USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1094 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 24 HIS :FLIP no HD1:sc= 0.201 F(o=-2.1,f=-0.67) USER MOD Set 1.2: B 46 MET CE :methyl 158:sc= -0.866 (180deg=-2.55) USER MOD Set 2.1: B 7 LYS NZ :NH3+ 176:sc= 1.68 (180deg=1.08) USER MOD Set 2.2: B 43 ASN : amide:sc= 0.42 K(o=2.1,f=-5.4!) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.16 (180deg=-0.702) USER MOD Single : A 1 MET N :NH3+ -166:sc= 1.26 (180deg=0.927) USER MOD Single : A 3 MET CE :methyl -161:sc= -0.117 (180deg=-0.627) USER MOD Single : A 5 GLN : amide:sc= 0.984 K(o=0.98,f=-0.052) USER MOD Single : A 7 LYS NZ :NH3+ -172:sc= 1.19 (180deg=0.977) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.0269 K(o=-0.027,f=-1.1) USER MOD Single : A 13 LYS NZ :NH3+ -174:sc= 2.43 (180deg=2.25) USER MOD Single : A 14 LYS NZ :NH3+ 178:sc= 1.67 (180deg=1.45) USER MOD Single : A 15 LYS NZ :NH3+ -176:sc= 1.14 (180deg=1.12) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 28 HIS :FLIP no HD1:sc= -0.43 F(o=-1.3,f=-0.43) USER MOD Single : A 30 LYS NZ :NH3+ -153:sc= 2.34 (180deg=1.76) USER MOD Single : A 35 SER OG : rot -96:sc= 1.09 USER MOD Single : A 40 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0323) USER MOD Single : A 43 ASN :FLIP amide:sc=-0.00681 F(o=-1.1,f=-0.0068) USER MOD Single : A 44 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0872) USER MOD Single : A 46 MET CE :methyl 136:sc= -0.463 (180deg=-2.36!) USER MOD Single : A 47 ASN : amide:sc= -0.289 K(o=-0.29,f=-1) USER MOD Single : A 49 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0895) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.0142 X(o=-0.014,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.0769 X(o=-0.077,f=-0.031) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 1 MET CE :methyl -162:sc= -0.0935 (180deg=-0.49) USER MOD Single : B 1 MET N :NH3+ -121:sc= 0.0126 (180deg=-0.0246) USER MOD Single : B 3 MET CE :methyl 163:sc= -0.0594 (180deg=-0.383) USER MOD Single : B 5 GLN :FLIP amide:sc= -0.0989 F(o=-0.75,f=-0.099) USER MOD Single : B 8 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 ASN : amide:sc= 0.0449 X(o=0.045,f=0) USER MOD Single : B 13 LYS NZ :NH3+ -170:sc= 1.02 (180deg=0.873) USER MOD Single : B 14 LYS NZ :NH3+ 176:sc= 1.24 (180deg=1.07) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : B 24 HIS : no HD1:sc= 0 X(o=0,f=-0.077) USER MOD Single : B 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 30 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0298) USER MOD Single : B 35 SER OG : rot -4:sc= 1.2 USER MOD Single : B 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 ASN : amide:sc= -0.169 K(o=-0.17,f=-1) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 LYS NZ :NH3+ 170:sc= 1.06 (180deg=0.812) USER MOD Single : B 53 HIS : no HE2:sc= 0.914 K(o=0.91,f=-5.1!) USER MOD Single : B 54 LYS NZ :NH3+ 173:sc= -0.0125 (180deg=-0.0871) USER MOD Single : B 57 HIS : no HD1:sc= -0.466 X(o=-0.47,f=-0.47) USER MOD Single : B 58 HIS : no HD1:sc= -0.0456 X(o=-0.046,f=0) USER MOD Single : B 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 60 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.15) USER MOD Single : B 61 HIS : no HD1:sc= -0.42 X(o=-0.42,f=-0.049) USER MOD Single : B 62 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.217 -15.170 -1.432 1.00 0.00 N ATOM 2 CA MET A 1 19.515 -16.260 -2.134 1.00 0.00 C ATOM 3 C MET A 1 18.278 -16.628 -1.345 1.00 0.00 C ATOM 4 O MET A 1 17.177 -16.749 -1.887 1.00 0.00 O ATOM 5 CB MET A 1 20.400 -17.518 -2.215 1.00 0.00 C ATOM 6 CG MET A 1 21.753 -17.336 -2.878 1.00 0.00 C ATOM 7 SD MET A 1 22.725 -18.871 -2.898 1.00 0.00 S ATOM 8 CE MET A 1 22.904 -19.207 -1.131 1.00 0.00 C ATOM 0 H1 MET A 1 20.925 -14.748 -2.066 1.00 0.00 H new ATOM 0 H2 MET A 1 19.531 -14.443 -1.146 1.00 0.00 H new ATOM 0 H3 MET A 1 20.692 -15.550 -0.588 1.00 0.00 H new ATOM 0 HA MET A 1 19.267 -15.919 -3.139 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.560 -17.892 -1.204 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.853 -18.289 -2.757 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.610 -16.986 -3.900 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.312 -16.562 -2.352 1.00 0.00 H new ATOM 0 HE1 MET A 1 23.745 -19.883 -0.972 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.084 -18.273 -0.599 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.991 -19.669 -0.754 1.00 0.00 H new ATOM 20 N GLU A 2 18.491 -16.798 -0.060 1.00 0.00 N ATOM 21 CA GLU A 2 17.504 -17.200 0.907 1.00 0.00 C ATOM 22 C GLU A 2 16.362 -16.207 0.927 1.00 0.00 C ATOM 23 O GLU A 2 16.589 -14.983 0.870 1.00 0.00 O ATOM 24 CB GLU A 2 18.132 -17.268 2.319 1.00 0.00 C ATOM 25 CG GLU A 2 19.580 -17.784 2.380 1.00 0.00 C ATOM 26 CD GLU A 2 20.608 -16.702 2.059 1.00 0.00 C ATOM 27 OE1 GLU A 2 20.891 -16.439 0.865 1.00 0.00 O ATOM 28 OE2 GLU A 2 21.110 -16.071 2.984 1.00 0.00 O ATOM 0 H GLU A 2 19.410 -16.650 0.358 1.00 0.00 H new ATOM 0 HA GLU A 2 17.131 -18.185 0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 2 18.102 -16.271 2.758 1.00 0.00 H new ATOM 0 HB3 GLU A 2 17.510 -17.910 2.943 1.00 0.00 H new ATOM 0 HG2 GLU A 2 19.777 -18.182 3.375 1.00 0.00 H new ATOM 0 HG3 GLU A 2 19.697 -18.609 1.678 1.00 0.00 H new ATOM 35 N MET A 3 15.152 -16.716 1.040 1.00 0.00 N ATOM 36 CA MET A 3 13.961 -15.882 1.031 1.00 0.00 C ATOM 37 C MET A 3 13.908 -14.976 2.258 1.00 0.00 C ATOM 38 O MET A 3 13.251 -13.950 2.239 1.00 0.00 O ATOM 39 CB MET A 3 12.669 -16.715 0.893 1.00 0.00 C ATOM 40 CG MET A 3 12.403 -17.694 2.032 1.00 0.00 C ATOM 41 SD MET A 3 10.884 -18.655 1.803 1.00 0.00 S ATOM 42 CE MET A 3 9.653 -17.348 1.799 1.00 0.00 C ATOM 0 H MET A 3 14.964 -17.713 1.140 1.00 0.00 H new ATOM 0 HA MET A 3 14.026 -15.246 0.148 1.00 0.00 H new ATOM 0 HB2 MET A 3 11.822 -16.033 0.816 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.714 -17.274 -0.042 1.00 0.00 H new ATOM 0 HG2 MET A 3 13.248 -18.377 2.121 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.339 -17.142 2.970 1.00 0.00 H new ATOM 0 HE1 MET A 3 8.671 -17.773 2.005 1.00 0.00 H new ATOM 0 HE2 MET A 3 9.899 -16.614 2.566 1.00 0.00 H new ATOM 0 HE3 MET A 3 9.641 -16.863 0.823 1.00 0.00 H new ATOM 52 N GLY A 4 14.631 -15.354 3.304 1.00 0.00 N ATOM 53 CA GLY A 4 14.718 -14.544 4.500 1.00 0.00 C ATOM 54 C GLY A 4 15.357 -13.189 4.227 1.00 0.00 C ATOM 55 O GLY A 4 14.878 -12.158 4.713 1.00 0.00 O ATOM 0 H GLY A 4 15.166 -16.222 3.343 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.719 -14.397 4.912 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.300 -15.073 5.255 1.00 0.00 H new ATOM 59 N GLN A 5 16.423 -13.175 3.434 1.00 0.00 N ATOM 60 CA GLN A 5 17.076 -11.916 3.090 1.00 0.00 C ATOM 61 C GLN A 5 16.232 -11.122 2.110 1.00 0.00 C ATOM 62 O GLN A 5 16.179 -9.891 2.174 1.00 0.00 O ATOM 63 CB GLN A 5 18.511 -12.102 2.573 1.00 0.00 C ATOM 64 CG GLN A 5 19.501 -12.538 3.648 1.00 0.00 C ATOM 65 CD GLN A 5 20.943 -12.358 3.213 1.00 0.00 C ATOM 66 OE1 GLN A 5 21.515 -11.279 3.400 1.00 0.00 O ATOM 67 NE2 GLN A 5 21.571 -13.395 2.719 1.00 0.00 N ATOM 0 H GLN A 5 16.848 -14.006 3.023 1.00 0.00 H new ATOM 0 HA GLN A 5 17.162 -11.345 4.015 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.506 -12.844 1.774 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.854 -11.165 2.135 1.00 0.00 H new ATOM 0 HG2 GLN A 5 19.324 -11.962 4.556 1.00 0.00 H new ATOM 0 HG3 GLN A 5 19.327 -13.585 3.895 1.00 0.00 H new ATOM 0 HE21 GLN A 5 21.072 -14.273 2.576 1.00 0.00 H new ATOM 0 HE22 GLN A 5 22.559 -13.325 2.477 1.00 0.00 H new ATOM 76 N LEU A 6 15.535 -11.839 1.243 1.00 0.00 N ATOM 77 CA LEU A 6 14.607 -11.241 0.289 1.00 0.00 C ATOM 78 C LEU A 6 13.468 -10.549 1.063 1.00 0.00 C ATOM 79 O LEU A 6 13.096 -9.407 0.773 1.00 0.00 O ATOM 80 CB LEU A 6 14.094 -12.358 -0.686 1.00 0.00 C ATOM 81 CG LEU A 6 13.045 -12.007 -1.786 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.637 -11.877 -1.224 1.00 0.00 C ATOM 83 CD2 LEU A 6 13.445 -10.742 -2.540 1.00 0.00 C ATOM 0 H LEU A 6 15.595 -12.855 1.179 1.00 0.00 H new ATOM 0 HA LEU A 6 15.095 -10.478 -0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 6 14.966 -12.775 -1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.669 -13.153 -0.074 1.00 0.00 H new ATOM 0 HG LEU A 6 13.034 -12.841 -2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.945 -11.632 -2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.340 -12.820 -0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.616 -11.086 -0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.697 -10.520 -3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 6 13.511 -9.908 -1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.413 -10.893 -3.017 1.00 0.00 H new ATOM 95 N LYS A 7 12.963 -11.242 2.068 1.00 0.00 N ATOM 96 CA LYS A 7 11.906 -10.747 2.931 1.00 0.00 C ATOM 97 C LYS A 7 12.385 -9.512 3.679 1.00 0.00 C ATOM 98 O LYS A 7 11.632 -8.572 3.870 1.00 0.00 O ATOM 99 CB LYS A 7 11.491 -11.849 3.907 1.00 0.00 C ATOM 100 CG LYS A 7 9.994 -12.140 3.947 1.00 0.00 C ATOM 101 CD LYS A 7 9.170 -11.087 4.700 1.00 0.00 C ATOM 102 CE LYS A 7 9.528 -11.045 6.186 1.00 0.00 C ATOM 103 NZ LYS A 7 8.552 -10.264 6.977 1.00 0.00 N ATOM 0 H LYS A 7 13.281 -12.180 2.311 1.00 0.00 H new ATOM 0 HA LYS A 7 11.040 -10.467 2.331 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.018 -12.766 3.643 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.819 -11.570 4.908 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.622 -12.214 2.925 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.836 -13.112 4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.341 -10.106 4.257 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.108 -11.307 4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.576 -12.062 6.575 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.520 -10.610 6.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.905 -10.149 7.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.423 -9.328 6.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.641 -10.765 6.997 1.00 0.00 H new ATOM 117 N ASN A 8 13.653 -9.521 4.073 1.00 0.00 N ATOM 118 CA ASN A 8 14.270 -8.368 4.734 1.00 0.00 C ATOM 119 C ASN A 8 14.295 -7.166 3.813 1.00 0.00 C ATOM 120 O ASN A 8 14.034 -6.043 4.239 1.00 0.00 O ATOM 121 CB ASN A 8 15.689 -8.691 5.228 1.00 0.00 C ATOM 122 CG ASN A 8 16.438 -7.453 5.717 1.00 0.00 C ATOM 123 OD1 ASN A 8 16.288 -7.025 6.863 1.00 0.00 O ATOM 124 ND2 ASN A 8 17.293 -6.912 4.878 1.00 0.00 N ATOM 0 H ASN A 8 14.280 -10.316 3.947 1.00 0.00 H new ATOM 0 HA ASN A 8 13.658 -8.128 5.604 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.631 -9.419 6.037 1.00 0.00 H new ATOM 0 HB3 ASN A 8 16.253 -9.157 4.420 1.00 0.00 H new ATOM 0 HD21 ASN A 8 17.857 -6.113 5.169 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.393 -7.291 3.936 1.00 0.00 H new ATOM 131 N LYS A 9 14.603 -7.404 2.549 1.00 0.00 N ATOM 132 CA LYS A 9 14.612 -6.339 1.555 1.00 0.00 C ATOM 133 C LYS A 9 13.211 -5.791 1.348 1.00 0.00 C ATOM 134 O LYS A 9 13.036 -4.579 1.232 1.00 0.00 O ATOM 135 CB LYS A 9 15.231 -6.791 0.226 1.00 0.00 C ATOM 136 CG LYS A 9 16.707 -7.180 0.316 1.00 0.00 C ATOM 137 CD LYS A 9 17.585 -6.031 0.836 1.00 0.00 C ATOM 138 CE LYS A 9 17.565 -4.808 -0.087 1.00 0.00 C ATOM 139 NZ LYS A 9 18.391 -3.693 0.440 1.00 0.00 N ATOM 0 H LYS A 9 14.850 -8.324 2.185 1.00 0.00 H new ATOM 0 HA LYS A 9 15.244 -5.539 1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.666 -7.643 -0.153 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.123 -5.988 -0.503 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.813 -8.042 0.975 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.060 -7.486 -0.669 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.243 -5.738 1.828 1.00 0.00 H new ATOM 0 HD3 LYS A 9 18.611 -6.383 0.944 1.00 0.00 H new ATOM 0 HE2 LYS A 9 17.930 -5.094 -1.073 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.537 -4.468 -0.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 18.347 -2.888 -0.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.028 -3.401 1.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.378 -4.008 0.537 1.00 0.00 H new ATOM 153 N ILE A 10 12.217 -6.685 1.336 1.00 0.00 N ATOM 154 CA ILE A 10 10.811 -6.282 1.265 1.00 0.00 C ATOM 155 C ILE A 10 10.484 -5.418 2.470 1.00 0.00 C ATOM 156 O ILE A 10 9.966 -4.315 2.334 1.00 0.00 O ATOM 157 CB ILE A 10 9.841 -7.516 1.233 1.00 0.00 C ATOM 158 CG1 ILE A 10 10.056 -8.329 -0.045 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.375 -7.077 1.351 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.188 -9.561 -0.172 1.00 0.00 C ATOM 0 H ILE A 10 12.362 -7.694 1.375 1.00 0.00 H new ATOM 0 HA ILE A 10 10.668 -5.727 0.338 1.00 0.00 H new ATOM 0 HB ILE A 10 10.070 -8.146 2.093 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.872 -7.683 -0.904 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.102 -8.633 -0.093 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.729 -7.955 1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.229 -6.546 2.292 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.124 -6.418 0.520 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.413 -10.070 -1.109 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.386 -10.233 0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.138 -9.269 -0.161 1.00 0.00 H new ATOM 172 N GLU A 11 10.834 -5.915 3.640 1.00 0.00 N ATOM 173 CA GLU A 11 10.598 -5.210 4.879 1.00 0.00 C ATOM 174 C GLU A 11 11.229 -3.852 4.882 1.00 0.00 C ATOM 175 O GLU A 11 10.550 -2.867 5.116 1.00 0.00 O ATOM 176 CB GLU A 11 11.112 -5.991 6.077 1.00 0.00 C ATOM 177 CG GLU A 11 10.329 -7.229 6.394 1.00 0.00 C ATOM 178 CD GLU A 11 8.900 -6.919 6.706 1.00 0.00 C ATOM 179 OE1 GLU A 11 8.618 -5.878 7.336 1.00 0.00 O ATOM 180 OE2 GLU A 11 8.014 -7.718 6.346 1.00 0.00 O ATOM 0 H GLU A 11 11.290 -6.820 3.756 1.00 0.00 H new ATOM 0 HA GLU A 11 9.517 -5.099 4.958 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.150 -6.269 5.895 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.105 -5.339 6.950 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.376 -7.915 5.548 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.784 -7.739 7.243 1.00 0.00 H new ATOM 187 N ASN A 12 12.504 -3.802 4.577 1.00 0.00 N ATOM 188 CA ASN A 12 13.250 -2.573 4.663 1.00 0.00 C ATOM 189 C ASN A 12 12.776 -1.563 3.647 1.00 0.00 C ATOM 190 O ASN A 12 12.644 -0.401 3.963 1.00 0.00 O ATOM 191 CB ASN A 12 14.747 -2.802 4.497 1.00 0.00 C ATOM 192 CG ASN A 12 15.546 -1.575 4.901 1.00 0.00 C ATOM 193 OD1 ASN A 12 15.155 -0.838 5.808 1.00 0.00 O ATOM 194 ND2 ASN A 12 16.644 -1.348 4.253 1.00 0.00 N ATOM 0 H ASN A 12 13.048 -4.606 4.265 1.00 0.00 H new ATOM 0 HA ASN A 12 13.071 -2.176 5.662 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.055 -3.654 5.103 1.00 0.00 H new ATOM 0 HB3 ASN A 12 14.965 -3.054 3.459 1.00 0.00 H new ATOM 0 HD21 ASN A 12 17.216 -0.537 4.488 1.00 0.00 H new ATOM 0 HD22 ASN A 12 16.936 -1.980 3.508 1.00 0.00 H new ATOM 201 N LYS A 13 12.476 -2.013 2.436 1.00 0.00 N ATOM 202 CA LYS A 13 12.057 -1.107 1.392 1.00 0.00 C ATOM 203 C LYS A 13 10.681 -0.514 1.727 1.00 0.00 C ATOM 204 O LYS A 13 10.447 0.688 1.566 1.00 0.00 O ATOM 205 CB LYS A 13 12.039 -1.834 0.059 1.00 0.00 C ATOM 206 CG LYS A 13 12.004 -0.926 -1.148 1.00 0.00 C ATOM 207 CD LYS A 13 13.208 0.007 -1.199 1.00 0.00 C ATOM 208 CE LYS A 13 14.531 -0.733 -1.186 1.00 0.00 C ATOM 209 NZ LYS A 13 15.670 0.198 -1.310 1.00 0.00 N ATOM 0 H LYS A 13 12.517 -2.994 2.160 1.00 0.00 H new ATOM 0 HA LYS A 13 12.765 -0.282 1.320 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.922 -2.470 -0.006 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.170 -2.491 0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.976 -1.530 -2.055 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.088 -0.335 -1.130 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.149 0.619 -2.099 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.170 0.687 -0.348 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.623 -1.301 -0.260 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.556 -1.452 -2.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.553 -0.344 -1.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.541 0.793 -2.