USER MOD reduce.3.24.130724 H: found=0, std=0, add=1066, rem=0, adj=20 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: A 27 THR OG1 : rot 60:sc= -1! USER MOD Set 1.2: B 5 GLN : amide:sc= -0.657! K(o=-1.7!,f=1.3) USER MOD Set 2.1: A 29 GLN : amide:sc= -5.58! C(o=-5.6!,f=-8.2!) USER MOD Set 2.2: A 62 TYR OH : rot -50:sc= -0.0344 USER MOD Set 3.1: A 5 GLN : amide:sc= -3.38! C(o=-4.1!,f=-0.47!) USER MOD Set 3.2: B 27 THR OG1 : rot 111:sc= -0.759 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -131:sc= -3.4! (180deg=-3.71!) USER MOD Single : A 3 ASN : amide:sc= -4.02! K(o=-4!,f=-1.9) USER MOD Single : A 8 SER OG : rot 31:sc= 0.479 USER MOD Single : A 10 THR OG1 : rot -22:sc= 0.78 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -112:sc= -0.0152 (180deg=-0.532) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.688 K(o=-0.69,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -3.8! C(o=-3.8!,f=-6.4!) USER MOD Single : A 67 HIS : no HD1:sc= 0.27 K(o=0.27,f=-2.9!) USER MOD Single : A 68 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.52) USER MOD Single : A 69 HIS : no HD1:sc= -3.78! C(o=-3.8!,f=-8.9!) USER MOD Single : A 70 HIS : no HD1:sc= -0.0981 X(o=-0.098,f=0) USER MOD Single : A 71 HIS : no HD1:sc= -3.48! C(o=-3.5!,f=-0.96!) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 159:sc= -0.226 (180deg=-0.89) USER MOD Single : B 3 ASN : amide:sc= -1.73 K(o=-1.7,f=-4.1!) USER MOD Single : B 8 SER OG : rot 160:sc= -0.803 USER MOD Single : B 10 THR OG1 : rot 170:sc= 0 USER MOD Single : B 13 SER OG : rot -120:sc= -3.19! USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= -0.723 K(o=-0.72,f=-4.9!) 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 K(o=0,f=-0.8) USER MOD Single : B 33 SER OG : rot 180:sc= -0.147 USER MOD Single : B 35 LYS NZ :NH3+ -158:sc= -0.0556 (180deg=-1.26) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ -135:sc= -1.84! (180deg=-2.41!) USER MOD Single : B 50 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 62 TYR OH : rot -50:sc= -0.277 USER MOD Single : B 66 HIS : no HD1:sc= -0.17 X(o=-0.17,f=-0.037) USER MOD Single : B 67 HIS : no HE2:sc= -1.41 X(o=-1.4,f=-1.5) USER MOD Single : B 68 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.056) USER MOD Single : B 69 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : B 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 71 HIS : no HD1:sc= -2.55! K(o=-2.5!,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.547 9.401 -6.993 1.00 0.00 N ATOM 2 CA MET A 1 -15.270 9.957 -8.168 1.00 0.00 C ATOM 3 C MET A 1 -14.446 9.696 -9.428 1.00 0.00 C ATOM 4 O MET A 1 -14.976 9.505 -10.503 1.00 0.00 O ATOM 5 CB MET A 1 -15.463 11.462 -7.977 1.00 0.00 C ATOM 6 CG MET A 1 -16.256 12.035 -9.153 1.00 0.00 C ATOM 7 SD MET A 1 -16.557 13.800 -8.875 1.00 0.00 S ATOM 8 CE MET A 1 -15.001 14.414 -9.564 1.00 0.00 C ATOM 0 H1 MET A 1 -15.199 8.823 -6.426 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.756 8.810 -7.320 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.179 10.180 -6.411 1.00 0.00 H new ATOM 0 HA MET A 1 -16.245 9.480 -8.266 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.990 11.655 -7.043 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.494 11.956 -7.904 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.704 11.891 -10.082 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.203 11.506 -9.259 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.975 15.501 -9.493 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.165 13.994 -9.005 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.924 14.117 -10.610 1.00 0.00 H new ATOM 20 N ASP A 2 -13.149 9.680 -9.296 1.00 0.00 N ATOM 21 CA ASP A 2 -12.276 9.425 -10.475 1.00 0.00 C ATOM 22 C ASP A 2 -10.905 8.964 -9.962 1.00 0.00 C ATOM 23 O ASP A 2 -10.123 8.371 -10.678 1.00 0.00 O ATOM 24 CB ASP A 2 -12.144 10.732 -11.300 1.00 0.00 C ATOM 25 CG ASP A 2 -12.371 10.487 -12.806 1.00 0.00 C ATOM 26 OD1 ASP A 2 -12.610 9.354 -13.190 1.00 0.00 O ATOM 27 OD2 ASP A 2 -12.301 11.451 -13.553 1.00 0.00 O ATOM 0 H ASP A 2 -12.654 9.833 -8.417 1.00 0.00 H new ATOM 0 HA ASP A 2 -12.700 8.653 -11.118 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.866 11.464 -10.938 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -11.153 11.159 -11.147 1.00 0.00 H new ATOM 32 N ASN A 3 -10.618 9.240 -8.711 1.00 0.00 N ATOM 33 CA ASN A 3 -9.310 8.840 -8.106 1.00 0.00 C ATOM 34 C ASN A 3 -9.537 7.759 -7.040 1.00 0.00 C ATOM 35 O ASN A 3 -8.679 7.496 -6.220 1.00 0.00 O ATOM 36 CB ASN A 3 -8.657 10.079 -7.473 1.00 0.00 C ATOM 37 CG ASN A 3 -9.738 11.002 -6.907 1.00 0.00 C ATOM 38 OD1 ASN A 3 -10.384 11.724 -7.643 1.00 0.00 O ATOM 39 ND2 ASN A 3 -9.967 11.012 -5.624 1.00 0.00 N ATOM 0 H ASN A 3 -11.246 9.733 -8.076 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.654 8.435 -8.876 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -7.973 9.776 -6.680 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -8.066 10.611 -8.218 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -10.686 11.624 -5.239 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.427 10.408 -5.005 1.00 0.00 H new ATOM 46 N ARG A 4 -10.680 7.129 -7.046 1.00 0.00 N ATOM 47 CA ARG A 4 -10.951 6.065 -6.033 1.00 0.00 C ATOM 48 C ARG A 4 -10.071 4.854 -6.345 1.00 0.00 C ATOM 49 O ARG A 4 -9.858 4.511 -7.490 1.00 0.00 O ATOM 50 CB ARG A 4 -12.429 5.660 -6.096 1.00 0.00 C ATOM 51 CG ARG A 4 -13.330 6.892 -5.914 1.00 0.00 C ATOM 52 CD ARG A 4 -13.435 7.271 -4.431 1.00 0.00 C ATOM 53 NE ARG A 4 -14.033 6.141 -3.667 1.00 0.00 N ATOM 54 CZ ARG A 4 -15.326 5.958 -3.680 1.00 0.00 C ATOM 55 NH1 ARG A 4 -16.089 6.733 -4.403 1.00 0.00 N ATOM 56 NH2 ARG A 4 -15.854 4.993 -2.978 1.00 0.00 N ATOM 0 H ARG A 4 -11.438 7.303 -7.706 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.727 6.437 -5.033 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -12.642 5.184 -7.053 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -12.645 4.926 -5.320 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -12.927 7.731 -6.481 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -14.323 6.685 -6.313 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -12.448 7.508 -4.035 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -14.048 8.165 -4.316 1.00 0.00 H new ATOM 0 HE ARG A 4 -13.433 5.511 -3.134 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -15.675 7.482 -4.958 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -17.099 6.589 -4.413 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.257 4.383 -2.420 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -16.864 4.849 -2.987 1.00 0.00 H new ATOM 70 N GLN A 5 -9.541 4.208 -5.334 1.00 0.00 N ATOM 71 CA GLN A 5 -8.655 3.026 -5.578 1.00 0.00 C ATOM 72 C GLN A 5 -8.903 1.957 -4.517 1.00 0.00 C ATOM 73 O GLN A 5 -9.455 2.219 -3.467 1.00 0.00 O ATOM 74 CB GLN A 5 -7.192 3.469 -5.510 1.00 0.00 C ATOM 75 CG GLN A 5 -6.904 4.424 -6.669 1.00 0.00 C ATOM 76 CD GLN A 5 -5.434 4.842 -6.647 1.00 0.00 C ATOM 77 OE1 GLN A 5 -4.997 5.611 -7.479 1.00 0.00 O ATOM 78 NE2 GLN A 5 -4.645 4.365 -5.724 1.00 0.00 N ATOM 0 H GLN A 5 -9.683 4.447 -4.353 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.875 2.613 -6.562 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.992 3.962 -4.558 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.534 2.602 -5.565 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.139 3.940 -7.617 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.542 5.304 -6.593 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.011 3.719 -5.024 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.662 4.638 -5.702 1.00 0.00 H new ATOM 87 N PHE A 6 -8.488 0.749 -4.791 1.00 0.00 N ATOM 88 CA PHE A 6 -8.676 -0.369 -3.819 1.00 0.00 C ATOM 89 C PHE A 6 -7.318 -0.741 -3.237 1.00 0.00 C ATOM 90 O PHE A 6 -6.321 -0.744 -3.929 1.00 0.00 O ATOM 91 CB PHE A 6 -9.235 -1.582 -4.556 1.00 0.00 C ATOM 92 CG PHE A 6 -10.627 -1.283 -5.036 1.00 0.00 C ATOM 93 CD1 PHE A 6 -10.819 -0.674 -6.278 1.00 0.00 C ATOM 94 CD2 PHE A 6 -11.728 -1.624 -4.242 1.00 0.00 C ATOM 95 CE1 PHE A 6 -12.113 -0.403 -6.732 1.00 0.00 C ATOM 96 CE2 PHE A 6 -13.023 -1.353 -4.695 1.00 0.00 C ATOM 97 CZ PHE A 6 -13.218 -0.743 -5.941 1.00 0.00 C ATOM 0 H PHE A 6 -8.020 0.485 -5.658 1.00 0.00 H new ATOM 0 HA PHE A 6 -9.361 -0.063 -3.028 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -8.594 -1.834 -5.401 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -9.246 -2.449 -3.895 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -9.967 -0.412 -6.888 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -11.578 -2.095 -3.282 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -12.261 0.068 -7.692 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -13.874 -1.614 -4.083 1.00 0.00 H new ATOM 0 HZ PHE A 6 -14.218 -0.535 -6.291 1.00 0.00 H new ATOM 107 N LEU A 7 -7.264 -1.064 -1.973 1.00 0.00 N ATOM 108 CA LEU A 7 -5.961 -1.446 -1.355 1.00 0.00 C ATOM 109 C LEU A 7 -6.212 -2.577 -0.363 1.00 0.00 C ATOM 110 O LEU A 7 -7.017 -2.455 0.538 1.00 0.00 O ATOM 111 CB LEU A 7 -5.367 -0.233 -0.629 1.00 0.00 C ATOM 112 CG LEU A 7 -3.878 -0.469 -0.320 1.00 0.00 C ATOM 113 CD1 LEU A 7 -3.231 0.868 0.056 1.00 0.00 C ATOM 114 CD2 LEU A 7 -3.712 -1.476 0.836 1.00 0.00 C ATOM 0 H LEU A 7 -8.065 -1.080 -1.342 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.259 -1.776 -2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.480 0.659 -1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.913 -0.052 0.297 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.392 -0.884 -1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.175 0.712 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.328 1.566 -0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.729 1.279 0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.651 -1.628 1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.199 -1.087 1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.168 -2.426 0.559 1.00 0.00 H new ATOM 126 N SER A 8 -5.536 -3.682 -0.528 1.00 0.00 N ATOM 127 CA SER A 8 -5.731 -4.841 0.397 1.00 0.00 C ATOM 128 C SER A 8 -4.369 -5.361 0.841 1.00 0.00 C ATOM 129 O SER A 8 -3.438 -5.429 0.064 1.00 0.00 O ATOM 130 CB SER A 8 -6.471 -5.960 -0.336 1.00 0.00 C ATOM 131 OG SER A 8 -6.694 -7.039 0.562 1.00 0.00 O ATOM 0 H SER A 8 -4.852 -3.835 -1.269 1.00 0.00 H new ATOM 0 HA SER A 8 -6.311 -4.521 1.263 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.421 -5.591 -0.723 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.887 -6.298 -1.192 1.00 0.00 H new ATOM 0 HG SER A 8 -6.797 -6.691 1.472 1.00 0.00 H new ATOM 137 N LEU A 9 -4.242 -5.732 2.085 1.00 0.00 N ATOM 138 CA LEU A 9 -2.936 -6.255 2.582 1.00 0.00 C ATOM 139 C LEU A 9 -3.199 -7.353 3.612 1.00 0.00 C ATOM 140 O LEU A 9 -4.131 -7.276 4.392 1.00 0.00 O ATOM 141 CB LEU A 9 -2.135 -5.124 3.240 1.00 0.00 C ATOM 142 CG LEU A 9 -0.679 -5.576 3.472 1.00 0.00 C ATOM 143 CD1 LEU A 9 0.150 -5.393 2.192 1.00 0.00 C ATOM 144 CD2 LEU A 9 -0.053 -4.742 4.594 1.00 0.00 C ATOM 0 H LEU A 9 -4.987 -5.696 2.781 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.365 -6.657 1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.153 -4.238 2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.594 -4.846 4.189 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.684 -6.630 3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.175 -5.717 2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.283 -5.990 1.390 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.147 -4.342 1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.976 -5.064 4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.064 -3.689 4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.625 -4.879 5.512 1.00 0.00 H new ATOM 156 N THR A 10 -2.390 -8.382 3.611 1.00 0.00 N ATOM 157 CA THR A 10 -2.581 -9.507 4.581 1.00 0.00 C ATOM 158 C THR A 10 -1.248 -9.820 5.269 1.00 0.00 C ATOM 159 O THR A 10 -0.313 -10.288 4.651 1.00 0.00 O ATOM 160 CB THR A 10 -3.069 -10.741 3.820 1.00 0.00 C ATOM 161 OG1 THR A 10 -1.953 -11.429 3.273 1.00 0.00 O ATOM 162 CG2 THR A 10 -4.005 -10.303 2.691 1.00 0.00 C ATOM 0 H THR A 10 -1.600 -8.493 2.976 1.00 0.00 H new ATOM 0 HA THR A 10 -3.316 -9.226 5.335 1.00 0.00 H new ATOM 0 HB THR A 10 -3.605 -11.403 4.500 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.198 -10.811 3.187 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.354 -11.181 2.147 1.00 0.00 H new ATOM 0 HG22 THR A 10 -4.859 -9.773 3.112 1.00 0.00 H new ATOM 0 HG23 THR A 10 -3.469 -9.643 2.009 1.00 0.00 H new ATOM 170 N GLY A 11 -1.155 -9.562 6.549 1.00 0.00 N ATOM 171 CA GLY A 11 0.116 -9.836 7.291 1.00 0.00 C ATOM 172 C GLY A 11 0.339 -8.744 8.337 1.00 0.00 C ATOM 173 O GLY A 11 1.460 -8.386 8.643 1.00 0.00 O ATOM 0 H GLY A 11 -1.908 -9.171 7.116 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.065 -10.812 7.773 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.956 -9.867 6.597 1.00 0.00 H new ATOM 177 N VAL A 12 -0.717 -8.204 8.881 1.00 0.00 N ATOM 178 CA VAL A 12 -0.565 -7.124 9.897 1.00 0.00 C ATOM 179 C VAL A 12 -0.259 -7.727 11.268 1.00 0.00 C ATOM 180 O VAL A 12 -0.906 -8.656 11.711 1.00 0.00 O ATOM 181 CB VAL A 12 -1.862 -6.318 9.978 1.00 0.00 C ATOM 182 CG1 VAL A 12 -1.751 -5.283 11.100 1.00 0.00 C ATOM 183 CG2 VAL A 12 -2.098 -5.599 8.650 1.00 0.00 C ATOM 0 H VAL A 12 -1.679 -8.464 8.666 1.00 0.00 H new ATOM 0 HA VAL A 12 0.259 -6.474 9.602 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.694 -6.991 10.183 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.675 -4.708 11.158 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.580 -5.792 12.049 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.918 -4.611 10.894 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.022 -5.024 8.707 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.264 -4.927 8.447 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.176 -6.333 7.848 1.00 0.00 H new ATOM 193 N SER A 13 0.713 -7.186 11.948 1.00 0.00 N ATOM 194 CA SER A 13 1.059 -7.701 13.299 1.00 0.00 C ATOM 195 C SER A 13 -0.032 -7.277 14.282 1.00 0.00 C ATOM 196 O SER A 13 -0.456 -8.044 15.124 1.00 0.00 O ATOM 197 CB SER A 13 2.394 -7.106 13.734 1.00 0.00 C ATOM 198 OG SER A 13 3.395 -7.473 12.793 1.00 0.00 O ATOM 0 H SER A 13 1.284 -6.406 11.623 1.00 0.00 H new ATOM 0 HA SER A 13 1.135 -8.788 13.278 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.319 -6.021 13.799 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.661 -7.467 14.727 1.00 0.00 H new ATOM 0 HG SER A 13 4.256 -7.092 13.066 1.00 0.00 H new ATOM 204 N LYS A 14 -0.499 -6.062 14.175 1.00 0.00 N ATOM 205 CA LYS A 14 -1.574 -5.599 15.099 1.00 0.00 C ATOM 206 C LYS A 14 -2.111 -4.245 14.631 1.00 0.00 C ATOM 207 O LYS A 14 -1.429 -3.483 13.973 1.00 0.00 O ATOM 208 CB LYS A 14 -1.026 -5.485 16.529 1.00 0.00 C ATOM 209 CG LYS A 14 0.183 -4.514 16.580 1.00 0.00 C ATOM 210 CD LYS A 14 -0.252 -3.144 17.119 1.00 0.00 C ATOM 211 CE LYS A 14 0.969 -2.230 17.237 1.00 0.00 C ATOM 212 NZ LYS A 14 0.547 -0.906 17.770 1.00 0.00 N ATOM 0 H LYS A 14 -0.185 -5.373 13.491 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.387 -6.325 15.093 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.811 -5.131 17.197 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.723 -6.469 16.887 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.965 -4.930 17.215 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.609 -4.401 15.583 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.991 -2.697 16.453 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.729 -3.259 18.092 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.711 -2.680 17.897 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.441 -2.108 16.