USER MOD reduce.3.24.130724 H: found=0, std=0, add=1066, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1056 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 33 SER OG : rot 130:sc= -0.836 USER MOD Set 1.2: B 35 LYS NZ :NH3+ 163:sc= -0.834 (180deg=-0.908) USER MOD Set 2.1: A 27 THR OG1 : rot 124:sc= -0.0945! USER MOD Set 2.2: B 5 GLN : amide:sc= -2.12! K(o=-2.2!,f=1.1) USER MOD Set 3.1: A 5 GLN : amide:sc= -1.64! C(o=-2!,f=-6.2!) USER MOD Set 3.2: B 27 THR OG1 : rot 180:sc= -0.405 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.0726 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -1.66 K(o=-1.7,f=-3.3!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 79:sc= 0.203 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -173:sc= -2.26! (180deg=-2.45) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 17 SER OG : rot -91:sc= 0.905 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.25 X(o=-1.3,f=-0.95) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -119:sc= 0.53 (180deg=-2.06!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 157:sc= -0.0834 (180deg=-0.593) USER MOD Single : A 50 GLN : amide:sc= -3.61! K(o=-3.6!,f=-1.5) USER MOD Single : A 62 TYR OH : rot 0:sc= -1.78 USER MOD Single : A 66 HIS : no HD1:sc= -0.32 X(o=-0.32,f=-0.59) USER MOD Single : A 67 HIS : no HD1:sc= -0.0293 X(o=-0.029,f=-0.21) USER MOD Single : A 68 HIS : no HD1:sc= -0.413 X(o=-0.41,f=-0.0077) USER MOD Single : A 69 HIS : no HD1:sc= -0.257 X(o=-0.26,f=-0.15) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.00016) USER MOD Single : A 71 HIS : no HD1:sc= -1.94! C(o=-1.9!,f=-2.7!) USER MOD Single : B 1 MET CE :methyl -156:sc= -0.141 (180deg=-0.864) USER MOD Single : B 1 MET N :NH3+ -166:sc=-0.00412 (180deg=-0.269) USER MOD Single : B 3 ASN : amide:sc= -4.87! C(o=-4.9!,f=-7.9!) USER MOD Single : B 8 SER OG : rot 23:sc= 0.811 USER MOD Single : B 10 THR OG1 : rot 140:sc= 0 USER MOD Single : B 13 SER OG : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 GLN : amide:sc=-0.00488 K(o=-0.0049,f=-0.98) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 62 TYR OH : rot 30:sc= -0.631 USER MOD Single : B 66 HIS : no HD1:sc= -3.04! C(o=-3!,f=-10!) USER MOD Single : B 67 HIS : no HD1:sc= -2! C(o=-2!,f=-1.8!) USER MOD Single : B 68 HIS : no HE2:sc= -1.37 K(o=-1.4,f=-2.3!) USER MOD Single : B 69 HIS : no HD1:sc= -0.761 K(o=-0.76,f=0.041) USER MOD Single : B 70 HIS : no HD1:sc= -1.44 X(o=-1.4,f=-1) USER MOD Single : B 71 HIS : no HD1:sc= -0.324 X(o=-0.32,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.826 11.324 -14.939 1.00 0.00 N ATOM 2 CA MET A 1 -10.139 10.686 -14.639 1.00 0.00 C ATOM 3 C MET A 1 -9.925 9.485 -13.718 1.00 0.00 C ATOM 4 O MET A 1 -8.865 8.895 -13.691 1.00 0.00 O ATOM 5 CB MET A 1 -10.787 10.215 -15.945 1.00 0.00 C ATOM 6 CG MET A 1 -12.162 9.611 -15.652 1.00 0.00 C ATOM 7 SD MET A 1 -12.973 9.171 -17.209 1.00 0.00 S ATOM 8 CE MET A 1 -14.512 8.544 -16.491 1.00 0.00 C ATOM 0 H1 MET A 1 -8.805 12.282 -14.535 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.061 10.756 -14.523 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.694 11.380 -15.969 1.00 0.00 H new ATOM 0 HA MET A 1 -10.790 11.410 -14.148 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.887 11.053 -16.635 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.151 9.476 -16.432 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.056 8.727 -15.023 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.774 10.324 -15.100 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.176 8.211 -17.288 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.290 7.706 -15.830 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.998 9.337 -15.922 1.00 0.00 H new ATOM 20 N ASP A 2 -10.930 9.121 -12.970 1.00 0.00 N ATOM 21 CA ASP A 2 -10.814 7.953 -12.049 1.00 0.00 C ATOM 22 C ASP A 2 -9.673 8.169 -11.051 1.00 0.00 C ATOM 23 O ASP A 2 -8.533 8.366 -11.422 1.00 0.00 O ATOM 24 CB ASP A 2 -10.556 6.675 -12.849 1.00 0.00 C ATOM 25 CG ASP A 2 -10.613 5.470 -11.908 1.00 0.00 C ATOM 26 OD1 ASP A 2 -11.703 5.132 -11.479 1.00 0.00 O ATOM 27 OD2 ASP A 2 -9.566 4.906 -11.635 1.00 0.00 O ATOM 0 H ASP A 2 -11.837 9.588 -12.957 1.00 0.00 H new ATOM 0 HA ASP A 2 -11.751 7.854 -11.501 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.300 6.570 -13.639 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.581 6.726 -13.334 1.00 0.00 H new ATOM 32 N ASN A 3 -9.978 8.123 -9.783 1.00 0.00 N ATOM 33 CA ASN A 3 -8.924 8.313 -8.737 1.00 0.00 C ATOM 34 C ASN A 3 -9.233 7.406 -7.542 1.00 0.00 C ATOM 35 O ASN A 3 -8.348 6.968 -6.833 1.00 0.00 O ATOM 36 CB ASN A 3 -8.917 9.777 -8.282 1.00 0.00 C ATOM 37 CG ASN A 3 -10.196 10.081 -7.500 1.00 0.00 C ATOM 38 OD1 ASN A 3 -11.286 9.834 -7.974 1.00 0.00 O ATOM 39 ND2 ASN A 3 -10.105 10.602 -6.308 1.00 0.00 N ATOM 0 H ASN A 3 -10.918 7.961 -9.421 1.00 0.00 H new ATOM 0 HA ASN A 3 -7.947 8.057 -9.147 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.044 9.970 -7.659 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -8.843 10.436 -9.147 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -10.950 10.802 -5.773 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.189 10.809 -5.911 1.00 0.00 H new ATOM 46 N ARG A 4 -10.488 7.120 -7.317 1.00 0.00 N ATOM 47 CA ARG A 4 -10.866 6.242 -6.181 1.00 0.00 C ATOM 48 C ARG A 4 -10.210 4.880 -6.374 1.00 0.00 C ATOM 49 O ARG A 4 -10.117 4.376 -7.475 1.00 0.00 O ATOM 50 CB ARG A 4 -12.388 6.065 -6.160 1.00 0.00 C ATOM 51 CG ARG A 4 -13.084 7.382 -5.777 1.00 0.00 C ATOM 52 CD ARG A 4 -13.093 7.563 -4.252 1.00 0.00 C ATOM 53 NE ARG A 4 -13.683 6.352 -3.614 1.00 0.00 N ATOM 54 CZ ARG A 4 -14.967 6.144 -3.679 1.00 0.00 C ATOM 55 NH1 ARG A 4 -15.733 7.009 -4.281 1.00 0.00 N ATOM 56 NH2 ARG A 4 -15.486 5.071 -3.144 1.00 0.00 N ATOM 0 H ARG A 4 -11.269 7.461 -7.877 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.537 6.688 -5.243 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -12.734 5.737 -7.140 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -12.658 5.285 -5.448 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -12.570 8.221 -6.246 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -14.106 7.383 -6.155 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -12.078 7.722 -3.887 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -13.670 8.447 -3.983 1.00 0.00 H new ATOM 0 HE ARG A 4 -13.082 5.687 -3.127 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -15.327 7.846 -4.699 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -16.739 6.849 -4.334 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -14.885 4.394 -2.674 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -16.492 4.911 -3.196 1.00 0.00 H new ATOM 70 N GLN A 5 -9.745 4.277 -5.315 1.00 0.00 N ATOM 71 CA GLN A 5 -9.089 2.947 -5.446 1.00 0.00 C ATOM 72 C GLN A 5 -9.251 2.158 -4.151 1.00 0.00 C ATOM 73 O GLN A 5 -9.540 2.707 -3.105 1.00 0.00 O ATOM 74 CB GLN A 5 -7.599 3.142 -5.740 1.00 0.00 C ATOM 75 CG GLN A 5 -6.969 4.026 -4.663 1.00 0.00 C ATOM 76 CD GLN A 5 -5.551 4.421 -5.086 1.00 0.00 C ATOM 77 OE1 GLN A 5 -4.840 5.065 -4.341 1.00 0.00 O ATOM 78 NE2 GLN A 5 -5.111 4.068 -6.263 1.00 0.00 N ATOM 0 H GLN A 5 -9.791 4.648 -4.366 1.00 0.00 H new ATOM 0 HA GLN A 5 -9.556 2.396 -6.262 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.096 2.176 -5.770 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.469 3.600 -6.721 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.576 4.919 -4.510 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.941 3.494 -3.712 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.707 3.527 -6.889 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -4.171 4.333 -6.557 1.00 0.00 H new ATOM 87 N PHE A 6 -9.060 0.866 -4.222 1.00 0.00 N ATOM 88 CA PHE A 6 -9.184 -0.005 -3.016 1.00 0.00 C ATOM 89 C PHE A 6 -7.820 -0.650 -2.769 1.00 0.00 C ATOM 90 O PHE A 6 -7.142 -1.040 -3.698 1.00 0.00 O ATOM 91 CB PHE A 6 -10.240 -1.089 -3.287 1.00 0.00 C ATOM 92 CG PHE A 6 -11.358 -0.491 -4.105 1.00 0.00 C ATOM 93 CD1 PHE A 6 -11.204 -0.351 -5.489 1.00 0.00 C ATOM 94 CD2 PHE A 6 -12.541 -0.064 -3.487 1.00 0.00 C ATOM 95 CE1 PHE A 6 -12.228 0.213 -6.256 1.00 0.00 C ATOM 96 CE2 PHE A 6 -13.568 0.500 -4.255 1.00 0.00 C ATOM 97 CZ PHE A 6 -13.410 0.640 -5.640 1.00 0.00 C ATOM 0 H PHE A 6 -8.819 0.370 -5.080 1.00 0.00 H new ATOM 0 HA PHE A 6 -9.490 0.572 -2.143 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -9.791 -1.928 -3.819 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -10.629 -1.480 -2.347 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -10.292 -0.679 -5.966 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -12.661 -0.170 -2.419 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -12.107 0.319 -7.324 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -14.481 0.827 -3.780 1.00 0.00 H new ATOM 0 HZ PHE A 6 -14.200 1.077 -6.232 1.00 0.00 H new ATOM 107 N LEU A 7 -7.405 -0.753 -1.531 1.00 0.00 N ATOM 108 CA LEU A 7 -6.071 -1.363 -1.225 1.00 0.00 C ATOM 109 C LEU A 7 -6.283 -2.645 -0.420 1.00 0.00 C ATOM 110 O LEU A 7 -6.940 -2.643 0.602 1.00 0.00 O ATOM 111 CB LEU A 7 -5.245 -0.359 -0.406 1.00 0.00 C ATOM 112 CG LEU A 7 -3.764 -0.793 -0.336 1.00 0.00 C ATOM 113 CD1 LEU A 7 -2.905 0.415 0.054 1.00 0.00 C ATOM 114 CD2 LEU A 7 -3.571 -1.919 0.700 1.00 0.00 C ATOM 0 H LEU A 7 -7.933 -0.441 -0.716 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.541 -1.602 -2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.317 0.631 -0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.654 -0.282 0.601 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.461 -1.169 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.858 0.116 0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.022 1.201 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.223 0.789 1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.521 -2.208 0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.880 -1.565 1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.176 -2.781 0.418 1.00 0.00 H new ATOM 126 N SER A 8 -5.729 -3.740 -0.883 1.00 0.00 N ATOM 127 CA SER A 8 -5.884 -5.044 -0.165 1.00 0.00 C ATOM 128 C SER A 8 -4.520 -5.509 0.338 1.00 0.00 C ATOM 129 O SER A 8 -3.568 -5.607 -0.412 1.00 0.00 O ATOM 130 CB SER A 8 -6.451 -6.090 -1.127 1.00 0.00 C ATOM 131 OG SER A 8 -6.689 -7.300 -0.418 1.00 0.00 O ATOM 0 H SER A 8 -5.171 -3.786 -1.736 1.00 0.00 H new ATOM 0 HA SER A 8 -6.563 -4.917 0.679 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.378 -5.727 -1.572 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.752 -6.266 -1.945 1.00 0.00 H new ATOM 0 HG SER A 8 -7.054 -7.972 -1.031 1.00 0.00 H new ATOM 137 N LEU A 9 -4.420 -5.802 1.608 1.00 0.00 N ATOM 138 CA LEU A 9 -3.121 -6.269 2.177 1.00 0.00 C ATOM 139 C LEU A 9 -3.404 -7.306 3.264 1.00 0.00 C ATOM 140 O LEU A 9 -4.444 -7.291 3.894 1.00 0.00 O ATOM 141 CB LEU A 9 -2.354 -5.081 2.775 1.00 0.00 C ATOM 142 CG LEU A 9 -0.994 -5.548 3.327 1.00 0.00 C ATOM 143 CD1 LEU A 9 -0.128 -6.130 2.194 1.00 0.00 C ATOM 144 CD2 LEU A 9 -0.272 -4.355 3.961 1.00 0.00 C ATOM 0 H LEU A 9 -5.186 -5.738 2.279 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.513 -6.716 1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.202 -4.316 2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.941 -4.624 3.572 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.160 -6.323 4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.830 -6.456 2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.640 -6.981 1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.040 -5.366 1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.692 -4.680 4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.115 -3.582 3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.878 -3.953 4.773 1.00 0.00 H new ATOM 156 N THR A 10 -2.491 -8.217 3.482 1.00 0.00 N ATOM 157 CA THR A 10 -2.707 -9.269 4.519 1.00 0.00 C ATOM 158 C THR A 10 -1.384 -9.576 5.223 1.00 0.00 C ATOM 159 O THR A 10 -0.329 -9.181 4.776 1.00 0.00 O ATOM 160 CB THR A 10 -3.239 -10.533 3.841 1.00 0.00 C ATOM 161 OG1 THR A 10 -3.307 -11.589 4.788 1.00 0.00 O ATOM 162 CG2 THR A 10 -2.319 -10.934 2.689 1.00 0.00 C ATOM 0 H THR A 10 -1.603 -8.277 2.985 1.00 0.00 H new ATOM 0 HA THR A 10 -3.428 -8.918 5.257 1.00 0.00 H new ATOM 0 HB THR A 10 -4.236 -10.334 3.448 1.00 0.00 H new ATOM 0 HG1 THR A 10 -4.111 -11.483 5.339 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.705 -11.835 2.212 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.277 -10.126 1.959 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.318 -11.128 3.074 1.00 0.00 H new ATOM 170 N GLY A 11 -1.435 -10.274 6.327 1.00 0.00 N ATOM 171 CA GLY A 11 -0.180 -10.606 7.069 1.00 0.00 C ATOM 172 C GLY A 11 0.148 -9.487 8.061 1.00 0.00 C ATOM 173 O GLY A 11 1.220 -9.442 8.635 1.00 0.00 O ATOM 0 H GLY A 11 -2.293 -10.630 6.749 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.299 -11.551 7.599 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.644 -10.736 6.368 1.00 0.00 H new ATOM 177 N VAL A 12 -0.768 -8.582 8.271 1.00 0.00 N ATOM 178 CA VAL A 12 -0.512 -7.461 9.224 1.00 0.00 C ATOM 179 C VAL A 12 -0.476 -7.991 10.659 1.00 0.00 C ATOM 180 O VAL A 12 -1.197 -8.901 11.016 1.00 0.00 O ATOM 181 CB VAL A 12 -1.622 -6.418 9.103 1.00 0.00 C ATOM 182 CG1 VAL A 12 -2.956 -7.043 9.514 1.00 0.00 C ATOM 183 CG2 VAL A 12 -1.305 -5.237 10.023 1.00 0.00 C ATOM 0 H VAL A 12 -1.685 -8.569 7.824 1.00 0.00 H new ATOM 0 HA VAL A 12 0.448 -7.006 8.982 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.689 -6.071 8.072 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.748 -6.299 9.428 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.179 -7.887 8.862 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.893 -7.388 10.546 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.094 -4.490 9.941 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.242 -5.586 11.054 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.353 -4.793 9.731 1.00 0.00 H new ATOM 193 N SER A 13 0.356 -7.418 11.487 1.00 0.00 N ATOM 194 CA SER A 13 0.440 -7.884 12.901 1.00 0.00 C ATOM 195 C SER A 13 -0.795 -7.410 13.670 1.00 0.00 C ATOM 196 O SER A 13 -1.475 -8.190 14.309 1.00 0.00 O ATOM 197 CB SER A 13 1.694 -7.307 13.559 1.00 0.00 C ATOM 198 OG SER A 13 2.845 -7.755 12.855 1.00 0.00 O ATOM 0 H SER A 13 0.980 -6.648 11.246 1.00 0.00 H new ATOM 0 HA SER A 13 0.487 -8.973 12.918 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.652 -6.218 13.554 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.747 -7.619 14.602 1.00 0.00 H new ATOM 0 HG SER A 13 3.650 -7.385 13.274 1.00 0.00 H new ATOM 204 N LYS A 14 -1.098 -6.141 13.614 1.00 0.00 N ATOM 205 CA LYS A 14 -2.299 -5.636 14.346 1.00 0.00 C ATOM 206 C LYS A 14 -2.624 -4.210 13.881 1.00 0.00 C ATOM 207 O LYS A 14 -1.782 -3.512 13.351 1.00 0.00 O ATOM 208 CB LYS A 14 -2.031 -5.681 15.867 1.00 0.00 C ATOM 209 CG LYS A 14 -1.193 -4.460 16.326 1.00 0.00 C ATOM 210 CD LYS A 14 -2.115 -3.321 16.824 1.00 0.00 C ATOM 211 CE LYS A 14 -2.357 -3.456 18.336 1.00 0.00 C ATOM 212 NZ LYS A 14 -2.434 -4.899 18.707 1.00 0.00 N ATOM 0 H LYS A 14 -0.572 -5.436 13.098 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.160 -6.268 14.130 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.979 -5.698 16.405 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.505 -6.602 16.119 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.512 -4.759 17.123 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.579 -4.103 15.500 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.661 -2.354 16.606 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.066 -3.354 16.292 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.551 -2.971 18.888 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.282 -2.950 18.