USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 869 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 98 GLN : amide:sc= 0.881 K(o=2.1,f=-3.9) USER MOD Set 1.2: A 111 LYS NZ :NH3+ -178:sc= 1.27 (180deg=0) USER MOD Set 2.1: A 85 MET CE :methyl 172:sc= -0.411 (180deg=-0.928) USER MOD Set 2.2: A 103 THR OG1 : rot -150:sc= -0.157 USER MOD Set 3.1: A 23 THR OG1 : rot 180:sc= 0.0684 USER MOD Set 3.2: A 72 ASN : amide:sc=0.000706 K(o=0.069,f=-6.2!) USER MOD Set 4.1: A 66 THR OG1 : rot 140:sc= -0.0377 USER MOD Set 4.2: A 68 MET CE :methyl -174:sc= -0.415 (180deg=-0.223) USER MOD Set 5.1: A 43 MET CE :methyl -168:sc=-0.00816 (180deg=-0.266) USER MOD Set 5.2: A 110 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 32 SER OG : rot 180:sc= 0.0457 USER MOD Set 6.2: A 40 SER OG : rot 22:sc= 0.463 USER MOD Set 7.1: A 3 THR OG1 : rot -71:sc= 0.0575 USER MOD Set 7.2: A 6 GLN : amide:sc= -4.91! K(o=-4.9!,f=-1.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -127:sc= 0.0854 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -2.45! X(o=-2.5!,f=-2) USER MOD Single : A 9 HIS : no HD1:sc= -4.35! K(o=-4.3!,f=-0.92) USER MOD Single : A 10 HIS : no HE2:sc= 0.895 K(o=0.89,f=-2.7!) USER MOD Single : A 16 SER OG : rot 180:sc= -0.0491 USER MOD Single : A 18 ASN : amide:sc= -0.484 K(o=-0.48,f=-3.2!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 140:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 172:sc= 0 (180deg=-0.0481) USER MOD Single : A 38 MET CE :methyl -164:sc= -0.412 (180deg=-0.866) USER MOD Single : A 42 SER OG : rot 180:sc= -0.093 USER MOD Single : A 45 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.23) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -46:sc= 0.00101 USER MOD Single : A 55 ASN : amide:sc= 0.27 K(o=0.27,f=-7.4!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -165:sc= -0.972 (180deg=-1.34) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.079) USER MOD Single : A 76 ASN : amide:sc= -0.744 K(o=-0.74,f=-0.086) USER MOD Single : A 80 ASN : amide:sc= 0.591 K(o=0.59,f=-0.22) USER MOD Single : A 81 THR OG1 : rot 84:sc= 1.25 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.35) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 89:sc= 0.406 USER MOD Single : A 105 LYS NZ :NH3+ -175:sc= 1.23 (180deg=1.21) USER MOD Single : A 106 GLN : amide:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 107 THR OG1 : rot 46:sc= 0.0272 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.569 1.039 -8.124 1.00 0.00 N ATOM 2 CA MET A 1 17.200 0.629 -7.864 1.00 0.00 C ATOM 3 C MET A 1 16.779 0.988 -6.432 1.00 0.00 C ATOM 4 O MET A 1 17.584 1.458 -5.622 1.00 0.00 O ATOM 5 CB MET A 1 17.043 -0.877 -8.165 1.00 0.00 C ATOM 6 CG MET A 1 17.320 -1.805 -6.967 1.00 0.00 C ATOM 7 SD MET A 1 17.971 -3.441 -7.397 1.00 0.00 S ATOM 8 CE MET A 1 16.490 -4.143 -8.165 1.00 0.00 C ATOM 0 H1 MET A 1 18.599 1.622 -8.985 1.00 0.00 H new ATOM 0 H2 MET A 1 18.924 1.593 -7.319 1.00 0.00 H new ATOM 0 H3 MET A 1 19.165 0.197 -8.255 1.00 0.00 H new ATOM 0 HA MET A 1 16.528 1.174 -8.527 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.029 -1.059 -8.521 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.719 -1.144 -8.978 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.029 -1.312 -6.302 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.394 -1.935 -6.406 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.699 -5.160 -8.497 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.677 -4.158 -7.440 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.201 -3.534 -9.022 1.00 0.00 H new ATOM 18 N VAL A 2 15.508 0.734 -6.140 1.00 0.00 N ATOM 19 CA VAL A 2 14.892 0.897 -4.838 1.00 0.00 C ATOM 20 C VAL A 2 15.552 -0.021 -3.793 1.00 0.00 C ATOM 21 O VAL A 2 16.053 -1.101 -4.123 1.00 0.00 O ATOM 22 CB VAL A 2 13.386 0.622 -5.033 1.00 0.00 C ATOM 23 CG1 VAL A 2 13.092 -0.825 -5.463 1.00 0.00 C ATOM 24 CG2 VAL A 2 12.561 0.973 -3.798 1.00 0.00 C ATOM 0 H VAL A 2 14.852 0.393 -6.842 1.00 0.00 H new ATOM 0 HA VAL A 2 15.031 1.904 -4.445 1.00 0.00 H new ATOM 0 HB VAL A 2 13.084 1.282 -5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 2 12.017 -0.957 -5.584 1.00 0.00 H new ATOM 0 HG12 VAL A 2 13.592 -1.032 -6.409 1.00 0.00 H new ATOM 0 HG13 VAL A 2 13.459 -1.513 -4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 2 11.509 0.760 -3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 2 12.903 0.378 -2.951 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.681 2.032 -3.569 1.00 0.00 H new ATOM 34 N THR A 3 15.470 0.352 -2.517 1.00 0.00 N ATOM 35 CA THR A 3 15.912 -0.462 -1.395 1.00 0.00 C ATOM 36 C THR A 3 14.738 -0.635 -0.422 1.00 0.00 C ATOM 37 O THR A 3 13.769 0.129 -0.474 1.00 0.00 O ATOM 38 CB THR A 3 17.166 0.164 -0.745 1.00 0.00 C ATOM 39 OG1 THR A 3 16.889 1.376 -0.069 1.00 0.00 O ATOM 40 CG2 THR A 3 18.262 0.418 -1.777 1.00 0.00 C ATOM 0 H THR A 3 15.084 1.252 -2.232 1.00 0.00 H new ATOM 0 HA THR A 3 16.212 -1.456 -1.726 1.00 0.00 H new ATOM 0 HB THR A 3 17.509 -0.567 -0.012 1.00 0.00 H new ATOM 0 HG1 THR A 3 16.699 2.080 -0.724 1.00 0.00 H new ATOM 0 HG21 THR A 3 19.129 0.859 -1.286 1.00 0.00 H new ATOM 0 HG22 THR A 3 18.549 -0.525 -2.243 1.00 0.00 H new ATOM 0 HG23 THR A 3 17.891 1.102 -2.541 1.00 0.00 H new ATOM 48 N PRO A 4 14.792 -1.599 0.510 1.00 0.00 N ATOM 49 CA PRO A 4 13.812 -1.673 1.589 1.00 0.00 C ATOM 50 C PRO A 4 13.957 -0.494 2.541 1.00 0.00 C ATOM 51 O PRO A 4 12.988 -0.054 3.158 1.00 0.00 O ATOM 52 CB PRO A 4 14.113 -2.992 2.289 1.00 0.00 C ATOM 53 CG PRO A 4 15.589 -3.249 2.020 1.00 0.00 C ATOM 54 CD PRO A 4 15.785 -2.659 0.629 1.00 0.00 C ATOM 0 HA PRO A 4 12.787 -1.630 1.222 1.00 0.00 H new ATOM 0 HB2 PRO A 4 13.912 -2.927 3.358 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.493 -3.798 1.896 1.00 0.00 H new ATOM 0 HG2 PRO A 4 16.226 -2.763 2.759 1.00 0.00 H new ATOM 0 HG3 PRO A 4 15.826 -4.313 2.046 1.00 0.00 H new ATOM 0 HD2 PRO A 4 16.794 -2.266 0.509 1.00 0.00 H new ATOM 0 HD3 PRO A 4 15.644 -3.417 -0.142 1.00 0.00 H new ATOM 62 N GLU A 5 15.194 -0.054 2.742 1.00 0.00 N ATOM 63 CA GLU A 5 15.567 0.989 3.690 1.00 0.00 C ATOM 64 C GLU A 5 14.779 2.264 3.400 1.00 0.00 C ATOM 65 O GLU A 5 14.050 2.721 4.274 1.00 0.00 O ATOM 66 CB GLU A 5 17.080 1.234 3.614 1.00 0.00 C ATOM 67 CG GLU A 5 17.571 2.100 4.781 1.00 0.00 C ATOM 68 CD GLU A 5 19.022 2.532 4.575 1.00 0.00 C ATOM 69 OE1 GLU A 5 19.914 1.652 4.569 1.00 0.00 O ATOM 70 OE2 GLU A 5 19.268 3.740 4.350 1.00 0.00 O ATOM 0 H GLU A 5 15.994 -0.428 2.231 1.00 0.00 H new ATOM 0 HA GLU A 5 15.323 0.671 4.704 1.00 0.00 H new ATOM 0 HB2 GLU A 5 17.605 0.279 3.623 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.323 1.722 2.670 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.936 2.981 4.876 1.00 0.00 H new ATOM 0 HG3 GLU A 5 17.484 1.542 5.713 1.00 0.00 H new ATOM 77 N GLN A 6 14.837 2.770 2.161 1.00 0.00 N ATOM 78 CA GLN A 6 14.156 3.987 1.710 1.00 0.00 C ATOM 79 C GLN A 6 12.623 3.907 1.754 1.00 0.00 C ATOM 80 O GLN A 6 11.951 4.819 1.270 1.00 0.00 O ATOM 81 CB GLN A 6 14.672 4.391 0.313 1.00 0.00 C ATOM 82 CG GLN A 6 14.269 3.408 -0.794 1.00 0.00 C ATOM 83 CD GLN A 6 14.886 3.757 -2.145 1.00 0.00 C ATOM 84 OE1 GLN A 6 16.032 3.434 -2.438 1.00 0.00 O ATOM 85 NE2 GLN A 6 14.140 4.378 -3.034 1.00 0.00 N ATOM 0 H GLN A 6 15.379 2.326 1.420 1.00 0.00 H new ATOM 0 HA GLN A 6 14.407 4.769 2.427 1.00 0.00 H new ATOM 0 HB2 GLN A 6 14.290 5.382 0.065 1.00 0.00 H new ATOM 0 HB3 GLN A 6 15.759 4.467 0.343 1.00 0.00 H new ATOM 0 HG2 GLN A 6 14.574 2.401 -0.509 1.00 0.00 H new ATOM 0 HG3 GLN A 6 13.183 3.397 -0.887 1.00 0.00 H new ATOM 0 HE21 GLN A 6 13.186 4.650 -2.798 1.00 0.00 H new ATOM 0 HE22 GLN A 6 14.516 4.587 -3.959 1.00 0.00 H new ATOM 94 N LEU A 7 12.063 2.829 2.304 1.00 0.00 N ATOM 95 CA LEU A 7 10.640 2.561 2.392 1.00 0.00 C ATOM 96 C LEU A 7 10.243 2.335 3.837 1.00 0.00 C ATOM 97 O LEU A 7 9.301 2.970 4.293 1.00 0.00 O ATOM 98 CB LEU A 7 10.289 1.312 1.575 1.00 0.00 C ATOM 99 CG LEU A 7 10.518 1.493 0.064 1.00 0.00 C ATOM 100 CD1 LEU A 7 10.236 0.170 -0.633 1.00 0.00 C ATOM 101 CD2 LEU A 7 9.572 2.551 -0.497 1.00 0.00 C ATOM 0 H LEU A 7 12.624 2.086 2.719 1.00 0.00 H new ATOM 0 HA LEU A 7 10.100 3.420 1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.889 0.474 1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.245 1.053 1.749 1.00 0.00 H new ATOM 0 HG LEU A 7 11.547 1.810 -0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.394 0.283 -1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 7 10.908 -0.596 -0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.203 -0.126 -0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.748 2.666 -1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.540 2.242 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.751 3.502 0.004 1.00 0.00 H new ATOM 113 N GLN A 8 10.939 1.452 4.566 1.00 0.00 N ATOM 114 CA GLN A 8 10.539 0.978 5.897 1.00 0.00 C ATOM 115 C GLN A 8 10.451 2.077 6.943 1.00 0.00 C ATOM 116 O GLN A 8 10.100 1.777 8.074 1.00 0.00 O ATOM 117 CB GLN A 8 11.399 -0.243 6.329 1.00 0.00 C ATOM 118 CG GLN A 8 12.775 -0.140 6.989 1.00 0.00 C ATOM 119 CD GLN A 8 13.828 -1.189 6.656 1.00 0.00 C ATOM 120 OE1 GLN A 8 14.538 -1.704 7.510 1.00 0.00 O ATOM 121 NE2 GLN A 8 14.011 -1.479 5.387 1.00 0.00 N ATOM 0 H GLN A 8 11.813 1.039 4.240 1.00 0.00 H new ATOM 0 HA GLN A 8 9.510 0.629 5.817 1.00 0.00 H new ATOM 0 HB2 GLN A 8 10.779 -0.823 7.012 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.538 -0.847 5.433 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.190 0.836 6.737 1.00 0.00 H new ATOM 0 HG3 GLN A 8 12.625 -0.154 8.069 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.419 -1.050 4.675 1.00 0.00 H new ATOM 0 HE22 GLN A 8 14.745 -2.133 5.114 1.00 0.00 H new ATOM 130 N HIS A 9 10.854 3.297 6.605 1.00 0.00 N ATOM 131 CA HIS A 9 11.026 4.434 7.484 1.00 0.00 C ATOM 132 C HIS A 9 10.197 5.633 6.977 1.00 0.00 C ATOM 133 O HIS A 9 10.382 6.739 7.478 1.00 0.00 O ATOM 134 CB HIS A 9 12.537 4.755 7.558 1.00 0.00 C ATOM 135 CG HIS A 9 13.394 3.810 8.375 1.00 0.00 C ATOM 136 ND1 HIS A 9 14.581 4.136 8.982 1.00 0.00 N ATOM 137 CD2 HIS A 9 13.220 2.468 8.557 1.00 0.00 C ATOM 138 CE1 HIS A 9 15.083 3.022 9.536 1.00 0.00 C ATOM 139 NE2 HIS A 9 14.298 1.961 9.289 1.00 0.00 N ATOM 0 H HIS A 9 11.084 3.527 5.638 1.00 0.00 H new ATOM 0 HA HIS A 9 10.663 4.209 8.487 1.00 0.00 H new ATOM 0 HB2 HIS A 9 12.930 4.778 6.542 1.00 0.00 H new ATOM 0 HB3 HIS A 9 12.652 5.759 7.967 1.00 0.00 H new ATOM 0 HD2 HIS A 9 12.383 1.890 8.193 1.00 0.00 H new ATOM 0 HE1 HIS A 9 15.999 2.984 10.106 1.00 0.00 H new ATOM 0 HE2 HIS A 9 14.454 0.994 9.574 1.00 0.00 H new ATOM 147 N HIS A 10 9.313 5.451 5.980 1.00 0.00 N ATOM 148 CA HIS A 10 8.545 6.535 5.368 1.00 0.00 C ATOM 149 C HIS A 10 7.067 6.173 5.237 1.00 0.00 C ATOM 150 O HIS A 10 6.690 5.000 5.134 1.00 0.00 O ATOM 151 CB HIS A 10 9.097 6.867 3.978 1.00 0.00 C ATOM 152 CG HIS A 10 10.476 7.466 3.998 1.00 0.00 C ATOM 153 ND1 HIS A 10 10.793 8.801 4.160 1.00 0.00 N ATOM 154 CD2 HIS A 10 11.642 6.771 3.838 1.00 0.00 C ATOM 155 CE1 HIS A 10 12.130 8.896 4.090 1.00 0.00 C ATOM 156 NE2 HIS A 10 12.690 7.694 3.858 1.00 0.00 N ATOM 0 H HIS A 10 9.114 4.535 5.577 1.00 0.00 H new ATOM 0 HA HIS A 10 8.639 7.402 6.022 1.00 0.00 H new ATOM 0 HB2 HIS A 10 9.115 5.957 3.378 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.417 7.561 3.484 1.00 0.00 H new ATOM 0 HD1 HIS A 10 10.136 9.568 4.305 1.00 0.00 H new ATOM 0 HD2 HIS A 10 11.736 5.702 3.718 1.00 0.00 H new ATOM 0 HE1 HIS A 10 12.684 9.816 4.205 1.00 0.00 H new ATOM 164 N ARG A 11 6.225 7.207 5.195 1.00 0.00 N ATOM 165 CA ARG A 11 4.795 7.097 4.945 1.00 0.00 C ATOM 166 C ARG A 11 4.537 7.365 3.478 1.00 0.00 C ATOM 167 O ARG A 11 5.182 8.228 2.881 1.00 0.00 O ATOM 168 CB ARG A 11 4.038 8.093 5.836 1.00 0.00 C ATOM 169 CG ARG A 11 2.524 8.199 5.562 1.00 0.00 C ATOM 170 CD ARG A 11 1.950 9.276 6.488 1.00 0.00 C ATOM 171 NE ARG A 11 0.483 9.272 6.516 1.00 0.00 N ATOM 172 CZ ARG A 11 -0.271 10.024 7.325 1.00 0.00 C ATOM 173 NH1 ARG A 11 0.275 10.912 8.156 1.00 0.00 N ATOM 174 NH2 ARG A 11 -1.581 9.881 7.314 1.00 0.00 N ATOM 0 H ARG A 11 6.532 8.169 5.339 1.00 0.00 H new ATOM 0 HA ARG A 11 4.440 6.095 5.187 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.183 7.807 6.878 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.484 9.080 5.711 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.343 8.457 4.519 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.036 7.241 5.743 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.329 9.121 7.498 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.301 10.255 6.162 1.00 0.00 H new ATOM 0 HE ARG A 11 0.001 8.648 5.869 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.288 11.029 8.184 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.320 11.475 8.764 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.014 9.200 6.691 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.161 10.452 7.929 1.00 0.00 H new ATOM 188 N PHE A 12 3.527 6.692 2.940 1.00 0.00 N ATOM 189 CA PHE A 12 2.938 7.029 1.659 1.00 0.00 C ATOM 190 C PHE A 12 1.426 7.204 1.837 1.00 0.00 C ATOM 191 O PHE A 12 0.849 6.712 2.813 1.00 0.00 O ATOM 