USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 737 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 29 GLN : amide:sc= 0.898 K(o=-0.81,f=-5.2) USER MOD Set 1.2: A 30 HIS : no HE2:sc= -1.71! C(o=-0.81!,f=-7.3!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 150:sc= -0.123 (180deg=-0.666) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= -0.15 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.853 K(o=-0.85,f=-4.6!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -2.21! K(o=-2.2!,f=-0.95) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 72:sc= 0.568 USER MOD Single : A 57 TYR OH : rot 180:sc= -1.25 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0507 USER MOD Single : A 59 TYR OH : rot 180:sc= -1.6! USER MOD Single : A 61 ASN : amide:sc= -3.52! C(o=-3.5!,f=-4.7!) USER MOD Single : A 62 THR OG1 : rot 29:sc= -0.176 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0893 K(o=-0.089,f=-1.6!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -2.83 K(o=-2.8,f=-1.2) USER MOD Single : A 74 SER OG : rot -169:sc= -0.696 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -3.92! K(o=-3.9!,f=-0.47) USER MOD Single : A 95 THR OG1 : rot 180:sc= -1.13! USER MOD Single : A 96 THR OG1 : rot 62:sc= -0.196 USER MOD Single : A 98 ASN : amide:sc= -2.52 K(o=-2.5,f=-0.38) USER MOD Single : A 100 TYR OH : rot 180:sc= -1.48 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -5.34! C(o=-5.3!,f=-8.7!) USER MOD Single : A 115 TYR OH : rot 180:sc= 0.0405 USER MOD Single : A 116 SER OG : rot -18:sc= -0.459 USER MOD Single : A 117 HIS : no HE2:sc= -3.49! C(o=-3.5!,f=-8.3!) USER MOD Single : A 125 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.144) USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 16.712 -25.949 -24.331 1.00 0.00 N ATOM 2 CA GLY A 15 16.390 -25.112 -23.188 1.00 0.00 C ATOM 3 C GLY A 15 17.067 -25.632 -21.919 1.00 0.00 C ATOM 4 O GLY A 15 18.150 -25.173 -21.556 1.00 0.00 O ATOM 0 HA2 GLY A 15 16.710 -24.088 -23.381 1.00 0.00 H new ATOM 0 HA3 GLY A 15 15.310 -25.087 -23.044 1.00 0.00 H new ATOM 8 N SER A 16 16.403 -26.583 -21.278 1.00 0.00 N ATOM 9 CA SER A 16 16.929 -27.171 -20.057 1.00 0.00 C ATOM 10 C SER A 16 17.084 -26.092 -18.983 1.00 0.00 C ATOM 11 O SER A 16 17.096 -24.901 -19.291 1.00 0.00 O ATOM 12 CB SER A 16 18.268 -27.864 -20.312 1.00 0.00 C ATOM 13 OG SER A 16 18.107 -29.254 -20.583 1.00 0.00 O ATOM 0 H SER A 16 15.505 -26.961 -21.581 1.00 0.00 H new ATOM 0 HA SER A 16 16.223 -27.924 -19.707 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.769 -27.386 -21.154 1.00 0.00 H new ATOM 0 HB3 SER A 16 18.913 -27.736 -19.443 1.00 0.00 H new ATOM 0 HG SER A 16 18.985 -29.660 -20.742 1.00 0.00 H new ATOM 18 N GLY A 17 17.200 -26.549 -17.745 1.00 0.00 N ATOM 19 CA GLY A 17 17.355 -25.638 -16.623 1.00 0.00 C ATOM 20 C GLY A 17 17.225 -26.381 -15.292 1.00 0.00 C ATOM 21 O GLY A 17 16.818 -27.542 -15.261 1.00 0.00 O ATOM 0 H GLY A 17 17.190 -27.538 -17.494 1.00 0.00 H new ATOM 0 HA2 GLY A 17 18.328 -25.150 -16.678 1.00 0.00 H new ATOM 0 HA3 GLY A 17 16.601 -24.853 -16.681 1.00 0.00 H new ATOM 25 N MET A 18 17.576 -25.682 -14.223 1.00 0.00 N ATOM 26 CA MET A 18 17.504 -26.261 -12.892 1.00 0.00 C ATOM 27 C MET A 18 17.595 -25.176 -11.817 1.00 0.00 C ATOM 28 O MET A 18 18.639 -24.547 -11.650 1.00 0.00 O ATOM 29 CB MET A 18 18.647 -27.260 -12.707 1.00 0.00 C ATOM 30 CG MET A 18 19.986 -26.644 -13.120 1.00 0.00 C ATOM 31 SD MET A 18 20.776 -27.668 -14.350 1.00 0.00 S ATOM 32 CE MET A 18 20.992 -26.471 -15.656 1.00 0.00 C ATOM 0 H MET A 18 17.911 -24.719 -14.251 1.00 0.00 H new ATOM 0 HA MET A 18 16.545 -26.769 -12.789 1.00 0.00 H new ATOM 0 HB2 MET A 18 18.694 -27.576 -11.665 1.00 0.00 H new ATOM 0 HB3 MET A 18 18.454 -28.153 -13.302 1.00 0.00 H new ATOM 0 HG2 MET A 18 19.827 -25.641 -13.517 1.00 0.00 H new ATOM 0 HG3 MET A 18 20.633 -26.543 -12.249 1.00 0.00 H new ATOM 0 HE1 MET A 18 21.877 -26.725 -16.239 1.00 0.00 H new ATOM 0 HE2 MET A 18 20.116 -26.478 -16.304 1.00 0.00 H new ATOM 0 HE3 MET A 18 21.115 -25.478 -15.223 1.00 0.00 H new ATOM 40 N LYS A 19 16.486 -24.989 -11.116 1.00 0.00 N ATOM 41 CA LYS A 19 16.427 -23.991 -10.061 1.00 0.00 C ATOM 42 C LYS A 19 15.251 -24.304 -9.134 1.00 0.00 C ATOM 43 O LYS A 19 14.419 -25.154 -9.446 1.00 0.00 O ATOM 44 CB LYS A 19 16.381 -22.583 -10.658 1.00 0.00 C ATOM 45 CG LYS A 19 15.109 -22.379 -11.482 1.00 0.00 C ATOM 46 CD LYS A 19 14.299 -21.191 -10.957 1.00 0.00 C ATOM 47 CE LYS A 19 14.417 -19.989 -11.895 1.00 0.00 C ATOM 48 NZ LYS A 19 13.083 -19.402 -12.155 1.00 0.00 N ATOM 0 H LYS A 19 15.622 -25.511 -11.258 1.00 0.00 H new ATOM 0 HA LYS A 19 17.331 -24.026 -9.453 1.00 0.00 H new ATOM 0 HB2 LYS A 19 16.423 -21.843 -9.858 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.256 -22.422 -11.287 1.00 0.00 H new ATOM 0 HG2 LYS A 19 15.371 -22.211 -12.527 1.00 0.00 H new ATOM 0 HG3 LYS A 19 14.500 -23.282 -11.447 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.252 -21.477 -10.856 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.652 -20.917 -9.963 1.00 0.00 H new ATOM 0 HE2 LYS A 19 15.072 -19.238 -11.453 1.00 0.00 H new ATOM 0 HE3 LYS A 19 14.875 -20.297 -12.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.181 -18.587 -12.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.470 -20.116 -12.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.660 -19.090 -11.258 1.00 0.00 H new ATOM 58 N GLU A 20 15.221 -23.602 -8.011 1.00 0.00 N ATOM 59 CA GLU A 20 14.161 -23.794 -7.036 1.00 0.00 C ATOM 60 C GLU A 20 14.430 -22.954 -5.787 1.00 0.00 C ATOM 61 O GLU A 20 13.509 -22.377 -5.211 1.00 0.00 O ATOM 62 CB GLU A 20 14.007 -25.273 -6.680 1.00 0.00 C ATOM 63 CG GLU A 20 15.361 -25.900 -6.339 1.00 0.00 C ATOM 64 CD GLU A 20 15.352 -27.405 -6.611 1.00 0.00 C ATOM 65 OE1 GLU A 20 15.540 -27.770 -7.792 1.00 0.00 O ATOM 66 OE2 GLU A 20 15.157 -28.158 -5.632 1.00 0.00 O ATOM 0 H GLU A 20 15.914 -22.899 -7.754 1.00 0.00 H new ATOM 0 HA GLU A 20 13.222 -23.461 -7.478 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.330 -25.378 -5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 20 13.556 -25.807 -7.516 1.00 0.00 H new ATOM 0 HG2 GLU A 20 16.145 -25.425 -6.929 1.00 0.00 H new ATOM 0 HG3 GLU A 20 15.597 -25.718 -5.290 1.00 0.00 H new ATOM 71 N THR A 21 15.698 -22.911 -5.402 1.00 0.00 N ATOM 72 CA THR A 21 16.101 -22.152 -4.231 1.00 0.00 C ATOM 73 C THR A 21 15.503 -20.744 -4.278 1.00 0.00 C ATOM 74 O THR A 21 15.323 -20.177 -5.355 1.00 0.00 O ATOM 75 CB THR A 21 17.629 -22.160 -4.164 1.00 0.00 C ATOM 76 OG1 THR A 21 17.930 -21.401 -2.997 1.00 0.00 O ATOM 77 CG2 THR A 21 18.270 -21.365 -5.302 1.00 0.00 C ATOM 0 H THR A 21 16.460 -23.390 -5.882 1.00 0.00 H new ATOM 0 HA THR A 21 15.719 -22.605 -3.316 1.00 0.00 H new ATOM 0 HB THR A 21 17.987 -23.189 -4.194 1.00 0.00 H new ATOM 0 HG1 THR A 21 18.902 -21.357 -2.877 1.00 0.00 H new ATOM 0 HG21 THR A 21 19.355 -21.403 -5.207 1.00 0.00 H new ATOM 0 HG22 THR A 21 17.974 -21.796 -6.259 1.00 0.00 H new ATOM 0 HG23 THR A 21 17.938 -20.328 -5.253 1.00 0.00 H new ATOM 85 N ALA A 22 15.212 -20.220 -3.097 1.00 0.00 N ATOM 86 CA ALA A 22 14.638 -18.889 -2.989 1.00 0.00 C ATOM 87 C ALA A 22 14.817 -18.375 -1.559 1.00 0.00 C ATOM 88 O ALA A 22 15.605 -17.461 -1.318 1.00 0.00 O ATOM 89 CB ALA A 22 13.168 -18.931 -3.414 1.00 0.00 C ATOM 0 H ALA A 22 15.363 -20.693 -2.206 1.00 0.00 H new ATOM 0 HA ALA A 22 15.151 -18.195 -3.655 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.737 -17.933 -3.333 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.097 -19.274 -4.446 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.621 -19.616 -2.766 1.00 0.00 H new ATOM 95 N ALA A 23 14.074 -18.985 -0.647 1.00 0.00 N ATOM 96 CA ALA A 23 14.142 -18.600 0.752 1.00 0.00 C ATOM 97 C ALA A 23 13.692 -17.145 0.899 1.00 0.00 C ATOM 98 O ALA A 23 13.896 -16.335 -0.004 1.00 0.00 O ATOM 99 CB ALA A 23 15.560 -18.829 1.277 1.00 0.00 C ATOM 0 H ALA A 23 13.422 -19.743 -0.850 1.00 0.00 H new ATOM 0 HA ALA A 23 13.470 -19.214 1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.610 -18.540 2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 23 15.819 -19.883 1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 23 16.263 -18.227 0.701 1.00 0.00 H new ATOM 105 N ALA A 24 13.091 -16.858 2.044 1.00 0.00 N ATOM 106 CA ALA A 24 12.611 -15.514 2.321 1.00 0.00 C ATOM 107 C ALA A 24 12.212 -15.413 3.795 1.00 0.00 C ATOM 108 O ALA A 24 11.327 -16.134 4.253 1.00 0.00 O ATOM 109 CB ALA A 24 11.452 -15.182 1.379 1.00 0.00 C ATOM 0 H ALA A 24 12.925 -17.533 2.791 1.00 0.00 H new ATOM 0 HA ALA A 24 13.397 -14.781 2.142 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.092 -14.174 1.586 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.795 -15.239 0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.642 -15.895 1.533 1.00 0.00 H new ATOM 115 N LYS A 25 12.885 -14.513 4.496 1.00 0.00 N ATOM 116 CA LYS A 25 12.612 -14.308 5.909 1.00 0.00 C ATOM 117 C LYS A 25 13.296 -13.021 6.375 1.00 0.00 C ATOM 118 O LYS A 25 14.522 -12.937 6.391 1.00 0.00 O ATOM 119 CB LYS A 25 13.011 -15.545 6.717 1.00 0.00 C ATOM 120 CG LYS A 25 14.399 -16.041 6.307 1.00 0.00 C ATOM 121 CD LYS A 25 14.302 -17.076 5.183 1.00 0.00 C ATOM 122 CE LYS A 25 15.288 -18.223 5.408 1.00 0.00 C ATOM 123 NZ LYS A 25 14.565 -19.471 5.746 1.00 0.00 N ATOM 0 H LYS A 25 13.619 -13.917 4.112 1.00 0.00 H new ATOM 0 HA LYS A 25 11.543 -14.179 6.076 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.005 -15.307 7.781 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.278 -16.337 6.564 1.00 0.00 H new ATOM 0 HG2 LYS A 25 15.008 -15.199 5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.901 -16.481 7.169 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.287 -17.469 5.132 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.507 -16.598 4.225 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.888 -18.375 4.511 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.977 -17.966 6.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 15.250 -20.239 5.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.011 -19.327 6.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.926 -19.724 4.966 1.00 0.00 H new ATOM 133 N PHE A 26 12.472 -12.051 6.742 1.00 0.00 N ATOM 134 CA PHE A 26 12.982 -10.772 7.207 1.00 0.00 C ATOM 135 C PHE A 26 11.859 -9.738 7.309 1.00 0.00 C ATOM 136 O PHE A 26 10.898 -9.782 6.543 1.00 0.00 O ATOM 137 CB PHE A 26 14.005 -10.296 6.174 1.00 0.00 C ATOM 138 CG PHE A 26 15.445 -10.266 6.692 1.00 0.00 C ATOM 139 CD1 PHE A 26 15.767 -9.487 7.759 1.00 0.00 C ATOM 140 CD2 PHE A 26 16.401 -11.020 6.086 1.00 0.00 C ATOM 141 CE1 PHE A 26 17.103 -9.459 8.240 1.00 0.00 C ATOM 142 CE2 PHE A 26 17.736 -10.992 6.567 1.00 0.00 C ATOM 143 CZ PHE A 26 18.059 -10.212 7.634 1.00 0.00 C ATOM 0 H PHE A 26 11.455 -12.125 6.727 1.00 0.00 H new ATOM 0 HA PHE A 26 13.425 -10.886 8.196 1.00 0.00 H new ATOM 0 HB2 PHE A 26 13.957 -10.949 5.302 1.00 0.00 H new ATOM 0 HB3 PHE A 26 13.729 -9.296 5.839 1.00 0.00 H new ATOM 0 HD1 PHE A 26 15.007 -8.890 8.241 1.00 0.00 H new ATOM 0 HD2 PHE A 26 16.144 -11.640 5.239 1.00 0.00 H new ATOM 0 HE1 PHE A 26 17.359 -8.840 9.087 1.00 0.00 H new ATOM 0 HE2 PHE A 26 18.496 -11.590 6.086 1.00 0.00 H new ATOM 0 HZ PHE A 26 19.075 -10.191 8.000 1.00 0.00 H new ATOM 152 N GLU A 27 12.017 -8.832 8.262 1.00 0.00 N ATOM 153 CA GLU A 27 11.028 -7.788 8.474 1.00 0.00 C ATOM 154 C GLU A 27 9.685 -8.403 8.874 1.00 0.00 C ATOM 155 O GLU A 27 9.434 -9.579 8.612 1.00 0.00 O ATOM 156 CB GLU A 27 10.882 -6.911 7.230 1.00 0.00 C ATOM 157 CG GLU A 27 11.798 -5.688 7.310 1.00 0.00 C ATOM 158 CD GLU A 27 12.545 -5.476 5.991 1.00 0.00 C ATOM 159 OE1 GLU A 27 11.920 -4.906 5.071 1.00 0.00 O ATOM 160 OE2 GLU A 27 13.723 -5.889 5.933 1.00 0.00 O ATOM 0 H GLU A 27 12.815 -8.799 8.896 1.00 0.00 H new ATOM 0 HA GLU A 27 11.370 -7.150 9.289 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.123 -7.493 6.340 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.846 -6.588 7.128 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.208 -4.802 7.545 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.514 -5.818 8.121 1.00 0.00 H new ATOM 165 N ARG A 28 8.857 -7.580 9.501 1.00 0.00 N ATOM 166 CA ARG A 28 7.546 -8.028 9.938 1.00 0.00 C ATOM 167 C ARG A 28 6.890 -8.887 8.856 1.00 0.00 C ATOM 168 O ARG A 28 7.288 -8.838 7.693 1.00 0.00 O ATOM 169 CB ARG A 28 6.637 -6.840 10.259 1.00 0.00 C ATOM 170 CG ARG A 28 6.781 -6.420 11.723 1.00 0.00 C ATOM 171 CD ARG A 28 7.445 -5.045 11.835 1.00 0.00 C ATOM 172 NE ARG A 28 8.883 -5.203 12.150 1.00 0.00 N ATOM 173 CZ ARG A 28 9.744 -4.182 12.259 1.00 0.00 C ATOM 174 NH1 ARG A 28 9.318 -2.924 12.081 1.00 0.00 N ATOM 175 NH2 ARG A 28 11.031 -4.419 12.547 1.00 0.00 N ATOM 0 H ARG A 28 9.069 -6.606 9.717 1.00 0.00 H new ATOM 0 HA ARG A 28 7.683 -8.621 10.843 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.887 -6.001 9.610 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.600 -7.105 10.053 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.799 -6.394 12.196 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.374 -7.160 12.261 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.327 -4.497 10.900 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.956 -4.458 12.612 1.00 0.00 H new ATOM 0 HE ARG A 28 9.240 -6.148 12.293 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.338 -2.743 11.863 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.974 -2.147 12.164 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.355 -5.376 12.683 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.687 -3.642 12.630 1.00 0.00 H new ATOM 186 N GLN A 29 5.894 -9.653 9.276 1.00 0.00 N ATOM 187 CA GLN A 29 5.178 -10.521 8.356 1.00 0.00 C ATOM 188 C GLN A 29 3.757 -10.001 8.132 