USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1090 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 8 GLN : amide:sc= -0.943 X(o=-0.94,f=-1.4) USER MOD Single : A 10 SER OG : rot 106:sc= 1.2 USER MOD Single : A 11 LYS NZ :NH3+ -179:sc= -0.741 (180deg=-0.747) USER MOD Single : A 14 ASN : amide:sc= -9.4! C(o=-9.4!,f=-19!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 68:sc= -0.746! USER MOD Single : A 25 CYS SG : rot 74:sc= 0.0671 USER MOD Single : A 28 LYS NZ :NH3+ 162:sc= -3.02! (180deg=-3.57!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 72:sc= 1.15 USER MOD Single : A 37 HIS : no HD1:sc= -2.71! K(o=-2.7!,f=0.4) USER MOD Single : A 41 GLN : amide:sc= -0.0174 K(o=-0.017,f=-1.2!) USER MOD Single : A 42 THR OG1 : rot 160:sc= 1.18 USER MOD Single : A 45 GLN : amide:sc= -3.61! C(o=-3.6!,f=-2.6!) USER MOD Single : A 46 ASN : amide:sc= -7.54! C(o=-7.5!,f=-21!) USER MOD Single : A 48 CYS SG : rot -43:sc= -3.87 USER MOD Single : A 53 SER OG : rot 103:sc= 0.37 USER MOD Single : A 60 THR OG1 : rot -120:sc= -0.149 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -5.2! C(o=-5.2!,f=-2.2!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -3.05! C(o=-3!,f=-7.9!) USER MOD Single : A 72 SER OG : rot -62:sc= -0.247 USER MOD Single : A 74 GLN : amide:sc= -5.75! K(o=-5.8!,f=-0.11) USER MOD Single : A 77 GLN : amide:sc= -0.0143 X(o=-0.014,f=-0.37) USER MOD Single : A 79 GLN : amide:sc= -4.63! C(o=-4.6!,f=-0.037!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0288 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 MET CE :methyl 135:sc= -0.641 (180deg=-4.44!) USER MOD Single : A 104 ASN : amide:sc= -0.26 K(o=-0.26,f=-3!) USER MOD Single : A 107 CYS SG : rot -134:sc= -10.7! USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -8.41! C(o=-8.4!,f=-7.6!) USER MOD Single : A 122 MET CE :methyl 126:sc= -0.198 (180deg=-1.08) USER MOD Single : A 124 CYS SG : rot 180:sc= -0.0449 USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 134 GLN : amide:sc= -0.364 K(o=-0.36,f=-1.6!) USER MOD Single : A 140 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 141 GLN : amide:sc= -0.205 K(o=-0.2,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 -15.053 -24.647 3.732 1.00 0.00 N ATOM 2 CA VAL A 4 -14.327 -23.902 2.668 1.00 0.00 C ATOM 3 C VAL A 4 -13.906 -24.873 1.577 1.00 0.00 C ATOM 4 O VAL A 4 -13.534 -25.999 1.844 1.00 0.00 O ATOM 5 CB VAL A 4 -13.081 -23.235 3.250 1.00 0.00 C ATOM 6 CG1 VAL A 4 -12.360 -22.442 2.151 1.00 0.00 C ATOM 7 CG2 VAL A 4 -13.489 -22.296 4.387 1.00 0.00 C ATOM 0 HA VAL A 4 -14.985 -23.137 2.256 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.407 -23.999 3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -11.472 -21.967 2.568 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -12.067 -23.118 1.348 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -13.029 -21.677 1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -12.601 -21.820 4.802 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -14.164 -21.531 4.003 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.993 -22.867 5.167 1.00 0.00 H new ATOM 17 N VAL A 5 -13.960 -24.451 0.350 1.00 0.00 N ATOM 18 CA VAL A 5 -13.561 -25.363 -0.742 1.00 0.00 C ATOM 19 C VAL A 5 -12.031 -25.594 -0.674 1.00 0.00 C ATOM 20 O VAL A 5 -11.267 -24.653 -0.696 1.00 0.00 O ATOM 21 CB VAL A 5 -13.964 -24.740 -2.088 1.00 0.00 C ATOM 22 CG1 VAL A 5 -13.527 -23.259 -2.167 1.00 0.00 C ATOM 23 CG2 VAL A 5 -13.320 -25.551 -3.216 1.00 0.00 C ATOM 0 H VAL A 5 -14.261 -23.521 0.060 1.00 0.00 H new ATOM 0 HA VAL A 5 -14.063 -26.325 -0.640 1.00 0.00 H new ATOM 0 HB VAL A 5 -15.049 -24.766 -2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -13.824 -22.843 -3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -14.004 -22.696 -1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -12.444 -23.193 -2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -13.597 -25.120 -4.178 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.236 -25.528 -3.107 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.668 -26.583 -3.167 1.00 0.00 H new ATOM 33 N PRO A 6 -11.566 -26.830 -0.588 1.00 0.00 N ATOM 34 CA PRO A 6 -10.094 -27.125 -0.525 1.00 0.00 C ATOM 35 C PRO A 6 -9.250 -26.390 -1.588 1.00 0.00 C ATOM 36 O PRO A 6 -8.050 -26.580 -1.661 1.00 0.00 O ATOM 37 CB PRO A 6 -10.025 -28.644 -0.749 1.00 0.00 C ATOM 38 CG PRO A 6 -11.322 -29.166 -0.230 1.00 0.00 C ATOM 39 CD PRO A 6 -12.365 -28.082 -0.518 1.00 0.00 C ATOM 0 HA PRO A 6 -9.675 -26.784 0.422 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.897 -28.883 -1.805 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.181 -29.084 -0.218 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.589 -30.103 -0.720 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.259 -29.372 0.839 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.892 -28.273 -1.453 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.118 -28.032 0.269 1.00 0.00 H new ATOM 47 N ASP A 7 -9.839 -25.566 -2.417 1.00 0.00 N ATOM 48 CA ASP A 7 -9.010 -24.862 -3.459 1.00 0.00 C ATOM 49 C ASP A 7 -8.308 -23.632 -2.861 1.00 0.00 C ATOM 50 O ASP A 7 -7.393 -23.092 -3.452 1.00 0.00 O ATOM 51 CB ASP A 7 -9.893 -24.422 -4.632 1.00 0.00 C ATOM 52 CG ASP A 7 -10.841 -23.304 -4.188 1.00 0.00 C ATOM 53 OD1 ASP A 7 -10.844 -22.989 -3.011 1.00 0.00 O ATOM 54 OD2 ASP A 7 -11.547 -22.781 -5.035 1.00 0.00 O ATOM 0 H ASP A 7 -10.836 -25.349 -2.424 1.00 0.00 H new ATOM 0 HA ASP A 7 -8.254 -25.562 -3.815 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -9.270 -24.075 -5.456 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.468 -25.271 -5.003 1.00 0.00 H new ATOM 59 N GLN A 8 -8.707 -23.187 -1.698 1.00 0.00 N ATOM 60 CA GLN A 8 -8.025 -22.001 -1.091 1.00 0.00 C ATOM 61 C GLN A 8 -6.727 -22.461 -0.434 1.00 0.00 C ATOM 62 O GLN A 8 -5.641 -22.119 -0.842 1.00 0.00 O ATOM 63 CB GLN A 8 -8.904 -21.367 -0.011 1.00 0.00 C ATOM 64 CG GLN A 8 -10.309 -21.145 -0.552 1.00 0.00 C ATOM 65 CD GLN A 8 -10.260 -20.229 -1.770 1.00 0.00 C ATOM 66 OE1 GLN A 8 -9.498 -19.281 -1.811 1.00 0.00 O ATOM 67 NE2 GLN A 8 -11.068 -20.465 -2.762 1.00 0.00 N ATOM 0 H GLN A 8 -9.466 -23.586 -1.146 1.00 0.00 H new ATOM 0 HA GLN A 8 -7.832 -21.271 -1.877 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.940 -22.013 0.866 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.474 -20.418 0.310 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.758 -22.100 -0.823 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.939 -20.704 0.220 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.705 -21.261 -2.723 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.065 -19.854 -3.579 1.00 0.00 H new ATOM 76 N ARG A 9 -6.851 -23.241 0.595 1.00 0.00 N ATOM 77 CA ARG A 9 -5.656 -23.753 1.306 1.00 0.00 C ATOM 78 C ARG A 9 -4.697 -24.399 0.299 1.00 0.00 C ATOM 79 O ARG A 9 -3.490 -24.276 0.400 1.00 0.00 O ATOM 80 CB ARG A 9 -6.128 -24.789 2.328 1.00 0.00 C ATOM 81 CG ARG A 9 -6.946 -24.085 3.415 1.00 0.00 C ATOM 82 CD ARG A 9 -7.225 -25.066 4.547 1.00 0.00 C ATOM 83 NE ARG A 9 -8.213 -24.478 5.492 1.00 0.00 N ATOM 84 CZ ARG A 9 -8.757 -25.243 6.394 1.00 0.00 C ATOM 85 NH1 ARG A 9 -8.412 -26.500 6.456 1.00 0.00 N ATOM 86 NH2 ARG A 9 -9.636 -24.765 7.230 1.00 0.00 N ATOM 0 H ARG A 9 -7.744 -23.550 0.980 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.129 -22.943 1.810 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.732 -25.552 1.838 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.272 -25.297 2.772 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.402 -23.220 3.794 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.883 -23.715 2.999 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.608 -26.003 4.142 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.300 -25.301 5.073 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.460 -23.490 5.434 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.723 -26.873 5.802 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.831 -27.110 7.158 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.904 -23.782 7.181 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -10.056 -25.374 7.932 1.00 0.00 H new ATOM 100 N SER A 10 -5.240 -25.112 -0.654 1.00 0.00 N ATOM 101 CA SER A 10 -4.394 -25.806 -1.667 1.00 0.00 C ATOM 102 C SER A 10 -3.585 -24.821 -2.520 1.00 0.00 C ATOM 103 O SER A 10 -2.388 -24.954 -2.650 1.00 0.00 O ATOM 104 CB SER A 10 -5.292 -26.626 -2.594 1.00 0.00 C ATOM 105 OG SER A 10 -5.854 -27.710 -1.870 1.00 0.00 O ATOM 0 H SER A 10 -6.244 -25.243 -0.773 1.00 0.00 H new ATOM 0 HA SER A 10 -3.694 -26.444 -1.128 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.084 -25.997 -3.001 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.715 -27.000 -3.440 1.00 0.00 H new ATOM 0 HG SER A 10 -6.799 -27.526 -1.687 1.00 0.00 H new ATOM 111 N LYS A 11 -4.205 -23.849 -3.133 1.00 0.00 N ATOM 112 CA LYS A 11 -3.399 -22.930 -3.985 1.00 0.00 C ATOM 113 C LYS A 11 -2.371 -22.200 -3.126 1.00 0.00 C ATOM 114 O LYS A 11 -1.230 -22.042 -3.512 1.00 0.00 O ATOM 115 CB LYS A 11 -4.303 -21.925 -4.725 1.00 0.00 C ATOM 116 CG LYS A 11 -4.791 -20.830 -3.773 1.00 0.00 C ATOM 117 CD LYS A 11 -5.876 -19.992 -4.457 1.00 0.00 C ATOM 118 CE LYS A 11 -6.159 -18.748 -3.615 1.00 0.00 C ATOM 119 NZ LYS A 11 -5.034 -17.787 -3.770 1.00 0.00 N ATOM 0 H LYS A 11 -5.205 -23.655 -3.084 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.877 -23.521 -4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.754 -21.476 -5.552 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.158 -22.446 -5.156 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.186 -21.278 -2.861 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.957 -20.192 -3.480 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.552 -19.703 -5.457 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.786 -20.580 -4.575 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.094 -18.286 -3.930 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.277 -19.023 -2.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.213 -16.946 -3.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.148 -18.238 -3.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.953 -17.505 -4.768 1.00 0.00 H new ATOM 133 N PHE A 12 -2.753 -21.756 -1.964 1.00 0.00 N ATOM 134 CA PHE A 12 -1.774 -21.048 -1.105 1.00 0.00 C ATOM 135 C PHE A 12 -0.634 -21.994 -0.640 1.00 0.00 C ATOM 136 O PHE A 12 0.510 -21.597 -0.584 1.00 0.00 O ATOM 137 CB PHE A 12 -2.484 -20.399 0.100 1.00 0.00 C ATOM 138 CG PHE A 12 -1.432 -19.923 1.081 1.00 0.00 C ATOM 139 CD1 PHE A 12 -0.890 -20.838 1.990 1.00 0.00 C ATOM 140 CD2 PHE A 12 -0.967 -18.597 1.058 1.00 0.00 C ATOM 141 CE1 PHE A 12 0.109 -20.436 2.882 1.00 0.00 C ATOM 142 CE2 PHE A 12 0.041 -18.201 1.950 1.00 0.00 C ATOM 143 CZ PHE A 12 0.576 -19.119 2.862 1.00 0.00 C ATOM 0 H PHE A 12 -3.692 -21.852 -1.576 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.315 -20.258 -1.700 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.100 -19.563 -0.229 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.150 -21.117 0.578 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.244 -21.858 2.003 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.383 -17.887 0.358 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.520 -21.144 3.587 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.406 -17.185 1.933 1.00 0.00 H new ATOM 0 HZ PHE A 12 1.349 -18.809 3.550 1.00 0.00 H new ATOM 153 N GLU A 13 -0.917 -23.221 -0.269 1.00 0.00 N ATOM 154 CA GLU A 13 0.194 -24.108 0.220 1.00 0.00 C ATOM 155 C GLU A 13 1.118 -24.591 -0.919 1.00 0.00 C ATOM 156 O GLU A 13 2.209 -25.055 -0.652 1.00 0.00 O ATOM 157 CB GLU A 13 -0.391 -25.318 0.967 1.00 0.00 C ATOM 158 CG GLU A 13 -1.029 -26.289 -0.019 1.00 0.00 C ATOM 159 CD GLU A 13 -1.793 -27.381 0.742 1.00 0.00 C ATOM 160 OE1 GLU A 13 -1.765 -27.357 1.962 1.00 0.00 O ATOM 161 OE2 GLU A 13 -2.392 -28.220 0.089 1.00 0.00 O ATOM 0 H GLU A 13 -1.846 -23.642 -0.281 1.00 0.00 H new ATOM 0 HA GLU A 13 0.805 -23.510 0.897 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.395 -25.823 1.528 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.134 -24.983 1.691 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.708 -25.753 -0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.261 -26.741 -0.646 1.00 0.00 H new ATOM 168 N ASN A 14 0.711 -24.521 -2.174 1.00 0.00 N ATOM 169 CA ASN A 14 1.612 -25.028 -3.281 1.00 0.00 C ATOM 170 C ASN A 14 2.285 -23.885 -4.057 1.00 0.00 C ATOM 171 O ASN A 14 3.370 -24.054 -4.578 1.00 0.00 O ATOM 172 CB ASN A 14 0.787 -25.861 -4.259 1.00 0.00 C ATOM 173 CG ASN A 14 -0.456 -25.078 -4.669 1.00 0.00 C ATOM 174 OD1 ASN A 14 -0.386 -23.893 -4.913 1.00 0.00 O ATOM 175 ND2 ASN A 14 -1.603 -25.691 -4.734 1.00 0.00 N ATOM 0 H ASN A 14 -0.186 -24.144 -2.478 1.00 0.00 H new ATOM 0 HA ASN A 14 2.395 -25.626 -2.815 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.383 -26.105 -5.138 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.499 -26.805 -3.797 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.444 -25.174 -4.991 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.661 -26.688 -4.528 1.00 0.00 H new ATOM 182 N GLU A 15 1.671 -22.734 -4.157 1.00 0.00 N ATOM 183 CA GLU A 15 2.323 -21.619 -4.923 1.00 0.00 C ATOM 184 C GLU A 15 3.426 -20.981 -4.071 1.00 0.00 C ATOM 185 O GLU A 15 3.180 -20.472 -2.997 1.00 0.00 O ATOM 186 CB GLU A 15 1.279 -20.560 -5.309 1.00 0.00 C ATOM 187 CG GLU A 15 0.436 -21.073 -6.482 1.00 0.00 C ATOM 188 CD GLU A 15 -0.722 -20.110 -6.746 1.00 0.00 C ATOM 189 OE1 GLU A 15 -1.578 -19.996 -5.884 1.00 0.00 O ATOM 190 OE2 GLU A 15 -0.740 -19.510 -7.806 1.00 0.00 O ATOM 0 H GLU A 15 0.761 -22.516 -3.750 1.00 0.00 H new ATOM 0 HA GLU A 15 2.764 -22.025 -5.834 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.637 -20.339 -4.456 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.775 -19.629 -5.584 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.055 -21.165 -7.374 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.050 -22.067 -6.257 1.00 0.00 H new ATOM 197 N GLU A 16 4.647 -21.022 -4.554 1.00 0.00 N ATOM 198 CA GLU A 16 5.802 -20.440 -3.797 1.00 0.00 C ATOM 199 C GLU A 16 5.834 -18.908 -3.973 1.00 0.00 C ATOM 200 O GLU A 16 6.605 -18.215 -3.346 1.00 0.00 O ATOM 201 CB GLU A 16 7.114 -21.065 -4.305 1.00 0.00 C ATOM 202 CG GLU A 16 8.213 -20.896 -3.244 1.00 0.00 C ATOM 203 CD GLU A 16 7.985 -21.907 -2.113 1.00 0.00 C ATOM 204 OE1 GLU A 16 7.582 -23.019 -2.409 1.00 0.00 O ATOM 205 OE2 GLU A 16 8.221 -21.550 -0.969 1.00 0.00 O ATOM 0 H GLU A 16 4.894 -21.439 -5.451 1.00 0.00 H new ATOM 0 HA GLU A 16 5.688 -20.662 -2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.964 -22.123 -4.522 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.418 -20.588 -5.237 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.194 -21.050 -3.693 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.199 -19.881 -2.848 1.00 0.00 H new ATOM 212 N PHE A 17 5.021 -18.389 -4.849 1.00 0.00 N ATOM 213 CA PHE A 17 4.997 -16.912 -5.113 1.00 0.00 C ATOM 214 C PHE A 17 4.838 -16.083 -3.821 1.00 0.00 C ATOM 215 O PHE A 17 5.034 -14.884 -3.844 1.00 0.00 O ATOM 216 CB PHE A 17 3.837 -16.621 -6.103 1.00 0.00 C ATOM 217 CG PHE A 17 3.209 -15.263 -5.831 1.00 0.00 C ATOM 218 CD1 PHE A 17 3.936 -14.083 -6.046 1.00 0.00 C ATOM 219 CD2 PHE A 17 1.902 -15.196 -5.330 1.00 0.00 C ATOM 220 CE1 PHE A 17 3.355 -12.842 -5.753 1.00 0.00 C ATOM 221 CE2 PHE A 17 1.323 -13.960 -5.046 1.00 0.00 C ATOM 222 CZ PHE A 17 2.047 -12.784 -5.253 1.00 0.00 C ATOM 0 H PHE A 17 4.359 -18.930 -5.405 1.00 0.00 H new ATOM 0 HA PHE A 17 5.953 -16.614 -5.543 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.212 -16.653 -7.126 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.078 -17.399 -6.017 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.942 -14.131 -6.437 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.342 -16.104 -5.163 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.914 -11.932 -5.912 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.313 -13.912 -4.665 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.598 -11.828 -5.027 1.00 0.00 H new ATOM 232 N PHE A 18 4.464 -16.651 -2.709 1.00 0.00 N ATOM 233 CA PHE A 18 4.289 -15.780 -1.508 1.00 0.00 C ATOM 234 C PHE A 18 5.643 -15.426 -0.904 1.00 0.00 C ATOM 235 O PHE A 18 6.005 -14.271 -0.832 1.00 0.00 O ATOM 236 CB PHE A 18 3.443 -16.517 -0.472 1.00 0.00 C ATOM 237 CG PHE A 18 2.220 -17.058 -1.161 1.00 0.00 C ATOM 238 CD1 PHE A 18 1.231 -16.179 -1.616 1.00 0.00 C ATOM 239 CD2 PHE A 18 2.087 -18.430 -1.369 1.00 0.00 C ATOM 240 CE1 PHE A 18 0.103 -16.676 -2.275 1.00 0.00 C ATOM 241 CE2 PHE A 18 0.966 -18.928 -2.031 1.00 0.00 C ATOM 242 CZ PHE A 18 -0.030 -18.052 -2.484 1.00 0.00 C ATOM 0 H PHE A 18 4.277 -17.645 -2.577 1.00 0.00 H new ATOM 0 HA PHE A 18 3.790 -14.858 -1.807 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.015 -17.328 -0.022 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.157 -15.842 0.335 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.339 -15.116 -1.458 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.852 -19.107 -1.017 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.664 -15.999 -2.622 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.865 -19.991 -2.195 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.899 -18.440 -2.994 1.00 0.00 H new ATOM 252 N ARG A 19 6.403 -16.384 -0.479 1.00 0.00 N ATOM 253 CA ARG A 19 7.737 -16.052 0.107 1.00 0.00 C ATOM 254 C ARG A 19 8.612 -15.320 -0.927 1.00 0.00 C ATOM 255 O ARG A 19 9.418 -14.476 -0.585 1.00 0.00 O ATOM 256 CB ARG A 19 8.444 -17.344 0.565 1.00 0.00 C ATOM 257 CG ARG A 19 8.014 -18.528 -0.330 1.00 0.00 C ATOM 258 CD ARG A 19 6.803 -19.255 0.284 1.00 0.00 C ATOM 259 NE ARG A 19 7.282 -20.355 1.169 1.00 0.00 N ATOM 260 CZ ARG A 19 6.480 -20.866 2.058 1.00 0.00 C ATOM 261 NH1 ARG A 19 5.287 -20.366 2.220 1.00 0.00 N ATOM 262 NH2 ARG A 19 6.880 -21.863 2.804 1.00 0.00 N ATOM 0 H ARG A 19 6.169 -17.376 -0.507 1.00 0.00 H new ATOM 0 HA ARG A 19 7.587 -15.398 0.966 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.525 -17.214 0.515 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.196 -17.555 1.605 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.761 -18.166 -1.326 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.844 -19.225 -0.445 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.195 -18.553 0.855 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.169 -19.658 -0.505 1.00 0.00 H new ATOM 0 HE ARG A 19 8.235 -20.706 1.078 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.984 -19.576 1.651 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.657 -20.765 2.916 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.821 -22.240 2.689 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.251 -22.263 3.500 1.00 0.00 H new ATOM 276 N LYS A 20 8.488 -15.664 -2.179 1.00 0.00 N ATOM 277 CA LYS A 20 9.340 -15.018 -3.222 1.00 0.00 C ATOM 278 C LYS A 20 9.121 -13.504 -3.282 1.00 0.00 C ATOM 279 O LYS A 20 10.064 -12.744 -3.389 1.00 0.00 O ATOM 280 CB LYS A 20 8.976 -15.618 -4.572 1.00 0.00 C ATOM 281 CG LYS A 20 9.360 -17.095 -4.579 1.00 0.00 C ATOM 282 CD LYS A 20 8.984 -17.729 -5.927 1.00 0.00 C ATOM 283 CE LYS A 20 10.031 -17.374 -6.990 1.00 0.00 C ATOM 284 NZ LYS A 20 9.838 -18.238 -8.189 1.00 0.00 N ATOM 0 H LYS A 20 7.834 -16.365 -2.527 1.00 0.00 H new ATOM 0 HA LYS A 20 10.386 -15.196 -2.972 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.908 -15.506 -4.758 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.496 -15.090 -5.371 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.430 -17.202 -4.403 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.851 -17.616 -3.768 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.915 -18.812 -5.821 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.002 -17.376 -6.242 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.941 -16.324 -7.268 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.034 -17.512 -6.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.548 -17.996 -8.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.945 -19.236 -7.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.886 -18.085 -8.578 1.00 0.00 H new ATOM 298 N LEU A 21 7.890 -13.061 -3.229 1.00 0.00 N ATOM 299 CA LEU A 21 7.599 -11.586 -3.303 1.00 0.00 C ATOM 300 C LEU A 21 6.984 -11.094 -1.982 1.00 0.00 C ATOM 301 O LEU A 21 7.146 -9.950 -1.601 1.00 0.00 O ATOM 302 CB LEU A 21 6.596 -11.328 -4.452 1.00 0.00 C ATOM 303 CG LEU A 21 7.321 -11.092 -5.796 1.00 0.00 C ATOM 304 CD1 LEU A 21 8.020 -9.720 -5.805 1.00 0.00 C ATOM 305 CD2 LEU A 21 8.348 -12.205 -6.053 1.00 0.00 C ATOM 0 H LEU A 21 7.067 -13.656 -3.137 1.00 0.00 H new ATOM 0 HA LEU A 21 8.530 -11.049 -3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.922 -12.180 -4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.982 -10.460 -4.212 1.00 0.00 H new ATOM 0 HG LEU A 21 6.575 -11.108 -6.591 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.524 -9.575 -6.760 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.279 -8.933 -5.662 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.752 -9.679 -4.999 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.850 -12.024 -7.003 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.084 -12.213 -5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.839 -13.168 -6.089 1.00 0.00 H new ATOM 317 N SER A 22 6.262 -11.940 -1.297 1.00 0.00 N ATOM 318 CA SER A 22 5.611 -11.514 -0.025 1.00 0.00 C ATOM 319 C SER A 22 6.644 -11.511 1.106 1.00 0.00 C ATOM 320 O SER A 22 6.465 -12.127 2.137 1.00 0.00 O ATOM 321 CB SER A 22 4.453 -12.470 0.304 1.00 0.00 C ATOM 322 OG SER A 22 4.924 -13.532 1.123 1.00 0.00 O ATOM 0 H SER A 22 6.095 -12.910 -1.565 1.00 0.00 H new ATOM 0 HA SER A 22 5.213 -10.505 -0.136 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.657 -11.929 0.816 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.026 -12.870 -0.616 1.00 0.00 H new ATOM 0 HG SER A 22 5.165 -13.182 2.006 1.00 0.00 H new ATOM 328 N ARG A 23 7.725 -10.811 0.917 1.00 0.00 N ATOM 329 CA ARG A 23 8.786 -10.751 1.963 1.00 0.00 C ATOM 330 C ARG A 23 9.290 -9.301 2.024 1.00 0.00 C ATOM 331 O ARG A 23 8.790 -8.445 1.312 1.00 0.00 O ATOM 332 CB ARG A 23 9.916 -11.727 1.572 1.00 0.00 C ATOM 333 CG ARG A 23 10.644 -12.244 2.825 1.00 0.00 C ATOM 334 CD ARG A 23 9.860 -13.396 3.486 1.00 0.00 C ATOM 335 NE ARG A 23 10.342 -14.702 2.949 1.00 0.00 N ATOM 336 CZ ARG A 23 10.077 -15.811 3.589 1.00 0.00 C ATOM 337 NH1 ARG A 23 9.424 -15.775 4.720 1.00 0.00 N ATOM 338 NH2 ARG A 23 10.477 -16.957 3.106 1.00 0.00 N ATOM 0 H ARG A 23 7.923 -10.271 0.074 1.00 0.00 H new ATOM 0 HA ARG A 23 8.412 -11.042 2.945 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.502 -12.566 1.014 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.625 -11.225 0.914 1.00 0.00 H new ATOM 0 HG2 ARG A 23 11.642 -12.588 2.554 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.770 -11.429 3.538 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.991 -13.365 4.568 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.794 -13.282 3.291 1.00 0.00 H new ATOM 0 HE ARG A 23 10.879 -14.730 2.082 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.120 -14.881 5.105 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.218 -16.641 5.218 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.997 -16.987 2.229 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.270 -17.821 3.606 1.00 0.00 H new ATOM 352 N GLU A 24 10.232 -8.999 2.880 1.00 0.00 N ATOM 353 CA GLU A 24 10.725 -7.593 2.963 1.00 0.00 C ATOM 354 C GLU A 24 11.338 -7.197 1.615 1.00 0.00 C ATOM 355 O GLU A 24 12.334 -7.748 1.188 1.00 0.00 O ATOM 356 CB GLU A 24 11.759 -7.465 4.098 1.00 0.00 C ATOM 357 CG GLU A 24 12.894 -8.478 3.894 1.00 0.00 C ATOM 358 CD GLU A 24 13.740 -8.608 5.169 1.00 0.00 C ATOM 359 OE1 GLU A 24 13.398 -9.425 6.010 1.00 0.00 O ATOM 360 OE2 GLU A 24 14.732 -7.901 5.273 1.00 0.00 O ATOM 0 H GLU A 24 10.677 -9.658 3.519 1.00 0.00 H new ATOM 0 HA GLU A 24 9.896 -6.921 3.185 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.164 -6.453 4.119 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.277 -7.636 5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.478 -9.449 3.627 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.525 -8.162 3.063 1.00 0.00 H new ATOM 367 N CYS A 25 10.739 -6.256 0.925 1.00 0.00 N ATOM 368 CA CYS A 25 11.278 -5.829 -0.407 1.00 0.00 C ATOM 369 C CYS A 25 11.362 -4.299 -0.487 1.00 0.00 C ATOM 370 O CYS A 25 10.546 -3.589 0.066 1.00 0.00 O ATOM 371 CB CYS A 25 10.345 -6.352 -1.503 1.00 0.00 C ATOM 372 SG CYS A 25 10.512 -8.154 -1.629 1.00 0.00 S ATOM 0 H CYS A 25 9.898 -5.764 1.227 1.00 0.00 H new ATOM 0 HA CYS A 25 12.281 -6.236 -0.539 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.313 -6.087 -1.274 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.590 -5.886 -2.457 1.00 0.00 H new ATOM 0 HG CYS A 25 9.921 -8.716 -0.617 1.00 0.00 H new ATOM 378 N GLU A 26 12.334 -3.782 -1.192 1.00 0.00 N ATOM 379 CA GLU A 26 12.449 -2.299 -1.324 1.00 0.00 C ATOM 380 C GLU A 26 11.191 -1.752 -2.011 1.00 0.00 C ATOM 381 O GLU A 26 10.611 -2.403 -2.860 1.00 0.00 O ATOM 382 CB GLU A 26 13.682 -1.947 -2.162 1.00 0.00 C ATOM 383 CG GLU A 26 14.948 -2.411 -1.438 1.00 0.00 C ATOM 384 CD GLU A 26 16.183 -2.010 -2.253 1.00 0.00 C ATOM 385 OE1 GLU A 26 16.457 -2.667 -3.244 1.00 0.00 O ATOM 386 OE2 GLU A 26 16.838 -1.054 -1.869 1.00 0.00 O ATOM 0 H GLU A 26 13.050 -4.319 -1.680 1.00 0.00 H new ATOM 0 HA GLU A 26 12.550 -1.855 -0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.616 -2.423 -3.141 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.723 -0.871 -2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.995 -1.965 -0.445 1.00 0.00 H new ATOM 0 HG3 GLU A 26 14.925 -3.492 -1.301 1.00 0.00 H new ATOM 393 N ILE A 27 10.760 -0.558 -1.658 1.00 0.00 N ATOM 394 CA ILE A 27 9.538 0.027 -2.302 1.00 0.00 C ATOM 395 C ILE A 27 9.789 1.492 -2.645 1.00 0.00 C ATOM 396 O ILE A 27 10.489 2.211 -1.936 1.00 0.00 O ATOM 397 CB ILE A 27 8.342 -0.097 -1.344 1.00 0.00 C ATOM 398 CG1 ILE A 27 8.448 0.929 -0.195 1.00 0.00 C ATOM 399 CG2 ILE A 27 8.324 -1.509 -0.765 1.00 0.00 C ATOM 400 CD1 ILE A 27 7.264 0.773 0.760 1.00 0.00 C ATOM 0 H ILE A 27 11.202 0.033 -0.954 1.00 0.00 H new ATOM 0 HA ILE A 27 9.315 -0.516 -3.220 1.00 0.00 H new ATOM 0 HB ILE A 27 7.423 0.101 -1.895 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.383 0.785 0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.467 1.940 -0.601 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.480 -1.612 -0.083 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.227 -2.233 -1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.252 -1.692 -0.224 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.349 1.501 1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.334 0.940 0.217 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.264 -0.233 1.179 1.00 0.00 H new ATOM 412 N LYS A 28 9.202 1.947 -3.715 1.00 0.00 N ATOM 413 CA LYS A 28 9.387 3.359 -4.120 1.00 0.00 C ATOM 414 C LYS A 28 8.087 3.900 -4.721 1.00 0.00 C ATOM 415 O LYS A 28 7.490 3.299 -5.597 1.00 0.00 O ATOM 416 CB LYS A 28 10.520 3.412 -5.140 1.00 0.00 C ATOM 417 CG LYS A 28 10.787 4.853 -5.548 1.00 0.00 C ATOM 418 CD LYS A 28 12.077 4.911 -6.374 1.00 0.00 C ATOM 419 CE LYS A 28 11.874 4.223 -7.735 1.00 0.00 C ATOM 420 NZ LYS A 28 12.978 4.613 -8.661 1.00 0.00 N ATOM 0 H LYS A 28 8.600 1.396 -4.327 1.00 0.00 H new ATOM 0 HA LYS A 28 9.640 3.977 -3.259 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.423 2.972 -4.716 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.259 2.820 -6.017 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.950 5.240 -6.130 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.879 5.483 -4.663 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.373 5.949 -6.525 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.887 4.424 -5.830 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.857 3.141 -7.608 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.912 4.509 -8.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.023 3.938 -9.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.799 5.568 -9.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.882 4.605 -8.147 1.00 0.00 H new ATOM 434 N TYR A 29 7.649 5.032 -4.234 1.00 0.00 N ATOM 435 CA TYR A 29 6.383 5.645 -4.733 1.00 0.00 C ATOM 436 C TYR A 29 6.516 6.072 -6.196 1.00 0.00 C ATOM 437 O TYR A 29 7.594 6.370 -6.678 1.00 0.00 O ATOM 438 CB TYR A 29 6.065 6.868 -3.880 1.00 0.00 C ATOM 439 CG TYR A 29 4.828 7.552 -4.416 1.00 0.00 C ATOM 440 CD1 TYR A 29 3.570 6.967 -4.239 1.00 0.00 C ATOM 441 CD2 TYR A 29 4.942 8.778 -5.082 1.00 0.00 C ATOM 442 CE1 TYR A 29 2.426 7.609 -4.729 1.00 0.00 C ATOM 443 CE2 TYR A 29 3.799 9.417 -5.569 1.00 0.00 C ATOM 444 CZ TYR A 29 2.542 8.834 -5.392 1.00 0.00 C ATOM 445 OH TYR A 29 1.418 9.466 -5.876 1.00 0.00 O ATOM 0 H TYR A 29 8.121 5.564 -3.503 1.00 0.00 H new ATOM 0 HA TYR A 29 5.584 4.907 -4.664 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.908 6.570 -2.843 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.908 7.559 -3.889 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.481 6.021 -3.725 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.913 9.230 -5.219 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.454 7.158 -4.595 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.887 10.363 -6.083 1.00 0.00 H new ATOM 0 HH TYR A 29 1.676 10.307 -6.308 1.00 0.00 H new ATOM 455 N THR A 30 5.410 6.103 -6.898 1.00 0.00 N ATOM 456 CA THR A 30 5.422 6.508 -8.335 1.00 0.00 C ATOM 457 C THR A 30 5.425 8.032 -8.440 1.00 0.00 C ATOM 458 O THR A 30 4.587 8.702 -7.883 1.00 0.00 O ATOM 459 CB THR A 30 4.164 5.965 -9.018 1.00 0.00 C ATOM 460 OG1 THR A 30 4.070 4.570 -8.780 1.00 0.00 O ATOM 461 CG2 THR A 30 4.232 6.224 -10.524 1.00 0.00 C ATOM 0 H THR A 30 4.490 5.862 -6.531 1.00 0.00 H new ATOM 0 HA THR A 30 6.314 6.108 -8.817 1.00 0.00 H new ATOM 0 HB THR A 30 3.287 6.469 -8.612 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.829 4.414 -7.843 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.333 5.834 -11.001 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.304 7.296 -10.706 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.108 5.726 -10.940 1.00 0.00 H new ATOM 469 N GLY A 31 6.352 8.592 -9.157 1.00 0.00 N ATOM 470 CA GLY A 31 6.380 10.074 -9.283 1.00 0.00 C ATOM 471 C GLY A 31 7.590 10.485 -10.114 1.00 0.00 C ATOM 472 O GLY A 31 8.424 9.670 -10.453 1.00 0.00 O ATOM 0 H GLY A 31 7.087 8.094 -9.659 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.463 10.428 -9.754 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.429 10.534 -8.296 1.00 0.00 H new ATOM 476 N PHE A 32 7.689 11.743 -10.452 1.00 0.00 N ATOM 477 CA PHE A 32 8.844 12.208 -11.272 1.00 0.00 C ATOM 478 C PHE A 32 10.031 12.555 -10.368 1.00 0.00 C ATOM 479 O PHE A 32 10.146 13.654 -9.864 1.00 0.00 O ATOM 480 CB PHE A 32 8.421 13.442 -12.074 1.00 0.00 C ATOM 481 CG PHE A 32 7.359 13.036 -13.070 1.00 0.00 C ATOM 482 CD1 PHE A 32 7.706 12.264 -14.186 1.00 0.00 C ATOM 483 CD2 PHE A 32 6.026 13.417 -12.870 1.00 0.00 C ATOM 484 CE1 PHE A 32 6.720 11.872 -15.100 1.00 0.00 C ATOM 485 CE2 PHE A 32 5.040 13.023 -13.780 1.00 0.00 C ATOM 486 CZ PHE A 32 5.386 12.250 -14.896 