USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1054 hydrogens (16 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 LYS NZ :NH3+ -178:sc= -0.69 (180deg=-0.656) USER MOD Set 1.2: A 42 MET CE :methyl 145:sc= -1.64 (180deg=-2.61!) USER MOD Set 2.1: A 32 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.011) USER MOD Set 2.2: A 100 GLN : amide:sc= -1.37 K(o=-1.4,f=-3.1) USER MOD Single : A 1 MET CE :methyl -170:sc= 0 (180deg=-0.0822) USER MOD Single : A 1 MET N :NH3+ -165:sc= 0 (180deg=-0.365) USER MOD Single : A 2 LYS NZ :NH3+ -163:sc= -0.0781 (180deg=-0.395) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -1.63 X(o=-1.6,f=-1.5) USER MOD Single : A 13 ASN : amide:sc= -11.2! C(o=-11!,f=-11!) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.694 F(o=-1.4,f=-0.69) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.4! F(o=-2.6,f=-0.4!) USER MOD Single : A 21 THR OG1 : rot 111:sc= 0.0315 USER MOD Single : A 28 HIS : no HD1:sc= -0.811 K(o=-0.81,f=-2.5!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -2.42 X(o=-2.4,f=-2.5!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.69 USER MOD Single : A 48 GLN : amide:sc= -2.93 X(o=-2.9,f=-2.7) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 135:sc= 1.17 USER MOD Single : A 63 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -12.8! C(o=-16!,f=-13!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -1.02 F(o=-2.9,f=-1) USER MOD Single : A 81 THR OG1 : rot -150:sc= -1.41 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 162:sc= -0.0138 (180deg=-0.206) USER MOD Single : A 106 SER OG : rot 170:sc= -2.88! USER MOD Single : A 111 ASN :FLIP amide:sc= -0.935 F(o=-2.7,f=-0.94) USER MOD Single : A 119 ASN : amide:sc= -8.05! C(o=-8.1!,f=-15!) USER MOD Single : A 125 LYS NZ :NH3+ 160:sc= 0.811 (180deg=0.542) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 8OG O3' : rot 80:sc= -0.301 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.706 -24.345 -2.089 1.00 0.00 N ATOM 2 CA MET A 1 -6.973 -23.490 -1.120 1.00 0.00 C ATOM 3 C MET A 1 -7.310 -22.017 -1.321 1.00 0.00 C ATOM 4 O MET A 1 -6.905 -21.407 -2.310 1.00 0.00 O ATOM 5 CB MET A 1 -5.471 -23.718 -1.308 1.00 0.00 C ATOM 6 CG MET A 1 -5.082 -25.186 -1.383 1.00 0.00 C ATOM 7 SD MET A 1 -3.392 -25.485 -0.831 1.00 0.00 S ATOM 8 CE MET A 1 -2.473 -24.463 -1.979 1.00 0.00 C ATOM 0 H1 MET A 1 -7.664 -25.337 -1.778 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.699 -24.040 -2.140 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.269 -24.258 -3.029 1.00 0.00 H new ATOM 0 HA MET A 1 -7.271 -23.760 -0.107 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.148 -23.218 -2.221 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.935 -23.251 -0.482 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.769 -25.772 -0.772 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.192 -25.535 -2.410 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.408 -24.676 -1.884 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.797 -24.678 -2.997 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.654 -23.412 -1.756 1.00 0.00 H new ATOM 20 N LYS A 2 -8.054 -21.449 -0.377 1.00 0.00 N ATOM 21 CA LYS A 2 -8.444 -20.046 -0.453 1.00 0.00 C ATOM 22 C LYS A 2 -7.333 -19.144 0.076 1.00 0.00 C ATOM 23 O LYS A 2 -7.145 -19.018 1.286 1.00 0.00 O ATOM 24 CB LYS A 2 -9.735 -19.811 0.336 1.00 0.00 C ATOM 25 CG LYS A 2 -10.869 -19.254 -0.510 1.00 0.00 C ATOM 26 CD LYS A 2 -12.101 -20.144 -0.452 1.00 0.00 C ATOM 27 CE LYS A 2 -11.847 -21.489 -1.112 1.00 0.00 C ATOM 28 NZ LYS A 2 -11.484 -21.343 -2.549 1.00 0.00 N ATOM 0 H LYS A 2 -8.399 -21.939 0.449 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.619 -19.797 -1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.054 -20.752 0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.531 -19.122 1.155 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.126 -18.253 -0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.538 -19.157 -1.544 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.392 -20.297 0.587 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.935 -19.646 -0.947 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.045 -22.006 -0.586 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.738 -22.111 -1.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.599 -22.257 -3.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -12.104 -20.637 -2.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -10.494 -21.033 -2.627 1.00 0.00 H new ATOM 42 N LYS A 3 -6.603 -18.518 -0.841 1.00 0.00 N ATOM 43 CA LYS A 3 -5.510 -17.623 -0.477 1.00 0.00 C ATOM 44 C LYS A 3 -5.488 -16.399 -1.387 1.00 0.00 C ATOM 45 O LYS A 3 -5.669 -16.514 -2.599 1.00 0.00 O ATOM 46 CB LYS A 3 -4.170 -18.359 -0.554 1.00 0.00 C ATOM 47 CG LYS A 3 -3.789 -18.785 -1.962 1.00 0.00 C ATOM 48 CD LYS A 3 -2.849 -17.783 -2.611 1.00 0.00 C ATOM 49 CE LYS A 3 -1.466 -17.824 -1.979 1.00 0.00 C ATOM 50 NZ LYS A 3 -0.602 -18.865 -2.600 1.00 0.00 N ATOM 0 H LYS A 3 -6.749 -18.614 -1.846 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.671 -17.289 0.548 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.387 -17.714 -0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.213 -19.241 0.084 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.313 -19.765 -1.931 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.689 -18.887 -2.569 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.769 -17.995 -3.677 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.264 -16.779 -2.516 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.991 -16.849 -2.083 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.561 -18.021 -0.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.331 -18.860 -2.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.043 -19.799 -2.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.490 -18.664 -3.614 1.00 0.00 H new ATOM 64 N LEU A 4 -5.253 -15.226 -0.802 1.00 0.00 N ATOM 65 CA LEU A 4 -5.194 -13.985 -1.566 1.00 0.00 C ATOM 66 C LEU A 4 -4.196 -13.017 -0.934 1.00 0.00 C ATOM 67 O LEU A 4 -4.308 -12.693 0.248 1.00 0.00 O ATOM 68 CB LEU A 4 -6.582 -13.344 -1.633 1.00 0.00 C ATOM 69 CG LEU A 4 -7.119 -12.820 -0.300 1.00 0.00 C ATOM 70 CD1 LEU A 4 -6.788 -11.344 -0.133 1.00 0.00 C ATOM 71 CD2 LEU A 4 -8.621 -13.048 -0.202 1.00 0.00 C ATOM 0 H LEU A 4 -5.100 -15.111 0.200 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.861 -14.214 -2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.550 -12.518 -2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.285 -14.077 -2.027 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.636 -13.372 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.178 -10.989 0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.707 -11.209 -0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.242 -10.775 -0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.985 -12.669 0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.122 -12.524 -1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.832 -14.115 -0.273 1.00 0.00 H new ATOM 83 N GLN A 5 -3.212 -12.561 -1.707 1.00 0.00 N ATOM 84 CA GLN A 5 -2.200 -11.644 -1.196 1.00 0.00 C ATOM 85 C GLN A 5 -2.465 -10.212 -1.637 1.00 0.00 C ATOM 86 O GLN A 5 -3.153 -9.967 -2.624 1.00 0.00 O ATOM 87 CB GLN A 5 -0.823 -12.057 -1.707 1.00 0.00 C ATOM 88 CG GLN A 5 -0.542 -13.538 -1.553 1.00 0.00 C ATOM 89 CD GLN A 5 0.888 -13.908 -1.900 1.00 0.00 C ATOM 90 OE1 GLN A 5 1.526 -14.692 -1.197 1.00 0.00 O ATOM 91 NE2 GLN A 5 1.398 -13.344 -2.990 1.00 0.00 N ATOM 0 H GLN A 5 -3.096 -12.813 -2.689 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.238 -11.690 -0.108 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.738 -11.786 -2.759 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.060 -11.493 -1.170 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.750 -13.837 -0.526 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.223 -14.100 -2.193 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.833 -12.700 -3.543 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.355 -13.555 -3.274 1.00 0.00 H new ATOM 100 N ILE A 6 -1.895 -9.270 -0.900 1.00 0.00 N ATOM 101 CA ILE A 6 -2.024 -7.856 -1.189 1.00 0.00 C ATOM 102 C ILE A 6 -0.717 -7.179 -0.789 1.00 0.00 C ATOM 103 O ILE A 6 -0.164 -7.491 0.266 1.00 0.00 O ATOM 104 CB ILE A 6 -3.194 -7.230 -0.405 1.00 0.00 C ATOM 105 CG1 ILE A 6 -4.513 -7.889 -0.804 1.00 0.00 C ATOM 106 CG2 ILE A 6 -3.249 -5.731 -0.641 1.00 0.00 C ATOM 107 CD1 ILE A 6 -4.912 -9.031 0.106 1.00 0.00 C ATOM 0 H ILE A 6 -1.326 -9.471 -0.078 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.228 -7.718 -2.251 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.032 -7.402 0.659 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.302 -7.137 -0.800 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.431 -8.260 -1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.081 -5.305 -0.080 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.316 -5.276 -0.309 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.390 -5.535 -1.704 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.857 -9.454 -0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.141 -9.801 0.083 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.025 -8.662 1.125 1.00 0.00 H new ATOM 119 N ALA A 7 -0.229 -6.235 -1.585 1.00 0.00 N ATOM 120 CA ALA A 7 0.992 -5.524 -1.230 1.00 0.00 C ATOM 121 C ALA A 7 0.729 -4.037 -1.298 1.00 0.00 C ATOM 122 O ALA A 7 0.294 -3.565 -2.329 1.00 0.00 O ATOM 123 CB ALA A 7 2.133 -5.911 -2.162 1.00 0.00 C ATOM 0 H ALA A 7 -0.653 -5.948 -2.467 1.00 0.00 H new ATOM 0 HA ALA A 7 1.288 -5.796 -0.217 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.035 -5.368 -1.878 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.316 -6.983 -2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.866 -5.659 -3.188 1.00 0.00 H new ATOM 129 N VAL A 8 0.982 -3.290 -0.234 1.00 0.00 N ATOM 130 CA VAL A 8 0.732 -1.853 -0.275 1.00 0.00 C ATOM 131 C VAL A 8 1.908 -1.069 0.281 1.00 0.00 C ATOM 132 O VAL A 8 2.685 -1.577 1.080 1.00 0.00 O ATOM 133 CB VAL A 8 -0.563 -1.460 0.483 1.00 0.00 C ATOM 134 CG1 VAL A 8 -1.352 -2.693 0.904 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.253 -0.582 1.691 1.00 0.00 C ATOM 0 H VAL A 8 1.351 -3.641 0.649 1.00 0.00 H new ATOM 0 HA VAL A 8 0.600 -1.597 -1.326 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.180 -0.882 -0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.254 -2.385 1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.628 -3.268 0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.739 -3.310 1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.181 -0.324 2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.399 -1.123 2.376 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.245 0.329 1.360 1.00 0.00 H new ATOM 145 N GLY A 9 2.035 0.173 -0.158 1.00 0.00 N ATOM 146 CA GLY A 9 3.125 0.996 0.305 1.00 0.00 C ATOM 147 C GLY A 9 2.766 2.460 0.436 1.00 0.00 C ATOM 148 O GLY A 9 2.136 3.040 -0.446 1.00 0.00 O ATOM 0 H GLY A 9 1.405 0.622 -0.823 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.463 0.626 1.273 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.963 0.896 -0.385 1.00 0.00 H new ATOM 152 N ILE A 10 3.221 3.062 1.525 1.00 0.00 N ATOM 153 CA ILE A 10 3.010 4.461 1.777 1.00 0.00 C ATOM 154 C ILE A 10 4.096 5.237 1.032 1.00 0.00 C ATOM 155 O ILE A 10 5.275 5.019 1.280 1.00 0.00 O ATOM 156 CB ILE A 10 3.062 4.719 3.297 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.508 4.765 3.812 1.00 0.00 C ATOM 158 CG2 ILE A 10 2.269 3.653 4.042 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.614 4.912 5.315 1.00 0.00 C ATOM 0 H ILE A 10 3.748 2.583 2.255 1.00 0.00 H new ATOM 0 HA ILE A 10 2.032 4.789 1.423 1.00 0.00 H new ATOM 0 HB ILE A 10 2.611 5.694 3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.022 3.853 3.508 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.027 5.597 3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.315 3.848 5.113 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.230 3.676 3.713 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.694 2.671 3.833 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.664 4.937 5.605 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.130 5.838 5.625 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.124 4.067 5.799 1.00 0.00 H new ATOM 171 N ILE A 11 3.713 6.102 0.088 1.00 0.00 N ATOM 172 CA ILE A 11 4.708 6.829 -0.705 1.00 0.00 C ATOM 173 C ILE A 11 5.200 8.124 -0.039 1.00 0.00 C ATOM 174 O ILE A 11 4.471 9.104 0.093 1.00 0.00 O ATOM 175 CB ILE A 11 4.162 7.111 -2.128 1.00 0.00 C ATOM 176 CG1 ILE A 11 5.318 7.236 -3.131 1.00 0.00 C ATOM 177 CG2 ILE A 11 3.266 8.339 -2.154 1.00 0.00 C ATOM 178 CD1 ILE A 11 4.937 7.873 -4.458 1.00 0.00 C ATOM 0 H ILE A 11 2.742 6.313 -0.143 1.00 0.00 H new ATOM 0 HA ILE A 11 5.581 6.180 -0.774 1.00 0.00 H new ATOM 0 HB ILE A 11 3.544 6.264 -2.425 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.115 7.824 -2.676 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.725 6.243 -3.323 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.903 8.503 -3.169 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.418 8.185 -1.486 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.833 9.210 -1.826 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.814 7.921 -5.104 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.164 7.275 -4.940 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.560 8.881 -4.283 1.00 0.00 H new ATOM 190 N ARG A 12 6.454 8.081 0.397 1.00 0.00 N ATOM 191 CA ARG A 12 7.081 9.215 1.084 1.00 0.00 C ATOM 192 C ARG A 12 7.601 10.248 0.085 1.00 0.00 C ATOM 193 O ARG A 12 7.950 9.907 -1.045 1.00 0.00 O ATOM 194 CB ARG A 12 8.226 8.730 1.977 1.00 0.00 C ATOM 195 CG ARG A 12 7.891 8.753 3.460 1.00 0.00 C ATOM 196 CD ARG A 12 8.811 9.691 4.227 1.00 0.00 C ATOM 197 NE ARG A 12 9.972 8.991 4.773 1.00 0.00 N ATOM 198 CZ ARG A 12 11.091 9.601 5.157 1.00 0.00 C ATOM 199 NH1 ARG A 12 11.205 10.920 5.059 1.00 0.00 N ATOM 200 NH2 ARG A 12 12.099 8.890 5.641 1.00 0.00 N ATOM 0 H ARG A 12 7.063 7.270 0.288 1.00 0.00 H new ATOM 0 HA ARG A 12 6.321 9.691 1.704 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.495 7.714 1.689 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.102 9.354 1.801 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.856 9.067 3.595 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.975 7.746 3.868 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.147 10.490 3.566 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.256 10.161 5.039 1.00 0.00 H new ATOM 0 HE ARG A 12 9.922 7.976 4.865 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.432 11.472 4.688 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.065 11.381 5.355 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.017 7.876 5.719 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.957 9.356 5.936 1.00 0.00 H new ATOM 214 N ASN A 13 7.665 11.515 0.510 1.00 0.00 N ATOM 215 CA ASN A 13 8.166 12.587 -0.353 1.00 0.00 C ATOM 216 C ASN A 13 9.190 13.473 0.359 1.00 0.00 C ATOM 217 O ASN A 13 9.607 13.198 1.484 1.00 0.00 O ATOM 218 CB ASN A 13 7.026 13.455 -0.895 1.00 0.00 C ATOM 219 CG ASN A 13 6.023 13.859 0.163 1.00 0.00 C ATOM 220 OD1 ASN A 13 4.872 13.435 0.134 1.00 0.00 O ATOM 221 ND2 ASN A 13 6.453 14.688 1.103 1.00 0.00 N ATOM 0 H ASN A 13 7.378 11.820 1.440 1.00 0.00 H new ATOM 0 HA ASN A 13 8.663 12.094 -1.188 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.447 14.353 -1.348 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.510 12.911 -1.686 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.819 14.997 1.839 1.00 0.00 H new ATOM 0 HD22 ASN A 13 7.418 15.017 1.090 1.00 0.00 H new ATOM 228 N GLU A 14 9.571 14.543 -0.330 1.00 0.00 N ATOM 229 CA GLU A 14 10.530 15.520 0.167 1.00 0.00 C ATOM 230 C GLU A 14 10.163 16.015 1.556 1.00 0.00 C ATOM 231 O GLU A 14 10.950 15.941 2.498 1.00 0.00 O ATOM 232 CB GLU A 14 10.562 16.706 -0.798 1.00 0.00 C ATOM 233 CG GLU A 14 11.419 17.870 -0.322 1.00 0.00 C ATOM 234 CD GLU A 14 10.590 19.055 0.133 1.00 0.00 C ATOM 235 OE1 GLU A 14 9.638 19.425 -0.585 1.00 0.00 O ATOM 236 OE2 GLU A 14 10.895 19.615 1.209 1.00 0.00 O ATOM 0 H GLU A 14 9.217 14.758 -1.262 1.00 0.00 H new ATOM 0 HA GLU A 14 11.507 15.041 0.232 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.935 16.365 -1.764 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.543 