USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1009 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 116 SER OG : rot 130:sc= 0.0949 USER MOD Set 1.2: A 118 THR OG1 : rot 72:sc= 0.931 USER MOD Set 2.1: A 98 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-4.6!) USER MOD Set 2.2: A 100 MET CE :methyl -169:sc= -0.0105 (180deg=-0.183) USER MOD Set 2.3: A 112 MET CE :methyl 150:sc= 0 (180deg=0) USER MOD Set 3.1: A 68 MET CE :methyl 180:sc= -0.0044 (180deg=-0.0044) USER MOD Set 3.2: A 107 MET CE :methyl 167:sc= -0.0463 (180deg=-0.275) USER MOD Set 4.1: A 66 LYS NZ :NH3+ 154:sc= 0.178 (180deg=-0.0577) USER MOD Set 4.2: A 70 MET CE :methyl 171:sc= 0 (180deg=-0.11) USER MOD Set 5.1: A 23 GLN : amide:sc= -0.79 K(o=-0.29,f=-8!) USER MOD Set 5.2: A 42 LYS NZ :NH3+ -143:sc= 0.503 (180deg=0.595) USER MOD Single : A 1 MET CE :methyl 133:sc= -0.154 (180deg=-0.596) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.879 (180deg=-0.0399) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= 0.831 (180deg=0.653) USER MOD Single : A 7 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.5) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HE2:sc= -0.153 K(o=-0.15,f=-1.3) USER MOD Single : A 22 GLN : amide:sc= -0.654 K(o=-0.65,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0116 USER MOD Single : A 34 LYS NZ :NH3+ -174:sc=-0.00248 (180deg=-0.0438) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 157:sc= -1.22 (180deg=-2.27!) USER MOD Single : A 44 THR OG1 : rot 75:sc= 0.532 USER MOD Single : A 56 HIS : no HD1:sc= -0.0517 X(o=-0.052,f=0.0044) USER MOD Single : A 57 SER OG : rot 77:sc= 1.26 USER MOD Single : A 58 GLN : amide:sc=-0.00825 X(o=-0.0082,f=-0.1) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 138:sc= -0.636 (180deg=-2.76!) USER MOD Single : A 65 GLN : amide:sc= -0.326 X(o=-0.33,f=-0.1) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.681 X(o=-0.68,f=-0.67) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -139:sc= -0.0855 (180deg=-1.04) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.386 X(o=-0.39,f=-0.49) USER MOD Single : A 84 MET CE :methyl -174:sc= 0 (180deg=-0.0557) USER MOD Single : A 86 LYS NZ :NH3+ 149:sc= -0.22 (180deg=-0.332) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 95:sc= 0.458 USER MOD Single : A 101 THR OG1 : rot -21:sc= 0.145 USER MOD Single : A 113 THR OG1 : rot -130:sc= -0.0798 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.893 -1.561 -4.552 1.00 0.00 N ATOM 2 CA MET A 1 -14.861 -2.324 -3.734 1.00 0.00 C ATOM 3 C MET A 1 -14.826 -1.824 -2.283 1.00 0.00 C ATOM 4 O MET A 1 -15.792 -1.228 -1.801 1.00 0.00 O ATOM 5 CB MET A 1 -14.550 -3.845 -3.808 1.00 0.00 C ATOM 6 CG MET A 1 -15.477 -4.743 -2.966 1.00 0.00 C ATOM 7 SD MET A 1 -15.017 -6.491 -3.032 1.00 0.00 S ATOM 8 CE MET A 1 -13.373 -6.487 -2.304 1.00 0.00 C ATOM 0 H1 MET A 1 -14.396 -1.073 -5.320 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.410 -0.860 -3.955 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.191 -2.213 -4.957 1.00 0.00 H new ATOM 0 HA MET A 1 -15.865 -2.167 -4.128 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.610 -4.162 -4.849 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.522 -4.006 -3.484 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.457 -4.406 -1.929 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.502 -4.629 -3.318 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.300 -7.285 -1.565 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.629 -6.646 -3.085 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.192 -5.527 -1.820 1.00 0.00 H new ATOM 18 N LYS A 2 -13.696 -2.071 -1.590 1.00 0.00 N ATOM 19 CA LYS A 2 -13.520 -1.724 -0.171 1.00 0.00 C ATOM 20 C LYS A 2 -12.381 -0.702 -0.034 1.00 0.00 C ATOM 21 O LYS A 2 -11.207 -1.068 0.104 1.00 0.00 O ATOM 22 CB LYS A 2 -13.246 -3.004 0.674 1.00 0.00 C ATOM 23 CG LYS A 2 -14.380 -4.053 0.656 1.00 0.00 C ATOM 24 CD LYS A 2 -15.722 -3.512 1.207 1.00 0.00 C ATOM 25 CE LYS A 2 -16.854 -4.555 1.136 1.00 0.00 C ATOM 26 NZ LYS A 2 -18.138 -4.027 1.671 1.00 0.00 N ATOM 0 H LYS A 2 -12.878 -2.519 -2.004 1.00 0.00 H new ATOM 0 HA LYS A 2 -14.436 -1.274 0.211 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -12.332 -3.473 0.310 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.062 -2.707 1.707 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -14.528 -4.400 -0.366 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.075 -4.918 1.245 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.586 -3.199 2.242 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.012 -2.627 0.641 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.994 -4.867 0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.565 -5.442 1.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -18.871 -4.762 1.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -18.013 -3.753 2.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -18.429 -3.196 1.117 1.00 0.00 H new ATOM 40 N GLU A 3 -12.747 0.587 -0.120 1.00 0.00 N ATOM 41 CA GLU A 3 -11.789 1.714 -0.027 1.00 0.00 C ATOM 42 C GLU A 3 -11.543 2.096 1.442 1.00 0.00 C ATOM 43 O GLU A 3 -10.651 2.897 1.748 1.00 0.00 O ATOM 44 CB GLU A 3 -12.313 2.930 -0.838 1.00 0.00 C ATOM 45 CG GLU A 3 -12.837 2.588 -2.253 1.00 0.00 C ATOM 46 CD GLU A 3 -11.891 1.687 -3.066 1.00 0.00 C ATOM 47 OE1 GLU A 3 -10.763 2.126 -3.380 1.00 0.00 O ATOM 48 OE2 GLU A 3 -12.276 0.539 -3.405 1.00 0.00 O ATOM 0 H GLU A 3 -13.714 0.883 -0.256 1.00 0.00 H new ATOM 0 HA GLU A 3 -10.837 1.401 -0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.115 3.407 -0.274 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -11.510 3.661 -0.930 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.805 2.094 -2.162 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.002 3.515 -2.803 1.00 0.00 H new ATOM 55 N VAL A 4 -12.342 1.484 2.335 1.00 0.00 N ATOM 56 CA VAL A 4 -12.251 1.650 3.793 1.00 0.00 C ATOM 57 C VAL A 4 -10.839 1.252 4.299 1.00 0.00 C ATOM 58 O VAL A 4 -10.365 1.781 5.291 1.00 0.00 O ATOM 59 CB VAL A 4 -13.372 0.791 4.507 1.00 0.00 C ATOM 60 CG1 VAL A 4 -13.424 1.042 6.027 1.00 0.00 C ATOM 61 CG2 VAL A 4 -14.763 1.042 3.868 1.00 0.00 C ATOM 0 H VAL A 4 -13.086 0.845 2.054 1.00 0.00 H new ATOM 0 HA VAL A 4 -12.412 2.699 4.040 1.00 0.00 H new ATOM 0 HB VAL A 4 -13.104 -0.255 4.359 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -14.209 0.429 6.470 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -12.464 0.780 6.472 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -13.636 2.095 6.215 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -15.513 0.438 4.379 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -15.021 2.097 3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -14.734 0.768 2.814 1.00 0.00 H new ATOM 71 N GLU A 5 -10.206 0.308 3.577 1.00 0.00 N ATOM 72 CA GLU A 5 -8.802 -0.133 3.794 1.00 0.00 C ATOM 73 C GLU A 5 -7.823 1.063 3.960 1.00 0.00 C ATOM 74 O GLU A 5 -7.047 1.119 4.923 1.00 0.00 O ATOM 75 CB GLU A 5 -8.352 -1.019 2.591 1.00 0.00 C ATOM 76 CG GLU A 5 -6.959 -1.670 2.739 1.00 0.00 C ATOM 77 CD GLU A 5 -6.923 -2.740 3.841 1.00 0.00 C ATOM 78 OE1 GLU A 5 -7.255 -3.913 3.551 1.00 0.00 O ATOM 79 OE2 GLU A 5 -6.616 -2.410 5.009 1.00 0.00 O ATOM 0 H GLU A 5 -10.661 -0.184 2.808 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.773 -0.704 4.722 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -9.090 -1.807 2.445 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.356 -0.408 1.689 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.670 -2.121 1.790 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.223 -0.898 2.963 1.00 0.00 H new ATOM 86 N LYS A 6 -7.840 1.955 2.951 1.00 0.00 N ATOM 87 CA LYS A 6 -7.055 3.225 3.008 1.00 0.00 C ATOM 88 C LYS A 6 -7.301 3.999 4.345 1.00 0.00 C ATOM 89 O LYS A 6 -6.368 4.571 4.931 1.00 0.00 O ATOM 90 CB LYS A 6 -7.383 4.165 1.807 1.00 0.00 C ATOM 91 CG LYS A 6 -6.894 3.695 0.412 1.00 0.00 C ATOM 92 CD LYS A 6 -7.762 2.582 -0.222 1.00 0.00 C ATOM 93 CE LYS A 6 -7.301 2.229 -1.655 1.00 0.00 C ATOM 94 NZ LYS A 6 -8.199 1.245 -2.313 1.00 0.00 N ATOM 0 H LYS A 6 -8.378 1.832 2.093 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.006 2.934 2.953 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.464 4.299 1.763 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.948 5.144 2.010 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -6.873 4.552 -0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.869 3.335 0.501 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.719 1.690 0.402 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.803 2.904 -0.246 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.261 3.138 -2.255 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.289 1.826 -1.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.714 0.825 -3.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.448 0.496 -1.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.065 1.725 -2.633 1.00 0.00 H new ATOM 108 N ASN A 7 -8.571 3.968 4.798 1.00 0.00 N ATOM 109 CA ASN A 7 -8.976 4.635 6.066 1.00 0.00 C ATOM 110 C ASN A 7 -8.401 3.908 7.316 1.00 0.00 C ATOM 111 O ASN A 7 -8.150 4.557 8.341 1.00 0.00 O ATOM 112 CB ASN A 7 -10.520 4.724 6.172 1.00 0.00 C ATOM 113 CG ASN A 7 -11.169 5.479 5.008 1.00 0.00 C ATOM 114 OD1 ASN A 7 -10.608 6.438 4.488 1.00 0.00 O ATOM 115 ND2 ASN A 7 -12.342 5.050 4.577 1.00 0.00 N ATOM 0 H ASN A 7 -9.333 3.494 4.314 1.00 0.00 H new ATOM 0 HA ASN A 7 -8.560 5.642 6.043 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -10.932 3.716 6.216 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -10.784 5.217 7.107 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -12.801 5.518 3.796 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -12.789 4.250 5.026 1.00 0.00 H new ATOM 122 N GLU A 8 -8.223 2.564 7.223 1.00 0.00 N ATOM 123 CA GLU A 8 -7.522 1.762 8.266 1.00 0.00 C ATOM 124 C GLU A 8 -6.051 2.197 8.414 1.00 0.00 C ATOM 125 O GLU A 8 -5.565 2.403 9.542 1.00 0.00 O ATOM 126 CB GLU A 8 -7.597 0.219 7.979 1.00 0.00 C ATOM 127 CG GLU A 8 -8.865 -0.503 8.493 1.00 0.00 C ATOM 128 CD GLU A 8 -10.165 -0.082 7.788 1.00 0.00 C ATOM 129 OE1 GLU A 8 -10.782 0.934 8.192 1.00 0.00 O ATOM 130 OE2 GLU A 8 -10.584 -0.778 6.840 1.00 0.00 O ATOM 0 H GLU A 8 -8.556 2.010 6.434 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.043 1.955 9.204 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.526 0.066 6.902 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -6.725 -0.257 8.427 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.731 -1.578 8.371 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.968 -0.314 9.562 1.00 0.00 H new ATOM 137 N ILE A 9 -5.338 2.317 7.276 1.00 0.00 N ATOM 138 CA ILE A 9 -3.927 2.755 7.257 1.00 0.00 C ATOM 139 C ILE A 9 -3.783 4.189 7.810 1.00 0.00 C ATOM 140 O ILE A 9 -2.839 4.481 8.552 1.00 0.00 O ATOM 141 CB ILE A 9 -3.322 2.652 5.799 1.00 0.00 C ATOM 142 CG1 ILE A 9 -3.414 1.177 5.259 1.00 0.00 C ATOM 143 CG2 ILE A 9 -1.862 3.184 5.739 1.00 0.00 C ATOM 144 CD1 ILE A 9 -2.628 0.138 6.065 1.00 0.00 C ATOM 0 H ILE A 9 -5.719 2.115 6.352 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.362 2.086 7.906 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.921 3.290 5.149 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.462 0.880 5.237 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.057 1.161 4.229 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.484 3.095 4.720 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.843 4.231 6.043 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.234 2.600 6.411 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.755 -0.846 5.613 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.571 0.403 6.066 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.998 0.117 7.090 1.00 0.00 H new ATOM 156 N LYS A 10 -4.750 5.057 7.464 1.00 0.00 N ATOM 157 CA LYS A 10 -4.811 6.443 7.974 1.00 0.00 C ATOM 158 C LYS A 10 -4.935 6.434 9.517 1.00 0.00 C ATOM 159 O LYS A 10 -4.266 7.191 10.202 1.00 0.00 O ATOM 160 CB LYS A 10 -5.998 7.202 7.284 1.00 0.00 C ATOM 161 CG LYS A 10 -6.211 8.695 7.702 1.00 0.00 C ATOM 162 CD LYS A 10 -7.030 8.875 9.013 1.00 0.00 C ATOM 163 CE LYS A 10 -6.992 10.314 9.563 1.00 0.00 C ATOM 164 NZ LYS A 10 -7.555 10.401 10.942 1.00 0.00 N ATOM 0 H LYS A 10 -5.510 4.821 6.826 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.891 6.974 7.729 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.843 7.169 6.206 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.918 6.656 7.491 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.237 9.169 7.826 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.720 9.219 6.893 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.066 8.592 8.828 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.644 8.193 9.771 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.963 10.673 9.568 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.555 10.971 8.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.510 11.386 11.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.545 10.083 10.