USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 77 ASN : amide:sc= -8.06! K(o=-19!,f=-4) USER MOD Set 1.2: C 80 ASN : amide:sc= -11.2! C(o=-19!,f=-4.5!) USER MOD Set 2.1: C 71 THR OG1 : rot -130:sc= 0.947 USER MOD Set 2.2: C 74 ASN : amide:sc= 1.1 X(o=2.1,f=2) USER MOD Set 3.1: C 19 LYS NZ :NH3+ -164:sc= 2.08 (180deg=1.06) USER MOD Set 3.2: C 93 GLN : amide:sc= -0.19 K(o=1.9,f=-2.1) USER MOD Set 4.1: C 1 ASP N :NH3+ -130:sc= 0.307 (180deg=-0.227) USER MOD Set 4.2: C 3 GLN : amide:sc= -1.35! C(o=-1!,f=-8.1!) USER MOD Single : C 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 4 LYS NZ :NH3+ 172:sc=-0.00453 (180deg=-0.0863) USER MOD Single : C 9 GLN : amide:sc= -3.55! K(o=-3.6!,f=-1.3) USER MOD Single : C 10 MET CE :methyl 166:sc= -0.0471 (180deg=-0.33) USER MOD Single : C 11 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : C 12 SER OG : rot 180:sc= 0 USER MOD Single : C 14 ASN : amide:sc= -0.137 K(o=-0.14,f=-3!) USER MOD Single : C 15 SER OG : rot 74:sc= 1.24 USER MOD Single : C 17 ASN : amide:sc= -2.28 K(o=-2.3,f=-13!) USER MOD Single : C 21 ASN : amide:sc= -0.903 K(o=-0.9,f=-2.7!) USER MOD Single : C 22 LYS NZ :NH3+ 132:sc= 0.287 (180deg=-0.436) USER MOD Single : C 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 LYS NZ :NH3+ 138:sc= 1.18 (180deg=0.921) USER MOD Single : C 28 SER OG : rot 180:sc= 0 USER MOD Single : C 30 SER OG : rot 180:sc= 0 USER MOD Single : C 31 MET CE :methyl -147:sc=-0.00415 (180deg=-0.956) USER MOD Single : C 32 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : C 34 ASN : amide:sc= -0.966! K(o=-0.97!,f=-0.45) USER MOD Single : C 35 GLN : amide:sc= -0.192 X(o=-0.19,f=0) USER MOD Single : C 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 39 THR OG1 : rot 180:sc= -0.274 USER MOD Single : C 40 SER OG : rot 31:sc= -1.18 USER MOD Single : C 41 SER OG : rot 180:sc= 0 USER MOD Single : C 42 ASN : amide:sc= -1.46 K(o=-1.5,f=-2.5!) USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 SER OG : rot -94:sc= 0.0437 USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 52 LYS NZ :NH3+ 153:sc= -0.127 (180deg=-0.724) USER MOD Single : C 53 ASN : amide:sc= -2.92! K(o=-2.9!,f=-0.45) USER MOD Single : C 59 ASN : amide:sc= -1.7! C(o=-1.7!,f=-7.6!) USER MOD Single : C 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 64 TYR OH : rot 180:sc= 0 USER MOD Single : C 65 THR OG1 : rot 116:sc= -1.87! USER MOD Single : C 67 ASN : amide:sc= -2.62! C(o=-2.6!,f=-17!) USER MOD Single : C 69 LYS NZ :NH3+ 173:sc= 0.623 (180deg=0.489) USER MOD Single : C 70 SER OG : rot 180:sc= 0 USER MOD Single : C 76 SER OG : rot -72:sc= 1.03 USER MOD Single : C 81 LYS NZ :NH3+ 143:sc= -0.0626 (180deg=-0.364) USER MOD Single : C 83 ASN : amide:sc= -4.58! C(o=-4.6!,f=-1.5!) USER MOD Single : C 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 88 TYR OH : rot 180:sc= 0 USER MOD Single : C 92 LYS NZ :NH3+ -174:sc= 1.01 (180deg=0.975) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP C 1 -17.018 -9.323 -8.562 1.00 0.00 N ATOM 2 CA ASP C 1 -18.461 -9.622 -8.390 1.00 0.00 C ATOM 3 C ASP C 1 -18.911 -9.335 -6.960 1.00 0.00 C ATOM 4 O ASP C 1 -20.042 -8.916 -6.727 1.00 0.00 O ATOM 5 CB ASP C 1 -18.739 -11.087 -8.727 1.00 0.00 C ATOM 6 CG ASP C 1 -20.216 -11.413 -8.699 1.00 0.00 C ATOM 7 OD1 ASP C 1 -20.727 -11.806 -7.630 1.00 0.00 O ATOM 8 OD2 ASP C 1 -20.877 -11.276 -9.749 1.00 0.00 O1- ATOM 0 H1 ASP C 1 -16.885 -8.723 -9.401 1.00 0.00 H new ATOM 0 H2 ASP C 1 -16.664 -8.824 -7.721 1.00 0.00 H new ATOM 0 H3 ASP C 1 -16.492 -10.211 -8.685 1.00 0.00 H new ATOM 0 HA ASP C 1 -19.022 -8.979 -9.069 1.00 0.00 H new ATOM 0 HB2 ASP C 1 -18.338 -11.312 -9.715 1.00 0.00 H new ATOM 0 HB3 ASP C 1 -18.215 -11.727 -8.017 1.00 0.00 H new ATOM 13 N ASN C 2 -18.013 -9.553 -6.011 1.00 0.00 N ATOM 14 CA ASN C 2 -18.308 -9.332 -4.597 1.00 0.00 C ATOM 15 C ASN C 2 -17.877 -7.932 -4.204 1.00 0.00 C ATOM 16 O ASN C 2 -18.504 -7.279 -3.373 1.00 0.00 O ATOM 17 CB ASN C 2 -17.587 -10.360 -3.716 1.00 0.00 C ATOM 18 CG ASN C 2 -18.103 -11.774 -3.909 1.00 0.00 C ATOM 19 OD1 ASN C 2 -17.634 -12.504 -4.782 1.00 0.00 O ATOM 20 ND2 ASN C 2 -19.058 -12.180 -3.088 1.00 0.00 N ATOM 0 H ASN C 2 -17.066 -9.885 -6.193 1.00 0.00 H new ATOM 0 HA ASN C 2 -19.381 -9.446 -4.446 1.00 0.00 H new ATOM 0 HB2 ASN C 2 -16.520 -10.335 -3.938 1.00 0.00 H new ATOM 0 HB3 ASN C 2 -17.702 -10.077 -2.670 1.00 0.00 H new ATOM 0 HD21 ASN C 2 -19.430 -13.127 -3.167 1.00 0.00 H new ATOM 0 HD22 ASN C 2 -19.422 -11.546 -2.376 1.00 0.00 H new ATOM 27 N GLN C 3 -16.808 -7.473 -4.845 1.00 0.00 N ATOM 28 CA GLN C 3 -16.287 -6.123 -4.652 1.00 0.00 C ATOM 29 C GLN C 3 -17.327 -5.111 -5.088 1.00 0.00 C ATOM 30 O GLN C 3 -17.245 -3.928 -4.777 1.00 0.00 O ATOM 31 CB GLN C 3 -15.021 -5.913 -5.478 1.00 0.00 C ATOM 32 CG GLN C 3 -13.915 -6.920 -5.216 1.00 0.00 C ATOM 33 CD GLN C 3 -14.233 -8.312 -5.734 1.00 0.00 C ATOM 34 OE1 GLN C 3 -14.975 -8.472 -6.706 1.00 0.00 O ATOM 35 NE2 GLN C 3 -13.691 -9.325 -5.085 1.00 0.00 N ATOM 0 H GLN C 3 -16.276 -8.028 -5.515 1.00 0.00 H new ATOM 0 HA GLN C 3 -16.052 -5.992 -3.596 1.00 0.00 H new ATOM 0 HB2 GLN C 3 -15.284 -5.950 -6.535 1.00 0.00 H new ATOM 0 HB3 GLN C 3 -14.637 -4.912 -5.280 1.00 0.00 H new ATOM 0 HG2 GLN C 3 -12.995 -6.568 -5.683 1.00 0.00 H new ATOM 0 HG3 GLN C 3 -13.728 -6.973 -4.143 1.00 0.00 H new ATOM 0 HE21 GLN C 3 -13.082 -9.151 -4.285 1.00 0.00 H new ATOM 0 HE22 GLN C 3 -13.881 -10.282 -5.383 1.00 0.00 H new ATOM 44 N LYS C 4 -18.267 -5.610 -5.862 1.00 0.00 N ATOM 45 CA LYS C 4 -19.438 -4.867 -6.280 1.00 0.00 C ATOM 46 C LYS C 4 -20.063 -4.132 -5.092 1.00 0.00 C ATOM 47 O LYS C 4 -20.180 -2.907 -5.095 1.00 0.00 O ATOM 48 CB LYS C 4 -20.441 -5.852 -6.876 1.00 0.00 C ATOM 49 CG LYS C 4 -21.547 -5.195 -7.689 1.00 0.00 C ATOM 50 CD LYS C 4 -22.527 -6.223 -8.241 1.00 0.00 C ATOM 51 CE LYS C 4 -23.176 -7.049 -7.137 1.00 0.00 C ATOM 52 NZ LYS C 4 -23.908 -6.205 -6.153 1.00 0.00 N1+ ATOM 0 H LYS C 4 -18.239 -6.562 -6.226 1.00 0.00 H new ATOM 0 HA LYS C 4 -19.155 -4.121 -7.023 1.00 0.00 H new ATOM 0 HB2 LYS C 4 -19.907 -6.558 -7.512 1.00 0.00 H new ATOM 0 HB3 LYS C 4 -20.892 -6.429 -6.068 1.00 0.00 H new ATOM 0 HG2 LYS C 4 -22.083 -4.480 -7.064 1.00 0.00 H new ATOM 0 HG3 LYS C 4 -21.108 -4.632 -8.513 1.00 0.00 H new ATOM 0 HD2 LYS C 4 -23.301 -5.713 -8.814 1.00 0.00 H new ATOM 0 HD3 LYS C 4 -22.005 -6.887 -8.930 1.00 0.00 H new ATOM 0 HE2 LYS C 4 -23.866 -7.766 -7.581 1.00 0.00 H new ATOM 0 HE3 LYS C 4 -22.409 -7.624 -6.619 1.00 0.00 H new ATOM 0 HZ1 LYS C 4 -24.443 -6.815 -5.502 1.00 0.00 H new ATOM 0 HZ2 LYS C 4 -23.228 -5.634 -5.612 1.00 0.00 H new ATOM 0 HZ3 LYS C 4 -24.565 -5.576 -6.656 1.00 0.00 H new ATOM 66 N ALA C 5 -20.462 -4.893 -4.079 1.00 0.00 N ATOM 67 CA ALA C 5 -21.057 -4.317 -2.879 1.00 0.00 C ATOM 68 C ALA C 5 -20.008 -4.030 -1.812 1.00 0.00 C ATOM 69 O ALA C 5 -20.215 -3.196 -0.930 1.00 0.00 O ATOM 70 CB ALA C 5 -22.127 -5.243 -2.328 1.00 0.00 C ATOM 0 H ALA C 5 -20.384 -5.910 -4.065 1.00 0.00 H new ATOM 0 HA ALA C 5 -21.513 -3.367 -3.158 1.00 0.00 H new ATOM 0 HB1 ALA C 5 -22.564 -4.802 -1.432 1.00 0.00 H new ATOM 0 HB2 ALA C 5 -22.905 -5.387 -3.078 1.00 0.00 H new ATOM 0 HB3 ALA C 5 -21.681 -6.206 -2.078 1.00 0.00 H new ATOM 76 N LEU C 6 -18.891 -4.731 -1.890 1.00 0.00 N ATOM 77 CA LEU C 6 -17.838 -4.612 -0.890 1.00 0.00 C ATOM 78 C LEU C 6 -16.856 -3.499 -1.259 1.00 0.00 C ATOM 79 O LEU C 6 -16.954 -2.896 -2.323 1.00 0.00 O ATOM 80 CB LEU C 6 -17.104 -5.948 -0.738 1.00 0.00 C ATOM 81 CG LEU C 6 -17.980 -7.126 -0.299 1.00 0.00 C ATOM 82 CD1 LEU C 6 -17.154 -8.398 -0.203 1.00 0.00 C ATOM 83 CD2 LEU C 6 -18.655 -6.834 1.034 1.00 0.00 C ATOM 0 H LEU C 6 -18.687 -5.393 -2.639 1.00 0.00 H new ATOM 0 HA LEU C 6 -18.297 -4.352 0.064 1.00 0.00 H new ATOM 0 HB2 LEU C 6 -16.637 -6.198 -1.690 1.00 0.00 H new ATOM 0 HB3 LEU C 6 -16.301 -5.823 -0.012 1.00 0.00 H new ATOM 0 HG LEU C 6 -18.755 -7.269 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU C 6 -17.793 -9.224 0.110 1.00 0.00 H new ATOM 0 HD12 LEU C 6 -16.720 -8.624 -1.177 1.00 0.00 H new ATOM 0 HD13 LEU C 6 -16.356 -8.260 0.527 1.00 0.00 H new ATOM 0 HD21 LEU C 6 -19.271 -7.685 1.324 1.00 0.00 H new ATOM 0 HD22 LEU C 6 -17.895 -6.660 1.796 1.00 0.00 H new ATOM 0 HD23 LEU C 6 -19.282 -5.948 0.938 1.00 0.00 H new ATOM 95 N GLU C 7 -15.921 -3.223 -0.362 1.00 0.00 N ATOM 96 CA GLU C 7 -14.978 -2.124 -0.547 1.00 0.00 C ATOM 97 C GLU C 7 -13.623 -2.620 -1.047 1.00 0.00 C ATOM 98 O GLU C 7 -12.623 -1.912 -0.935 1.00 0.00 O ATOM 99 CB GLU C 7 -14.789 -1.346 0.759 1.00 0.00 C ATOM 100 CG GLU C 7 -15.899 -0.352 1.076 1.00 0.00 C ATOM 101 CD GLU C 7 -17.244 -1.006 1.291 1.00 0.00 C ATOM 102 OE1 GLU C 7 -18.180 -0.714 0.517 1.00 0.00 O ATOM 103 OE2 GLU C 7 -17.374 -1.815 2.232 1.00 0.00 O1- ATOM 0 H GLU C 7 -15.793 -3.745 0.505 1.00 0.00 H new ATOM 0 HA GLU C 7 -15.401 -1.463 -1.303 1.00 0.00 H new ATOM 0 HB2 GLU C 7 -14.711 -2.057 1.581 1.00 0.00 H new ATOM 0 HB3 GLU C 7 -13.842 -0.809 0.712 1.00 0.00 H new ATOM 0 HG2 GLU C 7 -15.629 0.210 1.970 1.00 0.00 H new ATOM 0 HG3 GLU C 7 -15.978 0.366 0.260 1.00 0.00 H new ATOM 110 N GLU C 8 -13.591 -3.846 -1.573 1.00 0.00 N ATOM 111 CA GLU C 8 -12.377 -4.405 -2.180 1.00 0.00 C ATOM 112 C GLU C 8 -11.277 -4.628 -1.144 1.00 0.00 C ATOM 113 O GLU C 8 -10.102 -4.776 -1.476 1.00 0.00 O ATOM 114 CB GLU C 8 -11.884 -3.508 -3.319 1.00 0.00 C ATOM 115 CG GLU C 8 -12.825 -3.507 -4.509 1.00 0.00 C ATOM 116 CD GLU C 8 -12.465 -2.488 -5.564 1.00 0.00 C ATOM 117 OE1 GLU C 8 -13.387 -1.842 -6.107 1.00 0.00 O ATOM 118 OE2 GLU C 8 -11.265 -2.338 -5.871 1.00 0.00 O1- ATOM 0 H GLU C 8 -14.394 -4.474 -1.592 1.00 0.00 H new ATOM 0 HA GLU C 8 -12.633 -5.380 -2.594 1.00 0.00 H new ATOM 0 HB2 GLU C 8 -11.769 -2.489 -2.950 1.00 0.00 H new ATOM 0 HB3 GLU C 8 -10.898 -3.844 -3.640 1.00 0.00 H new ATOM 0 HG2 GLU C 8 -12.828 -4.499 -4.960 1.00 0.00 H new ATOM 0 HG3 GLU C 8 -13.839 -3.313 -4.159 1.00 0.00 H new ATOM 125 N GLN C 9 -11.683 -4.673 0.116 1.00 0.00 N ATOM 126 CA GLN C 9 -10.773 -4.917 1.230 1.00 0.00 C ATOM 127 C GLN C 9 -10.514 -6.411 1.398 1.00 0.00 C ATOM 128 O GLN C 9 -10.055 -6.861 2.447 1.00 0.00 O ATOM 129 CB GLN C 9 -11.371 -4.350 2.514 1.00 0.00 C ATOM 130 CG GLN C 9 -11.480 -2.836 2.523 1.00 0.00 C ATOM 131 CD GLN C 9 -12.634 -2.336 3.367 1.00 0.00 C ATOM 132 OE1 GLN C 9 -12.543 -1.294 4.014 1.00 0.00 O ATOM 133 NE2 GLN C 9 -13.750 -3.049 3.325 1.00 0.00 