1.00 0.00 C ATOM 0 H PHE A 32 7.019 12.468 -10.195 1.00 0.00 H new ATOM 0 HA PHE A 32 9.149 11.413 -11.952 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.037 14.213 -11.406 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.280 13.868 -12.592 1.00 0.00 H new ATOM 0 HD1 PHE A 32 8.734 11.971 -14.342 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.759 14.016 -12.012 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.988 11.279 -15.962 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.012 13.315 -13.623 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.625 11.945 -15.599 1.00 0.00 H new ATOM 496 N ARG A 33 10.925 11.624 -10.189 1.00 0.00 N ATOM 497 CA ARG A 33 12.136 11.873 -9.358 1.00 0.00 C ATOM 498 C ARG A 33 12.948 13.013 -9.964 1.00 0.00 C ATOM 499 O ARG A 33 13.793 13.594 -9.312 1.00 0.00 O ATOM 500 CB ARG A 33 13.011 10.629 -9.327 1.00 0.00 C ATOM 501 CG ARG A 33 12.240 9.457 -8.726 1.00 0.00 C ATOM 502 CD ARG A 33 13.173 8.252 -8.641 1.00 0.00 C ATOM 503 NE ARG A 33 14.292 8.585 -7.711 1.00 0.00 N ATOM 504 CZ ARG A 33 15.102 7.651 -7.293 1.00 0.00 C ATOM 505 NH1 ARG A 33 14.981 6.438 -7.744 1.00 0.00 N ATOM 506 NH2 ARG A 33 16.060 7.938 -6.452 1.00 0.00 N ATOM 0 H ARG A 33 10.867 10.687 -10.589 1.00 0.00 H new ATOM 0 HA ARG A 33 11.818 12.130 -8.348 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.337 10.380 -10.337 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.909 10.822 -8.740 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.868 9.718 -7.735 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.372 9.220 -9.341 1.00 0.00 H new ATOM 0 HD2 ARG A 33 12.630 7.377 -8.283 1.00 0.00 H new ATOM 0 HD3 ARG A 33 13.562 8.004 -9.628 1.00 0.00 H new ATOM 0 HE ARG A 33 14.424 9.548 -7.401 1.00 0.00 H new ATOM 0 HH11 ARG A 33 14.254 6.217 -8.424 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.614 5.707 -7.418 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.177 8.895 -6.120 1.00 0.00 H new ATOM 0 HH22 ARG A 33 16.691 7.205 -6.128 1.00 0.00 H new ATOM 520 N ASP A 34 12.737 13.312 -11.223 1.00 0.00 N ATOM 521 CA ASP A 34 13.542 14.384 -11.864 1.00 0.00 C ATOM 522 C ASP A 34 13.060 15.733 -11.345 1.00 0.00 C ATOM 523 O ASP A 34 13.630 16.760 -11.646 1.00 0.00 O ATOM 524 CB ASP A 34 13.384 14.338 -13.391 1.00 0.00 C ATOM 525 CG ASP A 34 13.827 12.975 -13.924 1.00 0.00 C ATOM 526 OD1 ASP A 34 13.030 12.053 -13.873 1.00 0.00 O ATOM 527 OD2 ASP A 34 14.955 12.876 -14.377 1.00 0.00 O ATOM 0 H ASP A 34 12.048 12.862 -11.825 1.00 0.00 H new ATOM 0 HA ASP A 34 14.594 14.237 -11.621 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.345 14.523 -13.663 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.979 15.128 -13.850 1.00 0.00 H new ATOM 532 N ARG A 35 12.034 15.738 -10.532 1.00 0.00 N ATOM 533 CA ARG A 35 11.550 17.024 -9.958 1.00 0.00 C ATOM 534 C ARG A 35 12.387 17.320 -8.706 1.00 0.00 C ATOM 535 O ARG A 35 12.617 16.431 -7.912 1.00 0.00 O ATOM 536 CB ARG A 35 10.071 16.894 -9.576 1.00 0.00 C ATOM 537 CG ARG A 35 9.203 16.975 -10.845 1.00 0.00 C ATOM 538 CD ARG A 35 9.238 18.397 -11.447 1.00 0.00 C ATOM 539 NE ARG A 35 7.891 18.728 -12.018 1.00 0.00 N ATOM 540 CZ ARG A 35 7.278 17.895 -12.815 1.00 0.00 C ATOM 541 NH1 ARG A 35 7.893 16.830 -13.244 1.00 0.00 N ATOM 542 NH2 ARG A 35 6.054 18.141 -13.203 1.00 0.00 N ATOM 0 H ARG A 35 11.514 14.909 -10.243 1.00 0.00 H new ATOM 0 HA ARG A 35 11.651 17.831 -10.684 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.899 15.947 -9.065 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.793 17.687 -8.881 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.560 16.255 -11.581 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.175 16.702 -10.605 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.508 19.122 -10.680 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.000 18.456 -12.224 1.00 0.00 H new ATOM 0 HE ARG A 35 7.448 19.616 -11.781 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.854 16.646 -12.957 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.413 16.180 -13.867 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.577 18.984 -12.883 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.576 17.490 -13.826 1.00 0.00 H new ATOM 556 N PRO A 36 12.862 18.537 -8.527 1.00 0.00 N ATOM 557 CA PRO A 36 13.692 18.901 -7.345 1.00 0.00 C ATOM 558 C PRO A 36 13.244 18.227 -6.046 1.00 0.00 C ATOM 559 O PRO A 36 12.201 17.608 -5.966 1.00 0.00 O ATOM 560 CB PRO A 36 13.506 20.414 -7.239 1.00 0.00 C ATOM 561 CG PRO A 36 13.326 20.875 -8.651 1.00 0.00 C ATOM 562 CD PRO A 36 12.675 19.706 -9.417 1.00 0.00 C ATOM 0 HA PRO A 36 14.724 18.577 -7.477 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.639 20.664 -6.627 1.00 0.00 H new ATOM 0 HB3 PRO A 36 14.371 20.888 -6.775 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.696 21.763 -8.691 1.00 0.00 H new ATOM 0 HG3 PRO A 36 14.284 21.144 -9.096 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.619 19.895 -9.609 1.00 0.00 H new ATOM 0 HD3 PRO A 36 13.152 19.550 -10.385 1.00 0.00 H new ATOM 570 N HIS A 37 14.026 18.383 -5.016 1.00 0.00 N ATOM 571 CA HIS A 37 13.670 17.793 -3.698 1.00 0.00 C ATOM 572 C HIS A 37 12.247 18.207 -3.349 1.00 0.00 C ATOM 573 O HIS A 37 11.604 17.617 -2.509 1.00 0.00 O ATOM 574 CB HIS A 37 14.632 18.317 -2.624 1.00 0.00 C ATOM 575 CG HIS A 37 14.866 19.790 -2.830 1.00 0.00 C ATOM 576 ND1 HIS A 37 14.359 20.751 -1.969 1.00 0.00 N ATOM 577 CD2 HIS A 37 15.561 20.482 -3.791 1.00 0.00 C ATOM 578 CE1 HIS A 37 14.755 21.955 -2.425 1.00 0.00 C ATOM 579 NE2 HIS A 37 15.490 21.847 -3.533 1.00 0.00 N ATOM 0 H HIS A 37 14.905 18.899 -5.032 1.00 0.00 H new ATOM 0 HA HIS A 37 13.743 16.706 -3.744 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.217 18.140 -1.632 1.00 0.00 H new ATOM 0 HB3 HIS A 37 15.578 17.778 -2.675 1.00 0.00 H new ATOM 0 HD2 HIS A 37 16.084 20.034 -4.623 1.00 0.00 H new ATOM 0 HE1 HIS A 37 14.508 22.893 -1.951 1.00 0.00 H new ATOM 0 HE2 HIS A 37 15.910 22.603 -4.074 1.00 0.00 H new ATOM 587 N GLU A 38 11.747 19.210 -4.002 1.00 0.00 N ATOM 588 CA GLU A 38 10.360 19.653 -3.716 1.00 0.00 C ATOM 589 C GLU A 38 9.392 18.489 -3.947 1.00 0.00 C ATOM 590 O GLU A 38 8.245 18.547 -3.554 1.00 0.00 O ATOM 591 CB GLU A 38 9.996 20.840 -4.621 1.00 0.00 C ATOM 592 CG GLU A 38 9.782 20.369 -6.068 1.00 0.00 C ATOM 593 CD GLU A 38 8.364 19.815 -6.242 1.00 0.00 C ATOM 594 OE1 GLU A 38 7.432 20.482 -5.825 1.00 0.00 O ATOM 595 OE2 GLU A 38 8.237 18.731 -6.786 1.00 0.00 O ATOM 0 H GLU A 38 12.237 19.743 -4.721 1.00 0.00 H new ATOM 0 HA GLU A 38 10.287 19.972 -2.676 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.091 21.322 -4.252 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.790 21.586 -4.589 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.942 21.199 -6.756 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.513 19.601 -6.320 1.00 0.00 H new ATOM 602 N GLU A 39 9.826 17.437 -4.598 1.00 0.00 N ATOM 603 CA GLU A 39 8.898 16.305 -4.854 1.00 0.00 C ATOM 604 C GLU A 39 8.605 15.537 -3.559 1.00 0.00 C ATOM 605 O GLU A 39 7.552 14.951 -3.411 1.00 0.00 O ATOM 606 CB GLU A 39 9.532 15.363 -5.877 1.00 0.00 C ATOM 607 CG GLU A 39 10.730 14.641 -5.252 1.00 0.00 C ATOM 608 CD GLU A 39 11.532 13.952 -6.353 1.00 0.00 C ATOM 609 OE1 GLU A 39 11.242 14.201 -7.510 1.00 0.00 O ATOM 610 OE2 GLU A 39 12.422 13.184 -6.020 1.00 0.00 O ATOM 0 H GLU A 39 10.773 17.319 -4.958 1.00 0.00 H new ATOM 0 HA GLU A 39 7.957 16.699 -5.239 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.796 14.635 -6.219 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.853 15.927 -6.753 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.360 15.352 -4.718 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.387 13.908 -4.522 1.00 0.00 H new ATOM 617 N ARG A 40 9.513 15.519 -2.621 1.00 0.00 N ATOM 618 CA ARG A 40 9.229 14.768 -1.366 1.00 0.00 C ATOM 619 C ARG A 40 7.998 15.364 -0.668 1.00 0.00 C ATOM 620 O ARG A 40 7.085 14.655 -0.285 1.00 0.00 O ATOM 621 CB ARG A 40 10.447 14.817 -0.430 1.00 0.00 C ATOM 622 CG ARG A 40 10.593 16.203 0.206 1.00 0.00 C ATOM 623 CD ARG A 40 11.935 16.286 0.933 1.00 0.00 C ATOM 624 NE ARG A 40 13.047 15.965 -0.006 1.00 0.00 N ATOM 625 CZ ARG A 40 14.271 16.287 0.308 1.00 0.00 C ATOM 626 NH1 ARG A 40 14.522 16.853 1.455 1.00 0.00 N ATOM 627 NH2 ARG A 40 15.251 16.027 -0.514 1.00 0.00 N ATOM 0 H ARG A 40 10.421 15.982 -2.667 1.00 0.00 H new ATOM 0 HA ARG A 40 9.025 13.727 -1.615 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.341 14.064 0.351 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.350 14.572 -0.989 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.533 16.976 -0.560 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.776 16.383 0.905 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.073 17.286 1.344 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.946 15.591 1.773 1.00 0.00 H new ATOM 0 HE ARG A 40 12.852 15.496 -0.890 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.761 17.044 2.107 1.00 0.00 H new ATOM 0 HH12 ARG A 40 15.479 17.105 1.701 1.00 0.00 H new ATOM 0 HH21 ARG A 40 15.061 15.570 -1.406 1.00 0.00 H new ATOM 0 HH22 ARG A 40 16.207 16.281 -0.264 1.00 0.00 H new ATOM 641 N GLN A 41 7.966 16.660 -0.492 1.00 0.00 N ATOM 642 CA GLN A 41 6.796 17.285 0.193 1.00 0.00 C ATOM 643 C GLN A 41 5.590 17.355 -0.742 1.00 0.00 C ATOM 644 O GLN A 41 4.480 17.052 -0.359 1.00 0.00 O ATOM 645 CB GLN A 41 7.163 18.698 0.665 1.00 0.00 C ATOM 646 CG GLN A 41 7.544 19.572 -0.531 1.00 0.00 C ATOM 647 CD GLN A 41 8.136 20.888 -0.027 1.00 0.00 C ATOM 648 OE1 GLN A 41 8.834 20.915 0.967 1.00 0.00 O ATOM 649 NE2 GLN A 41 7.880 21.990 -0.677 1.00 0.00 N ATOM 0 H GLN A 41 8.694 17.308 -0.791 1.00 0.00 H new ATOM 0 HA GLN A 41 6.533 16.668 1.052 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.321 19.142 1.196 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.994 18.650 1.369 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.267 19.052 -1.160 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.667 19.767 -1.148 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.294 21.966 -1.511 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.266 22.876 -0.351 1.00 0.00 H new ATOM 658 N THR A 42 5.790 17.744 -1.964 1.00 0.00 N ATOM 659 CA THR A 42 4.638 17.848 -2.887 1.00 0.00 C ATOM 660 C THR A 42 3.991 16.473 -3.027 1.00 0.00 C ATOM 661 O THR A 42 2.785 16.350 -3.121 1.00 0.00 O ATOM 662 CB THR A 42 5.115 18.370 -4.252 1.00 0.00 C ATOM 663 OG1 THR A 42 5.788 19.612 -4.069 1.00 0.00 O ATOM 664 CG2 THR A 42 3.903 18.576 -5.157 1.00 0.00 C ATOM 0 H THR A 42 6.696 17.993 -2.361 1.00 0.00 H new ATOM 0 HA THR A 42 3.901 18.548 -2.493 1.00 0.00 H new ATOM 0 HB THR A 42 5.796 17.651 -4.708 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.363 19.790 -4.843 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.233 18.946 -6.128 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.382 17.628 -5.288 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.228 19.301 -4.702 1.00 0.00 H new ATOM 672 N ARG A 43 4.768 15.437 -3.040 1.00 0.00 N ATOM 673 CA ARG A 43 4.168 14.092 -3.169 1.00 0.00 C ATOM 674 C ARG A 43 3.223 13.806 -2.002 1.00 0.00 C ATOM 675 O ARG A 43 2.104 13.391 -2.199 1.00 0.00 O ATOM 676 CB ARG A 43 5.278 13.038 -3.182 1.00 0.00 C ATOM 677 CG ARG A 43 4.681 11.640 -3.431 1.00 0.00 C ATOM 678 CD ARG A 43 4.142 11.017 -2.129 1.00 0.00 C ATOM 679 NE ARG A 43 4.230 9.537 -2.239 1.00 0.00 N ATOM 680 CZ ARG A 43 4.005 8.794 -1.199 1.00 0.00 C ATOM 681 NH1 ARG A 43 3.774 9.352 -0.043 1.00 0.00 N ATOM 682 NH2 ARG A 43 4.000 7.495 -1.317 1.00 0.00 N ATOM 0 H ARG A 43 5.785 15.462 -2.967 1.00 0.00 H new ATOM 0 HA ARG A 43 3.601 14.054 -4.099 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.005 13.275 -3.959 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.812 13.050 -2.232 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.876 11.712 -4.162 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.443 10.989 -3.859 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.720 11.368 -1.274 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.109 11.323 -1.962 1.00 0.00 H new ATOM 0 HE ARG A 43 4.467 9.105 -3.132 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.771 10.369 0.041 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.597 8.772 0.777 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.173 7.065 -2.226 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.823 6.909 -0.501 1.00 0.00 H new ATOM 696 N PHE A 44 3.659 13.976 -0.788 1.00 0.00 N ATOM 697 CA PHE A 44 2.763 13.649 0.355 1.00 0.00 C ATOM 698 C PHE A 44 1.483 14.476 0.338 1.00 0.00 C ATOM 699 O PHE A 44 0.408 13.955 0.522 1.00 0.00 O ATOM 700 CB PHE A 44 3.502 13.887 1.668 1.00 0.00 C ATOM 701 CG PHE A 44 4.686 12.937 1.767 1.00 0.00 C ATOM 702 CD1 PHE A 44 4.494 11.541 1.764 1.00 0.00 C ATOM 703 CD2 PHE A 44 5.984 13.455 1.849 1.00 0.00 C ATOM 704 CE1 PHE A 44 5.604 10.681 1.844 1.00 0.00 C ATOM 705 CE2 PHE A 44 7.085 12.596 1.925 1.00 0.00 C ATOM 706 CZ PHE A 44 6.898 11.212 1.924 1.00 0.00 C ATOM 0 H PHE A 44 4.585 14.323 -0.538 1.00 0.00 H new ATOM 0 HA PHE A 44 2.482 12.600 0.262 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.846 14.920 1.721 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.827 13.732 2.510 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.496 11.132 1.700 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.136 14.524 1.854 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.459 9.611 1.844 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.083 13.004 1.985 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.750 10.552 1.985 1.00 0.00 H new ATOM 716 N GLN A 45 1.572 15.754 0.142 1.00 0.00 N ATOM 717 CA GLN A 45 0.325 16.563 0.150 1.00 0.00 C ATOM 718 C GLN A 45 -0.545 16.226 -1.063 1.00 0.00 C ATOM 719 O GLN A 45 -1.693 15.871 -0.916 1.00 0.00 O ATOM 720 CB GLN A 45 0.681 18.056 0.185 1.00 0.00 C ATOM 721 CG GLN A 45 1.780 18.403 -0.847 1.00 0.00 C ATOM 722 CD GLN A 45 2.808 19.335 -0.196 1.00 0.00 C ATOM 723 OE1 GLN A 45 2.942 20.479 -0.581 1.00 0.00 O ATOM 724 NE2 GLN A 45 3.537 18.881 0.794 1.00 0.00 N ATOM 0 H GLN A 45 2.437 16.270 -0.021 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.253 16.324 1.042 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.211 18.648 -0.019 1.00 0.00 H new ATOM 0 HB3 GLN A 45 1.021 18.326 1.185 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.267 17.493 -1.197 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.337 18.883 -1.720 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.421 17.919 1.114 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.221 19.489 1.245 1.00 0.00 H new ATOM 733 N ASN A 46 -0.022 16.324 -2.257 1.00 0.00 N ATOM 734 CA ASN A 46 -0.857 15.990 -3.455 1.00 0.00 C ATOM 735 C ASN A 46 -1.261 14.519 -3.441 1.00 0.00 C ATOM 736 O ASN A 46 -2.311 14.151 -3.940 1.00 0.00 O ATOM 737 CB ASN A 46 -0.111 16.311 -4.752 1.00 0.00 C ATOM 738 CG ASN A 46 1.035 15.324 -4.975 1.00 0.00 C ATOM 739 OD1 ASN A 46 1.381 14.571 -4.093 1.00 0.00 O ATOM 740 ND2 ASN A 46 1.640 15.303 -6.130 1.00 0.00 N ATOM 0 H ASN A 46 0.935 16.617 -2.456 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.757 16.603 -3.410 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.802 16.270 -5.594 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.281 17.327 -4.710 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.407 14.651 -6.292 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.346 15.939 -6.871 1.00 0.00 H new ATOM 747 N ALA A 47 -0.454 13.669 -2.876 1.00 0.00 N ATOM 748 CA ALA A 47 -0.819 12.228 -2.858 1.00 0.00 C ATOM 749 C ALA A 47 -1.804 11.977 -1.716 1.00 