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.002 9.795 11.581 1.00 0.00 H new ATOM 178 N ARG A 11 -5.865 5.597 9.998 1.00 0.00 N ATOM 179 CA ARG A 11 -6.118 5.379 11.440 1.00 0.00 C ATOM 180 C ARG A 11 -4.825 5.055 12.237 1.00 0.00 C ATOM 181 O ARG A 11 -4.463 5.799 13.159 1.00 0.00 O ATOM 182 CB ARG A 11 -7.182 4.272 11.613 1.00 0.00 C ATOM 183 CG ARG A 11 -7.473 3.852 13.068 1.00 0.00 C ATOM 184 CD ARG A 11 -8.529 2.733 13.145 1.00 0.00 C ATOM 185 NE ARG A 11 -9.836 3.175 12.607 1.00 0.00 N ATOM 186 CZ ARG A 11 -10.469 2.652 11.541 1.00 0.00 C ATOM 187 NH1 ARG A 11 -9.958 1.623 10.885 1.00 0.00 N ATOM 188 NH2 ARG A 11 -11.626 3.158 11.150 1.00 0.00 N ATOM 0 H ARG A 11 -6.473 5.043 9.394 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.496 6.312 11.859 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.112 4.612 11.159 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.859 3.392 11.057 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.550 3.513 13.539 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.820 4.717 13.633 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.180 1.865 12.586 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.650 2.418 14.181 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.299 3.946 13.088 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.073 1.215 11.186 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.449 1.237 10.079 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.036 3.943 11.656 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.108 2.764 10.342 1.00 0.00 H new ATOM 202 N LEU A 12 -4.127 3.957 11.870 1.00 0.00 N ATOM 203 CA LEU A 12 -2.895 3.523 12.593 1.00 0.00 C ATOM 204 C LEU A 12 -1.771 4.587 12.490 1.00 0.00 C ATOM 205 O LEU A 12 -0.997 4.783 13.439 1.00 0.00 O ATOM 206 CB LEU A 12 -2.441 2.106 12.112 1.00 0.00 C ATOM 207 CG LEU A 12 -2.099 1.925 10.584 1.00 0.00 C ATOM 208 CD1 LEU A 12 -0.617 2.233 10.259 1.00 0.00 C ATOM 209 CD2 LEU A 12 -2.494 0.519 10.072 1.00 0.00 C ATOM 0 H LEU A 12 -4.386 3.356 11.087 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.130 3.436 13.654 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.560 1.822 12.688 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.230 1.397 12.365 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.700 2.662 10.052 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.441 2.091 9.193 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.392 3.265 10.530 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.027 1.560 10.825 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.243 0.433 9.015 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.952 -0.239 10.637 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.566 0.372 10.203 1.00 0.00 H new ATOM 221 N SER A 13 -1.675 5.226 11.304 1.00 0.00 N ATOM 222 CA SER A 13 -0.820 6.407 11.098 1.00 0.00 C ATOM 223 C SER A 13 -1.090 7.509 12.152 1.00 0.00 C ATOM 224 O SER A 13 -0.168 7.935 12.832 1.00 0.00 O ATOM 225 CB SER A 13 -1.020 6.953 9.668 1.00 0.00 C ATOM 226 OG SER A 13 -0.165 8.056 9.392 1.00 0.00 O ATOM 0 H SER A 13 -2.186 4.937 10.470 1.00 0.00 H new ATOM 0 HA SER A 13 0.218 6.098 11.222 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.830 6.158 8.947 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.058 7.259 9.539 1.00 0.00 H new ATOM 0 HG SER A 13 -0.322 8.370 8.477 1.00 0.00 H new ATOM 232 N ASP A 14 -2.363 7.948 12.254 1.00 0.00 N ATOM 233 CA ASP A 14 -2.820 8.956 13.259 1.00 0.00 C ATOM 234 C ASP A 14 -2.479 8.541 14.708 1.00 0.00 C ATOM 235 O ASP A 14 -2.220 9.391 15.567 1.00 0.00 O ATOM 236 CB ASP A 14 -4.359 9.152 13.122 1.00 0.00 C ATOM 237 CG ASP A 14 -4.961 10.149 14.140 1.00 0.00 C ATOM 238 OD1 ASP A 14 -4.595 11.340 14.101 1.00 0.00 O ATOM 239 OD2 ASP A 14 -5.795 9.747 14.981 1.00 0.00 O ATOM 0 H ASP A 14 -3.111 7.618 11.644 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.293 9.888 13.056 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.582 9.500 12.113 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.850 8.186 13.242 1.00 0.00 H new ATOM 244 N ARG A 15 -2.483 7.217 14.929 1.00 0.00 N ATOM 245 CA ARG A 15 -2.168 6.631 16.244 1.00 0.00 C ATOM 246 C ARG A 15 -0.694 6.941 16.618 1.00 0.00 C ATOM 247 O ARG A 15 -0.409 7.611 17.631 1.00 0.00 O ATOM 248 CB ARG A 15 -2.440 5.097 16.255 1.00 0.00 C ATOM 249 CG ARG A 15 -2.378 4.454 17.660 1.00 0.00 C ATOM 250 CD ARG A 15 -3.477 4.993 18.588 1.00 0.00 C ATOM 251 NE ARG A 15 -3.299 4.567 19.986 1.00 0.00 N ATOM 252 CZ ARG A 15 -4.076 4.957 21.012 1.00 0.00 C ATOM 253 NH1 ARG A 15 -5.136 5.732 20.812 1.00 0.00 N ATOM 254 NH2 ARG A 15 -3.790 4.558 22.238 1.00 0.00 N ATOM 0 H ARG A 15 -2.702 6.527 14.210 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.820 7.081 16.993 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.424 4.910 15.825 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.712 4.605 15.610 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.479 3.373 17.569 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.401 4.647 18.104 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.484 6.082 18.542 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.449 4.653 18.230 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.530 3.929 20.191 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.371 6.041 19.869 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.715 6.018 21.602 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.983 3.957 22.403 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.376 4.851 23.020 1.00 0.00 H new ATOM 268 N LEU A 16 0.226 6.503 15.739 1.00 0.00 N ATOM 269 CA LEU A 16 1.675 6.655 15.954 1.00 0.00 C ATOM 270 C LEU A 16 2.073 8.154 15.917 1.00 0.00 C ATOM 271 O LEU A 16 2.926 8.585 16.695 1.00 0.00 O ATOM 272 CB LEU A 16 2.437 5.801 14.882 1.00 0.00 C ATOM 273 CG LEU A 16 3.959 5.458 15.139 1.00 0.00 C ATOM 274 CD1 LEU A 16 4.908 6.650 14.881 1.00 0.00 C ATOM 275 CD2 LEU A 16 4.172 4.876 16.556 1.00 0.00 C ATOM 0 H LEU A 16 -0.013 6.036 14.864 1.00 0.00 H new ATOM 0 HA LEU A 16 1.954 6.287 16.941 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.900 4.860 14.764 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.371 6.327 13.930 1.00 0.00 H new ATOM 0 HG LEU A 16 4.222 4.694 14.407 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.936 6.345 15.076 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.815 6.971 13.843 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.643 7.476 15.541 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.228 4.651 16.702 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.850 5.604 17.301 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.588 3.962 16.666 1.00 0.00 H new ATOM 287 N ASP A 17 1.470 8.917 14.986 1.00 0.00 N ATOM 288 CA ASP A 17 1.686 10.374 14.845 1.00 0.00 C ATOM 289 C ASP A 17 1.360 11.140 16.139 1.00 0.00 C ATOM 290 O ASP A 17 2.191 11.908 16.630 1.00 0.00 O ATOM 291 CB ASP A 17 0.828 10.917 13.676 1.00 0.00 C ATOM 292 CG ASP A 17 0.989 12.431 13.431 1.00 0.00 C ATOM 293 OD1 ASP A 17 2.013 12.839 12.845 1.00 0.00 O ATOM 294 OD2 ASP A 17 0.094 13.216 13.812 1.00 0.00 O ATOM 0 H ASP A 17 0.813 8.539 14.304 1.00 0.00 H new ATOM 0 HA ASP A 17 2.744 10.532 14.635 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.094 10.382 12.765 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.221 10.701 13.878 1.00 0.00 H new ATOM 299 N ALA A 18 0.126 10.976 16.653 1.00 0.00 N ATOM 300 CA ALA A 18 -0.282 11.515 17.961 1.00 0.00 C ATOM 301 C ALA A 18 0.674 11.099 19.099 1.00 0.00 C ATOM 302 O ALA A 18 0.897 11.885 20.017 1.00 0.00 O ATOM 303 CB ALA A 18 -1.722 11.110 18.284 1.00 0.00 C ATOM 0 H ALA A 18 -0.615 10.466 16.172 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.228 12.601 17.889 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.006 11.517 19.254 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.391 11.501 17.517 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.797 10.023 18.311 1.00 0.00 H new ATOM 309 N ILE A 19 1.270 9.887 18.982 1.00 0.00 N ATOM 310 CA ILE A 19 2.249 9.413 19.990 1.00 0.00 C ATOM 311 C ILE A 19 3.573 10.203 19.886 1.00 0.00 C ATOM 312 O ILE A 19 4.092 10.648 20.915 1.00 0.00 O ATOM 313 CB ILE A 19 2.497 7.846 19.944 1.00 0.00 C ATOM 314 CG1 ILE A 19 1.214 7.100 20.454 1.00 0.00 C ATOM 315 CG2 ILE A 19 3.761 7.412 20.760 1.00 0.00 C ATOM 316 CD1 ILE A 19 1.337 5.590 20.543 1.00 0.00 C ATOM 0 H ILE A 19 1.096 9.234 18.218 1.00 0.00 H new ATOM 0 HA ILE A 19 1.805 9.610 20.966 1.00 0.00 H new ATOM 0 HB ILE A 19 2.694 7.568 18.909 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.957 7.486 21.440 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.384 7.342 19.790 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.883 6.331 20.694 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.644 7.902 20.351 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.637 7.700 21.804 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.399 5.169 20.905 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.560 5.184 19.556 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.141 5.330 21.232 1.00 0.00 H new ATOM 328 N ARG A 20 4.141 10.391 18.671 1.00 0.00 N ATOM 329 CA ARG A 20 5.412 11.111 18.471 1.00 0.00 C ATOM 330 C ARG A 20 5.295 12.632 18.703 1.00 0.00 C ATOM 331 O ARG A 20 6.289 13.242 19.096 1.00 0.00 O ATOM 332 CB ARG A 20 6.007 10.826 17.063 1.00 0.00 C ATOM 333 CG ARG A 20 5.154 11.345 15.884 1.00 0.00 C ATOM 334 CD ARG A 20 5.941 11.470 14.568 1.00 0.00 C ATOM 335 NE ARG A 20 7.102 12.374 14.717 1.00 0.00 N ATOM 336 CZ ARG A 20 7.051 13.716 14.770 1.00 0.00 C ATOM 337 NH1 ARG A 20 5.905 14.368 14.606 1.00 0.00 N ATOM 338 NH2 ARG A 20 8.162 14.401 14.991 1.00 0.00 N ATOM 0 H ARG A 20 3.727 10.046 17.805 1.00 0.00 H new ATOM 0 HA ARG A 20 6.093 10.726 19.230 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.997 11.278 17.004 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.140 9.750 16.951 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.311 10.672 15.732 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.741 12.319 16.145 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.283 10.485 14.252 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.284 11.846 13.784 1.00 0.00 H new ATOM 0 HE ARG A 20 8.023 11.941 14.786 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.043 13.850 14.436 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.887 15.387 14.650 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.047 13.910 15.119 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.133 15.420 15.033 1.00 0.00 H new ATOM 352 N HIS A 21 4.120 13.265 18.449 1.00 0.00 N ATOM 353 CA HIS A 21 3.879 14.685 18.823 1.00 0.00 C ATOM 354 C HIS A 21 3.758 14.830 20.334 1.00 0.00 C ATOM 355 O HIS A 21 4.230 15.798 20.916 1.00 0.00 O ATOM 356 CB HIS A 21 2.570 15.197 18.164 1.00 0.00 C ATOM 357 CG HIS A 21 2.410 16.707 18.192 1.00 0.00 C ATOM 358 ND1 HIS A 21 2.356 17.447 19.362 1.00 0.00 N ATOM 359 CD2 HIS A 21 2.335 17.616 17.186 1.00 0.00 C ATOM 360 CE1 HIS A 21 2.257 18.727 19.073 1.00 0.00 C ATOM 361 NE2 HIS A 21 2.244 18.859 17.763 1.00 0.00 N ATOM 0 H HIS A 21 3.327 12.817 17.989 1.00 0.00 H new ATOM 0 HA HIS A 21 4.726 15.274 18.471 1.00 0.00 H new ATOM 0 HB2 HIS A 21 2.541 14.859 17.128 1.00 0.00 H new ATOM 0 HB3 HIS A 21 1.719 14.743 18.671 1.00 0.00 H new ATOM 0 HD1 HIS A 21 2.388 17.059 20.305 1.00 0.00 H new ATOM 0 HD2 HIS A 21 2.345 17.401 16.128 1.00 0.00 H new ATOM 0 HE1 HIS A 21 2.197 19.533 19.789 1.00 0.00 H new ATOM 370 N GLN A 22 3.061 13.858 20.914 1.00 0.00 N ATOM 371 CA GLN A 22 2.951 13.731 22.369 1.00 0.00 C ATOM 372 C GLN A 22 4.362 13.636 22.987 1.00 0.00 C ATOM 373 O GLN A 22 4.626 14.268 24.008 1.00 0.00 O ATOM 374 CB GLN A 22 2.042 12.539 22.744 1.00 0.00 C ATOM 375 CG GLN A 22 2.148 12.047 24.182 1.00 0.00 C ATOM 376 CD GLN A 22 1.107 10.976 24.515 1.00 0.00 C ATOM 377 OE1 GLN A 22 0.042 11.264 25.064 1.00 0.00 O ATOM 378 NE2 GLN A 22 1.383 9.738 24.133 1.00 0.00 N ATOM 0 H GLN A 22 2.558 13.138 20.395 1.00 0.00 H new ATOM 0 HA GLN A 22 2.474 14.618 22.785 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.007 12.822 22.553 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.273 11.708 22.078 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.146 11.643 24.352 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.026 12.891 24.861 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.273 9.530 23.681 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.705 8.992 24.291 1.00 0.00 H new ATOM 387 N GLN A 23 5.277 12.926 22.301 1.00 0.00 N ATOM 388 CA GLN A 23 6.688 12.824 22.697 1.00 0.00 C ATOM 389 C GLN A 23 7.511 14.038 22.256 1.00 0.00 C ATOM 390 O GLN A 23 8.626 14.189 22.729 1.00 0.00 O ATOM 391 CB GLN A 23 7.315 11.551 22.107 1.00 0.00 C ATOM 392 CG GLN A 23 6.943 10.259 22.830 1.00 0.00 C ATOM 393 CD GLN A 23 7.504 9.039 22.121 1.00 0.00 C ATOM 394 OE1 GLN A 23 7.540 8.997 20.898 1.00 0.00 O ATOM 395 NE2 GLN A 23 8.020 8.088 22.866 1.00 0.00 N ATOM 0 H GLN A 23 5.054 12.406 21.453 1.00 0.00 H new ATOM 0 HA GLN A 23 6.705 12.785 23.786 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.015 11.466 21.063 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.400 11.658 22.119 1.00 0.00 H new ATOM 0 HG2 GLN A 23 7.320 10.292 23.852 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.858 10.177 22.893 1.00 0.00 H new ATOM 0 HE21 GLN A 23 7.973 8.154 23.883 1.00 0.00 H new ATOM 0 HE22 GLN A 23 8.468 7.283 22.428 1.00 0.00 H new ATOM 404 N ALA A 24 7.016 14.838 21.300 1.00 0.00 N ATOM 405 CA ALA A 24 7.625 16.159 20.984 1.00 0.00 C ATOM 406 C ALA A 24 7.469 17.115 22.173 1.00 0.00 C ATOM 407 O ALA A 24 8.416 17.808 22.564 1.00 0.00 O ATOM 408 CB ALA A 24 7.016 16.757 19.701 1.00 0.00 C ATOM 0 H ALA A 24 6.202 14.605 20.731 1.00 0.00 H new ATOM 0 HA ALA A 24 8.690 16.013 20.802 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.479 17.722 19.494 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.195 16.082 18.864 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.943 16.891 19.836 1.00 0.00 H new ATOM 414 N ASP A 25 6.233 17.171 22.702 1.00 0.00 N ATOM 415 CA ASP A 25 5.957 17.849 23.992 1.00 0.00 C ATOM 416 C ASP A 25 6.712 17.200 25.188 1.00 0.00 C ATOM 417 O ASP A 25 6.667 17.720 26.304 1.00 0.00 O ATOM 418 CB ASP A 25 4.425 17.852 24.257 1.00 0.00 C ATOM 419 CG ASP A 25 3.610 18.510 23.118 1.00 0.00 C ATOM 420 OD1 ASP A 25 3.701 19.744 22.945 1.00 0.00 O ATOM 421 OD2 ASP A 25 2.874 17.801 22.389 1.00 0.00 O ATOM 0 H ASP A 25 5.410 16.759 22.262 1.00 0.00 H new ATOM 0 HA ASP A 25 6.325 18.872 23.911 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.084 16.825 24.392 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.225 18.380 25.190 1.00 0.00 H new ATOM 426 N LEU A 26 7.385 16.056 24.938 1.00 0.00 N ATOM 427 CA LEU A 26 8.248 15.406 25.953 1.00 0.00 C ATOM 428 C LEU A 26 9.729 15.415 25.539 1.00 0.00 C ATOM 429 O LEU A 26 10.083 15.609 24.380 1.00 0.00 O ATOM 430 CB LEU A 26 7.805 13.946 26.218 1.00 0.00 C ATOM 431 CG LEU A 26 6.312 13.741 26.589 1.00 0.00 C ATOM 432 CD1 LEU A 26 5.994 12.261 26.815 1.00 0.00 C ATOM 433 CD2 LEU A 26 5.878 14.600 27.792 1.00 0.00 C ATOM 0 H LEU A 26 7.349 15.563 24.046 1.00 0.00 H new ATOM 0 HA LEU A 26 8.137 15.988 26.868 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.021 13.355 25.328 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.417 13.543 27.025 1.00 0.00 H new ATOM 0 HG LEU A 26 5.727 14.084 25.736 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.941 12.150 27.073 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.205 11.700 25.904 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.609 11.877 27.629 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.825 14.418 28.008 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.478 14.337 28.663 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.023 15.655 27.557 1.00 0.00 H new ATOM 445 N SER A 27 10.573 15.250 26.549 1.00 0.00 N ATOM 446 CA SER A 27 12.012 14.981 26.369 1.00 0.00 C ATOM 447 C SER A 27 12.418 13.872 27.352 1.00 0.00 C ATOM 448 O SER A 27 11.616 13.467 28.198 1.00 0.00 O ATOM 449 CB SER A 27 12.843 16.262 26.613 1.00 0.00 C ATOM 450 OG SER A 27 14.214 16.085 26.278 1.00 0.00 O ATOM 0 H SER A 27 10.286 15.298 27.527 1.00 0.00 H new ATOM 0 HA SER A 27 12.206 14.659 25.346 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.429 17.079 26.023 1.00 0.00 H new ATOM 0 HB3 SER A 27 12.761 16.552 27.661 1.00 0.00 H new ATOM 0 HG SER A 27 14.702 16.918 26.446 1.00 0.00 H new ATOM 456 N LEU A 28 13.656 13.390 27.240 1.00 0.00 N ATOM 457 CA LEU A 28 14.178 12.321 28.108 1.00 0.00 C ATOM 458 C LEU A 28 14.482 12.868 29.517 1.00 0.00 C ATOM 459 O LEU A 28 14.235 12.190 30.524 1.00 0.00 O ATOM 460 CB LEU A 28 15.439 11.683 27.442 1.00 0.00 C ATOM 461 CG LEU A 28 15.977 10.323 28.032 1.00 0.00 C ATOM 462 CD1 LEU A 28 16.891 10.510 29.267 1.00 0.00 C ATOM 463 CD2 LEU A 28 14.802 9.375 28.359 1.00 0.00 C ATOM 