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.656 -0.183 17.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.449 -0.952 18.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.139 -0.656 18.588 1.00 0.00 H new ATOM 226 N VAL A 15 -3.338 -3.952 14.957 1.00 0.00 N ATOM 227 CA VAL A 15 -3.950 -2.661 14.528 1.00 0.00 C ATOM 228 C VAL A 15 -3.592 -1.548 15.519 1.00 0.00 C ATOM 229 O VAL A 15 -4.123 -1.482 16.609 1.00 0.00 O ATOM 230 CB VAL A 15 -5.468 -2.842 14.490 1.00 0.00 C ATOM 231 CG1 VAL A 15 -6.151 -1.507 14.184 1.00 0.00 C ATOM 232 CG2 VAL A 15 -5.820 -3.860 13.403 1.00 0.00 C ATOM 0 H VAL A 15 -3.949 -4.556 15.507 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.573 -2.382 13.544 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.815 -3.198 15.460 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.232 -1.648 14.159 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.897 -0.783 14.958 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.811 -1.138 13.216 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.901 -3.996 13.368 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.469 -3.497 12.437 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.342 -4.813 13.628 1.00 0.00 H new ATOM 242 N GLN A 16 -2.704 -0.662 15.143 1.00 0.00 N ATOM 243 CA GLN A 16 -2.330 0.450 16.062 1.00 0.00 C ATOM 244 C GLN A 16 -3.529 1.386 16.219 1.00 0.00 C ATOM 245 O GLN A 16 -3.834 1.847 17.302 1.00 0.00 O ATOM 246 CB GLN A 16 -1.144 1.224 15.478 1.00 0.00 C ATOM 247 CG GLN A 16 -0.703 2.311 16.464 1.00 0.00 C ATOM 248 CD GLN A 16 0.476 3.085 15.875 1.00 0.00 C ATOM 249 OE1 GLN A 16 0.357 3.700 14.835 1.00 0.00 O ATOM 250 NE2 GLN A 16 1.622 3.075 16.500 1.00 0.00 N ATOM 0 H GLN A 16 -2.225 -0.662 14.243 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.047 0.047 17.034 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -0.316 0.544 15.277 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.424 1.675 14.526 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.531 2.989 16.668 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -0.418 1.861 17.415 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.722 2.558 17.374 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.418 3.584 16.115 1.00 0.00 H new ATOM 259 N SER A 17 -4.210 1.670 15.143 1.00 0.00 N ATOM 260 CA SER A 17 -5.390 2.572 15.225 1.00 0.00 C ATOM 261 C SER A 17 -6.108 2.569 13.880 1.00 0.00 C ATOM 262 O SER A 17 -5.485 2.631 12.839 1.00 0.00 O ATOM 263 CB SER A 17 -4.938 3.994 15.547 1.00 0.00 C ATOM 264 OG SER A 17 -6.081 4.827 15.684 1.00 0.00 O ATOM 0 H SER A 17 -3.999 1.315 14.210 1.00 0.00 H new ATOM 0 HA SER A 17 -6.059 2.222 16.011 1.00 0.00 H new ATOM 0 HB2 SER A 17 -4.354 4.003 16.467 1.00 0.00 H new ATOM 0 HB3 SER A 17 -4.291 4.371 14.755 1.00 0.00 H new ATOM 0 HG SER A 17 -5.796 5.741 15.893 1.00 0.00 H new ATOM 270 N PHE A 18 -7.416 2.496 13.890 1.00 0.00 N ATOM 271 CA PHE A 18 -8.188 2.489 12.606 1.00 0.00 C ATOM 272 C PHE A 18 -9.202 3.638 12.623 1.00 0.00 C ATOM 273 O PHE A 18 -10.205 3.577 13.306 1.00 0.00 O ATOM 274 CB PHE A 18 -8.932 1.149 12.473 1.00 0.00 C ATOM 275 CG PHE A 18 -9.258 0.887 11.018 1.00 0.00 C ATOM 276 CD1 PHE A 18 -10.299 1.586 10.391 1.00 0.00 C ATOM 277 CD2 PHE A 18 -8.509 -0.050 10.295 1.00 0.00 C ATOM 278 CE1 PHE A 18 -10.588 1.347 9.039 1.00 0.00 C ATOM 279 CE2 PHE A 18 -8.799 -0.290 8.949 1.00 0.00 C ATOM 280 CZ PHE A 18 -9.835 0.408 8.319 1.00 0.00 C ATOM 0 H PHE A 18 -7.985 2.441 14.734 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.509 2.615 11.763 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.318 0.340 12.869 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.849 1.171 13.063 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.878 2.308 10.948 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.707 -0.588 10.778 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -11.389 1.885 8.554 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.222 -1.015 8.394 1.00 0.00 H new ATOM 0 HZ PHE A 18 -10.055 0.224 7.278 1.00 0.00 H new ATOM 290 N ASP A 19 -8.947 4.679 11.870 1.00 0.00 N ATOM 291 CA ASP A 19 -9.889 5.843 11.817 1.00 0.00 C ATOM 292 C ASP A 19 -10.215 6.152 10.342 1.00 0.00 C ATOM 293 O ASP A 19 -9.409 5.917 9.465 1.00 0.00 O ATOM 294 CB ASP A 19 -9.216 7.068 12.466 1.00 0.00 C ATOM 295 CG ASP A 19 -9.516 7.102 13.967 1.00 0.00 C ATOM 296 OD1 ASP A 19 -9.233 6.118 14.633 1.00 0.00 O ATOM 297 OD2 ASP A 19 -10.024 8.111 14.427 1.00 0.00 O ATOM 0 H ASP A 19 -8.118 4.774 11.283 1.00 0.00 H new ATOM 0 HA ASP A 19 -10.807 5.608 12.355 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.139 7.029 12.304 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.576 7.982 11.995 1.00 0.00 H new ATOM 302 N PRO A 20 -11.383 6.674 10.065 1.00 0.00 N ATOM 303 CA PRO A 20 -11.795 7.011 8.670 1.00 0.00 C ATOM 304 C PRO A 20 -10.989 8.191 8.120 1.00 0.00 C ATOM 305 O PRO A 20 -10.900 8.397 6.925 1.00 0.00 O ATOM 306 CB PRO A 20 -13.283 7.367 8.804 1.00 0.00 C ATOM 307 CG PRO A 20 -13.442 7.821 10.220 1.00 0.00 C ATOM 308 CD PRO A 20 -12.433 7.016 11.040 1.00 0.00 C ATOM 0 HA PRO A 20 -11.620 6.192 7.972 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -13.566 8.152 8.103 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.916 6.506 8.591 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -13.252 8.891 10.310 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.458 7.647 10.573 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -12.034 7.600 11.869 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.887 6.123 11.469 1.00 0.00 H new ATOM 316 N LYS A 21 -10.393 8.961 8.991 1.00 0.00 N ATOM 317 CA LYS A 21 -9.578 10.129 8.545 1.00 0.00 C ATOM 318 C LYS A 21 -8.104 9.725 8.517 1.00 0.00 C ATOM 319 O LYS A 21 -7.252 10.463 8.064 1.00 0.00 O ATOM 320 CB LYS A 21 -9.775 11.282 9.530 1.00 0.00 C ATOM 321 CG LYS A 21 -11.237 11.740 9.491 1.00 0.00 C ATOM 322 CD LYS A 21 -11.433 12.961 10.399 1.00 0.00 C ATOM 323 CE LYS A 21 -11.339 12.556 11.875 1.00 0.00 C ATOM 324 NZ LYS A 21 -11.874 13.658 12.722 1.00 0.00 N ATOM 0 H LYS A 21 -10.436 8.830 10.002 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.890 10.444 7.549 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.509 10.963 10.538 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.116 12.111 9.273 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.521 11.989 8.468 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.889 10.929 9.814 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.677 13.714 10.174 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.404 13.415 10.202 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.904 11.640 12.050 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.303 12.347 12.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.812 13.387 13.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.316 14.521 12.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.868 13.836 12.473 1.00 0.00 H new ATOM 338 N GLU A 22 -7.802 8.550 9.001 1.00 0.00 N ATOM 339 CA GLU A 22 -6.389 8.076 9.007 1.00 0.00 C ATOM 340 C GLU A 22 -6.358 6.619 9.459 1.00 0.00 C ATOM 341 O GLU A 22 -7.089 6.223 10.346 1.00 0.00 O ATOM 342 CB GLU A 22 -5.550 8.923 9.962 1.00 0.00 C ATOM 343 CG GLU A 22 -4.099 8.450 9.897 1.00 0.00 C ATOM 344 CD GLU A 22 -3.194 9.442 10.629 1.00 0.00 C ATOM 345 OE1 GLU A 22 -3.701 10.182 11.454 1.00 0.00 O ATOM 346 OE2 GLU A 22 -2.011 9.462 10.329 1.00 0.00 O ATOM 0 H GLU A 22 -8.478 7.895 9.394 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.975 8.166 8.003 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.616 9.976 9.689 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.931 8.833 10.979 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.009 7.462 10.348 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.784 8.356 8.858 1.00 0.00 H new ATOM 353 N ILE A 23 -5.527 5.810 8.849 1.00 0.00 N ATOM 354 CA ILE A 23 -5.450 4.365 9.234 1.00 0.00 C ATOM 355 C ILE A 23 -4.002 3.997 9.536 1.00 0.00 C ATOM 356 O ILE A 23 -3.110 4.233 8.744 1.00 0.00 O ATOM 357 CB ILE A 23 -5.951 3.508 8.069 1.00 0.00 C ATOM 358 CG1 ILE A 23 -7.408 3.875 7.720 1.00 0.00 C ATOM 359 CG2 ILE A 23 -5.849 2.027 8.442 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.383 3.424 8.815 1.00 0.00 C ATOM 0 H ILE A 23 -4.896 6.089 8.098 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.065 4.189 10.117 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.331 3.699 7.193 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.489 4.953 7.582 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.684 3.411 6.773 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.206 1.417 7.612 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.810 1.776 8.656 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.458 1.831 9.324 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.399 3.700 8.534 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.321 2.342 8.935 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.123 3.909 9.756 1.00 0.00 H new ATOM 372 N LEU A 24 -3.767 3.418 10.684 1.00 0.00 N ATOM 373 CA LEU A 24 -2.383 3.017 11.077 1.00 0.00 C ATOM 374 C LEU A 24 -2.352 1.509 11.317 1.00 0.00 C ATOM 375 O LEU A 24 -3.063 0.992 12.159 1.00 0.00 O ATOM 376 CB LEU A 24 -2.005 3.742 12.369 1.00 0.00 C ATOM 377 CG LEU A 24 -2.172 5.256 12.176 1.00 0.00 C ATOM 378 CD1 LEU A 24 -1.816 5.977 13.479 1.00 0.00 C ATOM 379 CD2 LEU A 24 -1.255 5.745 11.044 1.00 0.00 C ATOM 0 H LEU A 24 -4.485 3.203 11.376 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.679 3.278 10.287 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.635 3.398 13.189 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.975 3.511 12.640 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.207 5.473 11.911 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.934 7.052 13.344 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.478 5.637 14.276 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.783 5.756 13.746 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.380 6.820 10.914 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.217 5.528 11.297 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.517 5.234 10.117 1.00 0.00 H new ATOM 391 N LEU A 25 -1.537 0.798 10.584 1.00 0.00 N ATOM 392 CA LEU A 25 -1.445 -0.684 10.760 1.00 0.00 C ATOM 393 C LEU A 25 0.024 -1.077 10.867 1.00 0.00 C ATOM 394 O LEU A 25 0.828 -0.751 10.019 1.00 0.00 O ATOM 395 CB LEU A 25 -2.079 -1.379 9.551 1.00 0.00 C ATOM 396 CG LEU A 25 -3.573 -1.039 9.488 1.00 0.00 C ATOM 397 CD1 LEU A 25 -4.163 -1.592 8.187 1.00 0.00 C ATOM 398 CD2 LEU A 25 -4.311 -1.653 10.690 1.00 0.00 C ATOM 0 H LEU A 25 -0.925 1.183 9.864 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.973 -0.986 11.665 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.584 -1.059 8.634 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.944 -2.458 9.627 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.694 0.044 9.518 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.225 -1.352 8.138 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.651 -1.144 7.336 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.034 -2.674 8.160 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.371 -1.404 10.632 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.192 -2.736 10.675 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.894 -1.255 11.615 1.00 0.00 H new ATOM 410 N GLU A 26 0.385 -1.771 11.913 1.00 0.00 N ATOM 411 CA GLU A 26 1.808 -2.179 12.081 1.00 0.00 C ATOM 412 C GLU A 26 2.013 -3.563 11.473 1.00 0.00 C ATOM 413 O GLU A 26 1.372 -4.523 11.865 1.00 0.00 O ATOM 414 CB GLU A 26 2.159 -2.196 13.566 1.00 0.00 C ATOM 415 CG GLU A 26 3.641 -2.532 13.734 1.00 0.00 C ATOM 416 CD GLU A 26 4.042 -2.325 15.193 1.00 0.00 C ATOM 417 OE1 GLU A 26 3.800 -1.243 15.704 1.00 0.00 O ATOM 418 OE2 GLU A 26 4.586 -3.248 15.776 1.00 0.00 O ATOM 0 H GLU A 26 -0.244 -2.072 12.657 1.00 0.00 H new ATOM 0 HA GLU A 26 2.459 -1.468 11.572 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.942 -1.226 14.013 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.547 -2.932 14.087 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.828 -3.564 13.436 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.245 -1.898 13.085 1.00 0.00 H new ATOM 425 N THR A 27 2.898 -3.667 10.506 1.00 0.00 N ATOM 426 CA THR A 27 3.155 -4.985 9.837 1.00 0.00 C ATOM 427 C THR A 27 4.635 -5.365 9.963 1.00 0.00 C ATOM 428 O THR A 27 5.504 -4.520 10.093 1.00 0.00 O ATOM 429 CB THR A 27 2.787 -4.878 8.352 1.00 0.00 C ATOM 430 OG1 THR A 27 3.083 -6.105 7.705 1.00 0.00 O ATOM 431 CG2 THR A 27 3.588 -3.749 7.697 1.00 0.00 C ATOM 0 H THR A 27 3.456 -2.891 10.150 1.00 0.00 H new ATOM 0 HA THR A 27 2.548 -5.752 10.319 1.00 0.00 H new ATOM 0 HB THR A 27 1.723 -4.662 8.260 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.567 -6.827 8.121 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.322 -3.678 6.642 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.359 -2.806 8.193 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.654 -3.958 7.789 1.00 0.00 H new ATOM 439 N ILE A 28 4.910 -6.644 9.919 1.00 0.00 N ATOM 440 CA ILE A 28 6.311 -7.155 10.028 1.00 0.00 C ATOM 441 C ILE A 28 7.052 -6.466 11.176 1.00 0.00 C ATOM 442 O ILE A 28 7.169 -7.003 12.258 1.00 0.00 O ATOM 443 CB ILE A 28 7.059 -6.914 8.711 1.00 0.00 C ATOM 444 CG1 ILE A 28 6.179 -7.342 7.527 1.00 0.00 C ATOM 445 CG2 ILE A 28 8.358 -7.728 8.702 1.00 0.00 C ATOM 446 CD1 ILE A 28 5.636 -8.756 7.755 1.00 0.00 C ATOM 0 H ILE A 28 4.205 -7.373 9.809 1.00 0.00 H new ATOM 0 HA ILE A 28 6.272 -8.225 10.233 1.00 0.00 H new ATOM 0 HB ILE A 28 7.293 -5.853 8.621 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.352 -6.642 7.407 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.758 -7.312 6.604 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.889 -7.556 7.766 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.987 -7.419 9.537 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.124 -8.788 8.797 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.014 -9.048 6.909 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.468 -9.454 7.852 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.040 -8.774 8.667 1.00 0.00 H new ATOM 458 N GLN A 29 7.574 -5.293 10.946 1.00 0.00 N ATOM 459 CA GLN A 29 8.330 -4.577 12.013 1.00 0.00 C ATOM 460 C GLN A 29 8.145 -3.067 11.858 1.00 0.00 C ATOM 461 O GLN A 29 8.345 -2.309 12.787 1.00 0.00 O ATOM 462 CB GLN A 29 9.818 -4.911 11.879 1.00 0.00 C ATOM 463 CG GLN A 29 10.237 -4.855 10.404 1.00 0.00 C ATOM 464 CD GLN A 29 10.206 -3.410 9.906 1.00 0.00 C ATOM 465 OE1 GLN A 29 10.469 -2.489 10.653 1.00 0.00 O ATOM 466 NE2 GLN A 29 9.886 -3.172 8.662 1.00 0.00 N ATOM 0 H GLN A 29 7.509 -4.796 10.058 1.00 0.00 H new ATOM 0 HA GLN A 29 7.959 -4.889 12.989 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.411 -4.206 12.461 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.014 -5.904 12.284 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.239 -5.267 10.286 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.567 -5.470 9.803 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.665 -3.946 8.035 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.857 -2.212 8.318 1.00 0.00 H new ATOM 475 N GLY A 30 7.781 -2.620 10.682 1.00 0.00 N ATOM 476 CA GLY A 30 7.603 -1.155 10.451 1.00 0.00 C ATOM 477 C GLY A 30 6.130 -0.784 10.576 1.00 0.00 C ATOM 478 O GLY A 30 5.274 -1.636 10.713 1.00 0.00 O ATOM 0 H GLY A 30 7.599 -3.209 9.870 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.192 -0.590 11.174 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.972 -0.887 9.461 1.00 0.00 H new ATOM 482 N VAL A 31 5.832 0.490 10.523 1.00 0.00 N ATOM 483 CA VAL A 31 4.414 0.955 10.632 1.00 0.00 C ATOM 484 C VAL A 31 4.030 1.691 9.352 1.00 0.00 C ATOM 485 O VAL A 31 4.755 2.534 8.866 1.00 0.00 O ATOM 486 CB VAL A 31 4.277 1.893 11.833 1.00 0.00 C ATOM 487 CG1 VAL A 31 2.890 2.546 11.825 1.00 0.00 C ATOM 488 CG2 VAL A 31 4.451 1.082 13.118 1.00 0.00 C ATOM 0 H VAL A 31 6.518 1.236 10.408 1.00 0.00 H new ATOM 0 HA VAL A 31 3.753 0.100 10.770 1.00 0.00 H new ATOM 0 HB VAL A 31 5.038 2.671 11.779 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.797 3.213 12.682 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.762 3.117 10.905 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.124 1.773 11.882 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.355 1.742 13.980 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.685 0.308 13.166 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.437 0.618 13.124 1.00 0.00 H new ATOM 498 N LEU A 32 2.889 1.365 8.804 1.00 0.00 N ATOM 499 CA LEU A 32 2.426 2.023 7.543 1.00 0.00 C ATOM 500 C LEU A 32 1.247 2.931 7.861 1.00 0.00 C ATOM 501 O LEU A 32 0.282 2.518 8.470 1.00 0.00 O ATOM 502 CB LEU A 32 1.985 0.938 6.553 1.00 0.00 C ATOM 503 CG LEU A 32 1.438 1.575 5.266 1.00 0.00 C ATOM 504 CD1 LEU A 32 2.511 2.457 4.607 1.00 0.00 C ATOM 505 CD2 LEU A 32 1.020 0.458 4.306 1.00 0.00 C ATOM 0 H LEU A 32 2.250 0.664 9.179 1.00 0.00 H new ATOM 0 HA LEU A 32 3.232 2.613 7.108 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.828 0.290 6.315 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.219 0.310 7.009 1.00 0.00 H new ATOM 0 HG LEU A 32 0.579 2.202 5.506 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.108 2.901 3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.806 3.248 5.297 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.381 1.848 4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.629 0.895 3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.884 -0.164 4.073 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.248 -0.154 4.773 1.00 0.00 H new ATOM 517 N SER A 33 1.321 4.172 7.449 1.00 0.00 N ATOM 518 CA SER A 33 0.207 5.131 7.712 1.00 0.00 C ATOM 519 C SER A 33 -0.444 5.514 6.385 1.00 0.00 C ATOM 520 O SER A 33 0.205 6.008 5.484 1.00 0.00 O ATOM 521 CB SER A 33 0.767 6.381 8.390 1.00 0.00 C ATOM 522 OG SER A 33 -0.259 7.358 8.496 1.00 0.00 O ATOM 0 H SER A 33 2.112 4.564 6.938 1.00 0.00 H new ATOM 0 HA SER A 33 -0.535 4.669 8.363 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.150 6.131 9.379 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.604 6.777 7.814 1.00 0.00 H new ATOM 0 HG SER A 33 0.097 8.160 8.932 1.00 0.00 H new ATOM 528 N ILE A 34 -1.726 5.283 6.255 1.00 0.00 N ATOM 529 CA ILE A 34 -2.445 5.619 4.988 1.00 0.00 C ATOM 530 C ILE A 34 -3.344 6.829 5.225 1.00 0.00 C ATOM 531 O ILE A 34 -4.095 6.875 6.177 1.00 0.00 O ATOM 532 CB ILE A 34 -3.301 4.424 4.569 1.00 0.00 C ATOM 533 CG1 ILE A 34 -2.389 3.218 4.328 1.00 0.00 C ATOM 534 CG2 ILE A 34 -4.060 4.762 3.283 1.00 0.00 C ATOM 535 CD1 ILE A 34 -3.238 1.957 4.162 1.00 0.00 C ATOM 0 H ILE A 34 -2.312 4.871 6.981 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.725 5.849 4.203 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.019 4.190 5.355 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.783 3.380 3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.700 3.097 5.164 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.670 3.909 2.986 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.703 5.625 3.456 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.348 4.993 2.490 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.587 1.100 3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.825 1.792 5.066 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.908 2.079 3.311 1.00 0.00 H new ATOM 547 N LYS A 35 -3.261 7.819 4.370 1.00 0.00 N ATOM 548 CA LYS A 35 -4.100 9.047 4.538 1.00 0.00 C ATOM 549 C LYS A 35 -4.819 9.352 3.227 1.00 0.00 C ATOM 550 O LYS A 35 -4.270 9.200 2.153 1.00 0.00 O ATOM 551 CB LYS A 35 -3.198 10.222 4.911 1.00 0.00 C ATOM 552 CG LYS A 35 -2.604 9.981 6.299 1.00 0.00 C ATOM 553 CD LYS A 35 -1.820 11.216 6.757 1.00 0.00 C ATOM 554 CE LYS A 35 -0.538 11.371 5.933 1.00 0.00 C ATOM 555 NZ LYS A 35 0.376 12.325 6.623 1.00 0.00 N ATOM 0 H LYS A 35 -2.644 7.829 3.558 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.836 8.886 5.325 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.401 10.331 4.176 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.769 11.151 4.903 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.400 9.761 7.011 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.947 9.111 6.276 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.438 12.107 6.650 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.571 11.125 7.814 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.050 10.404 5.812 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.776 11.735 4.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.248 12.434 6.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.092 13.249 6.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.611 11.959 7.568 1.00 0.00 H new ATOM 569 N GLY A 36 -6.046 9.781 3.304 1.00 0.00 N ATOM 570 CA GLY A 36 -6.805 10.094 2.062 1.00 0.00 C ATOM 571 C GLY A 36 -8.277 10.309 2.411 1.00 0.00 C ATOM 572 O GLY A 36 -8.597 10.949 3.393 1.00 0.00 O ATOM 0 H GLY A 36 -6.557 9.929 4.174 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.397 10.987 1.588 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.704 9.279 1.345 1.00 0.00 H new ATOM 576 N GLU A 37 -9.175 9.789 1.610 1.00 0.00 N ATOM 577 CA GLU A 37 -10.641 9.972 1.887 1.00 0.00 C ATOM 578 C GLU A 37 -11.387 8.640 1.759 1.00 0.00 C ATOM 579 O GLU A 37 -11.038 7.781 0.974 1.00 0.00 O ATOM 580 CB GLU A 37 -11.221 10.964 0.868 1.00 0.00 C ATOM 581 CG GLU A 37 -12.757 10.837 0.808 1.00 0.00 C ATOM 582 CD GLU A 37 -13.380 12.100 0.210 1.00 0.00 C ATOM 583 OE1 GLU A 37 -13.365 13.117 0.883 1.00 0.00 O ATOM 584 OE2 GLU A 37 -13.880 12.022 -0.899 1.00 0.00 O ATOM 0 H GLU A 37 -8.959 9.245 0.775 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.762 10.349 2.903 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.944 11.982 1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.795 10.774 -0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.032 9.970 0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.153 10.669 1.810 1.00 0.00 H new ATOM 591 N LYS A 38 -12.444 8.504 2.513 1.00 0.00 N ATOM 592 CA LYS A 38 -13.278 7.274 2.449 1.00 0.00 C ATOM 593 C LYS A 38 -12.419 6.036 2.664 1.00 0.00 C ATOM 594 O LYS A 38 -12.269 5.215 1.787 1.00 0.00 O ATOM 595 CB LYS A 38 -13.969 7.209 1.080 1.00 0.00 C ATOM 596 CG LYS A 38 -15.158 8.189 1.033 1.00 0.00 C ATOM 597 CD LYS A 38 -16.408 7.540 1.647 1.00 0.00 C ATOM 598 CE LYS A 38 -17.579 8.525 1.592 1.00 0.00 C ATOM 599 NZ LYS A 38 -18.791 7.878 2.169 1.00 0.00 N ATOM 0 H LYS A 38 -12.768 9.205 3.180 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.030 7.306 3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.256 7.454 0.293 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.318 6.194 0.889 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.909 9.100 1.577 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.359 8.478 0.002 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -16.661 6.629 1.105 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.210 7.252 2.679 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.335 9.430 2.149 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -17.768 8.826 0.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.590 8.543 2.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -19.025 7.027 1.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.605 7.612 3.157 1.00 0.00 H new ATOM 613 N LEU A 39 -11.878 5.883 3.842 1.00 0.00 N ATOM 614 CA LEU A 39 -11.049 4.684 4.155 1.00 0.00 C ATOM 615 C LEU A 39 -11.940 3.689 4.900 1.00 0.00 C ATOM 616 O LEU A 39 -11.811 3.496 6.094 1.00 0.00 O ATOM 617 CB LEU A 39 -9.874 5.110 5.046 1.00 0.00 C ATOM 618 CG LEU A 39 -8.758 5.698 4.177 1.00 0.00 C ATOM 619 CD1 LEU A 39 -9.266 6.956 3.472 1.00 0.00 C ATOM 620 CD2 LEU A 39 -7.554 6.051 5.055 1.00 0.00 C ATOM 0 H LEU A 39 -11.977 6.546 4.611 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.654 4.228 3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.207 5.847 5.776 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.500 4.253 5.606 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.456 4.963 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.471 7.373 2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.119 6.701 2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.571 7.692 4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.761 6.469 4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.853 6.784 5.805 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.190 5.152 5.552 1.00 0.00 H new ATOM 632 N GLY A 40 -12.877 3.079 4.211 1.00 0.00 N ATOM 633 CA GLY A 40 -13.815 2.120 4.889 1.00 0.00 C ATOM 634 C GLY A 40 -13.345 0.676 4.701 1.00 0.00 C ATOM 635 O GLY A 40 -12.335 0.419 4.078 1.00 0.00 O ATOM 0 H GLY A 40 -13.034 3.202 3.211 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.874 2.352 5.952 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.819 2.236 4.481 1.00 0.00 H new ATOM 639 N LEU A 46 -13.128 -9.118 9.996 1.00 0.00 N ATOM 640 CA LEU A 46 -12.111 -9.239 8.916 1.00 0.00 C ATOM 641 C LEU A 46 -12.270 -10.595 8.227 1.00 0.00 C ATOM 642 O LEU A 46 -12.190 -10.700 7.019 1.00 0.00 O ATOM 643 CB LEU A 46 -10.713 -9.142 9.534 1.00 0.00 C ATOM 644 CG LEU A 46 -10.477 -7.729 10.083 1.00 0.00 C ATOM 645 CD1 LEU A 46 -9.192 -7.729 10.916 1.00 0.00 C ATOM 646 CD2 LEU A 46 -10.349 -6.712 8.931 1.00 0.00 C ATOM 0 HA LEU A 46 -12.246 -8.441 8.186 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.609 -9.874 10.335 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.958 -9.380 8.785 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.326 -7.440 10.703 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.015 -6.729 11.311 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.294 -8.433 11.742 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.352 -8.025 10.288 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.182 -5.716 9.342 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.508 -6.988 8.294 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.266 -6.712 8.342 1.00 0.00 H new ATOM 658 N LYS A 47 -12.498 -11.631 8.996 1.00 0.00 N ATOM 659 CA LYS A 47 -12.676 -12.995 8.419 1.00 0.00 C ATOM 660 C LYS A 47 -11.430 -13.407 7.629 1.00 0.00 C ATOM 661 O LYS A 47 -10.883 -12.642 6.861 1.00 0.00 O ATOM 662 CB LYS A 47 -13.900 -13.016 7.507 1.00 0.00 C ATOM 663 CG LYS A 47 -14.170 -14.451 7.068 1.00 0.00 C ATOM 664 CD LYS A 47 -15.448 -14.492 6.233 1.00 0.00 C ATOM 665 CE LYS A 47 -15.735 -15.930 5.802 1.00 0.00 C ATOM 666 NZ LYS A 47 -16.996 -15.968 5.009 1.00 0.00 N ATOM 0 H LYS A 47 -12.569 -11.586 10.013 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.823 -13.704 9.234 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -14.767 -12.614 8.031 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.731 -12.382 6.637 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.330 -14.830 6.486 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -14.271 -15.097 7.940 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -16.285 -14.102 6.812 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.342 -13.853 5.356 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.907 -16.315 5.207 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.824 -16.573 6.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.192 -16.946 4.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -17.783 -15.617 5.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -16.894 -15.367 4.166 1.00 0.00 H new ATOM 680 N ALA A 48 -10.978 -14.619 7.828 1.00 0.00 N ATOM 681 CA ALA A 48 -9.762 -15.107 7.114 1.00 0.00 C ATOM 682 C ALA A 48 -8.526 -14.393 7.664 1.00 0.00 C ATOM 683 O ALA A 48 -7.407 -14.812 7.436 1.00 0.00 O ATOM 684 CB ALA A 48 -9.899 -14.856 5.604 1.00 0.00 C ATOM 0 H ALA A 48 -11.404 -15.296 8.460 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.654 -16.180 7.276 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.006 -15.216 5.093 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.773 -15.386 5.225 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -10.016 -13.788 5.422 1.00 0.00 H new ATOM 690 N GLY A 49 -8.713 -13.322 8.390 1.00 0.00 N ATOM 691 CA GLY A 49 -7.542 -12.593 8.957 1.00 0.00 C ATOM 692 C GLY A 49 -6.946 -11.657 7.905 1.00 0.00 C ATOM 693 O GLY A 49 -5.820 -11.218 8.025 1.00 0.00 O ATOM 0 H GLY A 49 -9.624 -12.922 8.614 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.849 -12.020 9.832 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.787 -13.305 9.291 1.00 0.00 H new ATOM 697 N GLN A 50 -7.693 -11.343 6.876 1.00 0.00 N ATOM 698 CA GLN A 50 -7.174 -10.427 5.814 1.00 0.00 C ATOM 699 C GLN A 50 -7.752 -9.032 6.032 1.00 0.00 C ATOM 700 O GLN A 50 -8.749 -8.867 6.704 1.00 0.00 O ATOM 701 CB GLN A 50 -7.607 -10.940 4.441 1.00 0.00 C ATOM 702 CG GLN A 50 -6.870 -12.243 4.138 1.00 0.00 C ATOM 703 CD GLN A 50 -7.341 -12.797 2.795 1.00 0.00 C ATOM 704 OE1 GLN A 50 -8.501 -13.121 2.631 1.00 0.00 O ATOM 705 NE2 GLN A 50 -6.484 -12.914 1.819 1.00 0.00 N ATOM 0 H GLN A 50 -8.643 -11.683 6.725 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.086 -10.391 5.863 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.684 -11.105 4.424 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.386 -10.196 3.675 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.795 -12.067 4.113 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.056 -12.970 4.928 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.511 -12.641 1.959 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.787 -13.278 0.916 1.00 0.00 H new ATOM 714 N VAL A 51 -7.126 -8.023 5.474 1.00 0.00 N ATOM 715 CA VAL A 51 -7.628 -6.624 5.647 1.00 0.00 C ATOM 716 C VAL A 51 -7.896 -6.016 4.273 1.00 0.00 C ATOM 717 O VAL A 51 -7.077 -6.091 3.380 1.00 0.00 O ATOM 718 CB VAL A 51 -6.557 -5.801 6.369 1.00 0.00 C ATOM 719 CG1 VAL A 51 -6.914 -4.310 6.319 1.00 0.00 C ATOM 720 CG2 VAL A 51 -6.479 -6.258 7.827 1.00 0.00 C ATOM 0 H VAL A 51 -6.285 -8.110 4.904 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.549 -6.625 6.230 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.595 -5.949 5.879 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.146 -3.734 6.835 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.974 -3.985 5.280 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.876 -4.150 6.806 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.719 -5.678 8.350 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.445 -6.107 8.308 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.217 -7.315 7.863 1.00 0.00 H new ATOM 730 N