17.060 -0.956 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.053 17.538 0.500 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.081 18.183 -1.129 1.00 0.00 H new ATOM 243 N ASN A 15 8.964 16.545 1.641 1.00 0.00 N ATOM 244 CA ASN A 15 8.434 17.110 2.881 1.00 0.00 C ATOM 245 C ASN A 15 8.380 16.090 4.022 1.00 0.00 C ATOM 246 O ASN A 15 8.119 16.457 5.166 1.00 0.00 O ATOM 247 CB ASN A 15 7.042 17.689 2.628 1.00 0.00 C ATOM 248 CG ASN A 15 6.657 18.749 3.642 1.00 0.00 C ATOM 249 OD1 ASN A 15 6.408 18.326 4.876 1.00 0.00 O flip ATOM 250 ND2 ASN A 15 6.584 19.935 3.320 1.00 0.00 N flip ATOM 0 H ASN A 15 8.319 16.601 0.853 1.00 0.00 H new ATOM 0 HA ASN A 15 9.117 17.899 3.195 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.008 18.120 1.627 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.308 16.884 2.653 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.784 20.216 2.360 1.00 0.00 H new ATOM 0 HD22 ASN A 15 6.324 20.637 4.013 1.00 0.00 H new ATOM 257 N ASN A 16 8.616 14.815 3.711 1.00 0.00 N ATOM 258 CA ASN A 16 8.587 13.748 4.719 1.00 0.00 C ATOM 259 C ASN A 16 7.153 13.269 4.966 1.00 0.00 C ATOM 260 O ASN A 16 6.898 12.459 5.860 1.00 0.00 O ATOM 261 CB ASN A 16 9.256 14.205 6.031 1.00 0.00 C ATOM 262 CG ASN A 16 8.278 14.404 7.181 1.00 0.00 C ATOM 263 OD1 ASN A 16 8.079 13.358 7.974 1.00 0.00 O flip ATOM 264 ND2 ASN A 16 7.712 15.483 7.352 1.00 0.00 N flip ATOM 0 H ASN A 16 8.830 14.493 2.767 1.00 0.00 H new ATOM 0 HA ASN A 16 9.160 12.905 4.333 1.00 0.00 H new ATOM 0 HB2 ASN A 16 10.002 13.466 6.324 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.787 15.140 5.851 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.895 16.261 6.718 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.060 15.600 8.128 1.00 0.00 H new ATOM 271 N GLU A 17 6.225 13.754 4.150 1.00 0.00 N ATOM 272 CA GLU A 17 4.830 13.356 4.261 1.00 0.00 C ATOM 273 C GLU A 17 4.515 12.345 3.166 1.00 0.00 C ATOM 274 O GLU A 17 5.116 12.377 2.101 1.00 0.00 O ATOM 275 CB GLU A 17 3.897 14.567 4.162 1.00 0.00 C ATOM 276 CG GLU A 17 4.552 15.895 4.512 1.00 0.00 C ATOM 277 CD GLU A 17 3.770 17.086 3.990 1.00 0.00 C ATOM 278 OE1 GLU A 17 3.611 17.196 2.757 1.00 0.00 O ATOM 279 OE2 GLU A 17 3.316 17.906 4.816 1.00 0.00 O ATOM 0 H GLU A 17 6.415 14.424 3.404 1.00 0.00 H new ATOM 0 HA GLU A 17 4.667 12.901 5.238 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.504 14.626 3.147 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.046 14.410 4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.648 15.974 5.595 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.561 15.918 4.100 1.00 0.00 H new ATOM 286 N ILE A 18 3.664 11.383 3.471 1.00 0.00 N ATOM 287 CA ILE A 18 3.394 10.306 2.523 1.00 0.00 C ATOM 288 C ILE A 18 2.060 10.435 1.791 1.00 0.00 C ATOM 289 O ILE A 18 0.987 10.411 2.395 1.00 0.00 O ATOM 290 CB ILE A 18 3.434 8.958 3.268 1.00 0.00 C ATOM 291 CG1 ILE A 18 3.277 7.782 2.306 1.00 0.00 C ATOM 292 CG2 ILE A 18 2.366 8.916 4.345 1.00 0.00 C ATOM 293 CD1 ILE A 18 1.859 7.538 1.831 1.00 0.00 C ATOM 0 H ILE A 18 3.153 11.320 4.351 1.00 0.00 H new ATOM 0 HA ILE A 18 4.169 10.368 1.759 1.00 0.00 H new ATOM 0 HB ILE A 18 4.411 8.867 3.742 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.912 7.954 1.437 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.643 6.879 2.795 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.408 7.957 4.862 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.538 9.721 5.059 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.384 9.040 3.889 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.844 6.685 1.153 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.219 7.331 2.688 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.493 8.422 1.310 1.00 0.00 H new ATOM 305 N PHE A 19 2.165 10.596 0.468 1.00 0.00 N ATOM 306 CA PHE A 19 1.006 10.759 -0.406 1.00 0.00 C ATOM 307 C PHE A 19 0.088 9.536 -0.382 1.00 0.00 C ATOM 308 O PHE A 19 0.391 8.502 -0.977 1.00 0.00 O ATOM 309 CB PHE A 19 1.467 11.058 -1.849 1.00 0.00 C ATOM 310 CG PHE A 19 0.627 10.414 -2.927 1.00 0.00 C ATOM 311 CD1 PHE A 19 -0.757 10.490 -2.893 1.00 0.00 C ATOM 312 CD2 PHE A 19 1.227 9.723 -3.967 1.00 0.00 C ATOM 313 CE1 PHE A 19 -1.522 9.889 -3.874 1.00 0.00 C ATOM 314 CE2 PHE A 19 0.465 9.121 -4.950 1.00 0.00 C ATOM 315 CZ PHE A 19 -0.911 9.203 -4.902 1.00 0.00 C ATOM 0 H PHE A 19 3.058 10.617 -0.024 1.00 0.00 H new ATOM 0 HA PHE A 19 0.428 11.603 -0.029 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.463 12.137 -2.001 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.498 10.724 -1.963 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.243 11.025 -2.090 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.304 9.654 -4.010 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.599 9.957 -3.836 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.947 8.587 -5.755 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.508 8.731 -5.668 1.00 0.00 H new ATOM 325 N ILE A 20 -1.049 9.688 0.281 1.00 0.00 N ATOM 326 CA ILE A 20 -2.042 8.630 0.357 1.00 0.00 C ATOM 327 C ILE A 20 -3.336 9.095 -0.300 1.00 0.00 C ATOM 328 O ILE A 20 -3.571 10.295 -0.434 1.00 0.00 O ATOM 329 CB ILE A 20 -2.353 8.208 1.810 1.00 0.00 C ATOM 330 CG1 ILE A 20 -1.608 9.089 2.815 1.00 0.00 C ATOM 331 CG2 ILE A 20 -2.007 6.744 2.021 1.00 0.00 C ATOM 332 CD1 ILE A 20 -2.092 8.922 4.238 1.00 0.00 C ATOM 0 H ILE A 20 -1.307 10.541 0.777 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.625 7.767 -0.162 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.421 8.342 1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.544 8.856 2.772 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.718 10.133 2.522 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.232 6.462 3.050 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.595 6.129 1.339 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.946 6.589 1.826 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.520 9.576 4.896 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.149 9.183 4.296 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.957 7.886 4.549 1.00 0.00 H new ATOM 344 N THR A 21 -4.176 8.152 -0.696 1.00 0.00 N ATOM 345 CA THR A 21 -5.446 8.495 -1.320 1.00 0.00 C ATOM 346 C THR A 21 -6.383 9.099 -0.279 1.00 0.00 C ATOM 347 O THR A 21 -6.242 8.830 0.912 1.00 0.00 O ATOM 348 CB THR A 21 -6.081 7.256 -1.956 1.00 0.00 C ATOM 349 OG1 THR A 21 -6.693 6.450 -0.969 1.00 0.00 O ATOM 350 CG2 THR A 21 -5.092 6.389 -2.706 1.00 0.00 C ATOM 0 H THR A 21 -4.005 7.151 -0.598 1.00 0.00 H new ATOM 0 HA THR A 21 -5.269 9.229 -2.106 1.00 0.00 H new ATOM 0 HB THR A 21 -6.812 7.640 -2.668 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.666 6.477 -1.082 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.611 5.529 -3.131 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.634 6.969 -3.507 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.318 6.044 -2.021 1.00 0.00 H new ATOM 358 N ARG A 22 -7.326 9.924 -0.720 1.00 0.00 N ATOM 359 CA ARG A 22 -8.261 10.558 0.205 1.00 0.00 C ATOM 360 C ARG A 22 -9.623 10.783 -0.444 1.00 0.00 C ATOM 361 O ARG A 22 -9.842 11.784 -1.125 1.00 0.00 O ATOM 362 CB ARG A 22 -7.691 11.887 0.709 1.00 0.00 C ATOM 363 CG ARG A 22 -7.582 11.961 2.225 1.00 0.00 C ATOM 364 CD ARG A 22 -6.998 13.289 2.682 1.00 0.00 C ATOM 365 NE ARG A 22 -7.693 14.429 2.088 1.00 0.00 N ATOM 366 CZ ARG A 22 -7.343 14.997 0.935 1.00 0.00 C ATOM 367 NH1 ARG A 22 -6.312 14.532 0.239 1.00 0.00 N ATOM 368 NH2 ARG A 22 -8.028 16.034 0.474 1.00 0.00 N ATOM 0 H ARG A 22 -7.464 10.168 -1.701 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.400 9.885 1.051 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.704 12.039 0.273 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.324 12.702 0.357 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.569 11.825 2.668 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.956 11.145 2.585 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.056 13.355 3.768 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.942 13.331 2.416 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.495 14.813 2.587 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.781 13.733 0.586 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.051 14.973 -0.643 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.822 16.396 1.002 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.761 16.470 -0.409 1.00 0.00 H new ATOM 382 N ARG A 23 -10.538 9.844 -0.217 1.00 0.00 N ATOM 383 CA ARG A 23 -11.890 9.934 -0.767 1.00 0.00 C ATOM 384 C ARG A 23 -11.891 9.889 -2.297 1.00 0.00 C ATOM 385 O ARG A 23 -12.922 10.128 -2.926 1.00 0.00 O ATOM 386 CB ARG A 23 -12.571 11.222 -0.294 1.00 0.00 C ATOM 387 CG ARG A 23 -12.299 11.563 1.162 1.00 0.00 C ATOM 388 CD ARG A 23 -13.324 12.547 1.703 1.00 0.00 C ATOM 389 NE ARG A 23 -12.705 13.597 2.510 1.00 0.00 N ATOM 390 CZ ARG A 23 -13.382 14.389 3.339 1.00 0.00 C ATOM 391 NH1 ARG A 23 -14.694 14.251 3.478 1.00 0.00 N ATOM 392 NH2 ARG A 23 -12.743 15.322 4.033 1.00 0.00 N ATOM 0 H ARG A 23 -10.368 9.010 0.345 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.443 9.068 -0.404 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -12.236 12.049 -0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.647 11.127 -0.440 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.317 10.652 1.760 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.300 11.987 1.257 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -13.865 13.000 0.872 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -14.057 12.011 2.306 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.697 13.731 2.434 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.190 13.535 2.948 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.206 14.861 4.115 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.734 15.432 3.931 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.261 15.929 4.668 1.00 0.00 H new ATOM 406 N ALA A 24 -10.742 9.579 -2.895 1.00 0.00 N ATOM 407 CA ALA A 24 -10.632 9.504 -4.349 1.00 0.00 C ATOM 408 C ALA A 24 -10.894 10.854 -5.016 1.00 0.00 C ATOM 409 O ALA A 24 -11.041 10.929 -6.236 1.00 0.00 O ATOM 410 CB ALA A 24 -11.591 8.455 -4.894 1.00 0.00 C ATOM 0 H ALA A 24 -9.876 9.376 -2.395 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.607 9.217 -4.584 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -11.500 8.408 -5.979 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.347 7.482 -4.467 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.613 8.723 -4.627 1.00 0.00 H new ATOM 416 N ALA A 25 -10.950 11.921 -4.217 1.00 0.00 N ATOM 417 CA ALA A 25 -11.191 13.265 -4.741 1.00 0.00 C ATOM 418 C ALA A 25 -12.297 13.270 -5.795 1.00 0.00 C ATOM 419 O ALA A 25 -12.286 14.092 -6.712 1.00 0.00 O ATOM 420 CB ALA A 25 -9.908 13.839 -5.322 1.00 0.00 C ATOM 0 H ALA A 25 -10.832 11.880 -3.205 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.522 13.890 -3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.100 14.840 -5.709 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.147 13.891 -4.543 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.556 13.198 -6.131 1.00 0.00 H new ATOM 426 N ASP A 26 -13.247 12.350 -5.660 1.00 0.00 N ATOM 427 CA ASP A 26 -14.354 12.254 -6.606 1.00 0.00 C ATOM 428 C ASP A 26 -15.677 11.981 -5.893 1.00 0.00 C ATOM 429 O ASP A 26 -16.672 11.633 -6.529 1.00 0.00 O ATOM 430 CB ASP A 26 -14.075 11.154 -7.629 1.00 0.00 C ATOM 431 CG ASP A 26 -13.985 11.688 -9.045 1.00 0.00 C ATOM 432 OD1 ASP A 26 -13.355 12.750 -9.240 1.00 0.00 O ATOM 433 OD2 ASP A 26 -14.543 11.046 -9.959 1.00 0.00 O ATOM 0 H ASP A 26 -13.273 11.662 -4.907 1.00 0.00 H new ATOM 0 HA ASP A 26 -14.440 13.212 -7.118 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -13.142 10.653 -7.373 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -14.865 10.404 -7.576 1.00 0.00 H new ATOM 438 N ALA A 27 -15.689 12.142 -4.571 1.00 0.00 N ATOM 439 CA ALA A 27 -16.895 11.914 -3.782 1.00 0.00 C ATOM 440 C ALA A 27 -17.488 10.536 -4.062 1.00 0.00 C ATOM 441 O ALA A 27 -18.201 10.344 -5.047 1.00 0.00 O ATOM 442 CB ALA A 27 -17.923 12.998 -4.066 1.00 0.00 C ATOM 0 H ALA A 27 -14.877 12.429 -4.025 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.620 11.953 -2.728 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -18.818 12.816 -3.471 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.507 13.971 -3.806 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -18.182 12.985 -5.125 1.00 0.00 H new ATOM 448 N HIS A 28 -17.191 9.580 -3.188 1.00 0.00 N ATOM 449 CA HIS A 28 -17.695 8.220 -3.342 1.00 0.00 C ATOM 450 C HIS A 28 -17.305 7.357 -2.147 1.00 0.00 C ATOM 451 O HIS A 28 -18.156 6.953 -1.355 1.00 0.00 O ATOM 452 CB HIS A 28 -17.161 7.598 -4.633 1.00 0.00 C ATOM 453 CG HIS A 28 -17.729 6.243 -4.923 1.00 0.00 C ATOM 454 ND1 HIS A 28 -17.526 5.151 -4.105 1.00 0.00 N ATOM 455 CD2 HIS A 28 -18.499 5.805 -5.947 1.00 0.00 C ATOM 456 CE1 HIS A 28 -18.144 4.100 -4.615 1.00 0.00 C ATOM 457 NE2 HIS A 28 -18.742 4.470 -5.732 1.00 0.00 N ATOM 0 H HIS A 28 -16.604 9.722 -2.366 1.00 0.00 H new ATOM 0 HA HIS A 28 -18.783 8.266 -3.394 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -17.385 8.263 -5.467 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -16.076 7.522 -4.568 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -18.856 6.395 -6.778 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -18.157 3.107 -4.190 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -19.295 3.863 -6.337 1.00 0.00 H new ATOM 466 N MET A 29 -16.011 7.075 -2.025 1.00 0.00 N ATOM 467 CA MET A 29 -15.507 6.257 -0.928 1.00 0.00 C ATOM 468 C MET A 29 -14.535 7.049 -0.059 1.00 0.00 C ATOM 469 O MET A 29 -13.324 7.020 -0.278 1.00 0.00 O ATOM 470 CB MET A 29 -14.818 5.004 -1.473 1.00 0.00 C ATOM 471 CG MET A 29 -14.963 3.789 -0.573 1.00 0.00 C ATOM 472 SD MET A 29 -16.680 3.284 -0.360 1.00 0.00 S ATOM 473 CE MET A 29 -16.680 1.711 -1.216 1.00 0.00 C ATOM 0 H MET A 29 -15.293 7.401 -2.672 1.00 0.00 H new ATOM 0 HA MET A 29 -16.355 5.958 -0.312 1.00 0.00 H new ATOM 0 HB2 MET A 29 -15.231 4.770 -2.454 1.00 0.00 H new ATOM 0 HB3 MET A 29 -13.758 5.215 -1.616 1.00 0.00 H new ATOM 0 HG2 MET A 29 -14.394 2.960 -0.994 1.00 0.00 H new ATOM 0 HG3 MET A 29 -14.530 4.010 0.402 1.00 0.00 H new ATOM 0 HE1 MET A 29 -17.677 1.272 -1.171 1.00 0.00 H new ATOM 0 HE2 MET A 29 -16.397 1.864 -2.257 1.00 0.00 H new ATOM 0 HE3 MET A 29 -15.966 1.038 -0.741 1.00 0.00 H new ATOM 483 N ALA A 30 -15.076 7.756 0.928 1.00 0.00 N ATOM 484 CA ALA A 30 -14.259 8.558 1.833 1.00 0.00 C ATOM 485 C ALA A 30 -13.393 7.674 2.728 1.00 0.00 C ATOM 486 O ALA A 30 -12.395 8.132 3.286 1.00 0.00 O ATOM 487 CB ALA A 30 -15.144 9.460 2.679 1.00 0.00 C ATOM 0 H ALA A 30 -16.077 7.790 1.122 1.00 0.00 H new ATOM 0 HA ALA A 30 -13.595 9.177 1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.523 10.053 3.350 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -15.713 10.124 2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -15.831 8.850 3.265 1.00 0.00 H new ATOM 493 N ASN A 31 -13.780 6.409 2.864 1.00 0.00 N ATOM 494 CA ASN A 31 -13.038 5.467 3.693 1.00 0.00 C ATOM 495 C ASN A 31 -12.057 4.651 2.853 1.00 0.00 C ATOM 496 O ASN A 31 -11.776 3.494 3.162 1.00 0.00 O ATOM 497 CB ASN A 31 -14.008 4.532 4.423 1.00 0.00 C ATOM 498 CG ASN A 31 -14.036 4.779 5.919 1.00 0.00 C ATOM 499 OD1 ASN A 31 -13.793 3.873 6.715 1.00 0.00 O ATOM 500 ND2 ASN A 31 -14.332 6.014 6.308 1.00 0.00 N ATOM 0 H ASN A 31 -14.603 6.013 2.410 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.467 6.036 4.427 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.011 4.665 4.017 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -13.722 3.497 4.234 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -14.365 6.242 7.302 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.527 6.735 5.613 1.00 0.00 H new ATOM 507 N LYS A 32 -11.546 5.259 1.786 1.00 0.00 N ATOM 508 CA LYS A 32 -10.604 4.581 0.900 1.00 0.00 C ATOM 509 C LYS A 32 -9.225 5.218 0.952 1.00 0.00 C ATOM 510 O LYS A 32 -8.460 5.135 -0.006 1.00 0.00 O ATOM 511 CB LYS A 32 -11.122 4.576 -0.536 1.00 0.00 C ATOM 512 CG LYS A 32 -10.798 3.299 -1.295 1.00 0.00 C ATOM 513 CD LYS A 32 -12.020 2.406 -1.435 1.00 0.00 C ATOM 514 CE LYS A 32 -11.640 1.011 -1.905 1.00 0.00 C ATOM 515 NZ LYS A 32 -11.037 1.026 -3.267 1.00 0.00 N ATOM 0 H LYS A 32 -11.767 6.217 1.514 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.514 3.553 1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.203 4.718 -0.524 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.695 5.425 -1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.415 3.550 -2.284 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.008 2.757 -0.775 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.536 2.340 -0.477 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.719 2.852 -2.143 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.934 0.571 -1.201 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.526 0.376 -1.