 -0.150 1.00 31.33 H new ATOM 0 HG3 PRO A 42 -9.106 10.150 0.860 1.00 31.33 H new ATOM 0 HD2 PRO A 42 -7.436 12.236 0.341 1.00 42.32 H new ATOM 0 HD3 PRO A 42 -6.823 10.614 0.591 1.00 42.32 H new ATOM 700 N GLU A 43 -8.529 11.115 -4.530 1.00 53.12 N ATOM 701 CA GLU A 43 -9.207 11.903 -5.553 1.00 11.32 C ATOM 702 C GLU A 43 -9.280 11.137 -6.871 1.00 1.43 C ATOM 703 O GLU A 43 -8.343 10.429 -7.241 1.00 53.15 O ATOM 704 CB GLU A 43 -8.485 13.235 -5.764 1.00 5.53 C ATOM 705 CG GLU A 43 -9.423 14.403 -6.019 1.00 2.12 C ATOM 706 CD GLU A 43 -10.255 14.219 -7.273 1.00 14.23 C ATOM 707 OE1 GLU A 43 -9.734 14.489 -8.375 1.00 52.41 O ATOM 708 OE2 GLU A 43 -11.427 13.806 -7.152 1.00 74.40 O ATOM 0 H GLU A 43 -7.852 10.444 -4.894 1.00 53.12 H new ATOM 0 HA GLU A 43 -10.223 12.099 -5.210 1.00 11.32 H new ATOM 0 HB2 GLU A 43 -7.878 13.453 -4.885 1.00 5.53 H new ATOM 0 HB3 GLU A 43 -7.801 13.138 -6.607 1.00 5.53 H new ATOM 0 HG2 GLU A 43 -10.086 14.526 -5.162 1.00 2.12 H new ATOM 0 HG3 GLU A 43 -8.840 15.320 -6.105 1.00 2.12 H new ATOM 715 N ILE A 44 -10.398 11.285 -7.573 1.00 34.34 N ATOM 716 CA ILE A 44 -10.593 10.608 -8.849 1.00 35.13 C ATOM 717 C ILE A 44 -11.436 11.455 -9.797 1.00 65.30 C ATOM 718 O ILE A 44 -12.597 11.750 -9.517 1.00 45.14 O ATOM 719 CB ILE A 44 -11.272 9.238 -8.661 1.00 54.25 C ATOM 720 CG1 ILE A 44 -10.395 8.322 -7.806 1.00 2.20 C ATOM 721 CG2 ILE A 44 -11.556 8.599 -10.012 1.00 70.44 C ATOM 722 CD1 ILE A 44 -9.100 7.924 -8.480 1.00 11.35 C ATOM 0 H ILE A 44 -11.182 11.867 -7.280 1.00 34.34 H new ATOM 0 HA ILE A 44 -9.604 10.458 -9.282 1.00 35.13 H new ATOM 0 HB ILE A 44 -12.220 9.387 -8.144 1.00 54.25 H new ATOM 0 HG12 ILE A 44 -10.167 8.825 -6.866 1.00 2.20 H new ATOM 0 HG13 ILE A 44 -10.958 7.422 -7.558 1.00 2.20 H new ATOM 0 HG21 ILE A 44 -12.036 7.632 -9.863 1.00 70.44 H new ATOM 0 HG22 ILE A 44 -12.216 9.247 -10.589 1.00 70.44 H new ATOM 0 HG23 ILE A 44 -10.620 8.460 -10.553 1.00 70.44 H new ATOM 0 HD11 ILE A 44 -8.529 7.275 -7.816 1.00 11.35 H new ATOM 0 HD12 ILE A 44 -9.320 7.393 -9.406 1.00 11.35 H new ATOM 0 HD13 ILE A 44 -8.517 8.817 -8.704 1.00 11.35 H new ATOM 734 N GLY A 45 -10.842 11.841 -10.922 1.00 43.22 N ATOM 735 CA GLY A 45 -11.552 12.649 -11.896 1.00 72.03 C ATOM 736 C GLY A 45 -11.265 14.129 -11.742 1.00 13.32 C ATOM 737 O GLY A 45 -10.422 14.682 -12.447 1.00 73.32 O ATOM 0 H GLY A 45 -9.882 11.609 -11.176 1.00 43.22 H new ATOM 0 HA2 GLY A 45 -11.273 12.331 -12.900 1.00 72.03 H new ATOM 0 HA3 GLY A 45 -12.624 12.477 -11.794 1.00 72.03 H new ATOM 741 N ASN A 46 -11.970 14.774 -10.817 1.00 63.30 N ATOM 742 CA ASN A 46 -11.788 16.200 -10.574 1.00 3.11 C ATOM 743 C ASN A 46 -12.719 16.686 -9.467 1.00 42.55 C ATOM 744 O ASN A 46 -13.285 17.776 -9.553 1.00 55.04 O ATOM 745 CB ASN A 46 -12.043 16.994 -11.857 1.00 12.04 C ATOM 746 CG ASN A 46 -11.021 18.094 -12.069 1.00 62.32 C ATOM 747 OD1 ASN A 46 -9.902 17.839 -12.515 1.00 70.31 O ATOM 748 ND2 ASN A 46 -11.402 19.325 -11.750 1.00 3.22 N ATOM 0 H ASN A 46 -12.672 14.331 -10.224 1.00 63.30 H new ATOM 0 HA ASN A 46 -10.758 16.361 -10.255 1.00 3.11 H new ATOM 0 HB2 ASN A 46 -12.025 16.316 -12.710 1.00 12.04 H new ATOM 0 HB3 ASN A 46 -13.041 17.431 -11.818 1.00 12.04 H new ATOM 0 HD21 ASN A 46 -10.757 20.106 -11.871 1.00 3.22 H new ATOM 0 HD22 ASN A 46 -12.339 19.490 -11.383 1.00 3.22 H new ATOM 755 N ARG A 47 -12.871 15.871 -8.429 1.00 53.30 N ATOM 756 CA ARG A 47 -13.734 16.218 -7.306 1.00 22.22 C ATOM 757 C ARG A 47 -15.186 16.348 -7.755 1.00 72.45 C ATOM 758 O ARG A 47 -15.560 17.320 -8.412 1.00 61.31 O ATOM 759 CB ARG A 47 -13.269 17.526 -6.663 1.00 20.21 C ATOM 760 CG ARG A 47 -11.787 17.545 -6.325 1.00 13.43 C ATOM 761 CD ARG A 47 -11.022 18.498 -7.230 1.00 62.30 C ATOM 762 NE ARG A 47 -11.554 19.856 -7.170 1.00 4.52 N ATOM 763 CZ ARG A 47 -11.330 20.775 -8.103 1.00 11.21 C ATOM 764 NH1 ARG A 47 -10.589 20.482 -9.163 1.00 31.05 N ATOM 765 NH2 ARG A 47 -11.849 21.990 -7.977 1.00 42.02 N ATOM 0 H ARG A 47 -12.408 14.966 -8.342 1.00 53.30 H new ATOM 0 HA ARG A 47 -13.670 15.416 -6.570 1.00 22.22 H new ATOM 0 HB2 ARG A 47 -13.489 18.352 -7.339 1.00 20.21 H new ATOM 0 HB3 ARG A 47 -13.843 17.698 -5.752 1.00 20.21 H new ATOM 0 HG2 ARG A 47 -11.654 17.843 -5.285 1.00 13.43 H new ATOM 0 HG3 ARG A 47 -11.377 16.540 -6.424 1.00 13.43 H new ATOM 0 HD2 ARG A 47 -9.971 18.507 -6.941 1.00 62.30 H new ATOM 0 HD3 ARG A 47 -11.067 18.136 -8.257 1.00 62.30 H new ATOM 0 HE ARG A 47 -12.129 20.113 -6.368 1.00 4.52 H new ATOM 0 HH11 ARG A 47 -10.189 19.549 -9.264 1.00 31.05 H new ATOM 0 HH12 ARG A 47 -10.419 21.190 -9.878 1.00 31.05 H new ATOM 0 HH21 ARG A 47 -12.420 22.219 -7.163 1.00 42.02 H new ATOM 0 HH22 ARG A 47 -11.677 22.695 -8.694 1.00 42.02 H new ATOM 779 N LYS A 48 -16.001 15.361 -7.398 1.00 31.10 N ATOM 780 CA LYS A 48 -17.413 15.364 -7.763 1.00 63.41 C ATOM 781 C LYS A 48 -18.269 14.811 -6.628 1.00 53.32 C ATOM 782 O LYS A 48 -19.453 14.526 -6.814 1.00 2.43 O ATOM 783 CB LYS A 48 -17.634 14.537 -9.032 1.00 11.20 C ATOM 784 CG LYS A 48 -17.007 15.148 -10.273 1.00 51.50 C ATOM 785 CD LYS A 48 -16.559 14.080 -11.256 1.00 33.42 C ATOM 786 CE LYS A 48 -16.069 14.691 -12.559 1.00 54.14 C ATOM 787 NZ LYS A 48 -16.518 13.907 -13.743 1.00 70.21 N ATOM 0 H LYS A 48 -15.708 14.548 -6.856 1.00 31.10 H new ATOM 0 HA LYS A 48 -17.712 16.395 -7.951 1.00 63.41 H new ATOM 0 HB2 LYS A 48 -17.223 13.539 -8.881 1.00 11.20 H new ATOM 0 HB3 LYS A 48 -18.705 14.419 -9.197 1.00 11.20 H new ATOM 0 HG2 LYS A 48 -17.726 15.810 -10.756 1.00 51.50 H new ATOM 0 HG3 LYS A 48 -16.152 15.761 -9.986 1.00 51.50 H new ATOM 0 HD2 LYS A 48 -15.762 13.485 -10.810 1.00 33.42 H new ATOM 0 HD3 LYS A 48 -17.387 13.402 -11.460 1.00 33.42 H new ATOM 0 HE2 LYS A 48 -16.436 15.714 -12.641 1.00 54.14 H new ATOM 0 HE3 LYS A 48 -14.980 14.742 -12.549 1.00 54.14 H new ATOM 0 HZ1 LYS A 48 -15.710 13.743 -14.377 1.00 70.21 H new ATOM 0 HZ2 LYS A 48 -16.903 12.993 -13.429 1.00 70.21 H new ATOM 0 HZ3 LYS A 48 -17.255 14.437 -14.251 1.00 70.21 H new ATOM 801 N ILE A 49 -17.665 14.664 -5.454 1.00 45.13 N ATOM 802 CA ILE A 49 -18.373 14.149 -4.290 1.00 34.43 C ATOM 803 C ILE A 49 -19.098 15.267 -3.548 1.00 22.43 C ATOM 804 O ILE A 49 -19.823 15.018 -2.585 1.00 45.52 O ATOM 805 CB ILE A 49 -17.415 13.439 -3.316 1.00 24.43 C ATOM 806 CG1 ILE A 49 -16.446 12.538 -4.085 1.00 60.00 C ATOM 807 CG2 ILE A 49 -18.200 12.630 -2.294 1.00 52.11 C ATOM 808 CD1 ILE A 49 -15.080 13.155 -4.289 1.00 70.13 C ATOM 0 H ILE A 49 -16.686 14.895 -5.284 1.00 45.13 H new ATOM 0 HA ILE A 49 -19.103 13.428 -4.659 1.00 34.43 H new ATOM 0 HB ILE A 49 -16.836 14.195 -2.785 1.00 24.43 H new ATOM 0 HG12 ILE A 49 -16.334 11.596 -3.547 1.00 60.00 H new ATOM 0 HG13 ILE A 49 -16.877 12.301 -5.057 1.00 60.00 H new ATOM 0 HG21 ILE A 49 -17.508 12.134 -1.613 1.00 52.11 H new ATOM 0 HG22 ILE A 49 -18.853 13.294 -1.728 1.00 52.11 H new ATOM 0 HG23 ILE A 49 -18.802 11.881 -2.808 1.00 52.11 H new ATOM 0 HD11 ILE A 49 -14.446 12.461 -4.841 1.00 70.13 H new ATOM 0 HD12 ILE A 49 -15.180 14.082 -4.853 1.00 70.13 H new ATOM 0 HD13 ILE A 49 -14.628 13.367 -3.320 1.00 70.13 H new ATOM 820 N ASN A 50 -18.898 16.499 -4.004 1.00 25.20 N ATOM 821 CA ASN A 50 -19.533 17.656 -3.384 1.00 61.02 C ATOM 822 C ASN A 50 -21.013 17.725 -3.750 1.00 25.14 C ATOM 823 O ASN A 50 -21.429 17.228 -4.797 1.00 65.11 O ATOM 824 CB ASN A 50 -18.829 18.943 -3.817 1.00 44.41 C ATOM 825 CG ASN A 50 -19.417 20.175 -3.156 1.00 74.12 C ATOM 826 OD1 ASN A 50 -19.808 21.128 -3.830 1.00 72.14 O ATOM 827 ND2 ASN A 50 -19.483 20.160 -1.830 1.00 1.10 N ATOM 0 H ASN A 50 -18.301 16.722 -4.801 1.00 25.20 H new ATOM 0 HA ASN A 50 -19.449 17.550 -2.302 1.00 61.02 H new ATOM 0 HB2 ASN A 50 -17.769 18.874 -3.572 1.00 44.41 H new ATOM 0 HB3 ASN A 50 -18.900 19.046 -4.900 1.00 44.41 H new ATOM 0 HD21 ASN A 50 -19.870 20.960 -1.330 1.00 1.10 H new ATOM 0 HD22 ASN A 50 -19.147 19.348 -1.312 1.00 1.10 H new ATOM 834 N LEU A 51 -21.803 18.344 -2.880 1.00 3.42 N ATOM 835 CA LEU A 51 -23.237 18.480 -3.110 1.00 62.35 C ATOM 836 C LEU A 51 -23.517 19.481 -4.227 1.00 22.33 C ATOM 837 O LEU A 51 -24.587 19.464 -4.836 1.00 4.21 O ATOM 838 CB LEU A 51 -23.941 18.921 -1.826 1.00 25.11 C ATOM 839 CG LEU A 51 -25.162 18.099 -1.413 1.00 61.53 C ATOM 840 CD1 LEU A 51 -26.233 18.156 -2.491 1.00 61.34 C ATOM 841 CD2 LEU A 51 -24.764 16.657 -1.130 1.00 44.34 C ATOM 0 H LEU A 51 -21.475 18.760 -2.008 1.00 3.42 H new ATOM 0 HA LEU A 51 -23.625 17.507 -3.413 1.00 62.35 H new ATOM 0 HB2 LEU A 51 -23.217 18.894 -1.011 1.00 25.11 H new ATOM 0 HB3 LEU A 51 -24.250 19.960 -1.943 1.00 25.11 H new ATOM 0 HG LEU A 51 -25.572 18.528 -0.499 1.00 61.53 H new ATOM 0 HD11 LEU A 51 -27.094 17.565 -2.180 1.00 61.34 H new ATOM 0 HD12 LEU A 51 -26.539 19.191 -2.645 1.00 61.34 H new ATOM 0 HD13 LEU A 51 -25.834 17.753 -3.422 1.00 61.34 H new ATOM 0 HD21 LEU A 51 -25.646 16.087 -0.837 1.00 44.34 H new ATOM 0 HD22 LEU A 51 -24.329 16.217 -2.027 1.00 44.34 H new ATOM 0 HD23 LEU A 51 -24.032 16.633 -0.322 1.00 44.34 H new ATOM 853 N PHE A 52 -22.547 20.350 -4.491 1.00 54.44 N ATOM 854 CA PHE A 52 -22.689 21.358 -5.536 1.00 