USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=27 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: B 53 HIS :FLIP no HD1:sc=-0.00184 F(o=-0.61,f=0.0062) USER MOD Set 1.2: B 54 LYS NZ :NH3+ -125:sc= 0.00808 (180deg=-0.0795) USER MOD Set 2.1: A 24 HIS : no HD1:sc= -0.117 X(o=-0.64,f=-0.84) USER MOD Set 2.2: B 46 MET CE :methyl 161:sc= -0.519 (180deg=-3.1) USER MOD Set 3.1: A 46 MET CE :methyl 163:sc= -1.38 (180deg=-2.23) USER MOD Set 3.2: B 24 HIS : no HD1:sc= -0.0231 K(o=-1.4,f=-2.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -153:sc= 1.06 (180deg=0.612) USER MOD Single : A 3 MET CE :methyl -158:sc= -0.178 (180deg=-0.761) USER MOD Single : A 5 GLN : amide:sc= -0.0877 X(o=-0.088,f=-0.11) USER MOD Single : A 7 LYS NZ :NH3+ -178:sc= 1.18 (180deg=1.15) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 9 LYS NZ :NH3+ -169:sc= -0.0129 (180deg=-0.155) USER MOD Single : A 12 ASN : amide:sc=-0.00316 X(o=-0.0032,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -176:sc= 2.41 (180deg=2.32) USER MOD Single : A 14 LYS NZ :NH3+ -178:sc= 2.03 (180deg=1.9) USER MOD Single : A 15 LYS NZ :NH3+ -165:sc= -0.0243 (180deg=-0.212) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 28 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.22) USER MOD Single : A 30 LYS NZ :NH3+ -150:sc= 2.2 (180deg=1.61) USER MOD Single : A 35 SER OG : rot -78:sc= 1.32 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0.138 K(o=0.14,f=-0.5) USER MOD Single : A 44 LYS NZ :NH3+ -173:sc=-0.00398 (180deg=-0.0499) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -161:sc= -0.0964 (180deg=-0.475) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HE2:sc= -2.86! C(o=-2.9!,f=-11!) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 HIS : no HD1:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.169 K(o=-0.17,f=-0.77) USER MOD Single : A 62 HIS : no HD1:sc=-0.00955 X(o=-0.0096,f=-0.33) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -130:sc= 0.184 (180deg=-0.144) USER MOD Single : B 3 MET CE :methyl -163:sc= -0.0804 (180deg=-0.477) USER MOD Single : B 5 GLN : amide:sc= -0.337 K(o=-0.34,f=-3.8!) USER MOD Single : B 7 LYS NZ :NH3+ -168:sc= -0.0126 (180deg=-0.164) USER MOD Single : B 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 ASN : amide:sc= 0.488 K(o=0.49,f=-0.022) USER MOD Single : B 13 LYS NZ :NH3+ 156:sc= 1.47 (180deg=0.75) USER MOD Single : B 14 LYS NZ :NH3+ -173:sc= 2.08 (180deg=1.7) 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=-0.6) USER MOD Single : B 28 HIS : no HD1:sc= 0 X(o=0,f=-0.00035) USER MOD Single : B 30 LYS NZ :NH3+ 168:sc= 1.18 (180deg=0.905) USER MOD Single : B 35 SER OG : rot -84:sc= 1.22 USER MOD Single : B 40 LYS NZ :NH3+ -147:sc= 1.16 (180deg=0.836) USER MOD Single : B 43 ASN : amide:sc= -0.0507 K(o=-0.051,f=-1.3!) USER MOD Single : B 44 LYS NZ :NH3+ 173:sc= 0.804 (180deg=0.724) USER MOD Single : B 47 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : B 49 LYS NZ :NH3+ 162:sc= -0.128 (180deg=-0.478) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 HIS :FLIP no HE2:sc= 0.0109 F(o=-0.88,f=0.011) USER MOD Single : B 58 HIS : no HD1:sc= -0.384 X(o=-0.38,f=-0.016) 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 X(o=0,f=0) USER MOD Single : B 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.996 -15.811 -4.315 1.00 0.00 N ATOM 2 CA MET A 1 17.698 -17.238 -4.100 1.00 0.00 C ATOM 3 C MET A 1 17.100 -17.396 -2.708 1.00 0.00 C ATOM 4 O MET A 1 16.178 -18.182 -2.484 1.00 0.00 O ATOM 5 CB MET A 1 18.988 -18.081 -4.170 1.00 0.00 C ATOM 6 CG MET A 1 19.846 -17.871 -5.412 1.00 0.00 C ATOM 7 SD MET A 1 19.030 -18.317 -6.957 1.00 0.00 S ATOM 8 CE MET A 1 20.326 -17.887 -8.129 1.00 0.00 C ATOM 0 H1 MET A 1 17.961 -15.599 -5.332 1.00 0.00 H new ATOM 0 H2 MET A 1 17.292 -15.230 -3.816 1.00 0.00 H new ATOM 0 H3 MET A 1 18.945 -15.596 -3.949 1.00 0.00 H new ATOM 0 HA MET A 1 17.008 -17.578 -4.872 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.593 -17.860 -3.291 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.715 -19.135 -4.113 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.145 -16.824 -5.461 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.759 -18.459 -5.313 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.986 -18.101 -9.142 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.559 -16.826 -8.041 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.220 -18.473 -7.915 1.00 0.00 H new ATOM 20 N GLU A 2 17.656 -16.643 -1.788 1.00 0.00 N ATOM 21 CA GLU A 2 17.276 -16.614 -0.401 1.00 0.00 C ATOM 22 C GLU A 2 15.985 -15.822 -0.264 1.00 0.00 C ATOM 23 O GLU A 2 15.951 -14.636 -0.592 1.00 0.00 O ATOM 24 CB GLU A 2 18.355 -15.893 0.428 1.00 0.00 C ATOM 25 CG GLU A 2 19.790 -15.978 -0.093 1.00 0.00 C ATOM 26 CD GLU A 2 20.075 -15.005 -1.247 1.00 0.00 C ATOM 27 OE1 GLU A 2 20.469 -13.859 -0.999 1.00 0.00 O ATOM 28 OE2 GLU A 2 19.866 -15.370 -2.433 1.00 0.00 O ATOM 0 H GLU A 2 18.422 -16.004 -2.000 1.00 0.00 H new ATOM 0 HA GLU A 2 17.154 -17.637 -0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 2 18.081 -14.841 0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 2 18.335 -16.299 1.439 1.00 0.00 H new ATOM 0 HG2 GLU A 2 20.479 -15.772 0.726 1.00 0.00 H new ATOM 0 HG3 GLU A 2 19.988 -16.996 -0.428 1.00 0.00 H new ATOM 35 N MET A 3 14.948 -16.442 0.214 1.00 0.00 N ATOM 36 CA MET A 3 13.668 -15.741 0.321 1.00 0.00 C ATOM 37 C MET A 3 13.552 -14.992 1.641 1.00 0.00 C ATOM 38 O MET A 3 12.862 -13.982 1.731 1.00 0.00 O ATOM 39 CB MET A 3 12.455 -16.659 0.096 1.00 0.00 C ATOM 40 CG MET A 3 12.263 -17.751 1.134 1.00 0.00 C ATOM 41 SD MET A 3 10.775 -18.727 0.841 1.00 0.00 S ATOM 42 CE MET A 3 9.493 -17.478 1.029 1.00 0.00 C ATOM 0 H MET A 3 14.943 -17.410 0.534 1.00 0.00 H new ATOM 0 HA MET A 3 13.656 -15.011 -0.489 1.00 0.00 H new ATOM 0 HB2 MET A 3 11.555 -16.044 0.070 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.551 -17.126 -0.884 1.00 0.00 H new ATOM 0 HG2 MET A 3 13.132 -18.409 1.130 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.209 -17.301 2.125 1.00 0.00 H new ATOM 0 HE1 MET A 3 8.545 -17.962 1.266 1.00 0.00 H new ATOM 0 HE2 MET A 3 9.764 -16.797 1.836 1.00 0.00 H new ATOM 0 HE3 MET A 3 9.392 -16.917 0.100 1.00 0.00 H new ATOM 52 N GLY A 4 14.252 -15.473 2.649 1.00 0.00 N ATOM 53 CA GLY A 4 14.243 -14.825 3.949 1.00 0.00 C ATOM 54 C GLY A 4 14.973 -13.503 3.902 1.00 0.00 C ATOM 55 O GLY A 4 14.477 -12.490 4.396 1.00 0.00 O ATOM 0 H GLY A 4 14.834 -16.309 2.595 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.214 -14.665 4.272 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.711 -15.477 4.687 1.00 0.00 H new ATOM 59 N GLN A 5 16.142 -13.503 3.268 1.00 0.00 N ATOM 60 CA GLN A 5 16.930 -12.282 3.098 1.00 0.00 C ATOM 61 C GLN A 5 16.192 -11.307 2.178 1.00 0.00 C ATOM 62 O GLN A 5 16.265 -10.087 2.350 1.00 0.00 O ATOM 63 CB GLN A 5 18.334 -12.595 2.556 1.00 0.00 C ATOM 64 CG GLN A 5 19.142 -13.558 3.426 1.00 0.00 C ATOM 65 CD GLN A 5 19.267 -13.090 4.866 1.00 0.00 C ATOM 66 OE1 GLN A 5 18.433 -13.410 5.709 1.00 0.00 O ATOM 67 NE2 GLN A 5 20.295 -12.350 5.165 1.00 0.00 N ATOM 0 H GLN A 5 16.567 -14.336 2.862 1.00 0.00 H new ATOM 0 HA GLN A 5 17.055 -11.814 4.075 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.239 -13.019 1.556 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.888 -11.662 2.455 1.00 0.00 H new ATOM 0 HG2 GLN A 5 18.669 -14.540 3.408 1.00 0.00 H new ATOM 0 HG3 GLN A 5 20.138 -13.676 3.000 1.00 0.00 H new ATOM 0 HE21 GLN A 5 20.971 -12.101 4.443 1.00 0.00 H new ATOM 0 HE22 GLN A 5 20.425 -12.020 6.121 1.00 0.00 H new ATOM 76 N LEU A 6 15.447 -11.865 1.238 1.00 0.00 N ATOM 77 CA LEU A 6 14.606 -11.095 0.334 1.00 0.00 C ATOM 78 C LEU A 6 13.490 -10.416 1.150 1.00 0.00 C ATOM 79 O LEU A 6 13.207 -9.226 0.982 1.00 0.00 O ATOM 80 CB LEU A 6 14.066 -12.051 -0.777 1.00 0.00 C ATOM 81 CG LEU A 6 13.125 -11.510 -1.885 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.702 -11.360 -1.400 1.00 0.00 C ATOM 83 CD2 LEU A 6 13.637 -10.197 -2.456 1.00 0.00 C ATOM 0 H LEU A 6 15.408 -12.872 1.079 1.00 0.00 H new ATOM 0 HA LEU A 6 15.164 -10.302 -0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 6 14.931 -12.489 -1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.541 -12.864 -0.276 1.00 0.00 H new ATOM 0 HG LEU A 6 13.123 -12.253 -2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.080 -10.978 -2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.323 -12.330 -1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.675 -10.663 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.954 -9.846 -3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 6 13.698 -9.454 -1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.627 -10.349 -2.887 1.00 0.00 H new ATOM 95 N LYS A 7 12.898 -11.174 2.061 1.00 0.00 N ATOM 96 CA LYS A 7 11.875 -10.661 2.962 1.00 0.00 C ATOM 97 C LYS A 7 12.442 -9.586 3.877 1.00 0.00 C ATOM 98 O LYS A 7 11.735 -8.662 4.264 1.00 0.00 O ATOM 99 CB LYS A 7 11.256 -11.797 3.783 1.00 0.00 C ATOM 100 CG LYS A 7 9.786 -12.063 3.468 1.00 0.00 C ATOM 101 CD LYS A 7 8.862 -10.944 3.978 1.00 0.00 C ATOM 102 CE LYS A 7 8.759 -10.940 5.497 1.00 0.00 C ATOM 103 NZ LYS A 7 7.772 -9.950 6.001 1.00 0.00 N ATOM 0 H LYS A 7 13.113 -12.162 2.197 1.00 0.00 H new ATOM 0 HA LYS A 7 11.090 -10.209 2.356 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.825 -12.710 3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.353 -11.560 4.842 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.662 -12.169 2.390 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.487 -13.010 3.918 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.238 -9.979 3.637 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.869 -11.069 3.547 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.477 -11.935 5.841 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.738 -10.721 5.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.766 -9.964 7.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.033 -9.000 5.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.825 -10.192 5.646 1.00 0.00 H new ATOM 117 N ASN A 8 13.711 -9.716 4.230 1.00 0.00 N ATOM 118 CA ASN A 8 14.392 -8.711 5.052 1.00 0.00 C ATOM 119 C ASN A 8 14.491 -7.397 4.277 1.00 0.00 C ATOM 120 O ASN A 8 14.236 -6.315 4.820 1.00 0.00 O ATOM 121 CB ASN A 8 15.799 -9.187 5.461 1.00 0.00 C ATOM 122 CG ASN A 8 16.532 -8.193 6.362 1.00 0.00 C ATOM 123 OD1 ASN A 8 15.925 -7.480 7.157 1.00 0.00 O ATOM 124 ND2 ASN A 8 17.829 -8.125 6.237 1.00 0.00 N ATOM 0 H ASN A 8 14.297 -10.507 3.963 1.00 0.00 H new ATOM 0 HA ASN A 8 13.810 -8.558 5.961 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.716 -10.143 5.978 1.00 0.00 H new ATOM 0 HB3 ASN A 8 16.392 -9.360 4.563 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.363 -7.469 6.807 1.00 0.00 H new ATOM 0 HD22 ASN A 8 18.309 -8.728 5.569 1.00 0.00 H new ATOM 131 N LYS A 9 14.843 -7.507 3.000 1.00 0.00 N ATOM 132 CA LYS A 9 14.911 -6.361 2.107 1.00 0.00 C ATOM 133 C LYS A 9 13.539 -5.719 1.956 1.00 0.00 C ATOM 134 O LYS A 9 13.418 -4.508 2.020 1.00 0.00 O ATOM 135 CB LYS A 9 15.489 -6.758 0.742 1.00 0.00 C ATOM 136 CG LYS A 9 16.972 -7.103 0.766 1.00 0.00 C ATOM 137 CD LYS A 9 17.813 -5.871 1.071 1.00 0.00 C ATOM 138 CE LYS A 9 19.296 -6.195 1.135 1.00 0.00 C ATOM 139 NZ LYS A 9 19.620 -7.115 2.245 1.00 0.00 N ATOM 0 H LYS A 9 15.088 -8.393 2.558 1.00 0.00 H new ATOM 0 HA LYS A 9 15.584 -5.625 2.548 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.934 -7.616 0.361 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.330 -5.939 0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.159 -7.870 1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.268 -7.521 -0.196 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.640 -5.115 0.305 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.495 -5.441 2.021 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.609 -6.642 0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 9 19.863 -5.272 1.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.652 -7.162 2.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.182 -6.768 3.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.254 -8.064 2.027 1.00 0.00 H new ATOM 153 N ILE A 10 12.521 -6.544 1.757 1.00 0.00 N ATOM 154 CA ILE A 10 11.123 -6.090 1.717 1.00 0.00 C ATOM 155 C ILE A 10 10.739 -5.335 2.981 1.00 0.00 C ATOM 156 O ILE A 10 10.173 -4.243 2.891 1.00 0.00 O ATOM 157 CB ILE A 10 10.149 -7.281 1.490 1.00 0.00 C ATOM 158 CG1 ILE A 10 10.303 -7.777 0.070 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.686 -6.901 1.781 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.476 -8.972 -0.269 1.00 0.00 C ATOM 0 H ILE A 10 12.632 -7.548 1.618 1.00 0.00 H new ATOM 0 HA ILE A 10 11.038 -5.405 0.874 1.00 0.00 H new ATOM 0 HB ILE A 10 10.407 -8.075 2.191 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.044 -6.968 -0.613 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.352 -8.017 -0.104 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.044 -7.765 1.608 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.593 -6.581 2.819 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.384 -6.087 1.122 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.653 -9.254 -1.307 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.749 -9.801 0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.421 -8.735 -0.132 1.00 0.00 H new ATOM 172 N GLU A 11 11.053 -5.894 4.144 1.00 0.00 N ATOM 173 CA GLU A 11 10.774 -5.222 5.407 1.00 0.00 C ATOM 174 C GLU A 11 11.439 -3.873 5.446 1.00 0.00 C ATOM 175 O GLU A 11 10.801 -2.867 5.748 1.00 0.00 O ATOM 176 CB GLU A 11 11.223 -6.051 6.606 1.00 0.00 C ATOM 177 CG GLU A 11 10.428 -7.311 6.810 1.00 0.00 C ATOM 178 CD GLU A 11 8.963 -7.027 6.950 1.00 0.00 C ATOM 179 OE1 GLU A 11 8.544 -6.480 7.996 1.00 0.00 O ATOM 180 OE2 GLU A 11 8.197 -7.318 6.017 1.00 0.00 O ATOM 0 H GLU A 11 11.499 -6.807 4.238 1.00 0.00 H new ATOM 0 HA GLU A 11 9.693 -5.096 5.470 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.274 -6.313 6.481 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.152 -5.439 7.505 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.589 -7.983 5.967 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.785 -7.826 7.702 1.00 0.00 H new ATOM 187 N ASN A 12 12.704 -3.860 5.093 1.00 0.00 N ATOM 188 CA ASN A 12 13.494 -2.647 5.061 1.00 0.00 C ATOM 189 C ASN A 12 12.921 -1.635 4.083 1.00 0.00 C ATOM 190 O ASN A 12 12.776 -0.484 4.421 1.00 0.00 O ATOM 191 CB ASN A 12 14.957 -2.955 4.713 1.00 0.00 C ATOM 192 CG ASN A 12 15.832 -1.709 4.681 1.00 0.00 C ATOM 193 OD1 ASN A 12 16.356 -1.287 5.711 1.00 0.00 O ATOM 194 ND2 ASN A 12 16.056 -1.160 3.520 1.00 0.00 N ATOM 0 H ASN A 12 13.219 -4.696 4.818 1.00 0.00 H new ATOM 0 HA ASN A 12 13.458 -2.209 6.059 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.359 -3.657 5.443 1.00 0.00 H new ATOM 0 HB3 ASN A 12 14.998 -3.447 3.741 1.00 0.00 H new ATOM 0 HD21 ASN A 12 16.681 -0.357 3.448 1.00 0.00 H new ATOM 0 HD22 ASN A 12 15.606 -1.533 2.684 1.00 0.00 H new ATOM 201 N LYS A 13 12.563 -2.094 2.895 1.00 0.00 N ATOM 202 CA LYS A 13 12.054 -1.231 1.835 1.00 0.00 C ATOM 203 C LYS A 13 10.726 -0.601 2.239 1.00 0.00 C ATOM 204 O LYS A 13 10.501 0.596 2.039 1.00 0.00 O ATOM 205 CB LYS A 13 11.874 -2.028 0.540 1.00 0.00 C ATOM 206 CG LYS A 13 11.714 -1.152 -0.696 1.00 0.00 C ATOM 207 CD LYS A 13 12.926 -0.298 -0.917 1.00 0.00 C ATOM 208 CE LYS A 13 14.176 -1.122 -1.053 1.00 0.00 C ATOM 209 NZ LYS A 13 15.330 -0.272 -1.257 1.00 0.00 N ATOM 0 H LYS A 13 12.616 -3.079 2.635 1.00 0.00 H new ATOM 0 HA LYS A 13 12.781 -0.436 1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.735 -2.682 0.403 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.998 -2.670 0.637 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.544 -1.780 -1.570 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.835 -0.518 -0.584 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.788 0.303 -1.816 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.038 0.396 -0.084 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.318 -1.727 -0.158 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.073 -1.812 -1.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.172 -0.862 -1.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.171 0.336 -2.