USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 922 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.442 (180deg=-0.0587) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 11 THR OG1 : rot -17:sc= 1.63 USER MOD Single : A 13 MET CE :methyl -175:sc= 0 (180deg=-0.036) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.138) USER MOD Single : A 28 ASN : amide:sc= -0.338 X(o=-0.34,f=-0.086) USER MOD Single : A 29 GLN : amide:sc= -1.63 K(o=-1.6,f=-3.8) USER MOD Single : A 35 ASN : amide:sc= -2.11 X(o=-2.1,f=-2.2) USER MOD Single : A 38 LYS NZ :NH3+ 169:sc= -0.0251 (180deg=-0.238) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.4 K(o=-1.4,f=-0.56) USER MOD Single : A 52 GLN : amide:sc= -2.07 K(o=-2.1,f=-6.4!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -128:sc= 0.464 (180deg=-0.0444) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0.137 USER MOD Single : B 11 THR OG1 : rot -12:sc= 1.66 USER MOD Single : B 13 MET CE :methyl -176:sc= 0 (180deg=-0.029) USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 21 THR OG1 : rot 180:sc= 0 USER MOD Single : B 26 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.103) USER MOD Single : B 28 ASN : amide:sc= -0.337 X(o=-0.34,f=-0.12) USER MOD Single : B 29 GLN : amide:sc= -1.65 K(o=-1.6,f=-3.9) USER MOD Single : B 35 ASN : amide:sc= -2.09 X(o=-2.1,f=-2.2) USER MOD Single : B 38 LYS NZ :NH3+ 169:sc= -0.0333 (180deg=-0.248) USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 43 HIS : no HD1:sc= 0 X(o=0,f=-0.0095) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 49 GLN : amide:sc= -1.37 K(o=-1.4,f=-0.58) USER MOD Single : B 52 GLN : amide:sc= -2.08 K(o=-2.1,f=-6.5!) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.458 -11.325 -6.103 1.00 0.00 N ATOM 2 CA MET A 1 -0.969 -10.133 -5.362 1.00 0.00 C ATOM 3 C MET A 1 0.471 -10.323 -4.898 1.00 0.00 C ATOM 4 O MET A 1 1.069 -11.377 -5.114 1.00 0.00 O ATOM 5 CB MET A 1 -1.884 -9.899 -4.159 1.00 0.00 C ATOM 6 CG MET A 1 -1.897 -11.053 -3.170 1.00 0.00 C ATOM 7 SD MET A 1 -3.315 -12.144 -3.396 1.00 0.00 S ATOM 8 CE MET A 1 -3.717 -12.533 -1.695 1.00 0.00 C ATOM 0 H1 MET A 1 -1.914 -11.021 -6.987 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.656 -11.950 -6.323 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.147 -11.839 -5.518 1.00 0.00 H new ATOM 0 HA MET A 1 -0.988 -9.268 -6.025 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.567 -8.993 -3.643 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.900 -9.725 -4.514 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.979 -11.630 -3.278 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.906 -10.656 -2.155 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.577 -13.202 -1.668 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.864 -13.019 -1.222 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.955 -11.615 -1.158 1.00 0.00 H new ATOM 20 N LEU A 2 1.022 -9.296 -4.260 1.00 0.00 N ATOM 21 CA LEU A 2 2.394 -9.349 -3.766 1.00 0.00 C ATOM 22 C LEU A 2 2.428 -9.242 -2.244 1.00 0.00 C ATOM 23 O LEU A 2 2.274 -8.154 -1.689 1.00 0.00 O ATOM 24 CB LEU A 2 3.221 -8.222 -4.388 1.00 0.00 C ATOM 25 CG LEU A 2 4.729 -8.313 -4.148 1.00 0.00 C ATOM 26 CD1 LEU A 2 5.495 -7.887 -5.391 1.00 0.00 C ATOM 27 CD2 LEU A 2 5.132 -7.460 -2.955 1.00 0.00 C ATOM 0 H LEU A 2 0.540 -8.417 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 2 2.824 -10.309 -4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 2 3.040 -8.211 -5.463 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.863 -7.271 -3.995 1.00 0.00 H new ATOM 0 HG LEU A 2 4.979 -9.351 -3.929 1.00 0.00 H new ATOM 0 HD11 LEU A 2 6.566 -7.958 -5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.230 -8.539 -6.223 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.239 -6.857 -5.641 1.00 0.00 H new ATOM 0 HD21 LEU A 2 6.208 -7.537 -2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.866 -6.420 -3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 2 4.611 -7.811 -2.064 1.00 0.00 H new ATOM 39 N ILE A 3 2.637 -10.372 -1.573 1.00 0.00 N ATOM 40 CA ILE A 3 2.695 -10.386 -0.116 1.00 0.00 C ATOM 41 C ILE A 3 4.143 -10.363 0.369 1.00 0.00 C ATOM 42 O ILE A 3 4.854 -11.366 0.302 1.00 0.00 O ATOM 43 CB ILE A 3 1.956 -11.610 0.472 1.00 0.00 C ATOM 44 CG1 ILE A 3 1.822 -11.480 1.991 1.00 0.00 C ATOM 45 CG2 ILE A 3 2.666 -12.905 0.105 1.00 0.00 C ATOM 46 CD1 ILE A 3 0.526 -12.049 2.534 1.00 0.00 C ATOM 0 H ILE A 3 2.768 -11.283 -2.012 1.00 0.00 H new ATOM 0 HA ILE A 3 2.190 -9.487 0.237 1.00 0.00 H new ATOM 0 HB ILE A 3 0.956 -11.640 0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 3 2.661 -11.989 2.467 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.891 -10.427 2.265 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.125 -13.750 0.531 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.700 -13.006 -0.980 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.682 -12.888 0.500 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.498 -11.923 3.616 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.318 -11.524 2.086 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.464 -13.110 2.291 1.00 0.00 H new ATOM 58 N LEU A 4 4.566 -9.206 0.867 1.00 0.00 N ATOM 59 CA LEU A 4 5.919 -9.034 1.380 1.00 0.00 C ATOM 60 C LEU A 4 5.896 -8.509 2.812 1.00 0.00 C ATOM 61 O LEU A 4 5.346 -7.438 3.073 1.00 0.00 O ATOM 62 CB LEU A 4 6.708 -8.076 0.485 1.00 0.00 C ATOM 63 CG LEU A 4 8.220 -8.311 0.457 1.00 0.00 C ATOM 64 CD1 LEU A 4 8.532 -9.723 -0.012 1.00 0.00 C ATOM 65 CD2 LEU A 4 8.900 -7.288 -0.440 1.00 0.00 C ATOM 0 H LEU A 4 3.986 -8.369 0.926 1.00 0.00 H new ATOM 0 HA LEU A 4 6.408 -10.008 1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.325 -8.155 -0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.521 -7.055 0.818 1.00 0.00 H new ATOM 0 HG LEU A 4 8.606 -8.193 1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 4 9.612 -9.872 -0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.075 -10.442 0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.133 -9.869 -1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.975 -7.469 -0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 4 8.509 -7.376 -1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.704 -6.285 -0.061 1.00 0.00 H new ATOM 77 N THR A 5 6.490 -9.250 3.743 1.00 0.00 N ATOM 78 CA THR A 5 6.521 -8.814 5.135 1.00 0.00 C ATOM 79 C THR A 5 7.166 -7.442 5.246 1.00 0.00 C ATOM 80 O THR A 5 8.039 -7.091 4.453 1.00 0.00 O ATOM 81 CB THR A 5 7.280 -9.811 6.010 1.00 0.00 C ATOM 82 OG1 THR A 5 7.514 -11.022 5.313 1.00 0.00 O ATOM 83 CG2 THR A 5 6.549 -10.147 7.291 1.00 0.00 C ATOM 0 H THR A 5 6.950 -10.142 3.563 1.00 0.00 H new ATOM 0 HA THR A 5 5.491 -8.758 5.488 1.00 0.00 H new ATOM 0 HB THR A 5 8.221 -9.321 6.261 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.002 -11.644 5.892 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.137 -10.859 7.870 1.00 0.00 H new ATOM 0 HG22 THR A 5 6.402 -9.238 7.875 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.580 -10.586 7.053 1.00 0.00 H new ATOM 91 N ARG A 6 6.734 -6.667 6.232 1.00 0.00 N ATOM 92 CA ARG A 6 7.279 -5.335 6.431 1.00 0.00 C ATOM 93 C ARG A 6 6.637 -4.645 7.627 1.00 0.00 C ATOM 94 O ARG A 6 5.442 -4.795 7.885 1.00 0.00 O ATOM 95 CB ARG A 6 7.075 -4.488 5.173 1.00 0.00 C ATOM 96 CG ARG A 6 8.298 -3.676 4.782 1.00 0.00 C ATOM 97 CD ARG A 6 9.452 -4.571 4.362 1.00 0.00 C ATOM 98 NE ARG A 6 10.738 -3.884 4.455 1.00 0.00 N ATOM 99 CZ ARG A 6 11.850 -4.310 3.861 1.00 0.00 C ATOM 100 NH1 ARG A 6 11.839 -5.420 3.134 1.00 0.00 N ATOM 101 NH2 ARG A 6 12.977 -3.623 3.995 1.00 0.00 N ATOM 0 H ARG A 6 6.013 -6.937 6.901 1.00 0.00 H new ATOM 0 HA ARG A 6 8.346 -5.438 6.630 1.00 0.00 H new ATOM 0 HB2 ARG A 6 6.804 -5.142 4.345 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.236 -3.811 5.333 1.00 0.00 H new ATOM 0 HG2 ARG A 6 8.042 -3.003 3.964 1.00 0.00 H new ATOM 0 HG3 ARG A 6 8.606 -3.054 5.622 1.00 0.00 H new ATOM 0 HD2 ARG A 6 9.469 -5.460 4.992 1.00 0.00 H new ATOM 0 HD3 ARG A 6 9.295 -4.909 3.338 1.00 0.00 H new ATOM 0 HE ARG A 6 10.786 -3.028 5.007 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.975 -5.952 3.028 1.00 0.00 H new ATOM 0 HH12 ARG A 6 12.695 -5.742 2.681 1.00 0.00 H new ATOM 0 HH21 ARG A 6 12.991 -2.769 4.553 1.00 0.00 H new ATOM 0 HH22 ARG A 6 13.830 -3.949 3.540 1.00 0.00 H new ATOM 115 N ARG A 7 7.448 -3.886 8.349 1.00 0.00 N ATOM 116 CA ARG A 7 6.979 -3.153 9.518 1.00 0.00 C ATOM 117 C ARG A 7 8.043 -2.176 10.017 1.00 0.00 C ATOM 118 O ARG A 7 8.047 -1.794 11.186 1.00 0.00 O ATOM 119 CB ARG A 7 6.595 -4.123 10.634 1.00 0.00 C ATOM 120 CG ARG A 7 5.724 -3.499 11.712 1.00 0.00 C ATOM 121 CD ARG A 7 5.622 -4.403 12.929 1.00 0.00 C ATOM 122 NE ARG A 7 4.586 -3.959 13.858 1.00 0.00 N ATOM 123 CZ ARG A 7 4.069 -4.728 14.813 1.00 0.00 C ATOM 124 NH1 ARG A 7 4.484 -5.979 14.965 1.00 0.00 N ATOM 125 NH2 ARG A 7 3.132 -4.245 15.618 1.00 0.00 N ATOM 0 H ARG A 7 8.440 -3.761 8.145 1.00 0.00 H new ATOM 0 HA ARG A 7 6.099 -2.581 9.225 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.068 -4.972 10.200 1.00 0.00 H new ATOM 0 HB3 ARG A 7 7.503 -4.513 11.093 1.00 0.00 H new ATOM 0 HG2 ARG A 7 6.139 -2.535 12.006 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.728 -3.308 11.313 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.407 -5.422 12.606 1.00 0.00 H new ATOM 0 HD3 ARG A 7 6.583 -4.428 13.443 1.00 0.00 H new ATOM 0 HE ARG A 7 4.239 -3.004 13.770 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.203 -6.356 14.348 1.00 0.00 H new ATOM 0 HH12 ARG A 7 4.084 -6.563 15.699 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.808 -3.284 15.505 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.735 -4.834 16.350 1.00 0.00 H new ATOM 139 N VAL A 8 8.948 -1.779 9.125 1.00 0.00 N ATOM 140 CA VAL A 8 10.015 -0.853 9.483 1.00 0.00 C ATOM 141 C VAL A 8 10.053 0.338 8.531 1.00 0.00 C ATOM 142 O VAL A 8 10.020 1.490 8.964 1.00 0.00 O ATOM 143 CB VAL A 8 11.391 -1.549 9.471 1.00 0.00 C ATOM 144 CG1 VAL A 8 12.421 -0.708 10.208 1.00 0.00 C ATOM 145 CG2 VAL A 8 11.294 -2.941 10.081 1.00 0.00 C ATOM 0 H VAL A 8 8.962 -2.084 8.152 1.00 0.00 H new ATOM 0 HA VAL A 8 9.802 -0.501 10.492 1.00 0.00 H new ATOM 0 HB VAL A 8 11.714 -1.654 8.435 1.00 0.00 H new ATOM 0 HG11 VAL A 8 13.386 -1.215 10.189 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.512 0.264 9.722 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.105 -0.569 11.242 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.275 -3.415 10.063 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.947 -2.863 11.111 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.590 -3.542 9.506 1.00 0.00 H new ATOM 155 N GLY A 9 10.121 0.055 7.234 1.00 0.00 N ATOM 156 CA GLY A 9 10.162 1.117 6.246 1.00 0.00 C ATOM 157 C GLY A 9 10.358 0.596 4.835 1.00 0.00 C ATOM 158 O GLY A 9 11.458 0.186 4.465 1.00 0.00 O ATOM 0 H GLY A 9 10.148 -0.890 6.850 1.00 0.00 H new ATOM 0 HA2 GLY A 9 9.234 1.687 6.293 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.972 1.805 6.491 1.00 0.00 H new ATOM 162 N GLU A 10 9.288 0.615 4.046 1.00 0.00 N ATOM 163 CA GLU A 10 9.346 0.143 2.666 1.00 0.00 C ATOM 164 C GLU A 10 9.141 1.295 1.689 1.00 0.00 C ATOM 165 O GLU A 10 9.993 1.564 0.842 1.00 0.00 O ATOM 166 CB GLU A 10 8.287 -0.934 2.428 1.00 0.00 C ATOM 167 CG GLU A 10 8.818 -2.158 1.699 1.00 0.00 C ATOM 168 CD GLU A 10 7.736 -2.900 0.940 1.00 0.00 C ATOM 169 OE1 GLU A 10 7.003 -3.690 1.572 1.00 0.00 O ATOM 170 OE2 GLU A 10 7.621 -2.691 -0.286 1.00 0.00 O ATOM 0 H GLU A 10 8.371 0.952 4.338 1.00 0.00 H new ATOM 0 HA GLU A 10 10.334 -0.284 2.496 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.874 -1.244 3.388 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.467 -0.505 1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.599 -1.851 1.004 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.280 -2.833 2.419 1.00 0.00 H new ATOM 177 N THR A 11 8.001 1.968 1.813 1.00 0.00 N ATOM 178 CA THR A 11 7.668 3.093 0.946 1.00 0.00 C ATOM 179 C THR A 11 7.485 2.638 -0.500 1.00 0.00 C ATOM 180 O THR A 11 8.452 2.501 -1.250 1.00 0.00 O ATOM 181 CB THR A 11 8.746 4.182 1.027 1.00 0.00 C ATOM 182 OG1 THR A 11 9.834 3.885 0.170 1.00 0.00 O ATOM 183 CG2 THR A 11 9.302 4.376 2.422 1.00 0.00 C ATOM 0 H THR A 11 7.288 1.752 2.510 1.00 0.00 H new ATOM 0 HA THR A 11 6.724 3.511 1.295 1.00 0.00 H new ATOM 0 HB THR A 11 8.244 5.100 0.721 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.800 2.940 -0.086 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.059 5.160 2.406 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.497 4.663 3.098 1.00 0.00 H new ATOM 0 HG23 THR A 11 9.751 3.445 2.767 1.00 0.00 H new ATOM 191 N LEU A 12 6.233 2.415 -0.888 1.00 0.00 N ATOM 192 CA LEU A 12 5.914 1.988 -2.248 1.00 0.00 C ATOM 193 C LEU A 12 5.112 3.071 -2.962 1.00 0.00 C ATOM 194 O LEU A 12 4.438 3.874 -2.318 1.00 0.00 O ATOM 195 CB LEU A 12 5.142 0.659 -2.238 1.00 0.00 C ATOM 196 CG LEU A 12 3.636 0.767 -1.970 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.902 -0.440 -2.536 1.00 0.00 C ATOM 198 CD2 LEU A 12 3.372 0.903 -0.480 1.00 0.00 C ATOM 0 H LEU A 12 5.421 2.523 -0.280 1.00 0.00 H new ATOM 0 HA LEU A 12 6.847 1.829 -2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.287 0.169 -3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.582 