1.00 0.00 C ATOM 189 O GLN A 29 3.361 -9.736 6.998 1.00 0.00 O ATOM 190 CB GLN A 29 5.160 -11.964 8.866 1.00 0.00 C ATOM 191 CG GLN A 29 4.941 -12.949 7.715 1.00 0.00 C ATOM 192 CD GLN A 29 3.739 -13.856 7.992 1.00 0.00 C ATOM 193 OE1 GLN A 29 2.597 -13.429 8.008 1.00 0.00 O ATOM 194 NE2 GLN A 29 4.061 -15.128 8.208 1.00 0.00 N ATOM 0 H GLN A 29 5.566 -9.691 10.241 1.00 0.00 H new ATOM 0 HA GLN A 29 5.701 -10.514 7.400 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.102 -12.188 9.367 1.00 0.00 H new ATOM 0 HB3 GLN A 29 4.369 -12.082 9.606 1.00 0.00 H new ATOM 0 HG2 GLN A 29 4.781 -12.400 6.787 1.00 0.00 H new ATOM 0 HG3 GLN A 29 5.835 -13.556 7.576 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.038 -15.419 8.180 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.331 -15.813 8.402 1.00 0.00 H new ATOM 201 N HIS A 30 3.029 -9.870 9.231 1.00 0.00 N ATOM 202 CA HIS A 30 1.661 -9.386 9.169 1.00 0.00 C ATOM 203 C HIS A 30 1.066 -9.344 10.579 1.00 0.00 C ATOM 204 O HIS A 30 0.864 -10.385 11.202 1.00 0.00 O ATOM 205 CB HIS A 30 0.829 -10.229 8.200 1.00 0.00 C ATOM 206 CG HIS A 30 -0.100 -11.207 8.879 1.00 0.00 C ATOM 207 ND1 HIS A 30 0.080 -12.577 8.819 1.00 0.00 N ATOM 208 CD2 HIS A 30 -1.218 -10.998 9.632 1.00 0.00 C ATOM 209 CE1 HIS A 30 -0.892 -13.158 9.509 1.00 0.00 C ATOM 210 NE2 HIS A 30 -1.696 -12.177 10.011 1.00 0.00 N ATOM 0 H HIS A 30 3.361 -10.091 10.170 1.00 0.00 H new ATOM 0 HA HIS A 30 1.650 -8.369 8.777 1.00 0.00 H new ATOM 0 HB2 HIS A 30 0.241 -9.563 7.568 1.00 0.00 H new ATOM 0 HB3 HIS A 30 1.502 -10.779 7.543 1.00 0.00 H new ATOM 0 HD1 HIS A 30 0.833 -13.059 8.327 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -1.643 -10.036 9.878 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -1.024 -14.221 9.649 1.00 0.00 H new ATOM 217 N MET A 31 0.803 -8.130 11.039 1.00 0.00 N ATOM 218 CA MET A 31 0.236 -7.939 12.364 1.00 0.00 C ATOM 219 C MET A 31 0.257 -6.462 12.761 1.00 0.00 C ATOM 220 O MET A 31 1.173 -5.729 12.394 1.00 0.00 O ATOM 221 CB MET A 31 1.037 -8.752 13.384 1.00 0.00 C ATOM 222 CG MET A 31 0.193 -9.891 13.960 1.00 0.00 C ATOM 223 SD MET A 31 -0.166 -9.576 15.680 1.00 0.00 S ATOM 224 CE MET A 31 -0.086 -11.239 16.323 1.00 0.00 C ATOM 0 H MET A 31 0.972 -7.269 10.519 1.00 0.00 H new ATOM 0 HA MET A 31 -0.800 -8.278 12.348 1.00 0.00 H new ATOM 0 HB2 MET A 31 1.930 -9.160 12.909 1.00 0.00 H new ATOM 0 HB3 MET A 31 1.374 -8.100 14.190 1.00 0.00 H new ATOM 0 HG2 MET A 31 -0.736 -9.986 13.398 1.00 0.00 H new ATOM 0 HG3 MET A 31 0.726 -10.837 13.858 1.00 0.00 H new ATOM 0 HE1 MET A 31 -0.288 -11.225 17.394 1.00 0.00 H new ATOM 0 HE2 MET A 31 -0.829 -11.859 15.822 1.00 0.00 H new ATOM 0 HE3 MET A 31 0.908 -11.650 16.146 1.00 0.00 H new ATOM 232 N ASP A 32 -0.767 -6.068 13.505 1.00 0.00 N ATOM 233 CA ASP A 32 -0.879 -4.691 13.955 1.00 0.00 C ATOM 234 C ASP A 32 -0.953 -3.766 12.739 1.00 0.00 C ATOM 235 O ASP A 32 -0.436 -4.094 11.673 1.00 0.00 O ATOM 236 CB ASP A 32 0.339 -4.283 14.787 1.00 0.00 C ATOM 237 CG ASP A 32 0.328 -2.836 15.284 1.00 0.00 C ATOM 238 OD1 ASP A 32 -0.629 -2.494 16.012 1.00 0.00 O ATOM 239 OD2 ASP A 32 1.275 -2.104 14.924 1.00 0.00 O ATOM 0 H ASP A 32 -1.526 -6.679 13.807 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.778 -4.608 14.566 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.410 -4.947 15.649 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.237 -4.439 14.189 1.00 0.00 H new ATOM 243 N SER A 33 -1.602 -2.628 12.941 1.00 0.00 N ATOM 244 CA SER A 33 -1.750 -1.653 11.875 1.00 0.00 C ATOM 245 C SER A 33 -1.840 -0.243 12.462 1.00 0.00 C ATOM 246 O SER A 33 -2.268 -0.067 13.602 1.00 0.00 O ATOM 247 CB SER A 33 -2.986 -1.952 11.023 1.00 0.00 C ATOM 248 OG SER A 33 -3.147 -3.348 10.786 1.00 0.00 O ATOM 0 H SER A 33 -2.031 -2.360 13.827 1.00 0.00 H new ATOM 0 HA SER A 33 -0.873 -1.716 11.231 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.873 -1.565 11.524 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.904 -1.430 10.070 1.00 0.00 H new ATOM 0 HG SER A 33 -3.947 -3.497 10.240 1.00 0.00 H new ATOM 253 N PRO A 34 -1.418 0.752 11.637 1.00 0.00 N ATOM 254 CA PRO A 34 -1.446 2.141 12.063 1.00 0.00 C ATOM 255 C PRO A 34 -2.874 2.689 12.051 1.00 0.00 C ATOM 256 O PRO A 34 -3.837 1.924 12.033 1.00 0.00 O ATOM 257 CB PRO A 34 -0.522 2.867 11.099 1.00 0.00 C ATOM 258 CG PRO A 34 -0.377 1.953 9.893 1.00 0.00 C ATOM 259 CD PRO A 34 -0.904 0.582 10.280 1.00 0.00 C ATOM 0 HA PRO A 34 -1.109 2.273 13.091 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.939 3.832 10.810 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.446 3.063 11.559 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.934 2.350 9.044 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.667 1.888 9.587 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.688 0.252 9.598 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.115 -0.169 10.247 1.00 0.00 H new ATOM 264 N ASP A 35 -2.966 4.011 12.062 1.00 0.00 N ATOM 265 CA ASP A 35 -4.261 4.671 12.052 1.00 0.00 C ATOM 266 C ASP A 35 -5.223 3.911 12.967 1.00 0.00 C ATOM 267 O ASP A 35 -4.791 3.181 13.859 1.00 0.00 O ATOM 268 CB ASP A 35 -4.861 4.686 10.645 1.00 0.00 C ATOM 269 CG ASP A 35 -5.500 6.012 10.229 1.00 0.00 C ATOM 270 OD1 ASP A 35 -5.040 7.052 10.749 1.00 0.00 O ATOM 271 OD2 ASP A 35 -6.434 5.957 9.401 1.00 0.00 O ATOM 0 H ASP A 35 -2.165 4.643 12.078 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.119 5.696 12.395 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.077 4.437 9.929 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.614 3.901 10.579 1.00 0.00 H new ATOM 275 N LEU A 36 -6.508 4.108 12.716 1.00 0.00 N ATOM 276 CA LEU A 36 -7.535 3.450 13.506 1.00 0.00 C ATOM 277 C LEU A 36 -8.914 3.860 12.986 1.00 0.00 C ATOM 278 O LEU A 36 -9.645 3.036 12.438 1.00 0.00 O ATOM 279 CB LEU A 36 -7.330 3.737 14.995 1.00 0.00 C ATOM 280 CG LEU A 36 -7.213 2.511 15.904 1.00 0.00 C ATOM 281 CD1 LEU A 36 -6.688 2.901 17.287 1.00 0.00 C ATOM 282 CD2 LEU A 36 -8.543 1.760 15.986 1.00 0.00 C ATOM 0 H LEU A 36 -6.862 4.714 11.976 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.463 2.368 13.399 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.427 4.336 15.108 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.163 4.346 15.345 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.485 1.829 15.465 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.615 2.011 17.912 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.703 3.357 17.187 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.372 3.613 17.748 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.432 0.894 16.638 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.310 2.421 16.389 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.836 1.429 14.990 1.00 0.00 H new ATOM 293 N GLY A 37 -9.229 5.133 13.176 1.00 0.00 N ATOM 294 CA GLY A 37 -10.507 5.661 12.732 1.00 0.00 C ATOM 295 C GLY A 37 -10.374 7.120 12.292 1.00 0.00 C ATOM 296 O GLY A 37 -10.684 7.459 11.149 1.00 0.00 O ATOM 0 H GLY A 37 -8.621 5.814 13.631 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.885 5.061 11.904 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.236 5.586 13.539 1.00 0.00 H new ATOM 300 N THR A 38 -9.913 7.946 13.220 1.00 0.00 N ATOM 301 CA THR A 38 -9.735 9.361 12.941 1.00 0.00 C ATOM 302 C THR A 38 -9.134 9.559 11.549 1.00 0.00 C ATOM 303 O THR A 38 -8.124 8.943 11.211 1.00 0.00 O ATOM 304 CB THR A 38 -8.883 9.959 14.061 1.00 0.00 C ATOM 305 OG1 THR A 38 -9.746 9.952 15.196 1.00 0.00 O ATOM 306 CG2 THR A 38 -8.576 11.441 13.836 1.00 0.00 C ATOM 0 H THR A 38 -9.657 7.662 14.166 1.00 0.00 H new ATOM 0 HA THR A 38 -10.691 9.884 12.925 1.00 0.00 H new ATOM 0 HB THR A 38 -7.949 9.403 14.142 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.272 10.322 15.970 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.969 11.816 14.660 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.031 11.562 12.900 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.509 12.003 13.788 1.00 0.00 H new ATOM 314 N THR A 39 -9.780 10.420 10.777 1.00 0.00 N ATOM 315 CA THR A 39 -9.322 10.707 9.428 1.00 0.00 C ATOM 316 C THR A 39 -9.332 9.434 8.579 1.00 0.00 C ATOM 317 O THR A 39 -8.307 8.767 8.441 1.00 0.00 O ATOM 318 CB THR A 39 -7.942 11.361 9.526 1.00 0.00 C ATOM 319 OG1 THR A 39 -8.214 12.673 10.010 1.00 0.00 O ATOM 320 CG2 THR A 39 -7.305 11.593 8.155 1.00 0.00 C ATOM 0 H THR A 39 -10.618 10.929 11.060 1.00 0.00 H new ATOM 0 HA THR A 39 -9.992 11.402 8.923 1.00 0.00 H new ATOM 0 HB THR A 39 -7.285 10.734 10.129 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.373 13.167 10.105 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.328 12.059 8.282 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.188 10.638 7.642 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.945 12.247 7.563 1.00 0.00 H new ATOM 328 N LEU A 40 -10.500 9.134 8.032 1.00 0.00 N ATOM 329 CA LEU A 40 -10.657 7.953 7.201 1.00 0.00 C ATOM 330 C LEU A 40 -9.459 7.837 6.256 1.00 0.00 C ATOM 331 O LEU A 40 -8.877 8.846 5.860 1.00 0.00 O ATOM 332 CB LEU A 40 -12.008 7.980 6.482 1.00 0.00 C ATOM 333 CG LEU A 40 -12.176 9.057 5.409 1.00 0.00 C ATOM 334 CD1 LEU A 40 -12.835 8.483 4.154 1.00 0.00 C ATOM 335 CD2 LEU A 40 -12.943 10.262 5.959 1.00 0.00 C ATOM 0 H LEU A 40 -11.348 9.689 8.148 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.667 7.053 7.815 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.170 7.006 6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -12.791 8.113 7.228 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.186 9.409 5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.943 9.270 3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.215 7.683 3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.818 8.087 4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -13.049 11.014 5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -13.931 9.943 6.292 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.396 10.688 6.800 1.00 0.00 H new ATOM 346 N LEU A 41 -9.128 6.599 5.921 1.00 0.00 N ATOM 347 CA LEU A 41 -8.010 6.339 5.030 1.00 0.00 C ATOM 348 C LEU A 41 -8.483 6.452 3.580 1.00 0.00 C ATOM 349 O LEU A 41 -7.728 6.163 2.652 1.00 0.00 O ATOM 350 CB LEU A 41 -7.363 4.993 5.362 1.00 0.00 C ATOM 351 CG LEU A 41 -8.286 3.773 5.315 1.00 0.00 C ATOM 352 CD1 LEU A 41 -7.870 2.813 4.200 1.00 0.00 C ATOM 353 CD2 LEU A 41 -8.347 3.079 6.677 1.00 0.00 C ATOM 0 H LEU A 41 -9.614 5.765 6.250 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.229 7.086 5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.540 4.827 4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.930 5.057 6.360 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.294 4.116 5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.542 1.955 4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.921 3.326 3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.850 2.472 4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.010 2.216 6.616 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.348 2.750 6.963 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.727 3.776 7.424 1.00 0.00 H new ATOM 364 N GLU A 42 -9.730 6.872 3.428 1.00 0.00 N ATOM 365 CA GLU A 42 -10.313 7.027 2.106 1.00 0.00 C ATOM 366 C GLU A 42 -10.759 8.474 1.889 1.00 0.00 C ATOM 367 O GLU A 42 -11.710 8.731 1.152 1.00 0.00 O ATOM 368 CB GLU A 42 -11.480 6.058 1.904 1.00 0.00 C ATOM 369 CG GLU A 42 -11.434 5.428 0.511 1.00 0.00 C ATOM 370 CD GLU A 42 -12.800 5.512 -0.174 1.00 0.00 C ATOM 371 OE1 GLU A 42 -13.808 5.353 0.549 1.00 0.00 O ATOM 372 OE2 GLU A 42 -12.806 5.730 -1.405 1.00 0.00 O ATOM 0 H GLU A 42 -10.354 7.110 4.199 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.551 6.787 1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.443 5.276 2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.424 6.587 2.037 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.686 5.936 -0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.126 4.385 0.589 1.00 0.00 H new ATOM 377 N GLN A 43 -10.049 9.383 2.542 1.00 0.00 N ATOM 378 CA GLN A 43 -10.359 10.798 2.430 1.00 0.00 C ATOM 379 C GLN A 43 -10.757 11.141 0.992 1.00 0.00 C ATOM 380 O GLN A 43 -11.882 11.570 0.741 1.00 0.00 O ATOM 381 CB GLN A 43 -9.180 11.656 2.892 1.00 0.00 C ATOM 382 CG GLN A 43 -9.667 12.925 3.592 1.00 0.00 C ATOM 383 CD GLN A 43 -9.249 12.935 5.064 1.00 0.00 C ATOM 384 OE1 GLN A 43 -8.077 12.911 5.403 1.00 0.00 O ATOM 385 NE2 GLN A 43 -10.269 12.971 5.916 1.00 0.00 N ATOM 0 H GLN A 43 -9.260 9.166 3.151 1.00 0.00 H new ATOM 0 HA GLN A 43 -11.203 11.018 3.083 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -8.551 11.080 3.571 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -8.562 11.924 2.035 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -9.259 13.801 3.089 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -10.752 12.991 3.518 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.226 12.990 5.565 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -10.094 12.980 6.921 1.00 0.00 H new ATOM 392 N TYR A 44 -9.811 10.940 0.086 1.00 0.00 N ATOM 393 CA TYR A 44 -10.048 11.223 -1.319 1.00 0.00 C ATOM 394 C TYR A 44 -8.820 10.878 -2.163 1.00 0.00 C ATOM 395 O TYR A 44 -8.951 10.398 -3.289 1.00 0.00 O ATOM 396 CB TYR A 44 -10.308 12.728 -1.408 1.00 0.00 C ATOM 397 CG TYR A 44 -9.152 13.589 -0.896 1.00 0.00 C ATOM 398 CD1 TYR A 44 -9.054 13.882 0.450 1.00 0.00 C ATOM 399 CD2 TYR A 44 -8.207 14.073 -1.777 1.00 0.00 C ATOM 400 CE1 TYR A 44 -7.967 14.694 0.933 1.00 0.00 C ATOM 401 CE2 TYR A 44 -7.119 14.883 -1.294 1.00 0.00 C ATOM 402 CZ TYR A 44 -7.053 15.154 0.037 1.00 0.00 C ATOM 403 OH TYR A 44 -6.026 15.919 0.493 1.00 0.00 O ATOM 0 H TYR A 44 -8.879 10.584 0.298 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.883 