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.715 -4.986 19.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.137 -5.375 18.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.504 -5.343 18.569 1.00 0.00 H new ATOM 226 N VAL A 15 -3.843 -3.775 14.075 1.00 0.00 N ATOM 227 CA VAL A 15 -4.230 -2.400 13.641 1.00 0.00 C ATOM 228 C VAL A 15 -3.955 -1.412 14.777 1.00 0.00 C ATOM 229 O VAL A 15 -4.550 -1.482 15.835 1.00 0.00 O ATOM 230 CB VAL A 15 -5.721 -2.381 13.298 1.00 0.00 C ATOM 231 CG1 VAL A 15 -6.134 -0.966 12.881 1.00 0.00 C ATOM 232 CG2 VAL A 15 -5.991 -3.357 12.150 1.00 0.00 C ATOM 0 H VAL A 15 -4.588 -4.314 14.516 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.649 -2.115 12.764 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.300 -2.681 14.172 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.196 -0.954 12.637 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.942 -0.274 13.701 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.558 -0.661 12.007 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.053 -3.345 11.904 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.413 -3.059 11.275 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.700 -4.363 12.452 1.00 0.00 H new ATOM 242 N GLN A 16 -3.058 -0.490 14.566 1.00 0.00 N ATOM 243 CA GLN A 16 -2.743 0.502 15.634 1.00 0.00 C ATOM 244 C GLN A 16 -3.932 1.442 15.831 1.00 0.00 C ATOM 245 O GLN A 16 -4.278 1.799 16.939 1.00 0.00 O ATOM 246 CB GLN A 16 -1.504 1.311 15.234 1.00 0.00 C ATOM 247 CG GLN A 16 -1.211 2.384 16.286 1.00 0.00 C ATOM 248 CD GLN A 16 0.107 3.077 15.938 1.00 0.00 C ATOM 249 OE1 GLN A 16 0.238 3.661 14.881 1.00 0.00 O ATOM 250 NE2 GLN A 16 1.099 3.034 16.785 1.00 0.00 N ATOM 0 H GLN A 16 -2.529 -0.380 13.701 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.544 -0.024 16.568 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -0.645 0.648 15.131 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.664 1.778 14.262 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.022 3.112 16.317 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.149 1.933 17.276 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.991 2.544 17.673 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.983 3.490 16.559 1.00 0.00 H new ATOM 259 N SER A 17 -4.551 1.854 14.762 1.00 0.00 N ATOM 260 CA SER A 17 -5.710 2.778 14.885 1.00 0.00 C ATOM 261 C SER A 17 -6.528 2.759 13.594 1.00 0.00 C ATOM 262 O SER A 17 -6.016 2.995 12.518 1.00 0.00 O ATOM 263 CB SER A 17 -5.199 4.196 15.138 1.00 0.00 C ATOM 264 OG SER A 17 -6.292 5.034 15.492 1.00 0.00 O ATOM 0 H SER A 17 -4.304 1.591 13.808 1.00 0.00 H new ATOM 0 HA SER A 17 -6.340 2.458 15.715 1.00 0.00 H new ATOM 0 HB2 SER A 17 -4.457 4.190 15.936 1.00 0.00 H new ATOM 0 HB3 SER A 17 -4.705 4.581 14.246 1.00 0.00 H new ATOM 0 HG SER A 17 -6.667 5.441 14.683 1.00 0.00 H new ATOM 270 N PHE A 18 -7.803 2.489 13.701 1.00 0.00 N ATOM 271 CA PHE A 18 -8.694 2.461 12.501 1.00 0.00 C ATOM 272 C PHE A 18 -9.627 3.675 12.555 1.00 0.00 C ATOM 273 O PHE A 18 -10.518 3.747 13.378 1.00 0.00 O ATOM 274 CB PHE A 18 -9.497 1.141 12.524 1.00 0.00 C ATOM 275 CG PHE A 18 -10.843 1.301 11.843 1.00 0.00 C ATOM 276 CD1 PHE A 18 -10.944 1.984 10.627 1.00 0.00 C ATOM 277 CD2 PHE A 18 -11.991 0.770 12.444 1.00 0.00 C ATOM 278 CE1 PHE A 18 -12.192 2.137 10.012 1.00 0.00 C ATOM 279 CE2 PHE A 18 -13.237 0.921 11.830 1.00 0.00 C ATOM 280 CZ PHE A 18 -13.339 1.605 10.614 1.00 0.00 C ATOM 0 H PHE A 18 -8.272 2.283 14.583 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.117 2.508 11.577 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.926 0.357 12.026 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.645 0.821 13.555 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.059 2.393 10.162 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -11.913 0.243 13.383 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -12.270 2.665 9.073 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -14.121 0.510 12.294 1.00 0.00 H new ATOM 0 HZ PHE A 18 -14.302 1.723 10.140 1.00 0.00 H new ATOM 290 N ASP A 19 -9.429 4.622 11.673 1.00 0.00 N ATOM 291 CA ASP A 19 -10.299 5.842 11.647 1.00 0.00 C ATOM 292 C ASP A 19 -10.719 6.119 10.195 1.00 0.00 C ATOM 293 O ASP A 19 -9.973 5.841 9.277 1.00 0.00 O ATOM 294 CB ASP A 19 -9.510 7.038 12.194 1.00 0.00 C ATOM 295 CG ASP A 19 -8.714 6.599 13.424 1.00 0.00 C ATOM 296 OD1 ASP A 19 -9.293 6.555 14.496 1.00 0.00 O ATOM 297 OD2 ASP A 19 -7.535 6.318 13.274 1.00 0.00 O ATOM 0 H ASP A 19 -8.697 4.604 10.963 1.00 0.00 H new ATOM 0 HA ASP A 19 -11.185 5.685 12.262 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.836 7.424 11.429 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.191 7.848 12.457 1.00 0.00 H new ATOM 302 N PRO A 20 -11.893 6.663 9.973 1.00 0.00 N ATOM 303 CA PRO A 20 -12.370 6.962 8.592 1.00 0.00 C ATOM 304 C PRO A 20 -11.537 8.071 7.934 1.00 0.00 C ATOM 305 O PRO A 20 -11.514 8.208 6.727 1.00 0.00 O ATOM 306 CB PRO A 20 -13.832 7.403 8.790 1.00 0.00 C ATOM 307 CG PRO A 20 -13.904 7.885 10.205 1.00 0.00 C ATOM 308 CD PRO A 20 -12.886 7.055 10.992 1.00 0.00 C ATOM 0 HA PRO A 20 -12.278 6.103 7.927 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -14.104 8.193 8.090 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -14.520 6.575 8.620 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -13.670 8.948 10.266 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.908 7.755 10.610 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -12.430 7.636 11.794 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -13.351 6.184 11.454 1.00 0.00 H new ATOM 316 N LYS A 21 -10.849 8.860 8.723 1.00 0.00 N ATOM 317 CA LYS A 21 -10.010 9.963 8.153 1.00 0.00 C ATOM 318 C LYS A 21 -8.542 9.525 8.110 1.00 0.00 C ATOM 319 O LYS A 21 -7.690 10.218 7.587 1.00 0.00 O ATOM 320 CB LYS A 21 -10.154 11.208 9.031 1.00 0.00 C ATOM 321 CG LYS A 21 -11.614 11.671 9.000 1.00 0.00 C ATOM 322 CD LYS A 21 -11.774 12.995 9.759 1.00 0.00 C ATOM 323 CE LYS A 21 -11.574 12.778 11.261 1.00 0.00 C ATOM 324 NZ LYS A 21 -12.096 13.962 12.002 1.00 0.00 N ATOM 0 H LYS A 21 -10.832 8.788 9.740 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.342 10.191 7.140 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.851 10.985 10.054 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.499 12.001 8.670 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.940 11.795 7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.253 10.909 9.447 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.050 13.722 9.391 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.765 13.410 9.574 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.093 11.875 11.582 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.516 12.633 11.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.962 13.819 13.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.581 14.814 11.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.109 14.080 11.799 1.00 0.00 H new ATOM 338 N GLU A 22 -8.241 8.373 8.649 1.00 0.00 N ATOM 339 CA GLU A 22 -6.831 7.877 8.640 1.00 0.00 C ATOM 340 C GLU A 22 -6.793 6.430 9.133 1.00 0.00 C ATOM 341 O GLU A 22 -7.517 6.051 10.031 1.00 0.00 O ATOM 342 CB GLU A 22 -5.952 8.756 9.544 1.00 0.00 C ATOM 343 CG GLU A 22 -4.567 8.111 9.695 1.00 0.00 C ATOM 344 CD GLU A 22 -3.592 9.102 10.328 1.00 0.00 C ATOM 345 OE1 GLU A 22 -3.992 9.792 11.250 1.00 0.00 O ATOM 346 OE2 GLU A 22 -2.456 9.142 9.888 1.00 0.00 O ATOM 0 H GLU A 22 -8.913 7.751 9.097 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.446 7.924 7.621 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.855 9.754 9.116 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.419 8.872 10.522 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.640 7.216 10.313 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.196 7.796 8.720 1.00 0.00 H new ATOM 353 N ILE A 23 -5.938 5.625 8.551 1.00 0.00 N ATOM 354 CA ILE A 23 -5.821 4.193 8.975 1.00 0.00 C ATOM 355 C ILE A 23 -4.350 3.845 9.195 1.00 0.00 C ATOM 356 O ILE A 23 -3.507 4.103 8.359 1.00 0.00 O ATOM 357 CB ILE A 23 -6.414 3.292 7.889 1.00 0.00 C ATOM 358 CG1 ILE A 23 -7.923 3.521 7.817 1.00 0.00 C ATOM 359 CG2 ILE A 23 -6.135 1.823 8.217 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.480 2.861 6.555 1.00 0.00 C ATOM 0 H ILE A 23 -5.311 5.900 7.795 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.367 4.040 9.906 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.957 3.534 6.930 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.407 3.106 8.701 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.139 4.589 7.807 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.561 1.189 7.439 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.059 1.660 8.269 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.587 1.572 9.177 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.556 3.024 6.504 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.005 3.297 5.676 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.277 1.791 6.584 1.00 0.00 H new ATOM 372 N LEU A 24 -4.046 3.257 10.324 1.00 0.00 N ATOM 373 CA LEU A 24 -2.637 2.871 10.639 1.00 0.00 C ATOM 374 C LEU A 24 -2.571 1.348 10.779 1.00 0.00 C ATOM 375 O LEU A 24 -3.312 0.755 11.537 1.00 0.00 O ATOM 376 CB LEU A 24 -2.221 3.533 11.957 1.00 0.00 C ATOM 377 CG LEU A 24 -2.405 5.054 11.857 1.00 0.00 C ATOM 378 CD1 LEU A 24 -2.021 5.701 13.191 1.00 0.00 C ATOM 379 CD2 LEU A 24 -1.514 5.620 10.740 1.00 0.00 C ATOM 0 H LEU A 24 -4.723 3.025 11.050 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.964 3.197 9.846 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.820 3.138 12.778 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.180 3.297 12.180 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.448 5.273 11.627 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.151 6.781 13.122 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.659 5.308 13.983 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.979 5.475 13.419 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.651 6.699 10.677 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.470 5.400 10.961 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.788 5.163 9.789 1.00 0.00 H new ATOM 391 N LEU A 25 -1.692 0.713 10.040 1.00 0.00 N ATOM 392 CA LEU A 25 -1.568 -0.781 10.100 1.00 0.00 C ATOM 393 C LEU A 25 -0.153 -1.161 10.514 1.00 0.00 C ATOM 394 O LEU A 25 0.816 -0.683 9.957 1.00 0.00 O ATOM 395 CB LEU A 25 -1.858 -1.355 8.712 1.00 0.00 C ATOM 396 CG LEU A 25 -3.270 -0.951 8.278 1.00 0.00 C ATOM 397 CD1 LEU A 25 -3.513 -1.439 6.850 1.00 0.00 C ATOM 398 CD2 LEU A 25 -4.314 -1.578 9.222 1.00 0.00 C ATOM 0 H LEU A 25 -1.049 1.169 9.392 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.275 -1.180 10.827 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.126 -0.986 7.994 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.768 -2.441 8.730 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.364 0.134 8.320 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.517 -1.155 6.534 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.781 -0.987 6.181 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.415 -2.524 6.815 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.315 -1.284 8.904 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.227 -2.664 9.190 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.140 -1.230 10.240 1.00 0.00 H new ATOM 410 N GLU A 26 -0.021 -2.023 11.492 1.00 0.00 N ATOM 411 CA GLU A 26 1.336 -2.437 11.948 1.00 0.00 C ATOM 412 C GLU A 26 1.719 -3.752 11.306 1.00 0.00 C ATOM 413 O GLU A 26 1.245 -4.809 11.678 1.00 0.00 O ATOM 414 CB GLU A 26 1.336 -2.578 13.451 1.00 0.00 C ATOM 415 CG GLU A 26 0.803 -1.284 14.046 1.00 0.00 C ATOM 416 CD GLU A 26 1.130 -1.223 15.538 1.00 0.00 C ATOM 417 OE1 GLU A 26 0.678 -2.097 16.260 1.00 0.00 O ATOM 418 OE2 GLU A 26 1.825 -0.304 15.933 1.00 0.00 O ATOM 0 H GLU A 26 -0.797 -2.456 11.993 1.00 0.00 H new ATOM 0 HA GLU A 26 2.063 -1.680 11.655 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.715 -3.421 13.754 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.344 -2.778 13.815 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.244 -0.429 13.533 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.275 -1.223 13.898 1.00 0.00 H new ATOM 425 N THR A 27 2.568 -3.672 10.324 1.00 0.00 N ATOM 426 CA THR A 27 3.013 -4.887 9.592 1.00 0.00 C ATOM 427 C THR A 27 4.542 -4.964 9.557 1.00 0.00 C ATOM 428 O THR A 27 5.241 -4.192 10.189 1.00 0.00 O ATOM 429 CB THR A 27 2.478 -4.808 8.166 1.00 0.00 C ATOM 430 OG1 THR A 27 2.927 -5.935 7.427 1.00 0.00 O ATOM 431 CG2 THR A 27 2.983 -3.516 7.522 1.00 0.00 C ATOM 0 H THR A 27 2.980 -2.800 9.992 1.00 0.00 H new ATOM 0 HA THR A 27 2.635 -5.776 10.097 1.00 0.00 H new ATOM 0 HB THR A 27 1.388 -4.808 8.173 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.155 -6.409 7.052 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.607 -3.447 6.501 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.629 -2.660 8.097 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.073 -3.518 7.508 1.00 0.00 H new ATOM 439 N ILE A 28 5.041 -5.912 8.806 1.00 0.00 N ATOM 440 CA ILE A 28 6.508 -6.134 8.662 1.00 0.00 C ATOM 441 C ILE A 28 7.281 -4.819 8.773 1.00 0.00 C ATOM 442 O ILE A 28 6.778 -3.754 8.488 1.00 0.00 O ATOM 443 CB ILE A 28 6.823 -6.771 7.287 1.00 0.00 C ATOM 444 CG1 ILE A 28 5.724 -7.770 6.886 1.00 0.00 C ATOM 445 CG2 ILE A 28 8.166 -7.514 7.368 1.00 0.00 C ATOM 446 CD1 ILE A 28 5.998 -8.295 5.476 1.00 0.00 C ATOM 0 H ILE A 28 4.469 -6.563 8.268 1.00 0.00 H new ATOM 0 HA ILE A 28 6.816 -6.802 9.466 1.00 0.00 H new ATOM 0 HB ILE A 28 6.871 -5.979 6.540 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.695 -8.598 7.594 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.748 -7.286 6.922 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.392 -7.964 6.401 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.955 -6.811 7.634 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.105 -8.295 8.126 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.219 -9.003 5.193 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.005 -7.462 4.773 1.00 0.00 H new ATOM 0 HD13 ILE A 28 6.966 -8.795 5.456 1.00 0.00 H new ATOM 458 N GLN A 29 8.511 -4.934 9.163 1.00 0.00 N ATOM 459 CA GLN A 29 9.427 -3.761 9.305 1.00 0.00 C ATOM 460 C GLN A 29 8.950 -2.802 10.395 1.00 0.00 C ATOM 461 O GLN A 29 9.684 -2.483 11.311 1.00 0.00 O ATOM 462 CB GLN A 29 9.510 -3.002 7.981 1.00 0.00 C ATOM 463 CG GLN A 29 9.923 -3.959 6.871 1.00 0.00 C ATOM 464 CD GLN A 29 11.321 -4.506 7.157 1.00 0.00 C ATOM 465 OE1 GLN A 29 12.246 -3.753 7.386 1.00 0.00 O ATOM 466 NE2 GLN A 29 11.516 -5.796 7.157 1.00 0.00 N ATOM 0 H GLN A 29 8.943 -5.827 9.401 1.00 0.00 H new ATOM 0 HA GLN A 29 10.409 -4.144 9.585 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.545 -2.552 7.747 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.231 -2.188 8.061 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.209 -4.779 6.800 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.913 -3.444 5.911 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.740 -6.429 6.965 