0.010 -1.480 1.00 0.00 H new ATOM 0 HG LEU A 12 3.260 1.659 -2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.835 -0.344 -2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.065 -0.493 -3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.279 -1.348 -2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.299 0.979 -0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.763 0.029 0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.865 1.800 -0.104 1.00 0.00 H new ATOM 210 N MET A 13 5.182 3.096 -4.289 1.00 0.00 N ATOM 211 CA MET A 13 4.452 4.092 -5.059 1.00 0.00 C ATOM 212 C MET A 13 3.635 3.437 -6.163 1.00 0.00 C ATOM 213 O MET A 13 4.160 3.090 -7.221 1.00 0.00 O ATOM 214 CB MET A 13 5.422 5.108 -5.661 1.00 0.00 C ATOM 215 CG MET A 13 4.735 6.222 -6.433 1.00 0.00 C ATOM 216 SD MET A 13 5.844 7.056 -7.583 1.00 0.00 S ATOM 217 CE MET A 13 7.030 7.776 -6.450 1.00 0.00 C ATOM 0 H MET A 13 5.732 2.444 -4.848 1.00 0.00 H new ATOM 0 HA MET A 13 3.767 4.606 -4.385 1.00 0.00 H new ATOM 0 HB2 MET A 13 6.019 5.546 -4.861 1.00 0.00 H new ATOM 0 HB3 MET A 13 6.112 4.589 -6.326 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.890 5.809 -6.984 1.00 0.00 H new ATOM 0 HG3 MET A 13 4.332 6.951 -5.730 1.00 0.00 H new ATOM 0 HE1 MET A 13 7.731 8.399 -7.005 1.00 0.00 H new ATOM 0 HE2 MET A 13 6.506 8.386 -5.714 1.00 0.00 H new ATOM 0 HE3 MET A 13 7.575 6.981 -5.941 1.00 0.00 H new ATOM 227 N ILE A 14 2.344 3.273 -5.906 1.00 0.00 N ATOM 228 CA ILE A 14 1.443 2.663 -6.868 1.00 0.00 C ATOM 229 C ILE A 14 0.355 3.646 -7.291 1.00 0.00 C ATOM 230 O ILE A 14 -0.597 3.887 -6.550 1.00 0.00 O ATOM 231 CB ILE A 14 0.788 1.391 -6.287 1.00 0.00 C ATOM 232 CG1 ILE A 14 -0.163 0.761 -7.306 1.00 0.00 C ATOM 233 CG2 ILE A 14 0.053 1.713 -4.992 1.00 0.00 C ATOM 234 CD1 ILE A 14 0.506 0.428 -8.619 1.00 0.00 C ATOM 0 H ILE A 14 1.898 3.556 -5.034 1.00 0.00 H new ATOM 0 HA ILE A 14 2.035 2.387 -7.741 1.00 0.00 H new ATOM 0 HB ILE A 14 1.575 0.670 -6.064 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.589 -0.148 -6.882 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.991 1.445 -7.491 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.402 0.805 -4.597 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.758 2.112 -4.263 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.723 2.452 -5.188 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.223 -0.016 -9.297 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.908 1.338 -9.064 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.317 -0.279 -8.445 1.00 0.00 H new ATOM 246 N GLY A 15 0.503 4.217 -8.484 1.00 0.00 N ATOM 247 CA GLY A 15 -0.472 5.171 -8.982 1.00 0.00 C ATOM 248 C GLY A 15 0.120 6.086 -10.037 1.00 0.00 C ATOM 249 O GLY A 15 0.376 5.662 -11.164 1.00 0.00 O ATOM 0 H GLY A 15 1.283 4.035 -9.116 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.323 4.635 -9.403 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.850 5.769 -8.153 1.00 0.00 H new ATOM 253 N ASP A 16 0.344 7.343 -9.668 1.00 0.00 N ATOM 254 CA ASP A 16 0.918 8.322 -10.589 1.00 0.00 C ATOM 255 C ASP A 16 1.851 9.298 -9.864 1.00 0.00 C ATOM 256 O ASP A 16 2.481 10.146 -10.497 1.00 0.00 O ATOM 257 CB ASP A 16 -0.195 9.096 -11.297 1.00 0.00 C ATOM 258 CG ASP A 16 -0.552 8.494 -12.642 1.00 0.00 C ATOM 259 OD1 ASP A 16 -1.321 7.510 -12.666 1.00 0.00 O ATOM 260 OD2 ASP A 16 -0.063 9.006 -13.671 1.00 0.00 O ATOM 0 H ASP A 16 0.138 7.709 -8.739 1.00 0.00 H new ATOM 0 HA ASP A 16 1.507 7.777 -11.326 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.082 9.114 -10.663 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.118 10.131 -11.437 1.00 0.00 H new ATOM 265 N GLU A 17 1.935 9.173 -8.538 1.00 0.00 N ATOM 266 CA GLU A 17 2.785 10.038 -7.720 1.00 0.00 C ATOM 267 C GLU A 17 2.392 9.903 -6.251 1.00 0.00 C ATOM 268 O GLU A 17 2.024 10.880 -5.599 1.00 0.00 O ATOM 269 CB GLU A 17 2.668 11.503 -8.167 1.00 0.00 C ATOM 270 CG GLU A 17 3.942 12.053 -8.788 1.00 0.00 C ATOM 271 CD GLU A 17 4.208 13.492 -8.393 1.00 0.00 C ATOM 272 OE1 GLU A 17 4.437 13.746 -7.192 1.00 0.00 O ATOM 273 OE2 GLU A 17 4.185 14.366 -9.285 1.00 0.00 O ATOM 0 H GLU A 17 1.419 8.474 -8.004 1.00 0.00 H new ATOM 0 HA GLU A 17 3.822 9.727 -7.847 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.855 11.590 -8.888 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.399 12.116 -7.307 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.786 11.434 -8.484 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.872 11.985 -9.874 1.00 0.00 H new ATOM 280 N VAL A 18 2.456 8.678 -5.740 1.00 0.00 N ATOM 281 CA VAL A 18 2.092 8.403 -4.365 1.00 0.00 C ATOM 282 C VAL A 18 3.305 7.990 -3.527 1.00 0.00 C ATOM 283 O VAL A 18 4.451 8.237 -3.906 1.00 0.00 O ATOM 284 CB VAL A 18 1.023 7.295 -4.314 1.00 0.00 C ATOM 285 CG1 VAL A 18 -0.155 7.647 -5.211 1.00 0.00 C ATOM 286 CG2 VAL A 18 1.619 5.948 -4.707 1.00 0.00 C ATOM 0 H VAL A 18 2.759 7.858 -6.266 1.00 0.00 H new ATOM 0 HA VAL A 18 1.690 9.323 -3.941 1.00 0.00 H new ATOM 0 HB VAL A 18 0.661 7.217 -3.289 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.900 6.853 -5.162 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.601 8.583 -4.876 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.191 7.757 -6.239 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.845 5.181 -4.664 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.015 6.007 -5.721 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.424 5.691 -4.018 1.00 0.00 H new ATOM 296 N THR A 19 3.037 7.361 -2.385 1.00 0.00 N ATOM 297 CA THR A 19 4.079 6.904 -1.473 1.00 0.00 C ATOM 298 C THR A 19 3.444 6.451 -0.163 1.00 0.00 C ATOM 299 O THR A 19 3.043 7.275 0.656 1.00 0.00 O ATOM 300 CB THR A 19 5.098 8.017 -1.206 1.00 0.00 C ATOM 301 OG1 THR A 19 5.865 7.728 -0.051 1.00 0.00 O ATOM 302 CG2 THR A 19 4.464 9.377 -1.008 1.00 0.00 C ATOM 0 H THR A 19 2.090 7.154 -2.067 1.00 0.00 H new ATOM 0 HA THR A 19 4.604 6.067 -1.933 1.00 0.00 H new ATOM 0 HB THR A 19 5.724 8.054 -2.097 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.511 8.449 0.102 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.242 10.118 -0.823 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.906 9.652 -1.903 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.787 9.342 -0.155 1.00 0.00 H new ATOM 310 N VAL A 20 3.335 5.141 0.024 1.00 0.00 N ATOM 311 CA VAL A 20 2.724 4.599 1.232 1.00 0.00 C ATOM 312 C VAL A 20 3.747 3.898 2.122 1.00 0.00 C ATOM 313 O VAL A 20 4.260 2.831 1.778 1.00 0.00 O ATOM 314 CB VAL A 20 1.596 3.605 0.891 1.00 0.00 C ATOM 315 CG1 VAL A 20 0.836 3.202 2.146 1.00 0.00 C ATOM 316 CG2 VAL A 20 0.654 4.198 -0.145 1.00 0.00 C ATOM 0 H VAL A 20 3.659 4.438 -0.640 1.00 0.00 H new ATOM 0 HA VAL A 20 2.309 5.449 1.774 1.00 0.00 H new ATOM 0 HB VAL A 20 2.047 2.708 0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.045 2.500 1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.521 2.729 2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.397 4.088 2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.135 3.481 -0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.211 5.113 0.248 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.210 4.426 -1.054 1.00 0.00 H new ATOM 326 N THR A 21 4.037 4.509 3.267 1.00 0.00 N ATOM 327 CA THR A 21 4.994 3.950 4.217 1.00 0.00 C ATOM 328 C THR A 21 4.272 3.201 5.336 1.00 0.00 C ATOM 329 O THR A 21 3.586 3.807 6.161 1.00 0.00 O ATOM 330 CB THR A 21 5.865 5.059 4.808 1.00 0.00 C ATOM 331 OG1 THR A 21 6.301 5.947 3.795 1.00 0.00 O ATOM 332 CG2 THR A 21 7.093 4.538 5.523 1.00 0.00 C ATOM 0 H THR A 21 3.622 5.393 3.560 1.00 0.00 H new ATOM 0 HA THR A 21 5.631 3.245 3.683 1.00 0.00 H new ATOM 0 HB THR A 21 5.231 5.569 5.534 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.855 6.650 4.193 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.667 5.376 5.918 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.788 3.888 6.343 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.710 3.974 4.823 1.00 0.00 H new ATOM 340 N VAL A 22 4.428 1.881 5.354 1.00 0.00 N ATOM 341 CA VAL A 22 3.789 1.047 6.367 1.00 0.00 C ATOM 342 C VAL A 22 4.525 1.132 7.702 1.00 0.00 C ATOM 343 O VAL A 22 5.144 0.164 8.146 1.00 0.00 O ATOM 344 CB VAL A 22 3.727 -0.426 5.921 1.00 0.00 C ATOM 345 CG1 VAL A 22 2.764 -0.593 4.756 1.00 0.00 C ATOM 346 CG2 VAL A 22 5.115 -0.929 5.553 1.00 0.00 C ATOM 0 H VAL A 22 4.992 1.365 4.678 1.00 0.00 H new ATOM 0 HA VAL A 22 2.775 1.426 6.493 1.00 0.00 H new ATOM 0 HB VAL A 22 3.357 -1.024 6.754 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.734 -1.640 4.456 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.767 -0.274 5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.100 0.016 3.916 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.053 -1.971 5.240 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.515 -0.328 4.736 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.773 -0.848 6.419 1.00 0.00 H new ATOM 356 N LEU A 23 4.457 2.297 8.337 1.00 0.00 N ATOM 357 CA LEU A 23 5.120 2.508 9.619 1.00 0.00 C ATOM 358 C LEU A 23 4.144 2.275 10.781 1.00 0.00 C ATOM 359 O LEU A 23 3.310 1.372 10.718 1.00 0.00 O ATOM 360 CB LEU A 23 5.716 3.922 9.671 1.00 0.00 C ATOM 361 CG LEU A 23 6.880 4.133 10.657 1.00 0.00 C ATOM 362 CD1 LEU A 23 7.315 2.821 11.307 1.00 0.00 C ATOM 363 CD2 LEU A 23 8.059 4.792 9.954 1.00 0.00 C ATOM 0 H LEU A 23 3.950 3.109 7.985 1.00 0.00 H new ATOM 0 HA LEU A 23 5.931 1.787 9.721 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.062 4.185 8.671 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.919 4.620 9.927 1.00 0.00 H new ATOM 0 HG LEU A 23 6.525 4.792 11.449 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.138 3.012 11.996 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.476 2.390 11.854 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.642 2.124 10.536 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.873 4.934 10.665 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.398 4.155 9.137 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.751 5.759 9.557 1.00 0.00 H new ATOM 375 N GLY A 24 4.250 3.081 11.841 1.00 0.00 N ATOM 376 CA GLY A 24 3.369 2.926 12.984 1.00 0.00 C ATOM 377 C GLY A 24 3.377 1.516 13.537 1.00 0.00 C ATOM 378 O GLY A 24 2.401 0.780 13.391 1.00 0.00 O ATOM 0 H GLY A 24 4.931 3.836 11.925 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.670 3.622 13.767 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.353 3.193 12.694 1.00 0.00 H new ATOM 382 N VAL A 25 4.483 1.132 14.167 1.00 0.00 N ATOM 383 CA VAL A 25 4.607 -0.199 14.731 1.00 0.00 C ATOM 384 C VAL A 25 4.027 -0.264 16.141 1.00 0.00 C ATOM 385 O VAL A 25 4.606 0.268 17.088 1.00 0.00 O ATOM 386 CB VAL A 25 6.081 -0.648 14.773 1.00 0.00 C ATOM 387 CG1 VAL A 25 6.196 -2.088 15.255 1.00 0.00 C ATOM 388 CG2 VAL A 25 6.728 -0.480 13.406 1.00 0.00 C ATOM 0 H VAL A 25 5.302 1.726 14.297 1.00 0.00 H new ATOM 0 HA VAL A 25 4.042 -0.870 14.084 1.00 0.00 H new ATOM 0 HB VAL A 25 6.612 -0.014 15.483 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.245 -2.382 15.276 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.776 -2.171 16.257 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.649 -2.743 14.577 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.768 -0.802 13.454 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.194 -1.086 12.674 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.686 0.568 13.110 1.00 0.00 H new ATOM 398 N LYS A 26 2.877 -0.917 16.268 1.00 0.00 N ATOM 399 CA LYS A 26 2.211 -1.051 17.558 1.00 0.00 C ATOM 400 C LYS A 26 1.534 -2.411 17.686 1.00 0.00 C ATOM 401 O LYS A 26 1.126 -3.009 16.691 1.00 0.00 O ATOM 402 CB LYS A 26 1.178 0.063 17.739 1.00 0.00 C ATOM 403 CG LYS A 26 0.841 0.350 19.194 1.00 0.00 C ATOM 404 CD LYS A 26 1.518 1.620 19.684 1.00 0.00 C ATOM 405 CE LYS A 26 0.762 2.241 20.847 1.00 0.00 C ATOM 406 NZ LYS A 26 0.537 1.266 21.950 1.00 0.00 N ATOM 0 H LYS A 26 2.386 -1.362 15.492 1.00 0.00 H new ATOM 0 HA LYS A 26 2.968 -0.969 18.338 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.554 0.975 17.275 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.265 -0.210 17.210 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.239 0.446 19.306 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.152 -0.491 19.813 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.539 1.394 19.992 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.583 2.338 18.866 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.321 3.096 21.227 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.198 2.618 20.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.157 1.763 22.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.142 0.541 21.