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.477 0.321 -0.416 1.00 0.00 H new ATOM 223 N LYS A 14 9.863 -1.431 2.790 1.00 0.00 N ATOM 224 CA LYS A 14 8.584 -1.045 3.313 1.00 0.00 C ATOM 225 C LYS A 14 8.796 0.042 4.360 1.00 0.00 C ATOM 226 O LYS A 14 8.185 1.095 4.304 1.00 0.00 O ATOM 227 CB LYS A 14 7.949 -2.292 3.945 1.00 0.00 C ATOM 228 CG LYS A 14 6.568 -2.120 4.546 1.00 0.00 C ATOM 229 CD LYS A 14 6.044 -3.444 5.113 1.00 0.00 C ATOM 230 CE LYS A 14 6.896 -3.942 6.265 1.00 0.00 C ATOM 231 NZ LYS A 14 6.453 -5.268 6.778 1.00 0.00 N ATOM 0 H LYS A 14 10.048 -2.429 2.885 1.00 0.00 H new ATOM 0 HA LYS A 14 7.929 -0.655 2.534 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.895 -3.070 3.183 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.617 -2.656 4.725 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.603 -1.371 5.337 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.881 -1.749 3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.016 -3.313 5.452 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.026 -4.195 4.323 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.934 -4.011 5.940 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.864 -3.214 7.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.048 -5.544 7.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.461 -5.208 7.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.541 -5.979 6.024 1.00 0.00 H new ATOM 245 N LYS A 15 9.722 -0.219 5.272 1.00 0.00 N ATOM 246 CA LYS A 15 10.074 0.712 6.332 1.00 0.00 C ATOM 247 C LYS A 15 10.670 2.009 5.779 1.00 0.00 C ATOM 248 O LYS A 15 10.324 3.098 6.255 1.00 0.00 O ATOM 249 CB LYS A 15 11.000 0.038 7.337 1.00 0.00 C ATOM 250 CG LYS A 15 10.277 -0.950 8.247 1.00 0.00 C ATOM 251 CD LYS A 15 11.231 -1.971 8.839 1.00 0.00 C ATOM 252 CE LYS A 15 10.571 -2.812 9.920 1.00 0.00 C ATOM 253 NZ LYS A 15 10.232 -2.018 11.123 1.00 0.00 N ATOM 0 H LYS A 15 10.253 -1.089 5.296 1.00 0.00 H new ATOM 0 HA LYS A 15 9.160 0.997 6.853 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.791 -0.484 6.799 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.480 0.802 7.949 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.780 -0.407 9.051 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.500 -1.464 7.681 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.600 -2.623 8.047 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.096 -1.458 9.258 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.664 -3.267 9.520 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.239 -3.626 10.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.025 -2.659 11.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.035 -1.407 11.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.397 -1.430 10.927 1.00 0.00 H new ATOM 267 N GLU A 16 11.550 1.892 4.767 1.00 0.00 N ATOM 268 CA GLU A 16 12.119 3.057 4.082 1.00 0.00 C ATOM 269 C GLU A 16 11.000 3.941 3.554 1.00 0.00 C ATOM 270 O GLU A 16 11.027 5.169 3.720 1.00 0.00 O ATOM 271 CB GLU A 16 13.023 2.670 2.888 1.00 0.00 C ATOM 272 CG GLU A 16 14.353 2.015 3.202 1.00 0.00 C ATOM 273 CD GLU A 16 15.220 1.914 1.955 1.00 0.00 C ATOM 274 OE1 GLU A 16 15.912 2.891 1.625 1.00 0.00 O ATOM 275 OE2 GLU A 16 15.205 0.879 1.254 1.00 0.00 O ATOM 0 H GLU A 16 11.881 0.996 4.408 1.00 0.00 H new ATOM 0 HA GLU A 16 12.728 3.580 4.819 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.459 1.995 2.244 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.221 3.572 2.309 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.875 2.591 3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.184 1.020 3.613 1.00 0.00 H new ATOM 282 N LEU A 17 10.013 3.301 2.949 1.00 0.00 N ATOM 283 CA LEU A 17 8.878 3.978 2.376 1.00 0.00 C ATOM 284 C LEU A 17 8.051 4.635 3.438 1.00 0.00 C ATOM 285 O LEU A 17 7.654 5.795 3.278 1.00 0.00 O ATOM 286 CB LEU A 17 8.052 3.006 1.481 1.00 0.00 C ATOM 287 CG LEU A 17 6.606 3.393 1.074 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.613 3.125 2.170 1.00 0.00 C ATOM 289 CD2 LEU A 17 6.510 4.817 0.542 1.00 0.00 C ATOM 0 H LEU A 17 9.984 2.287 2.845 1.00 0.00 H new ATOM 0 HA LEU A 17 9.237 4.777 1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.618 2.844 0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.002 2.048 1.998 1.00 0.00 H new ATOM 0 HG LEU A 17 6.337 2.738 0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.616 3.413 1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.621 2.063 2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.881 3.705 3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.477 5.036 0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.840 5.516 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.145 4.920 -0.338 1.00 0.00 H new ATOM 301 N ILE A 18 7.786 3.909 4.515 1.00 0.00 N ATOM 302 CA ILE A 18 6.982 4.439 5.591 1.00 0.00 C ATOM 303 C ILE A 18 7.603 5.719 6.100 1.00 0.00 C ATOM 304 O ILE A 18 6.913 6.662 6.357 1.00 0.00 O ATOM 305 CB ILE A 18 6.779 3.440 6.754 1.00 0.00 C ATOM 306 CG1 ILE A 18 6.126 2.165 6.234 1.00 0.00 C ATOM 307 CG2 ILE A 18 5.878 4.077 7.822 1.00 0.00 C ATOM 308 CD1 ILE A 18 6.178 1.013 7.201 1.00 0.00 C ATOM 0 H ILE A 18 8.118 2.955 4.661 1.00 0.00 H new ATOM 0 HA ILE A 18 5.990 4.636 5.184 1.00 0.00 H new ATOM 0 HB ILE A 18 7.747 3.194 7.190 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.084 2.375 5.991 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.616 1.870 5.306 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.734 3.374 8.643 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.348 4.985 8.200 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.912 4.325 7.382 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.693 0.143 6.757 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.217 0.773 7.426 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.661 1.287 8.121 1.00 0.00 H new ATOM 320 N GLN A 19 8.923 5.746 6.175 1.00 0.00 N ATOM 321 CA GLN A 19 9.647 6.944 6.560 1.00 0.00 C ATOM 322 C GLN A 19 9.307 8.133 5.640 1.00 0.00 C ATOM 323 O GLN A 19 9.055 9.240 6.139 1.00 0.00 O ATOM 324 CB GLN A 19 11.141 6.690 6.571 1.00 0.00 C ATOM 325 CG GLN A 19 11.576 5.668 7.601 1.00 0.00 C ATOM 326 CD GLN A 19 13.062 5.377 7.528 1.00 0.00 C ATOM 327 OE1 GLN A 19 13.673 5.459 6.466 1.00 0.00 O ATOM 328 NE2 GLN A 19 13.648 5.022 8.632 1.00 0.00 N ATOM 0 H GLN A 19 9.519 4.943 5.972 1.00 0.00 H new ATOM 0 HA GLN A 19 9.332 7.206 7.570 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.451 6.351 5.582 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.659 7.630 6.763 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.327 6.031 8.598 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.019 4.743 7.451 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.112 4.964 9.498 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.644 4.802 8.633 1.00 0.00 H new ATOM 337 N LEU A 20 9.255 7.903 4.317 1.00 0.00 N ATOM 338 CA LEU A 20 8.896 8.979 3.383 1.00 0.00 C ATOM 339 C LEU A 20 7.440 9.407 3.558 1.00 0.00 C ATOM 340 O LEU A 20 7.155 10.592 3.724 1.00 0.00 O ATOM 341 CB LEU A 20 9.141 8.660 1.879 1.00 0.00 C ATOM 342 CG LEU A 20 10.577 8.549 1.346 1.00 0.00 C ATOM 343 CD1 LEU A 20 11.519 9.537 1.993 1.00 0.00 C ATOM 344 CD2 LEU A 20 11.107 7.129 1.333 1.00 0.00 C ATOM 0 H LEU A 20 9.452 7.003 3.879 1.00 0.00 H new ATOM 0 HA LEU A 20 9.576 9.789 3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.640 7.717 1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.637 9.431 1.297 1.00 0.00 H new ATOM 0 HG LEU A 20 10.525 8.837 0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 20 12.519 9.412 1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.170 10.552 1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.549 9.361 3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.126 7.124 0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.103 6.730 2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.474 6.510 0.697 1.00 0.00 H new ATOM 356 N VAL A 21 6.511 8.459 3.527 1.00 0.00 N ATOM 357 CA VAL A 21 5.103 8.819 3.666 1.00 0.00 C ATOM 358 C VAL A 21 4.755 9.372 5.070 1.00 0.00 C ATOM 359 O VAL A 21 3.921 10.250 5.200 1.00 0.00 O ATOM 360 CB VAL A 21 4.149 7.686 3.194 1.00 0.00 C ATOM 361 CG1 VAL A 21 4.447 6.389 3.857 1.00 0.00 C ATOM 362 CG2 VAL A 21 2.679 8.056 3.322 1.00 0.00 C ATOM 0 H VAL A 21 6.697 7.463 3.410 1.00 0.00 H new ATOM 0 HA VAL A 21 4.933 9.651 2.983 1.00 0.00 H new ATOM 0 HB VAL A 21 4.343 7.559 2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.755 5.628 3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.469 6.089 3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.336 6.498 4.936 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.063 7.225 2.977 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.447 8.271 4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.472 8.938 2.715 1.00 0.00 H new ATOM 372 N ALA A 22 5.433 8.896 6.088 1.00 0.00 N ATOM 373 CA ALA A 22 5.236 9.375 7.456 1.00 0.00 C ATOM 374 C ALA A 22 5.539 10.860 7.560 1.00 0.00 C ATOM 375 O ALA A 22 4.722 11.635 8.065 1.00 0.00 O ATOM 376 CB ALA A 22 6.110 8.602 8.433 1.00 0.00 C ATOM 0 H ALA A 22 6.139 8.165 6.002 1.00 0.00 H new ATOM 0 HA ALA A 22 4.190 9.211 7.715 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.946 8.977 9.443 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.853 7.544 8.392 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.158 8.731 8.164 1.00 0.00 H new ATOM 382 N ARG A 23 6.692 11.261 7.014 1.00 0.00 N ATOM 383 CA ARG A 23 7.131 12.649 7.080 1.00 0.00 C ATOM 384 C ARG A 23 6.276 13.548 6.198 1.00 0.00 C ATOM 385 O ARG A 23 6.274 14.766 6.378 1.00 0.00 O ATOM 386 CB ARG A 23 8.630 12.804 6.755 1.00 0.00 C ATOM 387 CG ARG A 23 9.031 12.378 5.357 1.00 0.00 C ATOM 388 CD ARG A 23 10.520 12.558 5.116 1.00 0.00 C ATOM 389 NE ARG A 23 10.931 13.969 5.211 1.00 0.00 N ATOM 390 CZ ARG A 23 12.198 14.410 5.137 1.00 0.00 C ATOM 391 NH1 ARG A 23 13.196 13.554 4.930 1.00 0.00 N ATOM 392 NH2 ARG A 23 12.455 15.706 5.259 1.00 0.00 N ATOM 0 H ARG A 23 7.335 10.640 6.522 1.00 0.00 H new ATOM 0 HA ARG A 23 6.996 12.972 8.112 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.910 13.848 6.895 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.204 12.221 7.475 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.762 11.333 5.205 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.472 12.961 4.625 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.078 11.969 5.844 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.776 12.172 4.129 1.00 0.00 H new ATOM 0 HE ARG A 23 10.197 14.665 5.343 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.001 12.558 4.827 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.156 13.894 4.875 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.691 16.365 5.409 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.416 16.043 5.203 1.00 0.00 H new ATOM 406 N HIS A 24 5.570 12.939 5.233 1.00 0.00 N ATOM 407 CA HIS A 24 4.648 13.657 4.346 1.00 0.00 C ATOM 408 C HIS A 24 3.682 14.501 5.170 1.00 0.00 C ATOM 409 O HIS A 24 3.623 15.724 5.011 1.00 0.00 O ATOM 410 CB HIS A 24 3.864 12.663 3.447 1.00 0.00 C ATOM 411 CG HIS A 24 2.787 13.293 2.592 1.00 0.00 C ATOM 412 ND1 HIS A 24 1.471 13.455 2.989 1.00 0.00 N ATOM 413 CD2 HIS A 24 2.861 13.819 1.355 1.00 0.00 C ATOM 414 CE1 HIS A 24 0.816 14.061 2.000 1.00 0.00 C ATOM 415 NE2 HIS A 24 1.614 14.305 0.982 1.00 0.00 N ATOM 0 H HIS A 24 5.623 11.937 5.048 1.00 0.00 H new ATOM 0 HA HIS A 24 5.230 14.314 3.700 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.571 12.149 2.796 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.406 11.904 4.082 1.00 0.00 H new ATOM 0 HD2 HIS A 24 3.752 13.857 0.746 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.232 14.318 2.030 1.00 0.00 H new ATOM 0 HE2 HIS A 24 1.368 14.757 0.102 1.00 0.00 H new ATOM 423 N GLY A 25 2.981 13.853 6.077 1.00 0.00 N ATOM 424 CA GLY A 25 2.022 14.554 6.899 1.00 0.00 C ATOM 425 C GLY A 25 1.194 13.631 7.750 1.00 0.00 C ATOM 426 O GLY A 25 0.129 14.004 8.229 1.00 0.00 O ATOM 0 H GLY A 25 3.057 12.853 6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.549 15.258 7.543 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.362 15.140 6.259 1.00 0.00 H new ATOM 430 N LEU A 26 1.645 12.409 7.900 1.00 0.00 N ATOM 431 CA LEU A 26 0.995 11.462 8.719 1.00 0.00 C ATOM 432 C LEU A 26 1.272 11.698 10.176 1.00 0.00 C ATOM 433 O LEU A 26 2.366 12.132 10.567 1.00 0.00 O ATOM 434 CB LEU A 26 1.408 10.061 8.325 1.00 0.00 C ATOM 435 CG LEU A 26 0.681 9.464 7.130 1.00 0.00 C ATOM 436 CD1 LEU A 26 0.927 10.186 5.827 1.00 0.00 C ATOM 437 CD2 LEU A 26 0.932 7.989 7.023 1.00 0.00 C ATOM 0 H LEU A 26 2.486 12.057 7.443 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.078 11.576 8.568 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.477 10.065 8.110 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.258 9.404 9.182 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.381 9.612 7.325 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.371 9.695 5.028 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.596 11.221 5.916 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.992 10.165 5.595 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.399 7.591 6.159 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.001 7.809 6.905 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.579 7.493 7.927 1.00 0.00 H new ATOM 449 N ASP A 27 0.277 11.420 10.969 1.00 0.00 N ATOM 450 CA ASP A 27 0.384 11.530 12.412 1.00 0.00 C ATOM 451 C ASP A 27 1.009 10.247 12.904 1.00 0.00 C ATOM 452 O ASP A 27 1.175 9.300 12.123 1.00 0.00 O ATOM 453 CB ASP A 27 -0.995 11.633 13.089 1.00 0.00 C ATOM 454 CG ASP A 27 -1.932 12.660 12.517 1.00 0.00 C ATOM 455 OD1 ASP A 27 -1.805 13.849 12.826 1.00 0.00 O ATOM 456 OD2 ASP A 27 -2.862 12.275 11.765 1.00 0.00 O ATOM 0 H ASP A 27 -0.637 11.109 10.641 1.00 0.00 H new ATOM 0 HA ASP A 27 0.962 12.423 12.650 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.479 10.658 13.035 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.844 11.855 14.145 1.00 0.00 H new ATOM 461 N HIS A 28 1.288 10.175 14.183 1.00 0.00 N ATOM 462 CA HIS A 28 1.851 8.970 14.785 1.00 0.00 C ATOM 463 C HIS A 28 0.895 7.795 14.576 1.00 0.00 C ATOM 464 O HIS A 28 1.297 6.705 14.164 1.00 0.00 O ATOM 465 CB HIS A 28 2.152 9.184 16.297 1.00 0.00 C ATOM 466 CG HIS A 28 0.957 9.438 17.197 1.00 0.00 C ATOM 467 ND1 HIS A 28 0.393 10.676 17.421 1.00 0.00 N ATOM 468 CD2 HIS A 28 0.222 8.559 17.922 1.00 0.00 C ATOM 469 CE1 HIS A 28 -0.642 10.514 18.252 1.00 0.00 C ATOM 470 NE2 HIS A 28 -0.790 9.239 18.585 1.00 0.00 N ATOM 0 H HIS A 28 1.136 10.940 14.840 1.00 0.00 H new ATOM 0 HA HIS A 28 2.798 8.745 14.295 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.677 8.304 16.668 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.836 10.027 16.392 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.397 7.495 17.975 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.274 11.316 18.605 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -1.500 8.841 19.200 1.00 0.00 H new ATOM 478 N ASP A 29 -0.381 8.072 14.804 1.00 0.00 N ATOM 479 CA ASP A 29 -1.453 7.102 14.644 1.00 0.00 C ATOM 480 C ASP A 29 -1.571 6.670 13.205 1.00 0.00 C ATOM 481 O ASP A 29 -1.833 5.510 12.924 1.00 0.00 O ATOM 482 CB ASP A 29 -2.808 7.646 15.148 1.00 0.00 C ATOM 483 CG ASP A 29 -3.362 8.835 14.366 1.00 0.00 C ATOM 484 OD1 ASP A 29 -3.021 9.975 14.699 1.00 0.00 O ATOM 485 OD2 ASP A 29 -4.175 8.641 13.421 1.00 0.00 O ATOM 0 H ASP A 29 -0.704 8.990 15.110 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.195 6.238 15.256 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.540 6.839 15.117 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.699 7.938 16.193 1.00 0.00 H new ATOM 490 N LYS A 30 -1.327 7.597 12.305 1.00 0.00 N ATOM 491 CA LYS A 30 -1.394 7.324 10.881 1.00 0.00 C ATOM 492 C LYS A 30 -0.294 6.403 10.448 1.00 0.00 C ATOM 493 O LYS A 30 -0.526 5.515 9.666 1.00 0.00 O ATOM 494 CB LYS A 30 -1.346 8.594 10.048 1.00 0.00 C ATOM 495 CG LYS A 30 -2.508 9.528 10.242 1.00 0.00 C ATOM 496 CD LYS A 30 -3.828 8.857 9.954 1.00 0.00 C ATOM 497 CE LYS A 30 -4.982 9.812 10.196 1.00 0.00 C ATOM 498 NZ LYS A 30 -4.893 10.442 11.536 1.00 0.00 N ATOM 0 H LYS A 30 -1.077 8.559 12.535 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.355 6.839 10.711 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.426 9.130 10.283 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.294 8.318 8.995 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.507 9.900 11.267 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.391 10.393 9.589 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.847 8.511 8.921 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.939 7.977 10.587 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.983 10.586 9.428 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.926 9.274 10.