N ATOM 0 H GLN C 9 -12.654 -4.541 0.398 1.00 0.00 H new ATOM 0 HA GLN C 9 -9.824 -4.423 1.019 1.00 0.00 H new ATOM 0 HB2 GLN C 9 -12.363 -4.777 2.661 1.00 0.00 H new ATOM 0 HB3 GLN C 9 -10.759 -4.666 3.359 1.00 0.00 H new ATOM 0 HG2 GLN C 9 -10.549 -2.411 2.900 1.00 0.00 H new ATOM 0 HG3 GLN C 9 -11.602 -2.479 1.500 1.00 0.00 H new ATOM 0 HE21 GLN C 9 -13.786 -3.908 2.777 1.00 0.00 H new ATOM 0 HE22 GLN C 9 -14.573 -2.739 3.841 1.00 0.00 H new ATOM 142 N MET C 10 -10.827 -7.171 0.361 1.00 0.00 N ATOM 143 CA MET C 10 -10.740 -8.623 0.406 1.00 0.00 C ATOM 144 C MET C 10 -9.301 -9.091 0.174 1.00 0.00 C ATOM 145 O MET C 10 -8.348 -8.387 0.512 1.00 0.00 O ATOM 146 CB MET C 10 -11.668 -9.218 -0.653 1.00 0.00 C ATOM 147 CG MET C 10 -13.098 -8.707 -0.567 1.00 0.00 C ATOM 148 SD MET C 10 -14.120 -9.245 -1.952 1.00 0.00 S ATOM 149 CE MET C 10 -14.085 -11.022 -1.733 1.00 0.00 C ATOM 0 H MET C 10 -11.148 -6.801 -0.534 1.00 0.00 H new ATOM 0 HA MET C 10 -11.048 -8.965 1.394 1.00 0.00 H new ATOM 0 HB2 MET C 10 -11.269 -8.992 -1.642 1.00 0.00 H new ATOM 0 HB3 MET C 10 -11.672 -10.303 -0.552 1.00 0.00 H new ATOM 0 HG2 MET C 10 -13.546 -9.052 0.365 1.00 0.00 H new ATOM 0 HG3 MET C 10 -13.088 -7.618 -0.531 1.00 0.00 H new ATOM 0 HE1 MET C 10 -14.859 -11.480 -2.348 1.00 0.00 H new ATOM 0 HE2 MET C 10 -13.110 -11.406 -2.032 1.00 0.00 H new ATOM 0 HE3 MET C 10 -14.264 -11.263 -0.685 1.00 0.00 H new ATOM 159 N ASN C 11 -9.147 -10.271 -0.422 1.00 0.00 N ATOM 160 CA ASN C 11 -7.819 -10.840 -0.683 1.00 0.00 C ATOM 161 C ASN C 11 -6.998 -9.966 -1.622 1.00 0.00 C ATOM 162 O ASN C 11 -5.798 -10.189 -1.780 1.00 0.00 O ATOM 163 CB ASN C 11 -7.934 -12.253 -1.262 1.00 0.00 C ATOM 164 CG ASN C 11 -8.403 -13.269 -0.240 1.00 0.00 C ATOM 165 OD1 ASN C 11 -8.163 -13.121 0.957 1.00 0.00 O ATOM 166 ND2 ASN C 11 -9.070 -14.315 -0.704 1.00 0.00 N ATOM 0 H ASN C 11 -9.923 -10.855 -0.735 1.00 0.00 H new ATOM 0 HA ASN C 11 -7.302 -10.885 0.276 1.00 0.00 H new ATOM 0 HB2 ASN C 11 -8.629 -12.241 -2.102 1.00 0.00 H new ATOM 0 HB3 ASN C 11 -6.965 -12.560 -1.655 1.00 0.00 H new ATOM 0 HD21 ASN C 11 -9.404 -15.033 -0.061 1.00 0.00 H new ATOM 0 HD22 ASN C 11 -9.250 -14.403 -1.704 1.00 0.00 H new ATOM 173 N SER C 12 -7.632 -8.972 -2.235 1.00 0.00 N ATOM 174 CA SER C 12 -6.928 -8.045 -3.109 1.00 0.00 C ATOM 175 C SER C 12 -5.777 -7.374 -2.359 1.00 0.00 C ATOM 176 O SER C 12 -4.674 -7.247 -2.892 1.00 0.00 O ATOM 177 CB SER C 12 -7.892 -6.989 -3.658 1.00 0.00 C ATOM 178 OG SER C 12 -7.267 -6.183 -4.642 1.00 0.00 O ATOM 0 H SER C 12 -8.631 -8.789 -2.142 1.00 0.00 H new ATOM 0 HA SER C 12 -6.516 -8.607 -3.947 1.00 0.00 H new ATOM 0 HB2 SER C 12 -8.766 -7.479 -4.088 1.00 0.00 H new ATOM 0 HB3 SER C 12 -8.249 -6.360 -2.842 1.00 0.00 H new ATOM 0 HG SER C 12 -7.906 -5.519 -4.975 1.00 0.00 H new ATOM 184 N ILE C 13 -6.024 -6.974 -1.113 1.00 0.00 N ATOM 185 CA ILE C 13 -4.989 -6.325 -0.318 1.00 0.00 C ATOM 186 C ILE C 13 -4.105 -7.358 0.376 1.00 0.00 C ATOM 187 O ILE C 13 -2.929 -7.109 0.615 1.00 0.00 O ATOM 188 CB ILE C 13 -5.569 -5.325 0.719 1.00 0.00 C ATOM 189 CG1 ILE C 13 -6.493 -6.017 1.725 1.00 0.00 C ATOM 190 CG2 ILE C 13 -6.307 -4.194 0.023 1.00 0.00 C ATOM 191 CD1 ILE C 13 -5.836 -6.287 3.061 1.00 0.00 C ATOM 0 H ILE C 13 -6.920 -7.087 -0.639 1.00 0.00 H new ATOM 0 HA ILE C 13 -4.380 -5.748 -1.014 1.00 0.00 H new ATOM 0 HB ILE C 13 -4.726 -4.911 1.272 1.00 0.00 H new ATOM 0 HG12 ILE C 13 -7.376 -5.397 1.882 1.00 0.00 H new ATOM 0 HG13 ILE C 13 -6.837 -6.960 1.301 1.00 0.00 H new ATOM 0 HG21 ILE C 13 -6.705 -3.506 0.769 1.00 0.00 H new ATOM 0 HG22 ILE C 13 -5.619 -3.660 -0.633 1.00 0.00 H new ATOM 0 HG23 ILE C 13 -7.127 -4.603 -0.567 1.00 0.00 H new ATOM 0 HD11 ILE C 13 -6.548 -6.779 3.724 1.00 0.00 H new ATOM 0 HD12 ILE C 13 -4.970 -6.932 2.917 1.00 0.00 H new ATOM 0 HD13 ILE C 13 -5.516 -5.345 3.506 1.00 0.00 H new ATOM 203 N ASN C 14 -4.666 -8.527 0.678 1.00 0.00 N ATOM 204 CA ASN C 14 -3.900 -9.598 1.320 1.00 0.00 C ATOM 205 C ASN C 14 -2.817 -10.107 0.389 1.00 0.00 C ATOM 206 O ASN C 14 -1.686 -10.344 0.805 1.00 0.00 O ATOM 207 CB ASN C 14 -4.777 -10.783 1.688 1.00 0.00 C ATOM 208 CG ASN C 14 -5.861 -10.471 2.703 1.00 0.00 C ATOM 209 OD1 ASN C 14 -6.418 -9.376 2.731 1.00 0.00 O ATOM 210 ND2 ASN C 14 -6.164 -11.440 3.552 1.00 0.00 N ATOM 0 H ASN C 14 -5.642 -8.758 0.491 1.00 0.00 H new ATOM 0 HA ASN C 14 -3.469 -9.169 2.225 1.00 0.00 H new ATOM 0 HB2 ASN C 14 -5.245 -11.168 0.782 1.00 0.00 H new ATOM 0 HB3 ASN C 14 -4.145 -11.578 2.083 1.00 0.00 H new ATOM 0 HD21 ASN C 14 -6.882 -11.291 4.261 1.00 0.00 H new ATOM 0 HD22 ASN C 14 -5.679 -12.336 3.497 1.00 0.00 H new ATOM 217 N SER C 15 -3.185 -10.299 -0.872 1.00 0.00 N ATOM 218 CA SER C 15 -2.236 -10.735 -1.887 1.00 0.00 C ATOM 219 C SER C 15 -1.071 -9.756 -1.963 1.00 0.00 C ATOM 220 O SER C 15 0.072 -10.150 -2.184 1.00 0.00 O ATOM 221 CB SER C 15 -2.925 -10.851 -3.249 1.00 0.00 C ATOM 222 OG SER C 15 -4.059 -11.700 -3.177 1.00 0.00 O ATOM 0 H SER C 15 -4.135 -10.159 -1.216 1.00 0.00 H new ATOM 0 HA SER C 15 -1.853 -11.718 -1.612 1.00 0.00 H new ATOM 0 HB2 SER C 15 -3.229 -9.862 -3.592 1.00 0.00 H new ATOM 0 HB3 SER C 15 -2.221 -11.241 -3.984 1.00 0.00 H new ATOM 0 HG SER C 15 -4.784 -11.238 -2.707 1.00 0.00 H new ATOM 228 N VAL C 16 -1.371 -8.480 -1.755 1.00 0.00 N ATOM 229 CA VAL C 16 -0.347 -7.449 -1.706 1.00 0.00 C ATOM 230 C VAL C 16 0.394 -7.506 -0.376 1.00 0.00 C ATOM 231 O VAL C 16 1.587 -7.213 -0.316 1.00 0.00 O ATOM 232 CB VAL C 16 -0.949 -6.044 -1.894 1.00 0.00 C ATOM 233 CG1 VAL C 16 0.137 -4.980 -1.875 1.00 0.00 C ATOM 234 CG2 VAL C 16 -1.735 -5.969 -3.187 1.00 0.00 C ATOM 0 H VAL C 16 -2.321 -8.135 -1.617 1.00 0.00 H new ATOM 0 HA VAL C 16 0.348 -7.638 -2.524 1.00 0.00 H new ATOM 0 HB VAL C 16 -1.628 -5.855 -1.062 1.00 0.00 H new ATOM 0 HG11 VAL C 16 -0.314 -3.997 -2.010 1.00 0.00 H new ATOM 0 HG12 VAL C 16 0.660 -5.011 -0.919 1.00 0.00 H new ATOM 0 HG13 VAL C 16 0.845 -5.168 -2.682 1.00 0.00 H new ATOM 0 HG21 VAL C 16 -2.152 -4.969 -3.302 1.00 0.00 H new ATOM 0 HG22 VAL C 16 -1.075 -6.185 -4.027 1.00 0.00 H new ATOM 0 HG23 VAL C 16 -2.544 -6.699 -3.164 1.00 0.00 H new ATOM 244 N ASN C 17 -0.301 -7.906 0.688 1.00 0.00 N ATOM 245 CA ASN C 17 0.342 -8.032 1.995 1.00 0.00 C ATOM 246 C ASN C 17 1.452 -9.063 1.920 1.00 0.00 C ATOM 247 O ASN C 17 2.583 -8.808 2.325 1.00 0.00 O ATOM 248 CB ASN C 17 -0.663 -8.433 3.078 1.00 0.00 C ATOM 249 CG ASN C 17 -1.529 -7.279 3.531 1.00 0.00 C ATOM 250 OD1 ASN C 17 -1.095 -6.135 3.543 1.00 0.00 O ATOM 251 ND2 ASN C 17 -2.759 -7.572 3.910 1.00 0.00 N ATOM 0 H ASN C 17 -1.293 -8.145 0.673 1.00 0.00 H new ATOM 0 HA ASN C 17 0.756 -7.060 2.263 1.00 0.00 H new ATOM 0 HB2 ASN C 17 -1.300 -9.232 2.698 1.00 0.00 H new ATOM 0 HB3 ASN C 17 -0.124 -8.836 3.936 1.00 0.00 H new ATOM 0 HD21 ASN C 17 -3.385 -6.832 4.227 1.00 0.00 H new ATOM 0 HD22 ASN C 17 -3.084 -8.539 3.885 1.00 0.00 H new ATOM 258 N ASP C 18 1.120 -10.215 1.359 1.00 0.00 N ATOM 259 CA ASP C 18 2.078 -11.297 1.172 1.00 0.00 C ATOM 260 C ASP C 18 3.047 -10.982 0.038 1.00 0.00 C ATOM 261 O ASP C 18 4.073 -11.640 -0.119 1.00 0.00 O ATOM 262 CB ASP C 18 1.347 -12.613 0.904 1.00 0.00 C ATOM 263 CG ASP C 18 0.671 -13.153 2.147 1.00 0.00 C ATOM 264 OD1 ASP C 18 -0.578 -13.169 2.197 1.00 0.00 O ATOM 265 OD2 ASP C 18 1.385 -13.548 3.093 1.00 0.00 O1- ATOM 0 H ASP C 18 0.182 -10.428 1.021 1.00 0.00 H new ATOM 0 HA ASP C 18 2.658 -11.400 2.089 1.00 0.00 H new ATOM 0 HB2 ASP C 18 0.601 -12.461 0.124 1.00 0.00 H new ATOM 0 HB3 ASP C 18 2.056 -13.351 0.528 1.00 0.00 H new ATOM 270 N LYS C 19 2.704 -9.979 -0.758 1.00 0.00 N ATOM 271 CA LYS C 19 3.545 -9.553 -1.871 1.00 0.00 C ATOM 272 C LYS C 19 4.658 -8.668 -1.332 1.00 0.00 C ATOM 273 O LYS C 19 5.825 -8.820 -1.681 1.00 0.00 O ATOM 274 CB LYS C 19 2.700 -8.766 -2.888 1.00 0.00 C ATOM 275 CG LYS C 19 3.165 -8.860 -4.336 1.00 0.00 C ATOM 276 CD LYS C 19 4.539 -8.246 -4.568 1.00 0.00 C ATOM 277 CE LYS C 19 4.561 -6.744 -4.319 1.00 0.00 C ATOM 278 NZ LYS C 19 5.880 -6.154 -4.674 1.00 0.00 N1+ ATOM 0 H LYS C 19 1.844 -9.441 -0.654 1.00 0.00 H new ATOM 0 HA LYS C 19 3.973 -10.424 -2.367 1.00 0.00 H new ATOM 0 HB2 LYS C 19 1.671 -9.120 -2.831 1.00 0.00 H new ATOM 0 HB3 LYS C 19 2.693 -7.716 -2.594 1.00 0.00 H new ATOM 0 HG2 LYS C 19 3.187 -9.908 -4.636 1.00 0.00 H new ATOM 0 HG3 LYS C 19 2.438 -8.360 -4.977 1.00 0.00 H new ATOM 0 HD2 LYS C 19 5.264 -8.729 -3.913 1.00 0.00 H new ATOM 0 HD3 LYS C 19 4.853 -8.445 -5.593 1.00 0.00 H new ATOM 0 HE2 LYS C 19 3.777 -6.265 -4.905 1.00 0.00 H new ATOM 0 HE3 LYS C 19 4.342 -6.544 -3.270 1.00 0.00 H new ATOM 0 HZ1 LYS C 19 5.962 -5.207 -4.251 1.00 0.00 H new ATOM 0 HZ2 LYS C 19 6.641 -6.763 -4.311 1.00 0.00 H new ATOM 0 HZ3 LYS C 19 5.960 -6.079 -5.708 1.00 0.00 H new ATOM 292 N LEU C 20 4.263 -7.746 -0.471 1.00 0.00 N ATOM 293 CA LEU C 20 5.179 -6.791 0.124 1.00 0.00 C ATOM 294 C LEU C 20 5.975 -7.430 1.254 1.00 0.00 C ATOM 295 O LEU C 20 7.147 -7.115 1.457 1.00 0.00 O ATOM 296 CB LEU C 20 4.384 -5.590 0.630 1.00 0.00 C ATOM 297 CG LEU C 20 3.675 -4.791 -0.467 1.00 0.00 C ATOM 298 CD1 LEU C 20 2.898 -3.632 0.127 1.00 0.00 C ATOM 299 CD2 LEU C 20 4.679 -4.286 -1.489 1.00 0.00 C ATOM 0 H LEU C 20 3.296 -7.639 -0.165 1.00 0.00 H new ATOM 0 HA LEU C 20 5.894 -6.460 -0.630 1.00 0.00 H new ATOM 0 HB2 LEU C 20 3.640 -5.938 1.347 1.00 0.00 H new ATOM 0 HB3 LEU C 20 5.059 -4.924 1.169 1.00 0.00 H new ATOM 0 HG LEU C 20 2.970 -5.454 -0.969 1.00 0.00 H new ATOM 0 HD11 LEU C 20 2.403 -3.079 -0.671 1.00 0.00 H new ATOM 0 HD12 LEU C 20 2.150 -4.014 0.822 1.00 0.00 H new ATOM 0 HD13 LEU C 20 3.582 -2.969 0.657 1.00 0.00 H new ATOM 0 HD21 LEU C 20 4.158 -3.720 -2.262 1.00 0.00 H new ATOM 0 HD22 LEU C 20 5.407 -3.642 -0.996 1.00 0.00 H new ATOM 0 HD23 LEU C 20 5.193 -5.133 -1.944 1.00 0.00 H new ATOM 311 N ASN C 21 5.338 -8.332 1.985 1.00 0.00 N ATOM 312 CA ASN C 21 6.017 -9.098 3.022 1.00 0.00 C ATOM 313 C ASN C 21 6.826 -10.234 2.388 1.00 0.00 C ATOM 314 O ASN C 21 6.512 -11.412 2.559 1.00 0.00 O ATOM 315 CB ASN C 21 5.001 -9.653 4.037 1.00 0.00 C ATOM 316 CG ASN C 21 4.581 -8.631 5.092 1.00 0.00 C ATOM 317 OD1 ASN C 21 5.211 -8.525 6.141 1.00 0.00 O ATOM 318 ND2 ASN C 21 3.511 -7.878 4.840 1.00 0.00 N ATOM 0 H ASN C 21 4.348 -8.553 1.879 1.00 0.00 H new ATOM 0 HA ASN C 21 6.701 -8.438 3.556 1.00 0.00 H new ATOM 0 HB2 ASN C 21 4.116 -9.998 3.503 1.00 0.00 H new ATOM 0 HB3 ASN C 21 5.432 -10.522 4.534 1.00 0.00 H new ATOM 0 HD21 ASN C 21 3.197 -7.193 5.527 1.00 0.00 H new ATOM 0 HD22 ASN C 21 3.006 -7.987 3.960 1.00 0.00 H new ATOM 325 N LYS C 22 7.877 -9.862 1.656 1.00 0.00 N ATOM 326 CA LYS C 22 8.666 -10.820 0.879 1.00 0.00 C ATOM 327 C LYS C 22 10.017 -11.148 1.520 1.00 0.00 C ATOM 328 O LYS C 22 10.706 -12.073 1.083 1.00 0.00 O ATOM 329 CB LYS C 22 8.889 -10.301 -0.553 1.00 0.00 C ATOM 330 CG LYS C 22 9.060 -8.784 -0.684 1.00 0.00 C ATOM 331 CD LYS C 22 10.204 -8.230 0.162 1.00 0.00 C ATOM 332 CE LYS C 22 10.432 -6.746 -0.111 1.00 0.00 C ATOM 333 NZ LYS C 22 9.152 -5.990 -0.184 1.00 0.00 N1+ ATOM 0 H LYS C 22 8.203 -8.898 1.585 1.00 0.00 H new ATOM 0 HA LYS C 22 8.086 -11.743 0.856 1.00 0.00 H new ATOM 0 HB2 LYS C 22 9.775 -10.786 -0.963 1.00 0.00 H new ATOM 0 HB3 LYS C 22 8.044 -10.609 -1.168 1.00 0.00 H new ATOM 0 HG2 LYS C 22 9.237 -8.534 -1.730 1.00 0.00 H new ATOM 0 HG3 LYS C 22 8.131 -8.294 -0.392 1.00 0.00 H new ATOM 0 HD2 LYS C 22 9.981 -8.377 1.219 1.00 0.00 H new ATOM 0 HD3 LYS C 22 11.118 -8.785 -0.051 1.00 0.00 H new ATOM 0 HE2 LYS C 22 11.058 -6.325 0.676 1.00 0.00 H new ATOM 0 HE3 LYS C 22 10.976 -6.629 -1.048 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 9.221 -5.134 0.402 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 8.964 -5.720 -1.171 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 8.376 -6.587 0.166 1.00 0.00 H new ATOM 347 N GLY C 23 10.390 -10.402 2.546 1.00 0.00 N ATOM 348 CA GLY C 23 11.692 -10.581 3.162 1.00 0.00 C ATOM 349 C GLY C 23 12.107 -9.349 3.927 1.00 0.00 C ATOM 350 O GLY C 23 12.049 -9.322 5.151 1.00 0.00 O ATOM 0 H GLY C 23 9.814 -9.672 2.967 1.00 0.00 H new ATOM 0 HA2 GLY C 23 11.664 -11.438 3.835 1.00 0.00 H new ATOM 0 HA3 GLY C 23 12.433 -10.802 2.394 1.00 0.00 H new ATOM 354 N LYS C 24 12.539 -8.329 3.209 1.00 0.00 N ATOM 355 CA LYS C 24 12.739 -7.025 3.792 1.00 0.00 C ATOM 356 C LYS C 24 11.528 -6.170 3.451 1.00 0.00 C ATOM 357 O LYS C 24 10.563 -6.696 2.901 1.00 0.00 O ATOM 358 CB LYS C 24 14.013 -6.419 3.219 1.00 0.00 C ATOM 359 CG LYS C 24 14.685 -5.400 4.108 1.00 0.00 C ATOM 360 CD LYS C 24 16.073 -5.122 3.591 1.00 0.00 C ATOM 361 CE LYS C 24 16.717 -3.938 4.292 1.00 0.00 C ATOM 362 NZ LYS C 24 18.148 -3.785 3.918 1.00 0.00 N1+ ATOM 0 H LYS C 24 12.758 -8.384 2.214 1.00 0.00 H new ATOM 0 HA LYS C 24 12.845 -7.085 4.875 1.00 0.00 H new ATOM 0 HB2 LYS C 24 14.720 -7.223 3.012 1.00 0.00 H new ATOM 0 HB3 LYS C 24 13.777 -5.949 2.264 1.00 0.00 H new ATOM 0 HG2 LYS C 24 14.102 -4.479 4.130 1.00 0.00 H new ATOM 0 HG3 LYS C 24 14.734 -5.770 5.132 1.00 0.00 H new ATOM 0 HD2 LYS C 24 16.695 -6.007 3.729 1.00 0.00 H new ATOM 0 HD3 LYS C 24 16.028 -4.928 2.519 1.00 0.00 H new ATOM 0 HE2 LYS C 24 16.176 -3.027 4.038 1.00 0.00 H new ATOM 0 HE3 LYS C 24 16.635 -4.066 5.371 1.00 0.00 H new ATOM 0 HZ1 LYS C 24 18.552 -2.967 4.417 1.00 0.00 H new ATOM 0 HZ2 LYS C 24 18.670 -4.644 4.184 1.00 0.00 H new ATOM 0 HZ3 LYS C 24 18.225 -3.637 2.891 1.00 0.00 H new ATOM 376 N GLY C 25 11.580 -4.888 3.810 1.00 0.00 N ATOM 377 CA GLY C 25 10.582 -3.907 3.383 1.00 0.00 C ATOM 378 C GLY C 25 9.189 -4.431 3.213 1.00 0.00 C ATOM 379 O GLY C 25 8.789 -4.820 2.120 1.00 0.00 O ATOM 0 H GLY C 25 12.313 -4.500 4.404 1.00 0.00 H new ATOM 0 HA2 GLY C 25 10.560 -3.097 4.112 1.00 0.00 H new ATOM 0 HA3 GLY C 25 10.906 -3.474 2.436 1.00 0.00 H new ATOM 383 N LYS C 26 8.430 -4.401 4.268 1.00 0.00 N ATOM 384 CA LYS C 26 7.132 -5.028 4.237 1.00 0.00 C ATOM 385 C LYS C 26 6.048 -4.090 4.717 1.00 0.00 C ATOM 386 O LYS C 26 6.264 -3.289 5.628 1.00 0.00 O ATOM 387 CB LYS C 26 7.186 -6.290 5.072 1.00 0.00 C ATOM 388 CG LYS C 26 7.566 -6.050 6.517 1.00 0.00 C ATOM 389 CD LYS C 26 8.238 -7.272 7.095 1.00 0.00 C ATOM 390 CE LYS C 26 9.671 -7.389 6.607 1.00 0.00 C ATOM 391 NZ LYS C 26 10.208 -8.749 6.872 1.00 0.00 N1+ ATOM 0 H LYS C 26 8.678 -3.957 5.152 1.00 0.00 H new ATOM 0 HA LYS C 26 6.879 -5.284 3.208 1.00 0.00 H new ATOM 0 HB2 LYS C 26 6.212 -6.779 5.038 1.00 0.00 H new ATOM 0 HB3 LYS C 26 7.904 -6.979 4.627 1.00 0.00 H new ATOM 0 HG2 LYS C 26 8.235 -5.192 6.586 1.00 0.00 H new ATOM 0 HG3 LYS C 26 6.676 -5.807 7.098 1.00 0.00 H new ATOM 0 HD2 LYS C 26 8.224 -7.218 8.184 1.00 0.00 H new ATOM 0 HD3 LYS C 26 7.680 -8.165 6.813 1.00 0.00 H new ATOM 0 HE2 LYS C 26 9.715 -7.177 5.539 1.00 0.00 H new ATOM 0 HE3 LYS C 26 10.292 -6.644 7.105 1.00 0.00 H new ATOM 0 HZ1 LYS C 26 10.753 -9.074 6.048 1.00 0.00 H new ATOM 0 HZ2 LYS C 26 10.827 -8.721 7.707 1.00 0.00 H new ATOM 0 HZ3 LYS C 26 9.420 -9.405 7.047 1.00 0.00 H new ATOM 405 N LEU C 27 4.889 -4.190 4.090 1.00 0.00 N ATOM 406 CA LEU C 27 3.786 -3.309 4.395 1.00 0.00 C ATOM 407 C LEU C 27 2.544 -4.115 4.735 1.00 0.00 C ATOM 408 O LEU C 27 2.160 -5.018 3.993 1.00 0.00 O ATOM 409 CB LEU C 27 3.502 -2.380 3.207 1.00 0.00 C ATOM 410 CG LEU C 27 2.647 -1.168 3.542 1.00 0.00 C ATOM 411 CD1 LEU C 27 3.325 -0.344 4.618 1.00 0.00 C ATOM 412 CD2 LEU C 27 2.397 -0.329 2.298 1.00 0.00 C ATOM 0 H LEU C 27 4.691 -4.878 3.363 1.00 0.00 H new ATOM 0 HA LEU C 27 4.057 -2.702 5.259 1.00 0.00 H new ATOM 0 HB2 LEU C 27 4.451 -2.036 2.796 1.00 0.00 H new ATOM 0 HB3 LEU C 27 3.005 -2.954 2.425 1.00 0.00 H new ATOM 0 HG LEU C 27 1.682 -1.509 3.917 1.00 0.00 H new ATOM 0 HD11 LEU C 27 2.709 0.523 4.855 1.00 0.00 H new ATOM 0 HD12 LEU C 27 3.456 -0.952 5.513 1.00 0.00 H new ATOM 0 HD13 LEU C 27 4.299 -0.010 4.261 1.00 0.00 H new ATOM 0 HD21 LEU C 27 1.783 0.534 2.558 1.00 0.00 H new ATOM 0 HD22 LEU C 27 3.349 0.012 1.892 1.00 0.00 H new ATOM 0 HD23 LEU C 27 1.879 -0.931 1.551 1.00 0.00 H new ATOM 424 N SER C 28 1.941 -3.808 5.871 1.00 0.00 N ATOM 425 CA SER C 28 0.684 -4.425 6.252 1.00 0.00 C ATOM 426 C SER C 28 -0.467 -3.470 5.940 1.00 0.00 C ATOM 427 O SER C 28 -0.611 -2.428 6.582 1.00 0.00 O ATOM 428 CB SER C 28 0.691 -4.772 7.740 1.00 0.00 C ATOM 429 OG SER C 28 1.761 -5.645 8.055 1.00 0.00 O ATOM 0 H SER C 28 2.303 -3.134 6.546 1.00 0.00 H new ATOM 0 HA SER C 28 0.553 -5.346 5.684 1.00 0.00 H new ATOM 0 HB2 SER C 28 0.777 -3.859 8.329 1.00 0.00 H new ATOM 0 HB3 SER C 28 -0.256 -5.239 8.012 1.00 0.00 H new ATOM 0 HG SER C 28 1.744 -5.850 9.013 1.00 0.00 H new ATOM 435 N LEU C 29 -1.269 -3.829 4.954 1.00 0.00 N ATOM 436 CA LEU C 29 -2.325 -2.968 4.435 1.00 0.00 C ATOM 437 C LEU C 29 -3.557 -2.993 5.311 1.00 0.00 C ATOM 438 O LEU C 29 -3.995 -4.058 5.754 1.00 0.00 O ATOM 439 CB LEU C 29 -2.711 -3.436 3.029 1.00 0.00 C ATOM 440 CG LEU C 29 -1.731 -3.110 1.892 1.00 0.00 C ATOM 441 CD1 LEU C 29 -0.288 -3.438 2.245 1.00 0.00 C ATOM 442 CD2 LEU C 29 -2.137 -3.880 0.652 1.00 0.00 C ATOM 0 H LEU C 29 -1.208 -4.733 4.485 1.00 0.00 H new ATOM 0 HA LEU C 29 -1.942 -1.948 4.416 1.00 0.00 H new ATOM 0 HB2 LEU C 29 -2.849 -4.517 3.058 1.00 0.00 H new ATOM 0 HB3 LEU C 29 -3.677 -2.998 2.779 1.00 0.00 H new ATOM 0 HG LEU C 29 -1.780 -2.035 1.715 1.00 0.00 H new ATOM 0 HD11 LEU C 29 0.358 -3.187 1.404 1.00 0.00 H new ATOM 0 HD12 LEU C 29 0.013 -2.861 3.119 1.00 0.00 H new ATOM 0 HD13 LEU C 29 -0.200 -4.502 2.465 1.00 0.00 H new ATOM 0 HD21 LEU C 29 -1.446 -3.653 -0.160 1.00 0.00 H new ATOM 0 HD22 LEU C 29 -2.111 -4.949 0.863 1.00 0.00 H new ATOM 0 HD23 LEU C 29 -3.147 -3.592 0.359 1.00 0.00 H new ATOM 454 N SER C 30 -4.114 -1.816 5.573 1.00 0.00 N ATOM 455 CA SER C 30 -5.390 -1.738 6.232 1.00 0.00 C ATOM 456 C SER C 30 -6.204 -0.577 5.672 1.00 0.00 C ATOM 457 O SER C 30 -5.712 0.549 5.577 1.00 0.00 O ATOM 458 CB SER C 30 -5.204 -1.586 7.742 1.00 0.00 C ATOM 459 OG SER C 30 -4.436 -2.658 8.269 1.00 0.00 O ATOM 0 H SER C 30 -3.697 -0.915 5.337 1.00 0.00 H new ATOM 0 HA SER C 30 -5.935 -2.664 6.046 1.00 0.00 H new ATOM 0 HB2 SER C 30 -4.710 -0.639 7.958 1.00 0.00 H new ATOM 0 HB3 SER C 30 -6.178 -1.556 8.231 1.00 0.00 H new ATOM 0 HG SER C 30 -4.328 -2.539 9.236 1.00 0.00 H new ATOM 465 N MET C 31 -7.441 -0.860 5.289 1.00 0.00 N ATOM 466 CA MET C 31 -8.325 0.163 4.749 1.00 0.00 C ATOM 467 C MET C 31 -9.605 0.212 5.568 1.00 0.00 C ATOM 468 O MET C 31 -10.210 -0.827 5.845 1.00 0.00 O ATOM 469 CB MET C 31 -8.659 -0.116 3.275 1.00 0.00 C ATOM 470 CG MET C 31 -7.437 -0.358 2.404 1.00 0.00 C ATOM 471 SD MET C 31 -7.783 -0.246 0.635 1.00 0.00 S ATOM 472 CE MET C 31 -9.037 -1.505 0.431 1.00 0.00 C ATOM 0 H MET C 31 -7.855 -1.790 5.342 1.00 0.00 H new ATOM 0 HA MET C 31 -7.815 1.125 4.805 1.00 0.00 H new ATOM 0 HB2 MET C 31 -9.312 -0.987 3.219 1.00 0.00 H new ATOM 0 HB3 MET C 31 -9.219 0.728 2.873 1.00 0.00 H new ATOM 0 HG2 MET C 31 -6.666 0.368 2.663 1.00 0.00 H new ATOM 0 HG3 MET C 31 -7.032 -1.345 2.626 1.00 0.00 H new ATOM 0 HE1 MET C 31 -8.938 -1.961 -0.554 1.00 0.00 H new ATOM 0 HE2 MET C 31 -8.914 -2.269 1.199 1.00 0.00 H new ATOM 0 HE3 MET C 31 -10.025 -1.053 0.524 1.00 0.00 H new ATOM 482 N ASN C 32 -10.001 1.407 5.977 1.00 0.00 N ATOM 483 CA ASN C 32 -11.208 1.571 6.777 1.00 0.00 C ATOM 484 C ASN C 32 -11.881 2.904 6.484 1.00 0.00 C ATOM 485 O ASN C 32 -11.573 3.916 7.116 1.00 0.00 O ATOM 486 CB ASN C 32 -10.872 1.471 8.268 1.00 0.00 C ATOM 487 CG ASN C 32 -12.079 1.695 9.163 1.00 0.00 C ATOM 488 OD1 ASN C 32 -13.216 1.409 8.787 1.00 0.00 O ATOM 489 ND2 ASN C 32 -11.838 2.210 10.358 1.00 0.00 N ATOM 0 H ASN C 32 -9.508 2.275 5.770 1.00 0.00 H new ATOM 0 HA ASN C 32 -11.901 0.772 6.512 1.00 0.00 H new ATOM 0 HB2 ASN C 32 -10.450 0.487 8.475 1.00 0.00 H new ATOM 0 HB3 ASN C 32 -10.104 2.205 8.512 1.00 0.00 H new ATOM 0 HD21 ASN C 32 -12.608 2.383 11.004 1.00 0.00 H new ATOM 0 HD22 ASN C 32 -10.882 2.434 10.633 1.00 0.00 H new ATOM 496 N GLY C 33 -12.794 2.888 5.518 1.00 0.00 N ATOM 497 CA GLY C 33 -13.600 4.058 5.198 1.00 0.00 C ATOM 498 C GLY C 33 -12.778 5.293 4.857 1.00 0.00 C ATOM 499 O GLY C 33 -12.317 5.444 3.728 1.00 0.00 O ATOM 0 H GLY C 33 -12.994 2.071 4.941 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -14.250 3.821 4.356 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -14.247 4.286 6.045 1.00 0.00 H new ATOM 503 N ASN C 34 -12.585 6.173 5.832 1.00 0.00 N ATOM 504 CA ASN C 34 -11.871 7.422 5.606 1.00 0.00 C ATOM 505 C ASN C 34 -10.447 7.309 6.139 1.00 0.00 C ATOM 506 O ASN C 34 -9.875 8.273 6.649 1.00 0.00 O ATOM 507 CB ASN C 34 -12.605 8.598 6.267 1.00 0.00 C ATOM 508 CG ASN C 34 -12.243 9.953 5.663 1.00 0.00 C ATOM 509 OD1 ASN C 34 -13.076 10.861 5.620 1.00 0.00 O ATOM 510 ND2 ASN C 34 -11.007 10.115 5.205 1.00 0.00 N ATOM 0 H ASN C 34 -12.914 6.044 6.789 1.00 0.00 H new ATOM 