2.54 C ATOM 855 C PHE A 52 -22.042 20.889 -6.836 1.00 14.13 C ATOM 856 O PHE A 52 -22.528 21.189 -7.927 1.00 2.13 O ATOM 857 CB PHE A 52 -22.059 22.679 -5.088 1.00 14.24 C ATOM 858 CG PHE A 52 -22.632 23.882 -5.782 1.00 21.13 C ATOM 859 CD1 PHE A 52 -22.282 24.175 -7.090 1.00 4.22 C ATOM 860 CD2 PHE A 52 -23.521 24.719 -5.126 1.00 65.23 C ATOM 861 CE1 PHE A 52 -22.806 25.282 -7.730 1.00 74.24 C ATOM 862 CE2 PHE A 52 -24.049 25.827 -5.762 1.00 21.41 C ATOM 863 CZ PHE A 52 -23.692 26.108 -7.066 1.00 70.21 C ATOM 0 H PHE A 52 -21.655 20.377 -3.997 1.00 54.44 H new ATOM 0 HA PHE A 52 -23.753 21.512 -5.715 1.00 2.54 H new ATOM 0 HB2 PHE A 52 -22.195 22.791 -4.012 1.00 14.24 H new ATOM 0 HB3 PHE A 52 -20.985 22.641 -5.271 1.00 14.24 H new ATOM 0 HD1 PHE A 52 -21.592 23.531 -7.615 1.00 4.22 H new ATOM 0 HD2 PHE A 52 -23.804 24.503 -4.106 1.00 65.23 H new ATOM 0 HE1 PHE A 52 -22.523 25.501 -8.749 1.00 74.24 H new ATOM 0 HE2 PHE A 52 -24.740 26.472 -5.240 1.00 21.41 H new ATOM 0 HZ PHE A 52 -24.105 26.972 -7.566 1.00 70.21 H new ATOM 873 N TYR A 53 -20.945 20.152 -6.711 1.00 25.12 N ATOM 874 CA TYR A 53 -20.229 19.643 -7.875 1.00 1.21 C ATOM 875 C TYR A 53 -21.004 18.509 -8.538 1.00 72.20 C ATOM 876 O TYR A 53 -21.180 18.491 -9.757 1.00 72.40 O ATOM 877 CB TYR A 53 -18.836 19.156 -7.471 1.00 13.21 C ATOM 878 CG TYR A 53 -17.837 19.170 -8.606 1.00 11.53 C ATOM 879 CD1 TYR A 53 -17.970 18.305 -9.685 1.00 1.40 C ATOM 880 CD2 TYR A 53 -16.760 20.048 -8.598 1.00 60.12 C ATOM 881 CE1 TYR A 53 -17.059 18.314 -10.724 1.00 12.33 C ATOM 882 CE2 TYR A 53 -15.845 20.065 -9.633 1.00 73.23 C ATOM 883 CZ TYR A 53 -15.999 19.196 -10.694 1.00 0.05 C ATOM 884 OH TYR A 53 -15.089 19.209 -11.726 1.00 31.32 O ATOM 0 H TYR A 53 -20.531 19.893 -5.815 1.00 25.12 H new ATOM 0 HA TYR A 53 -20.128 20.458 -8.592 1.00 1.21 H new ATOM 0 HB2 TYR A 53 -18.462 19.782 -6.661 1.00 13.21 H new ATOM 0 HB3 TYR A 53 -18.914 18.142 -7.079 1.00 13.21 H new ATOM 0 HD1 TYR A 53 -18.799 17.614 -9.712 1.00 1.40 H new ATOM 0 HD2 TYR A 53 -16.636 20.729 -7.769 1.00 60.12 H new ATOM 0 HE1 TYR A 53 -17.176 17.634 -11.555 1.00 12.33 H new ATOM 0 HE2 TYR A 53 -15.014 20.754 -9.612 1.00 73.23 H new ATOM 0 HH TYR A 53 -14.405 19.889 -11.551 1.00 31.32 H new ATOM 894 N LEU A 54 -21.466 17.564 -7.727 1.00 32.22 N ATOM 895 CA LEU A 54 -22.224 16.425 -8.233 1.00 31.42 C ATOM 896 C LEU A 54 -23.533 16.881 -8.870 1.00 23.20 C ATOM 897 O LEU A 54 -24.041 16.243 -9.792 1.00 53.23 O ATOM 898 CB LEU A 54 -22.512 15.436 -7.102 1.00 21.51 C ATOM 899 CG LEU A 54 -22.582 13.961 -7.501 1.00 52.23 C ATOM 900 CD1 LEU A 54 -22.252 13.070 -6.314 1.00 12.22 C ATOM 901 CD2 LEU A 54 -23.958 13.624 -8.057 1.00 51.31 C ATOM 0 H LEU A 54 -21.329 17.564 -6.716 1.00 32.22 H new ATOM 0 HA LEU A 54 -21.623 15.931 -8.996 1.00 31.42 H new ATOM 0 HB2 LEU A 54 -21.739 15.550 -6.342 1.00 21.51 H new ATOM 0 HB3 LEU A 54 -23.459 15.711 -6.638 1.00 21.51 H new ATOM 0 HG LEU A 54 -21.842 13.780 -8.281 1.00 52.23 H new ATOM 0 HD11 LEU A 54 -22.307 12.025 -6.617 1.00 12.22 H new ATOM 0 HD12 LEU A 54 -21.245 13.293 -5.961 1.00 12.22 H new ATOM 0 HD13 LEU A 54 -22.967 13.253 -5.512 1.00 12.22 H new ATOM 0 HD21 LEU A 54 -23.990 12.571 -8.336 1.00 51.31 H new ATOM 0 HD22 LEU A 54 -24.715 13.822 -7.298 1.00 51.31 H new ATOM 0 HD23 LEU A 54 -24.156 14.238 -8.936 1.00 51.31 H new ATOM 913 N TYR A 55 -24.071 17.989 -8.374 1.00 34.14 N ATOM 914 CA TYR A 55 -25.321 18.531 -8.894 1.00 61.21 C ATOM 915 C TYR A 55 -25.092 19.250 -10.220 1.00 13.31 C ATOM 916 O TYR A 55 -25.788 18.998 -11.204 1.00 25.15 O ATOM 917 CB TYR A 55 -25.946 19.491 -7.881 1.00 1.40 C ATOM 918 CG TYR A 55 -27.141 20.246 -8.419 1.00 21.51 C ATOM 919 CD1 TYR A 55 -28.370 19.617 -8.578 1.00 22.34 C ATOM 920 CD2 TYR A 55 -27.041 21.586 -8.769 1.00 51.24 C ATOM 921 CE1 TYR A 55 -29.464 20.301 -9.069 1.00 53.34 C ATOM 922 CE2 TYR A 55 -28.131 22.279 -9.260 1.00 44.15 C ATOM 923 CZ TYR A 55 -29.340 21.632 -9.409 1.00 2.41 C ATOM 924 OH TYR A 55 -30.427 22.319 -9.899 1.00 71.31 O ATOM 0 H TYR A 55 -23.661 18.530 -7.612 1.00 34.14 H new ATOM 0 HA TYR A 55 -26.005 17.700 -9.065 1.00 61.21 H new ATOM 0 HB2 TYR A 55 -26.250 18.928 -6.999 1.00 1.40 H new ATOM 0 HB3 TYR A 55 -25.190 20.207 -7.557 1.00 1.40 H new ATOM 0 HD1 TYR A 55 -28.471 18.575 -8.313 1.00 22.34 H new ATOM 0 HD2 TYR A 55 -26.095 22.095 -8.656 1.00 51.24 H new ATOM 0 HE1 TYR A 55 -30.412 19.797 -9.186 1.00 53.34 H new ATOM 0 HE2 TYR A 55 -28.037 23.322 -9.526 1.00 44.15 H new ATOM 0 HH TYR A 55 -30.170 23.246 -10.088 1.00 71.31 H new ATOM 934 N MET A 56 -24.112 20.147 -10.237 1.00 41.34 N ATOM 935 CA MET A 56 -23.789 20.903 -11.442 1.00 73.24 C ATOM 936 C MET A 56 -23.409 19.967 -12.585 1.00 72.13 C ATOM 937 O MET A 56 -23.766 20.204 -13.740 1.00 73.21 O ATOM 938 CB MET A 56 -22.645 21.880 -11.166 1.00 53.32 C ATOM 939 CG MET A 56 -22.104 22.552 -12.418 1.00 20.50 C ATOM 940 SD MET A 56 -21.271 24.111 -12.065 1.00 11.31 S ATOM 941 CE MET A 56 -22.671 25.222 -11.941 1.00 42.15 C ATOM 0 H MET A 56 -23.528 20.368 -9.431 1.00 41.34 H new ATOM 0 HA MET A 56 -24.675 21.466 -11.736 1.00 73.24 H new ATOM 0 HB2 MET A 56 -22.992 22.647 -10.473 1.00 53.32 H new ATOM 0 HB3 MET A 56 -21.834 21.346 -10.671 1.00 53.32 H new ATOM 0 HG2 MET A 56 -21.408 21.877 -12.916 1.00 20.50 H new ATOM 0 HG3 MET A 56 -22.925 22.732 -13.112 1.00 20.50 H new ATOM 0 HE1 MET A 56 -22.317 26.230 -11.725 1.00 42.15 H new ATOM 0 HE2 MET A 56 -23.219 25.224 -12.884 1.00 42.15 H new ATOM 0 HE3 MET A 56 -23.330 24.889 -11.139 1.00 42.15 H new ATOM 951 N LEU A 57 -22.683 18.904 -12.257 1.00 32.10 N ATOM 952 CA LEU A 57 -22.254 17.932 -13.257 1.00 33.14 C ATOM 953 C LEU A 57 -23.456 17.260 -13.914 1.00 2.23 C ATOM 954 O LEU A 57 -23.537 17.170 -15.139 1.00 22.32 O ATOM 955 CB LEU A 57 -21.352 16.876 -12.616 1.00 35.35 C ATOM 956 CG LEU A 57 -21.036 15.652 -13.476 1.00 34.54 C ATOM 957 CD1 LEU A 57 -19.640 15.132 -13.172 1.00 3.02 C ATOM 958 CD2 LEU A 57 -22.073 14.561 -13.252 1.00 74.51 C ATOM 0 H LEU A 57 -22.379 18.693 -11.306 1.00 32.10 H new ATOM 0 HA LEU A 57 -21.692 18.462 -14.026 1.00 33.14 H new ATOM 0 HB2 LEU A 57 -20.412 17.351 -12.337 1.00 35.35 H new ATOM 0 HB3 LEU A 57 -21.823 16.536 -11.694 1.00 35.35 H new ATOM 0 HG LEU A 57 -21.071 15.950 -14.524 1.00 34.54 H new ATOM 0 HD11 LEU A 57 -19.433 14.261 -13.794 1.00 3.02 H new ATOM 0 HD12 LEU A 57 -18.908 15.911 -13.383 1.00 3.02 H new ATOM 0 HD13 LEU A 57 -19.577 14.851 -12.121 1.00 3.02 H new ATOM 0 HD21 LEU A 57 -21.832 13.697 -13.872 1.00 74.51 H new ATOM 0 HD22 LEU A 57 -22.070 14.266 -12.203 1.00 74.51 H new ATOM 0 HD23 LEU A 57 -23.060 14.937 -13.521 1.00 74.51 H new ATOM 970 N VAL A 58 -24.389 16.792 -13.091 1.00 21.02 N ATOM 971 CA VAL A 58 -25.588 16.131 -13.592 1.00 13.54 C ATOM 972 C VAL A 58 -26.402 17.068 -14.477 1.00 53.13 C ATOM 973 O VAL A 58 -26.791 16.706 -15.587 1.00 60.13 O ATOM 974 CB VAL A 58 -26.478 15.632 -12.437 1.00 44.24 C ATOM 975 CG1 VAL A 58 -27.742 14.983 -12.979 1.00 64.45 C ATOM 976 CG2 VAL A 58 -25.708 14.663 -11.553 1.00 4.42 C ATOM 0 H VAL A 58 -24.338 16.858 -12.074 1.00 21.02 H new ATOM 0 HA VAL A 58 -25.256 15.276 -14.181 1.00 13.54 H new ATOM 0 HB VAL A 58 -26.770 16.489 -11.830 1.00 44.24 H new ATOM 0 HG11 VAL A 58 -28.358 14.637 -12.149 1.00 64.45 H new ATOM 0 HG12 VAL A 58 -28.301 15.711 -13.567 1.00 64.45 H new ATOM 0 HG13 VAL A 58 -27.474 14.136 -13.610 1.00 64.45 H new ATOM 0 HG21 VAL A 58 -26.351 14.320 -10.742 1.00 4.42 H new ATOM 0 HG22 VAL A 58 -25.385 13.808 -12.146 1.00 4.42 H new ATOM 0 HG23 VAL A 58 -24.835 15.166 -11.136 1.00 4.42 H new ATOM 986 N GLN A 59 -26.656 18.274 -13.978 1.00 62.35 N ATOM 987 CA GLN A 59 -27.424 19.263 -14.725 1.00 71.32 C ATOM 988 C GLN A 59 -26.756 19.577 -16.060 1.00 21.14 C ATOM 989 O GLN A 59 -27.429 19.823 -17.061 1.00 11.33 O ATOM 990 CB GLN A 59 -27.579 20.544 -13.905 1.00 14.42 C ATOM 991 CG GLN A 59 -28.648 21.484 -14.440 1.00 33.41 C ATOM 992 CD GLN A 59 -28.283 22.944 -14.264 1.00 11.33 C ATOM 993 OE1 GLN A 59 -27.802 23.353 -13.206 1.00 61.44 O ATOM 994 NE2 GLN A 59 -28.510 23.741 -15.302 1.00 31.15 N ATOM 0 H GLN A 59 -26.341 18.589 -13.060 1.00 62.35 H new ATOM 0 HA GLN A 59 -28.411 18.845 -14.923 1.00 71.32 H new ATOM 0 HB2 GLN A 59 -27.822 20.279 -12.876 1.00 14.42 H new ATOM 0 HB3 GLN A 59 -26.624 21.069 -13.882 1.00 14.42 H new ATOM 0 HG2 GLN A 59 -28.810 21.279 -15.498 1.00 33.41 H new ATOM 0 HG3 GLN A 59 -29.590 21.285 -13.929 1.00 33.41 H new ATOM 0 HE21 GLN A 59 -28.910 23.360 -16.160 1.00 31.15 H new ATOM 0 HE22 GLN A 59 -28.284 24.734 -15.242 1.00 31.15 H new ATOM 1003 N LYS A 60 -25.427 19.567 -16.067 1.00 73.01 N ATOM 1004 CA LYS A 60 -24.666 19.850 -17.278 1.00 74.23 C ATOM 1005 C LYS A 60 -24.776 18.697 -18.272 1.00 15.54 C ATOM 1006 O LYS A 60 -24.806 18.910 -19.484 1.00 0.41 O ATOM 1007 CB LYS A 60 -23.197 20.102 -16.935 1.00 4.33 C ATOM 1008 CG LYS A 60 -22.408 20.738 -18.066 1.00 61.04 C ATOM 1009 CD LYS A 60 -21.945 19.700 -19.075 1.00 52.13 C ATOM 1010 CE LYS A 60 -20.514 19.956 -19.521 1.00 63.22 C ATOM 1011 NZ LYS A 60 -19.920 18.765 -20.190 1.00 21.25 