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.850 10.655 11.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.422 9.790 12.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.345 11.323 11.470 1.00 0.00 H new ATOM 512 N VAL A 31 0.899 6.610 10.970 1.00 0.00 N ATOM 513 CA VAL A 31 2.033 5.772 10.630 1.00 0.00 C ATOM 514 C VAL A 31 1.773 4.347 11.109 1.00 0.00 C ATOM 515 O VAL A 31 2.072 3.377 10.406 1.00 0.00 O ATOM 516 CB VAL A 31 3.354 6.332 11.231 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.547 5.459 10.873 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.576 7.754 10.748 1.00 0.00 C ATOM 0 H VAL A 31 1.109 7.355 11.634 1.00 0.00 H new ATOM 0 HA VAL A 31 2.152 5.768 9.547 1.00 0.00 H new ATOM 0 HB VAL A 31 3.260 6.329 12.317 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.452 5.882 11.310 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.392 4.453 11.263 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.654 5.416 9.789 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.502 8.142 11.172 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.643 7.762 9.660 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.742 8.380 11.065 1.00 0.00 H new ATOM 528 N LEU A 32 1.167 4.237 12.280 1.00 0.00 N ATOM 529 CA LEU A 32 0.805 2.951 12.846 1.00 0.00 C ATOM 530 C LEU A 32 -0.282 2.287 12.001 1.00 0.00 C ATOM 531 O LEU A 32 -0.166 1.120 11.635 1.00 0.00 O ATOM 532 CB LEU A 32 0.329 3.119 14.287 1.00 0.00 C ATOM 533 CG LEU A 32 1.332 3.757 15.253 1.00 0.00 C ATOM 534 CD1 LEU A 32 0.739 3.867 16.637 1.00 0.00 C ATOM 535 CD2 LEU A 32 2.638 2.975 15.285 1.00 0.00 C ATOM 0 H LEU A 32 0.913 5.035 12.862 1.00 0.00 H new ATOM 0 HA LEU A 32 1.687 2.310 12.845 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.577 3.725 14.282 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.054 2.138 14.675 1.00 0.00 H new ATOM 0 HG LEU A 32 1.554 4.762 14.893 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.466 4.322 17.309 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.158 4.485 16.600 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.480 2.873 17.002 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.330 3.451 15.979 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.443 1.953 15.611 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.077 2.960 14.288 1.00 0.00 H new ATOM 547 N LEU A 33 -1.321 3.050 11.673 1.00 0.00 N ATOM 548 CA LEU A 33 -2.425 2.556 10.849 1.00 0.00 C ATOM 549 C LEU A 33 -1.937 2.159 9.470 1.00 0.00 C ATOM 550 O LEU A 33 -2.301 1.103 8.959 1.00 0.00 O ATOM 551 CB LEU A 33 -3.538 3.603 10.722 1.00 0.00 C ATOM 552 CG LEU A 33 -4.299 3.963 11.997 1.00 0.00 C ATOM 553 CD1 LEU A 33 -5.280 5.090 11.723 1.00 0.00 C ATOM 554 CD2 LEU A 33 -5.027 2.748 12.552 1.00 0.00 C ATOM 0 H LEU A 33 -1.423 4.021 11.967 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.832 1.676 11.347 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.100 4.516 10.319 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.259 3.244 9.987 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.580 4.299 12.744 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.816 5.337 12.640 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.737 5.968 11.372 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.992 4.775 10.960 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.562 3.028 13.460 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.737 2.379 11.811 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.305 1.965 12.783 1.00 0.00 H new ATOM 566 N PHE A 34 -1.099 2.997 8.893 1.00 0.00 N ATOM 567 CA PHE A 34 -0.555 2.758 7.583 1.00 0.00 C ATOM 568 C PHE A 34 0.269 1.509 7.560 1.00 0.00 C ATOM 569 O PHE A 34 -0.016 0.622 6.795 1.00 0.00 O ATOM 570 CB PHE A 34 0.268 3.956 7.087 1.00 0.00 C ATOM 571 CG PHE A 34 0.969 3.718 5.776 1.00 0.00 C ATOM 572 CD1 PHE A 34 0.251 3.538 4.608 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.351 3.679 5.711 1.00 0.00 C ATOM 574 CE1 PHE A 34 0.887 3.327 3.414 1.00 0.00 C ATOM 575 CE2 PHE A 34 2.989 3.462 4.509 1.00 0.00 C ATOM 576 CZ PHE A 34 2.253 3.287 3.364 1.00 0.00 C ATOM 0 H PHE A 34 -0.779 3.864 9.326 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.397 2.625 6.903 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.391 4.818 6.983 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.011 4.211 7.843 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.828 3.564 4.638 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.934 3.820 6.609 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.310 3.192 2.511 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.068 3.430 4.468 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.753 3.117 2.422 1.00 0.00 H new ATOM 586 N SER A 35 1.251 1.421 8.441 1.00 0.00 N ATOM 587 CA SER A 35 2.162 0.300 8.448 1.00 0.00 C ATOM 588 C SER A 35 1.450 -1.036 8.643 1.00 0.00 C ATOM 589 O SER A 35 1.800 -2.015 8.001 1.00 0.00 O ATOM 590 CB SER A 35 3.281 0.510 9.471 1.00 0.00 C ATOM 591 OG SER A 35 2.767 0.798 10.763 1.00 0.00 O ATOM 0 H SER A 35 1.434 2.119 9.162 1.00 0.00 H new ATOM 0 HA SER A 35 2.619 0.253 7.460 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.903 -0.384 9.518 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.923 1.328 9.145 1.00 0.00 H new ATOM 0 HG SER A 35 2.479 1.734 10.799 1.00 0.00 H new ATOM 597 N ARG A 36 0.425 -1.059 9.480 1.00 0.00 N ATOM 598 CA ARG A 36 -0.307 -2.286 9.732 1.00 0.00 C ATOM 599 C ARG A 36 -1.211 -2.651 8.536 1.00 0.00 C ATOM 600 O ARG A 36 -1.307 -3.819 8.161 1.00 0.00 O ATOM 601 CB ARG A 36 -1.099 -2.193 11.055 1.00 0.00 C ATOM 602 CG ARG A 36 -2.287 -1.252 11.017 1.00 0.00 C ATOM 603 CD ARG A 36 -2.742 -0.836 12.401 1.00 0.00 C ATOM 604 NE ARG A 36 -3.060 -1.956 13.285 1.00 0.00 N ATOM 605 CZ ARG A 36 -3.920 -1.894 14.309 1.00 0.00 C ATOM 606 NH1 ARG A 36 -4.763 -0.863 14.429 1.00 0.00 N ATOM 607 NH2 ARG A 36 -3.975 -2.890 15.175 1.00 0.00 N ATOM 0 H ARG A 36 0.084 -0.246 9.993 1.00 0.00 H new ATOM 0 HA ARG A 36 0.413 -3.097 9.844 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.450 -3.189 11.323 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.422 -1.870 11.846 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.025 -0.364 10.442 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.113 -1.736 10.497 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.960 -0.233 12.863 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.622 -0.200 12.307 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.594 -2.846 13.109 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.755 -0.114 13.736 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.414 -0.825 15.213 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.365 -3.699 15.061 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.628 -2.850 15.958 1.00 0.00 H new ATOM 621 N ASP A 37 -1.815 -1.639 7.906 1.00 0.00 N ATOM 622 CA ASP A 37 -2.745 -1.857 6.783 1.00 0.00 C ATOM 623 C ASP A 37 -1.931 -2.239 5.547 1.00 0.00 C ATOM 624 O ASP A 37 -2.277 -3.157 4.797 1.00 0.00 O ATOM 625 CB ASP A 37 -3.583 -0.576 6.545 1.00 0.00 C ATOM 626 CG ASP A 37 -4.861 -0.802 5.748 1.00 0.00 C ATOM 627 OD1 ASP A 37 -5.417 -1.917 5.795 1.00 0.00 O ATOM 628 OD2 ASP A 37 -5.377 0.162 5.141 1.00 0.00 O ATOM 0 H ASP A 37 -1.679 -0.658 8.151 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.440 -2.666 7.007 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.843 -0.141 7.510 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.967 0.155 6.022 1.00 0.00 H new ATOM 633 N LEU A 38 -0.810 -1.560 5.403 1.00 0.00 N ATOM 634 CA LEU A 38 0.200 -1.818 4.382 1.00 0.00 C ATOM 635 C LEU A 38 0.744 -3.233 4.520 1.00 0.00 C ATOM 636 O LEU A 38 0.787 -3.987 3.551 1.00 0.00 O ATOM 637 CB LEU A 38 1.333 -0.790 4.569 1.00 0.00 C ATOM 638 CG LEU A 38 2.695 -1.062 3.932 1.00 0.00 C ATOM 639 CD1 LEU A 38 2.631 -1.085 2.439 1.00 0.00 C ATOM 640 CD2 LEU A 38 3.697 -0.037 4.404 1.00 0.00 C ATOM 0 H LEU A 38 -0.563 -0.782 6.015 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.237 -1.724 3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.976 0.166 4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.490 -0.665 5.640 1.00 0.00 H new ATOM 0 HG LEU A 38 3.014 -2.055 4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.624 -1.282 2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.946 -1.869 2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.276 -0.121 2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.666 -0.237 3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.360 0.960 4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.790 -0.092 5.489 1.00 0.00 H new ATOM 652 N ASP A 39 1.145 -3.585 5.731 1.00 0.00 N ATOM 653 CA ASP A 39 1.716 -4.900 6.021 1.00 0.00 C ATOM 654 C ASP A 39 0.730 -6.008 5.666 1.00 0.00 C ATOM 655 O ASP A 39 1.105 -7.002 5.058 1.00 0.00 O ATOM 656 CB ASP A 39 2.124 -4.988 7.493 1.00 0.00 C ATOM 657 CG ASP A 39 2.893 -6.237 7.838 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.125 -6.275 7.597 1.00 0.00 O ATOM 659 OD2 ASP A 39 2.307 -7.170 8.407 1.00 0.00 O ATOM 0 H ASP A 39 1.086 -2.971 6.543 1.00 0.00 H new ATOM 0 HA ASP A 39 2.607 -5.033 5.407 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.731 -4.118 7.745 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.228 -4.942 8.112 1.00 0.00 H new ATOM 664 N LYS A 40 -0.550 -5.793 5.990 1.00 0.00 N ATOM 665 CA LYS A 40 -1.600 -6.771 5.672 1.00 0.00 C ATOM 666 C LYS A 40 -1.745 -6.952 4.171 1.00 0.00 C ATOM 667 O LYS A 40 -1.895 -8.080 3.686 1.00 0.00 O ATOM 668 CB LYS A 40 -2.953 -6.378 6.260 1.00 0.00 C ATOM 669 CG LYS A 40 -3.029 -6.431 7.775 1.00 0.00 C ATOM 670 CD LYS A 40 -4.425 -6.099 8.286 1.00 0.00 C ATOM 671 CE LYS A 40 -4.849 -4.680 7.925 1.00 0.00 C ATOM 672 NZ LYS A 40 -6.201 -4.367 8.419 1.00 0.00 N ATOM 0 H LYS A 40 -0.884 -4.957 6.469 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.287 -7.712 6.125 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.195 -5.367 5.933 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.717 -7.037 5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.744 -7.426 8.118 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.311 -5.729 8.199 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.141 -6.807 7.869 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.452 -6.220 9.369 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.136 -3.970 8.345 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.821 -4.557 6.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.451 -3.393 8.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.886 -5.028 7.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.222 -4.459 9.455 1.00 0.00 H new ATOM 686 N LEU A 41 -1.703 -5.843 3.446 1.00 0.00 N ATOM 687 CA LEU A 41 -1.798 -5.861 1.997 1.00 0.00 C ATOM 688 C LEU A 41 -0.623 -6.625 1.402 1.00 0.00 C ATOM 689 O LEU A 41 -0.797 -7.464 0.512 1.00 0.00 O ATOM 690 CB LEU A 41 -1.842 -4.433 1.444 1.00 0.00 C ATOM 691 CG LEU A 41 -1.858 -4.294 -0.083 1.00 0.00 C ATOM 692 CD1 LEU A 41 -3.077 -4.976 -0.688 1.00 0.00 C ATOM 693 CD2 LEU A 41 -1.808 -2.832 -0.480 1.00 0.00 C ATOM 0 H LEU A 41 -1.602 -4.910 3.846 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.722 -6.367 1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.729 -3.940 1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.977 -3.891 1.827 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.972 -4.792 -0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.059 -4.859 -1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.063 -6.037 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.984 -4.521 -0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.820 -2.749 -1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.673 -2.313 -0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.895 -2.381 -0.092 1.00 0.00 H new ATOM 705 N ILE A 42 0.550 -6.358 1.922 1.00 0.00 N ATOM 706 CA ILE A 42 1.753 -7.016 1.467 1.00 0.00 C ATOM 707 C ILE A 42 1.674 -8.515 1.737 1.00 0.00 C ATOM 708 O ILE A 42 1.761 -9.306 0.806 1.00 0.00 O ATOM 709 CB ILE A 42 3.038 -6.383 2.086 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.159 -4.928 1.631 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.285 -7.157 1.685 1.00 0.00 C ATOM 712 CD1 ILE A 42 4.396 -4.222 2.126 1.00 0.00 C ATOM 0 H ILE A 42 0.699 -5.681 2.670 1.00 0.00 H new ATOM 0 HA ILE A 42 1.827 -6.868 0.390 1.00 0.00 H new ATOM 0 HB ILE A 42 2.953 -6.425 3.172 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.150 -4.899 0.541 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.281 -4.379 1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.163 -6.690 2.133 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.203 -8.186 2.035 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.384 -7.150 0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.402 -3.196 1.757 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.400 -4.215 3.216 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.282 -4.743 1.763 1.00 0.00 H new ATOM 724 N ASN A 43 1.416 -8.889 2.989 1.00 0.00 N ATOM 725 CA ASN A 43 1.301 -10.313 3.407 1.00 0.00 C ATOM 726 C ASN A 43 0.245 -11.055 2.593 1.00 0.00 C ATOM 727 O ASN A 43 0.346 -12.272 2.372 1.00 0.00 O ATOM 728 CB ASN A 43 0.955 -10.450 4.905 1.00 0.00 C ATOM 729 CG ASN A 43 2.018 -9.906 5.841 1.00 0.00 C ATOM 730 OD1 ASN A 43 3.212 -9.896 5.524 1.00 0.00 O ATOM 731 ND2 ASN A 43 1.605 -9.498 7.011 1.00 0.00 N ATOM 0 H ASN A 43 1.279 -8.226 3.752 1.00 0.00 H new ATOM 0 HA ASN A 43 2.279 -10.758 3.225 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.016 -9.931 5.099 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.790 -11.503 5.133 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.277 -9.156 7.698 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.611 -9.521 7.237 1.00 0.00 H new ATOM 738 N LYS A 44 -0.760 -10.324 2.149 1.00 0.00 N ATOM 739 CA LYS A 44 -1.835 -10.867 1.338 1.00 0.00 C ATOM 740 C LYS A 44 -1.293 -11.322 -0.015 1.00 0.00 C ATOM 741 O LYS A 44 -1.599 -12.415 -0.488 1.00 0.00 O ATOM 742 CB LYS A 44 -2.914 -9.803 1.128 1.00 0.00 C ATOM 743 CG LYS A 44 -4.184 -10.303 0.457 1.00 0.00 C ATOM 744 CD LYS A 44 -5.166 -9.172 0.203 1.00 0.00 C ATOM 745 CE LYS A 44 -5.649 -8.511 1.498 1.00 0.00 C ATOM 746 NZ LYS A 44 -6.374 -9.450 2.400 1.00 0.00 N ATOM 0 H LYS A 44 -0.855 -9.327 2.343 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.268 -11.724 1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.176 -9.376 2.096 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.496 -8.996 0.526 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.931 -10.785 -0.487 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.654 -11.059 1.085 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.694 -8.421 -0.430 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.025 -9.558 -0.346 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.792 -8.096 2.029 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.305 -7.676 1.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.777 -8.921 3.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.139 -9.917 1.