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.445 -6.171 7.349 1.00 0.00 H new ATOM 475 N GLY A 30 7.744 -2.319 10.301 1.00 0.00 N ATOM 476 CA GLY A 30 7.264 -1.359 11.330 1.00 0.00 C ATOM 477 C GLY A 30 5.785 -1.058 11.111 1.00 0.00 C ATOM 478 O GLY A 30 4.968 -1.954 10.992 1.00 0.00 O ATOM 0 H GLY A 30 7.076 -2.545 9.564 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.416 -1.775 12.326 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.843 -0.437 11.278 1.00 0.00 H new ATOM 482 N VAL A 31 5.437 0.206 11.072 1.00 0.00 N ATOM 483 CA VAL A 31 4.008 0.601 10.882 1.00 0.00 C ATOM 484 C VAL A 31 3.842 1.456 9.626 1.00 0.00 C ATOM 485 O VAL A 31 4.612 2.357 9.359 1.00 0.00 O ATOM 486 CB VAL A 31 3.537 1.394 12.101 1.00 0.00 C ATOM 487 CG1 VAL A 31 2.057 1.747 11.924 1.00 0.00 C ATOM 488 CG2 VAL A 31 3.731 0.550 13.373 1.00 0.00 C ATOM 0 H VAL A 31 6.088 0.986 11.165 1.00 0.00 H new ATOM 0 HA VAL A 31 3.409 -0.303 10.768 1.00 0.00 H new ATOM 0 HB VAL A 31 4.120 2.310 12.196 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.712 2.313 12.789 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.932 2.348 11.023 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.473 0.831 11.833 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.395 1.117 14.241 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.150 -0.369 13.292 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.786 0.303 13.488 1.00 0.00 H new ATOM 498 N LEU A 32 2.821 1.169 8.857 1.00 0.00 N ATOM 499 CA LEU A 32 2.554 1.943 7.602 1.00 0.00 C ATOM 500 C LEU A 32 1.377 2.890 7.839 1.00 0.00 C ATOM 501 O LEU A 32 0.318 2.480 8.269 1.00 0.00 O ATOM 502 CB LEU A 32 2.228 0.950 6.466 1.00 0.00 C ATOM 503 CG LEU A 32 1.603 1.663 5.253 1.00 0.00 C ATOM 504 CD1 LEU A 32 2.541 2.750 4.729 1.00 0.00 C ATOM 505 CD2 LEU A 32 1.370 0.636 4.144 1.00 0.00 C ATOM 0 H LEU A 32 2.152 0.422 9.047 1.00 0.00 H new ATOM 0 HA LEU A 32 3.428 2.531 7.323 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.139 0.437 6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.542 0.187 6.834 1.00 0.00 H new ATOM 0 HG LEU A 32 0.662 2.122 5.557 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.083 3.243 3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.723 3.483 5.515 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.486 2.300 4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.927 1.129 3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.321 0.187 3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.695 -0.141 4.503 1.00 0.00 H new ATOM 517 N SER A 33 1.561 4.159 7.558 1.00 0.00 N ATOM 518 CA SER A 33 0.458 5.147 7.761 1.00 0.00 C ATOM 519 C SER A 33 -0.205 5.454 6.420 1.00 0.00 C ATOM 520 O SER A 33 0.451 5.832 5.464 1.00 0.00 O ATOM 521 CB SER A 33 1.029 6.439 8.349 1.00 0.00 C ATOM 522 OG SER A 33 1.907 6.124 9.422 1.00 0.00 O ATOM 0 H SER A 33 2.430 4.552 7.196 1.00 0.00 H new ATOM 0 HA SER A 33 -0.279 4.729 8.446 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.563 6.996 7.580 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.220 7.079 8.703 1.00 0.00 H new ATOM 0 HG SER A 33 2.274 6.951 9.798 1.00 0.00 H new ATOM 528 N ILE A 34 -1.505 5.288 6.345 1.00 0.00 N ATOM 529 CA ILE A 34 -2.247 5.559 5.071 1.00 0.00 C ATOM 530 C ILE A 34 -3.135 6.794 5.249 1.00 0.00 C ATOM 531 O ILE A 34 -3.905 6.890 6.189 1.00 0.00 O ATOM 532 CB ILE A 34 -3.123 4.351 4.721 1.00 0.00 C ATOM 533 CG1 ILE A 34 -2.230 3.135 4.444 1.00 0.00 C ATOM 534 CG2 ILE A 34 -3.957 4.666 3.474 1.00 0.00 C ATOM 535 CD1 ILE A 34 -3.093 1.874 4.362 1.00 0.00 C ATOM 0 H ILE A 34 -2.089 4.973 7.120 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.532 5.736 4.267 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.788 4.132 5.556 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.685 3.276 3.511 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.487 3.029 5.234 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.580 3.806 3.226 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.592 5.530 3.670 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.293 4.886 2.638 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.458 1.010 4.165 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.618 1.730 5.306 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.819 1.982 3.556 1.00 0.00 H new ATOM 547 N LYS A 35 -3.027 7.742 4.343 1.00 0.00 N ATOM 548 CA LYS A 35 -3.851 8.990 4.426 1.00 0.00 C ATOM 549 C LYS A 35 -4.564 9.226 3.090 1.00 0.00 C ATOM 550 O LYS A 35 -4.033 8.951 2.029 1.00 0.00 O ATOM 551 CB LYS A 35 -2.934 10.179 4.719 1.00 0.00 C ATOM 552 CG LYS A 35 -2.345 10.042 6.125 1.00 0.00 C ATOM 553 CD LYS A 35 -1.416 11.225 6.401 1.00 0.00 C ATOM 554 CE LYS A 35 -0.784 11.065 7.784 1.00 0.00 C ATOM 555 NZ LYS A 35 -1.839 11.200 8.826 1.00 0.00 N ATOM 0 H LYS A 35 -2.396 7.701 3.543 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.590 8.884 5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.133 10.223 3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.494 11.111 4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.144 10.012 6.865 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.795 9.105 6.212 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.639 11.277 5.638 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.975 12.159 6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.300 10.092 7.865 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.011 11.819 7.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.618 12.009 9.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.760 11.354 8.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.877 10.331 9.397 1.00 0.00 H new ATOM 569 N GLY A 36 -5.768 9.737 3.137 1.00 0.00 N ATOM 570 CA GLY A 36 -6.531 9.994 1.880 1.00 0.00 C ATOM 571 C GLY A 36 -7.958 10.421 2.239 1.00 0.00 C ATOM 572 O GLY A 36 -8.164 11.203 3.147 1.00 0.00 O ATOM 0 H GLY A 36 -6.257 9.988 3.996 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.041 10.773 1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.551 9.096 1.262 1.00 0.00 H new ATOM 576 N GLU A 37 -8.949 9.919 1.534 1.00 0.00 N ATOM 577 CA GLU A 37 -10.369 10.300 1.841 1.00 0.00 C ATOM 578 C GLU A 37 -11.251 9.049 1.906 1.00 0.00 C ATOM 579 O GLU A 37 -10.974 8.042 1.285 1.00 0.00 O ATOM 580 CB GLU A 37 -10.912 11.226 0.750 1.00 0.00 C ATOM 581 CG GLU A 37 -10.058 12.496 0.678 1.00 0.00 C ATOM 582 CD GLU A 37 -10.790 13.570 -0.132 1.00 0.00 C ATOM 583 OE1 GLU A 37 -11.986 13.426 -0.331 1.00 0.00 O ATOM 584 OE2 GLU A 37 -10.142 14.520 -0.539 1.00 0.00 O ATOM 0 H GLU A 37 -8.836 9.263 0.761 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.385 10.812 2.803 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.902 10.715 -0.213 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.949 11.485 0.963 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.852 12.864 1.683 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.096 12.272 0.217 1.00 0.00 H new ATOM 591 N LYS A 38 -12.319 9.120 2.654 1.00 0.00 N ATOM 592 CA LYS A 38 -13.243 7.957 2.776 1.00 0.00 C ATOM 593 C LYS A 38 -12.453 6.689 3.102 1.00 0.00 C ATOM 594 O LYS A 38 -12.736 5.624 2.596 1.00 0.00 O ATOM 595 CB LYS A 38 -14.002 7.769 1.465 1.00 0.00 C ATOM 596 CG LYS A 38 -14.948 8.954 1.262 1.00 0.00 C ATOM 597 CD LYS A 38 -15.733 8.773 -0.037 1.00 0.00 C ATOM 598 CE LYS A 38 -16.678 9.961 -0.223 1.00 0.00 C ATOM 599 NZ LYS A 38 -17.454 9.793 -1.484 1.00 0.00 N ATOM 0 H LYS A 38 -12.593 9.943 3.191 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.951 8.148 3.582 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.303 7.699 0.632 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.566 6.837 1.487 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.635 9.031 2.105 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.379 9.883 1.228 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.049 8.701 -0.882 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.300 7.843 -0.006 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.357 10.034 0.626 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.108 10.890 -0.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.095 10.602 -1.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.799 9.744 -2.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.010 8.915 -1.435 1.00 0.00 H new ATOM 613 N LEU A 39 -11.477 6.797 3.958 1.00 0.00 N ATOM 614 CA LEU A 39 -10.668 5.603 4.341 1.00 0.00 C ATOM 615 C LEU A 39 -11.541 4.641 5.154 1.00 0.00 C ATOM 616 O LEU A 39 -11.381 4.506 6.352 1.00 0.00 O ATOM 617 CB LEU A 39 -9.464 6.061 5.184 1.00 0.00 C ATOM 618 CG LEU A 39 -8.273 6.409 4.282 1.00 0.00 C ATOM 619 CD1 LEU A 39 -8.702 7.434 3.234 1.00 0.00 C ATOM 620 CD2 LEU A 39 -7.148 6.997 5.138 1.00 0.00 C ATOM 0 H LEU A 39 -11.201 7.667 4.413 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.309 5.092 3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.741 6.930 5.781 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.181 5.273 5.881 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.922 5.507 3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.853 7.679 2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.506 7.018 2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.054 8.338 3.732 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.299 7.246 4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.504 7.898 5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.839 6.266 5.885 1.00 0.00 H new ATOM 632 N GLY A 40 -12.468 3.975 4.516 1.00 0.00 N ATOM 633 CA GLY A 40 -13.356 3.022 5.252 1.00 0.00 C ATOM 634 C GLY A 40 -13.692 1.834 4.347 1.00 0.00 C ATOM 635 O GLY A 40 -12.952 1.511 3.440 1.00 0.00 O ATOM 0 H GLY A 40 -12.650 4.049 3.515 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.861 2.674 6.159 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.271 3.527 5.562 1.00 0.00 H new ATOM 639 N LEU A 46 -12.724 -10.843 4.789 1.00 0.00 N ATOM 640 CA LEU A 46 -12.606 -12.103 5.580 1.00 0.00 C ATOM 641 C LEU A 46 -11.696 -11.882 6.798 1.00 0.00 C ATOM 642 O LEU A 46 -10.827 -11.034 6.803 1.00 0.00 O ATOM 643 CB LEU A 46 -12.009 -13.210 4.693 1.00 0.00 C ATOM 644 CG LEU A 46 -10.984 -12.602 3.702 1.00 0.00 C ATOM 645 CD1 LEU A 46 -9.821 -13.578 3.483 1.00 0.00 C ATOM 646 CD2 LEU A 46 -11.667 -12.308 2.357 1.00 0.00 C ATOM 0 HA LEU A 46 -13.597 -12.399 5.925 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.524 -13.963 5.314 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.803 -13.714 4.143 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.598 -11.673 4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.106 -13.142 2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.326 -13.774 4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.203 -14.513 3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.941 -11.881 1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -12.064 -13.234 1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.482 -11.600 2.510 1.00 0.00 H new ATOM 658 N LYS A 47 -11.895 -12.669 7.820 1.00 0.00 N ATOM 659 CA LYS A 47 -11.063 -12.568 9.052 1.00 0.00 C ATOM 660 C LYS A 47 -9.864 -13.506 8.926 1.00 0.00 C ATOM 661 O LYS A 47 -8.939 -13.464 9.714 1.00 0.00 O ATOM 662 CB LYS A 47 -11.903 -12.957 10.283 1.00 0.00 C ATOM 663 CG LYS A 47 -12.439 -14.412 10.166 1.00 0.00 C ATOM 664 CD LYS A 47 -13.875 -14.420 9.629 1.00 0.00 C ATOM 665 CE LYS A 47 -14.389 -15.858 9.589 1.00 0.00 C ATOM 666 NZ LYS A 47 -14.476 -16.394 10.976 1.00 0.00 N ATOM 0 H LYS A 47 -12.614 -13.392 7.853 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.713 -11.543 9.173 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.297 -12.862 11.184 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.740 -12.266 10.388 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.795 -14.990 9.503 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.408 -14.896 11.142 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.517 -13.809 10.264 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.905 -13.983 8.631 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -15.369 -15.892 9.113 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.722 -16.477 8.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.160 -17.177 11.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -13.541 -16.740 11.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.788 -15.640 11.621 1.00 0.00 H new ATOM 680 N ALA A 48 -9.894 -14.367 7.944 1.00 0.00 N ATOM 681 CA ALA A 48 -8.782 -15.339 7.745 1.00 0.00 C ATOM 682 C ALA A 48 -7.436 -14.632 7.914 1.00 0.00 C ATOM 683 O ALA A 48 -6.415 -15.263 8.114 1.00 0.00 O ATOM 684 CB ALA A 48 -8.893 -15.931 6.334 1.00 0.00 C ATOM 0 H ALA A 48 -10.651 -14.438 7.264 1.00 0.00 H new ATOM 0 HA ALA A 48 -8.849 -16.137 8.485 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.085 -16.645 6.174 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.852 -16.438 6.227 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.821 -15.131 5.597 1.00 0.00 H new ATOM 690 N GLY A 49 -7.437 -13.327 7.847 1.00 0.00 N ATOM 691 CA GLY A 49 -6.168 -12.552 8.016 1.00 0.00 C ATOM 692 C GLY A 49 -5.977 -11.614 6.829 1.00 0.00 C ATOM 693 O GLY A 49 -4.872 -11.219 6.515 1.00 0.00 O ATOM 0 H GLY A 49 -8.268 -12.759 7.681 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.201 -11.979 8.943 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.321 -13.234 8.093 1.00 0.00 H new ATOM 697 N GLN A 50 -7.046 -11.261 6.167 1.00 0.00 N ATOM 698 CA GLN A 50 -6.944 -10.350 4.988 1.00 0.00 C ATOM 699 C GLN A 50 -7.953 -9.214 5.145 1.00 0.00 C ATOM 700 O GLN A 50 -9.097 -9.431 5.491 1.00 0.00 O ATOM 701 CB GLN A 50 -7.255 -11.143 3.715 1.00 0.00 C ATOM 702 CG GLN A 50 -6.463 -12.456 3.723 1.00 0.00 C ATOM 703 CD GLN A 50 -6.618 -13.147 2.371 1.00 0.00 C ATOM 704 OE1 GLN A 50 -6.085 -14.219 2.155 1.00 0.00 O ATOM 705 NE2 GLN A 50 -7.329 -12.572 1.444 1.00 0.00 N ATOM 0 H GLN A 50 -7.993 -11.566 6.393 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.938 -9.935 4.922 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.323 -11.351 3.655 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.995 -10.555 2.835 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.410 -12.258 3.924 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.823 -13.106 4.520 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.775 -11.673 1.627 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.440 -13.020 0.535 1.00 0.00 H new ATOM 714 N VAL A 51 -7.530 -7.998 4.897 1.00 0.00 N ATOM 715 CA VAL A 51 -8.450 -6.826 5.030 1.00 0.00 C ATOM 716 C VAL A 51 -8.342 -5.958 3.780 1.00 0.00 C ATOM 717 O VAL A 51 -7.391 -6.049 3.025 1.00 0.00 O ATOM 718 CB VAL A 51 -8.061 -6.003 6.259 1.00 0.00 C ATOM 719 CG1 VAL A 51 -9.076 -4.871 6.462 1.00 0.00 C ATOM 720 CG2 VAL A 51 -8.060 -6.906 7.493 1.00 0.00 C ATOM 0 H VAL A 51 -6.580 -7.766 4.606 1.00 0.00 H new ATOM 0 HA VAL A 51 -9.475 -7.179 5.144 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.068 -5.579 6.112 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.798 -4.285 7.338 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.084 -4.227 5.583 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.069 -5.295 6.610 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.783 -6.322 8.371 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.055 -7.327 7.636 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.341 -7.713 7.353 1.00 0.00 H new ATOM 730 N GLU A 52 -9.322 -5.122 3.551 1.00 0.00 N ATOM 731 CA