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.088 0.073 -3.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.559 1.693 -3.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.042 1.323 -3.203 1.00 0.00 H new ATOM 529 N LEU A 33 -8.921 5.849 2.074 1.00 0.00 N ATOM 530 CA LEU A 33 -7.628 6.506 2.276 1.00 0.00 C ATOM 531 C LEU A 33 -6.495 5.475 2.286 1.00 0.00 C ATOM 532 O LEU A 33 -5.824 5.284 3.298 1.00 0.00 O ATOM 533 CB LEU A 33 -7.652 7.282 3.599 1.00 0.00 C ATOM 534 CG LEU A 33 -6.661 8.442 3.708 1.00 0.00 C ATOM 535 CD1 LEU A 33 -6.742 9.083 5.086 1.00 0.00 C ATOM 536 CD2 LEU A 33 -5.248 7.961 3.429 1.00 0.00 C ATOM 0 H LEU A 33 -9.555 5.924 2.870 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.449 7.199 1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.658 7.673 3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.455 6.583 4.412 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.924 9.192 2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.030 9.906 5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.750 9.462 5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.503 8.340 5.847 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.556 8.799 3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.975 7.193 4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.197 7.545 2.423 1.00 0.00 H new ATOM 548 N GLU A 34 -6.302 4.802 1.153 1.00 0.00 N ATOM 549 CA GLU A 34 -5.278 3.767 1.025 1.00 0.00 C ATOM 550 C GLU A 34 -4.109 4.219 0.152 1.00 0.00 C ATOM 551 O GLU A 34 -4.116 5.319 -0.400 1.00 0.00 O ATOM 552 CB GLU A 34 -5.915 2.503 0.429 1.00 0.00 C ATOM 553 CG GLU A 34 -5.218 1.199 0.795 1.00 0.00 C ATOM 554 CD GLU A 34 -4.866 1.102 2.266 1.00 0.00 C ATOM 555 OE1 GLU A 34 -5.552 1.746 3.085 1.00 0.00 O ATOM 556 OE2 GLU A 34 -3.905 0.377 2.598 1.00 0.00 O ATOM 0 H GLU A 34 -6.846 4.957 0.304 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.879 3.561 2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.953 2.448 0.757 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.929 2.598 -0.657 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.863 0.362 0.527 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.308 1.103 0.203 1.00 0.00 H new ATOM 563 N PHE A 35 -3.108 3.350 0.036 1.00 0.00 N ATOM 564 CA PHE A 35 -1.920 3.628 -0.767 1.00 0.00 C ATOM 565 C PHE A 35 -1.764 2.594 -1.888 1.00 0.00 C ATOM 566 O PHE A 35 -2.430 1.557 -1.884 1.00 0.00 O ATOM 567 CB PHE A 35 -0.648 3.635 0.103 1.00 0.00 C ATOM 568 CG PHE A 35 -0.866 3.344 1.566 1.00 0.00 C ATOM 569 CD1 PHE A 35 -1.412 2.139 1.978 1.00 0.00 C ATOM 570 CD2 PHE A 35 -0.510 4.275 2.529 1.00 0.00 C ATOM 571 CE1 PHE A 35 -1.602 1.869 3.320 1.00 0.00 C ATOM 572 CE2 PHE A 35 -0.700 4.012 3.873 1.00 0.00 C ATOM 573 CZ PHE A 35 -1.246 2.809 4.268 1.00 0.00 C ATOM 0 H PHE A 35 -3.097 2.438 0.493 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.051 4.617 -1.207 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.050 2.899 -0.297 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.170 4.610 0.011 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.693 1.401 1.241 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.079 5.218 2.226 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.028 0.925 3.627 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.421 4.748 4.613 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.395 2.602 5.317 1.00 0.00 H new ATOM 583 N PRO A 36 -0.859 2.852 -2.854 1.00 0.00 N ATOM 584 CA PRO A 36 -0.585 1.939 -3.974 1.00 0.00 C ATOM 585 C PRO A 36 -0.400 0.502 -3.498 1.00 0.00 C ATOM 586 O PRO A 36 -0.248 0.258 -2.301 1.00 0.00 O ATOM 587 CB PRO A 36 0.735 2.464 -4.570 1.00 0.00 C ATOM 588 CG PRO A 36 1.208 3.539 -3.645 1.00 0.00 C ATOM 589 CD PRO A 36 -0.008 4.047 -2.929 1.00 0.00 C ATOM 0 HA PRO A 36 -1.408 1.919 -4.688 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.472 1.665 -4.649 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.580 2.855 -5.576 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.940 3.149 -2.938 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.696 4.341 -4.199 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.236 4.433 -1.939 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -0.492 4.856 -3.476 1.00 0.00 H new ATOM 597 N GLY A 37 -0.402 -0.454 -4.430 1.00 0.00 N ATOM 598 CA GLY A 37 -0.220 -1.839 -4.035 1.00 0.00 C ATOM 599 C GLY A 37 -1.496 -2.659 -3.993 1.00 0.00 C ATOM 600 O GLY A 37 -1.881 -3.197 -2.955 1.00 0.00 O ATOM 0 H GLY A 37 -0.524 -0.296 -5.430 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.477 -2.312 -4.727 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.244 -1.864 -3.049 1.00 0.00 H new ATOM 604 N GLY A 38 -2.131 -2.754 -5.134 1.00 0.00 N ATOM 605 CA GLY A 38 -3.358 -3.518 -5.263 1.00 0.00 C ATOM 606 C GLY A 38 -3.329 -4.443 -6.471 1.00 0.00 C ATOM 607 O GLY A 38 -3.213 -3.970 -7.601 1.00 0.00 O ATOM 0 H GLY A 38 -1.819 -2.309 -5.997 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.515 -4.107 -4.359 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.203 -2.835 -5.350 1.00 0.00 H new ATOM 611 N LYS A 39 -3.433 -5.762 -6.230 1.00 0.00 N ATOM 612 CA LYS A 39 -3.419 -6.773 -7.295 1.00 0.00 C ATOM 613 C LYS A 39 -2.021 -7.346 -7.508 1.00 0.00 C ATOM 614 O LYS A 39 -1.718 -7.881 -8.575 1.00 0.00 O ATOM 615 CB LYS A 39 -3.956 -6.224 -8.619 1.00 0.00 C ATOM 616 CG LYS A 39 -4.096 -7.290 -9.689 1.00 0.00 C ATOM 617 CD LYS A 39 -5.387 -7.131 -10.480 1.00 0.00 C ATOM 618 CE LYS A 39 -6.612 -7.224 -9.583 1.00 0.00 C ATOM 619 NZ LYS A 39 -6.500 -8.337 -8.599 1.00 0.00 N ATOM 0 H LYS A 39 -3.529 -6.153 -5.293 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.081 -7.573 -6.962 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.927 -5.760 -8.447 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.288 -5.441 -8.979 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.245 -7.237 -10.368 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.073 -8.276 -9.225 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.384 -6.169 -10.992 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.440 -7.902 -11.249 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.744 -6.282 -9.051 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.501 -7.371 -10.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.369 -8.387 -8.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.366 -9.236 -9.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.687 -8.167 -7.974 1.00 0.00 H new ATOM 633 N ILE A 40 -1.179 -7.257 -6.488 1.00 0.00 N ATOM 634 CA ILE A 40 0.174 -7.798 -6.581 1.00 0.00 C ATOM 635 C ILE A 40 0.115 -9.313 -6.574 1.00 0.00 C ATOM 636 O ILE A 40 0.919 -9.998 -7.207 1.00 0.00 O ATOM 637 CB ILE A 40 1.101 -7.290 -5.442 1.00 0.00 C ATOM 638 CG1 ILE A 40 1.247 -8.322 -4.307 1.00 0.00 C ATOM 639 CG2 ILE A 40 0.584 -5.970 -4.897 1.00 0.00 C ATOM 640 CD1 ILE A 40 2.677 -8.502 -3.840 1.00 0.00 C ATOM 0 H ILE A 40 -1.403 -6.820 -5.594 1.00 0.00 H new ATOM 0 HA ILE A 40 0.605 -7.445 -7.518 1.00 0.00 H new ATOM 0 HB ILE A 40 2.093 -7.140 -5.869 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.633 -8.011 -3.462 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.860 -9.282 -4.647 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.241 -5.623 -4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.562 -5.230 -5.697 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.423 -6.108 -4.503 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.708 -9.242 -3.040 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.292 -8.842 -4.673 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.061 -7.551 -3.470 1.00 0.00 H new ATOM 652 N GLU A 41 -0.860 -9.813 -5.836 1.00 0.00 N ATOM 653 CA GLU A 41 -1.091 -11.240 -5.690 1.00 0.00 C ATOM 654 C GLU A 41 -0.988 -11.961 -7.033 1.00 0.00 C ATOM 655 O GLU A 41 0.075 -12.469 -7.389 1.00 0.00 O ATOM 656 CB GLU A 41 -2.464 -11.474 -5.051 1.00 0.00 C ATOM 657 CG GLU A 41 -3.529 -10.463 -5.481 1.00 0.00 C ATOM 658 CD GLU A 41 -4.796 -11.125 -5.988 1.00 0.00 C ATOM 659 OE1 GLU A 41 -4.833 -11.503 -7.179 1.00 0.00 O ATOM 660 OE2 GLU A 41 -5.750 -11.266 -5.195 1.00 0.00 O ATOM 0 H GLU A 41 -1.520 -9.235 -5.316 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.319 -11.652 -5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.806 -12.477 -5.305 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.360 -11.438 -3.967 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.774 -9.819 -4.637 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.121 -9.823 -6.263 1.00 0.00 H new ATOM 667 N MET A 42 -2.095 -11.996 -7.774 1.00 0.00 N ATOM 668 CA MET A 42 -2.136 -12.649 -9.084 1.00 0.00 C ATOM 669 C MET A 42 -1.375 -13.982 -9.077 1.00 0.00 C ATOM 670 O MET A 42 -1.946 -15.027 -8.768 1.00 0.00 O ATOM 671 CB MET A 42 -1.570 -11.716 -10.158 1.00 0.00 C ATOM 672 CG MET A 42 -2.493 -10.560 -10.508 1.00 0.00 C ATOM 673 SD MET A 42 -3.932 -11.085 -11.458 1.00 0.00 S ATOM 674 CE MET A 42 -5.148 -11.273 -10.155 1.00 0.00 C ATOM 0 H MET A 42 -2.980 -11.578 -7.488 1.00 0.00 H new ATOM 0 HA MET A 42 -3.179 -12.867 -9.315 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.616 -11.317 -9.814 1.00 0.00 H new ATOM 0 HB3 MET A 42 -1.368 -12.294 -11.060 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.825 -10.075 -9.590 1.00 0.00 H new ATOM 0 HG3 MET A 42 -1.937 -9.816 -11.079 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.129 -10.981 -10.528 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.178 -12.314 -9.832 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.878 -10.639 -9.311 1.00 0.00 H new ATOM 684 N GLY A 43 -0.087 -13.938 -9.420 1.00 0.00 N ATOM 685 CA GLY A 43 0.717 -15.147 -9.445 1.00 0.00 C ATOM 686 C GLY A 43 2.198 -14.863 -9.593 1.00 0.00 C ATOM 687 O GLY A 43 2.949 -15.683 -10.118 1.00 0.00 O ATOM 0 H GLY A 43 0.411 -13.087 -9.680 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.549 -15.709 -8.526 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.389 -15.780 -10.270 1.00 0.00 H new ATOM 691 N GLU A 44 2.606 -13.695 -9.132 1.00 0.00 N ATOM 692 CA GLU A 44 4.003 -13.277 -9.207 1.00 0.00 C ATOM 693 C GLU A 44 4.786 -13.767 -7.989 1.00 0.00 C ATOM 694 O GLU A 44 4.311 -14.624 -7.246 1.00 0.00 O ATOM 695 CB GLU A 44 4.076 -11.753 -9.318 1.00 0.00 C ATOM 696 CG GLU A 44 4.309 -11.256 -10.735 1.00 0.00 C ATOM 697 CD GLU A 44 3.057 -11.319 -11.587 1.00 0.00 C ATOM 698 OE1 GLU A 44 2.734 -12.416 -12.089 1.00 0.00 O ATOM 699 OE2 GLU A 44 2.398 -10.270 -11.752 1.00 0.00 O ATOM 0 H GLU A 44 1.987 -13.010 -8.697 1.00 0.00 H new ATOM 0 HA GLU A 44 4.456 -13.722 -10.093 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.148 -11.325 -8.940 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.879 -11.389 -8.678 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.670 -10.228 -10.701 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.092 -11.853 -11.202 1.00 0.00 H new ATOM 706 N THR A 45 5.984 -13.218 -7.781 1.00 0.00 N ATOM 707 CA THR A 45 6.809 -13.606 -6.647 1.00 0.00 C ATOM 708 C THR A 45 6.652 -12.596 -5.517 1.00 0.00 C ATOM 709 O THR A 45 6.162 -11.487 -5.734 1.00 0.00 O ATOM 710 CB THR A 45 8.280 -13.705 -7.068 1.00 0.00 C ATOM 711 OG1 THR A 45 8.436 -13.379 -8.437 1.00 0.00 O ATOM 712 CG2 THR A 45 8.870 -15.083 -6.855 1.00 0.00 C ATOM 0 H THR A 45 6.399 -12.507 -8.383 1.00 0.00 H new ATOM 0 HA THR A 45 6.482 -14.584 -6.294 1.00 0.00 H new ATOM 0 HB THR A 45 8.810 -12.996 -6.432 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.382 -13.447 -8.684 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.913 -15.085 -7.173 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.812 -15.344 -5.798 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.311 -15.813 -7.440 1.00 0.00 H new ATOM 720 N PRO A 46 7.069 -12.953 -4.293 1.00 0.00 N ATOM 721 CA PRO A 46 6.973 -12.062 -3.140 1.00 0.00 C ATOM 722 C PRO A 46 7.478 -10.660 -3.459 1.00 0.00 C ATOM 723 O PRO A 46 7.009 -9.674 -2.888 1.00 0.00 O ATOM 724 CB PRO A 46 7.864 -12.736 -2.080 1.00 0.00 C ATOM 725 CG PRO A 46 8.569 -13.846 -2.789 1.00 0.00 C ATOM 726 CD PRO A 46 7.673 -14.237 -3.925 1.00 0.00 C ATOM 0 HA PRO A 46 5.942 -11.927 -2.812 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.576 -12.026 -1.659 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.267 -13.118 -1.252 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.544 -13.521 -3.153 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.744 -14.689 -2.120 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.231 -14.677 -4.752 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.924 -14.968 -3.621 1.00 0.00 H new ATOM 734 N GLU A 47 8.442 -10.579 -4.370 1.00 0.00 N ATOM 735 CA GLU A 47 9.016 -9.298 -4.761 1.00 0.00 C ATOM 736 C GLU A 47 8.519 -8.839 -6.134 1.00 0.00 C ATOM 737 O GLU A 47 8.198 -7.667 -6.318 1.00 0.00 O ATOM 738 CB GLU A 47 10.543 -9.390 -4.770 1.00 0.00 C ATOM 739 CG GLU A 47 11.184 -8.991 -3.449 1.00 0.00 C ATOM 740 CD GLU A 47 11.885 -7.649 -3.522 1.00 0.00 C ATOM 741 OE1 GLU A 47 12.501 -7.357 -4.568 1.00 0.00 O ATOM 742 OE2 GLU A 47 11.818 -6.889 -2.532 1.00 0.00 O ATOM 0 H GLU A 47 8.842 -11.385 -4.851 1.00 0.00 H new ATOM 0 HA GLU A 47 8.693 -8.559 -4.028 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.836 -10.411 -5.013 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.933 -8.750 -5.562 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.418 -8.955 -2.674 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.902 -9.756 -3.152 1.00 0.00 H new ATOM 749 N GLN A 48 8.478 -9.756 -7.098 1.00 0.00 N ATOM 750 CA GLN A 48 8.050 -9.424 -8.454 1.00 0.00 C ATOM 751 C GLN A 48 6.538 -9.206 -8.546 1.00 0.00 C ATOM 752 O GLN A 48 6.024 -8.838 -9.601 1.00 0.00 O ATOM 753 CB GLN A 48 8.536 -10.514 -9.433 1.00 0.00 C ATOM 754 CG GLN A 48 7.442 -11.232 -10.212 1.00 0.00 C ATOM 755 CD GLN A 48 7.251 -10.671 -11.610 1.00 0.00 C ATOM 756 OE1 GLN A 48 7.010 -11.415 -12.561 1.00 0.00 O ATOM 757 NE2 GLN A 48 7.360 -9.354 -11.742 1.00 0.00 N ATOM 0 H GLN A 48 8.736 -10.734 -6.965 1.00 0.00 H new ATOM 0 HA GLN A 48 8.506 -8.475 -8.735 1.00 0.00 H new ATOM 0 HB2 GLN A 48 9.224 -10.058 -10.144 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.104 -11.255 -8.871 1.00 0.00 H new ATOM 0 HG2 GLN A 48 7.687 -12.292 -10.281 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.503 -11.157 -9.664 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.561 -8.775 -10.927 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.243 -8.922 -12.659 1.00 0.00 H new ATOM 766 N ALA A 49 5.829 -9.414 -7.441 1.00 0.00 N ATOM 767 CA ALA A 49 4.387 -9.217 -7.426 1.00 0.00 C ATOM 768 C ALA A 49 4.050 -7.741 -7.267 1.00 0.00 C ATOM 769 O ALA A 49 3.309 -7.173 -8.068 1.00 0.00 O ATOM 770 CB ALA A 49 3.749 -10.034 -6.313 1.00 0.00 C ATOM 0 H ALA A 49 6.227 -9.716 -6.552 1.00 0.00 H new ATOM 0 HA ALA A 49 3.983 -9.560 -8.379 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.671 -9.874 -6.317 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.960 -11.092 -6.471 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.159 -9.722 -5.352 1.00 0.00 H new ATOM 776 N VAL A 50 4.606 -7.120 -6.233 1.00 0.00 N ATOM 777 CA VAL A 50 4.369 -5.705 -5.984 1.00 0.00 C ATOM 778 C VAL A 50 5.213 -4.835 -6.906 1.00 0.00 C ATOM 779 O VAL A 50 4.791 -3.752 -7.301 1.00 0.00 O ATOM 780 CB VAL A 50 4.671 -5.311 -4.526 1.00 0.00 C ATOM 781 CG1 VAL A 50 6.018 -5.865 -4.083 1.00 0.00 C ATOM 782 CG2 VAL A 50 4.630 -3.794 -4.380 1.00 0.00 C ATOM 0 H VAL A 50 5.221 -7.573 -5.557 1.00 0.00 H new ATOM 0 HA VAL A 50 3.310 -5.537 -6.181 1.00 0.00 H new ATOM 0 HB VAL A 50 3.907 -5.744 -3.880 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.209 -5.574 -3.050 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.006 -6.952 -4.157 