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.719 0.801 -0.464 1.00 0.00 H new ATOM 223 N LYS A 14 9.799 -1.372 2.213 1.00 0.00 N ATOM 224 CA LYS A 14 8.492 -1.002 2.695 1.00 0.00 C ATOM 225 C LYS A 14 8.644 -0.025 3.863 1.00 0.00 C ATOM 226 O LYS A 14 7.977 0.988 3.915 1.00 0.00 O ATOM 227 CB LYS A 14 7.771 -2.276 3.151 1.00 0.00 C ATOM 228 CG LYS A 14 6.437 -2.064 3.856 1.00 0.00 C ATOM 229 CD LYS A 14 5.911 -3.364 4.460 1.00 0.00 C ATOM 230 CE LYS A 14 6.775 -3.844 5.600 1.00 0.00 C ATOM 231 NZ LYS A 14 6.339 -5.153 6.124 1.00 0.00 N ATOM 0 H LYS A 14 9.985 -2.373 2.282 1.00 0.00 H new ATOM 0 HA LYS A 14 7.913 -0.516 1.910 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.604 -2.909 2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.432 -2.825 3.821 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.554 -1.318 4.642 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.708 -1.670 3.148 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.892 -3.213 4.815 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.869 -4.132 3.688 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.809 -3.917 5.263 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.753 -3.108 6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.983 -5.455 6.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.374 -5.072 6.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.352 -5.856 5.357 1.00 0.00 H new ATOM 245 N LYS A 15 9.548 -0.340 4.774 1.00 0.00 N ATOM 246 CA LYS A 15 9.837 0.504 5.925 1.00 0.00 C ATOM 247 C LYS A 15 10.394 1.863 5.503 1.00 0.00 C ATOM 248 O LYS A 15 9.968 2.888 6.037 1.00 0.00 O ATOM 249 CB LYS A 15 10.731 -0.234 6.932 1.00 0.00 C ATOM 250 CG LYS A 15 9.969 -1.271 7.779 1.00 0.00 C ATOM 251 CD LYS A 15 10.911 -2.284 8.425 1.00 0.00 C ATOM 252 CE LYS A 15 10.237 -3.118 9.528 1.00 0.00 C ATOM 253 NZ LYS A 15 9.010 -3.850 9.088 1.00 0.00 N ATOM 0 H LYS A 15 10.106 -1.193 4.738 1.00 0.00 H new ATOM 0 HA LYS A 15 8.900 0.718 6.439 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.535 -0.735 6.394 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.197 0.495 7.595 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.400 -0.758 8.555 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.249 -1.795 7.150 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.297 -2.954 7.656 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.766 -1.757 8.848 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.958 -3.840 9.912 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.975 -2.459 10.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.581 -4.331 9.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.328 -3.175 8.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.266 -4.554 8.367 1.00 0.00 H new ATOM 267 N GLU A 16 11.299 1.869 4.511 1.00 0.00 N ATOM 268 CA GLU A 16 11.817 3.115 3.926 1.00 0.00 C ATOM 269 C GLU A 16 10.657 3.960 3.402 1.00 0.00 C ATOM 270 O GLU A 16 10.632 5.183 3.552 1.00 0.00 O ATOM 271 CB GLU A 16 12.785 2.853 2.745 1.00 0.00 C ATOM 272 CG GLU A 16 14.138 2.246 3.074 1.00 0.00 C ATOM 273 CD GLU A 16 15.047 2.273 1.856 1.00 0.00 C ATOM 274 OE1 GLU A 16 15.471 3.388 1.464 1.00 0.00 O ATOM 275 OE2 GLU A 16 15.316 1.216 1.232 1.00 0.00 O ATOM 0 H GLU A 16 11.688 1.022 4.097 1.00 0.00 H new ATOM 0 HA GLU A 16 12.361 3.632 4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.283 2.194 2.037 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.956 3.800 2.233 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.601 2.798 3.892 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.009 1.219 3.415 1.00 0.00 H new ATOM 282 N LEU A 17 9.699 3.284 2.805 1.00 0.00 N ATOM 283 CA LEU A 17 8.532 3.915 2.252 1.00 0.00 C ATOM 284 C LEU A 17 7.642 4.469 3.345 1.00 0.00 C ATOM 285 O LEU A 17 7.155 5.590 3.231 1.00 0.00 O ATOM 286 CB LEU A 17 7.788 2.926 1.315 1.00 0.00 C ATOM 287 CG LEU A 17 6.368 3.290 0.826 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.308 3.039 1.867 1.00 0.00 C ATOM 289 CD2 LEU A 17 6.305 4.694 0.251 1.00 0.00 C ATOM 0 H LEU A 17 9.714 2.270 2.692 1.00 0.00 H new ATOM 0 HA LEU A 17 8.839 4.769 1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.412 2.773 0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.724 1.968 1.830 1.00 0.00 H new ATOM 0 HG LEU A 17 6.141 2.609 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.332 3.313 1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.306 1.983 2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.518 3.639 2.752 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.288 4.906 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.595 5.414 1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.986 4.771 -0.597 1.00 0.00 H new ATOM 301 N ILE A 18 7.425 3.687 4.389 1.00 0.00 N ATOM 302 CA ILE A 18 6.570 4.106 5.495 1.00 0.00 C ATOM 303 C ILE A 18 7.096 5.403 6.079 1.00 0.00 C ATOM 304 O ILE A 18 6.342 6.302 6.378 1.00 0.00 O ATOM 305 CB ILE A 18 6.483 3.028 6.612 1.00 0.00 C ATOM 306 CG1 ILE A 18 5.919 1.731 6.033 1.00 0.00 C ATOM 307 CG2 ILE A 18 5.602 3.519 7.781 1.00 0.00 C ATOM 308 CD1 ILE A 18 6.048 0.535 6.943 1.00 0.00 C ATOM 0 H ILE A 18 7.828 2.756 4.497 1.00 0.00 H new ATOM 0 HA ILE A 18 5.565 4.250 5.099 1.00 0.00 H new ATOM 0 HB ILE A 18 7.486 2.843 6.998 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.865 1.881 5.797 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.429 1.515 5.094 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.556 2.748 8.550 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.031 4.428 8.203 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.596 3.728 7.416 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.623 -0.342 6.454 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.101 0.355 7.160 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.513 0.726 7.873 1.00 0.00 H new ATOM 320 N GLN A 19 8.407 5.488 6.176 1.00 0.00 N ATOM 321 CA GLN A 19 9.091 6.668 6.678 1.00 0.00 C ATOM 322 C GLN A 19 8.878 7.868 5.742 1.00 0.00 C ATOM 323 O GLN A 19 8.801 9.020 6.188 1.00 0.00 O ATOM 324 CB GLN A 19 10.569 6.376 6.846 1.00 0.00 C ATOM 325 CG GLN A 19 10.851 5.245 7.812 1.00 0.00 C ATOM 326 CD GLN A 19 12.322 4.993 7.994 1.00 0.00 C ATOM 327 OE1 GLN A 19 13.123 5.243 7.102 1.00 0.00 O ATOM 328 NE2 GLN A 19 12.685 4.469 9.133 1.00 0.00 N ATOM 0 H GLN A 19 9.037 4.733 5.906 1.00 0.00 H new ATOM 0 HA GLN A 19 8.670 6.926 7.650 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.996 6.129 5.874 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.073 7.277 7.196 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.404 5.478 8.778 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.372 4.335 7.450 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.987 4.276 9.851 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.667 4.253 9.305 1.00 0.00 H new ATOM 337 N LEU A 20 8.774 7.594 4.455 1.00 0.00 N ATOM 338 CA LEU A 20 8.505 8.623 3.471 1.00 0.00 C ATOM 339 C LEU A 20 7.072 9.113 3.599 1.00 0.00 C ATOM 340 O LEU A 20 6.829 10.323 3.673 1.00 0.00 O ATOM 341 CB LEU A 20 8.781 8.136 2.049 1.00 0.00 C ATOM 342 CG LEU A 20 10.229 7.790 1.721 1.00 0.00 C ATOM 343 CD1 LEU A 20 10.327 7.277 0.311 1.00 0.00 C ATOM 344 CD2 LEU A 20 11.124 9.004 1.895 1.00 0.00 C ATOM 0 H LEU A 20 8.873 6.657 4.065 1.00 0.00 H new ATOM 0 HA LEU A 20 9.183 9.454 3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.169 7.253 1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.447 8.906 1.353 1.00 0.00 H new ATOM 0 HG LEU A 20 10.563 7.014 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.365 7.032 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.712 6.383 0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.976 8.043 -0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.153 8.735 1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.792 9.799 1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.070 9.351 2.927 1.00 0.00 H new ATOM 356 N VAL A 21 6.111 8.181 3.637 1.00 0.00 N ATOM 357 CA VAL A 21 4.703 8.571 3.854 1.00 0.00 C ATOM 358 C VAL A 21 4.547 9.274 5.229 1.00 0.00 C ATOM 359 O VAL A 21 3.744 10.199 5.396 1.00 0.00 O ATOM 360 CB VAL A 21 3.750 7.349 3.791 1.00 0.00 C ATOM 361 CG1 VAL A 21 2.288 7.783 3.796 1.00 0.00 C ATOM 362 CG2 VAL A 21 4.050 6.504 2.578 1.00 0.00 C ATOM 0 H VAL A 21 6.269 7.180 3.525 1.00 0.00 H new ATOM 0 HA VAL A 21 4.430 9.258 3.053 1.00 0.00 H new ATOM 0 HB VAL A 21 3.921 6.747 4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.647 6.903 3.751 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.077 8.339 4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.094 8.418 2.931 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.371 5.652 2.551 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.917 7.102 1.676 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.079 6.147 2.629 1.00 0.00 H new ATOM 372 N ALA A 22 5.343 8.846 6.187 1.00 0.00 N ATOM 373 CA ALA A 22 5.342 9.410 7.523 1.00 0.00 C ATOM 374 C ALA A 22 5.840 10.854 7.535 1.00 0.00 C ATOM 375 O ALA A 22 5.179 11.738 8.112 1.00 0.00 O ATOM 376 CB ALA A 22 6.174 8.557 8.460 1.00 0.00 C ATOM 0 H ALA A 22 6.016 8.090 6.060 1.00 0.00 H new ATOM 0 HA ALA A 22 4.309 9.417 7.871 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.162 8.995 9.458 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.759 7.550 8.501 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.200 8.512 8.096 1.00 0.00 H new ATOM 382 N ARG A 23 6.981 11.110 6.875 1.00 0.00 N ATOM 383 CA ARG A 23 7.583 12.454 6.840 1.00 0.00 C ATOM 384 C ARG A 23 6.718 13.432 6.063 1.00 0.00 C ATOM 385 O ARG A 23 6.854 14.649 6.211 1.00 0.00 O ATOM 386 CB ARG A 23 9.016 12.439 6.300 1.00 0.00 C ATOM 387 CG ARG A 23 9.139 12.019 4.855 1.00 0.00 C ATOM 388 CD ARG A 23 10.584 11.912 4.430 1.00 0.00 C ATOM 389 NE ARG A 23 11.316 10.904 5.208 1.00 0.00 N ATOM 390 CZ ARG A 23 12.566 10.503 4.953 1.00 0.00 C ATOM 391 NH1 ARG A 23 13.237 10.998 3.905 1.00 0.00 N ATOM 392 NH2 ARG A 23 13.142 9.602 5.739 1.00 0.00 N ATOM 0 H ARG A 23 7.506 10.404 6.358 1.00 0.00 H new ATOM 0 HA ARG A 23 7.635 12.797 7.873 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.443 13.435 6.413 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.614 11.765 6.913 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.644 11.058 4.711 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.625 12.741 4.220 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.632 11.657 3.371 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.068 12.881 4.547 1.00 0.00 H new ATOM 0 HE ARG A 23 10.836 10.479 6.001 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.795 11.686 3.295 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.190 10.687 3.717 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.631 9.218 6.534 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.095 9.293 5.548 1.00 0.00 H new ATOM 406 N HIS A 24 5.834 12.880 5.232 1.00 0.00 N ATOM 407 CA HIS A 24 4.838 13.653 4.498 1.00 0.00 C ATOM 408 C HIS A 24 3.958 14.445 5.479 1.00 0.00 C ATOM 409 O HIS A 24 3.451 15.519 5.155 1.00 0.00 O ATOM 410 CB HIS A 24 3.970 12.707 3.637 1.00 0.00 C ATOM 411 CG HIS A 24 2.793 13.362 2.975 1.00 0.00 C ATOM 412 ND1 HIS A 24 2.737 14.209 1.926 1.00 0.00 N flip ATOM 413 CD2 HIS A 24 1.497 13.193 3.396 1.00 0.00 C flip ATOM 414 CE1 HIS A 24 1.417 14.564 1.702 1.00 0.00 C flip ATOM 415 NE2 HIS A 24 0.714 13.923 2.616 1.00 0.00 N flip ATOM 0 H HIS A 24 5.790 11.877 5.050 1.00 0.00 H new ATOM 0 HA HIS A 24 5.346 14.358 3.840 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.599 12.259 2.868 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.609 11.894 4.267 1.00 0.00 H new ATOM 0 HD2 HIS A 24 1.173 12.573 4.219 1.00 0.00 H new ATOM 0 HE1 HIS A 24 1.041 15.228 0.938 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -0.300 13.982 2.710 1.00 0.00 H new ATOM 423 N GLY A 25 3.788 13.911 6.666 1.00 0.00 N ATOM 424 CA GLY A 25 3.029 14.607 7.660 1.00 0.00 C ATOM 425 C GLY A 25 1.988 13.755 8.313 1.00 0.00 C ATOM 426 O GLY A 25 0.874 14.217 8.556 1.00 0.00 O ATOM 0 H GLY A 25 4.162 13.008 6.958 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.707 14.989 8.423 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.547 15.470 7.201 1.00 0.00 H new ATOM 430 N LEU A 26 2.325 12.516 8.586 1.00 0.00 N ATOM 431 CA LEU A 26 1.409 11.641 9.271 1.00 0.00 C ATOM 432 C LEU A 26 1.670 11.638 10.737 1.00 0.00 C ATOM 433 O LEU A 26 2.815 11.777 11.177 1.00 0.00 O ATOM 434 CB LEU A 26 1.463 10.199 8.765 1.00 0.00 C ATOM 435 CG LEU A 26 0.865 9.913 7.406 1.00 0.00 C ATOM 436 CD1 LEU A 26 0.831 8.424 7.111 1.00 0.00 C ATOM 437 CD2 LEU A 26 -0.497 10.565 7.203 1.00 0.00 C ATOM 0 H LEU A 26 3.222 12.095 8.345 1.00 0.00 H new ATOM 0 HA LEU A 26 0.415 12.037 9.062 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.508 9.889 8.745 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.957 9.567 9.495 1.00 0.00 H new ATOM 0 HG LEU A 26 1.530 10.377 6.677 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.395 8.258 6.126 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.846 8.026 7.130 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.228 7.917 7.865 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.872 10.322 6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.194 10.194 7.955 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.401 11.646 7.300 1.00 0.00 H new ATOM 449 N ASP A 27 0.611 11.473 11.482 1.00 0.00 N ATOM 450 CA ASP A 27 0.685 11.343 12.930 1.00 0.00 C ATOM 451 C ASP A 27 1.248 9.987 13.232 1.00 0.00 C ATOM 452 O ASP A 27 1.287 9.123 12.346 1.00 0.00 O ATOM 453 CB ASP A 27 -0.701 11.372 13.587 1.00 0.00 C ATOM 454 CG ASP A 27 -1.536 12.579 13.300 1.00 0.00 C ATOM 455 OD1 ASP A 27 -1.454 13.555 14.059 1.00 0.00 O ATOM 456 OD2 ASP A 27 -2.353 12.533 12.359 1.00 0.00 O ATOM 0 H ASP A 27 -0.337 11.423 11.109 1.00 0.00 H new ATOM 0 HA ASP A 27 1.286 12.170 13.309 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.252 10.488 13.266 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.572 11.292 14.666 1.00 0.00 H new ATOM 461 N HIS A 28 1.619 9.767 14.468 1.00 0.00 N ATOM 462 CA HIS A 28 2.104 8.472 14.904 1.00 0.00 C ATOM 463 C HIS A 28 1.028 7.411 14.635 1.00 0.00 C ATOM 464 O HIS A 28 1.319 6.349 14.097 1.00 0.00 O ATOM 465 CB HIS A 28 2.477 8.528 16.396 1.00 0.00 C ATOM 466 CG HIS A 28 3.028 7.250 16.965 1.00 0.00 C ATOM 467 ND1 HIS A 28 4.113 6.529 16.604 1.00 0.00 N flip ATOM 468 CD2 HIS A 28 2.487 6.598 18.052 1.00 0.00 C flip ATOM 469 CE1 HIS A 28 4.243 5.442 17.463 1.00 0.00 C flip ATOM 470 NE2 HIS A 28 3.237 5.535 18.317 1.00 0.00 N flip ATOM 0 H HIS A 28 1.595 10.475 15.202 1.00 0.00 H new ATOM 0 HA HIS A 28 3.001 8.203 14.346 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.213 9.319 16.541 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.591 8.809 16.966 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.604 6.900 18.595 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.008 4.680 17.438 1.00 0.00 H new ATOM 0 HE2 HIS A 28 3.061 4.878 19.077 1.00 0.00 H new ATOM 478 N ASP A 29 -0.226 7.759 14.941 1.00 0.00 N ATOM 479 CA ASP A 29 -1.360 6.873 14.707 1.00 0.00 C ATOM 480 C ASP A 29 -1.521 6.570 13.228 1.00 0.00 C ATOM 481 O ASP A 29 -1.765 5.438 12.852 1.00 0.00 O ATOM 482 CB ASP A 29 -2.690 7.417 15.315 1.00 0.00 C ATOM 483 CG ASP A 29 -3.163 8.785 14.802 1.00 0.00 C ATOM 484 OD1 ASP A 29 -3.786 8.864 13.729 1.00 0.00 O ATOM 485 OD2 ASP A 29 -2.946 9.817 15.507 1.00 0.00 O ATOM 0 H ASP A 29 -0.478 8.657 15.355 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.138 5.942 15.229 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.477 6.688 15.122 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.571 7.480 16.397 1.00 0.00 H new ATOM 490 N LYS A 30 -1.320 7.577 12.401 1.00 0.00 N ATOM 491 CA LYS A 30 -1.429 7.434 10.949 1.00 0.00 C ATOM 492 C LYS A 30 -0.374 6.478 10.414 1.00 0.00 C ATOM 493 O LYS A 30 -0.687 5.588 9.635 1.00 0.00 O ATOM 494 CB LYS A 30 -1.292 8.783 10.247 1.00 0.00 C ATOM 495 CG LYS A 30 -2.348 9.810 10.589 1.00 0.00 C ATOM 496 CD LYS A 30 -3.756 9.316 10.359 1.00 0.00 C ATOM 497 CE LYS A 30 -4.756 10.398 10.726 1.00 0.00 C ATOM 498 NZ LYS A 30 -4.544 10.904 12.108 1.00 0.00 N ATOM 0 H LYS A 30 -1.077 8.519 12.708 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.418 7.027 10.740 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.314 9.200 10.488 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.310 8.615 9.170 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.238 10.100 11.634 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.182 10.705 9.990 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.884 9.031 9.315 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.939 8.423 10.957 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.672 11.224 10.020 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.768 10.003 10.