GLU A 52 -9.044 -5.414 4.101 1.00 0.00 N ATOM 731 CA GLU A 52 -9.392 -4.785 2.792 1.00 0.00 C ATOM 732 C GLU A 52 -9.891 -3.370 3.057 1.00 0.00 C ATOM 733 O GLU A 52 -10.729 -3.148 3.906 1.00 0.00 O ATOM 734 CB GLU A 52 -10.493 -5.605 2.106 1.00 0.00 C ATOM 735 CG GLU A 52 -10.553 -5.270 0.611 1.00 0.00 C ATOM 736 CD GLU A 52 -11.160 -3.878 0.420 1.00 0.00 C ATOM 737 OE1 GLU A 52 -12.190 -3.617 1.020 1.00 0.00 O ATOM 738 OE2 GLU A 52 -10.587 -3.100 -0.325 1.00 0.00 O ATOM 0 H GLU A 52 -9.763 -5.331 4.820 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.517 -4.756 2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.300 -6.669 2.240 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.456 -5.395 2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.552 -5.304 0.180 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.151 -6.014 0.085 1.00 0.00 H new ATOM 745 N VAL A 53 -9.373 -2.409 2.343 1.00 0.00 N ATOM 746 CA VAL A 53 -9.803 -0.996 2.548 1.00 0.00 C ATOM 747 C VAL A 53 -10.004 -0.335 1.192 1.00 0.00 C ATOM 748 O VAL A 53 -9.226 -0.525 0.279 1.00 0.00 O ATOM 749 CB VAL A 53 -8.730 -0.237 3.325 1.00 0.00 C ATOM 750 CG1 VAL A 53 -9.300 1.104 3.791 1.00 0.00 C ATOM 751 CG2 VAL A 53 -8.302 -1.064 4.540 1.00 0.00 C ATOM 0 H VAL A 53 -8.665 -2.543 1.621 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.736 -0.978 3.112 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.865 -0.062 2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.538 1.650 4.347 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.607 1.690 2.924 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.162 0.929 4.434 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.536 -0.524 5.096 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.164 -1.237 5.184 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.901 -2.021 4.206 1.00 0.00 H new ATOM 761 N GLU A 54 -11.046 0.439 1.055 1.00 0.00 N ATOM 762 CA GLU A 54 -11.323 1.129 -0.240 1.00 0.00 C ATOM 763 C GLU A 54 -11.285 2.635 0.003 1.00 0.00 C ATOM 764 O GLU A 54 -11.669 3.108 1.062 1.00 0.00 O ATOM 765 CB GLU A 54 -12.719 0.746 -0.735 1.00 0.00 C ATOM 766 CG GLU A 54 -12.904 1.234 -2.176 1.00 0.00 C ATOM 767 CD GLU A 54 -14.396 1.273 -2.520 1.00 0.00 C ATOM 768 OE1 GLU A 54 -15.065 0.282 -2.282 1.00 0.00 O ATOM 769 OE2 GLU A 54 -14.844 2.299 -3.001 1.00 0.00 O ATOM 0 H GLU A 54 -11.725 0.625 1.793 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.581 0.839 -0.983 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.849 -0.335 -0.687 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.479 1.188 -0.090 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.468 2.226 -2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.379 0.572 -2.865 1.00 0.00 H new ATOM 776 N GLY A 55 -10.830 3.394 -0.963 1.00 0.00 N ATOM 777 CA GLY A 55 -10.770 4.874 -0.787 1.00 0.00 C ATOM 778 C GLY A 55 -9.713 5.464 -1.722 1.00 0.00 C ATOM 779 O GLY A 55 -8.900 4.756 -2.281 1.00 0.00 O ATOM 0 H GLY A 55 -10.498 3.051 -1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.744 5.315 -1.000 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.530 5.117 0.248 1.00 0.00 H new ATOM 783 N LEU A 56 -9.723 6.760 -1.898 1.00 0.00 N ATOM 784 CA LEU A 56 -8.726 7.414 -2.801 1.00 0.00 C ATOM 785 C LEU A 56 -7.465 7.768 -2.006 1.00 0.00 C ATOM 786 O LEU A 56 -7.530 8.384 -0.961 1.00 0.00 O ATOM 787 CB LEU A 56 -9.345 8.686 -3.402 1.00 0.00 C ATOM 788 CG LEU A 56 -9.766 9.682 -2.290 1.00 0.00 C ATOM 789 CD1 LEU A 56 -8.701 10.785 -2.143 1.00 0.00 C ATOM 790 CD2 LEU A 56 -11.133 10.328 -2.639 1.00 0.00 C ATOM 0 H LEU A 56 -10.383 7.398 -1.453 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.455 6.731 -3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.627 9.163 -4.069 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.213 8.421 -4.005 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.857 9.138 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.003 11.481 -1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.745 10.334 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.600 11.322 -3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.418 11.025 -1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.052 10.863 -3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.891 9.550 -2.727 1.00 0.00 H new ATOM 802 N ILE A 57 -6.319 7.377 -2.491 1.00 0.00 N ATOM 803 CA ILE A 57 -5.055 7.680 -1.764 1.00 0.00 C ATOM 804 C ILE A 57 -4.628 9.119 -2.044 1.00 0.00 C ATOM 805 O ILE A 57 -4.661 9.583 -3.167 1.00 0.00 O ATOM 806 CB ILE A 57 -3.955 6.725 -2.227 1.00 0.00 C ATOM 807 CG1 ILE A 57 -4.487 5.286 -2.207 1.00 0.00 C ATOM 808 CG2 ILE A 57 -2.746 6.848 -1.296 1.00 0.00 C ATOM 809 CD1 ILE A 57 -5.106 4.965 -0.840 1.00 0.00 C ATOM 0 H ILE A 57 -6.204 6.859 -3.362 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.220 7.555 -0.694 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.651 6.981 -3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.233 5.156 -2.991 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.677 4.589 -2.419 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.962 6.167 -1.626 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.371 7.871 -1.319 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.043 6.593 -0.279 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.479 3.941 -0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.349 5.075 -0.063 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.930 5.651 -0.644 1.00 0.00 H new ATOM 821 N ASP A 58 -4.232 9.828 -1.020 1.00 0.00 N ATOM 822 CA ASP A 58 -3.794 11.246 -1.183 1.00 0.00 C ATOM 823 C ASP A 58 -2.393 11.402 -0.595 1.00 0.00 C ATOM 824 O ASP A 58 -1.606 12.210 -1.050 1.00 0.00 O ATOM 825 CB ASP A 58 -4.767 12.158 -0.434 1.00 0.00 C ATOM 826 CG ASP A 58 -4.562 13.609 -0.871 1.00 0.00 C ATOM 827 OD1 ASP A 58 -3.755 13.835 -1.756 1.00 0.00 O ATOM 828 OD2 ASP A 58 -5.219 14.472 -0.311 1.00 0.00 O ATOM 0 H ASP A 58 -4.193 9.479 -0.062 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.781 11.516 -2.239 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.794 11.851 -0.633 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.610 12.067 0.641 1.00 0.00 H new ATOM 833 N ALA A 59 -2.067 10.637 0.417 1.00 0.00 N ATOM 834 CA ALA A 59 -0.712 10.759 1.020 1.00 0.00 C ATOM 835 C ALA A 59 -0.341 9.481 1.772 1.00 0.00 C ATOM 836 O ALA A 59 -1.165 8.849 2.403 1.00 0.00 O ATOM 837 CB ALA A 59 -0.689 11.939 1.992 1.00 0.00 C ATOM 0 H ALA A 59 -2.677 9.941 0.846 1.00 0.00 H new ATOM 0 HA ALA A 59 0.011 10.921 0.220 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.304 12.028 2.433 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.931 12.857 1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.423 11.775 2.781 1.00 0.00 H new ATOM 843 N LEU A 60 0.911 9.110 1.710 1.00 0.00 N ATOM 844 CA LEU A 60 1.400 7.883 2.417 1.00 0.00 C ATOM 845 C LEU A 60 2.638 8.252 3.230 1.00 0.00 C ATOM 846 O LEU A 60 3.443 9.064 2.813 1.00 0.00 O ATOM 847 CB LEU A 60 1.764 6.809 1.379 1.00 0.00 C ATOM 848 CG LEU A 60 0.515 5.999 0.982 1.00 0.00 C ATOM 849 CD1 LEU A 60 0.704 5.386 -0.407 1.00 0.00 C ATOM 850 CD2 LEU A 60 0.300 4.861 1.985 1.00 0.00 C ATOM 0 H LEU A 60 1.630 9.613 1.190 1.00 0.00 H new ATOM 0 HA LEU A 60 0.625 7.494 3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.196 7.280 0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.523 6.142 1.788 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.345 6.668 0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.185 4.816 -0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.861 6.180 -1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.570 4.725 -0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.584 4.289 1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.171 4.206 1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.159 5.277 2.983 1.00 0.00 H new ATOM 862 N VAL A 61 2.800 7.676 4.393 1.00 0.00 N ATOM 863 CA VAL A 61 3.990 8.003 5.231 1.00 0.00 C ATOM 864 C VAL A 61 4.544 6.730 5.882 1.00 0.00 C ATOM 865 O VAL A 61 3.884 6.074 6.667 1.00 0.00 O ATOM 866 CB VAL A 61 3.576 9.007 6.309 1.00 0.00 C ATOM 867 CG1 VAL A 61 4.704 9.174 7.331 1.00 0.00 C ATOM 868 CG2 VAL A 61 3.287 10.356 5.646 1.00 0.00 C ATOM 0 H VAL A 61 2.159 6.993 4.798 1.00 0.00 H new ATOM 0 HA VAL A 61 4.770 8.437 4.605 1.00 0.00 H new ATOM 0 HB VAL A 61 2.685 8.643 6.821 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.400 9.890 8.094 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.916 8.213 7.799 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.600 9.538 6.828 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.991 11.079 6.406 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.183 10.711 5.137 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.481 10.240 4.922 1.00 0.00 H new ATOM 878 N TYR A 62 5.765 6.391 5.563 1.00 0.00 N ATOM 879 CA TYR A 62 6.413 5.184 6.155 1.00 0.00 C ATOM 880 C TYR A 62 7.875 5.545 6.464 1.00 0.00 C ATOM 881 O TYR A 62 8.663 5.715 5.556 1.00 0.00 O ATOM 882 CB TYR A 62 6.385 4.047 5.134 1.00 0.00 C ATOM 883 CG TYR A 62 7.074 2.821 5.706 1.00 0.00 C ATOM 884 CD1 TYR A 62 8.466 2.703 5.641 1.00 0.00 C ATOM 885 CD2 TYR A 62 6.317 1.809 6.312 1.00 0.00 C ATOM 886 CE1 TYR A 62 9.102 1.576 6.179 1.00 0.00 C ATOM 887 CE2 TYR A 62 6.952 0.682 6.846 1.00 0.00 C ATOM 888 CZ TYR A 62 8.345 0.566 6.781 1.00 0.00 C ATOM 889 OH TYR A 62 8.971 -0.541 7.315 1.00 0.00 O ATOM 0 H TYR A 62 6.350 6.908 4.907 1.00 0.00 H new ATOM 0 HA TYR A 62 5.891 4.870 7.059 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.354 3.807 4.873 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.882 4.359 4.216 1.00 0.00 H new ATOM 0 HD1 TYR A 62 9.052 3.482 5.175 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.242 1.899 6.367 1.00 0.00 H new ATOM 0 HE1 TYR A 62 10.177 1.487 6.129 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.367 -0.099 7.309 1.00 0.00 H new ATOM 0 HH TYR A 62 9.594 -0.914 6.657 1.00 0.00 H new ATOM 899 N PRO A 63 8.254 5.682 7.715 1.00 0.00 N ATOM 900 CA PRO A 63 9.659 6.041 8.067 1.00 0.00 C ATOM 901 C PRO A 63 10.689 5.182 7.317 1.00 0.00 C ATOM 902 O PRO A 63 10.853 4.007 7.583 1.00 0.00 O ATOM 903 CB PRO A 63 9.729 5.788 9.578 1.00 0.00 C ATOM 904 CG PRO A 63 8.327 5.976 10.066 1.00 0.00 C ATOM 905 CD PRO A 63 7.412 5.531 8.920 1.00 0.00 C ATOM 0 HA PRO A 63 9.899 7.067 7.789 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.091 4.783 9.794 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.413 6.484 10.064 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.144 5.384 10.963 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.143 7.018 10.329 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.081 4.501 9.050 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.516 6.149 8.861 1.00 0.00 H new ATOM 913 N LEU A 64 11.392 5.773 6.385 1.00 0.00 N ATOM 914 CA LEU A 64 12.419 5.021 5.610 1.00 0.00 C ATOM 915 C LEU A 64 13.726 4.957 6.414 1.00 0.00 C ATOM 916 O LEU A 64 14.661 4.273 6.044 1.00 0.00 O ATOM 917 CB LEU A 64 12.676 5.716 4.252 1.00 0.00 C ATOM 918 CG LEU A 64 12.549 7.257 4.350 1.00 0.00 C ATOM 919 CD1 LEU A 64 11.067 7.698 4.457 1.00 0.00 C ATOM 920 CD2 LEU A 64 13.367 7.789 5.543 1.00 0.00 C ATOM 0 H LEU A 64 11.296 6.755 6.127 1.00 0.00 H new ATOM 0 HA LEU A 64 12.055 4.010 5.426 1.00 0.00 H new ATOM 0 HB2 LEU A 64 13.673 5.457 3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.967 5.341 3.514 1.00 0.00 H new ATOM 0 HG LEU A 64 12.953 7.686 3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.015 8.785 4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.523 7.362 3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 64 10.620 7.258 5.348 1.00 0.00 H new ATOM 0 HD21 LEU A 64 13.267 8.873 5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 64 12.996 7.343 6.466 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.417 7.527 5.410 1.00 0.00 H new ATOM 932 N GLU A 65 13.788 5.671 7.507 1.00 0.00 N ATOM 933 CA GLU A 65 15.015 5.674 8.357 1.00 0.00 C ATOM 934 C GLU A 65 16.183 6.334 7.614 1.00 0.00 C ATOM 935 O GLU A 65 16.394 6.117 6.439 1.00 0.00 O ATOM 936 CB GLU A 65 15.390 4.236 8.740 1.00 0.00 C ATOM 937 CG GLU A 65 14.114 3.422 9.036 1.00 0.00 C ATOM 938 CD GLU A 65 14.422 2.323 10.059 1.00 0.00 C ATOM 939 OE1 GLU A 65 14.892 2.659 11.134 1.00 0.00 O ATOM 940 OE2 GLU A 65 14.179 1.168 9.752 1.00 0.00 O ATOM 0 H GLU A 65 13.030 6.260 7.851 1.00 0.00 H new ATOM 0 HA GLU A 65 14.808 6.246 9.262 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.950 3.769 7.930 1.00 0.00 H new ATOM 0 HB3 GLU A 65 16.040 4.241 9.615 1.00 0.00 H new ATOM 0 HG2 GLU A 65 13.334 4.079 9.419 1.00 0.00 H new ATOM 0 HG3 GLU A 65 13.734 2.978 8.116 1.00 0.00 H new ATOM 947 N HIS A 66 16.937 7.143 8.311 1.00 0.00 N ATOM 948 CA HIS A 66 18.101 7.837 7.688 1.00 0.00 C ATOM 949 C HIS A 66 19.053 8.286 8.802 1.00 0.00 C ATOM 950 O HIS A 66 20.251 8.361 8.624 1.00 0.00 O ATOM 951 CB HIS A 66 17.613 9.075 6.909 1.00 0.00 C ATOM 952 CG HIS A 66 17.296 8.701 5.486 1.00 0.00 C ATOM 953 ND1 HIS A 66 16.027 8.845 4.949 1.00 0.00 N ATOM 954 CD2 HIS A 66 18.076 8.189 4.480 1.00 0.00 C ATOM 955 CE1 HIS A 66 16.078 8.427 3.670 1.00 0.00 C ATOM 956 NE2 HIS A 66 17.304 8.019 3.338 1.00 0.00 N ATOM 0 H HIS A 66 16.793 7.355 9.298 1.00 0.00 H new ATOM 0 HA HIS A 66 18.611 7.161 7.002 1.00 0.00 H new ATOM 0 HB2 HIS A 66 16.727 9.490 7.390 1.00 0.00 H new ATOM 0 HB3 HIS A 66 18.379 9.850 6.927 1.00 0.00 H new ATOM 0 HD2 HIS A 66 19.127 7.955 4.563 1.00 0.00 H new ATOM 0 HE1 HIS A 66 15.233 8.423 2.998 1.00 0.00 H new ATOM 0 HE2 HIS A 66 17.610 7.658 2.435 1.00 0.00 H new ATOM 964 N HIS A 67 18.507 8.597 9.945 1.00 0.00 N ATOM 965 CA HIS A 67 19.341 9.064 11.092 1.00 0.00 C ATOM 966 C HIS A 67 20.617 8.217 11.215 1.00 0.00 C ATOM 967 O HIS A 67 20.645 7.226 11.915 1.00 0.00 O ATOM 968 CB HIS A 67 18.512 8.976 12.405 1.00 0.00 C ATOM 969 CG HIS A 67 17.290 8.117 12.193 1.00 0.00 C ATOM 970 ND1 HIS A 67 16.153 8.596 11.558 1.00 0.00 N ATOM 971 CD2 HIS A 67 17.011 6.814 12.528 1.00 0.00 C ATOM 972 CE1 HIS A 67 15.251 7.598 11.529 1.00 0.00 C ATOM 973 NE2 HIS A 67 15.724 6.493 12.107 1.00 0.00 N ATOM 0 H HIS A 67 17.506 8.547 10.137 1.00 0.00 H new ATOM 0 HA HIS A 67 19.635 10.099 10.917 1.00 0.00 H new ATOM 0 HB2 HIS A 67 19.125 8.558 13.203 1.00 0.00 H new ATOM 0 HB3 HIS A 67 18.213 9.975 12.722 1.00 0.00 H new ATOM 0 HD2 HIS A 67 17.686 6.143 13.039 1.00 0.00 H new ATOM 0 HE1 HIS A 67 14.267 7.681 11.092 1.00 0.00 H new ATOM 0 HE2 HIS A 67 15.243 5.600 12.217 1.00 0.00 H new ATOM 981 N HIS A 68 21.674 8.619 10.559 1.00 0.00 N ATOM 982 CA HIS A 68 22.953 7.858 10.659 1.00 0.00 C ATOM 983 C HIS A 68 24.070 8.627 9.951 1.00 0.00 C ATOM 984 O HIS A 68 24.602 8.175 8.957 1.00 0.00 O ATOM 985 CB HIS A 68 22.804 6.476 10.007 1.00 0.00 C ATOM 986 CG HIS A 68 23.957 5.609 10.433 1.00 0.00 C ATOM 987 ND1 HIS A 68 24.541 5.730 11.685 1.00 0.00 N ATOM 988 CD2 HIS A 68 24.654 4.612 9.791 1.00 0.00 C ATOM 989 CE1 HIS A 68 25.539 4.834 11.760 1.00 0.00 C ATOM 990 NE2 HIS A 68 25.650 4.128 10.633 1.00 0.00 N ATOM 0 H HIS A 68 21.706 9.442 9.958 1.00 0.00 H new ATOM 0 HA HIS A 68 23.201 7.734 11.713 1.00 0.00 H new ATOM 0 HB2 HIS A 68 21.860 6.019 10.303 1.00 0.00 H new ATOM 0 HB3 HIS A 68 22.785 6.572 8.921 1.00 0.00 H new ATOM 0 HD2 HIS A 68 24.458 4.260 8.789 1.00 0.00 H new ATOM 0 HE1 HIS A 68 26.173 4.702 12.625 1.00 0.00 H new ATOM 0 HE2 HIS A 68 26.323 3.389 10.431 1.00 0.00 H new ATOM 998 