0 H LEU A 28 14.327 13.725 26.549 1.00 0.00 H new ATOM 0 HA LEU A 28 13.425 11.542 28.226 1.00 0.00 H new ATOM 0 HB2 LEU A 28 15.216 11.525 26.387 1.00 0.00 H new ATOM 0 HB3 LEU A 28 16.248 12.412 27.491 1.00 0.00 H new ATOM 0 HG LEU A 28 16.599 9.873 27.258 1.00 0.00 H new ATOM 0 HD11 LEU A 28 17.226 9.536 29.623 1.00 0.00 H new ATOM 0 HD12 LEU A 28 17.756 11.113 28.991 1.00 0.00 H new ATOM 0 HD13 LEU A 28 16.335 11.013 30.058 1.00 0.00 H new ATOM 0 HD21 LEU A 28 15.190 8.441 28.765 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.148 9.846 29.093 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.237 9.168 27.450 1.00 0.00 H new ATOM 475 N VAL A 29 15.006 14.103 29.573 1.00 0.00 N ATOM 476 CA VAL A 29 15.416 14.747 30.835 1.00 0.00 C ATOM 477 C VAL A 29 14.182 15.089 31.709 1.00 0.00 C ATOM 478 O VAL A 29 14.184 14.836 32.922 1.00 0.00 O ATOM 479 CB VAL A 29 16.285 16.035 30.564 1.00 0.00 C ATOM 480 CG1 VAL A 29 16.778 16.689 31.879 1.00 0.00 C ATOM 481 CG2 VAL A 29 17.474 15.717 29.628 1.00 0.00 C ATOM 0 H VAL A 29 15.158 14.683 28.748 1.00 0.00 H new ATOM 0 HA VAL A 29 16.035 14.037 31.383 1.00 0.00 H new ATOM 0 HB VAL A 29 15.640 16.757 30.064 1.00 0.00 H new ATOM 0 HG11 VAL A 29 17.372 17.572 31.645 1.00 0.00 H new ATOM 0 HG12 VAL A 29 15.920 16.979 32.485 1.00 0.00 H new ATOM 0 HG13 VAL A 29 17.389 15.976 32.433 1.00 0.00 H new ATOM 0 HG21 VAL A 29 18.056 16.623 29.458 1.00 0.00 H new ATOM 0 HG22 VAL A 29 18.108 14.960 30.089 1.00 0.00 H new ATOM 0 HG23 VAL A 29 17.098 15.344 28.676 1.00 0.00 H new ATOM 491 N GLU A 30 13.126 15.636 31.072 1.00 0.00 N ATOM 492 CA GLU A 30 11.872 15.998 31.777 1.00 0.00 C ATOM 493 C GLU A 30 10.996 14.756 32.006 1.00 0.00 C ATOM 494 O GLU A 30 10.289 14.671 33.009 1.00 0.00 O ATOM 495 CB GLU A 30 11.077 17.090 30.999 1.00 0.00 C ATOM 496 CG GLU A 30 10.626 16.679 29.587 1.00 0.00 C ATOM 497 CD GLU A 30 9.997 17.824 28.776 1.00 0.00 C ATOM 498 OE1 GLU A 30 10.743 18.731 28.342 1.00 0.00 O ATOM 499 OE2 GLU A 30 8.771 17.809 28.544 1.00 0.00 O ATOM 0 H GLU A 30 13.114 15.838 30.072 1.00 0.00 H new ATOM 0 HA GLU A 30 12.148 16.411 32.747 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.197 17.362 31.581 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.696 17.984 30.921 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.485 16.289 29.041 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.905 15.866 29.669 1.00 0.00 H new ATOM 506 N ALA A 31 11.065 13.785 31.083 1.00 0.00 N ATOM 507 CA ALA A 31 10.239 12.578 31.144 1.00 0.00 C ATOM 508 C ALA A 31 11.117 11.339 30.934 1.00 0.00 C ATOM 509 O ALA A 31 11.297 10.868 29.823 1.00 0.00 O ATOM 510 CB ALA A 31 9.085 12.663 30.118 1.00 0.00 C ATOM 0 H ALA A 31 11.692 13.817 30.279 1.00 0.00 H new ATOM 0 HA ALA A 31 9.782 12.495 32.130 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.480 11.758 30.175 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.463 13.530 30.341 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.497 12.760 29.114 1.00 0.00 H new ATOM 516 N ALA A 32 11.734 10.864 32.015 1.00 0.00 N ATOM 517 CA ALA A 32 12.397 9.543 32.052 1.00 0.00 C ATOM 518 C ALA A 32 11.375 8.510 32.555 1.00 0.00 C ATOM 519 O ALA A 32 11.676 7.613 33.358 1.00 0.00 O ATOM 520 CB ALA A 32 13.651 9.615 32.940 1.00 0.00 C ATOM 0 H ALA A 32 11.793 11.377 32.894 1.00 0.00 H new ATOM 0 HA ALA A 32 12.733 9.240 31.060 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.136 8.639 32.964 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.342 10.354 32.534 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.365 9.903 33.951 1.00 0.00 H new ATOM 526 N ASP A 33 10.171 8.618 31.979 1.00 0.00 N ATOM 527 CA ASP A 33 8.952 8.011 32.492 1.00 0.00 C ATOM 528 C ASP A 33 7.936 7.964 31.335 1.00 0.00 C ATOM 529 O ASP A 33 7.901 6.979 30.617 1.00 0.00 O ATOM 530 CB ASP A 33 8.414 8.792 33.724 1.00 0.00 C ATOM 531 CG ASP A 33 7.103 8.208 34.292 1.00 0.00 C ATOM 532 OD1 ASP A 33 7.171 7.253 35.095 1.00 0.00 O ATOM 533 OD2 ASP A 33 6.002 8.702 33.939 1.00 0.00 O ATOM 0 H ASP A 33 10.022 9.146 31.119 1.00 0.00 H new ATOM 0 HA ASP A 33 9.143 6.998 32.847 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.173 8.791 34.506 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.248 9.832 33.442 1.00 0.00 H new ATOM 538 N LYS A 34 7.143 9.051 31.145 1.00 0.00 N ATOM 539 CA LYS A 34 6.242 9.195 29.971 1.00 0.00 C ATOM 540 C LYS A 34 6.977 8.950 28.647 1.00 0.00 C ATOM 541 O LYS A 34 6.523 8.138 27.849 1.00 0.00 O ATOM 542 CB LYS A 34 5.532 10.581 29.949 1.00 0.00 C ATOM 543 CG LYS A 34 4.284 10.681 30.846 1.00 0.00 C ATOM 544 CD LYS A 34 3.197 9.651 30.463 1.00 0.00 C ATOM 545 CE LYS A 34 1.914 9.822 31.284 1.00 0.00 C ATOM 546 NZ LYS A 34 2.156 9.704 32.744 1.00 0.00 N ATOM 0 H LYS A 34 7.110 9.840 31.790 1.00 0.00 H new ATOM 0 HA LYS A 34 5.477 8.425 30.077 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.246 11.344 30.258 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.244 10.810 28.923 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.574 10.529 31.886 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.869 11.686 30.775 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.963 9.751 29.403 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.587 8.644 30.609 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.475 10.796 31.069 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.187 9.070 30.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.247 9.725 33.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.643 8.807 32.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.748 10.497 33.063 1.00 0.00 H new ATOM 560 N TYR A 35 8.145 9.590 28.473 1.00 0.00 N ATOM 561 CA TYR A 35 8.904 9.471 27.215 1.00 0.00 C ATOM 562 C TYR A 35 9.364 8.011 27.045 1.00 0.00 C ATOM 563 O TYR A 35 9.252 7.468 25.958 1.00 0.00 O ATOM 564 CB TYR A 35 10.112 10.435 27.144 1.00 0.00 C ATOM 565 CG TYR A 35 10.867 10.409 25.803 1.00 0.00 C ATOM 566 CD1 TYR A 35 10.276 10.879 24.627 1.00 0.00 C ATOM 567 CD2 TYR A 35 12.160 9.886 25.709 1.00 0.00 C ATOM 568 CE1 TYR A 35 10.947 10.827 23.420 1.00 0.00 C ATOM 569 CE2 TYR A 35 12.832 9.840 24.513 1.00 0.00 C ATOM 570 CZ TYR A 35 12.225 10.307 23.370 1.00 0.00 C ATOM 571 OH TYR A 35 12.887 10.230 22.164 1.00 0.00 O ATOM 0 H TYR A 35 8.580 10.187 29.176 1.00 0.00 H new ATOM 0 HA TYR A 35 8.242 9.757 26.398 1.00 0.00 H new ATOM 0 HB2 TYR A 35 9.763 11.450 27.331 1.00 0.00 H new ATOM 0 HB3 TYR A 35 10.809 10.185 27.944 1.00 0.00 H new ATOM 0 HD1 TYR A 35 9.278 11.290 24.662 1.00 0.00 H new ATOM 0 HD2 TYR A 35 12.642 9.509 26.599 1.00 0.00 H new ATOM 0 HE1 TYR A 35 10.474 11.191 22.520 1.00 0.00 H new ATOM 0 HE2 TYR A 35 13.834 9.439 24.469 1.00 0.00 H new ATOM 0 HH TYR A 35 13.776 9.841 22.303 1.00 0.00 H new ATOM 581 N ALA A 36 9.799 7.375 28.160 1.00 0.00 N ATOM 582 CA ALA A 36 10.304 5.990 28.199 1.00 0.00 C ATOM 583 C ALA A 36 9.227 4.979 27.778 1.00 0.00 C ATOM 584 O ALA A 36 9.458 4.157 26.880 1.00 0.00 O ATOM 585 CB ALA A 36 10.838 5.667 29.605 1.00 0.00 C ATOM 0 H ALA A 36 9.807 7.825 29.075 1.00 0.00 H new ATOM 0 HA ALA A 36 11.120 5.907 27.481 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.209 4.642 29.627 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.649 6.352 29.853 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.035 5.777 30.333 1.00 0.00 H new ATOM 591 N GLU A 37 8.041 5.061 28.405 1.00 0.00 N ATOM 592 CA GLU A 37 6.875 4.226 28.130 1.00 0.00 C ATOM 593 C GLU A 37 6.426 4.374 26.681 1.00 0.00 C ATOM 594 O GLU A 37 6.347 3.413 25.985 1.00 0.00 O ATOM 595 CB GLU A 37 5.709 4.597 29.086 1.00 0.00 C ATOM 596 CG GLU A 37 6.022 4.507 30.596 1.00 0.00 C ATOM 597 CD GLU A 37 6.308 3.087 31.102 1.00 0.00 C ATOM 598 OE1 GLU A 37 5.349 2.300 31.288 1.00 0.00 O ATOM 599 OE2 GLU A 37 7.489 2.747 31.325 1.00 0.00 O ATOM 0 H GLU A 37 7.869 5.741 29.146 1.00 0.00 H new ATOM 0 HA GLU A 37 7.158 3.187 28.298 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.389 5.614 28.861 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.865 3.942 28.870 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.884 5.137 30.814 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.179 4.915 31.154 1.00 0.00 H new ATOM 606 N LEU A 38 6.091 5.603 26.299 1.00 0.00 N ATOM 607 CA LEU A 38 5.672 5.943 24.924 1.00 0.00 C ATOM 608 C LEU A 38 6.690 5.479 23.832 1.00 0.00 C ATOM 609 O LEU A 38 6.283 5.204 22.713 1.00 0.00 O ATOM 610 CB LEU A 38 5.370 7.448 24.829 1.00 0.00 C ATOM 611 CG LEU A 38 4.284 7.969 25.828 1.00 0.00 C ATOM 612 CD1 LEU A 38 4.165 9.494 25.765 1.00 0.00 C ATOM 613 CD2 LEU A 38 2.915 7.288 25.623 1.00 0.00 C ATOM 0 H LEU A 38 6.100 6.403 26.932 1.00 0.00 H new ATOM 0 HA LEU A 38 4.760 5.385 24.713 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.294 8.000 25.000 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.046 7.675 23.813 1.00 0.00 H new ATOM 0 HG LEU A 38 4.618 7.696 26.829 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.403 9.829 26.469 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.123 9.945 26.025 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.884 9.796 24.756 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.199 7.687 26.342 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.560 7.483 24.611 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.018 6.213 25.771 1.00 0.00 H new ATOM 625 N GLU A 39 8.007 5.470 24.159 1.00 0.00 N ATOM 626 CA GLU A 39 9.063 4.832 23.304 1.00 0.00 C ATOM 627 C GLU A 39 8.889 3.294 23.213 1.00 0.00 C ATOM 628 O GLU A 39 9.193 2.690 22.188 1.00 0.00 O ATOM 629 CB GLU A 39 10.490 5.182 23.837 1.00 0.00 C ATOM 630 CG GLU A 39 10.978 6.625 23.550 1.00 0.00 C ATOM 631 CD GLU A 39 11.285 6.916 22.066 1.00 0.00 C ATOM 632 OE1 GLU A 39 10.346 7.179 21.286 1.00 0.00 O ATOM 633 OE2 GLU A 39 12.472 6.893 21.669 1.00 0.00 O ATOM 0 H GLU A 39 8.373 5.897 25.010 1.00 0.00 H new ATOM 0 HA GLU A 39 8.948 5.237 22.298 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.505 5.020 24.915 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.203 4.483 23.400 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.218 7.327 23.895 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.877 6.814 24.137 1.00 0.00 H new ATOM 640 N LYS A 40 8.451 2.693 24.326 1.00 0.00 N ATOM 641 CA LYS A 40 8.165 1.226 24.408 1.00 0.00 C ATOM 642 C LYS A 40 6.838 0.862 23.659 1.00 0.00 C ATOM 643 O LYS A 40 6.791 -0.103 22.891 1.00 0.00 O ATOM 644 CB LYS A 40 8.164 0.732 25.885 1.00 0.00 C ATOM 645 CG LYS A 40 9.520 0.940 26.600 1.00 0.00 C ATOM 646 CD LYS A 40 9.653 0.233 27.975 1.00 0.00 C ATOM 647 CE LYS A 40 8.860 0.899 29.112 1.00 0.00 C ATOM 648 NZ LYS A 40 7.392 0.674 29.023 1.00 0.00 N ATOM 0 H LYS A 40 8.281 3.192 25.199 1.00 0.00 H new ATOM 0 HA LYS A 40 8.971 0.698 23.898 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.386 1.259 26.437 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.908 -0.327 25.906 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.316 0.583 25.947 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.679 2.009 26.741 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.320 -0.800 27.872 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.706 0.202 28.253 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.221 0.518 30.067 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.056 1.971 29.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.965 0.789 29.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.974 1.364 28.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.209 -0.289 28.676 1.00 0.00 H new ATOM 662 N GLU A 41 5.774 1.626 23.968 1.00 0.00 N ATOM 663 CA GLU A 41 4.483 1.612 23.229 1.00 0.00 C ATOM 664 C GLU A 41 4.690 1.831 21.715 1.00 0.00 C ATOM 665 O GLU A 41 4.003 1.224 20.892 1.00 0.00 O ATOM 666 CB GLU A 41 3.536 2.718 23.788 1.00 0.00 C ATOM 667 CG GLU A 41 3.137 2.543 25.266 1.00 0.00 C ATOM 668 CD GLU A 41 2.432 1.201 25.557 1.00 0.00 C ATOM 669 OE1 GLU A 41 1.267 1.026 25.133 1.00 0.00 O ATOM 670 OE2 GLU A 41 3.038 0.319 26.211 1.00 0.00 O ATOM 0 H GLU A 41 5.780 2.283 24.749 1.00 0.00 H new ATOM 0 HA GLU A 41 4.032 0.630 23.372 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.023 3.686 23.670 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.630 2.741 23.182 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.030 2.618 25.887 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.478 3.361 25.556 1.00 0.00 H new ATOM 677 N LYS A 42 5.626 2.742 21.396 1.00 0.00 N ATOM 678 CA LYS A 42 6.059 2.994 20.009 1.00 0.00 C ATOM 679 C LYS A 42 6.731 1.722 19.464 1.00 0.00 C ATOM 680 O LYS A 42 6.316 1.203 18.458 1.00 0.00 O ATOM 681 CB LYS A 42 7.036 4.194 19.895 1.00 0.00 C ATOM 682 CG LYS A 42 7.590 4.433 18.469 1.00 0.00 C ATOM 683 CD LYS A 42 8.656 5.548 18.407 1.00 0.00 C ATOM 684 CE LYS A 42 8.084 6.934 18.714 1.00 0.00 C ATOM 685 NZ LYS A 42 9.140 7.984 18.734 1.00 0.00 N ATOM 0 H LYS A 42 6.102 3.322 22.087 1.00 0.00 H new ATOM 0 HA LYS A 42 5.176 3.250 19.423 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.524 5.097 20.229 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.873 4.032 20.574 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.022 3.505 18.095 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.765 4.691 17.805 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.452 5.323 19.117 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.107 5.558 17.415 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.333 7.190 17.966 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.578 6.911 19.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.927 8.676 19.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.063 7.544 18.