GLU A 52 -9.311 -4.242 2.346 1.00 0.00 C ATOM 732 C GLU A 52 -9.657 -2.812 2.751 1.00 0.00 C ATOM 733 O GLU A 52 -10.222 -2.567 3.800 1.00 0.00 O ATOM 734 CB GLU A 52 -10.339 -4.760 1.341 1.00 0.00 C ATOM 735 CG GLU A 52 -9.870 -6.111 0.794 1.00 0.00 C ATOM 736 CD GLU A 52 -10.972 -6.719 -0.077 1.00 0.00 C ATOM 737 OE1 GLU A 52 -11.939 -6.025 -0.342 1.00 0.00 O ATOM 738 OE2 GLU A 52 -10.835 -7.872 -0.453 1.00 0.00 O ATOM 0 H GLU A 52 -10.137 -5.011 4.154 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.320 -4.251 1.892 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.312 -4.866 1.820 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.461 -4.046 0.526 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.959 -5.982 0.209 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.629 -6.784 1.616 1.00 0.00 H new ATOM 745 N VAL A 53 -9.305 -1.867 1.920 1.00 0.00 N ATOM 746 CA VAL A 53 -9.585 -0.432 2.223 1.00 0.00 C ATOM 747 C VAL A 53 -10.287 0.207 1.025 1.00 0.00 C ATOM 748 O VAL A 53 -10.187 -0.266 -0.090 1.00 0.00 O ATOM 749 CB VAL A 53 -8.259 0.292 2.477 1.00 0.00 C ATOM 750 CG1 VAL A 53 -8.531 1.654 3.120 1.00 0.00 C ATOM 751 CG2 VAL A 53 -7.389 -0.550 3.412 1.00 0.00 C ATOM 0 H VAL A 53 -8.829 -2.030 1.033 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.222 -0.356 3.104 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.740 0.438 1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.586 2.167 3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.149 2.255 2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.052 1.512 4.067 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.445 -0.035 3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.909 -0.698 4.358 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.192 -1.518 2.952 1.00 0.00 H new ATOM 761 N GLU A 54 -10.992 1.284 1.253 1.00 0.00 N ATOM 762 CA GLU A 54 -11.706 1.984 0.140 1.00 0.00 C ATOM 763 C GLU A 54 -11.472 3.486 0.274 1.00 0.00 C ATOM 764 O GLU A 54 -11.570 4.045 1.348 1.00 0.00 O ATOM 765 CB GLU A 54 -13.209 1.683 0.223 1.00 0.00 C ATOM 766 CG GLU A 54 -13.963 2.554 -0.784 1.00 0.00 C ATOM 767 CD GLU A 54 -15.387 2.022 -0.959 1.00 0.00 C ATOM 768 OE1 GLU A 54 -16.018 1.724 0.042 1.00 0.00 O ATOM 769 OE2 GLU A 54 -15.823 1.922 -2.094 1.00 0.00 O ATOM 0 H GLU A 54 -11.106 1.714 2.171 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.328 1.636 -0.821 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -13.391 0.629 0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.574 1.877 1.232 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.990 3.587 -0.438 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.443 2.553 -1.742 1.00 0.00 H new ATOM 776 N GLY A 55 -11.157 4.144 -0.813 1.00 0.00 N ATOM 777 CA GLY A 55 -10.910 5.616 -0.765 1.00 0.00 C ATOM 778 C GLY A 55 -9.752 5.973 -1.699 1.00 0.00 C ATOM 779 O GLY A 55 -9.079 5.114 -2.234 1.00 0.00 O ATOM 0 H GLY A 55 -11.060 3.722 -1.736 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.809 6.156 -1.062 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.676 5.923 0.254 1.00 0.00 H new ATOM 783 N LEU A 56 -9.514 7.243 -1.891 1.00 0.00 N ATOM 784 CA LEU A 56 -8.397 7.686 -2.777 1.00 0.00 C ATOM 785 C LEU A 56 -7.173 8.018 -1.916 1.00 0.00 C ATOM 786 O LEU A 56 -7.284 8.671 -0.899 1.00 0.00 O ATOM 787 CB LEU A 56 -8.846 8.926 -3.566 1.00 0.00 C ATOM 788 CG LEU A 56 -9.072 10.128 -2.608 1.00 0.00 C ATOM 789 CD1 LEU A 56 -7.862 11.075 -2.649 1.00 0.00 C ATOM 790 CD2 LEU A 56 -10.328 10.910 -3.026 1.00 0.00 C ATOM 0 H LEU A 56 -10.051 8.000 -1.468 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.133 6.893 -3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.092 9.183 -4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.766 8.706 -4.107 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.200 9.740 -1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.033 11.913 -1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.967 10.536 -2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.727 11.449 -3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.476 11.750 -2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.203 11.283 -4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.196 10.253 -2.985 1.00 0.00 H new ATOM 802 N ILE A 57 -6.005 7.574 -2.304 1.00 0.00 N ATOM 803 CA ILE A 57 -4.791 7.876 -1.488 1.00 0.00 C ATOM 804 C ILE A 57 -4.256 9.252 -1.896 1.00 0.00 C ATOM 805 O ILE A 57 -3.794 9.448 -3.002 1.00 0.00 O ATOM 806 CB ILE A 57 -3.726 6.786 -1.733 1.00 0.00 C ATOM 807 CG1 ILE A 57 -4.062 5.538 -0.902 1.00 0.00 C ATOM 808 CG2 ILE A 57 -2.332 7.290 -1.327 1.00 0.00 C ATOM 809 CD1 ILE A 57 -5.525 5.145 -1.115 1.00 0.00 C ATOM 0 H ILE A 57 -5.840 7.020 -3.144 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.038 7.887 -0.427 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.724 6.541 -2.795 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.410 4.713 -1.190 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.880 5.735 0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.595 6.507 -1.507 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.077 8.171 -1.917 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.333 7.550 -0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.754 4.259 -0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.171 5.966 -0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.694 4.929 -2.170 1.00 0.00 H new ATOM 821 N ASP A 58 -4.315 10.202 -1.001 1.00 0.00 N ATOM 822 CA ASP A 58 -3.811 11.573 -1.311 1.00 0.00 C ATOM 823 C ASP A 58 -2.401 11.728 -0.735 1.00 0.00 C ATOM 824 O ASP A 58 -1.633 12.565 -1.166 1.00 0.00 O ATOM 825 CB ASP A 58 -4.751 12.611 -0.681 1.00 0.00 C ATOM 826 CG ASP A 58 -4.546 13.972 -1.353 1.00 0.00 C ATOM 827 OD1 ASP A 58 -3.532 14.596 -1.087 1.00 0.00 O ATOM 828 OD2 ASP A 58 -5.405 14.363 -2.126 1.00 0.00 O ATOM 0 H ASP A 58 -4.694 10.086 -0.061 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.780 11.726 -2.390 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.787 12.292 -0.793 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.556 12.690 0.388 1.00 0.00 H new ATOM 833 N ALA A 59 -2.058 10.930 0.244 1.00 0.00 N ATOM 834 CA ALA A 59 -0.703 11.042 0.849 1.00 0.00 C ATOM 835 C ALA A 59 -0.337 9.743 1.579 1.00 0.00 C ATOM 836 O ALA A 59 -1.183 9.055 2.121 1.00 0.00 O ATOM 837 CB ALA A 59 -0.694 12.206 1.846 1.00 0.00 C ATOM 0 H ALA A 59 -2.657 10.210 0.647 1.00 0.00 H new ATOM 0 HA ALA A 59 0.027 11.220 0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.296 12.294 2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.941 13.132 1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.430 12.021 2.628 1.00 0.00 H new ATOM 843 N LEU A 60 0.931 9.419 1.603 1.00 0.00 N ATOM 844 CA LEU A 60 1.409 8.186 2.302 1.00 0.00 C ATOM 845 C LEU A 60 2.632 8.543 3.143 1.00 0.00 C ATOM 846 O LEU A 60 3.421 9.391 2.775 1.00 0.00 O ATOM 847 CB LEU A 60 1.808 7.122 1.274 1.00 0.00 C ATOM 848 CG LEU A 60 0.563 6.468 0.666 1.00 0.00 C ATOM 849 CD1 LEU A 60 0.999 5.533 -0.467 1.00 0.00 C ATOM 850 CD2 LEU A 60 -0.213 5.677 1.735 1.00 0.00 C ATOM 0 H LEU A 60 1.669 9.967 1.160 1.00 0.00 H new ATOM 0 HA LEU A 60 0.611 7.795 2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.408 7.577 0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.429 6.363 1.750 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.096 7.243 0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.121 5.061 -0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.524 6.107 -1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.662 4.765 -0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.093 5.221 1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.428 4.898 2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.524 6.352 2.533 1.00 0.00 H new ATOM 862 N VAL A 61 2.804 7.906 4.272 1.00 0.00 N ATOM 863 CA VAL A 61 3.984 8.219 5.130 1.00 0.00 C ATOM 864 C VAL A 61 4.454 6.953 5.850 1.00 0.00 C ATOM 865 O VAL A 61 3.746 6.401 6.674 1.00 0.00 O ATOM 866 CB VAL A 61 3.574 9.269 6.162 1.00 0.00 C ATOM 867 CG1 VAL A 61 4.771 9.626 7.048 1.00 0.00 C ATOM 868 CG2 VAL A 61 3.084 10.521 5.431 1.00 0.00 C ATOM 0 H VAL A 61 2.181 7.185 4.636 1.00 0.00 H new ATOM 0 HA VAL A 61 4.798 8.598 4.512 1.00 0.00 H new ATOM 0 HB VAL A 61 2.777 8.871 6.790 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.471 10.375 7.781 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.121 8.732 7.565 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.575 10.025 6.430 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.789 11.276 6.160 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.885 10.914 4.805 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.228 10.266 4.806 1.00 0.00 H new ATOM 878 N TYR A 62 5.643 6.485 5.545 1.00 0.00 N ATOM 879 CA TYR A 62 6.177 5.255 6.209 1.00 0.00 C ATOM 880 C TYR A 62 7.594 5.548 6.721 1.00 0.00 C ATOM 881 O TYR A 62 8.358 6.211 6.050 1.00 0.00 O ATOM 882 CB TYR A 62 6.263 4.134 5.170 1.00 0.00 C ATOM 883 CG TYR A 62 7.000 2.942 5.752 1.00 0.00 C ATOM 884 CD1 TYR A 62 8.400 2.945 5.825 1.00 0.00 C ATOM 885 CD2 TYR A 62 6.282 1.838 6.220 1.00 0.00 C ATOM 886 CE1 TYR A 62 9.074 1.848 6.371 1.00 0.00 C ATOM 887 CE2 TYR A 62 6.957 0.739 6.761 1.00 0.00 C ATOM 888 CZ TYR A 62 8.353 0.746 6.838 1.00 0.00 C ATOM 889 OH TYR A 62 9.019 -0.330 7.379 1.00 0.00 O ATOM 0 H TYR A 62 6.269 6.907 4.859 1.00 0.00 H new ATOM 0 HA TYR A 62 5.527 4.962 7.033 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.261 3.837 4.860 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.779 4.492 4.279 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.958 3.794 5.460 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.203 1.834 6.164 1.00 0.00 H new ATOM 0 HE1 TYR A 62 10.152 1.853 6.432 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.400 -0.114 7.119 1.00 0.00 H new ATOM 0 HH TYR A 62 9.984 -0.159 7.363 1.00 0.00 H new ATOM 899 N PRO A 63 7.980 5.034 7.871 1.00 0.00 N ATOM 900 CA PRO A 63 9.362 5.245 8.390 1.00 0.00 C ATOM 901 C PRO A 63 10.424 5.042 7.295 1.00 0.00 C ATOM 902 O PRO A 63 10.986 3.976 7.148 1.00 0.00 O ATOM 903 CB PRO A 63 9.497 4.176 9.486 1.00 0.00 C ATOM 904 CG PRO A 63 8.108 3.969 9.995 1.00 0.00 C ATOM 905 CD PRO A 63 7.168 4.228 8.809 1.00 0.00 C ATOM 0 HA PRO A 63 9.518 6.261 8.753 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.913 3.251 9.087 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.164 4.508 10.282 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.981 2.956 10.377 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.891 4.649 10.818 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.839 3.295 8.351 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.271 4.764 9.121 1.00 0.00 H new ATOM 913 N LEU A 64 10.712 6.061 6.531 1.00 0.00 N ATOM 914 CA LEU A 64 11.741 5.926 5.459 1.00 0.00 C ATOM 915 C LEU A 64 13.044 5.468 6.095 1.00 0.00 C ATOM 916 O LEU A 64 13.999 5.179 5.411 1.00 0.00 O ATOM 917 CB LEU A 64 11.948 7.292 4.793 1.00 0.00 C ATOM 918 CG LEU A 64 13.260 7.325 3.962 1.00 0.00 C ATOM 919 CD1 LEU A 64 13.122 8.337 2.814 1.00 0.00 C ATOM 920 CD2 LEU A 64 14.482 7.715 4.852 1.00 0.00 C ATOM 0 H LEU A 64 10.279 6.982 6.603 1.00 0.00 H new ATOM 0 HA LEU A 64 11.419 5.202 4.711 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.100 7.515 4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.979 8.069 5.556 1.00 0.00 H new ATOM 0 HG LEU A 64 13.431 6.327 3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 64 14.044 8.357 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.294 8.045 2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.930 9.328 3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 64 15.386 7.730 4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 64 14.318 8.703 5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.596 6.985 5.653 1.00 0.00 H new ATOM 932 N GLU A 65 13.073 5.439 7.405 1.00 0.00 N ATOM 933 CA GLU A 65 14.293 5.033 8.171 1.00 0.00 C ATOM 934 C GLU A 65 15.078 6.289 8.561 1.00 0.00 C ATOM 935 O GLU A 65 15.085 6.703 9.703 1.00 0.00 O ATOM 936 CB GLU A 65 15.202 4.096 7.346 1.00 0.00 C ATOM 937 CG GLU A 65 16.113 3.293 8.286 1.00 0.00 C ATOM 938 CD GLU A 65 15.480 1.930 8.610 1.00 0.00 C ATOM 939 OE1 GLU A 65 14.269 1.826 8.522 1.00 0.00 O ATOM 940 OE2 GLU A 65 16.221 1.016 8.937 1.00 0.00 O ATOM 0 H GLU A 65 12.277 5.688 7.992 1.00 0.00 H new ATOM 0 HA GLU A 65 13.972 4.489 9.059 1.00 0.00 H new ATOM 0 HB2 GLU A 65 14.593 3.418 6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 65 15.806 4.680 6.651 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.088 3.147 7.821 1.00 0.00 H new ATOM 0 HG3 GLU A 65 16.279 3.852 9.207 1.00 0.00 H new ATOM 947 N HIS A 66 15.735 6.891 7.617 1.00 0.00 N ATOM 948 CA HIS A 66 16.530 8.122 7.902 1.00 0.00 C ATOM 949 C HIS A 66 17.827 7.729 8.623 1.00 0.00 C ATOM 950 O HIS A 66 18.032 6.585 8.976 1.00 0.00 O ATOM 951 CB HIS A 66 15.697 9.105 8.762 1.00 0.00 C ATOM 952 CG HIS A 66 15.965 10.524 8.320 1.00 0.00 C ATOM 953 ND1 HIS A 66 15.971 10.886 6.981 1.00 0.00 N ATOM 954 CD2 HIS A 66 16.252 11.673 9.020 1.00 0.00 C ATOM 955 CE1 HIS A 66 16.253 12.198 6.914 1.00 0.00 C ATOM 956 NE2 HIS A 66 16.432 12.724 8.126 1.00 0.00 N ATOM 0 H HIS A 66 15.759 6.582 6.645 1.00 0.00 H new ATOM 0 HA HIS A 66 16.783 8.622 6.967 1.00 0.00 H new ATOM 0 HB2 HIS A 66 14.635 8.878 8.664 1.00 0.00 H new ATOM 0 HB3 HIS A 66 15.953 8.988 9.815 1.00 0.00 H new ATOM 0 HD2 HIS A 66 16.326 11.748 10.095 1.00 0.00 H new ATOM 0 HE1 HIS A 66 16.326 12.757 5.993 1.00 0.00 H new ATOM 0 HE2 HIS A 66 16.654 13.694 8.351 1.00 0.00 H new ATOM 964 N HIS A 67 18.718 8.664 8.820 1.00 0.00 N ATOM 965 CA HIS A 67 20.009 8.334 9.489 1.00 0.00 C ATOM 966 C HIS A 67 19.801 8.202 11.006 1.00 0.00 C ATOM 967 O HIS A 67 18.953 8.844 11.591 1.00 0.00 O ATOM 968 CB HIS A 67 21.042 9.448 9.166 1.00 0.00 C ATOM 969 CG HIS A 67 22.233 8.865 8.449 1.00 0.00 C ATOM 970 ND1 HIS A 67 22.955 7.799 8.965 1.00 0.00 N ATOM 971 CD2 HIS A 67 22.823 9.170 7.247 1.00 0.00 C ATOM 972 CE1 HIS A 67 23.926 7.502 8.084 1.00 0.00 C ATOM 973 NE2 HIS A 67 23.889 8.307 7.021 1.00 0.00 N ATOM 0 H HIS A 67 18.607 9.641 8.547 1.00 0.00 H new ATOM 0 HA HIS A 67 20.385 7.380 9.119 1.00 0.00 H new ATOM 0 HB2 HIS A 67 20.577 10.216 8.548 1.00 0.00 H new ATOM 0 HB3 HIS A 67 21.365 9.932 10.088 1.00 0.00 H new ATOM 0 HD2 HIS A 67 22.507 9.959 6.580 1.00 0.00 H new ATOM 0 HE1 HIS A 67 24.647 6.710 8.220 1.00 0.00 H new ATOM 0 HE2 HIS A 67 24.511 8.292 6.213 1.00 0.00 H new ATOM 981 N HIS A 68 20.585 7.369 11.635 1.00 0.00 N ATOM 982 CA HIS A 68 20.461 7.173 13.104 1.00 0.00 C ATOM 983 C HIS A 68 19.215 6.332 13.405 1.00 0.00 C ATOM 984 O HIS A 68 18.461 5.989 12.519 1.00 0.00 O ATOM 985 CB HIS A 68 20.364 8.548 13.808 1.00 0.00 C ATOM 986 CG HIS A 68 21.073 8.499 15.139 1.00 0.00 C ATOM 987 ND1 HIS A 68 22.455 8.554 15.241 1.00 0.00 N ATOM 988 CD2 HIS A 68 20.607 8.388 16.428 1.00 0.00 C ATOM 989 CE1 HIS A 68 22.772 8.475 16.545 1.00 0.00 C ATOM 990 NE2 HIS A 68 21.683 8.373 17.308 1.00 0.00 N ATOM 0 H HIS A 68 21.313 6.811 11.188 1.00 0.00 H new ATOM 0 HA HIS A 68 21.341 6.649 13.478 1.00 0.00 H new ATOM 0 HB2 HIS A 68 20.808 9.320 13.179 1.00 0.00 H new ATOM 0 HB3 HIS A 68 19.318 8.818 13.954 1.00 0.00 H new ATOM 0 HD2 HIS A 68 19.567 8.323 16.712 1.00 0.00 H new ATOM 0 HE1 HIS A 68 23.782 8.492 16.927 1.00 0.00 H new ATOM 0 HE2 HIS A 68 21.647 8.299 18.325 1.00 0.00 H new ATOM 998 N HIS A 69 19.004 5.999 