N ATOM 0 H LYS A 60 -24.855 19.366 -15.247 1.00 73.01 H new ATOM 0 HA LYS A 60 -25.084 20.745 -17.738 1.00 74.23 H new ATOM 0 HB2 LYS A 60 -23.143 20.747 -16.058 1.00 4.33 H new ATOM 0 HB3 LYS A 60 -22.729 19.156 -16.664 1.00 4.33 H new ATOM 0 HG2 LYS A 60 -23.025 21.484 -18.567 1.00 61.04 H new ATOM 0 HG3 LYS A 60 -21.543 21.262 -17.658 1.00 61.04 H new ATOM 0 HD2 LYS A 60 -22.018 18.705 -18.635 1.00 52.13 H new ATOM 0 HD3 LYS A 60 -22.605 19.714 -19.942 1.00 52.13 H new ATOM 0 HE2 LYS A 60 -20.493 20.805 -20.205 1.00 63.22 H new ATOM 0 HE3 LYS A 60 -19.907 20.228 -18.657 1.00 63.22 H new ATOM 0 HZ1 LYS A 60 -18.944 18.980 -20.479 1.00 21.25 H new ATOM 0 HZ2 LYS A 60 -19.917 17.962 -19.530 1.00 21.25 H new ATOM 0 HZ3 LYS A 60 -20.484 18.521 -21.029 1.00 21.25 H new ATOM 1025 N PHE A 61 -24.838 17.477 -17.750 1.00 74.31 N ATOM 1026 CA PHE A 61 -24.946 16.291 -18.592 1.00 21.55 C ATOM 1027 C PHE A 61 -26.362 16.140 -19.140 1.00 63.53 C ATOM 1028 O PHE A 61 -26.620 15.297 -19.998 1.00 71.34 O ATOM 1029 CB PHE A 61 -24.558 15.040 -17.799 1.00 41.42 C ATOM 1030 CG PHE A 61 -23.182 14.531 -18.120 1.00 30.51 C ATOM 1031 CD1 PHE A 61 -22.058 15.255 -17.757 1.00 13.31 C ATOM 1032 CD2 PHE A 61 -23.012 13.326 -18.784 1.00 13.33 C ATOM 1033 CE1 PHE A 61 -20.791 14.789 -18.052 1.00 32.35 C ATOM 1034 CE2 PHE A 61 -21.748 12.854 -19.081 1.00 5.33 C ATOM 1035 CZ PHE A 61 -20.636 13.586 -18.713 1.00 45.21 C ATOM 0 H PHE A 61 -24.815 17.283 -16.749 1.00 74.31 H new ATOM 0 HA PHE A 61 -24.261 16.408 -19.432 1.00 21.55 H new ATOM 0 HB2 PHE A 61 -24.615 15.262 -16.733 1.00 41.42 H new ATOM 0 HB3 PHE A 61 -25.284 14.252 -18.000 1.00 41.42 H new ATOM 0 HD1 PHE A 61 -22.173 16.195 -17.237 1.00 13.31 H new ATOM 0 HD2 PHE A 61 -23.878 12.749 -19.073 1.00 13.33 H new ATOM 0 HE1 PHE A 61 -19.923 15.365 -17.766 1.00 32.35 H new ATOM 0 HE2 PHE A 61 -21.630 11.914 -19.600 1.00 5.33 H new ATOM 0 HZ PHE A 61 -19.647 13.218 -18.942 1.00 45.21 H new ATOM 1045 N GLY A 62 -27.276 16.963 -18.637 1.00 52.42 N ATOM 1046 CA GLY A 62 -28.655 16.906 -19.087 1.00 64.44 C ATOM 1047 C GLY A 62 -29.549 16.153 -18.122 1.00 64.32 C ATOM 1048 O GLY A 62 -30.622 15.684 -18.497 1.00 35.21 O ATOM 0 H GLY A 62 -27.087 17.669 -17.925 1.00 52.42 H new ATOM 0 HA2 GLY A 62 -29.035 17.920 -19.214 1.00 64.44 H new ATOM 0 HA3 GLY A 62 -28.695 16.426 -20.065 1.00 64.44 H new ATOM 1052 N GLY A 63 -29.104 16.035 -16.875 1.00 2.03 N ATOM 1053 CA GLY A 63 -29.883 15.331 -15.873 1.00 3.02 C ATOM 1054 C GLY A 63 -29.561 13.851 -15.823 1.00 61.41 C ATOM 1055 O GLY A 63 -29.077 13.281 -16.801 1.00 32.44 O ATOM 0 H GLY A 63 -28.218 16.414 -16.541 1.00 2.03 H new ATOM 0 HA2 GLY A 63 -29.696 15.774 -14.895 1.00 3.02 H new ATOM 0 HA3 GLY A 63 -30.944 15.462 -16.084 1.00 3.02 H new ATOM 1059 N ALA A 64 -29.828 13.227 -14.681 1.00 33.54 N ATOM 1060 CA ALA A 64 -29.564 11.804 -14.507 1.00 74.55 C ATOM 1061 C ALA A 64 -30.175 10.990 -15.644 1.00 23.23 C ATOM 1062 O ALA A 64 -29.637 9.954 -16.036 1.00 53.14 O ATOM 1063 CB ALA A 64 -30.102 11.326 -13.166 1.00 44.43 C ATOM 0 H ALA A 64 -30.227 13.685 -13.862 1.00 33.54 H new ATOM 0 HA ALA A 64 -28.484 11.655 -14.526 1.00 74.55 H new ATOM 0 HB1 ALA A 64 -29.897 10.262 -13.050 1.00 44.43 H new ATOM 0 HB2 ALA A 64 -29.616 11.878 -12.361 1.00 44.43 H new ATOM 0 HB3 ALA A 64 -31.178 11.495 -13.124 1.00 44.43 H new ATOM 1069 N ASP A 65 -31.300 11.464 -16.167 1.00 3.41 N ATOM 1070 CA ASP A 65 -31.983 10.781 -17.259 1.00 31.32 C ATOM 1071 C ASP A 65 -31.106 10.737 -18.506 1.00 51.12 C ATOM 1072 O ASP A 65 -31.106 9.750 -19.241 1.00 41.24 O ATOM 1073 CB ASP A 65 -33.307 11.477 -17.575 1.00 55.14 C ATOM 1074 CG ASP A 65 -34.403 11.111 -16.594 1.00 74.51 C ATOM 1075 OD1 ASP A 65 -34.115 11.042 -15.381 1.00 13.33 O ATOM 1076 OD2 ASP A 65 -35.549 10.893 -17.039 1.00 74.24 O ATOM 0 H ASP A 65 -31.759 12.319 -15.852 1.00 3.41 H new ATOM 0 HA ASP A 65 -32.186 9.757 -16.944 1.00 31.32 H new ATOM 0 HB2 ASP A 65 -33.158 12.557 -17.563 1.00 55.14 H new ATOM 0 HB3 ASP A 65 -33.622 11.210 -18.584 1.00 55.14 H new ATOM 1081 N GLN A 66 -30.362 11.814 -18.738 1.00 23.40 N ATOM 1082 CA GLN A 66 -29.482 11.898 -19.898 1.00 2.14 C ATOM 1083 C GLN A 66 -28.315 10.924 -19.768 1.00 13.30 C ATOM 1084 O GLN A 66 -27.877 10.329 -20.753 1.00 12.52 O ATOM 1085 CB GLN A 66 -28.955 13.325 -20.062 1.00 21.34 C ATOM 1086 CG GLN A 66 -28.478 13.639 -21.470 1.00 65.12 C ATOM 1087 CD GLN A 66 -29.060 14.930 -22.009 1.00 51.44 C ATOM 1088 OE1 GLN A 66 -30.269 15.154 -21.944 1.00 52.44 O ATOM 1089 NE2 GLN A 66 -28.201 15.789 -22.546 1.00 40.11 N ATOM 0 H GLN A 66 -30.351 12.639 -18.139 1.00 23.40 H new ATOM 0 HA GLN A 66 -30.060 11.628 -20.782 1.00 2.14 H new ATOM 0 HB2 GLN A 66 -29.742 14.028 -19.789 1.00 21.34 H new ATOM 0 HB3 GLN A 66 -28.132 13.482 -19.365 1.00 21.34 H new ATOM 0 HG2 GLN A 66 -27.390 13.706 -21.474 1.00 65.12 H new ATOM 0 HG3 GLN A 66 -28.750 12.818 -22.133 1.00 65.12 H new ATOM 0 HE21 GLN A 66 -27.207 15.563 -22.579 1.00 40.11 H new ATOM 0 HE22 GLN A 66 -28.535 16.675 -22.925 1.00 40.11 H new ATOM 1098 N VAL A 67 -27.816 10.766 -18.546 1.00 44.33 N ATOM 1099 CA VAL A 67 -26.700 9.864 -18.287 1.00 60.05 C ATOM 1100 C VAL A 67 -27.105 8.411 -18.509 1.00 54.11 C ATOM 1101 O VAL A 67 -26.321 7.605 -19.010 1.00 25.35 O ATOM 1102 CB VAL A 67 -26.170 10.024 -16.850 1.00 55.10 C ATOM 1103 CG1 VAL A 67 -24.894 9.219 -16.658 1.00 51.31 C ATOM 1104 CG2 VAL A 67 -25.938 11.493 -16.529 1.00 22.20 C ATOM 0 H VAL A 67 -28.167 11.251 -17.720 1.00 44.33 H new ATOM 0 HA VAL A 67 -25.909 10.129 -18.989 1.00 60.05 H new ATOM 0 HB VAL A 67 -26.920 9.639 -16.159 1.00 55.10 H new ATOM 0 HG11 VAL A 67 -24.535 9.345 -15.637 1.00 51.31 H new ATOM 0 HG12 VAL A 67 -25.098 8.164 -16.844 1.00 51.31 H new ATOM 0 HG13 VAL A 67 -24.134 9.570 -17.356 1.00 51.31 H new ATOM 0 HG21 VAL A 67 -25.564 11.588 -15.510 1.00 22.20 H new ATOM 0 HG22 VAL A 67 -25.207 11.906 -17.224 1.00 22.20 H new ATOM 0 HG23 VAL A 67 -26.877 12.039 -16.623 1.00 22.20 H new ATOM 1114 N THR A 68 -28.338 8.082 -18.134 1.00 4.33 N ATOM 1115 CA THR A 68 -28.848 6.726 -18.291 1.00 12.35 C ATOM 1116 C THR A 68 -29.391 6.503 -19.697 1.00 72.42 C ATOM 1117 O THR A 68 -29.404 5.377 -20.196 1.00 41.11 O ATOM 1118 CB THR A 68 -29.960 6.423 -17.269 1.00 14.11 C ATOM 1119 OG1 THR A 68 -30.407 5.071 -17.418 1.00 22.34 O ATOM 1120 CG2 THR A 68 -31.135 7.373 -17.450 1.00 22.13 C ATOM 0 H THR A 68 -29.001 8.737 -17.719 1.00 4.33 H new ATOM 0 HA THR A 68 -28.011 6.050 -18.117 1.00 12.35 H new ATOM 0 HB THR A 68 -29.551 6.562 -16.268 1.00 14.11 H new ATOM 0 HG1 THR A 68 -31.113 4.886 -16.764 1.00 22.34 H new ATOM 0 HG21 THR A 68 -31.908 7.140 -16.717 1.00 22.13 H new ATOM 0 HG22 THR A 68 -30.798 8.400 -17.308 1.00 22.13 H new ATOM 0 HG23 THR A 68 -31.542 7.261 -18.455 1.00 22.13 H new ATOM 1128 N ARG A 69 -29.838 7.581 -20.332 1.00 75.13 N ATOM 1129 CA ARG A 69 -30.383 7.501 -21.682 1.00 53.53 C ATOM 1130 C ARG A 69 -29.369 6.886 -22.642 1.00 54.45 C ATOM 1131 O ARG A 69 -29.713 6.038 -23.466 1.00 62.23 O ATOM 1132 CB ARG A 69 -30.789 8.892 -22.174 1.00 50.10 C ATOM 1133 CG ARG A 69 -31.031 8.961 -23.673 1.00 13.30 C ATOM 1134 CD ARG A 69 -32.020 7.899 -24.127 1.00 70.11 C ATOM 1135 NE ARG A 69 -33.093 8.462 -24.942 1.00 41.42 N ATOM 1136 CZ ARG A 69 -34.021 7.728 -25.545 1.00 33.23 C ATOM 1137 NH1 ARG A 69 -34.008 6.408 -25.424 1.00 35.43 N ATOM 1138 NH2 ARG A 69 -34.966 8.314 -26.270 1.00 24.04 N ATOM 0 H ARG A 69 -29.834 8.520 -19.934 1.00 75.13 H new ATOM 0 HA ARG A 69 -31.265 6.861 -21.654 1.00 53.53 H new ATOM 0 HB2 ARG A 69 -31.695 9.202 -21.654 1.00 50.10 H new ATOM 0 HB3 ARG A 69 -30.009 9.605 -21.907 1.00 50.10 H new ATOM 0 HG2 ARG A 69 -31.410 9.949 -23.936 1.00 13.30 H new ATOM 0 HG3 ARG A 69 -30.087 8.830 -24.202 1.00 13.30 H new ATOM 0 HD2 ARG A 69 -31.494 7.135 -24.699 1.00 70.11 H new ATOM 0 HD3 ARG A 69 -32.448 7.406 -23.254 1.00 70.11 H new ATOM 0 HE ARG A 69 -33.132 9.475 -25.054 1.00 41.42 H new ATOM 0 HH11 ARG A 69 -33.284 5.954 -24.867 1.00 35.43 H new ATOM 0 HH12 ARG A 69 -34.722 5.846 -25.888 1.00 35.43 H new ATOM 0 HH21 ARG A 69 -34.980 9.330 -26.365 1.00 24.04 H new ATOM 0 HH22 ARG A 69 -35.678 7.749 -26.733 1.00 24.04 H new ATOM 1152 N THR A 70 -28.118 7.321 -22.531 1.00 63.43 N ATOM 1153 CA THR A 70 -27.054 6.815 -23.390 1.00 32.32 C ATOM 1154 C THR A 70 -26.235 5.744 -22.678 1.00 13.11 C ATOM 1155 O THR A 70 -25.271 5.218 -23.232 1.00 23.30 O ATOM 1156 CB THR A 70 -26.113 7.946 -23.845 1.00 15.41 C ATOM 1157 OG1 THR A 70 -25.008 7.401 -24.573 1.00 42.14 O ATOM 1158 CG2 THR A 70 -25.600 8.737 -22.651 1.00 33.33 C ATOM 0 H THR A 70 -27.816 8.023 -21.855 1.00 63.43 H new ATOM 0 HA THR A 70 -27.536 6.379 -24.265 1.00 32.32 H new ATOM 0 HB THR A 70 -26.676 8.619 -24.491 1.00 15.41 H new ATOM 0 HG1 THR A 70 -24.814 6.498 -24.245 1.00 42.14 H new ATOM 0 HG21 THR A 70 -24.937 9.530 -22.998 1.00 33.33 H new ATOM 0 HG22 THR A 70 -26.442 9.176 -22.116 1.00 33.33 H new ATOM 0 HG23 THR A 70 -25.052 8.073 -21.983 1.00 33.33 H new ATOM 1166 N GLN A 71 -26.627 5.426 -21.448 1.00 43.51 N ATOM 1167 CA GLN A 71 -25.927 4.418 -20.661 1.00 75.30 C ATOM 1168 C GLN A 71 -24.465 4.800 -20.462 1.00 4.12 C ATOM 1169 O GLN A 71 -23.568 3.980 -20.656 1.00 3.13 O ATOM 1170 CB GLN A 71 -26.021 3.052 -21.344 1.00 15.20 C ATOM 1171 CG GLN A 71 -25.703 1.887 -20.421 1.00 1.00 C ATOM 1172 CD GLN A 71 -25.101 0.707 -21.158 1.00 33.44 C ATOM 1173 OE1 GLN A 71 -25.678 0.203 -22.122 1.00 23.51 O ATOM 1174 NE2 GLN A 71 -23.935 0.259 -20.706 1.00 74.45 N ATOM 0 H GLN A 71 -27.425 5.852 -20.976 1.00 43.51 H new ATOM 0 HA GLN A 71 -26.404 4.362 -19.683 1.00 75.30 H new ATOM 0 HB2 GLN A 71 -27.027 2.924 -21.744 1.00 15.20 H new ATOM 0 HB3 GLN A 71 -25.336 3.031 -22.191 1.00 15.20 H new ATOM 0 HG2 GLN A 71 -25.010 2.219 -19.648 1.00 1.00 H new ATOM 0 HG3 GLN A 71 -26.615 1.569 -19.916 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -23.493 0.707 -19.904 1.00 74.45 H new ATOM 0 HE22 GLN A 71 -23.482 -0.533 -21.161 1.00 74.45 H new ATOM 1183 N GLN A 72 -24.232 6.050 -20.074 1.00 54.13 N ATOM 1184 CA GLN A 72 -22.878 6.541 -19.850 1.00 63.32 C ATOM 1185 C GLN A 72 -22.576 6.645 -18.359 1.00 32.11 C ATOM 1186 O GLN A 72 -21.477 7.033 -17.964 1.00 23.22 O ATOM 1187 CB GLN A 72 -22.690 7.904 -20.517 1.00 44.42 C ATOM 1188 CG GLN A 72 -22.158 7.818 -21.939 1.00 2.23 C ATOM 1189 CD GLN A 72 -20.731 8.315 -22.059 1.00 25.11 C ATOM 1190 OE1 GLN A 72 -20.455 9.500 -21.869 1.00 54.12 O ATOM 1191 NE2 GLN A 72 -19.813 7.409 -22.375 1.00 62.14 N ATOM 0 H GLN A 72 -24.964 6.741 -19.908 1.00 54.13 H new ATOM 0 HA GLN A 72 -22.183 5.829 -20.294 1.00 63.32 H new ATOM 0 HB2 GLN A 72 -23.645 8.429 -20.526 1.00 44.42 H new ATOM 0 HB3 GLN A 72 -22.004 8.501 -19.917 1.00 44.42 H new ATOM 0 HG2 GLN A 72 -22.208 6.784 -22.280 1.00 2.23 H new ATOM 0 HG3 GLN A 72 -22.799 8.403 -22.599 1.00 2.23 H new ATOM 0 HE21 GLN A 72 -20.085 6.437 -22.524 1.00 62.14 H new ATOM 0 HE22 GLN A 72 -18.835 7.685 -22.469 1.00 62.14 H new ATOM 1200 N TRP A 73 -23.559 6.297 -17.536 1.00 61.12 N ATOM 1201 CA TRP A 73 -23.398 6.352 -16.088 1.00 34.14 C ATOM 1202 C TRP A 73 -22.229 5.483 -15.636 1.00 54.51 C ATOM 1203 O TRP A 73 -21.539 5.809 -14.670 1.00 40.14 O ATOM 1204 CB TRP A 73 -24.684 5.899 -15.394 1.00 11.02 C ATOM 1205 CG TRP A 73 -25.154 4.547 -15.838 1.00 55.24 C ATOM 1206 CD1 TRP A 73 -25.985 4.273 -16.887 1.00 71.51 C ATOM 1207 CD2 TRP A 73 -24.823 3.287 -15.246 1.00 30.23 C ATOM 1208 NE1 TRP A 73 -26.190 2.917 -16.982 1.00 40.10 N ATOM 1209 CE2 TRP A 73 -25.487 2.290 -15.987 1.00 54.22 C ATOM 1210 CE3 TRP A 73 -24.028 2.903 -14.162 1.00 73.24 C ATOM 1211 CZ2 TRP A 73 -25.381 0.937 -15.677 1.00 42.05 C ATOM 1212 CZ3 TRP A 73 -23.924 1.559 -13.856 1.00 43.41 C ATOM 1213 CH2 TRP A 73 -24.596 0.590 -14.612 1.00 31.54 C ATOM 0 H TRP A 73 -24.475 5.974 -17.847 1.00 61.12 H new ATOM 0 HA TRP A 73 -23.187 7.385 -15.810 1.00 34.14 H new ATOM 0 HB2 TRP A 73 -24.521 5.883 -14.316 1.00 11.02 H new ATOM 0 HB3 TRP A 73 -25.469 6.630 -15.587 1.00 11.02 H new ATOM 0 HD1 TRP A 73 -26.417 5.013 -17.545 1.00 71.51 H new ATOM 0 HE1 TRP A 73 -26.771 2.453 -17.680 1.00 40.10 H new ATOM 0 HE3 TRP A 73 -23.505 3.643 -13.574 1.00 73.24 H new ATOM 0 HZ2 TRP A 73 -25.900 0.188 -16.257 1.00 42.05 H new ATOM 0 HZ3 TRP A 73 -23.314 1.251 -13.020 1.00 43.41 H new ATOM 0 HH2 TRP A 73 -24.492 -0.452 -14.349 1.00 31.54 H new ATOM 1224 N SER A 74 -22.013 4.377 -16.341 1.00 4.44 N ATOM 1225 CA SER A 74 -20.929 3.460 -16.009 1.00 45.22 C ATOM 1226 C SER A 74 -19.572 4.131 -16.202 1.00 23.32 C ATOM 1227 O SER A 74 -18.693 4.034 -15.346 1.00 3.31 O ATOM 1228 CB SER A 74 -21.015 2.201 -16.874 1.00 12.01 C ATOM 1229 OG SER A 74 -20.700 2.488 -18.225 1.00 71.24 O ATOM 0 H SER A 74 -22.574 4.095 -17.145 1.00 4.44 H new ATOM 0 HA SER A 74 -21.031 3.180 -14.961 1.00 45.22 H new ATOM 0 HB2 SER A 74 -20.330 1.445 -16.490 1.00 12.01 H new ATOM 0 HB3 SER A 74 -22.019 1.782 -16.813 1.00 12.01 H new ATOM 0 HG SER A 74 -20.760 1.667 -18.757 1.00 71.24 H new ATOM 1235 N MET A 75 -19.410 4.810 -17.332 1.00 44.04 N ATOM 1236 CA MET A 75 -18.161 5.498 -17.638 1.00 4.02 C ATOM 1237 C MET A 75 -18.002 6.745 -16.774 1.00 44.10 C ATOM 1238 O MET A 75 -16.922 7.014 -16.248 1.00 3.33 O ATOM 1239 CB MET A 75 -18.112 5.880 -19.119 1.00 35.44 C ATOM 1240 CG MET A 75 -16.703 5.947 -19.683 1.00 42.03 C ATOM 1241 SD MET A 75 -16.528 7.202 -20.966 1.00 4.44 S ATOM 1242 CE MET A 75 -14.912 6.793 -21.622 1.00 73.31 C ATOM 0 H MET A 75 -20.128 4.899 -18.051 1.00 44.04 H new ATOM 0 HA MET A 75 -17.338 4.818 -17.419 1.00 4.02 H new ATOM 0 HB2 MET A 75 -18.690 5.155 -19.692 1.00 35.44 H new ATOM 0 HB3 MET A 75 -18.594 6.848 -19.252 1.00 35.44 H new ATOM 0 HG2 MET A 75 -16.002 6.158 -18.875 1.00 42.03 H new ATOM 0 HG3 MET A 75 -16.433 4.974 -20.093 1.00 42.03 H new ATOM 0 HE1 MET A 75 -14.661 7.483 -22.427 1.00 73.31 H new ATOM 0 HE2 MET A 75 -14.167 6.873 -20.830 1.00 73.31 H new ATOM 0 HE3 MET A 75 -14.923 5.774 -22.008 1.00 73.31 H new ATOM 1252 N VAL A 76 -19.084 7.504 -16.632 1.00 70.44 N ATOM 1253 CA VAL A 76 -19.064 8.722 -15.832 1.00 34.13 C ATOM 1254 C VAL A 76 -18.786 8.411 -14.365 1.00 40.43 C ATOM 1255 O VAL A 76 -17.977 9.079 -13.722 1.00 23.32 O ATOM 1256 CB VAL A 76 -20.398 9.486 -15.939 1.00 63.41 C ATOM 1257 CG1 VAL A 76 -20.348 10.765 -15.119 1.00 2.44 C ATOM 1258 CG2 VAL A 76 -20.722 9.788 -17.394 1.00 73.13 C ATOM 0 H VAL A 76 -19.986 7.296 -17.061 1.00 70.44 H new ATOM 0 HA VAL A 76 -18.263 9.347 -16.227 1.00 34.13 H new ATOM 0 HB VAL A 76 -21.191 8.856 -15.536 1.00 63.41 H new ATOM 0 HG11 VAL A 76 -21.299 11.291 -15.207 1.00 2.44 H new ATOM 0 HG12 VAL A 76 -20.164 10.520 -14.073 1.00 2.44 H new ATOM 0 HG13 VAL A 76 -19.545 11.403 -15.488 1.00 2.44 H new ATOM 0 HG21 VAL A 76 -21.667 10.328 -17.452 1.00 73.13 H new ATOM 0 HG22 VAL A 76 -19.928 10.399 -17.824 1.00 73.13 H new ATOM 0 HG23 VAL A 76 -20.803 8.854 -17.950 1.00 73.13 H new ATOM 1268 N ALA A 77 -19.462 7.393 -13.843 1.00 50.31 N ATOM 1269 CA ALA A 77 -19.286 6.992 -12.453 1.00 3.11 C ATOM 1270 C ALA A 77 -17.819 6.708 -12.145 1.00 75.54 C ATOM 1271 O ALA A 77 -17.330 7.028 -11.063 1.00 31.03 O ATOM 1272 CB ALA A 77 -20.139 5.771 -12.144 1.00 25.42 C ATOM 0 H ALA A 77 -20.137 6.831 -14.362 1.00 50.31 H new ATOM 0 HA ALA A 77 -19.610 7.817 -11.819 1.00 3.11 H new ATOM 0 HB1 ALA A 77 -19.998 5.483 -11.102 1.00 25.42 H new ATOM 0 HB2 ALA A 77 -21.189 6.008 -12.316 1.00 25.42 H new ATOM 0 HB3 ALA A 77 -19.842 4.946 -12.792 1.00 25.42 H new ATOM 1278 N GLN A 78 -17.125 6.104 -13.104 1.00 61.33 N ATOM 1279 CA GLN A 78 -15.715 5.775 -12.934 1.00 24.00 C ATOM 1280 C GLN A 78 -14.875 7.039 -12.784 1.00 52.55 C ATOM 1281 O GLN A 78 -13.863 7.045 -12.084 1.00 64.22 O ATOM 1282 CB GLN A 78 -15.213 4.953 -14.123 1.00 54.50 C ATOM 1283 CG GLN A 78 -13.711 4.722 -14.112 1.00 71.24 C ATOM 1284 CD GLN A 78 -12.979 5.593 -15.114 1.00 72.13 C ATOM 1285 OE1 GLN A 78 -12.607 6.727 -14.813 1.00 10.31 O ATOM 1286 NE2 GLN A 78 -12.768 5.066 -16.315 1.00 33.23 N ATOM 0 H GLN A 78 -17.516 5.833 -14.006 1.00 61.33 H new ATOM 0 HA GLN A 78 -15.614 5.183 -12.024 1.00 24.00 H new ATOM 0 HB2 GLN A 78 -15.721 3.988 -14.127 1.00 54.50 H new ATOM 0 HB3 GLN A 78 -15.487 5.462 -15.047 1.00 54.50 H new ATOM 0 HG2 GLN A 78 -13.324 4.921 -13.113 1.00 71.24 H new ATOM 0 HG3 GLN A 78 -13.507 3.674 -14.330 1.00 71.24 H new ATOM 0 HE21 GLN A 78 -13.094 4.122 -16.522 1.00 33.23 H new ATOM 0 HE22 GLN A 78 -12.280 5.606 -17.030 1.00 33.23 H new ATOM 1295 N ARG A 79 -15.302 8.109 -13.447 1.00 55.23 N ATOM 1296 CA ARG A 79 -14.589 9.379 -13.389 1.00 50.32 C ATOM 1297 C ARG A 79 -14.475 9.873 -11.950 1.00 42.41 C ATOM 1298 O ARG A 79 -13.420 10.348 -11.527 1.00 24.30 O ATOM 1299 CB ARG A 79 -15.301 10.428 -14.245 1.00 14.41 C ATOM 1300 CG ARG A 79 -14.400 11.086 -15.277 1.00 55.41 C ATOM 1301 CD ARG A 79 -14.479 10.376 -16.619 1.00 74.13 C ATOM 1302 NE ARG A 79 -14.581 11.317 -17.732 1.00 24.14 N ATOM 1303 CZ ARG A 79 -15.656 12.059 -17.971 1.00 1.12 C ATOM 1304 NH1 ARG A 79 -16.716 11.970 -17.180 1.00 11.54 N ATOM 1305 NH2 ARG A 79 -15.672 12.893 -19.003 1.00 60.31 N ATOM 0 H ARG A 79 -16.138 8.121 -14.031 1.00 55.23 H new ATOM 0 HA ARG A 79 -13.584 9.221 -13.782 1.00 50.32 H new ATOM 0 HB2 ARG A 79 -16.141 9.958 -14.756 1.00 14.41 H new ATOM 0 HB3 ARG A 79 -15.714 11.197 -13.593 1.00 14.41 H new ATOM 0 HG2 ARG A 79 -14.687 12.130 -15.399 1.00 55.41 H new ATOM 0 HG3 ARG A 79 -13.370 11.078 -14.920 1.00 55.41 H new ATOM 0 HD2 ARG A 79 -13.595 9.752 -16.752 1.00 74.13 H new ATOM 0 HD3 ARG A 79 -15.342 9.711 -16.627 1.00 74.13 H new ATOM 0 HE ARG A 79 -13.783 11.409 -18.360 1.00 24.14 H new ATOM 0 HH11 ARG A 79 -16.707 11.330 -16.385 1.00 11.54 H new ATOM 0 HH12 ARG A 79 -17.540 12.541 -17.366 1.00 11.54 H new ATOM 0 HH21 ARG A 79 -14.858 12.965 -19.614 1.00 60.31 H new ATOM 0 HH22 ARG A 79 -16.498 13.462 -19.186 1.00 60.31 H new ATOM 1319 N LEU A 80 -15.567 9.760 -11.203 1.00 31.23 N ATOM 1320 CA LEU A 80 -15.590 10.195 -9.811 1.00 14.24 C ATOM 1321 C LEU A 80 -15.365 9.017 -8.868 1.00 14.52 C ATOM 1322 O LEU A 80 -15.276 9.192 -7.653 1.00 32.22 O ATOM 1323 CB LEU A 80 -16.924 10.873 -9.490 1.00 21.43 C ATOM 1324 CG LEU A 