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.168 8.466 17.813 1.00 0.00 H new ATOM 699 N ALA A 43 7.764 1.241 20.188 1.00 0.00 N ATOM 700 CA ALA A 43 8.586 0.052 19.828 1.00 0.00 C ATOM 701 C ALA A 43 7.724 -1.189 19.490 1.00 0.00 C ATOM 702 O ALA A 43 8.060 -1.946 18.570 1.00 0.00 O ATOM 703 CB ALA A 43 9.583 -0.280 20.954 1.00 0.00 C ATOM 0 H ALA A 43 8.062 1.675 21.062 1.00 0.00 H new ATOM 0 HA ALA A 43 9.138 0.314 18.925 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.174 -1.151 20.672 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.245 0.570 21.116 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.036 -0.494 21.872 1.00 0.00 H new ATOM 709 N THR A 44 6.609 -1.370 20.214 1.00 0.00 N ATOM 710 CA THR A 44 5.622 -2.439 20.035 1.00 0.00 C ATOM 711 C THR A 44 4.694 -2.136 18.859 1.00 0.00 C ATOM 712 O THR A 44 4.394 -3.026 18.077 1.00 0.00 O ATOM 713 CB THR A 44 4.794 -2.609 21.352 1.00 0.00 C ATOM 714 OG1 THR A 44 5.692 -2.826 22.457 1.00 0.00 O ATOM 715 CG2 THR A 44 3.790 -3.778 21.281 1.00 0.00 C ATOM 0 H THR A 44 6.361 -0.741 20.978 1.00 0.00 H new ATOM 0 HA THR A 44 6.147 -3.368 19.815 1.00 0.00 H new ATOM 0 HB THR A 44 4.219 -1.693 21.490 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.126 -1.981 22.697 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.245 -3.847 22.222 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.087 -3.605 20.466 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.328 -4.709 21.104 1.00 0.00 H new ATOM 723 N LEU A 45 4.184 -0.888 18.825 1.00 0.00 N ATOM 724 CA LEU A 45 3.383 -0.421 17.664 1.00 0.00 C ATOM 725 C LEU A 45 4.116 -0.706 16.349 1.00 0.00 C ATOM 726 O LEU A 45 3.520 -1.237 15.424 1.00 0.00 O ATOM 727 CB LEU A 45 2.988 1.088 17.737 1.00 0.00 C ATOM 728 CG LEU A 45 1.565 1.401 18.304 1.00 0.00 C ATOM 729 CD1 LEU A 45 1.254 2.908 18.219 1.00 0.00 C ATOM 730 CD2 LEU A 45 0.482 0.576 17.569 1.00 0.00 C ATOM 0 H LEU A 45 4.305 -0.197 19.566 1.00 0.00 H new ATOM 0 HA LEU A 45 2.453 -0.988 17.701 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.724 1.606 18.352 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.058 1.510 16.734 1.00 0.00 H new ATOM 0 HG LEU A 45 1.555 1.113 19.355 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.258 3.097 18.620 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.990 3.465 18.798 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.293 3.229 17.178 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.498 0.812 17.982 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.497 0.821 16.507 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.684 -0.487 17.699 1.00 0.00 H new ATOM 742 N GLU A 46 5.411 -0.361 16.303 1.00 0.00 N ATOM 743 CA GLU A 46 6.298 -0.646 15.186 1.00 0.00 C ATOM 744 C GLU A 46 6.371 -2.160 14.951 1.00 0.00 C ATOM 745 O GLU A 46 5.831 -2.622 13.956 1.00 0.00 O ATOM 746 CB GLU A 46 7.699 -0.041 15.425 1.00 0.00 C ATOM 747 CG GLU A 46 7.703 1.489 15.624 1.00 0.00 C ATOM 748 CD GLU A 46 9.114 2.069 15.808 1.00 0.00 C ATOM 749 OE1 GLU A 46 9.670 1.964 16.923 1.00 0.00 O ATOM 750 OE2 GLU A 46 9.674 2.620 14.837 1.00 0.00 O ATOM 0 H GLU A 46 5.873 0.136 17.064 1.00 0.00 H new ATOM 0 HA GLU A 46 5.895 -0.179 14.287 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.140 -0.511 16.304 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.338 -0.287 14.577 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.231 1.963 14.763 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.098 1.738 16.496 1.00 0.00 H new ATOM 757 N ALA A 47 7.077 -2.917 15.831 1.00 0.00 N ATOM 758 CA ALA A 47 7.127 -4.409 15.884 1.00 0.00 C ATOM 759 C ALA A 47 5.852 -5.107 15.334 1.00 0.00 C ATOM 760 O ALA A 47 5.969 -6.012 14.537 1.00 0.00 O ATOM 761 CB ALA A 47 7.399 -4.861 17.327 1.00 0.00 C ATOM 0 H ALA A 47 7.653 -2.489 16.556 1.00 0.00 H new ATOM 0 HA ALA A 47 7.939 -4.715 15.224 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.436 -5.950 17.366 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.353 -4.453 17.662 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.602 -4.501 17.977 1.00 0.00 H new ATOM 767 N GLU A 48 4.657 -4.653 15.751 1.00 0.00 N ATOM 768 CA GLU A 48 3.335 -5.063 15.229 1.00 0.00 C ATOM 769 C GLU A 48 3.189 -4.711 13.733 1.00 0.00 C ATOM 770 O GLU A 48 3.163 -5.579 12.892 1.00 0.00 O ATOM 771 CB GLU A 48 2.227 -4.344 16.069 1.00 0.00 C ATOM 772 CG GLU A 48 0.773 -4.621 15.640 1.00 0.00 C ATOM 773 CD GLU A 48 0.288 -6.042 15.999 1.00 0.00 C ATOM 774 OE1 GLU A 48 0.147 -6.342 17.207 1.00 0.00 O ATOM 775 OE2 GLU A 48 0.040 -6.863 15.091 1.00 0.00 O ATOM 0 H GLU A 48 4.579 -3.959 16.494 1.00 0.00 H new ATOM 0 HA GLU A 48 3.233 -6.145 15.318 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.340 -4.639 17.112 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.401 -3.269 16.021 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.117 -3.891 16.114 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.686 -4.477 14.563 1.00 0.00 H new ATOM 782 N ILE A 49 3.146 -3.405 13.477 1.00 0.00 N ATOM 783 CA ILE A 49 2.910 -2.864 12.108 1.00 0.00 C ATOM 784 C ILE A 49 4.090 -3.150 11.135 1.00 0.00 C ATOM 785 O ILE A 49 3.958 -2.908 9.947 1.00 0.00 O ATOM 786 CB ILE A 49 2.551 -1.326 12.088 1.00 0.00 C ATOM 787 CG1 ILE A 49 3.810 -0.457 12.404 1.00 0.00 C ATOM 788 CG2 ILE A 49 1.375 -1.015 13.053 1.00 0.00 C ATOM 789 CD1 ILE A 49 3.590 1.042 12.416 1.00 0.00 C ATOM 0 H ILE A 49 3.270 -2.687 14.191 1.00 0.00 H new ATOM 0 HA ILE A 49 2.034 -3.407 11.752 1.00 0.00 H new ATOM 0 HB ILE A 49 2.220 -1.065 11.083 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.200 -0.756 13.377 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.581 -0.686 11.668 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.149 0.051 13.019 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.495 -1.582 12.749 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.654 -1.295 14.069 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.529 1.546 12.646 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.235 1.365 11.438 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.848 1.295 13.173 1.00 0.00 H new ATOM 801 N ALA A 50 5.196 -3.755 11.606 1.00 0.00 N ATOM 802 CA ALA A 50 6.421 -4.014 10.822 1.00 0.00 C ATOM 803 C ALA A 50 6.557 -5.527 10.612 1.00 0.00 C ATOM 804 O ALA A 50 7.090 -5.977 9.616 1.00 0.00 O ATOM 805 CB ALA A 50 7.660 -3.439 11.537 1.00 0.00 C ATOM 0 H ALA A 50 5.266 -4.087 12.568 1.00 0.00 H new ATOM 0 HA ALA A 50 6.350 -3.519 9.854 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.550 -3.641 10.942 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.542 -2.362 11.659 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.764 -3.906 12.516 1.00 0.00 H new ATOM 811 N ARG A 51 6.120 -6.281 11.632 1.00 0.00 N ATOM 812 CA ARG A 51 5.799 -7.721 11.518 1.00 0.00 C ATOM 813 C ARG A 51 4.735 -7.869 10.415 1.00 0.00 C ATOM 814 O ARG A 51 4.883 -8.639 9.485 1.00 0.00 O ATOM 815 CB ARG A 51 5.279 -8.332 12.846 1.00 0.00 C ATOM 816 CG ARG A 51 5.141 -9.868 12.835 1.00 0.00 C ATOM 817 CD ARG A 51 6.496 -10.574 12.692 1.00 0.00 C ATOM 818 NE ARG A 51 6.355 -12.035 12.646 1.00 0.00 N ATOM 819 CZ ARG A 51 7.362 -12.912 12.736 1.00 0.00 C ATOM 820 NH1 ARG A 51 8.619 -12.509 12.885 1.00 0.00 N ATOM 821 NH2 ARG A 51 7.100 -14.203 12.675 1.00 0.00 N ATOM 0 H ARG A 51 5.976 -5.909 12.571 1.00 0.00 H new ATOM 0 HA ARG A 51 6.711 -8.266 11.274 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.956 -8.047 13.651 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.307 -7.895 13.076 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.660 -10.194 13.757 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.490 -10.166 12.013 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.990 -10.229 11.784 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.138 -10.298 13.528 1.00 0.00 H new ATOM 0 HE ARG A 51 5.414 -12.412 12.537 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.833 -11.513 12.933 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.370 -13.196 12.951 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.138 -14.523 12.560 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.859 -14.881 12.742 1.00 0.00 H new ATOM 835 N LEU A 52 3.702 -7.047 10.549 1.00 0.00 N ATOM 836 CA LEU A 52 2.596 -6.926 9.593 1.00 0.00 C ATOM 837 C LEU A 52 3.102 -6.468 8.220 1.00 0.00 C ATOM 838 O LEU A 52 2.643 -6.986 7.204 1.00 0.00 O ATOM 839 CB LEU A 52 1.468 -5.990 10.144 1.00 0.00 C ATOM 840 CG LEU A 52 0.295 -6.706 10.894 1.00 0.00 C ATOM 841 CD1 LEU A 52 -0.598 -7.484 9.903 1.00 0.00 C ATOM 842 CD2 LEU A 52 0.822 -7.640 12.006 1.00 0.00 C ATOM 0 H LEU A 52 3.603 -6.424 11.350 1.00 0.00 H new ATOM 0 HA LEU A 52 2.155 -7.914 9.462 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.921 -5.267 10.823 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.050 -5.426 9.310 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.312 -5.935 11.369 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.406 -7.973 10.448 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.019 -6.793 9.173 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.000 -8.236 9.388 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.019 -8.121 12.506 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.466 -8.401 11.567 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.391 -7.058 12.731 1.00 0.00 H new ATOM 854 N ARG A 53 4.042 -5.503 8.167 1.00 0.00 N ATOM 855 CA ARG A 53 4.639 -5.049 6.894 1.00 0.00 C ATOM 856 C ARG A 53 5.969 -5.774 6.546 1.00 0.00 C ATOM 857 O ARG A 53 6.670 -5.324 5.664 1.00 0.00 O ATOM 858 CB ARG A 53 4.802 -3.508 6.913 1.00 0.00 C ATOM 859 CG ARG A 53 3.456 -2.727 6.903 1.00 0.00 C ATOM 860 CD ARG A 53 3.642 -1.209 7.072 1.00 0.00 C ATOM 861 NE ARG A 53 4.330 -0.601 5.917 1.00 0.00 N ATOM 862 CZ ARG A 53 5.427 0.168 5.967 1.00 0.00 C ATOM 863 NH1 ARG A 53 6.062 0.384 7.111 1.00 0.00 N ATOM 864 NH2 ARG A 53 5.898 0.702 4.853 1.00 0.00 N ATOM 0 H ARG A 53 4.404 -5.023 8.991 1.00 0.00 H new ATOM 0 HA ARG A 53 3.952 -5.321 6.092 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.368 -3.224 7.800 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.392 -3.205 6.048 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.936 -2.922 5.965 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.819 -3.101 7.704 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.668 -0.737 7.202 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.215 -1.013 7.978 1.00 0.00 H new ATOM 0 HE ARG A 53 3.934 -0.783 4.995 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.717 -0.038 7.973 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.895 0.972 7.129 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.427 0.528 3.965 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.732 1.288 4.881 1.00 0.00 H new ATOM 878 N GLU A 54 6.318 -6.884 7.234 1.00 0.00 N ATOM 879 CA GLU A 54 7.307 -7.891 6.710 1.00 0.00 C ATOM 880 C GLU A 54 6.510 -9.082 6.153 1.00 0.00 C ATOM 881 O GLU A 54 6.961 -9.797 5.274 1.00 0.00 O ATOM 882 CB GLU A 54 8.351 -8.360 7.780 1.00 0.00 C ATOM 883 CG GLU A 54 7.828 -9.354 8.837 1.00 0.00 C ATOM 884 CD GLU A 54 8.872 -9.756 9.889 1.00 0.00 C ATOM 885 OE1 GLU A 54 9.152 -8.944 10.797 1.00 0.00 O ATOM 886 OE2 GLU A 54 9.423 -10.881 9.812 1.00 0.00 O ATOM 0 H GLU A 54 5.939 -7.117 8.152 1.00 0.00 H new ATOM 0 HA GLU A 54 7.902 -7.418 5.929 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.193 -8.819 7.262 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.736 -7.480 8.295 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.970 -8.912 9.343 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.473 -10.252 8.332 1.00 0.00 H new ATOM 893 N VAL A 55 5.294 -9.229 6.696 1.00 0.00 N ATOM 894 CA VAL A 55 4.269 -10.088 6.083 1.00 0.00 C ATOM 895 C VAL A 55 3.939 -9.448 4.714 1.00 0.00 C ATOM 896 O VAL A 55 3.863 -10.128 3.693 1.00 0.00 O ATOM 897 CB VAL A 55 2.975 -10.271 6.974 1.00 0.00 C ATOM 898 CG1 VAL A 55 1.883 -11.071 6.235 1.00 0.00 C ATOM 899 CG2 VAL A 55 3.308 -10.967 8.315 1.00 0.00 C ATOM 0 H VAL A 55 4.996 -8.767 7.555 1.00 0.00 H new ATOM 0 HA VAL A 55 4.654 -11.102 5.974 1.00 0.00 H new ATOM 0 HB VAL A 55 2.594 -9.271 7.180 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.010 -11.176 6.879 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.600 -10.544 5.323 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.266 -12.059 5.979 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.397 -11.078 8.904 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.735 -11.951 8.118 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.027 -10.364 8.869 1.00 0.00 H new ATOM 909 N HIS A 56 3.819 -8.095 4.736 1.00 0.00 N ATOM 910 CA HIS A 56 3.761 -7.283 3.497 1.00 0.00 C ATOM 911 C HIS A 56 5.153 -6.738 3.040 1.00 0.00 C ATOM 912 O HIS A 56 5.261 -5.576 2.627 1.00 0.00 O ATOM 913 CB HIS A 56 2.755 -6.106 3.705 1.00 0.00 C ATOM 914 CG HIS A 56 1.308 -6.512 3.867 1.00 0.00 C ATOM 915 ND1 HIS A 56 0.302 -6.062 3.036 1.00 0.00 N ATOM 916 CD2 HIS A 56 0.698 -7.297 4.791 1.00 0.00 C ATOM 917 CE1 HIS A 56 -0.858 -6.542 3.449 1.00 0.00 C ATOM 918 NE2 HIS A 56 -0.643 -7.294 4.510 1.00 0.00 N ATOM 0 H HIS A 56 3.761 -7.548 5.595 1.00 0.00 H new ATOM 0 HA HIS A 56 3.423 -7.940 2.696 1.00 0.00 H new ATOM 0 HB2 HIS A 56 3.058 -5.543 4.588 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.832 -5.430 2.854 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.181 -7.827 5.599 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.819 -6.351 2.994 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -1.360 -7.793 5.037 1.00 0.00 H new ATOM 927 N SER A 57 6.217 -7.567 3.106 1.00 0.00 N ATOM 928 CA SER A 57 7.527 -7.277 2.432 1.00 0.00 C ATOM 929 C SER A 57 8.136 -8.558 1.855 1.00 0.00 C ATOM 930 O SER A 57 8.617 -8.569 0.714 1.00 0.00 O ATOM 931 CB SER A 57 8.533 -6.572 3.364 1.00 0.00 C ATOM 932 OG SER A 57 8.195 -5.209 3.537 1.00 0.00 O ATOM 0 H SER A 57 6.206 -8.449 3.618 1.00 0.00 H new ATOM 0 HA SER A 57 7.313 -6.587 1.616 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.549 -7.072 4.332 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.537 -6.651 2.948 1.00 0.00 H new ATOM 0 HG SER A 57 7.447 -5.135 4.166 1.00 0.00 H new ATOM 938 N GLN A 58 8.150 -9.628 2.668 1.00 0.00 N ATOM 939 CA GLN A 58 8.398 -10.997 2.177 1.00 0.00 C ATOM 940 C GLN A 58 7.329 -11.315 1.120 1.00 0.00 C ATOM 941 O GLN A 58 7.615 -11.889 0.069 1.00 0.00 O ATOM 942 CB GLN A 58 8.318 -12.021 3.341 1.00 0.00 C ATOM 943 CG GLN A 58 9.269 -11.737 4.529 1.00 0.00 C ATOM 944 CD GLN A 58 8.893 -12.514 5.796 1.00 0.00 C ATOM 945 OE1 GLN A 58 8.393 -13.639 5.737 1.00 0.00 O ATOM 946 NE2 GLN A 58 9.089 -11.898 6.952 1.00 0.00 N ATOM 0 H GLN A 58 7.992 -9.572 3.674 1.00 0.00 H new ATOM 0 HA GLN A 58 9.397 -11.064 1.746 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.294 -12.046 3.713 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.539 -13.013 2.948 1.00 0.00 H new ATOM 0 HG2 GLN A 58 10.288 -11.994 4.241 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.259 -10.669 4.748 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.505 -10.967 6.970 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.824 -12.355 7.825 1.00 0.00 H new ATOM 955 N LYS A 59 6.079 -10.904 1.436 1.00 0.00 N ATOM 956 CA LYS A 59 4.960 -10.924 0.500 1.00 0.00 C ATOM 957 C LYS A 59 4.379 -9.498 0.415 1.00 0.00 C ATOM 958 O LYS A 59 3.340 -9.227 1.019 1.00 0.00 O ATOM 959 CB LYS A 59 3.861 -11.977 0.909 1.00 0.00 C ATOM 960 CG LYS A 59 4.343 -13.455 1.021 1.00 0.00 C ATOM 961 CD LYS A 59 5.082 -13.763 2.353 1.00 0.00 C ATOM 962 CE LYS A 59 5.725 -15.163 2.394 1.00 0.00 C ATOM 963 NZ LYS A 59 4.724 -16.256 2.349 1.00 0.00 N ATOM 0 H LYS A 59 5.830 -10.548 2.359 1.00 0.00 H new ATOM 0 HA LYS A 59 5.316 -11.237 -0.481 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.439 -11.679 1.869 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.053 -11.933 0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.483 -14.118 0.930 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.007 -13.677 0.186 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.856 -13.012 2.511 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.377 -13.672 3.179 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.409 -15.268 1.552 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.320 -15.258 3.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.211 -17.174 2.