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.712 -10.168 2.758 1.00 0.00 H new ATOM 760 N PHE A 45 -0.477 -10.488 -0.610 1.00 0.00 N ATOM 761 CA PHE A 45 0.098 -10.783 -1.899 1.00 0.00 C ATOM 762 C PHE A 45 1.298 -11.707 -1.804 1.00 0.00 C ATOM 763 O PHE A 45 1.492 -12.556 -2.668 1.00 0.00 O ATOM 764 CB PHE A 45 0.404 -9.509 -2.684 1.00 0.00 C ATOM 765 CG PHE A 45 -0.824 -8.910 -3.320 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.688 -8.096 -2.603 1.00 0.00 C ATOM 767 CD2 PHE A 45 -1.118 -9.181 -4.648 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.814 -7.564 -3.200 1.00 0.00 C ATOM 769 CE2 PHE A 45 -2.240 -8.651 -5.247 1.00 0.00 C ATOM 770 CZ PHE A 45 -3.091 -7.842 -4.524 1.00 0.00 C ATOM 0 H PHE A 45 -0.194 -9.590 -0.217 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.657 -11.331 -2.463 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.857 -8.776 -2.017 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.138 -9.732 -3.459 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.478 -7.876 -1.567 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.458 -9.816 -5.221 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.478 -6.930 -2.631 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.453 -8.869 -6.283 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.972 -7.427 -4.992 1.00 0.00 H new ATOM 780 N MET A 46 2.058 -11.598 -0.720 1.00 0.00 N ATOM 781 CA MET A 46 3.254 -12.453 -0.520 1.00 0.00 C ATOM 782 C MET A 46 2.828 -13.891 -0.291 1.00 0.00 C ATOM 783 O MET A 46 3.616 -14.830 -0.470 1.00 0.00 O ATOM 784 CB MET A 46 4.066 -12.018 0.699 1.00 0.00 C ATOM 785 CG MET A 46 4.437 -10.561 0.728 1.00 0.00 C ATOM 786 SD MET A 46 5.792 -10.218 1.838 1.00 0.00 S ATOM 787 CE MET A 46 7.082 -11.004 0.911 1.00 0.00 C ATOM 0 H MET A 46 1.881 -10.936 0.036 1.00 0.00 H new ATOM 0 HA MET A 46 3.866 -12.357 -1.417 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.496 -12.250 1.598 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.980 -12.611 0.739 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.706 -10.239 -0.278 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.569 -9.975 1.029 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.051 -10.654 1.267 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.016 -12.084 1.040 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.973 -10.758 -0.145 1.00 0.00 H new ATOM 797 N ASN A 47 1.569 -14.031 0.096 1.00 0.00 N ATOM 798 CA ASN A 47 0.921 -15.286 0.434 1.00 0.00 C ATOM 799 C ASN A 47 1.372 -15.786 1.793 1.00 0.00 C ATOM 800 O ASN A 47 2.126 -16.752 1.923 1.00 0.00 O ATOM 801 CB ASN A 47 1.021 -16.368 -0.672 1.00 0.00 C ATOM 802 CG ASN A 47 0.264 -17.652 -0.331 1.00 0.00 C ATOM 803 OD1 ASN A 47 -0.746 -17.631 0.385 1.00 0.00 O ATOM 804 ND2 ASN A 47 0.724 -18.757 -0.849 1.00 0.00 N ATOM 0 H ASN A 47 0.942 -13.232 0.187 1.00 0.00 H new ATOM 0 HA ASN A 47 -0.145 -15.070 0.500 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.631 -15.961 -1.605 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.071 -16.607 -0.843 1.00 0.00 H new ATOM 0 HD21 ASN A 47 0.249 -19.641 -0.669 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.559 -18.737 -1.434 1.00 0.00 H new ATOM 811 N VAL A 48 1.004 -15.027 2.794 1.00 0.00 N ATOM 812 CA VAL A 48 1.223 -15.393 4.167 1.00 0.00 C ATOM 813 C VAL A 48 -0.115 -15.751 4.703 1.00 0.00 C ATOM 814 O VAL A 48 -1.029 -14.913 4.742 1.00 0.00 O ATOM 815 CB VAL A 48 1.794 -14.233 5.000 1.00 0.00 C ATOM 816 CG1 VAL A 48 2.115 -14.680 6.427 1.00 0.00 C ATOM 817 CG2 VAL A 48 3.012 -13.639 4.333 1.00 0.00 C ATOM 0 H VAL A 48 0.539 -14.127 2.675 1.00 0.00 H new ATOM 0 HA VAL A 48 1.946 -16.207 4.223 1.00 0.00 H new ATOM 0 HB VAL A 48 1.029 -13.459 5.060 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.517 -13.838 6.990 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.206 -15.038 6.909 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.852 -15.483 6.400 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.397 -12.821 4.941 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.780 -14.406 4.228 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.739 -13.261 3.348 1.00 0.00 H new ATOM 827 N LYS A 49 -0.252 -16.958 5.103 1.00 0.00 N ATOM 828 CA LYS A 49 -1.542 -17.473 5.485 1.00 0.00 C ATOM 829 C LYS A 49 -1.780 -17.309 6.970 1.00 0.00 C ATOM 830 O LYS A 49 -2.812 -17.716 7.503 1.00 0.00 O ATOM 831 CB LYS A 49 -1.655 -18.925 5.043 1.00 0.00 C ATOM 832 CG LYS A 49 -1.460 -19.105 3.535 1.00 0.00 C ATOM 833 CD LYS A 49 -1.342 -20.571 3.126 1.00 0.00 C ATOM 834 CE LYS A 49 -0.109 -21.229 3.742 1.00 0.00 C ATOM 835 NZ LYS A 49 0.075 -22.610 3.266 1.00 0.00 N ATOM 0 H LYS A 49 0.514 -17.627 5.180 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.322 -16.899 4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.912 -19.520 5.574 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.634 -19.311 5.326 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.299 -18.652 3.008 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.562 -18.572 3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.237 -21.110 3.438 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.289 -20.643 2.040 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.776 -20.641 3.498 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.203 -21.229 4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.922 -23.020 3.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.758 -23.179 3.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.190 -22.608 2.232 1.00 0.00 H new ATOM 849 N ASP A 50 -0.836 -16.693 7.612 1.00 0.00 N ATOM 850 CA ASP A 50 -0.910 -16.428 9.024 1.00 0.00 C ATOM 851 C ASP A 50 -1.605 -15.120 9.249 1.00 0.00 C ATOM 852 O ASP A 50 -1.060 -14.062 8.937 1.00 0.00 O ATOM 853 CB ASP A 50 0.475 -16.370 9.676 1.00 0.00 C ATOM 854 CG ASP A 50 1.235 -17.663 9.605 1.00 0.00 C ATOM 855 OD1 ASP A 50 0.833 -18.643 10.262 1.00 0.00 O ATOM 856 OD2 ASP A 50 2.255 -17.731 8.886 1.00 0.00 O ATOM 0 H ASP A 50 0.019 -16.355 7.170 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.464 -17.247 9.482 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.061 -15.588 9.193 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.362 -16.083 10.721 1.00 0.00 H new ATOM 861 N LYS A 51 -2.809 -15.185 9.734 1.00 0.00 N ATOM 862 CA LYS A 51 -3.572 -13.994 10.062 1.00 0.00 C ATOM 863 C LYS A 51 -3.611 -13.832 11.569 1.00 0.00 C ATOM 864 O LYS A 51 -4.424 -13.082 12.107 1.00 0.00 O ATOM 865 CB LYS A 51 -5.000 -14.064 9.492 1.00 0.00 C ATOM 866 CG LYS A 51 -5.835 -15.236 9.999 1.00 0.00 C ATOM 867 CD LYS A 51 -7.263 -15.154 9.493 1.00 0.00 C ATOM 868 CE LYS A 51 -8.085 -16.339 9.966 1.00 0.00 C ATOM 869 NZ LYS A 51 -9.483 -16.284 9.482 1.00 0.00 N ATOM 0 H LYS A 51 -3.300 -16.060 9.917 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.085 -13.130 9.609 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.518 -13.136 9.733 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.940 -14.122 8.405 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.385 -16.174 9.674 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.833 -15.243 11.089 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.722 -14.228 9.841 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.264 -15.120 8.404 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.620 -17.262 9.620 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.081 -16.369 11.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.004 -17.114 9.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.938 -15.417 9.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.491 -16.283 8.442 1.00 0.00 H new ATOM 883 N VAL A 52 -2.731 -14.545 12.235 1.00 0.00 N ATOM 884 CA VAL A 52 -2.640 -14.492 13.676 1.00 0.00 C ATOM 885 C VAL A 52 -1.951 -13.217 14.131 1.00 0.00 C ATOM 886 O VAL A 52 -1.050 -12.700 13.460 1.00 0.00 O ATOM 887 CB VAL A 52 -1.926 -15.736 14.298 1.00 0.00 C ATOM 888 CG1 VAL A 52 -2.721 -17.006 14.058 1.00 0.00 C ATOM 889 CG2 VAL A 52 -0.511 -15.896 13.758 1.00 0.00 C ATOM 0 H VAL A 52 -2.061 -15.176 11.795 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.667 -14.500 14.040 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.865 -15.563 15.373 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.198 -17.852 14.503 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.707 -16.909 14.513 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.830 -17.170 12.986 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.045 -16.770 14.212 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.547 -16.025 12.676 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.073 -15.008 13.999 1.00 0.00 H new ATOM 899 N HIS A 53 -2.396 -12.709 15.245 1.00 0.00 N ATOM 900 CA HIS A 53 -1.828 -11.515 15.841 1.00 0.00 C ATOM 901 C HIS A 53 -1.457 -11.828 17.273 1.00 0.00 C ATOM 902 O HIS A 53 -1.801 -12.903 17.785 1.00 0.00 O ATOM 903 CB HIS A 53 -2.833 -10.339 15.826 1.00 0.00 C ATOM 904 CG HIS A 53 -3.255 -9.855 14.463 1.00 0.00 C ATOM 905 ND1 HIS A 53 -2.713 -8.755 13.836 1.00 0.00 N ATOM 906 CD2 HIS A 53 -4.213 -10.322 13.627 1.00 0.00 C ATOM 907 CE1 HIS A 53 -3.338 -8.588 12.672 1.00 0.00 C ATOM 908 NE2 HIS A 53 -4.265 -9.517 12.492 1.00 0.00 N ATOM 0 H HIS A 53 -3.170 -13.109 15.776 1.00 0.00 H new ATOM 0 HA HIS A 53 -0.953 -11.218 15.262 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.725 -10.641 16.376 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -2.392 -9.502 16.368 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -4.838 -11.183 13.812 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -3.118 -7.799 11.968 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.887 -9.621 11.690 1.00 0.00 H new ATOM 916 N LYS A 54 -0.763 -10.929 17.912 1.00 0.00 N ATOM 917 CA LYS A 54 -0.418 -11.077 19.307 1.00 0.00 C ATOM 918 C LYS A 54 -1.519 -10.457 20.145 1.00 0.00 C ATOM 919 O LYS A 54 -1.788 -9.257 20.021 1.00 0.00 O ATOM 920 CB LYS A 54 0.929 -10.401 19.596 1.00 0.00 C ATOM 921 CG LYS A 54 1.320 -10.343 21.070 1.00 0.00 C ATOM 922 CD LYS A 54 1.468 -11.719 21.689 1.00 0.00 C ATOM 923 CE LYS A 54 1.940 -11.614 23.128 1.00 0.00 C ATOM 924 NZ LYS A 54 3.268 -10.971 23.222 1.00 0.00 N ATOM 0 H LYS A 54 -0.418 -10.070 17.484 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.321 -12.134 19.556 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.709 -10.931 19.050 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.900 -9.385 19.203 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.260 -9.800 21.172 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.566 -9.780 21.620 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.514 -12.244 21.652 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.179 -12.309 21.110 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.216 -11.041 23.708 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.985 -12.609 23.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.699 -11.197 24.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.879 -11.323 22.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.162 -9.940 23.134 1.00 0.00 H new ATOM 938 N LEU A 55 -2.163 -11.262 20.968 1.00 0.00 N ATOM 939 CA LEU A 55 -3.253 -10.776 21.769 1.00 0.00 C ATOM 940 C LEU A 55 -2.776 -10.105 23.051 1.00 0.00 C ATOM 941 O LEU A 55 -1.865 -10.599 23.730 1.00 0.00 O ATOM 942 CB LEU A 55 -4.343 -11.877 22.018 1.00 0.00 C ATOM 943 CG LEU A 55 -3.957 -13.170 22.786 1.00 0.00 C ATOM 944 CD1 LEU A 55 -3.869 -12.948 24.292 1.00 0.00 C ATOM 945 CD2 LEU A 55 -4.938 -14.283 22.473 1.00 0.00 C ATOM 0 H LEU A 55 -1.946 -12.251 21.094 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.745 -9.994 21.191 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.165 -11.408 22.559 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.733 -12.178 21.045 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.963 -13.460 22.446 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.596 -13.883 24.782 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.113 -12.192 24.505 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.835 -12.610 24.667 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.654 -15.183 23.019 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.941 -13.979 22.772 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.925 -14.489 21.403 1.00 0.00 H new ATOM 957 N GLU A 56 -3.331 -8.957 23.327 1.00 0.00 N ATOM 958 CA GLU A 56 -3.091 -8.259 24.565 1.00 0.00 C ATOM 959 C GLU A 56 -4.420 -8.117 25.290 1.00 0.00 C ATOM 960 O GLU A 56 -4.695 -8.831 26.255 1.00 0.00 O ATOM 961 CB GLU A 56 -2.493 -6.881 24.319 1.00 0.00 C ATOM 962 CG GLU A 56 -1.216 -6.882 23.517 1.00 0.00 C ATOM 963 CD GLU A 56 -0.669 -5.500 23.357 1.00 0.00 C ATOM 964 OE1 GLU A 56 -1.149 -4.752 22.482 1.00 0.00 O ATOM 965 OE2 GLU A 56 0.254 -5.125 24.107 1.00 0.00 O ATOM 0 H GLU A 56 -3.969 -8.473 22.695 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.378 -8.825 25.164 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.230 -6.267 23.802 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.301 -6.406 25.281 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.476 -7.513 24.010 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.402 -7.317 22.535 1.00 0.00 H new ATOM 972 N HIS A 57 -5.258 -7.233 24.787 1.00 0.00 N ATOM 973 CA HIS A 57 -6.578 -7.030 25.323 1.00 0.00 C ATOM 974 C HIS A 57 -7.481 -6.661 24.176 1.00 0.00 C ATOM 975 O HIS A 57 -7.582 -5.491 23.789 1.00 0.00 O ATOM 976 CB HIS A 57 -6.592 -5.924 26.379 1.00 0.00 C ATOM 977 CG HIS A 57 -7.877 -5.842 27.163 1.00 0.00 C ATOM 978 ND1 HIS A 57 -8.065 -6.432 28.390 1.00 0.00 N ATOM 979 CD2 HIS A 57 -9.041 -5.218 26.871 1.00 0.00 C ATOM 980 CE1 HIS A 57 -9.302 -6.161 28.799 1.00 0.00 C ATOM 981 NE2 HIS A 57 -9.945 -5.421 27.908 1.00 0.00 N ATOM 0 H HIS A 57 -5.036 -6.635 23.991 1.00 0.00 H new ATOM 0 HA HIS A 57 -6.918 -7.943 25.812 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.766 -6.086 27.071 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -6.415 -4.966 25.890 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.238 -4.651 25.973 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -9.725 -6.499 29.733 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -10.902 -5.073 27.970 1.00 0.00 H new ATOM 989 N HIS A 58 -8.097 -7.631 23.600 1.00 0.00 N ATOM 990 CA HIS A 58 -8.873 -7.371 22.426 1.00 0.00 C ATOM 991 C HIS A 58 -10.344 -7.383 22.736 1.00 0.00 C ATOM 992 O HIS A 58 -10.946 -8.438 22.952 1.00 0.00 O ATOM 993 CB HIS A 58 -8.506 -8.317 21.264 1.00 0.00 C ATOM 994 CG HIS A 58 -7.065 -8.195 20.847 1.00 0.00 C ATOM 995 ND1 HIS A 58 -6.615 -7.545 19.715 1.00 0.00 N ATOM 996 CD2 HIS A 58 -5.962 -8.638 21.470 1.00 0.00 C ATOM 997 CE1 HIS A 58 -5.285 -7.610 19.703 1.00 0.00 C ATOM 998 NE2 HIS A 58 -4.839 -8.266 20.750 1.00 0.00 N ATOM 0 H HIS A 58 -8.084 -8.602 23.912 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.625 -6.366 22.084 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -8.708 -9.346 21.561 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -9.147 -8.101 20.409 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -7.199 -7.094 19.011 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.952 -9.199 22.393 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -4.658 -7.181 18.936 1.00 0.00 H new ATOM 1006 N HIS A 59 -10.890 -6.203 22.826 1.00 0.00 N ATOM 1007 CA HIS A 59 -12.305 -5.998 23.087 1.00 0.00 C ATOM 1008 C HIS A 59 -12.689 -4.609 22.601 1.00 0.00 C ATOM 1009 O HIS A 59 -13.705 -4.428 21.938 1.00 0.00 O ATOM 1010 CB HIS A 59 -12.627 -6.167 24.592 1.00 0.00 C ATOM 1011 CG HIS A 59 -14.098 -6.101 24.929 1.00 0.00 C ATOM 1012 ND1 HIS A 59 -14.648 -5.217 25.832 1.00 0.00 N ATOM 1013 CD2 HIS A 59 -15.128 -6.862 24.486 1.00 0.00 C ATOM 1014 CE1 HIS A 59 -15.955 -5.457 25.915 1.00 0.00 C ATOM 1015 NE2 HIS A 59 -16.306 -6.452 25.114 1.00 0.00 N ATOM 0 H HIS A 59 -10.364 -5.336 22.720 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.886 -6.749 22.552 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.232 -7.125 24.930 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.104 -5.392 25.152 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.050 -7.659 23.762 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -16.638 -4.913 26.551 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -17.241 -6.838 24.983 1.00 0.00 H new ATOM 1023 N HIS A 60 -11.855 -3.625 22.935 1.00 0.00 N ATOM 1024 CA HIS A 60 -12.060 -2.239 22.467 1.00 0.00 C ATOM 1025 C HIS A 60 -11.700 -2.179 20.998 1.00 0.00 C ATOM 1026 O HIS A 60 -12.278 -1.441 20.207 1.00 0.00 O ATOM 1027 CB HIS A 60 -11.146 -1.256 23.225 1.00 0.00 C ATOM 1028 CG HIS A 60 -11.297 -1.264 24.710 1.00 0.00 C ATOM 1029 ND1 HIS A 60 -11.976 -0.312 25.419 1.00 0.00 N ATOM 1030 CD2 HIS A 60 -10.808 -2.126 25.620 1.00 0.00 C ATOM 1031 CE1 HIS A 60 -11.887 -0.611 26.709 1.00 0.00 C ATOM 1032 NE2 HIS A 60 -11.181 -1.715 26.890 1.00 0.00 N ATOM 0 H HIS A 60 -11.033 -3.752 23.525 1.00 0.00 H new ATOM 0 HA HIS A 60 -13.099 -1.959 22.641 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.109 -1.486 22.980 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -11.343 -0.248 22.861 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.217 -3.002 25.396 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -12.331 -0.031 27.504 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -10.958 -2.168 27.776 1.00 0.00 H new ATOM 1040 N HIS A 61 -10.737 -2.975 20.672 1.00 0.00 N ATOM 1041 CA HIS A 61 -10.196 -3.121 19.368 1.00 0.00 C ATOM 1042 C HIS A 61 -9.741 -4.545 19.252 1.00 0.00 C ATOM 1043 O HIS A 61 -9.269 -5.119 20.234 1.00 0.00 O ATOM 1044 CB HIS A 61 -9.022 -2.121 19.142 1.00 0.00 C ATOM 