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.804 -5.466 -4.724 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.844 -3.522 -3.346 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.376 -3.345 -5.036 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.640 -3.429 -4.653 1.00 0.00 H new ATOM 792 N VAL A 51 6.406 -5.309 -7.244 1.00 0.00 N ATOM 793 CA VAL A 51 7.295 -4.555 -8.118 1.00 0.00 C ATOM 794 C VAL A 51 6.559 -4.127 -9.381 1.00 0.00 C ATOM 795 O VAL A 51 6.795 -3.038 -9.908 1.00 0.00 O ATOM 796 CB VAL A 51 8.562 -5.359 -8.489 1.00 0.00 C ATOM 797 CG1 VAL A 51 9.356 -4.659 -9.585 1.00 0.00 C ATOM 798 CG2 VAL A 51 9.430 -5.572 -7.259 1.00 0.00 C ATOM 0 H VAL A 51 6.778 -6.205 -6.929 1.00 0.00 H new ATOM 0 HA VAL A 51 7.615 -3.670 -7.569 1.00 0.00 H new ATOM 0 HB VAL A 51 8.247 -6.330 -8.870 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.241 -5.247 -9.825 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.735 -4.557 -10.475 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.660 -3.671 -9.240 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.319 -6.140 -7.535 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.728 -4.606 -6.852 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.866 -6.124 -6.507 1.00 0.00 H new ATOM 808 N ARG A 52 5.660 -4.981 -9.863 1.00 0.00 N ATOM 809 CA ARG A 52 4.892 -4.672 -11.059 1.00 0.00 C ATOM 810 C ARG A 52 3.804 -3.650 -10.754 1.00 0.00 C ATOM 811 O ARG A 52 3.462 -2.818 -11.595 1.00 0.00 O ATOM 812 CB ARG A 52 4.275 -5.949 -11.639 1.00 0.00 C ATOM 813 CG ARG A 52 3.440 -5.710 -12.886 1.00 0.00 C ATOM 814 CD ARG A 52 3.628 -6.822 -13.905 1.00 0.00 C ATOM 815 NE ARG A 52 2.376 -7.174 -14.570 1.00 0.00 N ATOM 816 CZ ARG A 52 2.178 -8.315 -15.224 1.00 0.00 C ATOM 817 NH1 ARG A 52 3.147 -9.220 -15.304 1.00 0.00 N ATOM 818 NH2 ARG A 52 1.008 -8.555 -15.799 1.00 0.00 N ATOM 0 H ARG A 52 5.448 -5.887 -9.444 1.00 0.00 H new ATOM 0 HA ARG A 52 5.568 -4.242 -11.798 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.073 -6.653 -11.876 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.651 -6.419 -10.879 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.387 -5.640 -12.612 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.717 -4.755 -13.333 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.359 -6.510 -14.651 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.035 -7.703 -13.409 1.00 0.00 H new ATOM 0 HE ARG A 52 1.607 -6.505 -14.530 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.049 -9.042 -14.862 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.989 -10.093 -15.807 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.260 -7.865 -15.740 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.856 -9.430 -16.301 1.00 0.00 H new ATOM 832 N GLU A 53 3.296 -3.692 -9.529 1.00 0.00 N ATOM 833 CA GLU A 53 2.284 -2.739 -9.091 1.00 0.00 C ATOM 834 C GLU A 53 2.963 -1.417 -8.747 1.00 0.00 C ATOM 835 O GLU A 53 2.380 -0.347 -8.876 1.00 0.00 O ATOM 836 CB GLU A 53 1.523 -3.281 -7.877 1.00 0.00 C ATOM 837 CG GLU A 53 0.022 -3.386 -8.097 1.00 0.00 C ATOM 838 CD GLU A 53 -0.358 -4.573 -8.961 1.00 0.00 C ATOM 839 OE1 GLU A 53 0.237 -5.655 -8.778 1.00 0.00 O ATOM 840 OE2 GLU A 53 -1.252 -4.419 -9.820 1.00 0.00 O ATOM 0 H GLU A 53 3.568 -4.375 -8.822 1.00 0.00 H new ATOM 0 HA GLU A 53 1.564 -2.581 -9.894 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.914 -4.266 -7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.712 -2.633 -7.021 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.478 -3.468 -7.132 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.338 -2.470 -8.565 1.00 0.00 H new ATOM 847 N LEU A 54 4.198 -1.532 -8.270 1.00 0.00 N ATOM 848 CA LEU A 54 4.949 -0.350 -7.867 1.00 0.00 C ATOM 849 C LEU A 54 4.857 0.672 -8.989 1.00 0.00 C ATOM 850 O LEU A 54 4.542 1.839 -8.762 1.00 0.00 O ATOM 851 CB LEU A 54 6.413 -0.688 -7.589 1.00 0.00 C ATOM 852 CG LEU A 54 7.139 0.347 -6.732 1.00 0.00 C ATOM 853 CD1 LEU A 54 7.328 -0.173 -5.319 1.00 0.00 C ATOM 854 CD2 LEU A 54 8.473 0.744 -7.357 1.00 0.00 C ATOM 0 H LEU A 54 4.693 -2.416 -8.154 1.00 0.00 H new ATOM 0 HA LEU A 54 4.526 0.049 -6.945 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.463 -1.656 -7.091 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.938 -0.791 -8.539 1.00 0.00 H new ATOM 0 HG LEU A 54 6.521 1.244 -6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.847 0.577 -4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.355 -0.381 -4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.918 -1.089 -5.344 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.966 1.482 -6.724 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.108 -0.137 -7.450 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.299 1.171 -8.345 1.00 0.00 H new ATOM 866 N GLN A 55 5.137 0.214 -10.200 1.00 0.00 N ATOM 867 CA GLN A 55 5.093 1.076 -11.376 1.00 0.00 C ATOM 868 C GLN A 55 3.657 1.307 -11.846 1.00 0.00 C ATOM 869 O GLN A 55 3.350 2.338 -12.444 1.00 0.00 O ATOM 870 CB GLN A 55 5.922 0.466 -12.508 1.00 0.00 C ATOM 871 CG GLN A 55 6.967 1.414 -13.075 1.00 0.00 C ATOM 872 CD GLN A 55 6.910 1.509 -14.587 1.00 0.00 C ATOM 873 OE1 GLN A 55 6.097 2.248 -15.144 1.00 0.00 O ATOM 874 NE2 GLN A 55 7.775 0.760 -15.261 1.00 0.00 N ATOM 0 H GLN A 55 5.398 -0.752 -10.396 1.00 0.00 H new ATOM 0 HA GLN A 55 5.516 2.041 -11.098 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.419 -0.432 -12.140 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.253 0.154 -13.310 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.823 2.406 -12.647 1.00 0.00 H new ATOM 0 HG3 GLN A 55 7.959 1.078 -12.773 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.431 0.162 -14.759 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.783 0.783 -16.281 1.00 0.00 H new ATOM 883 N GLU A 56 2.783 0.339 -11.586 1.00 0.00 N ATOM 884 CA GLU A 56 1.383 0.434 -11.995 1.00 0.00 C ATOM 885 C GLU A 56 0.590 1.359 -11.080 1.00 0.00 C ATOM 886 O GLU A 56 -0.412 1.941 -11.493 1.00 0.00 O ATOM 887 CB GLU A 56 0.741 -0.951 -11.985 1.00 0.00 C ATOM 888 CG GLU A 56 -0.311 -1.148 -13.066 1.00 0.00 C ATOM 889 CD GLU A 56 -1.514 -1.928 -12.573 1.00 0.00 C ATOM 890 OE1 GLU A 56 -1.784 -1.899 -11.353 1.00 0.00 O ATOM 891 OE2 GLU A 56 -2.188 -2.568 -13.407 1.00 0.00 O ATOM 0 H GLU A 56 3.019 -0.522 -11.093 1.00 0.00 H new ATOM 0 HA GLU A 56 1.364 0.849 -13.003 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.520 -1.703 -12.108 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.284 -1.122 -11.011 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.638 -0.175 -13.431 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.135 -1.672 -13.911 1.00 0.00 H new ATOM 898 N GLU A 57 1.027 1.471 -9.833 1.00 0.00 N ATOM 899 CA GLU A 57 0.342 2.305 -8.856 1.00 0.00 C ATOM 900 C GLU A 57 1.144 3.568 -8.534 1.00 0.00 C ATOM 901 O GLU A 57 0.756 4.357 -7.672 1.00 0.00 O ATOM 902 CB GLU A 57 0.081 1.510 -7.573 1.00 0.00 C ATOM 903 CG GLU A 57 -0.357 0.071 -7.819 1.00 0.00 C ATOM 904 CD GLU A 57 -1.821 -0.158 -7.499 1.00 0.00 C ATOM 905 OE1 GLU A 57 -2.292 0.365 -6.468 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.494 -0.863 -8.281 1.00 0.00 O ATOM 0 H GLU A 57 1.854 0.994 -9.474 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.609 2.613 -9.291 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.988 1.505 -6.969 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.687 2.019 -6.991 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.173 -0.187 -8.862 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.252 -0.599 -7.212 1.00 0.00 H new ATOM 913 N VAL A 58 2.252 3.763 -9.245 1.00 0.00 N ATOM 914 CA VAL A 58 3.095 4.935 -9.053 1.00 0.00 C ATOM 915 C VAL A 58 3.478 5.525 -10.401 1.00 0.00 C ATOM 916 O VAL A 58 3.429 6.738 -10.602 1.00 0.00 O ATOM 917 CB VAL A 58 4.371 4.599 -8.262 1.00 0.00 C ATOM 918 CG1 VAL A 58 5.150 5.866 -7.944 1.00 0.00 C ATOM 919 CG2 VAL A 58 4.027 3.842 -6.990 1.00 0.00 C ATOM 0 H VAL A 58 2.586 3.119 -9.962 1.00 0.00 H new ATOM 0 HA VAL A 58 2.521 5.661 -8.477 1.00 0.00 H new ATOM 0 HB VAL A 58 5.001 3.958 -8.878 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.049 5.609 -7.384 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.430 6.364 -8.872 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.530 6.534 -7.347 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.942 3.613 -6.444 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.376 4.455 -6.367 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.516 2.914 -7.246 1.00 0.00 H new ATOM 929 N GLY A 59 3.841 4.645 -11.329 1.00 0.00 N ATOM 930 CA GLY A 59 4.210 5.061 -12.669 1.00 0.00 C ATOM 931 C GLY A 59 5.526 5.798 -12.747 1.00 0.00 C ATOM 932 O GLY A 59 6.313 5.583 -13.668 1.00 0.00 O ATOM 0 H GLY A 59 3.886 3.638 -11.173 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.261 4.181 -13.310 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.423 5.701 -13.068 1.00 0.00 H new ATOM 936 N ILE A 60 5.760 6.670 -11.791 1.00 0.00 N ATOM 937 CA ILE A 60 6.988 7.451 -11.762 1.00 0.00 C ATOM 938 C ILE A 60 8.150 6.607 -11.248 1.00 0.00 C ATOM 939 O ILE A 60 7.973 5.439 -10.908 1.00 0.00 O ATOM 940 CB ILE A 60 6.836 8.735 -10.889 1.00 0.00 C ATOM 941 CG1 ILE A 60 7.814 9.839 -11.329 1.00 0.00 C ATOM 942 CG2 ILE A 60 7.026 8.428 -9.409 1.00 0.00 C ATOM 943 CD1 ILE A 60 8.214 9.777 -12.790 1.00 0.00 C ATOM 0 H ILE A 60 5.119 6.860 -11.021 1.00 0.00 H new ATOM 0 HA ILE A 60 7.197 7.762 -12.785 1.00 0.00 H new ATOM 0 HB ILE A 60 5.820 9.099 -11.038 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.360 10.810 -11.130 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.713 9.776 -10.716 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.914 9.345 -8.830 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.278 7.702 -9.089 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.023 8.017 -9.248 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.904 10.591 -13.013 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.700 8.823 -12.994 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.326 9.873 -13.415 1.00 0.00 H new ATOM 955 N THR A 61 9.330 7.211 -11.193 1.00 0.00 N ATOM 956 CA THR A 61 10.519 6.550 -10.714 1.00 0.00 C ATOM 957 C THR A 61 10.852 7.095 -9.337 1.00 0.00 C ATOM 958 O THR A 61 11.546 8.104 -9.213 1.00 0.00 O ATOM 959 CB THR A 61 11.653 6.839 -11.677 1.00 0.00 C ATOM 960 OG1 THR A 61 11.493 8.120 -12.262 1.00 0.00 O ATOM 961 CG2 THR A 61 11.751 5.835 -12.803 1.00 0.00 C ATOM 0 H THR A 61 9.481 8.177 -11.482 1.00 0.00 H new ATOM 0 HA THR A 61 10.366 5.473 -10.649 1.00 0.00 H new ATOM 0 HB THR A 61 12.563 6.783 -11.080 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.352 8.591 -12.258 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.583 6.100 -13.456 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.917 4.840 -12.390 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.824 5.840 -13.377 1.00 0.00 H new ATOM 969 N PRO A 62 10.300 6.486 -8.284 1.00 0.00 N ATOM 970 CA PRO A 62 10.466 6.952 -6.930 1.00 0.00 C ATOM 971 C PRO A 62 11.312 6.058 -6.048 1.00 0.00 C ATOM 972 O PRO A 62 11.334 4.839 -6.218 1.00 0.00 O ATOM 973 CB PRO A 62 9.019 6.863 -6.471 1.00 0.00 C ATOM 974 CG PRO A 62 8.544 5.570 -7.061 1.00 0.00 C ATOM 975 CD PRO A 62 9.379 5.340 -8.305 1.00 0.00 C ATOM 0 HA PRO A 62 10.970 7.917 -6.875 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.942 6.860 -5.384 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.431 7.708 -6.830 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.667 4.751 -6.353 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.484 5.621 -7.308 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.912 4.390 -8.267 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.768 5.326 -9.208 1.00 0.00 H new ATOM 983 N GLN A 63 11.941 6.663 -5.047 1.00 0.00 N ATOM 984 CA GLN A 63 12.699 5.894 -4.093 1.00 0.00 C ATOM 985 C GLN A 63 11.686 5.215 -3.201 1.00 0.00 C ATOM 986 O GLN A 63 11.377 5.673 -2.103 1.00 0.00 O ATOM 987 CB GLN A 63 13.610 6.803 -3.283 1.00 0.00 C ATOM 988 CG GLN A 63 14.937 7.054 -3.969 1.00 0.00 C ATOM 989 CD GLN A 63 15.969 7.689 -3.058 1.00 0.00 C ATOM 990 OE1 GLN A 63 15.533 8.629 -2.229 1.00 0.00 O flip ATOM 991 NE2 GLN A 63 17.149 7.337 -3.098 1.00 0.00 N flip ATOM 0 H GLN A 63 11.937 7.670 -4.884 1.00 0.00 H new ATOM 0 HA GLN A 63 13.339 5.163 -4.587 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.108 7.755 -3.111 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.789 6.355 -2.305 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.328 6.109 -4.347 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.776 7.701 -4.832 1.00 0.00 H new ATOM 0 HE21 GLN A 63 17.443 6.610 -3.751 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.832 7.772 -2.478 1.00 0.00 H new ATOM 1000 N HIS A 64 11.141 4.143 -3.728 1.00 0.00 N ATOM 1001 CA HIS A 64 10.105 3.386 -3.057 1.00 0.00 C ATOM 1002 C HIS A 64 10.505 1.932 -2.972 1.00 0.00 C ATOM 1003 O HIS A 64 10.873 1.319 -3.974 1.00 0.00 O ATOM 1004 CB HIS A 64 8.804 3.575 -3.848 1.00 0.00 C ATOM 1005 CG HIS A 64 7.667 2.651 -3.496 1.00 0.00 C ATOM 1006 ND1 HIS A 64 7.606 1.536 -2.723 1.00 0.00 N flip ATOM 1007 CD2 HIS A 64 6.388 2.844 -3.978 1.00 0.00 C flip ATOM 1008 CE1 HIS A 64 6.308 1.089 -2.757 1.00 0.00 C flip ATOM 1009 NE2 HIS A 64 5.594 1.894 -3.520 1.00 0.00 N flip ATOM 0 H HIS A 64 11.404 3.768 -4.639 1.00 0.00 H new ATOM 0 HA HIS A 64 9.958 3.737 -2.035 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.466 4.602 -3.709 1.00 0.00 H new ATOM 0 HB3 HIS A 64 9.028 3.454 -4.908 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.083 3.649 -4.630 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.932 0.218 -2.241 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.599 1.799 -3.722 1.00 0.00 H new ATOM 1018 N PHE A 65 10.442 1.382 -1.766 1.00 0.00 N ATOM 1019 CA PHE A 65 10.809 0.007 -1.543 1.00 0.00 C ATOM 1020 C PHE A 65 10.802 -0.310 -0.050 1.00 0.00 C ATOM 1021 O PHE A 65 10.311 0.472 0.756 1.00 0.00 O ATOM 1022 CB PHE A 65 12.202 -0.220 -2.099 1.00 0.00 C ATOM 1023 CG PHE A 65 12.363 -1.521 -2.831 1.00 0.00 C ATOM 1024 CD1 PHE A 65 11.413 -1.925 -3.756 1.00 0.00 C ATOM 1025 CD2 PHE A 65 13.459 -2.337 -2.603 1.00 0.00 C ATOM 1026 CE1 PHE A 65 11.552 -3.117 -4.440 1.00 0.00 C ATOM 1027 CE2 PHE A 65 13.603 -3.532 -3.284 1.00 0.00 C ATOM 1028 CZ PHE A 65 12.649 -3.922 -4.205 1.00 0.00 C ATOM 0 H PHE A 65 10.137 1.878 -0.929 1.00 0.00 H new ATOM 0 HA PHE A 65 10.091 -0.644 -2.041 1.00 0.00 H new ATOM 0 HB2 PHE A 65 12.450 0.598 -2.775 1.00 0.00 H new ATOM 0 HB3 PHE A 65 12.919 -0.185 -1.279 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.553 -1.300 -3.944 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.209 -2.037 -1.886 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.804 -3.419 -5.158 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.461 -4.161 -3.096 1.00 0.00 H new ATOM 0 HZ PHE A 65 12.761 -4.854 -4.739 1.00 0.00 H new ATOM 1038 N SER A 66 11.357 -1.458 0.302 1.00 0.00 N ATOM 1039 CA SER A 66 11.433 -1.889 1.693 1.00 0.00 C ATOM 1040 C SER A 66 10.058 -2.263 2.210 1.00 0.00 C ATOM 1041 O SER A 66 9.048 -1.885 1.626 1.00 0.00 O ATOM 1042 CB SER A 66 12.042 -0.789 2.566 1.00 0.00 C ATOM 1043 OG SER A 66 12.765 -1.342 3.651 1.00 0.00 O ATOM 0 H SER A 66 11.766 -2.116 -0.362 1.00 0.00 H new ATOM 0 HA SER A 66 12.076 -2.768 1.742 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.704 -0.167 1.964 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.251 -0.141 2.944 1.00 0.00 H new ATOM 0 HG SER A 66 13.146 -0.619 4.193 1.00 0.00 H new ATOM 1049 N LEU A 67 10.027 -3.009 3.306 1.00 0.00 N ATOM 1050 CA LEU A 67 8.770 -3.437 3.900 1.00 0.00 C ATOM 1051 C LEU A 67 8.654 -2.949 5.338 1.00 0.00 C ATOM 1052 O LEU A 67 9.437 -3.345 6.202 1.00 0.00 O ATOM 1053 CB LEU A 67 8.659 -4.965 3.853 1.00 0.00 C ATOM 1054 CG LEU A 67 7.484 -5.559 4.638 1.00 0.00 C ATOM 1055 CD1 LEU A 67 6.755 -6.605 3.807 1.00 0.00 C ATOM 1056 CD2 LEU A 67 7.970 -6.163 5.948 1.00 0.00 C ATOM 0 H LEU A 67 10.859 -3.330 3.801 1.00 0.00 H new ATOM 0 HA LEU A 67 7.954 -3.001 3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.573 -5.275 2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.585 -5.392 4.237 1.00 0.00 H new ATOM 0 HG LEU A 67 6.784 -4.755 4.866 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.925 -7.014 4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.373 -6.144 