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.085 -16.176 3.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.172 -16.186 1.470 1.00 0.00 H new ATOM 977 N LEU A 60 5.103 -8.592 -0.322 1.00 0.00 N ATOM 978 CA LEU A 60 4.802 -7.118 -0.429 1.00 0.00 C ATOM 979 C LEU A 60 3.288 -6.866 -0.573 1.00 0.00 C ATOM 980 O LEU A 60 2.658 -6.194 0.259 1.00 0.00 O ATOM 981 CB LEU A 60 5.602 -6.484 -1.634 1.00 0.00 C ATOM 982 CG LEU A 60 5.667 -4.896 -1.776 1.00 0.00 C ATOM 983 CD1 LEU A 60 6.808 -4.459 -2.738 1.00 0.00 C ATOM 984 CD2 LEU A 60 4.331 -4.266 -2.255 1.00 0.00 C ATOM 0 H LEU A 60 5.922 -8.867 -0.865 1.00 0.00 H new ATOM 0 HA LEU A 60 5.126 -6.634 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.627 -6.850 -1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.174 -6.878 -2.556 1.00 0.00 H new ATOM 0 HG LEU A 60 5.868 -4.526 -0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.825 -3.372 -2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.764 -4.811 -2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.636 -4.888 -3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.445 -3.185 -2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.067 -4.672 -3.232 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.542 -4.499 -1.540 1.00 0.00 H new ATOM 996 N SER A 61 2.740 -7.421 -1.646 1.00 0.00 N ATOM 997 CA SER A 61 1.300 -7.432 -1.931 1.00 0.00 C ATOM 998 C SER A 61 1.016 -8.669 -2.784 1.00 0.00 C ATOM 999 O SER A 61 1.963 -9.284 -3.282 1.00 0.00 O ATOM 1000 CB SER A 61 0.867 -6.124 -2.645 1.00 0.00 C ATOM 1001 OG SER A 61 -0.546 -5.997 -2.689 1.00 0.00 O ATOM 0 H SER A 61 3.293 -7.889 -2.364 1.00 0.00 H new ATOM 0 HA SER A 61 0.722 -7.478 -1.008 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.294 -5.266 -2.125 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.266 -6.113 -3.659 1.00 0.00 H new ATOM 0 HG SER A 61 -0.785 -5.162 -3.143 1.00 0.00 H new ATOM 1007 N LYS A 62 -0.267 -9.045 -2.946 1.00 0.00 N ATOM 1008 CA LYS A 62 -0.632 -10.277 -3.672 1.00 0.00 C ATOM 1009 C LYS A 62 -0.205 -10.198 -5.155 1.00 0.00 C ATOM 1010 O LYS A 62 0.623 -11.012 -5.593 1.00 0.00 O ATOM 1011 CB LYS A 62 -2.147 -10.588 -3.519 1.00 0.00 C ATOM 1012 CG LYS A 62 -2.567 -10.987 -2.081 1.00 0.00 C ATOM 1013 CD LYS A 62 -4.067 -11.375 -1.941 1.00 0.00 C ATOM 1014 CE LYS A 62 -5.044 -10.181 -2.063 1.00 0.00 C ATOM 1015 NZ LYS A 62 -5.157 -9.651 -3.446 1.00 0.00 N ATOM 0 H LYS A 62 -1.063 -8.518 -2.587 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.086 -11.107 -3.225 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.720 -9.712 -3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.412 -11.396 -4.201 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.954 -11.827 -1.755 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.353 -10.156 -1.408 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.313 -12.111 -2.706 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.218 -11.856 -0.975 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.031 -10.492 -1.719 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.713 -9.381 -1.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.154 -9.443 -3.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.596 -8.780 -3.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.801 -10.359 -4.119 1.00 0.00 H new ATOM 1029 N GLU A 63 -0.774 -9.240 -5.929 1.00 0.00 N ATOM 1030 CA GLU A 63 -0.439 -9.023 -7.350 1.00 0.00 C ATOM 1031 C GLU A 63 1.061 -8.740 -7.526 1.00 0.00 C ATOM 1032 O GLU A 63 1.655 -9.274 -8.434 1.00 0.00 O ATOM 1033 CB GLU A 63 -1.263 -7.861 -7.989 1.00 0.00 C ATOM 1034 CG GLU A 63 -1.075 -7.706 -9.520 1.00 0.00 C ATOM 1035 CD GLU A 63 -1.373 -9.002 -10.314 1.00 0.00 C ATOM 1036 OE1 GLU A 63 -2.563 -9.387 -10.414 1.00 0.00 O ATOM 1037 OE2 GLU A 63 -0.433 -9.645 -10.844 1.00 0.00 O ATOM 0 H GLU A 63 -1.482 -8.595 -5.578 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.700 -9.946 -7.868 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.320 -8.025 -7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.984 -6.925 -7.505 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.728 -6.911 -9.879 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.051 -7.393 -9.722 1.00 0.00 H new ATOM 1044 N ALA A 64 1.650 -7.909 -6.634 1.00 0.00 N ATOM 1045 CA ALA A 64 3.093 -7.538 -6.699 1.00 0.00 C ATOM 1046 C ALA A 64 3.988 -8.805 -6.649 1.00 0.00 C ATOM 1047 O ALA A 64 4.847 -9.004 -7.508 1.00 0.00 O ATOM 1048 CB ALA A 64 3.451 -6.567 -5.553 1.00 0.00 C ATOM 0 H ALA A 64 1.150 -7.479 -5.856 1.00 0.00 H new ATOM 0 HA ALA A 64 3.277 -7.032 -7.647 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.507 -6.306 -5.614 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.848 -5.663 -5.640 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.251 -7.046 -4.594 1.00 0.00 H new ATOM 1054 N GLN A 65 3.809 -9.562 -5.554 1.00 0.00 N ATOM 1055 CA GLN A 65 4.448 -10.898 -5.388 1.00 0.00 C ATOM 1056 C GLN A 65 4.317 -11.768 -6.653 1.00 0.00 C ATOM 1057 O GLN A 65 5.303 -12.374 -7.085 1.00 0.00 O ATOM 1058 CB GLN A 65 3.854 -11.662 -4.161 1.00 0.00 C ATOM 1059 CG GLN A 65 4.687 -11.523 -2.886 1.00 0.00 C ATOM 1060 CD GLN A 65 6.010 -12.305 -2.933 1.00 0.00 C ATOM 1061 OE1 GLN A 65 6.073 -13.459 -2.506 1.00 0.00 O ATOM 1062 NE2 GLN A 65 7.065 -11.695 -3.456 1.00 0.00 N ATOM 0 H GLN A 65 3.228 -9.280 -4.764 1.00 0.00 H new ATOM 0 HA GLN A 65 5.508 -10.712 -5.214 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.847 -11.293 -3.968 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.764 -12.719 -4.412 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.903 -10.468 -2.715 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.098 -11.870 -2.037 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.982 -10.739 -3.801 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.959 -12.182 -3.513 1.00 0.00 H new ATOM 1071 N LYS A 66 3.110 -11.818 -7.255 1.00 0.00 N ATOM 1072 CA LYS A 66 2.792 -12.543 -8.493 1.00 0.00 C ATOM 1073 C LYS A 66 3.560 -11.994 -9.701 1.00 0.00 C ATOM 1074 O LYS A 66 4.031 -12.785 -10.530 1.00 0.00 O ATOM 1075 CB LYS A 66 1.253 -12.510 -8.697 1.00 0.00 C ATOM 1076 CG LYS A 66 0.737 -12.980 -10.074 1.00 0.00 C ATOM 1077 CD LYS A 66 -0.806 -13.160 -10.090 1.00 0.00 C ATOM 1078 CE LYS A 66 -1.376 -13.306 -11.507 1.00 0.00 C ATOM 1079 NZ LYS A 66 -1.360 -12.008 -12.225 1.00 0.00 N ATOM 0 H LYS A 66 2.299 -11.332 -6.871 1.00 0.00 H new ATOM 0 HA LYS A 66 3.117 -13.579 -8.402 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.792 -13.131 -7.929 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.907 -11.489 -8.532 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.025 -12.255 -10.835 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.214 -13.924 -10.337 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.070 -14.041 -9.505 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.272 -12.303 -9.603 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.793 -14.040 -12.063 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.397 -13.684 -11.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.317 -12.179 -13.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.224 -11.475 -11.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.527 -11.459 -11.931 1.00 0.00 H new ATOM 1093 N LEU A 67 3.658 -10.650 -9.827 1.00 0.00 N ATOM 1094 CA LEU A 67 4.516 -9.987 -10.812 1.00 0.00 C ATOM 1095 C LEU A 67 5.949 -10.520 -10.746 1.00 0.00 C ATOM 1096 O LEU A 67 6.444 -11.056 -11.727 1.00 0.00 O ATOM 1097 CB LEU A 67 4.500 -8.438 -10.625 1.00 0.00 C ATOM 1098 CG LEU A 67 3.112 -7.735 -10.775 1.00 0.00 C ATOM 1099 CD1 LEU A 67 3.226 -6.207 -10.577 1.00 0.00 C ATOM 1100 CD2 LEU A 67 2.447 -8.073 -12.125 1.00 0.00 C ATOM 0 H LEU A 67 3.137 -9.999 -9.240 1.00 0.00 H new ATOM 0 HA LEU A 67 4.114 -10.214 -11.799 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.894 -8.209 -9.635 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.186 -7.999 -11.350 1.00 0.00 H new ATOM 0 HG LEU A 67 2.469 -8.123 -9.985 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.242 -5.751 -10.688 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.612 -5.997 -9.580 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.904 -5.793 -11.323 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.484 -7.567 -12.193 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.090 -7.742 -12.940 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.296 -9.150 -12.197 1.00 0.00 H new ATOM 1112 N MET A 68 6.641 -10.328 -9.615 1.00 0.00 N ATOM 1113 CA MET A 68 7.964 -10.870 -9.271 1.00 0.00 C ATOM 1114 C MET A 68 8.150 -12.369 -9.632 1.00 0.00 C ATOM 1115 O MET A 68 9.227 -12.755 -10.102 1.00 0.00 O ATOM 1116 CB MET A 68 8.201 -10.647 -7.753 1.00 0.00 C ATOM 1117 CG MET A 68 8.063 -9.180 -7.303 1.00 0.00 C ATOM 1118 SD MET A 68 7.913 -8.984 -5.507 1.00 0.00 S ATOM 1119 CE MET A 68 7.641 -7.212 -5.349 1.00 0.00 C ATOM 0 H MET A 68 6.266 -9.750 -8.863 1.00 0.00 H new ATOM 0 HA MET A 68 8.701 -10.338 -9.872 1.00 0.00 H new ATOM 0 HB2 MET A 68 7.492 -11.256 -7.192 1.00 0.00 H new ATOM 0 HB3 MET A 68 9.199 -11.002 -7.496 1.00 0.00 H new ATOM 0 HG2 MET A 68 8.931 -8.619 -7.650 1.00 0.00 H new ATOM 0 HG3 MET A 68 7.187 -8.742 -7.782 1.00 0.00 H new ATOM 0 HE1 MET A 68 7.532 -6.953 -4.296 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.491 -6.675 -5.769 1.00 0.00 H new ATOM 0 HE3 MET A 68 6.735 -6.934 -5.887 1.00 0.00 H new ATOM 1129 N LYS A 69 7.128 -13.218 -9.402 1.00 0.00 N ATOM 1130 CA LYS A 69 7.178 -14.659 -9.796 1.00 0.00 C ATOM 1131 C LYS A 69 6.362 -14.953 -11.090 1.00 0.00 C ATOM 1132 O LYS A 69 5.803 -16.051 -11.245 1.00 0.00 O ATOM 1133 CB LYS A 69 6.686 -15.539 -8.606 1.00 0.00 C ATOM 1134 CG LYS A 69 5.204 -15.335 -8.228 1.00 0.00 C ATOM 1135 CD LYS A 69 4.772 -16.105 -6.961 1.00 0.00 C ATOM 1136 CE LYS A 69 3.304 -15.824 -6.591 1.00 0.00 C ATOM 1137 NZ LYS A 69 2.865 -16.558 -5.376 1.00 0.00 N ATOM 0 H LYS A 69 6.257 -12.942 -8.948 1.00 0.00 H new ATOM 0 HA LYS A 69 8.213 -14.909 -10.028 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.842 -16.588 -8.858 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.303 -15.325 -7.733 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.021 -14.271 -8.076 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.579 -15.650 -9.064 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.907 -17.174 -7.122 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.417 -15.824 -6.128 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.173 -14.754 -6.430 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.664 -16.101 -7.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.870 -16.331 -5.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.962 -17.581 -5.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.455 -16.276 -4.568 1.00 0.00 H new ATOM 1151 N MET A 70 6.310 -13.983 -12.028 1.00 0.00 N ATOM 1152 CA MET A 70 5.729 -14.211 -13.375 1.00 0.00 C ATOM 1153 C MET A 70 6.664 -15.113 -14.195 1.00 0.00 C ATOM 1154 O MET A 70 7.887 -15.058 -14.003 1.00 0.00 O ATOM 1155 CB MET A 70 5.478 -12.887 -14.160 1.00 0.00 C ATOM 1156 CG MET A 70 4.185 -12.147 -13.804 1.00 0.00 C ATOM 1157 SD MET A 70 2.694 -13.099 -14.174 1.00 0.00 S ATOM 1158 CE MET A 70 1.444 -11.811 -14.160 1.00 0.00 C ATOM 0 H MET A 70 6.661 -13.037 -11.881 1.00 0.00 H new ATOM 0 HA MET A 70 4.761 -14.690 -13.225 1.00 0.00 H new ATOM 0 HB2 MET A 70 6.320 -12.217 -13.987 1.00 0.00 H new ATOM 0 HB3 MET A 70 5.465 -13.113 -15.226 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.196 -11.900 -12.742 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.151 -11.204 -14.350 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.501 -12.215 -14.528 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.310 -11.445 -13.142 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.761 -10.989 -14.802 1.00 0.00 H new ATOM 1168 N PRO A 71 6.110 -15.981 -15.090 1.00 0.00 N ATOM 1169 CA PRO A 71 6.924 -16.700 -16.077 1.00 0.00 C ATOM 1170 C PRO A 71 7.553 -15.737 -17.118 1.00 0.00 C ATOM 1171 O PRO A 71 8.780 -15.617 -17.175 1.00 0.00 O ATOM 1172 CB PRO A 71 5.928 -17.719 -16.710 1.00 0.00 C ATOM 1173 CG PRO A 71 4.575 -17.138 -16.462 1.00 0.00 C ATOM 1174 CD PRO A 71 4.679 -16.388 -15.156 1.00 0.00 C ATOM 0 HA PRO A 71 7.786 -17.200 -15.635 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.115 -17.844 -17.777 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.025 -18.703 -16.252 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.282 -16.471 -17.273 1.00 0.00 H new ATOM 0 HG3 PRO A 71 3.819 -17.921 -16.404 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.016 -15.523 -15.138 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.403 -17.018 -14.310 1.00 0.00 H new ATOM 1182 N PHE A 72 6.713 -15.062 -17.939 1.00 0.00 N ATOM 1183 CA PHE A 72 7.190 -14.258 -19.090 1.00 0.00 C ATOM 1184 C PHE A 72 7.142 -12.776 -18.672 1.00 0.00 C ATOM 1185 O PHE A 72 6.071 -12.303 -18.317 1.00 0.00 O ATOM 1186 CB PHE A 72 6.286 -14.496 -20.327 1.00 0.00 C ATOM 1187 CG PHE A 72 6.237 -15.947 -20.796 1.00 0.00 C ATOM 1188 CD1 PHE A 72 7.223 -16.460 -21.638 1.00 0.00 C ATOM 1189 CD2 PHE A 72 5.212 -16.795 -20.384 1.00 0.00 C ATOM 1190 CE1 PHE A 72 7.173 -17.769 -22.068 1.00 0.00 C ATOM 1191 CE2 PHE A 72 5.163 -18.102 -20.813 1.00 0.00 C ATOM 1192 CZ PHE A 72 6.149 -18.591 -21.648 1.00 0.00 C ATOM 0 H PHE A 72 5.699 -15.059 -17.825 1.00 0.00 H new ATOM 0 HA PHE A 72 8.205 -14.547 -19.361 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.274 -14.168 -20.092 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.641 -13.872 -21.148 1.00 0.00 H new ATOM 0 HD1 PHE A 72 8.036 -15.824 -21.957 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.446 -16.423 -19.720 1.00 0.00 H new ATOM 0 HE1 PHE A 72 7.934 -18.150 -22.733 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.354 -18.745 -20.497 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.118 -19.621 -21.973 1.00 0.00 H new ATOM 1202 N GLN A 73 8.269 -12.023 -18.700 1.00 0.00 N ATOM 1203 CA GLN A 73 8.323 -10.638 -18.150 1.00 0.00 C ATOM 1204 C GLN A 73 9.486 -9.828 -18.790 1.00 0.00 C ATOM 1205 O GLN A 73 10.339 -10.409 -19.471 1.00 0.00 O ATOM 1206 CB GLN A 73 8.476 -10.655 -16.591 1.00 0.00 C ATOM 1207 CG GLN A 73 9.839 -11.160 -16.050 1.00 0.00 C ATOM 1208 CD GLN A 73 10.102 -12.644 -16.322 1.00 0.00 C ATOM 1209 OE1 GLN A 73 10.693 -13.018 -17.341 1.00 0.00 O ATOM 1210 NE2 GLN A 73 9.643 -13.501 -15.426 1.00 0.00 N ATOM 0 H GLN A 73 9.152 -12.346 -19.095 1.00 0.00 H new ATOM 0 HA GLN A 73 7.381 -10.150 -18.400 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.311 -9.644 -16.218 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.687 -11.281 -16.175 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.638 -10.571 -16.500 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.880 -10.985 -14.975 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.159 -13.160 -14.595 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.773 -14.503 -15.566 1.00 0.00 