14.652 1.00 0.00 N ATOM 999 CA HIS A 69 17.814 5.179 15.039 1.00 0.00 C ATOM 1000 C HIS A 69 17.094 5.869 16.198 1.00 0.00 C ATOM 1001 O HIS A 69 16.279 5.278 16.879 1.00 0.00 O ATOM 1002 CB HIS A 69 18.285 3.786 15.475 1.00 0.00 C ATOM 1003 CG HIS A 69 17.123 2.831 15.487 1.00 0.00 C ATOM 1004 ND1 HIS A 69 16.898 1.954 16.538 1.00 0.00 N ATOM 1005 CD2 HIS A 69 16.114 2.601 14.583 1.00 0.00 C ATOM 1006 CE1 HIS A 69 15.793 1.243 16.245 1.00 0.00 C ATOM 1007 NE2 HIS A 69 15.280 1.599 15.065 1.00 0.00 N ATOM 0 H HIS A 69 19.611 6.263 15.428 1.00 0.00 H new ATOM 0 HA HIS A 69 17.133 5.081 14.194 1.00 0.00 H new ATOM 0 HB2 HIS A 69 19.057 3.425 14.795 1.00 0.00 H new ATOM 0 HB3 HIS A 69 18.734 3.839 16.467 1.00 0.00 H new ATOM 0 HD2 HIS A 69 15.988 3.119 13.643 1.00 0.00 H new ATOM 0 HE1 HIS A 69 15.374 0.480 16.884 1.00 0.00 H new ATOM 0 HE2 HIS A 69 14.450 1.216 14.612 1.00 0.00 H new ATOM 1015 N HIS A 70 17.390 7.124 16.424 1.00 0.00 N ATOM 1016 CA HIS A 70 16.730 7.872 17.533 1.00 0.00 C ATOM 1017 C HIS A 70 16.690 7.006 18.797 1.00 0.00 C ATOM 1018 O HIS A 70 17.334 5.982 18.883 1.00 0.00 O ATOM 1019 CB HIS A 70 15.299 8.236 17.127 1.00 0.00 C ATOM 1020 CG HIS A 70 15.310 8.862 15.759 1.00 0.00 C ATOM 1021 ND1 HIS A 70 16.168 9.901 15.426 1.00 0.00 N ATOM 1022 CD2 HIS A 70 14.568 8.612 14.629 1.00 0.00 C ATOM 1023 CE1 HIS A 70 15.925 10.233 14.143 1.00 0.00 C ATOM 1024 NE2 HIS A 70 14.960 9.477 13.616 1.00 0.00 N ATOM 0 H HIS A 70 18.065 7.665 15.883 1.00 0.00 H new ATOM 0 HA HIS A 70 17.298 8.780 17.735 1.00 0.00 H new ATOM 0 HB2 HIS A 70 14.672 7.344 17.126 1.00 0.00 H new ATOM 0 HB3 HIS A 70 14.869 8.927 17.852 1.00 0.00 H new ATOM 0 HD2 HIS A 70 13.799 7.859 14.543 1.00 0.00 H new ATOM 0 HE1 HIS A 70 16.446 11.013 13.608 1.00 0.00 H new ATOM 0 HE2 HIS A 70 14.588 9.525 12.667 1.00 0.00 H new ATOM 1032 N HIS A 71 15.929 7.414 19.780 1.00 0.00 N ATOM 1033 CA HIS A 71 15.834 6.619 21.040 1.00 0.00 C ATOM 1034 C HIS A 71 14.422 6.746 21.614 1.00 0.00 C ATOM 1035 O HIS A 71 13.634 5.840 21.399 1.00 0.00 O ATOM 1036 CB HIS A 71 16.847 7.147 22.061 1.00 0.00 C ATOM 1037 CG HIS A 71 16.641 8.624 22.261 1.00 0.00 C ATOM 1038 ND1 HIS A 71 15.996 9.136 23.379 1.00 0.00 N ATOM 1039 CD2 HIS A 71 16.994 9.712 21.502 1.00 0.00 C ATOM 1040 CE1 HIS A 71 15.982 10.478 23.262 1.00 0.00 C ATOM 1041 NE2 HIS A 71 16.578 10.877 22.137 1.00 0.00 N ATOM 1042 OXT HIS A 71 14.154 7.746 22.258 1.00 0.00 O ATOM 0 H HIS A 71 15.368 8.266 19.764 1.00 0.00 H new ATOM 0 HA HIS A 71 16.050 5.573 20.825 1.00 0.00 H new ATOM 0 HB2 HIS A 71 16.730 6.622 23.009 1.00 0.00 H new ATOM 0 HB3 HIS A 71 17.862 6.955 21.713 1.00 0.00 H new ATOM 0 HD2 HIS A 71 17.515 9.670 20.557 1.00 0.00 H new ATOM 0 HE1 HIS A 71 15.543 11.147 23.988 1.00 0.00 H new ATOM 0 HE2 HIS A 71 16.702 11.835 21.811 1.00 0.00 H new TER 1050 HIS A 71 ATOM 1051 N MET B 1 2.238 -16.704 7.475 1.00 0.00 N ATOM 1052 CA MET B 1 2.619 -15.371 8.023 1.00 0.00 C ATOM 1053 C MET B 1 3.933 -14.918 7.380 1.00 0.00 C ATOM 1054 O MET B 1 3.971 -14.514 6.236 1.00 0.00 O ATOM 1055 CB MET B 1 2.813 -15.477 9.539 1.00 0.00 C ATOM 1056 CG MET B 1 1.482 -15.807 10.218 1.00 0.00 C ATOM 1057 SD MET B 1 1.722 -15.840 12.014 1.00 0.00 S ATOM 1058 CE MET B 1 2.718 -17.351 12.100 1.00 0.00 C ATOM 0 H1 MET B 1 1.248 -16.909 7.719 1.00 0.00 H new ATOM 0 H2 MET B 1 2.346 -16.698 6.441 1.00 0.00 H new ATOM 0 H3 MET B 1 2.854 -17.436 7.883 1.00 0.00 H new ATOM 0 HA MET B 1 1.831 -14.650 7.805 1.00 0.00 H new ATOM 0 HB2 MET B 1 3.547 -16.250 9.766 1.00 0.00 H new ATOM 0 HB3 MET B 1 3.206 -14.539 9.930 1.00 0.00 H new ATOM 0 HG2 MET B 1 0.731 -15.063 9.953 1.00 0.00 H new ATOM 0 HG3 MET B 1 1.112 -16.772 9.871 1.00 0.00 H new ATOM 0 HE1 MET B 1 2.625 -17.792 13.092 1.00 0.00 H new ATOM 0 HE2 MET B 1 2.366 -18.062 11.352 1.00 0.00 H new ATOM 0 HE3 MET B 1 3.763 -17.109 11.907 1.00 0.00 H new ATOM 1070 N ASP B 2 5.012 -14.992 8.112 1.00 0.00 N ATOM 1071 CA ASP B 2 6.330 -14.576 7.555 1.00 0.00 C ATOM 1072 C ASP B 2 6.264 -13.114 7.098 1.00 0.00 C ATOM 1073 O ASP B 2 5.304 -12.413 7.352 1.00 0.00 O ATOM 1074 CB ASP B 2 6.683 -15.473 6.359 1.00 0.00 C ATOM 1075 CG ASP B 2 8.192 -15.419 6.099 1.00 0.00 C ATOM 1076 OD1 ASP B 2 8.916 -16.121 6.786 1.00 0.00 O ATOM 1077 OD2 ASP B 2 8.599 -14.677 5.220 1.00 0.00 O ATOM 0 H ASP B 2 5.036 -15.324 9.076 1.00 0.00 H new ATOM 0 HA ASP B 2 7.095 -14.675 8.325 1.00 0.00 H new ATOM 0 HB2 ASP B 2 6.375 -16.499 6.559 1.00 0.00 H new ATOM 0 HB3 ASP B 2 6.140 -15.144 5.473 1.00 0.00 H new ATOM 1082 N ASN B 3 7.286 -12.655 6.422 1.00 0.00 N ATOM 1083 CA ASN B 3 7.307 -11.244 5.936 1.00 0.00 C ATOM 1084 C ASN B 3 6.812 -11.210 4.484 1.00 0.00 C ATOM 1085 O ASN B 3 6.955 -10.226 3.787 1.00 0.00 O ATOM 1086 CB ASN B 3 8.746 -10.714 6.003 1.00 0.00 C ATOM 1087 CG ASN B 3 9.702 -11.808 5.556 1.00 0.00 C ATOM 1088 OD1 ASN B 3 9.803 -12.843 6.184 1.00 0.00 O ATOM 1089 ND2 ASN B 3 10.411 -11.617 4.484 1.00 0.00 N ATOM 0 H ASN B 3 8.113 -13.203 6.184 1.00 0.00 H new ATOM 0 HA ASN B 3 6.661 -10.623 6.556 1.00 0.00 H new ATOM 0 HB2 ASN B 3 8.854 -9.837 5.365 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.984 -10.399 7.019 1.00 0.00 H new ATOM 0 HD21 ASN B 3 11.057 -12.339 4.165 1.00 0.00 H new ATOM 0 HD22 ASN B 3 10.321 -10.746 3.962 1.00 0.00 H new ATOM 1096 N ARG B 4 6.235 -12.282 4.020 1.00 0.00 N ATOM 1097 CA ARG B 4 5.730 -12.315 2.620 1.00 0.00 C ATOM 1098 C ARG B 4 4.286 -11.818 2.597 1.00 0.00 C ATOM 1099 O ARG B 4 3.461 -12.247 3.378 1.00 0.00 O ATOM 1100 CB ARG B 4 5.788 -13.757 2.097 1.00 0.00 C ATOM 1101 CG ARG B 4 7.240 -14.270 2.103 1.00 0.00 C ATOM 1102 CD ARG B 4 7.985 -13.776 0.855 1.00 0.00 C ATOM 1103 NE ARG B 4 7.324 -14.326 -0.368 1.00 0.00 N ATOM 1104 CZ ARG B 4 7.716 -15.464 -0.885 1.00 0.00 C ATOM 1105 NH1 ARG B 4 8.709 -16.129 -0.359 1.00 0.00 N ATOM 1106 NH2 ARG B 4 7.107 -15.939 -1.939 1.00 0.00 N ATOM 0 H ARG B 4 6.091 -13.140 4.552 1.00 0.00 H new ATOM 0 HA ARG B 4 6.345 -11.675 1.988 1.00 0.00 H new ATOM 0 HB2 ARG B 4 5.165 -14.401 2.717 1.00 0.00 H new ATOM 0 HB3 ARG B 4 5.384 -13.801 1.086 1.00 0.00 H new ATOM 0 HG2 ARG B 4 7.751 -13.924 3.001 1.00 0.00 H new ATOM 0 HG3 ARG B 4 7.248 -15.360 2.132 1.00 0.00 H new ATOM 0 HD2 ARG B 4 7.983 -12.686 0.824 1.00 0.00 H new ATOM 0 HD3 ARG B 4 9.028 -14.092 0.892 1.00 0.00 H new ATOM 0 HE ARG B 4 6.560 -13.810 -0.804 1.00 0.00 H new ATOM 0 HH11 ARG B 4 9.189 -15.763 0.464 1.00 0.00 H new ATOM 0 HH12 ARG B 4 9.005 -17.014 -0.771 1.00 0.00 H new ATOM 0 HH21 ARG B 4 6.331 -15.424 -2.355 1.00 0.00 H new ATOM 0 HH22 ARG B 4 7.408 -16.825 -2.346 1.00 0.00 H new ATOM 1120 N GLN B 5 3.972 -10.912 1.706 1.00 0.00 N ATOM 1121 CA GLN B 5 2.577 -10.384 1.631 1.00 0.00 C ATOM 1122 C GLN B 5 2.204 -10.106 0.177 1.00 0.00 C ATOM 1123 O GLN B 5 3.056 -9.932 -0.681 1.00 0.00 O ATOM 1124 CB GLN B 5 2.465 -9.078 2.427 1.00 0.00 C ATOM 1125 CG GLN B 5 2.568 -9.372 3.923 1.00 0.00 C ATOM 1126 CD GLN B 5 2.475 -8.066 4.714 1.00 0.00 C ATOM 1127 OE1 GLN B 5 2.290 -8.083 5.915 1.00 0.00 O ATOM 1128 NE2 GLN B 5 2.594 -6.926 4.090 1.00 0.00 N ATOM 0 H GLN B 5 4.622 -10.515 1.027 1.00 0.00 H new ATOM 0 HA GLN B 5 1.901 -11.129 2.051 1.00 0.00 H new ATOM 0 HB2 GLN B 5 3.255 -8.390 2.127 1.00 0.00 H new ATOM 0 HB3 GLN B 5 1.516 -8.588 2.208 1.00 0.00 H new ATOM 0 HG2 GLN B 5 1.769 -10.049 4.226 1.00 0.00 H new ATOM 0 HG3 GLN B 5 3.511 -9.874 4.141 1.00 0.00 H new ATOM 0 HE21 GLN B 5 2.749 -6.910 3.082 1.00 0.00 H new ATOM 0 HE22 GLN B 5 2.532 -6.051 4.610 1.00 0.00 H new ATOM 1137 N PHE B 6 0.925 -10.053 -0.093 1.00 0.00 N ATOM 1138 CA PHE B 6 0.436 -9.768 -1.472 1.00 0.00 C ATOM 1139 C PHE B 6 -0.142 -8.351 -1.472 1.00 0.00 C ATOM 1140 O PHE B 6 -1.117 -8.082 -0.800 1.00 0.00 O ATOM 1141 CB PHE B 6 -0.679 -10.757 -1.828 1.00 0.00 C ATOM 1142 CG PHE B 6 -0.237 -12.159 -1.491 1.00 0.00 C ATOM 1143 CD1 PHE B 6 -0.452 -12.657 -0.201 1.00 0.00 C ATOM 1144 CD2 PHE B 6 0.380 -12.961 -2.458 1.00 0.00 C ATOM 1145 CE1 PHE B 6 -0.050 -13.955 0.125 1.00 0.00 C ATOM 1146 CE2 PHE B 6 0.784 -14.262 -2.132 1.00 0.00 C ATOM 1147 CZ PHE B 6 0.570 -14.758 -0.839 1.00 0.00 C ATOM 0 H PHE B 6 0.188 -10.198 0.597 1.00 0.00 H new ATOM 0 HA PHE B 6 1.247 -9.861 -2.195 1.00 0.00 H new ATOM 0 HB2 PHE B 6 -1.588 -10.509 -1.279 1.00 0.00 H new ATOM 0 HB3 PHE B 6 -0.918 -10.685 -2.889 1.00 0.00 H new ATOM 0 HD1 PHE B 6 -0.929 -12.037 0.544 1.00 0.00 H new ATOM 0 HD2 PHE B 6 0.544 -12.577 -3.454 1.00 0.00 H new ATOM 0 HE1 PHE B 6 -0.218 -14.338 1.121 1.00 0.00 H new ATOM 0 HE2 PHE B 6 1.260 -14.882 -2.877 1.00 0.00 H new ATOM 0 HZ PHE B 6 0.884 -15.760 -0.586 1.00 0.00 H new ATOM 1157 N LEU B 7 0.454 -7.444 -2.202 1.00 0.00 N ATOM 1158 CA LEU B 7 -0.059 -6.034 -2.230 1.00 0.00 C ATOM 1159 C LEU B 7 -0.587 -5.724 -3.626 1.00 0.00 C ATOM 1160 O LEU B 7 0.094 -5.898 -4.613 1.00 0.00 O ATOM 1161 CB LEU B 7 1.093 -5.080 -1.886 1.00 0.00 C ATOM 1162 CG LEU B 7 0.558 -3.660 -1.577 1.00 0.00 C ATOM 1163 CD1 LEU B 7 1.589 -2.903 -0.733 1.00 0.00 C ATOM 1164 CD2 LEU B 7 0.295 -2.878 -2.880 1.00 0.00 C ATOM 0 H LEU B 7 1.275 -7.616 -2.782 1.00 0.00 H new ATOM 0 HA LEU B 7 -0.863 -5.910 -1.505 1.00 0.00 H new ATOM 0 HB2 LEU B 7 1.642 -5.462 -1.025 1.00 0.00 H new ATOM 0 HB3 LEU B 7 1.795 -5.036 -2.718 1.00 0.00 H new ATOM 0 HG LEU B 7 -0.380 -3.753 -1.030 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.216 -1.903 -0.514 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.760 -3.440 0.200 1.00 0.00 H new ATOM 0 HD13 LEU B 7 2.526 -2.828 -1.285 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.080 -1.884 -2.638 1.00 0.00 H new ATOM 0 HD22 LEU B 7 1.223 -2.788 -3.444 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.444 -3.409 -3.480 1.00 0.00 H new ATOM 1176 N SER B 8 -1.810 -5.261 -3.707 1.00 0.00 N ATOM 1177 CA SER B 8 -2.419 -4.927 -5.031 1.00 0.00 C ATOM 1178 C SER B 8 -3.074 -3.551 -4.949 1.00 0.00 C ATOM 1179 O SER B 8 -3.631 -3.181 -3.935 1.00 0.00 O ATOM 1180 CB SER B 8 -3.481 -5.975 -5.374 1.00 0.00 C ATOM 1181 OG SER B 8 -4.114 -5.626 -6.599 1.00 0.00 O ATOM 0 H SER B 8 -2.418 -5.099 -2.904 1.00 0.00 H new ATOM 0 HA SER B 8 -1.648 -4.920 -5.802 1.00 0.00 H new ATOM 0 HB2 SER B 8 -3.022 -6.960 -5.458 1.00 0.00 H new ATOM 0 HB3 SER B 8 -4.220 -6.035 -4.575 1.00 0.00 H new ATOM 0 HG SER B 8 -3.523 -5.041 -7.117 1.00 0.00 H new ATOM 1187 N LEU B 9 -3.007 -2.787 -6.012 1.00 0.00 N ATOM 1188 CA LEU B 9 -3.620 -1.423 -6.014 1.00 0.00 C ATOM 1189 C LEU B 9 -4.423 -1.235 -7.304 1.00 0.00 C ATOM 1190 O LEU B 9 -4.115 -1.814 -8.327 1.00 0.00 O ATOM 1191 CB LEU B 9 -2.514 -0.365 -5.929 1.00 0.00 C ATOM 1192 CG LEU B 9 -3.127 1.040 -5.825 1.00 0.00 C ATOM 1193 CD1 LEU B 9 -3.958 1.171 -4.532 1.00 0.00 C ATOM 1194 CD2 LEU B 9 -1.995 2.071 -5.822 1.00 0.00 C ATOM 0 H LEU B 9 -2.550 -3.053 -6.885 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.283 -1.315 -5.156 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.882 -0.559 -5.062 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.875 -0.426 -6.810 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.787 1.212 -6.675 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -4.385 2.172 -4.474 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -4.761 0.434 -4.539 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -3.316 1.000 -3.668 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -2.416 3.074 -5.749 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -1.340 1.889 -4.970 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -1.422 1.985 -6.745 1.00 0.00 H new ATOM 1206 N THR B 10 -5.462 -0.442 -7.249 1.00 0.00 N ATOM 1207 CA THR B 10 -6.321 -0.208 -8.454 1.00 0.00 C ATOM 1208 C THR B 10 -6.499 1.296 -8.665 1.00 0.00 C ATOM 1209 O THR B 10 -6.117 2.095 -7.838 1.00 0.00 O ATOM 1210 CB THR B 10 -7.690 -0.852 -8.217 1.00 0.00 C ATOM 1211 OG1 THR B 10 -8.488 0.015 -7.426 1.00 0.00 O ATOM 1212 CG2 THR B 10 -7.507 -2.186 -7.490 1.00 0.00 C ATOM 0 H THR B 10 -5.757 0.060 -6.412 1.00 0.00 H new ATOM 0 HA THR B 10 -5.852 -0.645 -9.336 1.00 0.00 H new ATOM 0 HB THR B 10 -8.182 -1.026 -9.174 1.00 0.00 H new ATOM 0 HG1 THR B 10 -9.409 0.007 -7.760 1.00 0.00 H new ATOM 0 HG21 THR B 10 -8.481 -2.645 -7.321 1.00 0.00 H new ATOM 0 HG22 THR B 10 -6.893 -2.851 -8.098 1.00 0.00 H new ATOM 0 HG23 THR B 10 -7.016 -2.014 -6.532 1.00 0.00 H new ATOM 1220 N GLY B 11 -7.071 1.692 -9.769 1.00 0.00 N ATOM 1221 CA GLY B 11 -7.271 3.149 -10.015 1.00 0.00 C ATOM 1222 C GLY B 11 -5.926 3.805 -10.332 1.00 0.00 C ATOM 1223 O GLY B 11 -5.824 5.009 -10.468 1.00 0.00 O ATOM 0 H GLY B 11 -7.407 1.074 -10.508 1.00 0.00 H new ATOM 0 HA2 GLY B 11 -7.963 3.297 -10.844 1.00 0.00 H new ATOM 0 HA3 GLY B 11 -7.718 3.618 -9.139 1.00 0.00 H new ATOM 1227 N VAL B 12 -4.892 3.020 -10.446 1.00 0.00 N ATOM 1228 CA VAL B 12 -3.551 3.591 -10.747 1.00 0.00 C ATOM 1229 C VAL B 12 -3.539 4.158 -12.169 1.00 0.00 C ATOM 1230 O VAL B 12 -4.019 3.539 -13.099 1.00 0.00 O ATOM 1231 CB VAL B 12 -2.494 2.493 -10.621 1.00 0.00 C ATOM 1232 CG1 VAL B 12 -2.675 1.467 -11.744 1.00 0.00 C ATOM 1233 CG2 VAL B 12 -1.103 3.120 -10.723 1.00 0.00 C ATOM 0 H VAL B 12 -4.918 2.006 -10.343 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.330 4.392 -10.041 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.603 1.993 -9.659 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -1.919 0.687 -11.650 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.667 1.021 -11.673 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.567 1.961 -12.709 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.345 2.341 -10.634 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.999 3.619 -11.686 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.972 3.847 -9.922 1.00 0.00 H new ATOM 1243 N SER B 13 -2.992 5.330 -12.346 1.00 0.00 N ATOM 1244 CA SER B 13 -2.952 5.931 -13.708 1.00 0.00 C ATOM 1245 C SER B 13 -1.923 5.187 -14.567 1.00 0.00 C ATOM 1246 O SER B 13 -2.187 4.834 -15.700 1.00 0.00 O ATOM 1247 CB SER B 13 -2.563 7.408 -13.599 1.00 0.00 C ATOM 1248 OG SER B 13 -2.946 8.083 -14.790 1.00 0.00 O ATOM 0 H SER B 13 -2.572 5.895 -11.608 1.00 0.00 H new ATOM 0 HA SER B 13 -3.934 5.848 -14.173 1.00 0.00 H new ATOM 0 HB2 SER B 13 -3.051 7.862 -12.737 1.00 0.00 H new ATOM 0 HB3 SER B 13 -1.488 7.503 -13.443 1.00 0.00 H new ATOM 0 HG SER B 13 -2.700 9.029 -14.723 1.00 0.00 H new ATOM 1254 N LYS B 14 -0.755 4.941 -14.037 1.00 0.00 N ATOM 1255 CA LYS B 14 0.282 4.214 -14.829 1.00 0.00 C ATOM 1256 C LYS B 14 1.473 3.879 -13.928 1.00 0.00 C ATOM 1257 O LYS B 14 1.655 4.470 -12.880 1.00 0.00 O ATOM 1258 CB LYS B 14 0.751 5.093 -15.999 1.00 0.00 C ATOM 1259 CG LYS B 14 1.278 6.454 -15.473 1.00 0.00 C ATOM 1260 CD LYS B 14 2.816 6.461 -15.439 1.00 0.00 C ATOM 1261 CE LYS B 14 3.372 6.772 -16.836 1.00 0.00 C ATOM 1262 NZ LYS B 14 4.860 6.805 -16.779 1.00 0.00 N ATOM 0 H LYS B 14 -0.474 5.210 -13.094 1.00 0.00 H new ATOM 0 HA LYS B 14 -0.145 3.291 -15.222 1.00 0.00 H new ATOM 0 HB2 LYS B 14 1.537 4.581 -16.555 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -0.074 5.258 -16.692 1.00 0.00 H new ATOM 0 HG2 LYS B 14 0.919 7.261 -16.112 1.00 0.00 H new ATOM 0 HG3 LYS B 14 0.886 6.641 -14.473 1.00 0.00 H new ATOM 0 HD2 LYS B 14 3.169 7.205 -14.725 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.185 5.493 -15.099 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.041 6.016 -17.548 1.00 0.00 H new ATOM 0 HE3 LYS B 14 2.989 7.730 -17.187 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 5.239 7.016 -17.724 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 