2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.445 -7.407 3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.123 -6.580 6.493 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.692 -6.953 5.739 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.444 -5.389 6.552 1.00 0.00 H new ATOM 1068 N PHE A 68 7.674 -2.087 5.595 1.00 0.00 N ATOM 1069 CA PHE A 68 7.469 -1.554 6.932 1.00 0.00 C ATOM 1070 C PHE A 68 6.817 -2.621 7.811 1.00 0.00 C ATOM 1071 O PHE A 68 7.176 -2.792 8.977 1.00 0.00 O ATOM 1072 CB PHE A 68 6.597 -0.285 6.865 1.00 0.00 C ATOM 1073 CG PHE A 68 5.423 -0.277 7.810 1.00 0.00 C ATOM 1074 CD1 PHE A 68 4.298 -1.040 7.543 1.00 0.00 C ATOM 1075 CD2 PHE A 68 5.447 0.492 8.962 1.00 0.00 C ATOM 1076 CE1 PHE A 68 3.219 -1.038 8.404 1.00 0.00 C ATOM 1077 CE2 PHE A 68 4.369 0.500 9.829 1.00 0.00 C ATOM 1078 CZ PHE A 68 3.254 -0.267 9.549 1.00 0.00 C ATOM 0 H PHE A 68 7.014 -1.746 4.896 1.00 0.00 H new ATOM 0 HA PHE A 68 8.429 -1.282 7.370 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.223 0.581 7.078 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.227 -0.168 5.846 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.265 -1.645 6.649 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.317 1.092 9.186 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.349 -1.638 8.182 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.399 1.105 10.723 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.411 -0.263 10.225 1.00 0.00 H new ATOM 1088 N GLU A 69 5.860 -3.332 7.228 1.00 0.00 N ATOM 1089 CA GLU A 69 5.146 -4.390 7.933 1.00 0.00 C ATOM 1090 C GLU A 69 4.261 -5.181 6.975 1.00 0.00 C ATOM 1091 O GLU A 69 3.934 -4.715 5.889 1.00 0.00 O ATOM 1092 CB GLU A 69 4.295 -3.797 9.058 1.00 0.00 C ATOM 1093 CG GLU A 69 4.245 -4.665 10.305 1.00 0.00 C ATOM 1094 CD GLU A 69 3.772 -3.903 11.527 1.00 0.00 C ATOM 1095 OE1 GLU A 69 4.463 -2.945 11.932 1.00 0.00 O ATOM 1096 OE2 GLU A 69 2.711 -4.264 12.079 1.00 0.00 O ATOM 0 H GLU A 69 5.559 -3.194 6.263 1.00 0.00 H new ATOM 0 HA GLU A 69 5.884 -5.068 8.362 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.691 -2.817 9.323 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.280 -3.643 8.692 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.580 -5.510 10.128 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.236 -5.075 10.498 1.00 0.00 H new ATOM 1103 N LYS A 70 3.880 -6.381 7.381 1.00 0.00 N ATOM 1104 CA LYS A 70 3.032 -7.234 6.558 1.00 0.00 C ATOM 1105 C LYS A 70 2.057 -8.000 7.447 1.00 0.00 C ATOM 1106 O LYS A 70 2.457 -8.555 8.470 1.00 0.00 O ATOM 1107 CB LYS A 70 3.882 -8.209 5.738 1.00 0.00 C ATOM 1108 CG LYS A 70 4.705 -9.166 6.584 1.00 0.00 C ATOM 1109 CD LYS A 70 5.898 -8.468 7.222 1.00 0.00 C ATOM 1110 CE LYS A 70 5.826 -8.512 8.741 1.00 0.00 C ATOM 1111 NZ LYS A 70 6.700 -9.576 9.308 1.00 0.00 N ATOM 0 H LYS A 70 4.144 -6.789 8.278 1.00 0.00 H new ATOM 0 HA LYS A 70 2.469 -6.608 5.866 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.228 -8.787 5.085 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.552 -7.639 5.094 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.076 -9.597 7.363 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.055 -9.991 5.964 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.820 -8.943 6.887 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.934 -7.431 6.889 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.122 -7.545 9.147 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.795 -8.685 9.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.622 -9.573 10.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.402 -10.502 8.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.687 -9.397 9.034 1.00 0.00 H new ATOM 1125 N LEU A 71 0.779 -8.028 7.075 1.00 0.00 N ATOM 1126 CA LEU A 71 -0.205 -8.731 7.879 1.00 0.00 C ATOM 1127 C LEU A 71 -0.496 -10.129 7.333 1.00 0.00 C ATOM 1128 O LEU A 71 -0.999 -10.296 6.222 1.00 0.00 O ATOM 1129 CB LEU A 71 -1.500 -7.917 7.951 1.00 0.00 C ATOM 1130 CG LEU A 71 -2.692 -8.644 8.577 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -2.787 -8.333 10.063 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -3.982 -8.267 7.863 1.00 0.00 C ATOM 0 H LEU A 71 0.410 -7.579 6.237 1.00 0.00 H new ATOM 0 HA LEU A 71 0.210 -8.848 8.880 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.308 -7.009 8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.773 -7.608 6.942 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.540 -9.717 8.463 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.641 -8.859 10.491 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.874 -8.657 10.562 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.915 -7.260 10.203 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.819 -8.793 8.322 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.142 -7.192 7.944 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.911 -8.545 6.812 1.00 0.00 H new ATOM 1144 N GLU A 72 -0.148 -11.119 8.143 1.00 0.00 N ATOM 1145 CA GLU A 72 -0.336 -12.506 7.775 1.00 0.00 C ATOM 1146 C GLU A 72 -1.345 -13.196 8.690 1.00 0.00 C ATOM 1147 O GLU A 72 -1.059 -13.483 9.853 1.00 0.00 O ATOM 1148 CB GLU A 72 1.007 -13.229 7.809 1.00 0.00 C ATOM 1149 CG GLU A 72 0.885 -14.715 7.578 1.00 0.00 C ATOM 1150 CD GLU A 72 2.212 -15.440 7.696 1.00 0.00 C ATOM 1151 OE1 GLU A 72 3.035 -15.037 8.544 1.00 0.00 O ATOM 1152 OE2 GLU A 72 2.428 -16.411 6.940 1.00 0.00 O ATOM 0 H GLU A 72 0.268 -10.981 9.064 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.740 -12.544 6.763 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.662 -12.802 7.050 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.482 -13.055 8.774 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.182 -15.133 8.299 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.467 -14.891 6.587 1.00 0.00 H new ATOM 1159 N TYR A 73 -2.523 -13.469 8.134 1.00 0.00 N ATOM 1160 CA TYR A 73 -3.594 -14.139 8.862 1.00 0.00 C ATOM 1161 C TYR A 73 -4.354 -15.094 7.942 1.00 0.00 C ATOM 1162 O TYR A 73 -4.864 -14.683 6.903 1.00 0.00 O ATOM 1163 CB TYR A 73 -4.556 -13.113 9.461 1.00 0.00 C ATOM 1164 CG TYR A 73 -5.233 -13.583 10.728 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -4.511 -14.220 11.729 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -6.596 -13.391 10.923 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -5.126 -14.653 12.889 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -7.218 -13.820 12.080 1.00 0.00 C ATOM 1169 CZ TYR A 73 -6.480 -14.450 13.059 1.00 0.00 C ATOM 1170 OH TYR A 73 -7.097 -14.880 14.212 1.00 0.00 O ATOM 0 H TYR A 73 -2.760 -13.233 7.170 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.147 -14.716 9.671 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.009 -12.194 9.671 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.318 -12.868 8.722 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.451 -14.380 11.599 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.178 -12.899 10.158 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -4.550 -15.147 13.657 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -8.278 -13.662 12.217 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.051 -14.659 14.174 1.00 0.00 H new ATOM 1180 N GLU A 74 -4.442 -16.361 8.328 1.00 0.00 N ATOM 1181 CA GLU A 74 -5.165 -17.341 7.519 1.00 0.00 C ATOM 1182 C GLU A 74 -6.293 -17.989 8.312 1.00 0.00 C ATOM 1183 O GLU A 74 -6.057 -18.791 9.216 1.00 0.00 O ATOM 1184 CB GLU A 74 -4.224 -18.412 6.966 1.00 0.00 C ATOM 1185 CG GLU A 74 -3.216 -18.929 7.978 1.00 0.00 C ATOM 1186 CD GLU A 74 -1.941 -19.431 7.328 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -1.212 -18.608 6.737 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -1.673 -20.648 7.410 1.00 0.00 O ATOM 0 H GLU A 74 -4.029 -16.733 9.183 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.602 -16.803 6.678 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.818 -19.249 6.600 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.687 -18.003 6.110 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.972 -18.133 8.681 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.667 -19.736 8.555 1.00 0.00 H new ATOM 1195 N PHE A 75 -7.519 -17.634 7.955 1.00 0.00 N ATOM 1196 CA PHE A 75 -8.702 -18.162 8.600 1.00 0.00 C ATOM 1197 C PHE A 75 -8.960 -19.601 8.155 1.00 0.00 C ATOM 1198 O PHE A 75 -8.414 -20.047 7.149 1.00 0.00 O ATOM 1199 CB PHE A 75 -9.896 -17.277 8.256 1.00 0.00 C ATOM 1200 CG PHE A 75 -10.043 -16.077 9.150 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -9.412 -14.884 8.833 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -10.813 -16.140 10.300 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -9.545 -13.777 9.649 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -10.949 -15.036 11.120 1.00 0.00 C ATOM 1205 CZ PHE A 75 -10.315 -13.852 10.794 1.00 0.00 C ATOM 0 H PHE A 75 -7.717 -16.969 7.207 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.552 -18.166 9.680 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.800 -16.939 7.224 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -10.806 -17.874 8.313 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.810 -14.819 7.939 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -11.312 -17.062 10.558 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -9.047 -12.854 9.392 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.550 -15.098 12.015 1.00 0.00 H new ATOM 0 HZ PHE A 75 -10.421 -12.987 11.433 1.00 0.00 H new ATOM 1215 N PRO A 76 -9.800 -20.342 8.900 1.00 0.00 N ATOM 1216 CA PRO A 76 -10.153 -21.731 8.597 1.00 0.00 C ATOM 1217 C PRO A 76 -10.377 -21.962 7.107 1.00 0.00 C ATOM 1218 O PRO A 76 -11.505 -21.899 6.621 1.00 0.00 O ATOM 1219 CB PRO A 76 -11.460 -21.953 9.381 1.00 0.00 C ATOM 1220 CG PRO A 76 -11.786 -20.634 10.007 1.00 0.00 C ATOM 1221 CD PRO A 76 -10.492 -19.885 10.093 1.00 0.00 C ATOM 0 HA PRO A 76 -9.356 -22.421 8.873 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.262 -22.281 8.720 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -11.335 -22.726 10.139 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.514 -20.087 9.408 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -12.225 -20.769 10.996 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.644 -18.806 10.089 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.941 -20.125 11.002 1.00 0.00 H new ATOM 1229 N ASP A 77 -9.275 -22.214 6.405 1.00 0.00 N ATOM 1230 CA ASP A 77 -9.268 -22.456 4.953 1.00 0.00 C ATOM 1231 C ASP A 77 -8.878 -21.187 4.202 1.00 0.00 C ATOM 1232 O ASP A 77 -8.304 -21.245 3.115 1.00 0.00 O ATOM 1233 CB ASP A 77 -10.620 -22.972 4.446 1.00 0.00 C ATOM 1234 CG ASP A 77 -11.118 -24.169 5.233 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -10.303 -25.072 5.519 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -12.320 -24.203 5.565 1.00 0.00 O ATOM 0 H ASP A 77 -8.348 -22.258 6.827 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.527 -23.232 4.761 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -11.356 -22.171 4.505 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.530 -23.245 3.395 1.00 0.00 H new ATOM 1241 N ARG A 78 -9.182 -20.044 4.802 1.00 0.00 N ATOM 1242 CA ARG A 78 -8.856 -18.752 4.216 1.00 0.00 C ATOM 1243 C ARG A 78 -7.375 -18.437 4.396 1.00 0.00 C ATOM 1244 O ARG A 78 -6.747 -18.882 5.356 1.00 0.00 O ATOM 1245 CB ARG A 78 -9.708 -17.643 4.826 1.00 0.00 C ATOM 1246 CG ARG A 78 -10.042 -16.536 3.837 1.00 0.00 C ATOM 1247 CD ARG A 78 -11.535 -16.258 3.791 1.00 0.00 C ATOM 1248 NE ARG A 78 -11.921 -15.189 4.709 1.00 0.00 N ATOM 1249 CZ ARG A 78 -11.525 -13.925 4.583 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -10.732 -13.567 3.580 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -11.922 -13.015 5.462 1.00 0.00 N ATOM 0 H ARG A 78 -9.658 -19.986 5.702 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.075 -18.805 3.150 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.634 -18.073 5.208 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.180 -17.214 5.678 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.510 -15.626 4.116 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.693 -16.818 2.843 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.822 -15.985 2.775 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.081 -17.167 4.043 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.530 -15.426 5.492 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.423 -14.263 2.901 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.432 -12.596 3.489 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.531 -13.284 6.235 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.618 -12.046 5.365 1.00 0.00 H new ATOM 1265 N HIS A 79 -6.836 -17.642 3.483 1.00 0.00 N ATOM 1266 CA HIS A 79 -5.444 -17.225 3.544 1.00 0.00 C ATOM 1267 C HIS A 79 -5.301 -15.814 2.983 1.00 0.00 C ATOM 1268 O HIS A 79 -5.422 -15.609 1.777 1.00 0.00 O ATOM 1269 CB HIS A 79 -4.554 -18.197 2.764 1.00 0.00 C ATOM 1270 CG HIS A 79 -4.107 -19.377 3.571 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -4.788 -20.466 4.002 1.00 0.00 N flip ATOM 1272 CD2 HIS A 79 -2.816 -19.529 4.030 1.00 0.00 C flip ATOM 1273 CE1 HIS A 79 -3.904 -21.246 4.705 1.00 0.00 C flip ATOM 1274 NE2 HIS A 79 -2.721 -20.661 4.707 1.00 0.00 N flip ATOM 0 H HIS A 79 -7.349 -17.270 2.683 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.124 -17.229 4.586 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.097 -18.551 1.888 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -3.677 -17.662 2.401 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -2.008 -18.832 3.863 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -4.139 -22.187 5.180 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -1.878 -21.020 5.154 1.00 0.00 H new ATOM 1283 N ILE A 80 -5.027 -14.839 3.843 1.00 0.00 N ATOM 1284 CA ILE A 80 -4.854 -13.475 3.397 1.00 0.00 C ATOM 1285 C ILE A 80 -3.453 -13.000 3.753 1.00 0.00 C ATOM 1286 O ILE A 80 -2.958 -13.271 4.847 1.00 0.00 O ATOM 1287 CB ILE A 80 -5.901 -12.533 4.025 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -5.667 -11.112 3.541 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -5.839 -12.591 5.541 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -6.923 -10.269 3.495 1.00 0.00 C ATOM 0 H ILE A 80 -4.922 -14.974 4.848 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.993 -13.452 2.316 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.894 -12.858 3.715 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.941 -10.630 4.195 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.226 -11.145 2.545 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.586 -11.918 5.962 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.038 -13.609 5.875 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.848 -12.287 5.876 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.677 -9.268 3.140 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.644 -10.727 2.818 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.354 -10.204 4.494 1.00 0.00 H new ATOM 1302 N THR A 81 -2.810 -12.304 2.829 1.00 0.00 N ATOM 1303 CA THR A 81 -1.464 -11.813 3.062 1.00 0.00 C ATOM 1304 C THR A 81 -1.332 -10.361 2.618 1.00 0.00 C ATOM 1305 O THR A 81 -1.507 -10.045 1.444 1.00 0.00 O ATOM 1306 CB THR A 81 -0.460 -12.691 2.314 1.00 0.00 C ATOM 1307 OG1 THR A 81 -1.126 -13.720 1.603 1.00 0.00 O ATOM 1308 CG2 THR A 81 0.556 -13.348 3.218 1.00 0.00 C ATOM 0 H THR A 81 -3.197 -12.068 1.915 1.00 0.00 H new ATOM 0 HA THR A 81 -1.255 -11.859 4.131 1.00 0.00 H new ATOM 0 HB THR A 81 0.063 -12.014 1.638 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.542 -14.505 1.540 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.236 -13.955 2.620 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.123 -12.581 3.746 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.043 -13.982 3.941 1.00 0.00 H new ATOM 1316 N LEU A 82 -1.020 -9.486 3.561 1.00 0.00 N ATOM 1317 CA LEU A 82 -0.864 -8.068 3.260 1.00 0.00 C ATOM 1318 C LEU A 82 0.566 -7.612 3.522 1.00 0.00 C ATOM 1319 O LEU A 82 1.026 -7.619 4.656 1.00 0.00 O ATOM 1320 CB LEU A 82 -1.839 -7.239 4.099 1.00 0.00 C ATOM 1321 CG LEU A 82 -3.169 -6.920 3.416 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -4.248 -6.644 4.449 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -3.011 -5.734 2.476 1.00 0.00 C ATOM 0 H LEU A 82 -0.870 -9.730 4.540 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.086 -7.918 2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.043 -7.774 5.026 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.354 -6.302 4.372 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.473 -7.787 2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.187 -6.419 3.943 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.378 -7.521 5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.954 -5.793 5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.966 -5.519 1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.685 -4.862 3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.268 -5.970 1.714 1.00 0.00 H new ATOM 1335 N TRP A 83 1.268 -7.219 2.468 1.00 0.00 N ATOM 1336 CA TRP A 83 2.647 -6.764 2.611 1.00 0.00 C ATOM 1337 C TRP A 83 2.741 -5.253 2.432 1.00 0.00 C ATOM 1338 O TRP A 83 2.361 -4.722 1.391 1.00 0.00 O ATOM 1339 CB TRP A 83 3.555 -7.456 1.586 1.00 0.00 C ATOM 1340 CG TRP A 83 3.190 -8.884 1.303 1.00 0.00 C ATOM 1341 CD1 TRP A 83 2.500 -9.739 2.115 1.00 0.00 C ATOM 1342 CD2 TRP A 83 3.501 -9.624 0.117 1.00 0.00 C ATOM 1343 NE1 TRP A 83 2.372 -10.964 1.510 1.00 0.00 N ATOM 1344 CE2 TRP A 83 2.974 -10.919 0.282 1.00 0.00 C ATOM 1345 CE3 TRP A 83 4.175 -9.318 -1.069 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 3.100 -11.903 -0.692 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 4.298 -10.298 -2.035 1.00 0.00 C ATOM 1348 CH2 TRP A 83 3.762 -11.577 -1.842 1.00 0.00 C ATOM 0 H TRP A 83 0.911 -7.205 1.513 1.00 0.00 H new ATOM 0 HA TRP A 83 2.979 -7.024 3.616 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.525 -6.894 0.653 1.00 0.00 H new ATOM 0 HB3 TRP A 83 4.583 -7.420 1.946 1.00 0.00 H new ATOM 0 HD1 TRP A 83 2.112 -9.487 3.091 1.00 0.00 H new ATOM 0 HE1 TRP A 83 1.904 -11.777 1.911 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.592 -8.334 -1.