0.00 C ATOM 750 O ALA A 47 -2.653 11.113 -1.801 1.00 0.00 O ATOM 751 CB ALA A 47 0.428 11.370 -2.650 1.00 0.00 C ATOM 0 H ALA A 47 0.433 13.905 -2.431 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.276 11.961 -3.811 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.147 10.317 -2.639 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.132 11.549 -3.462 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.895 11.631 -1.700 1.00 0.00 H new ATOM 757 N CYS A 48 -1.705 12.715 -0.643 1.00 0.00 N ATOM 758 CA CYS A 48 -2.655 12.474 0.475 1.00 0.00 C ATOM 759 C CYS A 48 -4.091 12.865 0.080 1.00 0.00 C ATOM 760 O CYS A 48 -5.027 12.168 0.421 1.00 0.00 O ATOM 761 CB CYS A 48 -2.234 13.253 1.718 1.00 0.00 C ATOM 762 SG CYS A 48 -2.565 15.017 1.488 1.00 0.00 S ATOM 0 H CYS A 48 -1.022 13.458 -0.495 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.635 11.407 0.698 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.776 12.884 2.589 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.173 13.096 1.913 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.208 15.373 0.290 1.00 0.00 H new ATOM 768 N ARG A 49 -4.296 13.951 -0.647 1.00 0.00 N ATOM 769 CA ARG A 49 -5.701 14.300 -1.031 1.00 0.00 C ATOM 770 C ARG A 49 -6.243 13.176 -1.915 1.00 0.00 C ATOM 771 O ARG A 49 -7.319 12.660 -1.683 1.00 0.00 O ATOM 772 CB ARG A 49 -5.774 15.668 -1.741 1.00 0.00 C ATOM 773 CG ARG A 49 -4.561 15.879 -2.662 1.00 0.00 C ATOM 774 CD ARG A 49 -4.780 17.113 -3.583 1.00 0.00 C ATOM 775 NE ARG A 49 -3.585 18.025 -3.524 1.00 0.00 N ATOM 776 CZ ARG A 49 -3.151 18.515 -2.391 1.00 0.00 C ATOM 777 NH1 ARG A 49 -3.811 18.293 -1.288 1.00 0.00 N ATOM 778 NH2 ARG A 49 -2.053 19.229 -2.366 1.00 0.00 N ATOM 0 H ARG A 49 -3.572 14.588 -0.979 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.315 14.393 -0.135 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.693 15.730 -2.324 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.814 16.465 -0.998 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.662 16.022 -2.062 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.400 14.989 -3.270 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.946 16.785 -4.609 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.674 17.653 -3.273 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.101 18.267 -4.389 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.666 17.737 -1.308 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.472 18.675 -0.405 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.538 19.402 -3.229 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.713 19.612 -1.484 1.00 0.00 H new ATOM 792 N ASP A 50 -5.469 12.726 -2.867 1.00 0.00 N ATOM 793 CA ASP A 50 -5.898 11.558 -3.697 1.00 0.00 C ATOM 794 C ASP A 50 -5.194 10.364 -3.058 1.00 0.00 C ATOM 795 O ASP A 50 -4.126 9.951 -3.464 1.00 0.00 O ATOM 796 CB ASP A 50 -5.452 11.731 -5.152 1.00 0.00 C ATOM 797 CG ASP A 50 -3.965 12.035 -5.173 1.00 0.00 C ATOM 798 OD1 ASP A 50 -3.400 12.096 -4.104 1.00 0.00 O ATOM 799 OD2 ASP A 50 -3.420 12.199 -6.251 1.00 0.00 O ATOM 0 H ASP A 50 -4.558 13.116 -3.107 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.981 11.442 -3.722 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.660 10.825 -5.721 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.010 12.540 -5.624 1.00 0.00 H new ATOM 804 N GLY A 51 -5.773 9.858 -2.014 1.00 0.00 N ATOM 805 CA GLY A 51 -5.154 8.741 -1.250 1.00 0.00 C ATOM 806 C GLY A 51 -5.032 7.493 -2.110 1.00 0.00 C ATOM 807 O GLY A 51 -4.712 6.427 -1.619 1.00 0.00 O ATOM 0 H GLY A 51 -6.670 10.177 -1.647 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.168 9.041 -0.896 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.756 8.522 -0.368 1.00 0.00 H new ATOM 811 N ARG A 52 -5.254 7.607 -3.390 1.00 0.00 N ATOM 812 CA ARG A 52 -5.116 6.414 -4.264 1.00 0.00 C ATOM 813 C ARG A 52 -3.684 6.420 -4.809 1.00 0.00 C ATOM 814 O ARG A 52 -3.414 6.828 -5.919 1.00 0.00 O ATOM 815 CB ARG A 52 -6.132 6.521 -5.407 1.00 0.00 C ATOM 816 CG ARG A 52 -7.548 6.605 -4.818 1.00 0.00 C ATOM 817 CD ARG A 52 -8.578 6.420 -5.933 1.00 0.00 C ATOM 818 NE ARG A 52 -9.939 6.300 -5.321 1.00 0.00 N ATOM 819 CZ ARG A 52 -11.010 6.278 -6.077 1.00 0.00 C ATOM 820 NH1 ARG A 52 -10.895 6.371 -7.372 1.00 0.00 N ATOM 821 NH2 ARG A 52 -12.199 6.159 -5.540 1.00 0.00 N ATOM 0 H ARG A 52 -5.523 8.469 -3.864 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.305 5.487 -3.722 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.924 7.403 -6.013 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.050 5.656 -6.065 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.682 5.838 -4.055 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.694 7.569 -4.331 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.547 7.266 -6.619 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.347 5.528 -6.516 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.034 6.235 -4.308 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.972 6.461 -7.797 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.728 6.354 -7.961 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.296 6.083 -4.527 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.028 6.143 -6.134 1.00 0.00 H new ATOM 835 N SER A 53 -2.764 5.996 -3.988 1.00 0.00 N ATOM 836 CA SER A 53 -1.323 5.990 -4.373 1.00 0.00 C ATOM 837 C SER A 53 -0.963 4.762 -5.205 1.00 0.00 C ATOM 838 O SER A 53 -1.603 3.735 -5.129 1.00 0.00 O ATOM 839 CB SER A 53 -0.494 6.007 -3.087 1.00 0.00 C ATOM 840 OG SER A 53 0.740 5.338 -3.297 1.00 0.00 O ATOM 0 H SER A 53 -2.953 5.647 -3.049 1.00 0.00 H new ATOM 0 HA SER A 53 -1.114 6.866 -4.987 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.311 7.036 -2.776 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.047 5.524 -2.282 1.00 0.00 H new ATOM 0 HG SER A 53 1.456 5.998 -3.406 1.00 0.00 H new ATOM 846 N GLU A 54 0.094 4.857 -5.975 1.00 0.00 N ATOM 847 CA GLU A 54 0.554 3.699 -6.786 1.00 0.00 C ATOM 848 C GLU A 54 2.021 3.468 -6.435 1.00 0.00 C ATOM 849 O GLU A 54 2.809 4.392 -6.408 1.00 0.00 O ATOM 850 CB GLU A 54 0.406 4.025 -8.269 1.00 0.00 C ATOM 851 CG GLU A 54 -1.078 4.226 -8.591 1.00 0.00 C ATOM 852 CD GLU A 54 -1.242 4.526 -10.084 1.00 0.00 C ATOM 853 OE1 GLU A 54 -0.233 4.697 -10.748 1.00 0.00 O ATOM 854 OE2 GLU A 54 -2.375 4.574 -10.540 1.00 0.00 O ATOM 0 H GLU A 54 0.660 5.700 -6.073 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.035 2.806 -6.577 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.970 4.925 -8.514 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.816 3.217 -8.875 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.643 3.333 -8.325 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.482 5.047 -7.998 1.00 0.00 H new ATOM 861 N ILE A 55 2.397 2.256 -6.144 1.00 0.00 N ATOM 862 CA ILE A 55 3.818 1.988 -5.771 1.00 0.00 C ATOM 863 C ILE A 55 4.210 0.598 -6.220 1.00 0.00 C ATOM 864 O ILE A 55 3.375 -0.243 -6.488 1.00 0.00 O ATOM 865 CB ILE A 55 3.986 2.127 -4.251 1.00 0.00 C ATOM 866 CG1 ILE A 55 5.356 1.581 -3.808 1.00 0.00 C ATOM 867 CG2 ILE A 55 2.881 1.363 -3.526 1.00 0.00 C ATOM 868 CD1 ILE A 55 5.737 2.124 -2.418 1.00 0.00 C ATOM 0 H ILE A 55 1.786 1.439 -6.147 1.00 0.00 H new ATOM 0 HA ILE A 55 4.467 2.711 -6.265 1.00 0.00 H new ATOM 0 HB ILE A 55 3.923 3.185 -3.997 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.328 0.492 -3.783 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.118 1.863 -4.535 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.011 1.469 -2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.910 1.765 -3.816 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.931 0.308 -3.795 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.708 1.725 -2.125 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.787 3.212 -2.454 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.985 1.819 -1.690 1.00 0.00 H new ATOM 880 N ALA A 56 5.483 0.358 -6.325 1.00 0.00 N ATOM 881 CA ALA A 56 5.951 -0.982 -6.783 1.00 0.00 C ATOM 882 C ALA A 56 7.238 -1.372 -6.075 1.00 0.00 C ATOM 883 O ALA A 56 7.884 -0.568 -5.436 1.00 0.00 O ATOM 884 CB ALA A 56 6.220 -0.929 -8.284 1.00 0.00 C ATOM 0 H ALA A 56 6.222 1.029 -6.115 1.00 0.00 H new ATOM 0 HA ALA A 56 5.180 -1.718 -6.554 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.563 -1.905 -8.627 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.303 -0.661 -8.809 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.987 -0.182 -8.490 1.00 0.00 H new ATOM 890 N PHE A 57 7.628 -2.606 -6.215 1.00 0.00 N ATOM 891 CA PHE A 57 8.891 -3.063 -5.583 1.00 0.00 C ATOM 892 C PHE A 57 10.040 -2.767 -6.560 1.00 0.00 C ATOM 893 O PHE A 57 10.005 -3.168 -7.701 1.00 0.00 O ATOM 894 CB PHE A 57 8.811 -4.570 -5.349 1.00 0.00 C ATOM 895 CG PHE A 57 7.726 -4.913 -4.342 1.00 0.00 C ATOM 896 CD1 PHE A 57 7.955 -4.718 -2.973 1.00 0.00 C ATOM 897 CD2 PHE A 57 6.510 -5.470 -4.772 1.00 0.00 C ATOM 898 CE1 PHE A 57 6.970 -5.075 -2.039 1.00 0.00 C ATOM 899 CE2 PHE A 57 5.532 -5.830 -3.832 1.00 0.00 C ATOM 900 CZ PHE A 57 5.763 -5.633 -2.471 1.00 0.00 C ATOM 0 H PHE A 57 7.124 -3.319 -6.742 1.00 0.00 H new ATOM 0 HA PHE A 57 9.054 -2.554 -4.633 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.609 -5.077 -6.292 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.773 -4.937 -4.990 1.00 0.00 H new ATOM 0 HD1 PHE A 57 8.889 -4.293 -2.637 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.328 -5.621 -5.826 1.00 0.00 H new ATOM 0 HE1 PHE A 57 7.145 -4.918 -0.985 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.599 -6.260 -4.163 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.009 -5.912 -1.750 1.00 0.00 H new ATOM 910 N VAL A 58 11.049 -2.056 -6.140 1.00 0.00 N ATOM 911 CA VAL A 58 12.165 -1.748 -7.079 1.00 0.00 C ATOM 912 C VAL A 58 12.809 -3.053 -7.585 1.00 0.00 C ATOM 913 O VAL A 58 13.158 -3.177 -8.742 1.00 0.00 O ATOM 914 CB VAL A 58 13.204 -0.873 -6.360 1.00 0.00 C ATOM 915 CG1 VAL A 58 14.404 -0.640 -7.271 1.00 0.00 C ATOM 916 CG2 VAL A 58 12.585 0.487 -6.010 1.00 0.00 C ATOM 0 H VAL A 58 11.150 -1.678 -5.198 1.00 0.00 H new ATOM 0 HA VAL A 58 11.778 -1.205 -7.941 1.00 0.00 H new ATOM 0 HB VAL A 58 13.521 -1.383 -5.451 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.137 -0.019 -6.756 1.00 0.00 H new ATOM 0 HG12 VAL A 58 14.857 -1.598 -7.529 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.078 -0.136 -8.181 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.326 1.104 -5.500 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.264 0.987 -6.924 1.00 0.00 H new ATOM 0 HG23 VAL A 58 11.725 0.338 -5.357 1.00 0.00 H new ATOM 926 N ALA A 59 12.983 -4.021 -6.724 1.00 0.00 N ATOM 927 CA ALA A 59 13.616 -5.313 -7.153 1.00 0.00 C ATOM 928 C ALA A 59 12.810 -6.004 -8.258 1.00 0.00 C ATOM 929 O ALA A 59 13.371 -6.557 -9.182 1.00 0.00 O ATOM 930 CB ALA A 59 13.705 -6.260 -5.963 1.00 0.00 C ATOM 0 H ALA A 59 12.715 -3.977 -5.741 1.00 0.00 H new ATOM 0 HA ALA A 59 14.608 -5.077 -7.539 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.165 -7.197 -6.277 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.310 -5.804 -5.179 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.704 -6.458 -5.580 1.00 0.00 H new ATOM 936 N THR A 60 11.504 -6.006 -8.152 1.00 0.00 N ATOM 937 CA THR A 60 10.650 -6.693 -9.180 1.00 0.00 C ATOM 938 C THR A 60 9.773 -5.658 -9.891 1.00 0.00 C ATOM 939 O THR A 60 9.351 -4.687 -9.307 1.00 0.00 O ATOM 940 CB THR A 60 9.758 -7.730 -8.493 1.00 0.00 C ATOM 941 OG1 THR A 60 10.554 -8.548 -7.650 1.00 0.00 O ATOM 942 CG2 THR A 60 9.090 -8.608 -9.556 1.00 0.00 C ATOM 0 H THR A 60 10.987 -5.560 -7.395 1.00 0.00 H new ATOM 0 HA THR A 60 11.290 -7.190 -9.909 1.00 0.00 H new ATOM 0 HB THR A 60 8.996 -7.222 -7.902 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.482 -9.482 -7.938 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.454 -9.348 -9.070 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.484 -7.985 -10.214 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.856 -9.117 -10.141 1.00 0.00 H new ATOM 950 N GLY A 61 9.497 -5.857 -11.150 1.00 0.00 N ATOM 951 CA GLY A 61 8.652 -4.873 -11.890 1.00 0.00 C ATOM 952 C GLY A 61 7.188 -5.000 -11.456 1.00 0.00 C ATOM 953 O GLY A 61 6.307 -4.387 -12.025 1.00 0.00 O ATOM 0 H GLY A 61 9.818 -6.655 -11.699 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.009 -3.861 -11.700 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.737 -5.044 -12.963 1.00 0.00 H new ATOM 957 N THR A 62 6.924 -5.789 -10.454 1.00 0.00 N ATOM 958 CA THR A 62 5.520 -5.963 -9.976 1.00 0.00 C ATOM 959 C THR A 62 5.019 -4.654 -9.358 1.00 0.00 C ATOM 960 O THR A 62 5.758 -3.971 -8.682 1.00 0.00 O ATOM 961 CB THR A 62 5.504 -7.062 -8.916 1.00 0.00 C ATOM 962 OG1 THR A 62 5.882 -8.295 -9.509 1.00 0.00 O ATOM 963 CG2 THR A 62 4.108 -7.184 -8.313 1.00 0.00 C ATOM 0 H THR A 62 7.623 -6.326 -9.940 1.00 0.00 H new ATOM 0 HA THR A 62 4.873 -6.233 -10.811 1.00 0.00 H new ATOM 0 HB THR A 62 6.209 -6.809 -8.124 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.874 -9.001 -8.829 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.105 -7.970 -7.558 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.827 -6.237 -7.852 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.393 -7.432 -9.098 1.00 0.00 H new ATOM 971 N ASN A 63 3.771 -4.294 -9.570 1.00 0.00 N ATOM 972 CA ASN A 63 3.247 -3.017 -8.973 1.00 0.00 C ATOM 973 C ASN A 63 1.897 -3.274 -8.299 1.00 0.00 C ATOM 974 O ASN A 63 1.141 -4.135 -8.701 1.00 0.00 O ATOM 975 CB ASN A 63 3.073 -1.971 -10.075 1.00 0.00 C ATOM 976 CG ASN A 63 2.008 -2.457 -11.050 1.00 0.00 C ATOM 977 OD1 ASN A 63 2.292 -2.708 -12.205 1.00 0.00 O ATOM 978 ND2 ASN A 63 0.789 -2.623 -10.622 1.00 0.00 N ATOM 0 H ASN A 63 3.098 -4.823 -10.125 1.00 0.00 H new ATOM 0 HA ASN A 63 3.957 -2.652 -8.231 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.781 -1.014 -9.644 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.017 -1.811 -10.596 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.068 -2.965 -11.257 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.556 -2.411 -9.652 1.00 0.00 H new ATOM 985 N LEU A 64 1.596 -2.522 -7.269 1.00 0.00 N ATOM 986 CA LEU A 64 0.299 -2.692 -6.541 1.00 0.00 C ATOM 987 C LEU A 64 -0.323 -1.321 -6.283 1.00 0.00 C ATOM 988 O LEU A 64 0.357 -0.392 -5.901 1.00 0.00 O ATOM 989 CB LEU A 64 0.571 -3.371 -5.193 1.00 0.00 C ATOM 990 CG LEU A 64 1.210 -4.750 -5.413 1.00 0.00 C ATOM 991 CD1 LEU A 64 1.698 -5.307 -4.071 1.00 0.00 C ATOM 992 CD2 LEU A 64 0.174 -5.716 -6.003 1.00 0.00 C ATOM 0 H LEU A 64 2.200 -1.789 -6.897 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.380 -3.298 -7.140 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.232 -2.748 -4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.360 -3.478 -4.637 1.00 0.00 H new ATOM 0 HG LEU A 64 2.049 -4.647 -6.101 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.152 -6.286 -4.227 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.436 -4.629 -3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.854 -5.403 -3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.633 -6.692 -6.157 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.665 -5.814 -5.315 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.183 -5.328 -6.957 1.00 0.00 H new ATOM 1004 N SER A 65 -1.616 -1.193 -6.464 1.00 0.00 N ATOM 1005 CA SER A 65 -2.298 0.114 -6.204 1.00 0.00 C ATOM 1006 C SER A 65 -3.169 -0.024 -4.955 1.00 0.00 C ATOM 1007 O SER A 65 -3.821 -1.030 -4.755 1.00 0.00 O ATOM 1008 CB SER A 65 -3.175 0.483 -7.402 1.00 0.00 C ATOM 1009 OG SER A 65 -2.346 0.726 -8.530 1.00 0.00 O ATOM 0 H SER A 65 -2.231 -1.942 -6.782 1.00 0.00 H new ATOM 0 HA SER A 65 -1.554 0.896 -6.053 