80 -18.177 10.172 -10.018 1.00 5.33 C ATOM 1325 CD1 LEU A 80 -19.342 10.369 -9.060 1.00 64.02 C ATOM 1326 CD2 LEU A 80 -18.531 10.688 -11.405 1.00 30.31 C ATOM 0 H LEU A 80 -16.448 9.371 -11.538 1.00 31.23 H new ATOM 0 HA LEU A 80 -14.781 10.911 -9.667 1.00 14.24 H new ATOM 0 HB2 LEU A 80 -17.012 10.964 -8.407 1.00 21.43 H new ATOM 0 HB3 LEU A 80 -16.901 11.885 -9.894 1.00 21.43 H new ATOM 0 HG LEU A 80 -17.970 9.104 -10.091 1.00 5.33 H new ATOM 0 HD11 LEU A 80 -20.225 9.864 -9.452 1.00 64.02 H new ATOM 0 HD12 LEU A 80 -19.087 9.951 -8.086 1.00 64.02 H new ATOM 0 HD13 LEU A 80 -19.550 11.434 -8.955 1.00 64.02 H new ATOM 0 HD21 LEU A 80 -19.425 10.179 -11.766 1.00 30.31 H new ATOM 0 HD22 LEU A 80 -18.719 11.761 -11.357 1.00 30.31 H new ATOM 0 HD23 LEU A 80 -17.703 10.495 -12.087 1.00 30.31 H new ATOM 1338 N GLN A 81 -15.273 7.820 -9.437 1.00 22.12 N ATOM 1339 CA GLN A 81 -15.056 6.614 -8.646 1.00 75.25 C ATOM 1340 C GLN A 81 -16.244 6.344 -7.729 1.00 13.14 C ATOM 1341 O GLN A 81 -16.075 6.104 -6.533 1.00 22.41 O ATOM 1342 CB GLN A 81 -13.777 6.744 -7.819 1.00 25.30 C ATOM 1343 CG GLN A 81 -13.019 5.435 -7.661 1.00 44.45 C ATOM 1344 CD GLN A 81 -12.311 5.328 -6.325 1.00 41.11 C ATOM 1345 OE1 GLN A 81 -11.091 5.473 -6.242 1.00 41.02 O ATOM 1346 NE2 GLN A 81 -13.075 5.073 -5.269 1.00 42.12 N ATOM 0 H GLN A 81 -15.345 7.659 -10.442 1.00 22.12 H new ATOM 0 HA GLN A 81 -14.952 5.774 -9.332 1.00 75.25 H new ATOM 0 HB2 GLN A 81 -13.123 7.478 -8.289 1.00 25.30 H new ATOM 0 HB3 GLN A 81 -14.030 7.129 -6.831 1.00 25.30 H new ATOM 0 HG2 GLN A 81 -13.714 4.602 -7.767 1.00 44.45 H new ATOM 0 HG3 GLN A 81 -12.287 5.344 -8.464 1.00 44.45 H new ATOM 0 HE21 GLN A 81 -14.082 4.960 -5.384 1.00 42.12 H new ATOM 0 HE22 GLN A 81 -12.655 4.990 -4.343 1.00 42.12 H new ATOM 1355 N ILE A 82 -17.445 6.386 -8.296 1.00 12.44 N ATOM 1356 CA ILE A 82 -18.661 6.146 -7.528 1.00 23.21 C ATOM 1357 C ILE A 82 -19.232 4.763 -7.822 1.00 72.04 C ATOM 1358 O ILE A 82 -19.953 4.191 -7.005 1.00 11.01 O ATOM 1359 CB ILE A 82 -19.735 7.208 -7.828 1.00 33.53 C ATOM 1360 CG1 ILE A 82 -20.965 6.983 -6.946 1.00 33.22 C ATOM 1361 CG2 ILE A 82 -20.118 7.172 -9.300 1.00 15.44 C ATOM 1362 CD1 ILE A 82 -21.551 8.261 -6.389 1.00 55.42 C ATOM 0 H ILE A 82 -17.602 6.584 -9.284 1.00 12.44 H new ATOM 0 HA ILE A 82 -18.387 6.207 -6.475 1.00 23.21 H new ATOM 0 HB ILE A 82 -19.325 8.193 -7.603 1.00 33.53 H new ATOM 0 HG12 ILE A 82 -21.729 6.466 -7.527 1.00 33.22 H new ATOM 0 HG13 ILE A 82 -20.694 6.327 -6.119 1.00 33.22 H new ATOM 0 HG21 ILE A 82 -20.878 7.928 -9.497 1.00 15.44 H new ATOM 0 HG22 ILE A 82 -19.238 7.375 -9.910 1.00 15.44 H new ATOM 0 HG23 ILE A 82 -20.513 6.187 -9.549 1.00 15.44 H new ATOM 0 HD11 ILE A 82 -22.419 8.025 -5.774 1.00 55.42 H new ATOM 0 HD12 ILE A 82 -20.803 8.770 -5.781 1.00 55.42 H new ATOM 0 HD13 ILE A 82 -21.854 8.911 -7.210 1.00 55.42 H new ATOM 1374 N SER A 83 -18.904 4.230 -8.995 1.00 42.41 N ATOM 1375 CA SER A 83 -19.386 2.915 -9.399 1.00 21.20 C ATOM 1376 C SER A 83 -18.360 2.206 -10.278 1.00 44.51 C ATOM 1377 O SER A 83 -18.616 1.929 -11.450 1.00 4.11 O ATOM 1378 CB SER A 83 -20.714 3.043 -10.148 1.00 21.33 C ATOM 1379 OG SER A 83 -21.482 1.857 -10.030 1.00 44.35 O ATOM 0 H SER A 83 -18.306 4.689 -9.682 1.00 42.41 H new ATOM 0 HA SER A 83 -19.540 2.320 -8.499 1.00 21.20 H new ATOM 0 HB2 SER A 83 -21.279 3.887 -9.752 1.00 21.33 H new ATOM 0 HB3 SER A 83 -20.523 3.253 -11.200 1.00 21.33 H new ATOM 0 HG SER A 83 -22.326 1.964 -10.516 1.00 44.35 H new ATOM 1385 N ASP A 84 -17.197 1.917 -9.704 1.00 34.15 N ATOM 1386 CA ASP A 84 -16.131 1.240 -10.433 1.00 75.00 C ATOM 1387 C ASP A 84 -16.232 -0.273 -10.263 1.00 12.42 C ATOM 1388 O ASP A 84 -15.302 -0.916 -9.776 1.00 71.01 O ATOM 1389 CB ASP A 84 -14.765 1.730 -9.952 1.00 64.13 C ATOM 1390 CG ASP A 84 -14.307 2.977 -10.683 1.00 65.53 C ATOM 1391 OD1 ASP A 84 -14.632 3.115 -11.881 1.00 23.21 O ATOM 1392 OD2 ASP A 84 -13.622 3.814 -10.058 1.00 71.41 O ATOM 0 H ASP A 84 -16.969 2.141 -8.736 1.00 34.15 H new ATOM 0 HA ASP A 84 -16.241 1.476 -11.491 1.00 75.00 H new ATOM 0 HB2 ASP A 84 -14.812 1.936 -8.883 1.00 64.13 H new ATOM 0 HB3 ASP A 84 -14.028 0.939 -10.092 1.00 64.13 H new ATOM 1397 N TYR A 85 -17.367 -0.834 -10.666 1.00 3.32 N ATOM 1398 CA TYR A 85 -17.591 -2.270 -10.555 1.00 24.24 C ATOM 1399 C TYR A 85 -17.743 -2.687 -9.095 1.00 13.51 C ATOM 1400 O TYR A 85 -18.394 -2.000 -8.308 1.00 2.33 O ATOM 1401 CB TYR A 85 -16.435 -3.039 -11.198 1.00 0.14 C ATOM 1402 CG TYR A 85 -15.963 -2.441 -12.504 1.00 22.42 C ATOM 1403 CD1 TYR A 85 -16.847 -2.234 -13.555 1.00 53.31 C ATOM 1404 CD2 TYR A 85 -14.632 -2.086 -12.687 1.00 54.42 C ATOM 1405 CE1 TYR A 85 -16.420 -1.689 -14.751 1.00 15.23 C ATOM 1406 CE2 TYR A 85 -14.197 -1.539 -13.879 1.00 10.34 C ATOM 1407 CZ TYR A 85 -15.095 -1.342 -14.907 1.00 64.44 C ATOM 1408 OH TYR A 85 -14.665 -0.799 -16.096 1.00 65.23 O ATOM 0 H TYR A 85 -18.146 -0.316 -11.072 1.00 3.32 H new ATOM 0 HA TYR A 85 -18.515 -2.509 -11.081 1.00 24.24 H new ATOM 0 HB2 TYR A 85 -15.599 -3.072 -10.500 1.00 0.14 H new ATOM 0 HB3 TYR A 85 -16.747 -4.069 -11.371 1.00 0.14 H new ATOM 0 HD1 TYR A 85 -17.886 -2.504 -13.436 1.00 53.31 H new ATOM 0 HD2 TYR A 85 -13.926 -2.240 -11.884 1.00 54.42 H new ATOM 0 HE1 TYR A 85 -17.120 -1.536 -15.559 1.00 15.23 H new ATOM 0 HE2 TYR A 85 -13.159 -1.267 -14.005 1.00 10.34 H new ATOM 0 HH TYR A 85 -13.705 -0.610 -16.041 1.00 65.23 H new ATOM 1418 N GLN A 86 -17.138 -3.816 -8.742 1.00 41.01 N ATOM 1419 CA GLN A 86 -17.206 -4.325 -7.377 1.00 52.42 C ATOM 1420 C GLN A 86 -16.830 -3.240 -6.373 1.00 23.42 C ATOM 1421 O GLN A 86 -17.368 -3.193 -5.267 1.00 42.41 O ATOM 1422 CB GLN A 86 -16.281 -5.532 -7.213 1.00 40.45 C ATOM 1423 CG GLN A 86 -14.821 -5.222 -7.501 1.00 24.24 C ATOM 1424 CD GLN A 86 -13.928 -6.440 -7.363 1.00 51.05 C ATOM 1425 OE1 GLN A 86 -13.836 -7.262 -8.275 1.00 73.52 O ATOM 1426 NE2 GLN A 86 -13.264 -6.562 -6.220 1.00 41.21 N ATOM 0 H GLN A 86 -16.595 -4.396 -9.382 1.00 41.01 H new ATOM 0 HA GLN A 86 -18.233 -4.635 -7.182 1.00 52.42 H new ATOM 0 HB2 GLN A 86 -16.369 -5.912 -6.195 1.00 40.45 H new ATOM 0 HB3 GLN A 86 -16.613 -6.328 -7.880 1.00 40.45 H new ATOM 0 HG2 GLN A 86 -14.731 -4.822 -8.511 1.00 24.24 H new ATOM 0 HG3 GLN A 86 -14.477 -4.445 -6.819 1.00 24.24 H new ATOM 0 HE21 GLN A 86 -13.370 -5.857 -5.491 1.00 41.21 H new ATOM 0 HE22 GLN A 86 -12.648 -7.361 -6.071 1.00 41.21 H new ATOM 1435 N GLN A 87 -15.902 -2.373 -6.766 1.00 15.13 N ATOM 1436 CA GLN A 87 -15.454 -1.290 -5.898 1.00 62.13 C ATOM 1437 C GLN A 87 -16.628 -0.423 -5.459 1.00 15.45 C ATOM 1438 O GLN A 87 -16.597 0.189 -4.390 1.00 23.45 O ATOM 1439 CB GLN A 87 -14.411 -0.432 -6.617 1.00 13.33 C ATOM 1440 CG GLN A 87 -13.031 -1.067 -6.668 1.00 51.22 C ATOM 1441 CD GLN A 87 -12.173 -0.508 -7.786 1.00 2.23 C ATOM 1442 OE1 GLN A 87 -12.223 0.686 -8.085 1.00 24.33 O ATOM 1443 NE2 GLN A 87 -11.379 -1.369 -8.410 1.00 65.52 N ATOM 0 H GLN A 87 -15.446 -2.399 -7.678 1.00 15.13 H new ATOM 0 HA GLN A 87 -15.002 -1.732 -5.010 1.00 62.13 H new ATOM 0 HB2 GLN A 87 -14.751 -0.239 -7.635 1.00 13.33 H new ATOM 0 HB3 GLN A 87 -14.339 0.533 -6.116 1.00 13.33 H new ATOM 0 HG2 GLN A 87 -12.527 -0.909 -5.715 1.00 51.22 H new ATOM 0 HG3 GLN A 87 -13.135 -2.144 -6.799 1.00 51.22 H new ATOM 0 HE21 GLN A 87 -11.369 -2.350 -8.129 1.00 65.52 H new ATOM 0 HE22 GLN A 87 -10.778 -1.050 -9.170 1.00 65.52 H new ATOM 1452 N LEU A 88 -17.664 -0.373 -6.289 1.00 50.41 N ATOM 1453 CA LEU A 88 -18.850 0.421 -5.986 1.00 71.13 C ATOM 1454 C LEU A 88 -19.413 0.057 -4.616 1.00 54.13 C ATOM 1455 O LEU A 88 -20.051 0.879 -3.959 1.00 3.21 O ATOM 1456 CB LEU A 88 -19.917 0.210 -7.062 1.00 33.24 C ATOM 1457 CG LEU A 88 -20.835 -0.998 -6.869 1.00 10.05 C ATOM 1458 CD1 LEU A 88 -22.060 -0.613 -6.054 1.00 0.32 C ATOM 1459 CD2 LEU A 88 -21.248 -1.575 -8.215 1.00 5.02 C ATOM 0 H LEU A 88 -17.707 -0.873 -7.177 1.00 50.41 H new ATOM 0 HA LEU A 88 -18.561 1.472 -5.971 1.00 71.13 H new ATOM 0 HB2 LEU A 88 -20.535 1.106 -7.113 1.00 33.24 H new ATOM 0 HB3 LEU A 88 -19.418 0.112 -8.026 1.00 33.24 H new ATOM 0 HG LEU A 88 -20.285 -1.763 -6.321 1.00 10.05 H new ATOM 0 HD11 LEU A 88 -22.701 -1.485 -5.927 1.00 0.32 H new ATOM 0 HD12 LEU A 88 -21.746 -0.248 -5.076 1.00 0.32 H new ATOM 0 HD13 LEU A 88 -22.611 0.170 -6.574 1.00 0.32 H new ATOM 0 HD21 LEU A 88 -21.901 -2.434 -8.058 1.00 5.02 H new ATOM 0 HD22 LEU A 88 -21.779 -0.816 -8.789 1.00 5.02 H new ATOM 0 HD23 LEU A 88 -20.360 -1.890 -8.764 1.00 5.02 H new ATOM 1471 N GLU A 89 -19.172 -1.179 -4.192 1.00 23.31 N ATOM 1472 CA GLU A 89 -19.654 -1.651 -2.899 1.00 52.41 C ATOM 1473 C GLU A 89 -18.929 -0.944 -1.757 1.00 63.53 C ATOM 1474 O GLU A 89 -19.550 -0.510 -0.788 1.00 0.34 O ATOM 1475 CB GLU A 89 -19.465 -3.164 -2.780 1.00 25.22 C ATOM 1476 CG GLU A 89 -20.294 -3.796 -1.675 1.00 73.41 C ATOM 1477 CD GLU A 89 -20.166 -5.307 -1.641 1.00 4.15 C ATOM 1478 OE1 GLU A 89 -20.419 -5.949 -2.681 1.00 51.42 O ATOM 1479 OE2 GLU A 89 -19.811 -5.847 -0.572 1.00 23.13 O ATOM 0 H GLU A 89 -18.646 -1.872 -4.725 1.00 23.31 H new ATOM 0 HA GLU A 89 -20.717 -1.419 -2.830 1.00 52.41 H new