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.438 0.812 22.201 1.00 0.00 H new ATOM 420 N GLY A 27 1.416 -2.891 18.919 1.00 0.00 N ATOM 421 CA GLY A 27 0.786 -4.175 19.157 1.00 0.00 C ATOM 422 C GLY A 27 -0.668 -4.194 18.728 1.00 0.00 C ATOM 423 O GLY A 27 -1.342 -3.165 18.752 1.00 0.00 O ATOM 0 H GLY A 27 1.746 -2.413 19.758 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.331 -4.950 18.618 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.852 -4.418 20.217 1.00 0.00 H new ATOM 427 N ASN A 28 -1.148 -5.369 18.332 1.00 0.00 N ATOM 428 CA ASN A 28 -2.531 -5.531 17.889 1.00 0.00 C ATOM 429 C ASN A 28 -2.743 -4.900 16.515 1.00 0.00 C ATOM 430 O ASN A 28 -2.842 -5.604 15.511 1.00 0.00 O ATOM 431 CB ASN A 28 -3.503 -4.926 18.907 1.00 0.00 C ATOM 432 CG ASN A 28 -3.217 -5.385 20.324 1.00 0.00 C ATOM 433 OD1 ASN A 28 -3.549 -6.508 20.704 1.00 0.00 O ATOM 434 ND2 ASN A 28 -2.597 -4.516 21.114 1.00 0.00 N ATOM 0 H ASN A 28 -0.598 -6.227 18.309 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.732 -6.599 17.810 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.442 -3.839 18.861 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.523 -5.200 18.638 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -2.378 -4.769 22.077 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.340 -3.596 20.757 1.00 0.00 H new ATOM 441 N GLN A 29 -2.817 -3.572 16.473 1.00 0.00 N ATOM 442 CA GLN A 29 -3.021 -2.861 15.216 1.00 0.00 C ATOM 443 C GLN A 29 -1.875 -1.893 14.940 1.00 0.00 C ATOM 444 O GLN A 29 -1.505 -1.089 15.795 1.00 0.00 O ATOM 445 CB GLN A 29 -4.349 -2.101 15.245 1.00 0.00 C ATOM 446 CG GLN A 29 -5.534 -2.927 14.771 1.00 0.00 C ATOM 447 CD GLN A 29 -5.654 -4.250 15.502 1.00 0.00 C ATOM 448 OE1 GLN A 29 -5.582 -4.303 16.730 1.00 0.00 O ATOM 449 NE2 GLN A 29 -5.838 -5.328 14.749 1.00 0.00 N ATOM 0 H GLN A 29 -2.739 -2.969 17.292 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.048 -3.599 14.414 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.540 -1.758 16.262 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.263 -1.212 14.620 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.451 -2.354 14.912 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.436 -3.115 13.702 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.892 -5.238 13.734 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.926 -6.246 15.185 1.00 0.00 H new ATOM 458 N VAL A 30 -1.310 -1.987 13.741 1.00 0.00 N ATOM 459 CA VAL A 30 -0.195 -1.132 13.346 1.00 0.00 C ATOM 460 C VAL A 30 -0.685 0.113 12.618 1.00 0.00 C ATOM 461 O VAL A 30 -1.569 0.037 11.764 1.00 0.00 O ATOM 462 CB VAL A 30 0.797 -1.886 12.441 1.00 0.00 C ATOM 463 CG1 VAL A 30 1.588 -2.903 13.248 1.00 0.00 C ATOM 464 CG2 VAL A 30 0.065 -2.559 11.290 1.00 0.00 C ATOM 0 H VAL A 30 -1.607 -2.649 13.024 1.00 0.00 H new ATOM 0 HA VAL A 30 0.314 -0.834 14.263 1.00 0.00 H new ATOM 0 HB VAL A 30 1.499 -1.165 12.022 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.284 -3.426 12.592 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.145 -2.391 14.033 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.904 -3.622 13.698 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.782 -3.087 10.661 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.661 -3.269 11.686 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.451 -1.805 10.696 1.00 0.00 H new ATOM 474 N ARG A 31 -0.099 1.260 12.952 1.00 0.00 N ATOM 475 CA ARG A 31 -0.466 2.514 12.325 1.00 0.00 C ATOM 476 C ARG A 31 0.124 2.596 10.924 1.00 0.00 C ATOM 477 O ARG A 31 1.323 2.813 10.757 1.00 0.00 O ATOM 478 CB ARG A 31 0.014 3.696 13.172 1.00 0.00 C ATOM 479 CG ARG A 31 -1.090 4.345 13.990 1.00 0.00 C ATOM 480 CD ARG A 31 -0.947 4.030 15.471 1.00 0.00 C ATOM 481 NE ARG A 31 -2.161 4.348 16.218 1.00 0.00 N ATOM 482 CZ ARG A 31 -2.498 5.579 16.595 1.00 0.00 C ATOM 483 NH1 ARG A 31 -1.715 6.609 16.299 1.00 0.00 N ATOM 484 NH2 ARG A 31 -3.621 5.782 17.270 1.00 0.00 N ATOM 0 H ARG A 31 0.634 1.340 13.657 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.553 2.559 12.250 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.801 3.355 13.845 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.458 4.445 12.517 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.066 5.425 13.843 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.060 3.996 13.635 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.711 2.973 15.596 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.110 4.594 15.882 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.787 3.582 16.465 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.850 6.459 15.780 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.978 7.550 16.591 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.227 4.995 17.501 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.879 6.726 17.559 1.00 0.00 H new ATOM 498 N ILE A 32 -0.721 2.407 9.918 1.00 0.00 N ATOM 499 CA ILE A 32 -0.271 2.444 8.533 1.00 0.00 C ATOM 500 C ILE A 32 -0.299 3.864 7.982 1.00 0.00 C ATOM 501 O ILE A 32 -1.302 4.567 8.100 1.00 0.00 O ATOM 502 CB ILE A 32 -1.139 1.535 7.641 1.00 0.00 C ATOM 503 CG1 ILE A 32 -1.422 0.206 8.351 1.00 0.00 C ATOM 504 CG2 ILE A 32 -0.454 1.295 6.303 1.00 0.00 C ATOM 505 CD1 ILE A 32 -0.193 -0.659 8.532 1.00 0.00 C ATOM 0 H ILE A 32 -1.718 2.227 10.035 1.00 0.00 H new ATOM 0 HA ILE A 32 0.756 2.079 8.521 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.090 2.034 7.454 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.858 0.412 9.328 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.166 -0.350 7.780 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.079 0.651 5.684 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.301 2.248 5.796 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.510 0.814 6.469 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.470 -1.582 9.041 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.232 -0.896 7.557 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.545 -0.123 9.129 1.00 0.00 H new ATOM 517 N GLY A 33 0.811 4.279 7.375 1.00 0.00 N ATOM 518 CA GLY A 33 0.897 5.612 6.810 1.00 0.00 C ATOM 519 C GLY A 33 0.770 5.602 5.302 1.00 0.00 C ATOM 520 O GLY A 33 1.679 5.159 4.601 1.00 0.00 O ATOM 0 H GLY A 33 1.653 3.713 7.265 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.111 6.237 7.235 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.849 6.063 7.090 1.00 0.00 H new ATOM 524 N VAL A 34 -0.361 6.084 4.798 1.00 0.00 N ATOM 525 CA VAL A 34 -0.592 6.115 3.362 1.00 0.00 C ATOM 526 C VAL A 34 -0.506 7.533 2.810 1.00 0.00 C ATOM 527 O VAL A 34 -1.433 8.329 2.963 1.00 0.00 O ATOM 528 CB VAL A 34 -1.970 5.525 3.003 1.00 0.00 C ATOM 529 CG1 VAL A 34 -2.085 5.306 1.503 1.00 0.00 C ATOM 530 CG2 VAL A 34 -2.210 4.227 3.760 1.00 0.00 C ATOM 0 H VAL A 34 -1.127 6.456 5.360 1.00 0.00 H new ATOM 0 HA VAL A 34 0.192 5.507 2.909 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.738 6.239 3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.065 4.889 1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.964 6.258 0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.309 4.614 1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.188 3.826 3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.437 3.504 3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.177 4.420 4.832 1.00 0.00 H new ATOM 540 N ASN A 35 0.614 7.838 2.163 1.00 0.00 N ATOM 541 CA ASN A 35 0.817 9.157 1.581 1.00 0.00 C ATOM 542 C ASN A 35 0.449 9.147 0.102 1.00 0.00 C ATOM 543 O ASN A 35 1.162 8.583 -0.726 1.00 0.00 O ATOM 544 CB ASN A 35 2.268 9.609 1.761 1.00 0.00 C ATOM 545 CG ASN A 35 2.373 11.061 2.184 1.00 0.00 C ATOM 546 OD1 ASN A 35 1.512 11.878 1.858 1.00 0.00 O ATOM 547 ND2 ASN A 35 3.432 11.390 2.915 1.00 0.00 N ATOM 0 H ASN A 35 1.392 7.191 2.029 1.00 0.00 H new ATOM 0 HA ASN A 35 0.168 9.863 2.099 1.00 0.00 H new ATOM 0 HB2 ASN A 35 2.752 8.980 2.508 1.00 0.00 H new ATOM 0 HB3 ASN A 35 2.809 9.466 0.826 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.556 12.353 3.229 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.121 10.680 3.162 1.00 0.00 H new ATOM 554 N ALA A 36 -0.679 9.768 -0.215 1.00 0.00 N ATOM 555 CA ALA A 36 -1.159 9.826 -1.591 1.00 0.00 C ATOM 556 C ALA A 36 -1.655 11.223 -1.958 1.00 0.00 C ATOM 557 O ALA A 36 -2.198 11.941 -1.118 1.00 0.00 O ATOM 558 CB ALA A 36 -2.264 8.803 -1.804 1.00 0.00 C ATOM 0 H ALA A 36 -1.280 10.239 0.461 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.320 9.591 -2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.615 8.855 -2.835 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.878 7.804 -1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.092 9.016 -1.128 1.00 0.00 H new ATOM 564 N PRO A 37 -1.478 11.622 -3.230 1.00 0.00 N ATOM 565 CA PRO A 37 -1.910 12.930 -3.721 1.00 0.00 C ATOM 566 C PRO A 37 -3.398 12.958 -4.044 1.00 0.00 C ATOM 567 O PRO A 37 -4.005 11.920 -4.308 1.00 0.00 O ATOM 568 CB PRO A 37 -1.085 13.103 -4.992 1.00 0.00 C ATOM 569 CG PRO A 37 -0.915 11.717 -5.509 1.00 0.00 C ATOM 570 CD PRO A 37 -0.842 10.822 -4.298 1.00 0.00 C ATOM 0 HA PRO A 37 -1.764 13.721 -2.985 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.597 13.738 -5.715 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.123 13.570 -4.782 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.750 11.436 -6.151 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.009 11.634 -6.110 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.370 9.883 -4.462 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.189 10.569 -4.049 1.00 0.00 H new ATOM 578 N LYS A 38 -3.984 14.150 -4.023 1.00 0.00 N ATOM 579 CA LYS A 38 -5.404 14.306 -4.316 1.00 0.00 C ATOM 580 C LYS A 38 -5.633 14.599 -5.797 1.00 0.00 C ATOM 581 O LYS A 38 -6.563 15.320 -6.157 1.00 0.00 O ATOM 582 CB LYS A 38 -6.000 15.429 -3.465 1.00 0.00 C ATOM 583 CG LYS A 38 -6.385 14.989 -2.062 1.00 0.00 C ATOM 584 CD LYS A 38 -5.387 15.486 -1.027 1.00 0.00 C ATOM 585 CE LYS A 38 -5.988 15.487 0.370 1.00 0.00 C ATOM 586 NZ LYS A 38 -4.944 15.358 1.424 1.00 0.00 N ATOM 0 H LYS A 38 -3.499 15.021 -3.807 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.902 13.367 -4.072 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.279 16.244 -3.396 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.882 15.826 -3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.379 15.367 -1.821 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.439 13.901 -2.023 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.500 14.853 -1.042 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.064 16.494 -1.286 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.547 16.410 0.524 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.698 14.665 0.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.366 15.548 2.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.555 14.394 1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.182 16.042 1.243 1.00 0.00 H new ATOM 600 N GLU A 39 -4.781 14.039 -6.653 1.00 0.00 N ATOM 601 CA GLU A 39 -4.898 14.247 -8.092 1.00 0.00 C ATOM 602 C GLU A 39 -5.220 12.938 -8.808 1.00 0.00 C ATOM 603 O GLU A 39 -6.040 12.908 -9.726 1.00 0.00 O ATOM 604 CB GLU A 39 -3.603 14.840 -8.649 1.00 0.00 C ATOM 605 CG GLU A 39 -3.067 16.006 -7.834 1.00 0.00 C ATOM 606 CD GLU A 39 -3.070 17.311 -8.607 1.00 0.00 C ATOM 607 OE1 GLU A 39 -4.119 17.652 -9.192 1.00 0.00 O ATOM 608 OE2 GLU A 39 -2.022 17.990 -8.629 1.00 0.00 O ATOM 0 H GLU A 39 -4.004 13.439 -6.375 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.716 14.946 -8.267 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.844 14.058 -8.692 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.776 15.172 -9.673 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.669 16.121 -6.933 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.050 15.782 -7.512 1.00 0.00 H new ATOM 615 N VAL A 40 -4.572 11.857 -8.383 1.00 0.00 N ATOM 616 CA VAL A 40 -4.795 10.547 -8.986 1.00 0.00 C ATOM 617 C VAL A 40 -6.095 9.932 -8.479 1.00 0.00 C ATOM 618 O VAL A 40 -6.618 10.336 -7.440 1.00 0.00 O ATOM 619 CB VAL A 40 -3.627 9.581 -8.698 1.00 0.00 C ATOM 620 CG1 VAL A 40 -3.704 8.365 -9.606 1.00 0.00 C ATOM 621 CG2 VAL A 40 -2.291 10.292 -8.861 1.00 0.00 C ATOM 0 H VAL A 40 -3.890 11.862 -7.625 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.861 10.699 -10.063 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.708 9.242 -7.665 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.872 7.695 -9.388 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.645 7.842 -9.435 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.650 8.684 -10.647 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.480 9.594 -8.654 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.198 10.663 -9.882 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.237 11.129 -8.164 1.00 0.00 H new ATOM 631 N SER A 41 -6.617 8.956 -9.216 1.00 0.00 N ATOM 632 CA SER A 41 -7.860 8.295 -8.832 1.00 0.00 C ATOM 633 C SER A 41 -7.675 7.495 -7.548 1.00 0.00 C ATOM 634 O SER A 41 -7.042 6.439 -7.548 1.00 0.00 O ATOM 635 CB SER A 41 -8.349 7.381 -9.959 1.00 0.00 C ATOM 636 OG SER A 41 -9.241 6.394 -9.468 1.00 0.00 O ATOM 0 H SER A 41 -6.201 8.606 -10.079 1.00 0.00 H new ATOM 0 HA SER A 41 -8.611 9.064 -8.652 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.847 7.977 -10.724 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.496 6.899 -10.436 1.00 0.00 H new ATOM 0 HG SER A 41 -9.539 5.825 -10.208 1.00 0.00 H new ATOM 642 N VAL A 42 -8.230 8.007 -6.453 1.00 0.00 N ATOM 643 CA VAL A 42 -8.125 7.342 -5.160 1.00 0.00 C ATOM 644 C VAL A 42 -9.506 7.034 -4.586 1.00 0.00 C ATOM 645 O VAL A 42 -10.342 7.928 -4.447 1.00 0.00 O ATOM 646 CB VAL A 42 -7.340 8.204 -4.152 1.00 0.00 C ATOM 647 CG1 VAL A 42 -8.061 9.518 -3.888 1.00 0.00 C ATOM 648 CG2 VAL A 42 -7.115 7.441 -2.854 1.00 0.00 C ATOM 0 H VAL A 42 -8.757 