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.875 -0.324 -7.617 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.769 1.368 -7.174 1.00 0.00 H new ATOM 0 HG SER A 65 -2.903 0.961 -9.301 1.00 0.00 H new ATOM 1015 N LEU A 66 -3.175 0.980 -4.107 1.00 0.00 N ATOM 1016 CA LEU A 66 -3.993 0.913 -2.848 1.00 0.00 C ATOM 1017 C LEU A 66 -4.711 2.248 -2.581 1.00 0.00 C ATOM 1018 O LEU A 66 -4.365 3.286 -3.123 1.00 0.00 O ATOM 1019 CB LEU A 66 -3.094 0.543 -1.656 1.00 0.00 C ATOM 1020 CG LEU A 66 -1.691 1.171 -1.782 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -0.850 0.498 -2.895 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -1.800 2.682 -2.024 1.00 0.00 C ATOM 0 H LEU A 66 -2.648 1.845 -4.232 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.753 0.142 -2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.561 0.879 -0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.003 -0.541 -1.592 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.171 1.001 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.130 0.972 -2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.729 -0.561 -2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.359 0.609 -3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.801 3.110 -2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.354 2.864 -2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.323 3.148 -1.188 1.00 0.00 H new ATOM 1034 N GLN A 67 -5.738 2.215 -1.754 1.00 0.00 N ATOM 1035 CA GLN A 67 -6.514 3.460 -1.462 1.00 0.00 C ATOM 1036 C GLN A 67 -6.924 3.490 0.015 1.00 0.00 C ATOM 1037 O GLN A 67 -7.715 2.684 0.462 1.00 0.00 O ATOM 1038 CB GLN A 67 -7.785 3.430 -2.304 1.00 0.00 C ATOM 1039 CG GLN A 67 -7.428 3.093 -3.748 1.00 0.00 C ATOM 1040 CD GLN A 67 -8.671 3.222 -4.623 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -9.477 4.109 -4.424 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -8.860 2.371 -5.591 1.00 0.00 N ATOM 0 H GLN A 67 -6.067 1.378 -1.272 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.903 4.334 -1.689 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.480 2.690 -1.907 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.288 4.396 -2.258 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.647 3.763 -4.107 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.031 2.080 -3.809 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.182 1.627 -5.756 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.686 2.448 -6.184 1.00 0.00 H new ATOM 1051 N PHE A 68 -6.403 4.417 0.774 1.00 0.00 N ATOM 1052 CA PHE A 68 -6.776 4.506 2.226 1.00 0.00 C ATOM 1053 C PHE A 68 -7.928 5.502 2.436 1.00 0.00 C ATOM 1054 O PHE A 68 -9.043 5.128 2.741 1.00 0.00 O ATOM 1055 CB PHE A 68 -5.554 4.963 3.044 1.00 0.00 C ATOM 1056 CG PHE A 68 -4.642 5.774 2.162 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -3.849 5.126 1.210 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -4.591 7.164 2.295 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -3.000 5.875 0.387 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -3.744 7.911 1.475 1.00 0.00 C ATOM 1061 CZ PHE A 68 -2.946 7.268 0.521 1.00 0.00 C ATOM 0 H PHE A 68 -5.735 5.119 0.456 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.102 3.520 2.559 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.876 5.558 3.899 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.022 4.098 3.439 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.891 4.051 1.110 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.206 7.660 3.031 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.387 5.379 -0.351 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.704 8.985 1.576 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.289 7.846 -0.112 1.00 0.00 H new ATOM 1071 N PHE A 69 -7.640 6.774 2.299 1.00 0.00 N ATOM 1072 CA PHE A 69 -8.684 7.831 2.510 1.00 0.00 C ATOM 1073 C PHE A 69 -8.432 9.006 1.554 1.00 0.00 C ATOM 1074 O PHE A 69 -7.791 9.973 1.915 1.00 0.00 O ATOM 1075 CB PHE A 69 -8.614 8.343 3.965 1.00 0.00 C ATOM 1076 CG PHE A 69 -9.731 9.338 4.232 1.00 0.00 C ATOM 1077 CD1 PHE A 69 -11.069 8.926 4.165 1.00 0.00 C ATOM 1078 CD2 PHE A 69 -9.431 10.676 4.551 1.00 0.00 C ATOM 1079 CE1 PHE A 69 -12.100 9.842 4.410 1.00 0.00 C ATOM 1080 CE2 PHE A 69 -10.465 11.588 4.797 1.00 0.00 C ATOM 1081 CZ PHE A 69 -11.798 11.170 4.726 1.00 0.00 C ATOM 0 H PHE A 69 -6.718 7.130 2.048 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.668 7.404 2.315 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.693 7.504 4.656 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.648 8.815 4.145 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.306 7.900 3.924 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.402 11.000 4.606 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.130 9.522 4.355 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.233 12.614 5.042 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.595 11.874 4.916 1.00 0.00 H new ATOM 1091 N PRO A 70 -8.940 8.934 0.351 1.00 0.00 N ATOM 1092 CA PRO A 70 -8.783 10.016 -0.657 1.00 0.00 C ATOM 1093 C PRO A 70 -9.915 11.047 -0.578 1.00 0.00 C ATOM 1094 O PRO A 70 -11.030 10.722 -0.220 1.00 0.00 O ATOM 1095 CB PRO A 70 -8.844 9.245 -1.972 1.00 0.00 C ATOM 1096 CG PRO A 70 -9.811 8.126 -1.706 1.00 0.00 C ATOM 1097 CD PRO A 70 -9.708 7.803 -0.202 1.00 0.00 C ATOM 0 HA PRO A 70 -7.870 10.595 -0.520 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -9.186 9.880 -2.789 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.863 8.863 -2.254 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.827 8.421 -1.970 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.566 7.251 -2.308 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.693 7.726 0.258 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.201 6.854 -0.031 1.00 0.00 H new ATOM 1105 N ALA A 71 -9.652 12.289 -0.909 1.00 0.00 N ATOM 1106 CA ALA A 71 -10.744 13.300 -0.840 1.00 0.00 C ATOM 1107 C ALA A 71 -11.883 12.842 -1.750 1.00 0.00 C ATOM 1108 O ALA A 71 -13.008 12.686 -1.320 1.00 0.00 O ATOM 1109 CB ALA A 71 -10.211 14.671 -1.297 1.00 0.00 C ATOM 0 H ALA A 71 -8.745 12.638 -1.218 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.108 13.396 0.183 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.012 15.408 -1.245 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.392 14.978 -0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.851 14.598 -2.323 1.00 0.00 H new ATOM 1115 N SER A 72 -11.595 12.596 -2.995 1.00 0.00 N ATOM 1116 CA SER A 72 -12.654 12.116 -3.925 1.00 0.00 C ATOM 1117 C SER A 72 -12.063 12.008 -5.320 1.00 0.00 C ATOM 1118 O SER A 72 -12.230 12.881 -6.147 1.00 0.00 O ATOM 1119 CB SER A 72 -13.825 13.090 -3.935 1.00 0.00 C ATOM 1120 OG SER A 72 -14.520 12.976 -5.168 1.00 0.00 O ATOM 0 H SER A 72 -10.670 12.706 -3.411 1.00 0.00 H new ATOM 0 HA SER A 72 -13.017 11.142 -3.597 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.498 12.876 -3.104 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.466 14.110 -3.800 1.00 0.00 H new ATOM 0 HG SER A 72 -13.923 13.225 -5.904 1.00 0.00 H new ATOM 1126 N TRP A 73 -11.363 10.956 -5.584 1.00 0.00 N ATOM 1127 CA TRP A 73 -10.745 10.801 -6.919 1.00 0.00 C ATOM 1128 C TRP A 73 -11.826 10.653 -7.998 1.00 0.00 C ATOM 1129 O TRP A 73 -11.704 11.188 -9.082 1.00 0.00 O ATOM 1130 CB TRP A 73 -9.870 9.559 -6.907 1.00 0.00 C ATOM 1131 CG TRP A 73 -9.098 9.489 -8.179 1.00 0.00 C ATOM 1132 CD1 TRP A 73 -9.269 8.552 -9.135 1.00 0.00 C ATOM 1133 CD2 TRP A 73 -8.054 10.382 -8.662 1.00 0.00 C ATOM 1134 NE1 TRP A 73 -8.392 8.804 -10.170 1.00 0.00 N ATOM 1135 CE2 TRP A 73 -7.620 9.920 -9.925 1.00 0.00 C ATOM 1136 CE3 TRP A 73 -7.441 11.533 -8.131 1.00 0.00 C ATOM 1137 CZ2 TRP A 73 -6.618 10.574 -10.638 1.00 0.00 C ATOM 1138 CZ3 TRP A 73 -6.431 12.193 -8.847 1.00 0.00 C ATOM 1139 CH2 TRP A 73 -6.021 11.714 -10.097 1.00 0.00 C ATOM 0 H TRP A 73 -11.189 10.191 -4.932 1.00 0.00 H new ATOM 0 HA TRP A 73 -10.148 11.685 -7.145 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.189 9.588 -6.056 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -10.486 8.667 -6.792 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -9.977 7.737 -9.096 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -8.323 8.234 -11.013 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -7.750 11.910 -7.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -6.305 10.202 -11.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -5.967 13.075 -8.432 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -5.243 12.227 -10.643 1.00 0.00 H new ATOM 1150 N GLN A 74 -12.872 9.918 -7.716 1.00 0.00 N ATOM 1151 CA GLN A 74 -13.955 9.725 -8.731 1.00 0.00 C ATOM 1152 C GLN A 74 -14.838 10.973 -8.816 1.00 0.00 C ATOM 1153 O GLN A 74 -15.470 11.221 -9.823 1.00 0.00 O ATOM 1154 CB GLN A 74 -14.812 8.522 -8.315 1.00 0.00 C ATOM 1155 CG GLN A 74 -13.976 7.240 -8.343 1.00 0.00 C ATOM 1156 CD GLN A 74 -13.452 6.969 -9.758 1.00 0.00 C ATOM 1157 OE1 GLN A 74 -14.185 7.069 -10.724 1.00 0.00 O ATOM 1158 NE2 GLN A 74 -12.208 6.611 -9.920 1.00 0.00 N ATOM 0 H GLN A 74 -13.024 9.442 -6.826 1.00 0.00 H new ATOM 0 HA GLN A 74 -13.505 9.550 -9.708 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -15.213 8.681 -7.314 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -15.664 8.424 -8.988 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -13.139 7.330 -7.650 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -14.580 6.398 -8.005 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -11.592 6.527 -9.111 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.851 6.415 -10.855 1.00 0.00 H new ATOM 1167 N GLY A 75 -14.878 11.769 -7.777 1.00 0.00 N ATOM 1168 CA GLY A 75 -15.709 13.015 -7.806 1.00 0.00 C ATOM 1169 C GLY A 75 -14.779 14.219 -7.940 1.00 0.00 C ATOM 1170 O GLY A 75 -13.638 14.090 -8.334 1.00 0.00 O ATOM 0 H GLY A 75 -14.370 11.610 -6.907 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.409 12.983 -8.641 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.302 13.095 -6.895 1.00 0.00 H new ATOM 1174 N GLU A 76 -15.248 15.386 -7.588 1.00 0.00 N ATOM 1175 CA GLU A 76 -14.382 16.599 -7.661 1.00 0.00 C ATOM 1176 C GLU A 76 -13.665 16.739 -6.312 1.00 0.00 C ATOM 1177 O GLU A 76 -14.258 17.115 -5.322 1.00 0.00 O ATOM 1178 CB GLU A 76 -15.261 17.833 -7.914 1.00 0.00 C ATOM 1179 CG GLU A 76 -16.596 17.675 -7.166 1.00 0.00 C ATOM 1180 CD GLU A 76 -17.589 16.873 -8.019 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -17.972 17.367 -9.067 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -17.948 15.783 -7.609 1.00 0.00 O ATOM 0 H GLU A 76 -16.197 15.552 -7.252 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.656 16.512 -8.470 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.748 18.733 -7.577 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.442 17.950 -8.982 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -16.431 17.169 -6.215 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -17.012 18.656 -6.937 1.00 0.00 H new ATOM 1189 N GLN A 77 -12.407 16.406 -6.256 1.00 0.00 N ATOM 1190 CA GLN A 77 -11.671 16.481 -4.958 1.00 0.00 C ATOM 1191 C GLN A 77 -11.460 17.917 -4.496 1.00 0.00 C ATOM 1192 O GLN A 77 -11.292 18.832 -5.279 1.00 0.00 O ATOM 1193 CB GLN A 77 -10.317 15.776 -5.104 1.00 0.00 C ATOM 1194 CG GLN A 77 -9.410 16.556 -6.060 1.00 0.00 C ATOM 1195 CD GLN A 77 -8.188 15.705 -6.419 1.00 0.00 C ATOM 1196 OE1 GLN A 77 -8.319 14.548 -6.771 1.00 0.00 O ATOM 1197 NE2 GLN A 77 -6.995 16.229 -6.342 1.00 0.00 N ATOM 0 H GLN A 77 -11.854 16.085 -7.051 1.00 0.00 H new ATOM 0 HA GLN A 77 -12.277 15.985 -4.200 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.838 15.688 -4.129 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.466 14.763 -5.478 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.959 16.821 -6.963 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -9.092 17.489 -5.595 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -6.882 17.199 -6.047 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -6.176 15.669 -6.577 1.00 0.00 H new ATOM 1206 N ARG A 78 -11.435 18.107 -3.205 1.00 0.00 N ATOM 1207 CA ARG A 78 -11.200 19.461 -2.641 1.00 0.00 C ATOM 1208 C ARG A 78 -9.712 19.606 -2.345 1.00 0.00 C ATOM 1209 O ARG A 78 -8.961 18.650 -2.377 1.00 0.00 O ATOM 1210 CB ARG A 78 -12.016 19.656 -1.359 1.00 0.00 C ATOM 1211 CG ARG A 78 -13.506 19.784 -1.711 1.00 0.00 C ATOM 1212 CD ARG A 78 -14.355 19.749 -0.444 1.00 0.00 C ATOM 1213 NE ARG A 78 -15.755 20.167 -0.793 1.00 0.00 N ATOM 1214 CZ ARG A 78 -16.010 21.372 -1.243 1.00 0.00 C ATOM 1215 NH1 ARG A 78 -15.084 22.294 -1.232 1.00 0.00 N ATOM 1216 NH2 ARG A 78 -17.204 21.679 -1.671 1.00 0.00 N ATOM 0 H ARG A 78 -11.569 17.371 -2.511 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.514 20.220 -3.358 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.862 18.812 -0.686 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.678 20.549 -0.833 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.681 20.716 -2.248 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.800 18.972 -2.377 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -14.355 18.746 -0.016 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.938 20.417 0.310 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.520 19.502 -0.678 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.154 22.079 -0.871 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.291 23.229 -1.584 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -17.946 20.980 -1.657 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -17.395 22.618 -2.020 1.00 0.00 H new ATOM 1230 N GLN A 79 -9.277 20.802 -2.095 1.00 0.00 N ATOM 1231 CA GLN A 79 -7.837 21.049 -1.838 1.00 0.00 C ATOM 1232 C GLN A 79 -7.479 20.695 -0.395 1.00 0.00 C ATOM 1233 O GLN A 79 -6.342 20.815 0.019 1.00 0.00 O ATOM 1234 CB GLN A 79 -7.547 22.530 -2.097 1.00 0.00 C ATOM 1235 CG GLN A 79 -8.647 23.414 -1.458 1.00 0.00 C ATOM 1236 CD GLN A 79 -9.761 23.721 -2.474 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -9.670 24.675 -3.222 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -10.823 22.961 -2.515 1.00 0.00 N ATOM 0 H GLN A 79 -9.867 21.633 -2.057 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.236 20.424 -2.499 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.573 22.794 -1.684 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.499 22.716 -3.170 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.069 22.906 -0.591 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.209 24.345 -1.100 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.901 22.160 -1.888 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.574 23.169 -3.174 1.00 0.00 H new ATOM 1247 N THR A 80 -8.432 20.240 0.371 1.00 0.00 N ATOM 1248 CA THR A 80 -8.124 19.863 1.779 1.00 0.00 C ATOM 1249 C THR A 80 -7.458 18.475 1.752 1.00 0.00 C ATOM 1250 O THR A 80 -7.984 17.558 1.154 1.00 0.00 O ATOM 1251 CB THR A 80 -9.429 19.790 2.593 1.00 0.00 C ATOM 1252 OG1 THR A 80 -9.125 19.510 3.955 1.00 0.00 O ATOM 1253 CG2 THR A 80 -10.330 18.682 2.035 1.00 0.00 C ATOM 0 H THR A 80 -9.403 20.114 0.086 1.00 0.00 H new ATOM 0 HA THR A 80 -7.465 20.600 2.239 1.00 0.00 H new ATOM 0 HB THR A 80 -9.948 20.746 2.522 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.956 19.465 4.473 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.252 18.636 2.615 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.568 18.897 0.993 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.812 17.725 2.099 1.00 0.00 H new ATOM 1261 N PRO A 81 -6.307 18.307 2.364 1.00 0.00 N ATOM 1262 CA PRO A 81 -5.595 16.993 2.358 1.00 0.00 C ATOM 1263 C PRO A 81 -6.204 15.970 3.332 1.00 0.00 C ATOM 1264 O PRO