1045 CG HIS A 61 -8.029 -2.057 20.281 1.00 0.00 C ATOM 1046 ND1 HIS A 61 -8.141 -1.169 21.331 1.00 0.00 N ATOM 1047 CD2 HIS A 61 -6.933 -2.809 20.545 1.00 0.00 C ATOM 1048 CE1 HIS A 61 -7.151 -1.403 22.180 1.00 0.00 C ATOM 1049 NE2 HIS A 61 -6.379 -2.392 21.754 1.00 0.00 N ATOM 0 H HIS A 61 -10.280 -3.578 21.356 1.00 0.00 H new ATOM 0 HA HIS A 61 -10.938 -2.895 18.603 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -8.494 -2.400 18.230 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -9.435 -1.125 18.979 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -6.551 -3.603 19.920 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -6.994 -0.859 23.099 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -5.551 -2.770 22.215 1.00 0.00 H new ATOM 1057 N HIS A 62 -9.967 -5.129 18.132 1.00 0.00 N ATOM 1058 CA HIS A 62 -9.560 -6.480 17.888 1.00 0.00 C ATOM 1059 C HIS A 62 -8.485 -6.462 16.861 1.00 0.00 C ATOM 1060 O HIS A 62 -7.320 -6.581 17.236 1.00 0.00 O ATOM 1061 CB HIS A 62 -10.737 -7.373 17.458 1.00 0.00 C ATOM 1062 CG HIS A 62 -11.759 -7.584 18.537 1.00 0.00 C ATOM 1063 ND1 HIS A 62 -11.855 -8.734 19.286 1.00 0.00 N ATOM 1064 CD2 HIS A 62 -12.741 -6.765 18.986 1.00 0.00 C ATOM 1065 CE1 HIS A 62 -12.863 -8.590 20.147 1.00 0.00 C ATOM 1066 NE2 HIS A 62 -13.439 -7.404 20.007 1.00 0.00 N ATOM 1067 OXT HIS A 62 -8.790 -6.198 15.678 1.00 0.00 O ATOM 0 H HIS A 62 -10.443 -4.686 17.347 1.00 0.00 H new ATOM 0 HA HIS A 62 -9.183 -6.914 18.814 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -11.224 -6.926 16.591 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -10.350 -8.342 17.142 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -12.949 -5.774 18.611 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -13.169 -9.339 20.862 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -14.229 -7.036 20.537 1.00 0.00 H new TER 1075 HIS A 62 ATOM 1076 N MET B 1 9.859 22.975 1.545 1.00 0.00 N ATOM 1077 CA MET B 1 10.334 22.952 0.165 1.00 0.00 C ATOM 1078 C MET B 1 9.348 22.153 -0.653 1.00 0.00 C ATOM 1079 O MET B 1 8.231 21.931 -0.202 1.00 0.00 O ATOM 1080 CB MET B 1 11.741 22.328 0.075 1.00 0.00 C ATOM 1081 CG MET B 1 12.800 23.077 0.862 1.00 0.00 C ATOM 1082 SD MET B 1 14.428 22.323 0.726 1.00 0.00 S ATOM 1083 CE MET B 1 15.391 23.413 1.780 1.00 0.00 C ATOM 0 H1 MET B 1 9.857 23.954 1.895 1.00 0.00 H new ATOM 0 H2 MET B 1 8.894 22.590 1.586 1.00 0.00 H new ATOM 0 H3 MET B 1 10.488 22.397 2.138 1.00 0.00 H new ATOM 0 HA MET B 1 10.407 23.970 -0.218 1.00 0.00 H new ATOM 0 HB2 MET B 1 11.695 21.300 0.435 1.00 0.00 H new ATOM 0 HB3 MET B 1 12.042 22.286 -0.972 1.00 0.00 H new ATOM 0 HG2 MET B 1 12.850 24.107 0.508 1.00 0.00 H new ATOM 0 HG3 MET B 1 12.508 23.115 1.911 1.00 0.00 H new ATOM 0 HE1 MET B 1 16.428 23.077 1.800 1.00 0.00 H new ATOM 0 HE2 MET B 1 15.346 24.430 1.389 1.00 0.00 H new ATOM 0 HE3 MET B 1 14.984 23.394 2.791 1.00 0.00 H new ATOM 1095 N GLU B 2 9.737 21.750 -1.849 1.00 0.00 N ATOM 1096 CA GLU B 2 8.861 21.001 -2.724 1.00 0.00 C ATOM 1097 C GLU B 2 8.403 19.700 -2.114 1.00 0.00 C ATOM 1098 O GLU B 2 9.193 18.931 -1.584 1.00 0.00 O ATOM 1099 CB GLU B 2 9.529 20.714 -4.062 1.00 0.00 C ATOM 1100 CG GLU B 2 9.794 21.945 -4.884 1.00 0.00 C ATOM 1101 CD GLU B 2 8.531 22.704 -5.157 1.00 0.00 C ATOM 1102 OE1 GLU B 2 7.854 22.416 -6.163 1.00 0.00 O ATOM 1103 OE2 GLU B 2 8.177 23.588 -4.367 1.00 0.00 O ATOM 0 H GLU B 2 10.663 21.932 -2.237 1.00 0.00 H new ATOM 0 HA GLU B 2 7.986 21.632 -2.878 1.00 0.00 H new ATOM 0 HB2 GLU B 2 10.472 20.198 -3.883 1.00 0.00 H new ATOM 0 HB3 GLU B 2 8.897 20.035 -4.635 1.00 0.00 H new ATOM 0 HG2 GLU B 2 10.501 22.589 -4.360 1.00 0.00 H new ATOM 0 HG3 GLU B 2 10.260 21.661 -5.827 1.00 0.00 H new ATOM 1110 N MET B 3 7.130 19.462 -2.184 1.00 0.00 N ATOM 1111 CA MET B 3 6.592 18.198 -1.752 1.00 0.00 C ATOM 1112 C MET B 3 6.606 17.237 -2.913 1.00 0.00 C ATOM 1113 O MET B 3 6.487 16.035 -2.724 1.00 0.00 O ATOM 1114 CB MET B 3 5.174 18.315 -1.178 1.00 0.00 C ATOM 1115 CG MET B 3 5.057 19.071 0.138 1.00 0.00 C ATOM 1116 SD MET B 3 3.340 19.154 0.739 1.00 0.00 S ATOM 1117 CE MET B 3 2.570 20.158 -0.540 1.00 0.00 C ATOM 0 H MET B 3 6.438 20.124 -2.536 1.00 0.00 H new ATOM 0 HA MET B 3 7.222 17.830 -0.942 1.00 0.00 H new ATOM 0 HB2 MET B 3 4.542 18.808 -1.917 1.00 0.00 H new ATOM 0 HB3 MET B 3 4.775 17.311 -1.036 1.00 0.00 H new ATOM 0 HG2 MET B 3 5.679 18.585 0.890 1.00 0.00 H new ATOM 0 HG3 MET B 3 5.443 20.082 0.009 1.00 0.00 H new ATOM 0 HE1 MET B 3 1.620 20.547 -0.174 1.00 0.00 H new ATOM 0 HE2 MET B 3 3.228 20.989 -0.796 1.00 0.00 H new ATOM 0 HE3 MET B 3 2.396 19.548 -1.426 1.00 0.00 H new ATOM 1127 N GLY B 4 6.773 17.779 -4.119 1.00 0.00 N ATOM 1128 CA GLY B 4 6.858 16.960 -5.315 1.00 0.00 C ATOM 1129 C GLY B 4 8.018 15.991 -5.234 1.00 0.00 C ATOM 1130 O GLY B 4 7.886 14.822 -5.589 1.00 0.00 O ATOM 0 H GLY B 4 6.851 18.782 -4.288 1.00 0.00 H new ATOM 0 HA2 GLY B 4 5.928 16.407 -5.447 1.00 0.00 H new ATOM 0 HA3 GLY B 4 6.976 17.600 -6.189 1.00 0.00 H new ATOM 1134 N GLN B 5 9.136 16.477 -4.711 1.00 0.00 N ATOM 1135 CA GLN B 5 10.338 15.671 -4.530 1.00 0.00 C ATOM 1136 C GLN B 5 10.136 14.630 -3.432 1.00 0.00 C ATOM 1137 O GLN B 5 10.573 13.488 -3.551 1.00 0.00 O ATOM 1138 CB GLN B 5 11.541 16.568 -4.209 1.00 0.00 C ATOM 1139 CG GLN B 5 11.395 17.405 -2.952 1.00 0.00 C ATOM 1140 CD GLN B 5 12.574 18.307 -2.697 1.00 0.00 C ATOM 1141 OE1 GLN B 5 12.612 19.453 -3.161 1.00 0.00 O ATOM 1142 NE2 GLN B 5 13.536 17.820 -1.958 1.00 0.00 N ATOM 0 H GLN B 5 9.236 17.443 -4.399 1.00 0.00 H new ATOM 0 HA GLN B 5 10.538 15.143 -5.463 1.00 0.00 H new ATOM 0 HB2 GLN B 5 12.427 15.941 -4.110 1.00 0.00 H new ATOM 0 HB3 GLN B 5 11.715 17.234 -5.054 1.00 0.00 H new ATOM 0 HG2 GLN B 5 10.493 18.011 -3.030 1.00 0.00 H new ATOM 0 HG3 GLN B 5 11.261 16.743 -2.096 1.00 0.00 H new ATOM 0 HE21 GLN B 5 13.468 16.870 -1.593 1.00 0.00 H new ATOM 0 HE22 GLN B 5 14.355 18.390 -1.746 1.00 0.00 H new ATOM 1151 N LEU B 6 9.430 15.027 -2.391 1.00 0.00 N ATOM 1152 CA LEU B 6 9.150 14.165 -1.266 1.00 0.00 C ATOM 1153 C LEU B 6 8.234 13.040 -1.719 1.00 0.00 C ATOM 1154 O LEU B 6 8.482 11.864 -1.443 1.00 0.00 O ATOM 1155 CB LEU B 6 8.544 15.024 -0.105 1.00 0.00 C ATOM 1156 CG LEU B 6 8.102 14.326 1.211 1.00 0.00 C ATOM 1157 CD1 LEU B 6 6.759 13.622 1.064 1.00 0.00 C ATOM 1158 CD2 LEU B 6 9.171 13.350 1.692 1.00 0.00 C ATOM 0 H LEU B 6 9.034 15.963 -2.304 1.00 0.00 H new ATOM 0 HA LEU B 6 10.059 13.702 -0.883 1.00 0.00 H new ATOM 0 HB2 LEU B 6 9.281 15.783 0.159 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.676 15.548 -0.505 1.00 0.00 H new ATOM 0 HG LEU B 6 7.978 15.106 1.962 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.491 13.149 2.009 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.994 14.350 0.793 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.829 12.863 0.285 1.00 0.00 H new ATOM 0 HD21 LEU B 6 8.840 12.873 2.615 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.338 12.589 0.930 1.00 0.00 H new ATOM 0 HD23 LEU B 6 10.100 13.890 1.876 1.00 0.00 H new ATOM 1170 N LYS B 7 7.220 13.411 -2.467 1.00 0.00 N ATOM 1171 CA LYS B 7 6.247 12.476 -2.970 1.00 0.00 C ATOM 1172 C LYS B 7 6.919 11.553 -3.988 1.00 0.00 C ATOM 1173 O LYS B 7 6.597 10.379 -4.080 1.00 0.00 O ATOM 1174 CB LYS B 7 5.077 13.250 -3.601 1.00 0.00 C ATOM 1175 CG LYS B 7 3.697 12.663 -3.315 1.00 0.00 C ATOM 1176 CD LYS B 7 3.464 11.308 -3.977 1.00 0.00 C ATOM 1177 CE LYS B 7 3.338 11.423 -5.488 1.00 0.00 C ATOM 1178 NZ LYS B 7 2.119 12.157 -5.897 1.00 0.00 N ATOM 0 H LYS B 7 7.048 14.378 -2.744 1.00 0.00 H new ATOM 0 HA LYS B 7 5.852 11.864 -2.160 1.00 0.00 H new ATOM 0 HB2 LYS B 7 5.102 14.278 -3.239 1.00 0.00 H new ATOM 0 HB3 LYS B 7 5.224 13.288 -4.680 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.571 12.559 -2.237 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.935 13.362 -3.659 1.00 0.00 H new ATOM 0 HD2 LYS B 7 4.289 10.639 -3.732 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.558 10.858 -3.571 1.00 0.00 H new ATOM 0 HE2 LYS B 7 4.216 11.932 -5.886 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.322 10.425 -5.926 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 1.968 12.037 -6.919 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 1.298 11.783 -5.379 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 2.233 13.168 -5.681 1.00 0.00 H new ATOM 1192 N ASN B 8 7.890 12.094 -4.705 1.00 0.00 N ATOM 1193 CA ASN B 8 8.645 11.346 -5.704 1.00 0.00 C ATOM 1194 C ASN B 8 9.454 10.230 -5.050 1.00 0.00 C ATOM 1195 O ASN B 8 9.535 9.120 -5.577 1.00 0.00 O ATOM 1196 CB ASN B 8 9.559 12.290 -6.500 1.00 0.00 C ATOM 1197 CG ASN B 8 10.334 11.595 -7.598 1.00 0.00 C ATOM 1198 OD1 ASN B 8 9.840 11.449 -8.720 1.00 0.00 O ATOM 1199 ND2 ASN B 8 11.560 11.230 -7.324 1.00 0.00 N ATOM 0 H ASN B 8 8.180 13.068 -4.612 1.00 0.00 H new ATOM 0 HA ASN B 8 7.939 10.886 -6.396 1.00 0.00 H new ATOM 0 HB2 ASN B 8 8.954 13.084 -6.939 1.00 0.00 H new ATOM 0 HB3 ASN B 8 10.261 12.766 -5.816 1.00 0.00 H new ATOM 0 HD21 ASN B 8 12.141 10.809 -8.049 1.00 0.00 H new ATOM 0 HD22 ASN B 8 11.935 11.366 -6.385 1.00 0.00 H new ATOM 1206 N LYS B 9 10.031 10.520 -3.885 1.00 0.00 N ATOM 1207 CA LYS B 9 10.780 9.513 -3.147 1.00 0.00 C ATOM 1208 C LYS B 9 9.845 8.429 -2.622 1.00 0.00 C ATOM 1209 O LYS B 9 10.209 7.255 -2.586 1.00 0.00 O ATOM 1210 CB LYS B 9 11.585 10.122 -2.001 1.00 0.00 C ATOM 1211 CG LYS B 9 12.678 11.089 -2.443 1.00 0.00 C ATOM 1212 CD LYS B 9 13.519 11.563 -1.260 1.00 0.00 C ATOM 1213 CE LYS B 9 14.269 10.405 -0.606 1.00 0.00 C ATOM 1214 NZ LYS B 9 15.071 10.834 0.548 1.00 0.00 N ATOM 0 H LYS B 9 9.993 11.436 -3.438 1.00 0.00 H new ATOM 0 HA LYS B 9 11.490 9.064 -3.842 1.00 0.00 H new ATOM 0 HB2 LYS B 9 10.902 10.646 -1.332 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.041 9.317 -1.425 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.321 10.602 -3.176 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.226 11.949 -2.937 1.00 0.00 H new ATOM 0 HD2 LYS B 9 14.232 12.315 -1.598 1.00 0.00 H new ATOM 0 HD3 LYS B 9 12.875 12.043 -0.523 1.00 0.00 H new ATOM 0 HE2 LYS B 9 13.553 9.648 -0.286 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.921 9.936 -1.343 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 15.560 10.012 0.956 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 15.773 11.537 0.241 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 14.448 11.257 1.265 1.00 0.00 H new ATOM 1228 N ILE B 10 8.644 8.840 -2.228 1.00 0.00 N ATOM 1229 CA ILE B 10 7.589 7.919 -1.797 1.00 0.00 C ATOM 1230 C ILE B 10 7.272 6.962 -2.936 1.00 0.00 C ATOM 1231 O ILE B 10 7.317 5.741 -2.765 1.00 0.00 O ATOM 1232 CB ILE B 10 6.306 8.704 -1.385 1.00 0.00 C ATOM 1233 CG1 ILE B 10 6.614 9.553 -0.155 1.00 0.00 C ATOM 1234 CG2 ILE B 10 5.123 7.763 -1.132 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.482 10.394 0.349 1.00 0.00 C ATOM 0 H ILE B 10 8.371 9.822 -2.197 1.00 0.00 H new ATOM 0 HA ILE B 10 7.936 7.359 -0.929 1.00 0.00 H new ATOM 0 HB ILE B 10 6.012 9.356 -2.207 1.00 0.00 H new ATOM 0 HG12 ILE B 10 6.938 8.892 0.649 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.454 10.207 -0.388 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.248 8.347 -0.847 1.00 0.00 H new ATOM 0 HG22 ILE B 10 4.904 7.201 -2.040 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.374 7.071 -0.328 1.00 0.00 H new ATOM 0 HD11 ILE B 10 5.808 10.956 1.224 1.00 0.00 H new ATOM 0 HD12 ILE B 10 5.168 11.087 -0.431 1.00 0.00 H new ATOM 0 HD13 ILE B 10 4.645 9.752 0.622 1.00 0.00 H new ATOM 1247 N GLU B 11 7.008 7.540 -4.101 1.00 0.00 N ATOM 1248 CA GLU B 11 6.739 6.808 -5.332 1.00 0.00 C ATOM 1249 C GLU B 11 7.843 5.825 -5.628 1.00 0.00 C ATOM 1250 O GLU B 11 7.599 4.630 -5.769 1.00 0.00 O ATOM 1251 CB GLU B 11 6.629 7.785 -6.495 1.00 0.00 C ATOM 1252 CG GLU B 11 5.412 8.669 -6.450 1.00 0.00 C ATOM 1253 CD GLU B 11 4.169 7.913 -6.785 1.00 0.00 C ATOM 1254 OE1 GLU B 11 3.543 7.330 -5.888 1.00 0.00 O ATOM 1255 OE2 GLU B 11 3.801 7.870 -7.971 1.00 0.00 O ATOM 0 H GLU B 11 6.974 8.553 -4.219 1.00 0.00 H new ATOM 0 HA GLU B 11 5.804 6.263 -5.204 1.00 0.00 H new ATOM 0 HB2 GLU B 11 7.519 8.413 -6.511 1.00 0.00 H new ATOM 0 HB3 GLU B 11 6.620 7.221 -7.428 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.316 9.106 -5.456 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.536 9.495 -7.150 1.00 0.00 H new ATOM 1262 N ASN B 12 9.054 6.331 -5.685 1.00 0.00 N ATOM 1263 CA ASN B 12 10.213 5.527 -6.016 1.00 0.00 C ATOM 1264 C ASN B 12 10.455 4.388 -5.028 1.00 0.00 C ATOM 1265 O ASN B 12 10.698 3.257 -5.447 1.00 0.00 O ATOM 1266 CB ASN B 12 11.474 6.389 -6.193 1.00 0.00 C ATOM 1267 CG ASN B 12 12.717 5.538 -6.375 1.00 0.00 C ATOM 1268 OD1 ASN B 12 13.040 5.111 -7.481 1.00 0.00 O ATOM 1269 ND2 ASN B 12 13.454 5.344 -5.316 1.00 0.00 N ATOM 0 H ASN B 12 9.265 7.312 -5.503 1.00 0.00 H new ATOM 0 HA ASN B 12 9.988 5.061 -6.975 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.350 7.041 -7.058 1.00 0.00 H new ATOM 0 HB3 ASN B 12 11.599 7.034 -5.323 1.00 0.00 H new ATOM 0 HD21 ASN B 12 14.328 4.824 -5.391 1.00 0.00 H new ATOM 0 HD22 ASN B 12 13.156 5.712 -4.413 1.00 0.00 H new ATOM 1276 N LYS B 13 10.362 4.668 -3.733 1.00 0.00 N ATOM 1277 CA LYS B 13 10.617 3.657 -2.720 1.00 0.00 C ATOM 1278 C LYS B 13 9.530 2.570 -2.760 1.00 0.00 C ATOM 1279 O LYS B 13 9.820 1.380 -2.614 1.00 0.00 O ATOM 1280 CB LYS B 13 10.698 4.317 -1.352 1.00 0.00 C ATOM 1281 CG LYS B 13 11.280 3.442 -0.264 1.00 0.00 C ATOM 1282 CD LYS B 13 12.719 3.021 -0.560 1.00 0.00 C ATOM 1283 CE LYS B 13 13.657 4.198 -0.738 1.00 0.00 C ATOM 1284 NZ LYS B 13 15.069 3.761 -0.854 1.00 0.00 N ATOM 0 H LYS B 13 10.112 5.585 -3.363 1.00 0.00 H new ATOM 0 HA LYS B 13 11.571 3.171 -2.923 1.00 0.00 H new ATOM 0 HB2 LYS B 13 11.301 5.221 -1.435 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.697 4.628 -1.053 1.00 0.00 H new ATOM 0 HG2 LYS B 13 11.249 3.978 0.685 1.00 0.00 H new ATOM 0 HG3 LYS B 13 10.661 2.552 -0.147 1.00 0.00 H new ATOM 0 HD2 LYS B 13 13.083 2.394 0.254 1.00 0.00 H new ATOM 0 HD3 LYS B 13 12.735 2.411 -1.464 1.00 0.00 H new ATOM 0 HE2 LYS B 13 13.375 4.757 -1.630 1.00 0.00 H new ATOM 0 HE3 LYS B 13 13.554 4.876 0.109 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 15.616 4.485 -1.362 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 15.470 3.627 0.096 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 15.113 2.863 -1.377 1.00 0.00 H new ATOM 1298 N LYS B 14 8.298 3.005 -2.977 1.00 0.00 N ATOM 1299 CA LYS B 14 7.147 2.148 -3.181 1.00 0.00 C ATOM 1300 C LYS B 14 7.446 1.207 -4.348 1.00 0.00 C ATOM 1301 O LYS B 14 7.319 0.001 -4.232 1.00 0.00 O ATOM 1302 CB LYS B 14 5.963 3.057 -3.539 1.00 0.00 C ATOM 1303 CG LYS B 14 4.623 2.379 -3.765 1.00 0.00 C ATOM 1304 CD LYS B 14 3.602 3.378 -4.315 1.00 0.00 C ATOM 1305 CE LYS B 14 3.902 3.697 -5.766 1.00 0.00 C ATOM 1306 NZ LYS B 14 3.052 4.769 -6.329 1.00 0.00 N ATOM 0 H LYS B 14 8.068 3.998 -3.017 1.00 0.00 H new ATOM 0 HA LYS B 14 6.920 1.559 -2.293 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.843 3.789 -2.740 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.220 3.610 -4.442 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.741 1.550 -4.463 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.260 1.957 -2.828 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.597 2.966 -4.227 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.624 4.293 -3.723 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.948 3.991 -5.855 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.773 2.793 -6.361 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.229 4.852 -7.350 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 2.051 4.538 -6.169 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 3.278 5.671 -5.864 1.00 0.00 H new ATOM 1320 N LYS B 15 7.883 1.793 -5.454 1.00 0.00 N ATOM 1321 CA LYS B 15 8.237 1.066 -6.669 1.00 0.00 C ATOM 1322 C LYS B 15 9.372 0.064 -6.432 1.00 0.00 C ATOM 1323 O LYS B 15 9.314 -1.061 -6.941 1.00 0.00 O ATOM 1324 CB LYS B 15 8.561 2.054 -7.792 1.00 0.00 C ATOM 1325 CG LYS B 15 7.335 2.833 -8.260 1.00 0.00 C ATOM 1326 CD LYS B 15 7.693 4.042 -9.118 1.00 0.00 C ATOM 1327 CE LYS B 15 8.422 3.663 -10.394 1.00 0.00 C ATOM 1328 NZ LYS B 15 8.701 4.850 -11.228 1.00 0.00 N ATOM 0 H LYS B 15 8.004 2.803 -5.535 1.00 0.00 H new ATOM 0 HA LYS B 15 7.376 0.472 -6.976 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.322 2.754 -7.447 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.987 1.512 -8.636 1.00 0.00 H new ATOM 