H new ATOM 1219 N ARG A 74 9.502 -8.495 -18.512 1.00 0.00 N ATOM 1220 CA ARG A 74 10.591 -7.555 -18.943 1.00 0.00 C ATOM 1221 C ARG A 74 10.281 -6.103 -18.514 1.00 0.00 C ATOM 1222 O ARG A 74 9.391 -5.869 -17.721 1.00 0.00 O ATOM 1223 CB ARG A 74 10.845 -7.608 -20.494 1.00 0.00 C ATOM 1224 CG ARG A 74 9.703 -7.051 -21.382 1.00 0.00 C ATOM 1225 CD ARG A 74 10.048 -7.104 -22.881 1.00 0.00 C ATOM 1226 NE ARG A 74 9.064 -6.379 -23.715 1.00 0.00 N ATOM 1227 CZ ARG A 74 8.406 -6.877 -24.777 1.00 0.00 C ATOM 1228 NH1 ARG A 74 8.526 -8.156 -25.131 1.00 0.00 N ATOM 1229 NH2 ARG A 74 7.614 -6.080 -25.480 1.00 0.00 N ATOM 0 H ARG A 74 8.762 -8.035 -17.982 1.00 0.00 H new ATOM 0 HA ARG A 74 11.500 -7.888 -18.442 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.756 -7.051 -20.714 1.00 0.00 H new ATOM 0 HB3 ARG A 74 11.029 -8.644 -20.778 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.793 -7.623 -21.201 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.494 -6.020 -21.096 1.00 0.00 H new ATOM 0 HD2 ARG A 74 11.038 -6.676 -23.038 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.096 -8.144 -23.203 1.00 0.00 H new ATOM 0 HE ARG A 74 8.866 -5.411 -23.461 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.127 -8.780 -24.592 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.017 -8.511 -25.940 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.509 -5.101 -25.213 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.109 -6.446 -26.288 1.00 0.00 H new ATOM 1243 N ALA A 75 11.079 -5.140 -19.008 1.00 0.00 N ATOM 1244 CA ALA A 75 10.785 -3.693 -18.931 1.00 0.00 C ATOM 1245 C ALA A 75 10.700 -3.189 -20.378 1.00 0.00 C ATOM 1246 O ALA A 75 11.585 -3.520 -21.173 1.00 0.00 O ATOM 1247 CB ALA A 75 11.868 -2.961 -18.120 1.00 0.00 C ATOM 0 H ALA A 75 11.960 -5.345 -19.479 1.00 0.00 H new ATOM 0 HA ALA A 75 9.846 -3.500 -18.413 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.633 -1.898 -18.075 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.903 -3.368 -17.109 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.837 -3.098 -18.600 1.00 0.00 H new ATOM 1253 N ILE A 76 9.671 -2.400 -20.769 1.00 0.00 N ATOM 1254 CA ILE A 76 9.201 -2.248 -22.148 1.00 0.00 C ATOM 1255 C ILE A 76 9.840 -0.991 -22.793 1.00 0.00 C ATOM 1256 O ILE A 76 9.844 0.078 -22.175 1.00 0.00 O ATOM 1257 CB ILE A 76 7.638 -2.040 -22.143 1.00 0.00 C ATOM 1258 CG1 ILE A 76 6.891 -3.115 -21.269 1.00 0.00 C ATOM 1259 CG2 ILE A 76 7.087 -1.999 -23.583 1.00 0.00 C ATOM 1260 CD1 ILE A 76 6.973 -4.548 -21.778 1.00 0.00 C ATOM 0 H ILE A 76 9.136 -1.839 -20.106 1.00 0.00 H new ATOM 0 HA ILE A 76 9.476 -3.140 -22.710 1.00 0.00 H new ATOM 0 HB ILE A 76 7.443 -1.075 -21.676 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.299 -3.083 -20.259 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.841 -2.833 -21.198 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.007 -1.855 -23.555 1.00 0.00 H new ATOM 0 HG22 ILE A 76 7.549 -1.175 -24.126 1.00 0.00 H new ATOM 0 HG23 ILE A 76 7.315 -2.938 -24.087 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.426 -5.206 -21.103 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.536 -4.606 -22.775 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.017 -4.860 -21.821 1.00 0.00 H new ATOM 1272 N THR A 77 10.370 -1.133 -24.024 1.00 0.00 N ATOM 1273 CA THR A 77 10.913 -0.017 -24.841 1.00 0.00 C ATOM 1274 C THR A 77 9.799 0.964 -25.328 1.00 0.00 C ATOM 1275 O THR A 77 8.600 0.700 -25.171 1.00 0.00 O ATOM 1276 CB THR A 77 11.678 -0.592 -26.084 1.00 0.00 C ATOM 1277 OG1 THR A 77 10.792 -1.427 -26.847 1.00 0.00 O ATOM 1278 CG2 THR A 77 12.923 -1.401 -25.678 1.00 0.00 C ATOM 0 H THR A 77 10.436 -2.038 -24.490 1.00 0.00 H new ATOM 0 HA THR A 77 11.593 0.547 -24.203 1.00 0.00 H new ATOM 0 HB THR A 77 12.015 0.253 -26.684 1.00 0.00 H new ATOM 0 HG1 THR A 77 11.269 -1.785 -27.625 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.419 -1.779 -26.572 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.610 -0.759 -25.126 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.623 -2.239 -25.048 1.00 0.00 H new ATOM 1286 N LYS A 78 10.218 2.016 -26.069 1.00 0.00 N ATOM 1287 CA LYS A 78 9.334 3.147 -26.480 1.00 0.00 C ATOM 1288 C LYS A 78 8.728 2.840 -27.872 1.00 0.00 C ATOM 1289 O LYS A 78 7.708 3.412 -28.281 1.00 0.00 O ATOM 1290 CB LYS A 78 10.154 4.459 -26.527 1.00 0.00 C ATOM 1291 CG LYS A 78 10.676 4.953 -25.159 1.00 0.00 C ATOM 1292 CD LYS A 78 11.732 6.098 -25.256 1.00 0.00 C ATOM 1293 CE LYS A 78 11.251 7.362 -26.023 1.00 0.00 C ATOM 1294 NZ LYS A 78 11.339 7.221 -27.508 1.00 0.00 N ATOM 0 H LYS A 78 11.177 2.111 -26.402 1.00 0.00 H new ATOM 0 HA LYS A 78 8.527 3.266 -25.757 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.005 4.314 -27.193 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.535 5.241 -26.967 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.832 5.301 -24.564 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.117 4.111 -24.625 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.024 6.391 -24.248 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.625 5.710 -25.746 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.219 7.576 -25.746 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.849 8.218 -25.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.690 8.109 -27.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.992 6.447 -27.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.396 7.009 -27.893 1.00 0.00 H new ATOM 1308 N LYS A 79 9.407 1.903 -28.560 1.00 0.00 N ATOM 1309 CA LYS A 79 8.964 1.349 -29.841 1.00 0.00 C ATOM 1310 C LYS A 79 7.673 0.551 -29.625 1.00 0.00 C ATOM 1311 O LYS A 79 6.721 0.648 -30.416 1.00 0.00 O ATOM 1312 CB LYS A 79 10.052 0.477 -30.518 1.00 0.00 C ATOM 1313 CG LYS A 79 11.170 1.291 -31.203 1.00 0.00 C ATOM 1314 CD LYS A 79 12.099 0.401 -32.059 1.00 0.00 C ATOM 1315 CE LYS A 79 13.101 1.224 -32.890 1.00 0.00 C ATOM 1316 NZ LYS A 79 13.938 0.372 -33.782 1.00 0.00 N ATOM 0 H LYS A 79 10.289 1.508 -28.233 1.00 0.00 H new ATOM 0 HA LYS A 79 8.773 2.178 -30.522 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.499 -0.176 -29.768 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.578 -0.167 -31.259 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.723 2.059 -31.834 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.760 1.805 -30.444 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.646 -0.281 -31.407 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.495 -0.213 -32.727 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.557 1.951 -33.493 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.749 1.787 -32.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 14.595 0.973 -34.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.479 -0.305 -33.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.324 -0.147 -34.442 1.00 0.00 H new ATOM 1330 N GLU A 80 7.642 -0.210 -28.515 1.00 0.00 N ATOM 1331 CA GLU A 80 6.472 -0.989 -28.107 1.00 0.00 C ATOM 1332 C GLU A 80 5.436 -0.074 -27.415 1.00 0.00 C ATOM 1333 O GLU A 80 4.231 -0.344 -27.451 1.00 0.00 O ATOM 1334 CB GLU A 80 6.911 -2.126 -27.166 1.00 0.00 C ATOM 1335 CG GLU A 80 7.685 -3.269 -27.852 1.00 0.00 C ATOM 1336 CD GLU A 80 6.893 -3.927 -28.994 1.00 0.00 C ATOM 1337 OE1 GLU A 80 5.851 -4.560 -28.722 1.00 0.00 O ATOM 1338 OE2 GLU A 80 7.301 -3.811 -30.165 1.00 0.00 O ATOM 0 H GLU A 80 8.434 -0.298 -27.878 1.00 0.00 H new ATOM 0 HA GLU A 80 6.003 -1.425 -28.989 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.535 -1.706 -26.377 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.026 -2.543 -26.685 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.624 -2.880 -28.245 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.939 -4.026 -27.110 1.00 0.00 H new ATOM 1345 N GLN A 81 5.927 1.048 -26.848 1.00 0.00 N ATOM 1346 CA GLN A 81 5.024 2.070 -26.277 1.00 0.00 C ATOM 1347 C GLN A 81 4.303 2.920 -27.322 1.00 0.00 C ATOM 1348 O GLN A 81 3.246 3.477 -27.001 1.00 0.00 O ATOM 1349 CB GLN A 81 5.782 2.976 -25.267 1.00 0.00 C ATOM 1350 CG GLN A 81 6.224 2.253 -23.972 1.00 0.00 C ATOM 1351 CD GLN A 81 7.214 3.057 -23.127 1.00 0.00 C ATOM 1352 OE1 GLN A 81 7.195 4.284 -23.125 1.00 0.00 O ATOM 1353 NE2 GLN A 81 8.089 2.373 -22.407 1.00 0.00 N ATOM 0 H GLN A 81 6.920 1.267 -26.774 1.00 0.00 H new ATOM 0 HA GLN A 81 4.246 1.513 -25.755 1.00 0.00 H new ATOM 0 HB2 GLN A 81 6.663 3.389 -25.758 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.142 3.817 -25.000 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.342 2.032 -23.371 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.677 1.298 -24.236 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.081 1.353 -22.428 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.771 2.866 -21.831 1.00 0.00 H new ATOM 1362 N ALA A 82 4.845 3.051 -28.552 1.00 0.00 N ATOM 1363 CA ALA A 82 4.210 3.849 -29.621 1.00 0.00 C ATOM 1364 C ALA A 82 2.839 3.292 -30.031 1.00 0.00 C ATOM 1365 O ALA A 82 1.924 4.051 -30.369 1.00 0.00 O ATOM 1366 CB ALA A 82 5.149 3.890 -30.837 1.00 0.00 C ATOM 0 H ALA A 82 5.723 2.613 -28.829 1.00 0.00 H new ATOM 0 HA ALA A 82 4.040 4.855 -29.237 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.689 4.477 -31.632 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.096 4.347 -30.550 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.328 2.875 -31.192 1.00 0.00 H new ATOM 1372 N ASP A 83 2.715 1.952 -30.006 1.00 0.00 N ATOM 1373 CA ASP A 83 1.477 1.241 -30.372 1.00 0.00 C ATOM 1374 C ASP A 83 1.145 0.264 -29.228 1.00 0.00 C ATOM 1375 O ASP A 83 1.473 -0.936 -29.285 1.00 0.00 O ATOM 1376 CB ASP A 83 1.647 0.495 -31.729 1.00 0.00 C ATOM 1377 CG ASP A 83 2.231 1.365 -32.856 1.00 0.00 C ATOM 1378 OD1 ASP A 83 3.477 1.444 -32.985 1.00 0.00 O ATOM 1379 OD2 ASP A 83 1.453 1.982 -33.615 1.00 0.00 O ATOM 0 H ASP A 83 3.475 1.330 -29.730 1.00 0.00 H new ATOM 0 HA ASP A 83 0.657 1.946 -30.506 1.00 0.00 H new ATOM 0 HB2 ASP A 83 2.295 -0.368 -31.578 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.676 0.113 -32.045 1.00 0.00 H new ATOM 1384 N MET A 84 0.550 0.821 -28.158 1.00 0.00 N ATOM 1385 CA MET A 84 0.360 0.123 -26.875 1.00 0.00 C ATOM 1386 C MET A 84 -0.591 -1.100 -26.969 1.00 0.00 C ATOM 1387 O MET A 84 -0.368 -2.083 -26.244 1.00 0.00 O ATOM 1388 CB MET A 84 -0.116 1.132 -25.796 1.00 0.00 C ATOM 1389 CG MET A 84 -0.268 0.556 -24.378 1.00 0.00 C ATOM 1390 SD MET A 84 1.232 -0.227 -23.729 1.00 0.00 S ATOM 1391 CE MET A 84 2.338 1.147 -23.380 1.00 0.00 C ATOM 0 H MET A 84 0.186 1.774 -28.160 1.00 0.00 H new ATOM 0 HA MET A 84 1.327 -0.288 -26.586 1.00 0.00 H new ATOM 0 HB2 MET A 84 0.591 1.960 -25.760 1.00 0.00 H new ATOM 0 HB3 MET A 84 -1.075 1.545 -26.107 1.00 0.00 H new ATOM 0 HG2 MET A 84 -0.567 1.358 -23.703 1.00 0.00 H new ATOM 0 HG3 MET A 84 -1.075 -0.177 -24.380 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.313 0.762 -23.082 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.448 1.762 -24.273 1.00 0.00 H new ATOM 0 HE3 MET A 84 1.924 1.751 -22.573 1.00 0.00 H new ATOM 1401 N GLY A 85 -1.647 -1.081 -27.832 1.00 0.00 N ATOM 1402 CA GLY A 85 -2.533 -2.254 -27.971 1.00 0.00 C ATOM 1403 C GLY A 85 -1.849 -3.384 -28.729 1.00 0.00 C ATOM 1404 O GLY A 85 -1.855 -4.512 -28.284 1.00 0.00 O ATOM 0 H GLY A 85 -1.894 -0.287 -28.422 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.831 -2.605 -26.983 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.444 -1.963 -28.494 1.00 0.00 H new ATOM 1408 N LYS A 86 -1.246 -3.001 -29.874 1.00 0.00 N ATOM 1409 CA LYS A 86 -0.264 -3.865 -30.608 1.00 0.00 C ATOM 1410 C LYS A 86 0.748 -4.526 -29.633 1.00 0.00 C ATOM 1411 O LYS A 86 1.060 -5.723 -29.742 1.00 0.00 O ATOM 1412 CB LYS A 86 0.436 -3.017 -31.708 1.00 0.00 C ATOM 1413 CG LYS A 86 1.432 -3.754 -32.661 1.00 0.00 C ATOM 1414 CD LYS A 86 2.862 -3.915 -32.091 1.00 0.00 C ATOM 1415 CE LYS A 86 3.549 -2.572 -31.791 1.00 0.00 C ATOM 1416 NZ LYS A 86 4.875 -2.756 -31.160 1.00 0.00 N ATOM 0 H LYS A 86 -1.415 -2.100 -30.320 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.792 -4.687 -31.092 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.338 -2.556 -32.321 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.977 -2.208 -31.216 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.032 -4.742 -32.891 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.488 -3.206 -33.602 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.817 -4.505 -31.176 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.469 -4.475 -32.802 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.663 -2.009 -32.717 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.914 -1.979 -31.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.502 -1.974 -31.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.769 -2.766 -30.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.287 -3.658 -31.474 1.00 0.00 H new ATOM 1430 N LEU A 87 1.206 -3.675 -28.697 1.00 0.00 N ATOM 1431 CA LEU A 87 2.164 -4.163 -27.685 1.00 0.00 C ATOM 1432 C LEU A 87 1.479 -5.270 -26.831 1.00 0.00 C ATOM 1433 O LEU A 87 1.956 -6.410 -26.800 1.00 0.00 O ATOM 1434 CB LEU A 87 2.703 -3.035 -26.769 1.00 0.00 C ATOM 1435 CG LEU A 87 3.329 -3.481 -25.394 1.00 0.00 C ATOM 1436 CD1 LEU A 87 4.525 -4.459 -25.551 1.00 0.00 C ATOM 1437 CD2 LEU A 87 3.714 -2.259 -24.547 1.00 0.00 C ATOM 0 H LEU A 87 0.945 -2.692 -28.618 1.00 0.00 H new ATOM 0 HA LEU A 87 3.027 -4.567 -28.214 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.459 -2.479 -27.323 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.886 -2.344 -26.563 1.00 0.00 H new ATOM 0 HG LEU A 87 2.554 -4.039 -24.869 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.909 -4.726 -24.566 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.193 -5.360 -26.067 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.314 -3.979 -26.130 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.144 -2.592 -23.602 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.446 -1.658 -25.087 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.826 -1.659 -24.350 1.00 0.00 H new ATOM 1449 N LYS A 88 0.337 -4.937 -26.186 1.00 0.00 N ATOM 1450 CA LYS A 88 -0.250 -5.767 -25.112 1.00 0.00 C ATOM 1451 C LYS A 88 -1.130 -6.905 -25.691 1.00 0.00 C ATOM 1452 O LYS A 88 -1.465 -7.853 -24.965 1.00 0.00 O ATOM 1453 CB LYS A 88 -1.126 -4.894 -24.172 1.00 0.00 C ATOM 1454 CG LYS A 88 -0.398 -3.759 -23.419 1.00 0.00 C ATOM 1455 CD LYS A 88 -1.363 -3.002 -22.478 1.00 0.00 C ATOM 1456 CE LYS A 88 -0.677 -1.923 -21.635 1.00 0.00 C ATOM 1457 NZ LYS A 88 -1.636 -1.205 -20.757 1.00 0.00 N ATOM 0 H LYS A 88 -0.198 -4.094 -26.394 1.00 0.00 H new ATOM 0 HA LYS A 88 0.578 -6.206 -24.555 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.928 -4.453 -24.764 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.595 -5.547 -23.436 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.427 -4.174 -22.840 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.035 -3.062 -24.137 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.150 -2.540 -23.074 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.845 -3.719 -21.813 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.100 -2.381 -21.023 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.184 -1.208 -22.