10.632 -1.694 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.511 12.991 -2.446 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -11.206 12.966 -0.837 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -9.793 13.502 1.140 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.283 13.844 -2.830 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.880 14.932 1.983 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -6.372 15.267 -1.973 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.451 16.175 -0.258 1.00 0.00 H new ATOM 412 N CYS A 45 -7.655 11.134 -1.587 1.00 0.00 N ATOM 413 CA CYS A 45 -6.404 10.858 -2.273 1.00 0.00 C ATOM 414 C CYS A 45 -6.244 11.869 -3.409 1.00 0.00 C ATOM 415 O CYS A 45 -5.312 12.671 -3.404 1.00 0.00 O ATOM 416 CB CYS A 45 -6.345 9.415 -2.781 1.00 0.00 C ATOM 417 SG CYS A 45 -5.207 8.322 -1.853 1.00 0.00 S ATOM 0 H CYS A 45 -7.551 11.530 -0.653 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.573 10.964 -1.575 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.348 8.989 -2.742 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.043 9.425 -3.828 1.00 0.00 H new ATOM 421 N HIS A 46 -7.168 11.798 -4.356 1.00 0.00 N ATOM 422 CA HIS A 46 -7.142 12.698 -5.496 1.00 0.00 C ATOM 423 C HIS A 46 -8.291 12.356 -6.448 1.00 0.00 C ATOM 424 O HIS A 46 -9.292 13.068 -6.499 1.00 0.00 O ATOM 425 CB HIS A 46 -5.775 12.665 -6.183 1.00 0.00 C ATOM 426 CG HIS A 46 -5.804 13.091 -7.631 1.00 0.00 C ATOM 427 ND1 HIS A 46 -5.514 14.381 -8.039 1.00 0.00 N ATOM 428 CD2 HIS A 46 -6.091 12.384 -8.762 1.00 0.00 C ATOM 429 CE1 HIS A 46 -5.626 14.438 -9.359 1.00 0.00 C ATOM 430 NE2 HIS A 46 -5.984 13.199 -9.805 1.00 0.00 N ATOM 0 H HIS A 46 -7.940 11.131 -4.357 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.290 13.723 -5.157 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.090 13.314 -5.638 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.373 11.654 -6.121 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.360 11.339 -8.802 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.463 15.311 -9.973 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.143 12.941 -10.779 1.00 0.00 H new ATOM 437 N ARG A 47 -8.108 11.265 -7.176 1.00 0.00 N ATOM 438 CA ARG A 47 -9.117 10.820 -8.123 1.00 0.00 C ATOM 439 C ARG A 47 -10.437 10.542 -7.400 1.00 0.00 C ATOM 440 O ARG A 47 -11.360 11.354 -7.454 1.00 0.00 O ATOM 441 CB ARG A 47 -8.667 9.552 -8.852 1.00 0.00 C ATOM 442 CG ARG A 47 -9.647 9.184 -9.968 1.00 0.00 C ATOM 443 CD ARG A 47 -10.889 8.493 -9.403 1.00 0.00 C ATOM 444 NE ARG A 47 -11.459 7.573 -10.412 1.00 0.00 N ATOM 445 CZ ARG A 47 -12.053 7.976 -11.545 1.00 0.00 C ATOM 446 NH1 ARG A 47 -12.155 9.284 -11.819 1.00 0.00 N ATOM 447 NH2 ARG A 47 -12.542 7.071 -12.403 1.00 0.00 N ATOM 0 H ARG A 47 -7.277 10.676 -7.130 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.259 11.615 -8.855 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.672 9.703 -9.272 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.592 8.728 -8.143 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.942 10.083 -10.509 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.156 8.527 -10.686 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -10.629 7.940 -8.500 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.632 9.238 -9.117 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.396 6.570 -10.235 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -11.781 9.973 -11.166 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -12.607 9.591 -12.681 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.463 6.076 -12.195 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.994 7.377 -13.265 1.00 0.00 H new ATOM 458 N THR A 48 -10.484 9.394 -6.741 1.00 0.00 N ATOM 459 CA THR A 48 -11.675 9.001 -6.008 1.00 0.00 C ATOM 460 C THR A 48 -12.928 9.555 -6.690 1.00 0.00 C ATOM 461 O THR A 48 -13.370 10.661 -6.380 1.00 0.00 O ATOM 462 CB THR A 48 -11.516 9.467 -4.559 1.00 0.00 C ATOM 463 OG1 THR A 48 -12.637 8.901 -3.887 1.00 0.00 O ATOM 464 CG2 THR A 48 -11.711 10.976 -4.405 1.00 0.00 C ATOM 0 H THR A 48 -9.717 8.723 -6.699 1.00 0.00 H new ATOM 0 HA THR A 48 -11.796 7.918 -6.004 1.00 0.00 H new ATOM 0 HB THR A 48 -10.526 9.190 -4.195 1.00 0.00 H new ATOM 0 HG1 THR A 48 -12.612 9.152 -2.940 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.588 11.254 -3.358 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.972 11.502 -5.010 1.00 0.00 H new ATOM 0 HG23 THR A 48 -12.713 11.249 -4.737 1.00 0.00 H new ATOM 472 N THR A 49 -13.464 8.761 -7.605 1.00 0.00 N ATOM 473 CA THR A 49 -14.658 9.158 -8.333 1.00 0.00 C ATOM 474 C THR A 49 -15.908 8.890 -7.494 1.00 0.00 C ATOM 475 O THR A 49 -15.897 8.031 -6.614 1.00 0.00 O ATOM 476 CB THR A 49 -14.658 8.425 -9.676 1.00 0.00 C ATOM 477 OG1 THR A 49 -16.003 8.538 -10.133 1.00 0.00 O ATOM 478 CG2 THR A 49 -14.442 6.919 -9.520 1.00 0.00 C ATOM 0 H THR A 49 -13.094 7.845 -7.859 1.00 0.00 H new ATOM 0 HA THR A 49 -14.663 10.230 -8.531 1.00 0.00 H new ATOM 0 HB THR A 49 -13.879 8.839 -10.316 1.00 0.00 H new ATOM 0 HG1 THR A 49 -16.092 8.091 -11.000 1.00 0.00 H new ATOM 0 HG21 THR A 49 -14.451 6.447 -10.502 1.00 0.00 H new ATOM 0 HG22 THR A 49 -13.481 6.737 -9.038 1.00 0.00 H new ATOM 0 HG23 THR A 49 -15.240 6.498 -8.908 1.00 0.00 H new ATOM 486 N ILE A 50 -16.957 9.641 -7.798 1.00 0.00 N ATOM 487 CA ILE A 50 -18.214 9.495 -7.083 1.00 0.00 C ATOM 488 C ILE A 50 -17.927 9.295 -5.593 1.00 0.00 C ATOM 489 O ILE A 50 -18.251 8.249 -5.030 1.00 0.00 O ATOM 490 CB ILE A 50 -19.056 8.378 -7.702 1.00 0.00 C ATOM 491 CG1 ILE A 50 -19.443 8.718 -9.143 1.00 0.00 C ATOM 492 CG2 ILE A 50 -20.281 8.070 -6.838 1.00 0.00 C ATOM 493 CD1 ILE A 50 -20.059 7.507 -9.846 1.00 0.00 C ATOM 0 H ILE A 50 -16.962 10.352 -8.529 1.00 0.00 H new ATOM 0 HA ILE A 50 -18.812 10.402 -7.175 1.00 0.00 H new ATOM 0 HB ILE A 50 -18.450 7.473 -7.735 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -20.153 9.545 -9.147 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -18.562 9.052 -9.691 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -20.862 7.272 -7.301 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -19.957 7.754 -5.847 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -20.898 8.964 -6.750 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -20.325 7.776 -10.868 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -19.338 6.690 -9.862 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -20.954 7.191 -9.310 1.00 0.00 H new ATOM 504 N GLY A 51 -17.325 10.313 -4.997 1.00 0.00 N ATOM 505 CA GLY A 51 -16.992 10.261 -3.584 1.00 0.00 C ATOM 506 C GLY A 51 -18.211 9.869 -2.747 1.00 0.00 C ATOM 507 O GLY A 51 -19.270 9.562 -3.292 1.00 0.00 O ATOM 0 H GLY A 51 -17.059 11.179 -5.467 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.189 9.542 -3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.620 11.233 -3.258 1.00 0.00 H new ATOM 511 N ASN A 52 -18.020 9.888 -1.436 1.00 0.00 N ATOM 512 CA ASN A 52 -19.091 9.538 -0.518 1.00 0.00 C ATOM 513 C ASN A 52 -19.175 8.014 -0.398 1.00 0.00 C ATOM 514 O ASN A 52 -19.139 7.474 0.706 1.00 0.00 O ATOM 515 CB ASN A 52 -20.441 10.047 -1.026 1.00 0.00 C ATOM 516 CG ASN A 52 -21.277 10.622 0.119 1.00 0.00 C ATOM 517 OD1 ASN A 52 -21.358 11.823 0.320 1.00 0.00 O ATOM 518 ND2 ASN A 52 -21.891 9.701 0.855 1.00 0.00 N ATOM 0 H ASN A 52 -17.139 10.140 -0.987 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.873 9.997 0.446 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -20.282 10.813 -1.785 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -20.984 9.232 -1.504 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -22.473 9.983 1.644 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -21.780 8.712 0.631 1.00 0.00 H new ATOM 524 N PHE A 53 -19.284 7.367 -1.548 1.00 0.00 N ATOM 525 CA PHE A 53 -19.373 5.918 -1.586 1.00 0.00 C ATOM 526 C PHE A 53 -18.066 5.300 -2.087 1.00 0.00 C ATOM 527 O PHE A 53 -17.388 4.588 -1.349 1.00 0.00 O ATOM 528 CB PHE A 53 -20.498 5.564 -2.561 1.00 0.00 C ATOM 529 CG PHE A 53 -21.633 6.589 -2.599 1.00 0.00 C ATOM 530 CD1 PHE A 53 -21.541 7.675 -3.412 1.00 0.00 C ATOM 531 CD2 PHE A 53 -22.735 6.413 -1.821 1.00 0.00 C ATOM 532 CE1 PHE A 53 -22.596 8.626 -3.447 1.00 0.00 C ATOM 533 CE2 PHE A 53 -23.790 7.363 -1.857 1.00 0.00 C ATOM 534 CZ PHE A 53 -23.697 8.450 -2.669 1.00 0.00 C ATOM 0 H PHE A 53 -19.313 7.820 -2.461 1.00 0.00 H new ATOM 0 HA PHE A 53 -19.565 5.531 -0.585 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -20.079 5.464 -3.562 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -20.909 4.592 -2.288 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -20.667 7.815 -4.031 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -22.808 5.550 -1.176 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -22.523 9.489 -4.092 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -24.665 7.222 -1.240 1.00 0.00 H new ATOM 0 HZ PHE A 53 -24.498 9.174 -2.696 1.00 0.00 H new ATOM 543 N SER A 54 -17.752 5.596 -3.340 1.00 0.00 N ATOM 544 CA SER A 54 -16.539 5.079 -3.950 1.00 0.00 C ATOM 545 C SER A 54 -16.655 5.131 -5.474 1.00 0.00 C ATOM 546 O SER A 54 -15.766 5.644 -6.151 1.00 0.00 O ATOM 547 CB SER A 54 -16.257 3.649 -3.487 1.00 0.00 C ATOM 548 OG SER A 54 -15.223 3.598 -2.506 1.00 0.00 O ATOM 0 H SER A 54 -18.317 6.188 -3.949 1.00 0.00 H new ATOM 0 HA SER A 54 -15.704 5.705 -3.635 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.168 3.215 -3.076 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.973 3.040 -4.345 1.00 0.00 H new ATOM 0 HG SER A 54 -15.559 3.955 -1.658 1.00 0.00 H new ATOM 553 N GLY A 55 -17.759 4.593 -5.970 1.00 0.00 N ATOM 554 CA GLY A 55 -18.004 4.570 -7.401 1.00 0.00 C ATOM 555 C GLY A 55 -18.084 3.134 -7.922 1.00 0.00 C ATOM 556 O GLY A 55 -17.392 2.249 -7.424 1.00 0.00 O ATOM 0 H GLY A 55 -18.495 4.169 -5.405 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -18.934 5.093 -7.622 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.207 5.104 -7.918 1.00 0.00 H new ATOM 560 N PRO A 56 -18.961 2.941 -8.945 1.00 0.00 N ATOM 561 CA PRO A 56 -19.142 1.627 -9.538 1.00 0.00 C ATOM 562 C PRO A 56 -17.958 1.264 -10.438 1.00 0.00 C ATOM 563 O PRO A 56 -17.165 0.387 -10.102 1.00 0.00 O ATOM 564 CB PRO A 56 -20.457 1.714 -10.294 1.00 0.00 C ATOM 565 CG PRO A 56 -20.732 3.198 -10.483 1.00 0.00 C ATOM 566 CD PRO A 56 -19.799 3.966 -9.561 1.00 0.00 C ATOM 0 HA PRO A 56 -19.178 0.831 -8.794 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -20.390 1.204 -11.255 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -21.261 1.236 -9.735 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -20.567 3.488 -11.521 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -21.772 3.426 -10.250 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -19.199 4.687 -10.116 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -20.357 4.526 -8.810 1.00 0.00 H new ATOM 571 N TYR A 57 -17.877 1.959 -11.563 1.00 0.00 N ATOM 572 CA TYR A 57 -16.803 1.721 -12.513 1.00 0.00 C ATOM 573 C TYR A 57 -16.524 0.224 -12.661 1.00 0.00 C ATOM 574 O TYR A 57 -17.264 -0.604 -12.133 1.00 0.00 O ATOM 575 CB TYR A 57 -15.565 2.405 -11.930 1.00 0.00 C ATOM 576 CG TYR A 57 -15.162 1.888 -10.549 1.00 0.00 C ATOM 577 CD1 TYR A 57 -14.666 0.608 -10.409 1.00 0.00 C ATOM 578 CD2 TYR A 57 -15.293 2.703 -9.442 1.00 0.00 C ATOM 579 CE1 TYR A 57 -14.287 0.122 -9.107 1.00 0.00 C ATOM 580 CE2 TYR A 57 -14.914 2.216 -8.141 1.00 0.00 C ATOM 581 CZ TYR A 57 -14.429 0.950 -8.038 1.00 0.00 C ATOM 582 OH TYR A 57 -14.070 0.491 -6.809 1.00 0.00 O ATOM 0 H TYR A 57 -18.537 2.687 -11.838 1.00 0.00 H new ATOM 0 HA TYR A 57 -17.068 2.107 -13.497 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -14.729 2.268 -12.616 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -15.751 3.477 -11.865 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -14.562 -0.029 -11.275 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -15.680 3.705 -9.552 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -13.899 -0.878 -8.983 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -15.013 2.842 -7.267 1.00 0.00 H new ATOM 0 HH TYR A 57 -14.225 1.191 -6.140 1.00 0.00 H new ATOM 591 N THR A 58 -15.453 -0.077 -13.381 1.00 0.00 N ATOM 592 CA THR A 58 -15.066 -1.459 -13.605 1.00 0.00 C ATOM 593 C THR A 58 -13.546 -1.607 -13.522 1.00 0.00 C ATOM 594 O THR A 58 -12.999 -2.648 -13.882 1.00 0.00 O ATOM 595 CB THR A 58 -15.646 -1.901 -14.950 1.00 0.00 C ATOM 596 OG1 THR A 58 -17.056 -1.895 -14.738 1.00 0.00 O ATOM 597 CG2 THR A 58 -15.324 -3.360 -15.275 1.00 0.00 C ATOM 0 H THR A 58 -14.841 0.613 -13.817 1.00 0.00 H new ATOM 0 HA THR A 58 -15.468 -2.112 -12.831 1.00 0.00 H new ATOM 0 HB THR A 58 -15.259 -1.259 -15.741 1.00 0.00 H new ATOM 0 HG1 THR A 58 -17.512 -2.168 -15.561 1.00 0.00 H new ATOM 0 HG21 THR A 58 -15.759 -3.622 -16.240 1.00 0.00 H new ATOM 0 HG22 THR A 58 -14.243 -3.494 -15.316 1.00 0.00 H new ATOM 0 HG23 THR A 58 -15.741 -4.005 -14.502 1.00 0.00 H new ATOM 605 N TYR A 59 -12.905 -0.551 -13.044 1.00 0.00 N ATOM 606 CA TYR A 59 -11.458 -0.549 -12.909 1.00 0.00 C ATOM 607 C TYR A 59 -11.045 -0.399 -11.443 1.00 0.00 C ATOM 608 O TYR A 59 -11.879 -0.108 -10.586 1.00 0.00 O ATOM 609 CB TYR A 59 -10.962 0.666 -13.694 1.00 0.00 C ATOM 610 CG TYR A 59 -11.835 1.912 -13.530 1.00 0.00 C ATOM 611 CD1 TYR A 59 -11.799 2.631 -12.353 1.00 0.00 C ATOM 612 CD2 TYR A 59 -12.661 2.316 -14.560 1.00 0.00 C ATOM 613 CE1 TYR A 59 -12.621 3.803 -12.200 1.00 0.00 C ATOM 614 CE2 TYR A 59 -13.483 3.488 -14.407 1.00 0.00 C ATOM 615 CZ TYR A 59 -13.422 4.174 -13.234 1.00 0.00 C ATOM 616 OH TYR A 59 -14.199 5.281 -13.089 1.00 0.00 O ATOM 0 H TYR A 59 -13.362 0.311 -12.745 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.037 -1.484 -13.278 