192 CB PHE A 12 3.290 5.945 0.628 1.00 0.00 C ATOM 193 CG PHE A 12 4.753 5.908 0.207 1.00 0.00 C ATOM 194 CD1 PHE A 12 5.728 5.323 1.040 1.00 0.00 C ATOM 195 CD2 PHE A 12 5.144 6.469 -1.024 1.00 0.00 C ATOM 196 CE1 PHE A 12 7.083 5.341 0.662 1.00 0.00 C ATOM 197 CE2 PHE A 12 6.498 6.494 -1.399 1.00 0.00 C ATOM 198 CZ PHE A 12 7.469 5.939 -0.551 1.00 0.00 C ATOM 0 H PHE A 12 3.092 5.887 3.391 1.00 0.00 H new ATOM 0 HA PHE A 12 3.339 7.970 1.283 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.021 4.972 1.040 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.676 6.096 -0.260 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.434 4.860 1.970 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.397 6.883 -1.685 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.828 4.895 1.304 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.791 6.940 -2.338 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.512 5.971 -0.830 1.00 0.00 H new ATOM 208 N VAL A 13 0.785 7.876 0.878 1.00 0.00 N ATOM 209 CA VAL A 13 -0.672 7.926 0.705 1.00 0.00 C ATOM 210 C VAL A 13 -1.037 7.592 -0.759 1.00 0.00 C ATOM 211 O VAL A 13 -0.203 7.753 -1.659 1.00 0.00 O ATOM 212 CB VAL A 13 -1.214 9.271 1.216 1.00 0.00 C ATOM 213 CG1 VAL A 13 -0.807 10.415 0.293 1.00 0.00 C ATOM 214 CG2 VAL A 13 -2.738 9.299 1.387 1.00 0.00 C ATOM 0 H VAL A 13 1.283 8.421 0.174 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.164 7.165 1.311 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.767 9.398 2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.204 11.353 0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.280 10.474 0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.206 10.236 -0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.045 10.280 1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.216 9.102 0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.038 8.536 2.105 1.00 0.00 H new ATOM 224 N LEU A 14 -2.261 7.102 -1.007 1.00 0.00 N ATOM 225 CA LEU A 14 -2.749 6.646 -2.316 1.00 0.00 C ATOM 226 C LEU A 14 -3.291 7.842 -3.084 1.00 0.00 C ATOM 227 O LEU A 14 -4.391 8.311 -2.801 1.00 0.00 O ATOM 228 CB LEU A 14 -3.816 5.545 -2.132 1.00 0.00 C ATOM 229 CG LEU A 14 -4.310 4.784 -3.385 1.00 0.00 C ATOM 230 CD1 LEU A 14 -3.316 4.660 -4.546 1.00 0.00 C ATOM 231 CD2 LEU A 14 -4.765 3.370 -2.996 1.00 0.00 C ATOM 0 H LEU A 14 -2.964 7.009 -0.274 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.933 6.209 -2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.418 4.810 -1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.684 6.000 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.126 5.404 -3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.779 4.107 -5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.036 5.655 -4.893 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.426 4.130 -4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.111 2.842 -3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.929 2.828 -2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.578 3.435 -2.273 1.00 0.00 H new ATOM 243 N GLU A 15 -2.500 8.369 -4.013 1.00 0.00 N ATOM 244 CA GLU A 15 -2.838 9.590 -4.733 1.00 0.00 C ATOM 245 C GLU A 15 -3.660 9.253 -5.983 1.00 0.00 C ATOM 246 O GLU A 15 -4.601 9.976 -6.325 1.00 0.00 O ATOM 247 CB GLU A 15 -1.529 10.342 -5.039 1.00 0.00 C ATOM 248 CG GLU A 15 -1.668 11.873 -5.027 1.00 0.00 C ATOM 249 CD GLU A 15 -2.393 12.455 -6.242 1.00 0.00 C ATOM 250 OE1 GLU A 15 -2.093 12.047 -7.387 1.00 0.00 O ATOM 251 OE2 GLU A 15 -3.246 13.356 -6.088 1.00 0.00 O ATOM 0 H GLU A 15 -1.606 7.961 -4.287 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.468 10.247 -4.133 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.775 10.050 -4.307 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.162 10.029 -6.017 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.203 12.169 -4.125 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.673 12.315 -4.968 1.00 0.00 H new ATOM 258 N SER A 16 -3.359 8.133 -6.647 1.00 0.00 N ATOM 259 CA SER A 16 -4.035 7.726 -7.871 1.00 0.00 C ATOM 260 C SER A 16 -4.004 6.203 -8.003 1.00 0.00 C ATOM 261 O SER A 16 -3.040 5.523 -7.642 1.00 0.00 O ATOM 262 CB SER A 16 -3.375 8.366 -9.108 1.00 0.00 C ATOM 263 OG SER A 16 -2.129 8.989 -8.824 1.00 0.00 O ATOM 0 H SER A 16 -2.634 7.483 -6.344 1.00 0.00 H new ATOM 0 HA SER A 16 -5.069 8.067 -7.816 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.225 7.599 -9.868 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.055 9.106 -9.531 1.00 0.00 H new ATOM 0 HG SER A 16 -1.761 9.374 -9.647 1.00 0.00 H new ATOM 269 N VAL A 17 -5.068 5.666 -8.580 1.00 0.00 N ATOM 270 CA VAL A 17 -5.219 4.274 -8.970 1.00 0.00 C ATOM 271 C VAL A 17 -4.471 4.080 -10.309 1.00 0.00 C ATOM 272 O VAL A 17 -3.679 4.920 -10.741 1.00 0.00 O ATOM 273 CB VAL A 17 -6.738 3.940 -9.018 1.00 0.00 C ATOM 274 CG1 VAL A 17 -7.064 2.431 -8.984 1.00 0.00 C ATOM 275 CG2 VAL A 17 -7.523 4.563 -7.853 1.00 0.00 C ATOM 0 H VAL A 17 -5.895 6.221 -8.801 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.779 3.575 -8.259 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.039 4.362 -9.977 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.144 2.291 -9.021 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.605 1.940 -9.842 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.673 1.995 -8.065 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.576 4.296 -7.940 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.130 4.188 -6.908 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.420 5.648 -7.884 1.00 0.00 H new ATOM 285 N ASN A 18 -4.736 2.976 -11.002 1.00 0.00 N ATOM 286 CA ASN A 18 -4.321 2.655 -12.367 1.00 0.00 C ATOM 287 C ASN A 18 -4.640 3.729 -13.434 1.00 0.00 C ATOM 288 O ASN A 18 -4.209 3.613 -14.582 1.00 0.00 O ATOM 289 CB ASN A 18 -5.012 1.335 -12.732 1.00 0.00 C ATOM 290 CG ASN A 18 -4.711 0.918 -14.159 1.00 0.00 C ATOM 291 OD1 ASN A 18 -3.563 0.700 -14.530 1.00 0.00 O ATOM 292 ND2 ASN A 18 -5.734 0.731 -14.964 1.00 0.00 N ATOM 0 H ASN A 18 -5.290 2.223 -10.593 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.233 2.593 -12.374 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.685 0.552 -12.048 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.089 1.441 -12.604 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.580 0.399 -15.916 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.682 0.918 -14.636 1.00 0.00 H new ATOM 299 N GLY A 19 -5.421 4.755 -13.096 1.00 0.00 N ATOM 300 CA GLY A 19 -5.797 5.809 -14.030 1.00 0.00 C ATOM 301 C GLY A 19 -7.081 6.518 -13.618 1.00 0.00 C ATOM 302 O GLY A 19 -7.877 6.873 -14.489 1.00 0.00 O ATOM 0 H GLY A 19 -5.811 4.876 -12.161 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.988 6.537 -14.097 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.924 5.381 -15.025 1.00 0.00 H new ATOM 306 N LYS A 20 -7.338 6.633 -12.311 1.00 0.00 N ATOM 307 CA LYS A 20 -8.460 7.336 -11.695 1.00 0.00 C ATOM 308 C LYS A 20 -8.011 7.835 -10.328 1.00 0.00 C ATOM 309 O LYS A 20 -7.083 7.244 -9.764 1.00 0.00 O ATOM 310 CB LYS A 20 -9.691 6.423 -11.546 1.00 0.00 C ATOM 311 CG LYS A 20 -10.396 6.207 -12.892 1.00 0.00 C ATOM 312 CD LYS A 20 -11.905 6.030 -12.732 1.00 0.00 C ATOM 313 CE LYS A 20 -12.568 6.022 -14.111 1.00 0.00 C ATOM 314 NZ LYS A 20 -12.576 4.678 -14.719 1.00 0.00 N ATOM 0 H LYS A 20 -6.726 6.209 -11.613 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.754 8.169 -12.334 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.384 5.461 -11.136 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.389 6.865 -10.835 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.199 7.058 -13.544 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.979 5.327 -13.382 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.119 5.098 -12.209 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.314 6.838 -12.125 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.592 6.384 -14.022 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.042 6.713 -14.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.035 4.721 -15.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.598 4.341 -14.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.101 4.022 -14.105 1.00 0.00 H new ATOM 328 N PRO A 21 -8.647 8.882 -9.792 1.00 0.00 N ATOM 329 CA PRO A 21 -8.281 9.430 -8.503 1.00 0.00 C ATOM 330 C PRO A 21 -8.987 8.691 -7.359 1.00 0.00 C ATOM 331 O PRO A 21 -9.873 7.857 -7.573 1.00 0.00 O ATOM 332 CB PRO A 21 -8.719 10.887 -8.597 1.00 0.00 C ATOM 333 CG PRO A 21 -9.966 10.842 -9.477 1.00 0.00 C ATOM 334 CD PRO A 21 -9.634 9.724 -10.457 1.00 0.00 C ATOM 0 HA PRO A 21 -7.218 9.328 -8.284 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.939 11.302 -7.613 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.941 11.510 -9.039 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -10.864 10.622 -8.899 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -10.139 11.790 -9.986 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.526 9.152 -10.712 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.237 10.128 -11.389 1.00 0.00 H new ATOM 342 N VAL A 22 -8.597 9.019 -6.129 1.00 0.00 N ATOM 343 CA VAL A 22 -8.918 8.271 -4.917 1.00 0.00 C ATOM 344 C VAL A 22 -9.800 9.132 -4.004 1.00 0.00 C ATOM 345 O VAL A 22 -9.446 10.268 -3.688 1.00 0.00 O ATOM 346 CB VAL A 22 -7.588 7.864 -4.253 1.00 0.00 C ATOM 347 CG1 VAL A 22 -7.815 7.023 -2.989 1.00 0.00 C ATOM 348 CG2 VAL A 22 -6.697 7.058 -5.217 1.00 0.00 C ATOM 0 H VAL A 22 -8.027 9.844 -5.943 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.485 7.366 -5.136 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.089 8.795 -3.984 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.853 6.757 -2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.395 7.599 -2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.359 6.115 -3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.768 6.788 -4.714 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.220 6.152 -5.524 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.472 7.662 -6.096 1.00 0.00 H new ATOM 358 N THR A 23 -10.941 8.594 -3.577 1.00 0.00 N ATOM 359 CA THR A 23 -12.022 9.323 -2.925 1.00 0.00 C ATOM 360 C THR A 23 -12.067 9.034 -1.419 1.00 0.00 C ATOM 361 O THR A 23 -12.653 8.039 -0.985 1.00 0.00 O ATOM 362 CB THR A 23 -13.341 8.952 -3.628 1.00 0.00 C ATOM 363 OG1 THR A 23 -13.383 7.573 -3.975 1.00 0.00 O ATOM 364 CG2 THR A 23 -13.503 9.763 -4.914 1.00 0.00 C ATOM 0 H THR A 23 -11.143 7.600 -3.681 1.00 0.00 H new ATOM 0 HA THR A 23 -11.855 10.396 -3.015 1.00 0.00 H new ATOM 0 HB THR A 23 -14.146 9.173 -2.927 1.00 0.00 H new ATOM 0 HG1 THR A 23 -14.234 7.373 -4.417 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.440 9.490 -5.400 1.00 0.00 H new ATOM 0 HG22 THR A 23 -13.514 10.826 -4.675 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.671 9.551 -5.585 1.00 0.00 H new ATOM 372 N SER A 24 -11.450 9.894 -0.607 1.00 0.00 N ATOM 373 CA SER A 24 -11.534 9.839 0.839 1.00 0.00 C ATOM 374 C SER A 24 -11.066 11.183 1.392 1.00 0.00 C ATOM 375 O SER A 24 -10.011 11.679 0.995 1.00 0.00 O ATOM 376 CB SER A 24 -10.650 8.699 1.362 1.00 0.00 C ATOM 377 OG SER A 24 -10.646 8.703 2.774 1.00 0.00 O ATOM 0 H SER A 24 -10.869 10.659 -0.950 1.00 0.00 H new ATOM 0 HA SER A 24 -12.558 9.648 1.160 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.020 7.742 0.993 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.633 8.814 0.986 1.00 0.00 H new ATOM 0 HG SER A 24 -10.684 7.781 3.104 1.00 0.00 H new ATOM 383 N ASP A 25 -11.799 11.728 2.364 1.00 0.00 N ATOM 384 CA ASP A 25 -11.364 12.854 3.207 1.00 0.00 C ATOM 385 C ASP A 25 -11.026 12.407 4.643 1.00 0.00 C ATOM 386 O ASP A 25 -10.655 13.240 5.476 1.00 0.00 O ATOM 387 CB ASP A 25 -12.447 13.944 3.299 1.00 0.00 C ATOM 388 CG ASP A 25 -12.960 14.469 1.961 1.00 0.00 C ATOM 389 OD1 ASP A 25 -12.319 15.347 1.341 1.00 0.00 O ATOM 390 OD2 ASP A 25 -14.078 14.051 1.578 1.00 0.00 O ATOM 0 H ASP A 25 -12.734 11.394 2.596 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.470 13.251 2.727 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.291 13.547 3.863 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.048 14.782 3.870 1.00 0.00 H new ATOM 395 N LYS A 26 -11.214 11.126 5.006 1.00 0.00 N ATOM 396 CA LYS A 26 -10.988 10.635 6.358 1.00 0.00 C ATOM 397 C LYS A 26 -10.399 9.239 6.312 1.00 0.00 C ATOM 398 O LYS A 26 -11.003 8.358 5.701 1.00 0.00 O ATOM 399 CB LYS A 26 -12.298 10.606 7.152 1.00 0.00 C ATOM 400 CG LYS A 26 -12.993 11.971 7.209 1.00 0.00 C ATOM 401 CD LYS A 26 -14.227 11.937 8.108 1.00 0.00 C ATOM 402 CE LYS A 26 -14.952 13.285 8.068 1.00 0.00 C ATOM 403 NZ LYS A 26 -16.244 13.205 8.773 1.00 0.00 N ATOM 0 H LYS A 26 -11.529 10.405 4.357 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.290 11.311 6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.974 9.879 6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.094 10.265 8.167 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.294 12.721 7.579 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.283 12.274 6.203 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -14.901 11.144 7.782 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.933 11.705 9.132 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.329 14.052 8.527 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.115 13.585 7.