8.880 -6.436 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.589 6.407 -5.324 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.367 8.434 -4.586 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.489 10.110 -3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.161 10.072 -4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.051 9.314 -3.480 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.559 8.067 -2.156 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.077 7.176 -2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.547 6.534 -3.059 1.00 0.00 H new ATOM 658 N HIS A 43 -9.736 5.771 -4.238 1.00 0.00 N ATOM 659 CA HIS A 43 -11.008 5.352 -3.662 1.00 0.00 C ATOM 660 C HIS A 43 -10.771 4.567 -2.377 1.00 0.00 C ATOM 661 O HIS A 43 -10.049 3.570 -2.379 1.00 0.00 O ATOM 662 CB HIS A 43 -11.792 4.499 -4.662 1.00 0.00 C ATOM 663 CG HIS A 43 -13.275 4.564 -4.470 1.00 0.00 C ATOM 664 ND1 HIS A 43 -14.123 5.190 -5.359 1.00 0.00 N ATOM 665 CD2 HIS A 43 -14.064 4.075 -3.484 1.00 0.00 C ATOM 666 CE1 HIS A 43 -15.367 5.087 -4.929 1.00 0.00 C ATOM 667 NE2 HIS A 43 -15.360 4.414 -3.793 1.00 0.00 N ATOM 0 H HIS A 43 -9.055 5.019 -4.346 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.593 6.242 -3.429 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -11.550 4.825 -5.674 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -11.468 3.462 -4.575 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -13.736 3.522 -2.616 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -16.241 5.485 -5.422 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -16.182 4.183 -3.235 1.00 0.00 H new ATOM 675 N ARG A 44 -11.374 5.013 -1.279 1.00 0.00 N ATOM 676 CA ARG A 44 -11.215 4.338 0.004 1.00 0.00 C ATOM 677 C ARG A 44 -12.390 4.656 0.923 1.00 0.00 C ATOM 678 O ARG A 44 -13.181 3.778 1.267 1.00 0.00 O ATOM 679 CB ARG A 44 -9.906 4.763 0.676 1.00 0.00 C ATOM 680 CG ARG A 44 -8.688 4.662 -0.230 1.00 0.00 C ATOM 681 CD ARG A 44 -7.418 5.083 0.493 1.00 0.00 C ATOM 682 NE ARG A 44 -7.331 4.509 1.834 1.00 0.00 N ATOM 683 CZ ARG A 44 -6.561 5.001 2.802 1.00 0.00 C ATOM 684 NH1 ARG A 44 -5.804 6.068 2.581 1.00 0.00 N ATOM 685 NH2 ARG A 44 -6.548 4.423 3.996 1.00 0.00 N ATOM 0 H ARG A 44 -11.975 5.836 -1.252 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.187 3.264 -0.179 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.004 5.792 1.023 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -9.743 4.143 1.558 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.582 3.637 -0.586 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.833 5.291 -1.108 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.550 4.774 -0.090 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.384 6.170 0.562 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.893 3.683 2.040 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.810 6.516 1.665 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.216 6.440 3.327 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.128 3.602 4.172 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.958 4.799 4.738 1.00 0.00 H new ATOM 699 N GLU A 45 -12.497 5.923 1.312 1.00 0.00 N ATOM 700 CA GLU A 45 -13.573 6.371 2.187 1.00 0.00 C ATOM 701 C GLU A 45 -13.571 7.892 2.303 1.00 0.00 C ATOM 702 O GLU A 45 -12.534 8.504 2.563 1.00 0.00 O ATOM 703 CB GLU A 45 -13.436 5.737 3.573 1.00 0.00 C ATOM 704 CG GLU A 45 -14.769 5.400 4.222 1.00 0.00 C ATOM 705 CD GLU A 45 -15.641 4.523 3.345 1.00 0.00 C ATOM 706 OE1 GLU A 45 -15.124 3.523 2.805 1.00 0.00 O ATOM 707 OE2 GLU A 45 -16.841 4.837 3.199 1.00 0.00 O ATOM 0 H GLU A 45 -11.849 6.659 1.033 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.521 6.056 1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.841 4.827 3.490 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.887 6.419 4.223 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.589 4.894 5.170 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.302 6.323 4.449 1.00 0.00 H new ATOM 714 N GLU A 46 -14.738 8.497 2.108 1.00 0.00 N ATOM 715 CA GLU A 46 -14.871 9.947 2.188 1.00 0.00 C ATOM 716 C GLU A 46 -14.446 10.461 3.559 1.00 0.00 C ATOM 717 O GLU A 46 -13.820 11.514 3.671 1.00 0.00 O ATOM 718 CB GLU A 46 -16.314 10.364 1.899 1.00 0.00 C ATOM 719 CG GLU A 46 -17.350 9.509 2.613 1.00 0.00 C ATOM 720 CD GLU A 46 -18.302 8.821 1.654 1.00 0.00 C ATOM 721 OE1 GLU A 46 -17.873 8.488 0.529 1.00 0.00 O ATOM 722 OE2 GLU A 46 -19.475 8.614 2.027 1.00 0.00 O ATOM 0 H GLU A 46 -15.606 8.005 1.893 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.214 10.387 1.438 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -16.449 11.405 2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -16.490 10.312 0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -16.841 8.757 3.216 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -17.921 10.135 3.299 1.00 0.00 H new ATOM 729 N ILE A 47 -14.792 9.711 4.600 1.00 0.00 N ATOM 730 CA ILE A 47 -14.450 10.090 5.965 1.00 0.00 C ATOM 731 C ILE A 47 -12.962 9.892 6.239 1.00 0.00 C ATOM 732 O ILE A 47 -12.316 10.739 6.855 1.00 0.00 O ATOM 733 CB ILE A 47 -15.261 9.273 6.990 1.00 0.00 C ATOM 734 CG1 ILE A 47 -16.753 9.325 6.655 1.00 0.00 C ATOM 735 CG2 ILE A 47 -15.012 9.788 8.400 1.00 0.00 C ATOM 736 CD1 ILE A 47 -17.535 8.149 7.196 1.00 0.00 C ATOM 0 H ILE A 47 -15.310 8.836 4.523 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.696 11.147 6.071 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.933 8.235 6.941 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -17.175 10.247 7.055 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -16.873 9.364 5.572 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -15.593 9.199 9.110 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -13.952 9.700 8.637 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -15.313 10.834 8.464 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -18.585 8.252 6.921 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -17.139 7.224 6.776 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -17.446 8.121 8.282 1.00 0.00 H new ATOM 748 N TYR A 48 -12.427 8.763 5.787 1.00 0.00 N ATOM 749 CA TYR A 48 -11.016 8.444 5.990 1.00 0.00 C ATOM 750 C TYR A 48 -10.111 9.597 5.564 1.00 0.00 C ATOM 751 O TYR A 48 -9.183 9.964 6.282 1.00 0.00 O ATOM 752 CB TYR A 48 -10.641 7.180 5.214 1.00 0.00 C ATOM 753 CG TYR A 48 -11.027 5.896 5.914 1.00 0.00 C ATOM 754 CD1 TYR A 48 -12.241 5.781 6.580 1.00 0.00 C ATOM 755 CD2 TYR A 48 -10.176 4.797 5.907 1.00 0.00 C ATOM 756 CE1 TYR A 48 -12.595 4.608 7.220 1.00 0.00 C ATOM 757 CE2 TYR A 48 -10.524 3.621 6.544 1.00 0.00 C ATOM 758 CZ TYR A 48 -11.734 3.532 7.199 1.00 0.00 C ATOM 759 OH TYR A 48 -12.083 2.362 7.834 1.00 0.00 O ATOM 0 H TYR A 48 -12.949 8.051 5.276 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.869 8.274 7.057 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -11.123 7.209 4.237 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.565 7.178 5.039 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -12.919 6.622 6.598 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.227 4.863 5.395 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.542 4.535 7.734 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -9.852 2.776 6.529 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.366 1.703 7.723 1.00 0.00 H new ATOM 769 N GLN A 49 -10.374 10.155 4.387 1.00 0.00 N ATOM 770 CA GLN A 49 -9.565 11.254 3.868 1.00 0.00 C ATOM 771 C GLN A 49 -10.006 12.603 4.435 1.00 0.00 C ATOM 772 O GLN A 49 -9.209 13.320 5.037 1.00 0.00 O ATOM 773 CB GLN A 49 -9.639 11.286 2.340 1.00 0.00 C ATOM 774 CG GLN A 49 -8.350 11.744 1.679 1.00 0.00 C ATOM 775 CD GLN A 49 -8.594 12.669 0.503 1.00 0.00 C ATOM 776 OE1 GLN A 49 -8.520 12.255 -0.654 1.00 0.00 O ATOM 777 NE2 GLN A 49 -8.887 13.931 0.794 1.00 0.00 N ATOM 0 H GLN A 49 -11.138 9.866 3.776 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.536 11.080 4.182 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.891 10.290 1.976 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.449 11.950 2.037 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.730 12.255 2.416 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.790 10.872 1.341 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.938 14.231 1.767 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.061 14.600 0.044 1.00 0.00 H new ATOM 786 N ARG A 50 -11.272 12.950 4.220 1.00 0.00 N ATOM 787 CA ARG A 50 -11.821 14.225 4.686 1.00 0.00 C ATOM 788 C ARG A 50 -11.634 14.445 6.191 1.00 0.00 C ATOM 789 O ARG A 50 -11.891 15.540 6.692 1.00 0.00 O ATOM 790 CB ARG A 50 -13.308 14.313 4.338 1.00 0.00 C ATOM 791 CG ARG A 50 -13.583 14.366 2.844 1.00 0.00 C ATOM 792 CD ARG A 50 -15.022 14.762 2.554 1.00 0.00 C ATOM 793 NE ARG A 50 -15.111 16.072 1.911 1.00 0.00 N ATOM 794 CZ ARG A 50 -14.909 16.276 0.611 1.00 0.00 C ATOM 795 NH1 ARG A 50 -14.602 15.261 -0.187 1.00 0.00 N ATOM 796 NH2 ARG A 50 -15.012 17.498 0.108 1.00 0.00 N ATOM 0 H ARG A 50 -11.943 12.364 3.723 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.264 15.010 4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.823 13.452 4.763 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.730 15.201 4.808 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.907 15.080 2.374 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.377 13.392 2.401 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -15.482 14.011 1.912 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.589 14.776 3.485 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.342 16.877 2.493 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.520 14.319 0.195 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.448 15.423 -1.182 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -15.246 18.282 0.717 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.857 17.654 -0.888 1.00 0.00 H new ATOM 810 N ILE A 51 -11.201 13.416 6.916 1.00 0.00 N ATOM 811 CA ILE A 51 -11.006 13.537 8.357 1.00 0.00 C ATOM 812 C ILE A 51 -9.531 13.438 8.738 1.00 0.00 C ATOM 813 O ILE A 51 -8.991 14.330 9.392 1.00 0.00 O ATOM 814 CB ILE A 51 -11.803 12.459 9.123 1.00 0.00 C ATOM 815 CG1 ILE A 51 -13.291 12.560 8.781 1.00 0.00 C ATOM 816 CG2 ILE A 51 -11.591 12.595 10.627 1.00 0.00 C ATOM 817 CD1 ILE A 51 -13.918 13.874 9.196 1.00 0.00 C ATOM 0 H ILE A 51 -10.980 12.497 6.533 1.00 0.00 H new ATOM 0 HA ILE A 51 -11.375 14.523 8.639 1.00 0.00 H new ATOM 0 HB ILE A 51 -11.438 11.479 8.817 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -13.418 12.429 7.706 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -13.824 11.743 9.267 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.162 11.825 11.146 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -10.532 12.478 10.857 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -11.927 13.579 10.954 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.973 13.876 8.923 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -13.822 13.998 10.275 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -13.411 14.695 8.690 1.00 0.00 H new ATOM 829 N GLN A 52 -8.882 12.352 8.331 1.00 0.00 N ATOM 830 CA GLN A 52 -7.471 12.152 8.643 1.00 0.00 C ATOM 831 C GLN A 52 -6.588 13.026 7.762 1.00 0.00 C ATOM 832 O GLN A 52 -5.762 13.791 8.261 1.00 0.00 O ATOM 833 CB GLN A 52 -7.085 10.681 8.479 1.00 0.00 C ATOM 834 CG GLN A 52 -7.619 9.785 9.585 1.00 0.00 C ATOM 835 CD GLN A 52 -8.886 9.055 9.184 1.00 0.00 C ATOM 836 OE1 GLN A 52 -8.921 8.360 8.169 1.00 0.00 O ATOM 837 NE2 GLN A 52 -9.936 9.210 9.982 1.00 0.00 N ATOM 0 H GLN A 52 -9.307 11.601 7.788 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.315 12.442 9.682 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.457 10.321 7.520 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.998 10.600 8.450 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.855 9.057 9.858 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.816 10.387 10.472 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.862 9.796 10.814 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.816 8.743 9.763 1.00 0.00 H new ATOM 846 N ALA A 53 -6.765 12.913 6.449 1.00 0.00 N ATOM 847 CA ALA A 53 -5.983 13.696 5.507 1.00 0.00 C ATOM 848 C ALA A 53 -6.458 15.144 5.475 1.00 0.00 C ATOM 849 O ALA A 53 -5.657 16.069 5.343 1.00 0.00 O ATOM 850 CB ALA A 53 -6.060 13.080 4.118 1.00 0.00 C ATOM 0 H ALA A 53 -7.444 12.286 6.017 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.944 13.689 5.837 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.470 13.676 3.422 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.667 12.064 4.148 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.098 13.058 3.787 1.00 0.00 H new ATOM 856 N GLU A 54 -7.768 15.332 5.598 1.00 0.00 N ATOM 857 CA GLU A 54 -8.355 16.665 5.586 1.00 0.00 C ATOM 858 C GLU A 54 -8.737 17.100 6.997 1.00 0.00 C ATOM 859 O GLU A 54 -9.506 16.426 7.681 1.00 0.00 O ATOM 860 CB GLU A 54 -9.584 16.699 4.676 1.00 0.00 C ATOM 861 CG GLU A 54 -9.766 18.021 3.948 1.00 0.00 C ATOM 862 CD GLU A 54 -8.670 18.285 2.934 1.00 0.00 C ATOM 863 OE1 GLU A 54 -8.680 17.636 1.867 1.00 0.00 O ATOM 864 OE2 GLU A 54 -7.802 19.140 3.207 1.00 0.00 O ATOM 0 H GLU A 54 -8.444 14.576 5.707 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.610 17.360 5.199 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.504 15.897 3.942 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.473 16.497 5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.732 18.023 3.442 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.786 18.832 4.676 1.00 0.00 H new ATOM 871 N LYS A 55 -8.180 18.229 7.425 1.00 0.00 N ATOM 872 CA LYS A 55 -8.433 18.775 8.753 1.00 0.00 C ATOM 873 C LYS A 55 -9.906 18.662 9.144 1.00 0.00 C ATOM 874 O LYS A 55 -10.723 19.506 8.776 1.00 0.00 O ATOM 875 CB LYS A 55 -7.991 20.239 8.813 1.00 0.00 C ATOM 876 CG LYS A 55 -7.215 20.590 10.072 1.00 0.00 C ATOM 877 CD LYS A 55 -8.126 21.156 11.149 1.00 0.00 C ATOM 878 CE LYS A 55 -7.519 20.994 12.533 1.00 0.00 C ATOM 879 NZ LYS A 55 -8.564 20.827 13.581 1.00 0.00 N ATOM 0 H LYS A 55 -7.541 18.790 6.861 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.853 18.188 9.465 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.373 20.459 7.942 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.871 20.878 8.749 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.712 19.700 10.450 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.439 21.317 9.832 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.311 22.212 10.953 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.092 20.651 11.113 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.856 20.129 12.540 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.907 21.866 12.