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.129 -0.484 -20.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.364 -0.745 -21.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.088 -1.882 -20.110 1.00 0.00 H new ATOM 1471 N LYS A 89 -1.503 -6.808 -26.996 1.00 0.00 N ATOM 1472 CA LYS A 89 -2.488 -7.753 -27.591 1.00 0.00 C ATOM 1473 C LYS A 89 -1.737 -9.041 -27.943 1.00 0.00 C ATOM 1474 O LYS A 89 -2.254 -10.139 -27.743 1.00 0.00 O ATOM 1475 CB LYS A 89 -3.244 -7.189 -28.847 1.00 0.00 C ATOM 1476 CG LYS A 89 -2.412 -7.072 -30.155 1.00 0.00 C ATOM 1477 CD LYS A 89 -3.218 -6.489 -31.338 1.00 0.00 C ATOM 1478 CE LYS A 89 -2.381 -6.385 -32.629 1.00 0.00 C ATOM 1479 NZ LYS A 89 -3.125 -5.742 -33.739 1.00 0.00 N ATOM 0 H LYS A 89 -1.147 -6.104 -27.642 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.272 -7.932 -26.855 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.104 -7.829 -29.045 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.632 -6.201 -28.598 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -1.543 -6.441 -29.970 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.038 -8.058 -30.430 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -4.090 -7.116 -31.524 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -3.589 -5.500 -31.069 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.475 -5.815 -32.425 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.068 -7.383 -32.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.519 -5.696 -34.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -3.977 -6.299 -33.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -3.402 -4.779 -33.459 1.00 0.00 H new ATOM 1493 N SER A 90 -0.515 -8.889 -28.520 1.00 0.00 N ATOM 1494 CA SER A 90 0.485 -9.962 -28.692 1.00 0.00 C ATOM 1495 C SER A 90 0.881 -10.639 -27.340 1.00 0.00 C ATOM 1496 O SER A 90 1.709 -11.559 -27.319 1.00 0.00 O ATOM 1497 CB SER A 90 1.741 -9.361 -29.356 1.00 0.00 C ATOM 1498 OG SER A 90 1.397 -8.615 -30.516 1.00 0.00 O ATOM 0 H SER A 90 -0.196 -7.992 -28.886 1.00 0.00 H new ATOM 0 HA SER A 90 0.042 -10.737 -29.317 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.259 -8.717 -28.646 1.00 0.00 H new ATOM 0 HB3 SER A 90 2.432 -10.160 -29.625 1.00 0.00 H new ATOM 0 HG SER A 90 1.299 -7.669 -30.279 1.00 0.00 H new ATOM 1504 N VAL A 91 0.305 -10.159 -26.216 1.00 0.00 N ATOM 1505 CA VAL A 91 0.445 -10.807 -24.901 1.00 0.00 C ATOM 1506 C VAL A 91 -0.916 -11.362 -24.406 1.00 0.00 C ATOM 1507 O VAL A 91 -0.943 -12.124 -23.438 1.00 0.00 O ATOM 1508 CB VAL A 91 1.009 -9.789 -23.830 1.00 0.00 C ATOM 1509 CG1 VAL A 91 1.745 -10.528 -22.698 1.00 0.00 C ATOM 1510 CG2 VAL A 91 1.912 -8.707 -24.474 1.00 0.00 C ATOM 0 H VAL A 91 -0.267 -9.315 -26.198 1.00 0.00 H new ATOM 0 HA VAL A 91 1.146 -11.633 -25.019 1.00 0.00 H new ATOM 0 HB VAL A 91 0.153 -9.272 -23.396 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.122 -9.804 -21.976 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.056 -11.211 -22.201 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.579 -11.093 -23.114 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.277 -8.030 -23.701 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.759 -9.186 -24.966 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.337 -8.143 -25.208 1.00 0.00 H new ATOM 1520 N ARG A 92 -2.032 -10.850 -25.014 1.00 0.00 N ATOM 1521 CA ARG A 92 -3.458 -11.202 -24.701 1.00 0.00 C ATOM 1522 C ARG A 92 -4.000 -10.293 -23.561 1.00 0.00 C ATOM 1523 O ARG A 92 -5.190 -10.317 -23.220 1.00 0.00 O ATOM 1524 CB ARG A 92 -3.631 -12.737 -24.412 1.00 0.00 C ATOM 1525 CG ARG A 92 -5.038 -13.222 -23.987 1.00 0.00 C ATOM 1526 CD ARG A 92 -5.042 -14.691 -23.520 1.00 0.00 C ATOM 1527 NE ARG A 92 -4.006 -14.935 -22.484 1.00 0.00 N ATOM 1528 CZ ARG A 92 -4.227 -15.373 -21.233 1.00 0.00 C ATOM 1529 NH1 ARG A 92 -5.461 -15.600 -20.786 1.00 0.00 N ATOM 1530 NH2 ARG A 92 -3.197 -15.563 -20.429 1.00 0.00 N ATOM 0 H ARG A 92 -1.962 -10.158 -25.760 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.069 -11.005 -25.582 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.342 -13.284 -25.309 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.927 -13.015 -23.628 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.409 -12.588 -23.182 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -5.726 -13.109 -24.825 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.024 -14.944 -23.121 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.866 -15.346 -24.373 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.037 -14.753 -22.746 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -6.262 -15.442 -21.397 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.605 -15.932 -19.832 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.250 -15.378 -20.760 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -3.348 -15.895 -19.476 1.00 0.00 H new ATOM 1544 N GLY A 93 -3.119 -9.419 -23.054 1.00 0.00 N ATOM 1545 CA GLY A 93 -3.427 -8.529 -21.939 1.00 0.00 C ATOM 1546 C GLY A 93 -2.283 -8.534 -20.961 1.00 0.00 C ATOM 1547 O GLY A 93 -2.296 -9.291 -19.985 1.00 0.00 O ATOM 0 H GLY A 93 -2.170 -9.314 -23.412 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.602 -7.517 -22.305 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.343 -8.852 -21.445 1.00 0.00 H new ATOM 1551 N LEU A 94 -1.264 -7.717 -21.240 1.00 0.00 N ATOM 1552 CA LEU A 94 -0.032 -7.593 -20.445 1.00 0.00 C ATOM 1553 C LEU A 94 -0.286 -6.754 -19.176 1.00 0.00 C ATOM 1554 O LEU A 94 -1.352 -6.149 -19.024 1.00 0.00 O ATOM 1555 CB LEU A 94 0.994 -6.922 -21.429 1.00 0.00 C ATOM 1556 CG LEU A 94 2.391 -6.431 -20.944 1.00 0.00 C ATOM 1557 CD1 LEU A 94 3.244 -7.570 -20.375 1.00 0.00 C ATOM 1558 CD2 LEU A 94 3.137 -5.710 -22.097 1.00 0.00 C ATOM 0 H LEU A 94 -1.271 -7.101 -22.053 1.00 0.00 H new ATOM 0 HA LEU A 94 0.344 -8.547 -20.075 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.172 -7.635 -22.235 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.492 -6.061 -21.870 1.00 0.00 H new ATOM 0 HG LEU A 94 2.223 -5.725 -20.131 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.207 -7.176 -20.051 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.731 -8.019 -19.525 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.401 -8.326 -21.144 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.112 -5.372 -21.745 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.272 -6.399 -22.930 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.553 -4.851 -22.427 1.00 0.00 H new ATOM 1570 N VAL A 95 0.705 -6.716 -18.274 1.00 0.00 N ATOM 1571 CA VAL A 95 0.705 -5.901 -17.050 1.00 0.00 C ATOM 1572 C VAL A 95 1.869 -4.920 -17.209 1.00 0.00 C ATOM 1573 O VAL A 95 2.963 -5.359 -17.518 1.00 0.00 O ATOM 1574 CB VAL A 95 0.895 -6.755 -15.743 1.00 0.00 C ATOM 1575 CG1 VAL A 95 0.774 -5.870 -14.480 1.00 0.00 C ATOM 1576 CG2 VAL A 95 -0.103 -7.938 -15.711 1.00 0.00 C ATOM 0 H VAL A 95 1.556 -7.269 -18.379 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.258 -5.403 -16.935 1.00 0.00 H new ATOM 0 HB VAL A 95 1.901 -7.174 -15.750 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.909 -6.485 -13.590 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.539 -5.094 -14.505 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.212 -5.406 -14.454 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.046 -8.515 -14.798 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.123 -7.554 -15.735 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.064 -8.579 -16.577 1.00 0.00 H new ATOM 1586 N VAL A 96 1.625 -3.608 -17.039 1.00 0.00 N ATOM 1587 CA VAL A 96 2.631 -2.540 -17.310 1.00 0.00 C ATOM 1588 C VAL A 96 2.600 -1.524 -16.143 1.00 0.00 C ATOM 1589 O VAL A 96 1.528 -1.051 -15.757 1.00 0.00 O ATOM 1590 CB VAL A 96 2.402 -1.806 -18.699 1.00 0.00 C ATOM 1591 CG1 VAL A 96 3.460 -0.701 -18.960 1.00 0.00 C ATOM 1592 CG2 VAL A 96 2.397 -2.814 -19.872 1.00 0.00 C ATOM 0 H VAL A 96 0.729 -3.248 -16.711 1.00 0.00 H new ATOM 0 HA VAL A 96 3.611 -3.011 -17.381 1.00 0.00 H new ATOM 0 HB VAL A 96 1.424 -1.328 -18.638 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.262 -0.228 -19.922 1.00 0.00 H new ATOM 0 HG12 VAL A 96 3.407 0.047 -18.169 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.455 -1.146 -18.973 1.00 0.00 H new ATOM 0 HG21 VAL A 96 2.238 -2.281 -20.809 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.354 -3.335 -19.908 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.595 -3.538 -19.726 1.00 0.00 H new ATOM 1602 N VAL A 97 3.791 -1.196 -15.596 1.00 0.00 N ATOM 1603 CA VAL A 97 3.958 -0.390 -14.363 1.00 0.00 C ATOM 1604 C VAL A 97 4.977 0.738 -14.656 1.00 0.00 C ATOM 1605 O VAL A 97 6.083 0.461 -15.126 1.00 0.00 O ATOM 1606 CB VAL A 97 4.463 -1.276 -13.149 1.00 0.00 C ATOM 1607 CG1 VAL A 97 4.496 -0.464 -11.832 1.00 0.00 C ATOM 1608 CG2 VAL A 97 3.613 -2.568 -12.971 1.00 0.00 C ATOM 0 H VAL A 97 4.679 -1.488 -16.004 1.00 0.00 H new ATOM 0 HA VAL A 97 2.992 0.028 -14.078 1.00 0.00 H new ATOM 0 HB VAL A 97 5.481 -1.582 -13.390 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.847 -1.101 -11.020 1.00 0.00 H new ATOM 0 HG12 VAL A 97 5.171 0.385 -11.945 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.494 -0.102 -11.602 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.996 -3.142 -12.128 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.574 -2.297 -12.783 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.673 -3.170 -13.877 1.00 0.00 H new ATOM 1618 N HIS A 98 4.600 2.000 -14.382 1.00 0.00 N ATOM 1619 CA HIS A 98 5.397 3.186 -14.769 1.00 0.00 C ATOM 1620 C HIS A 98 6.376 3.573 -13.615 1.00 0.00 C ATOM 1621 O HIS A 98 6.033 3.388 -12.438 1.00 0.00 O ATOM 1622 CB HIS A 98 4.416 4.338 -15.105 1.00 0.00 C ATOM 1623 CG HIS A 98 5.049 5.597 -15.639 1.00 0.00 C ATOM 1624 ND1 HIS A 98 5.508 6.589 -14.802 1.00 0.00 N ATOM 1625 CD2 HIS A 98 5.287 5.962 -16.922 1.00 0.00 C ATOM 1626 CE1 HIS A 98 6.002 7.523 -15.594 1.00 0.00 C ATOM 1627 NE2 HIS A 98 5.888 7.188 -16.878 1.00 0.00 N ATOM 0 H HIS A 98 3.738 2.230 -13.888 1.00 0.00 H new ATOM 0 HA HIS A 98 6.007 2.973 -15.647 1.00 0.00 H new ATOM 0 HB2 HIS A 98 3.696 3.976 -15.838 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.855 4.588 -14.204 1.00 0.00 H new ATOM 0 HD2 HIS A 98 5.048 5.393 -17.808 1.00 0.00 H new ATOM 0 HE1 HIS A 98 6.444 8.444 -15.244 1.00 0.00 H new ATOM 0 HE2 HIS A 98 6.192 7.743 -17.678 1.00 0.00 H new ATOM 1635 N PRO A 99 7.620 4.083 -13.924 1.00 0.00 N ATOM 1636 CA PRO A 99 8.609 4.492 -12.889 1.00 0.00 C ATOM 1637 C PRO A 99 8.118 5.630 -11.964 1.00 0.00 C ATOM 1638 O PRO A 99 8.213 5.523 -10.742 1.00 0.00 O ATOM 1639 CB PRO A 99 9.840 4.953 -13.726 1.00 0.00 C ATOM 1640 CG PRO A 99 9.300 5.251 -15.087 1.00 0.00 C ATOM 1641 CD PRO A 99 8.191 4.253 -15.293 1.00 0.00 C ATOM 0 HA PRO A 99 8.817 3.672 -12.202 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.307 5.834 -13.286 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.602 4.175 -13.767 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.927 6.273 -15.149 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.072 5.146 -15.850 1.00 0.00 H new ATOM 0 HD2 PRO A 99 7.445 4.621 -15.997 1.00 0.00 H new ATOM 0 HD3 PRO A 99 8.567 3.311 -15.691 1.00 0.00 H new ATOM 1649 N MET A 100 7.584 6.700 -12.573 1.00 0.00 N ATOM 1650 CA MET A 100 7.276 7.958 -11.850 1.00 0.00 C ATOM 1651 C MET A 100 5.865 7.955 -11.255 1.00 0.00 C ATOM 1652 O MET A 100 5.463 8.916 -10.598 1.00 0.00 O ATOM 1653 CB MET A 100 7.507 9.175 -12.773 1.00 0.00 C ATOM 1654 CG MET A 100 8.939 9.260 -13.316 1.00 0.00 C ATOM 1655 SD MET A 100 9.254 10.773 -14.251 1.00 0.00 S ATOM 1656 CE MET A 100 8.150 10.575 -15.653 1.00 0.00 C ATOM 0 H MET A 100 7.354 6.726 -13.566 1.00 0.00 H new ATOM 0 HA MET A 100 7.961 8.034 -11.005 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.811 9.125 -13.610 1.00 0.00 H new ATOM 0 HB3 MET A 100 7.279 10.088 -12.223 1.00 0.00 H new ATOM 0 HG2 MET A 100 9.641 9.202 -12.484 1.00 0.00 H new ATOM 0 HG3 MET A 100 9.130 8.398 -13.956 1.00 0.00 H new ATOM 0 HE1 MET A 100 8.378 11.330 -16.405 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.283 9.582 -16.083 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.118 10.692 -15.323 1.00 0.00 H new ATOM 1666 N THR A 101 5.120 6.871 -11.488 1.00 0.00 N ATOM 1667 CA THR A 101 3.904 6.559 -10.720 1.00 0.00 C ATOM 1668 C THR A 101 4.318 5.853 -9.421 1.00 0.00 C ATOM 1669 O THR A 101 5.335 5.154 -9.410 1.00 0.00 O ATOM 1670 CB THR A 101 2.917 5.649 -11.512 1.00 0.00 C ATOM 1671 OG1 THR A 101 3.548 4.406 -11.851 1.00 0.00 O ATOM 1672 CG2 THR A 101 2.403 6.312 -12.797 1.00 0.00 C ATOM 0 H THR A 101 5.339 6.185 -12.211 1.00 0.00 H new ATOM 0 HA THR A 101 3.384 7.494 -10.513 1.00 0.00 H new ATOM 0 HB THR A 101 2.063 5.476 -10.857 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.522 4.514 -11.819 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.720 5.634 -13.308 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.879 7.234 -12.546 1.00 0.00 H new ATOM 0 HG23 THR A 101 3.245 6.540 -13.451 1.00 0.00 H new ATOM 1680 N ALA A 102 3.504 6.004 -8.365 1.00 0.00 N ATOM 1681 CA ALA A 102 3.824 5.548 -6.998 1.00 0.00 C ATOM 1682 C ALA A 102 4.246 4.068 -6.912 1.00 0.00 C ATOM 1683 O ALA A 102 5.206 3.755 -6.217 1.00 0.00 O ATOM 1684 CB ALA A 102 2.624 5.807 -6.069 1.00 0.00 C ATOM 0 H ALA A 102 2.591 6.453 -8.435 1.00 0.00 H new ATOM 0 HA ALA A 102 4.690 6.127 -6.678 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.865 5.469 -5.061 1.00 0.00 H new ATOM 0 HB2 ALA A 102 2.402 6.874 -6.051 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.755 5.262 -6.437 1.00 0.00 H new ATOM 1690 N LEU A 103 3.464 3.183 -7.571 1.00 0.00 N ATOM 1691 CA LEU A 103 3.682 1.713 -7.502 1.00 0.00 C ATOM 1692 C LEU A 103 5.146 1.378 -7.929 1.00 0.00 C ATOM 1693 O LEU A 103 5.850 0.647 -7.225 1.00 0.00 O ATOM 1694 CB LEU A 103 2.656 0.902 -8.359 1.00 0.00 C ATOM 1695 CG LEU A 103 2.690 -0.659 -8.156 1.00 0.00 C ATOM 1696 CD1 LEU A 103 2.413 -1.042 -6.679 1.00 0.00 C ATOM 1697 CD2 LEU A 103 1.711 -1.397 -9.108 1.00 0.00 C ATOM 0 H LEU A 103 2.676 3.457 -8.157 1.00 0.00 H new ATOM 0 HA LEU A 103 3.521 1.409 -6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.653 1.259 -8.128 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.837 1.118 -9.412 1.00 0.00 H new ATOM 0 HG LEU A 103 3.698 -0.985 -8.411 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.443 -2.126 -6.572 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.172 -0.593 -6.038 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.429 -0.676 -6.387 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.771 -2.471 -8.930 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.693 -1.054 -8.921 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.980 -1.185 -10.143 1.00 0.00 H new ATOM 1709 N GLY A 104 5.606 1.970 -9.056 1.00 0.00 N ATOM 1710 CA GLY A 104 7.003 1.840 -9.507 1.00 0.00 C ATOM 1711 C GLY A 104 8.005 2.574 -8.618 1.00 0.00 C ATOM 1712 O GLY A 104 9.047 2.020 -8.264 1.00 0.00 O ATOM 0 H GLY A 104 5.025 2.543 -9.668 1.00 0.00 H new ATOM 0 HA2 GLY A 104 7.268 0.783 -9.542 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.084 2.223 -10.524 1.00 0.00 H new ATOM 1716 N ARG A 105 7.661 3.834 -8.287 1.00 0.00 N ATOM 1717 CA ARG A 105 8.428 4.669 -7.326 1.00 0.00 C ATOM 1718 C ARG A 105 8.786 3.872 -6.063 1.00 0.00 C ATOM 1719 O ARG A 105 9.900 3.996 -5.542 1.00 0.00 O ATOM 1720 CB ARG A 105 7.683 5.970 -6.900 1.00 0.00 C ATOM 1721 CG ARG A 105 7.634 7.079 -7.964 1.00 0.00 C ATOM 1722 CD ARG A 105 7.094 8.407 -7.401 1.00 0.00 C ATOM 1723 NE ARG A 105 7.167 9.497 -8.389 1.00 0.00 N ATOM 1724 CZ ARG A 105 8.256 10.242 -8.653 1.00 0.00 C ATOM 1725 NH1 ARG A 105 9.398 10.048 -8.004 1.00 0.00 N ATOM 1726 NH2 ARG A 105 8.196 11.186 -9.576 1.00 0.00 N ATOM 0 H ARG A 105 6.845 4.307 -8.675 1.00 0.00 H new ATOM 0 HA ARG A 105 9.332 4.961 -7.860 1.00 0.00 H new ATOM 0 HB2 ARG A 105 6.661 5.710 -6.623 1.00 0.00 H new ATOM 0 HB3 ARG A 105 8.164 6.368 -6.006 1.00 0.00 H new ATOM 0 HG2 ARG A 105 8.635 7.238 -8.366 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.005 6.756 -8.793 1.00 0.00 H new ATOM 0 HD2 ARG A 105 6.059 8.273 -7.086 1.00 0.00 H new ATOM 0 HD3 ARG A 105 7.664 8.683 -6.514 1.00 0.00 H new ATOM 0 HE ARG A 105 6.320 9.705 -8.918 1.00 0.00 H new ATOM 0 HH11 ARG A 105 9.462 9.323 -7.290 1.00 0.00 H new ATOM 0 HH12 ARG A 105 10.212 10.624 -8.220 1.00 0.00 H new ATOM 0 HH21 ARG A 105 7.327 11.347 -10.085 1.00 0.00 H new ATOM 0 HH22 ARG A 105 9.019 11.753 -9.780 1.00 0.00 H new ATOM 1740 N GLU A 106 7.836 3.053 -5.575 1.00 0.00 N ATOM 1741 CA GLU A 106 7.975 2.303 -4.328 1.00 0.00 C ATOM 1742 C GLU A 106 8.659 0.943 -4.577 1.00 0.00 C ATOM 1743 O GLU A 106 9.544 0.551 -3.813 1.00 0.00 O ATOM 1744 CB GLU A 106 6.574 2.115 -3.667 1.00 0.00 C ATOM 1745 CG GLU A 106 6.590 2.113 -2.127 1.00 0.00 C ATOM 1746 CD GLU A 106 7.094 3.453 -1.545 1.00 0.00 C ATOM 1747 OE1 GLU A 106 6.290 4.412 -1.455 1.00 0.00 O ATOM 1748 OE2 GLU A 106 8.294 3.569 -1.203 1.00 0.00 O ATOM 0 H GLU A 106 6.944 2.897 -6.045 1.00 0.00 H new ATOM 0 HA GLU A 106 8.610 2.868 -3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 106 5.914 2.912 -4.010 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.145 1.175 -4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.585 1.913 -1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 106 7.228 1.303 -1.773 1.00 0.00 H new ATOM 1755 N MET A 107 8.262 0.236 -5.678 1.00 0.00 N ATOM 1756 CA MET A 107 8.799 -1.126 -5.973 1.00 0.00 C ATOM 1757 C MET A 107 10.258 -0.997 -6.514 1.00 0.00 C ATOM 1758 O MET A 107 10.913 -2.005 -6.784 1.00 0.00 O ATOM 1759 CB MET A 107 7.908 -1.909 -7.007 1.00 0.00 C ATOM 1760 CG MET A 107 6.602 -2.527 -6.455 1.00 0.00 C ATOM 1761 SD MET A 107 5.597 -3.326 -7.739 1.00 0.00 S ATOM 1762 CE MET A 107 6.689 -4.613 -8.362 1.00 0.00 C ATOM 0 H MET A 107 7.587 0.579 -6.361 1.00 0.00 H new ATOM 0 HA MET A 107 8.789 -1.698 -5.045 1.00 0.00 H new ATOM 0 HB2 MET A 107 7.649 -1.230 -7.819 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.509 -2.709 -7.440 1.00 0.00 H new ATOM 0 HG2 MET A 107 6.850 -3.260 -5.687 1.00 0.00 H new ATOM 0 HG3 MET A 107 6.013 -1.747 -5.973 1.00 0.00 H new ATOM 0 HE1 MET A 107 6.118 -5.308 -8.978 1.00 0.00 H new ATOM 0 HE2 MET A 107 7.479 -4.161 -8.962 1.00 0.00 H new ATOM 0 HE3 MET A 107 7.133 -5.151 -7.524 1.00 0.00 H new ATOM 1772 N GLY A 108 10.734 0.263 -6.689 1.00 0.00 N ATOM 1773 CA GLY A 108 12.126 0.567 -7.045 1.00 0.00 C ATOM 1774 C GLY A 108 12.327 0.825 -8.530 1.00 0.00 C ATOM 1775 O GLY A 108 13.439 1.139 -8.960 1.00 0.00 O ATOM 0 H GLY A 108 10.152 1.094 -6.584 1.00 0.00 H new ATOM 0 HA2 GLY A 108 12.454 1.442 -6.484 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.761 -0.264 -6.739 1.00 0.00 H new ATOM 1779 N LEU A 109 11.240 0.700 -9.309 1.00 0.00 N ATOM 1780 CA LEU A 109 11.269 0.784 -10.775 1.00 0.00 C ATOM 1781 C LEU A 109 11.578 2.226 -11.233 1.00 0.00 C ATOM 1782 O LEU A 109 10.805 3.148 -10.970 1.00 0.00 O ATOM 1783 CB LEU A 109 9.911 0.303 -11.364 1.00 0.00 C ATOM 1784 CG LEU A 109 9.325 -1.024 -10.767 1.00 0.00 C ATOM 1785 CD1 LEU A 109 7.989 -1.405 -11.436 1.00 0.00 C ATOM 1786 CD2 LEU A 109 10.329 -2.194 -10.849 1.00 0.00 C ATOM 0 H LEU A 109 10.306 0.536 -8.932 1.00 0.00 H new ATOM 0 HA LEU A 109 12.062 0.134 -11.145 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.177 1.096 -11.222 1.00 0.00 H new ATOM 0 HB3 LEU A 109 10.032 0.170 -12.439 1.00 0.00 H new ATOM 0 HG LEU A 109 9.133 -0.831 -9.712 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.613 -2.329 -10.997 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.263 -0.607 -11.279 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.145 -1.548 -12.505 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.878 -3.091 -10.424 1.00 0.00 H new ATOM 0 HD22 LEU A 109 10.589 -2.378 -11.891 1.00 0.00 H new ATOM 0 HD23 LEU A 109 11.230 -1.940 -10.290 1.00 0.00 H new ATOM 1798 N GLU A 110 12.740 2.396 -11.877 1.00 0.00 N ATOM 1799 CA GLU A 110 13.173 3.662 -12.526 1.00 0.00 C ATOM 1800 C GLU A 110 13.039 3.550 -14.063 1.00 0.00 C ATOM 1801 O GLU A 110 13.552 4.380 -14.816 1.00 0.00 O ATOM 1802 CB GLU A 110 14.631 3.956 -12.107 1.00 0.00 C ATOM 1803 CG GLU A 110 15.619 2.814 -12.428 1.00 0.00 C ATOM 1804 CD GLU A 110 16.927 2.924 -11.638 1.00 0.00 C ATOM 1805 OE1 GLU A 110 16.944 2.530 -10.452 1.00 0.00 O ATOM 1806 OE2 GLU A 110 17.934 3.422 -12.185 1.00 0.00 O ATOM 0 H GLU A 110 13.427 1.648 -11.969 1.00 0.00 H new ATOM 0 HA GLU A 110 12.537 4.487 -12.204 1.00 0.00 H new ATOM 0 HB2 GLU A 110 14.966 4.864 -12.608 1.00 0.00 H new ATOM 0 HB3 GLU A 110 14.657 4.155 -11.036 1.00 0.00 H new ATOM 0 HG2 GLU A 110 15.146 1.857 -12.208 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.842 2.821 -13.495 1.00 0.00 H new ATOM 1813 N GLU A 111 12.285 2.527 -14.479 1.00 0.00 N ATOM 1814 CA GLU A 111 12.029 2.238 -15.907 1.00 0.00 C ATOM 1815 C GLU A 111 10.657 1.572 -16.055 1.00 0.00 C ATOM 1816 O GLU A 111 10.211 0.874 -15.128 1.00 0.00 O ATOM 1817 CB GLU A 111 13.160 1.331 -16.452 1.00 0.00 C ATOM 1818 CG GLU A 111 13.293 -0.024 -15.726 1.00 0.00 C ATOM 1819 CD GLU A 111 14.617 -0.729 -16.015 1.00 0.00 C ATOM 1820 OE1 GLU A 111 14.830 -1.164 -17.166 1.00 0.00 O ATOM 1821 OE2 GLU A 111 15.453 -0.862 -15.090 1.00 0.00 O ATOM 0 H GLU A 111 11.832 1.872 -13.841 1.00 0.00 H new ATOM 0 HA GLU A 111 12.020 3.162 -16.486 1.00 0.00 H new ATOM 0 HB2 GLU A 111 12.983 1.146 -17.512 1.00 0.00 H new ATOM 0 HB3 GLU A 111 14.107 1.865 -16.376 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.199 0.135 -14.652 1.00 0.00 H new ATOM 0 HG3 GLU A 111 12.470 -0.673 -16.025 1.00 0.00 H new ATOM 1828 N MET A 112 9.940 1.870 -17.170 1.00 0.00 N ATOM 1829 CA MET A 112 8.635 1.254 -17.461 1.00 0.00 C ATOM 1830 C MET A 112 8.802 -0.269 -17.586 1.00 0.00 C ATOM 1831 O MET A 112 9.520 -0.753 -18.448 1.00 0.00 O ATOM 1832 CB MET A 112 7.991 1.830 -18.755 1.00 0.00 C ATOM 1833 CG MET A 112 6.726 1.069 -19.227 1.00 0.00 C ATOM 1834 SD MET A 112 5.667 2.021 -20.338 1.00 0.00 S ATOM 1835 CE MET A 112 4.810 3.088 -19.179 1.00 0.00 C ATOM 0 H MET A 112 10.251 2.535 -17.878 1.00 0.00 H new ATOM 0 HA MET A 112 7.964 1.487 -16.635 1.00 0.00 H new ATOM 0 HB2 MET A 112 7.731 2.875 -18.584 1.00 0.00 H new ATOM 0 HB3 MET A 112 8.731 1.813 -19.555 1.00 0.00 H new ATOM 0 HG2 MET A 112 7.033 0.153 -19.731 1.00 0.00 H new ATOM 0 HG3 MET A 112 6.145 0.773 -18.353 1.00 0.00 H new ATOM 0 HE1 MET A 112 4.559 4.029 -19.668 1.00 0.00 H new ATOM 0 HE2 MET A 112 3.896 2.599 -18.842 1.00 0.00 H new ATOM 0 HE3 MET A 112 5.453 3.285 -18.321 1.00 0.00 H new ATOM 1845 N THR A 113 8.138 -0.966 -16.682 1.00 0.00 N ATOM 1846 CA THR A 113 8.229 -2.423 -16.550 1.00 0.00 C ATOM 1847 C THR A 113 6.957 -3.103 -17.081 1.00 0.00 C ATOM 1848 O THR A 113 5.892 -2.496 -17.071 1.00 0.00 O ATOM 1849 CB THR A 113 8.508 -2.808 -15.058 1.00 0.00 C ATOM 1850 OG1 THR A 113 9.530 -1.945 -14.521 1.00 0.00 O ATOM 1851 CG2 THR A 113 8.988 -4.263 -14.908 1.00 0.00 C ATOM 0 H THR A 113 7.508 -0.536 -16.004 1.00 0.00 H new ATOM 0 HA THR A 113 9.062 -2.781 -17.155 1.00 0.00 H new ATOM 0 HB THR A 113 7.567 -2.696 -14.519 1.00 0.00 H new ATOM 0 HG1 THR A 113 10.221 -2.487 -14.087 1.00 0.00 H new ATOM 0 HG21 THR A 113 9.168 -4.480 -13.855 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.225 -4.939 -15.293 1.00 0.00 H new ATOM 0 HG23 THR A 113 9.912 -4.401 -15.470 1.00 0.00 H new ATOM 1859 N GLY A 114 7.081 -4.342 -17.601 1.00 0.00 N ATOM 1860 CA GLY A 114 5.916 -5.207 -17.818 1.00 0.00 C ATOM 1861 C GLY A 114 6.089 -6.630 -17.300 1.00 0.00 C ATOM 1862 O GLY A 114 7.197 -7.056 -16.972 1.00 0.00 O ATOM 0 H GLY A 114 7.971 -4.758 -17.875 1.00 0.00 H new ATOM 0 HA2 GLY A 114 5.049 -4.759 -17.333 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.699 -5.245 -18.886 1.00 0.00 H new ATOM 1866 N PHE A 115 4.979 -7.399 -17.290 1.00 0.00 N ATOM 1867 CA PHE A 115 4.895 -8.735 -16.675 1.00 0.00 C ATOM 1868 C PHE A 115 3.692 -9.467 -17.301 1.00 0.00 C ATOM 1869 O PHE A 115 2.648 -8.822 -17.522 1.00 0.00 O ATOM 1870 CB PHE A 115 4.629 -8.640 -15.140 1.00 0.00 C ATOM 1871 CG PHE A 115 5.706 -7.973 -14.287 1.00 0.00 C ATOM 1872 CD1 PHE A 115 6.841 -8.673 -13.894 1.00 0.00 C ATOM 1873 CD2 PHE A 115 5.565 -6.651 -13.862 1.00 0.00 C ATOM 1874 CE1 PHE A 115 7.793 -8.086 -13.086 1.00 0.00 C ATOM 1875 CE2 PHE A 115 6.519 -6.060 -13.058 1.00 0.00 C ATOM 1876 CZ PHE A 115 7.640 -6.778 -12.673 1.00 0.00 C ATOM 0 H PHE A 115 4.102 -7.101 -17.718 1.00 0.00 H new ATOM 0 HA PHE A 115 5.838 -9.255 -16.844 1.00 0.00 H new ATOM 0 HB2 PHE A 115 3.696 -8.097 -14.991 1.00 0.00 H new ATOM 0 HB3 PHE A 115 4.474 -9.650 -14.760 1.00 0.00 H new ATOM 0 HD1 PHE A 115 6.980 -9.691 -14.226 1.00 0.00 H new ATOM 0 HD2 PHE A 115 4.698 -6.083 -14.166 1.00 0.00 H new ATOM 0 HE1 PHE A 115 8.660 -8.651 -12.776 1.00 0.00 H new ATOM 0 HE2 PHE A 115 6.392 -5.039 -12.729 1.00 0.00 H new ATOM 0 HZ PHE A 115 8.392 -6.315 -12.051 1.00 0.00 H new ATOM 1886 N SER A 116 3.815 -10.779 -17.596 1.00 0.00 N ATOM 1887 CA SER A 116 2.598 -11.593 -17.825 1.00 0.00 C ATOM 1888 C SER A 116 2.805 -13.103 -17.538 1.00 0.00 C ATOM 1889 O SER A 116 3.926 -13.597 -17.286 1.00 0.00 O ATOM 1890 CB SER A 116 2.159 -11.404 -19.307 1.00 0.00 C ATOM 1891 OG SER A 116 0.910 -12.028 -19.593 1.00 0.00 O ATOM 0 H SER A 116 4.699 -11.280 -17.679 1.00 0.00 H new ATOM 0 HA SER A 116 1.833 -11.249 -17.129 1.00 0.00 H new ATOM 0 HB2 SER A 116 2.088 -10.339 -19.528 1.00 0.00 H new ATOM 0 HB3 SER A 116 2.925 -11.815 -19.964 1.00 0.00 H new ATOM 0 HG SER A 116 0.320 -11.388 -20.044 1.00 0.00 H new ATOM 1897 N LYS A 117 1.672 -13.820 -17.614 1.00 0.00 N ATOM 1898 CA LYS A 117 1.595 -15.290 -17.612 1.00 0.00 C ATOM 1899 C LYS A 117 1.736 -15.840 -19.046 1.00 0.00 C ATOM 1900 O LYS A 117 1.868 -17.054 -19.252 1.00 0.00 O ATOM 1901 CB LYS A 117 0.227 -15.721 -17.013 1.00 0.00 C ATOM 1902 CG LYS A 117 0.078 -15.489 -15.486 1.00 0.00 C ATOM 1903 CD LYS A 117 0.823 -16.551 -14.642 1.00 0.00 C ATOM 1904 CE LYS A 117 0.250 -17.974 -14.837 1.00 0.00 C ATOM 1905 NZ LYS A 117 0.867 -18.976 -13.924 1.00 0.00 N ATOM 0 H LYS A 117 0.755 -13.378 -17.681 1.00 0.00 H new ATOM 0 HA LYS A 117 2.409 -15.693 -17.009 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -0.565 -15.177 -17.527 1.00 0.00 H new ATOM 0 HB3 LYS A 117 0.074 -16.780 -17.221 1.00 0.00 H new ATOM 0 HG2 LYS A 117 0.459 -14.499 -15.235 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -0.980 -15.499 -15.223 1.00 0.00 H new ATOM 0 HD2 LYS A 117 1.879 -16.548 -14.911 1.00 0.00 H new ATOM 0 HD3 LYS A 117 0.762 -16.280 -13.588 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -0.827 -17.953 -14.671 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.407 -18.285 -15.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 0.446 -19.911 -14.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.891 -19.020 -14.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.696 -18.698 -12.937 1.00 0.00 H new ATOM 1919 N THR A 118 1.707 -14.924 -20.023 1.00 0.00 N ATOM 1920 CA THR A 118 1.615 -15.238 -21.452 1.00 0.00 C ATOM 1921 C THR A 118 2.840 -14.638 -22.168 1.00 0.00 C ATOM 1922 O THR A 118 3.377 -13.613 -21.723 1.00 0.00 O ATOM 1923 CB THR A 118 0.278 -14.648 -22.047 1.00 0.00 C ATOM 1924 OG1 THR A 118 -0.682 -14.439 -20.995 1.00 0.00 O ATOM 1925 CG2 THR A 118 -0.360 -15.572 -23.098 1.00 0.00 C ATOM 0 H THR A 118 1.748 -13.922 -19.836 1.00 0.00 H new ATOM 0 HA THR A 118 1.603 -16.318 -21.599 1.00 0.00 H new ATOM 0 HB THR A 118 0.544 -13.707 -22.529 1.00 0.00 H new ATOM 0 HG1 THR A 118 -0.403 -13.678 -20.444 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.277 -15.117 -23.474 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.337 -15.720 -23.923 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.593 -16.535 -22.643 1.00 0.00 H new ATOM 1933 N THR A 119 3.270 -15.280 -23.266 1.00 0.00 N ATOM 1934 CA THR A 119 4.508 -14.919 -23.980 1.00 0.00 C ATOM 1935 C THR A 119 4.349 -13.614 -24.802 1.00 0.00 C ATOM 1936 O THR A 119 3.235 -13.267 -25.235 1.00 0.00 O ATOM 1937 CB THR A 119 4.999 -16.094 -24.895 1.00 0.00 C ATOM 1938 OG1 THR A 119 6.321 -15.817 -25.383 1.00 0.00 O ATOM 1939 CG2 THR A 119 4.057 -16.362 -26.088 1.00 0.00 C ATOM 0 H THR A 119 2.770 -16.064 -23.685 1.00 0.00 H new ATOM 0 HA THR A 119 5.268 -14.735 -23.220 1.00 0.00 H new ATOM 0 HB THR A 119 5.002 -16.992 -24.277 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.621 -16.556 -25.952 1.00 0.00 H new ATOM 0 HG21 THR A 119 4.450 -17.186 -26.684 1.00 0.00 H new ATOM 0 HG22 THR A 119 3.066 -16.623 -25.717 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.989 -15.467 -26.706 1.00 0.00 H new ATOM 1947 N PHE A 120 5.480 -12.899 -24.986 1.00 0.00 N ATOM 1948 CA PHE A 120 5.548 -11.623 -25.724 1.00 0.00 C ATOM 1949 C PHE A 120 7.016 -11.260 -26.048 1.00 0.00 C ATOM 1950 O PHE A 120 7.286 -10.786 -27.170 1.00 0.00 O ATOM 1951 CB PHE A 120 4.856 -10.465 -24.954 1.00 0.00 C ATOM 1952 CG PHE A 120 5.411 -10.108 -23.561 1.00 0.00 C ATOM 1953 CD1 PHE A 120 5.395 -11.032 -22.513 1.00 0.00 C ATOM 1954 CD2 PHE A 120 5.917 -8.836 -23.296 1.00 0.00 C ATOM 1955 CE1 PHE A 120 5.872 -10.699 -21.264 1.00 0.00 C ATOM 1956 CE2 PHE A 120 6.391 -8.503 -22.043 1.00 0.00 C ATOM 1957 CZ PHE A 120 6.367 -9.433 -21.027 1.00 0.00 C ATOM 1958 OXT PHE A 120 7.897 -11.466 -25.188 1.00 0.00 O ATOM 0 H PHE A 120 6.384 -13.198 -24.620 1.00 0.00 H new ATOM 0 HA PHE A 120 5.004 -11.760 -26.659 1.00 0.00 H new ATOM 0 HB2 PHE A 120 4.905 -9.571 -25.575 1.00 0.00 H new ATOM 0 HB3 PHE A 120 3.802 -10.718 -24.842 1.00 0.00 H new ATOM 0 HD1 PHE A 120 5.002 -12.023 -22.685 1.00 0.00 H new ATOM 0 HD2 PHE A 120 5.938 -8.099 -24.085 1.00 0.00 H new ATOM 0 HE1 PHE A 120 5.858 -11.430 -20.469 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.781 -7.513 -21.859 1.00 0.00 H new ATOM 0 HZ PHE A 120 6.735 -9.171 -20.046 1.00 0.00 H new TER 1968 PHE A 120