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.443 11.263 12.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.197 10.131 12.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.843 11.672 12.093 1.00 0.00 H new ATOM 512 N VAL A 31 0.874 6.670 10.847 1.00 0.00 N ATOM 513 CA VAL A 31 1.981 5.821 10.451 1.00 0.00 C ATOM 514 C VAL A 31 1.700 4.377 10.854 1.00 0.00 C ATOM 515 O VAL A 31 1.925 3.462 10.073 1.00 0.00 O ATOM 516 CB VAL A 31 3.321 6.299 11.094 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.490 5.425 10.668 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.596 7.748 10.742 1.00 0.00 C ATOM 0 H VAL A 31 1.138 7.422 11.483 1.00 0.00 H new ATOM 0 HA VAL A 31 2.083 5.884 9.368 1.00 0.00 H new ATOM 0 HB VAL A 31 3.213 6.212 12.175 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.405 5.788 11.135 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.307 4.396 10.979 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.596 5.463 9.584 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.534 8.062 11.200 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.668 7.852 9.659 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.784 8.373 11.114 1.00 0.00 H new ATOM 528 N LEU A 32 1.174 4.189 12.054 1.00 0.00 N ATOM 529 CA LEU A 32 0.856 2.859 12.562 1.00 0.00 C ATOM 530 C LEU A 32 -0.249 2.213 11.757 1.00 0.00 C ATOM 531 O LEU A 32 -0.119 1.064 11.346 1.00 0.00 O ATOM 532 CB LEU A 32 0.492 2.907 14.043 1.00 0.00 C ATOM 533 CG LEU A 32 1.563 3.493 14.963 1.00 0.00 C ATOM 534 CD1 LEU A 32 1.132 3.420 16.400 1.00 0.00 C ATOM 535 CD2 LEU A 32 2.911 2.817 14.759 1.00 0.00 C ATOM 0 H LEU A 32 0.956 4.947 12.701 1.00 0.00 H new ATOM 0 HA LEU A 32 1.750 2.245 12.455 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.420 3.492 14.157 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.265 1.895 14.377 1.00 0.00 H new ATOM 0 HG LEU A 32 1.685 4.543 14.698 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.910 3.843 17.035 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.209 3.985 16.532 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.963 2.379 16.677 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.646 3.261 15.431 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.820 1.752 14.973 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.234 2.953 13.727 1.00 0.00 H new ATOM 547 N LEU A 33 -1.312 2.960 11.504 1.00 0.00 N ATOM 548 CA LEU A 33 -2.432 2.467 10.708 1.00 0.00 C ATOM 549 C LEU A 33 -1.967 2.112 9.309 1.00 0.00 C ATOM 550 O LEU A 33 -2.273 1.034 8.803 1.00 0.00 O ATOM 551 CB LEU A 33 -3.556 3.502 10.635 1.00 0.00 C ATOM 552 CG LEU A 33 -4.257 3.859 11.950 1.00 0.00 C ATOM 553 CD1 LEU A 33 -5.194 5.039 11.748 1.00 0.00 C ATOM 554 CD2 LEU A 33 -5.033 2.663 12.485 1.00 0.00 C ATOM 0 H LEU A 33 -1.426 3.917 11.840 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.821 1.573 11.195 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.146 4.418 10.210 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.309 3.136 9.938 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.495 4.135 12.679 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.684 5.280 12.691 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.624 5.902 11.405 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.947 4.782 11.003 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.524 2.936 13.419 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.784 2.361 11.755 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.347 1.835 12.664 1.00 0.00 H new ATOM 566 N PHE A 34 -1.199 3.005 8.710 1.00 0.00 N ATOM 567 CA PHE A 34 -0.673 2.802 7.383 1.00 0.00 C ATOM 568 C PHE A 34 0.236 1.580 7.334 1.00 0.00 C ATOM 569 O PHE A 34 0.011 0.681 6.542 1.00 0.00 O ATOM 570 CB PHE A 34 0.071 4.057 6.883 1.00 0.00 C ATOM 571 CG PHE A 34 0.708 3.881 5.535 1.00 0.00 C ATOM 572 CD1 PHE A 34 -0.065 3.869 4.387 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.080 3.700 5.418 1.00 0.00 C ATOM 574 CE1 PHE A 34 0.515 3.682 3.153 1.00 0.00 C ATOM 575 CE2 PHE A 34 2.657 3.508 4.185 1.00 0.00 C ATOM 576 CZ PHE A 34 1.876 3.500 3.058 1.00 0.00 C ATOM 0 H PHE A 34 -0.925 3.891 9.136 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.517 2.622 6.717 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.630 4.891 6.838 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.840 4.326 7.607 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.134 4.008 4.460 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.699 3.710 6.303 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.096 3.678 2.262 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.724 3.364 4.104 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.331 3.350 2.090 1.00 0.00 H new ATOM 586 N SER A 35 1.223 1.534 8.215 1.00 0.00 N ATOM 587 CA SER A 35 2.201 0.462 8.218 1.00 0.00 C ATOM 588 C SER A 35 1.574 -0.911 8.420 1.00 0.00 C ATOM 589 O SER A 35 1.937 -1.857 7.733 1.00 0.00 O ATOM 590 CB SER A 35 3.305 0.729 9.244 1.00 0.00 C ATOM 591 OG SER A 35 2.768 0.997 10.528 1.00 0.00 O ATOM 0 H SER A 35 1.367 2.234 8.943 1.00 0.00 H new ATOM 0 HA SER A 35 2.652 0.448 7.226 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.968 -0.134 9.299 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.909 1.575 8.918 1.00 0.00 H new ATOM 0 HG SER A 35 2.707 1.966 10.661 1.00 0.00 H new ATOM 597 N ARG A 36 0.607 -1.011 9.324 1.00 0.00 N ATOM 598 CA ARG A 36 -0.014 -2.293 9.595 1.00 0.00 C ATOM 599 C ARG A 36 -0.922 -2.733 8.448 1.00 0.00 C ATOM 600 O ARG A 36 -0.959 -3.917 8.101 1.00 0.00 O ATOM 601 CB ARG A 36 -0.755 -2.294 10.938 1.00 0.00 C ATOM 602 CG ARG A 36 -1.942 -1.359 11.028 1.00 0.00 C ATOM 603 CD ARG A 36 -2.472 -1.273 12.445 1.00 0.00 C ATOM 604 NE ARG A 36 -2.916 -2.586 12.963 1.00 0.00 N ATOM 605 CZ ARG A 36 -3.643 -2.769 14.071 1.00 0.00 C ATOM 606 NH1 ARG A 36 -3.989 -1.734 14.820 1.00 0.00 N ATOM 607 NH2 ARG A 36 -4.014 -3.999 14.432 1.00 0.00 N ATOM 0 H ARG A 36 0.243 -0.231 9.872 1.00 0.00 H new ATOM 0 HA ARG A 36 0.787 -3.028 9.672 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.097 -3.308 11.144 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.047 -2.031 11.724 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.651 -0.366 10.686 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.732 -1.707 10.363 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.695 -0.872 13.097 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.307 -0.572 12.476 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.647 -3.416 12.434 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.701 -0.793 14.553 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.543 -1.878 15.664 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.743 -4.801 13.863 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.568 -4.137 15.277 1.00 0.00 H new ATOM 621 N ASP A 37 -1.616 -1.779 7.834 1.00 0.00 N ATOM 622 CA ASP A 37 -2.518 -2.093 6.724 1.00 0.00 C ATOM 623 C ASP A 37 -1.684 -2.484 5.512 1.00 0.00 C ATOM 624 O ASP A 37 -1.991 -3.449 4.801 1.00 0.00 O ATOM 625 CB ASP A 37 -3.404 -0.893 6.386 1.00 0.00 C ATOM 626 CG ASP A 37 -4.590 -1.266 5.529 1.00 0.00 C ATOM 627 OD1 ASP A 37 -5.653 -1.636 6.088 1.00 0.00 O ATOM 628 OD2 ASP A 37 -4.504 -1.202 4.301 1.00 0.00 O ATOM 0 H ASP A 37 -1.574 -0.790 8.081 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.168 -2.919 7.012 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.758 -0.437 7.310 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.808 -0.142 5.867 1.00 0.00 H new ATOM 633 N LEU A 38 -0.599 -1.744 5.328 1.00 0.00 N ATOM 634 CA LEU A 38 0.381 -1.971 4.277 1.00 0.00 C ATOM 635 C LEU A 38 1.032 -3.332 4.435 1.00 0.00 C ATOM 636 O LEU A 38 1.153 -4.088 3.472 1.00 0.00 O ATOM 637 CB LEU A 38 1.444 -0.863 4.331 1.00 0.00 C ATOM 638 CG LEU A 38 2.696 -1.037 3.475 1.00 0.00 C ATOM 639 CD1 LEU A 38 2.352 -1.178 2.018 1.00 0.00 C ATOM 640 CD2 LEU A 38 3.629 0.129 3.678 1.00 0.00 C ATOM 0 H LEU A 38 -0.371 -0.947 5.923 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.121 -1.949 3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.967 0.073 4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.760 -0.752 5.368 1.00 0.00 H new ATOM 0 HG LEU A 38 3.193 -1.954 3.791 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.267 -1.300 1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.714 -2.051 1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.825 -0.286 1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.519 -0.005 3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.125 1.052 3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.919 0.185 4.727 1.00 0.00 H new ATOM 652 N ASP A 39 1.446 -3.635 5.649 1.00 0.00 N ATOM 653 CA ASP A 39 2.092 -4.899 5.974 1.00 0.00 C ATOM 654 C ASP A 39 1.179 -6.049 5.597 1.00 0.00 C ATOM 655 O ASP A 39 1.571 -6.953 4.860 1.00 0.00 O ATOM 656 CB ASP A 39 2.416 -4.940 7.470 1.00 0.00 C ATOM 657 CG ASP A 39 3.201 -6.147 7.892 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.447 -6.138 7.738 1.00 0.00 O ATOM 659 OD2 ASP A 39 2.605 -7.099 8.425 1.00 0.00 O ATOM 0 H ASP A 39 1.344 -3.008 6.447 1.00 0.00 H new ATOM 0 HA ASP A 39 3.021 -4.991 5.411 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.977 -4.044 7.734 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.484 -4.910 8.034 1.00 0.00 H new ATOM 664 N LYS A 40 -0.062 -5.957 6.029 1.00 0.00 N ATOM 665 CA LYS A 40 -1.059 -6.965 5.729 1.00 0.00 C ATOM 666 C LYS A 40 -1.413 -7.033 4.241 1.00 0.00 C ATOM 667 O LYS A 40 -1.742 -8.105 3.730 1.00 0.00 O ATOM 668 CB LYS A 40 -2.301 -6.787 6.585 1.00 0.00 C ATOM 669 CG LYS A 40 -2.108 -7.226 8.027 1.00 0.00 C ATOM 670 CD LYS A 40 -3.360 -7.002 8.857 1.00 0.00 C ATOM 671 CE LYS A 40 -3.240 -7.642 10.235 1.00 0.00 C ATOM 672 NZ LYS A 40 -2.097 -7.116 11.016 1.00 0.00 N ATOM 0 H LYS A 40 -0.408 -5.183 6.597 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.608 -7.925 5.980 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.597 -5.738 6.569 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.120 -7.356 6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.839 -8.282 8.053 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.277 -6.675 8.467 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.539 -5.932 8.966 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.222 -7.418 8.336 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.162 -7.472 10.791 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.130 -8.720 10.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.133 -7.497 11.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.206 -7.403 10.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.149 -6.078 11.051 1.00 0.00 H new ATOM 686 N LEU A 41 -1.352 -5.904 3.550 1.00 0.00 N ATOM 687 CA LEU A 41 -1.583 -5.881 2.108 1.00 0.00 C ATOM 688 C LEU A 41 -0.479 -6.648 1.405 1.00 0.00 C ATOM 689 O LEU A 41 -0.729 -7.460 0.513 1.00 0.00 O ATOM 690 CB LEU A 41 -1.632 -4.443 1.576 1.00 0.00 C ATOM 691 CG LEU A 41 -1.756 -4.288 0.053 1.00 0.00 C ATOM 692 CD1 LEU A 41 -3.009 -4.979 -0.476 1.00 0.00 C ATOM 693 CD2 LEU A 41 -1.742 -2.820 -0.332 1.00 0.00 C ATOM 0 H LEU A 41 -1.145 -4.993 3.960 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.546 -6.350 1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.475 -3.934 2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.729 -3.926 1.901 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.896 -4.774 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.067 -4.850 -1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.966 -6.042 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.891 -4.539 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.831 -2.727 -1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.579 -2.311 0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.806 -2.367 -0.004 1.00 0.00 H new ATOM 705 N ILE A 42 0.725 -6.411 1.839 1.00 0.00 N ATOM 706 CA ILE A 42 1.871 -7.062 1.266 1.00 0.00 C ATOM 707 C ILE A 42 1.852 -8.537 1.571 1.00 0.00 C ATOM 708 O ILE A 42 1.984 -9.343 0.668 1.00 0.00 O ATOM 709 CB ILE A 42 3.190 -6.400 1.715 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.219 -4.983 1.167 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.409 -7.194 1.231 1.00 0.00 C ATOM 712 CD1 ILE A 42 4.407 -4.184 1.567 1.00 0.00 C ATOM 0 H ILE A 42 0.941 -5.764 2.597 1.00 0.00 H new ATOM 0 HA ILE A 42 1.816 -6.944 0.184 1.00 0.00 H new ATOM 0 HB ILE A 42 3.236 -6.384 2.804 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.179 -5.028 0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.320 -4.462 1.498 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.321 -6.700 1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.372 -8.203 1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.401 -7.245 0.142 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.340 -3.188 1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.441 -4.101 2.653 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.313 -4.676 1.212 1.00 0.00 H new ATOM 724 N ASN A 43 1.601 -8.883 2.831 1.00 0.00 N ATOM 725 CA ASN A 43 1.532 -10.290 3.251 1.00 0.00 C ATOM 726 C ASN A 43 0.454 -11.033 2.479 1.00 0.00 C ATOM 727 O ASN A 43 0.621 -12.197 2.144 1.00 0.00 O ATOM 728 CB ASN A 43 1.332 -10.476 4.778 1.00 0.00 C ATOM 729 CG ASN A 43 2.563 -10.136 5.645 1.00 0.00 C ATOM 730 OD1 ASN A 43 3.282 -9.088 5.323 1.00 0.00 O flip ATOM 731 ND2 ASN A 43 2.822 -10.797 6.654 1.00 0.00 N flip ATOM 0 H ASN A 43 1.441 -8.212 3.583 1.00 0.00 H new ATOM 0 HA ASN A 43 2.506 -10.719 3.016 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.498 -9.852 5.098 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.047 -11.511 4.968 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.253 -11.610 6.891 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.605 -10.531 7.251 1.00 0.00 H new ATOM 738 N LYS A 44 -0.621 -10.323 2.145 1.00 0.00 N ATOM 739 CA LYS A 44 -1.711 -10.859 1.333 1.00 0.00 C ATOM 740 C LYS A 44 -1.165 -11.344 -0.001 1.00 0.00 C ATOM 741 O LYS A 44 -1.421 -12.480 -0.431 1.00 0.00 O ATOM 742 CB LYS A 44 -2.741 -9.760 1.076 1.00 0.00 C ATOM 743 CG LYS A 44 -3.978 -10.204 0.301 1.00 0.00 C ATOM 744 CD LYS A 44 -4.860 -9.025 -0.072 1.00 0.00 C ATOM 745 CE LYS A 44 -5.314 -8.242 1.150 1.00 0.00 C ATOM 746 NZ LYS A 44 -6.038 -9.077 2.133 1.00 0.00 N ATOM 0 H LYS A 44 -0.761 -9.354 2.432 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.177 -11.689 1.863 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.059 -9.350 2.034 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.258 -8.951 0.528 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.672 -10.730 -0.603 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.550 -10.911 0.902 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.314 -8.363 -0.744 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.733 -9.384 -0.617 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.445 -7.794 1.632 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.959 -7.423 0.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.425 -8.471 2.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.815 -9.578 1.