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 2.689 -12.891 -0.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 4.817 -10.074 -2.955 1.00 0.00 H new ATOM 0 HH2 TRP A 83 3.874 -12.320 -2.617 1.00 0.00 H new ATOM 1359 N PHE A 84 3.265 -4.563 3.443 1.00 0.00 N ATOM 1360 CA PHE A 84 3.418 -3.114 3.363 1.00 0.00 C ATOM 1361 C PHE A 84 4.864 -2.760 3.011 1.00 0.00 C ATOM 1362 O PHE A 84 5.795 -3.170 3.704 1.00 0.00 O ATOM 1363 CB PHE A 84 3.004 -2.427 4.677 1.00 0.00 C ATOM 1364 CG PHE A 84 1.511 -2.365 4.909 1.00 0.00 C ATOM 1365 CD1 PHE A 84 0.643 -3.175 4.190 1.00 0.00 C ATOM 1366 CD2 PHE A 84 0.974 -1.494 5.854 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -0.721 -3.120 4.404 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -0.390 -1.437 6.068 1.00 0.00 C ATOM 1369 CZ PHE A 84 -1.237 -2.251 5.344 1.00 0.00 C ATOM 0 H PHE A 84 3.587 -4.979 4.317 1.00 0.00 H new ATOM 0 HA PHE A 84 2.756 -2.749 2.578 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.467 -2.956 5.510 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.402 -1.412 4.683 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.039 -3.858 3.453 1.00 0.00 H new ATOM 0 HD2 PHE A 84 1.631 -0.856 6.426 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.383 -3.757 3.836 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.793 -0.755 6.802 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.303 -2.208 5.513 1.00 0.00 H new ATOM 1379 N TRP A 85 5.050 -1.999 1.932 1.00 0.00 N ATOM 1380 CA TRP A 85 6.387 -1.599 1.499 1.00 0.00 C ATOM 1381 C TRP A 85 6.686 -0.168 1.935 1.00 0.00 C ATOM 1382 O TRP A 85 5.965 0.758 1.563 1.00 0.00 O ATOM 1383 CB TRP A 85 6.513 -1.724 -0.021 1.00 0.00 C ATOM 1384 CG TRP A 85 6.396 -3.135 -0.506 1.00 0.00 C ATOM 1385 CD1 TRP A 85 5.242 -3.828 -0.735 1.00 0.00 C ATOM 1386 CD2 TRP A 85 7.471 -4.028 -0.817 1.00 0.00 C ATOM 1387 NE1 TRP A 85 5.535 -5.098 -1.170 1.00 0.00 N ATOM 1388 CE2 TRP A 85 6.897 -5.245 -1.229 1.00 0.00 C ATOM 1389 CE3 TRP A 85 8.864 -3.916 -0.789 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 7.667 -6.341 -1.610 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 9.628 -5.006 -1.166 1.00 0.00 C ATOM 1392 CH2 TRP A 85 9.028 -6.203 -1.572 1.00 0.00 C ATOM 0 H TRP A 85 4.294 -1.649 1.344 1.00 0.00 H new ATOM 0 HA TRP A 85 7.113 -2.263 1.968 1.00 0.00 H new ATOM 0 HB2 TRP A 85 5.740 -1.118 -0.495 1.00 0.00 H new ATOM 0 HB3 TRP A 85 7.474 -1.317 -0.335 1.00 0.00 H new ATOM 0 HD1 TRP A 85 4.246 -3.436 -0.595 1.00 0.00 H new ATOM 0 HE1 TRP A 85 4.850 -5.815 -1.410 1.00 0.00 H new ATOM 0 HE3 TRP A 85 9.335 -2.995 -0.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 7.207 -7.266 -1.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 10.705 -4.932 -1.147 1.00 0.00 H new ATOM 0 HH2 TRP A 85 9.652 -7.036 -1.861 1.00 0.00 H new ATOM 1403 N LEU A 86 7.712 0.012 2.772 1.00 0.00 N ATOM 1404 CA LEU A 86 8.004 1.351 3.275 1.00 0.00 C ATOM 1405 C LEU A 86 8.737 2.229 2.253 1.00 0.00 C ATOM 1406 O LEU A 86 9.957 2.169 2.108 1.00 0.00 O ATOM 1407 CB LEU A 86 8.840 1.248 4.552 1.00 0.00 C ATOM 1408 CG LEU A 86 8.913 2.527 5.390 1.00 0.00 C ATOM 1409 CD1 LEU A 86 9.778 3.571 4.701 1.00 0.00 C ATOM 1410 CD2 LEU A 86 7.517 3.077 5.648 1.00 0.00 C ATOM 0 H LEU A 86 8.333 -0.726 3.105 1.00 0.00 H new ATOM 0 HA LEU A 86 7.046 1.830 3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.431 0.450 5.171 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.853 0.953 4.281 1.00 0.00 H new ATOM 0 HG LEU A 86 9.370 2.282 6.349 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.817 4.472 5.313 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.786 3.178 4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.352 3.812 3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.589 3.986 6.245 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.034 3.304 4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.927 2.335 6.186 1.00 0.00 H new ATOM 1422 N VAL A 87 7.952 3.050 1.564 1.00 0.00 N ATOM 1423 CA VAL A 87 8.449 3.972 0.538 1.00 0.00 C ATOM 1424 C VAL A 87 9.169 5.149 1.144 1.00 0.00 C ATOM 1425 O VAL A 87 8.809 5.614 2.224 1.00 0.00 O ATOM 1426 CB VAL A 87 7.308 4.515 -0.311 1.00 0.00 C ATOM 1427 CG1 VAL A 87 7.831 5.289 -1.510 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.390 3.381 -0.735 1.00 0.00 C ATOM 0 H VAL A 87 6.942 3.098 1.700 1.00 0.00 H new ATOM 0 HA VAL A 87 9.140 3.396 -0.078 1.00 0.00 H new ATOM 0 HB VAL A 87 6.730 5.216 0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.991 5.663 -2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.436 6.128 -1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.441 4.632 -2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.577 3.779 -1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.955 2.654 -1.318 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.978 2.896 0.150 1.00 0.00 H new ATOM 1438 N GLU A 88 10.201 5.625 0.460 1.00 0.00 N ATOM 1439 CA GLU A 88 10.956 6.749 0.989 1.00 0.00 C ATOM 1440 C GLU A 88 10.872 8.030 0.142 1.00 0.00 C ATOM 1441 O GLU A 88 10.967 9.125 0.696 1.00 0.00 O ATOM 1442 CB GLU A 88 12.423 6.357 1.187 1.00 0.00 C ATOM 1443 CG GLU A 88 12.626 4.891 1.539 1.00 0.00 C ATOM 1444 CD GLU A 88 13.927 4.642 2.276 1.00 0.00 C ATOM 1445 OE1 GLU A 88 14.166 5.315 3.302 1.00 0.00 O ATOM 1446 OE2 GLU A 88 14.707 3.776 1.829 1.00 0.00 O ATOM 0 H GLU A 88 10.527 5.262 -0.436 1.00 0.00 H new ATOM 0 HA GLU A 88 10.489 6.988 1.944 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.975 6.582 0.275 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.850 6.973 1.978 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.793 4.551 2.155 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.611 4.297 0.625 1.00 0.00 H new ATOM 1453 N ARG A 89 10.726 7.927 -1.181 1.00 0.00 N ATOM 1454 CA ARG A 89 10.677 9.138 -2.007 1.00 0.00 C ATOM 1455 C ARG A 89 10.109 8.856 -3.395 1.00 0.00 C ATOM 1456 O ARG A 89 10.021 7.705 -3.812 1.00 0.00 O ATOM 1457 CB ARG A 89 12.086 9.762 -2.081 1.00 0.00 C ATOM 1458 CG ARG A 89 12.566 10.170 -3.474 1.00 0.00 C ATOM 1459 CD ARG A 89 12.363 11.657 -3.721 1.00 0.00 C ATOM 1460 NE ARG A 89 12.524 12.004 -5.131 1.00 0.00 N ATOM 1461 CZ ARG A 89 12.735 13.244 -5.569 1.00 0.00 C ATOM 1462 NH1 ARG A 89 12.802 14.256 -4.713 1.00 0.00 N ATOM 1463 NH2 ARG A 89 12.880 13.472 -6.868 1.00 0.00 N ATOM 0 H ARG A 89 10.642 7.048 -1.692 1.00 0.00 H new ATOM 0 HA ARG A 89 9.999 9.853 -1.542 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.106 10.643 -1.439 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.799 9.050 -1.667 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.622 9.923 -3.583 1.00 0.00 H new ATOM 0 HG3 ARG A 89 12.026 9.598 -4.228 1.00 0.00 H new ATOM 0 HD2 ARG A 89 11.367 11.947 -3.388 1.00 0.00 H new ATOM 0 HD3 ARG A 89 13.077 12.225 -3.124 1.00 0.00 H new ATOM 0 HE ARG A 89 12.472 11.253 -5.820 1.00 0.00 H new ATOM 0 HH11 ARG A 89 12.692 14.086 -3.713 1.00 0.00 H new ATOM 0 HH12 ARG A 89 12.964 15.203 -5.055 1.00 0.00 H new ATOM 0 HH21 ARG A 89 12.830 12.698 -7.530 1.00 0.00 H new ATOM 0 HH22 ARG A 89 13.042 14.421 -7.204 1.00 0.00 H new ATOM 1477 N TRP A 90 9.747 9.920 -4.117 1.00 0.00 N ATOM 1478 CA TRP A 90 9.221 9.773 -5.469 1.00 0.00 C ATOM 1479 C TRP A 90 9.626 10.943 -6.364 1.00 0.00 C ATOM 1480 O TRP A 90 9.704 12.085 -5.911 1.00 0.00 O ATOM 1481 CB TRP A 90 7.704 9.581 -5.448 1.00 0.00 C ATOM 1482 CG TRP A 90 6.911 10.830 -5.241 1.00 0.00 C ATOM 1483 CD1 TRP A 90 6.763 11.867 -6.116 1.00 0.00 C ATOM 1484 CD2 TRP A 90 6.124 11.153 -4.094 1.00 0.00 C ATOM 1485 NE1 TRP A 90 5.928 12.818 -5.579 1.00 0.00 N ATOM 1486 CE2 TRP A 90 5.518 12.399 -4.339 1.00 0.00 C ATOM 1487 CE3 TRP A 90 5.870 10.506 -2.883 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 4.668 13.009 -3.418 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 5.027 11.112 -1.971 1.00 0.00 C ATOM 1490 CH2 TRP A 90 4.431 12.349 -2.243 1.00 0.00 C ATOM 0 H TRP A 90 9.809 10.883 -3.788 1.00 0.00 H new ATOM 0 HA TRP A 90 9.665 8.875 -5.899 1.00 0.00 H new ATOM 0 HB2 TRP A 90 7.398 9.126 -6.390 1.00 0.00 H new ATOM 0 HB3 TRP A 90 7.453 8.874 -4.657 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.232 11.931 -7.087 1.00 0.00 H new ATOM 0 HE1 TRP A 90 5.658 13.692 -6.029 1.00 0.00 H new ATOM 0 HE3 TRP A 90 6.323 9.551 -2.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 4.213 13.967 -3.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 4.824 10.622 -1.030 1.00 0.00 H new ATOM 0 HH2 TRP A 90 3.771 12.791 -1.511 1.00 0.00 H new ATOM 1501 N GLU A 91 9.901 10.644 -7.639 1.00 0.00 N ATOM 1502 CA GLU A 91 10.321 11.669 -8.591 1.00 0.00 C ATOM 1503 C GLU A 91 9.131 12.451 -9.133 1.00 0.00 C ATOM 1504 O GLU A 91 8.049 11.898 -9.330 1.00 0.00 O ATOM 1505 CB GLU A 91 11.093 11.034 -9.748 1.00 0.00 C ATOM 1506 CG GLU A 91 12.585 10.909 -9.488 1.00 0.00 C ATOM 1507 CD GLU A 91 13.322 10.237 -10.630 1.00 0.00 C ATOM 1508 OE1 GLU A 91 12.770 10.196 -11.750 1.00 0.00 O ATOM 1509 OE2 GLU A 91 14.451 9.753 -10.406 1.00 0.00 O ATOM 0 H GLU A 91 9.840 9.704 -8.030 1.00 0.00 H new ATOM 0 HA GLU A 91 10.971 12.365 -8.060 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.683 10.044 -9.947 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.938 11.630 -10.647 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.006 11.901 -9.323 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.744 10.339 -8.573 1.00 0.00 H new ATOM 1516 N GLY A 92 9.345 13.743 -9.377 1.00 0.00 N ATOM 1517 CA GLY A 92 8.288 14.591 -9.901 1.00 0.00 C ATOM 1518 C GLY A 92 6.967 14.381 -9.194 1.00 0.00 C ATOM 1519 O GLY A 92 6.805 14.756 -8.033 1.00 0.00 O ATOM 0 H GLY A 92 10.234 14.218 -9.220 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.585 15.635 -9.805 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.162 14.392 -10.965 1.00 0.00 H new ATOM 1523 N GLU A 93 6.026 13.771 -9.898 1.00 0.00 N ATOM 1524 CA GLU A 93 4.711 13.498 -9.338 1.00 0.00 C ATOM 1525 C GLU A 93 4.348 12.024 -9.500 1.00 0.00 C ATOM 1526 O GLU A 93 4.570 11.437 -10.559 1.00 0.00 O ATOM 1527 CB GLU A 93 3.652 14.368 -10.011 1.00 0.00 C ATOM 1528 CG GLU A 93 2.260 14.162 -9.443 1.00 0.00 C ATOM 1529 CD GLU A 93 1.325 15.315 -9.750 1.00 0.00 C ATOM 1530 OE1 GLU A 93 1.700 16.473 -9.472 1.00 0.00 O ATOM 1531 OE2 GLU A 93 0.219 15.059 -10.269 1.00 0.00 O ATOM 0 H GLU A 93 6.149 13.455 -10.860 1.00 0.00 H new ATOM 0 HA GLU A 93 4.743 13.735 -8.275 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.930 15.416 -9.903 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.637 14.151 -11.079 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.840 13.241 -9.848 1.00 0.00 H new ATOM 0 HG3 GLU A 93 2.328 14.033 -8.363 1.00 0.00 H new ATOM 1538 N PRO A 94 3.766 11.404 -8.457 1.00 0.00 N ATOM 1539 CA PRO A 94 3.355 10.003 -8.498 1.00 0.00 C ATOM 1540 C PRO A 94 2.072 9.843 -9.293 1.00 0.00 C ATOM 1541 O PRO A 94 1.258 10.766 -9.342 1.00 0.00 O ATOM 1542 CB PRO A 94 3.116 9.641 -7.022 1.00 0.00 C ATOM 1543 CG PRO A 94 3.520 10.843 -6.232 1.00 0.00 C ATOM 1544 CD PRO A 94 3.430 12.012 -7.167 1.00 0.00 C ATOM 0 HA PRO A 94 4.098 9.365 -8.977 1.00 0.00 H new ATOM 0 HB2 PRO A 94 2.069 9.392 -6.846 1.00 0.00 H new ATOM 0 HB3 PRO A 94 3.704 8.769 -6.734 1.00 0.00 H new ATOM 0 HG2 PRO A 94 2.864 10.981 -5.372 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.533 10.732 -5.845 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.433 12.453 -7.172 1.00 0.00 H new ATOM 0 HD3 PRO A 94 4.128 12.804 -6.896 1.00 0.00 H new ATOM 1552 N TRP A 95 1.872 8.688 -9.913 1.00 0.00 N ATOM 1553 CA TRP A 95 0.657 8.485 -10.683 1.00 0.00 C ATOM 1554 C TRP A 95 0.267 7.021 -10.808 1.00 0.00 C ATOM 1555 O TRP A 95 -0.767 6.598 -10.292 1.00 0.00 O ATOM 1556 CB TRP A 95 0.789 9.101 -12.081 1.00 0.00 C ATOM 1557 CG TRP A 95 2.067 8.756 -12.804 1.00 0.00 C ATOM 1558 CD1 TRP A 95 3.261 9.405 -12.705 1.00 0.00 C ATOM 1559 CD2 TRP A 95 2.272 7.689 -13.744 1.00 0.00 C ATOM 1560 NE1 TRP A 95 4.193 8.822 -13.534 1.00 0.00 N ATOM 1561 CE2 TRP A 95 3.609 7.770 -14.183 1.00 0.00 C ATOM 1562 CE3 TRP A 95 1.457 6.675 -14.258 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 4.143 6.880 -15.113 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 1.991 5.792 -15.178 1.00 0.00 C ATOM 1565 CH2 TRP A 95 3.320 5.902 -15.600 1.00 0.00 C ATOM 0 H TRP A 95 2.517 7.898 -9.899 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.137 8.987 -10.130 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.055 8.775 -12.688 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.718 10.185 -11.994 1.00 0.00 H new ATOM 0 HD1 TRP A 95 3.450 10.256 -12.067 1.00 0.00 H new ATOM 0 HE1 TRP A 95 5.160 9.125 -13.646 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.428 6.583 -13.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 5.170 6.960 -15.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 1.371 5.003 -15.578 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.704 5.200 -16.325 1.00 0.00 H new ATOM 1576 N GLY A 96 1.090 6.258 -11.511 1.00 0.00 N ATOM 1577 CA GLY A 96 0.815 4.848 -11.723 1.00 0.00 C ATOM 1578 C GLY A 96 -0.638 4.577 -12.070 1.00 0.00 C ATOM 1579 O GLY A 96 -1.036 4.669 -13.232 1.00 0.00 O ATOM 0 H GLY A 96 1.952 6.592 -11.943 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.451 4.475 -12.526 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.079 4.292 -10.823 1.00 0.00 H new ATOM 1583 N LYS A 97 -1.428 4.239 -11.052 1.00 0.00 N ATOM 1584 CA LYS A 97 -2.850 3.945 -11.227 1.00 0.00 C ATOM 1585 C LYS A 97 -3.408 3.255 -9.983 1.00 0.00 C ATOM 1586 O LYS A 97 -4.161 2.286 -10.082 1.00 0.00 O ATOM 1587 CB LYS A 97 -3.074 3.063 -12.463 1.00 0.00 C ATOM 1588 CG LYS A 97 -3.800 3.776 -13.593 1.00 0.00 C ATOM 1589 CD LYS A 97 -5.168 3.164 -13.857 1.00 0.00 C ATOM 1590 CE LYS A 97 -5.163 2.305 -15.112 1.00 0.00 C ATOM 1591 NZ LYS A 97 -5.954 1.055 -14.935 1.00 0.00 N ATOM 0 H LYS A 97 -1.103 4.161 -10.088 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.377 4.888 -11.374 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.109 2.710 -12.827 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.647 2.182 -12.172 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.915 4.831 -13.343 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.198 3.727 -14.500 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.468 2.558 -13.002 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.908 3.957 -13.961 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.571 2.878 -15.945 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.136 2.050 -15.