5.166 7.542 -16.111 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 5.216 5.881 -16.461 1.00 0.00 H new ATOM 1276 N VAL B 15 2.287 2.933 -14.323 1.00 0.00 N ATOM 1277 CA VAL B 15 3.468 2.558 -13.489 1.00 0.00 C ATOM 1278 C VAL B 15 4.691 3.348 -13.963 1.00 0.00 C ATOM 1279 O VAL B 15 5.092 3.267 -15.107 1.00 0.00 O ATOM 1280 CB VAL B 15 3.737 1.059 -13.639 1.00 0.00 C ATOM 1281 CG1 VAL B 15 5.014 0.692 -12.879 1.00 0.00 C ATOM 1282 CG2 VAL B 15 2.555 0.269 -13.068 1.00 0.00 C ATOM 0 H VAL B 15 2.184 2.404 -15.189 1.00 0.00 H new ATOM 0 HA VAL B 15 3.269 2.788 -12.442 1.00 0.00 H new ATOM 0 HB VAL B 15 3.860 0.815 -14.694 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.207 -0.376 -12.985 1.00 0.00 H new ATOM 0 HG12 VAL B 15 5.854 1.254 -13.286 1.00 0.00 H new ATOM 0 HG13 VAL B 15 4.892 0.935 -11.824 1.00 0.00 H new ATOM 0 HG21 VAL B 15 2.746 -0.799 -13.174 1.00 0.00 H new ATOM 0 HG22 VAL B 15 2.431 0.512 -12.013 1.00 0.00 H new ATOM 0 HG23 VAL B 15 1.646 0.531 -13.610 1.00 0.00 H new ATOM 1292 N GLN B 16 5.284 4.113 -13.089 1.00 0.00 N ATOM 1293 CA GLN B 16 6.477 4.916 -13.483 1.00 0.00 C ATOM 1294 C GLN B 16 7.642 3.978 -13.804 1.00 0.00 C ATOM 1295 O GLN B 16 8.390 4.189 -14.739 1.00 0.00 O ATOM 1296 CB GLN B 16 6.864 5.839 -12.326 1.00 0.00 C ATOM 1297 CG GLN B 16 8.043 6.725 -12.731 1.00 0.00 C ATOM 1298 CD GLN B 16 8.381 7.664 -11.574 1.00 0.00 C ATOM 1299 OE1 GLN B 16 8.742 7.220 -10.501 1.00 0.00 O ATOM 1300 NE2 GLN B 16 8.274 8.954 -11.739 1.00 0.00 N ATOM 0 H GLN B 16 4.994 4.217 -12.117 1.00 0.00 H new ATOM 0 HA GLN B 16 6.244 5.513 -14.365 1.00 0.00 H new ATOM 0 HB2 GLN B 16 6.013 6.459 -12.045 1.00 0.00 H new ATOM 0 HB3 GLN B 16 7.129 5.246 -11.451 1.00 0.00 H new ATOM 0 HG2 GLN B 16 8.907 6.110 -12.981 1.00 0.00 H new ATOM 0 HG3 GLN B 16 7.793 7.301 -13.622 1.00 0.00 H new ATOM 0 HE21 GLN B 16 7.972 9.330 -12.638 1.00 0.00 H new ATOM 0 HE22 GLN B 16 8.493 9.586 -10.969 1.00 0.00 H new ATOM 1309 N SER B 17 7.796 2.941 -13.032 1.00 0.00 N ATOM 1310 CA SER B 17 8.905 1.980 -13.274 1.00 0.00 C ATOM 1311 C SER B 17 8.600 0.677 -12.537 1.00 0.00 C ATOM 1312 O SER B 17 7.953 0.679 -11.508 1.00 0.00 O ATOM 1313 CB SER B 17 10.215 2.568 -12.746 1.00 0.00 C ATOM 1314 OG SER B 17 11.271 1.640 -12.964 1.00 0.00 O ATOM 0 H SER B 17 7.197 2.716 -12.238 1.00 0.00 H new ATOM 0 HA SER B 17 9.001 1.788 -14.343 1.00 0.00 H new ATOM 0 HB2 SER B 17 10.433 3.509 -13.250 1.00 0.00 H new ATOM 0 HB3 SER B 17 10.125 2.790 -11.683 1.00 0.00 H new ATOM 0 HG SER B 17 12.111 2.016 -12.628 1.00 0.00 H new ATOM 1320 N PHE B 18 9.058 -0.436 -13.052 1.00 0.00 N ATOM 1321 CA PHE B 18 8.796 -1.745 -12.382 1.00 0.00 C ATOM 1322 C PHE B 18 10.076 -2.580 -12.376 1.00 0.00 C ATOM 1323 O PHE B 18 10.596 -2.942 -13.411 1.00 0.00 O ATOM 1324 CB PHE B 18 7.706 -2.500 -13.151 1.00 0.00 C ATOM 1325 CG PHE B 18 7.192 -3.644 -12.306 1.00 0.00 C ATOM 1326 CD1 PHE B 18 7.931 -4.828 -12.212 1.00 0.00 C ATOM 1327 CD2 PHE B 18 5.981 -3.517 -11.616 1.00 0.00 C ATOM 1328 CE1 PHE B 18 7.458 -5.888 -11.431 1.00 0.00 C ATOM 1329 CE2 PHE B 18 5.506 -4.578 -10.834 1.00 0.00 C ATOM 1330 CZ PHE B 18 6.247 -5.763 -10.740 1.00 0.00 C ATOM 0 H PHE B 18 9.604 -0.494 -13.911 1.00 0.00 H new ATOM 0 HA PHE B 18 8.469 -1.569 -11.357 1.00 0.00 H new ATOM 0 HB2 PHE B 18 6.889 -1.824 -13.402 1.00 0.00 H new ATOM 0 HB3 PHE B 18 8.106 -2.880 -14.091 1.00 0.00 H new ATOM 0 HD1 PHE B 18 8.867 -4.924 -12.742 1.00 0.00 H new ATOM 0 HD2 PHE B 18 5.413 -2.601 -11.686 1.00 0.00 H new ATOM 0 HE1 PHE B 18 8.027 -6.803 -11.361 1.00 0.00 H new ATOM 0 HE2 PHE B 18 4.570 -4.482 -10.304 1.00 0.00 H new ATOM 0 HZ PHE B 18 5.884 -6.580 -10.134 1.00 0.00 H new ATOM 1340 N ASP B 19 10.578 -2.896 -11.209 1.00 0.00 N ATOM 1341 CA ASP B 19 11.821 -3.722 -11.103 1.00 0.00 C ATOM 1342 C ASP B 19 11.570 -4.831 -10.074 1.00 0.00 C ATOM 1343 O ASP B 19 10.794 -4.652 -9.157 1.00 0.00 O ATOM 1344 CB ASP B 19 12.990 -2.830 -10.648 1.00 0.00 C ATOM 1345 CG ASP B 19 12.847 -1.443 -11.278 1.00 0.00 C ATOM 1346 OD1 ASP B 19 12.837 -1.367 -12.495 1.00 0.00 O ATOM 1347 OD2 ASP B 19 12.750 -0.482 -10.533 1.00 0.00 O ATOM 0 H ASP B 19 10.176 -2.614 -10.315 1.00 0.00 H new ATOM 0 HA ASP B 19 12.074 -4.162 -12.068 1.00 0.00 H new ATOM 0 HB2 ASP B 19 12.998 -2.749 -9.561 1.00 0.00 H new ATOM 0 HB3 ASP B 19 13.939 -3.278 -10.941 1.00 0.00 H new ATOM 1352 N PRO B 20 12.210 -5.966 -10.206 1.00 0.00 N ATOM 1353 CA PRO B 20 12.013 -7.087 -9.245 1.00 0.00 C ATOM 1354 C PRO B 20 12.556 -6.726 -7.859 1.00 0.00 C ATOM 1355 O PRO B 20 12.270 -7.388 -6.881 1.00 0.00 O ATOM 1356 CB PRO B 20 12.793 -8.260 -9.871 1.00 0.00 C ATOM 1357 CG PRO B 20 13.810 -7.618 -10.761 1.00 0.00 C ATOM 1358 CD PRO B 20 13.178 -6.314 -11.262 1.00 0.00 C ATOM 0 HA PRO B 20 10.961 -7.328 -9.090 1.00 0.00 H new ATOM 0 HB2 PRO B 20 13.269 -8.871 -9.104 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.132 -8.916 -10.437 1.00 0.00 H new ATOM 0 HG2 PRO B 20 14.733 -7.419 -10.217 1.00 0.00 H new ATOM 0 HG3 PRO B 20 14.066 -8.272 -11.595 1.00 0.00 H new ATOM 0 HD2 PRO B 20 13.925 -5.532 -11.394 1.00 0.00 H new ATOM 0 HD3 PRO B 20 12.687 -6.451 -12.226 1.00 0.00 H new ATOM 1366 N LYS B 21 13.333 -5.671 -7.776 1.00 0.00 N ATOM 1367 CA LYS B 21 13.902 -5.234 -6.461 1.00 0.00 C ATOM 1368 C LYS B 21 13.393 -3.828 -6.122 1.00 0.00 C ATOM 1369 O LYS B 21 13.770 -3.246 -5.124 1.00 0.00 O ATOM 1370 CB LYS B 21 15.427 -5.220 -6.557 1.00 0.00 C ATOM 1371 CG LYS B 21 15.930 -6.659 -6.693 1.00 0.00 C ATOM 1372 CD LYS B 21 17.448 -6.670 -6.916 1.00 0.00 C ATOM 1373 CE LYS B 21 18.181 -6.391 -5.599 1.00 0.00 C ATOM 1374 NZ LYS B 21 19.629 -6.684 -5.772 1.00 0.00 N ATOM 0 H LYS B 21 13.599 -5.089 -8.571 1.00 0.00 H new ATOM 0 HA LYS B 21 13.590 -5.925 -5.678 1.00 0.00 H new ATOM 0 HB2 LYS B 21 15.745 -4.627 -7.415 1.00 0.00 H new ATOM 0 HB3 LYS B 21 15.856 -4.753 -5.670 1.00 0.00 H new ATOM 0 HG2 LYS B 21 15.683 -7.225 -5.795 1.00 0.00 H new ATOM 0 HG3 LYS B 21 15.429 -7.150 -7.527 1.00 0.00 H new ATOM 0 HD2 LYS B 21 17.757 -7.636 -7.314 1.00 0.00 H new ATOM 0 HD3 LYS B 21 17.719 -5.918 -7.657 1.00 0.00 H new ATOM 0 HE2 LYS B 21 18.041 -5.351 -5.305 1.00 0.00 H new ATOM 0 HE3 LYS B 21 17.766 -7.007 -4.801 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 20.130 -6.496 -4.880 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 19.752 -7.683 -6.034 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 20.018 -6.078 -6.522 1.00 0.00 H new ATOM 1388 N GLU B 22 12.539 -3.279 -6.946 1.00 0.00 N ATOM 1389 CA GLU B 22 12.004 -1.912 -6.671 1.00 0.00 C ATOM 1390 C GLU B 22 10.855 -1.612 -7.636 1.00 0.00 C ATOM 1391 O GLU B 22 10.957 -1.846 -8.824 1.00 0.00 O ATOM 1392 CB GLU B 22 13.103 -0.868 -6.884 1.00 0.00 C ATOM 1393 CG GLU B 22 12.604 0.499 -6.401 1.00 0.00 C ATOM 1394 CD GLU B 22 13.664 1.565 -6.685 1.00 0.00 C ATOM 1395 OE1 GLU B 22 14.777 1.192 -7.015 1.00 0.00 O ATOM 1396 OE2 GLU B 22 13.339 2.736 -6.578 1.00 0.00 O ATOM 0 H GLU B 22 12.189 -3.718 -7.798 1.00 0.00 H new ATOM 0 HA GLU B 22 11.652 -1.872 -5.640 1.00 0.00 H new ATOM 0 HB2 GLU B 22 14.002 -1.153 -6.338 1.00 0.00 H new ATOM 0 HB3 GLU B 22 13.373 -0.817 -7.939 1.00 0.00 H new ATOM 0 HG2 GLU B 22 11.672 0.756 -6.905 1.00 0.00 H new ATOM 0 HG3 GLU B 22 12.389 0.462 -5.333 1.00 0.00 H new ATOM 1403 N ILE B 23 9.767 -1.081 -7.139 1.00 0.00 N ATOM 1404 CA ILE B 23 8.607 -0.744 -8.024 1.00 0.00 C ATOM 1405 C ILE B 23 8.126 0.671 -7.715 1.00 0.00 C ATOM 1406 O ILE B 23 7.876 1.021 -6.578 1.00 0.00 O ATOM 1407 CB ILE B 23 7.466 -1.738 -7.787 1.00 0.00 C ATOM 1408 CG1 ILE B 23 7.909 -3.129 -8.254 1.00 0.00 C ATOM 1409 CG2 ILE B 23 6.223 -1.298 -8.570 1.00 0.00 C ATOM 1410 CD1 ILE B 23 6.865 -4.167 -7.844 1.00 0.00 C ATOM 0 H ILE B 23 9.630 -0.864 -6.152 1.00 0.00 H new ATOM 0 HA ILE B 23 8.921 -0.802 -9.066 1.00 0.00 H new ATOM 0 HB ILE B 23 7.221 -1.769 -6.725 1.00 0.00 H new ATOM 0 HG12 ILE B 23 8.037 -3.136 -9.336 1.00 0.00 H new ATOM 0 HG13 ILE B 23 8.876 -3.379 -7.817 1.00 0.00 H new ATOM 0 HG21 ILE B 23 5.414 -2.008 -8.398 1.00 0.00 H new ATOM 0 HG22 ILE B 23 5.914 -0.308 -8.235 1.00 0.00 H new ATOM 0 HG23 ILE B 23 6.456 -1.265 -9.634 1.00 0.00 H new ATOM 0 HD11 ILE B 23 7.183 -5.155 -8.178 1.00 0.00 H new ATOM 0 HD12 ILE B 23 6.759 -4.167 -6.759 1.00 0.00 H new ATOM 0 HD13 ILE B 23 5.907 -3.920 -8.302 1.00 0.00 H new ATOM 1422 N LEU B 24 7.978 1.483 -8.733 1.00 0.00 N ATOM 1423 CA LEU B 24 7.491 2.881 -8.538 1.00 0.00 C ATOM 1424 C LEU B 24 6.107 2.989 -9.171 1.00 0.00 C ATOM 1425 O LEU B 24 5.916 2.652 -10.324 1.00 0.00 O ATOM 1426 CB LEU B 24 8.451 3.862 -9.221 1.00 0.00 C ATOM 1427 CG LEU B 24 9.872 3.663 -8.678 1.00 0.00 C ATOM 1428 CD1 LEU B 24 10.822 4.650 -9.364 1.00 0.00 C ATOM 1429 CD2 LEU B 24 9.892 3.891 -7.157 1.00 0.00 C ATOM 0 H LEU B 24 8.177 1.232 -9.701 1.00 0.00 H new ATOM 0 HA LEU B 24 7.443 3.123 -7.476 1.00 0.00 H new ATOM 0 HB2 LEU B 24 8.439 3.705 -10.300 1.00 0.00 H new ATOM 0 HB3 LEU B 24 8.125 4.887 -9.044 1.00 0.00 H new ATOM 0 HG LEU B 24 10.196 2.643 -8.885 1.00 0.00 H new ATOM 0 HD11 LEU B 24 11.832 4.510 -8.979 1.00 0.00 H new ATOM 0 HD12 LEU B 24 10.816 4.473 -10.440 1.00 0.00 H new ATOM 0 HD13 LEU B 24 10.495 5.670 -9.162 1.00 0.00 H new ATOM 0 HD21 LEU B 24 10.905 3.747 -6.781 1.00 0.00 H new ATOM 0 HD22 LEU B 24 9.564 4.907 -6.937 1.00 0.00 H new ATOM 0 HD23 LEU B 24 9.221 3.180 -6.674 1.00 0.00 H new ATOM 1441 N LEU B 25 5.132 3.431 -8.416 1.00 0.00 N ATOM 1442 CA LEU B 25 3.737 3.542 -8.949 1.00 0.00 C ATOM 1443 C LEU B 25 3.323 5.007 -9.034 1.00 0.00 C ATOM 1444 O LEU B 25 3.486 5.764 -8.096 1.00 0.00 O ATOM 1445 CB LEU B 25 2.784 2.820 -8.001 1.00 0.00 C ATOM 1446 CG LEU B 25 3.198 1.353 -7.856 1.00 0.00 C ATOM 1447 CD1 LEU B 25 2.267 0.674 -6.849 1.00 0.00 C ATOM 1448 CD2 LEU B 25 3.102 0.639 -9.217 1.00 0.00 C ATOM 0 H LEU B 25 5.243 3.722 -7.445 1.00 0.00 H new ATOM 0 HA LEU B 25 3.699 3.096 -9.943 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.791 3.306 -7.025 1.00 0.00 H new ATOM 0 HB3 LEU B 25 1.764 2.882 -8.381 1.00 0.00 H new ATOM 0 HG LEU B 25 4.228 1.297 -7.505 1.00 0.00 H new ATOM 0 HD11 LEU B 25 2.552 -0.372 -6.737 1.00 0.00 H new ATOM 0 HD12 LEU B 25 2.345 1.176 -5.885 1.00 0.00 H new ATOM 0 HD13 LEU B 25 1.239 0.733 -7.206 1.00 0.00 H new ATOM 0 HD21 LEU B 25 3.399 -0.404 -9.103 1.00 0.00 H new ATOM 0 HD22 LEU B 25 2.076 0.686 -9.581 1.00 0.00 H new ATOM 0 HD23 LEU B 25 3.764 1.128 -9.932 1.00 0.00 H new ATOM 1460 N GLU B 26 2.770 5.403 -10.149 1.00 0.00 N ATOM 1461 CA GLU B 26 2.312 6.812 -10.316 1.00 0.00 C ATOM 1462 C GLU B 26 0.785 6.814 -10.205 1.00 0.00 C ATOM 1463 O GLU B 26 0.083 6.445 -11.135 1.00 0.00 O ATOM 1464 CB GLU B 26 2.758 7.302 -11.695 1.00 0.00 C ATOM 1465 CG GLU B 26 2.620 8.824 -11.799 1.00 0.00 C ATOM 1466 CD GLU B 26 3.385 9.321 -13.029 1.00 0.00 C ATOM 1467 OE1 GLU B 26 4.386 8.708 -13.366 1.00 0.00 O ATOM 1468 OE2 GLU B 26 2.980 10.325 -13.590 1.00 0.00 O ATOM 0 H GLU B 26 2.615 4.804 -10.960 1.00 0.00 H new ATOM 0 HA GLU B 26 2.734 7.472 -9.558 1.00 0.00 H new ATOM 0 HB2 GLU B 26 3.794 7.013 -11.872 1.00 0.00 H new ATOM 0 HB3 GLU B 26 2.157 6.824 -12.468 1.00 0.00 H new ATOM 0 HG2 GLU B 26 1.568 9.101 -11.875 1.00 0.00 H new ATOM 0 HG3 GLU B 26 3.010 9.298 -10.898 1.00 0.00 H new ATOM 1475 N THR B 27 0.270 7.200 -9.058 1.00 0.00 N ATOM 1476 CA THR B 27 -1.211 7.203 -8.835 1.00 0.00 C ATOM 1477 C THR B 27 -1.742 8.639 -8.787 1.00 0.00 C ATOM 1478 O THR B 27 -1.059 9.547 -8.361 1.00 0.00 O ATOM 1479 CB THR B 27 -1.505 6.500 -7.500 1.00 0.00 C ATOM 1480 OG1 THR B 27 -2.789 6.883 -7.034 1.00 0.00 O ATOM 1481 CG2 THR B 27 -0.440 6.877 -6.462 1.00 0.00 C ATOM 0 H THR B 27 0.821 7.516 -8.260 1.00 0.00 H new ATOM 0 HA THR B 27 -1.704 6.681 -9.655 1.00 0.00 H new ATOM 0 HB THR B 27 -1.483 5.421 -7.651 1.00 0.00 H new ATOM 0 HG1 THR B 27 -2.976 6.433 -6.184 1.00 0.00 H new ATOM 0 HG21 THR B 27 -0.657 6.374 -5.519 1.00 0.00 H new ATOM 0 HG22 THR B 27 0.542 6.569 -6.820 1.00 0.00 H new ATOM 0 HG23 THR B 27 -0.448 7.956 -6.308 1.00 0.00 H new ATOM 1489 N ILE B 28 -2.968 8.830 -9.221 1.00 0.00 N ATOM 1490 CA ILE B 28 -3.607 10.187 -9.231 1.00 0.00 C ATOM 1491 C ILE B 28 -2.565 11.280 -9.522 1.00 0.00 C ATOM 1492 O ILE B 28 -2.379 11.673 -10.656 1.00 0.00 O ATOM 1493 CB ILE B 28 -4.268 10.450 -7.876 1.00 0.00 C ATOM 1494 CG1 ILE B 28 -5.156 9.268 -7.502 1.00 0.00 C ATOM 1495 CG2 ILE B 28 -5.141 11.700 -7.978 1.00 0.00 C ATOM 1496 CD1 ILE B 28 -5.751 9.489 -6.110 1.00 0.00 C ATOM 0 H ILE B 28 -3.565 8.084 -9.577 1.00 0.00 H new ATOM 0 HA ILE B 28 -4.360 10.212 -10.019 1.00 0.00 H new ATOM 0 HB ILE B 28 -3.496 10.588 -7.119 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -5.954 9.154 -8.235 1.00 0.00 H new ATOM 0 HG13 ILE B 28 -4.575 8.346 -7.517 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -5.615 11.892 -7.015 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -4.523 12.554 -8.255 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -5.909 11.547 -8.736 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -6.385 8.642 -5.847 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -4.946 9.581 -5.381 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -6.347 10.402 -6.110 1.00 0.00 H new ATOM 1508 N GLN B 29 -1.891 11.773 -8.508 1.00 0.00 N ATOM 1509 CA GLN B 29 -0.866 12.840 -8.719 1.00 0.00 C ATOM 1510 C GLN B 29 0.376 12.540 -7.871 1.00 0.00 C ATOM 1511 O GLN B 29 1.431 13.107 -8.079 1.00 0.00 O ATOM 1512 CB GLN B 29 -1.450 14.183 -8.277 1.00 0.00 C ATOM 1513 CG GLN B 29 -2.095 14.020 -6.897 1.00 0.00 C ATOM 1514 CD GLN B 29 -2.635 15.367 -6.420 1.00 0.00 C ATOM 1515 OE1 GLN B 29 -2.070 16.401 -6.718 1.00 0.00 O ATOM 1516 NE2 GLN B 29 -3.712 15.397 -5.687 1.00 0.00 N ATOM 0 H GLN B 29 -2.010 11.478 -7.539 1.00 0.00 H new ATOM 0 HA GLN B 29 -0.590 12.874 -9.773 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -0.666 14.939 -8.239 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -2.190 14.527 -9.000 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -2.903 13.290 -6.946 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -1.363 13.638 -6.185 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -4.184 14.528 -5.438 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -4.083 16.290 -5.362 1.00 0.00 H new ATOM 1525 N GLY B 30 0.259 11.667 -6.904 1.00 0.00 N ATOM 1526 CA GLY B 30 1.429 11.346 -6.033 1.00 0.00 C ATOM 1527 C GLY B 30 2.180 10.131 -6.580 1.00 0.00 C ATOM 1528 O GLY B 30 1.696 9.428 -7.446 1.00 0.00 O ATOM 0 H GLY B 30 -0.598 11.162 -6.680 1.00 0.00 H new ATOM 0 HA2 GLY B 30 2.099 12.204 -5.982 1.00 0.00 H new ATOM 0 HA3 GLY B 30 1.090 11.145 -5.017 1.00 0.00 H new ATOM 1532 N VAL B 31 3.359 9.883 -6.066 1.00 0.00 N ATOM 1533 CA VAL B 31 4.173 8.712 -6.518 1.00 0.00 C ATOM 1534 C VAL B 31 4.495 7.838 -5.302 1.00 0.00 C ATOM 1535 O VAL B 31 4.944 8.326 -4.284 1.00 0.00 O ATOM 1536 CB VAL B 31 5.483 9.215 -7.143 1.00 0.00 C ATOM 1537 CG1 VAL B 31 6.441 8.040 -7.367 1.00 0.00 C ATOM 1538 CG2 VAL B 31 5.191 9.894 -8.484 1.00 0.00 C ATOM 0 H VAL B 31 3.798 10.451 -5.342 1.00 0.00 H new ATOM 0 HA VAL B 31 3.617 8.134 -7.256 1.00 0.00 H new ATOM 0 HB VAL B 31 5.944 9.933 -6.465 1.00 0.00 H new ATOM 0 HG11 VAL B 31 7.367 8.405 -7.810 1.00 0.00 H new ATOM 0 HG12 VAL B 31 6.660 7.562 -6.412 1.00 0.00 H new ATOM 0 HG13 VAL B 31 5.978 7.316 -8.038 1.00 0.00 H new ATOM 0 HG21 VAL B 31 6.124 10.249 -8.923 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.721 9.179 -9.159 1.00 0.00 H new ATOM 0 HG23 VAL B 31 4.520 10.738 -8.326 