N HIS A 69 24.433 9.784 10.456 1.00 0.00 N ATOM 999 CA HIS A 69 25.527 10.590 9.817 1.00 0.00 C ATOM 1000 C HIS A 69 26.597 10.893 10.861 1.00 0.00 C ATOM 1001 O HIS A 69 26.308 11.056 12.029 1.00 0.00 O ATOM 1002 CB HIS A 69 24.970 11.912 9.282 1.00 0.00 C ATOM 1003 CG HIS A 69 23.666 11.665 8.583 1.00 0.00 C ATOM 1004 ND1 HIS A 69 23.309 10.413 8.105 1.00 0.00 N ATOM 1005 CD2 HIS A 69 22.623 12.501 8.268 1.00 0.00 C ATOM 1006 CE1 HIS A 69 22.097 10.528 7.534 1.00 0.00 C ATOM 1007 NE2 HIS A 69 21.637 11.779 7.608 1.00 0.00 N ATOM 0 H HIS A 69 24.018 10.207 11.286 1.00 0.00 H new ATOM 0 HA HIS A 69 25.952 10.019 8.991 1.00 0.00 H new ATOM 0 HB2 HIS A 69 24.827 12.616 10.102 1.00 0.00 H new ATOM 0 HB3 HIS A 69 25.683 12.366 8.593 1.00 0.00 H new ATOM 0 HD2 HIS A 69 22.577 13.555 8.498 1.00 0.00 H new ATOM 0 HE1 HIS A 69 21.563 9.710 7.073 1.00 0.00 H new ATOM 0 HE2 HIS A 69 20.748 12.131 7.254 1.00 0.00 H new ATOM 1015 N HIS A 70 27.829 10.977 10.452 1.00 0.00 N ATOM 1016 CA HIS A 70 28.903 11.277 11.431 1.00 0.00 C ATOM 1017 C HIS A 70 28.878 12.776 11.745 1.00 0.00 C ATOM 1018 O HIS A 70 29.280 13.610 10.957 1.00 0.00 O ATOM 1019 CB HIS A 70 30.268 10.857 10.848 1.00 0.00 C ATOM 1020 CG HIS A 70 30.791 9.640 11.573 1.00 0.00 C ATOM 1021 ND1 HIS A 70 32.100 9.555 12.022 1.00 0.00 N ATOM 1022 CD2 HIS A 70 30.182 8.473 11.967 1.00 0.00 C ATOM 1023 CE1 HIS A 70 32.236 8.376 12.657 1.00 0.00 C ATOM 1024 NE2 HIS A 70 31.098 7.681 12.651 1.00 0.00 N ATOM 0 H HIS A 70 28.137 10.852 9.488 1.00 0.00 H new ATOM 0 HA HIS A 70 28.743 10.719 12.353 1.00 0.00 H new ATOM 0 HB2 HIS A 70 30.167 10.640 9.785 1.00 0.00 H new ATOM 0 HB3 HIS A 70 30.979 11.678 10.940 1.00 0.00 H new ATOM 0 HD2 HIS A 70 29.152 8.211 11.775 1.00 0.00 H new ATOM 0 HE1 HIS A 70 33.153 8.035 13.115 1.00 0.00 H new ATOM 0 HE2 HIS A 70 30.934 6.762 13.062 1.00 0.00 H new ATOM 1032 N HIS A 71 28.410 13.095 12.906 1.00 0.00 N ATOM 1033 CA HIS A 71 28.326 14.514 13.355 1.00 0.00 C ATOM 1034 C HIS A 71 29.697 15.187 13.198 1.00 0.00 C ATOM 1035 O HIS A 71 30.659 14.662 13.733 1.00 0.00 O ATOM 1036 CB HIS A 71 27.867 14.546 14.836 1.00 0.00 C ATOM 1037 CG HIS A 71 28.105 13.198 15.479 1.00 0.00 C ATOM 1038 ND1 HIS A 71 27.219 12.645 16.395 1.00 0.00 N ATOM 1039 CD2 HIS A 71 29.111 12.273 15.330 1.00 0.00 C ATOM 1040 CE1 HIS A 71 27.704 11.440 16.757 1.00 0.00 C ATOM 1041 NE2 HIS A 71 28.853 11.169 16.136 1.00 0.00 N ATOM 1042 OXT HIS A 71 29.756 16.219 12.549 1.00 0.00 O ATOM 0 H HIS A 71 28.070 12.417 13.588 1.00 0.00 H new ATOM 0 HA HIS A 71 27.604 15.058 12.746 1.00 0.00 H new ATOM 0 HB2 HIS A 71 28.413 15.318 15.378 1.00 0.00 H new ATOM 0 HB3 HIS A 71 26.809 14.804 14.892 1.00 0.00 H new ATOM 0 HD2 HIS A 71 29.970 12.386 14.686 1.00 0.00 H new ATOM 0 HE1 HIS A 71 27.223 10.778 17.461 1.00 0.00 H new ATOM 0 HE2 HIS A 71 29.423 10.329 16.232 1.00 0.00 H new TER 1050 HIS A 71 ATOM 1051 N MET B 1 10.870 -17.614 8.150 1.00 0.00 N ATOM 1052 CA MET B 1 9.914 -16.789 8.943 1.00 0.00 C ATOM 1053 C MET B 1 8.776 -16.326 8.051 1.00 0.00 C ATOM 1054 O MET B 1 8.939 -16.097 6.870 1.00 0.00 O ATOM 1055 CB MET B 1 10.648 -15.576 9.524 1.00 0.00 C ATOM 1056 CG MET B 1 11.581 -14.991 8.463 1.00 0.00 C ATOM 1057 SD MET B 1 12.358 -13.487 9.102 1.00 0.00 S ATOM 1058 CE MET B 1 13.261 -13.046 7.597 1.00 0.00 C ATOM 0 H1 MET B 1 11.793 -17.632 8.629 1.00 0.00 H new ATOM 0 H2 MET B 1 10.505 -18.584 8.066 1.00 0.00 H new ATOM 0 H3 MET B 1 10.980 -17.202 7.201 1.00 0.00 H new ATOM 0 HA MET B 1 9.506 -17.387 9.758 1.00 0.00 H new ATOM 0 HB2 MET B 1 9.929 -14.823 9.847 1.00 0.00 H new ATOM 0 HB3 MET B 1 11.219 -15.870 10.404 1.00 0.00 H new ATOM 0 HG2 MET B 1 12.345 -15.721 8.193 1.00 0.00 H new ATOM 0 HG3 MET B 1 11.021 -14.766 7.556 1.00 0.00 H new ATOM 0 HE1 MET B 1 13.824 -12.128 7.766 1.00 0.00 H new ATOM 0 HE2 MET B 1 13.949 -13.850 7.337 1.00 0.00 H new ATOM 0 HE3 MET B 1 12.555 -12.894 6.781 1.00 0.00 H new ATOM 1070 N ASP B 2 7.608 -16.210 8.617 1.00 0.00 N ATOM 1071 CA ASP B 2 6.424 -15.790 7.827 1.00 0.00 C ATOM 1072 C ASP B 2 6.309 -14.259 7.811 1.00 0.00 C ATOM 1073 O ASP B 2 6.218 -13.618 8.838 1.00 0.00 O ATOM 1074 CB ASP B 2 5.178 -16.440 8.457 1.00 0.00 C ATOM 1075 CG ASP B 2 4.507 -15.506 9.476 1.00 0.00 C ATOM 1076 OD1 ASP B 2 3.719 -14.673 9.057 1.00 0.00 O ATOM 1077 OD2 ASP B 2 4.788 -15.645 10.654 1.00 0.00 O ATOM 0 H ASP B 2 7.424 -16.391 9.604 1.00 0.00 H new ATOM 0 HA ASP B 2 6.520 -16.115 6.791 1.00 0.00 H new ATOM 0 HB2 ASP B 2 4.465 -16.697 7.673 1.00 0.00 H new ATOM 0 HB3 ASP B 2 5.461 -17.371 8.948 1.00 0.00 H new ATOM 1082 N ASN B 3 6.319 -13.680 6.646 1.00 0.00 N ATOM 1083 CA ASN B 3 6.209 -12.196 6.539 1.00 0.00 C ATOM 1084 C ASN B 3 5.782 -11.815 5.119 1.00 0.00 C ATOM 1085 O ASN B 3 5.810 -10.659 4.744 1.00 0.00 O ATOM 1086 CB ASN B 3 7.570 -11.568 6.830 1.00 0.00 C ATOM 1087 CG ASN B 3 8.640 -12.289 6.013 1.00 0.00 C ATOM 1088 OD1 ASN B 3 8.883 -13.464 6.211 1.00 0.00 O ATOM 1089 ND2 ASN B 3 9.285 -11.635 5.090 1.00 0.00 N ATOM 0 H ASN B 3 6.399 -14.172 5.756 1.00 0.00 H new ATOM 0 HA ASN B 3 5.470 -11.836 7.255 1.00 0.00 H new ATOM 0 HB2 ASN B 3 7.556 -10.508 6.578 1.00 0.00 H new ATOM 0 HB3 ASN B 3 7.797 -11.640 7.894 1.00 0.00 H new ATOM 0 HD21 ASN B 3 9.995 -12.108 4.532 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.080 -10.650 4.925 1.00 0.00 H new ATOM 1096 N ARG B 4 5.404 -12.775 4.321 1.00 0.00 N ATOM 1097 CA ARG B 4 5.002 -12.467 2.920 1.00 0.00 C ATOM 1098 C ARG B 4 3.682 -11.699 2.913 1.00 0.00 C ATOM 1099 O ARG B 4 2.799 -11.949 3.710 1.00 0.00 O ATOM 1100 CB ARG B 4 4.834 -13.779 2.144 1.00 0.00 C ATOM 1101 CG ARG B 4 6.135 -14.601 2.199 1.00 0.00 C ATOM 1102 CD ARG B 4 7.145 -14.085 1.165 1.00 0.00 C ATOM 1103 NE ARG B 4 6.589 -14.279 -0.201 1.00 0.00 N ATOM 1104 CZ ARG B 4 6.594 -15.468 -0.736 1.00 0.00 C ATOM 1105 NH1 ARG B 4 7.089 -16.478 -0.073 1.00 0.00 N ATOM 1106 NH2 ARG B 4 6.103 -15.650 -1.930 1.00 0.00 N ATOM 0 H ARG B 4 5.356 -13.761 4.579 1.00 0.00 H new ATOM 0 HA ARG B 4 5.772 -11.855 2.450 1.00 0.00 H new ATOM 0 HB2 ARG B 4 4.012 -14.357 2.567 1.00 0.00 H new ATOM 0 HB3 ARG B 4 4.574 -13.566 1.107 1.00 0.00 H new ATOM 0 HG2 ARG B 4 6.567 -14.542 3.198 1.00 0.00 H new ATOM 0 HG3 ARG B 4 5.916 -15.652 2.008 1.00 0.00 H new ATOM 0 HD2 ARG B 4 7.354 -13.030 1.339 1.00 0.00 H new ATOM 0 HD3 ARG B 4 8.090 -14.618 1.265 1.00 0.00 H new ATOM 0 HE ARG B 4 6.206 -13.486 -0.716 1.00 0.00 H new ATOM 0 HH11 ARG B 4 7.471 -16.336 0.862 1.00 0.00 H new ATOM 0 HH12 ARG B 4 7.094 -17.409 -0.490 1.00 0.00 H new ATOM 0 HH21 ARG B 4 5.714 -14.862 -2.447 1.00 0.00 H new ATOM 0 HH22 ARG B 4 6.108 -16.581 -2.347 1.00 0.00 H new ATOM 1120 N GLN B 5 3.547 -10.754 2.015 1.00 0.00 N ATOM 1121 CA GLN B 5 2.291 -9.949 1.947 1.00 0.00 C ATOM 1122 C GLN B 5 1.914 -9.710 0.484 1.00 0.00 C ATOM 1123 O GLN B 5 2.761 -9.605 -0.380 1.00 0.00 O ATOM 1124 CB GLN B 5 2.520 -8.603 2.636 1.00 0.00 C ATOM 1125 CG GLN B 5 2.711 -8.839 4.132 1.00 0.00 C ATOM 1126 CD GLN B 5 2.958 -7.509 4.842 1.00 0.00 C ATOM 1127 OE1 GLN B 5 3.952 -6.853 4.602 1.00 0.00 O ATOM 1128 NE2 GLN B 5 2.086 -7.083 5.713 1.00 0.00 N ATOM 0 H GLN B 5 4.256 -10.506 1.325 1.00 0.00 H new ATOM 0 HA GLN B 5 1.485 -10.488 2.446 1.00 0.00 H new ATOM 0 HB2 GLN B 5 3.397 -8.110 2.217 1.00 0.00 H new ATOM 0 HB3 GLN B 5 1.670 -7.942 2.464 1.00 0.00 H new ATOM 0 HG2 GLN B 5 1.828 -9.324 4.548 1.00 0.00 H new ATOM 0 HG3 GLN B 5 3.553 -9.511 4.298 1.00 0.00 H new ATOM 0 HE21 GLN B 5 1.252 -7.636 5.912 1.00 0.00 H new ATOM 0 HE22 GLN B 5 2.238 -6.197 6.195 1.00 0.00 H new ATOM 1137 N PHE B 6 0.641 -9.621 0.207 1.00 0.00 N ATOM 1138 CA PHE B 6 0.177 -9.381 -1.191 1.00 0.00 C ATOM 1139 C PHE B 6 -0.253 -7.924 -1.303 1.00 0.00 C ATOM 1140 O PHE B 6 -1.149 -7.490 -0.611 1.00 0.00 O ATOM 1141 CB PHE B 6 -1.032 -10.272 -1.480 1.00 0.00 C ATOM 1142 CG PHE B 6 -0.658 -11.718 -1.268 1.00 0.00 C ATOM 1143 CD1 PHE B 6 -0.661 -12.254 0.024 1.00 0.00 C ATOM 1144 CD2 PHE B 6 -0.315 -12.523 -2.361 1.00 0.00 C ATOM 1145 CE1 PHE B 6 -0.319 -13.597 0.226 1.00 0.00 C ATOM 1146 CE2 PHE B 6 0.026 -13.865 -2.160 1.00 0.00 C ATOM 1147 CZ PHE B 6 0.023 -14.402 -0.866 1.00 0.00 C ATOM 0 H PHE B 6 -0.106 -9.705 0.897 1.00 0.00 H new ATOM 0 HA PHE B 6 0.976 -9.604 -1.898 1.00 0.00 H new ATOM 0 HB2 PHE B 6 -1.861 -10.001 -0.826 1.00 0.00 H new ATOM 0 HB3 PHE B 6 -1.372 -10.120 -2.505 1.00 0.00 H new ATOM 0 HD1 PHE B 6 -0.927 -11.632 0.866 1.00 0.00 H new ATOM 0 HD2 PHE B 6 -0.314 -12.108 -3.358 1.00 0.00 H new ATOM 0 HE1 PHE B 6 -0.319 -14.011 1.224 1.00 0.00 H new ATOM 0 HE2 PHE B 6 0.291 -14.487 -3.002 1.00 0.00 H new ATOM 0 HZ PHE B 6 0.285 -15.438 -0.711 1.00 0.00 H new ATOM 1157 N LEU B 7 0.375 -7.158 -2.163 1.00 0.00 N ATOM 1158 CA LEU B 7 -0.007 -5.715 -2.310 1.00 0.00 C ATOM 1159 C LEU B 7 -0.474 -5.478 -3.742 1.00 0.00 C ATOM 1160 O LEU B 7 0.251 -5.710 -4.690 1.00 0.00 O ATOM 1161 CB LEU B 7 1.216 -4.839 -2.008 1.00 0.00 C ATOM 1162 CG LEU B 7 0.785 -3.381 -1.766 1.00 0.00 C ATOM 1163 CD1 LEU B 7 1.937 -2.621 -1.102 1.00 0.00 C ATOM 1164 CD2 LEU B 7 0.405 -2.697 -3.096 1.00 0.00 C ATOM 0 H LEU B 7 1.135 -7.468 -2.769 1.00 0.00 H new ATOM 0 HA LEU B 7 -0.809 -5.461 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU B 7 1.737 -5.221 -1.130 1.00 0.00 H new ATOM 0 HB3 LEU B 7 1.918 -4.884 -2.841 1.00 0.00 H new ATOM 0 HG LEU B 7 -0.089 -3.373 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.638 -1.587 -0.928 1.00 0.00 H new ATOM 0 HD12 LEU B 7 2.184 -3.093 -0.151 1.00 0.00 H new ATOM 0 HD13 LEU B 7 2.810 -2.641 -1.754 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.103 -1.668 -2.903 1.00 0.00 H new ATOM 0 HD22 LEU B 7 1.264 -2.704 -3.767 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.421 -3.236 -3.559 1.00 0.00 H new ATOM 1176 N SER B 8 -1.689 -5.024 -3.906 1.00 0.00 N ATOM 1177 CA SER B 8 -2.237 -4.770 -5.273 1.00 0.00 C ATOM 1178 C SER B 8 -2.895 -3.394 -5.301 1.00 0.00 C ATOM 1179 O SER B 8 -3.376 -2.907 -4.298 1.00 0.00 O ATOM 1180 CB SER B 8 -3.283 -5.831 -5.602 1.00 0.00 C ATOM 1181 OG SER B 8 -2.656 -7.106 -5.654 1.00 0.00 O ATOM 0 H SER B 8 -2.333 -4.816 -3.143 1.00 0.00 H new ATOM 0 HA SER B 8 -1.430 -4.809 -6.005 1.00 0.00 H new ATOM 0 HB2 SER B 8 -4.069 -5.830 -4.847 1.00 0.00 H new ATOM 0 HB3 SER B 8 -3.758 -5.607 -6.557 1.00 0.00 H new ATOM 0 HG SER B 8 -3.331 -7.807 -5.543 1.00 0.00 H new ATOM 1187 N LEU B 9 -2.916 -2.756 -6.439 1.00 0.00 N ATOM 1188 CA LEU B 9 -3.541 -1.403 -6.523 1.00 0.00 C ATOM 1189 C LEU B 9 -4.172 -1.216 -7.907 1.00 0.00 C ATOM 1190 O LEU B 9 -3.711 -1.768 -8.893 1.00 0.00 O ATOM 1191 CB LEU B 9 -2.471 -0.328 -6.298 1.00 0.00 C ATOM 1192 CG LEU B 9 -3.135 1.033 -6.003 1.00 0.00 C ATOM 1193 CD1 LEU B 9 -3.464 1.154 -4.505 1.00 0.00 C ATOM 1194 CD2 LEU B 9 -2.185 2.169 -6.405 1.00 0.00 C ATOM 0 H LEU B 9 -2.529 -3.111 -7.313 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.312 -1.312 -5.758 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.827 -0.614 -5.466 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.836 -0.247 -7.180 1.00 0.00 H new ATOM 0 HG LEU B 9 -4.058 1.103 -6.578 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -3.932 2.119 -4.312 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -4.148 0.355 -4.217 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -2.546 1.073 -3.923 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -2.657 3.129 -6.196 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -1.259 2.088 -5.836 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -1.963 2.098 -7.470 1.00 0.00 H new ATOM 1206 N THR B 10 -5.232 -0.445 -7.983 1.00 0.00 N ATOM 1207 CA THR B 10 -5.919 -0.206 -9.294 1.00 0.00 C ATOM 1208 C THR B 10 -6.093 1.298 -9.516 1.00 0.00 C ATOM 1209 O THR B 10 -5.984 2.090 -8.600 1.00 0.00 O ATOM 1210 CB THR B 10 -7.301 -0.863 -9.275 1.00 0.00 C ATOM 1211 OG1 THR B 10 -8.223 0.000 -8.627 1.00 0.00 O ATOM 1212 CG2 THR B 10 -7.227 -2.190 -8.521 1.00 0.00 C ATOM 0 H THR B 10 -5.654 0.033 -7.187 1.00 0.00 H new ATOM 0 HA THR B 10 -5.315 -0.632 -10.096 1.00 0.00 H new ATOM 0 HB THR B 10 -7.630 -1.047 -10.298 1.00 0.00 H new ATOM 0 HG1 THR B 10 -9.133 -0.340 -8.753 1.00 0.00 H new ATOM 0 HG21 THR B 10 -8.212 -2.657 -8.508 1.00 0.00 H new ATOM 0 HG22 THR B 10 -6.518 -2.852 -9.018 1.00 0.00 H new ATOM 0 HG23 THR B 10 -6.898 -2.009 -7.498 1.00 0.00 H new ATOM 1220 N GLY B 11 -6.369 1.699 -10.730 1.00 0.00 N ATOM 1221 CA GLY B 11 -6.555 3.150 -11.015 1.00 0.00 C ATOM 1222 C GLY B 11 -5.195 3.841 -11.084 1.00 0.00 C ATOM 1223 O GLY B 11 -5.071 5.011 -10.778 1.00 0.00 O ATOM 0 H GLY B 11 -6.473 1.082 -11.536 1.00 0.00 H new ATOM 0 HA2 GLY B 11 -7.088 3.280 -11.957 1.00 0.00 H new ATOM 0 HA3 GLY B 11 -7.167 3.607 -10.237 1.00 0.00 H new ATOM 1227 N VAL B 12 -4.172 3.133 -11.477 1.00 0.00 N ATOM 1228 CA VAL B 12 -2.824 3.761 -11.552 1.00 0.00 C ATOM 1229 C VAL B 12 -2.809 4.833 -12.643 1.00 0.00 C ATOM 1230 O VAL B 12 -3.248 4.615 -13.754 1.00 0.00 O ATOM 1231 CB VAL B 12 -1.781 2.689 -11.869 1.00 0.00 C ATOM 1232 CG1 VAL B 12 -0.413 3.343 -12.075 1.00 0.00 C ATOM 1233 CG2 VAL B 12 -1.706 1.700 -10.706 1.00 0.00 C ATOM 0 H VAL B 12 -4.211 2.151 -11.748 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.589 4.226 -10.594 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.066 2.163 -12.780 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.327 2.575 -12.301 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -0.468 4.049 -12.904 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.122 3.872 -11.167 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.963 0.933 -10.928 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.421 2.229 -9.796 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.680 1.231 -10.564 1.00 0.00 H new ATOM 1243 N SER B 13 -2.312 5.995 -12.320 1.00 0.00 N ATOM 1244 CA SER B 13 -2.261 7.105 -13.307 1.00 0.00 C ATOM 1245 C SER B 13 -1.165 6.852 -14.347 1.00 0.00 C ATOM 1246 O SER B 13 -1.338 7.130 -15.516 1.00 0.00 O ATOM 1247 CB SER B 13 -1.967 8.410 -12.569 1.00 0.00 C ATOM 1248 OG SER B 13 -3.091 8.761 -11.772 1.00 0.00 O ATOM 0 H SER B 13 -1.934 6.223 -11.400 1.00 0.00 H new ATOM 0 HA SER B 13 -3.220 7.168 -13.821 1.00 0.00 H new ATOM 0 HB2 SER B 13 -1.083 8.296 -11.942 1.00 0.00 H new ATOM 0 HB3 SER B 13 -1.750 9.205 -13.283 1.00 0.00 H new ATOM 0 HG SER B 13 -3.432 9.636 -12.054 1.00 0.00 H new ATOM 1254 N LYS B 14 -0.029 6.349 -13.935 1.00 0.00 N ATOM 1255 CA LYS B 14 1.068 6.113 -14.918 1.00 0.00 C ATOM 1256 C LYS B 14 2.054 5.078 -14.362 1.00 0.00 C ATOM 1257 O LYS B 14 2.159 4.871 -13.170 1.00 0.00 O ATOM 1258 CB LYS B 14 1.780 7.466 -15.193 1.00 0.00 C ATOM 1259 CG LYS B 14 3.311 7.303 -15.302 1.00 0.00 C ATOM 1260 CD LYS B 14 3.951 8.651 -15.606 1.00 0.00 C ATOM 1261 CE LYS B 14 5.458 8.465 -15.781 1.00 0.00 C ATOM 1262 NZ LYS B 14 6.084 9.771 -16.123 1.00 0.00 N ATOM 0 H LYS B 14 0.184 6.094 -12.971 1.00 0.00 H new ATOM 0 HA LYS B 14 0.664 5.721 -15.851 1.00 0.00 H new ATOM 0 HB2 LYS B 14 1.395 7.897 -16.117 1.00 0.00 H new ATOM 0 HB3 LYS B 14 1.546 8.168 -14.392 1.00 0.00 H new ATOM 0 HG2 LYS B 14 3.711 6.902 -14.371 1.00 0.00 H new ATOM 0 HG3 LYS B 14 3.555 6.588 -16.088 1.00 0.00 H new ATOM 0 HD2 LYS B 14 3.518 9.077 -16.511 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.751 9.353 -14.796 1.00 0.00 H new ATOM 0 HE2 LYS B 14 5.895 8.069 -14.864 1.00 0.00 H new ATOM 0 HE3 LYS B 14 5.656 7.738 -16.568 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 7.109 9.644 -16.242 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 