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.925 0.498 -15.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.550 0.496 -14.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.940 1.297 -14.711 1.00 0.00 H new ATOM 1605 N GLU A 98 -3.033 3.761 -8.811 1.00 0.00 N ATOM 1606 CA GLU A 98 -3.494 3.191 -7.549 1.00 0.00 C ATOM 1607 C GLU A 98 -5.019 3.151 -7.495 1.00 0.00 C ATOM 1608 O GLU A 98 -5.602 2.194 -6.989 1.00 0.00 O ATOM 1609 CB GLU A 98 -2.933 3.992 -6.371 1.00 0.00 C ATOM 1610 CG GLU A 98 -3.480 5.407 -6.279 1.00 0.00 C ATOM 1611 CD GLU A 98 -3.147 6.077 -4.961 1.00 0.00 C ATOM 1612 OE1 GLU A 98 -2.847 5.354 -3.987 1.00 0.00 O ATOM 1613 OE2 GLU A 98 -3.186 7.324 -4.902 1.00 0.00 O ATOM 0 H GLU A 98 -2.412 4.564 -8.709 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.128 2.166 -7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.158 3.464 -5.444 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.847 4.036 -6.457 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.076 6.003 -7.097 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.562 5.383 -6.407 1.00 0.00 H new ATOM 1620 N GLY A 99 -5.662 4.186 -8.034 1.00 0.00 N ATOM 1621 CA GLY A 99 -7.114 4.219 -8.045 1.00 0.00 C ATOM 1622 C GLY A 99 -7.702 5.547 -7.595 1.00 0.00 C ATOM 1623 O GLY A 99 -8.472 6.166 -8.329 1.00 0.00 O ATOM 0 H GLY A 99 -5.208 4.994 -8.459 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.465 4.000 -9.053 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.491 3.427 -7.397 1.00 0.00 H new ATOM 1627 N GLN A 100 -7.368 5.973 -6.380 1.00 0.00 N ATOM 1628 CA GLN A 100 -7.903 7.221 -5.837 1.00 0.00 C ATOM 1629 C GLN A 100 -6.817 8.267 -5.605 1.00 0.00 C ATOM 1630 O GLN A 100 -6.070 8.201 -4.631 1.00 0.00 O ATOM 1631 CB GLN A 100 -8.654 6.951 -4.528 1.00 0.00 C ATOM 1632 CG GLN A 100 -8.220 5.678 -3.816 1.00 0.00 C ATOM 1633 CD GLN A 100 -8.806 4.429 -4.446 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -9.598 4.506 -5.385 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -8.419 3.269 -3.928 1.00 0.00 N ATOM 0 H GLN A 100 -6.733 5.477 -5.755 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.591 7.624 -6.580 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -8.509 7.798 -3.857 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -9.722 6.891 -4.739 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.132 5.611 -3.830 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -8.523 5.730 -2.770 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.760 3.253 -3.149 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.781 2.395 -4.309 1.00 0.00 H new ATOM 1644 N PRO A 101 -6.735 9.268 -6.499 1.00 0.00 N ATOM 1645 CA PRO A 101 -5.757 10.355 -6.392 1.00 0.00 C ATOM 1646 C PRO A 101 -5.636 10.904 -4.970 1.00 0.00 C ATOM 1647 O PRO A 101 -6.639 11.096 -4.283 1.00 0.00 O ATOM 1648 CB PRO A 101 -6.352 11.411 -7.316 1.00 0.00 C ATOM 1649 CG PRO A 101 -7.023 10.625 -8.382 1.00 0.00 C ATOM 1650 CD PRO A 101 -7.606 9.429 -7.684 1.00 0.00 C ATOM 0 HA PRO A 101 -4.748 10.035 -6.651 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.059 12.050 -6.787 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.580 12.062 -7.727 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.800 11.211 -8.873 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -6.315 10.324 -9.154 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.645 9.596 -7.400 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.588 8.544 -8.320 1.00 0.00 H new ATOM 1658 N GLY A 102 -4.403 11.148 -4.534 1.00 0.00 N ATOM 1659 CA GLY A 102 -4.175 11.668 -3.194 1.00 0.00 C ATOM 1660 C GLY A 102 -3.174 12.811 -3.163 1.00 0.00 C ATOM 1661 O GLY A 102 -2.607 13.178 -4.192 1.00 0.00 O ATOM 0 H GLY A 102 -3.557 10.995 -5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.122 12.010 -2.777 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.818 10.862 -2.553 1.00 0.00 H new ATOM 1665 N GLU A 103 -2.958 13.372 -1.974 1.00 0.00 N ATOM 1666 CA GLU A 103 -2.019 14.479 -1.800 1.00 0.00 C ATOM 1667 C GLU A 103 -0.991 14.157 -0.714 1.00 0.00 C ATOM 1668 O GLU A 103 -1.234 13.317 0.151 1.00 0.00 O ATOM 1669 CB GLU A 103 -2.775 15.763 -1.445 1.00 0.00 C ATOM 1670 CG GLU A 103 -2.517 16.906 -2.413 1.00 0.00 C ATOM 1671 CD GLU A 103 -3.286 18.162 -2.049 1.00 0.00 C ATOM 1672 OE1 GLU A 103 -3.065 18.692 -0.941 1.00 0.00 O ATOM 1673 OE2 GLU A 103 -4.107 18.614 -2.875 1.00 0.00 O ATOM 0 H GLU A 103 -3.422 13.077 -1.115 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.489 14.627 -2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.844 15.551 -1.422 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.491 16.077 -0.441 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.450 17.129 -2.430 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.793 16.594 -3.420 1.00 0.00 H new ATOM 1680 N TRP A 104 0.160 14.829 -0.767 1.00 0.00 N ATOM 1681 CA TRP A 104 1.223 14.604 0.219 1.00 0.00 C ATOM 1682 C TRP A 104 0.711 14.906 1.629 1.00 0.00 C ATOM 1683 O TRP A 104 0.524 16.067 1.992 1.00 0.00 O ATOM 1684 CB TRP A 104 2.464 15.478 -0.082 1.00 0.00 C ATOM 1685 CG TRP A 104 2.456 16.117 -1.439 1.00 0.00 C ATOM 1686 CD1 TRP A 104 2.477 15.481 -2.646 1.00 0.00 C ATOM 1687 CD2 TRP A 104 2.423 17.520 -1.725 1.00 0.00 C ATOM 1688 NE1 TRP A 104 2.461 16.401 -3.665 1.00 0.00 N ATOM 1689 CE2 TRP A 104 2.427 17.661 -3.126 1.00 0.00 C ATOM 1690 CE3 TRP A 104 2.390 18.671 -0.933 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 2.400 18.907 -3.749 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 2.362 19.907 -1.553 1.00 0.00 C ATOM 1693 CH2 TRP A 104 2.367 20.016 -2.948 1.00 0.00 C ATOM 0 H TRP A 104 0.381 15.529 -1.476 1.00 0.00 H new ATOM 0 HA TRP A 104 1.517 13.556 0.156 1.00 0.00 H new ATOM 0 HB2 TRP A 104 2.535 16.260 0.674 1.00 0.00 H new ATOM 0 HB3 TRP A 104 3.359 14.862 0.011 1.00 0.00 H new ATOM 0 HD1 TRP A 104 2.502 14.410 -2.780 1.00 0.00 H new ATOM 0 HE1 TRP A 104 2.473 16.182 -4.661 1.00 0.00 H new ATOM 0 HE3 TRP A 104 2.386 18.597 0.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 2.405 18.994 -4.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 2.336 20.803 -0.950 1.00 0.00 H new ATOM 0 HH2 TRP A 104 2.344 20.996 -3.402 1.00 0.00 H new ATOM 1704 N MET A 105 0.486 13.856 2.420 1.00 0.00 N ATOM 1705 CA MET A 105 -0.004 14.025 3.788 1.00 0.00 C ATOM 1706 C MET A 105 0.966 13.440 4.810 1.00 0.00 C ATOM 1707 O MET A 105 1.614 12.426 4.560 1.00 0.00 O ATOM 1708 CB MET A 105 -1.397 13.401 3.946 1.00 0.00 C ATOM 1709 CG MET A 105 -1.385 11.900 4.185 1.00 0.00 C ATOM 1710 SD MET A 105 -1.262 11.479 5.933 1.00 0.00 S ATOM 1711 CE MET A 105 -2.918 11.867 6.493 1.00 0.00 C ATOM 0 H MET A 105 0.634 12.887 2.140 1.00 0.00 H new ATOM 0 HA MET A 105 -0.078 15.095 3.980 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.907 13.886 4.778 1.00 0.00 H new ATOM 0 HB3 MET A 105 -1.980 13.610 3.049 1.00 0.00 H new ATOM 0 HG2 MET A 105 -2.294 11.463 3.773 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.546 11.457 3.648 1.00 0.00 H new ATOM 0 HE1 MET A 105 -3.104 11.375 7.448 1.00 0.00 H new ATOM 0 HE2 MET A 105 -3.018 12.946 6.615 1.00 0.00 H new ATOM 0 HE3 MET A 105 -3.642 11.516 5.758 1.00 0.00 H new ATOM 1721 N SER A 106 1.060 14.096 5.965 1.00 0.00 N ATOM 1722 CA SER A 106 1.953 13.654 7.032 1.00 0.00 C ATOM 1723 C SER A 106 1.480 12.337 7.640 1.00 0.00 C ATOM 1724 O SER A 106 0.388 12.256 8.204 1.00 0.00 O ATOM 1725 CB SER A 106 2.046 14.724 8.120 1.00 0.00 C ATOM 1726 OG SER A 106 3.137 14.473 8.991 1.00 0.00 O ATOM 0 H SER A 106 0.527 14.937 6.185 1.00 0.00 H new ATOM 0 HA SER A 106 2.940 13.494 6.597 1.00 0.00 H new ATOM 0 HB2 SER A 106 2.162 15.705 7.660 1.00 0.00 H new ATOM 0 HB3 SER A 106 1.118 14.747 8.692 1.00 0.00 H new ATOM 0 HG SER A 106 3.275 15.248 9.575 1.00 0.00 H new ATOM 1732 N LEU A 107 2.314 11.309 7.522 1.00 0.00 N ATOM 1733 CA LEU A 107 1.989 9.986 8.060 1.00 0.00 C ATOM 1734 C LEU A 107 1.989 9.982 9.589 1.00 0.00 C ATOM 1735 O LEU A 107 1.445 9.073 10.217 1.00 0.00 O ATOM 1736 CB LEU A 107 2.980 8.939 7.545 1.00 0.00 C ATOM 1737 CG LEU A 107 2.482 7.487 7.562 1.00 0.00 C ATOM 1738 CD1 LEU A 107 2.563 6.913 8.968 1.00 0.00 C ATOM 1739 CD2 LEU A 107 1.055 7.387 7.031 1.00 0.00 C ATOM 0 H LEU A 107 3.221 11.363 7.059 1.00 0.00 H new ATOM 0 HA LEU A 107 0.985 9.736 7.718 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.255 9.198 6.522 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.888 8.999 8.144 1.00 0.00 H new ATOM 0 HG LEU A 107 3.129 6.904 6.906 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.206 5.883 8.962 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.597 6.937 9.312 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.944 7.507 9.640 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.730 6.347 7.055 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.392 7.989 7.653 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.022 7.754 6.005 1.00 0.00 H new ATOM 1751 N VAL A 108 2.617 10.993 10.182 1.00 0.00 N ATOM 1752 CA VAL A 108 2.710 11.108 11.637 1.00 0.00 C ATOM 1753 C VAL A 108 1.360 10.910 12.325 1.00 0.00 C ATOM 1754 O VAL A 108 1.305 10.613 13.518 1.00 0.00 O ATOM 1755 CB VAL A 108 3.287 12.477 12.048 1.00 0.00 C ATOM 1756 CG1 VAL A 108 2.369 13.604 11.599 1.00 0.00 C ATOM 1757 CG2 VAL A 108 3.516 12.532 13.551 1.00 0.00 C ATOM 0 H VAL A 108 3.073 11.751 9.674 1.00 0.00 H new ATOM 0 HA VAL A 108 3.380 10.312 11.962 1.00 0.00 H new ATOM 0 HB VAL A 108 4.249 12.606 11.552 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.795 14.561 11.899 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.264 13.577 10.514 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.390 13.482 12.061 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.924 13.506 13.822 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.569 12.378 14.069 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.219 11.751 13.841 1.00 0.00 H new ATOM 1767 N GLY A 109 0.275 11.077 11.577 1.00 0.00 N ATOM 1768 CA GLY A 109 -1.047 10.910 12.156 1.00 0.00 C ATOM 1769 C GLY A 109 -2.034 10.284 11.192 1.00 0.00 C ATOM 1770 O GLY A 109 -3.098 10.845 10.927 1.00 0.00 O ATOM 0 H GLY A 109 0.285 11.323 10.587 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -0.972 10.288 13.048 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.424 11.881 12.476 1.00 0.00 H new ATOM 1774 N LEU A 110 -1.680 9.117 10.673 1.00 0.00 N ATOM 1775 CA LEU A 110 -2.537 8.398 9.734 1.00 0.00 C ATOM 1776 C LEU A 110 -3.861 8.017 10.389 1.00 0.00 C ATOM 1777 O LEU A 110 -3.928 7.813 11.601 1.00 0.00 O ATOM 1778 CB LEU A 110 -1.834 7.137 9.237 1.00 0.00 C ATOM 1779 CG LEU A 110 -2.613 6.335 8.195 1.00 0.00 C ATOM 1780 CD1 LEU A 110 -1.659 5.678 7.210 1.00 0.00 C ATOM 1781 CD2 LEU A 110 -3.485 5.290 8.872 1.00 0.00 C ATOM 0 H LEU A 110 -0.802 8.644 10.886 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.740 9.057 8.890 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.871 7.419 8.812 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.629 6.492 10.091 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.260 7.018 7.645 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.229 5.111 6.474 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.074 6.445 6.703 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.988 5.006 7.746 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.033 4.728 8.116 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -2.857 4.609 9.446 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.191 5.783 9.540 1.00 0.00 H new ATOM 1793 N ASN A 111 -4.917 7.931 9.582 1.00 0.00 N ATOM 1794 CA ASN A 111 -6.237 7.584 10.095 1.00 0.00 C ATOM 1795 C ASN A 111 -6.764 6.286 9.490 1.00 0.00 C ATOM 1796 O ASN A 111 -7.061 6.219 8.297 1.00 0.00 O ATOM 1797 CB ASN A 111 -7.220 8.727 9.828 1.00 0.00 C ATOM 1798 CG ASN A 111 -7.738 9.356 11.106 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -8.054 8.524 12.092 1.00 0.00 O flip ATOM 1800 ND2 ASN A 111 -7.854 10.578 11.206 1.00 0.00 N flip ATOM 0 H ASN A 111 -4.883 8.096 8.576 1.00 0.00 H new ATOM 0 HA ASN A 111 -6.141 7.428 11.170 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -6.730 9.490 9.224 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -8.061 8.351 9.245 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -7.599 11.180 10.423 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -8.205 10.988 12.072 1.00 0.00 H new ATOM 1807 N ALA A 112 -6.894 5.264 10.333 1.00 0.00 N ATOM 1808 CA ALA A 112 -7.408 3.971 9.894 1.00 0.00 C ATOM 1809 C ALA A 112 -8.910 4.051 9.619 1.00 0.00 C ATOM 1810 O ALA A 112 -9.482 3.169 8.983 1.00 0.00 O ATOM 1811 CB ALA A 112 -7.121 2.895 10.933 1.00 0.00 C ATOM 0 H ALA A 112 -6.651 5.307 11.323 1.00 0.00 H new ATOM 0 HA ALA A 112 -6.899 3.703 8.968 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.513 1.939 10.585 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -6.045 2.813 11.084 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -7.600 3.162 11.875 1.00 0.00 H new ATOM 1817 N ASP A 113 -9.548 5.112 10.108 1.00 0.00 N ATOM 1818 CA ASP A 113 -10.980 5.298 9.907 1.00 0.00 C ATOM 1819 C ASP A 113 -11.256 5.815 8.498 1.00 0.00 C ATOM 1820 O ASP A 113 -12.259 5.461 7.881 1.00 0.00 O ATOM 1821 CB ASP A 113 -11.577 6.261 10.946 1.00 0.00 C ATOM 1822 CG ASP A 113 -10.536 7.000 11.769 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -9.672 6.330 12.373 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -10.591 8.247 11.812 1.00 0.00 O ATOM 0 H ASP A 113 -9.096 5.853 10.644 1.00 0.00 H new ATOM 0 HA ASP A 113 -11.459 4.327 10.034 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.205 6.990 10.433 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.225 5.699 11.618 1.00 0.00 H new ATOM 1829 N ASP A 114 -10.353 6.653 7.996 1.00 0.00 N ATOM 1830 CA ASP A 114 -10.494 7.216 6.658 1.00 0.00 C ATOM 1831 C ASP A 114 -9.988 6.244 5.596 1.00 0.00 C ATOM 1832 O ASP A 114 -10.322 6.370 4.418 1.00 0.00 O ATOM 1833 CB ASP A 114 -9.740 8.540 6.552 1.00 0.00 C ATOM 1834 CG ASP A 114 -10.670 9.727 6.394 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -11.652 9.818 7.160 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -10.416 10.566 5.504 1.00 0.00 O ATOM 0 H ASP A 114 -9.517 6.956 8.496 1.00 0.00 H new ATOM 0 HA ASP A 114 -11.555 7.396 6.483 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -9.128 8.678 7.443 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -9.060 8.500 5.701 1.00 0.00 H new ATOM 1841 N PHE A 115 -9.174 5.277 6.014 1.00 0.00 N ATOM 1842 CA PHE A 115 -8.626 4.298 5.088 1.00 0.00 C ATOM 1843 C PHE A 115 -9.444 3.005 5.116 1.00 0.00 C ATOM 1844 O PHE A 115 -10.222 2.777 6.042 1.00 0.00 O ATOM 1845 CB PHE A 115 -7.129 4.074 5.389 1.00 0.00 C ATOM 1846 CG PHE A 115 -6.760 2.808 6.117 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -7.557 2.294 7.122 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -5.583 2.148 5.800 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -7.192 1.145 7.794 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -5.211 1.004 6.470 1.00 0.00 C ATOM 1851 CZ PHE A 115 -6.014 0.502 7.467 1.00 0.00 C ATOM 0 H PHE A 115 -8.883 5.153 6.984 1.00 0.00 H new ATOM 0 HA PHE A 115 -8.696 4.678 4.069 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -6.587 4.091 4.443 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -6.771 4.919 5.977 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -8.476 2.797 7.385 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -4.949 2.536 5.017 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -7.826 0.750 8.574 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.290 0.502 6.213 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.724 -0.395 7.994 1.00 0.00 H new ATOM 1861 N PRO A 116 -9.299 2.151 4.089 1.00 0.00 N ATOM 1862 CA PRO A 116 -10.048 0.894 3.996 1.00 0.00 C ATOM 1863 C PRO A 116 -9.882 0.016 5.233 1.00 0.00 C ATOM 1864 O PRO A 116 -8.761 -0.272 5.652 1.00 0.00 O ATOM 1865 CB PRO A 116 -9.455 0.199 2.760 1.00 0.00 C ATOM 1866 CG PRO A 116 -8.197 0.940 2.451 1.00 0.00 C ATOM 1867 CD PRO A 116 -8.416 2.344 2.932 1.00 0.00 C ATOM 0 HA PRO A 116 -11.120 1.076 3.921 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -9.252 -0.853 2.961 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -10.148 0.235 1.919 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -7.343 0.485 2.952 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -7.986 