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -16.719 14.129 8.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -16.844 12.488 8.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -16.082 12.941 9.766 1.00 0.00 H new ATOM 417 N ASN A 27 -9.299 9.035 7.044 1.00 0.00 N ATOM 418 CA ASN A 27 -8.565 7.771 7.148 1.00 0.00 C ATOM 419 C ASN A 27 -8.385 7.168 5.748 1.00 0.00 C ATOM 420 O ASN A 27 -9.029 6.159 5.452 1.00 0.00 O ATOM 421 CB ASN A 27 -9.271 6.771 8.098 1.00 0.00 C ATOM 422 CG ASN A 27 -9.197 7.108 9.575 1.00 0.00 C ATOM 423 OD1 ASN A 27 -8.671 6.325 10.363 1.00 0.00 O ATOM 424 ND2 ASN A 27 -9.690 8.258 9.999 1.00 0.00 N ATOM 0 H ASN A 27 -8.879 9.777 7.603 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.585 7.976 7.580 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -10.320 6.704 7.811 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.835 5.784 7.946 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -9.636 8.502 10.988 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -10.125 8.901 9.338 1.00 0.00 H new ATOM 431 N PRO A 28 -7.584 7.783 4.862 1.00 0.00 N ATOM 432 CA PRO A 28 -7.460 7.365 3.466 1.00 0.00 C ATOM 433 C PRO A 28 -6.871 5.958 3.329 1.00 0.00 C ATOM 434 O PRO A 28 -6.386 5.384 4.310 1.00 0.00 O ATOM 435 CB PRO A 28 -6.555 8.401 2.790 1.00 0.00 C ATOM 436 CG PRO A 28 -5.833 9.096 3.934 1.00 0.00 C ATOM 437 CD PRO A 28 -6.762 8.948 5.138 1.00 0.00 C ATOM 0 HA PRO A 28 -8.443 7.318 2.998 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.850 7.925 2.109 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.137 9.110 2.201 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.863 8.637 4.125 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.649 10.146 3.705 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.192 8.816 6.058 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.377 9.838 5.269 1.00 0.00 H new ATOM 445 N PRO A 29 -6.836 5.385 2.113 1.00 0.00 N ATOM 446 CA PRO A 29 -6.041 4.194 1.861 1.00 0.00 C ATOM 447 C PRO A 29 -4.546 4.549 1.802 1.00 0.00 C ATOM 448 O PRO A 29 -3.845 4.261 0.835 1.00 0.00 O ATOM 449 CB PRO A 29 -6.594 3.638 0.545 1.00 0.00 C ATOM 450 CG PRO A 29 -7.225 4.833 -0.166 1.00 0.00 C ATOM 451 CD PRO A 29 -7.638 5.769 0.963 1.00 0.00 C ATOM 0 HA PRO A 29 -6.111 3.445 2.650 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -5.802 3.195 -0.058 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.331 2.856 0.728 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.517 5.313 -0.842 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.083 4.531 -0.766 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.460 6.810 0.692 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.702 5.674 1.180 1.00 0.00 H new ATOM 459 N GLU A 30 -4.001 5.044 2.909 1.00 0.00 N ATOM 460 CA GLU A 30 -2.586 5.328 3.056 1.00 0.00 C ATOM 461 C GLU A 30 -1.849 4.023 3.392 1.00 0.00 C ATOM 462 O GLU A 30 -2.472 2.999 3.695 1.00 0.00 O ATOM 463 CB GLU A 30 -2.404 6.441 4.100 1.00 0.00 C ATOM 464 CG GLU A 30 -2.710 6.041 5.551 1.00 0.00 C ATOM 465 CD GLU A 30 -3.662 7.014 6.261 1.00 0.00 C ATOM 466 OE1 GLU A 30 -3.417 8.244 6.203 1.00 0.00 O ATOM 467 OE2 GLU A 30 -4.631 6.530 6.895 1.00 0.00 O ATOM 0 H GLU A 30 -4.546 5.262 3.743 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.148 5.701 2.130 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.376 6.799 4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.047 7.279 3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.148 5.043 5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.776 5.985 6.110 1.00 0.00 H new ATOM 474 N ILE A 31 -0.520 4.036 3.363 1.00 0.00 N ATOM 475 CA ILE A 31 0.297 2.946 3.867 1.00 0.00 C ATOM 476 C ILE A 31 1.544 3.598 4.437 1.00 0.00 C ATOM 477 O ILE A 31 2.395 4.106 3.705 1.00 0.00 O ATOM 478 CB ILE A 31 0.561 1.817 2.831 1.00 0.00 C ATOM 479 CG1 ILE A 31 1.569 0.811 3.421 1.00 0.00 C ATOM 480 CG2 ILE A 31 1.002 2.259 1.420 1.00 0.00 C ATOM 481 CD1 ILE A 31 1.555 -0.545 2.717 1.00 0.00 C ATOM 0 H ILE A 31 0.022 4.813 2.985 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.227 2.392 4.646 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.414 1.361 2.661 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.572 1.234 3.359 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.349 0.665 4.479 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.153 1.380 0.794 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.231 2.890 0.979 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.934 2.820 1.489 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.288 -1.204 3.182 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.563 -0.988 2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.804 -0.411 1.664 1.00 0.00 H new ATOM 493 N SER A 32 1.617 3.639 5.757 1.00 0.00 N ATOM 494 CA SER A 32 2.879 3.827 6.435 1.00 0.00 C ATOM 495 C SER A 32 3.568 2.466 6.459 1.00 0.00 C ATOM 496 O SER A 32 2.930 1.476 6.836 1.00 0.00 O ATOM 497 CB SER A 32 2.652 4.437 7.824 1.00 0.00 C ATOM 498 OG SER A 32 1.396 4.105 8.403 1.00 0.00 O ATOM 0 H SER A 32 0.813 3.544 6.377 1.00 0.00 H new ATOM 0 HA SER A 32 3.527 4.537 5.921 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.447 4.103 8.491 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.731 5.522 7.751 1.00 0.00 H new ATOM 0 HG SER A 32 1.321 4.525 9.285 1.00 0.00 H new ATOM 504 N PHE A 33 4.835 2.417 6.036 1.00 0.00 N ATOM 505 CA PHE A 33 5.719 1.330 6.427 1.00 0.00 C ATOM 506 C PHE A 33 6.474 1.800 7.673 1.00 0.00 C ATOM 507 O PHE A 33 6.602 3.011 7.900 1.00 0.00 O ATOM 508 CB PHE A 33 6.683 0.932 5.294 1.00 0.00 C ATOM 509 CG PHE A 33 6.029 0.592 3.966 1.00 0.00 C ATOM 510 CD1 PHE A 33 5.628 -0.729 3.686 1.00 0.00 C ATOM 511 CD2 PHE A 33 5.836 1.598 2.997 1.00 0.00 C ATOM 512 CE1 PHE A 33 5.021 -1.035 2.455 1.00 0.00 C ATOM 513 CE2 PHE A 33 5.188 1.299 1.785 1.00 0.00 C ATOM 514 CZ PHE A 33 4.776 -0.018 1.518 1.00 0.00 C ATOM 0 H PHE A 33 5.263 3.115 5.428 1.00 0.00 H new ATOM 0 HA PHE A 33 5.141 0.431 6.642 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.385 1.750 5.134 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.266 0.072 5.622 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.787 -1.508 4.417 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.187 2.602 3.186 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.743 -2.054 2.230 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.007 2.080 1.061 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.271 -0.248 0.592 1.00 0.00 H new ATOM 524 N GLY A 34 6.968 0.878 8.494 1.00 0.00 N ATOM 525 CA GLY A 34 7.651 1.223 9.737 1.00 0.00 C ATOM 526 C GLY A 34 8.357 0.003 10.287 1.00 0.00 C ATOM 527 O GLY A 34 7.666 -0.965 10.555 1.00 0.00 O ATOM 0 H GLY A 34 6.907 -0.125 8.318 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.371 2.022 9.558 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.933 1.599 10.466 1.00 0.00 H new ATOM 531 N GLU A 35 9.673 0.027 10.505 1.00 0.00 N ATOM 532 CA GLU A 35 10.463 -1.076 11.051 1.00 0.00 C ATOM 533 C GLU A 35 10.582 -2.237 10.043 1.00 0.00 C ATOM 534 O GLU A 35 9.592 -2.856 9.666 1.00 0.00 O ATOM 535 CB GLU A 35 9.887 -1.486 12.428 1.00 0.00 C ATOM 536 CG GLU A 35 10.959 -1.699 13.493 1.00 0.00 C ATOM 537 CD GLU A 35 11.625 -3.076 13.426 1.00 0.00 C ATOM 538 OE1 GLU A 35 10.923 -4.112 13.432 1.00 0.00 O ATOM 539 OE2 GLU A 35 12.876 -3.125 13.404 1.00 0.00 O ATOM 0 H GLU A 35 10.240 0.849 10.297 1.00 0.00 H new ATOM 0 HA GLU A 35 11.490 -0.752 11.220 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.195 -0.716 12.768 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.311 -2.404 12.314 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.723 -0.929 13.386 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.511 -1.569 14.478 1.00 0.00 H new ATOM 546 N LYS A 36 11.796 -2.516 9.555 1.00 0.00 N ATOM 547 CA LYS A 36 12.241 -3.587 8.640 1.00 0.00 C ATOM 548 C LYS A 36 11.665 -3.558 7.228 1.00 0.00 C ATOM 549 O LYS A 36 12.402 -3.783 6.271 1.00 0.00 O ATOM 550 CB LYS A 36 12.028 -4.982 9.250 1.00 0.00 C ATOM 551 CG LYS A 36 12.885 -5.191 10.504 1.00 0.00 C ATOM 552 CD LYS A 36 12.686 -6.569 11.134 1.00 0.00 C ATOM 553 CE LYS A 36 11.223 -6.799 11.536 1.00 0.00 C ATOM 554 NZ LYS A 36 11.098 -7.887 12.522 1.00 0.00 N ATOM 0 H LYS A 36 12.587 -1.930 9.820 1.00 0.00 H new ATOM 0 HA LYS A 36 13.304 -3.375 8.522 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.976 -5.111 9.503 1.00 0.00 H new ATOM 0 HB3 LYS A 36 12.274 -5.744 8.510 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.936 -5.063 10.246 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.641 -4.422 11.237 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.996 -7.340 10.429 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.325 -6.664 12.012 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.810 -5.880 11.952 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.635 -7.040 10.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.097 -8.016 12.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.470 -8.769 12.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.639 -7.645 13.376 1.00 0.00 H new ATOM 568 N MET A 37 10.349 -3.447 7.124 1.00 0.00 N ATOM 569 CA MET A 37 9.459 -3.334 5.971 1.00 0.00 C ATOM 570 C MET A 37 7.979 -3.447 6.391 1.00 0.00 C ATOM 571 O MET A 37 7.142 -3.617 5.506 1.00 0.00 O ATOM 572 CB MET A 37 9.840 -4.318 4.847 1.00 0.00 C ATOM 573 CG MET A 37 10.778 -3.675 3.821 1.00 0.00 C ATOM 574 SD MET A 37 10.047 -3.272 2.209 1.00 0.00 S ATOM 575 CE MET A 37 8.687 -2.175 2.684 1.00 0.00 C ATOM 0 H MET A 37 9.795 -3.432 7.980 1.00 0.00 H new ATOM 0 HA MET A 37 9.589 -2.337 5.551 1.00 0.00 H new ATOM 0 HB2 MET A 37 10.321 -5.195 5.280 1.00 0.00 H new ATOM 0 HB3 MET A 37 8.936 -4.665 4.346 1.00 0.00 H new ATOM 0 HG2 MET A 37 11.182 -2.759 4.253 1.00 0.00 H new ATOM 0 HG3 MET A 37 11.619 -4.348 3.657 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.242 -1.739 1.790 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.932 -2.745 3.225 1.00 0.00 H new ATOM 0 HE3 MET A 37 9.068 -1.379 3.324 1.00 0.00 H new ATOM 585 N MET A 38 7.634 -3.462 7.691 1.00 0.00 N ATOM 586 CA MET A 38 6.270 -3.794 8.136 1.00 0.00 C ATOM 587 C MET A 38 5.231 -2.869 7.503 1.00 0.00 C ATOM 588 O MET A 38 5.545 -1.749 7.106 1.00 0.00 O ATOM 589 CB MET A 38 6.111 -3.692 9.656 1.00 0.00 C ATOM 590 CG MET A 38 6.925 -4.691 10.475 1.00 0.00 C ATOM 591 SD MET A 38 6.294 -6.387 10.462 1.00 0.00 S ATOM 592 CE MET A 38 4.577 -6.165 11.019 1.00 0.00 C ATOM 0 H MET A 38 8.281 -3.248 8.450 1.00 0.00 H new ATOM 0 HA MET A 38 6.106 -4.824 7.819 1.00 0.00 H new ATOM 0 HB2 MET A 38 6.389 -2.684 9.965 1.00 0.00 H new ATOM 0 HB3 MET A 38 5.057 -3.821 9.902 1.00 0.00 H new ATOM 0 HG2 MET A 38 7.948 -4.697 10.099 1.00 0.00 H new ATOM 0 HG3 MET A 38 6.967 -4.343 11.507 1.00 0.00 H new ATOM 0 HE1 MET A 38 4.167 -7.127 11.326 1.00 0.00 H new ATOM 0 HE2 MET A 38 4.554 -5.475 11.862 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.979 -5.760 10.203 1.00 0.00 H new ATOM 602 N ILE A 39 3.991 -3.350 7.452 1.00 0.00 N ATOM 603 CA ILE A 39 2.884 -2.814 6.678 1.00 0.00 C ATOM 604 C ILE A 39 1.747 -2.553 7.663 1.00 0.00 C ATOM 605 O ILE A 39 1.339 -3.477 8.374 1.00 0.00 O ATOM 606 CB ILE A 39 2.538 -3.870 5.595 1.00 0.00 C ATOM 607 CG1 ILE A 39 3.617 -3.848 4.493 1.00 0.00 C ATOM 608 CG2 ILE A 39 1.141 -3.743 4.975 1.00 0.00 C ATOM 609 CD1 ILE A 39 3.579 -5.076 3.589 1.00 0.00 C ATOM 0 H ILE A 39 3.720 -4.176 7.985 1.00 0.00 H new ATOM 0 HA ILE A 39 3.104 -1.877 6.166 1.00 0.00 H new ATOM 0 HB ILE A 39 2.524 -4.829 6.114 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.487 -2.953 3.885 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.600 -3.778 4.958 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.000 -4.527 4.231 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.386 -3.843 5.755 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.042 -2.768 4.497 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.363 -4.998 2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.738 -5.973 4.187 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.608 -5.136 3.097 1.00 0.00 H new ATOM 621 N SER A 40 1.239 -1.320 7.694 1.00 0.00 N ATOM 622 CA SER A 40 0.120 -0.889 8.527 1.00 0.00 C ATOM 623 C SER A 40 -0.788 0.021 7.684 1.00 0.00 C ATOM 624 O SER A 40 -0.276 0.989 7.100 1.00 0.00 O ATOM 625 CB SER A 40 0.683 -0.138 9.740 1.00 0.00 C ATOM 626 OG SER A 40 1.504 0.944 9.314 1.00 0.00 O ATOM 0 H SER A 40 1.612 -0.566 7.116 1.00 0.00 H new ATOM 0 HA SER A 40 -0.466 -1.737 8.881 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.135 0.237 10.355 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.263 -0.820 10.362 1.00 0.00 H new ATOM 0 HG SER A 40 1.265 1.195 8.397 1.00 0.00 H new ATOM 632 N GLY A 41 -2.082 -0.282 7.532 1.00 0.00 N ATOM 633 CA GLY A 41 -2.950 0.478 6.630 1.00 0.00 C ATOM 634 C GLY A 41 -4.424 0.092 6.755 1.00 0.00 C ATOM 635 O GLY A 41 -4.793 -0.797 7.531 1.00 0.00 O ATOM 0 H GLY A 41 -2.549 -1.046 8.021 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.840 1.542 6.839 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.624 0.320 5.602 1.00 0.00 H new ATOM 639 N SER A 42 -5.291 0.758 5.992 1.00 0.00 N ATOM 640 CA SER A 42 -6.678 0.359 5.824 1.00 0.00 C ATOM 641 C SER A 42 -7.209 0.877 4.488 1.00 0.00 C ATOM 642 O SER A 42 -7.419 2.084 4.321 1.00 0.00 O ATOM 643 CB SER A 42 -7.519 0.875 6.999 1.00 0.00 C ATOM 644 OG SER A 42 -8.820 0.314 6.922 1.00 0.00 O ATOM 0 H SER A 42 -5.042 1.598 5.470 1.00 0.00 H new ATOM 0 HA SER A 42 -6.746 -0.729 5.816 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.049 0.605 7.945 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.577 1.963 6.971 1.00 0.00 H new ATOM 0 HG SER A 42 -9.361 0.639 7.672 1.00 0.00 H new ATOM 650 N MET A 43 -7.451 -0.028 3.534 1.00 0.00 N ATOM 651 CA MET A 43 -8.338 0.249 2.414 1.00 0.00 C ATOM 652 C MET A 43 -9.743 0.416 2.988 1.00 0.00 C ATOM 653 O MET A 43 -10.298 1.514 2.958 1.00 0.00 O ATOM 654 CB MET A 43 -8.301 -0.876 1.363 1.00 0.00 C ATOM 655 CG MET A 43 -6.950 -1.041 0.660 1.00 0.00 C ATOM 656 SD MET A 43 -6.388 0.424 -0.240 1.00 0.00 S ATOM 657 CE MET A 43 -5.126 -0.286 -1.320 1.00 0.00 C ATOM 0 H MET A 43 -7.040 -0.961 3.521 1.00 0.00 H new ATOM 0 HA MET A 43 -8.018 1.154 1.898 1.00 0.00 H new ATOM 0 HB2 MET A 43 -8.563 -1.817 1.847 1.00 0.00 H new ATOM 0 HB3 MET A 43 -9.066 -0.680 0.612 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.198 -1.306 1.403 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.017 -1.876 -0.037 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.546 0.515 -1.777 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.464 -0.925 -0.735 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.605 -0.877 -2.100 1.00 0.00 H new ATOM 667 N CYS A 44 -10.302 -0.648 3.565 1.00 0.00 N ATOM 668 CA CYS A 44 -11.647 -0.634 4.117 1.00 0.00 C ATOM 669 C CYS A 44 -11.688 -1.549 5.333 1.00 0.00 C ATOM 670 O CYS A 44 -11.892 -1.093 6.461 1.00 0.00 O ATOM 671 CB CYS A 44 -12.631 -1.034 3.016 1.00 0.00 C ATOM 672 SG CYS A 44 -14.348 -1.330 3.491 1.00 0.00 S ATOM 0 H CYS A 44 -9.828 -1.546 3.661 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.937 0.359 4.459 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.623 -0.250 2.258 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.253 -1.940 2.542 1.00 0.00 H new ATOM 677 N ASN A 45 -11.424 -2.837 5.116 1.00 0.00 N ATOM 678 CA ASN A 45 -11.500 -3.902 6.111 1.00 0.00 C ATOM 679 C ASN A 45 -10.293 -3.920 7.074 1.00 0.00 C ATOM 680 O ASN A 45 -10.049 -4.941 7.711 1.00 0.00 O ATOM 681 CB ASN A 45 -11.546 -5.276 5.408 1.00 0.00 C ATOM 682 CG ASN A 45 -12.611 -5.614 4.366 1.00 0.00 C ATOM 683 OD1 ASN A 45 -12.536 -6.680 3.771 1.00 0.00 O ATOM 684 ND2 ASN A 45 -13.599 -4.788 4.083 1.00 0.00 N ATOM 0 H ASN A 45 -11.138 -3.180 4.199 1.00 0.00 H new ATOM 0 HA ASN A 45 -12.404 -3.709 6.688 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.578 -5.416 4.926 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.623 -6.029 6.193 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.289 -5.041 3.376 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -13.674 -3.896 4.572 1.00 0.00 H new ATOM 691 N ARG A 46 -9.489 -2.851 7.159 1.00 0.00 N ATOM 692 CA ARG A 46 -8.088 -2.836 7.610 1.00 0.00 C ATOM 693 C ARG A 46 -7.183 -3.772 6.799 1.00 0.00 C ATOM 694 O ARG A 46 -7.677 -4.609 6.042 1.00 0.00 O ATOM 695 CB ARG A 46 -7.997 -3.110 9.125 1.00 0.00 C ATOM 696 CG ARG A 46 -7.879 -1.832 9.974 1.00 0.00 C ATOM 697 CD ARG A 46 -6.825 -2.095 11.042 1.00 0.00 C ATOM 698 NE ARG A 46 -6.483 -0.913 11.846 1.00 0.00 N ATOM 699 CZ ARG A 46 -6.582 -0.789 13.174 1.00 0.00 C ATOM 700 NH1 ARG A 46 -7.349 -1.616 13.882 1.00 0.00 N ATOM 701 NH2 ARG A 46 -5.900 0.166 13.790 1.00 0.00 N ATOM 0 H ARG A 46 -9.816 -1.920 6.900 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.707 -1.832 7.425 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.881 -3.665 9.439 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.134 -3.747 9.320 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.594 -0.983 9.353 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.837 -1.585 10.432 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.183 -2.882 11.706 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.921 -2.469 10.562 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.133 -0.101 11.337 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.871 -2.356 13.412 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.415 -1.510 14.894 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.307 0.798 13.252 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.968 0.269 14.802 1.00 0.00 H new ATOM 715 N PHE A 47 -5.861 -3.613 6.912 1.00 0.00 N ATOM 716 CA PHE A 47 -4.886 -4.676 6.690 1.00 0.00 C ATOM 717 C PHE A 47 -3.552 -4.321 7.345 1.00 0.00 C ATOM 718 O PHE A 47 -3.309 -3.173 7.726 1.00 0.00 O ATOM 719 CB PHE A 47 -4.687 -4.992 5.189 1.00 0.00 C ATOM 720 CG PHE A 47 -4.038 -3.885 4.380 1.00 0.00 C ATOM 721 CD1 PHE A 47 -4.832 -2.817 3.927 1.00 0.00 C ATOM 722 CD2 PHE A 47 -2.657 -3.900 4.095 1.00 0.00 C ATOM 723 CE1 PHE A 47 -4.244 -1.755 3.221 1.00 0.00 C ATOM 724 CE2 PHE A 47 -2.079 -2.841 3.369 1.00 0.00 C ATOM 725 CZ PHE A 47 -2.872 -1.768 2.933 1.00 0.00 C ATOM 0 H PHE A 47 -5.434 -2.722 7.166 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.284 -5.578 7.155 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.077 -5.891 5.100 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.658 -5.221 4.750 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.894 -2.813 4.122 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.044 -4.722 4.433 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.852 -0.923 2.898 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.022 -2.854 3.147 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.427 -0.956 2.378 1.00 0.00 H new ATOM 735 N SER A 48 -2.680 -5.317 7.464 1.00 0.00 N ATOM 736 CA SER A 48 -1.319 -5.161 7.953 1.00 0.00 C ATOM 737 C SER A 48 -0.525 -6.442 7.671 1.00 0.00 C ATOM 738 O SER A 48 -1.140 -7.498 7.486 1.00 0.00 O ATOM 739 CB SER A 48 -1.336 -4.853 9.457 1.00 0.00 C ATOM 740 OG SER A 48 -2.479 -5.285 10.175 1.00 0.00 O ATOM 0 H SER A 48 -2.909 -6.280 7.216 1.00 0.00 H new ATOM 0 HA SER A 48 -0.838 -4.329 7.438 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.456 -5.309 9.909 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.238 -3.775 9.586 1.00 0.00 H new ATOM 0 HG SER A 48 -2.384 -5.040 11.119 1.00 0.00 H new ATOM 746 N GLY A 49 0.813 -6.419 7.703 1.00 0.00 N ATOM 747 CA GLY A 49 1.619 -7.628 7.536 1.00 0.00 C ATOM 748 C GLY A 49 3.121 -7.378 7.689 1.00 0.00 C ATOM 749 O GLY A 49 3.576 -6.240 7.808 1.00 0.00 O ATOM 0 H GLY A 49 1.360 -5.570 7.844 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.304 -8.371 8.269 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.426 -8.052 6.550 1.00 0.00 H new ATOM 753 N GLU A 50 3.902 -8.458 7.677 1.00 0.00 N ATOM 754 CA GLU A 50 5.353 -8.439 7.543 1.00 0.00 C ATOM 755 C GLU A 50 5.682 -8.242 6.065 1.00 0.00 C ATOM 756 O GLU A 50 5.705 -9.205 5.288 1.00 0.00 O ATOM 757 CB GLU A 50 5.970 -9.744 8.083 1.00 0.00 C ATOM 758 CG GLU A 50 6.089 -9.718 9.612 1.00 0.00 C ATOM 759 CD GLU A 50 6.557 -11.050 10.208 1.00 0.00 C ATOM 760 OE1 GLU A 50 6.041 -12.116 9.798 1.00 0.00 O ATOM 761 OE2 GLU A 50 7.502 -11.047 11.029 1.00 0.00 O ATOM 0 H GLU A 50 3.525 -9.402 7.764 1.00 0.00 H new ATOM 0 HA GLU A 50 5.777 -7.624 8.129 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.355 -10.591 7.779 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.956 -9.891 7.643 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.788 -8.933 9.901 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.121 -9.457 10.040 1.00 0.00 H new ATOM 768 N GLY A 51 5.891 -6.990 5.670 1.00 0.00 N ATOM 769 CA GLY A 51 6.450 -6.665 4.363 1.00 0.00 C ATOM 770 C GLY A 51 7.912 -7.068 4.281 1.00 0.00 C ATOM 771 O GLY A 51 8.565 -7.276 5.312 1.00 0.00 O ATOM 0 H GLY A 51 5.678 -6.175 6.245 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.884 -7.176 3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.353 -5.595 4.178 1.00 0.00 H new ATOM 775 N LYS A 52 8.453 -7.126 3.060 1.00 0.00 N ATOM 776 CA LYS A 52 9.882 -7.286 2.823 1.00 0.00 C ATOM 777 C LYS A 52 10.222 -6.890 1.391 1.00 0.00 C ATOM 778 O LYS A 52 9.382 -7.051 0.508 1.00 0.00 O ATOM 779 CB LYS A 52 10.283 -8.742 3.099 1.00 0.00 C ATOM 780 CG LYS A 52 11.788 -8.807 3.403 1.00 0.00 C ATOM 781 CD LYS A 52 12.160 -9.988 4.305 1.00 0.00 C ATOM 782 CE LYS A 52 13.329 -9.606 5.231 1.00 0.00 C ATOM 783 NZ LYS A 52 12.937 -9.587 6.656 1.00 0.00 N ATOM 0 H LYS A 52 7.902 -7.062 2.204 1.00 0.00 H new ATOM 0 HA LYS A 52 10.441 -6.635 3.495 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.713 -9.134 3.941 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.048 -9.366 2.237 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.340 -8.883 2.466 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.098 -7.878 3.882 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.297 -10.285 4.901 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.437 -10.848 3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.146 -10.314 5.091 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.707 -8.624 4.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.758 -9.325 7.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.176 -8.893 6.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.601 -10.531 6.936 1.00 0.00 H new ATOM 797 N LEU A 53 11.445 -6.415 1.154 1.00 0.00 N ATOM 798 CA LEU A 53 11.982 -6.090 -0.162 1.00 0.00 C ATOM 799 C LEU A 53 13.482 -6.351 -0.109 1.00 0.00 C ATOM 800 O LEU A 53 14.130 -5.950 0.854 1.00 0.00 O ATOM 801 CB LEU A 53 11.682 -4.619 -0.498 1.00 0.00 C ATOM 802 CG LEU A 53 12.469 -4.019 -1.676 1.00 0.00 C ATOM 803 CD1 LEU A 53 12.193 -4.722 -3.000 1.00 0.00 C ATOM 804 CD2 LEU A 53 12.077 -2.553 -1.831 1.00 0.00 C ATOM 0 H LEU A 53 12.113 -6.240 1.905 1.00 0.00 H new ATOM 0 HA LEU A 53 11.525 -6.699 -0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.618 -4.527 -0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.880 -4.017 0.389 1.00 0.00 H new ATOM 0 HG LEU A 53 13.528 -4.142 -1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.778 -4.252 -3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.471 -5.773 -2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.132 -4.645 -3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.628 -2.115 -2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.007 -2.481 -2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.315 -2.014 -0.914 1.00 0.00 H new ATOM 816 N SER A 54 14.049 -7.002 -1.124 1.00 0.00 N ATOM 817 CA SER A 54 15.498 -7.120 -1.276 1.00 0.00 C ATOM 818 C SER A 54 15.903 -7.401 -2.738 1.00 0.00 C ATOM 819 O SER A 54 17.046 -7.789 -2.987 1.00 0.00 O ATOM 820 CB SER A 54 16.013 -8.195 -0.291 1.00 0.00 C ATOM 821 OG SER A 54 17.385 -8.035 0.047 1.00 0.00 O ATOM 0 H SER A 54 13.517 -7.462 -1.863 1.00 0.00 H new ATOM 0 HA SER A 54 15.970 -6.169 -1.029 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.415 -8.160 0.620 1.00 0.00 H new ATOM 0 HB3 SER A 54 15.867 -9.181 -0.731 1.00 0.00 H new ATOM 0 HG SER A 54 17.905 -7.868 -0.767 1.00 0.00 H new ATOM 827 N ASN A 55 14.987 -7.274 -3.706 1.00 0.00 N ATOM 828 CA ASN A 55 15.214 -7.665 -5.106 1.00 0.00 C ATOM 829 C ASN A 55 14.389 -6.862 -6.128 1.00 0.00 C ATOM 830 O ASN A 55 14.535 -7.088 -7.331 1.00 0.00 O ATOM 831 CB ASN A 55 14.934 -9.173 -5.271 1.00 0.00 C ATOM 832 CG ASN A 55 13.541 -9.609 -4.846 1.00 0.00 C ATOM 833 OD1 ASN A 55 12.612 -8.812 -4.809 1.00 0.00 O ATOM 834 ND2 ASN A 55 13.369 -10.853 -4.436 1.00 0.00 N ATOM 0 H ASN A 55 14.056 -6.893 -3.539 1.00 0.00 H new ATOM 0 HA ASN A 55 16.258 -7.437 -5.322 1.00 0.00 H new ATOM 0 HB2 ASN A 55 15.082 -9.444 -6.316 1.00 0.00 H new ATOM 0 HB3 ASN A 55 15.668 -9.731 -4.690 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.459 -11.154 -4.087 1.00 0.00 H new ATOM 0 HD22 ASN A 55 14.146 -11.513 -4.469 1.00 0.00 H new ATOM 841 N GLY A 56 13.533 -5.938 -5.684 1.00 0.00 N ATOM 842 CA GLY A 56 12.608 -5.168 -6.517 1.00 0.00 C ATOM 843 C GLY A 56 11.144 -5.592 -6.360 1.00 0.00 C ATOM 844 O GLY A 56 10.269 -4.968 -6.956 1.00 0.00 O ATOM 0 H GLY A 56 13.463 -5.697 -4.695 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.700 -4.111 -6.267 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.898 -5.275 -7.562 1.00 0.00 H new ATOM 848 N GLU A 57 10.856 -6.613 -5.549 1.00 0.00 N ATOM 849 CA GLU A 57 9.515 -7.155 -5.354 1.00 0.00 C ATOM 850 C GLU A 57 9.112 -7.012 -3.876 1.00 0.00 C ATOM 851 O GLU A 57 9.957 -7.186 -2.990 1.00 0.00 O ATOM 852 CB GLU A 57 9.541 -8.621 -5.816 1.00 0.00 C ATOM 853 CG GLU A 57 8.164 -9.243 -6.077 1.00 0.00 C ATOM 854 CD GLU A 57 8.295 -10.745 -6.343 1.00 0.00 C ATOM 855 OE1 GLU A 57 9.053 -11.154 -7.256 1.00 0.00 O ATOM 856 OE2 GLU A 57 7.715 -11.542 -5.570 1.00 0.00 O ATOM 0 H GLU A 57 11.567 -7.095 -4.999 1.00 0.00 H new ATOM 0 HA GLU A 57 8.770 -6.614 -5.936 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.132 -8.688 -6.729 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.054 -9.215 -5.060 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.514 -9.075 -5.218 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.695 -8.756 -6.932 1.00 0.00 H new ATOM 863 N LEU A 58 7.839 -6.713 -3.596 1.00 0.00 N ATOM 864 CA LEU A 58 7.250 -6.619 -2.261 1.00 0.00 C ATOM 865 C LEU A 58 6.154 -7.669 -2.107 1.00 0.00 C ATOM 866 O LEU A 58 5.164 -7.634 -2.840 1.00 0.00 O ATOM 867 CB LEU A 58 6.653 -5.215 -2.041 1.00 0.00 C ATOM 868 CG LEU A 58 5.850 -5.069 -0.724 1.00 0.00 C ATOM 869 CD1 LEU A 58 6.722 -5.274 0.519 1.00 0.00 C ATOM 870 CD2 LEU A 58 5.181 -3.696 -0.663 1.00 0.00 C ATOM 0 H LEU A 58 7.160 -6.521 -4.333 1.00 0.00 H new ATOM 0 HA LEU A 58 8.029 -6.794 -1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.461 -4.484 -2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.001 -4.973 -2.880 1.00 0.00 H new ATOM 0 HG LEU A 58 5.091 -5.852 -0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.111 -5.161 1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.155 -6.274 0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.521 -4.533 0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.620 -3.606 0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.943 -2.918 -0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.502 -3.584 -1.509 1.00 0.00 H new ATOM 882 N THR A 59 6.275 -8.536 -1.107 1.00 0.00 N ATOM 883 CA THR A 59 5.193 -9.390 -0.625 1.00 0.00 C ATOM 884 C THR A 59 4.712 -8.931 0.757 1.00 0.00 C ATOM 885 O THR A 59 5.445 -8.243 1.471 1.00 0.00 O ATOM 886 CB THR A 59 5.666 -10.855 -0.552 1.00 0.00 C ATOM 887 OG1 THR A 59 6.816 -10.993 0.275 1.00 0.00 O ATOM 888 CG2 THR A 59 5.964 -11.423 -1.942 1.00 0.00 C ATOM 0 H THR A 59 7.148 -8.668 -0.597 1.00 0.00 H new ATOM 0 HA THR A 59 4.361 -9.315 -1.326 1.00 0.00 H new ATOM 0 HB THR A 59 4.847 -11.423 -0.111 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.089 -11.934 0.301 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.295 -12.457 -1.849 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.062 -11.384 -2.552 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.748 -10.833 -2.416 1.00 0.00 H new ATOM 896 N ALA A 60 3.553 -9.434 1.193 1.00 0.00 N ATOM 897 CA ALA A 60 3.234 -9.644 2.600 1.00 0.00 C ATOM 898 C ALA A 60 2.720 -11.071 2.777 1.00 0.00 C ATOM 899 O ALA A 60 1.519 -11.353 2.726 1.00 0.00 O ATOM 900 CB ALA A 60 2.256 -8.602 3.130 1.00 0.00 C ATOM 0 H ALA A 60 2.800 -9.710 0.563 1.00 0.00 H new ATOM 0 HA ALA A 60 4.137 -9.517 3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.049 -8.799 4.182 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.692 -7.608 3.026 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.327 -8.652 2.561 1.00 0.00 H new ATOM 906 N LYS A 61 3.658 -11.996 2.965 1.00 0.00 N ATOM 907 CA LYS A 61 3.368 -13.352 3.396 1.00 0.00 C ATOM 908 C LYS A 61 3.029 -13.301 4.888 1.00 0.00 C ATOM 909 O LYS A 61 3.944 -13.199 5.713 1.00 0.00 O ATOM 910 CB LYS A 61 4.593 -14.230 3.105 1.00 0.00 C ATOM 911 CG LYS A 61 4.262 -15.695 3.386 1.00 0.00 C ATOM 912 CD LYS A 61 5.515 -16.563 3.405 1.00 0.00 C ATOM 913 CE LYS A 61 5.119 -17.978 3.821 1.00 0.00 C ATOM 914 NZ LYS A 61 6.299 -18.774 4.194 1.00 0.00 N ATOM 0 H LYS A 61 4.652 -11.818 2.819 1.00 0.00 H new ATOM 0 HA LYS A 61 2.521 -13.783 2.863 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.898 -14.110 2.066 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.433 -13.913 3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.750 -15.775 4.345 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.575 -16.065 2.625 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.982 -16.575 2.420 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.248 -16.155 4.101 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.427 -17.932 4.662 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.592 -18.467 3.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.999 -19.730 4.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.946 -18.836 3.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.787 -18.319 4.992 1.00 0.00 H new ATOM 928 N GLY A 62 1.751 -13.325 5.260 1.00 0.00 N ATOM 929 CA GLY A 62 1.299 -13.211 6.643 1.00 0.00 C ATOM 930 C GLY A 62 0.561 -11.899 6.890 1.00 0.00 C ATOM 931 O GLY A 62 0.840 -11.206 7.872 1.00 0.00 O ATOM 0 H GLY A 62 0.985 -13.426 4.594 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.643 -14.048 6.881 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.156 -13.278 7.313 1.00 0.00 H new ATOM 935 N LEU A 63 -0.390 -11.546 6.022 1.00 0.00 N ATOM 936 CA LEU A 63 -1.289 -10.418 6.183 1.00 0.00 C ATOM 937 C LEU A 63 -2.250 -10.658 7.361 1.00 0.00 C ATOM 938 O LEU A 63 -2.383 -11.778 7.864 1.00 0.00 O ATOM 939 CB LEU A 63 -2.070 -10.256 4.864 1.00 0.00 C ATOM 940 CG LEU A 63 -2.365 -8.805 4.486 1.00 0.00 C ATOM 941 CD1 LEU A 63 -1.119 -8.090 3.957 1.00 0.00 C ATOM 942 CD2 LEU A 63 -3.438 -8.758 3.392 1.00 0.00 C ATOM 0 H LEU A 63 -0.555 -12.062 5.158 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.728 -9.510 6.404 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.502 -10.721 4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.012 -10.798 4.944 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.707 -8.302 5.390 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.371 -7.061 3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.345 -8.093 4.724 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.752 -8.606 3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.643 -7.721 3.128 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.083 -9.293 2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.352 -9.226 3.758 1.00 0.00 H new ATOM 954 N ALA A 64 -2.986 -9.643 7.801 1.00 0.00 N ATOM 955 CA ALA A 64 -4.211 -9.769 8.589 1.00 0.00 C ATOM 956 C ALA A 64 -5.160 -8.669 8.134 1.00 0.00 C ATOM 957 O ALA A 64 -4.697 -7.697 7.538 1.00 0.00 O ATOM 958 CB ALA A 64 -3.926 -9.611 10.084 1.00 0.00 C ATOM 0 H ALA A 64 -2.738 -8.672 7.612 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.645 -10.757 8.438 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.856 -9.710 10.644 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.226 -10.383 10.404 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.493 -8.628 10.270 1.00 0.00 H new ATOM 964 N MET A 65 -6.455 -8.814 8.418 1.00 0.00 N ATOM 965 CA MET A 65 -7.534 -7.883 8.091 1.00 0.00 C ATOM 966 C MET A 65 -8.649 -8.070 9.136 1.00 0.00 C ATOM 967 O MET A 65 -8.451 -8.762 10.145 1.00 0.00 O ATOM 968 CB MET A 65 -8.062 -8.150 6.666 1.00 0.00 C ATOM 969 CG MET A 65 -6.980 -8.133 5.582 1.00 0.00 C ATOM 970 SD MET A 65 -7.591 -8.345 3.900 1.00 0.00 S ATOM 971 CE MET A 65 -8.083 -6.643 3.545 1.00 0.00 C ATOM 0 H MET A 65 -6.799 -9.636 8.914 1.00 0.00 H new ATOM 0 HA MET A 65 -7.171 -6.855 8.114 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.560 -9.119 6.651 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.815 -7.401 6.423 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.441 -7.187 5.641 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.260 -8.924 5.794 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.721 -6.626 2.662 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.630 -6.237 4.396 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.195 -6.038 3.363 1.00 0.00 H new ATOM 981 N THR A 66 -9.810 -7.447 8.936 1.00 0.00 N ATOM 982 CA THR A 66 -11.046 -7.764 9.647 1.00 0.00 C ATOM 983 C THR A 66 -12.200 -7.905 8.630 1.00 0.00 C ATOM 984 O THR A 66 -11.977 -8.035 7.424 1.00 0.00 O ATOM 985 CB THR A 66 -11.308 -6.778 10.819 1.00 0.00 C ATOM 986 OG1 THR A 66 -12.099 -5.669 10.452 1.00 0.00 O ATOM 987 CG2 THR A 66 -10.066 -6.206 11.518 1.00 0.00 C ATOM 0 H THR A 66 -9.919 -6.691 8.260 1.00 0.00 H new ATOM 0 HA THR A 66 -10.958 -8.730 10.144 1.00 0.00 H new ATOM 0 HB THR A 66 -11.829 -7.433 11.518 1.00 0.00 H new ATOM 0 HG1 THR A 66 -12.732 -5.466 11.172 1.00 0.00 H new ATOM 0 HG21 THR A 66 -10.376 -5.532 12.317 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.477 -7.021 11.939 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.462 -5.658 10.795 1.00 0.00 H new ATOM 995 N ARG A 67 -13.455 -7.887 9.098 1.00 0.00 N ATOM 996 CA ARG A 67 -14.662 -7.944 8.268 1.00 0.00 C ATOM 997 C ARG A 67 -15.585 -6.765 8.566 1.00 0.00 C ATOM 998 O ARG A 67 -16.751 -6.955 8.904 1.00 0.00 O ATOM 999 CB ARG A 67 -15.340 -9.330 8.370 1.00 0.00 C ATOM 1000 CG ARG A 67 -15.435 -9.991 9.756 1.00 0.00 C ATOM 1001 CD ARG A 67 -16.269 -9.236 10.797 1.00 0.00 C ATOM 1002 NE ARG A 67 -16.290 -9.977 12.063 1.00 0.00 N ATOM 1003 CZ ARG A 67 -16.635 -9.531 13.273 1.00 0.00 C ATOM 1004 NH1 ARG A 67 -17.014 -8.275 13.464 1.00 0.00 N ATOM 1005 NH2 ARG A 67 -16.566 -10.366 14.303 1.00 0.00 N ATOM 0 H ARG A 67 -13.663 -7.831 10.095 1.00 0.00 H new ATOM 0 HA ARG A 67 -14.384 -7.836 7.220 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -16.352 -9.236 7.976 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -14.803 -10.013 7.711 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -15.856 -10.989 9.634 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -14.426 -10.117 10.148 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -15.852 -8.242 10.956 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -17.286 -9.100 10.430 1.00 0.00 H new ATOM 0 HE ARG A 67 -16.005 -10.955 12.012 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -17.046 -7.627 12.677 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -17.273 -7.957 14.398 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -16.254 -11.327 14.161 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -16.825 -10.047 15.237 1.00 0.00 H new ATOM 1019 N MET A 68 -15.069 -5.534 8.516 1.00 0.00 N ATOM 1020 CA MET A 68 -15.910 -4.339 8.508 1.00 0.00 C ATOM 1021 C MET A 68 -15.985 -3.790 7.093 1.00 0.00 C ATOM 1022 O MET A 68 -15.124 -4.064 6.261 1.00 0.00 O ATOM 1023 CB MET A 68 -15.393 -3.264 9.468 1.00 0.00 C ATOM 1024 CG MET A 68 -14.094 -2.621 8.977 1.00 0.00 C ATOM 1025 SD MET A 68 -13.314 -1.469 10.131 1.00 0.00 S ATOM 1026 CE MET A 68 -12.847 -2.561 11.489 1.00 0.00 C ATOM 0 H MET A 68 -14.068 -5.341 8.480 1.00 0.00 H new ATOM 0 HA MET A 68 -16.905 -4.622 8.852 1.00 0.00 H new ATOM 0 HB2 MET A 68 -16.154 -2.493 9.590 1.00 0.00 H new ATOM 0 HB3 MET A 68 -15.228 -3.707 10.450 1.00 0.00 H new ATOM 0 HG2 MET A 68 -13.382 -3.413 8.744 1.00 0.00 H new ATOM 0 HG3 MET A 68 -14.299 -2.093 8.046 1.00 0.00 H new ATOM 0 HE1 MET A 68 -12.453 -1.968 12.314 1.00 0.00 H new ATOM 0 HE2 MET A 68 -13.722 -3.116 11.827 1.00 0.00 H new ATOM 0 HE3 MET A 68 -12.083 -3.260 11.148 1.00 0.00 H new ATOM 1036 N MET A 69 -16.972 -2.937 6.875 1.00 0.00 N ATOM 1037 CA MET A 69 -17.396 -2.408 5.591 1.00 0.00 C ATOM 1038 C MET A 69 -17.359 -0.889 5.664 1.00 0.00 C ATOM 1039 O MET A 69 -17.499 -0.298 6.744 1.00 0.00 O ATOM 1040 CB MET A 69 -18.828 -2.874 5.267 1.00 0.00 C ATOM 1041 CG MET A 69 -18.920 -4.345 4.854 1.00 0.00 C ATOM 1042 SD MET A 69 -18.658 -5.545 6.191 1.00 0.00 S ATOM 1043 CE MET A 69 -17.411 -6.576 5.377 1.00 0.00 C ATOM 0 H MET A 69 -17.536 -2.572 7.643 1.00 0.00 H new ATOM 0 HA MET A 69 -16.730 -2.768 4.807 1.00 0.00 H new ATOM 0 HB2 MET A 69 -19.459 -2.711 6.140 1.00 0.00 H new ATOM 0 HB3 MET A 69 -19.229 -2.255 4.464 1.00 0.00 H new ATOM 0 HG2 MET A 69 -19.903 -4.522 4.417 1.00 0.00 H new ATOM 0 HG3 MET A 69 -18.185 -4.532 4.071 1.00 0.00 H new ATOM 0 HE1 MET A 69 -17.114 -7.384 6.046 1.00 0.00 H new ATOM 0 HE2 MET A 69 -17.828 -6.997 4.462 1.00 0.00 H new ATOM 0 HE3 MET A 69 -16.540 -5.968 5.133 1.00 0.00 H new ATOM 1053 N CYS A 70 -17.222 -0.261 4.507 1.00 0.00 N ATOM 1054 CA CYS A 70 -17.059 1.171 4.339 1.00 0.00 C ATOM 1055 C CYS A 70 -18.233 1.742 3.569 1.00 0.00 C ATOM 1056 O CYS A 70 -18.923 1.040 2.835 1.00 0.00 O ATOM 1057 CB CYS A 70 -15.758 1.449 3.594 1.00 0.00 C ATOM 1058 SG CYS A 70 -15.386 0.295 2.247 1.00 0.00 S ATOM 0 H CYS A 70 -17.222 -0.762 3.618 1.00 0.00 H new ATOM 0 HA CYS A 70 -17.022 1.647 5.319 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -15.799 2.459 3.186 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -14.935 1.427 4.309 1.00 0.00 H new ATOM 1063 N ALA A 71 -18.407 3.052 3.697 1.00 0.00 N ATOM 1064 CA ALA A 71 -19.422 3.815 2.993 1.00 0.00 C ATOM 1065 C ALA A 71 -19.017 4.113 1.537 1.00 0.00 C ATOM 1066 O ALA A 71 -19.528 5.070 0.955 1.00 0.00 O ATOM 1067 CB ALA A 71 -19.660 5.104 3.790 1.00 0.00 C ATOM 0 H ALA A 71 -17.828 3.625 4.311 1.00 0.00 H new ATOM 0 HA ALA A 71 -20.343 3.235 2.925 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -20.419 5.706 3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.999 4.853 4.795 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.731 5.670 3.852 1.00 0.00 H new ATOM 1073 N ASN A 72 -18.033 3.415 0.961 1.00 0.00 N ATOM 1074 CA ASN A 72 -17.493 3.720 -0.366 1.00 0.00 C ATOM 1075 C ASN A 72 -17.324 2.404 -1.136 1.00 0.00 C ATOM 1076 O ASN A 72 -16.948 1.408 -0.517 1.00 0.00 O ATOM 1077 CB ASN A 72 -16.150 4.447 -0.149 1.00 0.00 C ATOM 1078 CG ASN A 72 -15.405 4.815 -1.427 1.00 0.00 C ATOM 1079 OD1 ASN A 72 -15.008 3.944 -2.184 1.00 0.00 