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.110 20.720 14.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.181 21.664 13.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.132 19.981 13.373 1.00 0.00 H new ATOM 983 N MET B 1 0.203 13.157 5.339 1.00 0.00 N ATOM 984 CA MET B 1 -0.203 11.765 5.014 1.00 0.00 C ATOM 985 C MET B 1 -1.383 11.320 5.872 1.00 0.00 C ATOM 986 O MET B 1 -1.855 12.065 6.731 1.00 0.00 O ATOM 987 CB MET B 1 0.994 10.841 5.245 1.00 0.00 C ATOM 988 CG MET B 1 1.485 10.829 6.683 1.00 0.00 C ATOM 989 SD MET B 1 2.909 11.906 6.940 1.00 0.00 S ATOM 990 CE MET B 1 3.872 10.925 8.087 1.00 0.00 C ATOM 0 H1 MET B 1 0.245 13.719 4.465 1.00 0.00 H new ATOM 0 H2 MET B 1 -0.491 13.578 5.989 1.00 0.00 H new ATOM 0 H3 MET B 1 1.140 13.149 5.791 1.00 0.00 H new ATOM 0 HA MET B 1 -0.518 11.719 3.972 1.00 0.00 H new ATOM 0 HB2 MET B 1 0.720 9.827 4.955 1.00 0.00 H new ATOM 0 HB3 MET B 1 1.811 11.149 4.593 1.00 0.00 H new ATOM 0 HG2 MET B 1 0.675 11.141 7.342 1.00 0.00 H new ATOM 0 HG3 MET B 1 1.750 9.810 6.964 1.00 0.00 H new ATOM 0 HE1 MET B 1 4.787 11.459 8.343 1.00 0.00 H new ATOM 0 HE2 MET B 1 3.290 10.748 8.992 1.00 0.00 H new ATOM 0 HE3 MET B 1 4.125 9.970 7.626 1.00 0.00 H new ATOM 1002 N LEU B 2 -1.856 10.101 5.632 1.00 0.00 N ATOM 1003 CA LEU B 2 -2.982 9.557 6.382 1.00 0.00 C ATOM 1004 C LEU B 2 -2.559 8.331 7.186 1.00 0.00 C ATOM 1005 O LEU B 2 -2.404 7.241 6.634 1.00 0.00 O ATOM 1006 CB LEU B 2 -4.120 9.187 5.427 1.00 0.00 C ATOM 1007 CG LEU B 2 -5.448 8.839 6.103 1.00 0.00 C ATOM 1008 CD1 LEU B 2 -6.616 9.395 5.303 1.00 0.00 C ATOM 1009 CD2 LEU B 2 -5.583 7.332 6.267 1.00 0.00 C ATOM 0 H LEU B 2 -1.477 9.472 4.924 1.00 0.00 H new ATOM 0 HA LEU B 2 -3.330 10.321 7.077 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -4.285 10.020 4.744 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -3.804 8.337 4.822 1.00 0.00 H new ATOM 0 HG LEU B 2 -5.461 9.296 7.092 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -7.552 9.138 5.799 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -6.527 10.479 5.235 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -6.607 8.967 4.301 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -6.533 7.102 6.749 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -5.549 6.855 5.288 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -4.764 6.958 6.882 1.00 0.00 H new ATOM 1021 N ILE B 3 -2.377 8.510 8.493 1.00 0.00 N ATOM 1022 CA ILE B 3 -1.978 7.407 9.359 1.00 0.00 C ATOM 1023 C ILE B 3 -3.190 6.811 10.069 1.00 0.00 C ATOM 1024 O ILE B 3 -3.729 7.393 11.010 1.00 0.00 O ATOM 1025 CB ILE B 3 -0.919 7.852 10.394 1.00 0.00 C ATOM 1026 CG1 ILE B 3 -0.342 6.638 11.127 1.00 0.00 C ATOM 1027 CG2 ILE B 3 -1.507 8.846 11.385 1.00 0.00 C ATOM 1028 CD1 ILE B 3 1.129 6.783 11.469 1.00 0.00 C ATOM 0 H ILE B 3 -2.499 9.403 8.971 1.00 0.00 H new ATOM 0 HA ILE B 3 -1.529 6.642 8.726 1.00 0.00 H new ATOM 0 HB ILE B 3 -0.111 8.350 9.858 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -0.906 6.475 12.045 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -0.478 5.751 10.508 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -0.741 9.142 12.101 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -1.863 9.726 10.850 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -2.339 8.383 11.915 1.00 0.00 H new ATOM 0 HD11 ILE B 3 1.472 5.887 11.987 1.00 0.00 H new ATOM 0 HD12 ILE B 3 1.704 6.915 10.553 1.00 0.00 H new ATOM 0 HD13 ILE B 3 1.269 7.651 12.114 1.00 0.00 H new ATOM 1040 N LEU B 4 -3.605 5.634 9.611 1.00 0.00 N ATOM 1041 CA LEU B 4 -4.743 4.935 10.195 1.00 0.00 C ATOM 1042 C LEU B 4 -4.354 3.520 10.614 1.00 0.00 C ATOM 1043 O LEU B 4 -3.917 2.723 9.782 1.00 0.00 O ATOM 1044 CB LEU B 4 -5.904 4.884 9.200 1.00 0.00 C ATOM 1045 CG LEU B 4 -7.297 4.830 9.830 1.00 0.00 C ATOM 1046 CD1 LEU B 4 -7.524 6.036 10.728 1.00 0.00 C ATOM 1047 CD2 LEU B 4 -8.367 4.757 8.751 1.00 0.00 C ATOM 0 H LEU B 4 -3.167 5.142 8.832 1.00 0.00 H new ATOM 0 HA LEU B 4 -5.059 5.484 11.082 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -5.848 5.761 8.555 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -5.777 4.010 8.562 1.00 0.00 H new ATOM 0 HG LEU B 4 -7.364 3.930 10.442 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -8.520 5.980 11.167 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -6.777 6.044 11.522 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -7.438 6.949 10.139 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -9.352 4.719 9.217 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -8.301 5.638 8.113 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -8.216 3.861 8.149 1.00 0.00 H new ATOM 1059 N THR B 5 -4.513 3.197 11.894 1.00 0.00 N ATOM 1060 CA THR B 5 -4.175 1.861 12.374 1.00 0.00 C ATOM 1061 C THR B 5 -4.951 0.808 11.600 1.00 0.00 C ATOM 1062 O THR B 5 -6.068 1.056 11.147 1.00 0.00 O ATOM 1063 CB THR B 5 -4.468 1.719 13.867 1.00 0.00 C ATOM 1064 OG1 THR B 5 -4.723 2.983 14.456 1.00 0.00 O ATOM 1065 CG2 THR B 5 -3.334 1.073 14.631 1.00 0.00 C ATOM 0 H THR B 5 -4.869 3.832 12.609 1.00 0.00 H new ATOM 0 HA THR B 5 -3.107 1.713 12.215 1.00 0.00 H new ATOM 0 HB THR B 5 -5.346 1.076 13.932 1.00 0.00 H new ATOM 0 HG1 THR B 5 -4.910 2.867 15.411 1.00 0.00 H new ATOM 0 HG21 THR B 5 -3.601 1.000 15.685 1.00 0.00 H new ATOM 0 HG22 THR B 5 -3.149 0.075 14.233 1.00 0.00 H new ATOM 0 HG23 THR B 5 -2.433 1.678 14.526 1.00 0.00 H new ATOM 1073 N ARG B 6 -4.355 -0.366 11.446 1.00 0.00 N ATOM 1074 CA ARG B 6 -5.003 -1.446 10.720 1.00 0.00 C ATOM 1075 C ARG B 6 -4.132 -2.694 10.686 1.00 0.00 C ATOM 1076 O ARG B 6 -2.908 -2.616 10.577 1.00 0.00 O ATOM 1077 CB ARG B 6 -5.329 -1.002 9.293 1.00 0.00 C ATOM 1078 CG ARG B 6 -6.719 -1.404 8.833 1.00 0.00 C ATOM 1079 CD ARG B 6 -7.800 -0.689 9.627 1.00 0.00 C ATOM 1080 NE ARG B 6 -9.081 -1.388 9.559 1.00 0.00 N ATOM 1081 CZ ARG B 6 -10.246 -0.834 9.885 1.00 0.00 C ATOM 1082 NH1 ARG B 6 -10.296 0.424 10.304 1.00 0.00 N ATOM 1083 NH2 ARG B 6 -11.364 -1.540 9.792 1.00 0.00 N ATOM 0 H ARG B 6 -3.430 -0.593 11.812 1.00 0.00 H new ATOM 0 HA ARG B 6 -5.927 -1.691 11.243 1.00 0.00 H new ATOM 0 HB2 ARG B 6 -5.233 0.082 9.228 1.00 0.00 H new ATOM 0 HB3 ARG B 6 -4.593 -1.428 8.612 1.00 0.00 H new ATOM 0 HG2 ARG B 6 -6.833 -1.174 7.774 1.00 0.00 H new ATOM 0 HG3 ARG B 6 -6.841 -2.482 8.940 1.00 0.00 H new ATOM 0 HD2 ARG B 6 -7.489 -0.603 10.668 1.00 0.00 H new ATOM 0 HD3 ARG B 6 -7.919 0.325 9.245 1.00 0.00 H new ATOM 0 HE ARG B 6 -9.082 -2.358 9.243 1.00 0.00 H new ATOM 0 HH11 ARG B 6 -9.439 0.972 10.378 1.00 0.00 H new ATOM 0 HH12 ARG B 6 -11.192 0.844 10.553 1.00 0.00 H new ATOM 0 HH21 ARG B 6 -11.331 -2.508 9.471 1.00 0.00 H new ATOM 0 HH22 ARG B 6 -12.257 -1.116 10.042 1.00 0.00 H new ATOM 1097 N ARG B 7 -4.783 -3.844 10.777 1.00 0.00 N ATOM 1098 CA ARG B 7 -4.090 -5.126 10.749 1.00 0.00 C ATOM 1099 C ARG B 7 -5.079 -6.283 10.627 1.00 0.00 C ATOM 1100 O ARG B 7 -4.778 -7.413 11.012 1.00 0.00 O ATOM 1101 CB ARG B 7 -3.238 -5.296 12.007 1.00 0.00 C ATOM 1102 CG ARG B 7 -2.179 -6.379 11.884 1.00 0.00 C ATOM 1103 CD ARG B 7 -1.571 -6.711 13.237 1.00 0.00 C ATOM 1104 NE ARG B 7 -0.376 -7.542 13.113 1.00 0.00 N ATOM 1105 CZ ARG B 7 0.521 -7.699 14.083 1.00 0.00 C ATOM 1106 NH1 ARG B 7 0.365 -7.081 15.247 1.00 0.00 N ATOM 1107 NH2 ARG B 7 1.578 -8.476 13.890 1.00 0.00 N ATOM 0 H ARG B 7 -5.796 -3.917 10.871 1.00 0.00 H new ATOM 0 HA ARG B 7 -3.440 -5.138 9.874 1.00 0.00 H new ATOM 0 HB2 ARG B 7 -2.751 -4.348 12.237 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -3.890 -5.531 12.848 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -2.622 -7.276 11.451 1.00 0.00 H new ATOM 0 HG3 ARG B 7 -1.396 -6.049 11.202 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -1.317 -5.787 13.757 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -2.310 -7.228 13.849 1.00 0.00 H new ATOM 0 HE ARG B 7 -0.220 -8.030 12.231 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -0.446 -6.482 15.402 1.00 0.00 H new ATOM 0 HH12 ARG B 7 1.056 -7.205 15.987 1.00 0.00 H new ATOM 0 HH21 ARG B 7 1.704 -8.954 12.998 1.00 0.00 H new ATOM 0 HH22 ARG B 7 2.265 -8.596 14.634 1.00 0.00 H new ATOM 1121 N VAL B 8 -6.265 -5.996 10.094 1.00 0.00 N ATOM 1122 CA VAL B 8 -7.294 -7.015 9.930 1.00 0.00 C ATOM 1123 C VAL B 8 -7.802 -7.058 8.493 1.00 0.00 C ATOM 1124 O VAL B 8 -7.809 -8.113 7.859 1.00 0.00 O ATOM 1125 CB VAL B 8 -8.485 -6.768 10.877 1.00 0.00 C ATOM 1126 CG1 VAL B 8 -9.349 -8.015 10.984 1.00 0.00 C ATOM 1127 CG2 VAL B 8 -7.998 -6.330 12.252 1.00 0.00 C ATOM 0 H VAL B 8 -6.535 -5.067 9.770 1.00 0.00 H new ATOM 0 HA VAL B 8 -6.834 -7.972 10.178 1.00 0.00 H new ATOM 0 HB VAL B 8 -9.093 -5.965 10.461 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -10.185 -7.822 11.657 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -9.730 -8.279 9.998 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -8.752 -8.839 11.375 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -8.855 -6.161 12.905 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -7.365 -7.108 12.679 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -7.426 -5.407 12.158 1.00 0.00 H new ATOM 1137 N GLY B 9 -8.227 -5.906 7.983 1.00 0.00 N ATOM 1138 CA GLY B 9 -8.730 -5.839 6.623 1.00 0.00 C ATOM 1139 C GLY B 9 -9.274 -4.469 6.267 1.00 0.00 C ATOM 1140 O GLY B 9 -10.361 -4.092 6.706 1.00 0.00 O ATOM 0 H GLY B 9 -8.232 -5.019 8.487 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -7.929 -6.099 5.931 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -9.517 -6.583 6.494 1.00 0.00 H new ATOM 1144 N GLU B 10 -8.518 -3.723 5.467 1.00 0.00 N ATOM 1145 CA GLU B 10 -8.929 -2.387 5.049 1.00 0.00 C ATOM 1146 C GLU B 10 -9.212 -2.350 3.552 1.00 0.00 C ATOM 1147 O GLU B 10 -10.314 -2.007 3.126 1.00 0.00 O ATOM 1148 CB GLU B 10 -7.848 -1.364 5.400 1.00 0.00 C ATOM 1149 CG GLU B 10 -8.391 -0.113 6.072 1.00 0.00 C ATOM 1150 CD GLU B 10 -7.500 1.095 5.862 1.00 0.00 C ATOM 1151 OE1 GLU B 10 -6.497 1.228 6.595 1.00 0.00 O ATOM 1152 OE2 GLU B 10 -7.804 1.908 4.963 1.00 0.00 O ATOM 0 H GLU B 10 -7.616 -4.022 5.095 1.00 0.00 H new ATOM 0 HA GLU B 10 -9.846 -2.133 5.581 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -7.116 -1.832 6.059 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -7.321 -1.078 4.490 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -9.386 0.102 5.682 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -8.501 -0.298 7.141 1.00 0.00 H new ATOM 1159 N THR B 11 -8.203 -2.702 2.760 1.00 0.00 N ATOM 1160 CA THR B 11 -8.328 -2.711 1.306 1.00 0.00 C ATOM 1161 C THR B 11 -8.537 -1.300 0.762 1.00 0.00 C ATOM 1162 O THR B 11 -9.657 -0.790 0.736 1.00 0.00 O ATOM 1163 CB THR B 11 -9.477 -3.626 0.863 1.00 0.00 C ATOM 1164 OG1 THR B 11 -10.720 -2.951 0.933 1.00 0.00 O ATOM 1165 CG2 THR B 11 -9.595 -4.888 1.691 1.00 0.00 C ATOM 0 H THR B 11 -7.285 -2.986 3.103 1.00 0.00 H new ATOM 0 HA THR B 11 -7.396 -3.100 0.897 1.00 0.00 H new ATOM 0 HB THR B 11 -9.237 -3.904 -0.163 1.00 0.00 H new ATOM 0 HG1 THR B 11 -10.608 -2.110 1.424 1.00 0.00 H new ATOM 0 HG21 THR B 11 -10.427 -5.488 1.323 1.00 0.00 H new ATOM 0 HG22 THR B 11 -8.672 -5.462 1.613 1.00 0.00 H new ATOM 0 HG23 THR B 11 -9.771 -4.624 2.734 1.00 0.00 H new ATOM 1173 N LEU B 12 -7.448 -0.677 0.320 1.00 0.00 N ATOM 1174 CA LEU B 12 -7.507 0.671 -0.238 1.00 0.00 C ATOM 1175 C LEU B 12 -7.138 0.643 -1.717 1.00 0.00 C ATOM 1176 O LEU B 12 -6.424 -0.255 -2.164 1.00 0.00 O ATOM 1177 CB LEU B 12 -6.580 1.623 0.534 1.00 0.00 C ATOM 1178 CG LEU B 12 -5.099 1.577 0.140 1.00 0.00 C ATOM 1179 CD1 LEU B 12 -4.407 2.883 0.501 1.00 0.00 C ATOM 1180 CD2 LEU B 12 -4.409 0.402 0.812 1.00 0.00 C ATOM 0 H LEU B 12 -6.513 -1.084 0.337 1.00 0.00 H new ATOM 0 HA LEU B 12 -8.527 1.042 -0.139 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -6.941 2.642 0.397 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -6.661 1.396 1.597 1.00 0.00 