ATOM 0 HB2 GLU A 89 -19.726 -3.630 -3.730 1.00 25.22 H new ATOM 0 HB3 GLU A 89 -18.411 -3.377 -2.599 1.00 25.22 H new ATOM 0 HG2 GLU A 89 -19.983 -3.387 -0.714 1.00 73.41 H new ATOM 0 HG3 GLU A 89 -21.341 -3.527 -1.812 1.00 73.41 H new ATOM 1486 N SER A 90 -17.610 -0.835 -1.880 1.00 43.00 N ATOM 1487 CA SER A 90 -16.798 -0.186 -0.857 1.00 71.01 C ATOM 1488 C SER A 90 -17.099 1.308 -0.792 1.00 13.24 C ATOM 1489 O SER A 90 -17.227 1.880 0.292 1.00 70.43 O ATOM 1490 CB SER A 90 -15.311 -0.406 -1.140 1.00 61.14 C ATOM 1491 OG SER A 90 -14.742 -1.308 -0.207 1.00 41.02 O ATOM 0 H SER A 90 -17.081 -1.188 -2.678 1.00 43.00 H new ATOM 0 HA SER A 90 -17.047 -0.632 0.106 1.00 71.01 H new ATOM 0 HB2 SER A 90 -15.184 -0.795 -2.150 1.00 61.14 H new ATOM 0 HB3 SER A 90 -14.784 0.547 -1.096 1.00 61.14 H new ATOM 0 HG SER A 90 -13.842 -1.005 0.034 1.00 41.02 H new ATOM 1497 N ILE A 91 -17.211 1.934 -1.958 1.00 53.31 N ATOM 1498 CA ILE A 91 -17.498 3.361 -2.034 1.00 54.31 C ATOM 1499 C ILE A 91 -18.896 3.670 -1.508 1.00 21.34 C ATOM 1500 O ILE A 91 -19.097 4.647 -0.787 1.00 14.50 O ATOM 1501 CB ILE A 91 -17.379 3.883 -3.478 1.00 53.42 C ATOM 1502 CG1 ILE A 91 -15.984 3.593 -4.035 1.00 73.43 C ATOM 1503 CG2 ILE A 91 -17.675 5.375 -3.528 1.00 73.12 C ATOM 1504 CD1 ILE A 91 -16.002 2.959 -5.409 1.00 12.21 C ATOM 0 H ILE A 91 -17.107 1.476 -2.863 1.00 53.31 H new ATOM 0 HA ILE A 91 -16.758 3.865 -1.412 1.00 54.31 H new ATOM 0 HB ILE A 91 -18.112 3.366 -4.097 1.00 53.42 H new ATOM 0 HG12 ILE A 91 -15.419 4.524 -4.081 1.00 73.43 H new ATOM 0 HG13 ILE A 91 -15.456 2.933 -3.346 1.00 73.43 H new ATOM 0 HG21 ILE A 91 -17.587 5.729 -4.555 1.00 73.12 H new ATOM 0 HG22 ILE A 91 -18.687 5.557 -3.167 1.00 73.12 H new ATOM 0 HG23 ILE A 91 -16.963 5.908 -2.898 1.00 73.12 H new ATOM 0 HD11 ILE A 91 -14.979 2.782 -5.741 1.00 12.21 H new ATOM 0 HD12 ILE A 91 -16.539 2.011 -5.365 1.00 12.21 H new ATOM 0 HD13 ILE A 91 -16.501 3.627 -6.111 1.00 12.21 H new ATOM 1516 N TYR A 92 -19.858 2.829 -1.871 1.00 23.42 N ATOM 1517 CA TYR A 92 -21.237 3.011 -1.436 1.00 13.23 C ATOM 1518 C TYR A 92 -21.355 2.863 0.078 1.00 11.32 C ATOM 1519 O TYR A 92 -22.043 3.642 0.738 1.00 14.12 O ATOM 1520 CB TYR A 92 -22.151 2.001 -2.131 1.00 34.33 C ATOM 1521 CG TYR A 92 -23.624 2.273 -1.923 1.00 0.40 C ATOM 1522 CD1 TYR A 92 -24.275 3.268 -2.642 1.00 41.11 C ATOM 1523 CD2 TYR A 92 -24.365 1.535 -1.008 1.00 2.20 C ATOM 1524 CE1 TYR A 92 -25.620 3.521 -2.455 1.00 21.02 C ATOM 1525 CE2 TYR A 92 -25.711 1.780 -0.815 1.00 43.22 C ATOM 1526 CZ TYR A 92 -26.334 2.774 -1.541 1.00 5.44 C ATOM 1527 OH TYR A 92 -27.674 3.022 -1.352 1.00 41.32 O ATOM 0 H TYR A 92 -19.708 2.014 -2.466 1.00 23.42 H new ATOM 0 HA TYR A 92 -21.547 4.020 -1.710 1.00 13.23 H new ATOM 0 HB2 TYR A 92 -21.937 2.005 -3.200 1.00 34.33 H new ATOM 0 HB3 TYR A 92 -21.919 1.001 -1.764 1.00 34.33 H new ATOM 0 HD1 TYR A 92 -23.720 3.854 -3.360 1.00 41.11 H new ATOM 0 HD2 TYR A 92 -23.880 0.756 -0.438 1.00 2.20 H new ATOM 0 HE1 TYR A 92 -26.110 4.299 -3.021 1.00 21.02 H new ATOM 0 HE2 TYR A 92 -26.272 1.197 -0.100 1.00 43.22 H new ATOM 0 HH TYR A 92 -28.028 2.408 -0.675 1.00 41.32 H new ATOM 1537 N PHE A 93 -20.678 1.858 0.622 1.00 24.03 N ATOM 1538 CA PHE A 93 -20.705 1.606 2.058 1.00 13.04 C ATOM 1539 C PHE A 93 -20.073 2.763 2.826 1.00 53.50 C ATOM 1540 O PHE A 93 -20.652 3.276 3.784 1.00 41.40 O ATOM 1541 CB PHE A 93 -19.972 0.303 2.383 1.00 30.03 C ATOM 1542 CG PHE A 93 -20.601 -0.476 3.503 1.00 51.20 C ATOM 1543 CD1 PHE A 93 -20.357 -0.135 4.824 1.00 75.33 C ATOM 1544 CD2 PHE A 93 -21.436 -1.549 3.235 1.00 42.33 C ATOM 1545 CE1 PHE A 93 -20.935 -0.850 5.857 1.00 51.35 C ATOM 1546 CE2 PHE A 93 -22.017 -2.266 4.263 1.00 25.42 C ATOM 1547 CZ PHE A 93 -21.765 -1.917 5.576 1.00 61.33 C ATOM 0 H PHE A 93 -20.104 1.204 0.090 1.00 24.03 H new ATOM 0 HA PHE A 93 -21.747 1.515 2.365 1.00 13.04 H new ATOM 0 HB2 PHE A 93 -19.943 -0.320 1.489 1.00 30.03 H new ATOM 0 HB3 PHE A 93 -18.939 0.532 2.646 1.00 30.03 H new ATOM 0 HD1 PHE A 93 -19.708 0.698 5.049 1.00 75.33 H new ATOM 0 HD2 PHE A 93 -21.635 -1.828 2.211 1.00 42.33 H new ATOM 0 HE1 PHE A 93 -20.737 -0.574 6.882 1.00 51.35 H new ATOM 0 HE2 PHE A 93 -22.668 -3.099 4.041 1.00 25.42 H new ATOM 0 HZ PHE A 93 -22.216 -2.478 6.381 1.00 61.33 H new ATOM 1557 N ARG A 94 -18.882 3.169 2.398 1.00 32.01 N ATOM 1558 CA ARG A 94 -18.170 4.264 3.045 1.00 10.14 C ATOM 1559 C ARG A 94 -18.944 5.572 2.908 1.00 43.10 C ATOM 1560 O ARG A 94 -18.856 6.449 3.768 1.00 54.43 O ATOM 1561 CB ARG A 94 -16.773 4.420 2.442 1.00 60.43 C ATOM 1562 CG ARG A 94 -15.696 3.656 3.194 1.00 21.42 C ATOM 1563 CD ARG A 94 -16.061 2.188 3.351 1.00 22.33 C ATOM 1564 NE ARG A 94 -14.879 1.330 3.379 1.00 71.15 N ATOM 1565 CZ ARG A 94 -14.910 0.028 3.114 1.00 4.41 C ATOM 1566 NH1 ARG A 94 -16.056 -0.562 2.804 1.00 45.32 N ATOM 1567 NH2 ARG A 94 -13.792 -0.685 3.159 1.00 21.32 N ATOM 0 H ARG A 94 -18.390 2.756 1.606 1.00 32.01 H new ATOM 0 HA ARG A 94 -18.076 4.027 4.105 1.00 10.14 H new ATOM 0 HB2 ARG A 94 -16.793 4.079 1.407 1.00 60.43 H new ATOM 0 HB3 ARG A 94 -16.511 5.478 2.424 1.00 60.43 H new ATOM 0 HG2 ARG A 94 -14.749 3.742 2.662 1.00 21.42 H new ATOM 0 HG3 ARG A 94 -15.551 4.103 4.177 1.00 21.42 H new ATOM 0 HD2 ARG A 94 -16.629 2.052 4.271 1.00 22.33 H new ATOM 0 HD3 ARG A 94 -16.709 1.886 2.528 1.00 22.33 H new ATOM 0 HE ARG A 94 -13.981 1.753 3.615 1.00 71.15 H new ATOM 0 HH11 ARG A 94 -16.917 -0.017 2.768 1.00 45.32 H new ATOM 0 HH12 ARG A 94 -16.077 -1.561 2.601 1.00 45.32 H new ATOM 0 HH21 ARG A 94 -12.909 -0.234 3.397 1.00 21.32 H new ATOM 0 HH22 ARG A 94 -13.816 -1.684 2.956 1.00 21.32 H new ATOM 1581 N ILE A 95 -19.699 5.695 1.822 1.00 51.41 N ATOM 1582 CA ILE A 95 -20.488 6.895 1.573 1.00 41.52 C ATOM 1583 C ILE A 95 -21.787 6.875 2.371 1.00 2.25 C ATOM 1584 O ILE A 95 -22.343 7.924 2.699 1.00 35.03 O ATOM 1585 CB ILE A 95 -20.821 7.050 0.077 1.00 5.10 C ATOM 1586 CG1 ILE A 95 -19.582 7.503 -0.699 1.00 70.10 C ATOM 1587 CG2 ILE A 95 -21.962 8.038 -0.112 1.00 44.54 C ATOM 1588 CD1 ILE A 95 -19.744 7.416 -2.200 1.00 75.44 C ATOM 0 H ILE A 95 -19.781 4.979 1.101 1.00 51.41 H new ATOM 0 HA ILE A 95 -19.881 7.742 1.892 1.00 41.52 H new ATOM 0 HB ILE A 95 -21.137 6.082 -0.312 1.00 5.10 H new ATOM 0 HG12 ILE A 95 -19.348 8.532 -0.426 1.00 70.10 H new ATOM 0 HG13 ILE A 95 -18.731 6.892 -0.398 1.00 70.10 H new ATOM 0 HG21 ILE A 95 -22.186 8.137 -1.174 1.00 44.54 H new ATOM 0 HG22 ILE A 95 -22.846 7.677 0.413 1.00 44.54 H new ATOM 0 HG23 ILE A 95 -21.673 9.009 0.290 1.00 44.54 H new ATOM 0 HD11 ILE A 95 -18.828 7.753 -2.685 1.00 75.44 H new ATOM 0 HD12 ILE A 95 -19.947 6.384 -2.485 1.00 75.44 H new ATOM 0 HD13 ILE A 95 -20.574 8.049 -2.514 1.00 75.44 H new ATOM 1600 N LEU A 96 -22.264 5.675 2.683 1.00 12.44 N ATOM 1601 CA LEU A 96 -23.498 5.517 3.446 1.00 4.43 C ATOM 1602 C LEU A 96 -23.218 5.549 4.945 1.00 14.35 C ATOM 1603 O LEU A 96 -24.132 5.716 5.755 1.00 71.23 O ATOM 1604 CB LEU A 96 -24.187 4.204 3.072 1.00 12.32 C ATOM 1605 CG LEU A 96 -25.710 4.259 2.942 1.00 22.14 C ATOM 1606 CD1 LEU A 96 -26.348 4.590 4.282 1.00 32.04 C ATOM 1607 CD2 LEU A 96 -26.119 5.278 1.888 1.00 21.54 C ATOM 0 H LEU A 96 -21.816 4.797 2.420 1.00 12.44 H new ATOM 0 HA LEU A 96 -24.158 6.349 3.200 1.00 4.43 H new ATOM 0 HB2 LEU A 96 -23.774 3.857 2.125 1.00 12.32 H new ATOM 0 HB3 LEU A 96 -23.933 3.457 3.824 1.00 12.32 H new ATOM 0 HG LEU A 96 -26.064 3.278 2.626 1.00 22.14 H new ATOM 0 HD11 LEU A 96 -27.432 4.625 4.170 1.00 32.04 H new ATOM 0 HD12 LEU A 96 -26.083 3.824 5.010 1.00 32.04 H new ATOM 0 HD13 LEU A 96 -25.987 5.559 4.627 1.00 32.04 H new ATOM 0 HD21 LEU A 96 -27.206 5.304 1.809 1.00 21.54 H new ATOM 0 HD22 LEU A 96 -25.753 6.264 2.174 1.00 21.54 H new ATOM 0 HD23 LEU A 96 -25.692 4.997 0.925 1.00 21.54 H new ATOM 1619 N LEU A 97 -21.951 5.391 5.309 1.00 23.23 N ATOM 1620 CA LEU A 97 -21.550 5.404 6.712 1.00 61.31 C ATOM 1621 C LEU A 97 -22.278 6.505 7.476 1.00 31.33 C ATOM 1622 O LEU A 97 -22.652 7.537 6.920 1.00 0.50 O ATOM 1623 CB LEU A 97 -20.037 5.601 6.829 1.00 74.42 C ATOM 1624 CG LEU A 97 -19.273 4.503 7.569 1.00 22.31 C ATOM 1625 CD1 LEU A 97 -18.331 3.776 6.621 1.00 1.44 C ATOM 1626 CD2 LEU A 97 -18.503 5.088 8.744 1.00 13.02 C ATOM 0 H LEU A 97 -21.183 5.252 4.652 1.00 23.23 H new ATOM 0 HA LEU A 97 -21.820 4.443 7.150 1.00 61.31 H new ATOM 0 HB2 LEU A 97 -19.624 5.690 5.824 1.00 74.42 H new ATOM 0 HB3 LEU A 97 -19.852 6.549 7.335 1.00 74.42 H new ATOM 0 HG LEU A 97 -19.994 3.783 7.955 1.00 22.31 H new ATOM 0 HD11 LEU A 97 -17.796 2.998 7.165 1.00 1.44 H new ATOM 0 HD12 LEU A 97 -18.906 3.323 5.813 1.00 1.44 H new ATOM 0 HD13 LEU A 97 -17.616 4.485 6.204 1.00 1.44 H new ATOM 0 HD21 LEU A 97 -17.965 4.292 9.259 1.00 13.02 H new ATOM 0 HD22 LEU A 97 -17.792 5.830 8.380 1.00 13.02 H new ATOM 0 HD23 LEU A 97 -19.199 5.562 9.436 1.00 13.02 H new ATOM 1638 N PRO A 98 -22.483 6.282 8.783 1.00 52.11 N ATOM 1639 CA PRO A 98 -23.165 7.245 9.652 1.00 14.15 C ATOM 1640 C PRO A 98 -22.331 8.498 9.897 1.00 72.13 C ATOM 1641 O PRO A 98 -22.863 9.606 9.965 1.00 53.23 O ATOM 1642 CB PRO A 98 -23.360 6.469 10.958 