A 81 -7.107 16.274 4.084 1.00 0.00 O ATOM 1265 CB PRO A 81 -4.174 17.371 2.788 1.00 0.00 C ATOM 1266 CG PRO A 81 -4.353 18.556 3.682 1.00 0.00 C ATOM 1267 CD PRO A 81 -5.548 19.329 3.119 1.00 0.00 C ATOM 0 HA PRO A 81 -5.654 16.505 1.385 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.687 16.549 3.312 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.551 17.614 1.927 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.538 18.245 4.710 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.457 19.176 3.693 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.151 19.768 3.914 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.227 20.147 2.474 1.00 0.00 H new ATOM 1275 N SER A 82 -5.695 14.762 3.336 1.00 0.00 N ATOM 1276 CA SER A 82 -6.225 13.737 4.281 1.00 0.00 C ATOM 1277 C SER A 82 -5.520 13.927 5.618 1.00 0.00 C ATOM 1278 O SER A 82 -4.337 13.696 5.742 1.00 0.00 O ATOM 1279 CB SER A 82 -5.930 12.328 3.748 1.00 0.00 C ATOM 1280 OG SER A 82 -6.080 11.380 4.802 1.00 0.00 O ATOM 0 H SER A 82 -4.940 14.445 2.728 1.00 0.00 H new ATOM 0 HA SER A 82 -7.304 13.850 4.391 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.608 12.088 2.929 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.918 12.284 3.346 1.00 0.00 H new ATOM 0 HG SER A 82 -5.893 10.480 4.462 1.00 0.00 H new ATOM 1286 N ARG A 83 -6.236 14.345 6.620 1.00 0.00 N ATOM 1287 CA ARG A 83 -5.607 14.552 7.949 1.00 0.00 C ATOM 1288 C ARG A 83 -4.985 13.238 8.417 1.00 0.00 C ATOM 1289 O ARG A 83 -3.978 13.216 9.098 1.00 0.00 O ATOM 1290 CB ARG A 83 -6.691 14.983 8.933 1.00 0.00 C ATOM 1291 CG ARG A 83 -6.060 15.412 10.256 1.00 0.00 C ATOM 1292 CD ARG A 83 -7.165 15.590 11.301 1.00 0.00 C ATOM 1293 NE ARG A 83 -8.126 16.659 10.876 1.00 0.00 N ATOM 1294 CZ ARG A 83 -7.743 17.889 10.647 1.00 0.00 C ATOM 1295 NH1 ARG A 83 -6.523 18.274 10.905 1.00 0.00 N ATOM 1296 NH2 ARG A 83 -8.602 18.757 10.199 1.00 0.00 N ATOM 0 H ARG A 83 -7.234 14.553 6.575 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.832 15.317 7.889 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.268 15.807 8.512 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.386 14.161 9.103 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.342 14.663 10.591 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.511 16.345 10.126 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.697 14.649 11.439 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.724 15.851 12.263 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.111 16.420 10.762 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.850 17.612 11.292 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.242 19.237 10.720 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.568 18.477 10.028 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.310 19.717 10.019 1.00 0.00 H new ATOM 1310 N GLU A 84 -5.585 12.142 8.059 1.00 0.00 N ATOM 1311 CA GLU A 84 -5.048 10.823 8.487 1.00 0.00 C ATOM 1312 C GLU A 84 -3.578 10.682 8.058 1.00 0.00 C ATOM 1313 O GLU A 84 -2.783 10.051 8.723 1.00 0.00 O ATOM 1314 CB GLU A 84 -5.878 9.708 7.839 1.00 0.00 C ATOM 1315 CG GLU A 84 -7.328 9.809 8.312 1.00 0.00 C ATOM 1316 CD GLU A 84 -8.130 8.648 7.725 1.00 0.00 C ATOM 1317 OE1 GLU A 84 -7.548 7.864 6.993 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -9.311 8.559 8.022 1.00 0.00 O ATOM 0 H GLU A 84 -6.428 12.101 7.486 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.107 10.748 9.573 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.832 9.791 6.753 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.466 8.734 8.102 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.371 9.782 9.401 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.760 10.760 7.999 1.00 0.00 H new ATOM 1325 N TYR A 85 -3.214 11.249 6.949 1.00 0.00 N ATOM 1326 CA TYR A 85 -1.806 11.124 6.480 1.00 0.00 C ATOM 1327 C TYR A 85 -0.854 11.848 7.446 1.00 0.00 C ATOM 1328 O TYR A 85 0.221 11.362 7.740 1.00 0.00 O ATOM 1329 CB TYR A 85 -1.738 11.654 5.020 1.00 0.00 C ATOM 1330 CG TYR A 85 -0.787 12.828 4.829 1.00 0.00 C ATOM 1331 CD1 TYR A 85 0.587 12.653 5.009 1.00 0.00 C ATOM 1332 CD2 TYR A 85 -1.283 14.082 4.416 1.00 0.00 C ATOM 1333 CE1 TYR A 85 1.467 13.721 4.781 1.00 0.00 C ATOM 1334 CE2 TYR A 85 -0.403 15.148 4.194 1.00 0.00 C ATOM 1335 CZ TYR A 85 0.973 14.964 4.372 1.00 0.00 C ATOM 1336 OH TYR A 85 1.843 16.011 4.159 1.00 0.00 O ATOM 0 H TYR A 85 -3.828 11.795 6.344 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.478 10.084 6.475 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.430 10.840 4.363 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.738 11.955 4.707 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.972 11.694 5.324 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.344 14.220 4.271 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.529 13.583 4.922 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.785 16.110 3.886 1.00 0.00 H new ATOM 0 HH TYR A 85 1.339 16.803 3.878 1.00 0.00 H new ATOM 1346 N VAL A 86 -1.230 12.978 7.969 1.00 0.00 N ATOM 1347 CA VAL A 86 -0.317 13.682 8.922 1.00 0.00 C ATOM 1348 C VAL A 86 -0.570 13.193 10.348 1.00 0.00 C ATOM 1349 O VAL A 86 -0.065 13.752 11.302 1.00 0.00 O ATOM 1350 CB VAL A 86 -0.534 15.195 8.818 1.00 0.00 C ATOM 1351 CG1 VAL A 86 0.705 15.946 9.335 1.00 0.00 C ATOM 1352 CG2 VAL A 86 -0.759 15.555 7.351 1.00 0.00 C ATOM 0 H VAL A 86 -2.118 13.445 7.784 1.00 0.00 H new ATOM 0 HA VAL A 86 0.719 13.460 8.665 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.398 15.480 9.419 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.539 17.020 9.256 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.882 15.682 10.378 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.574 15.669 8.738 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.915 16.630 7.260 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.114 15.265 6.767 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.637 15.028 6.978 1.00 0.00 H new ATOM 1362 N ASP A 87 -1.321 12.129 10.501 1.00 0.00 N ATOM 1363 CA ASP A 87 -1.574 11.581 11.871 1.00 0.00 C ATOM 1364 C ASP A 87 -0.523 10.495 12.153 1.00 0.00 C ATOM 1365 O ASP A 87 -0.357 10.065 13.278 1.00 0.00 O ATOM 1366 CB ASP A 87 -3.010 10.992 11.960 1.00 0.00 C ATOM 1367 CG ASP A 87 -3.055 9.506 11.548 1.00 0.00 C ATOM 1368 OD1 ASP A 87 -2.393 8.706 12.191 1.00 0.00 O ATOM 1369 OD2 ASP A 87 -3.774 9.190 10.618 1.00 0.00 O ATOM 0 H ASP A 87 -1.768 11.618 9.740 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.496 12.374 12.615 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.381 11.096 12.979 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.677 11.566 11.317 1.00 0.00 H new ATOM 1374 N LEU A 88 0.207 10.072 11.134 1.00 0.00 N ATOM 1375 CA LEU A 88 1.276 9.034 11.333 1.00 0.00 C ATOM 1376 C LEU A 88 2.589 9.612 10.827 1.00 0.00 C ATOM 1377 O LEU A 88 3.644 9.016 10.947 1.00 0.00 O ATOM 1378 CB LEU A 88 0.884 7.717 10.619 1.00 0.00 C ATOM 1379 CG LEU A 88 1.413 7.626 9.176 1.00 0.00 C ATOM 1380 CD1 LEU A 88 0.923 6.300 8.555 1.00 0.00 C ATOM 1381 CD2 LEU A 88 0.907 8.827 8.352 1.00 0.00 C ATOM 0 H LEU A 88 0.105 10.404 10.175 1.00 0.00 H new ATOM 0 HA LEU A 88 1.391 8.784 12.388 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.267 6.873 11.193 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.202 7.628 10.607 1.00 0.00 H new ATOM 0 HG LEU A 88 2.503 7.649 9.175 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.290 6.220 7.532 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.300 5.462 9.142 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.167 6.280 8.553 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.286 8.754 7.333 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.183 8.823 8.335 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.260 9.754 8.805 1.00 0.00 H new ATOM 1393 N GLU A 89 2.527 10.799 10.298 1.00 0.00 N ATOM 1394 CA GLU A 89 3.754 11.464 9.822 1.00 0.00 C ATOM 1395 C GLU A 89 4.431 12.057 11.046 1.00 0.00 C ATOM 1396 O GLU A 89 5.632 12.055 11.178 1.00 0.00 O ATOM 1397 CB GLU A 89 3.374 12.594 8.855 1.00 0.00 C ATOM 1398 CG GLU A 89 4.608 13.072 8.075 1.00 0.00 C ATOM 1399 CD GLU A 89 5.373 14.103 8.910 1.00 0.00 C ATOM 1400 OE1 GLU A 89 4.818 15.162 9.154 1.00 0.00 O ATOM 1401 OE2 GLU A 89 6.492 13.814 9.295 1.00 0.00 O ATOM 0 H GLU A 89 1.669 11.336 10.177 1.00 0.00 H new ATOM 0 HA GLU A 89 4.411 10.764 9.305 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.610 12.245 8.160 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.943 13.427 9.411 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.254 12.226 7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.303 13.512 7.125 1.00 0.00 H new ATOM 1408 N ARG A 90 3.635 12.559 11.945 1.00 0.00 N ATOM 1409 CA ARG A 90 4.166 13.163 13.191 1.00 0.00 C ATOM 1410 C ARG A 90 4.775 12.069 14.081 1.00 0.00 C ATOM 1411 O ARG A 90 5.466 12.354 15.038 1.00 0.00 O ATOM 1412 CB ARG A 90 3.019 13.861 13.932 1.00 0.00 C ATOM 1413 CG ARG A 90 2.356 14.921 13.031 1.00 0.00 C ATOM 1414 CD ARG A 90 3.308 16.095 12.769 1.00 0.00 C ATOM 1415 NE ARG A 90 2.556 17.214 12.137 1.00 0.00 N ATOM 1416 CZ ARG A 90 3.072 18.413 12.127 1.00 0.00 C ATOM 1417 NH1 ARG A 90 4.257 18.612 12.637 1.00 0.00 N ATOM 1418 NH2 ARG A 90 2.404 19.414 11.619 1.00 0.00 N ATOM 0 H ARG A 90 2.618 12.575 11.865 1.00 0.00 H new ATOM 0 HA ARG A 90 4.942 13.889 12.948 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.278 13.124 14.242 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.398 14.332 14.839 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.064 14.467 12.084 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.444 15.286 13.504 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.758 16.428 13.704 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.123 15.778 12.119 1.00 0.00 H new ATOM 0 HE ARG A 90 1.643 17.045 11.714 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.776 17.832 13.041 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.664 19.547 12.631 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.475 19.261 11.228 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.812 20.349 11.614 1.00 0.00 H new ATOM 1432 N GLU A 91 4.499 10.822 13.796 1.00 0.00 N ATOM 1433 CA GLU A 91 5.048 9.724 14.655 1.00 0.00 C ATOM 1434 C GLU A 91 6.511 9.424 14.284 1.00 0.00 C ATOM 1435 O GLU A 91 7.408 10.185 14.597 1.00 0.00 O ATOM 1436 CB GLU A 91 4.178 8.473 14.471 1.00 0.00 C ATOM 1437 CG GLU A 91 4.574 7.392 15.492 1.00 0.00 C ATOM 1438 CD GLU A 91 3.973 7.726 16.860 1.00 0.00 C ATOM 1439 OE1 GLU A 91 4.484 8.621 17.509 1.00 0.00 O ATOM 1440 OE2 GLU A 91 3.011 7.076 17.235 1.00 0.00 O ATOM 0 H GLU A 91 3.922 10.516 13.013 1.00 0.00 H new ATOM 0 HA GLU A 91 5.028 10.034 15.700 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.126 8.732 14.595 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.294 8.087 13.458 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.221 6.416 15.158 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.660 7.330 15.567 1.00 0.00 H new ATOM 1447 N ALA A 92 6.757 8.319 13.627 1.00 0.00 N ATOM 1448 CA ALA A 92 8.150 7.953 13.237 1.00 0.00 C ATOM 1449 C ALA A 92 8.766 9.070 12.397 1.00 0.00 C ATOM 1450 O ALA A 92 9.951 9.079 12.134 1.00 0.00 O ATOM 1451 CB ALA A 92 8.113 6.663 12.403 1.00 0.00 C ATOM 0 H ALA A 92 6.043 7.648 13.342 1.00 0.00 H new ATOM 0 HA ALA A 92 8.749 7.805 14.135 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.127 6.388 12.113 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.674 5.860 12.995 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.512 6.825 11.509 1.00 0.00 H new ATOM 1457 N GLY A 93 7.968 9.994 11.938 1.00 0.00 N ATOM 1458 CA GLY A 93 8.520 11.077 11.073 1.00 0.00 C ATOM 1459 C GLY A 93 8.521 10.538 9.645 1.00 0.00 C ATOM 1460 O GLY A 93 9.233 11.006 8.779 1.00 0.00 O ATOM 0 H GLY A 93 6.966 10.047 12.122 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.912 11.979 11.146 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.529 11.346 11.386 1.00 0.00 H new ATOM 1464 N LYS A 94 7.721 9.528 9.413 1.00 0.00 N ATOM 1465 CA LYS A 94 7.641 8.889 8.067 1.00 0.00 C ATOM 1466 C LYS A 94 6.162 8.783 7.681 1.00 0.00 C ATOM 1467 O LYS A 94 5.303 8.793 8.537 1.00 0.00 O ATOM 1468 CB LYS A 94 8.219 7.469 8.172 1.00 0.00 C ATOM 1469 CG LYS A 94 9.599 7.512 8.840 1.00 0.00 C ATOM 1470 CD LYS A 94 10.264 6.132 8.731 1.00 0.00 C ATOM 1471 CE LYS A 94 11.603 6.128 9.473 1.00 0.00 C ATOM 1472 NZ LYS A 94 12.296 4.826 9.223 1.00 0.00 N ATOM 0 H LYS A 94 7.109 9.112 10.115 1.00 0.00 H new ATOM 0 HA LYS A 94 8.192 9.470 7.328 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.546 6.835 8.750 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.300 7.026 7.179 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.223 8.267 8.362 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.499 7.798 9.887 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.606 5.370 9.149 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.421 5.878 7.683 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.224 6.956 9.132 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.441 6.269 10.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.207 4.816 9.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.702 4.045 9.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.461 4.711 8.203 1.00 0.00 H new ATOM 1486 N VAL A 95 5.850 8.646 6.413 1.00 0.00 N ATOM 1487 CA VAL A 95 4.412 8.505 6.002 1.00 0.00 C ATOM 1488 C VAL A 95 4.218 7.105 5.455 1.00 0.00 C ATOM 1489 O VAL A 95 4.951 6.673 4.586 1.00 0.00 O ATOM 1490 CB VAL A 95 4.073 9.510 4.890 1.00 0.00 C ATOM 1491 CG1 VAL A 95 2.579 9.417 4.543 1.00 0.00 C ATOM 1492 CG2 VAL A 95 4.405 10.927 5.360 1.00 0.00 C ATOM 0 H VAL A 95 6.524 8.626 5.647 1.00 0.00 H new ATOM 0 HA VAL A 95 3.767 8.691 6.861 1.00 0.00 H new ATOM 0 HB VAL A 95 4.662 9.276 4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.344 10.131 3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.347 8.409 4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.985 9.645 5.428 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.164 11.638 4.570 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.821 11.161 6.250 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.467 10.993 5.596 1.00 0.00 H new ATOM 1502 N TYR A 96 3.232 6.389 5.927 1.00 0.00 N ATOM 1503 CA TYR A 96 3.008 5.019 5.381 1.00 0.00 C ATOM 1504 C TYR A 96 1.528 4.692 5.294 1.00 0.00 C ATOM 1505 O TYR A 96 0.668 5.349 5.850 1.00 0.00 O ATOM 1506 CB TYR A 96 3.774 3.964 6.185 1.00 0.00 C ATOM 1507 CG TYR A 96 3.220 3.774 7.570 1.00 0.00 C ATOM 1508 CD1 TYR A 96 3.679 4.573 8.622 1.00 0.00 C ATOM 1509 CD2 TYR A 96 2.283 2.768 7.808 1.00 0.00 C ATOM 1510 CE1 TYR A 96 3.192 4.371 9.913 1.00 0.00 C ATOM 1511 CE2 TYR A 96 1.795 2.558 9.096 1.00 0.00 C ATOM 1512 CZ TYR A 96 2.250 3.362 10.155 1.00 0.00 C ATOM 1513 OH TYR A 96 1.771 3.164 11.432 1.00 0.00 O ATOM 0 H TYR A 96 2.582 6.687 6.655 1.00 0.00 H new ATOM 0 HA TYR A 96 3.403 5.002 4.365 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.743 3.014 5.652 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.822 4.256 6.254 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.410 5.346 8.435 1.00 0.00 H new ATOM 0 HD2 TYR A 96 1.935 2.151 6.993 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.540 4.991 10.725 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.069 1.780 9.280 1.00 0.00 H new ATOM 0 HH TYR A 96 1.125 2.427 11.428 1.00 0.00 H new ATOM 1523 N LEU A 97 1.241 3.694 4.526 1.00 0.00 N ATOM 1524 CA LEU A 97 -0.160 3.279 4.280 1.00 0.00 C ATOM 1525 C LEU A 97 -0.274 1.759 4.413 1.00 0.00 C ATOM 1526 O LEU A 97 0.622 1.009 4.040 1.00 0.00 O ATOM 1527 CB LEU A 97 -0.558 3.725 2.850 1.00 0.00 C ATOM 1528 CG LEU A 97 0.704 3.854 1.946 1.00 0.00 C ATOM 1529 CD1 LEU A 97 0.341 3.552 0.490 1.00 0.00 C ATOM 1530 CD2 LEU A 97 1.278 5.289 2.025 1.00 0.00 C ATOM 0 H LEU A 97 1.939 3.129 4.042 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.827 3.741 5.007 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.250 3.003 2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.081 4.681 2.893 1.00 0.00 H new ATOM 0 HG LEU A 97 1.449 3.141 2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.230 3.645 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.050 2.537 0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.416 4.258 0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.159 5.364 1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.525 6.001 1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.554 5.514 3.055 1.00 0.00 H new ATOM 1542 N LYS A 98 -1.396 1.312 4.921 1.00 0.00 N ATOM 1543 CA LYS A 98 -1.649 -0.147 5.081 1.00 0.00 C ATOM 1544 C LYS A 98 -3.083 -0.439 4.664 1.00 0.00 C ATOM 1545 O LYS A 98 -3.999 0.273 5.022 1.00 0.00 O ATOM 1546 CB LYS A 98 -1.445 -0.550 6.542 1.00 0.00 C ATOM 1547 CG LYS A 98 -2.510 0.132 7.408 1.00 0.00 C ATOM 1548 CD LYS A 98 -2.131 0.026 8.890 1.00 0.00 C ATOM 1549 CE LYS A 98 -2.343 -1.406 9.395 1.00 0.00 C ATOM 1550 NZ LYS A 98 -2.035 -1.461 10.852 1.00 0.00 N ATOM 0 H LYS A 98 -2.159 1.911 5.236 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.957 -0.715 4.459 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.514 -1.633 6.646 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.448 -0.261 6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.605 1.180 7.123 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.481 -0.334 7.239 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.089 0.316 9.027 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.735 0.718 9.477 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.372 -1.719 9.216 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.700 -2.096 8.