H new ATOM 0 HG LEU B 12 -5.033 1.444 -0.940 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -3.357 2.830 0.213 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -4.887 3.707 -0.027 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -4.481 3.049 1.576 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -3.358 0.383 0.522 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -4.485 0.506 1.894 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -4.888 -0.527 0.502 1.00 0.00 H new ATOM 1192 N MET B 13 -7.619 1.622 -2.476 1.00 0.00 N ATOM 1193 CA MET B 13 -7.320 1.680 -3.899 1.00 0.00 C ATOM 1194 C MET B 13 -6.798 3.055 -4.292 1.00 0.00 C ATOM 1195 O MET B 13 -7.568 3.997 -4.474 1.00 0.00 O ATOM 1196 CB MET B 13 -8.570 1.345 -4.714 1.00 0.00 C ATOM 1197 CG MET B 13 -8.330 1.323 -6.214 1.00 0.00 C ATOM 1198 SD MET B 13 -9.854 1.498 -7.163 1.00 0.00 S ATOM 1199 CE MET B 13 -10.722 0.006 -6.688 1.00 0.00 C ATOM 0 H MET B 13 -8.211 2.378 -2.133 1.00 0.00 H new ATOM 0 HA MET B 13 -6.544 0.945 -4.112 1.00 0.00 H new ATOM 0 HB2 MET B 13 -8.948 0.372 -4.401 1.00 0.00 H new ATOM 0 HB3 MET B 13 -9.347 2.076 -4.489 1.00 0.00 H new ATOM 0 HG2 MET B 13 -7.646 2.129 -6.481 1.00 0.00 H new ATOM 0 HG3 MET B 13 -7.842 0.387 -6.486 1.00 0.00 H new ATOM 0 HE1 MET B 13 -11.654 -0.066 -7.248 1.00 0.00 H new ATOM 0 HE2 MET B 13 -10.100 -0.862 -6.906 1.00 0.00 H new ATOM 0 HE3 MET B 13 -10.941 0.037 -5.621 1.00 0.00 H new ATOM 1209 N ILE B 14 -5.482 3.157 -4.420 1.00 0.00 N ATOM 1210 CA ILE B 14 -4.844 4.407 -4.791 1.00 0.00 C ATOM 1211 C ILE B 14 -4.100 4.265 -6.117 1.00 0.00 C ATOM 1212 O ILE B 14 -3.012 3.692 -6.168 1.00 0.00 O ATOM 1213 CB ILE B 14 -3.859 4.874 -3.697 1.00 0.00 C ATOM 1214 CG1 ILE B 14 -3.188 6.189 -4.101 1.00 0.00 C ATOM 1215 CG2 ILE B 14 -2.815 3.798 -3.425 1.00 0.00 C ATOM 1216 CD1 ILE B 14 -4.174 7.295 -4.397 1.00 0.00 C ATOM 0 H ILE B 14 -4.835 2.383 -4.271 1.00 0.00 H new ATOM 0 HA ILE B 14 -5.630 5.154 -4.901 1.00 0.00 H new ATOM 0 HB ILE B 14 -4.421 5.047 -2.779 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -2.522 6.510 -3.300 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -2.569 6.018 -4.982 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -2.129 4.144 -2.652 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -3.310 2.887 -3.090 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -2.258 3.593 -4.339 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -3.633 8.199 -4.677 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -4.825 6.992 -5.218 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -4.776 7.492 -3.510 1.00 0.00 H new ATOM 1228 N GLY B 15 -4.695 4.783 -7.188 1.00 0.00 N ATOM 1229 CA GLY B 15 -4.076 4.698 -8.500 1.00 0.00 C ATOM 1230 C GLY B 15 -5.096 4.827 -9.616 1.00 0.00 C ATOM 1231 O GLY B 15 -5.621 5.913 -9.863 1.00 0.00 O ATOM 0 H GLY B 15 -5.596 5.261 -7.171 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -3.327 5.484 -8.600 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -3.553 3.746 -8.594 1.00 0.00 H new ATOM 1235 N ASP B 16 -5.379 3.715 -10.285 1.00 0.00 N ATOM 1236 CA ASP B 16 -6.349 3.704 -11.378 1.00 0.00 C ATOM 1237 C ASP B 16 -7.146 2.395 -11.411 1.00 0.00 C ATOM 1238 O ASP B 16 -8.061 2.241 -12.221 1.00 0.00 O ATOM 1239 CB ASP B 16 -5.640 3.914 -12.717 1.00 0.00 C ATOM 1240 CG ASP B 16 -5.632 5.369 -13.144 1.00 0.00 C ATOM 1241 OD1 ASP B 16 -4.771 6.127 -12.652 1.00 0.00 O ATOM 1242 OD2 ASP B 16 -6.487 5.749 -13.972 1.00 0.00 O ATOM 0 H ASP B 16 -4.952 2.809 -10.091 1.00 0.00 H new ATOM 0 HA ASP B 16 -7.049 4.522 -11.206 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -4.614 3.554 -12.642 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -6.132 3.316 -13.484 1.00 0.00 H new ATOM 1247 N GLU B 17 -6.795 1.457 -10.528 1.00 0.00 N ATOM 1248 CA GLU B 17 -7.468 0.161 -10.448 1.00 0.00 C ATOM 1249 C GLU B 17 -6.624 -0.806 -9.624 1.00 0.00 C ATOM 1250 O GLU B 17 -6.222 -1.867 -10.103 1.00 0.00 O ATOM 1251 CB GLU B 17 -7.715 -0.414 -11.851 1.00 0.00 C ATOM 1252 CG GLU B 17 -9.186 -0.484 -12.229 1.00 0.00 C ATOM 1253 CD GLU B 17 -9.528 -1.738 -13.010 1.00 0.00 C ATOM 1254 OE1 GLU B 17 -9.409 -2.843 -12.440 1.00 0.00 O ATOM 1255 OE2 GLU B 17 -9.914 -1.614 -14.191 1.00 0.00 O ATOM 0 H GLU B 17 -6.040 1.575 -9.852 1.00 0.00 H new ATOM 0 HA GLU B 17 -8.434 0.299 -9.963 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -7.189 0.198 -12.583 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -7.286 -1.415 -11.905 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -9.792 -0.447 -11.324 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -9.447 0.392 -12.823 1.00 0.00 H new ATOM 1262 N VAL B 18 -6.342 -0.423 -8.382 1.00 0.00 N ATOM 1263 CA VAL B 18 -5.533 -1.235 -7.497 1.00 0.00 C ATOM 1264 C VAL B 18 -6.351 -1.788 -6.326 1.00 0.00 C ATOM 1265 O VAL B 18 -7.580 -1.829 -6.375 1.00 0.00 O ATOM 1266 CB VAL B 18 -4.348 -0.409 -6.960 1.00 0.00 C ATOM 1267 CG1 VAL B 18 -3.573 0.221 -8.108 1.00 0.00 C ATOM 1268 CG2 VAL B 18 -4.828 0.655 -5.982 1.00 0.00 C ATOM 0 H VAL B 18 -6.667 0.451 -7.970 1.00 0.00 H new ATOM 0 HA VAL B 18 -5.161 -2.081 -8.074 1.00 0.00 H new ATOM 0 HB VAL B 18 -3.678 -1.081 -6.423 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -2.740 0.800 -7.710 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -3.190 -0.563 -8.762 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -4.233 0.877 -8.676 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -3.974 1.225 -5.617 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -5.523 1.326 -6.487 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -5.331 0.176 -5.142 1.00 0.00 H new ATOM 1278 N THR B 19 -5.650 -2.212 -5.277 1.00 0.00 N ATOM 1279 CA THR B 19 -6.277 -2.768 -4.083 1.00 0.00 C ATOM 1280 C THR B 19 -5.207 -3.377 -3.185 1.00 0.00 C ATOM 1281 O THR B 19 -4.700 -4.462 -3.461 1.00 0.00 O ATOM 1282 CB THR B 19 -7.317 -3.829 -4.456 1.00 0.00 C ATOM 1283 OG1 THR B 19 -7.636 -4.635 -3.335 1.00 0.00 O ATOM 1284 CG2 THR B 19 -6.863 -4.750 -5.568 1.00 0.00 C ATOM 0 H THR B 19 -4.632 -2.179 -5.232 1.00 0.00 H new ATOM 0 HA THR B 19 -6.788 -1.966 -3.550 1.00 0.00 H new ATOM 0 HB THR B 19 -8.186 -3.270 -4.802 1.00 0.00 H new ATOM 0 HG1 THR B 19 -8.303 -5.305 -3.593 1.00 0.00 H new ATOM 0 HG21 THR B 19 -7.647 -5.477 -5.782 1.00 0.00 H new ATOM 0 HG22 THR B 19 -6.657 -4.165 -6.464 1.00 0.00 H new ATOM 0 HG23 THR B 19 -5.958 -5.273 -5.260 1.00 0.00 H new ATOM 1292 N VAL B 20 -4.851 -2.669 -2.119 1.00 0.00 N ATOM 1293 CA VAL B 20 -3.822 -3.148 -1.203 1.00 0.00 C ATOM 1294 C VAL B 20 -4.401 -3.528 0.157 1.00 0.00 C ATOM 1295 O VAL B 20 -4.831 -2.665 0.926 1.00 0.00 O ATOM 1296 CB VAL B 20 -2.721 -2.089 -0.996 1.00 0.00 C ATOM 1297 CG1 VAL B 20 -1.557 -2.669 -0.206 1.00 0.00 C ATOM 1298 CG2 VAL B 20 -2.246 -1.541 -2.333 1.00 0.00 C ATOM 0 H VAL B 20 -5.256 -1.767 -1.869 1.00 0.00 H new ATOM 0 HA VAL B 20 -3.392 -4.037 -1.664 1.00 0.00 H new ATOM 0 HB VAL B 20 -3.144 -1.265 -0.421 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -0.792 -1.905 -0.072 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -1.910 -3.004 0.769 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -1.134 -3.514 -0.749 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -1.469 -0.795 -2.165 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -1.844 -2.354 -2.937 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -3.084 -1.080 -2.856 1.00 0.00 H new ATOM 1308 N THR B 21 -4.410 -4.827 0.443 1.00 0.00 N ATOM 1309 CA THR B 21 -4.930 -5.333 1.709 1.00 0.00 C ATOM 1310 C THR B 21 -3.794 -5.597 2.695 1.00 0.00 C ATOM 1311 O THR B 21 -2.984 -6.504 2.498 1.00 0.00 O ATOM 1312 CB THR B 21 -5.730 -6.616 1.479 1.00 0.00 C ATOM 1313 OG1 THR B 21 -6.586 -6.479 0.359 1.00 0.00 O ATOM 1314 CG2 THR B 21 -6.584 -7.010 2.665 1.00 0.00 C ATOM 0 H THR B 21 -4.062 -5.550 -0.187 1.00 0.00 H new ATOM 0 HA THR B 21 -5.588 -4.575 2.134 1.00 0.00 H new ATOM 0 HB THR B 21 -4.986 -7.395 1.314 1.00 0.00 H new ATOM 0 HG1 THR B 21 -7.088 -7.310 0.227 1.00 0.00 H new ATOM 0 HG21 THR B 21 -7.125 -7.928 2.435 1.00 0.00 H new ATOM 0 HG22 THR B 21 -5.947 -7.172 3.534 1.00 0.00 H new ATOM 0 HG23 THR B 21 -7.296 -6.214 2.881 1.00 0.00 H new ATOM 1322 N VAL B 22 -3.738 -4.794 3.753 1.00 0.00 N ATOM 1323 CA VAL B 22 -2.699 -4.935 4.769 1.00 0.00 C ATOM 1324 C VAL B 22 -2.989 -6.110 5.700 1.00 0.00 C ATOM 1325 O VAL B 22 -3.287 -5.923 6.880 1.00 0.00 O ATOM 1326 CB VAL B 22 -2.559 -3.651 5.609 1.00 0.00 C ATOM 1327 CG1 VAL B 22 -1.992 -2.519 4.767 1.00 0.00 C ATOM 1328 CG2 VAL B 22 -3.901 -3.260 6.208 1.00 0.00 C ATOM 0 H VAL B 22 -4.400 -4.038 3.930 1.00 0.00 H new ATOM 0 HA VAL B 22 -1.764 -5.120 4.240 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.864 -3.846 6.426 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -1.901 -1.621 5.378 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -1.009 -2.803 4.390 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -2.659 -2.320 3.928 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -3.785 -2.351 6.798 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -4.619 -3.083 5.407 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -4.262 -4.065 6.848 1.00 0.00 H new ATOM 1338 N LEU B 23 -2.901 -7.322 5.162 1.00 0.00 N ATOM 1339 CA LEU B 23 -3.157 -8.525 5.945 1.00 0.00 C ATOM 1340 C LEU B 23 -1.845 -9.111 6.486 1.00 0.00 C ATOM 1341 O LEU B 23 -0.947 -8.365 6.875 1.00 0.00 O ATOM 1342 CB LEU B 23 -3.911 -9.553 5.090 1.00 0.00 C ATOM 1343 CG LEU B 23 -4.730 -10.608 5.858 1.00 0.00 C ATOM 1344 CD1 LEU B 23 -4.741 -10.330 7.359 1.00 0.00 C ATOM 1345 CD2 LEU B 23 -6.153 -10.670 5.320 1.00 0.00 C ATOM 0 H LEU B 23 -2.655 -7.497 4.188 1.00 0.00 H new ATOM 0 HA LEU B 23 -3.779 -8.264 6.801 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -4.585 -9.015 4.423 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -3.188 -10.072 4.461 1.00 0.00 H new ATOM 0 HG LEU B 23 -4.250 -11.575 5.704 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -5.328 -11.095 7.866 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -3.720 -10.345 7.739 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -5.183 -9.351 7.544 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -6.719 -11.420 5.873 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -6.629 -9.697 5.438 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -6.131 -10.938 4.264 1.00 0.00 H new ATOM 1357 N GLY B 24 -1.736 -10.443 6.518 1.00 0.00 N ATOM 1358 CA GLY B 24 -0.531 -11.078 7.019 1.00 0.00 C ATOM 1359 C GLY B 24 -0.157 -10.601 8.408 1.00 0.00 C ATOM 1360 O GLY B 24 0.824 -9.877 8.578 1.00 0.00 O ATOM 0 H GLY B 24 -2.462 -11.088 6.206 1.00 0.00 H new ATOM 0 HA2 GLY B 24 -0.674 -12.158 7.036 1.00 0.00 H new ATOM 0 HA3 GLY B 24 0.293 -10.876 6.335 1.00 0.00 H new ATOM 1364 N VAL B 25 -0.942 -10.999 9.403 1.00 0.00 N ATOM 1365 CA VAL B 25 -0.686 -10.598 10.774 1.00 0.00 C ATOM 1366 C VAL B 25 0.306 -11.538 11.454 1.00 0.00 C ATOM 1367 O VAL B 25 -0.023 -12.679 11.775 1.00 0.00 O ATOM 1368 CB VAL B 25 -1.990 -10.564 11.596 1.00 0.00 C ATOM 1369 CG1 VAL B 25 -1.733 -10.030 12.998 1.00 0.00 C ATOM 1370 CG2 VAL B 25 -3.046 -9.732 10.883 1.00 0.00 C ATOM 0 H VAL B 25 -1.759 -11.598 9.282 1.00 0.00 H new ATOM 0 HA VAL B 25 -0.257 -9.597 10.735 1.00 0.00 H new ATOM 0 HB VAL B 25 -2.363 -11.584 11.690 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -2.668 -10.015 13.559 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -1.015 -10.673 13.506 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -1.332 -9.018 12.934 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -3.960 -9.718 11.476 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -2.681 -8.713 10.755 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -3.254 -10.168 9.906 1.00 0.00 H new ATOM 1380 N LYS B 26 1.522 -11.046 11.664 1.00 0.00 N ATOM 1381 CA LYS B 26 2.568 -11.839 12.301 1.00 0.00 C ATOM 1382 C LYS B 26 3.446 -10.970 13.194 1.00 0.00 C ATOM 1383 O LYS B 26 3.610 -9.775 12.948 1.00 0.00 O ATOM 1384 CB LYS B 26 3.428 -12.530 11.241 1.00 0.00 C ATOM 1385 CG LYS B 26 4.153 -13.764 11.755 1.00 0.00 C ATOM 1386 CD LYS B 26 3.480 -15.043 11.286 1.00 0.00 C ATOM 1387 CE LYS B 26 4.458 -16.207 11.249 1.00 0.00 C ATOM 1388 NZ LYS B 26 5.157 -16.387 12.552 1.00 0.00 N ATOM 0 H LYS B 26 1.808 -10.102 11.403 1.00 0.00 H new ATOM 0 HA LYS B 26 2.087 -12.595 12.922 1.00 0.00 H new ATOM 0 HB2 LYS B 26 2.795 -12.815 10.401 1.00 0.00 H new ATOM 0 HB3 LYS B 26 4.162 -11.819 10.861 1.00 0.00 H new ATOM 0 HG2 LYS B 26 5.187 -13.749 11.411 1.00 0.00 H new ATOM 0 HG3 LYS B 26 4.179 -13.744 12.845 1.00 0.00 H new ATOM 0 HD2 LYS B 26 2.651 -15.284 11.951 1.00 0.00 H new ATOM 0 HD3 LYS B 26 3.057 -14.890 10.293 1.00 0.00 H new ATOM 0 HE2 LYS B 26 3.924 -17.122 10.994 1.00 0.00 H new ATOM 0 HE3 LYS B 26 5.194 -16.038 10.463 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 5.670 -17.292 12.549 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 5.831 -15.608 12.695 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 4.459 -16.387 13.323 1.00 0.00 H new ATOM 1402 N GLY B 27 4.011 -11.580 14.230 1.00 0.00 N ATOM 1403 CA GLY B 27 4.868 -10.849 15.143 1.00 0.00 C ATOM 1404 C GLY B 27 6.103 -10.296 14.461 1.00 0.00 C ATOM 1405 O GLY B 27 6.590 -10.868 13.486 1.00 0.00 O ATOM 0 H GLY B 27 3.890 -12.568 14.453 