O ATOM 1080 ND2 ASN A 72 -15.155 6.087 -1.682 1.00 0.00 N ATOM 0 H ASN A 72 -17.585 2.615 1.408 1.00 0.00 H new ATOM 0 HA ASN A 72 -18.152 4.360 -0.952 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -16.334 5.357 0.422 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -15.505 3.814 0.461 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -14.627 6.346 -2.516 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.490 6.810 -1.045 1.00 0.00 H new ATOM 1087 N PRO A 73 -17.566 2.377 -2.463 1.00 0.00 N ATOM 1088 CA PRO A 73 -17.424 1.170 -3.272 1.00 0.00 C ATOM 1089 C PRO A 73 -15.954 0.793 -3.461 1.00 0.00 C ATOM 1090 O PRO A 73 -15.574 -0.341 -3.181 1.00 0.00 O ATOM 1091 CB PRO A 73 -18.095 1.486 -4.615 1.00 0.00 C ATOM 1092 CG PRO A 73 -18.017 3.009 -4.720 1.00 0.00 C ATOM 1093 CD PRO A 73 -18.088 3.474 -3.269 1.00 0.00 C ATOM 0 HA PRO A 73 -17.889 0.312 -2.787 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.577 1.002 -5.443 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.127 1.137 -4.637 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -17.092 3.331 -5.199 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -18.839 3.413 -5.311 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -17.499 4.379 -3.121 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.114 3.711 -2.986 1.00 0.00 H new ATOM 1101 N GLN A 74 -15.135 1.741 -3.924 1.00 0.00 N ATOM 1102 CA GLN A 74 -13.735 1.527 -4.245 1.00 0.00 C ATOM 1103 C GLN A 74 -12.998 1.011 -3.018 1.00 0.00 C ATOM 1104 O GLN A 74 -12.237 0.065 -3.133 1.00 0.00 O ATOM 1105 CB GLN A 74 -13.102 2.818 -4.797 1.00 0.00 C ATOM 1106 CG GLN A 74 -11.705 2.543 -5.377 1.00 0.00 C ATOM 1107 CD GLN A 74 -11.027 3.778 -5.963 1.00 0.00 C ATOM 1108 OE1 GLN A 74 -11.638 4.581 -6.666 1.00 0.00 O ATOM 1109 NE2 GLN A 74 -9.741 3.965 -5.719 1.00 0.00 N ATOM 0 H GLN A 74 -15.442 2.700 -4.088 1.00 0.00 H new ATOM 0 HA GLN A 74 -13.655 0.772 -5.027 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -13.744 3.240 -5.570 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.030 3.560 -4.002 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.071 2.130 -4.592 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -11.788 1.783 -6.154 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -9.231 3.301 -5.136 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -9.259 4.773 -6.113 1.00 0.00 H new ATOM 1118 N LEU A 75 -13.212 1.600 -1.841 1.00 0.00 N ATOM 1119 CA LEU A 75 -12.487 1.181 -0.644 1.00 0.00 C ATOM 1120 C LEU A 75 -12.780 -0.287 -0.306 1.00 0.00 C ATOM 1121 O LEU A 75 -11.866 -1.008 0.094 1.00 0.00 O ATOM 1122 CB LEU A 75 -12.794 2.122 0.530 1.00 0.00 C ATOM 1123 CG LEU A 75 -12.360 3.582 0.288 1.00 0.00 C ATOM 1124 CD1 LEU A 75 -12.753 4.464 1.472 1.00 0.00 C ATOM 1125 CD2 LEU A 75 -10.848 3.713 0.079 1.00 0.00 C ATOM 0 H LEU A 75 -13.875 2.361 -1.693 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.418 1.250 -0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.865 2.100 0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.294 1.748 1.424 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.871 3.906 -0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.438 5.490 1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -13.835 4.435 1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.267 4.097 2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.593 4.760 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.326 3.348 0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.548 3.124 -0.788 1.00 0.00 H new ATOM 1137 N ASN A 76 -14.028 -0.736 -0.469 1.00 0.00 N ATOM 1138 CA ASN A 76 -14.439 -2.134 -0.295 1.00 0.00 C ATOM 1139 C ASN A 76 -13.755 -3.017 -1.346 1.00 0.00 C ATOM 1140 O ASN A 76 -13.130 -4.011 -0.985 1.00 0.00 O ATOM 1141 CB ASN A 76 -15.975 -2.255 -0.374 1.00 0.00 C ATOM 1142 CG ASN A 76 -16.647 -2.647 0.942 1.00 0.00 C ATOM 1143 OD1 ASN A 76 -16.411 -3.712 1.500 1.00 0.00 O ATOM 1144 ND2 ASN A 76 -17.548 -1.823 1.460 1.00 0.00 N ATOM 0 H ASN A 76 -14.800 -0.123 -0.732 1.00 0.00 H new ATOM 0 HA ASN A 76 -14.128 -2.478 0.691 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.385 -1.302 -0.707 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.230 -2.995 -1.133 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -18.039 -2.078 2.317 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -17.750 -0.935 1.001 1.00 0.00 H new ATOM 1151 N GLU A 77 -13.828 -2.639 -2.627 1.00 0.00 N ATOM 1152 CA GLU A 77 -13.157 -3.291 -3.759 1.00 0.00 C ATOM 1153 C GLU A 77 -11.643 -3.414 -3.511 1.00 0.00 C ATOM 1154 O GLU A 77 -10.984 -4.384 -3.901 1.00 0.00 O ATOM 1155 CB GLU A 77 -13.524 -2.506 -5.032 1.00 0.00 C ATOM 1156 CG GLU A 77 -12.579 -2.646 -6.230 1.00 0.00 C ATOM 1157 CD GLU A 77 -13.049 -1.828 -7.444 1.00 0.00 C ATOM 1158 OE1 GLU A 77 -13.057 -0.573 -7.394 1.00 0.00 O ATOM 1159 OE2 GLU A 77 -13.379 -2.439 -8.487 1.00 0.00 O ATOM 0 H GLU A 77 -14.382 -1.833 -2.917 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.496 -4.319 -3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.520 -2.818 -5.347 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.588 -1.449 -4.772 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.579 -2.321 -5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.504 -3.697 -6.510 1.00 0.00 H new ATOM 1166 N LEU A 78 -11.064 -2.426 -2.839 1.00 0.00 N ATOM 1167 CA LEU A 78 -9.640 -2.331 -2.607 1.00 0.00 C ATOM 1168 C LEU A 78 -9.148 -3.322 -1.563 1.00 0.00 C ATOM 1169 O LEU A 78 -7.958 -3.626 -1.604 1.00 0.00 O ATOM 1170 CB LEU A 78 -9.277 -0.895 -2.203 1.00 0.00 C ATOM 1171 CG LEU A 78 -8.790 0.073 -3.293 1.00 0.00 C ATOM 1172 CD1 LEU A 78 -9.352 -0.164 -4.704 1.00 0.00 C ATOM 1173 CD2 LEU A 78 -9.030 1.511 -2.812 1.00 0.00 C ATOM 0 H LEU A 78 -11.591 -1.653 -2.433 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.138 -2.589 -3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.155 -0.451 -1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -8.501 -0.952 -1.439 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.726 -0.121 -3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.940 0.577 -5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.077 -1.163 -5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.438 -0.074 -4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.690 2.211 -3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.094 1.661 -2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.477 1.683 -1.889 1.00 0.00 H new ATOM 1185 N ASP A 79 -10.001 -3.859 -0.681 1.00 0.00 N ATOM 1186 CA ASP A 79 -9.582 -4.881 0.291 1.00 0.00 C ATOM 1187 C ASP A 79 -8.922 -6.056 -0.423 1.00 0.00 C ATOM 1188 O ASP A 79 -7.860 -6.537 -0.014 1.00 0.00 O ATOM 1189 CB ASP A 79 -10.755 -5.359 1.185 1.00 0.00 C ATOM 1190 CG ASP A 79 -11.135 -6.841 0.989 1.00 0.00 C ATOM 1191 OD1 ASP A 79 -10.362 -7.720 1.440 1.00 0.00 O ATOM 1192 OD2 ASP A 79 -12.188 -7.144 0.382 1.00 0.00 O ATOM 0 H ASP A 79 -10.987 -3.603 -0.619 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.851 -4.419 0.954 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.490 -5.199 2.230 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.629 -4.741 0.980 1.00 0.00 H new ATOM 1197 N ASN A 80 -9.557 -6.494 -1.503 1.00 0.00 N ATOM 1198 CA ASN A 80 -9.255 -7.730 -2.180 1.00 0.00 C ATOM 1199 C ASN A 80 -8.383 -7.453 -3.393 1.00 0.00 C ATOM 1200 O ASN A 80 -7.598 -8.317 -3.780 1.00 0.00 O ATOM 1201 CB ASN A 80 -10.559 -8.442 -2.552 1.00 0.00 C ATOM 1202 CG ASN A 80 -11.585 -7.549 -3.227 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -11.618 -7.446 -4.446 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -12.401 -6.859 -2.447 1.00 0.00 N ATOM 0 H ASN A 80 -10.320 -5.975 -1.939 1.00 0.00 H new ATOM 0 HA ASN A 80 -8.694 -8.393 -1.521 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -10.328 -9.276 -3.214 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -11.000 -8.864 -1.649 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -13.081 -6.220 -2.859 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -12.350 -6.966 -1.434 1.00 0.00 H new ATOM 1211 N THR A 81 -8.432 -6.233 -3.930 1.00 0.00 N ATOM 1212 CA THR A 81 -7.392 -5.734 -4.812 1.00 0.00 C ATOM 1213 C THR A 81 -6.038 -5.787 -4.078 1.00 0.00 C ATOM 1214 O THR A 81 -5.120 -6.437 -4.574 1.00 0.00 O ATOM 1215 CB THR A 81 -7.745 -4.326 -5.320 1.00 0.00 C ATOM 1216 OG1 THR A 81 -9.079 -4.256 -5.805 1.00 0.00 O ATOM 1217 CG2 THR A 81 -6.841 -3.915 -6.483 1.00 0.00 C ATOM 0 H THR A 81 -9.191 -5.572 -3.763 1.00 0.00 H new ATOM 0 HA THR A 81 -7.313 -6.365 -5.697 1.00 0.00 H new ATOM 0 HB THR A 81 -7.614 -3.663 -4.464 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.692 -4.102 -5.056 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.114 -2.915 -6.821 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.802 -3.915 -6.154 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.961 -4.621 -7.305 1.00 0.00 H new ATOM 1225 N ILE A 82 -5.884 -5.139 -2.910 1.00 0.00 N ATOM 1226 CA ILE A 82 -4.568 -5.028 -2.277 1.00 0.00 C ATOM 1227 C ILE A 82 -4.060 -6.393 -1.824 1.00 0.00 C ATOM 1228 O ILE A 82 -2.874 -6.662 -1.988 1.00 0.00 O ATOM 1229 CB ILE A 82 -4.529 -3.947 -1.164 1.00 0.00 C ATOM 1230 CG1 ILE A 82 -3.094 -3.561 -0.744 1.00 0.00 C ATOM 1231 CG2 ILE A 82 -5.263 -4.330 0.126 1.00 0.00 C ATOM 1232 CD1 ILE A 82 -2.286 -2.830 -1.823 1.00 0.00 C ATOM 0 H ILE A 82 -6.644 -4.693 -2.396 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.867 -4.672 -3.032 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.040 -3.110 -1.640 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.147 -2.928 0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.558 -4.466 -0.458 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.183 -3.515 0.846 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.314 -4.517 -0.095 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.815 -5.231 0.546 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.292 -2.599 -1.439 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.196 -3.466 -2.704 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.794 -1.905 -2.094 1.00 0.00 H new ATOM 1244 N SER A 83 -4.924 -7.274 -1.314 1.00 0.00 N ATOM 1245 CA SER A 83 -4.478 -8.557 -0.789 1.00 0.00 C ATOM 1246 C SER A 83 -3.718 -9.343 -1.864 1.00 0.00 C ATOM 1247 O SER A 83 -2.612 -9.827 -1.619 1.00 0.00 O ATOM 1248 CB SER A 83 -5.672 -9.346 -0.228 1.00 0.00 C ATOM 1249 OG SER A 83 -5.431 -9.704 1.114 1.00 0.00 O ATOM 0 H SER A 83 -5.931 -7.119 -1.256 1.00 0.00 H new ATOM 0 HA SER A 83 -3.784 -8.386 0.034 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.578 -8.744 -0.294 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.839 -10.241 -0.827 1.00 0.00 H new ATOM 0 HG SER A 83 -6.198 -10.205 1.462 1.00 0.00 H new ATOM 1255 N GLU A 84 -4.258 -9.416 -3.080 1.00 0.00 N ATOM 1256 CA GLU A 84 -3.644 -10.116 -4.189 1.00 0.00 C ATOM 1257 C GLU A 84 -2.561 -9.286 -4.892 1.00 0.00 C ATOM 1258 O GLU A 84 -1.869 -9.833 -5.756 1.00 0.00 O ATOM 1259 CB GLU A 84 -4.760 -10.501 -5.157 1.00 0.00 C ATOM 1260 CG GLU A 84 -5.641 -11.629 -4.604 1.00 0.00 C ATOM 1261 CD GLU A 84 -5.918 -12.704 -5.659 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -6.675 -12.449 -6.626 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -5.380 -13.822 -5.519 1.00 0.00 O ATOM 0 H GLU A 84 -5.149 -8.981 -3.318 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.129 -11.001 -3.815 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.378 -9.627 -5.363 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.324 -10.814 -6.106 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.152 -12.083 -3.742 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.585 -11.213 -4.252 1.00 0.00 H new ATOM 1270 N MET A 85 -2.348 -8.013 -4.528 1.00 0.00 N ATOM 1271 CA MET A 85 -1.147 -7.278 -4.913 1.00 0.00 C ATOM 1272 C MET A 85 -0.026 -7.422 -3.872 1.00 0.00 C ATOM 1273 O MET A 85 1.088 -6.946 -4.089 1.00 0.00 O ATOM 1274 CB MET A 85 -1.419 -5.802 -5.168 1.00 0.00 C ATOM 1275 CG MET A 85 -2.391 -5.538 -6.322 1.00 0.00 C ATOM 1276 SD MET A 85 -2.767 -3.783 -6.593 1.00 0.00 S ATOM 1277 CE MET A 85 -1.105 -3.219 -7.043 1.00 0.00 C ATOM 0 H MET A 85 -3.002 -7.472 -3.962 1.00 0.00 H new ATOM 0 HA MET A 85 -0.818 -7.729 -5.849 1.00 0.00 H new ATOM 0 HB2 MET A 85 -1.821 -5.355 -4.259 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.475 -5.300 -5.380 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.971 -5.953 -7.238 1.00 0.00 H new ATOM 0 HG3 MET A 85 -3.321 -6.071 -6.127 1.00 0.00 H new ATOM 0 HE1 MET A 85 -1.152 -2.186 -7.387 1.00 0.00 H new ATOM 0 HE2 MET A 85 -0.451 -3.283 -6.173 1.00 0.00 H new ATOM 0 HE3 MET A 85 -0.710 -3.849 -7.840 1.00 0.00 H new ATOM 1287 N LEU A 86 -0.285 -8.091 -2.748 1.00 0.00 N ATOM 1288 CA LEU A 86 0.704 -8.332 -1.703 1.00 0.00 C ATOM 1289 C LEU A 86 1.055 -9.808 -1.577 1.00 0.00 C ATOM 1290 O LEU A 86 2.180 -10.135 -1.207 1.00 0.00 O ATOM 1291 CB LEU A 86 0.170 -7.799 -0.368 1.00 0.00 C ATOM 1292 CG LEU A 86 0.507 -6.328 -0.081 1.00 0.00 C ATOM 1293 CD1 LEU A 86 1.981 -6.171 0.320 1.00 0.00 C ATOM 1294 CD2 LEU A 86 0.170 -5.322 -1.185 1.00 0.00 C ATOM 0 H LEU A 86 -1.202 -8.485 -2.537 1.00 0.00 H new ATOM 0 HA LEU A 86 1.619 -7.807 -1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.913 -7.919 -0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.570 -8.413 0.439 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.158 -6.075 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.194 -5.121 0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.178 -6.757 1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.618 -6.524 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.454 -4.320 -0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.716 -5.581 -2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.901 -5.348 -1.386 1.00 0.00 H new ATOM 1306 N LYS A 87 0.117 -10.714 -1.835 1.00 0.00 N ATOM 1307 CA LYS A 87 0.336 -12.138 -1.691 1.00 0.00 C ATOM 1308 C LYS A 87 1.249 -12.654 -2.802 1.00 0.00 C ATOM 1309 O LYS A 87 2.225 -13.346 -2.524 1.00 0.00 O ATOM 1310 CB LYS A 87 -1.038 -12.820 -1.695 1.00 0.00 C ATOM 1311 CG LYS A 87 -1.579 -12.919 -0.260 1.00 0.00 C ATOM 1312 CD LYS A 87 -2.967 -13.562 -0.208 1.00 0.00 C ATOM 1313 CE LYS A 87 -3.384 -13.745 1.255 1.00 0.00 C ATOM 1314 NZ LYS A 87 -4.754 -14.273 1.426 1.00 0.00 N ATOM 0 H LYS A 87 -0.822 -10.472 -2.152 1.00 0.00 H new ATOM 0 HA LYS A 87 0.844 -12.365 -0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.732 -12.254 -2.316 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.958 -13.815 -2.132 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.887 -13.502 0.348 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.626 -11.922 0.178 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.691 -12.935 -0.729 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.954 -14.525 -0.718 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.681 -14.422 1.741 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.308 -12.786 1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.965 -14.370 2.