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.947 0.902 -13.375 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.912 0.407 -14.752 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -11.154 2.315 -11.546 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -12.690 1.753 -15.481 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.602 4.375 -11.284 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -14.133 3.815 -15.205 1.00 0.00 H new ATOM 0 HH TYR A 59 -14.718 5.426 -13.908 1.00 0.00 H new ATOM 625 N CYS A 60 -9.759 -0.604 -11.200 1.00 0.00 N ATOM 626 CA CYS A 60 -9.225 -0.494 -9.853 1.00 0.00 C ATOM 627 C CYS A 60 -9.511 0.918 -9.337 1.00 0.00 C ATOM 628 O CYS A 60 -9.287 1.899 -10.044 1.00 0.00 O ATOM 629 CB CYS A 60 -7.732 -0.826 -9.808 1.00 0.00 C ATOM 630 SG CYS A 60 -7.238 -2.277 -10.807 1.00 0.00 S ATOM 0 H CYS A 60 -9.071 -0.846 -11.913 1.00 0.00 H new ATOM 0 HA CYS A 60 -9.712 -1.223 -9.205 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.171 0.043 -10.152 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.444 -1.001 -8.771 1.00 0.00 H new ATOM 634 N ASN A 61 -10.001 0.974 -8.107 1.00 0.00 N ATOM 635 CA ASN A 61 -10.320 2.249 -7.487 1.00 0.00 C ATOM 636 C ASN A 61 -9.064 2.819 -6.825 1.00 0.00 C ATOM 637 O ASN A 61 -7.971 2.280 -6.994 1.00 0.00 O ATOM 638 CB ASN A 61 -11.391 2.084 -6.407 1.00 0.00 C ATOM 639 CG ASN A 61 -12.270 3.332 -6.311 1.00 0.00 C ATOM 640 OD1 ASN A 61 -12.890 3.762 -7.270 1.00 0.00 O ATOM 641 ND2 ASN A 61 -12.291 3.888 -5.102 1.00 0.00 N ATOM 0 H ASN A 61 -10.185 0.158 -7.524 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.691 2.917 -8.264 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.010 1.216 -6.633 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.916 1.895 -5.445 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.850 4.725 -4.935 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.749 3.477 -4.342 1.00 0.00 H new ATOM 647 N THR A 62 -9.262 3.899 -6.085 1.00 0.00 N ATOM 648 CA THR A 62 -8.159 4.547 -5.396 1.00 0.00 C ATOM 649 C THR A 62 -8.148 4.155 -3.917 1.00 0.00 C ATOM 650 O THR A 62 -9.192 4.154 -3.265 1.00 0.00 O ATOM 651 CB THR A 62 -8.278 6.055 -5.624 1.00 0.00 C ATOM 652 OG1 THR A 62 -7.049 6.580 -5.129 1.00 0.00 O ATOM 653 CG2 THR A 62 -9.344 6.699 -4.734 1.00 0.00 C ATOM 0 H THR A 62 -10.170 4.342 -5.947 1.00 0.00 H new ATOM 0 HA THR A 62 -7.199 4.219 -5.793 1.00 0.00 H new ATOM 0 HB THR A 62 -8.515 6.246 -6.671 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.344 5.906 -5.223 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.388 7.769 -4.935 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.314 6.250 -4.946 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.090 6.537 -3.687 1.00 0.00 H new ATOM 661 N THR A 63 -6.959 3.832 -3.432 1.00 0.00 N ATOM 662 CA THR A 63 -6.801 3.439 -2.042 1.00 0.00 C ATOM 663 C THR A 63 -5.320 3.247 -1.708 1.00 0.00 C ATOM 664 O THR A 63 -4.522 2.910 -2.581 1.00 0.00 O ATOM 665 CB THR A 63 -7.644 2.185 -1.805 1.00 0.00 C ATOM 666 OG1 THR A 63 -7.579 1.983 -0.396 1.00 0.00 O ATOM 667 CG2 THR A 63 -7.000 0.927 -2.392 1.00 0.00 C ATOM 0 H THR A 63 -6.096 3.834 -3.976 1.00 0.00 H new ATOM 0 HA THR A 63 -7.157 4.219 -1.368 1.00 0.00 H new ATOM 0 HB THR A 63 -8.633 2.325 -2.242 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.101 1.190 -0.155 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.639 0.066 -2.196 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.876 1.050 -3.468 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.025 0.768 -1.931 1.00 0.00 H new ATOM 675 N LEU A 64 -4.997 3.471 -0.442 1.00 0.00 N ATOM 676 CA LEU A 64 -3.626 3.326 0.018 1.00 0.00 C ATOM 677 C LEU A 64 -3.573 2.267 1.121 1.00 0.00 C ATOM 678 O LEU A 64 -4.177 2.436 2.179 1.00 0.00 O ATOM 679 CB LEU A 64 -3.057 4.682 0.439 1.00 0.00 C ATOM 680 CG LEU A 64 -3.995 5.583 1.245 1.00 0.00 C ATOM 681 CD1 LEU A 64 -4.117 5.094 2.690 1.00 0.00 C ATOM 682 CD2 LEU A 64 -3.552 7.045 1.169 1.00 0.00 C ATOM 0 H LEU A 64 -5.661 3.752 0.279 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.986 2.975 -0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.157 4.509 1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.751 5.220 -0.459 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.989 5.526 0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.789 5.752 3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.515 4.079 2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.134 5.102 3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.236 7.663 1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.544 7.141 1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.560 7.374 0.130 1.00 0.00 H new ATOM 693 N ASP A 65 -2.843 1.199 0.836 1.00 0.00 N ATOM 694 CA ASP A 65 -2.701 0.112 1.791 1.00 0.00 C ATOM 695 C ASP A 65 -1.577 0.446 2.774 1.00 0.00 C ATOM 696 O ASP A 65 -1.304 1.616 3.036 1.00 0.00 O ATOM 697 CB ASP A 65 -2.340 -1.196 1.086 1.00 0.00 C ATOM 698 CG ASP A 65 -2.996 -2.449 1.671 1.00 0.00 C ATOM 699 OD1 ASP A 65 -3.684 -2.298 2.704 1.00 0.00 O ATOM 700 OD2 ASP A 65 -2.795 -3.527 1.073 1.00 0.00 O ATOM 0 H ASP A 65 -2.343 1.063 -0.043 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.652 -0.008 2.309 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.620 -1.114 0.036 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.258 -1.322 1.118 1.00 0.00 H new ATOM 704 N GLN A 66 -0.956 -0.604 3.291 1.00 0.00 N ATOM 705 CA GLN A 66 0.132 -0.437 4.240 1.00 0.00 C ATOM 706 C GLN A 66 1.241 0.423 3.629 1.00 0.00 C ATOM 707 O GLN A 66 2.098 0.937 4.346 1.00 0.00 O ATOM 708 CB GLN A 66 0.677 -1.793 4.693 1.00 0.00 C ATOM 709 CG GLN A 66 0.994 -1.783 6.190 1.00 0.00 C ATOM 710 CD GLN A 66 -0.258 -2.078 7.018 1.00 0.00 C ATOM 711 OE1 GLN A 66 -1.333 -2.331 6.497 1.00 0.00 O ATOM 712 NE2 GLN A 66 -0.061 -2.032 8.332 1.00 0.00 N ATOM 0 H GLN A 66 -1.185 -1.573 3.071 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.255 0.075 5.121 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.053 -2.573 4.477 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.578 -2.034 4.128 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.762 -2.526 6.408 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.401 -0.812 6.473 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.864 -1.814 8.702 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.835 -2.215 8.970 1.00 0.00 H new ATOM 719 N ILE A 67 1.188 0.552 2.312 1.00 0.00 N ATOM 720 CA ILE A 67 2.177 1.342 1.597 1.00 0.00 C ATOM 721 C ILE A 67 1.599 2.727 1.298 1.00 0.00 C ATOM 722 O ILE A 67 0.757 2.874 0.414 1.00 0.00 O ATOM 723 CB ILE A 67 2.659 0.595 0.351 1.00 0.00 C ATOM 724 CG1 ILE A 67 3.862 -0.294 0.677 1.00 0.00 C ATOM 725 CG2 ILE A 67 2.959 1.569 -0.790 1.00 0.00 C ATOM 726 CD1 ILE A 67 5.090 0.551 1.022 1.00 0.00 C ATOM 0 H ILE A 67 0.476 0.123 1.721 1.00 0.00 H new ATOM 0 HA ILE A 67 3.063 1.493 2.214 1.00 0.00 H new ATOM 0 HB ILE A 67 1.856 -0.060 0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.619 -0.948 1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.086 -0.936 -0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.300 1.013 -1.663 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.055 2.123 -1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.737 2.266 -0.478 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.931 -0.105 1.250 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.345 1.186 0.174 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.871 1.174 1.889 1.00 0.00 H new ATOM 737 N GLY A 68 2.076 3.707 2.053 1.00 0.00 N ATOM 738 CA GLY A 68 1.616 5.075 1.880 1.00 0.00 C ATOM 739 C GLY A 68 1.285 5.360 0.414 1.00 0.00 C ATOM 740 O GLY A 68 0.212 5.877 0.106 1.00 0.00 O ATOM 0 H GLY A 68 2.775 3.581 2.785 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.733 5.246 2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.384 5.767 2.224 1.00 0.00 H new ATOM 744 N THR A 69 2.226 5.013 -0.452 1.00 0.00 N ATOM 745 CA THR A 69 2.047 5.225 -1.878 1.00 0.00 C ATOM 746 C THR A 69 0.588 4.995 -2.272 1.00 0.00 C ATOM 747 O THR A 69 0.162 3.856 -2.457 1.00 0.00 O ATOM 748 CB THR A 69 3.027 4.313 -2.618 1.00 0.00 C ATOM 749 OG1 THR A 69 3.949 5.215 -3.227 1.00 0.00 O ATOM 750 CG2 THR A 69 2.377 3.591 -3.800 1.00 0.00 C ATOM 0 H THR A 69 3.115 4.586 -0.193 1.00 0.00 H new ATOM 0 HA THR A 69 2.267 6.256 -2.155 1.00 0.00 H new ATOM 0 HB THR A 69 3.434 3.578 -1.923 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.622 4.707 -3.727 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.116 2.957 -4.290 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.552 2.976 -3.441 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.999 4.325 -4.512 1.00 0.00 H new ATOM 758 N CYS A 70 -0.142 6.095 -2.389 1.00 0.00 N ATOM 759 CA CYS A 70 -1.545 6.028 -2.759 1.00 0.00 C ATOM 760 C CYS A 70 -1.636 5.910 -4.282 1.00 0.00 C ATOM 761 O CYS A 70 -0.837 6.505 -5.003 1.00 0.00 O ATOM 762 CB CYS A 70 -2.327 7.234 -2.233 1.00 0.00 C ATOM 763 SG CYS A 70 -3.869 7.606 -3.144 1.00 0.00 S ATOM 0 H CYS A 70 0.213 7.039 -2.234 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.003 5.152 -2.300 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.573 7.060 -1.186 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.681 8.111 -2.267 1.00 0.00 H new ATOM 767 N TRP A 71 -2.616 5.137 -4.725 1.00 0.00 N ATOM 768 CA TRP A 71 -2.822 4.933 -6.149 1.00 0.00 C ATOM 769 C TRP A 71 -4.184 5.523 -6.519 1.00 0.00 C ATOM 770 O TRP A 71 -5.222 4.985 -6.138 1.00 0.00 O ATOM 771 CB TRP A 71 -2.693 3.453 -6.515 1.00 0.00 C ATOM 772 CG TRP A 71 -1.661 2.693 -5.680 1.00 0.00 C ATOM 773 CD1 TRP A 71 -1.706 2.409 -4.371 1.00 0.00 C ATOM 774 CD2 TRP A 71 -0.419 2.129 -6.152 1.00 0.00 C ATOM 775 NE1 TRP A 71 -0.590 1.706 -3.966 1.00 0.00 N ATOM 776 CE2 TRP A 71 0.218 1.530 -5.084 1.00 0.00 C ATOM 777 CE3 TRP A 71 0.147 2.124 -7.439 1.00 0.00 C ATOM 778 CZ2 TRP A 71 1.454 0.882 -5.195 1.00 0.00 C ATOM 779 CZ3 TRP A 71 1.383 1.473 -7.532 1.00 0.00 C ATOM 780 CH2 TRP A 71 2.037 0.864 -6.467 1.00 0.00 C ATOM 0 H TRP A 71 -3.276 4.644 -4.123 1.00 0.00 H new ATOM 0 HA TRP A 71 -2.052 5.444 -6.727 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -3.665 2.974 -6.396 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -2.424 3.372 -7.568 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.515 2.695 -3.715 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.394 1.376 -3.021 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.334 2.586 -8.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 1.932 0.420 -4.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 1.862 1.442 -8.499 1.00 0.00 H new ATOM 0 HH2 TRP A 71 2.990 0.380 -6.621 1.00 0.00 H new ATOM 790 N PRO A 72 -4.135 6.651 -7.277 1.00 0.00 N ATOM 791 CA PRO A 72 -5.352 7.321 -7.703 1.00 0.00 C ATOM 792 C PRO A 72 -6.035 6.549 -8.834 1.00 0.00 C ATOM 793 O PRO A 72 -5.867 6.881 -10.007 1.00 0.00 O ATOM 794 CB PRO A 72 -4.911 8.714 -8.117 1.00 0.00 C ATOM 795 CG PRO A 72 -3.410 8.625 -8.350 1.00 0.00 C ATOM 796 CD PRO A 72 -2.924 7.317 -7.747 1.00 0.00 C ATOM 0 HA PRO A 72 -6.101 7.374 -6.913 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.428 9.035 -9.021 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.143 9.444 -7.341 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.186 8.661 -9.416 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.901 9.471 -7.889 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.401 6.711 -8.486 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.226 7.494 -6.928 1.00 0.00 H new ATOM 801 N GLN A 73 -6.791 5.534 -8.443 1.00 0.00 N ATOM 802 CA GLN A 73 -7.500 4.713 -9.409 1.00 0.00 C ATOM 803 C GLN A 73 -6.513 4.067 -10.383 1.00 0.00 C ATOM 804 O GLN A 73 -5.472 4.644 -10.690 1.00 0.00 O ATOM 805 CB GLN A 73 -8.553 5.532 -10.157 1.00 0.00 C ATOM 806 CG GLN A 73 -9.063 4.777 -11.387 1.00 0.00 C ATOM 807 CD GLN A 73 -8.266 5.161 -12.635 1.00 0.00 C ATOM 808 OE1 GLN A 73 -8.060 6.324 -12.939 1.00 0.00 O ATOM 809 NE2 GLN A 73 -7.830 4.119 -13.340 1.00 0.00 N ATOM 0 H GLN A 73 -6.928 5.261 -7.470 1.00 0.00 H new ATOM 0 HA GLN A 73 -8.020 3.920 -8.871 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.387 5.754 -9.491 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.126 6.487 -10.463 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -8.985 3.703 -11.217 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.119 4.999 -11.543 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.038 3.170 -13.029 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.288 4.270 -14.191 1.00 0.00 H new ATOM 816 N SER A 74 -6.875 2.879 -10.842 1.00 0.00 N ATOM 817 CA SER A 74 -6.034 2.148 -11.775 1.00 0.00 C ATOM 818 C SER A 74 -6.887 1.189 -12.609 1.00 0.00 C ATOM 819 O SER A 74 -8.056 0.965 -12.300 1.00 0.00 O ATOM 820 CB SER A 74 -4.936 1.377 -11.040 1.00 0.00 C ATOM 821 OG SER A 74 -4.503 2.057 -9.864 1.00 0.00 O ATOM 0 H SER A 74 -7.740 2.403 -10.585 1.00 0.00 H new ATOM 0 HA SER A 74 -5.554 2.868 -12.438 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.305 0.387 -10.771 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.087 1.230 -11.708 1.00 0.00 H new ATOM 0 HG SER A 74 -3.691 1.630 -9.519 1.00 0.00 H new ATOM 826 N ALA A 75 -6.269 0.651 -13.649 1.00 0.00 N ATOM 827 CA ALA A 75 -6.957 -0.278 -14.530 1.00 0.00 C ATOM 828 C ALA A 75 -6.859 -1.690 -13.951 1.00 0.00 C ATOM 829 O ALA A 75 -5.899 -2.015 -13.256 1.00 0.00 O ATOM 830 CB ALA A 75 -6.363 -0.182 -15.936 1.00 0.00 C ATOM 0 H ALA A 75 -5.299 0.840 -13.902 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.015 -0.025 -14.605 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.879 -0.879 -16.597 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.484 0.833 -16.313 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.303 -0.432 -15.901 1.00 0.00 H new ATOM 836 N PRO A 76 -7.894 -2.514 -14.267 1.00 0.00 N ATOM 837 CA PRO A 76 -7.935 -3.885 -13.786 1.00 0.00 C ATOM 838 C PRO A 76 -6.952 -4.766 -14.558 1.00 0.00 C ATOM 839 O PRO A 76 -6.563 -4.435 -15.678 1.00 0.00 O ATOM 840 CB PRO A 76 -9.382 -4.318 -13.955 1.00 0.00 C ATOM 841 CG PRO A 76 -9.996 -3.345 -14.948 1.00 0.00 C ATOM 842 CD PRO A 76 -9.050 -2.163 -15.088 1.00 0.00 C ATOM 0 HA PRO A 76 -7.626 -3.975 -12.745 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.443 -5.342 -14.324 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.912 -4.290 -13.003 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.148 -3.829 -15.913 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -10.974 -3.012 -14.601 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -8.764 -2.006 -16.128 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.516 -1.240 -14.742 1.00 0.00 H new ATOM 847 N GLY A 77 -6.579 -5.871 -13.931 1.00 0.00 N ATOM 848 CA GLY A 77 -5.649 -6.803 -14.545 1.00 0.00 C ATOM 849 C GLY A 77 -4.595 -6.062 -15.371 1.00 0.00 C ATOM 850 O GLY A 77 -4.297 -6.452 -16.499 1.00 0.00 O ATOM 0 H GLY A 77 -6.904 -6.142 -13.003 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.160 -7.396 -13.772 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.194 -7.498 -15.184 1.00 0.00 H new ATOM 854 N ALA A 78 -4.060 -5.006 -14.777 1.00 0.00 N ATOM 855 CA ALA A 78 -3.046 -4.206 -15.444 1.00 0.00 C ATOM 856 C ALA A 78 -1.722 -4.336 -14.687 1.00 0.00 C ATOM 857 O ALA A 78 -0.734 -3.697 -15.045 1.00 0.00 O ATOM 858 CB ALA A 78 -3.523 -2.755 -15.542 1.00 0.00 C ATOM 0 H ALA A 78 -4.309 -4.685 -13.841 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.881 -4.563 -16.460 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.763 -2.155 -16.042 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.451 -2.715 -16.113 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.696 -2.360 -14.541 1.00 0.00 H new ATOM 864 N LEU A 79 -1.746 -5.165 -13.655 1.00 0.00 N ATOM 865 CA LEU A 79 -0.560 -5.386 -12.844 1.00 0.00 C ATOM 866 C LEU A 79 0.168 -4.057 -12.642 1.00 0.00 C ATOM 867 O LEU A 79 1.035 -3.691 -13.435 1.00 0.00 O ATOM 868 CB LEU A 79 0.315 -6.479 -13.462 1.00 0.00 C ATOM 869 CG LEU A 79 0.119 -7.890 -12.903 1.00 0.00 C ATOM 870 CD1 LEU A 79 0.723 -8.013 -11.503 1.00 0.00 C ATOM 871 CD2 LEU A 79 -1.358 -8.290 -12.928 1.00 0.00 C ATOM 0 H LEU A 79 -2.568 -5.692 -13.361 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.837 -5.752 -11.855 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.126 -6.505 -14.535 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.360 -6.199 -13.329 1.00 0.00 H new ATOM 0 HG LEU A 79 0.652 -8.590 -13.546 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.570 -9.025 -11.128 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.791 -7.800 -11.548 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.239 -7.302 -10.834 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.469 -9.297 -12.525 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.935 -7.591 -12.322 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.724 -8.267 -13.955 1.00 0.00 H new ATOM 882 N VAL A 80 -0.208 -3.368 -11.574 1.00 0.00 N ATOM 883 CA VAL A 80 0.398 -2.087 -11.257 1.00 0.00 C ATOM 884 C VAL A 80 1.687 -2.319 -10.466 1.00 0.00 C ATOM 885 O VAL A 80 1.807 -1.881 -9.324 1.00 0.00 O ATOM 886 CB VAL A 80 -0.605 -1.201 -10.516 1.00 0.00 C ATOM 887 CG1 VAL A 80 0.052 0.098 -10.045 1.00 0.00 C ATOM 888 CG2 VAL A 80 -1.829 -0.911 -11.387 1.00 0.00 C ATOM 0 H VAL A 80 -0.926 -3.674 -10.917 1.00 0.00 H new ATOM 0 HA VAL A 80 0.667 -1.557 -12.171 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.942 -1.745 -9.633 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.684 0.709 -9.521 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.876 -0.135 -9.371 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.432 0.647 -10.907 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.526 -0.279 -10.836 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.515 -0.398 -12.296 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.319 -1.849 -11.650 1.00 0.00 H new ATOM 898 N GLU A 81 2.620 -3.009 -11.107 1.00 0.00 N ATOM 899 CA GLU A 81 3.896 -3.305 -10.478 1.00 0.00 C ATOM 900 C GLU A 81 4.805 -2.075 -10.517 1.00 0.00 C ATOM 901 O GLU A 81 4.519 -1.109 -11.223 1.00 0.00 O ATOM 902 CB GLU A 81 4.570 -4.506 -11.145 1.00 0.00 C ATOM 903 CG GLU A 81 4.989 -4.174 -12.578 1.00 0.00 C ATOM 904 CD GLU A 81 5.520 -5.417 -13.295 1.00 0.00 C ATOM 905 OE1 GLU A 81 4.716 -6.358 -13.471 1.00 0.00 O ATOM 906 OE2 GLU A 81 6.717 -5.398 -13.654 1.00 0.00 O ATOM 0 H GLU A 81 2.517 -3.371 -12.055 1.00 0.00 H new ATOM 0 HA GLU A 81 3.714 -3.565 -9.435 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.444 -4.804 -10.567 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.886 -5.355 -11.150 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.138 -3.770 -13.125 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.757 -3.400 -12.566 1.00 0.00 H new ATOM 911 N ARG A 82 5.883 -2.151 -9.750 1.00 0.00 N ATOM 912 CA ARG A 82 6.836 -1.056 -9.688 1.00 0.00 C ATOM 913 C ARG A 82 8.151 -1.531 -9.067 1.00 0.00 C ATOM 914 O ARG A 82 8.551 -1.051 -8.008 1.00 0.00 O ATOM 915 CB ARG A 82 6.284 0.109 -8.864 1.00 0.00 C ATOM 916 CG ARG A 82 6.580 1.449 -9.542 1.00 0.00 C ATOM 917 CD ARG A 82 5.760 1.607 -10.824 1.00 0.00 C ATOM 918 NE ARG A 82 4.370 1.992 -10.492 1.00 0.00 N ATOM 919 CZ ARG A 82 3.967 3.255 -10.295 1.00 0.00 C ATOM 920 NH1 ARG A 82 4.846 4.263 -10.396 1.00 0.00 N ATOM 921 NH2 ARG A 82 2.686 3.511 -9.998 1.00 0.00 N ATOM 0 H ARG A 82 6.117 -2.954 -9.166 1.00 0.00 H new ATOM 0 HA ARG A 82 7.014 -0.714 -10.708 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.208 -0.008 -8.737 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.726 0.096 -7.868 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.352 2.266 -8.857 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.643 1.516 -9.775 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.213 2.364 -11.464 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.763 0.672 -11.385 1.00 0.00 H new ATOM 0 HE ARG A 82 3.675 1.250 -10.408 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.821 4.068 -10.623 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.539 5.224 -10.246 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.017 2.745 -9.922 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.380 4.472 -9.848 1.00 0.00 H new ATOM 932 N PRO A 83 8.804 -2.495 -9.773 1.00 0.00 N ATOM 933 CA PRO A 83 10.066 -3.040 -9.302 1.00 0.00 C ATOM 934 C PRO A 83 11.210 -2.050 -9.528 1.00 0.00 C ATOM 935 O PRO A 83 11.754 -1.965 -10.629 1.00 0.00 O ATOM 936 CB PRO A 83 10.244 -4.339 -10.071 1.00 0.00 C ATOM 937 CG PRO A 83 9.317 -4.242 -11.272 1.00 0.00 C ATOM 938 CD PRO A 83 8.360 -3.086 -11.031 1.00 0.00 C ATOM 0 HA PRO A 83 10.070 -3.224 -8.228 1.00 0.00 H new ATOM 0 HB2 PRO A 83 11.279 -4.468 -10.386 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.991 -5.198 -9.450 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.890 -4.079 -12.184 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.765 -5.173 -11.404 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.400 -2.362 -11.845 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.329 -3.433 -10.964 1.00 0.00 H new ATOM 943 N CYS A 84 11.542 -1.326 -8.470 1.00 0.00 N ATOM 944 CA CYS A 84 12.611 -0.344 -8.539 1.00 0.00 C ATOM 945 C CYS A 84 12.256 0.677 -9.621 1.00 0.00 C ATOM 946 O CYS A 84 11.442 0.398 -10.500 1.00 0.00 O ATOM 947 CB CYS A 84 13.967 -1.003 -8.798 1.00 0.00 C ATOM 948 SG CYS A 84 14.708 -1.834 -7.345 1.00 0.00 S ATOM 0 H CYS A 84 11.089 -1.400 -7.559 1.00 0.00 H new ATOM 0 HA CYS A 84 12.705 0.164 -7.579 1.00 0.00 H new ATOM 0 HB2 CYS A 84 13.853 -1.735 -9.598 1.00 0.00 H new ATOM 0 HB3 CYS A 84 14.661 -0.244 -9.158 1.00 0.00 H new ATOM 952 N PRO A 85 12.902 1.870 -9.520 1.00 0.00 N ATOM 953 CA PRO A 85 12.663 2.934 -10.479 1.00 0.00 C ATOM 954 C PRO A 85 13.353 2.636 -11.812 1.00 0.00 C ATOM 955 O PRO A 85 12.733 2.732 -12.870 1.00 0.00 O ATOM 956 CB PRO A 85 13.187 4.193 -9.808 1.00 0.00 C ATOM 957 CG PRO A 85 14.116 3.721 -8.702 1.00 0.00 C ATOM 958 CD PRO A 85 13.872 2.236 -8.491 1.00 0.00 C ATOM 0 HA PRO A 85 11.608 3.043 -10.732 1.00 0.00 H new ATOM 0 HB2 PRO A 85 13.718 4.823 -10.521 1.00 0.00 H new ATOM 0 HB3 PRO A 85 12.369 4.789 -9.403 1.00 0.00 H new ATOM 0 HG2 PRO A 85 15.156 3.902 -8.974 1.00 0.00 H new ATOM 0 HG3 PRO A 85 13.926 4.274 -7.782 1.00 0.00 H new ATOM 0 HD2 PRO A 85 14.794 1.664 -8.595 1.00 0.00 H new ATOM 0 HD3 PRO A 85 13.484 2.036 -7.492 1.00 0.00 H new ATOM 963 N GLU A 86 14.625 2.279 -11.717 1.00 0.00 N ATOM 964 CA GLU A 86 15.404 1.966 -12.902 1.00 0.00 C ATOM 965 C GLU A 86 16.450 0.895 -12.582 1.00 0.00 C ATOM 966 O GLU A 86 16.845 0.733 -11.428 1.00 0.00 O ATOM 967 CB GLU A 86 16.065 3.223 -13.472 1.00 0.00 C ATOM 968 CG GLU A 86 16.696 2.940 -14.836 1.00 0.00 C ATOM 969 CD GLU A 86 17.339 4.202 -15.416 1.00 0.00 C ATOM 970 OE1 GLU A 86 16.767 5.289 -15.182 1.00 0.00 O ATOM 971 OE2 GLU A 86 18.387 4.052 -16.080 1.00 0.00 O ATOM 0 H GLU A 86 15.135 2.200 -10.838 1.00 0.00 H new ATOM 0 HA GLU A 86 14.729 1.573 -13.663 1.00 0.00 H new ATOM 0 HB2 GLU A 86 15.324 4.016 -13.568 1.00 0.00 H new ATOM 0 HB3 GLU A 86 16.828 3.582 -12.782 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.448 2.157 -14.737 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.936 2.567 -15.522 1.00 0.00 H new ATOM 976 N TYR A 87 16.867 0.191 -13.623 1.00 0.00 N ATOM 977 CA TYR A 87 17.857 -0.861 -13.468 1.00 0.00 C ATOM 978 C TYR A 87 19.275 -0.302 -13.600 1.00 0.00 C ATOM 979 O TYR A 87 20.177 -0.991 -14.074 1.00 0.00 O ATOM 980 CB TYR A 87 17.605 -1.851 -14.607 1.00 0.00 C ATOM 981 CG TYR A 87 18.302 -1.482 -15.918 1.00 0.00 C ATOM 982 CD1 TYR A 87 17.753 -0.525 -16.746 1.00 0.00 C ATOM 983 CD2 TYR A 87 19.482 -2.106 -16.272 1.00 0.00 C ATOM 984 CE1 TYR A 87 18.409 -0.178 -17.981 1.00 0.00 C ATOM 985 CE2 TYR A 87 20.138 -1.759 -17.505 1.00 0.00 C ATOM 986 CZ TYR A 87 19.569 -0.812 -18.299 1.00 0.00 C ATOM 987 OH TYR A 87 20.189 -0.485 -19.464 1.00 0.00 O ATOM 0 H TYR A 87 16.537 0.328 -14.578 1.00 0.00 H new ATOM 0 HA TYR A 87 17.772 -1.325 -12.485 1.00 0.00 H new ATOM 0 HB2 TYR A 87 17.940 -2.840 -14.295 1.00 0.00 H new ATOM 0 HB3 TYR A 87 16.532 -1.919 -14.785 1.00 0.00 H new ATOM 0 HD1 TYR A 87 16.831 -0.036 -16.468 1.00 0.00 H new ATOM 0 HD2 TYR A 87 19.913 -2.855 -15.623 1.00 0.00 H new ATOM 0 HE1 TYR A 87 17.989 0.568 -18.639 1.00 0.00 H new ATOM 0 HE2 TYR A 87 21.061 -2.240 -17.794 1.00 0.00 H new ATOM 0 HH TYR A 87 21.007 -1.016 -19.560 1.00 0.00 H new ATOM 996 N PHE A 88 19.429 0.943 -13.171 1.00 0.00 N ATOM 997 CA PHE A 88 20.722 1.602 -13.234 1.00 0.00 C ATOM 998 C PHE A 88 21.839 0.665 -12.772 1.00 0.00 C ATOM 999 O PHE A 88 22.846 0.507 -13.459 1.00 0.00 O ATOM 1000 CB PHE A 88 20.657 2.805 -12.290 1.00 0.00 C ATOM 1001 CG PHE A 88 20.217 2.456 -10.867 1.00 0.00 C ATOM 1002 CD1 PHE A 88 18.895 2.431 -10.551 1.00 0.00 C ATOM 1003 CD2 PHE A 88 21.149 2.171 -9.918 1.00 0.00 C ATOM 1004 CE1 PHE A 88 18.487 2.108 -9.230 1.00 0.00 C ATOM 1005 CE2 PHE A 88 20.740 1.848 -8.597 1.00 0.00 C ATOM 1006 CZ PHE A 88 19.417 1.822 -8.281 1.00 0.00 C ATOM 0 H PHE A 88 18.679 1.512 -12.778 1.00 0.00 H new ATOM 0 HA PHE A 88 20.938 1.901 -14.260 1.00 0.00 H new ATOM 0 HB2 PHE A 88 21.639 3.276 -12.250 1.00 0.00 H new ATOM 0 HB3 PHE A 88 19.967 3.541 -12.703 1.00 0.00 H new ATOM 0 HD1 PHE A 88 18.155 2.657 -11.305 1.00 0.00 H new ATOM 0 HD2 PHE A 88 22.199 2.190 -10.169 1.00 0.00 H new ATOM 0 HE1 PHE A 88 17.437 2.090 -8.979 1.00 0.00 H new ATOM 0 HE2 PHE A 88 21.480 1.623 -7.843 1.00 0.00 H new ATOM 0 HZ PHE A 88 19.106 1.574 -7.277 1.00 0.00 H new ATOM 1015 N ASN A 89 21.623 0.068 -11.609 1.00 0.00 N ATOM 1016 CA ASN A 89 22.599 -0.850 -11.046 1.00 0.00 C ATOM 1017 C ASN A 89 23.972 -0.176 -11.024 1.00 0.00 C ATOM 1018 O ASN A 89 24.817 -0.452 -11.874 1.00 0.00 O ATOM 1019 CB ASN A 89 22.711 -2.121 -11.890 1.00 0.00 C ATOM 1020 CG ASN A 89 21.897 -3.261 -11.273 1.00 0.00 C ATOM 1021 OD1 ASN A 89 22.431 -4.211 -10.723 1.00 0.00 O ATOM 1022 ND2 ASN A 89 20.581 -3.115 -11.395 1.00 0.00 N ATOM 0 H ASN A 89 20.786 0.202 -11.041 1.00 0.00 H new ATOM 0 HA ASN A 89 22.273 -1.113 -10.040 1.00 0.00 H new ATOM 0 HB2 ASN A 89 22.357 -1.923 -12.902 1.00 0.00 H new ATOM 0 HB3 ASN A 89 23.757 -2.418 -11.970 1.00 0.00 H new ATOM 0 HD21 ASN A 89 19.952 -3.823 -11.016 1.00 0.00 H new ATOM 0 HD22 ASN A 89 20.200 -2.295 -11.867 1.00 0.00 H new ATOM 1028 N GLY A 90 24.153 0.695 -10.042 1.00 0.00 N ATOM 1029 CA GLY A 90 25.409 1.411 -9.898 1.00 0.00 C ATOM 1030 C GLY A 90 25.166 2.903 -9.661 1.00 0.00 C ATOM 1031 O GLY A 90 25.801 3.510 -8.800 1.00 0.00 O ATOM 0 H GLY A 90 23.450 0.921 -9.338 1.00 0.00 H new ATOM 0 HA2 GLY A 90 25.976 0.994 -9.065 1.00 0.00 H new ATOM 0 HA3 GLY A 90 26.014 1.275 -10.795 1.00 0.00 H new ATOM 1035 N ILE A 91 24.244 3.451 -10.439 1.00 0.00 N ATOM 1036 CA ILE A 91 23.909 4.860 -10.325 1.00 0.00 C ATOM 1037 C ILE A 91 22.976 5.062 -9.129 1.00 0.00 C ATOM 1038 O ILE A 91 22.486 4.096 -8.548 1.00 0.00 O ATOM 1039 CB ILE A 91 23.340 5.385 -11.644 1.00 0.00 C ATOM 1040 CG1 ILE A 91 24.335 6.317 -12.338 1.00 0.00 C ATOM 1041 CG2 ILE A 91 21.982 6.055 -11.428 1.00 0.00 C ATOM 1042 CD1 ILE A 91 24.441 7.653 -11.600 1.00 0.00 C ATOM 0 H ILE A 91 23.718 2.944 -11.151 1.00 0.00 H new ATOM 0 HA ILE A 91 24.805 5.450 -10.135 1.00 0.00 H new ATOM 0 HB ILE A 91 23.178 4.536 -12.308 1.00 0.00 H new ATOM 0 HG12 ILE A 91 25.315 5.842 -12.380 1.00 0.00 H new ATOM 0 HG13 ILE A 91 24.020 6.490 -13.367 1.00 0.00 H new ATOM 0 HG21 ILE A 91 21.600 6.419 -12.382 1.00 0.00 H new ATOM 0 HG22 ILE A 91 21.282 5.332 -11.009 1.00 0.00 H new ATOM 0 HG23 ILE A 91 22.095 6.892 -10.739 1.00 0.00 H new ATOM 0 HD11 ILE A 91 25.155 8.297 -12.114 1.00 0.00 H new ATOM 0 HD12 ILE A 91 23.464 8.137 -11.581 1.00 0.00 H new ATOM 0 HD13 ILE A 91 24.780 7.479 -10.579 1.00 0.00 H new ATOM 1053 N LYS A 92 22.759 6.327 -8.796 1.00 0.00 N ATOM 1054 CA LYS A 92 21.894 6.668 -7.680 1.00 0.00 C ATOM 1055 C LYS A 92 20.433 6.561 -8.121 1.00 0.00 C ATOM 1056 O LYS A 92 20.047 7.123 -9.145 1.00 0.00 O ATOM 1057 CB LYS A 92 22.266 8.040 -7.114 1.00 0.00 C ATOM 1058 CG LYS A 92 21.453 8.353 -5.856 1.00 0.00 C ATOM 1059 CD LYS A 92 22.323 9.032 -4.796 1.00 0.00 C ATOM 1060 CE LYS A 92 22.333 10.550 -4.985 1.00 0.00 C ATOM 1061 NZ LYS A 92 22.868 11.220 -3.778 1.00 0.00 N ATOM 0 H LYS A 92 23.167 7.127 -9.280 1.00 0.00 H new ATOM 0 HA LYS A 92 22.033 5.962 -6.861 1.00 0.00 H new ATOM 0 HB2 LYS A 92 23.330 8.064 -6.879 1.00 0.00 H new ATOM 0 HB3 LYS A 92 22.088 8.808 -7.867 1.00 0.00 H new ATOM 0 HG2 LYS A 92 20.614 9.000 -6.112 1.00 0.00 H new ATOM 0 HG3 LYS A 92 21.033 7.432 -5.452 1.00 0.00 H new ATOM 0 HD2 LYS A 92 21.948 8.788 -3.802 1.00 0.00 H new ATOM 0 HD3 LYS A 92 23.341 8.648 -4.856 1.00 0.00 H new ATOM 0 HE2 LYS A 92 22.940 10.810 -5.852 1.00 0.00 H new ATOM 0 HE3 LYS A 92 21.322 10.904 -5.