1.00 0.00 H new ATOM 0 HA2 GLY B 27 4.304 -10.029 15.588 1.00 0.00 H new ATOM 0 HA3 GLY B 27 5.170 -11.507 15.958 1.00 0.00 H new ATOM 1409 N ASN B 28 6.606 -9.176 14.973 1.00 0.00 N ATOM 1410 CA ASN B 28 7.791 -8.532 14.412 1.00 0.00 C ATOM 1411 C ASN B 28 7.471 -7.862 13.078 1.00 0.00 C ATOM 1412 O ASN B 28 7.357 -6.639 13.003 1.00 0.00 O ATOM 1413 CB ASN B 28 8.930 -9.543 14.237 1.00 0.00 C ATOM 1414 CG ASN B 28 9.169 -10.366 15.488 1.00 0.00 C ATOM 1415 OD1 ASN B 28 9.766 -9.890 16.454 1.00 0.00 O ATOM 1416 ND2 ASN B 28 8.703 -11.610 15.476 1.00 0.00 N ATOM 0 H ASN B 28 6.209 -8.693 15.779 1.00 0.00 H new ATOM 0 HA ASN B 28 8.114 -7.763 15.114 1.00 0.00 H new ATOM 0 HB2 ASN B 28 8.697 -10.209 13.406 1.00 0.00 H new ATOM 0 HB3 ASN B 28 9.845 -9.013 13.973 1.00 0.00 H new ATOM 0 HD21 ASN B 28 8.834 -12.212 16.289 1.00 0.00 H new ATOM 0 HD22 ASN B 28 8.214 -11.963 14.654 1.00 0.00 H new ATOM 1423 N GLN B 29 7.328 -8.664 12.026 1.00 0.00 N ATOM 1424 CA GLN B 29 7.024 -8.134 10.701 1.00 0.00 C ATOM 1425 C GLN B 29 5.718 -8.712 10.165 1.00 0.00 C ATOM 1426 O GLN B 29 5.517 -9.926 10.163 1.00 0.00 O ATOM 1427 CB GLN B 29 8.166 -8.441 9.731 1.00 0.00 C ATOM 1428 CG GLN B 29 9.255 -7.380 9.716 1.00 0.00 C ATOM 1429 CD GLN B 29 9.792 -7.074 11.101 1.00 0.00 C ATOM 1430 OE1 GLN B 29 10.113 -7.981 11.869 1.00 0.00 O ATOM 1431 NE2 GLN B 29 9.891 -5.791 11.427 1.00 0.00 N ATOM 0 H GLN B 29 7.417 -9.679 12.065 1.00 0.00 H new ATOM 0 HA GLN B 29 6.911 -7.054 10.790 1.00 0.00 H new ATOM 0 HB2 GLN B 29 8.609 -9.401 9.997 1.00 0.00 H new ATOM 0 HB3 GLN B 29 7.759 -8.546 8.725 1.00 0.00 H new ATOM 0 HG2 GLN B 29 10.074 -7.714 9.079 1.00 0.00 H new ATOM 0 HG3 GLN B 29 8.860 -6.466 9.274 1.00 0.00 H new ATOM 0 HE21 GLN B 29 9.613 -5.072 10.759 1.00 0.00 H new ATOM 0 HE22 GLN B 29 10.245 -5.524 12.346 1.00 0.00 H new ATOM 1440 N VAL B 30 4.829 -7.829 9.723 1.00 0.00 N ATOM 1441 CA VAL B 30 3.533 -8.239 9.195 1.00 0.00 C ATOM 1442 C VAL B 30 3.581 -8.407 7.681 1.00 0.00 C ATOM 1443 O VAL B 30 4.157 -7.580 6.974 1.00 0.00 O ATOM 1444 CB VAL B 30 2.433 -7.223 9.553 1.00 0.00 C ATOM 1445 CG1 VAL B 30 2.092 -7.305 11.032 1.00 0.00 C ATOM 1446 CG2 VAL B 30 2.863 -5.814 9.173 1.00 0.00 C ATOM 0 H VAL B 30 4.983 -6.821 9.720 1.00 0.00 H new ATOM 0 HA VAL B 30 3.295 -9.198 9.655 1.00 0.00 H new ATOM 0 HB VAL B 30 1.537 -7.469 8.984 1.00 0.00 H new ATOM 0 HG11 VAL B 30 1.313 -6.580 11.266 1.00 0.00 H new ATOM 0 HG12 VAL B 30 1.737 -8.308 11.268 1.00 0.00 H new ATOM 0 HG13 VAL B 30 2.981 -7.086 11.623 1.00 0.00 H new ATOM 0 HG21 VAL B 30 2.073 -5.110 9.434 1.00 0.00 H new ATOM 0 HG22 VAL B 30 3.774 -5.554 9.712 1.00 0.00 H new ATOM 0 HG23 VAL B 30 3.051 -5.768 8.100 1.00 0.00 H new ATOM 1456 N ARG B 31 2.963 -9.477 7.186 1.00 0.00 N ATOM 1457 CA ARG B 31 2.926 -9.745 5.763 1.00 0.00 C ATOM 1458 C ARG B 31 1.925 -8.824 5.078 1.00 0.00 C ATOM 1459 O ARG B 31 0.715 -9.014 5.190 1.00 0.00 O ATOM 1460 CB ARG B 31 2.562 -11.209 5.504 1.00 0.00 C ATOM 1461 CG ARG B 31 3.756 -12.077 5.140 1.00 0.00 C ATOM 1462 CD ARG B 31 4.128 -13.019 6.274 1.00 0.00 C ATOM 1463 NE ARG B 31 5.452 -13.605 6.086 1.00 0.00 N ATOM 1464 CZ ARG B 31 5.702 -14.624 5.266 1.00 0.00 C ATOM 1465 NH1 ARG B 31 4.721 -15.171 4.559 1.00 0.00 N ATOM 1466 NH2 ARG B 31 6.936 -15.096 5.152 1.00 0.00 N ATOM 0 H ARG B 31 2.481 -10.171 7.758 1.00 0.00 H new ATOM 0 HA ARG B 31 3.916 -9.555 5.349 1.00 0.00 H new ATOM 0 HB2 ARG B 31 2.083 -11.619 6.393 1.00 0.00 H new ATOM 0 HB3 ARG B 31 1.830 -11.256 4.698 1.00 0.00 H new ATOM 0 HG2 ARG B 31 3.527 -12.656 4.245 1.00 0.00 H new ATOM 0 HG3 ARG B 31 4.608 -11.442 4.899 1.00 0.00 H new ATOM 0 HD2 ARG B 31 4.102 -12.477 7.219 1.00 0.00 H new ATOM 0 HD3 ARG B 31 3.386 -13.814 6.343 1.00 0.00 H new ATOM 0 HE ARG B 31 6.231 -13.211 6.614 1.00 0.00 H new ATOM 0 HH11 ARG B 31 3.770 -14.811 4.642 1.00 0.00 H new ATOM 0 HH12 ARG B 31 4.918 -15.951 3.932 1.00 0.00 H new ATOM 0 HH21 ARG B 31 7.694 -14.679 5.692 1.00 0.00 H new ATOM 0 HH22 ARG B 31 7.127 -15.877 4.524 1.00 0.00 H new ATOM 1480 N ILE B 32 2.434 -7.816 4.381 1.00 0.00 N ATOM 1481 CA ILE B 32 1.577 -6.858 3.697 1.00 0.00 C ATOM 1482 C ILE B 32 1.220 -7.340 2.296 1.00 0.00 C ATOM 1483 O ILE B 32 2.094 -7.727 1.521 1.00 0.00 O ATOM 1484 CB ILE B 32 2.250 -5.475 3.603 1.00 0.00 C ATOM 1485 CG1 ILE B 32 2.935 -5.125 4.929 1.00 0.00 C ATOM 1486 CG2 ILE B 32 1.228 -4.412 3.228 1.00 0.00 C ATOM 1487 CD1 ILE B 32 1.965 -4.895 6.069 1.00 0.00 C ATOM 0 H ILE B 32 3.433 -7.641 4.275 1.00 0.00 H new ATOM 0 HA ILE B 32 0.664 -6.769 4.286 1.00 0.00 H new ATOM 0 HB ILE B 32 3.010 -5.509 2.822 1.00 0.00 H new ATOM 0 HG12 ILE B 32 3.617 -5.931 5.200 1.00 0.00 H new ATOM 0 HG13 ILE B 32 3.540 -4.229 4.791 1.00 0.00 H new ATOM 0 HG21 ILE B 32 1.719 -3.441 3.166 1.00 0.00 H new ATOM 0 HG22 ILE B 32 0.785 -4.657 2.263 1.00 0.00 H new ATOM 0 HG23 ILE B 32 0.446 -4.375 3.987 1.00 0.00 H new ATOM 0 HD11 ILE B 32 2.520 -4.652 6.975 1.00 0.00 H new ATOM 0 HD12 ILE B 32 1.299 -4.069 5.819 1.00 0.00 H new ATOM 0 HD13 ILE B 32 1.377 -5.798 6.235 1.00 0.00 H new ATOM 1499 N GLY B 33 -0.072 -7.309 1.977 1.00 0.00 N ATOM 1500 CA GLY B 33 -0.527 -7.742 0.669 1.00 0.00 C ATOM 1501 C GLY B 33 -0.874 -6.576 -0.229 1.00 0.00 C ATOM 1502 O GLY B 33 -1.879 -5.899 -0.015 1.00 0.00 O ATOM 0 H GLY B 33 -0.812 -6.991 2.603 1.00 0.00 H new ATOM 0 HA2 GLY B 33 0.250 -8.344 0.197 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -1.401 -8.383 0.784 1.00 0.00 H new ATOM 1506 N VAL B 34 -0.041 -6.332 -1.234 1.00 0.00 N ATOM 1507 CA VAL B 34 -0.274 -5.229 -2.156 1.00 0.00 C ATOM 1508 C VAL B 34 -0.738 -5.727 -3.520 1.00 0.00 C ATOM 1509 O VAL B 34 0.062 -6.211 -4.323 1.00 0.00 O ATOM 1510 CB VAL B 34 0.996 -4.378 -2.342 1.00 0.00 C ATOM 1511 CG1 VAL B 34 0.672 -3.085 -3.075 1.00 0.00 C ATOM 1512 CG2 VAL B 34 1.650 -4.089 -0.999 1.00 0.00 C ATOM 0 H VAL B 34 0.797 -6.880 -1.430 1.00 0.00 H new ATOM 0 HA VAL B 34 -1.059 -4.615 -1.714 1.00 0.00 H new ATOM 0 HB VAL B 34 1.703 -4.945 -2.948 1.00 0.00 H new ATOM 0 HG11 VAL B 34 1.582 -2.498 -3.197 1.00 0.00 H new ATOM 0 HG12 VAL B 34 0.256 -3.317 -4.055 1.00 0.00 H new ATOM 0 HG13 VAL B 34 -0.055 -2.512 -2.499 1.00 0.00 H new ATOM 0 HG21 VAL B 34 2.545 -3.487 -1.152 1.00 0.00 H new ATOM 0 HG22 VAL B 34 0.951 -3.545 -0.364 1.00 0.00 H new ATOM 0 HG23 VAL B 34 1.923 -5.028 -0.517 1.00 0.00 H new ATOM 1522 N ASN B 35 -2.035 -5.598 -3.775 1.00 0.00 N ATOM 1523 CA ASN B 35 -2.604 -6.026 -5.046 1.00 0.00 C ATOM 1524 C ASN B 35 -2.715 -4.845 -6.003 1.00 0.00 C ATOM 1525 O ASN B 35 -3.558 -3.966 -5.830 1.00 0.00 O ATOM 1526 CB ASN B 35 -3.977 -6.667 -4.834 1.00 0.00 C ATOM 1527 CG ASN B 35 -4.161 -7.926 -5.657 1.00 0.00 C ATOM 1528 OD1 ASN B 35 -3.575 -8.071 -6.731 1.00 0.00 O ATOM 1529 ND2 ASN B 35 -4.977 -8.847 -5.157 1.00 0.00 N ATOM 0 H ASN B 35 -2.710 -5.202 -3.121 1.00 0.00 H new ATOM 0 HA ASN B 35 -1.940 -6.770 -5.485 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -4.105 -6.905 -3.778 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -4.754 -5.949 -5.095 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -5.139 -9.716 -5.666 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -5.442 -8.686 -4.264 1.00 0.00 H new ATOM 1536 N ALA B 36 -1.847 -4.832 -7.004 1.00 0.00 N ATOM 1537 CA ALA B 36 -1.831 -3.756 -7.988 1.00 0.00 C ATOM 1538 C ALA B 36 -1.688 -4.292 -9.410 1.00 0.00 C ATOM 1539 O ALA B 36 -1.026 -5.304 -9.640 1.00 0.00 O ATOM 1540 CB ALA B 36 -0.708 -2.778 -7.679 1.00 0.00 C ATOM 0 H ALA B 36 -1.143 -5.554 -7.158 1.00 0.00 H new ATOM 0 HA ALA B 36 -2.787 -3.237 -7.926 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.707 -1.979 -8.421 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -0.859 -2.352 -6.687 1.00 0.00 H new ATOM 0 HB3 ALA B 36 0.248 -3.301 -7.707 1.00 0.00 H new ATOM 1546 N PRO B 37 -2.309 -3.609 -10.389 1.00 0.00 N ATOM 1547 CA PRO B 37 -2.251 -4.005 -11.796 1.00 0.00 C ATOM 1548 C PRO B 37 -0.958 -3.556 -12.465 1.00 0.00 C ATOM 1549 O PRO B 37 -0.316 -2.606 -12.019 1.00 0.00 O ATOM 1550 CB PRO B 37 -3.446 -3.275 -12.402 1.00 0.00 C ATOM 1551 CG PRO B 37 -3.559 -2.028 -11.597 1.00 0.00 C ATOM 1552 CD PRO B 37 -3.118 -2.386 -10.200 1.00 0.00 C ATOM 0 HA PRO B 37 -2.278 -5.087 -11.926 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -3.285 -3.055 -13.457 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -4.354 -3.875 -12.337 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -2.933 -1.239 -12.012 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -4.583 -1.656 -11.598 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -2.533 -1.585 -9.747 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -3.970 -2.567 -9.545 1.00 0.00 H new ATOM 1560 N LYS B 38 -0.579 -4.243 -13.537 1.00 0.00 N ATOM 1561 CA LYS B 38 0.639 -3.908 -14.264 1.00 0.00 C ATOM 1562 C LYS B 38 0.351 -2.940 -15.408 1.00 0.00 C ATOM 1563 O LYS B 38 1.005 -2.987 -16.450 1.00 0.00 O ATOM 1564 CB LYS B 38 1.296 -5.178 -14.810 1.00 0.00 C ATOM 1565 CG LYS B 38 2.159 -5.904 -13.790 1.00 0.00 C ATOM 1566 CD LYS B 38 1.469 -7.151 -13.261 1.00 0.00 C ATOM 1567 CE LYS B 38 2.465 -8.120 -12.644 1.00 0.00 C ATOM 1568 NZ LYS B 38 1.831 -8.992 -11.618 1.00 0.00 N ATOM 0 H LYS B 38 -1.097 -5.034 -13.921 1.00 0.00 H new ATOM 0 HA LYS B 38 1.321 -3.421 -13.568 1.00 0.00 H new ATOM 0 HB2 LYS B 38 0.519 -5.856 -15.164 1.00 0.00 H new ATOM 0 HB3 LYS B 38 1.909 -4.918 -15.673 1.00 0.00 H new ATOM 0 HG2 LYS B 38 3.110 -6.179 -14.247 1.00 0.00 H new ATOM 0 HG3 LYS B 38 2.386 -5.233 -12.961 1.00 0.00 H new ATOM 0 HD2 LYS B 38 0.726 -6.868 -12.516 1.00 0.00 H new ATOM 0 HD3 LYS B 38 0.935 -7.645 -14.073 1.00 0.00 H new ATOM 0 HE2 LYS B 38 2.901 -8.740 -13.427 1.00 0.00 H new ATOM 0 HE3 LYS B 38 3.282 -7.560 -12.189 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 2.488 -9.755 -11.357 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 1.604 -8.427 -10.775 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 0.957 -9.404 -12.004 1.00 0.00 H new ATOM 1582 N GLU B 39 -0.631 -2.062 -15.212 1.00 0.00 N ATOM 1583 CA GLU B 39 -0.998 -1.087 -16.233 1.00 0.00 C ATOM 1584 C GLU B 39 -0.723 0.335 -15.754 1.00 0.00 C ATOM 1585 O GLU B 39 -0.234 1.172 -16.513 1.00 0.00 O ATOM 1586 CB GLU B 39 -2.475 -1.236 -16.601 1.00 0.00 C ATOM 1587 CG GLU B 39 -2.899 -2.675 -16.849 1.00 0.00 C ATOM 1588 CD GLU B 39 -3.332 -2.919 -18.282 1.00 0.00 C ATOM 1589 OE1 GLU B 39 -2.579 -2.536 -19.202 1.00 0.00 O ATOM 1590 OE2 GLU B 39 -4.424 -3.491 -18.483 1.00 0.00 O ATOM 0 H GLU B 39 -1.185 -2.007 -14.357 1.00 0.00 H new ATOM 0 HA GLU B 39 -0.388 -1.277 -17.116 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -3.084 -0.820 -15.799 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -2.679 -0.647 -17.495 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -2.071 -3.341 -16.606 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -3.719 -2.929 -16.178 1.00 0.00 H new ATOM 1597 N VAL B 40 -1.038 0.605 -14.489 1.00 0.00 N ATOM 1598 CA VAL B 40 -0.820 1.928 -13.914 1.00 0.00 C ATOM 1599 C VAL B 40 0.650 2.129 -13.560 1.00 0.00 C ATOM 1600 O VAL B 40 1.402 1.163 -13.431 1.00 0.00 O ATOM 1601 CB VAL B 40 -1.683 2.149 -12.655 1.00 0.00 C ATOM 1602 CG1 VAL B 40 -1.712 3.622 -12.280 1.00 0.00 C ATOM 1603 CG2 VAL B 40 -3.094 1.622 -12.872 1.00 0.00 C ATOM 0 H VAL B 40 -1.444 -0.074 -13.845 1.00 0.00 H new ATOM 0 HA VAL B 40 -1.114 2.657 -14.669 1.00 0.00 H new ATOM 0 HB VAL B 40 -1.235 1.594 -11.830 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -2.326 3.759 -11.390 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -0.698 3.966 -12.078 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -2.134 4.199 -13.103 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -3.687 1.787 -11.972 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -3.553 2.146 -13.710 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -3.054 0.555 -13.089 1.00 0.00 H new ATOM 1613 N SER B 41 1.057 3.385 -13.406 1.00 0.00 N ATOM 1614 CA SER B 41 2.441 3.700 -13.071 1.00 0.00 C ATOM 1615 C SER B 41 2.785 3.209 -11.669 1.00 0.00 C ATOM 1616 O SER B 41 2.348 3.786 -10.674 1.00 0.00 O ATOM 1617 CB SER B 41 2.687 5.208 -13.178 1.00 0.00 C ATOM 1618 OG SER B 41 3.823 5.597 -12.426 1.00 0.00 O ATOM 0 H SER B 41 0.450 4.199 -13.507 1.00 0.00 H new ATOM 0 HA SER B 41 3.087 3.187 -13.783 1.00 0.00 H new ATOM 0 HB2 SER B 41 2.828 5.483 -14.223 1.00 0.00 H new ATOM 0 HB3 SER B 41 1.810 5.748 -12.822 1.00 0.00 H new ATOM 0 HG SER B 41 3.958 6.564 -12.513 1.00 0.00 H new ATOM 1624 N VAL B 42 3.569 2.138 -11.600 1.00 0.00 N ATOM 1625 CA VAL B 42 3.971 1.566 -10.321 1.00 0.00 C ATOM 1626 C VAL B 42 5.492 1.533 -10.186 1.00 0.00 C ATOM 1627 O VAL B 42 6.187 0.984 -11.042 1.00 0.00 O ATOM 1628 CB VAL B 42 3.418 0.137 -10.150 1.00 0.00 C ATOM 1629 CG1 VAL B 42 3.981 -0.790 -11.217 1.00 0.00 C ATOM 1630 CG2 VAL B 42 3.724 -0.394 -8.757 1.00 0.00 C ATOM 0 H VAL B 42 3.938 1.649 -12.415 1.00 0.00 H new ATOM 0 HA VAL B 42 3.556 2.205 -9.542 1.00 0.00 H new ATOM 0 HB VAL B 42 2.335 0.174 -10.270 1.00 0.00 H new ATOM 0 HG11 VAL B 42 3.578 -1.793 -11.077 1.00 0.00 H new ATOM 0 HG12 VAL B 42 3.702 -0.421 -12.204 1.00 0.00 H new ATOM 0 HG13 VAL B 42 5.067 -0.821 -11.135 1.00 0.00 H new ATOM 0 HG21 VAL B 42 3.325 -1.404 -8.657 1.00 0.00 H new ATOM 0 HG22 VAL B 42 4.803 -0.413 -8.604 