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.435 -13.618 0.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.827 -15.203 0.967 1.00 0.00 H new ATOM 1328 N GLU A 88 0.941 -12.310 -4.049 1.00 0.00 N ATOM 1329 CA GLU A 88 1.611 -12.776 -5.261 1.00 0.00 C ATOM 1330 C GLU A 88 2.916 -12.010 -5.549 1.00 0.00 C ATOM 1331 O GLU A 88 3.608 -12.362 -6.500 1.00 0.00 O ATOM 1332 CB GLU A 88 0.640 -12.723 -6.466 1.00 0.00 C ATOM 1333 CG GLU A 88 -0.716 -13.422 -6.247 1.00 0.00 C ATOM 1334 CD GLU A 88 -0.635 -14.940 -6.432 1.00 0.00 C ATOM 1335 OE1 GLU A 88 -0.637 -15.423 -7.593 1.00 0.00 O ATOM 1336 OE2 GLU A 88 -0.576 -15.666 -5.413 1.00 0.00 O ATOM 0 H GLU A 88 0.178 -11.665 -4.253 1.00 0.00 H new ATOM 0 HA GLU A 88 1.902 -13.813 -5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 88 0.456 -11.679 -6.718 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.130 -13.177 -7.327 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.076 -13.201 -5.242 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.447 -13.014 -6.944 1.00 0.00 H new ATOM 1343 N GLY A 89 3.285 -10.993 -4.763 1.00 0.00 N ATOM 1344 CA GLY A 89 4.499 -10.208 -4.961 1.00 0.00 C ATOM 1345 C GLY A 89 4.266 -9.091 -5.972 1.00 0.00 C ATOM 1346 O GLY A 89 4.145 -9.353 -7.171 1.00 0.00 O ATOM 0 H GLY A 89 2.736 -10.690 -3.958 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.821 -9.782 -4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.303 -10.856 -5.308 1.00 0.00 H new ATOM 1350 N ALA A 90 4.169 -7.846 -5.502 1.00 0.00 N ATOM 1351 CA ALA A 90 4.150 -6.700 -6.414 1.00 0.00 C ATOM 1352 C ALA A 90 5.570 -6.388 -6.845 1.00 0.00 C ATOM 1353 O ALA A 90 6.492 -6.574 -6.056 1.00 0.00 O ATOM 1354 CB ALA A 90 3.564 -5.445 -5.777 1.00 0.00 C ATOM 0 H ALA A 90 4.103 -7.607 -4.513 1.00 0.00 H new ATOM 0 HA ALA A 90 3.519 -6.975 -7.259 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.576 -4.630 -6.501 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.537 -5.640 -5.467 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.159 -5.167 -4.907 1.00 0.00 H new ATOM 1360 N GLN A 91 5.729 -5.813 -8.033 1.00 0.00 N ATOM 1361 CA GLN A 91 6.900 -5.029 -8.338 1.00 0.00 C ATOM 1362 C GLN A 91 6.725 -3.727 -7.572 1.00 0.00 C ATOM 1363 O GLN A 91 5.606 -3.211 -7.457 1.00 0.00 O ATOM 1364 CB GLN A 91 6.982 -4.770 -9.846 1.00 0.00 C ATOM 1365 CG GLN A 91 7.269 -6.032 -10.670 1.00 0.00 C ATOM 1366 CD GLN A 91 8.512 -6.758 -10.165 1.00 0.00 C ATOM 1367 OE1 GLN A 91 9.605 -6.201 -10.149 1.00 0.00 O ATOM 1368 NE2 GLN A 91 8.363 -7.993 -9.719 1.00 0.00 N ATOM 0 H GLN A 91 5.055 -5.881 -8.795 1.00 0.00 H new ATOM 0 HA GLN A 91 7.822 -5.537 -8.054 1.00 0.00 H new ATOM 0 HB2 GLN A 91 6.042 -4.332 -10.183 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.763 -4.035 -10.038 1.00 0.00 H new ATOM 0 HG2 GLN A 91 6.410 -6.702 -10.623 1.00 0.00 H new ATOM 0 HG3 GLN A 91 7.405 -5.761 -11.717 1.00 0.00 H new ATOM 0 HE21 GLN A 91 7.445 -8.436 -9.742 1.00 0.00 H new ATOM 0 HE22 GLN A 91 9.166 -8.503 -9.352 1.00 0.00 H new ATOM 1377 N VAL A 92 7.823 -3.217 -7.035 1.00 0.00 N ATOM 1378 CA VAL A 92 7.842 -1.996 -6.267 1.00 0.00 C ATOM 1379 C VAL A 92 8.949 -1.155 -6.892 1.00 0.00 C ATOM 1380 O VAL A 92 10.129 -1.472 -6.797 1.00 0.00 O ATOM 1381 CB VAL A 92 7.935 -2.321 -4.760 1.00 0.00 C ATOM 1382 CG1 VAL A 92 9.147 -3.162 -4.348 1.00 0.00 C ATOM 1383 CG2 VAL A 92 7.895 -1.039 -3.920 1.00 0.00 C ATOM 0 H VAL A 92 8.740 -3.654 -7.127 1.00 0.00 H new ATOM 0 HA VAL A 92 6.930 -1.400 -6.306 1.00 0.00 H new ATOM 0 HB VAL A 92 7.059 -2.939 -4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 92 9.121 -3.335 -3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 92 9.121 -4.118 -4.870 1.00 0.00 H new ATOM 0 HG13 VAL A 92 10.063 -2.632 -4.608 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.962 -1.295 -2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 92 8.734 -0.399 -4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.960 -0.511 -4.107 1.00 0.00 H new ATOM 1393 N ASP A 93 8.559 -0.094 -7.588 1.00 0.00 N ATOM 1394 CA ASP A 93 9.432 0.676 -8.467 1.00 0.00 C ATOM 1395 C ASP A 93 9.352 2.120 -7.996 1.00 0.00 C ATOM 1396 O ASP A 93 8.601 2.939 -8.525 1.00 0.00 O ATOM 1397 CB ASP A 93 9.043 0.467 -9.940 1.00 0.00 C ATOM 1398 CG ASP A 93 9.852 -0.650 -10.586 1.00 0.00 C ATOM 1399 OD1 ASP A 93 10.916 -0.330 -11.169 1.00 0.00 O ATOM 1400 OD2 ASP A 93 9.394 -1.813 -10.591 1.00 0.00 O ATOM 0 H ASP A 93 7.604 0.264 -7.556 1.00 0.00 H new ATOM 0 HA ASP A 93 10.470 0.348 -8.415 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.981 0.231 -10.005 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.198 1.394 -10.492 1.00 0.00 H new ATOM 1405 N LEU A 94 10.026 2.389 -6.875 1.00 0.00 N ATOM 1406 CA LEU A 94 10.029 3.708 -6.259 1.00 0.00 C ATOM 1407 C LEU A 94 10.974 4.594 -7.055 1.00 0.00 C ATOM 1408 O LEU A 94 12.158 4.286 -7.215 1.00 0.00 O ATOM 1409 CB LEU A 94 10.419 3.625 -4.780 1.00 0.00 C ATOM 1410 CG LEU A 94 10.648 4.963 -4.056 1.00 0.00 C ATOM 1411 CD1 LEU A 94 9.423 5.885 -4.094 1.00 0.00 C ATOM 1412 CD2 LEU A 94 11.005 4.735 -2.589 1.00 0.00 C ATOM 0 H LEU A 94 10.582 1.697 -6.374 1.00 0.00 H new ATOM 0 HA LEU A 94 9.029 4.140 -6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.637 3.080 -4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 94 11.331 3.033 -4.700 1.00 0.00 H new ATOM 0 HG LEU A 94 11.468 5.443 -4.590 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.649 6.812 -3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.169 6.110 -5.130 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.580 5.390 -3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 94 11.162 5.696 -2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 94 10.191 4.204 -2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 94 11.917 4.142 -2.524 1.00 0.00 H new ATOM 1424 N THR A 95 10.411 5.675 -7.559 1.00 0.00 N ATOM 1425 CA THR A 95 11.099 6.814 -8.152 1.00 0.00 C ATOM 1426 C THR A 95 11.464 7.796 -7.018 1.00 0.00 C ATOM 1427 O THR A 95 11.398 7.433 -5.845 1.00 0.00 O ATOM 1428 CB THR A 95 10.220 7.386 -9.292 1.00 0.00 C ATOM 1429 OG1 THR A 95 9.515 6.359 -9.961 1.00 0.00 O ATOM 1430 CG2 THR A 95 11.061 8.091 -10.363 1.00 0.00 C ATOM 0 H THR A 95 9.398 5.792 -7.568 1.00 0.00 H new ATOM 0 HA THR A 95 12.043 6.551 -8.629 1.00 0.00 H new ATOM 0 HB THR A 95 9.539 8.088 -8.811 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.967 6.749 -10.674 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.406 8.477 -11.144 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.611 8.916 -9.909 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.765 7.382 -10.798 1.00 0.00 H new ATOM 1438 N ALA A 96 11.873 9.039 -7.303 1.00 0.00 N ATOM 1439 CA ALA A 96 12.402 9.957 -6.286 1.00 0.00 C ATOM 1440 C ALA A 96 11.501 10.090 -5.041 1.00 0.00 C ATOM 1441 O ALA A 96 11.997 10.195 -3.918 1.00 0.00 O ATOM 1442 CB ALA A 96 12.623 11.330 -6.928 1.00 0.00 C ATOM 0 H ALA A 96 11.847 9.436 -8.242 1.00 0.00 H new ATOM 0 HA ALA A 96 13.342 9.537 -5.928 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.016 12.021 -6.182 1.00 0.00 H new ATOM 0 HB2 ALA A 96 13.335 11.238 -7.748 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.676 11.709 -7.311 1.00 0.00 H new ATOM 1448 N ASN A 97 10.181 10.091 -5.248 1.00 0.00 N ATOM 1449 CA ASN A 97 9.155 10.342 -4.233 1.00 0.00 C ATOM 1450 C ASN A 97 7.799 9.736 -4.640 1.00 0.00 C ATOM 1451 O ASN A 97 6.761 10.107 -4.085 1.00 0.00 O ATOM 1452 CB ASN A 97 9.055 11.859 -3.947 1.00 0.00 C ATOM 1453 CG ASN A 97 9.316 12.723 -5.173 1.00 0.00 C ATOM 1454 OD1 ASN A 97 8.613 12.646 -6.172 1.00 0.00 O ATOM 1455 ND2 ASN A 97 10.394 13.492 -5.147 1.00 0.00 N ATOM 0 H ASN A 97 9.781 9.909 -6.169 1.00 0.00 H new ATOM 0 HA ASN A 97 9.448 9.844 -3.309 1.00 0.00 H new ATOM 0 HB2 ASN A 97 8.062 12.083 -3.558 1.00 0.00 H new ATOM 0 HB3 ASN A 97 9.770 12.122 -3.167 1.00 0.00 H new ATOM 0 HD21 ASN A 97 10.653 14.035 -5.971 1.00 0.00 H new ATOM 0 HD22 ASN A 97 10.965 13.541 -4.303 1.00 0.00 H new ATOM 1462 N GLN A 98 7.778 8.787 -5.585 1.00 0.00 N ATOM 1463 CA GLN A 98 6.550 8.177 -6.085 1.00 0.00 C ATOM 1464 C GLN A 98 6.732 6.664 -6.198 1.00 0.00 C ATOM 1465 O GLN A 98 7.608 6.183 -6.912 1.00 0.00 O ATOM 1466 CB GLN A 98 6.152 8.825 -7.416 1.00 0.00 C ATOM 1467 CG GLN A 98 4.700 8.514 -7.799 1.00 0.00 C ATOM 1468 CD GLN A 98 4.122 9.580 -8.725 1.00 0.00 C ATOM 1469 OE1 GLN A 98 3.580 10.581 -8.258 1.00 0.00 O ATOM 1470 NE2 GLN A 98 4.213 9.429 -10.029 1.00 0.00 N ATOM 0 H GLN A 98 8.623 8.421 -6.024 1.00 0.00 H new ATOM 0 HA GLN A 98 5.732 8.351 -5.386 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.285 9.905 -7.347 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.818 8.472 -8.204 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.653 7.541 -8.289 1.00 0.00 H new ATOM 0 HG3 GLN A 98 4.092 8.446 -6.897 1.00 0.00 H new ATOM 0 HE21 GLN A 98 4.662 8.599 -10.416 1.00 0.00 H new ATOM 0 HE22 GLN A 98 3.834 10.142 -10.653 1.00 0.00 H new ATOM 1479 N LEU A 99 5.940 5.937 -5.418 1.00 0.00 N ATOM 1480 CA LEU A 99 5.845 4.487 -5.358 1.00 0.00 C ATOM 1481 C LEU A 99 5.031 4.014 -6.570 1.00 0.00 C ATOM 1482 O LEU A 99 3.846 4.353 -6.675 1.00 0.00 O ATOM 1483 CB LEU A 99 5.126 4.091 -4.045 1.00 0.00 C ATOM 1484 CG LEU A 99 5.548 2.797 -3.335 1.00 0.00 C ATOM 1485 CD1 LEU A 99 6.986 2.819 -2.835 1.00 0.00 C ATOM 1486 CD2 LEU A 99 4.619 2.532 -2.141 1.00 0.00 C ATOM 0 H LEU A 99 5.299 6.383 -4.761 1.00 0.00 H new ATOM 0 HA LEU A 99 6.833 4.027 -5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.252 4.912 -3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.060 4.017 -4.261 1.00 0.00 H new ATOM 0 HG LEU A 99 5.473 2.004 -4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.215 1.873 -2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.662 2.964 -3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.112 3.636 -2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.923 1.613 -1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.681 3.364 -1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.593 2.431 -2.494 1.00 0.00 H new ATOM 1498 N THR A 100 5.634 3.220 -7.450 1.00 0.00 N ATOM 1499 CA THR A 100 4.927 2.448 -8.464 1.00 0.00 C ATOM 1500 C THR A 100 4.701 1.046 -7.876 1.00 0.00 C ATOM 1501 O THR A 100 5.661 0.287 -7.721 1.00 0.00 O ATOM 1502 CB THR A 100 5.760 2.385 -9.760 1.00 0.00 C ATOM 1503 OG1 THR A 100 6.286 3.644 -10.140 1.00 0.00 O ATOM 1504 CG2 THR A 100 4.948 1.842 -10.935 1.00 0.00 C ATOM 0 H THR A 100 6.646 3.094 -7.478 1.00 0.00 H new ATOM 0 HA THR A 100 3.973 2.908 -8.722 1.00 0.00 H new ATOM 0 HB THR A 100 6.584 1.710 -9.529 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.160 3.775 -9.717 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.573 1.815 -11.828 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.602 0.835 -10.703 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.089 2.489 -11.113 1.00 0.00 H new ATOM 1512 N LEU A 101 3.469 0.702 -7.487 1.00 0.00 N ATOM 1513 CA LEU A 101 3.073 -0.671 -7.174 1.00 0.00 C ATOM 1514 C LEU A 101 2.452 -1.263 -8.423 1.00 0.00 C ATOM 1515 O LEU A 101 1.397 -0.781 -8.825 1.00 0.00 O ATOM 1516 CB LEU A 101 2.026 -0.671 -6.044 1.00 0.00 C ATOM 1517 CG LEU A 101 2.585 -0.977 -4.652 1.00 0.00 C ATOM 1518 CD1 LEU