0 HA ASN C 34 -11.832 7.612 4.533 1.00 0.00 H new ATOM 0 HB2 ASN C 34 -13.680 8.443 6.176 1.00 0.00 H new ATOM 0 HB3 ASN C 34 -12.373 8.609 7.332 1.00 0.00 H new ATOM 0 HD21 ASN C 34 -10.725 11.009 4.804 1.00 0.00 H new ATOM 0 HD22 ASN C 34 -10.340 9.345 5.254 1.00 0.00 H new ATOM 517 N GLN C 35 -9.878 6.125 6.055 1.00 0.00 N ATOM 518 CA GLN C 35 -8.519 5.932 6.512 1.00 0.00 C ATOM 519 C GLN C 35 -7.785 4.841 5.747 1.00 0.00 C ATOM 520 O GLN C 35 -8.328 3.770 5.471 1.00 0.00 O ATOM 521 CB GLN C 35 -8.481 5.603 7.999 1.00 0.00 C ATOM 522 CG GLN C 35 -7.067 5.381 8.504 1.00 0.00 C ATOM 523 CD GLN C 35 -7.026 4.956 9.955 1.00 0.00 C ATOM 524 OE1 GLN C 35 -6.939 5.788 10.857 1.00 0.00 O ATOM 525 NE2 GLN C 35 -7.093 3.658 10.190 1.00 0.00 N ATOM 0 H GLN C 35 -10.329 5.291 5.679 1.00 0.00 H new ATOM 0 HA GLN C 35 -8.009 6.877 6.326 1.00 0.00 H new ATOM 0 HB2 GLN C 35 -8.942 6.416 8.561 1.00 0.00 H new ATOM 0 HB3 GLN C 35 -9.076 4.709 8.186 1.00 0.00 H new ATOM 0 HG2 GLN C 35 -6.583 4.620 7.893 1.00 0.00 H new ATOM 0 HG3 GLN C 35 -6.494 6.300 8.382 1.00 0.00 H new ATOM 0 HE21 GLN C 35 -7.164 3.002 9.412 1.00 0.00 H new ATOM 0 HE22 GLN C 35 -7.073 3.312 11.149 1.00 0.00 H new ATOM 534 N LEU C 36 -6.544 5.152 5.414 1.00 0.00 N ATOM 535 CA LEU C 36 -5.575 4.179 4.952 1.00 0.00 C ATOM 536 C LEU C 36 -4.421 4.221 5.941 1.00 0.00 C ATOM 537 O LEU C 36 -3.919 5.300 6.257 1.00 0.00 O ATOM 538 CB LEU C 36 -5.105 4.540 3.529 1.00 0.00 C ATOM 539 CG LEU C 36 -4.374 3.444 2.726 1.00 0.00 C ATOM 540 CD1 LEU C 36 -3.011 3.119 3.317 1.00 0.00 C ATOM 541 CD2 LEU C 36 -5.221 2.189 2.635 1.00 0.00 C ATOM 0 H LEU C 36 -6.178 6.103 5.458 1.00 0.00 H new ATOM 0 HA LEU C 36 -5.999 3.176 4.902 1.00 0.00 H new ATOM 0 HB2 LEU C 36 -5.977 4.854 2.955 1.00 0.00 H new ATOM 0 HB3 LEU C 36 -4.443 5.403 3.601 1.00 0.00 H new ATOM 0 HG LEU C 36 -4.213 3.835 1.721 1.00 0.00 H new ATOM 0 HD11 LEU C 36 -2.532 2.343 2.721 1.00 0.00 H new ATOM 0 HD12 LEU C 36 -2.390 4.015 3.314 1.00 0.00 H new ATOM 0 HD13 LEU C 36 -3.133 2.766 4.341 1.00 0.00 H new ATOM 0 HD21 LEU C 36 -4.686 1.430 2.065 1.00 0.00 H new ATOM 0 HD22 LEU C 36 -5.424 1.814 3.638 1.00 0.00 H new ATOM 0 HD23 LEU C 36 -6.162 2.421 2.137 1.00 0.00 H new ATOM 553 N LYS C 37 -4.048 3.072 6.468 1.00 0.00 N ATOM 554 CA LYS C 37 -2.974 2.989 7.443 1.00 0.00 C ATOM 555 C LYS C 37 -2.221 1.693 7.212 1.00 0.00 C ATOM 556 O LYS C 37 -2.812 0.681 6.826 1.00 0.00 O ATOM 557 CB LYS C 37 -3.525 3.027 8.871 1.00 0.00 C ATOM 558 CG LYS C 37 -4.373 1.822 9.233 1.00 0.00 C ATOM 559 CD LYS C 37 -4.483 1.665 10.738 1.00 0.00 C ATOM 560 CE LYS C 37 -5.248 0.411 11.116 1.00 0.00 C ATOM 561 NZ LYS C 37 -5.261 0.197 12.584 1.00 0.00 N1+ ATOM 0 H LYS C 37 -4.475 2.175 6.236 1.00 0.00 H new ATOM 0 HA LYS C 37 -2.308 3.843 7.322 1.00 0.00 H new ATOM 0 HB2 LYS C 37 -2.692 3.096 9.570 1.00 0.00 H new ATOM 0 HB3 LYS C 37 -4.122 3.930 8.996 1.00 0.00 H new ATOM 0 HG2 LYS C 37 -5.368 1.931 8.802 1.00 0.00 H new ATOM 0 HG3 LYS C 37 -3.935 0.922 8.801 1.00 0.00 H new ATOM 0 HD2 LYS C 37 -3.485 1.628 11.174 1.00 0.00 H new ATOM 0 HD3 LYS C 37 -4.983 2.537 11.159 1.00 0.00 H new ATOM 0 HE2 LYS C 37 -6.272 0.485 10.750 1.00 0.00 H new ATOM 0 HE3 LYS C 37 -4.797 -0.452 10.627 1.00 0.00 H new ATOM 0 HZ1 LYS C 37 -5.793 -0.669 12.804 1.00 0.00 H new ATOM 0 HZ2 LYS C 37 -4.285 0.101 12.929 1.00 0.00 H new ATOM 0 HZ3 LYS C 37 -5.714 1.009 13.049 1.00 0.00 H new ATOM 575 N ALA C 38 -0.927 1.725 7.418 1.00 0.00 N ATOM 576 CA ALA C 38 -0.100 0.571 7.156 1.00 0.00 C ATOM 577 C ALA C 38 1.130 0.579 8.044 1.00 0.00 C ATOM 578 O ALA C 38 1.695 1.638 8.325 1.00 0.00 O ATOM 579 CB ALA C 38 0.290 0.544 5.689 1.00 0.00 C ATOM 0 H ALA C 38 -0.422 2.540 7.767 1.00 0.00 H new ATOM 0 HA ALA C 38 -0.667 -0.331 7.385 1.00 0.00 H new ATOM 0 HB1 ALA C 38 0.914 -0.328 5.494 1.00 0.00 H new ATOM 0 HB2 ALA C 38 -0.609 0.491 5.074 1.00 0.00 H new ATOM 0 HB3 ALA C 38 0.845 1.449 5.443 1.00 0.00 H new ATOM 585 N THR C 39 1.532 -0.592 8.500 1.00 0.00 N ATOM 586 CA THR C 39 2.760 -0.717 9.254 1.00 0.00 C ATOM 587 C THR C 39 3.869 -1.204 8.342 1.00 0.00 C ATOM 588 O THR C 39 3.653 -2.076 7.496 1.00 0.00 O ATOM 589 CB THR C 39 2.615 -1.691 10.441 1.00 0.00 C ATOM 590 OG1 THR C 39 2.312 -3.002 9.956 1.00 0.00 O ATOM 591 CG2 THR C 39 1.524 -1.235 11.398 1.00 0.00 C ATOM 0 H THR C 39 1.026 -1.467 8.361 1.00 0.00 H new ATOM 0 HA THR C 39 3.000 0.267 9.655 1.00 0.00 H new ATOM 0 HB THR C 39 3.560 -1.708 10.984 1.00 0.00 H new ATOM 0 HG1 THR C 39 2.222 -3.618 10.713 1.00 0.00 H new ATOM 0 HG21 THR C 39 1.446 -1.942 12.224 1.00 0.00 H new ATOM 0 HG22 THR C 39 1.771 -0.247 11.788 1.00 0.00 H new ATOM 0 HG23 THR C 39 0.572 -1.188 10.869 1.00 0.00 H new ATOM 599 N SER C 40 5.039 -0.633 8.505 1.00 0.00 N ATOM 600 CA SER C 40 6.190 -1.014 7.719 1.00 0.00 C ATOM 601 C SER C 40 7.270 -1.560 8.632 1.00 0.00 C ATOM 602 O SER C 40 7.776 -0.857 9.507 1.00 0.00 O ATOM 603 CB SER C 40 6.687 0.188 6.922 1.00 0.00 C ATOM 604 OG SER C 40 6.857 1.322 7.758 1.00 0.00 O ATOM 0 H SER C 40 5.220 0.106 9.184 1.00 0.00 H new ATOM 0 HA SER C 40 5.916 -1.797 7.012 1.00 0.00 H new ATOM 0 HB2 SER C 40 7.634 -0.058 6.441 1.00 0.00 H new ATOM 0 HB3 SER C 40 5.977 0.421 6.129 1.00 0.00 H new ATOM 0 HG SER C 40 7.105 1.029 8.660 1.00 0.00 H new ATOM 610 N SER C 41 7.615 -2.815 8.432 1.00 0.00 N ATOM 611 CA SER C 41 8.560 -3.474 9.304 1.00 0.00 C ATOM 612 C SER C 41 9.914 -3.619 8.628 1.00 0.00 C ATOM 613 O SER C 41 10.071 -3.248 7.458 1.00 0.00 O ATOM 614 CB SER C 41 8.017 -4.834 9.731 1.00 0.00 C ATOM 615 OG SER C 41 6.716 -4.713 10.285 1.00 0.00 O ATOM 0 H SER C 41 7.255 -3.396 7.675 1.00 0.00 H new ATOM 0 HA SER C 41 8.698 -2.859 10.193 1.00 0.00 H new ATOM 0 HB2 SER C 41 7.989 -5.504 8.872 1.00 0.00 H new ATOM 0 HB3 SER C 41 8.687 -5.283 10.464 1.00 0.00 H new ATOM 0 HG SER C 41 6.389 -5.598 10.549 1.00 0.00 H new ATOM 621 N ASN C 42 10.866 -4.184 9.372 1.00 0.00 N ATOM 622 CA ASN C 42 12.276 -4.188 8.996 1.00 0.00 C ATOM 623 C ASN C 42 12.826 -2.777 9.117 1.00 0.00 C ATOM 624 O ASN C 42 13.604 -2.315 8.283 1.00 0.00 O ATOM 625 CB ASN C 42 12.504 -4.755 7.590 1.00 0.00 C ATOM 626 CG ASN C 42 13.640 -5.760 7.553 1.00 0.00 C ATOM 627 OD1 ASN C 42 14.787 -5.408 7.283 1.00 0.00 O ATOM 628 ND2 ASN C 42 13.336 -7.015 7.846 1.00 0.00 N ATOM 0 H ASN C 42 10.677 -4.654 10.257 1.00 0.00 H new ATOM 0 HA ASN C 42 12.812 -4.849 9.678 1.00 0.00 H new ATOM 0 HB2 ASN C 42 11.588 -5.232 7.240 1.00 0.00 H new ATOM 0 HB3 ASN C 42 12.722 -3.938 6.902 1.00 0.00 H new ATOM 0 HD21 ASN C 42 14.065 -7.728 7.853 1.00 0.00 H new ATOM 0 HD22 ASN C 42 12.373 -7.269 8.065 1.00 0.00 H new ATOM 635 N ALA C 43 12.369 -2.099 10.173 1.00 0.00 N ATOM 636 CA ALA C 43 12.792 -0.742 10.503 1.00 0.00 C ATOM 637 C ALA C 43 12.423 0.247 9.404 1.00 0.00 C ATOM 638 O ALA C 43 13.084 1.270 9.222 1.00 0.00 O ATOM 639 CB ALA C 43 14.281 -0.702 10.799 1.00 0.00 C ATOM 0 H ALA C 43 11.688 -2.484 10.828 1.00 0.00 H new ATOM 0 HA ALA C 43 12.256 -0.438 11.402 1.00 0.00 H new ATOM 0 HB1 ALA C 43 14.576 0.319 11.043 1.00 0.00 H new ATOM 0 HB2 ALA C 43 14.502 -1.355 11.643 1.00 0.00 H new ATOM 0 HB3 ALA C 43 14.835 -1.041 9.924 1.00 0.00 H new ATOM 645 N GLY C 44 11.363 -0.067 8.672 1.00 0.00 N ATOM 646 CA GLY C 44 10.854 0.845 7.669 1.00 0.00 C ATOM 647 C GLY C 44 11.706 0.904 6.417 1.00 0.00 C ATOM 648 O GLY C 44 11.518 1.789 5.588 1.00 0.00 O ATOM 0 H GLY C 44 10.845 -0.942 8.756 1.00 0.00 H new ATOM 0 HA2 GLY C 44 9.842 0.545 7.396 1.00 0.00 H new ATOM 0 HA3 GLY C 44 10.785 1.844 8.099 1.00 0.00 H new ATOM 652 N TYR C 45 12.643 -0.028 6.274 1.00 0.00 N ATOM 653 CA TYR C 45 13.480 -0.076 5.078 1.00 0.00 C ATOM 654 C TYR C 45 12.698 -0.618 3.895 1.00 0.00 C ATOM 655 O TYR C 45 11.546 -1.022 4.041 1.00 0.00 O ATOM 656 CB TYR C 45 14.727 -0.930 5.305 1.00 0.00 C ATOM 657 CG TYR C 45 15.798 -0.238 6.121 1.00 0.00 C ATOM 658 CD1 TYR C 45 15.941 -0.478 7.482 1.00 0.00 C ATOM 659 CD2 TYR C 45 16.674 0.657 5.519 1.00 0.00 C ATOM 660 CE1 TYR C 45 16.925 0.153 8.217 1.00 0.00 C ATOM 661 CE2 TYR C 45 17.659 1.291 6.249 1.00 0.00 C ATOM 662 CZ TYR C 45 17.779 1.034 7.596 1.00 0.00 C ATOM 663 OH TYR C 45 18.765 1.656 8.325 1.00 0.00 O ATOM 0 H TYR C 45 12.841 -0.754 6.963 1.00 0.00 H new ATOM 0 HA TYR C 45 13.795 0.945 4.861 1.00 0.00 H new ATOM 0 HB2 TYR C 45 14.438 -1.852 5.809 1.00 0.00 H new ATOM 0 HB3 TYR C 45 15.144 -1.212 4.338 1.00 0.00 H new ATOM 0 HD1 TYR C 45 15.272 -1.169 7.973 1.00 0.00 H new ATOM 0 HD2 TYR C 45 16.583 0.860 4.462 1.00 0.00 H new ATOM 0 HE1 TYR C 45 17.023 -0.044 9.274 1.00 0.00 H new ATOM 0 HE2 TYR C 45 18.332 1.985 5.766 1.00 0.00 H new ATOM 0 HH TYR C 45 19.283 2.246 7.738 1.00 0.00 H new ATOM 673 N GLY C 46 13.332 -0.633 2.732 1.00 0.00 N ATOM 674 CA GLY C 46 12.666 -1.078 1.529 1.00 0.00 C ATOM 675 C GLY C 46 13.037 -2.495 1.148 1.00 0.00 C ATOM 676 O GLY C 46 13.414 -3.291 2.007 1.00 0.00 O ATOM 0 H GLY C 46 14.301 -0.343 2.601 1.00 0.00 H new ATOM 0 HA2 GLY C 46 11.587 -1.015 1.671 1.00 0.00 H new ATOM 0 HA3 GLY C 46 12.920 -0.407 0.708 1.00 0.00 H new ATOM 680 N ILE C 47 12.913 -2.807 -0.144 1.00 0.00 N ATOM 681 CA ILE C 47 13.330 -4.102 -0.679 1.00 0.00 C ATOM 682 C ILE C 47 14.753 -4.397 -0.260 1.00 0.00 C ATOM 683 O ILE C 47 15.018 -5.319 0.510 1.00 0.00 O ATOM 684 CB ILE C 47 13.350 -4.121 -2.218 1.00 0.00 C ATOM 685 CG1 ILE C 47 12.020 -3.696 -2.829 1.00 0.00 C ATOM 686 CG2 ILE C 47 13.740 -5.507 -2.717 1.00 0.00 C ATOM 687 CD1 ILE C 47 10.925 -4.726 -2.701 1.00 0.00 C ATOM 0 H ILE C 47 12.524 -2.174 -0.843 1.00 0.00 H new ATOM 0 HA ILE C 47 12.614 -4.829 -0.297 1.00 0.00 H new ATOM 0 HB ILE C 47 14.093 -3.391 -2.538 1.00 0.00 H new ATOM 0 HG12 ILE C 47 11.692 -2.772 -2.352 1.00 0.00 H new ATOM 0 HG13 ILE C 47 12.172 -3.473 -3.885 1.00 0.00 H new ATOM 0 HG21 ILE C 47 13.752 -5.511 -3.807 1.00 0.00 H new ATOM 0 HG22 ILE C 47 14.731 -5.763 -2.343 1.00 0.00 H new ATOM 0 HG23 ILE C 47 13.017 -6.239 -2.359 1.00 0.00 H new ATOM 0 HD11 ILE C 47 10.013 -4.346 -3.161 1.00 0.00 H new ATOM 0 HD12 ILE C 47 11.229 -5.644 -3.203 1.00 0.00 H new ATOM 0 HD13 ILE C 47 10.741 -4.933 -1.647 1.00 0.00 H new ATOM 699 N SER C 48 15.650 -3.585 -0.806 1.00 0.00 N ATOM 700 CA SER C 48 17.068 -3.699 -0.567 1.00 0.00 C ATOM 701 C SER C 48 17.815 -2.724 -1.478 1.00 0.00 C ATOM 702 O SER C 48 18.393 -1.743 -1.006 1.00 0.00 O ATOM 703 CB SER C 48 17.547 -5.137 -0.792 1.00 0.00 