0 HG2 LYS B 15 6.684 2.169 -8.830 1.00 0.00 H new ATOM 0 HG3 LYS B 15 6.768 3.166 -7.390 1.00 0.00 H new ATOM 0 HD2 LYS B 15 6.782 4.583 -9.373 1.00 0.00 H new ATOM 0 HD3 LYS B 15 8.316 4.722 -8.537 1.00 0.00 H new ATOM 0 HE2 LYS B 15 9.358 3.163 -10.145 1.00 0.00 H new ATOM 0 HE3 LYS B 15 7.821 2.951 -10.960 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 9.200 4.557 -12.092 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 7.805 5.312 -11.485 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 9.295 5.517 -10.695 1.00 0.00 H new ATOM 1342 N GLU B 16 10.376 0.464 -5.638 1.00 0.00 N ATOM 1343 CA GLU B 16 11.473 -0.428 -5.246 1.00 0.00 C ATOM 1344 C GLU B 16 10.917 -1.637 -4.490 1.00 0.00 C ATOM 1345 O GLU B 16 11.320 -2.772 -4.723 1.00 0.00 O ATOM 1346 CB GLU B 16 12.518 0.312 -4.374 1.00 0.00 C ATOM 1347 CG GLU B 16 13.345 1.380 -5.096 1.00 0.00 C ATOM 1348 CD GLU B 16 14.362 2.090 -4.189 1.00 0.00 C ATOM 1349 OE1 GLU B 16 14.636 1.618 -3.054 1.00 0.00 O ATOM 1350 OE2 GLU B 16 14.922 3.130 -4.601 1.00 0.00 O ATOM 0 H GLU B 16 10.449 1.406 -5.254 1.00 0.00 H new ATOM 0 HA GLU B 16 11.974 -0.767 -6.153 1.00 0.00 H new ATOM 0 HB2 GLU B 16 12.000 0.783 -3.539 1.00 0.00 H new ATOM 0 HB3 GLU B 16 13.200 -0.426 -3.951 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.875 0.916 -5.928 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.671 2.123 -5.522 1.00 0.00 H new ATOM 1357 N LEU B 17 9.955 -1.377 -3.630 1.00 0.00 N ATOM 1358 CA LEU B 17 9.305 -2.410 -2.843 1.00 0.00 C ATOM 1359 C LEU B 17 8.485 -3.343 -3.709 1.00 0.00 C ATOM 1360 O LEU B 17 8.513 -4.565 -3.514 1.00 0.00 O ATOM 1361 CB LEU B 17 8.465 -1.758 -1.704 1.00 0.00 C ATOM 1362 CG LEU B 17 7.458 -2.620 -0.918 1.00 0.00 C ATOM 1363 CD1 LEU B 17 6.174 -2.816 -1.667 1.00 0.00 C ATOM 1364 CD2 LEU B 17 8.066 -3.931 -0.440 1.00 0.00 C ATOM 0 H LEU B 17 9.598 -0.438 -3.454 1.00 0.00 H new ATOM 0 HA LEU B 17 10.071 -3.032 -2.380 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.164 -1.334 -0.984 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.913 -0.926 -2.140 1.00 0.00 H new ATOM 0 HG LEU B 17 7.204 -2.060 -0.018 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.496 -3.430 -1.073 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.713 -1.847 -1.858 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.378 -3.314 -2.615 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.316 -4.501 0.108 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.405 -4.509 -1.299 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.913 -3.722 0.214 1.00 0.00 H new ATOM 1376 N ILE B 18 7.752 -2.780 -4.643 1.00 0.00 N ATOM 1377 CA ILE B 18 6.897 -3.569 -5.507 1.00 0.00 C ATOM 1378 C ILE B 18 7.741 -4.584 -6.274 1.00 0.00 C ATOM 1379 O ILE B 18 7.355 -5.735 -6.422 1.00 0.00 O ATOM 1380 CB ILE B 18 6.105 -2.684 -6.496 1.00 0.00 C ATOM 1381 CG1 ILE B 18 5.260 -1.677 -5.715 1.00 0.00 C ATOM 1382 CG2 ILE B 18 5.206 -3.565 -7.372 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.674 -0.566 -6.552 1.00 0.00 C ATOM 0 H ILE B 18 7.729 -1.777 -4.826 1.00 0.00 H new ATOM 0 HA ILE B 18 6.173 -4.089 -4.880 1.00 0.00 H new ATOM 0 HB ILE B 18 6.799 -2.142 -7.138 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.447 -2.210 -5.222 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.876 -1.237 -4.930 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.649 -2.938 -8.068 1.00 0.00 H new ATOM 0 HG22 ILE B 18 5.821 -4.270 -7.931 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.508 -4.114 -6.740 1.00 0.00 H new ATOM 0 HD11 ILE B 18 4.091 0.100 -5.916 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.479 -0.003 -7.025 1.00 0.00 H new ATOM 0 HD13 ILE B 18 4.028 -0.991 -7.321 1.00 0.00 H new ATOM 1395 N GLN B 19 8.917 -4.142 -6.712 1.00 0.00 N ATOM 1396 CA GLN B 19 9.869 -5.003 -7.397 1.00 0.00 C ATOM 1397 C GLN B 19 10.273 -6.175 -6.500 1.00 0.00 C ATOM 1398 O GLN B 19 10.368 -7.320 -6.957 1.00 0.00 O ATOM 1399 CB GLN B 19 11.100 -4.200 -7.809 1.00 0.00 C ATOM 1400 CG GLN B 19 10.821 -3.142 -8.861 1.00 0.00 C ATOM 1401 CD GLN B 19 12.044 -2.324 -9.218 1.00 0.00 C ATOM 1402 OE1 GLN B 19 12.940 -2.108 -8.389 1.00 0.00 O ATOM 1403 NE2 GLN B 19 12.102 -1.867 -10.443 1.00 0.00 N ATOM 0 H GLN B 19 9.234 -3.179 -6.601 1.00 0.00 H new ATOM 0 HA GLN B 19 9.395 -5.404 -8.293 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.520 -3.718 -6.926 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.858 -4.885 -8.189 1.00 0.00 H new ATOM 0 HG2 GLN B 19 10.438 -3.624 -9.760 1.00 0.00 H new ATOM 0 HG3 GLN B 19 10.038 -2.475 -8.499 1.00 0.00 H new ATOM 0 HE21 GLN B 19 11.345 -2.065 -11.098 1.00 0.00 H new ATOM 0 HE22 GLN B 19 12.904 -1.313 -10.743 1.00 0.00 H new ATOM 1412 N LEU B 20 10.467 -5.881 -5.226 1.00 0.00 N ATOM 1413 CA LEU B 20 10.824 -6.885 -4.235 1.00 0.00 C ATOM 1414 C LEU B 20 9.715 -7.922 -4.029 1.00 0.00 C ATOM 1415 O LEU B 20 9.969 -9.120 -4.167 1.00 0.00 O ATOM 1416 CB LEU B 20 11.216 -6.251 -2.901 1.00 0.00 C ATOM 1417 CG LEU B 20 12.703 -5.923 -2.655 1.00 0.00 C ATOM 1418 CD1 LEU B 20 13.301 -5.092 -3.738 1.00 0.00 C ATOM 1419 CD2 LEU B 20 12.855 -5.199 -1.353 1.00 0.00 C ATOM 0 H LEU B 20 10.382 -4.938 -4.847 1.00 0.00 H new ATOM 0 HA LEU B 20 11.694 -7.407 -4.633 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.650 -5.326 -2.794 1.00 0.00 H new ATOM 0 HB3 LEU B 20 10.887 -6.920 -2.106 1.00 0.00 H new ATOM 0 HG LEU B 20 13.233 -6.875 -2.636 1.00 0.00 H new ATOM 0 HD11 LEU B 20 14.348 -4.894 -3.509 1.00 0.00 H new ATOM 0 HD12 LEU B 20 13.232 -5.625 -4.686 1.00 0.00 H new ATOM 0 HD13 LEU B 20 12.761 -4.148 -3.812 1.00 0.00 H new ATOM 0 HD21 LEU B 20 13.907 -4.970 -1.185 1.00 0.00 H new ATOM 0 HD22 LEU B 20 12.282 -4.272 -1.383 1.00 0.00 H new ATOM 0 HD23 LEU B 20 12.486 -5.827 -0.542 1.00 0.00 H new ATOM 1431 N VAL B 21 8.482 -7.488 -3.699 1.00 0.00 N ATOM 1432 CA VAL B 21 7.398 -8.444 -3.520 1.00 0.00 C ATOM 1433 C VAL B 21 7.100 -9.221 -4.825 1.00 0.00 C ATOM 1434 O VAL B 21 6.636 -10.360 -4.792 1.00 0.00 O ATOM 1435 CB VAL B 21 6.111 -7.769 -3.017 1.00 0.00 C ATOM 1436 CG1 VAL B 21 6.370 -6.887 -1.836 1.00 0.00 C ATOM 1437 CG2 VAL B 21 5.373 -7.036 -4.099 1.00 0.00 C ATOM 0 H VAL B 21 8.227 -6.511 -3.557 1.00 0.00 H new ATOM 0 HA VAL B 21 7.737 -9.149 -2.761 1.00 0.00 H new ATOM 0 HB VAL B 21 5.456 -8.576 -2.690 1.00 0.00 H new ATOM 0 HG11 VAL B 21 5.435 -6.429 -1.512 1.00 0.00 H new ATOM 0 HG12 VAL B 21 6.785 -7.481 -1.022 1.00 0.00 H new ATOM 0 HG13 VAL B 21 7.079 -6.107 -2.113 1.00 0.00 H new ATOM 0 HG21 VAL B 21 4.474 -6.581 -3.683 1.00 0.00 H new ATOM 0 HG22 VAL B 21 6.014 -6.258 -4.514 1.00 0.00 H new ATOM 0 HG23 VAL B 21 5.094 -7.735 -4.887 1.00 0.00 H new ATOM 1447 N ALA B 22 7.385 -8.600 -5.952 1.00 0.00 N ATOM 1448 CA ALA B 22 7.153 -9.197 -7.243 1.00 0.00 C ATOM 1449 C ALA B 22 8.111 -10.350 -7.482 1.00 0.00 C ATOM 1450 O ALA B 22 7.694 -11.463 -7.858 1.00 0.00 O ATOM 1451 CB ALA B 22 7.286 -8.151 -8.320 1.00 0.00 C ATOM 0 H ALA B 22 7.786 -7.663 -5.993 1.00 0.00 H new ATOM 0 HA ALA B 22 6.140 -9.598 -7.270 1.00 0.00 H new ATOM 0 HB1 ALA B 22 7.110 -8.607 -9.294 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.555 -7.361 -8.152 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.290 -7.728 -8.294 1.00 0.00 H new ATOM 1457 N ARG B 23 9.390 -10.111 -7.201 1.00 0.00 N ATOM 1458 CA ARG B 23 10.424 -11.121 -7.393 1.00 0.00 C ATOM 1459 C ARG B 23 10.331 -12.212 -6.329 1.00 0.00 C ATOM 1460 O ARG B 23 10.992 -13.241 -6.429 1.00 0.00 O ATOM 1461 CB ARG B 23 11.822 -10.494 -7.433 1.00 0.00 C ATOM 1462 CG ARG B 23 12.254 -9.827 -6.144 1.00 0.00 C ATOM 1463 CD ARG B 23 13.558 -9.069 -6.307 1.00 0.00 C ATOM 1464 NE ARG B 23 13.452 -7.992 -7.304 1.00 0.00 N ATOM 1465 CZ ARG B 23 14.148 -6.847 -7.290 1.00 0.00 C ATOM 1466 NH1 ARG B 23 15.031 -6.608 -6.329 1.00 0.00 N ATOM 1467 NH2 ARG B 23 13.962 -5.948 -8.251 1.00 0.00 N ATOM 0 H ARG B 23 9.735 -9.222 -6.838 1.00 0.00 H new ATOM 0 HA ARG B 23 10.252 -11.589 -8.362 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.546 -11.269 -7.685 1.00 0.00 H new ATOM 0 HB3 ARG B 23 11.852 -9.757 -8.235 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.475 -9.141 -5.812 1.00 0.00 H new ATOM 0 HG3 ARG B 23 12.368 -10.581 -5.366 1.00 0.00 H new ATOM 0 HD2 ARG B 23 13.853 -8.646 -5.347 1.00 0.00 H new ATOM 0 HD3 ARG B 23 14.345 -9.762 -6.605 1.00 0.00 H new ATOM 0 HE ARG B 23 12.793 -8.129 -8.071 1.00 0.00 H new ATOM 0 HH11 ARG B 23 15.184 -7.298 -5.594 1.00 0.00 H new ATOM 0 HH12 ARG B 23 15.557 -5.734 -6.325 1.00 0.00 H new ATOM 0 HH21 ARG B 23 13.291 -6.130 -8.997 1.00 0.00 H new ATOM 0 HH22 ARG B 23 14.491 -5.076 -8.243 1.00 0.00 H new ATOM 1481 N HIS B 24 9.507 -11.969 -5.305 1.00 0.00 N ATOM 1482 CA HIS B 24 9.219 -12.972 -4.286 1.00 0.00 C ATOM 1483 C HIS B 24 8.525 -14.163 -4.954 1.00 0.00 C ATOM 1484 O HIS B 24 8.798 -15.327 -4.633 1.00 0.00 O ATOM 1485 CB HIS B 24 8.307 -12.381 -3.182 1.00 0.00 C ATOM 1486 CG HIS B 24 7.947 -13.349 -2.076 1.00 0.00 C ATOM 1487 ND1 HIS B 24 6.921 -14.271 -2.148 1.00 0.00 N ATOM 1488 CD2 HIS B 24 8.512 -13.531 -0.866 1.00 0.00 C ATOM 1489 CE1 HIS B 24 6.903 -14.960 -1.012 1.00 0.00 C ATOM 1490 NE2 HIS B 24 7.851 -14.553 -0.194 1.00 0.00 N ATOM 0 H HIS B 24 9.027 -11.080 -5.163 1.00 0.00 H new ATOM 0 HA HIS B 24 10.151 -13.294 -3.820 1.00 0.00 H new ATOM 0 HB2 HIS B 24 8.805 -11.517 -2.742 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.388 -12.019 -3.643 1.00 0.00 H new ATOM 0 HD2 HIS B 24 9.349 -12.970 -0.478 1.00 0.00 H new ATOM 0 HE1 HIS B 24 6.202 -15.751 -0.789 1.00 0.00 H new ATOM 0 HE2 HIS B 24 8.057 -14.912 0.738 1.00 0.00 H new ATOM 1498 N GLY B 25 7.645 -13.851 -5.888 1.00 0.00 N ATOM 1499 CA GLY B 25 6.941 -14.877 -6.608 1.00 0.00 C ATOM 1500 C GLY B 25 5.553 -14.453 -7.028 1.00 0.00 C ATOM 1501 O GLY B 25 4.616 -15.262 -6.998 1.00 0.00 O ATOM 0 H GLY B 25 7.407 -12.897 -6.159 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.515 -15.152 -7.493 1.00 0.00 H new ATOM 0 HA3 GLY B 25 6.870 -15.768 -5.984 1.00 0.00 H new ATOM 1505 N LEU B 26 5.388 -13.199 -7.403 1.00 0.00 N ATOM 1506 CA LEU B 26 4.094 -12.753 -7.857 1.00 0.00 C ATOM 1507 C LEU B 26 3.910 -12.963 -9.318 1.00 0.00 C ATOM 1508 O LEU B 26 4.866 -12.963 -10.098 1.00 0.00 O ATOM 1509 CB LEU B 26 3.815 -11.286 -7.537 1.00 0.00 C ATOM 1510 CG LEU B 26 3.548 -10.948 -6.093 1.00 0.00 C ATOM 1511 CD1 LEU B 26 3.125 -9.506 -5.910 1.00 0.00 C ATOM 1512 CD2 LEU B 26 2.577 -11.914 -5.447 1.00 0.00 C ATOM 0 H LEU B 26 6.119 -12.488 -7.402 1.00 0.00 H new ATOM 0 HA LEU B 26 3.382 -13.367 -7.306 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.668 -10.696 -7.873 1.00 0.00 H new ATOM 0 HB3 LEU B 26 2.955 -10.967 -8.126 1.00 0.00 H new ATOM 0 HG LEU B 26 4.497 -11.063 -5.569 1.00 0.00 H new ATOM 0 HD11 LEU B 26 2.944 -9.311 -4.853 1.00 0.00 H new ATOM 0 HD12 LEU B 26 3.915 -8.847 -6.271 1.00 0.00 H new ATOM 0 HD13 LEU B 26 2.211 -9.320 -6.475 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.417 -11.628 -4.407 1.00 0.00 H new ATOM 0 HD22 LEU B 26 1.627 -11.887 -5.981 1.00 0.00 H new ATOM 0 HD23 LEU B 26 2.987 -12.923 -5.487 1.00 0.00 H new ATOM 1524 N ASP B 27 2.672 -13.135 -9.682 1.00 0.00 N ATOM 1525 CA ASP B 27 2.269 -13.208 -11.065 1.00 0.00 C ATOM 1526 C ASP B 27 2.251 -11.775 -11.543 1.00 0.00 C ATOM 1527 O ASP B 27 2.204 -10.863 -10.702 1.00 0.00 O ATOM 1528 CB ASP B 27 0.853 -13.805 -11.186 1.00 0.00 C ATOM 1529 CG ASP B 27 0.680 -15.101 -10.416 1.00 0.00 C ATOM 1530 OD1 ASP B 27 1.153 -16.142 -10.869 1.00 0.00 O ATOM 1531 OD2 ASP B 27 0.090 -15.080 -9.295 1.00 0.00 O ATOM 0 H ASP B 27 1.901 -13.230 -9.021 1.00 0.00 H new ATOM 0 HA ASP B 27 2.941 -13.839 -11.647 1.00 0.00 H new ATOM 0 HB2 ASP B 27 0.127 -13.076 -10.825 1.00 0.00 H new ATOM 0 HB3 ASP B 27 0.630 -13.983 -12.238 1.00 0.00 H new ATOM 1536 N HIS B 28 2.260 -11.537 -12.828 1.00 0.00 N ATOM 1537 CA HIS B 28 2.304 -10.160 -13.319 1.00 0.00 C ATOM 1538 C HIS B 28 1.060 -9.389 -12.871 1.00 0.00 C ATOM 1539 O HIS B 28 1.149 -8.235 -12.455 1.00 0.00 O ATOM 1540 CB HIS B 28 2.469 -10.104 -14.837 1.00 0.00 C ATOM 1541 CG HIS B 28 2.767 -8.727 -15.354 1.00 0.00 C ATOM 1542 ND1 HIS B 28 2.039 -8.091 -16.331 1.00 0.00 N ATOM 1543 CD2 HIS B 28 3.764 -7.875 -15.019 1.00 0.00 C ATOM 1544 CE1 HIS B 28 2.598 -6.900 -16.557 1.00 0.00 C ATOM 1545 NE2 HIS B 28 3.655 -6.720 -15.782 1.00 0.00 N ATOM 0 H HIS B 28 2.238 -12.255 -13.552 1.00 0.00 H new ATOM 0 HA HIS B 28 3.181 -9.681 -12.883 1.00 0.00 H new ATOM 0 HB2 HIS B 28 3.274 -10.777 -15.133 1.00 0.00 H new ATOM 0 HB3 HIS B 28 1.557 -10.471 -15.308 1.00 0.00 H new ATOM 0 HD2 HIS B 28 4.524 -8.064 -14.276 1.00 0.00 H new ATOM 0 HE1 HIS B 28 2.236 -6.180 -17.276 1.00 0.00 H new ATOM 0 HE2 HIS B 28 4.264 -5.902 -15.751 1.00 0.00 H new ATOM 1553 N ASP B 29 -0.081 -10.065 -12.882 1.00 0.00 N ATOM 1554 CA ASP B 29 -1.335 -9.468 -12.439 1.00 0.00 C ATOM 1555 C ASP B 29 -1.308 -9.175 -10.957 1.00 0.00 C ATOM 1556 O ASP B 29 -1.931 -8.233 -10.501 1.00 0.00 O ATOM 1557 CB ASP B 29 -2.556 -10.324 -12.801 1.00 0.00 C ATOM 1558 CG ASP B 29 -2.891 -10.287 -14.275 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -3.546 -9.319 -14.725 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -2.507 -11.216 -15.015 1.00 0.00 O ATOM 0 H ASP B 29 -0.164 -11.032 -13.195 1.00 0.00 H new ATOM 0 HA ASP B 29 -1.435 -8.525 -12.977 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -2.370 -11.356 -12.503 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -3.417 -9.977 -12.230 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.542 -9.961 -10.210 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.375 -9.743 -8.778 1.00 0.00 C ATOM 1567 C LYS B 30 0.367 -8.449 -8.556 1.00 0.00 C ATOM 1568 O LYS B 30 -0.040 -7.640 -7.746 1.00 0.00 O ATOM 1569 CB LYS B 30 0.386 -10.902 -8.137 1.00 0.00 C ATOM 1570 CG LYS B 30 -0.384 -12.203 -8.090 1.00 0.00 C ATOM 1571 CD LYS B 30 -1.532 -12.169 -7.102 1.00 0.00 C ATOM 1572 CE LYS B 30 -2.337 -13.463 -7.158 1.00 0.00 C ATOM 1573 NZ LYS B 30 -1.490 -14.672 -6.995 1.00 0.00 N ATOM 0 H LYS B 30 -0.024 -10.760 -10.575 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.359 -9.687 -8.312 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.313 -11.062 -8.688 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.664 -10.621 -7.121 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.772 -12.427 -9.084 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.295 -13.013 -7.823 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -1.145 -12.020 -6.094 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -2.182 -11.322 -7.322 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -3.096 -13.448 -6.376 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -2.863 -13.518 -8.111 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -2.096 -15.502 -6.837 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -0.922 -14.816 -7.854 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -0.857 -14.545 -6.179 1.00 0.00 H new ATOM 1587 N VAL B 31 1.437 -8.255 -9.319 1.00 0.00 N ATOM 1588 CA VAL B 31 2.238 -7.041 -9.255 1.00 0.00 C ATOM 1589 C VAL B 31 1.359 -5.828 -9.579 1.00 0.00 C ATOM 1590 O VAL B 31 1.412 -4.816 -8.889 1.00 0.00 O ATOM 1591 CB VAL B 31 3.433 -7.100 -10.251 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.343 -5.890 -10.103 1.00 0.00 C ATOM 1593 CG2 VAL B 31 4.216 -8.389 -10.078 1.00 0.00 C ATOM 0 H VAL B 31 1.773 -8.937 -10.000 1.00 0.00 H new ATOM 0 HA VAL B 31 2.640 -6.950 -8.246 1.00 0.00 H new ATOM 0 HB VAL B 31 3.022 -7.081 -11.260 1.00 0.00 H new ATOM 0 HG11 VAL B 31 5.166 -5.965 -10.814 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.775 -4.981 -10.300 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.741 -5.856 -9.089 1.00 0.00 H new ATOM 0 HG21 VAL B 31 5.046 -8.408 -10.784 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.604 -8.445 -9.061 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.561 -9.240 -10.265 1.00 0.00 H new ATOM 1603 N LEU B 32 0.533 -5.964 -10.608 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.395 -4.914 -11.032 1.00 0.00 C ATOM 1605 C LEU B 32 -1.393 -4.591 -9.937 1.00 0.00 C ATOM 1606 O LEU B 32 -1.488 -3.440 -9.505 1.00 0.00 O ATOM 1607 CB LEU B 32 -1.132 -5.332 -12.307 1.00 0.00 C ATOM 1608 CG LEU B 32 -0.247 -5.694 -13.502 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -1.092 -6.053 -14.700 1.00 0.00 C ATOM 1610 CD2 LEU B 32 0.722 -4.571 -13.837 1.00 0.00 C ATOM 0 H LEU B 32 0.485 -6.809 -11.178 1.00 0.00 H new ATOM 0 HA LEU B 32 0.189 -4.017 -11.238 