A 101 2.844 -2.467 -4.443 1.00 0.00 C ATOM 1519 CD2 LEU A 101 3.858 -0.201 -4.345 1.00 0.00 C ATOM 0 H LEU A 101 2.712 1.378 -7.380 1.00 0.00 H new ATOM 0 HA LEU A 101 3.938 -1.250 -6.852 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.539 0.304 -6.019 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.256 -1.406 -6.281 1.00 0.00 H new ATOM 0 HG LEU A 101 1.808 -0.654 -3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.240 -2.630 -3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.911 -3.018 -4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.567 -2.818 -5.180 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.209 -0.458 -3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.625 -0.457 -5.076 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.653 0.868 -4.394 1.00 0.00 H new ATOM 1531 N ALA A 102 3.053 -2.307 -8.995 1.00 0.00 N ATOM 1532 CA ALA A 102 2.514 -3.011 -10.152 1.00 0.00 C ATOM 1533 C ALA A 102 2.427 -4.506 -9.847 1.00 0.00 C ATOM 1534 O ALA A 102 3.285 -5.075 -9.169 1.00 0.00 O ATOM 1535 CB ALA A 102 3.383 -2.724 -11.380 1.00 0.00 C ATOM 0 H ALA A 102 3.938 -2.690 -8.662 1.00 0.00 H new ATOM 0 HA ALA A 102 1.506 -2.659 -10.371 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.978 -3.251 -12.244 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.389 -1.652 -11.579 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.402 -3.064 -11.192 1.00 0.00 H new ATOM 1541 N THR A 103 1.355 -5.165 -10.266 1.00 0.00 N ATOM 1542 CA THR A 103 1.104 -6.578 -10.107 1.00 0.00 C ATOM 1543 C THR A 103 0.141 -7.013 -11.212 1.00 0.00 C ATOM 1544 O THR A 103 -0.447 -6.176 -11.899 1.00 0.00 O ATOM 1545 CB THR A 103 0.466 -6.827 -8.726 1.00 0.00 C ATOM 1546 OG1 THR A 103 0.784 -5.830 -7.770 1.00 0.00 O ATOM 1547 CG2 THR A 103 1.009 -8.113 -8.137 1.00 0.00 C ATOM 0 H THR A 103 0.595 -4.692 -10.755 1.00 0.00 H new ATOM 0 HA THR A 103 2.032 -7.146 -10.174 1.00 0.00 H new ATOM 0 HB THR A 103 -0.609 -6.844 -8.906 1.00 0.00 H new ATOM 0 HG1 THR A 103 0.789 -6.226 -6.874 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.556 -8.286 -7.161 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.772 -8.945 -8.800 1.00 0.00 H new ATOM 0 HG23 THR A 103 2.090 -8.034 -8.026 1.00 0.00 H new ATOM 1555 N ALA A 104 -0.084 -8.322 -11.341 1.00 0.00 N ATOM 1556 CA ALA A 104 -1.011 -8.857 -12.326 1.00 0.00 C ATOM 1557 C ALA A 104 -2.467 -8.427 -12.074 1.00 0.00 C ATOM 1558 O ALA A 104 -3.263 -8.446 -13.017 1.00 0.00 O ATOM 1559 CB ALA A 104 -0.878 -10.380 -12.375 1.00 0.00 C ATOM 0 H ALA A 104 0.370 -9.033 -10.767 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.745 -8.439 -13.297 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.572 -10.782 -13.113 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.142 -10.647 -12.652 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.109 -10.797 -11.395 1.00 0.00 H new ATOM 1565 N LYS A 105 -2.832 -8.039 -10.839 1.00 0.00 N ATOM 1566 CA LYS A 105 -4.156 -7.504 -10.528 1.00 0.00 C ATOM 1567 C LYS A 105 -4.332 -6.147 -11.199 1.00 0.00 C ATOM 1568 O LYS A 105 -5.102 -6.054 -12.157 1.00 0.00 O ATOM 1569 CB LYS A 105 -4.400 -7.394 -9.011 1.00 0.00 C ATOM 1570 CG LYS A 105 -4.848 -8.699 -8.335 1.00 0.00 C ATOM 1571 CD LYS A 105 -6.363 -8.840 -8.103 1.00 0.00 C ATOM 1572 CE LYS A 105 -7.078 -9.753 -9.108 1.00 0.00 C ATOM 1573 NZ LYS A 105 -7.886 -10.792 -8.425 1.00 0.00 N ATOM 0 H LYS A 105 -2.211 -8.090 -10.032 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.897 -8.202 -10.917 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.482 -7.050 -8.533 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.157 -6.630 -8.833 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.512 -9.537 -8.945 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.342 -8.782 -7.373 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.529 -9.227 -7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.818 -7.850 -8.143 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.723 -9.153 -9.750 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -6.341 -10.231 -9.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.286 -11.441 -9.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.282 -11.325 -7.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.658 -10.339 -7.895 1.00 0.00 H new ATOM 1587 N GLN A 106 -3.695 -5.113 -10.648 1.00 0.00 N ATOM 1588 CA GLN A 106 -3.748 -3.718 -11.061 1.00 0.00 C ATOM 1589 C GLN A 106 -2.377 -3.089 -10.770 1.00 0.00 C ATOM 1590 O GLN A 106 -1.491 -3.733 -10.203 1.00 0.00 O ATOM 1591 CB GLN A 106 -4.913 -2.974 -10.358 1.00 0.00 C ATOM 1592 CG GLN A 106 -6.204 -3.031 -11.193 1.00 0.00 C ATOM 1593 CD GLN A 106 -7.514 -2.791 -10.446 1.00 0.00 C ATOM 1594 OE1 GLN A 106 -8.562 -3.196 -10.937 1.00 0.00 O ATOM 1595 NE2 GLN A 106 -7.526 -2.144 -9.292 1.00 0.00 N ATOM 0 H GLN A 106 -3.084 -5.243 -9.842 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.953 -3.638 -12.129 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -5.092 -3.419 -9.379 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.633 -1.934 -10.190 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.127 -2.292 -11.990 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -6.258 -4.010 -11.670 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.652 -1.808 -8.886 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.409 -1.981 -8.808 1.00 0.00 H new ATOM 1604 N THR A 107 -2.215 -1.812 -11.110 1.00 0.00 N ATOM 1605 CA THR A 107 -1.069 -0.979 -10.765 1.00 0.00 C ATOM 1606 C THR A 107 -1.613 0.318 -10.134 1.00 0.00 C ATOM 1607 O THR A 107 -2.802 0.623 -10.296 1.00 0.00 O ATOM 1608 CB THR A 107 -0.139 -0.810 -11.996 1.00 0.00 C ATOM 1609 OG1 THR A 107 0.782 0.242 -11.811 1.00 0.00 O ATOM 1610 CG2 THR A 107 -0.899 -0.553 -13.298 1.00 0.00 C ATOM 0 H THR A 107 -2.912 -1.308 -11.659 1.00 0.00 H new ATOM 0 HA THR A 107 -0.419 -1.435 -10.018 1.00 0.00 H new ATOM 0 HB THR A 107 0.385 -1.762 -12.082 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.177 0.177 -10.917 1.00 0.00 H new ATOM 0 HG21 THR A 107 -0.189 -0.444 -14.118 1.00 0.00 H new ATOM 0 HG22 THR A 107 -1.564 -1.392 -13.503 1.00 0.00 H new ATOM 0 HG23 THR A 107 -1.486 0.361 -13.203 1.00 0.00 H new ATOM 1618 N LEU A 108 -0.796 1.031 -9.348 1.00 0.00 N ATOM 1619 CA LEU A 108 -1.180 2.178 -8.516 1.00 0.00 C ATOM 1620 C LEU A 108 -0.045 3.199 -8.456 1.00 0.00 C ATOM 1621 O LEU A 108 1.118 2.844 -8.678 1.00 0.00 O ATOM 1622 CB LEU A 108 -1.451 1.726 -7.066 1.00 0.00 C ATOM 1623 CG LEU A 108 -2.576 0.701 -6.867 1.00 0.00 C ATOM 1624 CD1 LEU A 108 -2.593 0.268 -5.400 1.00 0.00 C ATOM 1625 CD2 LEU A 108 -3.947 1.266 -7.238 1.00 0.00 C ATOM 0 H LEU A 108 0.198 0.813 -9.272 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.074 2.616 -8.961 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.530 1.305 -6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.685 2.609 -6.471 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.380 -0.145 -7.525 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.389 -0.461 -5.245 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.634 -0.181 -5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.769 1.137 -4.766 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.710 0.503 -7.080 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.165 2.132 -6.613 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.945 1.566 -8.286 1.00 0.00 H new ATOM 1637 N THR A 109 -0.369 4.430 -8.048 1.00 0.00 N ATOM 1638 CA THR A 109 0.580 5.499 -7.769 1.00 0.00 C ATOM 1639 C THR A 109 0.378 5.952 -6.318 1.00 0.00 C ATOM 1640 O THR A 109 -0.674 6.504 -5.971 1.00 0.00 O ATOM 1641 CB THR A 109 0.364 6.654 -8.760 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.581 6.236 -10.096 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.329 7.809 -8.498 1.00 0.00 C ATOM 0 H THR A 109 -1.337 4.714 -7.899 1.00 0.00 H new ATOM 0 HA THR A 109 1.606 5.152 -7.891 1.00 0.00 H new ATOM 0 HB THR A 109 -0.667 6.978 -8.619 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.435 6.991 -10.703 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.146 8.606 -9.218 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.175 8.190 -7.488 1.00 0.00 H new ATOM 0 HG23 THR A 109 2.355 7.456 -8.600 1.00 0.00 H new ATOM 1651 N TYR A 110 1.388 5.753 -5.469 1.00 0.00 N ATOM 1652 CA TYR A 110 1.391 6.300 -4.116 1.00 0.00 C ATOM 1653 C TYR A 110 2.430 7.415 -4.016 1.00 0.00 C ATOM 1654 O TYR A 110 3.505 7.324 -4.611 1.00 0.00 O ATOM 1655 CB TYR A 110 1.675 5.208 -3.089 1.00 0.00 C ATOM 1656 CG TYR A 110 0.681 4.068 -3.003 1.00 0.00 C ATOM 1657 CD1 TYR A 110 -0.384 4.219 -2.117 1.00 0.00 C ATOM 1658 CD2 TYR A 110 0.851 2.843 -3.678 1.00 0.00 C ATOM 1659 CE1 TYR A 110 -1.217 3.147 -1.786 1.00 0.00 C ATOM 1660 CE2 TYR A 110 -0.022 1.769 -3.401 1.00 0.00 C ATOM 1661 CZ TYR A 110 -1.032 1.904 -2.416 1.00 0.00 C ATOM 1662 OH TYR A 110 -1.771 0.834 -2.009 1.00 0.00 O ATOM 0 H TYR A 110 2.221 5.211 -5.700 1.00 0.00 H new ATOM 0 HA TYR A 110 0.405 6.711 -3.901 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.656 4.786 -3.306 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.740 5.676 -2.107 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -0.570 5.187 -1.676 1.00 0.00 H new ATOM 0 HD2 TYR A 110 1.644 2.727 -4.402 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -1.998 3.273 -1.051 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.080 0.840 -3.942 1.00 0.00 H new ATOM 0 HH TYR A 110 -1.529 0.048 -2.541 1.00 0.00 H new ATOM 1672 N LYS A 111 2.125 8.466 -3.252 1.00 0.00 N ATOM 1673 CA LYS A 111 2.991 9.631 -3.083 1.00 0.00 C ATOM 1674 C LYS A 111 3.757 9.495 -1.777 1.00 0.00 C ATOM 1675 O LYS A 111 3.159 9.075 -0.783 1.00 0.00 O ATOM 1676 CB LYS A 111 2.111 10.892 -3.022 1.00 0.00 C ATOM 1677 CG LYS A 111 2.825 12.201 -3.381 1.00 0.00 C ATOM 1678 CD LYS A 111 3.225 12.313 -4.857 1.00 0.00 C ATOM 1679 CE LYS A 111 1.976 12.361 -5.745 1.00 0.00 C ATOM 1680 NZ LYS A 111 2.283 12.770 -7.127 1.00 0.00 N ATOM 0 H LYS A 111 1.254 8.531 -2.725 1.00 0.00 H new ATOM 0 HA LYS A 111 3.692 9.702 -3.914 1.00 0.00 H new ATOM 0 HB2 LYS A 111 1.266 10.760 -3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.703 10.983 -2.015 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.175 13.038 -3.128 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.720 12.295 -2.765 1.00 0.00 H new ATOM 0 HD2 LYS A 111 3.824 13.211 -5.011 1.00 0.00 H new ATOM 0 HD3 LYS A 111 3.847 11.463 -5.138 1.00 0.00 H new ATOM 0 HE2 LYS A 111 1.504 11.379 -5.756 1.00 0.00 H new ATOM 0 HE3 LYS A 111 1.255 13.056 -5.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 1.402 12.820 -7.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 2.740 13.704 -7.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.924 12.075 -7.561 1.00 0.00 H new ATOM 1694 N LEU A 112 5.021 9.923 -1.744 1.00 0.00 N ATOM 1695 CA LEU A 112 5.819 10.115 -0.528 1.00 0.00 C ATOM 1696 C LEU A 112 5.326 11.380 0.191 1.00 0.00 C ATOM 1697 O LEU A 112 6.060 12.359 0.362 1.00 0.00 O ATOM 1698 CB LEU A 112 7.318 10.201 -0.889 1.00 0.00 C ATOM 1699 CG LEU A 112 8.269 10.261 0.330 1.00 0.00 C ATOM 1700 CD1 LEU A 112 8.471 8.884 0.960 1.00 0.00 C ATOM 1701 CD2 LEU A 112 9.628 10.832 -0.092 1.00 0.00 C ATOM 0 H LEU A 112 5.537 10.154 -2.593 1.00 0.00 H new ATOM 0 HA LEU A 112 5.699 9.267 0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.582 9.336 -1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.480 11.086 -1.504 1.00 0.00 H new ATOM 0 HG LEU A 112 7.807 10.910 1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.145 8.969 1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 112 7.510 8.493 1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.902 8.206 0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.291 10.870 0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.068 10.194 -0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.492 11.838 -0.490 1.00 0.00 H new ATOM 1713 N ALA A 113 4.055 11.390 0.577 1.00 0.00 N ATOM 1714 CA ALA A 113 3.502 12.377 1.482 1.00 0.00 C ATOM 1715 C ALA A 113 3.856 11.925 2.903 1.00 0.00 C ATOM 1716 O ALA A 113 3.017 11.383 3.628 1.00 0.00 O ATOM 1717 CB ALA A 113 1.996 12.516 1.232 1.00 0.00 C ATOM 0 H ALA A 113 3.374 10.699 0.262 1.00 0.00 H new ATOM 0 HA ALA A 113 3.918 13.372 1.325 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.581 13.259 1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.826 12.832 0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.509 11.556 1.402 1.00 0.00 H new ATOM 1723 N ASP A 114 5.116 12.103 3.306 1.00 0.00 N ATOM 1724 CA ASP A 114 5.603 11.698 4.621 1.00 0.00 C ATOM 1725 C ASP A 114 5.554 12.836 5.631 1.00 0.00 C ATOM 1726 O ASP A 114 6.495 13.120 6.367 1.00 0.00 O ATOM 1727 CB ASP A 114 6.928 10.934 4.610 1.00 0.00 C ATOM 1728 CG ASP A 114 8.200 11.741 4.297 1.00 0.00 C ATOM 1729 OD1 ASP A 114 8.107 12.832 3.687 1.00 0.00 O ATOM 1730 OD2 ASP A 114 9.315 11.237 4.581 1.00 0.00 O ATOM 0 H ASP A 114 5.831 12.536 2.722 1.00 0.00 H new ATOM 0 HA ASP A 114 4.891 10.950 4.969 1.00 0.00 H new ATOM 0 HB2 ASP A 114 7.056 10.465 5.586 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.849 10.130 3.878 1.00 0.00 H new