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.383 -9.769 2.549 1.00 0.00 H new ATOM 760 N PHE A 45 -0.382 -10.496 -0.635 1.00 0.00 N ATOM 761 CA PHE A 45 0.215 -10.828 -1.902 1.00 0.00 C ATOM 762 C PHE A 45 1.390 -11.791 -1.736 1.00 0.00 C ATOM 763 O PHE A 45 1.753 -12.508 -2.653 1.00 0.00 O ATOM 764 CB PHE A 45 0.575 -9.578 -2.705 1.00 0.00 C ATOM 765 CG PHE A 45 -0.639 -8.920 -3.309 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.381 -7.989 -2.601 1.00 0.00 C ATOM 767 CD2 PHE A 45 -1.045 -9.253 -4.591 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.504 -7.406 -3.159 1.00 0.00 C ATOM 769 CE2 PHE A 45 -2.165 -8.672 -5.153 1.00 0.00 C ATOM 770 CZ PHE A 45 -2.895 -7.748 -4.437 1.00 0.00 C ATOM 0 H PHE A 45 -0.146 -9.567 -0.287 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.533 -11.359 -2.490 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.087 -8.867 -2.057 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.273 -9.846 -3.498 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.079 -7.715 -1.601 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.478 -9.976 -5.158 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.075 -6.683 -2.595 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.469 -8.942 -6.154 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.771 -7.293 -4.875 1.00 0.00 H new ATOM 780 N MET A 46 1.930 -11.860 -0.524 1.00 0.00 N ATOM 781 CA MET A 46 3.000 -12.815 -0.190 1.00 0.00 C ATOM 782 C MET A 46 2.408 -14.207 0.043 1.00 0.00 C ATOM 783 O MET A 46 3.078 -15.113 0.531 1.00 0.00 O ATOM 784 CB MET A 46 3.798 -12.390 1.045 1.00 0.00 C ATOM 785 CG MET A 46 4.428 -11.011 0.952 1.00 0.00 C ATOM 786 SD MET A 46 5.681 -10.723 2.205 1.00 0.00 S ATOM 787 CE MET A 46 6.872 -11.955 1.695 1.00 0.00 C ATOM 0 H MET A 46 1.647 -11.264 0.254 1.00 0.00 H new ATOM 0 HA MET A 46 3.685 -12.834 -1.038 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.139 -12.415 1.913 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.585 -13.123 1.221 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.874 -10.888 -0.035 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.648 -10.255 1.046 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.874 -11.526 1.722 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.825 -12.809 2.371 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.645 -12.283 0.681 1.00 0.00 H new ATOM 797 N ASN A 47 1.137 -14.311 -0.287 1.00 0.00 N ATOM 798 CA ASN A 47 0.328 -15.531 -0.315 1.00 0.00 C ATOM 799 C ASN A 47 -0.222 -15.892 1.063 1.00 0.00 C ATOM 800 O ASN A 47 -0.726 -16.988 1.282 1.00 0.00 O ATOM 801 CB ASN A 47 1.059 -16.705 -1.018 1.00 0.00 C ATOM 802 CG ASN A 47 0.119 -17.758 -1.596 1.00 0.00 C ATOM 803 OD1 ASN A 47 -0.238 -18.745 -0.950 1.00 0.00 O ATOM 804 ND2 ASN A 47 -0.291 -17.556 -2.829 1.00 0.00 N ATOM 0 H ASN A 47 0.596 -13.492 -0.564 1.00 0.00 H new ATOM 0 HA ASN A 47 -0.546 -15.320 -0.932 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.680 -16.306 -1.820 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.730 -17.183 -0.304 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.920 -18.225 -3.273 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.020 -16.730 -3.341 1.00 0.00 H new ATOM 811 N VAL A 48 -0.162 -14.945 1.984 1.00 0.00 N ATOM 812 CA VAL A 48 -0.798 -15.113 3.278 1.00 0.00 C ATOM 813 C VAL A 48 -2.240 -14.787 3.066 1.00 0.00 C ATOM 814 O VAL A 48 -2.617 -13.632 2.823 1.00 0.00 O ATOM 815 CB VAL A 48 -0.222 -14.188 4.370 1.00 0.00 C ATOM 816 CG1 VAL A 48 -0.896 -14.445 5.716 1.00 0.00 C ATOM 817 CG2 VAL A 48 1.276 -14.354 4.486 1.00 0.00 C ATOM 0 H VAL A 48 0.319 -14.054 1.860 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.630 -16.130 3.633 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.429 -13.159 4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.472 -13.780 6.468 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.966 -14.258 5.629 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.732 -15.481 6.013 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.657 -13.691 5.263 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.509 -15.387 4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.745 -14.104 3.534 1.00 0.00 H new ATOM 827 N LYS A 49 -3.033 -15.780 3.109 1.00 0.00 N ATOM 828 CA LYS A 49 -4.383 -15.631 2.725 1.00 0.00 C ATOM 829 C LYS A 49 -5.332 -15.369 3.875 1.00 0.00 C ATOM 830 O LYS A 49 -5.779 -16.295 4.569 1.00 0.00 O ATOM 831 CB LYS A 49 -4.838 -16.807 1.875 1.00 0.00 C ATOM 832 CG LYS A 49 -4.052 -16.964 0.582 1.00 0.00 C ATOM 833 CD LYS A 49 -4.465 -18.211 -0.169 1.00 0.00 C ATOM 834 CE LYS A 49 -3.663 -18.391 -1.451 1.00 0.00 C ATOM 835 NZ LYS A 49 -3.900 -17.297 -2.431 1.00 0.00 N ATOM 0 H LYS A 49 -2.771 -16.719 3.410 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.422 -14.726 2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.748 -17.723 2.459 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.894 -16.684 1.636 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.209 -16.089 -0.049 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.986 -17.009 0.806 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.328 -19.083 0.471 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.527 -18.156 -0.409 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.601 -18.433 -1.208 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.924 -19.346 -1.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.440 -17.534 -3.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.922 -17.182 -2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.503 -16.409 -2.063 1.00 0.00 H new ATOM 849 N ASP A 50 -5.577 -14.110 4.113 1.00 0.00 N ATOM 850 CA ASP A 50 -6.647 -13.688 4.971 1.00 0.00 C ATOM 851 C ASP A 50 -7.750 -13.246 4.054 1.00 0.00 C ATOM 852 O ASP A 50 -7.950 -12.057 3.795 1.00 0.00 O ATOM 853 CB ASP A 50 -6.277 -12.553 5.953 1.00 0.00 C ATOM 854 CG ASP A 50 -5.294 -12.954 7.029 1.00 0.00 C ATOM 855 OD1 ASP A 50 -5.663 -13.754 7.931 1.00 0.00 O ATOM 856 OD2 ASP A 50 -4.147 -12.437 7.036 1.00 0.00 O ATOM 0 H ASP A 50 -5.035 -13.343 3.714 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.930 -14.518 5.619 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.858 -11.721 5.387 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.188 -12.188 6.428 1.00 0.00 H new ATOM 861 N LYS A 51 -8.423 -14.209 3.486 1.00 0.00 N ATOM 862 CA LYS A 51 -9.421 -13.945 2.478 1.00 0.00 C ATOM 863 C LYS A 51 -10.815 -13.983 3.072 1.00 0.00 C ATOM 864 O LYS A 51 -11.815 -14.171 2.384 1.00 0.00 O ATOM 865 CB LYS A 51 -9.237 -14.885 1.275 1.00 0.00 C ATOM 866 CG LYS A 51 -9.342 -16.362 1.588 1.00 0.00 C ATOM 867 CD LYS A 51 -8.854 -17.223 0.420 1.00 0.00 C ATOM 868 CE LYS A 51 -9.649 -17.008 -0.873 1.00 0.00 C ATOM 869 NZ LYS A 51 -11.055 -17.458 -0.769 1.00 0.00 N ATOM 0 H LYS A 51 -8.298 -15.197 3.706 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.287 -12.933 2.097 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.985 -14.636 0.522 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.261 -14.693 0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.754 -16.588 2.478 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.378 -16.613 1.818 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.803 -17.003 0.232 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.914 -18.274 0.704 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.630 -15.950 -1.133 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.161 -17.544 -1.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.542 -17.288 -1.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.079 -18.474 -0.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.534 -16.929 -0.013 1.00 0.00 H new ATOM 883 N VAL A 52 -10.857 -13.752 4.362 1.00 0.00 N ATOM 884 CA VAL A 52 -12.095 -13.632 5.099 1.00 0.00 C ATOM 885 C VAL A 52 -12.434 -12.156 5.283 1.00 0.00 C ATOM 886 O VAL A 52 -13.358 -11.792 6.014 1.00 0.00 O ATOM 887 CB VAL A 52 -12.024 -14.339 6.475 1.00 0.00 C ATOM 888 CG1 VAL A 52 -11.877 -15.832 6.284 1.00 0.00 C ATOM 889 CG2 VAL A 52 -10.868 -13.800 7.310 1.00 0.00 C ATOM 0 H VAL A 52 -10.023 -13.640 4.938 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.878 -14.125 4.524 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.952 -14.136 7.010 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.828 -16.320 7.257 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.734 -16.214 5.729 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.963 -16.039 5.728 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.842 -14.314 8.271 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -9.929 -13.968 6.783 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.005 -12.731 7.474 1.00 0.00 H new ATOM 899 N HIS A 53 -11.664 -11.314 4.623 1.00 0.00 N ATOM 900 CA HIS A 53 -11.897 -9.886 4.619 1.00 0.00 C ATOM 901 C HIS A 53 -12.867 -9.594 3.504 1.00 0.00 C ATOM 902 O HIS A 53 -12.488 -9.603 2.323 1.00 0.00 O ATOM 903 CB HIS A 53 -10.581 -9.092 4.445 1.00 0.00 C ATOM 904 CG HIS A 53 -9.652 -9.166 5.632 1.00 0.00 C ATOM 905 ND1 HIS A 53 -8.957 -8.089 6.139 1.00 0.00 N ATOM 906 CD2 HIS A 53 -9.316 -10.221 6.418 1.00 0.00 C ATOM 907 CE1 HIS A 53 -8.247 -8.511 7.188 1.00 0.00 C ATOM 908 NE2 HIS A 53 -8.433 -9.802 7.401 1.00 0.00 N ATOM 0 H HIS A 53 -10.856 -11.604 4.072 1.00 0.00 H new ATOM 0 HA HIS A 53 -12.312 -9.571 5.577 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.058 -9.466 3.565 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.823 -8.047 4.252 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -9.680 -11.230 6.296 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -7.605 -7.880 7.784 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -8.014 -10.372 8.136 1.00 0.00 H new ATOM 916 N LYS A 54 -14.116 -9.394 3.885 1.00 0.00 N ATOM 917 CA LYS A 54 -15.236 -9.277 2.967 1.00 0.00 C ATOM 918 C LYS A 54 -15.514 -10.604 2.317 1.00 0.00 C ATOM 919 O LYS A 54 -15.036 -10.906 1.222 1.00 0.00 O ATOM 920 CB LYS A 54 -15.088 -8.158 1.927 1.00 0.00 C ATOM 921 CG LYS A 54 -15.185 -6.768 2.501 1.00 0.00 C ATOM 922 CD LYS A 54 -16.585 -6.474 3.003 1.00 0.00 C ATOM 923 CE LYS A 54 -16.699 -5.046 3.489 1.00 0.00 C ATOM 924 NZ LYS A 54 -18.067 -4.728 3.934 1.00 0.00 N ATOM 0 H LYS A 54 -14.387 -9.306 4.865 1.00 0.00 H new ATOM 0 HA LYS A 54 -16.095 -8.982 3.569 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -14.126 -8.267 1.427 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -15.859 -8.280 1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -14.473 -6.660 3.319 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -14.909 -6.038 1.740 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -17.306 -6.648 2.204 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -16.836 -7.159 3.813 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -16.002 -4.885 4.312 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.409 -4.365 2.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -18.105 -3.741 4.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -18.729 -4.857 3.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -18.334 -5.361 4.715 1.00 0.00 H new ATOM 938 N LEU A 55 -16.205 -11.422 3.037 1.00 0.00 N ATOM 939 CA LEU A 55 -16.596 -12.703 2.537 1.00 0.00 C ATOM 940 C LEU A 55 -18.025 -12.610 2.058 1.00 0.00 C ATOM 941 O LEU A 55 -18.650 -11.542 2.214 1.00 0.00 O ATOM 942 CB LEU A 55 -16.388 -13.871 3.554 1.00 0.00 C ATOM 943 CG LEU A 55 -17.131 -13.830 4.911 1.00 0.00 C ATOM 944 CD1 LEU A 55 -17.069 -15.201 5.563 1.00 0.00 C ATOM 945 CD2 LEU A 55 -16.502 -12.820 5.861 1.00 0.00 C ATOM 0 H LEU A 55 -16.516 -11.225 3.988 1.00 0.00 H new ATOM 0 HA LEU A 55 -15.939 -12.959 1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -16.670 -14.797 3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -15.321 -13.936 3.766 1.00 0.00 H new ATOM 0 HG LEU A 55 -18.163 -13.537 4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -17.592 -15.173 6.519 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -17.542 -15.935 4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -16.028 -15.479 5.727 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -17.049 -12.818 6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.463 -13.092 6.045 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.543 -11.826 5.415 1.00 0.00 H new ATOM 957 N GLU A 56 -18.534 -13.709 1.511 1.00 0.00 N ATOM 958 CA GLU A 56 -19.844 -13.775 0.867 1.00 0.00 C ATOM 959 C GLU A 56 -19.774 -13.041 -0.465 1.00 0.00 C ATOM 960 O GLU A 56 -19.739 -11.811 -0.528 1.00 0.00 O ATOM 961 CB GLU A 56 -20.996 -13.253 1.757 1.00 0.00 C ATOM 962 CG GLU A 56 -22.366 -13.387 1.120 1.00 0.00 C ATOM 963 CD GLU A 56 -22.675 -14.814 0.762 1.00 0.00 C ATOM 964 OE1 GLU A 56 -23.208 -15.553 1.617 1.00 0.00 O ATOM 965 OE2 GLU A 56 -22.382 -15.234 -0.377 1.00 0.00 O ATOM 0 H GLU A 56 -18.037 -14.600 1.502 1.00 0.00 H new ATOM 0 HA GLU A 56 -20.084 -14.824 0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -20.989 -13.797 2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -20.815 -12.204 1.992 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -23.125 -13.011 1.806 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -22.413 -12.769 0.224 1.00 0.00 H new ATOM 972 N HIS A 57 -19.723 -13.803 -1.518 1.00 0.00 N ATOM 973 CA HIS A 57 -19.512 -13.258 -2.842 1.00 0.00 C ATOM 974 C HIS A 57 -20.822 -13.151 -3.613 1.00 0.00 C ATOM 975 O HIS A 57 -20.854 -12.634 -4.740 1.00 0.00 O ATOM 976 CB HIS A 57 -18.496 -14.125 -3.619 1.00 0.00 C ATOM 977 CG HIS A 57 -17.150 -14.264 -2.939 1.00 0.00 C ATOM 978 ND1 HIS A 57 -16.081 -13.433 -3.171 1.00 0.00 N ATOM 979 CD2 HIS A 57 -16.726 -15.161 -2.006 1.00 0.00 C ATOM 980 CE1 HIS A 57 -15.067 -13.828 -2.403 1.00 0.00 C ATOM 981 NE2 HIS A 57 -15.401 -14.881 -1.666 1.00 0.00 N ATOM 0 H HIS A 57 -19.825 -14.818 -1.492 1.00 0.00 H new ATOM 0 HA HIS A 57 -19.108 -12.251 -2.733 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -18.920 -15.118 -3.766 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -18.348 -13.692 -4.608 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -17.321 -15.963 -1.594 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -14.097 -13.353 -2.382 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -14.815 -15.379 -0.995 1.00 0.00 H new ATOM 989 N HIS A 58 -21.899 -13.641 -3.022 1.00 0.00 N ATOM 990 CA HIS A 58 -23.202 -13.597 -3.667 1.00 0.00 C ATOM 991 C HIS A 58 -23.762 -12.198 -3.517 1.00 0.00 C ATOM 992 O HIS A 58 -23.810 -11.655 -2.401 1.00 0.00 O ATOM 993 CB HIS A 58 -24.162 -14.640 -3.041 1.00 0.00 C ATOM 994 CG HIS A 58 -25.467 -14.840 -3.792 1.00 0.00 C ATOM 995 ND1 HIS A 58 -25.773 -15.983 -4.503 1.00 0.00 N ATOM 996 CD2 HIS A 58 -26.552 -14.027 -3.919 1.00 0.00 C ATOM 997 CE1 HIS A 58 -26.989 -15.836 -5.028 1.00 0.00 C ATOM 998 NE2 HIS A 58 -27.513 -14.660 -4.704 1.00 0.00 N ATOM 0 H HIS A 58 -21.898 -14.073 -2.098 1.00 0.00 H new ATOM 0 HA HIS A 58 -23.098 -13.843 -4.724 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -23.645 -15.597 -2.980 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -24.390 -14.335 -2.020 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -26.652 -13.045 -3.480 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -27.484 -16.577 -5.638 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -28.427 -14.296 -4.973 1.00 0.00 H new ATOM 1006 N HIS A 59 -24.168 -11.606 -4.608 1.00 0.00 N ATOM 1007 CA HIS A 59 -24.710 -10.275 -4.569 1.00 0.00 C ATOM 1008 C HIS A 59 -26.191 -10.285 -4.211 1.00 0.00 C ATOM 1009 O HIS A 59 -27.064 -10.340 -5.064 1.00 0.00 O ATOM 1010 CB HIS A 59 -24.367 -9.427 -5.833 1.00 0.00 C ATOM 1011 CG HIS A 59 -24.663 -10.042 -7.183 1.00 0.00 C ATOM 1012 ND1 HIS A 59 -23.685 -10.504 -8.040 1.00 0.00 N ATOM 1013 CD2 HIS A 59 -25.840 -10.212 -7.838 1.00 0.00 C ATOM 1014 CE1 HIS A 59 -24.278 -10.927 -9.157 1.00 0.00 C ATOM 1015 NE2 HIS A 59 -25.593 -10.771 -9.088 1.00 0.00 N ATOM 0 H HIS A 59 -24.133 -12.026 -5.537 1.00 0.00 H new ATOM 0 HA HIS A 59 -24.205 -9.751 -3.758 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -24.911 -8.485 -5.765 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -23.305 -9.185 -5.798 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -26.814 -9.954 -7.450 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -23.756 -11.342 -10.006 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -26.280 -11.011 -9.802 1.00 0.00 H new ATOM 1023 N HIS A 60 -26.453 -10.304 -2.926 1.00 0.00 N ATOM 1024 CA HIS A 60 -27.807 -10.338 -2.413 1.00 0.00 C ATOM 1025 C HIS A 60 -28.232 -8.936 -1.993 1.00 0.00 C ATOM 1026 O HIS A 60 -29.167 -8.363 -2.554 1.00 0.00 O ATOM 1027 CB HIS A 60 -27.893 -11.334 -1.229 1.00 0.00 C ATOM 1028 CG HIS A 60 -29.259 -11.475 -0.607 1.00 0.00 C ATOM 1029 ND1 HIS A 60 -29.523 -11.247 0.725 1.00 0.00 N ATOM 1030 CD2 HIS A 60 -30.439 -11.859 -1.158 1.00 0.00 C ATOM 1031 CE1 HIS A 60 -30.813 -11.493 0.943 1.00 0.00 C ATOM 1032 NE2 HIS A 60 -31.421 -11.867 -0.172 1.00 0.00 N ATOM 0 H HIS A 60 -25.734 -10.296 -2.203 1.00 0.00 H new ATOM 0 HA HIS A 60 -28.489 -10.680 -3.192 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -27.566 -12.314 -1.575 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -27.191 -11.018 -0.457 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -30.591 -12.117 -2.196 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -31.299 -11.400 1.903 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -32.405 -12.110 -0.285 1.00 0.00 H new ATOM 1040 N HIS A 61 -27.523 -8.390 -1.031 1.00 0.00 N ATOM 1041 CA HIS A 61 -27.793 -7.055 -0.531 1.00 0.00 C ATOM 1042 C HIS A 61 -26.805 -6.075 -1.165 1.00 0.00 C ATOM 1043 O HIS A 61 -27.108 -4.894 -1.385 1.00 0.00 O ATOM 1044 CB HIS A 61 -27.671 -7.043 1.007 1.00 0.00 C ATOM 1045 CG HIS A 61 -27.979 -5.723 1.652 1.00 0.00 C ATOM 1046 ND1 HIS A 61 -27.030 -4.919 