1.00 0.00 H new ATOM 1548 N LEU B 32 4.281 6.550 -5.407 1.00 0.00 N ATOM 1549 CA LEU B 32 4.584 5.624 -4.267 1.00 0.00 C ATOM 1550 C LEU B 32 5.776 4.753 -4.642 1.00 0.00 C ATOM 1551 O LEU B 32 5.777 4.098 -5.664 1.00 0.00 O ATOM 1552 CB LEU B 32 3.359 4.737 -3.987 1.00 0.00 C ATOM 1553 CG LEU B 32 3.685 3.686 -2.910 1.00 0.00 C ATOM 1554 CD1 LEU B 32 4.181 4.372 -1.629 1.00 0.00 C ATOM 1555 CD2 LEU B 32 2.418 2.882 -2.603 1.00 0.00 C ATOM 0 H LEU B 32 3.906 6.095 -6.239 1.00 0.00 H new ATOM 0 HA LEU B 32 4.818 6.200 -3.372 1.00 0.00 H new ATOM 0 HB2 LEU B 32 2.523 5.355 -3.658 1.00 0.00 H new ATOM 0 HB3 LEU B 32 3.046 4.240 -4.905 1.00 0.00 H new ATOM 0 HG LEU B 32 4.469 3.024 -3.277 1.00 0.00 H new ATOM 0 HD11 LEU B 32 4.408 3.617 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU B 32 5.081 4.947 -1.849 1.00 0.00 H new ATOM 0 HD13 LEU B 32 3.407 5.040 -1.251 1.00 0.00 H new ATOM 0 HD21 LEU B 32 2.637 2.134 -1.841 1.00 0.00 H new ATOM 0 HD22 LEU B 32 1.640 3.553 -2.239 1.00 0.00 H new ATOM 0 HD23 LEU B 32 2.073 2.385 -3.510 1.00 0.00 H new ATOM 1567 N SER B 33 6.791 4.737 -3.813 1.00 0.00 N ATOM 1568 CA SER B 33 7.995 3.902 -4.100 1.00 0.00 C ATOM 1569 C SER B 33 7.997 2.698 -3.163 1.00 0.00 C ATOM 1570 O SER B 33 7.972 2.840 -1.953 1.00 0.00 O ATOM 1571 CB SER B 33 9.260 4.730 -3.871 1.00 0.00 C ATOM 1572 OG SER B 33 10.391 3.871 -3.910 1.00 0.00 O ATOM 0 H SER B 33 6.836 5.271 -2.945 1.00 0.00 H new ATOM 0 HA SER B 33 7.971 3.564 -5.136 1.00 0.00 H new ATOM 0 HB2 SER B 33 9.348 5.502 -4.635 1.00 0.00 H new ATOM 0 HB3 SER B 33 9.207 5.239 -2.909 1.00 0.00 H new ATOM 0 HG SER B 33 11.064 4.243 -4.518 1.00 0.00 H new ATOM 1578 N ILE B 34 8.023 1.514 -3.722 1.00 0.00 N ATOM 1579 CA ILE B 34 8.021 0.273 -2.890 1.00 0.00 C ATOM 1580 C ILE B 34 9.419 -0.349 -2.904 1.00 0.00 C ATOM 1581 O ILE B 34 10.008 -0.550 -3.949 1.00 0.00 O ATOM 1582 CB ILE B 34 7.010 -0.726 -3.467 1.00 0.00 C ATOM 1583 CG1 ILE B 34 5.604 -0.114 -3.413 1.00 0.00 C ATOM 1584 CG2 ILE B 34 7.035 -2.024 -2.650 1.00 0.00 C ATOM 1585 CD1 ILE B 34 4.627 -0.999 -4.188 1.00 0.00 C ATOM 0 H ILE B 34 8.046 1.353 -4.729 1.00 0.00 H new ATOM 0 HA ILE B 34 7.743 0.520 -1.865 1.00 0.00 H new ATOM 0 HB ILE B 34 7.274 -0.949 -4.501 1.00 0.00 H new ATOM 0 HG12 ILE B 34 5.279 -0.017 -2.377 1.00 0.00 H new ATOM 0 HG13 ILE B 34 5.617 0.889 -3.839 1.00 0.00 H new ATOM 0 HG21 ILE B 34 6.315 -2.729 -3.065 1.00 0.00 H new ATOM 0 HG22 ILE B 34 8.033 -2.460 -2.690 1.00 0.00 H new ATOM 0 HG23 ILE B 34 6.775 -1.807 -1.614 1.00 0.00 H new ATOM 0 HD11 ILE B 34 3.629 -0.562 -4.148 1.00 0.00 H new ATOM 0 HD12 ILE B 34 4.949 -1.073 -5.227 1.00 0.00 H new ATOM 0 HD13 ILE B 34 4.605 -1.994 -3.743 1.00 0.00 H new ATOM 1597 N LYS B 35 9.953 -0.651 -1.744 1.00 0.00 N ATOM 1598 CA LYS B 35 11.319 -1.259 -1.657 1.00 0.00 C ATOM 1599 C LYS B 35 11.240 -2.577 -0.882 1.00 0.00 C ATOM 1600 O LYS B 35 10.515 -2.695 0.090 1.00 0.00 O ATOM 1601 CB LYS B 35 12.252 -0.301 -0.913 1.00 0.00 C ATOM 1602 CG LYS B 35 12.488 0.956 -1.750 1.00 0.00 C ATOM 1603 CD LYS B 35 13.429 1.893 -0.992 1.00 0.00 C ATOM 1604 CE LYS B 35 13.744 3.111 -1.860 1.00 0.00 C ATOM 1605 NZ LYS B 35 12.474 3.682 -2.388 1.00 0.00 N ATOM 0 H LYS B 35 9.496 -0.500 -0.845 1.00 0.00 H new ATOM 0 HA LYS B 35 11.700 -1.443 -2.662 1.00 0.00 H new ATOM 0 HB2 LYS B 35 11.817 -0.031 0.049 1.00 0.00 H new ATOM 0 HB3 LYS B 35 13.202 -0.793 -0.706 1.00 0.00 H new ATOM 0 HG2 LYS B 35 12.920 0.690 -2.715 1.00 0.00 H new ATOM 0 HG3 LYS B 35 11.541 1.457 -1.952 1.00 0.00 H new ATOM 0 HD2 LYS B 35 12.968 2.209 -0.056 1.00 0.00 H new ATOM 0 HD3 LYS B 35 14.350 1.370 -0.733 1.00 0.00 H new ATOM 0 HE2 LYS B 35 14.277 3.860 -1.275 1.00 0.00 H new ATOM 0 HE3 LYS B 35 14.398 2.825 -2.684 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 12.644 4.650 -2.728 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 12.129 3.094 -3.174 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 11.761 3.701 -1.631 1.00 0.00 H new ATOM 1619 N GLY B 36 11.984 -3.566 -1.304 1.00 0.00 N ATOM 1620 CA GLY B 36 11.960 -4.877 -0.595 1.00 0.00 C ATOM 1621 C GLY B 36 12.654 -5.940 -1.454 1.00 0.00 C ATOM 1622 O GLY B 36 13.512 -5.635 -2.257 1.00 0.00 O ATOM 0 H GLY B 36 12.607 -3.521 -2.110 1.00 0.00 H new ATOM 0 HA2 GLY B 36 12.462 -4.790 0.369 1.00 0.00 H new ATOM 0 HA3 GLY B 36 10.931 -5.174 -0.393 1.00 0.00 H new ATOM 1626 N GLU B 37 12.284 -7.191 -1.283 1.00 0.00 N ATOM 1627 CA GLU B 37 12.913 -8.300 -2.076 1.00 0.00 C ATOM 1628 C GLU B 37 11.835 -9.050 -2.868 1.00 0.00 C ATOM 1629 O GLU B 37 10.694 -9.139 -2.460 1.00 0.00 O ATOM 1630 CB GLU B 37 13.614 -9.270 -1.111 1.00 0.00 C ATOM 1631 CG GLU B 37 13.893 -10.604 -1.815 1.00 0.00 C ATOM 1632 CD GLU B 37 14.967 -11.388 -1.062 1.00 0.00 C ATOM 1633 OE1 GLU B 37 16.034 -10.838 -0.848 1.00 0.00 O ATOM 1634 OE2 GLU B 37 14.706 -12.529 -0.721 1.00 0.00 O ATOM 0 H GLU B 37 11.568 -7.493 -0.623 1.00 0.00 H new ATOM 0 HA GLU B 37 13.640 -7.884 -2.774 1.00 0.00 H new ATOM 0 HB2 GLU B 37 14.549 -8.833 -0.759 1.00 0.00 H new ATOM 0 HB3 GLU B 37 12.990 -9.437 -0.233 1.00 0.00 H new ATOM 0 HG2 GLU B 37 12.977 -11.192 -1.871 1.00 0.00 H new ATOM 0 HG3 GLU B 37 14.218 -10.421 -2.839 1.00 0.00 H new ATOM 1641 N LYS B 38 12.202 -9.606 -3.994 1.00 0.00 N ATOM 1642 CA LYS B 38 11.216 -10.365 -4.813 1.00 0.00 C ATOM 1643 C LYS B 38 9.971 -9.514 -5.059 1.00 0.00 C ATOM 1644 O LYS B 38 8.879 -9.866 -4.670 1.00 0.00 O ATOM 1645 CB LYS B 38 10.832 -11.654 -4.078 1.00 0.00 C ATOM 1646 CG LYS B 38 11.965 -12.675 -4.210 1.00 0.00 C ATOM 1647 CD LYS B 38 11.630 -13.921 -3.389 1.00 0.00 C ATOM 1648 CE LYS B 38 12.770 -14.934 -3.516 1.00 0.00 C ATOM 1649 NZ LYS B 38 12.454 -16.147 -2.709 1.00 0.00 N ATOM 0 H LYS B 38 13.145 -9.566 -4.381 1.00 0.00 H new ATOM 0 HA LYS B 38 11.663 -10.615 -5.775 1.00 0.00 H new ATOM 0 HB2 LYS B 38 10.640 -11.442 -3.026 1.00 0.00 H new ATOM 0 HB3 LYS B 38 9.911 -12.062 -4.494 1.00 0.00 H new ATOM 0 HG2 LYS B 38 12.106 -12.944 -5.257 1.00 0.00 H new ATOM 0 HG3 LYS B 38 12.903 -12.240 -3.864 1.00 0.00 H new ATOM 0 HD2 LYS B 38 11.482 -13.652 -2.343 1.00 0.00 H new ATOM 0 HD3 LYS B 38 10.697 -14.361 -3.740 1.00 0.00 H new ATOM 0 HE2 LYS B 38 12.912 -15.207 -4.562 1.00 0.00 H new ATOM 0 HE3 LYS B 38 13.704 -14.490 -3.173 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 13.230 -16.834 -2.797 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 12.339 -15.880 -1.711 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 11.572 -16.575 -3.056 1.00 0.00 H new ATOM 1663 N LEU B 39 10.131 -8.399 -5.718 1.00 0.00 N ATOM 1664 CA LEU B 39 8.968 -7.513 -6.023 1.00 0.00 C ATOM 1665 C LEU B 39 8.428 -7.885 -7.406 1.00 0.00 C ATOM 1666 O LEU B 39 8.600 -7.157 -8.363 1.00 0.00 O ATOM 1667 CB LEU B 39 9.436 -6.048 -6.013 1.00 0.00 C ATOM 1668 CG LEU B 39 9.402 -5.496 -4.584 1.00 0.00 C ATOM 1669 CD1 LEU B 39 10.199 -6.415 -3.661 1.00 0.00 C ATOM 1670 CD2 LEU B 39 10.022 -4.098 -4.565 1.00 0.00 C ATOM 0 H LEU B 39 11.029 -8.059 -6.063 1.00 0.00 H new ATOM 0 HA LEU B 39 8.183 -7.638 -5.278 1.00 0.00 H new ATOM 0 HB2 LEU B 39 10.447 -5.978 -6.415 1.00 0.00 H new ATOM 0 HB3 LEU B 39 8.794 -5.448 -6.659 1.00 0.00 H new ATOM 0 HG LEU B 39 8.369 -5.444 -4.240 1.00 0.00 H new ATOM 0 HD11 LEU B 39 10.174 -6.021 -2.645 1.00 0.00 H new ATOM 0 HD12 LEU B 39 9.761 -7.413 -3.674 1.00 0.00 H new ATOM 0 HD13 LEU B 39 11.232 -6.468 -4.004 1.00 0.00 H new ATOM 0 HD21 LEU B 39 9.999 -3.703 -3.549 1.00 0.00 H new ATOM 0 HD22 LEU B 39 11.055 -4.153 -4.909 1.00 0.00 H new ATOM 0 HD23 LEU B 39 9.455 -3.440 -5.223 1.00 0.00 H new ATOM 1682 N GLY B 40 7.793 -9.027 -7.516 1.00 0.00 N ATOM 1683 CA GLY B 40 7.250 -9.477 -8.837 1.00 0.00 C ATOM 1684 C GLY B 40 5.723 -9.422 -8.826 1.00 0.00 C ATOM 1685 O GLY B 40 5.115 -8.817 -7.965 1.00 0.00 O ATOM 0 H GLY B 40 7.626 -9.671 -6.743 1.00 0.00 H new ATOM 0 HA2 GLY B 40 7.638 -8.842 -9.633 1.00 0.00 H new ATOM 0 HA3 GLY B 40 7.583 -10.493 -9.048 1.00 0.00 H new ATOM 1689 N LEU B 46 -1.634 -5.922 -16.320 1.00 0.00 N ATOM 1690 CA LEU B 46 -2.424 -4.713 -16.709 1.00 0.00 C ATOM 1691 C LEU B 46 -3.912 -5.063 -16.842 1.00 0.00 C ATOM 1692 O LEU B 46 -4.773 -4.304 -16.445 1.00 0.00 O ATOM 1693 CB LEU B 46 -1.898 -4.196 -18.054 1.00 0.00 C ATOM 1694 CG LEU B 46 -2.709 -2.978 -18.524 1.00 0.00 C ATOM 1695 CD1 LEU B 46 -2.669 -1.868 -17.462 1.00 0.00 C ATOM 1696 CD2 LEU B 46 -2.103 -2.465 -19.833 1.00 0.00 C ATOM 0 HA LEU B 46 -2.316 -3.948 -15.940 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -0.847 -3.924 -17.958 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -1.956 -4.988 -18.801 1.00 0.00 H new ATOM 0 HG LEU B 46 -3.748 -3.268 -18.679 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -3.248 -1.012 -17.809 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -3.095 -2.240 -16.530 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -1.636 -1.563 -17.293 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -2.667 -1.600 -20.181 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -1.065 -2.178 -19.665 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -2.145 -3.252 -20.586 1.00 0.00 H new ATOM 1708 N LYS B 47 -4.216 -6.194 -17.427 1.00 0.00 N ATOM 1709 CA LYS B 47 -5.638 -6.605 -17.625 1.00 0.00 C ATOM 1710 C LYS B 47 -6.479 -6.240 -16.400 1.00 0.00 C ATOM 1711 O LYS B 47 -5.990 -6.185 -15.291 1.00 0.00 O ATOM 1712 CB LYS B 47 -5.708 -8.114 -17.859 1.00 0.00 C ATOM 1713 CG LYS B 47 -7.142 -8.504 -18.217 1.00 0.00 C ATOM 1714 CD LYS B 47 -7.198 -9.995 -18.545 1.00 0.00 C ATOM 1715 CE LYS B 47 -8.630 -10.378 -18.916 1.00 0.00 C ATOM 1716 NZ LYS B 47 -8.678 -11.824 -19.265 1.00 0.00 N ATOM 0 H LYS B 47 -3.528 -6.859 -17.781 1.00 0.00 H new ATOM 0 HA LYS B 47 -6.035 -6.078 -18.493 1.00 0.00 H new ATOM 0 HB2 LYS B 47 -5.030 -8.401 -18.663 1.00 0.00 H new ATOM 0 HB3 LYS B 47 -5.386 -8.648 -16.965 1.00 0.00 H new ATOM 0 HG2 LYS B 47 -7.810 -8.278 -17.386 1.00 0.00 H new ATOM 0 HG3 LYS B 47 -7.487 -7.920 -19.070 1.00 0.00 H new ATOM 0 HD2 LYS B 47 -6.523 -10.223 -19.370 1.00 0.00 H new ATOM 0 HD3 LYS B 47 -6.863 -10.580 -17.688 1.00 0.00 H new ATOM 0 HE2 LYS B 47 -9.301 -10.171 -18.083 1.00 0.00 H new ATOM 0 HE3 LYS B 47 -8.973 -9.777 -19.758 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 -9.652 -12.088 -19.518 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 -8.049 -12.007 -20.072 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 -8.367 -12.389 -18.449 1.00 0.00 H new ATOM 1730 N ALA B 48 -7.741 -5.971 -16.606 1.00 0.00 N ATOM 1731 CA ALA B 48 -8.634 -5.587 -15.475 1.00 0.00 C ATOM 1732 C ALA B 48 -8.268 -4.178 -14.999 1.00 0.00 C ATOM 1733 O ALA B 48 -9.029 -3.528 -14.310 1.00 0.00 O ATOM 1734 CB ALA B 48 -8.482 -6.591 -14.320 1.00 0.00 C ATOM 0 H ALA B 48 -8.195 -6.001 -17.519 1.00 0.00 H new ATOM 0 HA ALA B 48 -9.671 -5.598 -15.811 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.138 -6.303 -13.499 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -8.752 -7.588 -14.667 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -7.448 -6.595 -13.975 1.00 0.00 H new ATOM 1740 N GLY B 49 -7.108 -3.701 -15.359 1.00 0.00 N ATOM 1741 CA GLY B 49 -6.701 -2.336 -14.924 1.00 0.00 C ATOM 1742 C GLY B 49 -6.214 -2.390 -13.475 1.00 0.00 C ATOM 1743 O GLY B 49 -6.001 -1.376 -12.841 1.00 0.00 O ATOM 0 H GLY B 49 -6.426 -4.196 -15.934 1.00 0.00 H new ATOM 0 HA2 GLY B 49 -5.910 -1.956 -15.571 1.00 0.00 H new ATOM 0 HA3 GLY B 49 -7.542 -1.648 -15.011 1.00 0.00 H new ATOM 1747 N GLN B 50 -6.033 -3.577 -12.953 1.00 0.00 N ATOM 1748 CA GLN B 50 -5.557 -3.736 -11.545 1.00 0.00 C ATOM 1749 C GLN B 50 -4.128 -4.273 -11.554 1.00 0.00 C ATOM 1750 O GLN B 50 -3.672 -4.830 -12.534 1.00 0.00 O ATOM 1751 CB GLN B 50 -6.466 -4.725 -10.811 1.00 0.00 C ATOM 1752 CG GLN B 50 -7.844 -4.096 -10.604 1.00 0.00 C ATOM 1753 CD GLN B 50 -8.763 -5.099 -9.903 1.00 0.00 C ATOM 1754 OE1 GLN B 50 -8.340 -6.179 -9.539 1.00 0.00 O ATOM 1755 NE2 GLN B 50 -10.012 -4.784 -9.696 1.00 0.00 N ATOM 0 H GLN B 50 -6.197 -4.453 -13.449 1.00 0.00 H new ATOM 0 HA GLN B 50 -5.583 -2.771 -11.038 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -6.558 -5.646 -11.386 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -6.028 -4.992 -9.849 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -7.755 -3.189 -10.006 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -8.271 -3.805 -11.564 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -10.367 -3.878 -10.001 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -10.634 -5.444 -9.229 1.00 0.00 H new ATOM 1764 N VAL B 51 -3.417 -4.104 -10.470 1.00 0.00 N ATOM 1765 CA VAL B 51 -2.006 -4.592 -10.391 1.00 0.00 C ATOM 1766 C VAL B 51 -1.809 -5.362 -9.083 1.00 0.00 C ATOM 1767 O VAL B 51 -2.339 -5.005 -8.048 1.00 0.00 O ATOM 1768 CB VAL B 51 -1.057 -3.385 -10.447 1.00 0.00 C ATOM 1769 CG1 VAL B 51 -1.545 -2.299 -9.482 1.00 0.00 C ATOM 1770 CG2 VAL B 51 0.364 -3.816 -10.055 1.00 0.00 C ATOM 0 H VAL B 51 -3.757 -3.643 -9.626 1.00 0.00 H new ATOM 0 HA VAL B 51 -1.790 -5.257 -11.227 1.00 0.00 H new ATOM 0 HB VAL B 51 -1.045 -2.991 -11.463 1.00 0.00 H new ATOM 0 HG11 VAL B 51 -0.870 -1.444 -9.524 1.00 0.00 H new ATOM 0 HG12 VAL B 51 -2.548 -1.983 -9.767 1.00 0.00 H new ATOM 0 HG13 VAL B 51 -1.565 -2.696 -8.467 1.00 0.00 H new ATOM 0 HG21 VAL B 51 1.030 -2.954 -10.097 1.00 0.00 H new ATOM 0 HG22 VAL B 51 0.356 -4.219 -9.042 1.00 0.00 H new ATOM 0 HG23 VAL B 51 0.716 -4.581 -10.747 1.00 0.00 H new ATOM 1780 N GLU B 52 -1.052 -6.425 -9.138 1.00 0.00 N ATOM 1781 CA GLU B 52 -0.789 -7.264 -7.928 1.00 0.00 C ATOM 1782 C GLU B 52 0.722 -7.323 -7.690 1.00 0.00 C ATOM 1783 O GLU B 52 1.508 -7.237 -8.612 1.00 0.00 O ATOM 1784 CB GLU B 52 -1.331 -8.675 -8.182 1.00 0.00 C ATOM 1785 CG GLU B 52 -2.863 -8.673 -8.054 1.00 0.00 C ATOM 1786 CD GLU B 52 -3.444 -9.906 -8.751 1.00 0.00 C ATOM 1787 OE1 GLU B 52 -3.292 -10.000 -9.958 1.00 0.00 O ATOM 1788 OE2 GLU B 52 -4.012 -10.739 -8.066 1.00 0.00 O ATOM 0 H GLU B 52 -0.595 -6.755 -9.988 1.00 0.00 H new ATOM 0 HA GLU B 52 -1.278 -6.838 -7.052 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -1.040 -9.013 -9.177 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -0.898 -9.375 -7.468 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -3.149 -8.670 -7.002 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -3.273 -7.766 -8.498 1.00 0.00 H new ATOM 1795 N VAL B 53 1.136 -7.451 -6.460 1.00 0.00 N ATOM 1796 CA VAL B 53 2.599 -7.503 -6.153 1.00 0.00 C ATOM 1797 C VAL B 53 2.852 -8.519 -5.040 1.00 0.00 C ATOM 1798 O VAL B 53 2.119 -8.590 -4.073 1.00 0.00 O ATOM 1799 CB VAL B 53 3.079 -6.123 -5.695 1.00 0.00 C ATOM 1800 CG1 VAL B 53 4.610 -6.091 -5.683 1.00 0.00 C ATOM 1801 CG2 VAL B 53 2.556 -5.054 -6.657 1.00 0.00 C ATOM 0 H VAL B 53 0.523 -7.522 -5.648 1.00 0.00 H new ATOM 0 HA VAL B 53 3.143 -7.799 -7.050 1.00 0.00 H new ATOM 0 HB VAL B 53 2.703 -5.925 -4.691 1.00 0.00 H new ATOM 0 HG11 VAL B 53 4.951 -5.108 -5.357 1.00 0.00 H new ATOM 0 HG12 VAL B 53 4.984 -6.851 -4.997 1.00 0.00 H new ATOM 0 HG13 VAL B 53 4.986 -6.291 -6.686 1.00 0.00 H new ATOM 0 HG21 VAL B 53 2.898 -4.072 -6.330 1.00 0.00 H new ATOM 0 HG22 VAL B 53 2.931 -5.253 -7.661 1.00 0.00 H new ATOM 0 HG23 VAL B 53 1.466 -5.074 -6.666 1.00 0.00 H new ATOM 1811 N GLU B 54 3.894 -9.303 -5.171 1.00 0.00 N ATOM 1812 CA GLU B 54 4.227 -10.320 -4.126 1.00 0.00 C ATOM 1813 C GLU B 54 5.686 -10.143 -3.707 1.00 0.00 C ATOM 1814 O GLU B 54 6.559 -9.938 -4.533 1.00 0.00 O ATOM 1815 CB GLU B 54 4.013 -11.735 -4.692 1.00 0.00 C ATOM 1816 CG GLU B 54 4.681 -12.775 -3.776 1.00 0.00 C ATOM 1817 CD GLU B 54 4.059 -14.155 -4.006 1.00 0.00 C ATOM 1818 OE1 GLU B 54 4.009 -14.580 -5.148 1.00 0.00 O ATOM 1819 OE2 GLU B 54 3.646 -14.762 -3.032 1.00 0.00 O ATOM 0 H GLU B 54 4.534 -9.281 -5.965 1.00 0.00 H new ATOM 0 HA GLU B 54 3.579 -10.185 -3.260 1.00 0.00 H new ATOM 0 HB2 GLU B 54 2.947 -11.944 -4.776 1.00 0.00 H new ATOM 0 HB3 GLU B 54 4.431 -11.801 -5.696 1.00 0.00 H new ATOM 0 HG2 GLU B 54 5.752 -12.812 -3.976 1.00 0.00 H new ATOM 0 HG3 GLU B 54 4.561 -12.483 -2.733 1.00 0.00 H new ATOM 1826 N GLY B 55 5.950 -10.224 -2.425 1.00 0.00 N ATOM 1827 CA GLY B 55 7.350 -10.065 -1.932 1.00 0.00 C ATOM 1828 C GLY B 55 7.337 -9.505 -0.508 1.00 0.00 C ATOM 1829 O GLY B 55 6.294 -9.221 0.051 1.00 0.00 O ATOM 0 H GLY B 55 5.254 -10.394 -1.699 1.00 0.00 H new ATOM 0 HA2 GLY B 55 7.863 -11.027 -1.950 1.00 0.00 H new ATOM 0 HA3 GLY B 55 7.904 -9.396 -2.591 1.00 0.00 H new ATOM 1833 N LEU B 56 8.498 -9.339 0.079 1.00 0.00 N ATOM 1834 CA LEU B 56 8.580 -8.783 1.464 1.00 0.00 C ATOM 1835 C LEU B 56 8.935 -7.296 1.382 1.00 0.00 C ATOM 1836 O LEU B 56 9.924 -6.920 0.789 1.00 0.00 O ATOM 1837 CB LEU B 56 9.662 -9.526 2.269 1.00 0.00 C ATOM 1838 CG LEU B 56 10.926 -9.767 1.414 1.00 0.00 C ATOM 1839 CD1 LEU B 56 12.182 -9.711 2.312 1.00 0.00 C ATOM 1840 CD2 LEU B 56 10.848 -11.150 0.733 1.00 0.00 C ATOM 0 H LEU B 56 9.397 -9.567 -0.346 1.00 0.00 H new ATOM 0 HA LEU B 56 7.620 -8.910 1.963 1.00 0.00 H new ATOM 0 HB2 LEU B 56 9.923 -8.946 3.154 1.00 0.00 H new ATOM 0 HB3 LEU B 56 9.268 -10.481 2.618 1.00 0.00 H new ATOM 0 HG LEU B 56 10.987 -8.992 0.650 1.00 0.00 H new ATOM 0 HD11 LEU B 56 13.071 -9.881 1.705 1.00 0.00 H new ATOM 0 HD12 LEU B 56 12.248 -8.731 2.785 1.00 0.00 H new ATOM 0 HD13 LEU B 56 12.114 -10.481 3.081 1.00 0.00 H new ATOM 0 HD21 LEU B 56 11.743 -11.311 0.132 1.00 0.00 H new ATOM 0 HD22 LEU B 56 10.777 -11.927 1.494 1.00 0.00 H new ATOM 0 HD23 LEU B 56 9.968 -11.190 0.091 1.00 0.00 H new ATOM 1852 N ILE B 57 8.135 -6.447 1.969 1.00 0.00 N ATOM 1853 CA ILE B 57 8.439 -4.986 1.919 1.00 0.00 C ATOM 1854 C ILE B 57 9.455 -4.652 3.019 1.00 0.00 C ATOM 1855 O ILE B 57 9.201 -4.845 4.190 1.00 0.00 O ATOM 1856 CB ILE B 57 7.132 -4.197 2.127 1.00 0.00 C ATOM 1857 CG1 ILE B 57 6.328 -4.191 0.817 1.00 0.00 C ATOM 1858 CG2 ILE B 57 7.432 -2.750 2.541 1.00 0.00 C ATOM 1859 CD1 ILE B 57 6.143 -5.623 0.313 1.00 0.00 C ATOM 0 H ILE B 57 7.288 -6.699 2.479 1.00 0.00 H new ATOM 0 HA ILE B 57 8.864 -4.715 0.953 1.00 0.00 H new ATOM 0 HB ILE B 57 6.557 -4.677 2.919 1.00 0.00 H new ATOM 0 HG12 ILE B 57 5.356 -3.725 0.979 1.00 0.00 H new ATOM 0 HG13 ILE B 57 6.846 -3.596 0.065 1.00 0.00 H new ATOM 0 HG21 ILE B 57 6.496 -2.210 2.683 1.00 0.00 H new ATOM 0 HG22 ILE B 57 7.997 -2.748 3.473 1.00 0.00 H new ATOM 0 HG23 ILE B 57 8.017 -2.262 1.761 1.00 0.00 H new ATOM 0 HD11 ILE B 57 5.572 -5.611 -0.616 1.00 0.00 H new ATOM 0 HD12 ILE B 57 7.119 -6.074 0.134 1.00 0.00 H new ATOM 0 HD13 ILE B 57 5.606 -6.206 1.061 1.00 0.00 H new ATOM 1871 N ASP B 58 10.607 -4.156 2.644 1.00 0.00 N ATOM 1872 CA ASP B 58 11.645 -3.816 3.664 1.00 0.00 C ATOM 1873 C ASP B 58 11.543 -2.331 4.021 1.00 0.00 C ATOM 1874 O ASP B 58 11.993 -1.901 5.066 1.00 0.00 O ATOM 1875 CB ASP B 58 13.034 -4.109 3.089 1.00 0.00 C ATOM 1876 CG ASP B 58 13.126 -5.595 2.738 1.00 0.00 C ATOM 1877 OD1 ASP B 58 12.401 -6.371 3.338 1.00 0.00 O ATOM 1878 OD2 ASP B 58 13.914 -5.932 1.869 1.00 0.00 O ATOM 0 H ASP B 58 10.873 -3.972 1.677 1.00 0.00 H new ATOM 0 HA ASP B 58 11.487 -4.415 4.561 1.00 0.00 H new ATOM 0 HB2 ASP B 58 13.210 -3.501 2.201 1.00 0.00 H new ATOM 0 HB3 ASP B 58 13.804 -3.845 3.814 1.00 0.00 H new ATOM 1883 N ALA B 59 10.958 -1.541 3.163 1.00 0.00 N ATOM 1884 CA ALA B 59 10.834 -0.088 3.464 1.00 0.00 C ATOM 1885 C ALA B 59 9.912 0.577 2.439 1.00 0.00 C ATOM 1886 O ALA B 59 9.783 0.128 1.317 1.00 0.00 O ATOM 1887 CB ALA B 59 12.218 0.565 3.401 1.00 0.00 C ATOM 0 H ALA B 59 10.562 -1.837 2.271 1.00 0.00 H new ATOM 0 HA ALA B 59 10.414 0.038 4.462 1.00 0.00 H new ATOM 0 HB1 ALA B 59 12.129 1.629 3.621 1.00 0.00 H new ATOM 0 HB2 ALA B 59 12.875 0.097 4.134 1.00 0.00 H new ATOM 0 HB3 ALA B 59 12.637 0.435 2.403 1.00 0.00 H new ATOM 1893 N LEU B 60 9.276 1.659 2.822 1.00 0.00 N ATOM 1894 CA LEU B 60 8.366 2.388 1.887 1.00 0.00 C ATOM 1895 C LEU B 60 8.663 3.879 1.977 1.00 0.00 C ATOM 1896 O LEU B 60 8.847 4.421 3.050 1.00 0.00 O ATOM 1897 CB LEU B 60 6.905 2.147 2.273 1.00 0.00 C ATOM 1898 CG LEU B 60 6.538 0.677 2.056 1.00 0.00 C ATOM 1899 CD1 LEU B 60 5.119 0.430 2.578 1.00 0.00 C ATOM 1900 CD2 LEU B 60 6.621 0.318 0.559 1.00 0.00 C ATOM 0 H LEU B 60 9.351 2.071 3.752 1.00 0.00 H new ATOM 0 HA LEU B 60 8.529 2.026 0.872 1.00 0.00 H new ATOM 0 HB2 LEU B 60 6.747 2.419 3.317 1.00 0.00 H new ATOM 0 HB3 LEU B 60 6.253 2.784 1.676 1.00 0.00 H new ATOM 0 HG LEU B 60 7.242 0.047 2.600 1.00 0.00 H new ATOM 0 HD11 LEU B 60 4.852 -0.616 2.426 1.00 0.00 H new ATOM 0 HD12 LEU B 60 5.077 0.664 3.642 1.00 0.00 H new ATOM 0 HD13 LEU B 60 4.417 1.066 2.038 1.00 0.00 H new ATOM 0 HD21 LEU B 60 6.357 -0.731 0.421 1.00 0.00 H new ATOM 0 HD22 LEU B 60 5.928 0.943 -0.004 1.00 0.00 H new ATOM 0 HD23 LEU B 60 7.636 0.487 0.200 1.00 0.00 H new ATOM 1912 N VAL B 61 8.722 4.546 0.855 1.00 0.00 N ATOM 1913 CA VAL B 61 9.018 6.012 0.857 1.00 0.00 C ATOM 1914 C VAL B 61 8.014 6.738 -0.051 1.00 0.00 C ATOM 1915 O VAL B 61 7.895 6.427 -1.224 1.00 0.00 O ATOM 1916 CB VAL B 61 10.432 6.216 0.296 1.00 0.00 C ATOM 1917 CG1 VAL B 61 10.694 7.707 0.064 1.00 0.00 C ATOM 1918 CG2 VAL B 61 11.463 5.659 1.284 1.00 0.00 C ATOM 0 H VAL B 61 8.577 4.138 -0.068 1.00 0.00 H new ATOM 0 HA VAL B 61 8.944 6.408 1.870 1.00 0.00 H new ATOM 0 HB VAL B 61 10.518 5.688 -0.654 1.00 0.00 H new ATOM 0 HG11 VAL B 61 11.700 7.842 -0.334 1.00 0.00 H new ATOM 0 HG12 VAL B 61 9.967 8.098 -0.647 1.00 0.00 H new ATOM 0 HG13 VAL B 61 10.602 8.244 1.008 1.00 0.00 H new ATOM 0 HG21 VAL B 61 12.466 5.805 0.884 1.00 0.00 H new ATOM 0 HG22 VAL B 61 11.373 6.181 2.237 1.00 0.00 H new ATOM 0 HG23 VAL B 61 11.284 4.594 1.435 1.00 0.00 H new ATOM 1928 N TYR B 62 7.319 7.723 0.467 1.00 0.00 N ATOM 1929 CA TYR B 62 6.352 8.502 -0.368 1.00 0.00 C ATOM 1930 C TYR B 62 6.602 10.002 -0.094 1.00 0.00 C ATOM 1931 O TYR B 62 6.843 10.379 1.033 1.00 0.00 O ATOM 1932 CB TYR B 62 4.922 8.135 0.030 1.00 0.00 C ATOM 1933 CG TYR B 62 3.947 9.016 -0.716 1.00 0.00 C ATOM 1934 CD1 TYR B 62 3.718 10.315 -0.276 1.00 0.00 C ATOM 1935 CD2 TYR B 62 3.263 8.525 -1.832 1.00 0.00 C ATOM 1936 CE1 TYR B 62 2.807 11.136 -0.952 1.00 0.00 C ATOM 1937 CE2 TYR B 62 2.353 9.340 -2.510 1.00 0.00 C ATOM 1938 CZ TYR B 62 2.126 10.648 -2.069 1.00 0.00 C ATOM 1939 OH TYR B 62 1.228 11.454 -2.735 1.00 0.00 O ATOM 0 H TYR B 62 7.381 8.022 1.440 1.00 0.00 H new ATOM 0 HA TYR B 62 6.487 8.279 -1.426 1.00 0.00 H new ATOM 0 HB2 TYR B 62 4.728 7.087 -0.197 1.00 0.00 H new ATOM 0 HB3 TYR B 62 4.790 8.258 1.105 1.00 0.00 H new ATOM 0 HD1 TYR B 62 4.244 10.692 0.589 1.00 0.00 H new ATOM 0 HD2 TYR B 62 3.438 7.514 -2.170 1.00 0.00 H new ATOM 0 HE1 TYR B 62 2.631 12.145 -0.610 1.00 0.00 H new ATOM 0 HE2 TYR B 62 1.826 8.961 -3.373 1.00 0.00 H new ATOM 0 HH TYR B 62 1.504 12.391 -2.650 1.00 0.00 H new ATOM 1949 N PRO B 63 6.562 10.859 -1.096 1.00 0.00 N ATOM 1950 CA PRO B 63 6.815 12.324 -0.900 1.00 0.00 C ATOM 1951 C PRO B 63 6.114 12.956 0.318 1.00 0.00 C ATOM 1952 O PRO B 63 6.769 13.429 1.226 1.00 0.00 O ATOM 1953 CB PRO B 63 6.259 12.963 -2.183 1.00 0.00 C ATOM 1954 CG PRO B 63 6.375 11.904 -3.237 1.00 0.00 C ATOM 1955 CD PRO B 63 6.292 10.546 -2.520 1.00 0.00 C ATOM 0 HA PRO B 63 7.876 12.487 -0.712 1.00 0.00 H new ATOM 0 HB2 PRO B 63 5.223 13.273 -2.050 1.00 0.00 H new ATOM 0 HB3 PRO B 63 6.826 13.853 -2.456 1.00 0.00 H new ATOM 0 HG2 PRO B 63 5.576 12.002 -3.972 1.00 0.00 H new ATOM 0 HG3 PRO B 63 7.317 11.998 -3.777 1.00 0.00 H new ATOM 0 HD2 PRO B 63 5.310 10.090 -2.647 1.00 0.00 H new ATOM 0 HD3 PRO B 63 7.024 9.842 -2.917 1.00 0.00 H new ATOM 1963 N LEU B 64 4.795 13.003 0.307 1.00 0.00 N ATOM 1964 CA LEU B 64 4.006 13.647 1.400 1.00 0.00 C ATOM 1965 C LEU B 64 4.805 14.762 2.067 1.00 0.00 C ATOM 1966 O LEU B 64 5.527 14.546 3.019 1.00 0.00 O ATOM 1967 CB LEU B 64 3.552 12.602 2.420 1.00 0.00 C ATOM 1968 CG LEU B 64 2.770 13.233 3.605 1.00 0.00 C ATOM 1969 CD1 LEU B 64 3.715 13.717 4.727 1.00 0.00 C ATOM 1970 CD2 LEU B 64 1.882 14.410 3.144 1.00 0.00 C ATOM 0 H LEU B 64 4.224 12.608 -0.440 1.00 0.00 H new ATOM 0 HA LEU B 64 3.116 14.099 0.961 1.00 0.00 H new ATOM 0 HB2 LEU B 64 2.922 11.864 1.924 1.00 0.00 H new ATOM 0 HB3 LEU B 64 4.423 12.071 2.804 1.00 0.00 H new ATOM 0 HG LEU B 64 2.132 12.443 4.000 1.00 0.00 H new ATOM 0 HD11 LEU B 64 3.127 14.151 5.536 1.00 0.00 H new ATOM 0 HD12 LEU B 64 4.289 12.873 5.109 1.00 0.00 H new ATOM 0 HD13 LEU B 64 4.397 14.469 4.329 1.00 0.00 H new ATOM 0 HD21 LEU B 64 1.352 14.824 4.002 1.00 0.00 H new ATOM 0 HD22 LEU B 64 2.506 15.183 2.696 1.00 0.00 H new ATOM 0 HD23 LEU B 64 1.160 14.055 2.408 1.00 0.00 H new ATOM 1982 N GLU B 65 4.674 15.952 1.545 1.00 0.00 N ATOM 1983 CA GLU B 65 5.405 17.127 2.102 1.00 0.00 C ATOM 1984 C GLU B 65 4.486 18.353 2.084 1.00 0.00 C ATOM 1985 O GLU B 65 3.723 18.556 1.160 1.00 0.00 O ATOM 1986 CB GLU B 65 6.645 17.381 1.238 1.00 0.00 C ATOM 1987 CG GLU B 65 7.787 16.419 1.656 1.00 0.00 C ATOM 1988 CD GLU B 65 8.498 15.863 0.417 1.00 0.00 C ATOM 1989 OE1 GLU B 65 7.959 14.949 -0.182 1.00 0.00 O ATOM 1990 OE2 GLU B 65 9.561 16.362 0.094 1.00 0.00 O ATOM 0 H GLU B 65 4.081 16.163 0.742 1.00 0.00 H new ATOM 0 HA GLU B 65 5.709 16.934 3.131 1.00 0.00 H new ATOM 0 HB2 GLU B 65 6.402 17.235 0.186 1.00 0.00 H new ATOM 0 HB3 GLU B 65 6.970 18.415 1.349 1.00 0.00 H new ATOM 0 HG2 GLU B 65 8.502 16.946 2.288 1.00 0.00 H new ATOM 0 HG3 GLU B 65 7.382 15.599 2.249 1.00 0.00 H new ATOM 1997 N HIS B 66 4.552 19.167 3.101 1.00 0.00 N ATOM 1998 CA HIS B 66 3.681 20.374 3.152 1.00 0.00 C ATOM 1999 C HIS B 66 3.964 21.269 1.940 1.00 0.00 C ATOM 2000 O HIS B 66 3.064 21.802 1.319 1.00 0.00 O ATOM 2001 CB HIS B 66 3.966 21.148 4.445 1.00 0.00 C ATOM 2002 CG HIS B 66 5.453 21.216 4.676 1.00 0.00 C ATOM 2003 ND1 HIS B 66 6.316 21.807 3.763 1.00 0.00 N ATOM 2004 CD2 HIS B 66 6.245 20.773 5.708 1.00 0.00 C ATOM 2005 CE1 HIS B 66 7.564 21.703 4.255 1.00 0.00 C ATOM 2006 NE2 HIS B 66 7.574 21.081 5.436 1.00 0.00 N ATOM 0 H HIS B 66 5.173 19.048 3.901 1.00 0.00 H new ATOM 0 HA HIS B 66 2.635 20.069 3.132 1.00 0.00 H new ATOM 0 HB2 HIS B 66 3.552 22.154 4.377 1.00 0.00 H new ATOM 0 HB3 HIS B 66 3.479 20.659 5.288 1.00 0.00 H new ATOM 0 HD2 HIS B 66 5.891 20.265 6.593 1.00 0.00 H new ATOM 0 HE1 HIS B 66 8.447 22.076 3.757 1.00 0.00 H new ATOM 0 HE2 HIS B 66 8.386 20.875 6.017 1.00 0.00 H new ATOM 2014 N HIS B 67 5.211 21.443 1.608 1.00 0.00 N ATOM 2015 CA HIS B 67 5.575 22.303 0.446 1.00 0.00 C ATOM 2016 C HIS B 67 7.078 22.170 0.188 1.00 0.00 C ATOM 2017 O HIS B 67 7.847 21.880 1.082 1.00 0.00 O ATOM 2018 CB HIS B 67 5.208 23.773 0.760 1.00 0.00 C ATOM 2019 CG HIS B 67 3.858 24.104 0.177 1.00 0.00 C ATOM 2020 ND1 HIS B 67 2.869 24.749 0.907 1.00 0.00 N ATOM 2021 CD2 HIS B 67 3.325 23.890 -1.070 1.00 0.00 C ATOM 2022 CE1 HIS B 67 1.802 24.898 0.099 1.00 0.00 C ATOM 2023 NE2 HIS B 67 2.029 24.392 -1.114 1.00 0.00 N ATOM 0 H HIS B 67 6.002 21.023 2.096 1.00 0.00 H new ATOM 0 HA HIS B 67 5.028 21.990 -0.443 1.00 0.00 H new ATOM 0 HB2 HIS B 67 5.196 23.931 1.838 1.00 0.00 H new ATOM 0 HB3 HIS B 67 5.965 24.441 0.348 1.00 0.00 H new ATOM 0 HD2 HIS B 67 3.834 23.406 -1.891 1.00 0.00 H new ATOM 0 HE1 HIS B 67 0.877 25.369 0.396 1.00 0.00 H new ATOM 0 HE2 HIS B 67 1.387 24.377 -1.907 1.00 0.00 H new ATOM 2031 N HIS B 68 7.505 22.366 -1.033 1.00 0.00 N ATOM 2032 CA HIS B 68 8.959 22.240 -1.351 1.00 0.00 C ATOM 2033 C HIS B 68 9.356 23.291 -2.392 1.00 0.00 C ATOM 2034 O HIS B 68 8.532 24.005 -2.926 1.00 0.00 O ATOM 2035 CB HIS B 68 9.239 20.812 -1.897 1.00 0.00 C ATOM 2036 CG HIS B 68 10.311 20.136 -1.083 1.00 0.00 C ATOM 2037 ND1 HIS B 68 10.288 18.776 -0.812 1.00 0.00 N ATOM 2038 CD2 HIS B 68 11.444 20.619 -0.478 1.00 0.00 C ATOM 2039 CE1 HIS B 68 11.376 18.490 -0.074 1.00 0.00 C ATOM 2040 NE2 HIS B 68 12.111 19.579 0.156 1.00 0.00 N ATOM 0 H HIS B 68 6.909 22.608 -1.824 1.00 0.00 H new ATOM 0 HA HIS B 68 9.548 22.403 -0.449 1.00 0.00 H new ATOM 0 HB2 HIS B 68 8.324 20.220 -1.868 1.00 0.00 H new ATOM 0 HB3 HIS B 68 9.549 20.870 -2.941 1.00 0.00 H new ATOM 0 HD1 HIS B 68 9.575 18.113 -1.117 1.00 0.00 H new ATOM 0 HD2 HIS B 68 11.767 21.649 -0.493 1.00 0.00 H new ATOM 0 HE1 HIS B 68 11.623 17.503 0.287 1.00 0.00 H new ATOM 2048 N HIS B 69 10.624 23.373 -2.684 1.00 0.00 N ATOM 2049 CA HIS B 69 11.105 24.354 -3.690 1.00 0.00 C ATOM 2050 C HIS B 69 10.880 23.771 -5.088 1.00 0.00 C ATOM 2051 O HIS B 69 11.430 24.238 -6.068 1.00 0.00 O ATOM 2052 CB HIS B 69 12.600 24.619 -3.464 1.00 0.00 C ATOM 2053 CG HIS B 69 13.404 23.408 -3.861 1.00 0.00 C ATOM 2054 ND1 HIS B 69 14.366 23.456 -4.861 1.00 0.00 N ATOM 2055 CD2 HIS B 69 13.394 22.110 -3.411 1.00 0.00 C ATOM 2056 CE1 HIS B 69 14.892 22.222 -4.977 1.00 0.00 C ATOM 2057 NE2 HIS B 69 14.335 21.367 -4.118 1.00 0.00 N ATOM 0 H HIS B 69 11.352 22.796 -2.264 1.00 0.00 H new ATOM 0 HA HIS B 69 10.561 25.294 -3.594 1.00 0.00 H new ATOM 0 HB2 HIS B 69 12.917 25.483 -4.048 1.00 0.00 H new ATOM 0 HB3 HIS B 69 12.781 24.858 -2.416 1.00 0.00 H new ATOM 0 HD2 HIS B 69 12.755 21.726 -2.630 1.00 0.00 H new ATOM 0 HE1 HIS B 69 15.669 21.957 -5.679 1.00 0.00 H new ATOM 0 HE2 HIS B 69 14.553 20.377 -4.003 1.00 0.00 H new ATOM 2065 N HIS B 70 10.082 22.744 -5.177 1.00 0.00 N ATOM 2066 CA HIS B 70 9.824 22.111 -6.498 1.00 0.00 C ATOM 2067 C HIS B 70 9.259 23.152 -7.461 1.00 0.00 C ATOM 2068 O HIS B 70 8.482 24.006 -7.087 1.00 0.00 O ATOM 2069 CB HIS B 70 8.828 20.959 -6.334 1.00 0.00 C ATOM 2070 CG HIS B 70 7.504 21.491 -5.855 1.00 0.00 C ATOM 2071 ND1 HIS B 70 7.085 21.364 -4.537 1.00 0.00 N ATOM 2072 CD2 HIS B 70 6.489 22.147 -6.508 1.00 0.00 C ATOM 2073 CE1 HIS B 70 5.868 21.930 -4.441 1.00 0.00 C ATOM 2074 NE2 HIS B 70 5.462 22.421 -5.613 1.00 0.00 N ATOM 0 H HIS B 70 9.597 22.315 -4.389 1.00 0.00 H new ATOM 0 HA HIS B 70 10.758 21.719 -6.900 1.00 0.00 H new ATOM 0 HB2 HIS B 70 8.699 20.440 -7.284 1.00 0.00 H new ATOM 0 HB3 HIS B 70 9.216 20.230 -5.623 1.00 0.00 H new ATOM 0 HD2 HIS B 70 6.489 22.409 -7.556 1.00 0.00 H new ATOM 0 HE1 HIS B 70 5.292 21.980 -3.529 1.00 0.00 H new ATOM 0 HE2 HIS B 70 4.582 22.898 -5.811 1.00 0.00 H new ATOM 2082 N HIS B 71 9.656 23.087 -8.701 1.00 0.00 N ATOM 2083 CA HIS B 71 9.158 24.072 -9.702 1.00 0.00 C ATOM 2084 C HIS B 71 7.625 24.058 -9.708 1.00 0.00 C ATOM 2085 O HIS B 71 7.041 25.008 -9.215 1.00 0.00 O ATOM 2086 CB HIS B 71 9.700 23.689 -11.092 1.00 0.00 C ATOM 2087 CG HIS B 71 9.776 24.902 -11.986 1.00 0.00 C ATOM 2088 ND1 HIS B 71 9.966 26.184 -11.489 1.00 0.00 N ATOM 2089 CD2 HIS B 71 9.714 25.036 -13.352 1.00 0.00 C ATOM 2090 CE1 HIS B 71 10.013 27.024 -12.540 1.00 0.00 C ATOM 2091 NE2 HIS B 71 9.865 26.374 -13.695 1.00 0.00 N ATOM 2092 OXT HIS B 71 7.064 23.093 -10.202 1.00 0.00 O ATOM 0 H HIS B 71 10.307 22.391 -9.066 1.00 0.00 H new ATOM 0 HA HIS B 71 9.500 25.075 -9.446 1.00 0.00 H new ATOM 0 HB2 HIS B 71 10.689 23.242 -10.992 1.00 0.00 H new ATOM 0 HB3 HIS B 71 9.055 22.937 -11.545 1.00 0.00 H new ATOM 0 HD2 HIS B 71 9.570 24.226 -14.052 1.00 0.00 H new ATOM 0 HE1 HIS B 71 10.153 28.092 -12.458 1.00 0.00 H new ATOM 0 HE2 HIS B 71 9.863 26.775 -14.633 1.00 0.00 H new TER 2100 HIS B 71