1.00 44.14 C ATOM 1643 CG PRO A 98 -22.278 5.445 10.954 1.00 61.33 C ATOM 1644 CD PRO A 98 -22.064 5.073 9.512 1.00 15.33 C ATOM 0 HA PRO A 98 -24.095 7.604 9.210 1.00 14.15 H new ATOM 0 HB2 PRO A 98 -23.281 7.126 11.824 1.00 44.14 H new ATOM 0 HB3 PRO A 98 -24.345 6.004 10.999 1.00 44.14 H new ATOM 0 HG2 PRO A 98 -21.363 5.842 11.394 1.00 61.33 H new ATOM 0 HG3 PRO A 98 -22.563 4.574 11.543 1.00 61.33 H new ATOM 0 HD2 PRO A 98 -21.022 4.824 9.312 1.00 15.33 H new ATOM 0 HD3 PRO A 98 -22.660 4.206 9.228 1.00 15.33 H new ATOM 1652 N TYR A 99 -21.022 8.315 10.027 1.00 31.04 N ATOM 1653 CA TYR A 99 -20.115 9.431 10.266 1.00 25.11 C ATOM 1654 C TYR A 99 -20.009 10.321 9.032 1.00 50.05 C ATOM 1655 O TYR A 99 -20.059 11.546 9.131 1.00 0.40 O ATOM 1656 CB TYR A 99 -18.729 8.914 10.656 1.00 44.12 C ATOM 1657 CG TYR A 99 -18.756 7.879 11.758 1.00 52.22 C ATOM 1658 CD1 TYR A 99 -19.465 8.104 12.932 1.00 64.04 C ATOM 1659 CD2 TYR A 99 -18.074 6.676 11.625 1.00 72.24 C ATOM 1660 CE1 TYR A 99 -19.492 7.162 13.941 1.00 22.52 C ATOM 1661 CE2 TYR A 99 -18.097 5.727 12.628 1.00 30.14 C ATOM 1662 CZ TYR A 99 -18.807 5.975 13.785 1.00 63.41 C ATOM 1663 OH TYR A 99 -18.832 5.033 14.788 1.00 74.33 O ATOM 0 H TYR A 99 -20.565 7.405 9.971 1.00 31.04 H new ATOM 0 HA TYR A 99 -20.519 10.025 11.086 1.00 25.11 H new ATOM 0 HB2 TYR A 99 -18.251 8.483 9.776 1.00 44.12 H new ATOM 0 HB3 TYR A 99 -18.113 9.755 10.974 1.00 44.12 H new ATOM 0 HD1 TYR A 99 -20.004 9.031 13.057 1.00 64.04 H new ATOM 0 HD2 TYR A 99 -17.516 6.480 10.721 1.00 72.24 H new ATOM 0 HE1 TYR A 99 -20.047 7.354 14.848 1.00 22.52 H new ATOM 0 HE2 TYR A 99 -17.563 4.796 12.508 1.00 30.14 H new ATOM 0 HH TYR A 99 -18.300 4.255 14.519 1.00 74.33 H new ATOM 1673 N GLU A 100 -19.863 9.694 7.868 1.00 35.25 N ATOM 1674 CA GLU A 100 -19.751 10.428 6.614 1.00 43.50 C ATOM 1675 C GLU A 100 -21.049 11.164 6.296 1.00 52.51 C ATOM 1676 O GLU A 100 -21.039 12.352 5.973 1.00 4.53 O ATOM 1677 CB GLU A 100 -19.398 9.476 5.469 1.00 1.24 C ATOM 1678 CG GLU A 100 -19.173 10.178 4.141 1.00 44.40 C ATOM 1679 CD GLU A 100 -20.382 10.105 3.229 1.00 31.54 C ATOM 1680 OE1 GLU A 100 -21.518 10.140 3.748 1.00 61.31 O ATOM 1681 OE2 GLU A 100 -20.193 10.011 1.999 1.00 55.33 O ATOM 0 H GLU A 100 -19.820 8.680 7.768 1.00 35.25 H new ATOM 0 HA GLU A 100 -18.954 11.164 6.724 1.00 43.50 H new ATOM 0 HB2 GLU A 100 -18.498 8.921 5.734 1.00 1.24 H new ATOM 0 HB3 GLU A 100 -20.200 8.747 5.354 1.00 1.24 H new ATOM 0 HG2 GLU A 100 -18.924 11.223 4.325 1.00 44.40 H new ATOM 0 HG3 GLU A 100 -18.316 9.730 3.638 1.00 44.40 H new ATOM 1688 N ARG A 101 -22.166 10.450 6.389 1.00 64.51 N ATOM 1689 CA ARG A 101 -23.472 11.033 6.110 1.00 51.24 C ATOM 1690 C ARG A 101 -23.790 12.152 7.098 1.00 74.43 C ATOM 1691 O ARG A 101 -24.417 13.150 6.741 1.00 34.31 O ATOM 1692 CB ARG A 101 -24.559 9.958 6.172 1.00 4.24 C ATOM 1693 CG ARG A 101 -24.859 9.478 7.583 1.00 74.13 C ATOM 1694 CD ARG A 101 -25.921 8.389 7.586 1.00 51.22 C ATOM 1695 NE ARG A 101 -27.101 8.773 6.815 1.00 63.20 N ATOM 1696 CZ ARG A 101 -27.985 9.675 7.225 1.00 12.02 C ATOM 1697 NH1 ARG A 101 -27.824 10.283 8.392 1.00 10.51 N ATOM 1698 NH2 ARG A 101 -29.033 9.971 6.467 1.00 34.42 N ATOM 0 H ARG A 101 -22.192 9.466 6.656 1.00 64.51 H new ATOM 0 HA ARG A 101 -23.446 11.455 5.105 1.00 51.24 H new ATOM 0 HB2 ARG A 101 -25.474 10.352 5.729 1.00 4.24 H new ATOM 0 HB3 ARG A 101 -24.252 9.106 5.565 1.00 4.24 H new ATOM 0 HG2 ARG A 101 -23.946 9.099 8.042 1.00 74.13 H new ATOM 0 HG3 ARG A 101 -25.196 10.318 8.191 1.00 74.13 H new ATOM 0 HD2 ARG A 101 -25.501 7.472 7.173 1.00 51.22 H new ATOM 0 HD3 ARG A 101 -26.214 8.171 8.613 1.00 51.22 H new ATOM 0 HE ARG A 101 -27.254 8.324 5.912 1.00 63.20 H new ATOM 0 HH11 ARG A 101 -27.020 10.058 8.977 1.00 10.51 H new ATOM 0 HH12 ARG A 101 -28.505 10.975 8.704 1.00 10.51 H new ATOM 0 HH21 ARG A 101 -29.160 9.505 5.568 1.00 34.42 H new ATOM 0 HH22 ARG A 101 -29.711 10.664 6.783 1.00 34.42 H new ATOM 1712 N HIS A 102 -23.354 11.977 8.341 1.00 14.43 N ATOM 1713 CA HIS A 102 -23.593 12.972 9.381 1.00 22.14 C ATOM 1714 C HIS A 102 -22.810 14.251 9.100 1.00 24.40 C ATOM 1715 O HIS A 102 -23.343 15.354 9.212 1.00 33.21 O ATOM 1716 CB HIS A 102 -23.204 12.412 10.750 1.00 1.52 C ATOM 1717 CG HIS A 102 -24.306 11.652 11.422 1.00 41.43 C ATOM 1718 ND1 HIS A 102 -24.145 11.001 12.626 1.00 34.04 N ATOM 1719 CD2 HIS A 102 -25.591 11.443 11.051 1.00 42.31 C ATOM 1720 CE1 HIS A 102 -25.283 10.423 12.967 1.00 73.43 C ATOM 1721 NE2 HIS A 102 -26.177 10.676 12.028 1.00 42.33 N ATOM 0 H HIS A 102 -22.834 11.157 8.653 1.00 14.43 H new ATOM 0 HA HIS A 102 -24.656 13.212 9.383 1.00 22.14 H new ATOM 0 HB2 HIS A 102 -22.341 11.757 10.633 1.00 1.52 H new ATOM 0 HB3 HIS A 102 -22.895 13.234 11.395 1.00 1.52 H new ATOM 0 HD2 HIS A 102 -26.067 11.811 10.154 1.00 42.31 H new ATOM 0 HE1 HIS A 102 -25.453 9.842 13.862 1.00 73.43 H new ATOM 0 HE2 HIS A 102 -27.145 10.354 12.028 1.00 42.33 H new ATOM 1729 N MET A 103 -21.541 14.094 8.735 1.00 33.22 N ATOM 1730 CA MET A 103 -20.685 15.236 8.438 1.00 53.44 C ATOM 1731 C MET A 103 -21.263 16.066 7.296 1.00 74.04 C ATOM 1732 O MET A 103 -21.297 17.295 7.364 1.00 32.04 O ATOM 1733 CB MET A 103 -19.275 14.764 8.078 1.00 53.33 C ATOM 1734 CG MET A 103 -18.446 14.352 9.283 1.00 11.22 C ATOM 1735 SD MET A 103 -18.033 15.745 10.351 1.00 41.10 S ATOM 1736 CE MET A 103 -17.615 14.894 11.871 1.00 43.33 C ATOM 0 H MET A 103 -21.084 13.187 8.638 1.00 33.22 H new ATOM 0 HA MET A 103 -20.634 15.862 9.329 1.00 53.44 H new ATOM 0 HB2 MET A 103 -19.347 13.920 7.392 1.00 53.33 H new ATOM 0 HB3 MET A 103 -18.758 15.563 7.547 1.00 53.33 H new ATOM 0 HG2 MET A 103 -18.995 13.608 9.859 1.00 11.22 H new ATOM 0 HG3 MET A 103 -17.527 13.876 8.941 1.00 11.22 H new ATOM 0 HE1 MET A 103 -17.337 15.623 12.632 1.00 43.33 H new ATOM 0 HE2 MET A 103 -18.476 14.321 12.216 1.00 43.33 H new ATOM 0 HE3 MET A 103 -16.778 14.219 11.692 1.00 43.33 H new ATOM 1746 N ILE A 104 -21.716 15.387 6.247 1.00 34.22 N ATOM 1747 CA ILE A 104 -22.293 16.062 5.092 1.00 54.15 C ATOM 1748 C ILE A 104 -23.718 16.524 5.379 1.00 1.03 C ATOM 1749 O ILE A 104 -24.218 17.456 4.750 1.00 12.21 O ATOM 1750 CB ILE A 104 -22.303 15.148 3.852 1.00 23.00 C ATOM 1751 CG1 ILE A 104 -23.271 13.981 4.059 1.00 41.40 C ATOM 1752 CG2 ILE A 104 -20.900 14.634 3.562 1.00 13.41 C ATOM 1753 CD1 ILE A 104 -23.347 13.042 2.876 1.00 63.12 C ATOM 0 H ILE A 104 -21.694 14.370 6.174 1.00 34.22 H new ATOM 0 HA ILE A 104 -21.666 16.930 4.889 1.00 54.15 H new ATOM 0 HB ILE A 104 -22.642 15.728 2.994 1.00 23.00 H new ATOM 0 HG12 ILE A 104 -22.965 13.418 4.941 1.00 41.40 H new ATOM 0 HG13 ILE A 104 -24.266 14.377 4.263 1.00 41.40 H new ATOM 0 HG21 ILE A 104 -20.923 13.990 2.683 1.00 13.41 H new ATOM 0 HG22 ILE A 104 -20.235 15.477 3.376 1.00 13.41 H new ATOM 0 HG23 ILE A 104 -20.536 14.067 4.419 1.00 13.41 H new ATOM 0 HD11 ILE A 104 -24.052 12.239 3.093 1.00 63.12 H new ATOM 0 HD12 ILE A 104 -23.683 13.591 1.996 1.00 63.12 H new ATOM 0 HD13 ILE A 104 -22.361 12.618 2.684 1.00 63.12 H new ATOM 1765 N SER A 105 -24.366 15.866 6.336 1.00 44.42 N ATOM 1766 CA SER A 105 -25.734 16.208 6.706 1.00 1.15 C ATOM 1767 C SER A 105 -25.812 17.637 7.237 1.00 75.54 C ATOM 1768 O SER A 105 -26.810 18.329 7.038 1.00 73.20 O ATOM 1769 CB SER A 105 -26.258 15.231 7.761 1.00 52.23 C ATOM 1770 OG SER A 105 -27.507 15.659 8.276 1.00 0.01 O ATOM 0 H SER A 105 -23.965 15.094 6.868 1.00 44.42 H new ATOM 0 HA SER A 105 -26.355 16.136 5.813 1.00 1.15 H new ATOM 0 HB2 SER A 105 -26.363 14.239 7.322 1.00 52.23 H new ATOM 0 HB3 SER A 105 -25.536 15.146 8.573 1.00 52.23 H new ATOM 0 HG SER A 105 -27.821 15.018 8.947 1.00 0.01 H new ATOM 1776 N GLN A 106 -24.753 18.070 7.912 1.00 63.42 N ATOM 1777 CA GLN A 106 -24.702 19.415 8.471 1.00 4.05 C ATOM 1778 C GLN A 106 -24.803 20.466 7.371 1.00 14.44 C ATOM 1779 O GLN A 106 -25.518 21.458 7.513 1.00 43.32 O ATOM 1780 CB GLN A 106 -23.408 19.612 9.263 1.00 22.14 C ATOM 1781 CG GLN A 106 -23.607 20.339 10.584 1.00 73.43 C ATOM 1782 CD GLN A 106 -22.449 21.254 10.927 1.00 43.23 C ATOM 1783 OE1 GLN A 106 -21.285 20.903 10.730 1.00 72.33 O ATOM 1784 NE2 GLN A 106 -22.761 22.437 11.443 1.00 54.00 N ATOM 0 H GLN A 106 -23.919 17.509 8.085 1.00 63.42 H new ATOM 0 HA GLN A 106 -25.553 19.535 9.142 1.00 4.05 H new ATOM 0 HB2 GLN A 106 -22.959 18.638 9.458 1.00 22.14 H new ATOM 0 HB3 GLN A 106 -22.700 20.173 8.653 1.00 22.14 H new ATOM 0 HG2 GLN A 106 -24.526 20.924 10.538 1.00 73.43 H new ATOM 0 HG3 GLN A 106 -23.735 19.607 11.381 1.00 73.43 H new ATOM 0 HE21 GLN A 106 -23.739 22.688 11.590 1.00 54.00 H new ATOM 0 HE22 GLN A 106 -22.023 23.095 11.693 1.00 54.00 H new ATOM 1793 N GLU A 107 -24.084 20.242 6.276 1.00 23.24 N ATOM 1794 CA GLU A 107 -24.093 21.172 5.153 1.00 20.51 C ATOM 1795 C GLU A 107 -24.867 20.591 3.973 1.00 15.41 C ATOM 1796 O GLU A 107 -24.636 20.961 2.823 1.00 53.13 O ATOM 1797 CB GLU A 107 -22.662 21.503 4.725 1.00 61.34 C ATOM 1798 CG GLU A 107 -22.524 22.863 4.062 1.00 13.21 C ATOM 1799 CD GLU A 107 -21.127 23.437 4.193 1.00 41.11 C ATOM 1800 OE1 GLU A 107 -20.663 23.617 