C ATOM 704 OG SER C 48 18.880 -5.318 -0.345 1.00 0.00 O ATOM 0 H SER C 48 15.401 -2.821 -1.434 1.00 0.00 H new ATOM 0 HA SER C 48 17.276 -3.445 0.472 1.00 0.00 H new ATOM 0 HB2 SER C 48 16.889 -5.827 -0.265 1.00 0.00 H new ATOM 0 HB3 SER C 48 17.482 -5.381 -1.852 1.00 0.00 H new ATOM 0 HG SER C 48 19.497 -5.195 -1.097 1.00 0.00 H new ATOM 710 N TYR C 49 17.787 -2.978 -2.787 1.00 0.00 N ATOM 711 CA TYR C 49 18.403 -2.058 -3.743 1.00 0.00 C ATOM 712 C TYR C 49 17.683 -2.021 -5.098 1.00 0.00 C ATOM 713 O TYR C 49 17.801 -1.035 -5.825 1.00 0.00 O ATOM 714 CB TYR C 49 19.894 -2.381 -3.938 1.00 0.00 C ATOM 715 CG TYR C 49 20.189 -3.820 -4.361 1.00 0.00 C ATOM 716 CD1 TYR C 49 20.640 -4.759 -3.434 1.00 0.00 C ATOM 717 CD2 TYR C 49 20.028 -4.243 -5.685 1.00 0.00 C ATOM 718 CE1 TYR C 49 20.921 -6.058 -3.810 1.00 0.00 C ATOM 719 CE2 TYR C 49 20.306 -5.544 -6.059 1.00 0.00 C ATOM 720 CZ TYR C 49 20.752 -6.445 -5.119 1.00 0.00 C ATOM 721 OH TYR C 49 21.036 -7.741 -5.489 1.00 0.00 O ATOM 0 H TYR C 49 17.351 -3.800 -3.205 1.00 0.00 H new ATOM 0 HA TYR C 49 18.306 -1.063 -3.308 1.00 0.00 H new ATOM 0 HB2 TYR C 49 20.302 -1.705 -4.690 1.00 0.00 H new ATOM 0 HB3 TYR C 49 20.420 -2.176 -3.006 1.00 0.00 H new ATOM 0 HD1 TYR C 49 20.772 -4.465 -2.403 1.00 0.00 H new ATOM 0 HD2 TYR C 49 19.680 -3.540 -6.428 1.00 0.00 H new ATOM 0 HE1 TYR C 49 21.273 -6.769 -3.077 1.00 0.00 H new ATOM 0 HE2 TYR C 49 20.174 -5.853 -7.085 1.00 0.00 H new ATOM 0 HH TYR C 49 20.863 -7.853 -6.447 1.00 0.00 H new ATOM 731 N GLU C 50 16.939 -3.075 -5.436 1.00 0.00 N ATOM 732 CA GLU C 50 16.274 -3.157 -6.739 1.00 0.00 C ATOM 733 C GLU C 50 15.138 -2.148 -6.874 1.00 0.00 C ATOM 734 O GLU C 50 14.437 -1.834 -5.911 1.00 0.00 O ATOM 735 CB GLU C 50 15.763 -4.580 -6.993 1.00 0.00 C ATOM 736 CG GLU C 50 14.937 -5.153 -5.855 1.00 0.00 C ATOM 737 CD GLU C 50 14.798 -6.660 -5.941 1.00 0.00 C ATOM 738 OE1 GLU C 50 13.686 -7.150 -6.230 1.00 0.00 O ATOM 739 OE2 GLU C 50 15.806 -7.363 -5.720 1.00 0.00 O1- ATOM 0 H GLU C 50 16.782 -3.880 -4.830 1.00 0.00 H new ATOM 0 HA GLU C 50 17.017 -2.906 -7.496 1.00 0.00 H new ATOM 0 HB2 GLU C 50 15.161 -4.582 -7.902 1.00 0.00 H new ATOM 0 HB3 GLU C 50 16.616 -5.234 -7.174 1.00 0.00 H new ATOM 0 HG2 GLU C 50 15.400 -4.888 -4.905 1.00 0.00 H new ATOM 0 HG3 GLU C 50 13.946 -4.699 -5.865 1.00 0.00 H new ATOM 746 N ASP C 51 14.976 -1.654 -8.095 1.00 0.00 N ATOM 747 CA ASP C 51 14.019 -0.600 -8.407 1.00 0.00 C ATOM 748 C ASP C 51 12.651 -1.192 -8.730 1.00 0.00 C ATOM 749 O ASP C 51 12.521 -2.002 -9.647 1.00 0.00 O ATOM 750 CB ASP C 51 14.535 0.199 -9.610 1.00 0.00 C ATOM 751 CG ASP C 51 13.633 1.351 -10.007 1.00 0.00 C ATOM 752 OD1 ASP C 51 14.012 2.514 -9.756 1.00 0.00 O ATOM 753 OD2 ASP C 51 12.553 1.107 -10.588 1.00 0.00 O1- ATOM 0 H ASP C 51 15.509 -1.976 -8.903 1.00 0.00 H new ATOM 0 HA ASP C 51 13.913 0.054 -7.541 1.00 0.00 H new ATOM 0 HB2 ASP C 51 15.526 0.588 -9.378 1.00 0.00 H new ATOM 0 HB3 ASP C 51 14.647 -0.473 -10.461 1.00 0.00 H new ATOM 758 N LYS C 52 11.638 -0.804 -7.967 1.00 0.00 N ATOM 759 CA LYS C 52 10.278 -1.264 -8.219 1.00 0.00 C ATOM 760 C LYS C 52 9.330 -0.089 -8.384 1.00 0.00 C ATOM 761 O LYS C 52 9.363 0.860 -7.605 1.00 0.00 O ATOM 762 CB LYS C 52 9.785 -2.180 -7.097 1.00 0.00 C ATOM 763 CG LYS C 52 10.101 -3.647 -7.335 1.00 0.00 C ATOM 764 CD LYS C 52 11.588 -3.930 -7.249 1.00 0.00 C ATOM 765 CE LYS C 52 11.936 -5.242 -7.924 1.00 0.00 C ATOM 766 NZ LYS C 52 11.644 -5.211 -9.381 1.00 0.00 N1+ ATOM 0 H LYS C 52 11.731 -0.174 -7.171 1.00 0.00 H new ATOM 0 HA LYS C 52 10.294 -1.835 -9.147 1.00 0.00 H new ATOM 0 HB2 LYS C 52 10.237 -1.866 -6.156 1.00 0.00 H new ATOM 0 HB3 LYS C 52 8.707 -2.061 -6.988 1.00 0.00 H new ATOM 0 HG2 LYS C 52 9.573 -4.255 -6.600 1.00 0.00 H new ATOM 0 HG3 LYS C 52 9.732 -3.942 -8.317 1.00 0.00 H new ATOM 0 HD2 LYS C 52 12.143 -3.118 -7.718 1.00 0.00 H new ATOM 0 HD3 LYS C 52 11.895 -3.963 -6.204 1.00 0.00 H new ATOM 0 HE2 LYS C 52 12.993 -5.460 -7.770 1.00 0.00 H new ATOM 0 HE3 LYS C 52 11.373 -6.050 -7.458 1.00 0.00 H new ATOM 0 HZ1 LYS C 52 12.272 -5.876 -9.875 1.00 0.00 H new ATOM 0 HZ2 LYS C 52 10.654 -5.485 -9.543 1.00 0.00 H new ATOM 0 HZ3 LYS C 52 11.801 -4.250 -9.746 1.00 0.00 H new ATOM 780 N ASN C 53 8.489 -0.162 -9.403 1.00 0.00 N ATOM 781 CA ASN C 53 7.555 0.919 -9.708 1.00 0.00 C ATOM 782 C ASN C 53 6.182 0.639 -9.116 1.00 0.00 C ATOM 783 O ASN C 53 5.430 -0.199 -9.606 1.00 0.00 O ATOM 784 CB ASN C 53 7.459 1.162 -11.220 1.00 0.00 C ATOM 785 CG ASN C 53 7.487 -0.114 -12.038 1.00 0.00 C ATOM 786 OD1 ASN C 53 8.546 -0.547 -12.489 1.00 0.00 O ATOM 787 ND2 ASN C 53 6.335 -0.728 -12.235 1.00 0.00 N ATOM 0 H ASN C 53 8.431 -0.959 -10.037 1.00 0.00 H new ATOM 0 HA ASN C 53 7.942 1.828 -9.248 1.00 0.00 H new ATOM 0 HB2 ASN C 53 6.538 1.703 -11.436 1.00 0.00 H new ATOM 0 HB3 ASN C 53 8.285 1.802 -11.531 1.00 0.00 H new ATOM 0 HD21 ASN C 53 6.303 -1.592 -12.777 1.00 0.00 H new ATOM 0 HD22 ASN C 53 5.476 -0.339 -11.845 1.00 0.00 H new ATOM 794 N TRP C 54 5.873 1.357 -8.055 1.00 0.00 N ATOM 795 CA TRP C 54 4.665 1.139 -7.278 1.00 0.00 C ATOM 796 C TRP C 54 3.641 2.250 -7.464 1.00 0.00 C ATOM 797 O TRP C 54 3.970 3.303 -7.994 1.00 0.00 O ATOM 798 CB TRP C 54 5.047 1.100 -5.827 1.00 0.00 C ATOM 799 CG TRP C 54 4.648 -0.148 -5.155 1.00 0.00 C ATOM 800 CD1 TRP C 54 5.358 -1.289 -5.043 1.00 0.00 C ATOM 801 CD2 TRP C 54 3.423 -0.361 -4.507 1.00 0.00 C ATOM 802 NE1 TRP C 54 4.645 -2.209 -4.309 1.00 0.00 N ATOM 803 CE2 TRP C 54 3.438 -1.653 -3.968 1.00 0.00 C ATOM 804 CE3 TRP C 54 2.320 0.442 -4.325 1.00 0.00 C ATOM 805 CZ2 TRP C 54 2.361 -2.156 -3.244 1.00 0.00 C ATOM 806 CZ3 TRP C 54 1.264 -0.041 -3.623 1.00 0.00 C ATOM 807 CH2 TRP C 54 1.286 -1.337 -3.080 1.00 0.00 C ATOM 0 H TRP C 54 6.457 2.115 -7.703 1.00 0.00 H new ATOM 0 HA TRP C 54 4.213 0.206 -7.616 1.00 0.00 H new ATOM 0 HB2 TRP C 54 6.126 1.223 -5.739 1.00 0.00 H new ATOM 0 HB3 TRP C 54 4.587 1.944 -5.314 1.00 0.00 H new ATOM 0 HD1 TRP C 54 6.338 -1.456 -5.465 1.00 0.00 H new ATOM 0 HE1 TRP C 54 4.961 -3.146 -4.060 1.00 0.00 H new ATOM 0 HE3 TRP C 54 2.295 1.441 -4.735 1.00 0.00 H new ATOM 0 HZ2 TRP C 54 2.377 -3.153 -2.830 1.00 0.00 H new ATOM 0 HZ3 TRP C 54 0.393 0.581 -3.479 1.00 0.00 H new ATOM 0 HH2 TRP C 54 0.432 -1.691 -2.521 1.00 0.00 H new ATOM 818 N GLY C 55 2.398 2.028 -7.006 1.00 0.00 N ATOM 819 CA GLY C 55 1.430 3.103 -7.036 1.00 0.00 C ATOM 820 C GLY C 55 0.135 2.840 -6.292 1.00 0.00 C ATOM 821 O GLY C 55 -0.171 1.713 -5.909 1.00 0.00 O ATOM 0 H GLY C 55 2.061 1.143 -6.626 1.00 0.00 H new ATOM 0 HA2 GLY C 55 1.893 3.997 -6.618 1.00 0.00 H new ATOM 0 HA3 GLY C 55 1.192 3.324 -8.076 1.00 0.00 H new ATOM 825 N ILE C 56 -0.614 3.915 -6.067 1.00 0.00 N ATOM 826 CA ILE C 56 -1.946 3.827 -5.475 1.00 0.00 C ATOM 827 C ILE C 56 -2.991 4.496 -6.366 1.00 0.00 C ATOM 828 O ILE C 56 -2.823 5.647 -6.777 1.00 0.00 O ATOM 829 CB ILE C 56 -2.028 4.500 -4.084 1.00 0.00 C ATOM 830 CG1 ILE C 56 -1.105 3.835 -3.075 1.00 0.00 C ATOM 831 CG2 ILE C 56 -3.455 4.445 -3.558 1.00 0.00 C ATOM 832 CD1 ILE C 56 0.367 4.145 -3.246 1.00 0.00 C ATOM 0 H ILE C 56 -0.318 4.866 -6.288 1.00 0.00 H new ATOM 0 HA ILE C 56 -2.146 2.760 -5.372 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.711 5.535 -4.210 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -1.410 4.138 -2.073 1.00 0.00 H new ATOM 0 HG13 ILE C 56 -1.242 2.755 -3.137 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -3.500 4.921 -2.579 1.00 0.00 H new ATOM 0 HG22 ILE C 56 -4.117 4.969 -4.247 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -3.771 3.405 -3.471 1.00 0.00 H new ATOM 0 HD11 ILE C 56 0.940 3.624 -2.479 1.00 0.00 H new ATOM 0 HD12 ILE C 56 0.696 3.815 -4.231 1.00 0.00 H new ATOM 0 HD13 ILE C 56 0.526 5.219 -3.151 1.00 0.00 H new ATOM 844 N PHE C 57 -4.075 3.780 -6.643 1.00 0.00 N ATOM 845 CA PHE C 57 -5.209 4.350 -7.359 1.00 0.00 C ATOM 846 C PHE C 57 -6.458 4.267 -6.486 1.00 0.00 C ATOM 847 O PHE C 57 -6.898 3.180 -6.122 1.00 0.00 O ATOM 848 CB PHE C 57 -5.460 3.620 -8.685 1.00 0.00 C ATOM 849 CG PHE C 57 -4.215 3.338 -9.477 1.00 0.00 C ATOM 850 CD1 PHE C 57 -3.515 2.157 -9.290 1.00 0.00 C ATOM 851 CD2 PHE C 57 -3.748 4.251 -10.406 1.00 0.00 C ATOM 852 CE1 PHE C 57 -2.372 1.891 -10.016 1.00 0.00 C ATOM 853 CE2 PHE C 57 -2.604 3.990 -11.135 1.00 0.00 C ATOM 854 CZ PHE C 57 -1.916 2.808 -10.939 1.00 0.00 C ATOM 0 H PHE C 57 -4.192 2.801 -6.381 1.00 0.00 H new ATOM 0 HA PHE C 57 -4.979 5.391 -7.584 1.00 0.00 H new ATOM 0 HB2 PHE C 57 -5.967 2.677 -8.478 1.00 0.00 H new ATOM 0 HB3 PHE C 57 -6.137 4.219 -9.294 1.00 0.00 H new ATOM 0 HD1 PHE C 57 -3.868 1.436 -8.567 1.00 0.00 H new ATOM 0 HD2 PHE C 57 -4.283 5.176 -10.563 1.00 0.00 H new ATOM 0 HE1 PHE C 57 -1.836 0.966 -9.861 1.00 0.00 H new ATOM 0 HE2 PHE C 57 -2.248 4.709 -11.858 1.00 0.00 H new ATOM 0 HZ PHE C 57 -1.022 2.603 -11.508 1.00 0.00 H new ATOM 864 N VAL C 58 -7.013 5.412 -6.139 1.00 0.00 N ATOM 865 CA VAL C 58 -8.203 5.465 -5.304 1.00 0.00 C ATOM 866 C VAL C 58 -9.371 6.062 -6.082 1.00 0.00 C ATOM 867 O VAL C 58 -9.275 7.174 -6.606 1.00 0.00 O ATOM 868 CB VAL C 58 -7.953 6.271 -4.007 1.00 0.00 C ATOM 869 CG1 VAL C 58 -7.249 7.584 -4.307 1.00 0.00 C ATOM 870 CG2 VAL C 58 -9.257 6.531 -3.273 1.00 0.00 C ATOM 0 H VAL C 58 -6.658 6.325 -6.423 1.00 0.00 H new ATOM 0 HA VAL C 58 -8.452 4.443 -5.017 1.00 0.00 H new ATOM 0 HB VAL C 58 -7.306 5.673 -3.365 1.00 0.00 H new ATOM 0 HG11 VAL C 58 -7.086 8.130 -3.378 1.00 0.00 H new ATOM 0 HG12 VAL C 58 -6.289 7.382 -4.782 1.00 0.00 H new ATOM 0 HG13 VAL C 58 -7.866 8.183 -4.976 1.00 0.00 H new ATOM 0 HG21 VAL C 58 -9.056 7.099 -2.365 1.00 0.00 H new ATOM 0 HG22 VAL C 58 -9.929 7.100 -3.916 1.00 0.00 H new ATOM 0 HG23 VAL C 58 -9.723 5.581 -3.011 1.00 0.00 H new ATOM 880 N ASN C 59 -10.464 5.306 -6.168 1.00 0.00 N ATOM 881 CA ASN C 59 -11.643 5.722 -6.930 1.00 0.00 C ATOM 882 C ASN C 59 -11.284 5.994 -8.389 1.00 0.00 C ATOM 883 O ASN C 59 -11.860 6.875 -9.035 1.00 0.00 O ATOM 884 CB ASN C 59 -12.296 6.963 -6.308 1.00 0.00 C ATOM 885 CG ASN C 59 -13.027 6.659 -5.013 1.00 0.00 C ATOM 886 OD1 ASN C 59 -12.641 5.770 -4.255 1.00 0.00 O ATOM 887 ND2 ASN C 59 -14.094 7.398 -4.752 1.00 0.00 N ATOM 0 H ASN C 59 -10.559 4.396 -5.717 1.00 0.00 H new ATOM 0 HA ASN C 59 -12.360 4.902 -6.895 1.00 0.00 H new ATOM 0 HB2 ASN C 59 -11.529 7.715 -6.119 1.00 0.00 H new ATOM 0 HB3 ASN C 59 -12.997 7.395 -7.022 1.00 0.00 H new