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.177 -2.431 11.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.047 -1.178 11.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.666 -0.813 11.365 1.00 0.00 H new ATOM 1564 N ALA A 99 -3.297 -1.476 3.904 1.00 0.00 N ATOM 1565 CA ALA A 99 -4.692 -1.777 3.474 1.00 0.00 C ATOM 1566 C ALA A 99 -4.817 -3.254 3.064 1.00 0.00 C ATOM 1567 O ALA A 99 -3.889 -3.817 2.519 1.00 0.00 O ATOM 1568 CB ALA A 99 -5.033 -0.889 2.274 1.00 0.00 C ATOM 0 H ALA A 99 -2.581 -2.119 3.566 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.377 -1.584 4.300 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.052 -1.096 1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.951 0.159 2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.340 -1.097 1.459 1.00 0.00 H new ATOM 1574 N PRO A 100 -5.961 -3.876 3.268 1.00 0.00 N ATOM 1575 CA PRO A 100 -6.183 -5.287 2.850 1.00 0.00 C ATOM 1576 C PRO A 100 -6.686 -5.364 1.402 1.00 0.00 C ATOM 1577 O PRO A 100 -7.850 -5.143 1.125 1.00 0.00 O ATOM 1578 CB PRO A 100 -7.257 -5.751 3.822 1.00 0.00 C ATOM 1579 CG PRO A 100 -8.114 -4.541 4.016 1.00 0.00 C ATOM 1580 CD PRO A 100 -7.165 -3.331 3.933 1.00 0.00 C ATOM 0 HA PRO A 100 -5.278 -5.894 2.874 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -7.830 -6.585 3.416 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -6.824 -6.089 4.764 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.887 -4.484 3.250 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.622 -4.573 4.980 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.605 -2.515 3.359 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.932 -2.936 4.922 1.00 0.00 H new ATOM 1588 N MET A 101 -5.812 -5.649 0.476 1.00 0.00 N ATOM 1589 CA MET A 101 -6.228 -5.711 -0.968 1.00 0.00 C ATOM 1590 C MET A 101 -6.465 -7.164 -1.406 1.00 0.00 C ATOM 1591 O MET A 101 -5.618 -8.015 -1.224 1.00 0.00 O ATOM 1592 CB MET A 101 -5.101 -5.092 -1.809 1.00 0.00 C ATOM 1593 CG MET A 101 -5.502 -5.028 -3.287 1.00 0.00 C ATOM 1594 SD MET A 101 -6.828 -3.814 -3.524 1.00 0.00 S ATOM 1595 CE MET A 101 -5.926 -2.325 -3.029 1.00 0.00 C ATOM 0 H MET A 101 -4.826 -5.843 0.650 1.00 0.00 H new ATOM 0 HA MET A 101 -7.161 -5.164 -1.107 1.00 0.00 H new ATOM 0 HB2 MET A 101 -4.876 -4.090 -1.444 1.00 0.00 H new ATOM 0 HB3 MET A 101 -4.192 -5.683 -1.699 1.00 0.00 H new ATOM 0 HG2 MET A 101 -4.638 -4.757 -3.894 1.00 0.00 H new ATOM 0 HG3 MET A 101 -5.834 -6.010 -3.624 1.00 0.00 H new ATOM 0 HE1 MET A 101 -6.124 -1.526 -3.743 1.00 0.00 H new ATOM 0 HE2 MET A 101 -6.253 -2.014 -2.037 1.00 0.00 H new ATOM 0 HE3 MET A 101 -4.857 -2.537 -3.009 1.00 0.00 H new ATOM 1605 N ILE A 102 -7.600 -7.457 -2.017 1.00 0.00 N ATOM 1606 CA ILE A 102 -7.848 -8.855 -2.494 1.00 0.00 C ATOM 1607 C ILE A 102 -7.310 -9.018 -3.918 1.00 0.00 C ATOM 1608 O ILE A 102 -7.554 -8.213 -4.795 1.00 0.00 O ATOM 1609 CB ILE A 102 -9.353 -9.248 -2.411 1.00 0.00 C ATOM 1610 CG1 ILE A 102 -10.265 -8.043 -2.678 1.00 0.00 C ATOM 1611 CG2 ILE A 102 -9.695 -9.823 -1.025 1.00 0.00 C ATOM 1612 CD1 ILE A 102 -11.735 -8.481 -2.536 1.00 0.00 C ATOM 0 H ILE A 102 -8.352 -6.793 -2.201 1.00 0.00 H new ATOM 0 HA ILE A 102 -7.315 -9.537 -1.831 1.00 0.00 H new ATOM 0 HB ILE A 102 -9.523 -10.004 -3.178 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -10.042 -7.240 -1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -10.085 -7.650 -3.679 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.751 -10.090 -0.992 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -9.091 -10.711 -0.840 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.486 -9.076 -0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -12.388 -7.629 -2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -11.951 -9.270 -3.256 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -11.908 -8.854 -1.527 1.00 0.00 H new ATOM 1624 N LEU A 103 -6.576 -10.077 -4.132 1.00 0.00 N ATOM 1625 CA LEU A 103 -5.990 -10.371 -5.472 1.00 0.00 C ATOM 1626 C LEU A 103 -6.751 -11.566 -6.038 1.00 0.00 C ATOM 1627 O LEU A 103 -7.679 -12.046 -5.421 1.00 0.00 O ATOM 1628 CB LEU A 103 -4.498 -10.728 -5.327 1.00 0.00 C ATOM 1629 CG LEU A 103 -3.767 -9.653 -4.512 1.00 0.00 C ATOM 1630 CD1 LEU A 103 -2.254 -9.909 -4.570 1.00 0.00 C ATOM 1631 CD2 LEU A 103 -4.073 -8.262 -5.083 1.00 0.00 C ATOM 0 H LEU A 103 -6.353 -10.768 -3.415 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.071 -9.505 -6.130 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.395 -11.697 -4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.042 -10.819 -6.313 1.00 0.00 H new ATOM 0 HG LEU A 103 -4.107 -9.696 -3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.733 -9.146 -3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.035 -10.892 -4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.918 -9.871 -5.606 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.550 -7.505 -4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.740 -8.213 -6.120 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -5.146 -8.078 -5.037 1.00 0.00 H new ATOM 1643 N ASN A 104 -6.397 -12.046 -7.197 1.00 0.00 N ATOM 1644 CA ASN A 104 -7.136 -13.214 -7.754 1.00 0.00 C ATOM 1645 C ASN A 104 -6.897 -14.418 -6.836 1.00 0.00 C ATOM 1646 O ASN A 104 -6.309 -15.412 -7.218 1.00 0.00 O ATOM 1647 CB ASN A 104 -6.614 -13.524 -9.158 1.00 0.00 C ATOM 1648 CG ASN A 104 -7.543 -14.536 -9.838 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -8.417 -15.094 -9.204 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -7.392 -14.799 -11.108 1.00 0.00 N ATOM 0 H ASN A 104 -5.639 -11.687 -7.777 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.202 -12.995 -7.813 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.562 -12.609 -9.748 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.602 -13.925 -9.101 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -8.007 -15.472 -11.566 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.659 -14.332 -11.642 1.00 0.00 H new ATOM 1657 N GLY A 105 -7.356 -14.324 -5.620 1.00 0.00 N ATOM 1658 CA GLY A 105 -7.180 -15.436 -4.651 1.00 0.00 C ATOM 1659 C GLY A 105 -7.855 -15.059 -3.333 1.00 0.00 C ATOM 1660 O GLY A 105 -9.019 -15.334 -3.117 1.00 0.00 O ATOM 0 H GLY A 105 -7.852 -13.512 -5.253 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.615 -16.353 -5.048 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.120 -15.630 -4.489 1.00 0.00 H new ATOM 1664 N VAL A 106 -7.135 -14.408 -2.451 1.00 0.00 N ATOM 1665 CA VAL A 106 -7.737 -13.989 -1.146 1.00 0.00 C ATOM 1666 C VAL A 106 -7.069 -12.684 -0.684 1.00 0.00 C ATOM 1667 O VAL A 106 -6.248 -12.124 -1.384 1.00 0.00 O ATOM 1668 CB VAL A 106 -7.578 -15.092 -0.070 1.00 0.00 C ATOM 1669 CG1 VAL A 106 -8.917 -15.282 0.646 1.00 0.00 C ATOM 1670 CG2 VAL A 106 -7.182 -16.426 -0.704 1.00 0.00 C ATOM 0 H VAL A 106 -6.157 -14.149 -2.579 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.806 -13.826 -1.286 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.798 -14.783 0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.816 -16.057 1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -9.213 -14.346 1.119 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.677 -15.579 -0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.077 -17.182 0.074 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.952 -16.736 -1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.234 -16.312 -1.229 1.00 0.00 H new ATOM 1680 N CYS A 107 -7.436 -12.168 0.469 1.00 0.00 N ATOM 1681 CA CYS A 107 -6.832 -10.879 0.914 1.00 0.00 C ATOM 1682 C CYS A 107 -5.400 -11.061 1.360 1.00 0.00 C ATOM 1683 O CYS A 107 -5.032 -12.028 1.995 1.00 0.00 O ATOM 1684 CB CYS A 107 -7.639 -10.231 2.053 1.00 0.00 C ATOM 1685 SG CYS A 107 -8.101 -11.457 3.283 1.00 0.00 S ATOM 0 H CYS A 107 -8.116 -12.579 1.108 1.00 0.00 H new ATOM 0 HA CYS A 107 -6.854 -10.217 0.048 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -7.048 -9.444 2.521 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.535 -9.760 1.648 1.00 0.00 H new ATOM 0 HG CYS A 107 -9.352 -11.304 3.600 1.00 0.00 H new ATOM 1691 N VAL A 108 -4.606 -10.082 1.044 1.00 0.00 N ATOM 1692 CA VAL A 108 -3.180 -10.069 1.433 1.00 0.00 C ATOM 1693 C VAL A 108 -2.958 -8.719 2.117 1.00 0.00 C ATOM 1694 O VAL A 108 -3.632 -7.757 1.797 1.00 0.00 O ATOM 1695 CB VAL A 108 -2.301 -10.219 0.189 1.00 0.00 C ATOM 1696 CG1 VAL A 108 -2.363 -8.954 -0.679 1.00 0.00 C ATOM 1697 CG2 VAL A 108 -0.869 -10.491 0.634 1.00 0.00 C ATOM 0 H VAL A 108 -4.901 -9.263 0.513 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.920 -10.891 2.099 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.665 -11.051 -0.415 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.731 -9.084 -1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.391 -8.780 -0.995 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.011 -8.099 -0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.230 -10.600 -0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.513 -9.659 1.241 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.839 -11.408 1.222 1.00 0.00 H new ATOM 1707 N ILE A 109 -2.080 -8.629 3.082 1.00 0.00 N ATOM 1708 CA ILE A 109 -1.912 -7.322 3.800 1.00 0.00 C ATOM 1709 C ILE A 109 -0.697 -6.561 3.269 1.00 0.00 C ATOM 1710 O ILE A 109 0.431 -6.993 3.371 1.00 0.00 O ATOM 1711 CB ILE A 109 -1.759 -7.613 5.310 1.00 0.00 C ATOM 1712 CG1 ILE A 109 -2.118 -6.382 6.141 1.00 0.00 C ATOM 1713 CG2 ILE A 109 -0.320 -8.015 5.657 1.00 0.00 C ATOM 1714 CD1 ILE A 109 -2.172 -6.788 7.617 1.00 0.00 C ATOM 0 H ILE A 109 -1.479 -9.388 3.403 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.787 -6.694 3.631 1.00 0.00 H new ATOM 0 HB ILE A 109 -2.437 -8.434 5.542 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.378 -5.596 5.992 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -3.080 -5.979 5.824 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.245 -8.213 6.726 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.049 -8.913 5.102 1.00 0.00 H new ATOM 0 HG23 ILE A 109 0.359 -7.205 5.390 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -2.427 -5.920 8.224 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -2.928 -7.561 7.754 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -1.199 -7.172 7.924 1.00 0.00 H new ATOM 1726 N TRP A 110 -0.938 -5.408 2.710 1.00 0.00 N ATOM 1727 CA TRP A 110 0.164 -4.562 2.175 1.00 0.00 C ATOM 1728 C TRP A 110 0.351 -3.381 3.123 1.00 0.00 C ATOM 1729 O TRP A 110 -0.590 -2.690 3.446 1.00 0.00 O ATOM 1730 CB TRP A 110 -0.242 -4.071 0.780 1.00 0.00 C ATOM 1731 CG TRP A 110 0.932 -3.487 0.055 1.00 0.00 C ATOM 1732 CD1 TRP A 110 1.681 -4.149 -0.854 1.00 0.00 C ATOM 1733 CD2 TRP A 110 1.493 -2.147 0.145 1.00 0.00 C ATOM 1734 NE1 TRP A 110 2.666 -3.301 -1.332 1.00 0.00 N ATOM 1735 CE2 TRP A 110 2.593 -2.056 -0.743 1.00 0.00 C ATOM 1736 CE3 TRP A 110 1.161 -1.013 0.904 1.00 0.00 C ATOM 1737 CZ2 TRP A 110 3.333 -0.880 -0.874 1.00 0.00 C ATOM 1738 CZ3 TRP A 110 1.905 0.168 0.777 1.00 0.00 C ATOM 1739 CH2 TRP A 110 2.987 0.236 -0.107 1.00 0.00 C ATOM 0 H TRP A 110 -1.870 -5.009 2.600 1.00 0.00 H new ATOM 0 HA TRP A 110 1.098 -5.119 2.100 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.654 -4.900 0.204 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -1.029 -3.322 0.869 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.535 -5.175 -1.159 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.359 -3.564 -2.032 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.327 -1.051 1.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.165 -0.833 -1.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.641 1.033 1.367 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.555 1.150 -0.197 1.00 0.00 H new ATOM 1750 N LYS A 111 1.556 -3.145 3.563 1.00 0.00 N ATOM 1751 CA LYS A 111 1.820 -2.001 4.486 1.00 0.00 C ATOM 1752 C LYS A 111 3.227 -1.495 4.251 1.00 0.00 C ATOM 1753 O LYS A 111 4.100 -1.599 5.089 1.00 0.00 O ATOM 1754 CB LYS A 111 1.636 -2.419 5.942 1.00 0.00 C ATOM 1755 CG LYS A 111 2.291 -3.768 6.169 1.00 0.00 C ATOM 1756 CD LYS A 111 2.077 -4.188 7.621 1.00 0.00 C ATOM 1757 CE LYS A 111 2.735 -5.551 7.844 1.00 0.00 C ATOM 1758 NZ LYS A 111 2.415 -6.072 9.204 1.00 0.00 N ATOM 0 H LYS A 111 2.377 -3.700 3.321 1.00 0.00 H new ATOM 0 HA LYS A 111 1.106 -1.204 4.282 1.00 0.00 H new ATOM 0 HB2 LYS A 111 2.077 -1.673 6.604 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.575 -2.473 6.184 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.864 -4.511 5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.357 -3.711 5.947 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.507 -3.447 8.295 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.012 -4.242 7.845 1.00 0.00 H new ATOM 0 HE2 LYS A 111 2.389 -6.256 7.088 1.00 0.00 H new ATOM 0 HE3 LYS A 111 3.815 -5.463 7.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 2.870 -6.998 9.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 2.767 -5.407 9.