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.763 -6.189 -12.074 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.795 -4.519 -12.603 1.00 0.00 H new ATOM 0 HG LEU B 32 0.346 -6.566 -13.226 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.444 -6.307 -15.539 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.723 -6.908 -14.457 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.719 -5.204 -14.970 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.335 -4.862 -14.690 1.00 0.00 H new ATOM 0 HD22 LEU B 32 0.162 -3.669 -14.083 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.364 -4.377 -12.978 1.00 0.00 H new ATOM 1622 N LEU B 33 -2.089 -5.608 -9.456 1.00 0.00 N ATOM 1623 CA LEU B 33 -3.110 -5.433 -8.427 1.00 0.00 C ATOM 1624 C LEU B 33 -2.511 -4.902 -7.129 1.00 0.00 C ATOM 1625 O LEU B 33 -3.098 -4.035 -6.479 1.00 0.00 O ATOM 1626 CB LEU B 33 -3.871 -6.738 -8.192 1.00 0.00 C ATOM 1627 CG LEU B 33 -4.643 -7.287 -9.401 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -5.247 -8.643 -9.087 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -5.727 -6.312 -9.847 1.00 0.00 C ATOM 0 H LEU B 33 -1.966 -6.573 -9.763 1.00 0.00 H new ATOM 0 HA LEU B 33 -3.819 -4.687 -8.785 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -3.161 -7.497 -7.863 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.575 -6.584 -7.374 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.935 -7.408 -10.221 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -5.789 -9.011 -9.959 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -4.453 -9.344 -8.831 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.934 -8.549 -8.246 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.258 -6.726 -10.704 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -6.429 -6.150 -9.029 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.270 -5.363 -10.127 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.336 -5.389 -6.782 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.649 -4.935 -5.594 1.00 0.00 C ATOM 1643 C PHE B 34 -0.222 -3.484 -5.730 1.00 0.00 C ATOM 1644 O PHE B 34 -0.563 -2.668 -4.896 1.00 0.00 O ATOM 1645 CB PHE B 34 0.565 -5.824 -5.275 1.00 0.00 C ATOM 1646 CG PHE B 34 1.393 -5.334 -4.117 1.00 0.00 C ATOM 1647 CD1 PHE B 34 0.960 -5.499 -2.813 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.605 -4.700 -4.338 1.00 0.00 C ATOM 1649 CE1 PHE B 34 1.717 -5.039 -1.760 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.364 -4.242 -3.287 1.00 0.00 C ATOM 1651 CZ PHE B 34 2.922 -4.410 -2.004 1.00 0.00 C ATOM 0 H PHE B 34 -0.836 -6.104 -7.311 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.351 -5.010 -4.764 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.216 -6.834 -5.058 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.198 -5.889 -6.160 1.00 0.00 H new ATOM 0 HD1 PHE B 34 0.019 -5.993 -2.620 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.958 -4.564 -5.349 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.370 -5.169 -0.746 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.307 -3.751 -3.474 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.518 -4.049 -1.178 1.00 0.00 H new ATOM 1661 N SER B 35 0.486 -3.165 -6.808 1.00 0.00 N ATOM 1662 CA SER B 35 1.033 -1.829 -7.004 1.00 0.00 C ATOM 1663 C SER B 35 -0.043 -0.746 -6.994 1.00 0.00 C ATOM 1664 O SER B 35 0.169 0.343 -6.447 1.00 0.00 O ATOM 1665 CB SER B 35 1.881 -1.766 -8.278 1.00 0.00 C ATOM 1666 OG SER B 35 1.168 -2.232 -9.407 1.00 0.00 O ATOM 0 H SER B 35 0.695 -3.818 -7.563 1.00 0.00 H new ATOM 0 HA SER B 35 1.682 -1.624 -6.153 1.00 0.00 H new ATOM 0 HB2 SER B 35 2.203 -0.739 -8.450 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.782 -2.364 -8.145 1.00 0.00 H new ATOM 0 HG SER B 35 1.227 -3.209 -9.451 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.189 -1.045 -7.568 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.272 -0.092 -7.604 1.00 0.00 C ATOM 1674 C ARG B 36 -2.937 0.053 -6.242 1.00 0.00 C ATOM 1675 O ARG B 36 -3.154 1.164 -5.785 1.00 0.00 O ATOM 1676 CB ARG B 36 -3.291 -0.428 -8.697 1.00 0.00 C ATOM 1677 CG ARG B 36 -3.912 -1.800 -8.567 1.00 0.00 C ATOM 1678 CD ARG B 36 -4.833 -2.103 -9.706 1.00 0.00 C ATOM 1679 NE ARG B 36 -6.020 -1.235 -9.702 1.00 0.00 N ATOM 1680 CZ ARG B 36 -7.094 -1.401 -10.489 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -7.084 -2.322 -11.458 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -8.155 -0.620 -10.326 1.00 0.00 N ATOM 0 H ARG B 36 -1.392 -1.939 -8.015 1.00 0.00 H new ATOM 0 HA ARG B 36 -1.839 0.875 -7.858 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -4.084 0.320 -8.681 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -2.802 -0.354 -9.668 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -3.125 -2.553 -8.526 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -4.462 -1.862 -7.628 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -4.298 -1.980 -10.647 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -5.146 -3.146 -9.651 1.00 0.00 H new ATOM 0 HE ARG B 36 -6.027 -0.448 -9.053 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -6.258 -2.902 -11.602 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -7.903 -2.444 -12.054 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -8.151 0.102 -9.605 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -8.974 -0.742 -10.921 1.00 0.00 H new ATOM 1696 N ASP B 37 -3.201 -1.066 -5.556 1.00 0.00 N ATOM 1697 CA ASP B 37 -3.883 -0.984 -4.263 1.00 0.00 C ATOM 1698 C ASP B 37 -2.948 -0.403 -3.227 1.00 0.00 C ATOM 1699 O ASP B 37 -3.374 0.266 -2.315 1.00 0.00 O ATOM 1700 CB ASP B 37 -4.449 -2.331 -3.796 1.00 0.00 C ATOM 1701 CG ASP B 37 -5.492 -2.153 -2.691 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -6.548 -1.518 -2.955 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -5.301 -2.634 -1.561 1.00 0.00 O ATOM 0 H ASP B 37 -2.961 -2.009 -5.863 1.00 0.00 H new ATOM 0 HA ASP B 37 -4.741 -0.324 -4.391 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -4.900 -2.849 -4.642 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -3.637 -2.961 -3.432 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.661 -0.651 -3.407 1.00 0.00 N ATOM 1709 CA LEU B 38 -0.611 -0.074 -2.578 1.00 0.00 C ATOM 1710 C LEU B 38 -0.573 1.433 -2.754 1.00 0.00 C ATOM 1711 O LEU B 38 -0.558 2.170 -1.789 1.00 0.00 O ATOM 1712 CB LEU B 38 0.748 -0.680 -2.951 1.00 0.00 C ATOM 1713 CG LEU B 38 1.991 -0.033 -2.334 1.00 0.00 C ATOM 1714 CD1 LEU B 38 1.959 -0.091 -0.835 1.00 0.00 C ATOM 1715 CD2 LEU B 38 3.241 -0.688 -2.859 1.00 0.00 C ATOM 0 H LEU B 38 -1.310 -1.266 -4.141 1.00 0.00 H new ATOM 0 HA LEU B 38 -0.825 -0.301 -1.534 1.00 0.00 H new ATOM 0 HB2 LEU B 38 0.738 -1.733 -2.668 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.849 -0.642 -4.036 1.00 0.00 H new ATOM 0 HG LEU B 38 1.994 1.018 -2.624 1.00 0.00 H new ATOM 0 HD11 LEU B 38 2.857 0.378 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU B 38 1.079 0.438 -0.469 1.00 0.00 H new ATOM 0 HD13 LEU B 38 1.917 -1.131 -0.512 1.00 0.00 H new ATOM 0 HD21 LEU B 38 4.115 -0.216 -2.410 1.00 0.00 H new ATOM 0 HD22 LEU B 38 3.230 -1.748 -2.605 1.00 0.00 H new ATOM 0 HD23 LEU B 38 3.284 -0.575 -3.942 1.00 0.00 H new ATOM 1727 N ASP B 39 -0.578 1.872 -3.996 1.00 0.00 N ATOM 1728 CA ASP B 39 -0.567 3.303 -4.332 1.00 0.00 C ATOM 1729 C ASP B 39 -1.785 3.982 -3.719 1.00 0.00 C ATOM 1730 O ASP B 39 -1.696 5.038 -3.099 1.00 0.00 O ATOM 1731 CB ASP B 39 -0.584 3.444 -5.850 1.00 0.00 C ATOM 1732 CG ASP B 39 -0.583 4.864 -6.334 1.00 0.00 C ATOM 1733 OD1 ASP B 39 0.496 5.475 -6.391 1.00 0.00 O ATOM 1734 OD2 ASP B 39 -1.654 5.365 -6.731 1.00 0.00 O ATOM 0 H ASP B 39 -0.590 1.256 -4.809 1.00 0.00 H new ATOM 0 HA ASP B 39 0.328 3.779 -3.933 1.00 0.00 H new ATOM 0 HB2 ASP B 39 0.285 2.931 -6.261 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -1.467 2.939 -6.241 1.00 0.00 H new ATOM 1739 N LYS B 40 -2.892 3.308 -3.845 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.155 3.697 -3.327 1.00 0.00 C ATOM 1741 C LYS B 40 -4.162 3.719 -1.797 1.00 0.00 C ATOM 1742 O LYS B 40 -4.735 4.634 -1.182 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.133 2.706 -3.895 1.00 0.00 C ATOM 1744 CG LYS B 40 -6.458 2.595 -3.234 1.00 0.00 C ATOM 1745 CD LYS B 40 -7.339 1.655 -4.034 1.00 0.00 C ATOM 1746 CE LYS B 40 -8.569 1.219 -3.272 1.00 0.00 C ATOM 1747 NZ LYS B 40 -8.220 0.381 -2.111 1.00 0.00 N ATOM 0 H LYS B 40 -2.930 2.419 -4.344 1.00 0.00 H new ATOM 0 HA LYS B 40 -4.416 4.716 -3.612 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -5.300 2.960 -4.942 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -4.664 1.722 -3.876 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -6.340 2.223 -2.216 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -6.925 3.577 -3.162 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -7.644 2.147 -4.957 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -6.761 0.775 -4.318 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -9.119 2.098 -2.935 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -9.231 0.664 -3.936 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -8.969 -0.323 -1.953 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -7.319 -0.106 -2.293 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -8.125 0.980 -1.266 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.523 2.724 -1.198 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.380 2.610 0.239 1.00 0.00 C ATOM 1763 C LEU B 41 -2.598 3.802 0.730 1.00 0.00 C ATOM 1764 O LEU B 41 -2.934 4.414 1.736 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.616 1.301 0.561 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.614 0.779 2.013 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -1.879 1.645 2.968 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -3.989 0.558 2.479 1.00 0.00 C ATOM 0 H LEU B 41 -3.082 1.961 -1.711 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.354 2.584 0.728 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -3.028 0.515 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -1.578 1.442 0.260 1.00 0.00 H new ATOM 0 HG LEU B 41 -2.072 -0.166 1.989 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -1.925 1.208 3.965 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -0.838 1.728 2.656 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -2.333 2.636 2.985 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -3.971 0.190 3.505 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -4.542 1.497 2.440 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -4.477 -0.177 1.838 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.587 4.140 -0.012 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.729 5.235 0.351 1.00 0.00 C ATOM 1782 C ILE B 42 -1.489 6.544 0.218 1.00 0.00 C ATOM 1783 O ILE B 42 -1.548 7.317 1.163 1.00 0.00 O ATOM 1784 CB ILE B 42 0.600 5.238 -0.460 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.385 3.955 -0.165 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.443 6.451 -0.113 1.00 0.00 C ATOM 1787 CD1 ILE B 42 2.709 3.848 -0.882 1.00 0.00 C ATOM 0 H ILE B 42 -1.332 3.670 -0.881 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.434 5.112 1.393 1.00 0.00 H new ATOM 0 HB ILE B 42 0.359 5.283 -1.522 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.562 3.892 0.909 1.00 0.00 H new ATOM 0 HG13 ILE B 42 0.769 3.098 -0.437 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.366 6.430 -0.692 1.00 0.00 H new ATOM 0 HG22 ILE B 42 0.888 7.359 -0.347 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.682 6.436 0.950 1.00 0.00 H new ATOM 0 HD11 ILE B 42 3.194 2.909 -0.613 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.543 3.875 -1.959 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.348 4.682 -0.592 1.00 0.00 H new ATOM 1799 N ASN B 43 -2.140 6.738 -0.922 1.00 0.00 N ATOM 1800 CA ASN B 43 -2.978 7.929 -1.184 1.00 0.00 C ATOM 1801 C ASN B 43 -4.026 8.144 -0.106 1.00 0.00 C ATOM 1802 O ASN B 43 -4.362 9.295 0.220 1.00 0.00 O ATOM 1803 CB ASN B 43 -3.661 7.847 -2.548 1.00 0.00 C ATOM 1804 CG ASN B 43 -2.716 8.098 -3.698 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -1.766 8.854 -3.568 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -2.968 7.488 -4.821 1.00 0.00 N ATOM 0 H ASN B 43 -2.110 6.080 -1.700 1.00 0.00 H new ATOM 0 HA ASN B 43 -2.299 8.782 -1.177 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -4.111 6.861 -2.664 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -4.472 8.574 -2.586 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -2.362 7.635 -5.628 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -3.771 6.863 -4.893 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.512 7.040 0.469 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.479 7.063 1.570 1.00 0.00 C ATOM 1815 C LYS B 44 -4.907 7.859 2.744 1.00 0.00 C ATOM 1816 O LYS B 44 -5.585 8.652 3.381 1.00 0.00 O ATOM 1817 CB LYS B 44 -5.760 5.630 2.052 1.00 0.00 C ATOM 1818 CG LYS B 44 -6.772 5.534 3.199 1.00 0.00 C ATOM 1819 CD LYS B 44 -6.713 4.183 3.927 1.00 0.00 C ATOM 1820 CE LYS B 44 -6.974 3.001 3.009 1.00 0.00 C ATOM 1821 NZ LYS B 44 -6.999 1.717 3.755 1.00 0.00 N ATOM 0 H LYS B 44 -4.244 6.099 0.181 1.00 0.00 H new ATOM 0 HA LYS B 44 -6.400 7.525 1.213 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -6.126 5.042 1.210 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -4.822 5.177 2.373 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.584 6.336 3.913 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -7.777 5.687 2.806 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -5.732 4.068 4.388 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -7.447 4.179 4.733 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -7.926 3.142 2.497 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -6.202 2.960 2.241 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -7.296 0.951 3.117 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -6.049 1.511 4.124 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -7.670 1.788 4.546 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.651 7.657 2.984 1.00 0.00 N ATOM 1836 CA PHE B 45 -2.985 8.261 4.095 1.00 0.00 C ATOM 1837 C PHE B 45 -2.368 9.604 3.769 1.00 0.00 C ATOM 1838 O PHE B 45 -2.152 10.423 4.656 1.00 0.00 O ATOM 1839 CB PHE B 45 -1.960 7.296 4.680 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.587 6.202 5.488 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -2.855 6.430 6.817 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -2.928 4.961 4.933 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -3.451 5.464 7.597 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.529 3.992 5.711 1.00 0.00 C ATOM 1845 CZ PHE B 45 -3.790 4.244 7.044 1.00 0.00 C ATOM 0 H PHE B 45 -3.053 7.063 2.410 1.00 0.00 H new ATOM 0 HA PHE B 45 -3.745 8.469 4.848 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.379 6.856 3.870 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -1.262 7.851 5.308 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -2.594 7.382 7.256 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -2.720 4.762 3.892 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -3.653 5.660 8.640 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -3.795 3.039 5.278 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.259 3.487 7.654 1.00 0.00 H new ATOM 1855 N MET B 46 -2.114 9.846 2.518 1.00 0.00 N ATOM 1856 CA MET B 46 -1.475 11.083 2.116 1.00 0.00 C ATOM 1857 C MET B 46 -2.490 12.180 1.948 1.00 0.00 C ATOM 1858 O MET B 46 -2.270 13.325 2.363 1.00 0.00 O ATOM 1859 CB MET B 46 -0.773 10.924 0.774 1.00 0.00 C ATOM 1860 CG MET B 46 0.097 9.711 0.657 1.00 0.00 C ATOM 1861 SD MET B 46 1.015 9.679 -0.872 1.00 0.00 S ATOM 1862 CE MET B 46 2.258 10.865 -0.478 1.00 0.00 C ATOM 0 H MET B 46 -2.335 9.210 1.752 1.00 0.00 H new ATOM 0 HA MET B 46 -0.759 11.333 2.899 1.00 0.00 H new ATOM 0 HB2 MET B 46 -1.527 10.889 -0.012 1.00 0.00 H new ATOM 0 HB3 MET B 46 -0.164 11.809 0.592 1.00 0.00 H new ATOM 0 HG2 MET B 46 0.792 9.683 1.496 1.00 0.00 H new ATOM 0 HG3 MET B 46 -0.521 8.816 0.726 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.105 10.743 -1.154 1.00 0.00 H new ATOM 0 HE2 MET B 46 1.849 11.870 -0.586 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.590 10.717 0.550 1.00 0.00 H new ATOM 1872 N ASN B 47 -3.621 11.835 1.381 1.00 0.00 N ATOM 1873 CA ASN B 47 -4.526 12.869 0.926 1.00 0.00 C ATOM 1874 C ASN B 47 -5.965 12.484 1.019 1.00 0.00 C ATOM 1875 O ASN B 47 -6.778 13.159 1.642 1.00 0.00 O ATOM 