1.00 0.00 H new ATOM 0 HG23 VAL B 42 3.263 0.254 -8.011 1.00 0.00 H new ATOM 1640 N HIS B 43 6.004 2.107 -9.101 1.00 0.00 N ATOM 1641 CA HIS B 43 7.440 2.127 -8.848 1.00 0.00 C ATOM 1642 C HIS B 43 7.733 1.618 -7.441 1.00 0.00 C ATOM 1643 O HIS B 43 7.203 2.146 -6.463 1.00 0.00 O ATOM 1644 CB HIS B 43 7.992 3.544 -9.019 1.00 0.00 C ATOM 1645 CG HIS B 43 9.435 3.579 -9.419 1.00 0.00 C ATOM 1646 ND1 HIS B 43 9.862 3.979 -10.667 1.00 0.00 N ATOM 1647 CD2 HIS B 43 10.555 3.260 -8.727 1.00 0.00 C ATOM 1648 CE1 HIS B 43 11.179 3.905 -10.728 1.00 0.00 C ATOM 1649 NE2 HIS B 43 11.625 3.472 -9.563 1.00 0.00 N ATOM 0 H HIS B 43 5.444 2.565 -8.382 1.00 0.00 H new ATOM 0 HA HIS B 43 7.929 1.472 -9.570 1.00 0.00 H new ATOM 0 HB2 HIS B 43 7.402 4.067 -9.772 1.00 0.00 H new ATOM 0 HB3 HIS B 43 7.869 4.089 -8.083 1.00 0.00 H new ATOM 0 HD2 HIS B 43 10.599 2.905 -7.708 1.00 0.00 H new ATOM 0 HE1 HIS B 43 11.787 4.156 -11.584 1.00 0.00 H new ATOM 0 HE2 HIS B 43 12.604 3.320 -9.323 1.00 0.00 H new ATOM 1657 N ARG B 44 8.574 0.593 -7.334 1.00 0.00 N ATOM 1658 CA ARG B 44 8.923 0.027 -6.036 1.00 0.00 C ATOM 1659 C ARG B 44 10.264 -0.695 -6.113 1.00 0.00 C ATOM 1660 O ARG B 44 11.244 -0.280 -5.495 1.00 0.00 O ATOM 1661 CB ARG B 44 7.839 -0.947 -5.565 1.00 0.00 C ATOM 1662 CG ARG B 44 6.430 -0.378 -5.632 1.00 0.00 C ATOM 1663 CD ARG B 44 5.398 -1.383 -5.142 1.00 0.00 C ATOM 1664 NE ARG B 44 5.818 -2.046 -3.909 1.00 0.00 N ATOM 1665 CZ ARG B 44 5.323 -3.207 -3.486 1.00 0.00 C ATOM 1666 NH1 ARG B 44 4.384 -3.832 -4.186 1.00 0.00 N ATOM 1667 NH2 ARG B 44 5.766 -3.745 -2.358 1.00 0.00 N ATOM 0 H ARG B 44 9.025 0.139 -8.128 1.00 0.00 H new ATOM 0 HA ARG B 44 9.000 0.844 -5.319 1.00 0.00 H new ATOM 0 HB2 ARG B 44 7.885 -1.850 -6.174 1.00 0.00 H new ATOM 0 HB3 ARG B 44 8.052 -1.244 -4.538 1.00 0.00 H new ATOM 0 HG2 ARG B 44 6.373 0.527 -5.028 1.00 0.00 H new ATOM 0 HG3 ARG B 44 6.201 -0.091 -6.658 1.00 0.00 H new ATOM 0 HD2 ARG B 44 4.449 -0.874 -4.974 1.00 0.00 H new ATOM 0 HD3 ARG B 44 5.226 -2.132 -5.915 1.00 0.00 H new ATOM 0 HE ARG B 44 6.532 -1.592 -3.339 1.00 0.00 H new ATOM 0 HH11 ARG B 44 4.038 -3.423 -5.054 1.00 0.00 H new ATOM 0 HH12 ARG B 44 4.009 -4.721 -3.856 1.00 0.00 H new ATOM 0 HH21 ARG B 44 6.486 -3.269 -1.814 1.00 0.00 H new ATOM 0 HH22 ARG B 44 5.387 -4.635 -2.034 1.00 0.00 H new ATOM 1681 N GLU B 45 10.296 -1.779 -6.882 1.00 0.00 N ATOM 1682 CA GLU B 45 11.511 -2.566 -7.053 1.00 0.00 C ATOM 1683 C GLU B 45 11.318 -3.622 -8.137 1.00 0.00 C ATOM 1684 O GLU B 45 10.334 -4.363 -8.129 1.00 0.00 O ATOM 1685 CB GLU B 45 11.907 -3.233 -5.734 1.00 0.00 C ATOM 1686 CG GLU B 45 13.410 -3.312 -5.518 1.00 0.00 C ATOM 1687 CD GLU B 45 14.087 -1.960 -5.629 1.00 0.00 C ATOM 1688 OE1 GLU B 45 13.583 -0.992 -5.022 1.00 0.00 O ATOM 1689 OE2 GLU B 45 15.121 -1.869 -6.323 1.00 0.00 O ATOM 0 H GLU B 45 9.491 -2.133 -7.398 1.00 0.00 H new ATOM 0 HA GLU B 45 12.312 -1.894 -7.360 1.00 0.00 H new ATOM 0 HB2 GLU B 45 11.458 -2.681 -4.908 1.00 0.00 H new ATOM 0 HB3 GLU B 45 11.491 -4.240 -5.707 1.00 0.00 H new ATOM 0 HG2 GLU B 45 13.610 -3.735 -4.533 1.00 0.00 H new ATOM 0 HG3 GLU B 45 13.843 -3.992 -6.251 1.00 0.00 H new ATOM 1696 N GLU B 46 12.263 -3.685 -9.069 1.00 0.00 N ATOM 1697 CA GLU B 46 12.196 -4.648 -10.162 1.00 0.00 C ATOM 1698 C GLU B 46 12.146 -6.076 -9.631 1.00 0.00 C ATOM 1699 O GLU B 46 11.437 -6.924 -10.170 1.00 0.00 O ATOM 1700 CB GLU B 46 13.400 -4.479 -11.092 1.00 0.00 C ATOM 1701 CG GLU B 46 14.721 -4.321 -10.355 1.00 0.00 C ATOM 1702 CD GLU B 46 15.420 -3.015 -10.680 1.00 0.00 C ATOM 1703 OE1 GLU B 46 14.717 -2.015 -10.940 1.00 0.00 O ATOM 1704 OE2 GLU B 46 16.668 -2.992 -10.675 1.00 0.00 O ATOM 0 H GLU B 46 13.084 -3.081 -9.089 1.00 0.00 H new ATOM 0 HA GLU B 46 11.281 -4.458 -10.723 1.00 0.00 H new ATOM 0 HB2 GLU B 46 13.463 -5.344 -11.752 1.00 0.00 H new ATOM 0 HB3 GLU B 46 13.240 -3.606 -11.725 1.00 0.00 H new ATOM 0 HG2 GLU B 46 14.542 -4.375 -9.281 1.00 0.00 H new ATOM 0 HG3 GLU B 46 15.377 -5.153 -10.611 1.00 0.00 H new ATOM 1711 N ILE B 47 12.906 -6.335 -8.572 1.00 0.00 N ATOM 1712 CA ILE B 47 12.952 -7.661 -7.968 1.00 0.00 C ATOM 1713 C ILE B 47 11.669 -7.965 -7.199 1.00 0.00 C ATOM 1714 O ILE B 47 11.127 -9.066 -7.286 1.00 0.00 O ATOM 1715 CB ILE B 47 14.153 -7.797 -7.012 1.00 0.00 C ATOM 1716 CG1 ILE B 47 15.442 -7.354 -7.707 1.00 0.00 C ATOM 1717 CG2 ILE B 47 14.280 -9.229 -6.515 1.00 0.00 C ATOM 1718 CD1 ILE B 47 16.520 -6.898 -6.748 1.00 0.00 C ATOM 0 H ILE B 47 13.499 -5.643 -8.114 1.00 0.00 H new ATOM 0 HA ILE B 47 13.059 -8.376 -8.784 1.00 0.00 H new ATOM 0 HB ILE B 47 13.984 -7.149 -6.152 1.00 0.00 H new ATOM 0 HG12 ILE B 47 15.825 -8.181 -8.305 1.00 0.00 H new ATOM 0 HG13 ILE B 47 15.213 -6.541 -8.396 1.00 0.00 H new ATOM 0 HG21 ILE B 47 15.133 -9.306 -5.841 1.00 0.00 H new ATOM 0 HG22 ILE B 47 13.371 -9.512 -5.983 1.00 0.00 H new ATOM 0 HG23 ILE B 47 14.426 -9.897 -7.364 1.00 0.00 H new ATOM 0 HD11 ILE B 47 17.404 -6.599 -7.310 1.00 0.00 H new ATOM 0 HD12 ILE B 47 16.156 -6.051 -6.167 1.00 0.00 H new ATOM 0 HD13 ILE B 47 16.778 -7.716 -6.075 1.00 0.00 H new ATOM 1730 N TYR B 48 11.194 -6.983 -6.439 1.00 0.00 N ATOM 1731 CA TYR B 48 9.981 -7.145 -5.642 1.00 0.00 C ATOM 1732 C TYR B 48 8.826 -7.691 -6.479 1.00 0.00 C ATOM 1733 O TYR B 48 8.123 -8.606 -6.056 1.00 0.00 O ATOM 1734 CB TYR B 48 9.575 -5.809 -5.015 1.00 0.00 C ATOM 1735 CG TYR B 48 10.347 -5.465 -3.760 1.00 0.00 C ATOM 1736 CD1 TYR B 48 11.711 -5.715 -3.666 1.00 0.00 C ATOM 1737 CD2 TYR B 48 9.710 -4.888 -2.668 1.00 0.00 C ATOM 1738 CE1 TYR B 48 12.417 -5.401 -2.520 1.00 0.00 C ATOM 1739 CE2 TYR B 48 10.410 -4.571 -1.519 1.00 0.00 C ATOM 1740 CZ TYR B 48 11.762 -4.829 -1.451 1.00 0.00 C ATOM 1741 OH TYR B 48 12.462 -4.515 -0.308 1.00 0.00 O ATOM 0 H TYR B 48 11.631 -6.065 -6.358 1.00 0.00 H new ATOM 0 HA TYR B 48 10.201 -7.866 -4.855 1.00 0.00 H new ATOM 0 HB2 TYR B 48 9.719 -5.015 -5.748 1.00 0.00 H new ATOM 0 HB3 TYR B 48 8.511 -5.837 -4.780 1.00 0.00 H new ATOM 0 HD1 TYR B 48 12.228 -6.162 -4.502 1.00 0.00 H new ATOM 0 HD2 TYR B 48 8.651 -4.684 -2.718 1.00 0.00 H new ATOM 0 HE1 TYR B 48 13.476 -5.603 -2.463 1.00 0.00 H new ATOM 0 HE2 TYR B 48 9.900 -4.123 -0.679 1.00 0.00 H new ATOM 0 HH TYR B 48 11.853 -4.118 0.350 1.00 0.00 H new ATOM 1751 N GLN B 49 8.626 -7.117 -7.660 1.00 0.00 N ATOM 1752 CA GLN B 49 7.541 -7.543 -8.540 1.00 0.00 C ATOM 1753 C GLN B 49 7.930 -8.764 -9.372 1.00 0.00 C ATOM 1754 O GLN B 49 7.262 -9.795 -9.321 1.00 0.00 O ATOM 1755 CB GLN B 49 7.132 -6.396 -9.465 1.00 0.00 C ATOM 1756 CG GLN B 49 5.648 -6.378 -9.792 1.00 0.00 C ATOM 1757 CD GLN B 49 5.375 -6.040 -11.244 1.00 0.00 C ATOM 1758 OE1 GLN B 49 5.009 -4.912 -11.573 1.00 0.00 O ATOM 1759 NE2 GLN B 49 5.551 -7.020 -12.123 1.00 0.00 N ATOM 0 H GLN B 49 9.198 -6.358 -8.030 1.00 0.00 H new ATOM 0 HA GLN B 49 6.698 -7.823 -7.908 1.00 0.00 H new ATOM 0 HB2 GLN B 49 7.404 -5.449 -8.998 1.00 0.00 H new ATOM 0 HB3 GLN B 49 7.699 -6.469 -10.393 1.00 0.00 H new ATOM 0 HG2 GLN B 49 5.217 -7.353 -9.563 1.00 0.00 H new ATOM 0 HG3 GLN B 49 5.148 -5.650 -9.153 1.00 0.00 H new ATOM 0 HE21 GLN B 49 5.856 -7.941 -11.806 1.00 0.00 H new ATOM 0 HE22 GLN B 49 5.382 -6.852 -13.115 1.00 0.00 H new ATOM 1768 N ARG B 50 9.000 -8.633 -10.151 1.00 0.00 N ATOM 1769 CA ARG B 50 9.469 -9.715 -11.019 1.00 0.00 C ATOM 1770 C ARG B 50 9.729 -11.023 -10.262 1.00 0.00 C ATOM 1771 O ARG B 50 9.962 -12.060 -10.883 1.00 0.00 O ATOM 1772 CB ARG B 50 10.745 -9.286 -11.746 1.00 0.00 C ATOM 1773 CG ARG B 50 10.531 -8.147 -12.731 1.00 0.00 C ATOM 1774 CD ARG B 50 11.734 -7.965 -13.644 1.00 0.00 C ATOM 1775 NE ARG B 50 11.423 -8.298 -15.033 1.00 0.00 N ATOM 1776 CZ ARG B 50 10.799 -7.473 -15.872 1.00 0.00 C ATOM 1777 NH1 ARG B 50 10.414 -6.269 -15.467 1.00 0.00 N ATOM 1778 NH2 ARG B 50 10.558 -7.855 -17.119 1.00 0.00 N ATOM 0 H ARG B 50 9.563 -7.784 -10.201 1.00 0.00 H new ATOM 0 HA ARG B 50 8.670 -9.910 -11.734 1.00 0.00 H new ATOM 0 HB2 ARG B 50 11.489 -8.983 -11.009 1.00 0.00 H new ATOM 0 HB3 ARG B 50 11.155 -10.144 -12.279 1.00 0.00 H new ATOM 0 HG2 ARG B 50 9.644 -8.346 -13.332 1.00 0.00 H new ATOM 0 HG3 ARG B 50 10.345 -7.222 -12.185 1.00 0.00 H new ATOM 0 HD2 ARG B 50 12.079 -6.933 -13.587 1.00 0.00 H new ATOM 0 HD3 ARG B 50 12.553 -8.594 -13.295 1.00 0.00 H new ATOM 0 HE ARG B 50 11.700 -9.216 -15.380 1.00 0.00 H new ATOM 0 HH11 ARG B 50 10.596 -5.971 -14.509 1.00 0.00 H new ATOM 0 HH12 ARG B 50 9.937 -5.642 -16.114 1.00 0.00 H new ATOM 0 HH21 ARG B 50 10.850 -8.780 -17.435 1.00 0.00 H new ATOM 0 HH22 ARG B 50 10.080 -7.224 -17.762 1.00 0.00 H new ATOM 1792 N ILE B 51 9.701 -10.982 -8.933 1.00 0.00 N ATOM 1793 CA ILE B 51 9.947 -12.179 -8.134 1.00 0.00 C ATOM 1794 C ILE B 51 8.695 -12.624 -7.382 1.00 0.00 C ATOM 1795 O ILE B 51 8.259 -13.767 -7.514 1.00 0.00 O ATOM 1796 CB ILE B 51 11.094 -11.954 -7.126 1.00 0.00 C ATOM 1797 CG1 ILE B 51 12.369 -11.538 -7.861 1.00 0.00 C ATOM 1798 CG2 ILE B 51 11.341 -13.212 -6.299 1.00 0.00 C ATOM 1799 CD1 ILE B 51 12.891 -12.594 -8.811 1.00 0.00 C ATOM 0 H ILE B 51 9.512 -10.140 -8.390 1.00 0.00 H new ATOM 0 HA ILE B 51 10.233 -12.966 -8.832 1.00 0.00 H new ATOM 0 HB ILE B 51 10.804 -11.152 -6.447 1.00 0.00 H new ATOM 0 HG12 ILE B 51 12.174 -10.623 -8.420 1.00 0.00 H new ATOM 0 HG13 ILE B 51 13.142 -11.306 -7.128 1.00 0.00 H new ATOM 0 HG21 ILE B 51 12.153 -13.031 -5.595 1.00 0.00 H new ATOM 0 HG22 ILE B 51 10.436 -13.470 -5.750 1.00 0.00 H new ATOM 0 HG23 ILE B 51 11.611 -14.035 -6.961 1.00 0.00 H new ATOM 0 HD11 ILE B 51 13.796 -12.231 -9.297 1.00 0.00 H new ATOM 0 HD12 ILE B 51 13.118 -13.504 -8.255 1.00 0.00 H new ATOM 0 HD13 ILE B 51 12.135 -12.809 -9.566 1.00 0.00 H new ATOM 1811 N GLN B 52 8.122 -11.722 -6.592 1.00 0.00 N ATOM 1812 CA GLN B 52 6.924 -12.042 -5.823 1.00 0.00 C ATOM 1813 C GLN B 52 5.691 -12.062 -6.719 1.00 0.00 C ATOM 1814 O GLN B 52 4.956 -13.050 -6.755 1.00 0.00 O ATOM 1815 CB GLN B 52 6.729 -11.039 -4.685 1.00 0.00 C ATOM 1816 CG GLN B 52 7.707 -11.227 -3.537 1.00 0.00 C ATOM 1817 CD GLN B 52 8.881 -10.270 -3.608 1.00 0.00 C ATOM 1818 OE1 GLN B 52 8.703 -9.054 -3.676 1.00 0.00 O ATOM 1819 NE2 GLN B 52 10.092 -10.816 -3.591 1.00 0.00 N ATOM 0 H GLN B 52 8.465 -10.769 -6.467 1.00 0.00 H new ATOM 0 HA GLN B 52 7.057 -13.036 -5.396 1.00 0.00 H new ATOM 0 HB2 GLN B 52 6.834 -10.029 -5.080 1.00 0.00 H new ATOM 0 HB3 GLN B 52 5.712 -11.128 -4.303 1.00 0.00 H new ATOM 0 HG2 GLN B 52 7.183 -11.084 -2.592 1.00 0.00 H new ATOM 0 HG3 GLN B 52 8.078 -12.252 -3.545 1.00 0.00 H new ATOM 0 HE21 GLN B 52 10.194 -11.829 -3.534 1.00 0.00 H new ATOM 0 HE22 GLN B 52 10.920 -10.222 -3.635 1.00 0.00 H new ATOM 1828 N ALA B 53 5.467 -10.970 -7.442 1.00 0.00 N ATOM 1829 CA ALA B 53 4.323 -10.872 -8.334 1.00 0.00 C ATOM 1830 C ALA B 53 4.544 -11.697 -9.596 1.00 0.00 C ATOM 1831 O ALA B 53 3.612 -12.302 -10.126 1.00 0.00 O ATOM 1832 CB ALA B 53 4.056 -9.417 -8.690 1.00 0.00 C ATOM 0 H ALA B 53 6.063 -10.142 -7.426 1.00 0.00 H new ATOM 0 HA ALA B 53 3.451 -11.273 -7.817 1.00 0.00 H new ATOM 0 HB1 ALA B 53 3.197 -9.358 -9.358 1.00 0.00 H new ATOM 0 HB2 ALA B 53 3.848 -8.852 -7.781 1.00 0.00 H new ATOM 0 HB3 ALA B 53 4.931 -8.997 -9.186 1.00 0.00 H new ATOM 1838 N GLU B 54 5.784 -11.715 -10.073 1.00 0.00 N ATOM 1839 CA GLU B 54 6.132 -12.464 -11.273 1.00 0.00 C ATOM 1840 C GLU B 54 6.866 -13.752 -10.922 1.00 0.00 C ATOM 1841 O GLU B 54 7.893 -13.732 -10.243 1.00 0.00 O ATOM 1842 CB GLU B 54 6.995 -11.610 -12.203 1.00 0.00 C ATOM 1843 CG GLU B 54 6.744 -11.875 -13.679 1.00 0.00 C ATOM 1844 CD GLU B 54 5.362 -11.439 -14.123 1.00 0.00 C ATOM 1845 OE1 GLU B 54 5.136 -10.217 -14.248 1.00 0.00 O ATOM 1846 OE2 GLU B 54 4.504 -12.320 -14.344 1.00 0.00 O ATOM 0 H GLU B 54 6.565 -11.218 -9.645 1.00 0.00 H new ATOM 0 HA GLU B 54 5.206 -12.725 -11.785 1.00 0.00 H new ATOM 0 HB2 GLU B 54 6.807 -10.557 -11.994 1.00 0.00 H new ATOM 0 HB3 GLU B 54 8.046 -11.796 -11.982 1.00 0.00 H new ATOM 0 HG2 GLU B 54 7.494 -11.351 -14.271 1.00 0.00 H new ATOM 0 HG3 GLU B 54 6.867 -12.939 -13.879 1.00 0.00 H new ATOM 1853 N LYS B 55 6.324 -14.869 -11.391 1.00 0.00 N ATOM 1854 CA LYS B 55 6.906 -16.184 -11.142 1.00 0.00 C ATOM 1855 C LYS B 55 6.793 -16.564 -9.666 1.00 0.00 C ATOM 1856 O LYS B 55 5.824 -17.206 -9.259 1.00 0.00 O ATOM 1857 CB LYS B 55 8.369 -16.222 -11.597 1.00 0.00 C ATOM 1858 CG LYS B 55 8.556 -16.809 -12.988 1.00 0.00 C ATOM 1859 CD LYS B 55 9.707 -17.803 -13.030 1.00 0.00 C ATOM 1860 CE LYS B 55 10.921 -17.222 -13.737 1.00 0.00 C ATOM 1861 NZ LYS B 55 11.655 -16.254 -12.876 1.00 0.00 N ATOM 0 H LYS B 55 5.473 -14.890 -11.952 1.00 0.00 H new ATOM 0 HA LYS B 55 6.344 -16.916 -11.723 1.00 0.00 H new ATOM 0 HB2 LYS B 55 8.773 -15.210 -11.581 1.00 0.00 H new ATOM 0 HB3 LYS B 55 8.948 -16.808 -10.883 1.00 0.00 H new ATOM 0 HG2 LYS B 55 7.636 -17.304 -13.301 1.00 0.00 H new ATOM 0 HG3 LYS B 55 8.743 -16.005 -13.700 1.00 0.00 H new ATOM 0 HD2 LYS B 55 9.979 -18.089 -12.014 1.00 0.00 H new ATOM 0 HD3 LYS B 55 9.387 -18.711 -13.542 1.00 0.00 H new ATOM 0 HE2 LYS B 55 11.592 -18.030 -14.029 1.00 0.00 H new ATOM 0 HE3 LYS B 55 10.604 -16.725 -14.653 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 12.476 -15.881 -13.395 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 11.023 -15.470 -12.618 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 11.980 -16.734 -12.013 1.00 0.00 H new