2.245 1.00 0.00 N ATOM 1047 CD2 HIS A 61 -29.160 -5.077 1.797 1.00 0.00 C ATOM 1048 CE1 HIS A 61 -27.643 -3.839 2.721 1.00 0.00 C ATOM 1049 NE2 HIS A 61 -28.945 -3.883 2.476 1.00 0.00 N ATOM 0 H HIS A 61 -26.742 -8.857 -0.571 1.00 0.00 H new ATOM 0 HA HIS A 61 -28.806 -6.753 -0.795 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -28.343 -7.797 1.417 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -26.657 -7.337 1.279 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -30.116 -5.432 1.442 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -27.146 -3.032 3.239 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -29.644 -3.186 2.732 1.00 0.00 H new ATOM 1057 N HIS A 62 -25.640 -6.578 -1.455 1.00 0.00 N ATOM 1058 CA HIS A 62 -24.600 -5.836 -2.096 1.00 0.00 C ATOM 1059 C HIS A 62 -24.267 -6.578 -3.355 1.00 0.00 C ATOM 1060 O HIS A 62 -24.675 -6.128 -4.441 1.00 0.00 O ATOM 1061 CB HIS A 62 -23.367 -5.721 -1.175 1.00 0.00 C ATOM 1062 CG HIS A 62 -22.197 -4.968 -1.764 1.00 0.00 C ATOM 1063 ND1 HIS A 62 -22.116 -3.596 -1.832 1.00 0.00 N ATOM 1064 CD2 HIS A 62 -21.043 -5.433 -2.300 1.00 0.00 C ATOM 1065 CE1 HIS A 62 -20.948 -3.272 -2.390 1.00 0.00 C ATOM 1066 NE2 HIS A 62 -20.250 -4.353 -2.696 1.00 0.00 N ATOM 1067 OXT HIS A 62 -23.720 -7.666 -3.245 1.00 0.00 O ATOM 0 H HIS A 62 -25.383 -7.543 -1.245 1.00 0.00 H new ATOM 0 HA HIS A 62 -24.918 -4.817 -2.318 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -23.668 -5.229 -0.250 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -23.036 -6.725 -0.909 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -20.778 -6.475 -2.405 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -20.616 -2.260 -2.568 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -19.327 -4.390 -3.130 1.00 0.00 H new TER 1075 HIS A 62 ATOM 1076 N MET B 1 8.035 23.411 3.076 1.00 0.00 N ATOM 1077 CA MET B 1 8.358 22.016 2.788 1.00 0.00 C ATOM 1078 C MET B 1 7.873 21.677 1.408 1.00 0.00 C ATOM 1079 O MET B 1 6.796 22.117 1.004 1.00 0.00 O ATOM 1080 CB MET B 1 7.715 21.065 3.810 1.00 0.00 C ATOM 1081 CG MET B 1 8.226 21.223 5.231 1.00 0.00 C ATOM 1082 SD MET B 1 9.990 20.853 5.401 1.00 0.00 S ATOM 1083 CE MET B 1 10.030 19.111 4.944 1.00 0.00 C ATOM 0 H1 MET B 1 8.910 23.934 3.282 1.00 0.00 H new ATOM 0 H2 MET B 1 7.564 23.836 2.252 1.00 0.00 H new ATOM 0 H3 MET B 1 7.401 23.458 3.899 1.00 0.00 H new ATOM 0 HA MET B 1 9.439 21.892 2.852 1.00 0.00 H new ATOM 0 HB2 MET B 1 6.637 21.224 3.806 1.00 0.00 H new ATOM 0 HB3 MET B 1 7.887 20.038 3.488 1.00 0.00 H new ATOM 0 HG2 MET B 1 8.042 22.244 5.565 1.00 0.00 H new ATOM 0 HG3 MET B 1 7.658 20.565 5.889 1.00 0.00 H new ATOM 0 HE1 MET B 1 10.958 18.663 5.298 1.00 0.00 H new ATOM 0 HE2 MET B 1 9.183 18.596 5.397 1.00 0.00 H new ATOM 0 HE3 MET B 1 9.973 19.018 3.859 1.00 0.00 H new ATOM 1095 N GLU B 2 8.652 20.937 0.666 1.00 0.00 N ATOM 1096 CA GLU B 2 8.240 20.547 -0.654 1.00 0.00 C ATOM 1097 C GLU B 2 7.516 19.216 -0.610 1.00 0.00 C ATOM 1098 O GLU B 2 7.771 18.404 0.276 1.00 0.00 O ATOM 1099 CB GLU B 2 9.436 20.540 -1.636 1.00 0.00 C ATOM 1100 CG GLU B 2 10.595 19.562 -1.342 1.00 0.00 C ATOM 1101 CD GLU B 2 10.265 18.108 -1.631 1.00 0.00 C ATOM 1102 OE1 GLU B 2 9.567 17.846 -2.635 1.00 0.00 O ATOM 1103 OE2 GLU B 2 10.728 17.217 -0.875 1.00 0.00 O ATOM 0 H GLU B 2 9.569 20.594 0.951 1.00 0.00 H new ATOM 0 HA GLU B 2 7.535 21.287 -1.033 1.00 0.00 H new ATOM 0 HB2 GLU B 2 9.052 20.317 -2.632 1.00 0.00 H new ATOM 0 HB3 GLU B 2 9.848 21.549 -1.672 1.00 0.00 H new ATOM 0 HG2 GLU B 2 11.461 19.852 -1.936 1.00 0.00 H new ATOM 0 HG3 GLU B 2 10.881 19.658 -0.294 1.00 0.00 H new ATOM 1110 N MET B 3 6.581 19.014 -1.502 1.00 0.00 N ATOM 1111 CA MET B 3 5.920 17.726 -1.581 1.00 0.00 C ATOM 1112 C MET B 3 6.027 17.113 -2.964 1.00 0.00 C ATOM 1113 O MET B 3 5.636 15.959 -3.183 1.00 0.00 O ATOM 1114 CB MET B 3 4.468 17.776 -1.076 1.00 0.00 C ATOM 1115 CG MET B 3 3.542 18.753 -1.777 1.00 0.00 C ATOM 1116 SD MET B 3 3.079 18.310 -3.483 1.00 0.00 S ATOM 1117 CE MET B 3 2.164 16.784 -3.216 1.00 0.00 C ATOM 0 H MET B 3 6.260 19.709 -2.176 1.00 0.00 H new ATOM 0 HA MET B 3 6.456 17.063 -0.902 1.00 0.00 H new ATOM 0 HB2 MET B 3 4.041 16.777 -1.165 1.00 0.00 H new ATOM 0 HB3 MET B 3 4.484 18.022 -0.014 1.00 0.00 H new ATOM 0 HG2 MET B 3 2.631 18.851 -1.186 1.00 0.00 H new ATOM 0 HG3 MET B 3 4.020 19.733 -1.792 1.00 0.00 H new ATOM 0 HE1 MET B 3 1.570 16.556 -4.101 1.00 0.00 H new ATOM 0 HE2 MET B 3 2.863 15.969 -3.028 1.00 0.00 H new ATOM 0 HE3 MET B 3 1.504 16.901 -2.357 1.00 0.00 H new ATOM 1127 N GLY B 4 6.621 17.860 -3.875 1.00 0.00 N ATOM 1128 CA GLY B 4 6.711 17.428 -5.249 1.00 0.00 C ATOM 1129 C GLY B 4 7.725 16.336 -5.431 1.00 0.00 C ATOM 1130 O GLY B 4 7.446 15.308 -6.065 1.00 0.00 O ATOM 0 H GLY B 4 7.047 18.767 -3.685 1.00 0.00 H new ATOM 0 HA2 GLY B 4 5.735 17.075 -5.583 1.00 0.00 H new ATOM 0 HA3 GLY B 4 6.976 18.277 -5.879 1.00 0.00 H new ATOM 1134 N GLN B 5 8.879 16.518 -4.841 1.00 0.00 N ATOM 1135 CA GLN B 5 9.933 15.545 -4.930 1.00 0.00 C ATOM 1136 C GLN B 5 9.675 14.484 -3.901 1.00 0.00 C ATOM 1137 O GLN B 5 10.007 13.332 -4.102 1.00 0.00 O ATOM 1138 CB GLN B 5 11.300 16.194 -4.715 1.00 0.00 C ATOM 1139 CG GLN B 5 11.650 17.246 -5.764 1.00 0.00 C ATOM 1140 CD GLN B 5 11.765 16.694 -7.184 1.00 0.00 C ATOM 1141 OE1 GLN B 5 12.228 15.480 -7.330 1.00 0.00 O flip ATOM 1142 NE2 GLN B 5 11.462 17.385 -8.154 1.00 0.00 N flip ATOM 0 H GLN B 5 9.112 17.343 -4.288 1.00 0.00 H new ATOM 0 HA GLN B 5 9.945 15.103 -5.926 1.00 0.00 H new ATOM 0 HB2 GLN B 5 11.322 16.656 -3.728 1.00 0.00 H new ATOM 0 HB3 GLN B 5 12.066 15.418 -4.721 1.00 0.00 H new ATOM 0 HG2 GLN B 5 10.889 18.026 -5.749 1.00 0.00 H new ATOM 0 HG3 GLN B 5 12.594 17.717 -5.491 1.00 0.00 H new ATOM 0 HE21 GLN B 5 11.103 18.329 -8.015 1.00 0.00 H new ATOM 0 HE22 GLN B 5 11.570 17.014 -9.098 1.00 0.00 H new ATOM 1151 N LEU B 6 9.053 14.891 -2.801 1.00 0.00 N ATOM 1152 CA LEU B 6 8.625 13.974 -1.753 1.00 0.00 C ATOM 1153 C LEU B 6 7.721 12.874 -2.347 1.00 0.00 C ATOM 1154 O LEU B 6 7.938 11.688 -2.095 1.00 0.00 O ATOM 1155 CB LEU B 6 7.944 14.775 -0.605 1.00 0.00 C ATOM 1156 CG LEU B 6 7.442 14.021 0.659 1.00 0.00 C ATOM 1157 CD1 LEU B 6 6.112 13.340 0.417 1.00 0.00 C ATOM 1158 CD2 LEU B 6 8.472 13.009 1.148 1.00 0.00 C ATOM 0 H LEU B 6 8.831 15.868 -2.611 1.00 0.00 H new ATOM 0 HA LEU B 6 9.486 13.465 -1.320 1.00 0.00 H new ATOM 0 HB2 LEU B 6 8.651 15.535 -0.273 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.090 15.299 -1.034 1.00 0.00 H new ATOM 0 HG LEU B 6 7.299 14.771 1.437 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.797 12.825 1.324 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.365 14.086 0.145 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.215 12.618 -0.393 1.00 0.00 H new ATOM 0 HD21 LEU B 6 8.090 12.499 2.033 1.00 0.00 H new ATOM 0 HD22 LEU B 6 8.665 12.278 0.363 1.00 0.00 H new ATOM 0 HD23 LEU B 6 9.399 13.525 1.399 1.00 0.00 H new ATOM 1170 N LYS B 7 6.742 13.271 -3.161 1.00 0.00 N ATOM 1171 CA LYS B 7 5.881 12.303 -3.839 1.00 0.00 C ATOM 1172 C LYS B 7 6.677 11.402 -4.758 1.00 0.00 C ATOM 1173 O LYS B 7 6.434 10.210 -4.808 1.00 0.00 O ATOM 1174 CB LYS B 7 4.752 12.989 -4.613 1.00 0.00 C ATOM 1175 CG LYS B 7 3.385 12.827 -3.968 1.00 0.00 C ATOM 1176 CD LYS B 7 2.876 11.370 -4.031 1.00 0.00 C ATOM 1177 CE LYS B 7 2.319 11.004 -5.402 1.00 0.00 C ATOM 1178 NZ LYS B 7 1.709 9.640 -5.424 1.00 0.00 N ATOM 0 H LYS B 7 6.527 14.247 -3.365 1.00 0.00 H new ATOM 0 HA LYS B 7 5.429 11.687 -3.062 1.00 0.00 H new ATOM 0 HB2 LYS B 7 4.978 14.051 -4.703 1.00 0.00 H new ATOM 0 HB3 LYS B 7 4.718 12.583 -5.624 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.437 13.147 -2.927 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.670 13.481 -4.467 1.00 0.00 H new ATOM 0 HD2 LYS B 7 3.693 10.692 -3.782 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.101 11.226 -3.278 1.00 0.00 H new ATOM 0 HE2 LYS B 7 1.569 11.739 -5.694 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.119 11.053 -6.141 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 1.285 9.464 -6.357 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 2.444 8.928 -5.238 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 0.973 9.577 -4.692 1.00 0.00 H new ATOM 1192 N ASN B 8 7.653 11.975 -5.438 1.00 0.00 N ATOM 1193 CA ASN B 8 8.499 11.227 -6.370 1.00 0.00 C ATOM 1194 C ASN B 8 9.298 10.154 -5.617 1.00 0.00 C ATOM 1195 O ASN B 8 9.417 9.022 -6.078 1.00 0.00 O ATOM 1196 CB ASN B 8 9.464 12.171 -7.100 1.00 0.00 C ATOM 1197 CG ASN B 8 10.294 11.489 -8.183 1.00 0.00 C ATOM 1198 OD1 ASN B 8 9.831 10.573 -8.874 1.00 0.00 O ATOM 1199 ND2 ASN B 8 11.522 11.906 -8.319 1.00 0.00 N ATOM 0 H ASN B 8 7.886 12.965 -5.366 1.00 0.00 H new ATOM 0 HA ASN B 8 7.854 10.745 -7.105 1.00 0.00 H new ATOM 0 HB2 ASN B 8 8.892 12.982 -7.551 1.00 0.00 H new ATOM 0 HB3 ASN B 8 10.137 12.622 -6.371 1.00 0.00 H new ATOM 0 HD21 ASN B 8 12.133 11.474 -9.012 1.00 0.00 H new ATOM 0 HD22 ASN B 8 11.871 12.664 -7.732 1.00 0.00 H new ATOM 1206 N LYS B 9 9.821 10.531 -4.446 1.00 0.00 N ATOM 1207 CA LYS B 9 10.568 9.616 -3.570 1.00 0.00 C ATOM 1208 C LYS B 9 9.666 8.474 -3.144 1.00 0.00 C ATOM 1209 O LYS B 9 10.062 7.309 -3.181 1.00 0.00 O ATOM 1210 CB LYS B 9 11.062 10.356 -2.321 1.00 0.00 C ATOM 1211 CG LYS B 9 11.973 11.525 -2.618 1.00 0.00 C ATOM 1212 CD LYS B 9 12.188 12.395 -1.393 1.00 0.00 C ATOM 1213 CE LYS B 9 12.934 13.660 -1.767 1.00 0.00 C ATOM 1214 NZ LYS B 9 12.986 14.635 -0.665 1.00 0.00 N ATOM 0 H LYS B 9 9.740 11.478 -4.077 1.00 0.00 H new ATOM 0 HA LYS B 9 11.426 9.229 -4.119 1.00 0.00 H new ATOM 0 HB2 LYS B 9 10.200 10.715 -1.759 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.590 9.651 -1.679 1.00 0.00 H new ATOM 0 HG2 LYS B 9 12.934 11.156 -2.975 1.00 0.00 H new ATOM 0 HG3 LYS B 9 11.544 12.126 -3.420 1.00 0.00 H new ATOM 0 HD2 LYS B 9 11.227 12.651 -0.947 1.00 0.00 H new ATOM 0 HD3 LYS B 9 12.751 11.842 -0.641 1.00 0.00 H new ATOM 0 HE2 LYS B 9 13.950 13.403 -2.067 1.00 0.00 H new ATOM 0 HE3 LYS B 9 12.453 14.119 -2.631 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 13.507 15.481 -0.974 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 12.019 14.904 -0.394 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 13.469 14.210 0.152 1.00 0.00 H new ATOM 1228 N ILE B 10 8.442 8.824 -2.752 1.00 0.00 N ATOM 1229 CA ILE B 10 7.440 7.851 -2.354 1.00 0.00 C ATOM 1230 C ILE B 10 7.154 6.883 -3.494 1.00 0.00 C ATOM 1231 O ILE B 10 7.225 5.677 -3.302 1.00 0.00 O ATOM 1232 CB ILE B 10 6.125 8.536 -1.863 1.00 0.00 C ATOM 1233 CG1 ILE B 10 6.378 9.258 -0.533 1.00 0.00 C ATOM 1234 CG2 ILE B 10 4.977 7.532 -1.729 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.165 9.943 0.047 1.00 0.00 C ATOM 0 H ILE B 10 8.122 9.791 -2.703 1.00 0.00 H new ATOM 0 HA ILE B 10 7.844 7.289 -1.512 1.00 0.00 H new ATOM 0 HB ILE B 10 5.824 9.267 -2.613 1.00 0.00 H new ATOM 0 HG12 ILE B 10 6.754 8.536 0.192 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.163 10.000 -0.680 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.081 8.048 -1.385 1.00 0.00 H new ATOM 0 HG22 ILE B 10 4.782 7.071 -2.697 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.250 6.761 -1.009 1.00 0.00 H new ATOM 0 HD11 ILE B 10 5.435 10.427 0.986 1.00 0.00 H new ATOM 0 HD12 ILE B 10 4.799 10.692 -0.656 1.00 0.00 H new ATOM 0 HD13 ILE B 10 4.384 9.206 0.230 1.00 0.00 H new ATOM 1247 N GLU B 11 6.876 7.426 -4.673 1.00 0.00 N ATOM 1248 CA GLU B 11 6.620 6.630 -5.871 1.00 0.00 C ATOM 1249 C GLU B 11 7.782 5.697 -6.147 1.00 0.00 C ATOM 1250 O GLU B 11 7.599 4.492 -6.269 1.00 0.00 O ATOM 1251 CB GLU B 11 6.386 7.543 -7.078 1.00 0.00 C ATOM 1252 CG GLU B 11 5.157 8.430 -6.952 1.00 0.00 C ATOM 1253 CD GLU B 11 3.884 7.645 -6.876 1.00 0.00 C ATOM 1254 OE1 GLU B 11 3.403 7.168 -7.917 1.00 0.00 O ATOM 1255 OE2 GLU B 11 3.311 7.490 -5.774 1.00 0.00 O ATOM 0 H GLU B 11 6.821 8.433 -4.827 1.00 0.00 H new ATOM 0 HA GLU B 11 5.724 6.033 -5.700 1.00 0.00 H new ATOM 0 HB2 GLU B 11 7.264 8.174 -7.220 1.00 0.00 H new ATOM 0 HB3 GLU B 11 6.288 6.928 -7.973 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.251 9.050 -6.060 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.112 9.106 -7.806 1.00 0.00 H new ATOM 1262 N ASN B 12 8.966 6.255 -6.185 1.00 0.00 N ATOM 1263 CA ASN B 12 10.181 5.504 -6.454 1.00 0.00 C ATOM 1264 C ASN B 12 10.425 4.391 -5.435 1.00 0.00 C ATOM 1265 O ASN B 12 10.703 3.243 -5.816 1.00 0.00 O ATOM 1266 CB ASN B 12 11.391 6.444 -6.532 1.00 0.00 C ATOM 1267 CG ASN B 12 12.705 5.696 -6.625 1.00 0.00 C ATOM 1268 OD1 ASN B 12 13.131 5.300 -7.713 1.00 0.00 O ATOM 1269 ND2 ASN B 12 13.377 5.561 -5.514 1.00 0.00 N ATOM 0 H ASN B 12 9.122 7.251 -6.030 1.00 0.00 H new ATOM 0 HA ASN B 12 10.045 5.020 -7.421 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.285 7.095 -7.400 1.00 0.00 H new ATOM 0 HB3 ASN B 12 11.405 7.087 -5.652 1.00 0.00 H new ATOM 0 HD21 ASN B 12 14.293 5.113 -5.523 1.00 0.00 H new ATOM 0 HD22 ASN B 12 12.986 5.904 -4.637 1.00 0.00 H new ATOM 1276 N LYS B 13 10.291 4.716 -4.160 1.00 0.00 N ATOM 1277 CA LYS B 13 10.543 3.759 -3.094 1.00 0.00 C ATOM 1278 C LYS B 13 9.480 2.659 -3.111 1.00 0.00 C ATOM 1279 O LYS B 13 9.784 1.480 -2.901 1.00 0.00 O ATOM 1280 CB LYS B 13 10.569 4.478 -1.744 1.00 0.00 C ATOM 1281 CG LYS B 13 11.162 3.669 -0.595 1.00 0.00 C ATOM 1282 CD LYS B 13 12.605 3.254 -0.886 1.00 0.00 C ATOM 1283 CE LYS B 13 13.550 4.430 -1.068 1.00 0.00 C ATOM 1284 NZ LYS B 13 13.809 5.153 0.192 1.00 0.00 N ATOM 0 H LYS B 13 10.007 5.641 -3.836 1.00 0.00 H new ATOM 0 HA LYS B 13 11.515 3.292 -3.252 1.00 0.00 H new ATOM 0 HB2 LYS B 13 11.139 5.401 -1.851 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.550 4.762 -1.481 1.00 0.00 H new ATOM 0 HG2 LYS B 13 11.130 4.259 0.321 1.00 0.00 H new ATOM 0 HG3 LYS B 13 10.555 2.780 -0.423 1.00 0.00 H new ATOM 0 HD2 LYS B 13 12.967 2.631 -0.068 1.00 0.00 H new ATOM 0 HD3 LYS B 13 12.623 2.641 -1.787 1.00 0.00 H new ATOM 0 HE2 LYS B 13 14.495 4.072 -1.477 1.00 0.00 H new ATOM 0 HE3 LYS B 13 13.128 5.120 -1.798 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 14.317 6.037 -0.013 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 12.906 5.373 0.658 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 14.387 4.559 0.820 1.00 0.00 H new ATOM 1298 N LYS B 14 8.250 3.068 -3.388 1.00 0.00 N ATOM 1299 CA LYS B 14 7.101 2.179 -3.537 1.00 0.00 C ATOM 1300 C LYS B 14 7.410 1.146 -4.617 1.00 0.00 C ATOM 1301 O LYS B 14 7.264 -0.047 -4.414 1.00 0.00 O ATOM 1302 CB LYS B 14 5.891 3.037 -3.958 1.00 0.00 C ATOM 1303 CG LYS B 14 4.568 2.313 -4.165 1.00 0.00 C ATOM 1304 CD LYS B 14 3.473 3.286 -4.634 1.00 0.00 C ATOM 1305 CE LYS B 14 3.727 3.771 -6.049 1.00 0.00 C ATOM 1306 NZ LYS B 14 2.783 4.834 -6.484 1.00 0.00 N ATOM 0 H LYS B 14 8.015 4.052 -3.519 1.00 0.00 H new ATOM 0 HA LYS B 14 6.884 1.660 -2.603 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.741 3.806 -3.200 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.146 3.549 -4.886 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.695 1.520 -4.902 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.261 1.836 -3.234 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.502 2.793 -4.586 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.430 4.140 -3.958 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.747 4.150 -6.118 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.653 2.926 -6.734 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.051 5.169 -7.431 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.817 4.450 -6.513 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.820 5.627 -5.813 1.00 0.00 H new ATOM 1320 N LYS B 15 7.886 1.637 -5.738 1.00 0.00 N ATOM 1321 CA LYS B 15 8.230 0.819 -6.895 1.00 0.00 C ATOM 1322 C LYS B 15 9.383 -0.118 -6.603 1.00 0.00 C ATOM 1323 O LYS B 15 9.354 -1.280 -7.020 1.00 0.00 O ATOM 1324 CB LYS B 15 8.516 1.695 -8.107 1.00 0.00 C ATOM 1325 CG LYS B 15 7.315 2.524 -8.539 1.00 0.00 C ATOM 1326 CD LYS B 15 7.652 3.482 -9.664 1.00 0.00 C ATOM 1327 CE LYS B 15 7.967 2.746 -10.960 1.00 0.00 C ATOM 1328 NZ LYS B 15 8.289 3.680 -12.050 1.00 0.00 N ATOM 0 H LYS B 15 8.051 2.633 -5.881 1.00 0.00 H new ATOM 0 HA LYS B 15 7.368 0.193 -7.125 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.347 2.362 -7.878 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.833 1.064 -8.938 1.00 0.00 H new ATOM 0 HG2 LYS B 15 6.513 1.859 -8.859 1.00 0.00 H new ATOM 0 HG3 LYS B 15 6.939 3.088 -7.685 1.00 0.00 H new ATOM 0 HD2 LYS B 15 6.815 4.161 -9.826 1.00 0.00 H new ATOM 0 HD3 LYS B 15 8.507 4.094 -9.376 1.00 0.00 H new ATOM 0 HE2 LYS B 15 8.807 2.070 -10.800 1.00 0.00 H new ATOM 0 HE3 LYS B 15 7.113 2.132 -11.247 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 8.498 3.144 -12.916 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 7.478 4.309 -12.219 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 9.119 4.249 -11.786 1.00 0.00 H new ATOM 1342 N GLU B 16 10.383 0.370 -5.861 1.00 0.00 N ATOM 1343 CA GLU B 16 11.496 -0.476 -5.442 1.00 0.00 C ATOM 1344 C GLU B 16 10.972 -1.652 -4.632 1.00 0.00 C ATOM 1345 O GLU B 16 11.420 -2.788 -4.809 1.00 0.00 O ATOM 1346 CB GLU B 16 12.533 0.289 -4.604 1.00 0.00 C ATOM 1347 CG GLU B 16 13.398 1.287 -5.353 1.00 0.00 C ATOM 1348 CD GLU B 16 14.470 1.902 -4.461 1.00 0.00 C ATOM 1349 OE1 GLU B 16 15.226 1.140 -3.798 1.00 0.00 O ATOM 1350 OE2 GLU B 16 14.610 3.142 -4.438 1.00 0.00 O ATOM 0 H GLU B 16 10.441 1.337 -5.543 1.00 0.00 H new ATOM 0 HA GLU B 16 11.992 -0.825 -6.348 1.00 0.00 H new ATOM 0 HB2 GLU B 16 12.007 0.820 -3.810 1.00 0.00 H new ATOM 0 HB3 GLU B 16 13.187 -0.438 -4.123 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.873 0.791 -6.199 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.768 2.078 -5.760 1.00 0.00 H new ATOM 1357 N LEU B 17 9.995 -1.369 -3.775 1.00 0.00 N ATOM 1358 CA LEU B 17 9.378 -2.376 -2.937 1.00 0.00 C ATOM 1359 C LEU B 17 8.601 -3.358 -3.762 1.00 0.00 C ATOM 1360 O LEU B 17 8.705 -4.566 -3.545 1.00 0.00 O ATOM 1361 CB LEU B 17 8.433 -1.751 -1.941 1.00 0.00 C ATOM 1362 CG LEU B 17 7.552 -2.745 -1.215 1.00 0.00 C ATOM 1363 CD1 LEU B 17 8.251 -3.462 -0.119 1.00 0.00 C ATOM 1364 CD2 LEU B 17 6.251 -2.155 -0.828 1.00 0.00 C ATOM 0 H LEU B 17 9.613 -0.432 -3.647 1.00 0.00 H new ATOM 0 HA LEU B 17 10.185 -2.887 -2.411 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.014 -1.193 -1.207 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.799 -1.032 -2.460 1.00 0.00 H new ATOM 0 HG LEU B 17 7.313 -3.532 -1.930 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.561 -4.158 0.358 1.00 0.00 H new ATOM 0 HD12 LEU B 17 9.098 -4.013 -0.527 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.607 -2.742 0.618 1.00 0.00 H new ATOM 0 HD21 LEU B 17 5.652 -2.904 -0.310 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.419 -1.304 -0.167 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.723 -1.822 -1.721 1.00 0.00 H new ATOM 1376 N ILE B 18 7.806 -2.835 -4.695 1.00 0.00 N ATOM 1377 CA ILE B 18 6.999 -3.656 -5.587 1.00 0.00 C ATOM 1378 C ILE B 18 7.889 -4.660 -6.274 1.00 0.00 C ATOM 1379 O ILE B 18 7.545 -5.810 -6.374 1.00 0.00 O ATOM 1380 CB ILE B 18 6.233 -2.801 -6.639 1.00 0.00 C ATOM 1381 CG1 ILE B 18 5.307 -1.816 -5.924 1.00 0.00 C ATOM 1382 CG2 ILE B 18 5.419 -3.700 -7.588 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.704 -0.767 -6.825 1.00 0.00 C ATOM 0 H ILE B 18 7.706 -1.832 -4.851 1.00 0.00 H new ATOM 0 HA ILE B 18 6.247 -4.171 -4.989 1.00 0.00 H new ATOM 0 HB ILE B 18 6.959 -2.248 -7.235 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.502 -2.374 -5.445 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.866 -1.320 -5.131 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.893 -3.080 -8.314 1.00 0.00 H new ATOM 0 HG22 ILE B 18 6.091 -4.380 -8.111 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.696 -4.277 -7.012 1.00 0.00 H new ATOM 0 HD11 ILE B 18 4.061 -0.110 -6.239 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.500 -0.181 -7.284 1.00 0.00 H new ATOM 0 HD13 ILE B 18 4.115 -1.251 -7.604 1.00 0.00 H new ATOM 1395 N GLN B 19 9.065 -4.212 -6.674 1.00 0.00 N ATOM 1396 CA GLN B 19 10.064 -5.073 -7.269 1.00 0.00 C ATOM 1397 C GLN B 19 10.436 -6.248 -6.347 1.00 0.00 C ATOM 1398 O GLN B 19 10.551 -7.385 -6.820 1.00 0.00 O ATOM 1399 CB GLN B 19 11.295 -4.285 -7.654 1.00 0.00 C ATOM 1400 CG GLN B 19 11.076 -3.314 -8.792 1.00 0.00 C ATOM 1401 CD GLN B 19 12.316 -2.502 -9.089 1.00 0.00 C ATOM 1402 OE1 GLN B 19 13.444 -2.951 -8.851 1.00 0.00 O ATOM 1403 NE2 GLN B 19 12.131 -1.328 -9.623 1.00 0.00 N ATOM 0 H GLN B 19 9.353 -3.237 -6.594 1.00 0.00 H new ATOM 0 HA GLN B 19 9.626 -5.496 -8.173 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.647 -3.733 -6.782 1.00 0.00 H new ATOM 0 HB3 GLN B 19 12.087 -4.981 -7.932 1.00 0.00 H new ATOM 0 HG2 GLN B 19 10.780 -3.863 -9.686 1.00 0.00 H new ATOM 0 HG3 GLN B 19 10.254 -2.643 -8.543 1.00 0.00 H new ATOM 0 HE21 GLN B 19 11.185 -0.993 -9.804 1.00 0.00 H new ATOM 0 HE22 GLN B 19 12.933 -0.744 -9.860 1.00 0.00 H new ATOM 1412 N LEU B 20 10.592 -5.990 -5.035 1.00 0.00 N ATOM 1413 CA LEU B 20 10.890 -7.070 -4.096 1.00 0.00 C ATOM 1414 C LEU B 20 9.682 -7.985 -3.925 1.00 0.00 C ATOM 1415 O LEU B 20 9.812 -9.204 -4.024 1.00 0.00 O ATOM 1416 CB LEU B 20 11.375 -6.611 -2.687 1.00 0.00 C ATOM 1417 CG LEU B 20 12.764 -5.971 -2.523 1.00 0.00 C ATOM 1418 CD1 LEU B 20 13.818 -6.617 -3.397 1.00 0.00 C ATOM 1419 CD2 LEU B 20 12.742 -4.463 -2.631 1.00 0.00 C ATOM 0 H LEU B 20 10.518 -5.063 -4.615 1.00 0.00 H new ATOM 0 HA LEU B 20 11.727 -7.599 -4.552 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.643 -5.898 -2.308 1.00 0.00 H new ATOM 0 HB3 LEU B 20 11.340 -7.482 -2.032 1.00 0.00 H new ATOM 0 HG LEU B 20 13.065 -6.181 -1.497 1.00 0.00 H new ATOM 0 HD11 LEU B 20 14.776 -6.123 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU B 20 13.907 -7.672 -3.140 1.00 0.00 H new ATOM 0 HD13 LEU B 20 13.531 -6.522 -4.444 1.00 0.00 H new ATOM 0 HD21 LEU B 20 13.753 -4.075 -2.506 1.00 0.00 H new ATOM 0 HD22 LEU B 20 12.360 -4.174 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU B 20 12.097 -4.052 -1.854 1.00 0.00 H new ATOM 1431 N VAL B 21 8.499 -7.398 -3.686 1.00 0.00 N ATOM 1432 CA VAL B 21 7.284 -8.198 -3.481 1.00 0.00 C ATOM 1433 C VAL B 21 6.944 -9.020 -4.745 1.00 0.00 C ATOM 1434 O VAL B 21 6.478 -10.161 -4.663 1.00 0.00 O ATOM 1435 CB VAL B 21 6.074 -7.303 -3.106 1.00 0.00 C ATOM 1436 CG1 VAL B 21 4.891 -8.139 -2.665 1.00 0.00 C ATOM 1437 CG2 VAL B 21 6.448 -6.315 -2.026 1.00 0.00 C ATOM 0 H VAL B 21 8.359 -6.389 -3.631 1.00 0.00 H new ATOM 0 HA VAL B 21 7.484 -8.879 -2.654 1.00 0.00 H new ATOM 0 HB VAL B 21 5.786 -6.748 -3.999 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.058 -7.484 -2.409 1.00 0.00 H new ATOM 0 HG12 VAL B 21 4.593 -8.804 -3.475 1.00 0.00 H new ATOM 0 HG13 VAL B 21 5.169 -8.731 -1.793 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.583 -5.699 -1.781 1.00 0.00 H new ATOM 0 HG22 VAL B 21 6.773 -6.854 -1.136 1.00 0.00 H new ATOM 0 HG23 VAL B 21 7.258 -5.678 -2.381 1.00 0.00 H new ATOM 1447 N ALA B 22 7.212 -8.445 -5.899 1.00 0.00 N ATOM 1448 CA ALA B 22 6.952 -9.087 -7.172 1.00 0.00 C ATOM 1449 C ALA B 22 7.854 -10.286 -7.390 1.00 0.00 C ATOM 1450 O ALA B 22 7.376 -11.372 -7.770 1.00 0.00 O ATOM 1451 CB ALA B 22 7.105 -8.099 -8.309 1.00 0.00 C ATOM 0 H ALA B 22 7.619 -7.513 -5.981 1.00 0.00 H new ATOM 0 HA ALA B 22 5.923 -9.445 -7.153 1.00 0.00 H new ATOM 0 HB1 ALA B 22 6.906 -8.600 -9.256 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.398 -7.280 -8.177 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.121 -7.705 -8.314 1.00 0.00 H new ATOM 1457 N ARG B 23 9.146 -10.120 -7.096 1.00 0.00 N ATOM 1458 CA ARG B 23 10.120 -11.193 -7.305 1.00 0.00 C ATOM 1459 C ARG B 23 9.997 -12.265 -6.221 1.00 0.00 C ATOM 1460 O ARG B 23 10.684 -13.286 -6.253 1.00 0.00 O ATOM 1461 CB ARG B 23 11.556 -10.653 -7.405 1.00 0.00 C ATOM 1462 CG ARG B 23 12.114 -10.056 -6.127 1.00 0.00 C ATOM 1463 CD ARG B 23 13.498 -9.460 -6.352 1.00 0.00 C ATOM 1464 NE ARG B 23 14.462 -10.449 -6.859 1.00 0.00 N ATOM 1465 CZ ARG B 23 15.716 -10.168 -7.267 1.00 0.00 C ATOM 1466 NH1 ARG B 23 16.178 -8.920 -7.203 1.00 0.00 N ATOM 1467 NH2 ARG B 23 16.497 -11.140 -7.741 1.00 0.00 N ATOM 0 H ARG B 23 9.539 -9.259 -6.715 1.00 0.00 H new ATOM 0 HA ARG B 23 9.891 -11.660 -8.263 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.210 -11.464 -7.724 1.00 0.00 H new ATOM 0 HB3 ARG B 23 11.587 -9.893 -8.186 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.439 -9.284 -5.759 1.00 0.00 H new ATOM 0 HG3 ARG B 23 12.168 -10.826 -5.357 1.00 0.00 H new ATOM 0 HD2 ARG B 23 13.424 -8.634 -7.059 1.00 0.00 H new ATOM 0 HD3 ARG B 23 13.868 -9.044 -5.415 1.00 0.00 H new ATOM 0 HE ARG B 23 14.158 -11.422 -6.905 1.00 0.00 H new ATOM 0 HH11 ARG B 23 15.583 -8.174 -6.844 1.00 0.00 H new ATOM 0 HH12 ARG B 23 17.127 -8.711 -7.513 1.00 0.00 H new ATOM 0 HH21 ARG B 23 16.146 -12.096 -7.795 1.00 0.00 H new ATOM 0 HH22 ARG B 23 17.446 -10.927 -8.050 1.00 0.00 H new ATOM 1481 N HIS B 24 9.141 -12.006 -5.243 1.00 0.00 N ATOM 1482 CA HIS B 24 8.797 -12.995 -4.250 1.00 0.00 C ATOM 1483 C HIS B 24 7.988 -14.103 -4.925 1.00 0.00 C ATOM 1484 O HIS B 24 8.168 -15.283 -4.635 1.00 0.00 O ATOM 1485 CB HIS B 24 7.989 -12.359 -3.094 1.00 0.00 C ATOM 1486 CG HIS B 24 7.402 -13.357 -2.133 1.00 0.00 C ATOM 1487 ND1 HIS B 24 6.073 -13.741 -2.146 1.00 0.00 N ATOM 1488 CD2 HIS B 24 7.989 -14.081 -1.153 1.00 0.00 C ATOM 1489 CE1 HIS B 24 5.901 -14.666 -1.206 1.00 0.00 C ATOM 1490 NE2 HIS B 24 7.037 -14.914 -0.569 1.00 0.00 N ATOM 0 H HIS B 24 8.672 -11.108 -5.122 1.00 0.00 H new ATOM 0 HA HIS B 24 9.708 -13.412 -3.821 1.00 0.00 H new ATOM 0 HB2 HIS B 24 8.638 -11.678 -2.543 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.183 -11.759 -3.516 1.00 0.00 H new ATOM 0 HD2 HIS B 24 9.029 -14.023 -0.869 1.00 0.00 H new ATOM 0 HE1 HIS B 24 4.960 -15.151 -0.990 1.00 0.00 H new ATOM 0 HE2 HIS B 24 7.184 -15.578 0.192 1.00 0.00 H new ATOM 1498 N GLY B 25 7.125 -13.713 -5.832 1.00 0.00 N ATOM 1499 CA GLY B 25 6.314 -14.677 -6.515 1.00 0.00 C ATOM 1500 C GLY B 25 4.998 -14.112 -6.977 1.00 0.00 C ATOM 1501 O GLY B 25 3.965 -14.773 -6.880 1.00 0.00 O ATOM 0 H GLY B 25 6.971 -12.743 -6.109 1.00 0.00 H new ATOM 0 HA2 GLY B 25 6.862 -15.060 -7.376 1.00 0.00 H new ATOM 0 HA3 GLY B 25 6.128 -15.523 -5.853 1.00 0.00 H new ATOM 1505 N LEU B 26 5.000 -12.884 -7.453 1.00 0.00 N ATOM 1506 CA LEU B 26 3.786 -12.327 -7.987 1.00 0.00 C ATOM 1507 C LEU B 26 3.754 -12.481 -9.454 1.00 0.00 C ATOM 1508 O LEU B 26 4.596 -11.955 -10.181 1.00 0.00 O ATOM 1509 CB LEU B 26 3.553 -10.886 -7.599 1.00 0.00 C ATOM 1510 CG LEU B 26 3.394 -10.635 -6.131 1.00 0.00 C ATOM 1511 CD1 LEU B 26 3.038 -9.190 -5.835 1.00 0.00 C ATOM 1512 CD2 LEU B 26 2.434 -11.606 -5.460 1.00 0.00 C ATOM 0 H LEU B 26 5.812 -12.268 -7.479 1.00 0.00 H new ATOM 0 HA LEU B 26 2.969 -12.893 -7.539 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.389 -10.289 -7.964 1.00 0.00 H new ATOM 0 HB3 LEU B 26 2.659 -10.529 -8.111 1.00 0.00 H new ATOM 0 HG LEU B 26 4.372 -10.824 -5.688 1.00 0.00 H new ATOM 0 HD11 LEU B 26 2.933 -9.054 -4.759 1.00 0.00 H new ATOM 0 HD12 LEU B 26 3.827 -8.537 -6.207 1.00 0.00 H new ATOM 0 HD13 LEU B 26 2.098 -8.939 -6.326 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.362 -11.371 -4.398 1.00 0.00 H new ATOM 0 HD22 LEU B 26 1.449 -11.519 -5.918 1.00 0.00 H new ATOM 0 HD23 LEU B 26 2.802 -12.625 -5.582 1.00 0.00 H new ATOM 1524 N ASP B 27 2.787 -13.191 -9.878 1.00 0.00 N ATOM 1525 CA ASP B 27 2.602 -13.522 -11.282 1.00 0.00 C ATOM 1526 C ASP B 27 1.982 -12.421 -12.085 1.00 0.00 C ATOM 1527 O ASP B 27 0.833 -12.542 -12.512 1.00 0.00 O ATOM 1528 CB ASP B 27 1.791 -14.778 -11.461 1.00 0.00 C ATOM 1529 CG ASP B 27 2.561 -16.045 -11.139 1.00 0.00 C ATOM 1530 OD1 ASP B 27 2.550 -16.497 -9.972 1.00 0.00 O ATOM 1531 OD2 ASP B 27 3.200 -16.621 -12.049 1.00 0.00 O ATOM 0 H ASP B 27 2.070 -13.581 -9.266 1.00 0.00 H new ATOM 0 HA ASP B 27 3.612 -13.680 -11.661 1.00 0.00 H new ATOM 0 HB2 ASP B 27 0.909 -14.726 -10.823 1.00 0.00 H new ATOM 0 HB3 ASP B 27 1.437 -14.829 -12.491 1.00 0.00 H new ATOM 1536 N HIS B 28 2.732 -11.336 -12.232 1.00 0.00 N ATOM 1537 CA HIS B 28 2.408 -10.150 -13.068 1.00 0.00 C ATOM 1538 C HIS B 28 1.097 -9.439 -12.713 1.00 0.00 C ATOM 1539 O HIS B 28 1.112 -8.277 -12.317 1.00 0.00 O ATOM 1540 CB HIS B 28 2.504 -10.457 -14.566 1.00 0.00 C ATOM 1541 CG HIS B 28 3.875 -10.894 -14.980 1.00 0.00 C ATOM 1542 ND1 HIS B 28 4.963 -10.051 -15.068 1.00 0.00 N ATOM 1543 CD2 HIS B 28 4.337 -12.127 -15.282 1.00 0.00 C ATOM 1544 CE1 HIS B 28 6.019 -10.779 -15.408 1.00 0.00 C ATOM 1545 NE2 HIS B 28 5.692 -12.056 -15.551 1.00 0.00 N ATOM 0 H HIS B 28 3.629 -11.238 -11.756 1.00 0.00 H new ATOM 0 HA HIS B 28 3.185 -9.427 -12.819 1.00 0.00 H new ATOM 0 HB2 HIS B 28 1.786 -11.237 -14.819 1.00 0.00 H new ATOM 0 HB3 HIS B 28 2.223 -9.570 -15.133 1.00 0.00 H new ATOM 0 HD2 HIS B 28 3.741 -13.028 -15.309 1.00 0.00 H new ATOM 0 HE1 HIS B 28 7.014 -10.383 -15.550 1.00 0.00 H new ATOM 0 HE2 HIS B 28 6.311 -12.826 -15.806 1.00 0.00 H new ATOM 1553 N ASP B 29 -0.010 -10.154 -12.781 1.00 0.00 N ATOM 1554 CA ASP B 29 -1.333 -9.604 -12.495 1.00 0.00 C ATOM 1555 C ASP B 29 -1.378 -9.273 -11.035 1.00 0.00 C ATOM 1556 O ASP B 29 -1.940 -8.270 -10.614 1.00 0.00 O ATOM 1557 CB ASP B 29 -2.407 -10.632 -12.852 1.00 0.00 C ATOM 1558 CG ASP B 29 -3.828 -10.146 -12.629 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -4.239 -9.170 -13.263 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -4.580 -10.777 -11.845 1.00 0.00 O ATOM 0 H ASP B 29 -0.023 -11.141 -13.038 1.00 0.00 H new ATOM 0 HA ASP B 29 -1.520 -8.707 -13.086 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -2.291 -10.915 -13.898 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -2.245 -11.532 -12.259 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.691 -10.110 -10.272 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.511 -9.903 -8.855 1.00 0.00 C ATOM 1567 C LYS B 30 0.249 -8.597 -8.592 1.00 0.00 C ATOM 1568 O LYS B 30 -0.118 -7.839 -7.714 1.00 0.00 O ATOM 1569 CB LYS B 30 0.249 -11.077 -8.248 1.00 0.00 C ATOM 1570 CG LYS B 30 -0.540 -12.373 -8.101 1.00 0.00 C ATOM 1571 CD LYS B 30 -1.606 -12.268 -7.011 1.00 0.00 C ATOM 1572 CE LYS B 30 -2.344 -13.596 -6.796 1.00 0.00 C ATOM 1573 NZ LYS B 30 -3.078 -14.048 -7.999 1.00 0.00 N ATOM 0 H LYS B 30 -0.243 -10.955 -10.627 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.494 -9.833 -8.389 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.126 -11.275 -8.864 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.612 -10.781 -7.264 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -1.014 -12.619 -9.051 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.143 -13.189 -7.864 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -1.139 -11.958 -6.076 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -2.324 -11.494 -7.280 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -1.625 -14.362 -6.506 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -3.045 -13.487 -5.969 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -3.611 -14.912 -7.776 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -3.737 -13.303 -8.304 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -2.402 -14.246 -8.764 1.00 0.00 H new ATOM 1587 N VAL B 31 1.291 -8.341 -9.390 1.00 0.00 N ATOM 1588 CA VAL B 31 2.113 -7.141 -9.268 1.00 0.00 C ATOM 1589 C VAL B 31 1.251 -5.920 -9.547 1.00 0.00 C ATOM 1590 O VAL B 31 1.287 -4.936 -8.803 1.00 0.00 O ATOM 1591 CB VAL B 31 3.296 -7.171 -10.286 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.227 -5.976 -10.113 1.00 0.00 C ATOM 1593 CG2 VAL B 31 4.071 -8.472 -10.183 1.00 0.00 C ATOM 0 H VAL B 31 1.586 -8.965 -10.141 1.00 0.00 H new ATOM 0 HA VAL B 31 2.522 -7.099 -8.258 1.00 0.00 H new ATOM 0 HB VAL B 31 2.861 -7.106 -11.283 1.00 0.00 H new ATOM 0 HG11 VAL B 31 5.036 -6.037 -10.841 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.668 -5.053 -10.268 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.644 -5.982 -9.106 1.00 0.00 H new ATOM 0 HG21 VAL B 31 4.889 -8.466 -10.903 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.475 -8.576 -9.176 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.406 -9.309 -10.396 1.00 0.00 H new ATOM 1603 N LEU B 32 0.460 -6.011 -10.608 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.440 -4.951 -11.013 1.00 0.00 C ATOM 1605 C LEU B 32 -1.412 -4.628 -9.908 1.00 0.00 C ATOM 1606 O LEU B 32 -1.427 -3.505 -9.408 1.00 0.00 O ATOM 1607 CB LEU B 32 -1.190 -5.335 -12.286 1.00 0.00 C ATOM 1608 CG LEU B 32 -0.321 -5.632 -13.512 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -1.188 -5.993 -14.692 1.00 0.00 C ATOM 1610 CD2 LEU B 32 0.577 -4.447 -13.848 1.00 0.00 C ATOM 0 H LEU B 32 0.428 -6.831 -11.214 1.00 0.00 H new ATOM 0 HA LEU B 32 0.155 -4.062 -11.220 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.798 -6.214 -12.075 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.876 -4.526 -12.538 1.00 0.00 H new ATOM 0 HG LEU B 32 0.321 -6.481 -13.277 