1876 CB ASN B 47 -4.155 13.236 -0.512 1.00 0.00 C ATOM 1877 CG ASN B 47 -4.985 14.353 -1.110 1.00 0.00 C ATOM 1878 OD1 ASN B 47 -5.436 15.263 -0.409 1.00 0.00 O ATOM 1879 ND2 ASN B 47 -5.182 14.295 -2.404 1.00 0.00 N ATOM 0 H ASN B 47 -3.933 10.876 1.225 1.00 0.00 H new ATOM 0 HA ASN B 47 -4.413 13.728 1.587 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -3.105 13.526 -0.540 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -4.258 12.349 -1.138 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -5.727 15.021 -2.870 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -4.791 13.524 -2.945 1.00 0.00 H new ATOM 1886 N VAL B 48 -6.254 11.421 0.422 1.00 0.00 N ATOM 1887 CA VAL B 48 -7.619 10.923 0.311 1.00 0.00 C ATOM 1888 C VAL B 48 -7.956 10.121 1.520 1.00 0.00 C ATOM 1889 O VAL B 48 -7.828 8.894 1.545 1.00 0.00 O ATOM 1890 CB VAL B 48 -7.827 10.067 -0.933 1.00 0.00 C ATOM 1891 CG1 VAL B 48 -9.305 9.756 -1.155 1.00 0.00 C ATOM 1892 CG2 VAL B 48 -7.204 10.713 -2.150 1.00 0.00 C ATOM 0 H VAL B 48 -5.560 10.826 -0.030 1.00 0.00 H new ATOM 0 HA VAL B 48 -8.275 11.790 0.229 1.00 0.00 H new ATOM 0 HB VAL B 48 -7.319 9.116 -0.771 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -9.418 9.144 -2.050 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -9.696 9.214 -0.294 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -9.858 10.687 -1.280 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -7.368 10.080 -3.022 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -7.661 11.688 -2.318 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -6.133 10.837 -1.988 1.00 0.00 H new ATOM 1902 N LYS B 49 -8.367 10.814 2.493 1.00 0.00 N ATOM 1903 CA LYS B 49 -8.618 10.265 3.777 1.00 0.00 C ATOM 1904 C LYS B 49 -9.989 9.603 3.848 1.00 0.00 C ATOM 1905 O LYS B 49 -10.961 10.237 4.257 1.00 0.00 O ATOM 1906 CB LYS B 49 -8.505 11.355 4.825 1.00 0.00 C ATOM 1907 CG LYS B 49 -7.155 12.057 4.891 1.00 0.00 C ATOM 1908 CD LYS B 49 -6.060 11.150 5.431 1.00 0.00 C ATOM 1909 CE LYS B 49 -4.773 11.923 5.681 1.00 0.00 C ATOM 1910 NZ LYS B 49 -4.953 12.995 6.692 1.00 0.00 N ATOM 0 H LYS B 49 -8.549 11.816 2.430 1.00 0.00 H new ATOM 0 HA LYS B 49 -7.873 9.493 3.969 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -9.275 12.102 4.633 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -8.718 10.921 5.802 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -6.879 12.403 3.895 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -7.238 12.940 5.524 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -6.394 10.686 6.359 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -5.870 10.344 4.722 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -3.997 11.235 6.017 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -4.427 12.362 4.745 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -4.024 13.289 7.056 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -5.426 13.810 6.253 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -5.535 12.638 7.477 1.00 0.00 H new ATOM 1924 N ASP B 50 -10.049 8.355 3.381 1.00 0.00 N ATOM 1925 CA ASP B 50 -11.259 7.497 3.412 1.00 0.00 C ATOM 1926 C ASP B 50 -12.482 8.201 2.807 1.00 0.00 C ATOM 1927 O ASP B 50 -13.228 8.908 3.503 1.00 0.00 O ATOM 1928 CB ASP B 50 -11.554 7.008 4.844 1.00 0.00 C ATOM 1929 CG ASP B 50 -12.689 6.004 4.931 1.00 0.00 C ATOM 1930 OD1 ASP B 50 -13.857 6.405 5.112 1.00 0.00 O ATOM 1931 OD2 ASP B 50 -12.418 4.786 4.874 1.00 0.00 O ATOM 0 H ASP B 50 -9.245 7.892 2.959 1.00 0.00 H new ATOM 0 HA ASP B 50 -11.050 6.626 2.790 1.00 0.00 H new ATOM 0 HB2 ASP B 50 -10.651 6.557 5.256 1.00 0.00 H new ATOM 0 HB3 ASP B 50 -11.795 7.868 5.469 1.00 0.00 H new ATOM 1936 N LYS B 51 -12.684 8.051 1.512 1.00 0.00 N ATOM 1937 CA LYS B 51 -13.786 8.760 0.864 1.00 0.00 C ATOM 1938 C LYS B 51 -14.913 7.821 0.509 1.00 0.00 C ATOM 1939 O LYS B 51 -15.864 8.198 -0.178 1.00 0.00 O ATOM 1940 CB LYS B 51 -13.334 9.552 -0.378 1.00 0.00 C ATOM 1941 CG LYS B 51 -12.920 8.708 -1.580 1.00 0.00 C ATOM 1942 CD LYS B 51 -12.710 9.590 -2.803 1.00 0.00 C ATOM 1943 CE LYS B 51 -12.481 8.781 -4.071 1.00 0.00 C ATOM 1944 NZ LYS B 51 -11.223 8.006 -4.043 1.00 0.00 N ATOM 0 H LYS B 51 -12.121 7.464 0.897 1.00 0.00 H new ATOM 0 HA LYS B 51 -14.152 9.483 1.593 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -14.146 10.212 -0.682 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -12.495 10.188 -0.096 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -12.002 8.166 -1.353 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -13.687 7.962 -1.789 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -13.580 10.232 -2.938 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -11.854 10.244 -2.633 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -13.318 8.098 -4.216 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -12.467 9.455 -4.928 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -11.122 7.476 -4.932 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -10.418 8.655 -3.933 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -11.243 7.341 -3.244 1.00 0.00 H new ATOM 1958 N VAL B 52 -14.822 6.618 0.992 1.00 0.00 N ATOM 1959 CA VAL B 52 -15.818 5.614 0.710 1.00 0.00 C ATOM 1960 C VAL B 52 -17.101 5.821 1.527 1.00 0.00 C ATOM 1961 O VAL B 52 -17.276 5.256 2.613 1.00 0.00 O ATOM 1962 CB VAL B 52 -15.275 4.150 0.853 1.00 0.00 C ATOM 1963 CG1 VAL B 52 -14.317 3.830 -0.282 1.00 0.00 C ATOM 1964 CG2 VAL B 52 -14.561 3.944 2.196 1.00 0.00 C ATOM 0 H VAL B 52 -14.060 6.300 1.591 1.00 0.00 H new ATOM 0 HA VAL B 52 -16.076 5.746 -0.341 1.00 0.00 H new ATOM 0 HB VAL B 52 -16.131 3.477 0.811 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -13.948 2.811 -0.170 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -14.837 3.925 -1.235 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -13.478 4.525 -0.256 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -14.197 2.918 2.261 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -13.719 4.633 2.270 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -15.258 4.134 3.012 1.00 0.00 H new ATOM 1974 N HIS B 53 -17.950 6.719 1.059 1.00 0.00 N ATOM 1975 CA HIS B 53 -19.235 6.910 1.698 1.00 0.00 C ATOM 1976 C HIS B 53 -20.227 5.933 1.103 1.00 0.00 C ATOM 1977 O HIS B 53 -21.213 5.558 1.725 1.00 0.00 O ATOM 1978 CB HIS B 53 -19.726 8.385 1.677 1.00 0.00 C ATOM 1979 CG HIS B 53 -19.948 8.995 0.323 1.00 0.00 C ATOM 1980 ND1 HIS B 53 -20.975 8.833 -0.540 1.00 0.00 N flip ATOM 1981 CD2 HIS B 53 -19.103 9.908 -0.260 1.00 0.00 C flip ATOM 1982 CE1 HIS B 53 -20.775 9.635 -1.648 1.00 0.00 C flip ATOM 1983 NE2 HIS B 53 -19.628 10.267 -1.430 1.00 0.00 N flip ATOM 0 H HIS B 53 -17.775 7.318 0.252 1.00 0.00 H new ATOM 0 HA HIS B 53 -19.130 6.695 2.761 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -20.661 8.442 2.235 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -18.998 8.995 2.212 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -18.175 10.271 0.157 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -21.418 9.728 -2.511 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -19.206 10.937 -2.072 1.00 0.00 H new ATOM 1991 N LYS B 54 -19.940 5.532 -0.105 1.00 0.00 N ATOM 1992 CA LYS B 54 -20.642 4.454 -0.746 1.00 0.00 C ATOM 1993 C LYS B 54 -19.791 3.236 -0.536 1.00 0.00 C ATOM 1994 O LYS B 54 -18.557 3.316 -0.665 1.00 0.00 O ATOM 1995 CB LYS B 54 -20.843 4.703 -2.252 1.00 0.00 C ATOM 1996 CG LYS B 54 -21.801 5.840 -2.599 1.00 0.00 C ATOM 1997 CD LYS B 54 -23.222 5.526 -2.142 1.00 0.00 C ATOM 1998 CE LYS B 54 -24.206 6.623 -2.529 1.00 0.00 C ATOM 1999 NZ LYS B 54 -23.877 7.920 -1.903 1.00 0.00 N ATOM 0 H LYS B 54 -19.205 5.948 -0.677 1.00 0.00 H new ATOM 0 HA LYS B 54 -21.641 4.346 -0.323 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -19.873 4.916 -2.702 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -21.212 3.785 -2.710 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -21.460 6.762 -2.128 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -21.792 6.010 -3.676 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -23.543 4.581 -2.581 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -23.233 5.395 -1.060 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -24.212 6.737 -3.613 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -25.212 6.325 -2.235 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -24.703 8.271 -1.377 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -23.077 7.797 -1.250 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -23.620 8.606 -2.641 1.00 0.00 H new ATOM 2013 N LEU B 55 -20.397 2.144 -0.191 1.00 0.00 N ATOM 2014 CA LEU B 55 -19.650 0.947 0.113 1.00 0.00 C ATOM 2015 C LEU B 55 -19.099 0.302 -1.149 1.00 0.00 C ATOM 2016 O LEU B 55 -19.588 0.551 -2.267 1.00 0.00 O ATOM 2017 CB LEU B 55 -20.482 -0.071 0.931 1.00 0.00 C ATOM 2018 CG LEU B 55 -20.818 0.289 2.402 1.00 0.00 C ATOM 2019 CD1 LEU B 55 -21.758 1.488 2.516 1.00 0.00 C ATOM 2020 CD2 LEU B 55 -21.404 -0.914 3.116 1.00 0.00 C ATOM 0 H LEU B 55 -21.409 2.048 -0.110 1.00 0.00 H new ATOM 0 HA LEU B 55 -18.809 1.253 0.735 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -21.421 -0.237 0.404 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -19.945 -1.019 0.932 1.00 0.00 H new ATOM 0 HG LEU B 55 -19.882 0.576 2.882 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -21.959 1.694 3.567 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -21.292 2.360 2.057 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -22.695 1.266 2.005 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -21.635 -0.648 4.147 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -22.316 -1.229 2.609 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -20.682 -1.731 3.105 1.00 0.00 H new ATOM 2032 N GLU B 56 -18.076 -0.482 -0.985 1.00 0.00 N ATOM 2033 CA GLU B 56 -17.506 -1.207 -2.076 1.00 0.00 C ATOM 2034 C GLU B 56 -18.311 -2.465 -2.312 1.00 0.00 C ATOM 2035 O GLU B 56 -18.116 -3.492 -1.645 1.00 0.00 O ATOM 2036 CB GLU B 56 -16.030 -1.530 -1.821 1.00 0.00 C ATOM 2037 CG GLU B 56 -15.118 -0.309 -1.797 1.00 0.00 C ATOM 2038 CD GLU B 56 -15.071 0.409 -3.131 1.00 0.00 C ATOM 2039 OE1 GLU B 56 -14.268 0.010 -4.011 1.00 0.00 O ATOM 2040 OE2 GLU B 56 -15.827 1.380 -3.336 1.00 0.00 O ATOM 0 H GLU B 56 -17.614 -0.636 -0.089 1.00 0.00 H new ATOM 0 HA GLU B 56 -17.543 -0.587 -2.972 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -15.943 -2.053 -0.869 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -15.681 -2.215 -2.594 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -15.463 0.383 -1.028 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -14.110 -0.618 -1.519 1.00 0.00 H new ATOM 2047 N HIS B 57 -19.281 -2.356 -3.178 1.00 0.00 N ATOM 2048 CA HIS B 57 -20.126 -3.464 -3.529 1.00 0.00 C ATOM 2049 C HIS B 57 -20.667 -3.272 -4.915 1.00 0.00 C ATOM 2050 O HIS B 57 -20.278 -2.321 -5.617 1.00 0.00 O ATOM 2051 CB HIS B 57 -21.280 -3.672 -2.522 1.00 0.00 C ATOM 2052 CG HIS B 57 -22.317 -2.563 -2.410 1.00 0.00 C ATOM 2053 ND1 HIS B 57 -22.176 -1.249 -2.116 1.00 0.00 N flip ATOM 2054 CD2 HIS B 57 -23.675 -2.771 -2.545 1.00 0.00 C flip ATOM 2055 CE1 HIS B 57 -23.431 -0.649 -2.070 1.00 0.00 C flip ATOM 2056 NE2 HIS B 57 -24.297 -1.610 -2.337 1.00 0.00 N flip ATOM 0 H HIS B 57 -19.509 -1.489 -3.664 1.00 0.00 H new ATOM 0 HA HIS B 57 -19.514 -4.365 -3.496 1.00 0.00 H new ATOM 0 HB2 HIS B 57 -21.798 -4.593 -2.789 1.00 0.00 H new ATOM 0 HB3 HIS B 57 -20.843 -3.826 -1.535 1.00 0.00 H new ATOM 0 HD1 HIS B 57 -21.289 -0.773 -1.954 1.00 0.00 H new ATOM 0 HD2 HIS B 57 -24.151 -3.712 -2.779 1.00 0.00 H new ATOM 0 HE1 HIS B 57 -23.651 0.387 -1.860 1.00 0.00 H new ATOM 2064 N HIS B 58 -21.559 -4.139 -5.310 1.00 0.00 N ATOM 2065 CA HIS B 58 -22.104 -4.076 -6.615 1.00 0.00 C ATOM 2066 C HIS B 58 -23.333 -3.179 -6.621 1.00 0.00 C ATOM 2067 O HIS B 58 -24.444 -3.627 -6.349 1.00 0.00 O ATOM 2068 CB HIS B 58 -22.436 -5.484 -7.146 1.00 0.00 C ATOM 2069 CG HIS B 58 -22.797 -5.560 -8.616 1.00 0.00 C ATOM 2070 ND1 HIS B 58 -22.297 -6.515 -9.465 1.00 0.00 N ATOM 2071 CD2 HIS B 58 -23.659 -4.819 -9.365 1.00 0.00 C ATOM 2072 CE1 HIS B 58 -22.843 -6.335 -10.668 1.00 0.00 C ATOM 2073 NE2 HIS B 58 -23.684 -5.315 -10.660 1.00 0.00 N ATOM 0 H HIS B 58 -21.919 -4.899 -4.732 1.00 0.00 H new ATOM 0 HA HIS B 58 -21.359 -3.646 -7.284 1.00 0.00 H new ATOM 0 HB2 HIS B 58 -21.578 -6.132 -6.967 1.00 0.00 H new ATOM 0 HB3 HIS B 58 -23.266 -5.886 -6.565 1.00 0.00 H new ATOM 0 HD2 HIS B 58 -24.233 -3.977 -9.007 1.00 0.00 H new ATOM 0 HE1 HIS B 58 -22.627 -6.942 -11.535 1.00 0.00 H new ATOM 0 HE2 HIS B 58 -24.236 -4.966 -11.443 1.00 0.00 H new ATOM 2081 N HIS B 59 -23.105 -1.922 -6.837 1.00 0.00 N ATOM 2082 CA HIS B 59 -24.152 -0.954 -7.025 1.00 0.00 C ATOM 2083 C HIS B 59 -23.610 0.148 -7.885 1.00 0.00 C ATOM 2084 O HIS B 59 -22.799 0.967 -7.441 1.00 0.00 O ATOM 2085 CB HIS B 59 -24.714 -0.384 -5.702 1.00 0.00 C ATOM 2086 CG HIS B 59 -25.826 0.623 -5.920 1.00 0.00 C ATOM 2087 ND1 HIS B 59 -25.966 1.790 -5.209 1.00 0.00 N ATOM 2088 CD2 HIS B 59 -26.846 0.616 -6.821 1.00 0.00 C ATOM 2089 CE1 HIS B 59 -27.028 2.443 -5.690 1.00 0.00 C ATOM 2090 NE2 HIS B 59 -27.598 1.771 -6.672 1.00 0.00 N ATOM 0 H HIS B 59 -22.166 -1.526 -6.890 1.00 0.00 H new ATOM 0 HA HIS B 59 -24.994 -1.454 -7.504 1.00 0.00 H new ATOM 0 HB2 HIS B 59 -25.088 -1.204 -5.089 1.00 0.00 H new ATOM 0 HB3 HIS B 59 -23.906 0.089 -5.144 1.00 0.00 H new ATOM 0 HD2 HIS B 59 -27.039 -0.167 -7.540 1.00 0.00 H new ATOM 0 HE1 HIS B 59 -27.375 3.397 -5.322 1.00 0.00 H new ATOM 0 HE2 HIS B 59 -28.421 2.044 -7.210 1.00 0.00 H new ATOM 2098 N HIS B 60 -24.006 0.139 -9.108 1.00 0.00 N ATOM 2099 CA HIS B 60 -23.538 1.104 -10.042 1.00 0.00 C ATOM 2100 C HIS B 60 -24.698 1.926 -10.507 1.00 0.00 C ATOM 2101 O HIS B 60 -25.814 1.409 -10.639 1.00 0.00 O ATOM 2102 CB HIS B 60 -22.844 0.421 -11.236 1.00 0.00 C ATOM 2103 CG HIS B 60 -21.661 -0.426 -10.846 1.00 0.00 C ATOM 2104 ND1 HIS B 60 -21.356 -1.647 -11.404 1.00 0.00 N ATOM 2105 CD2 HIS B 60 -20.700 -0.193 -9.927 1.00 0.00 C ATOM 2106 CE1 HIS B 60 -20.250 -2.108 -10.812 1.00 0.00 C ATOM 2107 NE2 HIS B 60 -19.810 -1.256 -9.902 1.00 0.00 N ATOM 0 H HIS B 60 -24.665 -0.538 -9.492 1.00 0.00 H new ATOM 0 HA HIS B 60 -22.802 1.748 -9.559 1.00 0.00 H new ATOM 0 HB2 HIS B 60 -23.570 -0.203 -11.758 1.00 0.00 H new ATOM 0 HB3 HIS B 60 -22.516 1.186 -11.940 1.00 0.00 H new ATOM 0 HD2 HIS B 60 -20.634 0.688 -9.305 1.00 0.00 H new ATOM 0 HE1 HIS B 60 -19.778 -3.051 -11.046 1.00 0.00 H new ATOM 0 HE2 HIS B 60 -18.988 -1.359 -9.306 1.00 0.00 H new ATOM 2115 N HIS B 61 -24.469 3.197 -10.702 1.00 0.00 N ATOM 2116 CA HIS B 61 -25.503 4.071 -11.207 1.00 0.00 C ATOM 2117 C HIS B 61 -25.632 3.856 -12.697 1.00 0.00 C ATOM 2118 O HIS B 61 -26.686 4.056 -13.277 1.00 0.00 O ATOM 2119 CB HIS B 61 -25.209 5.546 -10.885 1.00 0.00 C ATOM 2120 CG HIS B 61 -25.137 5.846 -9.412 1.00 0.00 C ATOM 2121 ND1 HIS B 61 -24.070 6.468 -8.803 1.00 0.00 N ATOM 2122 CD2 HIS B 61 -26.039 5.608 -8.427 1.00 0.00 C ATOM 2123 CE1 HIS B 61 -24.341 6.583 -7.504 1.00 0.00 C ATOM 2124 NE2 HIS B 61 -25.529 6.076 -7.219 1.00 0.00 N ATOM 0 H HIS B 61 -23.576 3.654 -10.520 1.00 0.00 H new ATOM 0 HA HIS B 61 -26.446 3.828 -10.717 1.00 0.00 H new ATOM 0 HB2 HIS B 61 -24.264 5.828 -11.350 1.00 0.00 H new ATOM 0 HB3 HIS B 61 -25.983 6.167 -11.335 1.00 0.00 H new ATOM 0 HD2 HIS B 61 -26.999 5.132 -8.559 1.00 0.00 H new ATOM 0 HE1 HIS B 61 -23.678 7.031 -6.779 1.00 0.00 H new ATOM 0 HE2 HIS B 61 -25.978 6.036 -6.304 1.00 0.00 H new ATOM 2132 N HIS B 62 -24.548 3.425 -13.299 1.00 0.00 N ATOM 2133 CA HIS B 62 -24.523 3.093 -14.691 1.00 0.00 C ATOM 2134 C HIS B 62 -23.603 1.896 -14.876 1.00 0.00 C ATOM 2135 O HIS B 62 -24.099 0.771 -14.900 1.00 0.00 O ATOM 2136 CB HIS B 62 -24.078 4.289 -15.549 1.00 0.00 C ATOM 2137 CG HIS B 62 -24.126 4.019 -17.025 1.00 0.00 C ATOM 2138 ND1 HIS B 62 -25.291 3.791 -17.720 1.00 0.00 N ATOM 2139 CD2 HIS B 62 -23.122 3.900 -17.928 1.00 0.00 C ATOM 2140 CE1 HIS B 62 -24.978 3.542 -18.989 1.00 0.00 C ATOM 2141 NE2 HIS B 62 -23.665 3.595 -19.177 1.00 0.00 N ATOM 2142 OXT HIS B 62 -22.368 2.069 -14.934 1.00 0.00 O ATOM 0 H HIS B 62 -23.654 3.296 -12.825 1.00 0.00 H new ATOM 0 HA HIS B 62 -25.528 2.838 -15.027 1.00 0.00 H new ATOM 0 HB2 HIS B 62 -24.715 5.144 -15.323 1.00 0.00 H new ATOM 0 HB3 HIS B 62 -23.061 4.567 -15.271 1.00 0.00 H new ATOM 0 HD2 HIS B 62 -22.070 4.022 -17.715 1.00 0.00 H new ATOM 0 HE1 HIS B 62 -25.698 3.325 -19.764 1.00 0.00 H new ATOM 0 HE2 HIS B 62 -23.160 3.445 -20.050 1.00 0.00 H new TER 2150 HIS B 62