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 22.868 12.250 -3.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 22.272 10.986 -2.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 23.840 10.895 -3.603 1.00 0.00 H new ATOM 1071 N TYR A 93 19.660 5.836 -7.327 1.00 0.00 N ATOM 1072 CA TYR A 93 18.249 5.648 -7.623 1.00 0.00 C ATOM 1073 C TYR A 93 17.434 6.874 -7.209 1.00 0.00 C ATOM 1074 O TYR A 93 17.935 7.748 -6.503 1.00 0.00 O ATOM 1075 CB TYR A 93 17.800 4.446 -6.790 1.00 0.00 C ATOM 1076 CG TYR A 93 18.175 4.540 -5.310 1.00 0.00 C ATOM 1077 CD1 TYR A 93 17.635 5.537 -4.522 1.00 0.00 C ATOM 1078 CD2 TYR A 93 19.054 3.629 -4.761 1.00 0.00 C ATOM 1079 CE1 TYR A 93 17.989 5.625 -3.129 1.00 0.00 C ATOM 1080 CE2 TYR A 93 19.408 3.717 -3.369 1.00 0.00 C ATOM 1081 CZ TYR A 93 18.858 4.712 -2.621 1.00 0.00 C ATOM 1082 OH TYR A 93 19.192 4.795 -1.306 1.00 0.00 O ATOM 0 H TYR A 93 19.983 5.371 -6.479 1.00 0.00 H new ATOM 0 HA TYR A 93 18.098 5.496 -8.692 1.00 0.00 H new ATOM 0 HB2 TYR A 93 16.718 4.342 -6.874 1.00 0.00 H new ATOM 0 HB3 TYR A 93 18.241 3.541 -7.209 1.00 0.00 H new ATOM 0 HD1 TYR A 93 16.947 6.251 -4.950 1.00 0.00 H new ATOM 0 HD2 TYR A 93 19.477 2.849 -5.377 1.00 0.00 H new ATOM 0 HE1 TYR A 93 17.573 6.400 -2.502 1.00 0.00 H new ATOM 0 HE2 TYR A 93 20.095 3.010 -2.928 1.00 0.00 H new ATOM 0 HH TYR A 93 19.820 4.077 -1.082 1.00 0.00 H new ATOM 1091 N ASN A 94 16.190 6.900 -7.666 1.00 0.00 N ATOM 1092 CA ASN A 94 15.300 8.006 -7.353 1.00 0.00 C ATOM 1093 C ASN A 94 14.418 7.622 -6.163 1.00 0.00 C ATOM 1094 O ASN A 94 13.558 8.397 -5.748 1.00 0.00 O ATOM 1095 CB ASN A 94 14.386 8.329 -8.535 1.00 0.00 C ATOM 1096 CG ASN A 94 15.184 8.917 -9.701 1.00 0.00 C ATOM 1097 OD1 ASN A 94 14.782 9.876 -10.340 1.00 0.00 O ATOM 1098 ND2 ASN A 94 16.333 8.293 -9.940 1.00 0.00 N ATOM 0 H ASN A 94 15.777 6.173 -8.250 1.00 0.00 H new ATOM 0 HA ASN A 94 15.912 8.878 -7.123 1.00 0.00 H new ATOM 0 HB2 ASN A 94 13.873 7.424 -8.861 1.00 0.00 H new ATOM 0 HB3 ASN A 94 13.618 9.036 -8.222 1.00 0.00 H new ATOM 0 HD21 ASN A 94 16.938 8.611 -10.697 1.00 0.00 H new ATOM 0 HD22 ASN A 94 16.609 7.496 -9.366 1.00 0.00 H new ATOM 1104 N THR A 95 14.661 6.426 -5.648 1.00 0.00 N ATOM 1105 CA THR A 95 13.899 5.929 -4.515 1.00 0.00 C ATOM 1106 C THR A 95 12.601 5.274 -4.991 1.00 0.00 C ATOM 1107 O THR A 95 12.498 4.049 -5.031 1.00 0.00 O ATOM 1108 CB THR A 95 13.673 7.095 -3.550 1.00 0.00 C ATOM 1109 OG1 THR A 95 14.891 7.833 -3.605 1.00 0.00 O ATOM 1110 CG2 THR A 95 13.579 6.639 -2.093 1.00 0.00 C ATOM 0 H THR A 95 15.375 5.786 -5.995 1.00 0.00 H new ATOM 0 HA THR A 95 14.444 5.149 -3.984 1.00 0.00 H new ATOM 0 HB THR A 95 12.759 7.622 -3.825 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.831 8.609 -3.009 1.00 0.00 H new ATOM 0 HG21 THR A 95 13.419 7.505 -1.450 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.746 5.945 -1.982 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.506 6.142 -1.807 1.00 0.00 H new ATOM 1118 N THR A 96 11.642 6.119 -5.341 1.00 0.00 N ATOM 1119 CA THR A 96 10.356 5.638 -5.812 1.00 0.00 C ATOM 1120 C THR A 96 9.982 4.333 -5.105 1.00 0.00 C ATOM 1121 O THR A 96 10.139 3.251 -5.667 1.00 0.00 O ATOM 1122 CB THR A 96 10.430 5.504 -7.334 1.00 0.00 C ATOM 1123 OG1 THR A 96 11.291 4.388 -7.543 1.00 0.00 O ATOM 1124 CG2 THR A 96 11.169 6.672 -7.990 1.00 0.00 C ATOM 0 H THR A 96 11.731 7.135 -5.307 1.00 0.00 H new ATOM 0 HA THR A 96 9.559 6.341 -5.571 1.00 0.00 H new ATOM 0 HB THR A 96 9.421 5.438 -7.741 1.00 0.00 H new ATOM 0 HG1 THR A 96 10.886 3.585 -7.153 1.00 0.00 H new ATOM 0 HG21 THR A 96 11.193 6.527 -9.070 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.653 7.604 -7.760 1.00 0.00 H new ATOM 0 HG23 THR A 96 12.189 6.718 -7.608 1.00 0.00 H new ATOM 1132 N ARG A 97 9.494 4.480 -3.881 1.00 0.00 N ATOM 1133 CA ARG A 97 9.097 3.327 -3.091 1.00 0.00 C ATOM 1134 C ARG A 97 8.648 2.185 -4.006 1.00 0.00 C ATOM 1135 O ARG A 97 7.500 2.152 -4.446 1.00 0.00 O ATOM 1136 CB ARG A 97 7.958 3.681 -2.133 1.00 0.00 C ATOM 1137 CG ARG A 97 8.460 4.564 -0.988 1.00 0.00 C ATOM 1138 CD ARG A 97 8.866 3.716 0.219 1.00 0.00 C ATOM 1139 NE ARG A 97 8.716 4.503 1.463 1.00 0.00 N ATOM 1140 CZ ARG A 97 8.956 4.020 2.690 1.00 0.00 C ATOM 1141 NH1 ARG A 97 9.357 2.752 2.845 1.00 0.00 N ATOM 1142 NH2 ARG A 97 8.793 4.807 3.763 1.00 0.00 N ATOM 0 H ARG A 97 9.365 5.380 -3.418 1.00 0.00 H new ATOM 0 HA ARG A 97 9.962 3.011 -2.508 1.00 0.00 H new ATOM 0 HB2 ARG A 97 7.168 4.199 -2.677 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.521 2.768 -1.728 1.00 0.00 H new ATOM 0 HG2 ARG A 97 9.312 5.154 -1.326 1.00 0.00 H new ATOM 0 HG3 ARG A 97 7.680 5.267 -0.697 1.00 0.00 H new ATOM 0 HD2 ARG A 97 8.248 2.820 0.269 1.00 0.00 H new ATOM 0 HD3 ARG A 97 9.899 3.385 0.111 1.00 0.00 H new ATOM 0 HE ARG A 97 8.411 5.473 1.382 1.00 0.00 H new ATOM 0 HH11 ARG A 97 9.480 2.153 2.029 1.00 0.00 H new ATOM 0 HH12 ARG A 97 9.539 2.385 3.779 1.00 0.00 H new ATOM 0 HH21 ARG A 97 8.486 5.773 3.645 1.00 0.00 H new ATOM 0 HH22 ARG A 97 8.975 4.440 4.697 1.00 0.00 H new ATOM 1153 N ASN A 98 9.577 1.277 -4.265 1.00 0.00 N ATOM 1154 CA ASN A 98 9.292 0.138 -5.120 1.00 0.00 C ATOM 1155 C ASN A 98 8.267 -0.767 -4.432 1.00 0.00 C ATOM 1156 O ASN A 98 8.236 -0.854 -3.204 1.00 0.00 O ATOM 1157 CB ASN A 98 10.554 -0.689 -5.376 1.00 0.00 C ATOM 1158 CG ASN A 98 11.322 -0.933 -4.077 1.00 0.00 C ATOM 1159 OD1 ASN A 98 12.323 -0.297 -3.787 1.00 0.00 O ATOM 1160 ND2 ASN A 98 10.802 -1.888 -3.311 1.00 0.00 N ATOM 0 H ASN A 98 10.528 1.307 -3.898 1.00 0.00 H new ATOM 0 HA ASN A 98 8.910 0.516 -6.068 1.00 0.00 H new ATOM 0 HB2 ASN A 98 10.282 -1.644 -5.827 1.00 0.00 H new ATOM 0 HB3 ASN A 98 11.194 -0.170 -6.089 1.00 0.00 H new ATOM 0 HD21 ASN A 98 11.243 -2.126 -2.423 1.00 0.00 H new ATOM 0 HD22 ASN A 98 9.962 -2.382 -3.612 1.00 0.00 H new ATOM 1166 N ALA A 99 7.453 -1.416 -5.250 1.00 0.00 N ATOM 1167 CA ALA A 99 6.430 -2.310 -4.736 1.00 0.00 C ATOM 1168 C ALA A 99 5.632 -2.891 -5.904 1.00 0.00 C ATOM 1169 O ALA A 99 5.840 -2.508 -7.054 1.00 0.00 O ATOM 1170 CB ALA A 99 5.544 -1.554 -3.743 1.00 0.00 C ATOM 0 H ALA A 99 7.481 -1.341 -6.267 1.00 0.00 H new ATOM 0 HA ALA A 99 6.883 -3.144 -4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.776 -2.224 -3.357 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.154 -1.187 -2.917 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.070 -0.711 -4.246 1.00 0.00 H new ATOM 1176 N TYR A 100 4.734 -3.807 -5.568 1.00 0.00 N ATOM 1177 CA TYR A 100 3.904 -4.445 -6.577 1.00 0.00 C ATOM 1178 C TYR A 100 2.422 -4.348 -6.207 1.00 0.00 C ATOM 1179 O TYR A 100 2.033 -4.687 -5.090 1.00 0.00 O ATOM 1180 CB TYR A 100 4.317 -5.918 -6.593 1.00 0.00 C ATOM 1181 CG TYR A 100 5.534 -6.212 -7.473 1.00 0.00 C ATOM 1182 CD1 TYR A 100 6.747 -5.615 -7.195 1.00 0.00 C ATOM 1183 CD2 TYR A 100 5.419 -7.074 -8.544 1.00 0.00 C ATOM 1184 CE1 TYR A 100 7.892 -5.892 -8.023 1.00 0.00 C ATOM 1185 CE2 TYR A 100 6.564 -7.351 -9.372 1.00 0.00 C ATOM 1186 CZ TYR A 100 7.744 -6.747 -9.071 1.00 0.00 C ATOM 1187 OH TYR A 100 8.826 -7.009 -9.852 1.00 0.00 O ATOM 0 H TYR A 100 4.563 -4.122 -4.613 1.00 0.00 H new ATOM 0 HA TYR A 100 4.037 -3.963 -7.545 1.00 0.00 H new ATOM 0 HB2 TYR A 100 4.533 -6.235 -5.573 1.00 0.00 H new ATOM 0 HB3 TYR A 100 3.476 -6.517 -6.942 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.837 -4.940 -6.357 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.470 -7.541 -8.761 1.00 0.00 H new ATOM 0 HE1 TYR A 100 8.847 -5.431 -7.817 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.487 -8.024 -10.213 1.00 0.00 H new ATOM 0 HH TYR A 100 8.573 -7.637 -10.561 1.00 0.00 H new ATOM 1196 N ARG A 101 1.635 -3.883 -7.166 1.00 0.00 N ATOM 1197 CA ARG A 101 0.205 -3.737 -6.956 1.00 0.00 C ATOM 1198 C ARG A 101 -0.571 -4.454 -8.062 1.00 0.00 C ATOM 1199 O ARG A 101 -0.993 -3.829 -9.035 1.00 0.00 O ATOM 1200 CB ARG A 101 -0.201 -2.262 -6.932 1.00 0.00 C ATOM 1201 CG ARG A 101 -0.710 -1.856 -5.547 1.00 0.00 C ATOM 1202 CD ARG A 101 -2.034 -1.096 -5.651 1.00 0.00 C ATOM 1203 NE ARG A 101 -2.987 -1.597 -4.636 1.00 0.00 N ATOM 1204 CZ ARG A 101 -2.865 -1.380 -3.319 1.00 0.00 C ATOM 1205 NH1 ARG A 101 -1.830 -0.669 -2.850 1.00 0.00 N ATOM 1206 NH2 ARG A 101 -3.778 -1.874 -2.471 1.00 0.00 N ATOM 0 H ARG A 101 1.961 -3.602 -8.091 1.00 0.00 H new ATOM 0 HA ARG A 101 -0.035 -4.184 -5.991 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.652 -1.642 -7.206 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -0.977 -2.083 -7.676 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.844 -2.744 -4.930 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.034 -1.232 -5.051 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.863 -0.029 -5.506 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.455 -1.218 -6.649 1.00 0.00 H new ATOM 0 HE ARG A 101 -3.787 -2.142 -4.959 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -1.135 -0.293 -3.495 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -1.737 -0.504 -1.848 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -4.566 -2.415 -2.828 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.685 -1.709 -1.469 1.00 0.00 H new ATOM 1217 N GLU A 102 -0.733 -5.756 -7.879 1.00 0.00 N ATOM 1218 CA GLU A 102 -1.451 -6.564 -8.850 1.00 0.00 C ATOM 1219 C GLU A 102 -2.950 -6.266 -8.786 1.00 0.00 C ATOM 1220 O GLU A 102 -3.485 -5.981 -7.716 1.00 0.00 O ATOM 1221 CB GLU A 102 -1.178 -8.054 -8.632 1.00 0.00 C ATOM 1222 CG GLU A 102 -2.042 -8.911 -9.560 1.00 0.00 C ATOM 1223 CD GLU A 102 -1.569 -10.367 -9.559 1.00 0.00 C ATOM 1224 OE1 GLU A 102 -1.540 -10.953 -8.454 1.00 0.00 O ATOM 1225 OE2 GLU A 102 -1.248 -10.861 -10.661 1.00 0.00 O ATOM 0 H GLU A 102 -0.379 -6.271 -7.073 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.092 -6.304 -9.846 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.124 -8.265 -8.813 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.382 -8.317 -7.594 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.083 -8.863 -9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.000 -8.512 -10.573 1.00 0.00 H new ATOM 1230 N CYS A 103 -3.586 -6.343 -9.946 1.00 0.00 N ATOM 1231 CA CYS A 103 -5.013 -6.084 -10.035 1.00 0.00 C ATOM 1232 C CYS A 103 -5.674 -7.273 -10.736 1.00 0.00 C ATOM 1233 O CYS A 103 -5.094 -7.861 -11.648 1.00 0.00 O ATOM 1234 CB CYS A 103 -5.306 -4.764 -10.751 1.00 0.00 C ATOM 1235 SG CYS A 103 -6.114 -3.492 -9.715 1.00 0.00 S ATOM 0 H CYS A 103 -3.139 -6.581 -10.832 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.429 -5.977 -9.033 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.369 -4.359 -11.134 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -5.941 -4.968 -11.613 1.00 0.00 H new ATOM 1239 N LEU A 104 -6.879 -7.590 -10.284 1.00 0.00 N ATOM 1240 CA LEU A 104 -7.624 -8.698 -10.858 1.00 0.00 C ATOM 1241 C LEU A 104 -8.478 -8.185 -12.019 1.00 0.00 C ATOM 1242 O LEU A 104 -8.807 -7.002 -12.077 1.00 0.00 O ATOM 1243 CB LEU A 104 -8.429 -9.419 -9.774 1.00 0.00 C ATOM 1244 CG LEU A 104 -7.732 -10.601 -9.097 1.00 0.00 C ATOM 1245 CD1 LEU A 104 -8.224 -10.775 -7.657 1.00 0.00 C ATOM 1246 CD2 LEU A 104 -7.899 -11.881 -9.918 1.00 0.00 C ATOM 0 H LEU A 104 -7.357 -7.100 -9.528 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.943 -9.444 -11.268 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.699 -8.694 -9.007 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.359 -9.776 -10.217 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.664 -10.387 -9.050 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.713 -11.622 -7.198 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.011 -9.870 -7.088 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.299 -10.957 -7.659 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.394 -12.705 -9.414 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.959 -12.113 -10.019 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.463 -11.739 -10.907 1.00 0.00 H new ATOM 1257 N GLU A 105 -8.812 -9.103 -12.916 1.00 0.00 N ATOM 1258 CA GLU A 105 -9.621 -8.759 -14.073 1.00 0.00 C ATOM 1259 C GLU A 105 -11.088 -8.599 -13.666 1.00 0.00 C ATOM 1260 O GLU A 105 -11.941 -8.318 -14.505 1.00 0.00 O ATOM 1261 CB GLU A 105 -9.470 -9.804 -15.178 1.00 0.00 C ATOM 1262 CG GLU A 105 -9.976 -11.171 -14.714 1.00 0.00 C ATOM 1263 CD GLU A 105 -9.061 -12.293 -15.208 1.00 0.00 C ATOM 1264 OE1 GLU A 105 -7.834 -12.153 -15.010 1.00 0.00 O ATOM 1265 OE2 GLU A 105 -9.607 -13.265 -15.772 1.00 0.00 O ATOM 0 H GLU A 105 -8.537 -10.084 -12.864 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.268 -7.807 -14.469 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.025 -9.487 -16.061 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.423 -9.880 -15.470 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.028 -11.193 -13.625 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.988 -11.333 -15.085 1.00 0.00 H new ATOM 1270 N ASN A 106 -11.335 -8.785 -12.378 1.00 0.00 N ATOM 1271 CA ASN A 106 -12.683 -8.666 -11.849 1.00 0.00 C ATOM 1272 C ASN A 106 -12.892 -7.249 -11.313 1.00 0.00 C ATOM 1273 O ASN A 106 -13.973 -6.917 -10.829 1.00 0.00 O ATOM 1274 CB ASN A 106 -12.913 -9.647 -10.699 1.00 0.00 C ATOM 1275 CG ASN A 106 -14.366 -10.126 -10.668 1.00 0.00 C ATOM 1276 OD1 ASN A 106 -15.200 -9.615 -9.938 1.00 0.00 O ATOM 1277 ND2 ASN A 106 -14.621 -11.133 -11.499 1.00 0.00 N ATOM 0 H ASN A 106 -10.624 -9.017 -11.685 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.382 -8.888 -12.655 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.247 -10.503 -10.808 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.664 -9.168 -9.752 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -15.561 -11.524 -11.553 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -13.876 -11.514 -12.083 1.00 0.00 H new ATOM 1283 N GLY A 107 -11.839 -6.451 -11.414 1.00 0.00 N ATOM 1284 CA GLY A 107 -11.893 -5.077 -10.945 1.00 0.00 C ATOM 1285 C GLY A 107 -11.684 -5.006 -9.430 1.00 0.00 C ATOM 1286 O GLY A 107 -12.529 -4.480 -8.706 1.00 0.00 O ATOM 0 H GLY A 107 -10.943 -6.730 -11.814 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -11.128 -4.486 -11.449 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -12.857 -4.638 -11.204 1.00 0.00 H new ATOM 1290 N THR A 108 -10.555 -5.544 -8.996 1.00 0.00 N ATOM 1291 CA THR A 108 -10.223 -5.549 -7.581 1.00 0.00 C ATOM 1292 C THR A 108 -8.708 -5.451 -7.387 1.00 0.00 C ATOM 1293 O THR A 108 -7.943 -5.672 -8.325 1.00 0.00 O ATOM 1294 CB THR A 108 -10.835 -6.805 -6.957 1.00 0.00 C ATOM 1295 OG1 THR A 108 -10.256 -7.878 -7.694 1.00 0.00 O ATOM 1296 CG2 THR A 108 -12.334 -6.927 -7.237 1.00 0.00 C ATOM 0 H THR A 108 -9.858 -5.980 -9.599 1.00 0.00 H new ATOM 0 HA THR A 108 -10.640 -4.679 -7.074 1.00 0.00 H new ATOM 0 HB THR A 108 -10.666 -6.793 -5.880 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.598 -8.731 -7.353 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.718 -7.835 -6.772 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.853 -6.061 -6.825 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.501 -6.972 -8.313 1.00 0.00 H new ATOM 1304 N TRP A 109 -8.321 -5.120 -6.165 1.00 0.00 N ATOM 1305 CA TRP A 109 -6.911 -4.990 -5.836 1.00 0.00 C ATOM 1306 C TRP A 109 -6.425 -6.336 -5.297 1.00 0.00 C ATOM 1307 O TRP A 109 -7.197 -7.290 -5.211 1.00 0.00 O ATOM 1308 CB TRP A 109 -6.681 -3.836 -4.859 1.00 0.00 C ATOM 1309 CG TRP A 109 -6.402 -2.492 -5.536 1.00 0.00 C ATOM 1310 CD1 TRP A 109 -6.981 -1.309 -5.291 1.00 0.00 C ATOM 1311 CD2 TRP A 109 -5.444 -2.241 -6.586 1.00 0.00 C ATOM 1312 NE1 TRP A 109 -6.469 -0.318 -6.102 1.00 0.00 N ATOM 1313 CE2 TRP A 109 -5.506 -0.903 -6.916 1.00 0.00 C ATOM 1314 CE3 TRP A 109 -4.556 -3.116 -7.236 1.00 0.00 C ATOM 1315 CZ2 TRP A 109 -4.704 -0.319 -7.904 1.00 0.00 C ATOM 1316 CZ3 TRP A 109 -3.762 -2.517 -8.222 1.00 0.00 C ATOM 1317 CH2 TRP A 109 -3.812 -1.171 -8.565 1.00 0.00 C ATOM 0 H TRP A 109 -8.959 -4.938 -5.390 1.00 0.00 H new ATOM 0 HA TRP A 109 -6.329 -4.741 -6.723 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -7.558 -3.734 -4.220 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -5.842 -4.085 -4.210 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.752 -1.151 -4.551 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -6.746 0.664 -6.104 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -4.491 -4.167 -6.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -4.770 0.732 -8.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -3.062 -3.145 -8.753 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -3.165 -0.784 -9.338 1.00 0.00 H new ATOM 1327 N ALA A 110 -5.148 -6.372 -4.947 1.00 0.00 N ATOM 1328 CA ALA A 110 -4.550 -7.586 -4.419 1.00 0.00 C ATOM 1329 C ALA A 110 -4.471 -7.489 -2.894 1.00 0.00 C ATOM 1330 O ALA A 110 -5.250 -6.768 -2.274 1.00 0.00 O ATOM 1331 CB ALA A 110 -3.177 -7.800 -5.061 1.00 0.00 C ATOM 0 H ALA A 110 -4.510 -5.579 -5.019 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.163 -8.453 -4.663 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -2.728 -8.711 -4.665 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.291 -7.892 -6.141 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.533 -6.950 -4.835 1.00 0.00 H new ATOM 1337 N SER A 111 -3.522 -8.226 -2.334 1.00 0.00 N ATOM 1338 CA SER A 111 -3.332 -8.232 -0.895 1.00 0.00 C ATOM 1339 C SER A 111 -2.817 -6.868 -0.429 1.00 0.00 C ATOM 1340 O SER A 111 -3.572 -6.072 0.128 1.00 0.00 O ATOM 1341 CB SER A 111 -2.363 -9.338 -0.471 1.00 0.00 C ATOM 1342 OG SER A 111 -2.900 -10.147 0.572 1.00 0.00 O ATOM 0 H SER A 111 -2.877 -8.823 -2.852 1.00 0.00 H new ATOM 0 HA SER A 111 -4.295 -8.430 -0.424 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.129 -9.964 -1.332 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.426 -8.891 -0.138 1.00 0.00 H new ATOM 0 HG SER A 111 -2.253 -10.842 0.813 1.00 0.00 H new ATOM 1347 N ARG A 112 -1.535 -6.641 -0.673 1.00 0.00 N ATOM 1348 CA ARG A 112 -0.909 -5.387 -0.286 1.00 0.00 C ATOM 1349 C ARG A 112 0.352 -5.145 -1.116 1.00 0.00 C ATOM 1350 O ARG A 112 1.075 -6.085 -1.442 1.00 0.00 O ATOM 1351 CB ARG A 112 -0.541 -5.391 1.199 1.00 0.00 C ATOM 1352 CG ARG A 112 0.339 -6.594 1.542 1.00 0.00 C ATOM 1353 CD ARG A 112 -0.324 -7.473 2.605 1.00 0.00 C ATOM 1354 NE ARG A 112 -0.322 -6.778 3.911 1.00 0.00 N ATOM 1355 CZ ARG A 112 -1.171 -7.054 4.910 1.00 0.00 C ATOM 1356 NH1 ARG A 112 -2.096 -8.012 4.759 1.00 0.00 N ATOM 1357 NH2 ARG A 112 -1.096 -6.372 6.061 1.00 0.00 N ATOM 0 H ARG A 112 -0.912 -7.304 -1.134 1.00 0.00 H new ATOM 0 HA ARG A 112 -1.627 -4.588 -0.469 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.017 -4.469 1.450 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -1.449 -5.416 1.802 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.524 -7.182 0.643 1.00 0.00 H new ATOM 0 HG3 ARG A 112 1.308 -6.249 1.903 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.347 -7.706 2.309 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.208 -8.421 2.688 1.00 0.00 H new ATOM 0 HE ARG A 112 0.369 -6.043 4.060 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.154 -8.531 3.883 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.742 -8.222 5.520 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.392 -5.643 6.177 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -1.742 -6.582 6.821 1.00 0.00 H new ATOM 1368 N VAL A 113 0.578 -3.880 -1.435 1.00 0.00 N ATOM 1369 CA VAL A 113 1.741 -3.501 -2.221 1.00 0.00 C ATOM 1370 C VAL A 113 2.946 -3.337 -1.295 1.00 0.00 C ATOM 1371 O VAL A 113 2.840 -2.718 -0.236 1.00 0.00 O ATOM 1372 CB VAL A 113 1.436 -2.242 -3.035 1.00 0.00 C ATOM 1373 CG1 VAL A 113 1.412 -1.003 -2.139 1.00 0.00 C ATOM 1374 CG2 VAL A 113 2.436 -2.072 -4.180 1.00 0.00 C ATOM 0 H VAL A 113 -0.025 -3.103 -1.164 1.00 0.00 H new ATOM 0 HA VAL A 113 1.987 -4.283 -2.939 1.00 0.00 H new ATOM 0 HB VAL A 113 0.444 -2.359 -3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.193 -0.122 -2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.643 -1.121 -1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 113 2.383 -0.882 -1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.196 -1.169 -4.742 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.444 -1.989 -3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.382 -2.937 -4.842 1.00 0.00 H new ATOM 1384 N ASN A 114 4.064 -3.901 -1.725 1.00 0.00 N ATOM 1385 CA ASN A 114 5.290 -3.824 -0.946 1.00 0.00 C ATOM 1386 C ASN A 114 6.223 -4.965 -1.358 1.00 0.00 C ATOM 1387 O ASN A 114 7.438 -4.786 -1.419 1.00 0.00 O ATOM 1388 CB ASN A 114 5.002 -3.966 0.550 1.00 0.00 C ATOM 1389 CG ASN A 114 3.953 -5.050 0.806 1.00 0.00 C ATOM 1390 OD1 ASN A 114 2.771 -4.785 0.954 1.00 0.00 O ATOM 1391 ND2 ASN A 114 4.449 -6.283 0.849 1.00 0.00 N ATOM 0 H ASN A 114 4.148 -4.414 -2.603 1.00 0.00 H new ATOM 0 HA ASN A 114 5.749 -2.853 -1.134 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.922 -4.213 1.079 1.00 0.00 H new ATOM 0 HB3 ASN A 114 4.651 -3.014 0.948 1.00 0.00 H new ATOM 0 HD21 ASN A 114 3.830 -7.076 1.014 1.00 0.00 H new ATOM 0 HD22 ASN A 114 5.449 -6.435 0.717 1.00 0.00 H new ATOM 1397 N TYR A 115 5.618 -6.112 -1.629 1.00 0.00 N ATOM 1398 CA TYR A 115 6.381 -7.282 -2.033 1.00 0.00 C ATOM 1399 C TYR A 115 7.072 -7.048 -3.377 1.00 0.00 C ATOM 1400 O TYR A 115 6.706 -7.656 -4.382 1.00 0.00 O ATOM 1401 CB TYR A 115 5.364 -8.415 -2.186 1.00 0.00 C ATOM 1402 CG TYR A 115 4.274 -8.137 -3.224 1.00 0.00 C ATOM 1403 CD1 TYR A 115 3.151 -7.418 -2.869 1.00 0.00 C ATOM 1404 CD2 TYR A 115 4.414 -8.607 -4.514 1.00 0.00 C ATOM 1405 CE1 TYR A 115 2.126 -7.156 -3.846 1.00 0.00 C ATOM 1406 CE2 TYR A 115 3.388 -8.345 -5.491 1.00 0.00 C ATOM 1407 CZ TYR A 115 2.295 -7.633 -5.108 1.00 0.00 C ATOM 1408 OH TYR A 115 1.326 -7.386 -6.030 1.00 0.00 O ATOM 0 H TYR A 115 4.610 -6.257 -1.577 1.00 0.00 H new ATOM 0 HA TYR A 115 7.154 -7.510 -1.299 1.00 0.00 H new ATOM 0 HB2 TYR A 115 5.891 -9.328 -2.463 1.00 0.00 H new ATOM 0 HB3 TYR A 115 4.893 -8.600 -1.220 1.00 0.00 H new ATOM 0 HD1 TYR A 115 3.041 -7.052 -1.859 1.00 0.00 H new ATOM 0 HD2 TYR A 115 5.292 -9.171 -4.791 1.00 0.00 H new ATOM 0 HE1 TYR A 115 1.243 -6.593 -3.582 1.00 0.00 H new ATOM 0 HE2 TYR A 115 3.485 -8.706 -6.504 1.00 0.00 H new ATOM 0 HH TYR A 115 1.581 -7.785 -6.888 1.00 0.00 H new ATOM 1417 N SER A 116 8.061 -6.166 -3.353 1.00 0.00 N ATOM 1418 CA SER A 116 8.807 -5.845 -4.558 1.00 0.00 C ATOM 1419 C SER A 116 10.097 -6.665 -4.608 1.00 0.00 C ATOM 1420 O SER A 116 10.623 -6.936 -5.686 1.00 0.00 O ATOM 1421 CB SER A 116 9.126 -4.349 -4.625 1.00 0.00 C ATOM 1422 OG SER A 116 8.593 -3.743 -5.800 1.00 0.00 O ATOM 0 H SER A 116 8.363 -5.664 -2.518 1.00 0.00 H new ATOM 0 HA SER A 116 8.190 -6.097 -5.421 1.00 0.00 H new ATOM 0 HB2 SER A 116 8.720 -3.852 -3.744 1.00 0.00 H new ATOM 0 HB3 SER A 116 10.206 -4.207 -4.602 1.00 0.00 H new ATOM 0 HG SER A 116 8.391 -4.436 -6.463 1.00 0.00 H new ATOM 1427 N HIS A 117 10.571 -7.037 -3.428 1.00 0.00 N ATOM 1428 CA HIS A 117 11.791 -7.820 -3.324 1.00 0.00 C ATOM 1429 C HIS A 117 12.915 -7.125 -4.092 1.00 0.00 C ATOM 1430 O HIS A 117 13.789 -7.783 -4.653 1.00 0.00 O ATOM 1431 CB HIS A 117 11.554 -9.258 -3.792 1.00 0.00 C ATOM 1432 CG HIS A 117 11.335 -9.390 -5.280 1.00 0.00 C ATOM 1433 ND1 HIS A 117 12.332 -9.150 -6.209 1.00 0.00 N ATOM 1434 CD2 HIS A 117 10.225 -9.743 -5.989 1.00 0.00 C ATOM 1435 CE1 HIS A 117 11.833 -9.350 -7.420 1.00 0.00 C ATOM 1436 NE2 HIS A 117 10.526 -9.717 -7.282 1.00 0.00 N ATOM 0 H HIS A 117 10.132 -6.811 -2.535 1.00 0.00 H new ATOM 0 HA HIS A 117 12.098 -7.884 -2.280 1.00 0.00 H new ATOM 0 HB2 HIS A 117 12.410 -9.869 -3.505 1.00 0.00 H new ATOM 0 HB3 HIS A 117 10.686 -9.661 -3.270 1.00 0.00 H new ATOM 0 HD1 HIS A 117 13.289 -8.867 -5.997 1.00 0.00 H new ATOM 0 HD2 HIS A 117 9.264 -10.000 -5.570 1.00 0.00 H new ATOM 0 HE1 HIS A 117 12.367 -9.242 -8.353 1.00 0.00 H new ATOM 1443 N CYS A 118 12.857 -5.801 -4.093 1.00 0.00 N ATOM 1444 CA CYS A 118 13.859 -5.008 -4.784 1.00 0.00 C ATOM 1445 C CYS A 118 14.898 -4.548 -3.758 1.00 0.00 C ATOM 1446 O CYS A 118 16.019 -4.195 -4.121 1.00 0.00 O ATOM 1447 CB CYS A 118 13.233 -3.828 -5.530 1.00 0.00 C ATOM 1448 SG CYS A 118 13.712 -3.692 -7.291 1.00 0.00 S ATOM 0 H CYS A 118 12.131 -5.258 -3.626 1.00 0.00 H new ATOM 0 HA CYS A 118 14.346 -5.617 -5.546 1.00 0.00 H new ATOM 0 HB2 CYS A 118 12.148 -3.912 -5.469 1.00 0.00 H new ATOM 0 HB3 CYS A 118 13.511 -2.905 -5.020 1.00 0.00 H new ATOM 1452 N GLU A 119 14.487 -4.567 -2.499 1.00 0.00 N ATOM 1453 CA GLU A 119 15.368 -4.156 -1.419 1.00 0.00 C ATOM 1454 C GLU A 119 16.586 -5.080 -1.346 1.00 0.00 C ATOM 1455 O GLU A 119 17.723 -4.612 -1.323 1.00 0.00 O ATOM 1456 CB GLU A 119 14.622 -4.127 -0.084 1.00 0.00 C ATOM 1457 CG GLU A 119 14.635 -2.722 0.522 1.00 0.00 C ATOM 1458 CD GLU A 119 14.283 -2.763 2.011 1.00 0.00 C ATOM 1459 OE1 GLU A 119 14.549 -3.817 2.628 1.00 0.00 O ATOM 1460 OE2 GLU A 119 13.756 -1.739 2.497 1.00 0.00 O ATOM 0 H GLU A 119 13.556 -4.860 -2.202 1.00 0.00 H new ATOM 0 HA GLU A 119 15.716 -3.144 -1.626 1.00 0.00 H new ATOM 0 HB2 GLU A 119 13.593 -4.454 -0.232 1.00 0.00 H new ATOM 0 HB3 GLU A 119 15.083 -4.830 0.610 1.00 0.00 H new ATOM 0 HG2 GLU A 119 15.620 -2.274 0.390 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.923 -2.088 -0.006 1.00 0.00 H new ATOM 1465 N PRO A 120 16.298 -6.408 -1.312 1.00 0.00 N ATOM 1466 CA PRO A 120 17.356 -7.401 -1.243 1.00 0.00 C ATOM 1467 C PRO A 120 18.056 -7.552 -2.594 1.00 0.00 C ATOM 1468 O PRO A 120 18.056 -8.634 -3.180 1.00 0.00 O ATOM 1469 CB PRO A 120 16.669 -8.677 -0.784 1.00 0.00 C ATOM 1470 CG PRO A 120 15.187 -8.475 -1.060 1.00 0.00 C ATOM 1471 CD PRO A 120 14.962 -6.998 -1.338 1.00 0.00 C ATOM 0 HA PRO A 120 18.150 -7.121 -0.551 1.00 0.00 H new ATOM 0 HB2 PRO A 120 17.052 -9.543 -1.324 1.00 0.00 H new ATOM 0 HB3 PRO A 120 16.848 -8.857 0.276 1.00 0.00 H new ATOM 0 HG2 PRO A 120 14.872 -9.076 -1.913 1.00 0.00 H new ATOM 0 HG3 PRO A 120 14.592 -8.798 -0.206 1.00 0.00 H new ATOM 0 HD2 PRO A 120 14.481 -6.846 -2.304 1.00 0.00 H new ATOM 0 HD3 PRO A 120 14.315 -6.547 -0.585 1.00 0.00 H new ATOM 1476 N ILE A 121 18.635 -6.453 -3.052 1.00 0.00 N ATOM 1477 CA ILE A 121 19.337 -6.449 -4.323 1.00 0.00 C ATOM 1478 C ILE A 121 20.698 -7.126 -4.152 1.00 0.00 C ATOM 1479 O ILE A 121 21.069 -7.512 -3.045 1.00 0.00 O ATOM 1480 CB ILE A 121 19.423 -5.028 -4.884 1.00 0.00 C ATOM 1481 CG1 ILE A 121 19.671 -5.047 -6.393 1.00 0.00 C ATOM 1482 CG2 ILE A 121 20.481 -4.209 -4.141 1.00 0.00 C ATOM 1483 CD1 ILE A 121 18.979 -3.866 -7.078 1.00 0.00 C ATOM 0 H ILE A 121 18.632 -5.557 -2.564 1.00 0.00 H new ATOM 0 HA ILE A 121 18.785 -7.026 -5.064 1.00 0.00 H new ATOM 0 HB ILE A 121 18.462 -4.539 -4.722 1.00 0.00 H new ATOM 0 HG12 ILE A 121 20.742 -5.009 -6.589 1.00 0.00 H new ATOM 0 HG13 ILE A 121 19.303 -5.983 -6.814 1.00 0.00 H new ATOM 0 HG21 ILE A 121 20.522 -3.203 -4.559 1.00 0.00 H new ATOM 0 HG22 ILE A 121 20.221 -4.152 -3.084 1.00 0.00 H new ATOM 0 HG23 ILE A 121 21.454 -4.687 -4.250 1.00 0.00 H new ATOM 0 HD11 ILE A 121 19.172 -3.904 -8.150 1.00 0.00 H new ATOM 0 HD12 ILE A 121 17.905 -3.921 -6.900 1.00 0.00 H new ATOM 0 HD13 ILE A 121 19.367 -2.932 -6.672 1.00 0.00 H new ATOM 1494 N LEU A 122 21.407 -7.249 -5.265 1.00 0.00 N ATOM 1495 CA LEU A 122 22.719 -7.873 -5.252 1.00 0.00 C ATOM 1496 C LEU A 122 23.648 -7.117 -6.204 1.00 0.00 C ATOM 1497 O LEU A 122 24.349 -7.728 -7.008 1.00 0.00 O ATOM 1498 CB LEU A 122 22.605 -9.367 -5.561 1.00 0.00 C ATOM 1499 CG LEU A 122 21.897 -9.729 -6.868 1.00 0.00 C ATOM 1500 CD1 LEU A 122 22.552 -10.943 -7.528 1.00 0.00 C ATOM 1501 CD2 LEU A 122 20.399 -9.940 -6.640 1.00 0.00 C ATOM 0 H LEU A 122 21.097 -6.927 -6.182 1.00 0.00 H new ATOM 0 HA LEU A 122 23.161 -7.810 -4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.609 -9.790 -5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 122 22.076 -9.849 -4.739 1.00 0.00 H new ATOM 0 HG LEU A 122 22.003 -8.891 -7.557 1.00 0.00 H new ATOM 0 HD11 LEU A 122 22.030 -11.179 -8.455 1.00 0.00 H new ATOM 0 HD12 LEU A 122 23.596 -10.719 -7.747 1.00 0.00 H new ATOM 0 HD13 LEU A 122 22.498 -11.797 -6.853 1.00 0.00 H new ATOM 0 HD21 LEU A 122 19.920 -10.196 -7.585 1.00 0.00 H new ATOM 0 HD22 LEU A 122 20.250 -10.750 -5.926 1.00 0.00 H new ATOM 0 HD23 LEU A 122 19.958 -9.024 -6.246 1.00 0.00 H new ATOM 1512 N ASP A 123 23.623 -5.797 -6.081 1.00 0.00 N ATOM 1513 CA ASP A 123 24.454 -4.952 -6.920 1.00 0.00 C ATOM 1514 C ASP A 123 25.865 -4.887 -6.332 1.00 0.00 C ATOM 1515 O ASP A 123 26.267 -3.860 -5.788 1.00 0.00 O ATOM 1516 CB ASP A 123 23.902 -3.527 -6.985 1.00 0.00 C ATOM 1517 CG ASP A 123 23.850 -2.792 -5.643 1.00 0.00 C ATOM 1518 OD1 ASP A 123 23.442 -3.441 -4.656 1.00 0.00 O ATOM 1519 OD2 ASP A 123 24.219 -1.598 -5.636 1.00 0.00 O ATOM 0 H ASP A 123 23.040 -5.293 -5.413 1.00 0.00 H new ATOM 0 HA ASP A 123 24.466 -5.380 -7.923 1.00 0.00 H new ATOM 0 HB2 ASP A 123 24.514 -2.947 -7.676 1.00 0.00 H new ATOM 0 HB3 ASP A 123 22.896 -3.562 -7.402 1.00 0.00 H new ATOM 1523 N ASP A 124 26.579 -5.995 -6.462 1.00 0.00 N ATOM 1524 CA ASP A 124 27.936 -6.077 -5.950 1.00 0.00 C ATOM 1525 C ASP A 124 28.579 -7.380 -6.426 1.00 0.00 C ATOM 1526 O ASP A 124 27.911 -8.224 -7.021 1.00 0.00 O ATOM 1527 CB ASP A 124 27.948 -6.073 -4.420 1.00 0.00 C ATOM 1528 CG ASP A 124 29.117 -5.319 -3.784 1.00 0.00 C ATOM 1529 OD1 ASP A 124 29.393 -4.194 -4.258 1.00 0.00 O ATOM 1530 OD2 ASP A 124 29.711 -5.883 -2.840 1.00 0.00 O ATOM 0 H ASP A 124 26.243 -6.845 -6.915 1.00 0.00 H new ATOM 0 HA ASP A 124 28.488 -5.212 -6.317 1.00 0.00 H new ATOM 0 HB2 ASP A 124 27.016 -5.633 -4.066 1.00 0.00 H new ATOM 0 HB3 ASP A 124 27.967 -7.105 -4.069 1.00 0.00 H new ATOM 1534 N LYS A 125 29.867 -7.505 -6.145 1.00 0.00 N ATOM 1535 CA LYS A 125 30.607 -8.692 -6.536 1.00 0.00 C ATOM 1536 C LYS A 125 29.832 -9.938 -6.102 1.00 0.00 C ATOM 1537 O LYS A 125 28.841 -9.836 -5.382 1.00 0.00 O ATOM 1538 CB LYS A 125 32.037 -8.636 -5.993 1.00 0.00 C ATOM 1539 CG LYS A 125 32.882 -7.628 -6.773 1.00 0.00 C ATOM 1540 CD LYS A 125 34.375 -7.905 -6.590 1.00 0.00 C ATOM 1541 CE LYS A 125 34.973 -6.997 -5.513 1.00 0.00 C ATOM 1542 NZ LYS A 125 34.699 -7.544 -4.165 1.00 0.00 N ATOM 0 H LYS A 125 30.418 -6.803 -5.651 1.00 0.00 H new ATOM 0 HA LYS A 125 30.705 -8.739 -7.621 1.00 0.00 H new ATOM 0 HB2 LYS A 125 32.019 -8.361 -4.938 1.00 0.00 H new ATOM 0 HB3 LYS A 125 32.493 -9.624 -6.057 1.00 0.00 H new ATOM 0 HG2 LYS A 125 32.627 -7.676 -7.832 1.00 0.00 H new ATOM 0 HG3 LYS A 125 32.652 -6.617 -6.436 1.00 0.00 H new ATOM 0 HD2 LYS A 125 34.524 -8.949 -6.314 1.00 0.00 H new ATOM 0 HD3 LYS A 125 34.896 -7.747 -7.534 1.00 0.00 H new ATOM 0 HE2 LYS A 125 36.049 -6.904 -5.663 1.00 0.00 H new ATOM 0 HE3 LYS A 125 34.552 -5.995 -5.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 35.275 -7.039 -3.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 33.691 -7.422 -3.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 34.938 -8.556 -4.146 1.00 0.00 H new ATOM 1552 N GLN A 126 30.314 -11.084 -6.559 1.00 0.00 N ATOM 1553 CA GLN A 126 29.678 -12.348 -6.226 1.00 0.00 C ATOM 1554 C GLN A 126 30.484 -13.081 -5.151 1.00 0.00 C ATOM 1555 O GLN A 126 31.589 -12.665 -4.807 1.00 0.00 O ATOM 1556 CB GLN A 126 29.507 -13.220 -7.473 1.00 0.00 C ATOM 1557 CG GLN A 126 28.530 -12.578 -8.460 1.00 0.00 C ATOM 1558 CD GLN A 126 29.257 -12.108 -9.722 1.00 0.00 C ATOM 1559 OE1 GLN A 126 29.475 -12.857 -10.659 1.00 0.00 O ATOM 1560 NE2 GLN A 126 29.616 -10.827 -9.693 1.00 0.00 N ATOM 0 H GLN A 126 31.137 -11.164 -7.157 1.00 0.00 H new ATOM 0 HA GLN A 126 28.685 -12.140 -5.829 1.00 0.00 H new ATOM 0 HB2 GLN A 126 30.474 -13.365 -7.955 1.00 0.00 H new ATOM 0 HB3 GLN A 126 29.143 -14.206 -7.185 1.00 0.00 H new ATOM 0 HG2 GLN A 126 27.754 -13.295 -8.728 1.00 0.00 H new ATOM 0 HG3 GLN A 126 28.032 -11.732 -7.986 1.00 0.00 H new ATOM 0 HE21 GLN A 126 29.402 -10.256 -8.876 1.00 0.00 H new ATOM 0 HE22 GLN A 126 30.105 -10.416 -10.488 1.00 0.00 H new ATOM 1567 N ARG A 127 29.900 -14.160 -4.653 1.00 0.00 N ATOM 1568 CA ARG A 127 30.550 -14.954 -3.624 1.00 0.00 C ATOM 1569 C ARG A 127 31.713 -15.748 -4.222 1.00 0.00 C ATOM 1570 O ARG A 127 31.920 -15.735 -5.435 1.00 0.00 O ATOM 1571 CB ARG A 127 29.562 -15.924 -2.971 1.00 0.00 C ATOM 1572 CG ARG A 127 29.842 -16.066 -1.473 1.00 0.00 C ATOM 1573 CD ARG A 127 30.278 -17.492 -1.130 1.00 0.00 C ATOM 1574 NE ARG A 127 29.100 -18.384 -1.085 1.00 0.00 N ATOM 1575 CZ ARG A 127 28.239 -18.442 -0.059 1.00 0.00 C ATOM 1576 NH1 ARG A 127 28.422 -17.657 1.012 1.00 0.00 N ATOM 1577 NH2 ARG A 127 27.197 -19.283 -0.104 1.00 0.00 N ATOM 0 H ARG A 127 28.984 -14.503 -4.942 1.00 0.00 H new ATOM 0 HA ARG A 127 30.926 -14.269 -2.864 1.00 0.00 H new ATOM 0 HB2 ARG A 127 28.543 -15.567 -3.122 1.00 0.00 H new ATOM 0 HB3 ARG A 127 29.633 -16.900 -3.452 1.00 0.00 H new ATOM 0 HG2 ARG A 127 30.620 -15.363 -1.176 1.00 0.00 H new ATOM 0 HG3 ARG A 127 28.947 -15.809 -0.906 1.00 0.00 H new ATOM 0 HD2 ARG A 127 30.989 -17.852 -1.873 1.00 0.00 H new ATOM 0 HD3 ARG A 127 30.790 -17.503 -0.168 1.00 0.00 H new ATOM 0 HE ARG A 127 28.932 -18.994 -1.885 1.00 0.00 H new ATOM 0 HH11 ARG A 127 29.215 -17.017 1.045 1.00 0.00 H new ATOM 0 HH12 ARG A 127 27.768 -17.700 1.793 1.00 0.00 H new ATOM 0 HH21 ARG A 127 27.058 -19.880 -0.919 1.00 0.00 H new ATOM 0 HH22 ARG A 127 26.543 -19.326 0.677 1.00 0.00 H new ATOM 1588 N LYS A 128 32.442 -16.420 -3.344 1.00 0.00 N ATOM 1589 CA LYS A 128 33.579 -17.219 -3.770 1.00 0.00 C ATOM 1590 C LYS A 128 33.537 -18.577 -3.066 1.00 0.00 C ATOM 1591 O LYS A 128 33.446 -19.615 -3.718 1.00 0.00 O ATOM 1592 CB LYS A 128 34.884 -16.452 -3.549 1.00 0.00 C ATOM 1593 CG LYS A 128 36.097 -17.338 -3.838 1.00 0.00 C ATOM 1594 CD LYS A 128 36.468 -17.292 -5.322 1.00 0.00 C ATOM 1595 CE LYS A 128 37.023 -18.639 -5.791 1.00 0.00 C ATOM 1596 NZ LYS A 128 37.082 -18.689 -7.269 1.00 0.00 N ATOM 0 H LYS A 128 32.268 -16.428 -2.339 1.00 0.00 H new ATOM 0 HA LYS A 128 33.527 -17.414 -4.841 1.00 0.00 H new ATOM 0 HB2 LYS A 128 34.908 -15.575 -4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 128 34.929 -16.092 -2.521 1.00 0.00 H new ATOM 0 HG2 LYS A 128 36.944 -17.008 -3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 128 35.880 -18.365 -3.545 1.00 0.00 H new ATOM 0 HD2 LYS A 128 35.589 -17.031 -5.912 1.00 0.00 H new ATOM 0 HD3 LYS A 128 37.209 -16.511 -5.491 1.00 0.00 H new ATOM 0 HE2 LYS A 128 38.019 -18.793 -5.376 1.00 0.00 H new ATOM 0 HE3 LYS A 128 36.394 -19.448 -5.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 37.461 -19.609 -7.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 36.126 -18.563 -7.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 37.701 -17.929 -7.618 1.00 0.00 H new ATOM 1606 N TYR A 129 33.604 -18.524 -1.744 1.00 0.00 N ATOM 1607 CA TYR A 129 33.574 -19.737 -0.945 1.00 0.00 C ATOM 1608 C TYR A 129 34.658 -20.718 -1.396 1.00 0.00 C ATOM 1609 O TYR A 129 35.297 -20.511 -2.426 1.00 0.00 O ATOM 1610 CB TYR A 129 32.201 -20.367 -1.184 1.00 0.00 C ATOM 1611 CG TYR A 129 32.103 -21.830 -0.751 1.00 0.00 C ATOM 1612 CD1 TYR A 129 31.720 -22.144 0.537 1.00 0.00 C ATOM 1613 CD2 TYR A 129 32.398 -22.837 -1.648 1.00 0.00 C ATOM 1614 CE1 TYR A 129 31.628 -23.522 0.945 1.00 0.00 C ATOM 1615 CE2 TYR A 129 32.307 -24.215 -1.239 1.00 0.00 C ATOM 1616 CZ TYR A 129 31.926 -24.490 0.038 1.00 0.00 C ATOM 1617 OH TYR A 129 31.839 -25.791 0.423 1.00 0.00 O ATOM 0 H TYR A 129 33.679 -17.660 -1.206 1.00 0.00 H new ATOM 0 HA TYR A 129 33.751 -19.508 0.106 1.00 0.00 H new ATOM 0 HB2 TYR A 129 31.449 -19.789 -0.647 1.00 0.00 H new ATOM 0 HB3 TYR A 129 31.960 -20.296 -2.245 1.00 0.00 H new ATOM 0 HD1 TYR A 129 31.489 -21.356 1.239 1.00 0.00 H new ATOM 0 HD2 TYR A 129 32.697 -22.592 -2.656 1.00 0.00 H new ATOM 0 HE1 TYR A 129 31.329 -23.781 1.950 1.00 0.00 H new ATOM 0 HE2 TYR A 129 32.536 -25.012 -1.931 1.00 0.00 H new ATOM 0 HH TYR A 129 32.080 -26.371 -0.329 1.00 0.00 H new ATOM 1626 N ASP A 130 34.833 -21.763 -0.601 1.00 0.00 N ATOM 1627 CA ASP A 130 35.829 -22.777 -0.906 1.00 0.00 C ATOM 1628 C ASP A 130 35.905 -23.774 0.251 1.00 0.00 C ATOM 1629 O ASP A 130 35.378 -23.518 1.332 1.00 0.00 O ATOM 1630 CB ASP A 130 37.213 -22.152 -1.084 1.00 0.00 C ATOM 1631 CG ASP A 130 37.537 -21.010 -0.120 1.00 0.00 C ATOM 1632 OD1 ASP A 130 37.314 -21.212 1.093 1.00 0.00 O ATOM 1633 OD2 ASP A 130 37.999 -19.960 -0.617 1.00 0.00 O ATOM 0 H ASP A 130 34.302 -21.930 0.254 1.00 0.00 H new ATOM 0 HA ASP A 130 35.535 -23.272 -1.832 1.00 0.00 H new ATOM 0 HB2 ASP A 130 37.965 -22.932 -0.965 1.00 0.00 H new ATOM 0 HB3 ASP A 130 37.298 -21.780 -2.105 1.00 0.00 H new ATOM 1637 N LEU A 131 36.566 -24.891 -0.015 1.00 0.00 N ATOM 1638 CA LEU A 131 36.720 -25.929 0.990 1.00 0.00 C ATOM 1639 C LEU A 131 37.715 -26.976 0.489 1.00 0.00 C ATOM 1640 O LEU A 131 38.224 -26.872 -0.626 1.00 0.00 O ATOM 1641 CB LEU A 131 35.356 -26.509 1.373 1.00 0.00 C ATOM 1642 CG LEU A 131 35.177 -26.887 2.845 1.00 0.00 C ATOM 1643 CD1 LEU A 131 34.478 -25.768 3.617 1.00 0.00 C ATOM 1644 CD2 LEU A 131 34.445 -28.223 2.983 1.00 0.00 C ATOM 0 H LEU A 131 37.002 -25.100 -0.913 1.00 0.00 H new ATOM 0 HA LEU A 131 37.133 -25.512 1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 131 34.587 -25.783 1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 131 35.178 -27.397 0.766 1.00 0.00 H new ATOM 0 HG LEU A 131 36.165 -27.014 3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 131 34.363 -26.062 4.660 1.00 0.00 H new ATOM 0 HD12 LEU A 131 35.076 -24.858 3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 131 33.496 -25.584 3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 131 34.331 -28.468 4.039 1.00 0.00 H new ATOM 0 HD22 LEU A 131 33.461 -28.148 2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 131 35.020 -29.006 2.489 1.00 0.00 H new ATOM 1655 N HIS A 132 37.965 -27.962 1.338 1.00 0.00 N ATOM 1656 CA HIS A 132 38.892 -29.029 0.995 1.00 0.00 C ATOM 1657 C HIS A 132 40.296 -28.450 0.819 1.00 0.00 C ATOM 1658 O HIS A 132 40.503 -27.546 0.012 1.00 0.00 O ATOM 1659 CB HIS A 132 38.407 -29.794 -0.238 1.00 0.00 C ATOM 1660 CG HIS A 132 37.917 -31.191 0.059 1.00 0.00 C ATOM 1661 ND1 HIS A 132 38.753 -32.293 0.063 1.00 0.00 N ATOM 1662 CD2 HIS A 132 36.670 -31.653 0.364 1.00 0.00 C ATOM 1663 CE1 HIS A 132 38.031 -33.365 0.356 1.00 0.00 C ATOM 1664 NE2 HIS A 132 36.741 -32.965 0.542 1.00 0.00 N ATOM 0 H HIS A 132 37.542 -28.045 2.263 1.00 0.00 H new ATOM 0 HA HIS A 132 38.935 -29.755 1.807 1.00 0.00 H new ATOM 0 HB2 HIS A 132 37.602 -29.230 -0.709 1.00 0.00 H new ATOM 0 HB3 HIS A 132 39.221 -29.852 -0.961 1.00 0.00 H new ATOM 0 HD2 HIS A 132 35.777 -31.052 0.446 1.00 0.00 H new ATOM 0 HE1 HIS A 132 38.400 -34.377 0.434 1.00 0.00 H new ATOM 0 HE2 HIS A 132 35.959 -33.575 0.779 1.00 0.00 H new ATOM 1672 N TYR A 133 41.227 -28.997 1.589 1.00 0.00 N ATOM 1673 CA TYR A 133 42.607 -28.546 1.529 1.00 0.00 C ATOM 1674 C TYR A 133 43.263 -28.963 0.210 1.00 0.00 C ATOM 1675 O TYR A 133 42.607 -29.535 -0.659 1.00 0.00 O ATOM 1676 CB TYR A 133 43.328 -29.241 2.685 1.00 0.00 C ATOM 1677 CG TYR A 133 44.772 -28.777 2.887 1.00 0.00 C ATOM 1678 CD1 TYR A 133 45.739 -29.109 1.960 1.00 0.00 C ATOM 1679 CD2 TYR A 133 45.107 -28.028 3.996 1.00 0.00 C ATOM 1680 CE1 TYR A 133 47.098 -28.671 2.150 1.00 0.00 C ATOM 1681 CE2 TYR A 133 46.466 -27.590 4.186 1.00 0.00 C ATOM 1682 CZ TYR A 133 47.394 -27.935 3.254 1.00 0.00 C ATOM 1683 OH TYR A 133 48.679 -27.521 3.433 1.00 0.00 O ATOM 0 H TYR A 133 41.052 -29.748 2.257 1.00 0.00 H new ATOM 0 HA TYR A 133 42.659 -27.459 1.596 1.00 0.00 H new ATOM 0 HB2 TYR A 133 42.769 -29.067 3.605 1.00 0.00 H new ATOM 0 HB3 TYR A 133 43.324 -30.317 2.508 1.00 0.00 H new ATOM 0 HD1 TYR A 133 45.477 -29.697 1.093 1.00 0.00 H new ATOM 0 HD2 TYR A 133 44.350 -27.770 4.722 1.00 0.00 H new ATOM 0 HE1 TYR A 133 47.864 -28.922 1.432 1.00 0.00 H new ATOM 0 HE2 TYR A 133 46.741 -27.001 5.049 1.00 0.00 H new ATOM 0 HH TYR A 133 48.743 -27.004 4.263 1.00 0.00 H new TER 1692 TYR A 133