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.558 -6.202 -15.556 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.779 -6.877 -14.452 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.855 -5.162 -14.921 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.183 -4.686 -14.722 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.038 -3.573 -14.061 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.230 -4.234 -13.002 1.00 0.00 H new ATOM 1622 N LEU B 33 -2.154 -5.622 -9.473 1.00 0.00 N ATOM 1623 CA LEU B 33 -3.160 -5.444 -8.435 1.00 0.00 C ATOM 1624 C LEU B 33 -2.546 -4.935 -7.145 1.00 0.00 C ATOM 1625 O LEU B 33 -3.114 -4.057 -6.486 1.00 0.00 O ATOM 1626 CB LEU B 33 -3.910 -6.738 -8.207 1.00 0.00 C ATOM 1627 CG LEU B 33 -4.666 -7.267 -9.420 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -5.275 -8.602 -9.109 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -5.734 -6.280 -9.862 1.00 0.00 C ATOM 0 H LEU B 33 -2.082 -6.577 -9.824 1.00 0.00 H new ATOM 0 HA LEU B 33 -3.867 -4.687 -8.775 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -3.201 -7.498 -7.880 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.619 -6.591 -7.392 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.960 -7.390 -10.241 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -5.812 -8.969 -9.983 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -4.488 -9.308 -8.844 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.968 -8.500 -8.274 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.261 -6.678 -10.729 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -6.442 -6.121 -9.048 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.266 -5.332 -10.126 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.374 -5.454 -6.815 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.647 -5.017 -5.647 1.00 0.00 C ATOM 1643 C PHE B 34 -0.306 -3.540 -5.748 1.00 0.00 C ATOM 1644 O PHE B 34 -0.654 -2.765 -4.866 1.00 0.00 O ATOM 1645 CB PHE B 34 0.627 -5.854 -5.444 1.00 0.00 C ATOM 1646 CG PHE B 34 1.507 -5.352 -4.342 1.00 0.00 C ATOM 1647 CD1 PHE B 34 1.080 -5.387 -3.032 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.758 -4.830 -4.624 1.00 0.00 C ATOM 1649 CE1 PHE B 34 1.878 -4.909 -2.024 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.564 -4.353 -3.619 1.00 0.00 C ATOM 1651 CZ PHE B 34 3.126 -4.390 -2.318 1.00 0.00 C ATOM 0 H PHE B 34 -0.907 -6.186 -7.350 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.289 -5.163 -4.778 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.344 -6.885 -5.230 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.195 -5.866 -6.374 1.00 0.00 H new ATOM 0 HD1 PHE B 34 0.108 -5.795 -2.797 1.00 0.00 H new ATOM 0 HD2 PHE B 34 3.104 -4.797 -5.646 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.532 -4.938 -1.001 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.539 -3.950 -3.851 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.755 -4.014 -1.525 1.00 0.00 H new ATOM 1661 N SER B 35 0.329 -3.151 -6.849 1.00 0.00 N ATOM 1662 CA SER B 35 0.749 -1.779 -7.043 1.00 0.00 C ATOM 1663 C SER B 35 -0.435 -0.807 -7.018 1.00 0.00 C ATOM 1664 O SER B 35 -0.331 0.272 -6.472 1.00 0.00 O ATOM 1665 CB SER B 35 1.584 -1.635 -8.329 1.00 0.00 C ATOM 1666 OG SER B 35 0.884 -2.088 -9.483 1.00 0.00 O ATOM 0 H SER B 35 0.562 -3.775 -7.621 1.00 0.00 H new ATOM 0 HA SER B 35 1.388 -1.509 -6.202 1.00 0.00 H new ATOM 0 HB2 SER B 35 1.863 -0.590 -8.463 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.510 -2.201 -8.223 1.00 0.00 H new ATOM 0 HG SER B 35 0.020 -2.464 -9.215 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.567 -1.239 -7.556 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.775 -0.421 -7.616 1.00 0.00 C ATOM 1674 C ARG B 36 -3.335 -0.162 -6.232 1.00 0.00 C ATOM 1675 O ARG B 36 -3.680 0.978 -5.887 1.00 0.00 O ATOM 1676 CB ARG B 36 -3.830 -1.116 -8.466 1.00 0.00 C ATOM 1677 CG ARG B 36 -3.412 -1.285 -9.893 1.00 0.00 C ATOM 1678 CD ARG B 36 -4.368 -2.168 -10.669 1.00 0.00 C ATOM 1679 NE ARG B 36 -3.945 -2.335 -12.065 1.00 0.00 N ATOM 1680 CZ ARG B 36 -4.503 -3.184 -12.938 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -5.578 -3.885 -12.590 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -4.002 -3.295 -14.169 1.00 0.00 N ATOM 0 H ARG B 36 -1.676 -2.167 -7.964 1.00 0.00 H new ATOM 0 HA ARG B 36 -2.509 0.536 -8.064 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -4.047 -2.095 -8.038 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -4.755 -0.541 -8.430 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -3.354 -0.307 -10.371 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -2.412 -1.717 -9.928 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -4.431 -3.145 -10.189 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -5.367 -1.734 -10.642 1.00 0.00 H new ATOM 0 HE ARG B 36 -3.168 -1.762 -12.395 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -5.978 -3.776 -11.658 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -6.003 -4.531 -13.255 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -3.196 -2.734 -14.444 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -4.425 -3.941 -14.836 1.00 0.00 H new ATOM 1696 N ASP B 37 -3.403 -1.206 -5.434 1.00 0.00 N ATOM 1697 CA ASP B 37 -3.982 -1.104 -4.098 1.00 0.00 C ATOM 1698 C ASP B 37 -2.999 -0.379 -3.183 1.00 0.00 C ATOM 1699 O ASP B 37 -3.385 0.448 -2.372 1.00 0.00 O ATOM 1700 CB ASP B 37 -4.311 -2.504 -3.561 1.00 0.00 C ATOM 1701 CG ASP B 37 -5.276 -2.520 -2.361 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -4.975 -1.958 -1.295 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -6.388 -3.103 -2.492 1.00 0.00 O ATOM 0 H ASP B 37 -3.067 -2.137 -5.680 1.00 0.00 H new ATOM 0 HA ASP B 37 -4.911 -0.535 -4.136 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -4.745 -3.095 -4.367 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -3.382 -2.995 -3.270 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.724 -0.671 -3.367 1.00 0.00 N ATOM 1709 CA LEU B 38 -0.647 -0.005 -2.648 1.00 0.00 C ATOM 1710 C LEU B 38 -0.664 1.492 -2.944 1.00 0.00 C ATOM 1711 O LEU B 38 -0.580 2.317 -2.036 1.00 0.00 O ATOM 1712 CB LEU B 38 0.700 -0.634 -3.055 1.00 0.00 C ATOM 1713 CG LEU B 38 1.987 0.063 -2.599 1.00 0.00 C ATOM 1714 CD1 LEU B 38 2.027 0.231 -1.105 1.00 0.00 C ATOM 1715 CD2 LEU B 38 3.195 -0.726 -3.064 1.00 0.00 C ATOM 0 H LEU B 38 -1.402 -1.382 -4.024 1.00 0.00 H new ATOM 0 HA LEU B 38 -0.786 -0.135 -1.575 1.00 0.00 H new ATOM 0 HB2 LEU B 38 0.720 -1.655 -2.674 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.723 -0.699 -4.143 1.00 0.00 H new ATOM 0 HG LEU B 38 2.005 1.057 -3.047 1.00 0.00 H new ATOM 0 HD11 LEU B 38 2.954 0.729 -0.820 1.00 0.00 H new ATOM 0 HD12 LEU B 38 1.178 0.834 -0.784 1.00 0.00 H new ATOM 0 HD13 LEU B 38 1.979 -0.748 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU B 38 4.105 -0.224 -2.736 1.00 0.00 H new ATOM 0 HD22 LEU B 38 3.160 -1.729 -2.639 1.00 0.00 H new ATOM 0 HD23 LEU B 38 3.189 -0.793 -4.152 1.00 0.00 H new ATOM 1727 N ASP B 39 -0.813 1.821 -4.214 1.00 0.00 N ATOM 1728 CA ASP B 39 -0.861 3.204 -4.676 1.00 0.00 C ATOM 1729 C ASP B 39 -2.014 3.942 -4.024 1.00 0.00 C ATOM 1730 O ASP B 39 -1.860 5.082 -3.572 1.00 0.00 O ATOM 1731 CB ASP B 39 -1.014 3.234 -6.202 1.00 0.00 C ATOM 1732 CG ASP B 39 -0.990 4.619 -6.798 1.00 0.00 C ATOM 1733 OD1 ASP B 39 0.123 5.164 -7.012 1.00 0.00 O ATOM 1734 OD2 ASP B 39 -2.068 5.172 -7.118 1.00 0.00 O ATOM 0 H ASP B 39 -0.905 1.134 -4.962 1.00 0.00 H new ATOM 0 HA ASP B 39 0.069 3.700 -4.397 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -0.213 2.645 -6.648 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -1.953 2.751 -6.471 1.00 0.00 H new ATOM 1739 N LYS B 40 -3.150 3.261 -3.908 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.328 3.884 -3.352 1.00 0.00 C ATOM 1741 C LYS B 40 -4.239 4.004 -1.860 1.00 0.00 C ATOM 1742 O LYS B 40 -4.728 4.960 -1.294 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.621 3.187 -3.787 1.00 0.00 C ATOM 1744 CG LYS B 40 -5.978 1.854 -3.154 1.00 0.00 C ATOM 1745 CD LYS B 40 -7.248 1.299 -3.812 1.00 0.00 C ATOM 1746 CE LYS B 40 -7.620 -0.097 -3.321 1.00 0.00 C ATOM 1747 NZ LYS B 40 -7.896 -0.138 -1.877 1.00 0.00 N ATOM 0 H LYS B 40 -3.271 2.288 -4.191 1.00 0.00 H new ATOM 0 HA LYS B 40 -4.367 4.894 -3.760 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -6.446 3.874 -3.599 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -5.570 3.038 -4.866 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -5.155 1.150 -3.276 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -6.135 1.979 -2.083 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -8.077 1.979 -3.616 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -7.107 1.271 -4.892 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -8.498 -0.446 -3.864 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -6.808 -0.787 -3.551 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -8.143 -1.109 -1.598 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -7.051 0.168 -1.353 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -8.689 0.498 -1.657 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.602 3.042 -1.231 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.405 3.057 0.206 1.00 0.00 C ATOM 1763 C LEU B 41 -2.539 4.238 0.602 1.00 0.00 C ATOM 1764 O LEU B 41 -2.800 4.919 1.611 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.762 1.747 0.669 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.446 1.630 2.172 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -3.683 1.838 3.011 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -1.826 0.283 2.482 1.00 0.00 C ATOM 0 H LEU B 41 -3.205 2.227 -1.698 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.376 3.156 0.691 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -3.425 0.926 0.395 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -1.835 1.607 0.114 1.00 0.00 H new ATOM 0 HG LEU B 41 -1.731 2.414 2.422 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -3.426 1.749 4.067 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -4.090 2.831 2.819 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -4.428 1.085 2.754 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -1.610 0.219 3.548 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -2.521 -0.510 2.204 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -0.901 0.169 1.917 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.563 4.509 -0.222 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.637 5.586 0.044 1.00 0.00 C ATOM 1782 C ILE B 42 -1.325 6.914 -0.138 1.00 0.00 C ATOM 1783 O ILE B 42 -1.450 7.682 0.811 1.00 0.00 O ATOM 1784 CB ILE B 42 0.649 5.492 -0.823 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.417 4.225 -0.454 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.532 6.722 -0.618 1.00 0.00 C ATOM 1787 CD1 ILE B 42 2.691 4.012 -1.228 1.00 0.00 C ATOM 0 H ILE B 42 -1.385 3.999 -1.087 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.313 5.495 1.081 1.00 0.00 H new ATOM 0 HB ILE B 42 0.364 5.452 -1.874 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.655 4.258 0.609 1.00 0.00 H new ATOM 0 HG13 ILE B 42 0.766 3.364 -0.608 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.427 6.635 -1.235 1.00 0.00 H new ATOM 0 HG22 ILE B 42 0.980 7.618 -0.904 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.820 6.792 0.431 1.00 0.00 H new ATOM 0 HD11 ILE B 42 3.167 3.089 -0.898 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.463 3.943 -2.292 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.366 4.850 -1.055 1.00 0.00 H new ATOM 1799 N ASN B 43 -1.831 7.145 -1.335 1.00 0.00 N ATOM 1800 CA ASN B 43 -2.535 8.384 -1.686 1.00 0.00 C ATOM 1801 C ASN B 43 -3.697 8.665 -0.734 1.00 0.00 C ATOM 1802 O ASN B 43 -4.003 9.822 -0.458 1.00 0.00 O ATOM 1803 CB ASN B 43 -3.032 8.361 -3.144 1.00 0.00 C ATOM 1804 CG ASN B 43 -1.911 8.368 -4.193 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -0.823 8.944 -3.996 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -2.158 7.723 -5.301 1.00 0.00 N ATOM 0 H ASN B 43 -1.769 6.478 -2.104 1.00 0.00 H new ATOM 0 HA ASN B 43 -1.812 9.193 -1.585 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -3.647 7.473 -3.292 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -3.675 9.225 -3.310 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -1.451 7.680 -6.035 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -3.058 7.262 -5.433 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.318 7.600 -0.224 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.392 7.695 0.766 1.00 0.00 C ATOM 1815 C LYS B 44 -4.884 8.388 2.024 1.00 0.00 C ATOM 1816 O LYS B 44 -5.419 9.406 2.450 1.00 0.00 O ATOM 1817 CB LYS B 44 -5.895 6.291 1.114 1.00 0.00 C ATOM 1818 CG LYS B 44 -7.034 6.236 2.113 1.00 0.00 C ATOM 1819 CD LYS B 44 -7.536 4.822 2.311 1.00 0.00 C ATOM 1820 CE LYS B 44 -6.568 3.971 3.060 1.00 0.00 C ATOM 1821 NZ LYS B 44 -7.078 2.582 3.258 1.00 0.00 N ATOM 0 H LYS B 44 -4.089 6.642 -0.488 1.00 0.00 H new ATOM 0 HA LYS B 44 -6.212 8.279 0.348 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -6.217 5.801 0.195 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -5.060 5.712 1.509 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.700 6.641 3.068 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -7.852 6.868 1.767 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -8.483 4.849 2.849 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -7.734 4.371 1.339 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -5.622 3.936 2.519 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -6.363 4.423 4.030 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -6.374 2.025 3.783 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -7.967 2.612 3.797 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -7.249 2.140 2.332 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.831 7.840 2.591 1.00 0.00 N ATOM 1836 CA PHE B 45 -3.224 8.399 3.800 1.00 0.00 C ATOM 1837 C PHE B 45 -2.534 9.728 3.551 1.00 0.00 C ATOM 1838 O PHE B 45 -2.409 10.549 4.460 1.00 0.00 O ATOM 1839 CB PHE B 45 -2.282 7.410 4.474 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.979 6.428 5.370 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -3.630 5.311 4.858 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -2.984 6.627 6.747 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -4.259 4.422 5.701 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.611 5.736 7.587 1.00 0.00 C ATOM 1845 CZ PHE B 45 -4.248 4.631 7.065 1.00 0.00 C ATOM 0 H PHE B 45 -3.368 7.002 2.238 1.00 0.00 H new ATOM 0 HA PHE B 45 -4.049 8.594 4.486 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.734 6.863 3.707 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -1.546 7.963 5.058 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -3.642 5.139 3.792 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -2.489 7.493 7.162 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.763 3.558 5.293 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -3.604 5.902 8.654 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.738 3.929 7.723 1.00 0.00 H new ATOM 1855 N MET B 46 -2.086 9.943 2.334 1.00 0.00 N ATOM 1856 CA MET B 46 -1.480 11.210 1.976 1.00 0.00 C ATOM 1857 C MET B 46 -2.553 12.284 1.910 1.00 0.00 C ATOM 1858 O MET B 46 -2.352 13.406 2.371 1.00 0.00 O ATOM 1859 CB MET B 46 -0.769 11.148 0.622 1.00 0.00 C ATOM 1860 CG MET B 46 0.299 10.082 0.496 1.00 0.00 C ATOM 1861 SD MET B 46 1.317 10.291 -0.972 1.00 0.00 S ATOM 1862 CE MET B 46 2.127 11.837 -0.581 1.00 0.00 C ATOM 0 H MET B 46 -2.129 9.261 1.577 1.00 0.00 H new ATOM 0 HA MET B 46 -0.739 11.443 2.741 1.00 0.00 H new ATOM 0 HB2 MET B 46 -1.516 10.983 -0.154 1.00 0.00 H new ATOM 0 HB3 MET B 46 -0.314 12.119 0.425 1.00 0.00 H new ATOM 0 HG2 MET B 46 0.935 10.104 1.381 1.00 0.00 H new ATOM 0 HG3 MET B 46 -0.174 9.101 0.468 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.047 11.922 -1.159 1.00 0.00 H new ATOM 0 HE2 MET B 46 1.465 12.667 -0.829 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.362 11.866 0.483 1.00 0.00 H new ATOM 1872 N ASN B 47 -3.695 11.913 1.321 1.00 0.00 N ATOM 1873 CA ASN B 47 -4.860 12.795 1.127 1.00 0.00 C ATOM 1874 C ASN B 47 -4.479 13.941 0.180 1.00 0.00 C ATOM 1875 O ASN B 47 -5.018 15.053 0.240 1.00 0.00 O ATOM 1876 CB ASN B 47 -5.392 13.336 2.480 1.00 0.00 C ATOM 1877 CG ASN B 47 -6.754 14.011 2.359 1.00 0.00 C ATOM 1878 OD1 ASN B 47 -7.582 13.628 1.525 1.00 0.00 O ATOM 1879 ND2 ASN B 47 -6.993 15.014 3.170 1.00 0.00 