ATOM 0 HD21 ASN C 59 -14.628 7.239 -3.897 1.00 0.00 H new ATOM 0 HD22 ASN C 59 -14.382 8.126 -5.406 1.00 0.00 H new ATOM 894 N GLY C 60 -10.321 5.234 -8.895 1.00 0.00 N ATOM 895 CA GLY C 60 -9.892 5.383 -10.272 1.00 0.00 C ATOM 896 C GLY C 60 -8.921 6.535 -10.466 1.00 0.00 C ATOM 897 O GLY C 60 -8.541 6.845 -11.594 1.00 0.00 O ATOM 0 H GLY C 60 -9.826 4.512 -8.371 1.00 0.00 H new ATOM 0 HA2 GLY C 60 -9.421 4.457 -10.603 1.00 0.00 H new ATOM 0 HA3 GLY C 60 -10.766 5.540 -10.905 1.00 0.00 H new ATOM 901 N GLU C 61 -8.522 7.174 -9.373 1.00 0.00 N ATOM 902 CA GLU C 61 -7.608 8.303 -9.443 1.00 0.00 C ATOM 903 C GLU C 61 -6.318 8.001 -8.690 1.00 0.00 C ATOM 904 O GLU C 61 -6.347 7.550 -7.547 1.00 0.00 O ATOM 905 CB GLU C 61 -8.263 9.561 -8.870 1.00 0.00 C ATOM 906 CG GLU C 61 -7.382 10.794 -8.965 1.00 0.00 C ATOM 907 CD GLU C 61 -8.047 12.035 -8.413 1.00 0.00 C ATOM 908 OE1 GLU C 61 -7.505 12.626 -7.457 1.00 0.00 O ATOM 909 OE2 GLU C 61 -9.116 12.426 -8.930 1.00 0.00 O1- ATOM 0 H GLU C 61 -8.818 6.928 -8.428 1.00 0.00 H new ATOM 0 HA GLU C 61 -7.368 8.477 -10.492 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -9.197 9.749 -9.399 1.00 0.00 H new ATOM 0 HB3 GLU C 61 -8.518 9.385 -7.825 1.00 0.00 H new ATOM 0 HG2 GLU C 61 -6.453 10.614 -8.423 1.00 0.00 H new ATOM 0 HG3 GLU C 61 -7.115 10.964 -10.008 1.00 0.00 H new ATOM 916 N LYS C 62 -5.191 8.251 -9.332 1.00 0.00 N ATOM 917 CA LYS C 62 -3.895 8.012 -8.717 1.00 0.00 C ATOM 918 C LYS C 62 -3.589 9.088 -7.681 1.00 0.00 C ATOM 919 O LYS C 62 -3.612 10.284 -7.983 1.00 0.00 O ATOM 920 CB LYS C 62 -2.806 7.981 -9.790 1.00 0.00 C ATOM 921 CG LYS C 62 -1.427 7.628 -9.256 1.00 0.00 C ATOM 922 CD LYS C 62 -0.410 7.524 -10.379 1.00 0.00 C ATOM 923 CE LYS C 62 -0.199 8.858 -11.077 1.00 0.00 C ATOM 924 NZ LYS C 62 0.767 8.747 -12.201 1.00 0.00 N1+ ATOM 0 H LYS C 62 -5.146 8.620 -10.282 1.00 0.00 H new ATOM 0 HA LYS C 62 -3.920 7.047 -8.211 1.00 0.00 H new ATOM 0 HB2 LYS C 62 -3.085 7.257 -10.556 1.00 0.00 H new ATOM 0 HB3 LYS C 62 -2.759 8.956 -10.275 1.00 0.00 H new ATOM 0 HG2 LYS C 62 -1.106 8.386 -8.541 1.00 0.00 H new ATOM 0 HG3 LYS C 62 -1.475 6.682 -8.717 1.00 0.00 H new ATOM 0 HD2 LYS C 62 0.540 7.170 -9.977 1.00 0.00 H new ATOM 0 HD3 LYS C 62 -0.745 6.783 -11.105 1.00 0.00 H new ATOM 0 HE2 LYS C 62 -1.153 9.226 -11.453 1.00 0.00 H new ATOM 0 HE3 LYS C 62 0.164 9.591 -10.357 1.00 0.00 H new ATOM 0 HZ1 LYS C 62 0.884 9.677 -12.651 1.00 0.00 H new ATOM 0 HZ2 LYS C 62 1.685 8.420 -11.839 1.00 0.00 H new ATOM 0 HZ3 LYS C 62 0.409 8.066 -12.901 1.00 0.00 H new ATOM 938 N VAL C 63 -3.327 8.662 -6.454 1.00 0.00 N ATOM 939 CA VAL C 63 -3.019 9.593 -5.375 1.00 0.00 C ATOM 940 C VAL C 63 -1.517 9.663 -5.117 1.00 0.00 C ATOM 941 O VAL C 63 -0.963 10.750 -4.950 1.00 0.00 O ATOM 942 CB VAL C 63 -3.767 9.228 -4.064 1.00 0.00 C ATOM 943 CG1 VAL C 63 -3.643 7.748 -3.760 1.00 0.00 C ATOM 944 CG2 VAL C 63 -3.249 10.043 -2.887 1.00 0.00 C ATOM 0 H VAL C 63 -3.321 7.680 -6.180 1.00 0.00 H new ATOM 0 HA VAL C 63 -3.365 10.575 -5.699 1.00 0.00 H new ATOM 0 HB VAL C 63 -4.820 9.468 -4.215 1.00 0.00 H new ATOM 0 HG11 VAL C 63 -4.176 7.520 -2.837 1.00 0.00 H new ATOM 0 HG12 VAL C 63 -4.073 7.171 -4.579 1.00 0.00 H new ATOM 0 HG13 VAL C 63 -2.591 7.487 -3.645 1.00 0.00 H new ATOM 0 HG21 VAL C 63 -3.793 9.764 -1.984 1.00 0.00 H new ATOM 0 HG22 VAL C 63 -2.186 9.845 -2.747 1.00 0.00 H new ATOM 0 HG23 VAL C 63 -3.397 11.104 -3.086 1.00 0.00 H new ATOM 954 N TYR C 64 -0.853 8.511 -5.096 1.00 0.00 N ATOM 955 CA TYR C 64 0.564 8.471 -4.771 1.00 0.00 C ATOM 956 C TYR C 64 1.273 7.364 -5.553 1.00 0.00 C ATOM 957 O TYR C 64 0.678 6.332 -5.859 1.00 0.00 O ATOM 958 CB TYR C 64 0.726 8.265 -3.262 1.00 0.00 C ATOM 959 CG TYR C 64 2.142 8.410 -2.759 1.00 0.00 C ATOM 960 CD1 TYR C 64 2.892 7.297 -2.420 1.00 0.00 C ATOM 961 CD2 TYR C 64 2.721 9.664 -2.609 1.00 0.00 C ATOM 962 CE1 TYR C 64 4.181 7.423 -1.947 1.00 0.00 C ATOM 963 CE2 TYR C 64 4.013 9.799 -2.139 1.00 0.00 C ATOM 964 CZ TYR C 64 4.740 8.676 -1.809 1.00 0.00 C ATOM 965 OH TYR C 64 6.027 8.802 -1.339 1.00 0.00 O ATOM 0 H TYR C 64 -1.271 7.603 -5.298 1.00 0.00 H new ATOM 0 HA TYR C 64 1.025 9.417 -5.056 1.00 0.00 H new ATOM 0 HB2 TYR C 64 0.093 8.983 -2.740 1.00 0.00 H new ATOM 0 HB3 TYR C 64 0.362 7.271 -3.003 1.00 0.00 H new ATOM 0 HD1 TYR C 64 2.460 6.313 -2.528 1.00 0.00 H new ATOM 0 HD2 TYR C 64 2.153 10.546 -2.864 1.00 0.00 H new ATOM 0 HE1 TYR C 64 4.751 6.544 -1.686 1.00 0.00 H new ATOM 0 HE2 TYR C 64 4.451 10.780 -2.031 1.00 0.00 H new ATOM 0 HH TYR C 64 6.270 9.751 -1.302 1.00 0.00 H new ATOM 975 N THR C 65 2.536 7.604 -5.883 1.00 0.00 N ATOM 976 CA THR C 65 3.359 6.643 -6.612 1.00 0.00 C ATOM 977 C THR C 65 4.755 6.586 -5.969 1.00 0.00 C ATOM 978 O THR C 65 5.240 7.612 -5.484 1.00 0.00 O ATOM 979 CB THR C 65 3.484 7.070 -8.095 1.00 0.00 C ATOM 980 OG1 THR C 65 2.181 7.185 -8.677 1.00 0.00 O ATOM 981 CG2 THR C 65 4.314 6.085 -8.903 1.00 0.00 C ATOM 0 H THR C 65 3.021 8.472 -5.653 1.00 0.00 H new ATOM 0 HA THR C 65 2.893 5.659 -6.568 1.00 0.00 H new ATOM 0 HB THR C 65 3.993 8.034 -8.118 1.00 0.00 H new ATOM 0 HG1 THR C 65 2.019 8.117 -8.934 1.00 0.00 H new ATOM 0 HG21 THR C 65 4.376 6.424 -9.937 1.00 0.00 H new ATOM 0 HG22 THR C 65 5.317 6.023 -8.481 1.00 0.00 H new ATOM 0 HG23 THR C 65 3.845 5.102 -8.871 1.00 0.00 H new ATOM 989 N PHE C 66 5.401 5.412 -5.942 1.00 0.00 N ATOM 990 CA PHE C 66 6.709 5.299 -5.283 1.00 0.00 C ATOM 991 C PHE C 66 7.511 4.075 -5.734 1.00 0.00 C ATOM 992 O PHE C 66 7.149 3.387 -6.688 1.00 0.00 O ATOM 993 CB PHE C 66 6.537 5.262 -3.760 1.00 0.00 C ATOM 994 CG PHE C 66 5.825 4.043 -3.228 1.00 0.00 C ATOM 995 CD1 PHE C 66 4.447 4.031 -3.090 1.00 0.00 C ATOM 996 CD2 PHE C 66 6.542 2.918 -2.842 1.00 0.00 C ATOM 997 CE1 PHE C 66 3.801 2.923 -2.579 1.00 0.00 C ATOM 998 CE2 PHE C 66 5.900 1.807 -2.335 1.00 0.00 C ATOM 999 CZ PHE C 66 4.527 1.810 -2.202 1.00 0.00 C ATOM 0 H PHE C 66 5.051 4.548 -6.357 1.00 0.00 H new ATOM 0 HA PHE C 66 7.275 6.182 -5.579 1.00 0.00 H new ATOM 0 HB2 PHE C 66 7.522 5.320 -3.297 1.00 0.00 H new ATOM 0 HB3 PHE C 66 5.986 6.150 -3.450 1.00 0.00 H new ATOM 0 HD1 PHE C 66 3.872 4.897 -3.385 1.00 0.00 H new ATOM 0 HD2 PHE C 66 7.618 2.913 -2.940 1.00 0.00 H new ATOM 0 HE1 PHE C 66 2.726 2.926 -2.474 1.00 0.00 H new ATOM 0 HE2 PHE C 66 6.471 0.938 -2.043 1.00 0.00 H new ATOM 0 HZ PHE C 66 4.020 0.943 -1.804 1.00 0.00 H new ATOM 1009 N ASN C 67 8.611 3.837 -5.025 1.00 0.00 N ATOM 1010 CA ASN C 67 9.526 2.732 -5.296 1.00 0.00 C ATOM 1011 C ASN C 67 9.761 1.943 -4.004 1.00 0.00 C ATOM 1012 O ASN C 67 9.888 2.540 -2.937 1.00 0.00 O ATOM 1013 CB ASN C 67 10.849 3.315 -5.806 1.00 0.00 C ATOM 1014 CG ASN C 67 11.821 2.285 -6.346 1.00 0.00 C ATOM 1015 OD1 ASN C 67 11.833 1.124 -5.938 1.00 0.00 O ATOM 1016 ND2 ASN C 67 12.658 2.718 -7.269 1.00 0.00 N ATOM 0 H ASN C 67 8.896 4.415 -4.234 1.00 0.00 H new ATOM 0 HA ASN C 67 9.106 2.062 -6.046 1.00 0.00 H new ATOM 0 HB2 ASN C 67 10.634 4.040 -6.591 1.00 0.00 H new ATOM 0 HB3 ASN C 67 11.330 3.859 -4.993 1.00 0.00 H new ATOM 0 HD21 ASN C 67 13.347 2.083 -7.671 1.00 0.00 H new ATOM 0 HD22 ASN C 67 12.616 3.688 -7.581 1.00 0.00 H new ATOM 1023 N GLU C 68 9.819 0.613 -4.085 1.00 0.00 N ATOM 1024 CA GLU C 68 9.970 -0.203 -2.874 1.00 0.00 C ATOM 1025 C GLU C 68 11.398 -0.223 -2.346 1.00 0.00 C ATOM 1026 O GLU C 68 11.631 -0.712 -1.249 1.00 0.00 O ATOM 1027 CB GLU C 68 9.514 -1.648 -3.069 1.00 0.00 C ATOM 1028 CG GLU C 68 8.010 -1.830 -3.154 1.00 0.00 C ATOM 1029 CD GLU C 68 7.602 -3.296 -3.153 1.00 0.00 C ATOM 1030 OE1 GLU C 68 6.971 -3.758 -4.132 1.00 0.00 O ATOM 1031 OE2 GLU C 68 7.911 -4.000 -2.168 1.00 0.00 O1- ATOM 0 H GLU C 68 9.765 0.084 -4.956 1.00 0.00 H new ATOM 0 HA GLU C 68 9.323 0.283 -2.144 1.00 0.00 H new ATOM 0 HB2 GLU C 68 9.966 -2.038 -3.981 1.00 0.00 H new ATOM 0 HB3 GLU C 68 9.893 -2.249 -2.243 1.00 0.00 H new ATOM 0 HG2 GLU C 68 7.537 -1.324 -2.312 1.00 0.00 H new ATOM 0 HG3 GLU C 68 7.640 -1.353 -4.062 1.00 0.00 H new ATOM 1038 N LYS C 69 12.362 0.269 -3.111 1.00 0.00 N ATOM 1039 CA LYS C 69 13.723 0.362 -2.590 1.00 0.00 C ATOM 1040 C LYS C 69 13.849 1.614 -1.740 1.00 0.00 C ATOM 1041 O LYS C 69 14.874 1.854 -1.102 1.00 0.00 O ATOM 1042 CB LYS C 69 14.766 0.358 -3.707 1.00 0.00 C ATOM 1043 CG LYS C 69 14.675 1.553 -4.629 1.00 0.00 C ATOM 1044 CD LYS C 69 15.579 1.384 -5.845 1.00 0.00 C ATOM 1045 CE LYS C 69 16.896 2.136 -5.687 1.00 0.00 C ATOM 1046 NZ LYS C 69 17.733 1.596 -4.580 1.00 0.00 N1+ ATOM 0 H LYS C 69 12.237 0.602 -4.067 1.00 0.00 H new ATOM 0 HA LYS C 69 13.916 -0.518 -1.977 1.00 0.00 H new ATOM 0 HB2 LYS C 69 15.761 0.328 -3.263 1.00 0.00 H new ATOM 0 HB3 LYS C 69 14.652 -0.553 -4.295 1.00 0.00 H new ATOM 0 HG2 LYS C 69 13.644 1.685 -4.956 1.00 0.00 H new ATOM 0 HG3 LYS C 69 14.956 2.456 -4.087 1.00 0.00 H new ATOM 0 HD2 LYS C 69 15.783 0.325 -6.001 1.00 0.00 H new ATOM 0 HD3 LYS C 69 15.061 1.743 -6.734 1.00 0.00 H new ATOM 0 HE2 LYS C 69 17.456 2.082 -6.621 1.00 0.00 H new ATOM 0 HE3 LYS C 69 16.689 3.190 -5.500 1.00 0.00 H new ATOM 0 HZ1 LYS C 69 18.663 2.061 -4.590 1.00 0.00 H new ATOM 0 HZ2 LYS C 69 17.264 1.778 -3.670 1.00 0.00 H new ATOM 0 HZ3 LYS C 69 17.857 0.571 -4.707 1.00 0.00 H new ATOM 1060 N SER C 70 12.793 2.414 -1.753 1.00 0.00 N ATOM 1061 CA SER C 70 12.674 3.523 -0.839 1.00 0.00 C ATOM 1062 C SER C 70 12.237 2.969 0.516 1.00 0.00 C ATOM 1063 O SER C 70 11.764 1.835 0.593 1.00 0.00 O ATOM 1064 CB SER C 70 11.649 4.530 -1.363 1.00 0.00 C ATOM 1065 OG SER C 70 11.943 4.903 -2.701 1.00 0.00 O ATOM 0 H SER C 70 12.006 2.309 -2.393 1.00 0.00 H new ATOM 0 HA SER C 70 13.629 4.040 -0.741 1.00 0.00 H new ATOM 0 HB2 SER C 70 10.650 4.097 -1.313 1.00 0.00 H new ATOM 0 HB3 SER C 70 11.645 5.415 -0.727 1.00 0.00 H new ATOM 0 HG SER C 70 11.274 5.546 -3.016 1.00 0.00 H new ATOM 1071 N THR C 71 12.379 3.744 1.578 1.00 0.00 N ATOM 1072 CA THR C 71 12.035 3.259 2.888 1.00 0.00 C ATOM 1073 C THR C 71 10.526 3.209 3.030 1.00 0.00 C ATOM 1074 O THR C 71 9.853 4.244 3.029 1.00 0.00 O ATOM 1075 CB THR C 71 12.649 4.137 3.996 1.00 0.00 C ATOM 1076 OG1 THR C 71 12.343 5.520 3.763 1.00 0.00 O ATOM 1077 CG2 THR C 71 14.158 3.951 4.058 1.00 0.00 C ATOM 0 H THR C 71 12.728 4.702 1.552 1.00 0.00 H new ATOM 0 HA THR C 71 12.446 2.256 3.001 1.00 0.00 H new ATOM 0 HB THR C 71 12.218 3.829 4.949 1.00 0.00 H new ATOM 0 HG1 THR C 71 13.165 6.051 3.821 1.00 0.00 H new ATOM 0 HG21 THR