5.338 1.00 34.23 O ATOM 1801 OE2 GLU A 107 -20.497 23.706 3.149 1.00 43.23 O ATOM 0 H GLU A 107 -23.488 19.425 6.143 1.00 23.24 H new ATOM 0 HA GLU A 107 -24.589 22.088 5.476 1.00 20.51 H new ATOM 0 HB2 GLU A 107 -22.013 21.467 5.600 1.00 61.34 H new ATOM 0 HB3 GLU A 107 -22.311 20.735 4.036 1.00 61.34 H new ATOM 0 HG2 GLU A 107 -22.779 22.776 3.006 1.00 13.21 H new ATOM 0 HG3 GLU A 107 -23.240 23.554 4.507 1.00 13.21 H new ATOM 1808 N GLY A 108 -25.788 19.679 4.268 1.00 33.32 N ATOM 1809 CA GLY A 108 -26.583 19.061 3.222 1.00 5.14 C ATOM 1810 C GLY A 108 -27.726 18.233 3.775 1.00 42.30 C ATOM 1811 O GLY A 108 -27.915 17.082 3.380 1.00 5.24 O ATOM 0 H GLY A 108 -25.998 19.357 5.213 1.00 33.32 H new ATOM 0 HA2 GLY A 108 -26.983 19.836 2.568 1.00 5.14 H new ATOM 0 HA3 GLY A 108 -25.942 18.427 2.610 1.00 5.14 H new ATOM 1815 N ILE A 109 -28.489 18.819 4.691 1.00 33.13 N ATOM 1816 CA ILE A 109 -29.619 18.127 5.299 1.00 52.10 C ATOM 1817 C ILE A 109 -30.609 17.655 4.239 1.00 30.25 C ATOM 1818 O ILE A 109 -31.366 16.709 4.459 1.00 53.24 O ATOM 1819 CB ILE A 109 -30.355 19.029 6.307 1.00 33.14 C ATOM 1820 CG1 ILE A 109 -30.663 20.389 5.678 1.00 11.22 C ATOM 1821 CG2 ILE A 109 -29.524 19.199 7.570 1.00 14.34 C ATOM 1822 CD1 ILE A 109 -31.590 21.245 6.513 1.00 43.31 C ATOM 0 H ILE A 109 -28.346 19.771 5.028 1.00 33.13 H new ATOM 0 HA ILE A 109 -29.214 17.263 5.825 1.00 52.10 H new ATOM 0 HB ILE A 109 -31.298 18.553 6.577 1.00 33.14 H new ATOM 0 HG12 ILE A 109 -29.728 20.927 5.520 1.00 11.22 H new ATOM 0 HG13 ILE A 109 -31.111 20.233 4.697 1.00 11.22 H new ATOM 0 HG21 ILE A 109 -30.057 19.839 8.273 1.00 14.34 H new ATOM 0 HG22 ILE A 109 -29.351 18.224 8.026 1.00 14.34 H new ATOM 0 HG23 ILE A 109 -28.567 19.656 7.317 1.00 14.34 H new ATOM 0 HD11 ILE A 109 -31.764 22.194 6.006 1.00 43.31 H new ATOM 0 HD12 ILE A 109 -32.539 20.727 6.650 1.00 43.31 H new ATOM 0 HD13 ILE A 109 -31.135 21.432 7.486 1.00 43.31 H new ATOM 1834 N LYS A 110 -30.597 18.319 3.088 1.00 24.45 N ATOM 1835 CA LYS A 110 -31.490 17.966 1.992 1.00 55.12 C ATOM 1836 C LYS A 110 -31.294 16.512 1.576 1.00 34.31 C ATOM 1837 O LYS A 110 -32.208 15.880 1.047 1.00 51.04 O ATOM 1838 CB LYS A 110 -31.249 18.887 0.794 1.00 50.13 C ATOM 1839 CG LYS A 110 -31.355 20.364 1.131 1.00 53.22 C ATOM 1840 CD LYS A 110 -32.798 20.780 1.368 1.00 64.33 C ATOM 1841 CE LYS A 110 -32.910 22.272 1.638 1.00 14.25 C ATOM 1842 NZ LYS A 110 -34.182 22.615 2.333 1.00 0.34 N ATOM 0 H LYS A 110 -29.978 19.105 2.891 1.00 24.45 H new ATOM 0 HA LYS A 110 -32.516 18.091 2.338 1.00 55.12 H new ATOM 0 HB2 LYS A 110 -30.258 18.686 0.386 1.00 50.13 H new ATOM 0 HB3 LYS A 110 -31.970 18.649 0.012 1.00 50.13 H new ATOM 0 HG2 LYS A 110 -30.763 20.579 2.021 1.00 53.22 H new ATOM 0 HG3 LYS A 110 -30.934 20.955 0.318 1.00 53.22 H new ATOM 0 HD2 LYS A 110 -33.400 20.520 0.497 1.00 64.33 H new ATOM 0 HD3 LYS A 110 -33.204 20.225 2.214 1.00 64.33 H new ATOM 0 HE2 LYS A 110 -32.065 22.596 2.246 1.00 14.25 H new ATOM 0 HE3 LYS A 110 -32.852 22.817 0.696 1.00 14.25 H new ATOM 0 HZ1 LYS A 110 -34.221 23.641 2.499 1.00 0.34 H new ATOM 0 HZ2 LYS A 110 -34.989 22.329 1.742 1.00 0.34 H new ATOM 0 HZ3 LYS A 110 -34.226 22.115 3.244 1.00 0.34 H new ATOM 1856 N GLU A 111 -30.098 15.987 1.821 1.00 23.00 N ATOM 1857 CA GLU A 111 -29.784 14.606 1.472 1.00 2.40 C ATOM 1858 C GLU A 111 -30.432 13.636 2.455 1.00 24.23 C ATOM 1859 O GLU A 111 -30.700 12.481 2.121 1.00 1.21 O ATOM 1860 CB GLU A 111 -28.269 14.394 1.452 1.00 24.02 C ATOM 1861 CG GLU A 111 -27.660 14.480 0.063 1.00 40.54 C ATOM 1862 CD GLU A 111 -27.285 13.121 -0.496 1.00 3.55 C ATOM 1863 OE1 GLU A 111 -28.169 12.241 -0.557 1.00 3.31 O ATOM 1864 OE2 GLU A 111 -26.108 12.938 -0.871 1.00 21.25 O ATOM 0 H GLU A 111 -29.331 16.496 2.259 1.00 23.00 H new ATOM 0 HA GLU A 111 -30.184 14.409 0.477 1.00 2.40 H new ATOM 0 HB2 GLU A 111 -27.798 15.140 2.093 1.00 24.02 H new ATOM 0 HB3 GLU A 111 -28.042 13.417 1.879 1.00 24.02 H new ATOM 0 HG2 GLU A 111 -28.368 14.963 -0.611 1.00 40.54 H new ATOM 0 HG3 GLU A 111 -26.772 15.112 0.098 1.00 40.54 H new ATOM 1871 N THR A 112 -30.680 14.112 3.671 1.00 14.43 N ATOM 1872 CA THR A 112 -31.295 13.288 4.704 1.00 4.13 C ATOM 1873 C THR A 112 -32.700 12.858 4.301 1.00 72.32 C ATOM 1874 O THR A 112 -33.045 11.679 4.382 1.00 41.11 O ATOM 1875 CB THR A 112 -31.365 14.034 6.050 1.00 21.12 C ATOM 1876 OG1 THR A 112 -30.083 14.584 6.373 1.00 41.31 O ATOM 1877 CG2 THR A 112 -31.816 13.100 7.163 1.00 14.53 C ATOM 0 H THR A 112 -30.464 15.065 3.965 1.00 14.43 H new ATOM 0 HA THR A 112 -30.667 12.405 4.819 1.00 4.13 H new ATOM 0 HB THR A 112 -32.092 14.840 5.956 1.00 21.12 H new ATOM 0 HG1 THR A 112 -30.137 15.058 7.229 1.00 41.31 H new ATOM 0 HG21 THR A 112 -31.858 13.649 8.104 1.00 14.53 H new ATOM 0 HG22 THR A 112 -32.805 12.705 6.929 1.00 14.53 H new ATOM 0 HG23 THR A 112 -31.109 12.276 7.255 1.00 14.53 H new ATOM 1885 N GLN A 113 -33.507 13.820 3.866 1.00 42.43 N ATOM 1886 CA GLN A 113 -34.876 13.539 3.449 1.00 3.35 C ATOM 1887 C GLN A 113 -34.897 12.631 2.224 1.00 4.23 C ATOM 1888 O GLN A 113 -35.888 11.951 1.960 1.00 2.44 O ATOM 1889 CB GLN A 113 -35.617 14.843 3.146 1.00 64.43 C ATOM 1890 CG GLN A 113 -36.681 15.191 4.173 1.00 12.04 C ATOM 1891 CD GLN A 113 -36.513 16.588 4.737 1.00 52.31 C ATOM 1892 OE1 GLN A 113 -35.485 16.910 5.334 1.00 53.13 O ATOM 1893 NE2 GLN A 113 -37.525 17.428 4.550 1.00 21.21 N ATOM 0 H GLN A 113 -33.237 14.801 3.793 1.00 42.43 H new ATOM 0 HA GLN A 113 -35.380 13.025 4.267 1.00 3.35 H new ATOM 0 HB2 GLN A 113 -34.895 15.658 3.093 1.00 64.43 H new ATOM 0 HB3 GLN A 113 -36.083 14.766 2.164 1.00 64.43 H new ATOM 0 HG2 GLN A 113 -37.666 15.105 3.714 1.00 12.04 H new ATOM 0 HG3 GLN A 113 -36.645 14.468 4.988 1.00 12.04 H new ATOM 0 HE21 GLN A 113 -38.358 17.119 4.049 1.00 21.21 H new ATOM 0 HE22 GLN A 113 -37.469 18.382 4.907 1.00 21.21 H new ATOM 1902 N ALA A 114 -33.796 12.626 1.479 1.00 32.21 N ATOM 1903 CA ALA A 114 -33.688 11.800 0.283 1.00 42.22 C ATOM 1904 C ALA A 114 -33.652 10.318 0.640 1.00 1.10 C ATOM 1905 O ALA A 114 -34.028 9.465 -0.164 1.00 52.45 O ATOM 1906 CB ALA A 114 -32.449 12.184 -0.513 1.00 24.55 C ATOM 0 H ALA A 114 -32.967 13.184 1.683 1.00 32.21 H new ATOM 0 HA ALA A 114 -34.571 11.977 -0.332 1.00 42.22 H new ATOM 0 HB1 ALA A 114 -32.381 11.559 -1.404 1.00 24.55 H new ATOM 0 HB2 ALA A 114 -32.516 13.231 -0.809 1.00 24.55 H new ATOM 0 HB3 ALA A 114 -31.561 12.037 0.102 1.00 24.55 H new ATOM 1912 N LYS A 115 -33.196 10.017 1.851 1.00 13.23 N ATOM 1913 CA LYS A 115 -33.111 8.638 2.316 1.00 32.14 C ATOM 1914 C LYS A 115 -32.240 7.802 1.384 1.00 3.24 C ATOM 1915 O LYS A 115 -31.581 8.335 0.492 1.00 44.33 O ATOM 1916 CB LYS A 115 -34.509 8.023 2.412 1.00 14.11 C ATOM 1917 CG LYS A 115 -34.813 7.410 3.768 1.00 23.21 C ATOM 1918 CD LYS A 115 -36.302 7.430 4.069 1.00 40.21 C ATOM 1919 CE LYS A 115 -36.690 8.656 4.882 1.00 24.31 C ATOM 1920 NZ LYS A 115 -38.128 8.634 5.267 1.00 70.21 N ATOM 0 H LYS A 115 -32.879 10.710 2.529 1.00 13.23 H new ATOM 0 HA LYS A 115 -32.654 8.643 3.305 1.00 32.14 H new ATOM 0 HB2 LYS A 115 -35.251 8.792 2.196 1.00 14.11 H new ATOM 0 HB3 LYS A 115 -34.613 7.256 1.645 1.00 14.11 H new ATOM 0 HG2 LYS A 115 -34.450 6.383 3.793 1.00 23.21 H new ATOM 0 HG3 LYS A 115 -34.277 7.957 4.544 1.00 23.21 H new ATOM 0 HD2 LYS A 115 -36.863 7.419 3.135 1.00 40.21 H new ATOM 0 HD3 LYS A 115 -36.576 6.528 4.616 1.00 40.21 H new ATOM 0 HE2 LYS A 115 -36.074 8.706 5.780 1.00 24.31 H new ATOM 0 HE3 LYS A 115 -36.483 9.556 4.303 1.00 24.31 H new ATOM 0 HZ1 LYS A 115 -38.353 9.486 5.820 1.00 70.21 H new ATOM 0 HZ2 LYS A 115 -38.717 8.612 4.410 1.00 70.21 H new ATOM 0 HZ3 LYS A 115 -38.321 7.788 5.841 1.00 70.21 H new ATOM 1934 N ARG A 116 -32.242 6.490 1.597 1.00 13.32 N ATOM 1935 CA ARG A 116 -31.452 5.581 0.776 1.00 40.53 C ATOM 1936 C ARG A 116 -31.913 5.623 -0.678 1.00 71.43 C ATOM 1937 O ARG A 116 -31.198 5.182 -1.579 1.00 14.41 O ATOM 1938 CB ARG A 116 -31.555 4.153 1.314 1.00 4.33 C ATOM 1939 CG ARG A 116 -30.852 3.123 0.445 1.00 30.25 C ATOM 1940 CD ARG A 116 -30.762 1.774 1.143 1.00 53.42 C ATOM 1941 NE ARG A 116 -29.676 1.734 2.118 1.00 33.13 N ATOM 1942 CZ ARG A 116 -29.307 0.632 2.762 1.00 73.01 C ATOM 1943 NH1 ARG A 116 -29.934 -0.514 2.534 1.00 63.11 N ATOM 1944 NH2 ARG A 116 -28.309 0.675 3.635 1.00 12.03 N ATOM 0 H ARG A 116 -32.782 6.033 2.332 1.00 13.32 H new ATOM 0 HA ARG A 116 -30.412 5.903 0.819 1.00 40.53 H new ATOM 0 HB2 ARG A 116 -31.130 4.120 2.317 1.00 4.33 H new ATOM 0 HB3 ARG A 116 -32.607 3.883 1.404 1.00 4.33 H new ATOM 0 HG2 ARG A 116 -31.390 3.012 -0.497 1.00 30.25 H new ATOM 0 HG3 ARG A 116 -29.850 3.475 0.200 1.00 30.25 H new ATOM 0 HD2 ARG A 116 -31.707 1.561 1.644 1.00 53.42 H new ATOM 0 HD3 ARG A 116 -30.611 0.991 0.400 1.00 53.42 H new ATOM 0 HE ARG A 116 -29.173 2.599 2.316 1.00 33.13 H new ATOM 0 HH11 ARG A 116 -30.701 -0.551 1.863 1.00 63.11 H new ATOM 0 HH12 ARG A 116 -29.649 -1.359 3.030 1.00 63.11 H new ATOM 0 HH21 ARG A 116 -27.824 1.555 3.812 1.00 12.03 H new ATOM 0 HH22 ARG A 116 -28.027 -0.172 4.129 1.00 12.03 H new TER 1958 ARG A 116