N ATOM 0 H ASN B 47 -3.842 10.972 0.957 1.00 0.00 H new ATOM 0 HA ASN B 47 -5.668 12.218 0.678 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -5.463 12.513 3.191 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -4.675 14.049 2.887 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -7.886 15.505 3.125 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -6.286 15.303 3.846 1.00 0.00 H new ATOM 1886 N VAL B 48 -3.558 13.647 -0.720 1.00 0.00 N ATOM 1887 CA VAL B 48 -3.098 14.625 -1.671 1.00 0.00 C ATOM 1888 C VAL B 48 -4.067 14.777 -2.819 1.00 0.00 C ATOM 1889 O VAL B 48 -4.233 13.895 -3.673 1.00 0.00 O ATOM 1890 CB VAL B 48 -1.649 14.384 -2.181 1.00 0.00 C ATOM 1891 CG1 VAL B 48 -0.657 14.643 -1.067 1.00 0.00 C ATOM 1892 CG2 VAL B 48 -1.475 12.972 -2.723 1.00 0.00 C ATOM 0 H VAL B 48 -3.116 12.732 -0.807 1.00 0.00 H new ATOM 0 HA VAL B 48 -3.060 15.566 -1.122 1.00 0.00 H new ATOM 0 HB VAL B 48 -1.461 15.079 -2.999 1.00 0.00 H new ATOM 0 HG11 VAL B 48 0.355 14.472 -1.434 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -0.751 15.675 -0.729 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -0.860 13.969 -0.235 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -0.450 12.839 -3.071 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -1.687 12.251 -1.934 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -2.163 12.814 -3.553 1.00 0.00 H new ATOM 1902 N LYS B 49 -4.729 15.871 -2.799 1.00 0.00 N ATOM 1903 CA LYS B 49 -5.691 16.211 -3.798 1.00 0.00 C ATOM 1904 C LYS B 49 -5.143 17.346 -4.619 1.00 0.00 C ATOM 1905 O LYS B 49 -5.276 18.521 -4.250 1.00 0.00 O ATOM 1906 CB LYS B 49 -7.014 16.607 -3.146 1.00 0.00 C ATOM 1907 CG LYS B 49 -7.656 15.491 -2.327 1.00 0.00 C ATOM 1908 CD LYS B 49 -8.851 15.991 -1.530 1.00 0.00 C ATOM 1909 CE LYS B 49 -9.967 16.517 -2.420 1.00 0.00 C ATOM 1910 NZ LYS B 49 -11.089 17.056 -1.623 1.00 0.00 N ATOM 0 H LYS B 49 -4.621 16.579 -2.073 1.00 0.00 H new ATOM 0 HA LYS B 49 -5.881 15.352 -4.441 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -6.846 17.469 -2.500 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -7.711 16.922 -3.923 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -7.973 14.688 -2.992 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -6.917 15.068 -1.647 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -9.236 15.180 -0.911 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -8.527 16.782 -0.854 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -9.576 17.297 -3.073 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -10.329 15.715 -3.063 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -11.832 17.406 -2.261 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -11.478 16.304 -1.018 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -10.748 17.838 -1.028 1.00 0.00 H new ATOM 1924 N ASP B 50 -4.454 17.005 -5.673 1.00 0.00 N ATOM 1925 CA ASP B 50 -3.832 18.000 -6.528 1.00 0.00 C ATOM 1926 C ASP B 50 -4.885 18.633 -7.430 1.00 0.00 C ATOM 1927 O ASP B 50 -6.017 18.162 -7.489 1.00 0.00 O ATOM 1928 CB ASP B 50 -2.663 17.367 -7.342 1.00 0.00 C ATOM 1929 CG ASP B 50 -1.986 18.330 -8.317 1.00 0.00 C ATOM 1930 OD1 ASP B 50 -1.658 19.471 -7.929 1.00 0.00 O ATOM 1931 OD2 ASP B 50 -1.796 17.976 -9.490 1.00 0.00 O ATOM 0 H ASP B 50 -4.304 16.040 -5.969 1.00 0.00 H new ATOM 0 HA ASP B 50 -3.400 18.790 -5.914 1.00 0.00 H new ATOM 0 HB2 ASP B 50 -1.915 16.986 -6.646 1.00 0.00 H new ATOM 0 HB3 ASP B 50 -3.045 16.512 -7.899 1.00 0.00 H new ATOM 1936 N LYS B 51 -4.506 19.670 -8.131 1.00 0.00 N ATOM 1937 CA LYS B 51 -5.360 20.435 -9.049 1.00 0.00 C ATOM 1938 C LYS B 51 -5.719 19.631 -10.316 1.00 0.00 C ATOM 1939 O LYS B 51 -6.180 20.205 -11.318 1.00 0.00 O ATOM 1940 CB LYS B 51 -4.608 21.706 -9.447 1.00 0.00 C ATOM 1941 CG LYS B 51 -3.334 21.411 -10.239 1.00 0.00 C ATOM 1942 CD LYS B 51 -2.456 22.629 -10.432 1.00 0.00 C ATOM 1943 CE LYS B 51 -1.809 23.073 -9.124 1.00 0.00 C ATOM 1944 NZ LYS B 51 -0.950 22.018 -8.529 1.00 0.00 N ATOM 0 H LYS B 51 -3.554 20.033 -8.087 1.00 0.00 H new ATOM 0 HA LYS B 51 -6.295 20.670 -8.541 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -5.264 22.340 -10.044 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -4.351 22.268 -8.549 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -2.764 20.638 -9.723 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -3.606 21.009 -11.215 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -1.680 22.405 -11.164 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -3.052 23.446 -10.839 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -1.211 23.966 -9.303 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -2.587 23.348 -8.412 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -0.403 22.419 -7.741 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -1.547 21.242 -8.177 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -0.298 21.653 -9.252 1.00 0.00 H new ATOM 1958 N VAL B 52 -5.527 18.326 -10.250 1.00 0.00 N ATOM 1959 CA VAL B 52 -5.784 17.418 -11.342 1.00 0.00 C ATOM 1960 C VAL B 52 -7.218 17.537 -11.795 1.00 0.00 C ATOM 1961 O VAL B 52 -8.166 17.424 -11.001 1.00 0.00 O ATOM 1962 CB VAL B 52 -5.426 15.934 -10.996 1.00 0.00 C ATOM 1963 CG1 VAL B 52 -3.931 15.785 -10.807 1.00 0.00 C ATOM 1964 CG2 VAL B 52 -6.155 15.448 -9.741 1.00 0.00 C ATOM 0 H VAL B 52 -5.179 17.861 -9.412 1.00 0.00 H new ATOM 0 HA VAL B 52 -5.126 17.708 -12.161 1.00 0.00 H new ATOM 0 HB VAL B 52 -5.753 15.318 -11.834 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -3.696 14.748 -10.567 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -3.418 16.070 -11.726 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -3.601 16.430 -9.992 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -5.878 14.414 -9.537 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -5.875 16.073 -8.893 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -7.232 15.511 -9.898 1.00 0.00 H new ATOM 1974 N HIS B 53 -7.377 17.831 -13.035 1.00 0.00 N ATOM 1975 CA HIS B 53 -8.675 18.046 -13.571 1.00 0.00 C ATOM 1976 C HIS B 53 -9.311 16.733 -13.939 1.00 0.00 C ATOM 1977 O HIS B 53 -8.617 15.759 -14.276 1.00 0.00 O ATOM 1978 CB HIS B 53 -8.627 18.989 -14.799 1.00 0.00 C ATOM 1979 CG HIS B 53 -7.941 18.435 -16.031 1.00 0.00 C ATOM 1980 ND1 HIS B 53 -8.598 18.141 -17.204 1.00 0.00 N ATOM 1981 CD2 HIS B 53 -6.638 18.146 -16.261 1.00 0.00 C ATOM 1982 CE1 HIS B 53 -7.720 17.690 -18.082 1.00 0.00 C ATOM 1983 NE2 HIS B 53 -6.501 17.673 -17.564 1.00 0.00 N ATOM 0 H HIS B 53 -6.615 17.929 -13.706 1.00 0.00 H new ATOM 0 HA HIS B 53 -9.281 18.528 -12.804 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -9.649 19.259 -15.066 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -8.120 19.909 -14.507 1.00 0.00 H new ATOM 0 HD1 HIS B 53 -9.598 18.253 -17.368 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -5.835 18.263 -15.549 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -7.963 17.377 -19.087 1.00 0.00 H new ATOM 1991 N LYS B 54 -10.591 16.678 -13.821 1.00 0.00 N ATOM 1992 CA LYS B 54 -11.303 15.570 -14.332 1.00 0.00 C ATOM 1993 C LYS B 54 -11.606 15.920 -15.742 1.00 0.00 C ATOM 1994 O LYS B 54 -11.765 17.100 -16.036 1.00 0.00 O ATOM 1995 CB LYS B 54 -12.578 15.290 -13.547 1.00 0.00 C ATOM 1996 CG LYS B 54 -12.334 14.808 -12.125 1.00 0.00 C ATOM 1997 CD LYS B 54 -13.632 14.412 -11.425 1.00 0.00 C ATOM 1998 CE LYS B 54 -14.371 13.290 -12.164 1.00 0.00 C ATOM 1999 NZ LYS B 54 -13.535 12.077 -12.349 1.00 0.00 N ATOM 0 H LYS B 54 -11.165 17.392 -13.373 1.00 0.00 H new ATOM 0 HA LYS B 54 -10.715 14.655 -14.252 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -13.179 16.199 -13.514 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -13.163 14.540 -14.079 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -11.657 13.954 -12.143 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -11.840 15.595 -11.555 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -13.410 14.090 -10.408 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -14.282 15.284 -11.349 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -15.270 13.025 -11.608 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -14.695 13.655 -13.139 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -14.117 11.312 -12.746 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -12.753 12.290 -13.000 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -13.149 11.778 -11.431 1.00 0.00 H new ATOM 2013 N LEU B 55 -11.633 14.951 -16.609 1.00 0.00 N ATOM 2014 CA LEU B 55 -11.846 15.225 -18.011 1.00 0.00 C ATOM 2015 C LEU B 55 -13.179 15.924 -18.237 1.00 0.00 C ATOM 2016 O LEU B 55 -14.252 15.375 -17.928 1.00 0.00 O ATOM 2017 CB LEU B 55 -11.686 13.968 -18.853 1.00 0.00 C ATOM 2018 CG LEU B 55 -10.287 13.331 -18.826 1.00 0.00 C ATOM 2019 CD1 LEU B 55 -10.247 12.093 -19.690 1.00 0.00 C ATOM 2020 CD2 LEU B 55 -9.223 14.325 -19.282 1.00 0.00 C ATOM 0 H LEU B 55 -11.511 13.965 -16.377 1.00 0.00 H new ATOM 0 HA LEU B 55 -11.072 15.916 -18.345 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -12.410 13.228 -18.512 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -11.938 14.208 -19.886 1.00 0.00 H new ATOM 0 HG LEU B 55 -10.071 13.046 -17.796 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -9.248 11.658 -19.657 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -10.971 11.367 -19.320 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -10.493 12.359 -20.718 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -8.243 13.848 -19.253 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -9.439 14.648 -20.300 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -9.225 15.190 -18.619 1.00 0.00 H new ATOM 2032 N GLU B 56 -13.058 17.158 -18.712 1.00 0.00 N ATOM 2033 CA GLU B 56 -14.135 18.135 -18.941 1.00 0.00 C ATOM 2034 C GLU B 56 -15.383 17.574 -19.582 1.00 0.00 C ATOM 2035 O GLU B 56 -16.467 18.102 -19.344 1.00 0.00 O ATOM 2036 CB GLU B 56 -13.651 19.311 -19.821 1.00 0.00 C ATOM 2037 CG GLU B 56 -12.549 20.195 -19.239 1.00 0.00 C ATOM 2038 CD GLU B 56 -11.223 19.510 -19.119 1.00 0.00 C ATOM 2039 OE1 GLU B 56 -10.448 19.511 -20.090 1.00 0.00 O ATOM 2040 OE2 GLU B 56 -10.935 18.958 -18.067 1.00 0.00 O ATOM 0 H GLU B 56 -12.146 17.536 -18.967 1.00 0.00 H new ATOM 0 HA GLU B 56 -14.397 18.464 -17.936 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -13.296 18.904 -20.768 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -14.510 19.943 -20.047 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -12.435 21.078 -19.867 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -12.858 20.543 -18.253 1.00 0.00 H new ATOM 2047 N HIS B 57 -15.216 16.540 -20.408 1.00 0.00 N ATOM 2048 CA HIS B 57 -16.274 15.910 -21.217 1.00 0.00 C ATOM 2049 C HIS B 57 -16.870 16.890 -22.226 1.00 0.00 C ATOM 2050 O HIS B 57 -16.516 18.083 -22.222 1.00 0.00 O ATOM 2051 CB HIS B 57 -17.360 15.101 -20.406 1.00 0.00 C ATOM 2052 CG HIS B 57 -18.307 15.873 -19.511 1.00 0.00 C ATOM 2053 ND1 HIS B 57 -18.242 15.872 -18.129 1.00 0.00 N ATOM 2054 CD2 HIS B 57 -19.366 16.657 -19.828 1.00 0.00 C ATOM 2055 CE1 HIS B 57 -19.232 16.630 -17.666 1.00 0.00 C ATOM 2056 NE2 HIS B 57 -19.948 17.134 -18.655 1.00 0.00 N ATOM 0 H HIS B 57 -14.307 16.097 -20.541 1.00 0.00 H new ATOM 0 HA HIS B 57 -15.768 15.128 -21.783 1.00 0.00 H new ATOM 0 HB2 HIS B 57 -17.961 14.541 -21.122 1.00 0.00 H new ATOM 0 HB3 HIS B 57 -16.838 14.371 -19.787 1.00 0.00 H new ATOM 0 HD2 HIS B 57 -19.705 16.877 -20.830 1.00 0.00 H new ATOM 0 HE1 HIS B 57 -19.425 16.810 -16.619 1.00 0.00 H new ATOM 0 HE2 HIS B 57 -20.760 17.746 -18.576 1.00 0.00 H new ATOM 2064 N HIS B 58 -17.734 16.383 -23.102 1.00 0.00 N ATOM 2065 CA HIS B 58 -18.320 17.153 -24.207 1.00 0.00 C ATOM 2066 C HIS B 58 -17.249 17.441 -25.258 1.00 0.00 C ATOM 2067 O HIS B 58 -16.248 18.125 -25.002 1.00 0.00 O ATOM 2068 CB HIS B 58 -19.038 18.450 -23.736 1.00 0.00 C ATOM 2069 CG HIS B 58 -19.693 19.242 -24.844 1.00 0.00 C ATOM 2070 ND1 HIS B 58 -21.035 19.200 -25.130 1.00 0.00 N ATOM 2071 CD2 HIS B 58 -19.154 20.115 -25.730 1.00 0.00 C ATOM 2072 CE1 HIS B 58 -21.271 20.023 -26.154 1.00 0.00 C ATOM 2073 NE2 HIS B 58 -20.157 20.607 -26.557 1.00 0.00 N ATOM 0 H HIS B 58 -18.054 15.415 -23.068 1.00 0.00 H new ATOM 0 HA HIS B 58 -19.103 16.542 -24.657 1.00 0.00 H new ATOM 0 HB2 HIS B 58 -19.796 18.183 -23.000 1.00 0.00 H new ATOM 0 HB3 HIS B 58 -18.313 19.088 -23.230 1.00 0.00 H new ATOM 0 HD2 HIS B 58 -18.110 20.386 -25.785 1.00 0.00 H new ATOM 0 HE1 HIS B 58 -22.243 20.189 -26.594 1.00 0.00 H new ATOM 0 HE2 HIS B 58 -20.054 21.279 -27.317 1.00 0.00 H new ATOM 2081 N HIS B 59 -17.446 16.914 -26.415 1.00 0.00 N ATOM 2082 CA HIS B 59 -16.477 17.043 -27.465 1.00 0.00 C ATOM 2083 C HIS B 59 -16.765 18.258 -28.300 1.00 0.00 C ATOM 2084 O HIS B 59 -17.846 18.396 -28.894 1.00 0.00 O ATOM 2085 CB HIS B 59 -16.405 15.761 -28.299 1.00 0.00 C ATOM 2086 CG HIS B 59 -16.041 14.582 -27.450 1.00 0.00 C ATOM 2087 ND1 HIS B 59 -16.953 13.654 -26.997 1.00 0.00 N ATOM 2088 CD2 HIS B 59 -14.854 14.239 -26.900 1.00 0.00 C ATOM 2089 CE1 HIS B 59 -16.310 12.804 -26.195 1.00 0.00 C ATOM 2090 NE2 HIS B 59 -15.028 13.113 -26.101 1.00 0.00 N ATOM 0 H HIS B 59 -18.278 16.381 -26.668 1.00 0.00 H new ATOM 0 HA HIS B 59 -15.491 17.185 -27.022 1.00 0.00 H new ATOM 0 HB2 HIS B 59 -17.367 15.583 -28.780 1.00 0.00 H new ATOM 0 HB3 HIS B 59 -15.668 15.882 -29.093 1.00 0.00 H new ATOM 0 HD2 HIS B 59 -13.919 14.757 -27.056 1.00 0.00 H new ATOM 0 HE1 HIS B 59 -16.776 11.972 -25.688 1.00 0.00 H new ATOM 0 HE2 HIS B 59 -14.315 12.627 -25.556 1.00 0.00 H new ATOM 2098 N HIS B 60 -15.817 19.143 -28.318 1.00 0.00 N ATOM 2099 CA HIS B 60 -15.926 20.384 -29.026 1.00 0.00 C ATOM 2100 C HIS B 60 -15.467 20.220 -30.464 1.00 0.00 C ATOM 2101 O HIS B 60 -14.302 20.367 -30.798 1.00 0.00 O ATOM 2102 CB HIS B 60 -15.214 21.547 -28.273 1.00 0.00 C ATOM 2103 CG HIS B 60 -13.801 21.263 -27.804 1.00 0.00 C ATOM 2104 ND1 HIS B 60 -13.487 20.879 -26.516 1.00 0.00 N ATOM 2105 CD2 HIS B 60 -12.623 21.331 -28.465 1.00 0.00 C ATOM 2106 CE1 HIS B 60 -12.161 20.730 -26.438 1.00 0.00 C ATOM 2107 NE2 HIS B 60 -11.586 20.994 -27.600 1.00 0.00 N ATOM 0 H HIS B 60 -14.928 19.022 -27.832 1.00 0.00 H new ATOM 0 HA HIS B 60 -16.977 20.670 -29.064 1.00 0.00 H new ATOM 0 HB2 HIS B 60 -15.191 22.418 -28.928 1.00 0.00 H new ATOM 0 HB3 HIS B 60 -15.817 21.816 -27.406 1.00 0.00 H new ATOM 0 HD2 HIS B 60 -12.505 21.604 -29.503 1.00 0.00 H new ATOM 0 HE1 HIS B 60 -11.630 20.434 -25.546 1.00 0.00 H new ATOM 0 HE2 HIS B 60 -10.590 20.958 -27.817 1.00 0.00 H new ATOM 2115 N HIS B 61 -16.394 19.848 -31.292 1.00 0.00 N ATOM 2116 CA HIS B 61 -16.117 19.593 -32.692 1.00 0.00 C ATOM 2117 C HIS B 61 -16.328 20.831 -33.557 1.00 0.00 C ATOM 2118 O HIS B 61 -16.193 20.774 -34.775 1.00 0.00 O ATOM 2119 CB HIS B 61 -16.946 18.393 -33.216 1.00 0.00 C ATOM 2120 CG HIS B 61 -18.438 18.522 -33.048 1.00 0.00 C ATOM 2121 ND1 HIS B 61 -19.305 18.881 -34.054 1.00 0.00 N ATOM 2122 CD2 HIS B 61 -19.205 18.313 -31.956 1.00 0.00 C ATOM 2123 CE1 HIS B 61 -20.543 18.881 -33.555 1.00 0.00 C ATOM 2124 NE2 HIS B 61 -20.536 18.542 -32.277 1.00 0.00 N ATOM 0 H HIS B 61 -17.369 19.709 -31.026 1.00 0.00 H new ATOM 0 HA HIS B 61 -15.061 19.332 -32.766 1.00 0.00 H new ATOM 0 HB2 HIS B 61 -16.726 18.255 -34.275 1.00 0.00 H new ATOM 0 HB3 HIS B 61 -16.615 17.491 -32.701 1.00 0.00 H new ATOM 0 HD2 HIS B 61 -18.840 18.014 -30.985 1.00 0.00 H new ATOM 0 HE1 HIS B 61 -21.431 19.125 -34.119 1.00 0.00 H new ATOM 0 HE2 HIS B 61 -21.341 18.465 -31.656 1.00 0.00 H new ATOM 2132 N HIS B 62 -16.645 21.939 -32.954 1.00 0.00 N ATOM 2133 CA HIS B 62 -16.845 23.147 -33.713 1.00 0.00 C ATOM 2134 C HIS B 62 -15.839 24.178 -33.246 1.00 0.00 C ATOM 2135 O HIS B 62 -14.809 24.339 -33.910 1.00 0.00 O ATOM 2136 CB HIS B 62 -18.287 23.653 -33.581 1.00 0.00 C ATOM 2137 CG HIS B 62 -18.636 24.770 -34.520 1.00 0.00 C ATOM 2138 ND1 HIS B 62 -18.784 26.078 -34.135 1.00 0.00 N ATOM 2139 CD2 HIS B 62 -18.907 24.738 -35.850 1.00 0.00 C ATOM 2140 CE1 HIS B 62 -19.135 26.793 -35.203 1.00 0.00 C ATOM 2141 NE2 HIS B 62 -19.227 26.026 -36.283 1.00 0.00 N ATOM 2142 OXT HIS B 62 -16.019 24.747 -32.154 1.00 0.00 O ATOM 0 H HIS B 62 -16.771 22.036 -31.946 1.00 0.00 H new ATOM 0 HA HIS B 62 -16.687 22.949 -34.773 1.00 0.00 H new ATOM 0 HB2 HIS B 62 -18.969 22.821 -33.755 1.00 0.00 H new ATOM 0 HB3 HIS B 62 -18.449 23.990 -32.557 1.00 0.00 H new ATOM 0 HD2 HIS B 62 -18.879 23.857 -36.474 1.00 0.00 H new ATOM 0 HE1 HIS B 62 -19.320 27.857 -35.192 1.00 0.00 H new ATOM 0 HE2 HIS B 62 -19.478 26.316 -37.228 1.00 0.00 H new TER 2150 HIS B 62