C 71 14.570 4.580 4.847 1.00 0.00 H new ATOM 0 HG22 THR C 71 14.387 2.907 4.270 1.00 0.00 H new ATOM 0 HG23 THR C 71 14.599 4.233 3.102 1.00 0.00 H new ATOM 1085 N VAL C 72 10.002 1.995 3.142 1.00 0.00 N ATOM 1086 CA VAL C 72 8.569 1.767 3.210 1.00 0.00 C ATOM 1087 C VAL C 72 7.950 2.528 4.381 1.00 0.00 C ATOM 1088 O VAL C 72 6.745 2.738 4.420 1.00 0.00 O ATOM 1089 CB VAL C 72 8.248 0.253 3.331 1.00 0.00 C ATOM 1090 CG1 VAL C 72 6.778 -0.031 3.087 1.00 0.00 C ATOM 1091 CG2 VAL C 72 9.094 -0.551 2.361 1.00 0.00 C ATOM 0 H VAL C 72 10.560 1.143 3.188 1.00 0.00 H new ATOM 0 HA VAL C 72 8.134 2.139 2.283 1.00 0.00 H new ATOM 0 HB VAL C 72 8.486 -0.047 4.351 1.00 0.00 H new ATOM 0 HG11 VAL C 72 6.594 -1.101 3.181 1.00 0.00 H new ATOM 0 HG12 VAL C 72 6.177 0.506 3.821 1.00 0.00 H new ATOM 0 HG13 VAL C 72 6.506 0.298 2.084 1.00 0.00 H new ATOM 0 HG21 VAL C 72 8.855 -1.610 2.461 1.00 0.00 H new ATOM 0 HG22 VAL C 72 8.886 -0.226 1.341 1.00 0.00 H new ATOM 0 HG23 VAL C 72 10.150 -0.395 2.583 1.00 0.00 H new ATOM 1101 N GLY C 73 8.785 2.982 5.306 1.00 0.00 N ATOM 1102 CA GLY C 73 8.286 3.705 6.462 1.00 0.00 C ATOM 1103 C GLY C 73 7.980 5.150 6.148 1.00 0.00 C ATOM 1104 O GLY C 73 6.962 5.679 6.597 1.00 0.00 O ATOM 0 H GLY C 73 9.798 2.863 5.278 1.00 0.00 H new ATOM 0 HA2 GLY C 73 7.384 3.217 6.831 1.00 0.00 H new ATOM 0 HA3 GLY C 73 9.024 3.658 7.263 1.00 0.00 H new ATOM 1108 N ASN C 74 8.842 5.795 5.372 1.00 0.00 N ATOM 1109 CA ASN C 74 8.563 7.153 4.928 1.00 0.00 C ATOM 1110 C ASN C 74 7.481 7.110 3.868 1.00 0.00 C ATOM 1111 O ASN C 74 6.647 8.009 3.761 1.00 0.00 O ATOM 1112 CB ASN C 74 9.819 7.834 4.373 1.00 0.00 C ATOM 1113 CG ASN C 74 10.802 8.233 5.457 1.00 0.00 C ATOM 1114 OD1 ASN C 74 10.692 9.311 6.041 1.00 0.00 O ATOM 1115 ND2 ASN C 74 11.789 7.388 5.709 1.00 0.00 N ATOM 0 H ASN C 74 9.726 5.407 5.042 1.00 0.00 H new ATOM 0 HA ASN C 74 8.227 7.738 5.784 1.00 0.00 H new ATOM 0 HB2 ASN C 74 10.312 7.160 3.673 1.00 0.00 H new ATOM 0 HB3 ASN C 74 9.527 8.721 3.810 1.00 0.00 H new ATOM 0 HD21 ASN C 74 12.493 7.621 6.409 1.00 0.00 H new ATOM 0 HD22 ASN C 74 11.845 6.504 5.203 1.00 0.00 H new ATOM 1122 N ILE C 75 7.496 6.036 3.097 1.00 0.00 N ATOM 1123 CA ILE C 75 6.520 5.830 2.047 1.00 0.00 C ATOM 1124 C ILE C 75 5.116 5.643 2.616 1.00 0.00 C ATOM 1125 O ILE C 75 4.218 6.441 2.346 1.00 0.00 O ATOM 1126 CB ILE C 75 6.879 4.596 1.198 1.00 0.00 C ATOM 1127 CG1 ILE C 75 8.196 4.812 0.442 1.00 0.00 C ATOM 1128 CG2 ILE C 75 5.754 4.269 0.237 1.00 0.00 C ATOM 1129 CD1 ILE C 75 8.176 5.991 -0.508 1.00 0.00 C ATOM 0 H ILE C 75 8.183 5.287 3.183 1.00 0.00 H new ATOM 0 HA ILE C 75 6.535 6.723 1.422 1.00 0.00 H new ATOM 0 HB ILE C 75 7.015 3.749 1.870 1.00 0.00 H new ATOM 0 HG12 ILE C 75 8.999 4.955 1.165 1.00 0.00 H new ATOM 0 HG13 ILE C 75 8.432 3.909 -0.121 1.00 0.00 H new ATOM 0 HG21 ILE C 75 6.024 3.395 -0.355 1.00 0.00 H new ATOM 0 HG22 ILE C 75 4.844 4.059 0.800 1.00 0.00 H new ATOM 0 HG23 ILE C 75 5.583 5.117 -0.426 1.00 0.00 H new ATOM 0 HD11 ILE C 75 9.143 6.076 -1.003 1.00 0.00 H new ATOM 0 HD12 ILE C 75 7.397 5.842 -1.256 1.00 0.00 H new ATOM 0 HD13 ILE C 75 7.973 6.905 0.050 1.00 0.00 H new ATOM 1141 N SER C 76 4.941 4.595 3.412 1.00 0.00 N ATOM 1142 CA SER C 76 3.618 4.175 3.838 1.00 0.00 C ATOM 1143 C SER C 76 2.937 5.203 4.705 1.00 0.00 C ATOM 1144 O SER C 76 1.852 5.671 4.386 1.00 0.00 O ATOM 1145 CB SER C 76 3.684 2.846 4.582 1.00 0.00 C ATOM 1146 OG SER C 76 4.549 2.920 5.705 1.00 0.00 O ATOM 0 H SER C 76 5.703 4.021 3.774 1.00 0.00 H new ATOM 0 HA SER C 76 3.025 4.058 2.931 1.00 0.00 H new ATOM 0 HB2 SER C 76 2.684 2.562 4.910 1.00 0.00 H new ATOM 0 HB3 SER C 76 4.031 2.066 3.905 1.00 0.00 H new ATOM 0 HG SER C 76 5.479 2.960 5.399 1.00 0.00 H new ATOM 1152 N ASN C 77 3.570 5.548 5.796 1.00 0.00 N ATOM 1153 CA ASN C 77 2.920 6.391 6.785 1.00 0.00 C ATOM 1154 C ASN C 77 2.673 7.812 6.288 1.00 0.00 C ATOM 1155 O ASN C 77 1.856 8.515 6.868 1.00 0.00 O ATOM 1156 CB ASN C 77 3.658 6.364 8.119 1.00 0.00 C ATOM 1157 CG ASN C 77 3.015 5.388 9.098 1.00 0.00 C ATOM 1158 OD1 ASN C 77 3.705 4.724 9.874 1.00 0.00 O ATOM 1159 ND2 ASN C 77 1.682 5.315 9.092 1.00 0.00 N ATOM 0 H ASN C 77 4.523 5.267 6.027 1.00 0.00 H new ATOM 0 HA ASN C 77 1.932 5.963 6.954 1.00 0.00 H new ATOM 0 HB2 ASN C 77 4.698 6.082 7.954 1.00 0.00 H new ATOM 0 HB3 ASN C 77 3.663 7.364 8.552 1.00 0.00 H new ATOM 0 HD21 ASN C 77 1.202 4.695 9.744 1.00 0.00 H new ATOM 0 HD22 ASN C 77 1.143 5.880 8.435 1.00 0.00 H new ATOM 1166 N ASP C 78 3.340 8.239 5.215 1.00 0.00 N ATOM 1167 CA ASP C 78 2.931 9.476 4.539 1.00 0.00 C ATOM 1168 C ASP C 78 1.551 9.289 3.946 1.00 0.00 C ATOM 1169 O ASP C 78 0.669 10.128 4.116 1.00 0.00 O ATOM 1170 CB ASP C 78 3.886 9.872 3.420 1.00 0.00 C ATOM 1171 CG ASP C 78 5.002 10.786 3.888 1.00 0.00 C ATOM 1172 OD1 ASP C 78 5.563 10.552 4.980 1.00 0.00 O ATOM 1173 OD2 ASP C 78 5.325 11.750 3.160 1.00 0.00 O1- ATOM 0 H ASP C 78 4.143 7.765 4.803 1.00 0.00 H new ATOM 0 HA ASP C 78 2.938 10.269 5.287 1.00 0.00 H new ATOM 0 HB2 ASP C 78 4.320 8.972 2.985 1.00 0.00 H new ATOM 0 HB3 ASP C 78 3.324 10.369 2.629 1.00 0.00 H new ATOM 1178 N ILE C 79 1.378 8.165 3.256 1.00 0.00 N ATOM 1179 CA ILE C 79 0.089 7.772 2.698 1.00 0.00 C ATOM 1180 C ILE C 79 -0.953 7.703 3.804 1.00 0.00 C ATOM 1181 O ILE C 79 -2.138 7.959 3.592 1.00 0.00 O ATOM 1182 CB ILE C 79 0.169 6.379 2.030 1.00 0.00 C ATOM 1183 CG1 ILE C 79 1.271 6.341 0.971 1.00 0.00 C ATOM 1184 CG2 ILE C 79 -1.172 5.995 1.420 1.00 0.00 C ATOM 1185 CD1 ILE C 79 1.546 4.946 0.447 1.00 0.00 C ATOM 0 H ILE C 79 2.129 7.501 3.068 1.00 0.00 H new ATOM 0 HA ILE C 79 -0.187 8.517 1.952 1.00 0.00 H new ATOM 0 HB ILE C 79 0.416 5.651 2.803 1.00 0.00 H new ATOM 0 HG12 ILE C 79 0.989 6.986 0.139 1.00 0.00 H new ATOM 0 HG13 ILE C 79 2.188 6.750 1.395 1.00 0.00 H new ATOM 0 HG21 ILE C 79 -1.092 5.012 0.956 1.00 0.00 H new ATOM 0 HG22 ILE C 79 -1.932 5.967 2.201 1.00 0.00 H new ATOM 0 HG23 ILE C 79 -1.453 6.731 0.666 1.00 0.00 H new ATOM 0 HD11 ILE C 79 2.338 4.988 -0.301 1.00 0.00 H new ATOM 0 HD12 ILE C 79 1.858 4.303 1.270 1.00 0.00 H new ATOM 0 HD13 ILE C 79 0.640 4.542 -0.006 1.00 0.00 H new ATOM 1197 N ASN C 80 -0.495 7.371 4.994 1.00 0.00 N ATOM 1198 CA ASN C 80 -1.394 7.147 6.099 1.00 0.00 C ATOM 1199 C ASN C 80 -1.658 8.431 6.866 1.00 0.00 C ATOM 1200 O ASN C 80 -2.618 8.517 7.623 1.00 0.00 O ATOM 1201 CB ASN C 80 -0.841 6.069 7.032 1.00 0.00 C ATOM 1202 CG ASN C 80 -0.397 4.819 6.290 1.00 0.00 C ATOM 1203 OD1 ASN C 80 -0.962 4.454 5.265 1.00 0.00 O ATOM 1204 ND2 ASN C 80 0.629 4.155 6.803 1.00 0.00 N ATOM 0 H ASN C 80 0.493 7.251 5.217 1.00 0.00 H new ATOM 0 HA ASN C 80 -2.343 6.801 5.691 1.00 0.00 H new ATOM 0 HB2 ASN C 80 0.004 6.475 7.588 1.00 0.00 H new ATOM 0 HB3 ASN C 80 -1.604 5.801 7.762 1.00 0.00 H new ATOM 0 HD21 ASN C 80 0.972 3.312 6.343 1.00 0.00 H new ATOM 0 HD22 ASN C 80 1.076 4.487 7.658 1.00 0.00 H new ATOM 1211 N LYS C 81 -0.805 9.430 6.683 1.00 0.00 N ATOM 1212 CA LYS C 81 -1.100 10.761 7.192 1.00 0.00 C ATOM 1213 C LYS C 81 -2.348 11.260 6.493 1.00 0.00 C ATOM 1214 O LYS C 81 -3.240 11.848 7.098 1.00 0.00 O ATOM 1215 CB LYS C 81 0.056 11.732 6.921 1.00 0.00 C ATOM 1216 CG LYS C 81 1.386 11.311 7.519 1.00 0.00 C ATOM 1217 CD LYS C 81 1.331 11.237 9.034 1.00 0.00 C ATOM 1218 CE LYS C 81 2.652 10.753 9.611 1.00 0.00 C ATOM 1219 NZ LYS C 81 3.798 11.582 9.153 1.00 0.00 N1+ ATOM 0 H LYS C 81 0.085 9.346 6.192 1.00 0.00 H new ATOM 0 HA LYS C 81 -1.245 10.709 8.271 1.00 0.00 H new ATOM 0 HB2 LYS C 81 0.176 11.843 5.843 1.00 0.00 H new ATOM 0 HB3 LYS C 81 -0.211 12.713 7.315 1.00 0.00 H new ATOM 0 HG2 LYS C 81 1.672 10.338 7.119 1.00 0.00 H new ATOM 0 HG3 LYS C 81 2.159 12.019 7.219 1.00 0.00 H new ATOM 0 HD2 LYS C 81 1.093 12.220 9.440 1.00 0.00 H new ATOM 0 HD3 LYS C 81 0.530 10.564 9.339 1.00 0.00 H new ATOM 0 HE2 LYS C 81 2.601 10.774 10.700 1.00 0.00 H new ATOM 0 HE3 LYS C 81 2.816 9.715 9.320 1.00 0.00 H new ATOM 0 HZ1 LYS C 81 4.483 11.686 9.929 1.00 0.00 H new ATOM 0 HZ2 LYS C 81 4.259 11.120 8.344 1.00 0.00 H new ATOM 0 HZ3 LYS C 81 3.455 12.521 8.866 1.00 0.00 H new ATOM 1233 N LEU C 82 -2.407 10.944 5.209 1.00 0.00 N ATOM 1234 CA LEU C 82 -3.482 11.376 4.335 1.00 0.00 C ATOM 1235 C LEU C 82 -4.840 10.926 4.863 1.00 0.00 C ATOM 1236 O LEU C 82 -5.833 11.634 4.691 1.00 0.00 O ATOM 1237 CB LEU C 82 -3.275 10.780 2.938 1.00 0.00 C ATOM 1238 CG LEU C 82 -1.827 10.765 2.430 1.00 0.00 C ATOM 1239 CD1 LEU C 82 -1.773 10.198 1.018 1.00 0.00 C ATOM 1240 CD2 LEU C 82 -1.237 12.166 2.458 1.00 0.00 C ATOM 0 H LEU C 82 -1.702 10.374 4.741 1.00 0.00 H new ATOM 0 HA LEU C 82 -3.466 12.465 4.294 1.00 0.00 H new ATOM 0 HB2 LEU C 82 -3.651 9.757 2.940 1.00 0.00 H new ATOM 0 HB3 LEU C 82 -3.884 11.342 2.229 1.00 0.00 H new ATOM 0 HG LEU C 82 -1.235 10.129 3.088 1.00 0.00 H new ATOM 0 HD11 LEU C 82 -0.741 10.192 0.668 1.00 0.00 H new ATOM 0 HD12 LEU C 82 -2.161 9.180 1.020 1.00 0.00 H new ATOM 0 HD13 LEU C 82 -2.378 10.816 0.354 1.00 0.00 H new ATOM 0 HD21 LEU C 82 -0.210 12.136 2.094 1.00 0.00 H new ATOM 0 HD22 LEU C 82 -1.828 12.823 1.820 1.00 0.00 H new ATOM 0 HD23 LEU C 82 -1.249 12.546 3.480 1.00 0.00 H new ATOM 1252 N ASN C 83 -4.858 9.771 5.538 1.00 0.00 N ATOM 1253 CA ASN C 83 -6.110 9.099 5.909 1.00 0.00 C ATOM 1254 C ASN C 83 -7.116 9.208 4.776 1.00 0.00 C ATOM 1255 O ASN C 83 -8.090 9.962 4.846 1.00 0.00 O ATOM 1256 CB ASN C 83 -6.679 9.649 7.219 1.00 0.00 C ATOM 1257 CG ASN C 83 -5.866 9.231 8.437 1.00 0.00 C ATOM 1258 OD1 ASN C 83 -5.805 9.956 9.430 1.00 0.00 O ATOM 1259 ND2 ASN C 83 -5.235 8.058 8.381 1.00 0.00 N ATOM 0 H ASN C 83 -4.016 9.280 5.840 1.00 0.00 H new ATOM 0 HA ASN C 83 -5.895 8.044 6.078 1.00 0.00 H new ATOM 0 HB2 ASN C 83 -6.713 10.737 7.167 1.00 0.00 H new ATOM 0 HB3 ASN C 83 -7.706 9.303 7.337 1.00 0.00 H new ATOM 0 HD21 ASN C 83 -4.682 7.738 9.176 1.00 0.00 H new ATOM 0 HD22 ASN C 83 -5.306 7.480 7.543 1.00 0.00 H new ATOM 1266 N ILE C 84 -6.841 8.446 3.726 1.00 0.00 N ATOM 1267 CA ILE C 84 -7.565 8.533 2.466 1.00 0.00 C ATOM 1268 C ILE C 84 -9.063 8.380 2.647 1.00 0.00 C ATOM 1269 O ILE C 84 -9.529 7.544 3.412 1.00 0.00 O ATOM 1270 CB ILE C 84 -7.084 7.452 1.481 1.00 0.00 C ATOM 1271 CG1 ILE C 84 -5.563 7.433 1.441 1.00 0.00 C ATOM 1272 CG2 ILE C 84 -7.647 7.698 0.086 1.00 0.00 C ATOM 1273 CD1 ILE C 84 -5.006 6.465 0.421 1.00 0.00 C ATOM 0 H ILE C 84 -6.102 7.743 3.725 1.00 0.00 H new ATOM 0 