5.675 10.131 -17.009 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 5.906 10.452 -15.358 1.00 0.00 H new ATOM 1276 N VAL B 15 2.796 4.451 -15.237 1.00 0.00 N ATOM 1277 CA VAL B 15 3.815 3.449 -14.808 1.00 0.00 C ATOM 1278 C VAL B 15 5.201 4.090 -14.906 1.00 0.00 C ATOM 1279 O VAL B 15 5.773 4.195 -15.974 1.00 0.00 O ATOM 1280 CB VAL B 15 3.726 2.236 -15.735 1.00 0.00 C ATOM 1281 CG1 VAL B 15 4.868 1.266 -15.442 1.00 0.00 C ATOM 1282 CG2 VAL B 15 2.390 1.531 -15.499 1.00 0.00 C ATOM 0 H VAL B 15 2.738 4.593 -16.245 1.00 0.00 H new ATOM 0 HA VAL B 15 3.638 3.130 -13.781 1.00 0.00 H new ATOM 0 HB VAL B 15 3.800 2.566 -16.771 1.00 0.00 H new ATOM 0 HG11 VAL B 15 4.795 0.406 -16.108 1.00 0.00 H new ATOM 0 HG12 VAL B 15 5.822 1.768 -15.602 1.00 0.00 H new ATOM 0 HG13 VAL B 15 4.804 0.930 -14.407 1.00 0.00 H new ATOM 0 HG21 VAL B 15 2.315 0.664 -16.155 1.00 0.00 H new ATOM 0 HG22 VAL B 15 2.328 1.207 -14.460 1.00 0.00 H new ATOM 0 HG23 VAL B 15 1.573 2.219 -15.713 1.00 0.00 H new ATOM 1292 N GLN B 16 5.738 4.539 -13.802 1.00 0.00 N ATOM 1293 CA GLN B 16 7.077 5.197 -13.830 1.00 0.00 C ATOM 1294 C GLN B 16 8.170 4.176 -14.152 1.00 0.00 C ATOM 1295 O GLN B 16 9.001 4.400 -15.010 1.00 0.00 O ATOM 1296 CB GLN B 16 7.351 5.841 -12.469 1.00 0.00 C ATOM 1297 CG GLN B 16 8.701 6.564 -12.504 1.00 0.00 C ATOM 1298 CD GLN B 16 8.865 7.398 -11.233 1.00 0.00 C ATOM 1299 OE1 GLN B 16 8.852 6.873 -10.138 1.00 0.00 O ATOM 1300 NE2 GLN B 16 9.019 8.689 -11.332 1.00 0.00 N ATOM 0 H GLN B 16 5.306 4.478 -12.880 1.00 0.00 H new ATOM 0 HA GLN B 16 7.081 5.962 -14.606 1.00 0.00 H new ATOM 0 HB2 GLN B 16 6.556 6.545 -12.222 1.00 0.00 H new ATOM 0 HB3 GLN B 16 7.355 5.079 -11.689 1.00 0.00 H new ATOM 0 HG2 GLN B 16 9.512 5.840 -12.584 1.00 0.00 H new ATOM 0 HG3 GLN B 16 8.759 7.206 -13.383 1.00 0.00 H new ATOM 0 HE21 GLN B 16 9.030 9.132 -12.251 1.00 0.00 H new ATOM 0 HE22 GLN B 16 9.128 9.256 -10.491 1.00 0.00 H new ATOM 1309 N SER B 17 8.189 3.059 -13.474 1.00 0.00 N ATOM 1310 CA SER B 17 9.246 2.049 -13.761 1.00 0.00 C ATOM 1311 C SER B 17 8.939 0.742 -13.032 1.00 0.00 C ATOM 1312 O SER B 17 8.395 0.740 -11.945 1.00 0.00 O ATOM 1313 CB SER B 17 10.599 2.579 -13.288 1.00 0.00 C ATOM 1314 OG SER B 17 11.616 1.658 -13.659 1.00 0.00 O ATOM 0 H SER B 17 7.526 2.805 -12.742 1.00 0.00 H new ATOM 0 HA SER B 17 9.273 1.863 -14.835 1.00 0.00 H new ATOM 0 HB2 SER B 17 10.796 3.555 -13.731 1.00 0.00 H new ATOM 0 HB3 SER B 17 10.592 2.716 -12.207 1.00 0.00 H new ATOM 0 HG SER B 17 12.487 1.994 -13.360 1.00 0.00 H new ATOM 1320 N PHE B 18 9.293 -0.372 -13.627 1.00 0.00 N ATOM 1321 CA PHE B 18 9.044 -1.706 -12.986 1.00 0.00 C ATOM 1322 C PHE B 18 10.375 -2.414 -12.724 1.00 0.00 C ATOM 1323 O PHE B 18 11.040 -2.861 -13.637 1.00 0.00 O ATOM 1324 CB PHE B 18 8.167 -2.571 -13.921 1.00 0.00 C ATOM 1325 CG PHE B 18 6.728 -2.537 -13.460 1.00 0.00 C ATOM 1326 CD1 PHE B 18 6.371 -3.198 -12.280 1.00 0.00 C ATOM 1327 CD2 PHE B 18 5.759 -1.853 -14.201 1.00 0.00 C ATOM 1328 CE1 PHE B 18 5.046 -3.178 -11.839 1.00 0.00 C ATOM 1329 CE2 PHE B 18 4.430 -1.832 -13.760 1.00 0.00 C ATOM 1330 CZ PHE B 18 4.074 -2.495 -12.577 1.00 0.00 C ATOM 0 H PHE B 18 9.749 -0.416 -14.539 1.00 0.00 H new ATOM 0 HA PHE B 18 8.527 -1.559 -12.037 1.00 0.00 H new ATOM 0 HB2 PHE B 18 8.238 -2.202 -14.944 1.00 0.00 H new ATOM 0 HB3 PHE B 18 8.531 -3.598 -13.927 1.00 0.00 H new ATOM 0 HD1 PHE B 18 7.121 -3.725 -11.709 1.00 0.00 H new ATOM 0 HD2 PHE B 18 6.035 -1.342 -15.112 1.00 0.00 H new ATOM 0 HE1 PHE B 18 4.772 -3.690 -10.928 1.00 0.00 H new ATOM 0 HE2 PHE B 18 3.680 -1.305 -14.331 1.00 0.00 H new ATOM 0 HZ PHE B 18 3.049 -2.478 -12.236 1.00 0.00 H new ATOM 1340 N ASP B 19 10.750 -2.538 -11.478 1.00 0.00 N ATOM 1341 CA ASP B 19 12.017 -3.245 -11.121 1.00 0.00 C ATOM 1342 C ASP B 19 11.700 -4.208 -9.952 1.00 0.00 C ATOM 1343 O ASP B 19 11.277 -3.764 -8.903 1.00 0.00 O ATOM 1344 CB ASP B 19 13.086 -2.204 -10.698 1.00 0.00 C ATOM 1345 CG ASP B 19 14.398 -2.443 -11.463 1.00 0.00 C ATOM 1346 OD1 ASP B 19 14.376 -2.359 -12.682 1.00 0.00 O ATOM 1347 OD2 ASP B 19 15.397 -2.706 -10.817 1.00 0.00 O ATOM 0 H ASP B 19 10.226 -2.175 -10.682 1.00 0.00 H new ATOM 0 HA ASP B 19 12.408 -3.806 -11.970 1.00 0.00 H new ATOM 0 HB2 ASP B 19 12.720 -1.196 -10.896 1.00 0.00 H new ATOM 0 HB3 ASP B 19 13.265 -2.273 -9.625 1.00 0.00 H new ATOM 1352 N PRO B 20 11.893 -5.506 -10.101 1.00 0.00 N ATOM 1353 CA PRO B 20 11.604 -6.469 -8.997 1.00 0.00 C ATOM 1354 C PRO B 20 12.259 -6.027 -7.681 1.00 0.00 C ATOM 1355 O PRO B 20 11.787 -6.337 -6.606 1.00 0.00 O ATOM 1356 CB PRO B 20 12.215 -7.794 -9.485 1.00 0.00 C ATOM 1357 CG PRO B 20 12.227 -7.694 -10.978 1.00 0.00 C ATOM 1358 CD PRO B 20 12.372 -6.205 -11.315 1.00 0.00 C ATOM 0 HA PRO B 20 10.537 -6.544 -8.788 1.00 0.00 H new ATOM 0 HB2 PRO B 20 13.222 -7.932 -9.091 1.00 0.00 H new ATOM 0 HB3 PRO B 20 11.623 -8.647 -9.152 1.00 0.00 H new ATOM 0 HG2 PRO B 20 13.052 -8.269 -11.398 1.00 0.00 H new ATOM 0 HG3 PRO B 20 11.308 -8.100 -11.401 1.00 0.00 H new ATOM 0 HD2 PRO B 20 13.407 -5.947 -11.540 1.00 0.00 H new ATOM 0 HD3 PRO B 20 11.779 -5.936 -12.189 1.00 0.00 H new ATOM 1366 N LYS B 21 13.338 -5.296 -7.767 1.00 0.00 N ATOM 1367 CA LYS B 21 14.032 -4.818 -6.535 1.00 0.00 C ATOM 1368 C LYS B 21 13.531 -3.412 -6.197 1.00 0.00 C ATOM 1369 O LYS B 21 13.868 -2.847 -5.173 1.00 0.00 O ATOM 1370 CB LYS B 21 15.540 -4.787 -6.792 1.00 0.00 C ATOM 1371 CG LYS B 21 16.025 -6.182 -7.169 1.00 0.00 C ATOM 1372 CD LYS B 21 15.785 -7.146 -5.995 1.00 0.00 C ATOM 1373 CE LYS B 21 16.801 -8.272 -6.063 1.00 0.00 C ATOM 1374 NZ LYS B 21 16.526 -9.263 -4.986 1.00 0.00 N ATOM 0 H LYS B 21 13.772 -5.007 -8.644 1.00 0.00 H new ATOM 0 HA LYS B 21 13.823 -5.487 -5.700 1.00 0.00 H new ATOM 0 HB2 LYS B 21 15.768 -4.083 -7.593 1.00 0.00 H new ATOM 0 HB3 LYS B 21 16.063 -4.438 -5.902 1.00 0.00 H new ATOM 0 HG2 LYS B 21 15.498 -6.534 -8.056 1.00 0.00 H new ATOM 0 HG3 LYS B 21 17.086 -6.154 -7.419 1.00 0.00 H new ATOM 0 HD2 LYS B 21 15.875 -6.615 -5.047 1.00 0.00 H new ATOM 0 HD3 LYS B 21 14.773 -7.549 -6.040 1.00 0.00 H new ATOM 0 HE2 LYS B 21 16.755 -8.758 -7.038 1.00 0.00 H new ATOM 0 HE3 LYS B 21 17.809 -7.872 -5.954 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 17.224 -10.033 -5.036 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 16.592 -8.796 -4.059 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 15.570 -9.654 -5.110 1.00 0.00 H new ATOM 1388 N GLU B 22 12.719 -2.857 -7.052 1.00 0.00 N ATOM 1389 CA GLU B 22 12.161 -1.496 -6.807 1.00 0.00 C ATOM 1390 C GLU B 22 11.078 -1.211 -7.849 1.00 0.00 C ATOM 1391 O GLU B 22 11.350 -1.129 -9.028 1.00 0.00 O ATOM 1392 CB GLU B 22 13.276 -0.443 -6.902 1.00 0.00 C ATOM 1393 CG GLU B 22 12.660 0.965 -6.953 1.00 0.00 C ATOM 1394 CD GLU B 22 13.715 2.012 -6.580 1.00 0.00 C ATOM 1395 OE1 GLU B 22 14.867 1.642 -6.440 1.00 0.00 O ATOM 1396 OE2 GLU B 22 13.347 3.168 -6.442 1.00 0.00 O ATOM 0 H GLU B 22 12.414 -3.293 -7.922 1.00 0.00 H new ATOM 0 HA GLU B 22 11.729 -1.451 -5.807 1.00 0.00 H new ATOM 0 HB2 GLU B 22 13.943 -0.527 -6.044 1.00 0.00 H new ATOM 0 HB3 GLU B 22 13.879 -0.618 -7.793 1.00 0.00 H new ATOM 0 HG2 GLU B 22 12.274 1.166 -7.952 1.00 0.00 H new ATOM 0 HG3 GLU B 22 11.816 1.027 -6.266 1.00 0.00 H new ATOM 1403 N ILE B 23 9.849 -1.057 -7.424 1.00 0.00 N ATOM 1404 CA ILE B 23 8.738 -0.773 -8.387 1.00 0.00 C ATOM 1405 C ILE B 23 8.187 0.623 -8.119 1.00 0.00 C ATOM 1406 O ILE B 23 7.828 0.956 -7.009 1.00 0.00 O ATOM 1407 CB ILE B 23 7.627 -1.805 -8.200 1.00 0.00 C ATOM 1408 CG1 ILE B 23 8.165 -3.188 -8.579 1.00 0.00 C ATOM 1409 CG2 ILE B 23 6.439 -1.445 -9.097 1.00 0.00 C ATOM 1410 CD1 ILE B 23 7.154 -4.265 -8.188 1.00 0.00 C ATOM 0 H ILE B 23 9.565 -1.116 -6.446 1.00 0.00 H new ATOM 0 HA ILE B 23 9.114 -0.828 -9.409 1.00 0.00 H new ATOM 0 HB ILE B 23 7.298 -1.813 -7.161 1.00 0.00 H new ATOM 0 HG12 ILE B 23 8.359 -3.231 -9.651 1.00 0.00 H new ATOM 0 HG13 ILE B 23 9.115 -3.369 -8.076 1.00 0.00 H new ATOM 0 HG21 ILE B 23 5.646 -2.181 -8.964 1.00 0.00 H new ATOM 0 HG22 ILE B 23 6.066 -0.457 -8.827 1.00 0.00 H new ATOM 0 HG23 ILE B 23 6.758 -1.440 -10.139 1.00 0.00 H new ATOM 0 HD11 ILE B 23 7.544 -5.246 -8.461 1.00 0.00 H new ATOM 0 HD12 ILE B 23 6.982 -4.229 -7.112 1.00 0.00 H new ATOM 0 HD13 ILE B 23 6.214 -4.089 -8.712 1.00 0.00 H new ATOM 1422 N LEU B 24 8.135 1.448 -9.135 1.00 0.00 N ATOM 1423 CA LEU B 24 7.625 2.842 -8.966 1.00 0.00 C ATOM 1424 C LEU B 24 6.400 3.038 -9.858 1.00 0.00 C ATOM 1425 O LEU B 24 6.446 2.788 -11.046 1.00 0.00 O ATOM 1426 CB LEU B 24 8.718 3.816 -9.403 1.00 0.00 C ATOM 1427 CG LEU B 24 10.023 3.490 -8.669 1.00 0.00 C ATOM 1428 CD1 LEU B 24 11.125 4.445 -9.131 1.00 0.00 C ATOM 1429 CD2 LEU B 24 9.817 3.631 -7.155 1.00 0.00 C ATOM 0 H LEU B 24 8.427 1.212 -10.083 1.00 0.00 H new ATOM 0 HA LEU B 24 7.355 3.019 -7.925 1.00 0.00 H new ATOM 0 HB2 LEU B 24 8.869 3.749 -10.480 1.00 0.00 H new ATOM 0 HB3 LEU B 24 8.414 4.840 -9.187 1.00 0.00 H new ATOM 0 HG LEU B 24 10.316 2.465 -8.896 1.00 0.00 H new ATOM 0 HD11 LEU B 24 12.052 4.211 -8.608 1.00 0.00 H new ATOM 0 HD12 LEU B 24 11.276 4.334 -10.205 1.00 0.00 H new ATOM 0 HD13 LEU B 24 10.833 5.472 -8.910 1.00 0.00 H new ATOM 0 HD21 LEU B 24 10.748 3.398 -6.638 1.00 0.00 H new ATOM 0 HD22 LEU B 24 9.518 4.653 -6.922 1.00 0.00 H new ATOM 0 HD23 LEU B 24 9.038 2.942 -6.828 1.00 0.00 H new ATOM 1441 N LEU B 25 5.304 3.480 -9.300 1.00 0.00 N ATOM 1442 CA LEU B 25 4.071 3.695 -10.121 1.00 0.00 C ATOM 1443 C LEU B 25 3.447 5.032 -9.738 1.00 0.00 C ATOM 1444 O LEU B 25 3.140 5.280 -8.587 1.00 0.00 O ATOM 1445 CB LEU B 25 3.072 2.563 -9.852 1.00 0.00 C ATOM 1446 CG LEU B 25 3.662 1.218 -10.304 1.00 0.00 C ATOM 1447 CD1 LEU B 25 2.756 0.083 -9.822 1.00 0.00 C ATOM 1448 CD2 LEU B 25 3.757 1.163 -11.836 1.00 0.00 C ATOM 0 H LEU B 25 5.207 3.702 -8.309 1.00 0.00 H new ATOM 0 HA LEU B 25 4.328 3.700 -11.180 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.832 2.525 -8.789 1.00 0.00 H new ATOM 0 HB3 LEU B 25 2.140 2.757 -10.383 1.00 0.00 H new ATOM 0 HG LEU B 25 4.660 1.111 -9.880 1.00 0.00 H new ATOM 0 HD11 LEU B 25 3.170 -0.874 -10.140 1.00 0.00 H new ATOM 0 HD12 LEU B 25 2.691 0.106 -8.734 1.00 0.00 H new ATOM 0 HD13 LEU B 25 1.760 0.207 -10.248 1.00 0.00 H new ATOM 0 HD21 LEU B 25 4.177 0.204 -12.140 1.00 0.00 H new ATOM 0 HD22 LEU B 25 2.762 1.277 -12.267 1.00 0.00 H new ATOM 0 HD23 LEU B 25 4.400 1.969 -12.190 1.00 0.00 H new ATOM 1460 N GLU B 26 3.256 5.906 -10.692 1.00 0.00 N ATOM 1461 CA GLU B 26 2.651 7.220 -10.369 1.00 0.00 C ATOM 1462 C GLU B 26 1.133 7.060 -10.297 1.00 0.00 C ATOM 1463 O GLU B 26 0.499 6.687 -11.263 1.00 0.00 O ATOM 1464 CB GLU B 26 3.040 8.220 -11.452 1.00 0.00 C ATOM 1465 CG GLU B 26 2.493 9.601 -11.100 1.00 0.00 C ATOM 1466 CD GLU B 26 3.111 10.638 -12.036 1.00 0.00 C ATOM 1467 OE1 GLU B 26 2.545 10.871 -13.088 1.00 0.00 O ATOM 1468 OE2 GLU B 26 4.142 11.187 -11.678 1.00 0.00 O ATOM 0 H GLU B 26 3.493 5.763 -11.674 1.00 0.00 H new ATOM 0 HA GLU B 26 3.011 7.586 -9.407 1.00 0.00 H new ATOM 0 HB2 GLU B 26 4.125 8.262 -11.548 1.00 0.00 H new ATOM 0 HB3 GLU B 26 2.647 7.898 -12.416 1.00 0.00 H new ATOM 0 HG2 GLU B 26 1.407 9.610 -11.194 1.00 0.00 H new ATOM 0 HG3 GLU B 26 2.726 9.844 -10.063 1.00 0.00 H new ATOM 1475 N THR B 27 0.546 7.320 -9.149 1.00 0.00 N ATOM 1476 CA THR B 27 -0.938 7.164 -8.999 1.00 0.00 C ATOM 1477 C THR B 27 -1.603 8.536 -8.868 1.00 0.00 C ATOM 1478 O THR B 27 -1.027 9.475 -8.352 1.00 0.00 O ATOM 1479 CB THR B 27 -1.240 6.329 -7.752 1.00 0.00 C ATOM 1480 OG1 THR B 27 -2.646 6.274 -7.553 1.00 0.00 O ATOM 1481 CG2 THR B 27 -0.571 6.956 -6.529 1.00 0.00 C ATOM 0 H THR B 27 1.032 7.634 -8.309 1.00 0.00 H new ATOM 0 HA THR B 27 -1.333 6.662 -9.882 1.00 0.00 H new ATOM 0 HB THR B 27 -0.850 5.321 -7.890 1.00 0.00 H new ATOM 0 HG1 THR B 27 -2.965 5.363 -7.722 1.00 0.00 H new ATOM 0 HG21 THR B 27 -0.791 6.356 -5.646 1.00 0.00 H new ATOM 0 HG22 THR B 27 0.507 6.993 -6.683 1.00 0.00 H new ATOM 0 HG23 THR B 27 -0.952 7.967 -6.384 1.00 0.00 H new ATOM 1489 N ILE B 28 -2.822 8.641 -9.340 1.00 0.00 N ATOM 1490 CA ILE B 28 -3.582 9.925 -9.277 1.00 0.00 C ATOM 1491 C ILE B 28 -2.658 11.118 -9.545 1.00 0.00 C ATOM 1492 O ILE B 28 -2.534 11.575 -10.663 1.00 0.00 O ATOM 1493 CB ILE B 28 -4.239 10.083 -7.905 1.00 0.00 C ATOM 1494 CG1 ILE B 28 -5.088 8.846 -7.598 1.00 0.00 C ATOM 1495 CG2 ILE B 28 -5.144 11.317 -7.926 1.00 0.00 C ATOM 1496 CD1 ILE B 28 -5.536 8.878 -6.136 1.00 0.00 C ATOM 0 H ILE B 28 -3.331 7.872 -9.776 1.00 0.00 H new ATOM 0 HA ILE B 28 -4.354 9.900 -10.046 1.00 0.00 H new ATOM 0 HB ILE B 28 -3.469 10.196 -7.141 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -5.958 8.818 -8.254 1.00 0.00 H new ATOM 0 HG13 ILE B 28 -4.513 7.941 -7.792 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -5.617 11.438 -6.951 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -4.548 12.201 -8.152 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -5.912 11.192 -8.689 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -6.140 7.996 -5.921 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -4.660 8.885 -5.487 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -6.128 9.776 -5.956 1.00 0.00 H new ATOM 1508 N GLN B 29 -2.024 11.636 -8.522 1.00 0.00 N ATOM 1509 CA GLN B 29 -1.117 12.813 -8.697 1.00 0.00 C ATOM 1510 C GLN B 29 0.202 12.578 -7.958 1.00 0.00 C ATOM 1511 O GLN B 29 1.208 13.187 -8.267 1.00 0.00 O ATOM 1512 CB GLN B 29 -1.800 14.049 -8.103 1.00 0.00 C ATOM 1513 CG GLN B 29 -2.251 13.746 -6.669 1.00 0.00 C ATOM 1514 CD GLN B 29 -2.963 14.969 -6.086 1.00 0.00 C ATOM 1515 OE1 GLN B 29 -2.617 16.092 -6.398 1.00 0.00 O ATOM 1516 NE2 GLN B 29 -3.949 14.800 -5.247 1.00 0.00 N ATOM 0 H GLN B 29 -2.097 11.291 -7.565 1.00 0.00 H new ATOM 0 HA GLN B 29 -0.913 12.956 -9.758 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -1.113 14.895 -8.108 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -2.658 14.332 -8.713 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -2.920 12.885 -6.661 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -1.390 13.486 -6.053 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -4.240 13.858 -4.985 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -4.429 15.610 -4.854 1.00 0.00 H new ATOM 1525 N GLY B 30 0.209 11.714 -6.975 1.00 0.00 N ATOM 1526 CA GLY B 30 1.466 11.459 -6.202 1.00 0.00 C ATOM 1527 C GLY B 30 2.190 10.226 -6.739 1.00 0.00 C ATOM 1528 O GLY B 30 1.689 9.521 -7.593 1.00 0.00 O ATOM 0 H GLY B 30 -0.601 11.173 -6.673 1.00 0.00 H new ATOM 0 HA2 GLY B 30 2.121 12.328 -6.266 1.00 0.00 H new ATOM 0 HA3 GLY B 30 1.228 11.317 -5.148 1.00 0.00 H new ATOM 1532 N VAL B 31 3.371 9.961 -6.228 1.00 0.00 N ATOM 1533 CA VAL B 31 4.162 8.771 -6.681 1.00 0.00 C ATOM 1534 C VAL B 31 4.403 7.843 -5.497 1.00 0.00 C ATOM 1535 O VAL B 31 4.819 8.266 -4.436 1.00 0.00 O ATOM 1536 CB VAL B 31 5.507 9.232 -7.254 1.00 0.00 C ATOM 1537 CG1 VAL B 31 6.408 8.016 -7.511 1.00 0.00 C ATOM 1538 CG2 VAL B 31 5.263 9.973 -8.569 1.00 0.00 C ATOM 0 H VAL B 31 3.824 10.525 -5.509 1.00 0.00 H new ATOM 0 HA VAL B 31 3.606 8.240 -7.453 1.00 0.00 H new ATOM 0 HB VAL B 31 5.998 9.895 -6.541 1.00 0.00 H new ATOM 0 HG11 VAL B 31 7.362 8.350 -7.918 1.00 0.00 H new ATOM 0 HG12 VAL B 31 6.579 7.485 -6.574 1.00 0.00 H new ATOM 0 HG13 VAL B 31 5.923 7.348 -8.223 1.00 0.00 H new ATOM 0 HG21 VAL B 31 6.216 10.304 -8.982 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.772 9.305 -9.277 1.00 0.00 H new ATOM 0 HG23 VAL B 31 4.627 10.839 -8.386 1.00 0.00 H new ATOM 1548 N LEU B 32 4.145 6.573 -5.679 1.00 0.00 N ATOM 1549 CA LEU B 32 4.354 5.583 -4.578 1.00 0.00 C ATOM 1550 C LEU B 32 5.510 4.668 -4.956 1.00 0.00 C ATOM 1551 O LEU B 32 5.542 4.101 -6.033 1.00 0.00 O ATOM 1552 CB LEU B 32 3.079 4.749 -4.398 1.00 0.00 C ATOM 1553 CG LEU B 32 3.309 3.637 -3.364 1.00 0.00 C ATOM 1554 CD1 LEU B 32 3.752 4.237 -2.021 1.00 0.00 C ATOM 1555 CD2 LEU B 32 2.006 2.857 -3.183 1.00 0.00 C ATOM 0 H LEU B 32 3.795 6.176 -6.551 1.00 0.00 H new ATOM 0 HA LEU B 32 4.581 6.101 -3.646 1.00 0.00 H new ATOM 0 HB2 LEU B 32 2.259 5.391 -4.075 1.00 0.00 H new ATOM 0 HB3 LEU B 32 2.785 4.312 -5.352 1.00 0.00 H new ATOM 0 HG LEU B 32 4.096 2.970 -3.716 1.00 0.00 H new ATOM 0 HD11 LEU B 32 3.911 3.436 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU B 32 4.681 4.791 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU B 32 2.979 4.911 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU B 32 2.156 2.064 -2.451 1.00 0.00 H new ATOM 0 HD22 LEU B 32 1.224 3.531 -2.833 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.708 2.420 -4.136 1.00 0.00 H new ATOM 1567 N SER B 33 6.462 4.520 -4.072 1.00 0.00 N ATOM 1568 CA SER B 33 7.633 3.636 -4.351 1.00 0.00 C ATOM 1569 C SER B 33 7.543 2.405 -3.455 1.00 0.00 C ATOM 1570 O SER B 33 7.530 2.507 -2.238 1.00 0.00 O ATOM 1571 CB SER B 33 8.923 4.396 -4.046 1.00 0.00 C ATOM 1572 OG SER B 33 10.029 3.513 -4.176 1.00 0.00 O ATOM 0 H SER B 33 6.478 4.978 -3.161 1.00 0.00 H new ATOM 0 HA SER B 33 7.632 3.333 -5.398 1.00 0.00 H new ATOM 0 HB2 SER B 33 9.033 5.238 -4.729 1.00 0.00 H new ATOM 0 HB3 SER B 33 8.887 4.807 -3.037 1.00 0.00 H new ATOM 0 HG SER B 33 10.859 3.997 -3.983 1.00 0.00 H new ATOM 1578 N ILE B 34 7.479 1.238 -4.050 1.00 0.00 N ATOM 1579 CA ILE B 34 7.383 -0.019 -3.253 1.00 0.00 C ATOM 1580 C ILE B 34 8.762 -0.667 -3.164 1.00 0.00 C ATOM 1581 O ILE B 34 9.401 -0.913 -4.168 1.00 0.00 O ATOM 1582 CB ILE B 34 6.417 -0.985 -3.945 1.00 0.00 C ATOM 1583 CG1 ILE B 34 5.041 -0.327 -4.054 1.00 0.00 C ATOM 1584 CG2 ILE B 34 6.302 -2.277 -3.129 1.00 0.00 C ATOM 1585 CD1 ILE B 34 4.134 -1.178 -4.945 1.00 0.00 C ATOM 0 H ILE B 34 7.489 1.105 -5.061 1.00 0.00 H new ATOM 0 HA ILE B 34 7.019 0.210 -2.251 1.00 0.00 H new ATOM 0 HB ILE B 34 6.792 -1.223 -4.940 1.00 0.00 H new ATOM 0 HG12 ILE B 34 4.598 -0.220 -3.064 1.00 0.00 H new ATOM 0 HG13 ILE B 34 5.138 0.676 -4.469 1.00 0.00 H new ATOM 0 HG21 ILE B 34 5.614 -2.961 -3.626 1.00 0.00 H new ATOM 0 HG22 ILE B 34 7.283 -2.745 -3.048 1.00 0.00 H new ATOM 0 HG23 ILE B 34 5.927 -2.045 -2.132 1.00 0.00 H new ATOM 0 HD11 ILE B 34 3.154 -0.707 -5.021 1.00 0.00 H new ATOM 0 HD12 ILE B 34 4.575 -1.262 -5.938 1.00 0.00 H new ATOM 0 HD13 ILE B 34 4.026 -2.172 -4.511 1.00 0.00 H new ATOM 1597 N LYS B 35 9.230 -0.941 -1.969 1.00 0.00 N ATOM 1598 CA LYS B 35 10.576 -1.573 -1.806 1.00 0.00 C ATOM 1599 C LYS B 35 10.466 -2.772 -0.870 1.00 0.00 C ATOM 1600 O LYS B 35 9.778 -2.737 0.132 1.00 0.00 O ATOM 1601 CB LYS B 35 11.543 -0.551 -1.211 1.00 0.00 C ATOM 1602 CG LYS B 35 11.821 0.536 -2.250 1.00 0.00 C ATOM 1603 CD LYS B 35 12.881 1.508 -1.723 1.00 0.00 C ATOM 1604 CE LYS B 35 12.302 2.374 -0.601 1.00 0.00 C ATOM 1605 NZ LYS B 35 13.203 3.536 -0.364 1.00 0.00 N ATOM 0 H LYS B 35 8.735 -0.753 -1.097 1.00 0.00 H new ATOM 0 HA LYS B 35 10.944 -1.904 -2.777 1.00 0.00 H new ATOM 0 HB2 LYS B 35 11.117 -0.110 -0.310 1.00 0.00 H new ATOM 0 HB3 LYS B 35 12.473 -1.039 -0.918 1.00 0.00 H new ATOM 0 HG2 LYS B 35 12.163 0.082 -3.180 1.00 0.00 H new ATOM 0 HG3 LYS B 35 10.902 1.076 -2.478 1.00 0.00 H new ATOM 0 HD2 LYS B 35 13.742 0.951 -1.353 1.00 0.00 H new ATOM 0 HD3 LYS B 35 13.236 2.143 -2.534 1.00 0.00 H new ATOM 0 HE2 LYS B 35 11.305 2.721 -0.871 1.00 0.00 H new ATOM 0 HE3 LYS B 35 12.199 1.787 0.311 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 13.045 3.908 0.594 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 14.193 3.232 -0.458 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 13.001 4.280 -1.062 1.00 0.00 H new ATOM 1619 N GLY B 36 11.143 -3.838 -1.192 1.00 0.00 N ATOM 1620 CA GLY B 36 11.082 -5.048 -0.331 1.00 0.00 C ATOM 1621 C GLY B 36 11.970 -6.134 -0.936 1.00 0.00 C ATOM 1622 O GLY B 36 13.061 -5.861 -1.399 1.00 0.00 O ATOM 0 H GLY B 36 11.737 -3.922 -2.017 1.00 0.00 H new ATOM 0 HA2 GLY B 36 11.415 -4.809 0.679 1.00 0.00 H new ATOM 0 HA3 GLY B 36 10.054 -5.403 -0.252 1.00 0.00 H new ATOM 1626 N GLU B 37 11.516 -7.363 -0.940 1.00 0.00 N ATOM 1627 CA GLU B 37 12.337 -8.474 -1.521 1.00 0.00 C ATOM 1628 C GLU B 37 11.476 -9.317 -2.466 1.00 0.00 C ATOM 1629 O GLU B 37 10.342 -9.639 -2.174 1.00 0.00 O ATOM 1630 CB GLU B 37 12.870 -9.356 -0.389 1.00 0.00 C ATOM 1631 CG GLU B 37 13.868 -8.557 0.452 1.00 0.00 C ATOM 1632 CD GLU B 37 14.660 -9.506 1.353 1.00 0.00 C ATOM 1633 OE1 GLU B 37 14.105 -9.961 2.338 1.00 0.00 O ATOM 1634 OE2 GLU B 37 15.814 -9.756 1.044 1.00 0.00 O ATOM 0 H GLU B 37 10.611 -7.647 -0.566 1.00 0.00 H new ATOM 0 HA GLU B 37 13.172 -8.052 -2.080 1.00 0.00 H new ATOM 0 HB2 GLU B 37 12.046 -9.702 0.236 1.00 0.00 H new ATOM 0 HB3 GLU B 37 13.352 -10.243 -0.800 1.00 0.00 H new ATOM 0 HG2 GLU B 37 14.547 -8.006 -0.199 1.00 0.00 H new ATOM 0 HG3 GLU B 37 13.340 -7.821 1.058 1.00 0.00 H new ATOM 1641 N LYS B 38 12.016 -9.673 -3.602 1.00 0.00 N ATOM 1642 CA LYS B 38 11.251 -10.494 -4.584 1.00 0.00 C ATOM 1643 C LYS B 38 9.848 -9.922 -4.773 1.00 0.00 C ATOM 1644 O LYS B 38 8.875 -10.465 -4.289 1.00 0.00 O ATOM 1645 CB LYS B 38 11.156 -11.934 -4.088 1.00 0.00 C ATOM 1646 CG LYS B 38 12.552 -12.555 -4.110 1.00 0.00 C ATOM 1647 CD LYS B 38 12.461 -14.059 -3.857 1.00 0.00 C ATOM 1648 CE LYS B 38 12.034 -14.332 -2.413 1.00 0.00 C ATOM 1649 NZ LYS B 38 12.291 -15.762 -2.085 1.00 0.00 N ATOM 0 H LYS B 38 12.962 -9.428 -3.893 1.00 0.00 H new ATOM 0 HA LYS B 38 11.772 -10.473 -5.541 1.00 0.00 H new ATOM 0 HB2 LYS B 38 10.748 -11.959 -3.078 1.00 0.00 H new ATOM 0 HB3 LYS B 38 10.478 -12.507 -4.720 1.00 0.00 H new ATOM 0 HG2 LYS B 38 13.026 -12.368 -5.073 1.00 0.00 H new ATOM 0 HG3 LYS B 38 13.179 -12.088 -3.350 1.00 0.00 H new ATOM 0 HD2 LYS B 38 11.745 -14.507 -4.546 1.00 0.00 H new ATOM 0 HD3 LYS B 38 13.426 -14.526 -4.052 1.00 0.00 H new ATOM 0 HE2 LYS B 38 12.586 -13.686 -1.730 1.00 0.00 H new ATOM 0 HE3 LYS B 38 10.976 -14.102 -2.285 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 12.002 -15.951 -1.104 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 11.746 -16.369 -2.730 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 13.305 -15.966 -2.192 1.00 0.00 H new ATOM 1663 N LEU B 39 9.734 -8.836 -5.491 1.00 0.00 N ATOM 1664 CA LEU B 39 8.392 -8.228 -5.733 1.00 0.00 C ATOM 1665 C LEU B 39 7.847 -8.780 -7.051 1.00 0.00 C ATOM 1666 O LEU B 39 7.789 -8.096 -8.054 1.00 0.00 O ATOM 1667 CB LEU B 39 8.539 -6.703 -5.816 1.00 0.00 C ATOM 1668 CG LEU B 39 8.651 -6.130 -4.398 1.00 0.00 C ATOM 1669 CD1 LEU B 39 9.797 -6.824 -3.654 1.00 0.00 C ATOM 1670 CD2 LEU B 39 8.924 -4.626 -4.469 1.00 0.00 C ATOM 0 H LEU B 39 10.515 -8.342 -5.922 1.00 0.00 H new ATOM 0 HA LEU B 39 7.705 -8.471 -4.922 1.00 0.00 H new ATOM 0 HB2 LEU B 39 9.423 -6.442 -6.398 1.00 0.00 H new ATOM 0 HB3 LEU B 39 7.680 -6.270 -6.329 1.00 0.00 H new ATOM 0 HG LEU B 39 7.715 -6.301 -3.866 1.00 0.00 H new ATOM 0 HD11 LEU B 39 9.876 -6.416 -2.646 1.00 0.00 H new ATOM 0 HD12 LEU B 39 9.599 -7.894 -3.598 1.00 0.00 H new ATOM 0 HD13 LEU B 39 10.732 -6.656 -4.188 1.00 0.00 H new ATOM 0 HD21 LEU B 39 9.003 -4.222 -3.460 1.00 0.00 H new ATOM 0 HD22 LEU B 39 9.857 -4.450 -5.004 1.00 0.00 H new ATOM 0 HD23 LEU B 39 8.106 -4.132 -4.994 1.00 0.00 H new ATOM 1682 N GLY B 40 7.455 -10.027 -7.051 1.00 0.00 N ATOM 1683 CA GLY B 40 6.928 -10.649 -8.298 1.00 0.00 C ATOM 1684 C GLY B 40 5.882 -9.736 -8.933 1.00 0.00 C ATOM 1685 O GLY B 40 5.128 -9.069 -8.250 1.00 0.00 O ATOM 0 H GLY B 40 7.478 -10.642 -6.238 1.00 0.00 H new ATOM 0 HA2 GLY B 40 7.743 -10.825 -9.000 1.00 0.00 H new ATOM 0 HA3 GLY B 40 6.487 -11.620 -8.072 1.00 0.00 H new ATOM 1689 N LEU B 46 -1.627 -7.719 -20.397 1.00 0.00 N ATOM 1690 CA LEU B 46 -2.581 -6.900 -19.590 1.00 0.00 C ATOM 1691 C LEU B 46 -3.781 -7.753 -19.178 1.00 0.00 C ATOM 1692 O LEU B 46 -4.586 -8.155 -19.995 1.00 0.00 O ATOM 1693 CB LEU B 46 -3.059 -5.704 -20.422 1.00 0.00 C ATOM 1694 CG LEU B 46 -3.913 -4.765 -19.557 1.00 0.00 C ATOM 1695 CD1 LEU B 46 -3.064 -4.164 -18.418 1.00 0.00 C ATOM 1696 CD2 LEU B 46 -4.471 -3.640 -20.440 1.00 0.00 C ATOM 0 HA LEU B 46 -2.076 -6.540 -18.693 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -2.201 -5.163 -20.821 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -3.640 -6.054 -21.275 1.00 0.00 H new ATOM 0 HG LEU B 46 -4.734 -5.330 -19.115 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -3.683 -3.501 -17.814 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -2.674 -4.967 -17.792 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -2.234 -3.599 -18.842 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -5.079 -2.969 -19.833 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -3.646 -3.082 -20.883 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -5.085 -4.069 -21.232 1.00 0.00 H new ATOM 1708 N LYS B 47 -3.908 -8.018 -17.906 1.00 0.00 N ATOM 1709 CA LYS B 47 -5.050 -8.836 -17.414 1.00 0.00 C ATOM 1710 C LYS B 47 -6.361 -8.083 -17.648 1.00 0.00 C ATOM 1711 O LYS B 47 -7.359 -8.660 -18.029 1.00 0.00 O ATOM 1712 CB LYS B 47 -4.858 -9.109 -15.920 1.00 0.00 C ATOM 1713 CG LYS B 47 -4.854 -7.786 -15.146 1.00 0.00 C ATOM 1714 CD LYS B 47 -4.432 -8.033 -13.693 1.00 0.00 C ATOM 1715 CE LYS B 47 -5.515 -8.826 -12.957 1.00 0.00 C ATOM 1716 NZ LYS B 47 -5.287 -8.733 -11.487 1.00 0.00 N ATOM 0 H LYS B 47 -3.264 -7.700 -17.182 1.00 0.00 H new ATOM 0 HA LYS B 47 -5.089 -9.782 -17.954 1.00 0.00 H new ATOM 0 HB2 LYS B 47 -5.657 -9.753 -15.553 1.00 0.00 H new ATOM 0 HB3 LYS B 47 -3.920 -9.640 -15.756 1.00 0.00 H new ATOM 0 HG2 LYS B 47 -4.170 -7.081 -15.618 1.00 0.00 H new ATOM 0 HG3 LYS B 47 -5.846 -7.335 -15.174 1.00 0.00 H new ATOM 0 HD2 LYS B 47 -3.490 -8.580 -13.668 1.00 0.00 H new ATOM 0 HD3 LYS B 47 -4.262 -7.082 -13.189 1.00 0.00 H new ATOM 0 HE2 LYS B 47 -6.501 -8.435 -13.208 1.00 0.00 H new ATOM 0 HE3 LYS B 47 -5.495 -9.869 -13.274 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 -5.394 -9.675 -11.059 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 -4.326 -8.378 -11.306 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 -5.981 -8.082 -11.069 1.00 0.00 H new ATOM 1730 N ALA B 48 -6.362 -6.798 -17.423 1.00 0.00 N ATOM 1731 CA ALA B 48 -7.601 -5.994 -17.628 1.00 0.00 C ATOM 1732 C ALA B 48 -7.297 -4.532 -17.306 1.00 0.00 C ATOM 1733 O ALA B 48 -7.924 -3.629 -17.823 1.00 0.00 O ATOM 1734 CB ALA B 48 -8.712 -6.494 -16.702 1.00 0.00 C ATOM 0 H ALA B 48 -5.552 -6.266 -17.104 1.00 0.00 H new ATOM 0 HA ALA B 48 -7.931 -6.093 -18.662 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.612 -5.900 -16.860 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -8.925 -7.540 -16.921 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -8.392 -6.398 -15.665 1.00 0.00 H new ATOM 1740 N GLY B 49 -6.336 -4.293 -16.448 1.00 0.00 N ATOM 1741 CA GLY B 49 -5.982 -2.885 -16.079 1.00 0.00 C ATOM 1742 C GLY B 49 -5.687 -2.803 -14.581 1.00 0.00 C ATOM 1743 O GLY B 49 -5.971 -1.810 -13.942 1.00 0.00 O ATOM 0 H GLY B 49 -5.780 -5.013 -15.986 1.00 0.00 H new ATOM 0 HA2 GLY B 49 -5.113 -2.557 -16.649 1.00 0.00 H new ATOM 0 HA3 GLY B 49 -6.802 -2.215 -16.335 1.00 0.00 H new ATOM 1747 N GLN B 50 -5.121 -3.841 -14.011 1.00 0.00 N ATOM 1748 CA GLN B 50 -4.810 -3.826 -12.543 1.00 0.00 C ATOM 1749 C GLN B 50 -3.408 -4.382 -12.314 1.00 0.00 C ATOM 1750 O GLN B 50 -2.883 -5.118 -13.125 1.00 0.00 O ATOM 1751 CB GLN B 50 -5.825 -4.692 -11.801 1.00 0.00 C ATOM 1752 CG GLN B 50 -7.190 -4.008 -11.846 1.00 0.00 C ATOM 1753 CD GLN B 50 -8.225 -4.881 -11.139 1.00 0.00 C ATOM 1754 OE1 GLN B 50 -7.891 -5.905 -10.574 1.00 0.00 O ATOM 1755 NE2 GLN B 50 -9.476 -4.517 -11.147 1.00 0.00 N ATOM 0 H GLN B 50 -4.861 -4.699 -14.498 1.00 0.00 H new ATOM 0 HA GLN B 50 -4.861 -2.803 -12.171 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -5.883 -5.679 -12.259 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -5.511 -4.838 -10.767 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -7.134 -3.031 -11.366 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -7.489 -3.838 -12.880 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -9.754 -3.658 -11.621 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -10.177 -5.091 -10.679 1.00 0.00 H new ATOM 1764 N VAL B 51 -2.795 -4.026 -11.209 1.00 0.00 N ATOM 1765 CA VAL B 51 -1.414 -4.522 -10.909 1.00 0.00 C ATOM 1766 C VAL B 51 -1.416 -5.259 -9.571 1.00 0.00 C ATOM 1767 O VAL B 51 -1.942 -4.784 -8.585 1.00 0.00 O ATOM 1768 CB VAL B 51 -0.455 -3.330 -10.830 1.00 0.00 C ATOM 1769 CG1 VAL B 51 -0.140 -2.836 -12.243 1.00 0.00 C ATOM 1770 CG2 VAL B 51 -1.110 -2.196 -10.037 1.00 0.00 C ATOM 0 H VAL B 51 -3.194 -3.411 -10.500 1.00 0.00 H new ATOM 0 HA VAL B 51 -1.091 -5.202 -11.698 1.00 0.00 H new ATOM 0 HB VAL B 51 0.465 -3.640 -10.334 1.00 0.00 H new ATOM 0 HG11 VAL B 51 0.542 -1.988 -12.188 1.00 0.00 H new ATOM 0 HG12 VAL B 51 0.325 -3.640 -12.814 1.00 0.00 H new ATOM 0 HG13 VAL B 51 -1.063 -2.528 -12.735 1.00 0.00 H new ATOM 0 HG21 VAL B 51 -0.427 -1.349 -9.982 1.00 0.00 H new ATOM 0 HG22 VAL B 51 -2.030 -1.888 -10.534 1.00 0.00 H new ATOM 0 HG23 VAL B 51 -1.341 -2.542 -9.030 1.00 0.00 H new ATOM 1780 N GLU B 52 -0.822 -6.422 -9.535 1.00 0.00 N ATOM 1781 CA GLU B 52 -0.760 -7.217 -8.273 1.00 0.00 C ATOM 1782 C GLU B 52 0.703 -7.564 -8.017 1.00 0.00 C ATOM 1783 O GLU B 52 1.403 -8.004 -8.906 1.00 0.00 O ATOM 1784 CB GLU B 52 -1.581 -8.498 -8.432 1.00 0.00 C ATOM 1785 CG GLU B 52 -3.047 -8.126 -8.660 1.00 0.00 C ATOM 1786 CD GLU B 52 -3.888 -9.397 -8.772 1.00 0.00 C ATOM 1787 OE1 GLU B 52 -3.349 -10.465 -8.534 1.00 0.00 O ATOM 1788 OE2 GLU B 52 -5.059 -9.281 -9.097 1.00 0.00 O ATOM 0 H GLU B 52 -0.371 -6.861 -10.338 1.00 0.00 H new ATOM 0 HA GLU B 52 -1.167 -6.648 -7.437 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -1.206 -9.083 -9.272 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -1.485 -9.120 -7.542 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -3.409 -7.510 -7.836 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -3.145 -7.532 -9.569 1.00 0.00 H new ATOM 1795 N VAL B 53 1.178 -7.345 -6.818 1.00 0.00 N ATOM 1796 CA VAL B 53 2.612 -7.633 -6.501 1.00 0.00 C ATOM 1797 C VAL B 53 2.696 -8.554 -5.289 1.00 0.00 C ATOM 1798 O VAL B 53 1.988 -8.383 -4.316 1.00 0.00 O ATOM 1799 CB VAL B 53 3.330 -6.315 -6.190 1.00 0.00 C ATOM 1800 CG1 VAL B 53 4.724 -6.602 -5.621 1.00 0.00 C ATOM 1801 CG2 VAL B 53 3.459 -5.495 -7.476 1.00 0.00 C ATOM 0 H VAL B 53 0.632 -6.977 -6.039 1.00 0.00 H new ATOM 0 HA VAL B 53 3.084 -8.120 -7.355 1.00 0.00 H new ATOM 0 HB VAL B 53 2.754 -5.754 -5.454 1.00 0.00 H new ATOM 0 HG11 VAL B 53 5.229 -5.661 -5.402 1.00 0.00 H new ATOM 0 HG12 VAL B 53 4.630 -7.185 -4.705 1.00 0.00 H new ATOM 0 HG13 VAL B 53 5.306 -7.165 -6.351 1.00 0.00 H new ATOM 0 HG21 VAL B 53 3.969 -4.556 -7.259 1.00 0.00 H new ATOM 0 HG22 VAL B 53 4.033 -6.059 -8.211 1.00 0.00 H new ATOM 0 HG23 VAL B 53 2.467 -5.285 -7.875 1.00 0.00 H new ATOM 1811 N GLU B 54 3.566 -9.528 -5.345 1.00 0.00 N ATOM 1812 CA GLU B 54 3.733 -10.479 -4.203 1.00 0.00 C ATOM 1813 C GLU B 54 5.151 -10.348 -3.651 1.00 0.00 C ATOM 1814 O GLU B 54 6.121 -10.357 -4.383 1.00 0.00 O ATOM 1815 CB GLU B 54 3.491 -11.913 -4.693 1.00 0.00 C ATOM 1816 CG GLU B 54 3.952 -12.914 -3.628 1.00 0.00 C ATOM 1817 CD GLU B 54 3.432 -14.310 -3.972 1.00 0.00 C ATOM 1818 OE1 GLU B 54 3.451 -14.655 -5.141 1.00 0.00 O ATOM 1819 OE2 GLU B 54 3.033 -15.013 -3.059 1.00 0.00 O ATOM 0 H GLU B 54 4.176 -9.708 -6.143 1.00 0.00 H new ATOM 0 HA GLU B 54 3.015 -10.247 -3.417 1.00 0.00 H new ATOM 0 HB2 GLU B 54 2.432 -12.059 -4.908 1.00 0.00 H new ATOM 0 HB3 GLU B 54 4.032 -12.084 -5.624 1.00 0.00 H new ATOM 0 HG2 GLU B 54 5.041 -12.925 -3.572 1.00 0.00 H new ATOM 0 HG3 GLU B 54 3.586 -12.611 -2.647 1.00 0.00 H new ATOM 1826 N GLY B 55 5.274 -10.221 -2.361 1.00 0.00 N ATOM 1827 CA GLY B 55 6.625 -10.088 -1.747 1.00 0.00 C ATOM 1828 C GLY B 55 6.483 -9.440 -0.371 1.00 0.00 C ATOM 1829 O GLY B 55 5.411 -9.028 0.023 1.00 0.00 O ATOM 0 H GLY B 55 4.495 -10.203 -1.702 1.00 0.00 H new ATOM 0 HA2 GLY B 55 7.095 -11.067 -1.656 1.00 0.00 H new ATOM 0 HA3 GLY B 55 7.270 -9.483 -2.384 1.00 0.00 H new ATOM 1833 N LEU B 56 7.553 -9.347 0.369 1.00 0.00 N ATOM 1834 CA LEU B 56 7.480 -8.728 1.726 1.00 0.00 C ATOM 1835 C LEU B 56 7.862 -7.248 1.632 1.00 0.00 C ATOM 1836 O LEU B 56 8.906 -6.899 1.121 1.00 0.00 O ATOM 1837 CB LEU B 56 8.455 -9.445 2.674 1.00 0.00 C ATOM 1838 CG LEU B 56 9.770 -9.796 1.931 1.00 0.00 C ATOM 1839 CD1 LEU B 56 10.958 -9.699 2.897 1.00 0.00 C ATOM 1840 CD2 LEU B 56 9.696 -11.224 1.368 1.00 0.00 C ATOM 0 H LEU B 56 8.479 -9.674 0.093 1.00 0.00 H new ATOM 0 HA LEU B 56 6.464 -8.821 2.111 1.00 0.00 H new ATOM 0 HB2 LEU B 56 8.673 -8.808 3.532 1.00 0.00 H new ATOM 0 HB3 LEU B 56 7.994 -10.354 3.061 1.00 0.00 H new ATOM 0 HG LEU B 56 9.905 -9.090 1.112 1.00 0.00 H new ATOM 0 HD11 LEU B 56 11.878 -9.947 2.368 1.00 0.00 H new ATOM 0 HD12 LEU B 56 11.027 -8.684 3.289 1.00 0.00 H new ATOM 0 HD13 LEU B 56 10.814 -10.397 3.722 1.00 0.00 H new ATOM 0 HD21 LEU B 56 10.625 -11.459 0.849 1.00 0.00 H new ATOM 0 HD22 LEU B 56 9.549 -11.930 2.185 1.00 0.00 H new ATOM 0 HD23 LEU B 56 8.862 -11.297 0.670 1.00 0.00 H new ATOM 1852 N ILE B 57 7.030 -6.378 2.134 1.00 0.00 N ATOM 1853 CA ILE B 57 7.352 -4.924 2.086 1.00 0.00 C ATOM 1854 C ILE B 57 8.216 -4.573 3.299 1.00 0.00 C ATOM 1855 O ILE B 57 7.768 -4.627 4.426 1.00 0.00 O ATOM 1856 CB ILE B 57 6.042 -4.120 2.124 1.00 0.00 C ATOM 1857 CG1 ILE B 57 5.377 -4.150 0.740 1.00 0.00 C ATOM 1858 CG2 ILE B 57 6.320 -2.662 2.522 1.00 0.00 C ATOM 1859 CD1 ILE B 57 5.261 -5.593 0.241 1.00 0.00 C ATOM 0 H ILE B 57 6.141 -6.611 2.576 1.00 0.00 H new ATOM 0 HA ILE B 57 7.894 -4.683 1.171 1.00 0.00 H new ATOM 0 HB ILE B 57 5.378 -4.570 2.862 1.00 0.00 H new ATOM 0 HG12 ILE B 57 4.388 -3.695 0.794 1.00 0.00 H new ATOM 0 HG13 ILE B 57 5.961 -3.559 0.035 1.00 0.00 H new ATOM 0 HG21 ILE B 57 5.383 -2.106 2.544 1.00 0.00 H new ATOM 0 HG22 ILE B 57 6.781 -2.636 3.509 1.00 0.00 H new ATOM 0 HG23 ILE B 57 6.994 -2.208 1.795 1.00 0.00 H new ATOM 0 HD11 ILE B 57 4.788 -5.601 -0.741 1.00 0.00 H new ATOM 0 HD12 ILE B 57 6.255 -6.034 0.169 1.00 0.00 H new ATOM 0 HD13 ILE B 57 4.657 -6.172 0.940 1.00 0.00 H new ATOM 1871 N ASP B 58 9.452 -4.209 3.069 1.00 0.00 N ATOM 1872 CA ASP B 58 10.361 -3.839 4.195 1.00 0.00 C ATOM 1873 C ASP B 58 10.558 -2.322 4.203 1.00 0.00 C ATOM 1874 O ASP B 58 11.111 -1.769 5.132 1.00 0.00 O ATOM 1875 CB ASP B 58 11.715 -4.546 4.007 1.00 0.00 C ATOM 1876 CG ASP B 58 11.660 -5.951 4.616 1.00 0.00 C ATOM 1877 OD1 ASP B 58 10.682 -6.644 4.376 1.00 0.00 O ATOM 1878 OD2 ASP B 58 12.589 -6.308 5.318 1.00 0.00 O ATOM 0 H ASP B 58 9.873 -4.152 2.142 1.00 0.00 H new ATOM 0 HA ASP B 58 9.925 -4.149 5.145 1.00 0.00 H new ATOM 0 HB2 ASP B 58 11.958 -4.609 2.946 1.00 0.00 H new ATOM 0 HB3 ASP B 58 12.507 -3.966 4.481 1.00 0.00 H new ATOM 1883 N ALA B 59 10.119 -1.636 3.176 1.00 0.00 N ATOM 1884 CA ALA B 59 10.301 -0.155 3.160 1.00 0.00 C ATOM 1885 C ALA B 59 9.325 0.494 2.180 1.00 0.00 C ATOM 1886 O ALA B 59 8.989 -0.060 1.147 1.00 0.00 O ATOM 1887 CB ALA B 59 11.731 0.175 2.737 1.00 0.00 C ATOM 0 H ALA B 59 9.650 -2.031 2.361 1.00 0.00 H new ATOM 0 HA ALA B 59 10.108 0.232 4.160 1.00 0.00 H new ATOM 0 HB1 ALA B 59 11.866 1.256 2.725 1.00 0.00 H new ATOM 0 HB2 ALA B 59 12.431 -0.270 3.444 1.00 0.00 H new ATOM 0 HB3 ALA B 59 11.917 -0.225 1.740 1.00 0.00 H new ATOM 1893 N LEU B 60 8.870 1.678 2.499 1.00 0.00 N ATOM 1894 CA LEU B 60 7.917 2.395 1.603 1.00 0.00 C ATOM 1895 C LEU B 60 8.266 3.882 1.595 1.00 0.00 C ATOM 1896 O LEU B 60 8.576 4.455 2.621 1.00 0.00 O ATOM 1897 CB LEU B 60 6.490 2.215 2.130 1.00 0.00 C ATOM 1898 CG LEU B 60 5.973 0.801 1.826 1.00 0.00 C ATOM 1899 CD1 LEU B 60 4.588 0.625 2.463 1.00 0.00 C ATOM 1900 CD2 LEU B 60 5.891 0.569 0.303 1.00 0.00 C ATOM 0 H LEU B 60 9.121 2.182 3.349 1.00 0.00 H new ATOM 0 HA LEU B 60 7.986 1.991 0.593 1.00 0.00 H new ATOM 0 HB2 LEU B 60 6.469 2.392 3.205 1.00 0.00 H new ATOM 0 HB3 LEU B 60 5.832 2.954 1.673 1.00 0.00 H new ATOM 0 HG LEU B 60 6.664 0.069 2.244 1.00 0.00 H new ATOM 0 HD11 LEU B 60 4.215 -0.377 2.251 1.00 0.00 H new ATOM 0 HD12 LEU B 60 4.663 0.764 3.542 1.00 0.00 H new ATOM 0 HD13 LEU B 60 3.901 1.363 2.049 1.00 0.00 H new ATOM 0 HD21 LEU B 60 5.523 -0.438 0.108 1.00 0.00 H new ATOM 0 HD22 LEU B 60 5.211 1.296 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU B 60 6.882 0.685 -0.137 1.00 0.00 H new ATOM 1912 N VAL B 61 8.225 4.517 0.448 1.00 0.00 N ATOM 1913 CA VAL B 61 8.555 5.979 0.387 1.00 0.00 C ATOM 1914 C VAL B 61 7.501 6.716 -0.439 1.00 0.00 C ATOM 1915 O VAL B 61 7.206 6.353 -1.560 1.00 0.00 O ATOM 1916 CB VAL B 61 9.935 6.157 -0.252 1.00 0.00 C ATOM 1917 CG1 VAL B 61 10.179 7.637 -0.573 1.00 0.00 C ATOM 1918 CG2 VAL B 61 11.003 5.669 0.728 1.00 0.00 C ATOM 0 H VAL B 61 7.979 4.090 -0.445 1.00 0.00 H new ATOM 0 HA VAL B 61 8.564 6.393 1.395 1.00 0.00 H new ATOM 0 HB VAL B 61 9.983 5.581 -1.176 1.00 0.00 H new ATOM 0 HG11 VAL B 61 11.163 7.753 -1.027 1.00 0.00 H new ATOM 0 HG12 VAL B 61 9.415 7.990 -1.266 1.00 0.00 H new ATOM 0 HG13 VAL B 61 10.132 8.221 0.346 1.00 0.00 H new ATOM 0 HG21 VAL B 61 11.990 5.792 0.282 1.00 0.00 H new ATOM 0 HG22 VAL B 61 10.946 6.251 1.648 1.00 0.00 H new ATOM 0 HG23 VAL B 61 10.836 4.616 0.954 1.00 0.00 H new ATOM 1928 N TYR B 62 6.946 7.766 0.105 1.00 0.00 N ATOM 1929 CA TYR B 62 5.928 8.561 -0.637 1.00 0.00 C ATOM 1930 C TYR B 62 6.102 10.037 -0.244 1.00 0.00 C ATOM 1931 O TYR B 62 6.300 10.338 0.916 1.00 0.00 O ATOM 1932 CB TYR B 62 4.527 8.086 -0.246 1.00 0.00 C ATOM 1933 CG TYR B 62 3.486 8.911 -0.969 1.00 0.00 C ATOM 1934 CD1 TYR B 62 3.144 10.178 -0.493 1.00 0.00 C ATOM 1935 CD2 TYR B 62 2.851 8.397 -2.107 1.00 0.00 C ATOM 1936 CE1 TYR B 62 2.169 10.935 -1.153 1.00 0.00 C ATOM 1937 CE2 TYR B 62 1.879 9.153 -2.768 1.00 0.00 C ATOM 1938 CZ TYR B 62 1.536 10.422 -2.291 1.00 0.00 C ATOM 1939 OH TYR B 62 0.570 11.166 -2.938 1.00 0.00 O ATOM 0 H TYR B 62 7.158 8.109 1.042 1.00 0.00 H new ATOM 0 HA TYR B 62 6.055 8.437 -1.713 1.00 0.00 H new ATOM 0 HB2 TYR B 62 4.407 7.032 -0.497 1.00 0.00 H new ATOM 0 HB3 TYR B 62 4.390 8.175 0.832 1.00 0.00 H new ATOM 0 HD1 TYR B 62 3.632 10.574 0.385 1.00 0.00 H new ATOM 0 HD2 TYR B 62 3.113 7.416 -2.474 1.00 0.00 H new ATOM 0 HE1 TYR B 62 1.905 11.915 -0.784 1.00 0.00 H new ATOM 0 HE2 TYR B 62 1.393 8.757 -3.647 1.00 0.00 H new ATOM 0 HH TYR B 62 -0.088 11.485 -2.286 1.00 0.00 H new ATOM 1949 N PRO B 63 6.029 10.961 -1.177 1.00 0.00 N ATOM 1950 CA PRO B 63 6.185 12.408 -0.851 1.00 0.00 C ATOM 1951 C PRO B 63 4.939 12.971 -0.150 1.00 0.00 C ATOM 1952 O PRO B 63 3.898 13.139 -0.751 1.00 0.00 O ATOM 1953 CB PRO B 63 6.391 13.069 -2.221 1.00 0.00 C ATOM 1954 CG PRO B 63 5.707 12.163 -3.199 1.00 0.00 C ATOM 1955 CD PRO B 63 5.803 10.746 -2.621 1.00 0.00 C ATOM 0 HA PRO B 63 7.009 12.591 -0.161 1.00 0.00 H new ATOM 0 HB2 PRO B 63 5.961 14.070 -2.244 1.00 0.00 H new ATOM 0 HB3 PRO B 63 7.451 13.172 -2.454 1.00 0.00 H new ATOM 0 HG2 PRO B 63 4.666 12.456 -3.337 1.00 0.00 H new ATOM 0 HG3 PRO B 63 6.185 12.216 -4.177 1.00 0.00 H new ATOM 0 HD2 PRO B 63 4.890 10.179 -2.802 1.00 0.00 H new ATOM 0 HD3 PRO B 63 6.621 10.185 -3.073 1.00 0.00 H new ATOM 1963 N LEU B 64 5.051 13.269 1.119 1.00 0.00 N ATOM 1964 CA LEU B 64 3.885 13.822 1.865 1.00 0.00 C ATOM 1965 C LEU B 64 3.789 15.327 1.595 1.00 0.00 C ATOM 1966 O LEU B 64 2.800 15.962 1.906 1.00 0.00 O ATOM 1967 CB LEU B 64 4.037 13.553 3.384 1.00 0.00 C ATOM 1968 CG LEU B 64 5.520 13.462 3.814 1.00 0.00 C ATOM 1969 CD1 LEU B 64 6.181 12.152 3.305 1.00 0.00 C ATOM 1970 CD2 LEU B 64 6.295 14.701 3.321 1.00 0.00 C ATOM 0 H LEU B 64 5.901 13.152 1.670 1.00 0.00 H new ATOM 0 HA LEU B 64 2.972 13.333 1.526 1.00 0.00 H new ATOM 0 HB2 LEU B 64 3.546 14.349 3.943 1.00 0.00 H new ATOM 0 HB3 LEU B 64 3.528 12.624 3.640 1.00 0.00 H new ATOM 0 HG LEU B 64 5.556 13.440 4.903 1.00 0.00 H new ATOM 0 HD11 LEU B 64 7.222 12.122 3.625 1.00 0.00 H new ATOM 0 HD12 LEU B 64 5.650 11.293 3.715 1.00 0.00 H new ATOM 0 HD13 LEU B 64 6.135 12.121 2.216 1.00 0.00 H new ATOM 0 HD21 LEU B 64 7.337 14.625 3.630 1.00 0.00 H new ATOM 0 HD22 LEU B 64 6.242 14.754 2.234 1.00 0.00 H new ATOM 0 HD23 LEU B 64 5.854 15.601 3.750 1.00 0.00 H new ATOM 1982 N GLU B 65 4.807 15.887 0.996 1.00 0.00 N ATOM 1983 CA GLU B 65 4.798 17.341 0.660 1.00 0.00 C ATOM 1984 C GLU B 65 4.543 18.192 1.905 1.00 0.00 C ATOM 1985 O GLU B 65 3.674 19.041 1.911 1.00 0.00 O ATOM 1986 CB GLU B 65 3.714 17.603 -0.386 1.00 0.00 C ATOM 1987 CG GLU B 65 4.093 16.880 -1.679 1.00 0.00 C ATOM 1988 CD GLU B 65 2.967 17.027 -2.703 1.00 0.00 C ATOM 1989 OE1 GLU B 65 1.966 17.640 -2.370 1.00 0.00 O ATOM 1990 OE2 GLU B 65 3.125 16.523 -3.802 1.00 0.00 O ATOM 0 H GLU B 65 5.655 15.392 0.722 1.00 0.00 H new ATOM 0 HA GLU B 65 5.774 17.618 0.262 1.00 0.00 H new ATOM 0 HB2 GLU B 65 2.748 17.250 -0.025 1.00 0.00 H new ATOM 0 HB3 GLU B 65 3.615 18.673 -0.567 1.00 0.00 H new ATOM 0 HG2 GLU B 65 5.018 17.294 -2.080 1.00 0.00 H new ATOM 0 HG3 GLU B 65 4.277 15.825 -1.476 1.00 0.00 H new ATOM 1997 N HIS B 66 5.297 17.981 2.957 1.00 0.00 N ATOM 1998 CA HIS B 66 5.116 18.789 4.208 1.00 0.00 C ATOM 1999 C HIS B 66 6.469 19.358 4.637 1.00 0.00 C ATOM 2000 O HIS B 66 6.597 19.959 5.687 1.00 0.00 O ATOM 2001 CB HIS B 66 4.529 17.903 5.315 1.00 0.00 C ATOM 2002 CG HIS B 66 3.031 17.754 5.134 1.00 0.00 C ATOM 2003 ND1 HIS B 66 2.332 16.688 5.686 1.00 0.00 N ATOM 2004 CD2 HIS B 66 2.078 18.518 4.482 1.00 0.00 C ATOM 2005 CE1 HIS B 66 1.032 16.836 5.365 1.00 0.00 C ATOM 2006 NE2 HIS B 66 0.829 17.933 4.635 1.00 0.00 N ATOM 0 H HIS B 66 6.036 17.279 3.004 1.00 0.00 H new ATOM 0 HA HIS B 66 4.426 19.612 4.022 1.00 0.00 H new ATOM 0 HB2 HIS B 66 5.004 16.922 5.294 1.00 0.00 H new ATOM 0 HB3 HIS B 66 4.742 18.340 6.291 1.00 0.00 H new ATOM 0 HD2 HIS B 66 2.276 19.430 3.938 1.00 0.00 H new ATOM 0 HE1 HIS B 66 0.251 16.151 5.662 1.00 0.00 H new ATOM 0 HE2 HIS B 66 -0.059 18.272 4.266 1.00 0.00 H new ATOM 2014 N HIS B 67 7.470 19.197 3.820 1.00 0.00 N ATOM 2015 CA HIS B 67 8.806 19.753 4.162 1.00 0.00 C ATOM 2016 C HIS B 67 8.759 21.270 4.002 1.00 0.00 C ATOM 2017 O HIS B 67 9.384 22.008 4.738 1.00 0.00 O ATOM 2018 CB HIS B 67 9.858 19.201 3.202 1.00 0.00 C ATOM 2019 CG HIS B 67 9.968 17.709 3.342 1.00 0.00 C ATOM 2020 ND1 HIS B 67 11.099 17.016 2.935 1.00 0.00 N ATOM 2021 CD2 HIS B 67 9.096 16.758 3.817 1.00 0.00 C ATOM 2022 CE1 HIS B 67 10.880 15.708 3.167 1.00 0.00 C ATOM 2023 NE2 HIS B 67 9.677 15.500 3.702 1.00 0.00 N ATOM 0 H HIS B 67 7.420 18.704 2.929 1.00 0.00 H new ATOM 0 HA HIS B 67 9.062 19.478 5.185 1.00 0.00 H new ATOM 0 HB2 HIS B 67 9.593 19.457 2.176 1.00 0.00 H new ATOM 0 HB3 HIS B 67 10.824 19.663 3.407 1.00 0.00 H new ATOM 0 HD1 HIS B 67 11.943 17.424 2.533 1.00 0.00 H new ATOM 0 HD2 HIS B 67 8.113 16.957 4.217 1.00 0.00 H new ATOM 0 HE1 HIS B 67 11.590 14.925 2.947 1.00 0.00 H new ATOM 2031 N HIS B 68 8.037 21.737 3.019 1.00 0.00 N ATOM 2032 CA HIS B 68 7.963 23.201 2.771 1.00 0.00 C ATOM 2033 C HIS B 68 7.201 23.893 3.912 1.00 0.00 C ATOM 2034 O HIS B 68 6.008 24.111 3.837 1.00 0.00 O ATOM 2035 CB HIS B 68 7.254 23.439 1.409 1.00 0.00 C ATOM 2036 CG HIS B 68 8.158 24.214 0.487 1.00 0.00 C ATOM 2037 ND1 HIS B 68 8.292 23.904 -0.860 1.00 0.00 N ATOM 2038 CD2 HIS B 68 8.995 25.277 0.713 1.00 0.00 C ATOM 2039 CE1 HIS B 68 9.183 24.766 -1.387 1.00 0.00 C ATOM 2040 NE2 HIS B 68 9.639 25.621 -0.470 1.00 0.00 N ATOM 0 H HIS B 68 7.493 21.162 2.375 1.00 0.00 H new ATOM 0 HA HIS B 68 8.967 23.625 2.735 1.00 0.00 H new ATOM 0 HB2 HIS B 68 6.990 22.484 0.955 1.00 0.00 H new ATOM 0 HB3 HIS B 68 6.324 23.986 1.564 1.00 0.00 H new ATOM 0 HD2 HIS B 68 9.133 25.771 1.664 1.00 0.00 H new ATOM 0 HE1 HIS B 68 9.490 24.765 -2.422 1.00 0.00 H new ATOM 0 HE2 HIS B 68 10.318 26.370 -0.608 1.00 0.00 H new ATOM 2048 N HIS B 69 7.893 24.254 4.959 1.00 0.00 N ATOM 2049 CA HIS B 69 7.223 24.950 6.094 1.00 0.00 C ATOM 2050 C HIS B 69 8.290 25.366 7.114 1.00 0.00 C ATOM 2051 O HIS B 69 8.678 24.593 7.968 1.00 0.00 O ATOM 2052 CB HIS B 69 6.192 24.011 6.754 1.00 0.00 C ATOM 2053 CG HIS B 69 5.046 24.823 7.298 1.00 0.00 C ATOM 2054 ND1 HIS B 69 4.125 25.444 6.467 1.00 0.00 N ATOM 2055 CD2 HIS B 69 4.667 25.138 8.580 1.00 0.00 C ATOM 2056 CE1 HIS B 69 3.248 26.099 7.248 1.00 0.00 C ATOM 2057 NE2 HIS B 69 3.534 25.944 8.541 1.00 0.00 N ATOM 0 H HIS B 69 8.894 24.097 5.077 1.00 0.00 H new ATOM 0 HA HIS B 69 6.699 25.834 5.730 1.00 0.00 H new ATOM 0 HB2 HIS B 69 5.825 23.288 6.026 1.00 0.00 H new ATOM 0 HB3 HIS B 69 6.663 23.444 7.557 1.00 0.00 H new ATOM 0 HD2 HIS B 69 5.170 24.811 9.478 1.00 0.00 H new ATOM 0 HE1 HIS B 69 2.416 26.678 6.875 1.00 0.00 H new ATOM 0 HE2 HIS B 69 3.028 26.335 9.336 1.00 0.00 H new ATOM 2065 N HIS B 70 8.776 26.577 7.026 1.00 0.00 N ATOM 2066 CA HIS B 70 9.830 27.048 7.981 1.00 0.00 C ATOM 2067 C HIS B 70 9.181 27.981 9.008 1.00 0.00 C ATOM 2068 O HIS B 70 9.776 28.346 10.004 1.00 0.00 O ATOM 2069 CB HIS B 70 10.915 27.810 7.194 1.00 0.00 C ATOM 2070 CG HIS B 70 11.013 27.245 5.801 1.00 0.00 C ATOM 2071 ND1 HIS B 70 10.539 27.935 4.694 1.00 0.00 N ATOM 2072 CD2 HIS B 70 11.496 26.050 5.321 1.00 0.00 C ATOM 2073 CE1 HIS B 70 10.743 27.157 3.613 1.00 0.00 C ATOM 2074 NE2 HIS B 70 11.320 26.001 3.942 1.00 0.00 N ATOM 0 H HIS B 70 8.488 27.265 6.331 1.00 0.00 H new ATOM 0 HA HIS B 70 10.285 26.201 8.494 1.00 0.00 H new ATOM 0 HB2 HIS B 70 10.671 28.871 7.151 1.00 0.00 H new ATOM 0 HB3 HIS B 70 11.876 27.724 7.702 1.00 0.00 H new ATOM 0 HD2 HIS B 70 11.942 25.271 5.921 1.00 0.00 H new ATOM 0 HE1 HIS B 70 10.473 27.435 2.605 1.00 0.00 H new ATOM 0 HE2 HIS B 70 11.578 25.240 3.314 1.00 0.00 H new ATOM 2082 N HIS B 71 7.962 28.377 8.757 1.00 0.00 N ATOM 2083 CA HIS B 71 7.258 29.300 9.679 1.00 0.00 C ATOM 2084 C HIS B 71 5.750 29.201 9.441 1.00 0.00 C ATOM 2085 O HIS B 71 5.060 28.717 10.323 1.00 0.00 O ATOM 2086 CB HIS B 71 7.724 30.738 9.415 1.00 0.00 C ATOM 2087 CG HIS B 71 7.740 31.051 7.927 1.00 0.00 C ATOM 2088 ND1 HIS B 71 7.381 32.304 7.447 1.00 0.00 N ATOM 2089 CD2 HIS B 71 8.088 30.317 6.804 1.00 0.00 C ATOM 2090 CE1 HIS B 71 7.517 32.289 6.109 1.00 0.00 C ATOM 2091 NE2 HIS B 71 7.942 31.106 5.673 1.00 0.00 N ATOM 2092 OXT HIS B 71 5.310 29.615 8.382 1.00 0.00 O ATOM 0 H HIS B 71 7.421 28.093 7.940 1.00 0.00 H new ATOM 0 HA HIS B 71 7.483 29.029 10.710 1.00 0.00 H new ATOM 0 HB2 HIS B 71 7.063 31.436 9.928 1.00 0.00 H new ATOM 0 HB3 HIS B 71 8.722 30.881 9.829 1.00 0.00 H new ATOM 0 HD2 HIS B 71 8.421 29.290 6.809 1.00 0.00 H new ATOM 0 HE1 HIS B 71 7.307 33.133 5.468 1.00 0.00 H new ATOM 0 HE2 HIS B 71 8.123 30.835 4.706 1.00 0.00 H new TER 2100 HIS B 71