0.922 1.382 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -7.480 2.827 3.212 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -8.880 2.967 2.167 1.00 0.00 H new ATOM 1875 N PRO A 117 -11.003 -0.431 5.833 1.00 0.00 N ATOM 1876 CA PRO A 117 -10.969 -1.287 7.023 1.00 0.00 C ATOM 1877 C PRO A 117 -10.365 -2.655 6.725 1.00 0.00 C ATOM 1878 O PRO A 117 -9.934 -3.366 7.632 1.00 0.00 O ATOM 1879 CB PRO A 117 -12.444 -1.427 7.412 1.00 0.00 C ATOM 1880 CG PRO A 117 -13.199 -1.154 6.157 1.00 0.00 C ATOM 1881 CD PRO A 117 -12.382 -0.147 5.398 1.00 0.00 C ATOM 0 HA PRO A 117 -10.350 -0.862 7.813 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.659 -2.425 7.793 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -12.714 -0.721 8.197 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -13.334 -2.066 5.576 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -14.194 -0.765 6.376 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -12.496 -0.266 4.321 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -12.677 0.874 5.639 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.333 -3.016 5.446 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.773 -4.295 5.031 1.00 0.00 C ATOM 1891 C ALA A 118 -8.293 -4.376 5.371 1.00 0.00 C ATOM 1892 O ALA A 118 -7.727 -5.464 5.475 1.00 0.00 O ATOM 1893 CB ALA A 118 -9.991 -4.511 3.541 1.00 0.00 C ATOM 0 H ALA A 118 -10.688 -2.442 4.681 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.289 -5.085 5.576 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -9.567 -5.471 3.247 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.059 -4.505 3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.503 -3.712 2.982 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.670 -3.218 5.541 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.256 -3.147 5.866 1.00 0.00 C ATOM 1901 C ASN A 119 -6.043 -2.620 7.286 1.00 0.00 C ATOM 1902 O ASN A 119 -4.909 -2.392 7.708 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.557 -2.240 4.860 1.00 0.00 C ATOM 1904 CG ASN A 119 -4.640 -3.005 3.927 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -4.925 -4.142 3.555 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -3.533 -2.381 3.542 1.00 0.00 N ATOM 0 H ASN A 119 -8.127 -2.310 5.458 1.00 0.00 H new ATOM 0 HA ASN A 119 -5.833 -4.150 5.816 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -6.306 -1.709 4.273 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -4.979 -1.487 5.395 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -2.879 -2.845 2.912 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -3.337 -1.437 3.876 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.141 -2.426 8.017 1.00 0.00 N ATOM 1914 CA GLU A 120 -7.076 -1.922 9.386 1.00 0.00 C ATOM 1915 C GLU A 120 -6.201 -2.800 10.278 1.00 0.00 C ATOM 1916 O GLU A 120 -5.459 -2.290 11.100 1.00 0.00 O ATOM 1917 CB GLU A 120 -8.481 -1.806 9.982 1.00 0.00 C ATOM 1918 CG GLU A 120 -8.785 -0.432 10.556 1.00 0.00 C ATOM 1919 CD GLU A 120 -9.679 -0.497 11.779 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -10.361 -1.526 11.961 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -9.696 0.482 12.555 1.00 0.00 O ATOM 0 H GLU A 120 -8.086 -2.611 7.682 1.00 0.00 H new ATOM 0 HA GLU A 120 -6.620 -0.933 9.344 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.215 -2.039 9.210 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.597 -2.553 10.768 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -7.850 0.063 10.819 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -9.265 0.179 9.792 1.00 0.00 H new ATOM 1928 N PRO A 121 -6.280 -4.132 10.152 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.489 -5.046 10.985 1.00 0.00 C ATOM 1930 C PRO A 121 -4.020 -4.641 11.147 1.00 0.00 C ATOM 1931 O PRO A 121 -3.451 -4.784 12.229 1.00 0.00 O ATOM 1932 CB PRO A 121 -5.579 -6.356 10.214 1.00 0.00 C ATOM 1933 CG PRO A 121 -6.921 -6.311 9.571 1.00 0.00 C ATOM 1934 CD PRO A 121 -7.156 -4.868 9.214 1.00 0.00 C ATOM 0 HA PRO A 121 -5.869 -5.074 12.006 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -4.785 -6.437 9.472 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -5.484 -7.216 10.877 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -6.951 -6.943 8.684 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.692 -6.677 10.249 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.894 -4.664 8.176 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -8.202 -4.589 9.339 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.403 -4.150 10.075 1.00 0.00 N ATOM 1943 CA VAL A 122 -1.995 -3.747 10.121 1.00 0.00 C ATOM 1944 C VAL A 122 -1.813 -2.379 10.770 1.00 0.00 C ATOM 1945 O VAL A 122 -1.030 -2.219 11.706 1.00 0.00 O ATOM 1946 CB VAL A 122 -1.377 -3.700 8.708 1.00 0.00 C ATOM 1947 CG1 VAL A 122 0.119 -3.964 8.771 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -2.061 -4.687 7.771 1.00 0.00 C ATOM 0 H VAL A 122 -3.851 -4.021 9.168 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.486 -4.500 10.723 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.535 -2.699 8.306 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.538 -3.927 7.765 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.597 -3.205 9.391 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.297 -4.949 9.202 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.602 -4.629 6.784 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -1.951 -5.698 8.164 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -3.120 -4.441 7.694 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.539 -1.394 10.254 1.00 0.00 N ATOM 1959 CA ILE A 123 -2.483 -0.022 10.746 1.00 0.00 C ATOM 1960 C ILE A 123 -3.136 0.106 12.118 1.00 0.00 C ATOM 1961 O ILE A 123 -2.797 0.977 12.901 1.00 0.00 O ATOM 1962 CB ILE A 123 -3.170 0.935 9.750 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -2.341 1.036 8.462 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -3.380 2.306 10.370 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -1.686 2.387 8.258 1.00 0.00 C ATOM 0 H ILE A 123 -3.187 -1.525 9.478 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.432 0.250 10.842 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.152 0.532 9.501 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.568 0.267 8.478 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -2.985 0.823 7.609 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.866 2.962 9.647 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.009 2.212 11.255 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.416 2.729 10.653 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.119 2.379 7.327 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.453 3.160 8.209 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.014 2.595 9.091 1.00 0.00 H new ATOM 1977 N ALA A 124 -4.071 -0.783 12.384 1.00 0.00 N ATOM 1978 CA ALA A 124 -4.782 -0.786 13.656 1.00 0.00 C ATOM 1979 C ALA A 124 -3.772 -0.816 14.799 1.00 0.00 C ATOM 1980 O ALA A 124 -3.875 -0.055 15.760 1.00 0.00 O ATOM 1981 CB ALA A 124 -5.726 -1.977 13.745 1.00 0.00 C ATOM 0 H ALA A 124 -4.360 -1.517 11.737 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.383 0.121 13.730 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -6.246 -1.958 14.703 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -6.454 -1.925 12.936 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.155 -2.901 13.660 1.00 0.00 H new ATOM 1987 N LYS A 125 -2.815 -1.727 14.689 1.00 0.00 N ATOM 1988 CA LYS A 125 -1.797 -1.898 15.717 1.00 0.00 C ATOM 1989 C LYS A 125 -1.073 -0.588 16.009 1.00 0.00 C ATOM 1990 O LYS A 125 -0.960 -0.179 17.164 1.00 0.00 O ATOM 1991 CB LYS A 125 -0.788 -2.966 15.289 1.00 0.00 C ATOM 1992 CG LYS A 125 -1.131 -4.361 15.785 1.00 0.00 C ATOM 1993 CD LYS A 125 -0.399 -5.432 14.991 1.00 0.00 C ATOM 1994 CE LYS A 125 -1.317 -6.590 14.631 1.00 0.00 C ATOM 1995 NZ LYS A 125 -1.462 -6.746 13.158 1.00 0.00 N ATOM 0 H LYS A 125 -2.722 -2.361 13.895 1.00 0.00 H new ATOM 0 HA LYS A 125 -2.298 -2.218 16.630 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -0.727 -2.981 14.201 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.199 -2.690 15.660 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -0.870 -4.447 16.840 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -2.206 -4.521 15.708 1.00 0.00 H new ATOM 0 HD2 LYS A 125 0.010 -4.994 14.080 1.00 0.00 H new ATOM 0 HD3 LYS A 125 0.445 -5.803 15.572 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -0.922 -7.512 15.057 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -2.298 -6.428 15.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -1.796 -7.707 12.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -2.150 -6.052 12.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -0.542 -6.588 12.700 1.00 0.00 H new ATOM 2009 N LEU A 126 -0.578 0.063 14.966 1.00 0.00 N ATOM 2010 CA LEU A 126 0.144 1.328 15.123 1.00 0.00 C ATOM 2011 C LEU A 126 -0.820 2.492 15.331 1.00 0.00 C ATOM 2012 O LEU A 126 -0.638 3.313 16.227 1.00 0.00 O ATOM 2013 CB LEU A 126 1.022 1.592 13.899 1.00 0.00 C ATOM 2014 CG LEU A 126 2.422 0.979 13.961 1.00 0.00 C ATOM 2015 CD1 LEU A 126 3.256 1.660 15.035 1.00 0.00 C ATOM 2016 CD2 LEU A 126 2.336 -0.518 14.219 1.00 0.00 C ATOM 0 H LEU A 126 -0.660 -0.259 14.002 1.00 0.00 H new ATOM 0 HA LEU A 126 0.776 1.245 16.008 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.512 1.207 13.016 1.00 0.00 H new ATOM 0 HB3 LEU A 126 1.119 2.670 13.767 1.00 0.00 H new ATOM 0 HG LEU A 126 2.910 1.135 12.999 1.00 0.00 H new ATOM 0 HD11 LEU A 126 4.249 1.211 15.064 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.345 2.722 14.807 1.00 0.00 H new ATOM 0 HD13 LEU A 126 2.773 1.536 16.004 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.341 -0.938 14.260 1.00 0.00 H new ATOM 0 HD22 LEU A 126 1.829 -0.695 15.168 1.00 0.00 H new ATOM 0 HD23 LEU A 126 1.776 -0.994 13.414 1.00 0.00 H new ATOM 2028 N LYS A 127 -1.821 2.567 14.465 1.00 0.00 N ATOM 2029 CA LYS A 127 -2.814 3.640 14.503 1.00 0.00 C ATOM 2030 C LYS A 127 -3.388 3.800 15.896 1.00 0.00 C ATOM 2031 O LYS A 127 -3.642 4.914 16.353 1.00 0.00 O ATOM 2032 CB LYS A 127 -3.942 3.346 13.530 1.00 0.00 C ATOM 2033 CG LYS A 127 -5.145 4.261 13.690 1.00 0.00 C ATOM 2034 CD LYS A 127 -6.394 3.484 14.075 1.00 0.00 C ATOM 2035 CE LYS A 127 -7.611 4.391 14.161 1.00 0.00 C ATOM 2036 NZ LYS A 127 -8.490 4.034 15.308 1.00 0.00 N ATOM 0 H LYS A 127 -1.970 1.890 13.717 1.00 0.00 H new ATOM 0 HA LYS A 127 -2.315 4.566 14.218 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -3.563 3.434 12.512 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -4.263 2.313 13.662 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -4.933 5.011 14.452 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -5.322 4.796 12.757 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -6.576 2.699 13.341 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -6.237 2.993 15.035 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -7.286 5.426 14.262 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -8.180 4.324 13.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -9.308 4.676 15.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -8.822 3.054 15.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -7.955 4.122 16.196 1.00 0.00 H new ATOM 2050 N ARG A 128 -3.571 2.683 16.578 1.00 0.00 N ATOM 2051 CA ARG A 128 -4.089 2.712 17.933 1.00 0.00 C ATOM 2052 C ARG A 128 -3.099 3.444 18.837 1.00 0.00 C ATOM 2053 O ARG A 128 -3.408 3.772 19.983 1.00 0.00 O ATOM 2054 CB ARG A 128 -4.331 1.284 18.431 1.00 0.00 C ATOM 2055 CG ARG A 128 -4.473 1.164 19.942 1.00 0.00 C ATOM 2056 CD ARG A 128 -4.595 -0.287 20.381 1.00 0.00 C ATOM 2057 NE ARG A 128 -3.394 -0.753 21.074 1.00 0.00 N ATOM 2058 CZ ARG A 128 -2.358 -1.331 20.467 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -2.363 -1.512 19.151 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -1.312 -1.727 21.179 1.00 0.00 N ATOM 0 H ARG A 128 -3.370 1.750 16.218 1.00 0.00 H new ATOM 0 HA ARG A 128 -5.040 3.243 17.952 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -5.234 0.896 17.961 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -3.505 0.653 18.104 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -3.609 1.619 20.426 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -5.352 1.719 20.270 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -5.458 -0.396 21.038 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -4.777 -0.915 19.509 1.00 0.00 H new ATOM 0 HE ARG A 128 -3.347 -0.628 22.085 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -3.164 -1.208 18.597 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -1.566 -1.955 18.694 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -1.301 -1.589 22.190 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -0.518 -2.170 20.716 1.00 0.00 H new ATOM 2074 N LEU A 129 -1.904 3.704 18.299 1.00 0.00 N ATOM 2075 CA LEU A 129 -0.855 4.405 19.032 1.00 0.00 C ATOM 2076 C LEU A 129 -0.730 3.884 20.463 1.00 0.00 C ATOM 2077 O LEU A 129 -1.264 4.478 21.400 1.00 0.00 O ATOM 2078 CB LEU A 129 -1.134 5.911 19.046 1.00 0.00 C ATOM 2079 CG LEU A 129 -1.633 6.495 17.718 1.00 0.00 C ATOM 2080 CD1 LEU A 129 -3.030 7.076 17.880 1.00 0.00 C ATOM 2081 CD2 LEU A 129 -0.673 7.558 17.197 1.00 0.00 C ATOM 0 H LEU A 129 -1.641 3.436 17.351 1.00 0.00 H new ATOM 0 HA LEU A 129 0.090 4.218 18.521 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -1.875 6.120 19.818 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.220 6.431 19.333 1.00 0.00 H new ATOM 0 HG LEU A 129 -1.676 5.686 16.988 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -3.367 7.485 16.927 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -3.715 6.291 18.200 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -3.010 7.868 18.629 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -1.048 7.957 16.255 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -0.593 8.364 17.926 1.00 0.00 H new ATOM 0 HD23 LEU A 129 0.310 7.114 17.037 1.00 0.00 H new TER 2093 LEU A 129 HETATM 2094 MG MG A 130 -3.047 -2.840 -9.539 1.00 0.00 MG HETATM 2095 OP3 8OG A 131 -9.773 -5.636 -6.489 1.00 20.00 O HETATM 2096 P 8OG A 131 -9.714 -6.811 -5.390 1.00 20.00 P HETATM 2097 OP1 8OG A 131 -9.620 -8.110 -6.092 1.00 20.00 O HETATM 2098 OP2 8OG A 131 -10.812 -6.594 -4.422 1.00 20.00 O HETATM 2099 O5' 8OG A 131 -8.312 -6.519 -4.654 1.00 20.00 O HETATM 2100 C5' 8OG A 131 -7.768 -7.478 -3.744 1.00 20.00 C HETATM 2101 C4' 8OG A 131 -8.698 -7.688 -2.546 1.00 20.00 C HETATM 2102 O4' 8OG A 131 -10.030 -8.162 -2.765 1.00 20.00 O HETATM 2103 C3' 8OG A 131 -8.140 -8.716 -1.559 1.00 20.00 C HETATM 2104 O3' 8OG A 131 -7.837 -8.122 -0.295 1.00 20.00 O HETATM 2105 C2' 8OG A 131 -9.187 -9.826 -1.425 1.00 20.00 C HETATM 2106 C1' 8OG A 131 -10.383 -9.478 -2.317 1.00 20.00 C HETATM 2107 N9 8OG A 131 -10.913 -10.569 -3.164 1.00 20.00 N HETATM 2108 C8 8OG A 131 -10.102 -11.263 -4.023 1.00 20.00 C HETATM 2109 N7 8OG A 131 -10.935 -12.170 -4.621 1.00 20.00 N HETATM 2110 C5 8OG A 131 -12.219 -12.053 -4.156 1.00 20.00 C HETATM 2111 C6 8OG A 131 -13.389 -12.681 -4.404 1.00 20.00 C HETATM 2112 O6 8OG A 131 -13.403 -13.627 -5.266 1.00 20.00 O HETATM 2113 N1 8OG A 131 -14.579 -12.346 -3.767 1.00 20.00 N HETATM 2114 C2 8OG A 131 -14.542 -11.330 -2.849 1.00 20.00 C HETATM 2115 N2 8OG A 131 -15.690 -11.009 -2.236 1.00 20.00 N HETATM 2116 N3 8OG A 131 -13.383 -10.618 -2.521 1.00 20.00 N HETATM 2117 C4 8OG A 131 -12.222 -11.034 -3.225 1.00 20.00 C HETATM 2118 O8 8OG A 131 -8.848 -11.099 -4.224 1.00 20.00 O HETATM 0 HO3' 8OG A 131 -8.661 -8.024 0.226 1.00 20.00 H new HETATM 0 H5'' 8OG A 131 -7.613 -8.426 -4.259 1.00 20.00 H new HETATM 0 H2'' 8OG A 131 -8.761 -10.785 -1.720 1.00 20.00 H new HETATM 0 H7 8OG A 131 -10.638 -12.847 -5.324 1.00 20.00 H new HETATM 0 H5' 8OG A 131 -6.792 -7.141 -3.396 1.00 20.00 H new HETATM 0 H4' 8OG A 131 -8.747 -6.656 -2.200 1.00 20.00 H new HETATM 0 H3' 8OG A 131 -7.199 -9.124 -1.927 1.00 20.00 H new HETATM 0 H22 8OG A 131 -15.707 -10.258 -1.545 1.00 20.00 H new HETATM 0 H21 8OG A 131 -16.547 -11.515 -2.460 1.00 20.00 H new HETATM 0 H2' 8OG A 131 -9.505 -9.923 -0.387 1.00 20.00 H new HETATM 0 H1' 8OG A 131 -11.374 -9.408 -1.868 1.00 20.00 H new HETATM 0 H1 8OG A 131 -15.447 -12.839 -3.976 1.00 20.00 H new HETATM 2131 O HOH A5227 -4.957 -2.517 -8.702 1.00 0.00 O HETATM 2132 O HOH A5228 -3.932 -3.973 -11.084 1.00 0.00 O