HA ILE C 84 -7.360 9.527 2.068 1.00 0.00 H new ATOM 0 HB ILE C 84 -7.446 6.483 1.824 1.00 0.00 H new ATOM 0 HG12 ILE C 84 -5.199 8.436 1.217 1.00 0.00 H new ATOM 0 HG13 ILE C 84 -5.183 7.169 2.428 1.00 0.00 H new ATOM 0 HG21 ILE C 84 -7.293 6.921 -0.592 1.00 0.00 H new ATOM 0 HG22 ILE C 84 -8.736 7.677 0.124 1.00 0.00 H new ATOM 0 HG23 ILE C 84 -7.315 8.672 -0.274 1.00 0.00 H new ATOM 0 HD11 ILE C 84 -3.917 6.500 0.443 1.00 0.00 H new ATOM 0 HD12 ILE C 84 -5.342 5.455 0.657 1.00 0.00 H new ATOM 0 HD13 ILE C 84 -5.358 6.741 -0.573 1.00 0.00 H new ATOM 1285 N LYS C 85 -9.801 9.180 1.903 1.00 0.00 N ATOM 1286 CA LYS C 85 -11.257 9.134 1.905 1.00 0.00 C ATOM 1287 C LYS C 85 -11.740 8.067 0.925 1.00 0.00 C ATOM 1288 O LYS C 85 -12.854 8.132 0.406 1.00 0.00 O ATOM 1289 CB LYS C 85 -11.804 10.510 1.518 1.00 0.00 C ATOM 1290 CG LYS C 85 -11.295 10.996 0.158 1.00 0.00 C ATOM 1291 CD LYS C 85 -10.928 12.472 0.186 1.00 0.00 C ATOM 1292 CE LYS C 85 -9.768 12.740 1.137 1.00 0.00 C ATOM 1293 NZ LYS C 85 -9.273 14.137 1.036 1.00 0.00 N1+ ATOM 0 H LYS C 85 -9.410 9.884 1.277 1.00 0.00 H new ATOM 0 HA LYS C 85 -11.619 8.876 2.900 1.00 0.00 H new ATOM 0 HB2 LYS C 85 -12.893 10.469 1.499 1.00 0.00 H new ATOM 0 HB3 LYS C 85 -11.525 11.234 2.284 1.00 0.00 H new ATOM 0 HG2 LYS C 85 -10.423 10.410 -0.134 1.00 0.00 H new ATOM 0 HG3 LYS C 85 -12.061 10.826 -0.599 1.00 0.00 H new ATOM 0 HD2 LYS C 85 -10.660 12.801 -0.818 1.00 0.00 H new ATOM 0 HD3 LYS C 85 -11.794 13.058 0.493 1.00 0.00 H new ATOM 0 HE2 LYS C 85 -10.086 12.542 2.161 1.00 0.00 H new ATOM 0 HE3 LYS C 85 -8.953 12.050 0.917 1.00 0.00 H new ATOM 0 HZ1 LYS C 85 -8.484 14.275 1.700 1.00 0.00 H new ATOM 0 HZ2 LYS C 85 -8.945 14.320 0.066 1.00 0.00 H new ATOM 0 HZ3 LYS C 85 -10.043 14.796 1.271 1.00 0.00 H new ATOM 1307 N GLY C 86 -10.890 7.078 0.701 1.00 0.00 N ATOM 1308 CA GLY C 86 -11.152 6.070 -0.295 1.00 0.00 C ATOM 1309 C GLY C 86 -11.843 4.854 0.277 1.00 0.00 C ATOM 1310 O GLY C 86 -11.347 4.257 1.228 1.00 0.00 O ATOM 0 H GLY C 86 -10.010 6.958 1.202 1.00 0.00 H new ATOM 0 HA2 GLY C 86 -11.770 6.497 -1.085 1.00 0.00 H new ATOM 0 HA3 GLY C 86 -10.212 5.766 -0.755 1.00 0.00 H new ATOM 1314 N PRO C 87 -12.992 4.457 -0.284 1.00 0.00 N ATOM 1315 CA PRO C 87 -13.688 3.245 0.141 1.00 0.00 C ATOM 1316 C PRO C 87 -13.051 2.004 -0.474 1.00 0.00 C ATOM 1317 O PRO C 87 -12.890 0.983 0.189 1.00 0.00 O ATOM 1318 CB PRO C 87 -15.096 3.459 -0.411 1.00 0.00 C ATOM 1319 CG PRO C 87 -14.863 4.230 -1.662 1.00 0.00 C ATOM 1320 CD PRO C 87 -13.726 5.169 -1.351 1.00 0.00 C ATOM 0 HA PRO C 87 -13.660 3.086 1.219 1.00 0.00 H new ATOM 0 HB2 PRO C 87 -15.598 2.512 -0.610 1.00 0.00 H new ATOM 0 HB3 PRO C 87 -15.723 4.010 0.290 1.00 0.00 H new ATOM 0 HG2 PRO C 87 -14.610 3.568 -2.490 1.00 0.00 H new ATOM 0 HG3 PRO C 87 -15.757 4.780 -1.956 1.00 0.00 H new ATOM 0 HD2 PRO C 87 -13.098 5.346 -2.224 1.00 0.00 H new ATOM 0 HD3 PRO C 87 -14.086 6.141 -1.014 1.00 0.00 H new ATOM 1328 N TYR C 88 -12.669 2.109 -1.742 1.00 0.00 N ATOM 1329 CA TYR C 88 -11.961 1.043 -2.412 1.00 0.00 C ATOM 1330 C TYR C 88 -10.683 1.592 -3.028 1.00 0.00 C ATOM 1331 O TYR C 88 -10.714 2.520 -3.839 1.00 0.00 O ATOM 1332 CB TYR C 88 -12.844 0.340 -3.457 1.00 0.00 C ATOM 1333 CG TYR C 88 -13.717 1.257 -4.291 1.00 0.00 C ATOM 1334 CD1 TYR C 88 -15.070 1.404 -4.004 1.00 0.00 C ATOM 1335 CD2 TYR C 88 -13.199 1.960 -5.371 1.00 0.00 C ATOM 1336 CE1 TYR C 88 -15.877 2.225 -4.768 1.00 0.00 C ATOM 1337 CE2 TYR C 88 -13.999 2.784 -6.136 1.00 0.00 C ATOM 1338 CZ TYR C 88 -15.336 2.912 -5.832 1.00 0.00 C ATOM 1339 OH TYR C 88 -16.137 3.732 -6.601 1.00 0.00 O ATOM 0 H TYR C 88 -12.843 2.929 -2.323 1.00 0.00 H new ATOM 0 HA TYR C 88 -11.696 0.283 -1.677 1.00 0.00 H new ATOM 0 HB2 TYR C 88 -12.201 -0.230 -4.127 1.00 0.00 H new ATOM 0 HB3 TYR C 88 -13.485 -0.377 -2.944 1.00 0.00 H new ATOM 0 HD1 TYR C 88 -15.497 0.867 -3.170 1.00 0.00 H new ATOM 0 HD2 TYR C 88 -12.152 1.860 -5.616 1.00 0.00 H new ATOM 0 HE1 TYR C 88 -16.926 2.327 -4.532 1.00 0.00 H new ATOM 0 HE2 TYR C 88 -13.578 3.326 -6.970 1.00 0.00 H new ATOM 0 HH TYR C 88 -15.599 4.143 -7.310 1.00 0.00 H new ATOM 1349 N ILE C 89 -9.556 1.044 -2.611 1.00 0.00 N ATOM 1350 CA ILE C 89 -8.264 1.585 -2.992 1.00 0.00 C ATOM 1351 C ILE C 89 -7.377 0.522 -3.616 1.00 0.00 C ATOM 1352 O ILE C 89 -7.217 -0.573 -3.075 1.00 0.00 O ATOM 1353 CB ILE C 89 -7.550 2.201 -1.771 1.00 0.00 C ATOM 1354 CG1 ILE C 89 -8.393 3.342 -1.207 1.00 0.00 C ATOM 1355 CG2 ILE C 89 -6.161 2.697 -2.148 1.00 0.00 C ATOM 1356 CD1 ILE C 89 -7.806 3.982 0.032 1.00 0.00 C ATOM 0 H ILE C 89 -9.509 0.223 -2.007 1.00 0.00 H new ATOM 0 HA ILE C 89 -8.445 2.362 -3.734 1.00 0.00 H new ATOM 0 HB ILE C 89 -7.433 1.432 -1.007 1.00 0.00 H new ATOM 0 HG12 ILE C 89 -8.515 4.105 -1.976 1.00 0.00 H new ATOM 0 HG13 ILE C 89 -9.388 2.964 -0.972 1.00 0.00 H new ATOM 0 HG21 ILE C 89 -5.678 3.127 -1.271 1.00 0.00 H new ATOM 0 HG22 ILE C 89 -5.565 1.863 -2.518 1.00 0.00 H new ATOM 0 HG23 ILE C 89 -6.244 3.457 -2.925 1.00 0.00 H new ATOM 0 HD11 ILE C 89 -8.461 4.783 0.373 1.00 0.00 H new ATOM 0 HD12 ILE C 89 -7.710 3.233 0.818 1.00 0.00 H new ATOM 0 HD13 ILE C 89 -6.823 4.392 -0.201 1.00 0.00 H new ATOM 1368 N GLU C 90 -6.810 0.854 -4.761 1.00 0.00 N ATOM 1369 CA GLU C 90 -5.874 -0.021 -5.433 1.00 0.00 C ATOM 1370 C GLU C 90 -4.462 0.310 -5.009 1.00 0.00 C ATOM 1371 O GLU C 90 -3.853 1.253 -5.514 1.00 0.00 O ATOM 1372 CB GLU C 90 -5.994 0.140 -6.938 1.00 0.00 C ATOM 1373 CG GLU C 90 -7.381 -0.177 -7.469 1.00 0.00 C ATOM 1374 CD GLU C 90 -7.694 -1.664 -7.482 1.00 0.00 C ATOM 1375 OE1 GLU C 90 -8.195 -2.160 -8.513 1.00 0.00 O ATOM 1376 OE2 GLU C 90 -7.430 -2.350 -6.471 1.00 0.00 O1- ATOM 0 H GLU C 90 -6.985 1.733 -5.247 1.00 0.00 H new ATOM 0 HA GLU C 90 -6.105 -1.051 -5.160 1.00 0.00 H new ATOM 0 HB2 GLU C 90 -5.735 1.164 -7.208 1.00 0.00 H new ATOM 0 HB3 GLU C 90 -5.269 -0.512 -7.425 1.00 0.00 H new ATOM 0 HG2 GLU C 90 -8.123 0.338 -6.859 1.00 0.00 H new ATOM 0 HG3 GLU C 90 -7.473 0.216 -8.482 1.00 0.00 H new ATOM 1383 N ILE C 91 -3.951 -0.454 -4.075 1.00 0.00 N ATOM 1384 CA ILE C 91 -2.591 -0.285 -3.632 1.00 0.00 C ATOM 1385 C ILE C 91 -1.752 -1.436 -4.221 1.00 0.00 C ATOM 1386 O ILE C 91 -1.804 -2.579 -3.767 1.00 0.00 O ATOM 1387 CB ILE C 91 -2.547 -0.195 -2.075 1.00 0.00 C ATOM 1388 CG1 ILE C 91 -1.216 0.369 -1.574 1.00 0.00 C ATOM 1389 CG2 ILE C 91 -2.830 -1.537 -1.427 1.00 0.00 C ATOM 1390 CD1 ILE C 91 -1.181 0.609 -0.079 1.00 0.00 C ATOM 0 H ILE C 91 -4.460 -1.203 -3.605 1.00 0.00 H new ATOM 0 HA ILE C 91 -2.160 0.650 -3.989 1.00 0.00 H new ATOM 0 HB ILE C 91 -3.337 0.497 -1.782 1.00 0.00 H new ATOM 0 HG12 ILE C 91 -0.416 -0.321 -1.841 1.00 0.00 H new ATOM 0 HG13 ILE C 91 -1.013 1.308 -2.089 1.00 0.00 H new ATOM 0 HG21 ILE C 91 -2.790 -1.433 -0.343 1.00 0.00 H new ATOM 0 HG22 ILE C 91 -3.821 -1.882 -1.722 1.00 0.00 H new ATOM 0 HG23 ILE C 91 -2.082 -2.262 -1.750 1.00 0.00 H new ATOM 0 HD11 ILE C 91 -0.207 1.009 0.203 1.00 0.00 H new ATOM 0 HD12 ILE C 91 -1.959 1.323 0.193 1.00 0.00 H new ATOM 0 HD13 ILE C 91 -1.352 -0.332 0.445 1.00 0.00 H new ATOM 1402 N LYS C 92 -1.040 -1.137 -5.304 1.00 0.00 N ATOM 1403 CA LYS C 92 -0.350 -2.164 -6.081 1.00 0.00 C ATOM 1404 C LYS C 92 0.677 -1.527 -7.004 1.00 0.00 C ATOM 1405 O LYS C 92 0.578 -0.350 -7.329 1.00 0.00 O ATOM 1406 CB LYS C 92 -1.377 -2.952 -6.903 1.00 0.00 C ATOM 1407 CG LYS C 92 -2.259 -2.070 -7.785 1.00 0.00 C ATOM 1408 CD LYS C 92 -1.724 -1.947 -9.207 1.00 0.00 C ATOM 1409 CE LYS C 92 -1.728 -3.285 -9.935 1.00 0.00 C ATOM 1410 NZ LYS C 92 -1.145 -3.170 -11.296 1.00 0.00 N1+ ATOM 0 H LYS C 92 -0.925 -0.190 -5.665 1.00 0.00 H new ATOM 0 HA LYS C 92 0.169 -2.840 -5.401 1.00 0.00 H new ATOM 0 HB2 LYS C 92 -0.852 -3.671 -7.532 1.00 0.00 H new ATOM 0 HB3 LYS C 92 -2.011 -3.524 -6.225 1.00 0.00 H new ATOM 0 HG2 LYS C 92 -3.267 -2.483 -7.814 1.00 0.00 H new ATOM 0 HG3 LYS C 92 -2.334 -1.077 -7.341 1.00 0.00 H new ATOM 0 HD2 LYS C 92 -2.330 -1.230 -9.762 1.00 0.00 H new ATOM 0 HD3 LYS C 92 -0.708 -1.552 -9.180 1.00 0.00 H new ATOM 0 HE2 LYS C 92 -1.162 -4.016 -9.357 1.00 0.00 H new ATOM 0 HE3 LYS C 92 -2.750 -3.657 -10.007 1.00 0.00 H new ATOM 0 HZ1 LYS C 92 -1.256 -4.074 -11.799 1.00 0.00 H new ATOM 0 HZ2 LYS C 92 -1.636 -2.419 -11.821 1.00 0.00 H new ATOM 0 HZ3 LYS C 92 -0.134 -2.937 -11.222 1.00 0.00 H new ATOM 1424 N GLN C 93 1.661 -2.296 -7.441 1.00 0.00 N ATOM 1425 CA GLN C 93 2.662 -1.751 -8.340 1.00 0.00 C ATOM 1426 C GLN C 93 2.195 -1.802 -9.783 1.00 0.00 C ATOM 1427 O GLN C 93 1.321 -2.587 -10.144 1.00 0.00 O ATOM 1428 CB GLN C 93 4.021 -2.428 -8.185 1.00 0.00 C ATOM 1429 CG GLN C 93 3.983 -3.789 -7.509 1.00 0.00 C ATOM 1430 CD GLN C 93 5.347 -4.454 -7.455 1.00 0.00 C ATOM 1431 OE1 GLN C 93 5.451 -5.680 -7.432 1.00 0.00 O ATOM 1432 NE2 GLN C 93 6.406 -3.654 -7.441 1.00 0.00 N ATOM 0 H GLN C 93 1.787 -3.278 -7.194 1.00 0.00 H new ATOM 0 HA GLN C 93 2.793 -0.706 -8.058 1.00 0.00 H new ATOM 0 HB2 GLN C 93 4.469 -2.541 -9.172 1.00 0.00 H new ATOM 0 HB3 GLN C 93 4.675 -1.771 -7.611 1.00 0.00 H new ATOM 0 HG2 GLN C 93 3.598 -3.676 -6.496 1.00 0.00 H new ATOM 0 HG3 GLN C 93 3.288 -4.437 -8.044 1.00 0.00 H new ATOM 0 HE21 GLN C 93 6.281 -2.642 -7.461 1.00 0.00 H new ATOM 0 HE22 GLN C 93 7.345 -4.051 -7.410 1.00 0.00 H new ATOM 1441 N ILE C 94 2.804 -0.967 -10.597 1.00 0.00 N ATOM 1442 CA ILE C 94 2.319 -0.694 -11.937 1.00 0.00 C ATOM 1443 C ILE C 94 3.060 -1.512 -12.990 1.00 0.00 C ATOM 1444 O ILE C 94 3.960 -0.966 -13.651 1.00 0.00 O ATOM 1445 CB ILE C 94 2.438 0.813 -12.239 1.00 0.00 C ATOM 1446 CG1 ILE C 94 3.775 1.356 -11.717 1.00 0.00 C ATOM 1447 CG2 ILE C 94 1.278 1.558 -11.607 1.00 0.00 C ATOM 1448 CD1 ILE C 94 3.893 2.862 -11.738 1.00 0.00 C ATOM 1449 OXT ILE C 94 2.732 -2.707 -13.150 1.00 0.00 O ATOM 0 H ILE C 94 3.651 -0.456 -10.350 1.00 0.00 H new ATOM 0 HA ILE C 94 1.271 -0.990 -11.981 1.00 0.00 H new ATOM 0 HB ILE C 94 2.405 0.963 -13.318 1.00 0.00 H new ATOM 0 HG12 ILE C 94 3.919 1.008 -10.694 1.00 0.00 H new ATOM 0 HG13 ILE C 94 4.582 0.933 -12.315 1.00 0.00 H new ATOM 0 HG21 ILE C 94 1.368 2.622 -11.824 1.00 0.00 H new ATOM 0 HG22 ILE C 94 0.339 1.183 -12.014 1.00 0.00 H new ATOM 0 HG23 ILE C 94 1.292 1.405 -10.528 1.00 0.00 H new ATOM 0 HD11 ILE C 94 4.869 3.156 -11.352 1.00 0.00 H new ATOM 0 HD12 ILE C 94 3.784 3.221 -12.761 1.00 0.00 H new ATOM 0 HD13 ILE C 94 3.111 3.297 -11.116 1.00 0.00 H new TER 1461 ILE C 94