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 1.385 -6.175 9.303 1.00 0.00 H new ATOM 1772 N GLY A 112 3.430 -0.936 3.100 1.00 0.00 N ATOM 1773 CA GLY A 112 4.758 -0.380 2.749 1.00 0.00 C ATOM 1774 C GLY A 112 4.929 0.968 3.437 1.00 0.00 C ATOM 1775 O GLY A 112 3.959 1.632 3.749 1.00 0.00 O ATOM 0 H GLY A 112 2.720 -0.839 2.374 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.547 -1.064 3.061 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.844 -0.265 1.669 1.00 0.00 H new ATOM 1779 N TRP A 113 6.144 1.392 3.672 1.00 0.00 N ATOM 1780 CA TRP A 113 6.360 2.711 4.337 1.00 0.00 C ATOM 1781 C TRP A 113 7.499 3.459 3.667 1.00 0.00 C ATOM 1782 O TRP A 113 8.294 2.898 2.945 1.00 0.00 O ATOM 1783 CB TRP A 113 6.669 2.512 5.827 1.00 0.00 C ATOM 1784 CG TRP A 113 7.756 1.504 6.026 1.00 0.00 C ATOM 1785 CD1 TRP A 113 7.554 0.178 6.226 1.00 0.00 C ATOM 1786 CD2 TRP A 113 9.203 1.711 6.064 1.00 0.00 C ATOM 1787 NE1 TRP A 113 8.783 -0.441 6.393 1.00 0.00 N ATOM 1788 CE2 TRP A 113 9.829 0.463 6.299 1.00 0.00 C ATOM 1789 CE3 TRP A 113 10.026 2.849 5.919 1.00 0.00 C ATOM 1790 CZ2 TRP A 113 11.219 0.349 6.395 1.00 0.00 C ATOM 1791 CZ3 TRP A 113 11.425 2.733 6.010 1.00 0.00 C ATOM 1792 CH2 TRP A 113 12.018 1.486 6.248 1.00 0.00 C ATOM 0 H TRP A 113 6.995 0.882 3.432 1.00 0.00 H new ATOM 0 HA TRP A 113 5.448 3.300 4.242 1.00 0.00 H new ATOM 0 HB2 TRP A 113 6.966 3.463 6.269 1.00 0.00 H new ATOM 0 HB3 TRP A 113 5.768 2.186 6.347 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.593 -0.315 6.251 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.903 -1.439 6.564 1.00 0.00 H new ATOM 0 HE3 TRP A 113 9.579 3.815 5.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 11.673 -0.613 6.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 12.045 3.610 5.896 1.00 0.00 H new ATOM 0 HH2 TRP A 113 13.093 1.404 6.318 1.00 0.00 H new ATOM 1803 N ILE A 114 7.562 4.739 3.898 1.00 0.00 N ATOM 1804 CA ILE A 114 8.622 5.568 3.278 1.00 0.00 C ATOM 1805 C ILE A 114 8.852 6.783 4.160 1.00 0.00 C ATOM 1806 O ILE A 114 7.936 7.314 4.757 1.00 0.00 O ATOM 1807 CB ILE A 114 8.164 6.015 1.884 1.00 0.00 C ATOM 1808 CG1 ILE A 114 6.745 6.590 1.984 1.00 0.00 C ATOM 1809 CG2 ILE A 114 8.185 4.831 0.907 1.00 0.00 C ATOM 1810 CD1 ILE A 114 6.236 6.982 0.595 1.00 0.00 C ATOM 0 H ILE A 114 6.914 5.249 4.498 1.00 0.00 H new ATOM 0 HA ILE A 114 9.546 4.998 3.181 1.00 0.00 H new ATOM 0 HB ILE A 114 8.845 6.779 1.509 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.077 5.853 2.430 1.00 0.00 H new ATOM 0 HG13 ILE A 114 6.743 7.461 2.640 1.00 0.00 H new ATOM 0 HG21 ILE A 114 7.857 5.166 -0.077 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.198 4.435 0.837 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.515 4.051 1.267 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.228 7.389 0.678 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.897 7.735 0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.220 6.102 -0.048 1.00 0.00 H new ATOM 1822 N ASP A 115 10.070 7.219 4.267 1.00 0.00 N ATOM 1823 CA ASP A 115 10.362 8.382 5.127 1.00 0.00 C ATOM 1824 C ASP A 115 9.945 9.670 4.420 1.00 0.00 C ATOM 1825 O ASP A 115 9.676 9.683 3.236 1.00 0.00 O ATOM 1826 CB ASP A 115 11.860 8.386 5.435 1.00 0.00 C ATOM 1827 CG ASP A 115 12.108 9.092 6.768 1.00 0.00 C ATOM 1828 OD1 ASP A 115 11.425 10.068 7.032 1.00 0.00 O ATOM 1829 OD2 ASP A 115 12.970 8.642 7.503 1.00 0.00 O ATOM 0 H ASP A 115 10.877 6.815 3.792 1.00 0.00 H new ATOM 0 HA ASP A 115 9.801 8.318 6.059 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.235 7.364 5.478 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.404 8.892 4.637 1.00 0.00 H new ATOM 1834 N LEU A 116 9.870 10.748 5.147 1.00 0.00 N ATOM 1835 CA LEU A 116 9.453 12.037 4.533 1.00 0.00 C ATOM 1836 C LEU A 116 10.550 12.517 3.560 1.00 0.00 C ATOM 1837 O LEU A 116 10.293 13.301 2.673 1.00 0.00 O ATOM 1838 CB LEU A 116 9.226 13.075 5.651 1.00 0.00 C ATOM 1839 CG LEU A 116 8.291 14.224 5.180 1.00 0.00 C ATOM 1840 CD1 LEU A 116 7.748 14.955 6.418 1.00 0.00 C ATOM 1841 CD2 LEU A 116 9.043 15.231 4.267 1.00 0.00 C ATOM 0 H LEU A 116 10.080 10.792 6.144 1.00 0.00 H new ATOM 0 HA LEU A 116 8.525 11.908 3.976 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.791 12.584 6.522 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.184 13.489 5.964 1.00 0.00 H new ATOM 0 HG LEU A 116 7.474 13.795 4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 116 7.090 15.765 6.103 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.190 14.254 7.039 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.579 15.365 6.992 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.359 16.021 3.956 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.877 15.668 4.817 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.421 14.712 3.387 1.00 0.00 H new ATOM 1853 N HIS A 117 11.780 12.061 3.714 1.00 0.00 N ATOM 1854 CA HIS A 117 12.872 12.516 2.792 1.00 0.00 C ATOM 1855 C HIS A 117 13.093 11.504 1.656 1.00 0.00 C ATOM 1856 O HIS A 117 12.934 11.840 0.498 1.00 0.00 O ATOM 1857 CB HIS A 117 14.171 12.722 3.594 1.00 0.00 C ATOM 1858 CG HIS A 117 14.247 11.746 4.740 1.00 0.00 C ATOM 1859 ND1 HIS A 117 13.911 12.112 6.035 1.00 0.00 N ATOM 1860 CD2 HIS A 117 14.674 10.443 4.818 1.00 0.00 C ATOM 1861 CE1 HIS A 117 14.151 11.056 6.830 1.00 0.00 C ATOM 1862 NE2 HIS A 117 14.615 10.012 6.141 1.00 0.00 N ATOM 0 H HIS A 117 12.069 11.399 4.434 1.00 0.00 H new ATOM 0 HA HIS A 117 12.576 13.462 2.339 1.00 0.00 H new ATOM 0 HB2 HIS A 117 15.033 12.591 2.940 1.00 0.00 H new ATOM 0 HB3 HIS A 117 14.212 13.742 3.975 1.00 0.00 H new ATOM 0 HD2 HIS A 117 15.005 9.845 3.982 1.00 0.00 H new ATOM 0 HE1 HIS A 117 13.988 11.053 7.898 1.00 0.00 H new ATOM 0 HE2 HIS A 117 14.872 9.094 6.505 1.00 0.00 H new ATOM 1870 N ARG A 118 13.458 10.275 1.950 1.00 0.00 N ATOM 1871 CA ARG A 118 13.676 9.287 0.838 1.00 0.00 C ATOM 1872 C ARG A 118 12.374 8.516 0.593 1.00 0.00 C ATOM 1873 O ARG A 118 11.847 7.867 1.474 1.00 0.00 O ATOM 1874 CB ARG A 118 14.822 8.315 1.195 1.00 0.00 C ATOM 1875 CG ARG A 118 14.399 7.344 2.310 1.00 0.00 C ATOM 1876 CD ARG A 118 15.638 6.611 2.852 1.00 0.00 C ATOM 1877 NE ARG A 118 15.237 5.659 3.939 1.00 0.00 N ATOM 1878 CZ ARG A 118 16.110 4.804 4.415 1.00 0.00 C ATOM 1879 NH1 ARG A 118 17.333 4.806 3.963 1.00 0.00 N ATOM 1880 NH2 ARG A 118 15.773 3.966 5.359 1.00 0.00 N ATOM 0 H ARG A 118 13.612 9.917 2.893 1.00 0.00 H new ATOM 0 HA ARG A 118 13.959 9.819 -0.070 1.00 0.00 H new ATOM 0 HB2 ARG A 118 15.114 7.751 0.309 1.00 0.00 H new ATOM 0 HB3 ARG A 118 15.697 8.881 1.515 1.00 0.00 H new ATOM 0 HG2 ARG A 118 13.906 7.890 3.114 1.00 0.00 H new ATOM 0 HG3 ARG A 118 13.677 6.624 1.925 1.00 0.00 H new ATOM 0 HD2 ARG A 118 16.131 6.068 2.046 1.00 0.00 H new ATOM 0 HD3 ARG A 118 16.358 7.333 3.237 1.00 0.00 H new ATOM 0 HE ARG A 118 14.286 5.676 4.308 1.00 0.00 H new ATOM 0 HH11 ARG A 118 17.609 5.472 3.241 1.00 0.00 H new ATOM 0 HH12 ARG A 118 18.014 4.142 4.332 1.00 0.00 H new ATOM 0 HH21 ARG A 118 14.824 3.973 5.732 1.00 0.00 H new ATOM 0 HH22 ARG A 118 16.459 3.305 5.723 1.00 0.00 H new ATOM 1894 N LEU A 119 11.843 8.593 -0.600 1.00 0.00 N ATOM 1895 CA LEU A 119 10.571 7.866 -0.911 1.00 0.00 C ATOM 1896 C LEU A 119 10.916 6.457 -1.408 1.00 0.00 C ATOM 1897 O LEU A 119 10.177 5.854 -2.151 1.00 0.00 O ATOM 1898 CB LEU A 119 9.734 8.627 -1.970 1.00 0.00 C ATOM 1899 CG LEU A 119 10.623 9.529 -2.824 1.00 0.00 C ATOM 1900 CD1 LEU A 119 11.563 8.666 -3.663 1.00 0.00 C ATOM 1901 CD2 LEU A 119 9.729 10.361 -3.744 1.00 0.00 C ATOM 0 H LEU A 119 12.234 9.128 -1.375 1.00 0.00 H new ATOM 0 HA LEU A 119 9.967 7.801 -0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 119 9.213 7.914 -2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 119 8.971 9.227 -1.474 1.00 0.00 H new ATOM 0 HG LEU A 119 11.216 10.186 -2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 119 12.198 9.308 -4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 119 12.185 8.060 -3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 119 10.977 8.014 -4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 119 10.348 11.012 -4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 119 9.148 9.697 -4.385 1.00 0.00 H new ATOM 0 HD23 LEU A 119 9.052 10.968 -3.142 1.00 0.00 H new ATOM 1913 N ASP A 120 12.043 5.944 -0.996 1.00 0.00 N ATOM 1914 CA ASP A 120 12.488 4.573 -1.424 1.00 0.00 C ATOM 1915 C ASP A 120 12.554 3.672 -0.187 1.00 0.00 C ATOM 1916 O ASP A 120 13.546 3.025 0.081 1.00 0.00 O ATOM 1917 CB ASP A 120 13.872 4.687 -2.076 1.00 0.00 C ATOM 1918 CG ASP A 120 14.843 5.369 -1.110 1.00 0.00 C ATOM 1919 OD1 ASP A 120 14.480 5.531 0.038 1.00 0.00 O ATOM 1920 OD2 ASP A 120 15.932 5.713 -1.537 1.00 0.00 O ATOM 0 H ASP A 120 12.691 6.421 -0.369 1.00 0.00 H new ATOM 0 HA ASP A 120 11.789 4.145 -2.142 1.00 0.00 H new ATOM 0 HB2 ASP A 120 14.243 3.697 -2.340 1.00 0.00 H new ATOM 0 HB3 ASP A 120 13.803 5.259 -3.001 1.00 0.00 H new ATOM 1925 N GLY A 121 11.505 3.666 0.586 1.00 0.00 N ATOM 1926 CA GLY A 121 11.474 2.860 1.846 1.00 0.00 C ATOM 1927 C GLY A 121 11.553 1.356 1.586 1.00 0.00 C ATOM 1928 O GLY A 121 12.171 0.885 0.652 1.00 0.00 O ATOM 0 H GLY A 121 10.652 4.193 0.398 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.306 3.158 2.484 1.00 0.00 H new ATOM 0 HA3 GLY A 121 10.557 3.083 2.392 1.00 0.00 H new ATOM 1932 N MET A 122 10.911 0.613 2.445 1.00 0.00 N ATOM 1933 CA MET A 122 10.884 -0.871 2.353 1.00 0.00 C ATOM 1934 C MET A 122 9.462 -1.307 2.695 1.00 0.00 C ATOM 1935 O MET A 122 8.751 -0.601 3.382 1.00 0.00 O ATOM 1936 CB MET A 122 11.866 -1.436 3.386 1.00 0.00 C ATOM 1937 CG MET A 122 11.995 -2.953 3.235 1.00 0.00 C ATOM 1938 SD MET A 122 13.031 -3.339 1.801 1.00 0.00 S ATOM 1939 CE MET A 122 14.622 -2.793 2.479 1.00 0.00 C ATOM 0 H MET A 122 10.386 0.990 3.234 1.00 0.00 H new ATOM 0 HA MET A 122 11.166 -1.226 1.362 1.00 0.00 H new ATOM 0 HB2 MET A 122 12.843 -0.969 3.261 1.00 0.00 H new ATOM 0 HB3 MET A 122 11.523 -1.193 4.392 1.00 0.00 H new ATOM 0 HG2 MET A 122 12.432 -3.382 4.137 1.00 0.00 H new ATOM 0 HG3 MET A 122 11.009 -3.401 3.114 1.00 0.00 H new ATOM 0 HE1 MET A 122 15.348 -3.603 2.401 1.00 0.00 H new ATOM 0 HE2 MET A 122 14.980 -1.930 1.918 1.00 0.00 H new ATOM 0 HE3 MET A 122 14.496 -2.518 3.526 1.00 0.00 H new ATOM 1949 N GLY A 123 9.014 -2.436 2.226 1.00 0.00 N ATOM 1950 CA GLY A 123 7.616 -2.844 2.548 1.00 0.00 C ATOM 1951 C GLY A 123 7.456 -4.355 2.454 1.00 0.00 C ATOM 1952 O GLY A 123 7.520 -4.945 1.392 1.00 0.00 O ATOM 0 H GLY A 123 9.542 -3.086 1.644 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.357 -2.509 3.552 1.00 0.00 H new ATOM 0 HA3 GLY A 123 6.923 -2.357 1.861 1.00 0.00 H new ATOM 1956 N CYS A 124 7.233 -4.976 3.581 1.00 0.00 N ATOM 1957 CA CYS A 124 7.039 -6.450 3.614 1.00 0.00 C ATOM 1958 C CYS A 124 5.591 -6.780 3.300 1.00 0.00 C ATOM 1959 O CYS A 124 4.675 -6.172 3.819 1.00 0.00 O ATOM 1960 CB CYS A 124 7.384 -7.014 4.991 1.00 0.00 C ATOM 1961 SG CYS A 124 7.431 -8.821 4.881 1.00 0.00 S ATOM 0 H CYS A 124 7.177 -4.517 4.490 1.00 0.00 H new ATOM 0 HA CYS A 124 7.699 -6.897 2.871 1.00 0.00 H new ATOM 0 HB2 CYS A 124 8.348 -6.630 5.326 1.00 0.00 H new ATOM 0 HB3 CYS A 124 6.643 -6.699 5.725 1.00 0.00 H new ATOM 0 HG CYS A 124 7.726 -9.319 6.045 1.00 0.00 H new ATOM 1967 N LEU A 125 5.382 -7.760 2.474 1.00 0.00 N ATOM 1968 CA LEU A 125 3.991 -8.186 2.116 1.00 0.00 C ATOM 1969 C LEU A 125 3.813 -9.637 2.555 1.00 0.00 C ATOM 1970 O LEU A 125 4.705 -10.441 2.421 1.00 0.00 O ATOM 1971 CB LEU A 125 3.819 -8.015 0.607 1.00 0.00 C ATOM 1972 CG LEU A 125 2.527 -8.675 0.117 1.00 0.00 C ATOM 1973 CD1 LEU A 125 1.330 -7.979 0.762 1.00 0.00 C ATOM 1974 CD2 LEU A 125 2.440 -8.547 -1.405 1.00 0.00 C ATOM 0 H LEU A 125 6.122 -8.297 2.021 1.00 0.00 H new ATOM 0 HA LEU A 125 3.232 -7.584 2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.805 -6.954 0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.673 -8.453 0.089 1.00 0.00 H new ATOM 0 HG LEU A 125 2.524 -9.730 0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.408 -8.446 0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.398 -8.069 1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.329 -6.925 0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.521 -9.016 -1.758 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.439 -7.493 -1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.298 -9.041 -1.861 1.00 0.00 H new ATOM 1986 N GLU A 126 2.682 -9.977 3.125 1.00 0.00 N ATOM 1987 CA GLU A 126 2.502 -11.388 3.614 1.00 0.00 C ATOM 1988 C GLU A 126 1.034 -11.833 3.561 1.00 0.00 C ATOM 1989 O GLU A 126 0.147 -11.140 4.017 1.00 0.00 O ATOM 1990 CB GLU A 126 2.956 -11.456 5.074 1.00 0.00 C ATOM 1991 CG GLU A 126 4.412 -11.006 5.193 1.00 0.00 C ATOM 1992 CD GLU A 126 4.927 -11.307 6.599 1.00 0.00 C ATOM 1993 OE1 GLU A 126 4.404 -10.725 7.536 1.00 0.00 O ATOM 1994 OE2 GLU A 126 5.840 -12.106 6.716 1.00 0.00 O ATOM 0 H GLU A 126 1.887 -9.355 3.273 1.00 0.00 H new ATOM 0 HA GLU A 126 3.088 -12.043 2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.320 -10.821 5.691 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.850 -12.474 5.449 1.00 0.00 H new ATOM 0 HG2 GLU A 126 5.024 -11.521 4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 126 4.492 -9.939 4.986 1.00 0.00 H new ATOM 2001 N PHE A 127 0.785 -13.016 3.064 1.00 0.00 N ATOM 2002 CA PHE A 127 -0.610 -13.554 3.043 1.00 0.00 C ATOM 2003 C PHE A 127 -0.920 -14.117 4.436 1.00 0.00 C ATOM 2004 O PHE A 127 -0.532 -15.225 4.748 1.00 0.00 O ATOM 2005 CB PHE A 127 -0.690 -14.679 1.986 1.00 0.00 C ATOM 2006 CG PHE A 127 -1.512 -14.255 0.800 1.00 0.00 C ATOM 2007 CD1 PHE A 127 -2.888 -14.486 0.805 1.00 0.00 C ATOM 2008 CD2 PHE A 127 -0.900 -13.671 -0.312 1.00 0.00 C ATOM 2009 CE1 PHE A 127 -3.661 -14.125 -0.299 1.00 0.00 C ATOM 2010 CE2 PHE A 127 -1.667 -13.311 -1.420 1.00 0.00 C ATOM 2011 CZ PHE A 127 -3.050 -13.538 -1.416 1.00 0.00 C ATOM 0 H PHE A 127 1.491 -13.637 2.669 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.330 -12.775 2.791 1.00 0.00 H new ATOM 0 HB2 PHE A 127 0.315 -14.946 1.658 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.127 -15.572 2.434 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -3.355 -14.945 1.664 1.00 0.00 H new ATOM 0 HD2 PHE A 127 0.166 -13.498 -0.314 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -4.727 -14.297 -0.293 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -1.196 -12.858 -2.280 1.00 0.00 H new ATOM 0 HZ PHE A 127 -3.645 -13.261 -2.274 1.00 0.00 H new ATOM 2021 N ASP A 128 -1.604 -13.388 5.280 1.00 0.00 N ATOM 2022 CA ASP A 128 -1.901 -13.939 6.641 1.00 0.00 C ATOM 2023 C ASP A 128 -3.178 -13.317 7.208 1.00 0.00 C ATOM 2024 O ASP A 128 -3.384 -13.282 8.406 1.00 0.00 O ATOM 2025 CB ASP A 128 -0.732 -13.622 7.569 1.00 0.00 C ATOM 2026 CG ASP A 128 -0.885 -14.431 8.851 1.00 0.00 C ATOM 2027 OD1 ASP A 128 -1.926 -15.045 9.018 1.00 0.00 O ATOM 2028 OD2 ASP A 128 0.036 -14.421 9.646 1.00 0.00 O ATOM 0 H ASP A 128 -1.965 -12.452 5.094 1.00 0.00 H new ATOM 0 HA ASP A 128 -2.043 -15.017 6.564 1.00 0.00 H new ATOM 0 HB2 ASP A 128 0.212 -13.864 7.081 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -0.710 -12.556 7.796 1.00 0.00 H new ATOM 2033 N GLU A 129 -4.003 -12.795 6.359 1.00 0.00 N ATOM 2034 CA GLU A 129 -5.262 -12.120 6.813 1.00 0.00 C ATOM 2035 C GLU A 129 -6.309 -13.128 7.315 1.00 0.00 C ATOM 2036 O GLU A 129 -6.778 -14.004 6.591 1.00 0.00 O ATOM 2037 CB GLU A 129 -5.834 -11.320 5.646 1.00 0.00 C ATOM 2038 CG GLU A 129 -4.814 -10.279 5.196 1.00 0.00 C ATOM 2039 CD GLU A 129 -3.645 -11.003 4.525 1.00 0.00 C ATOM 2040 OE1 GLU A 129 -3.863 -12.093 4.021 1.00 0.00 O ATOM 2041 OE2 GLU A 129 -2.549 -10.475 4.537 1.00 0.00 O ATOM 0 H GLU A 129 -3.866 -12.802 5.348 1.00 0.00 H new ATOM 0 HA GLU A 129 -5.019 -11.464 7.649 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -6.078 -11.987 4.819 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -6.761 -10.831 5.946 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -5.272 -9.575 4.501 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -4.461 -9.700 6.050 1.00 0.00 H new ATOM 2048 N GLU A 130 -6.722 -12.983 8.542 1.00 0.00 N ATOM 2049 CA GLU A 130 -7.762 -13.897 9.076 1.00 0.00 C ATOM 2050 C GLU A 130 -9.040 -13.697 8.259 1.00 0.00 C ATOM 2051 O GLU A 130 -9.848 -14.592 8.094 1.00 0.00 O ATOM 2052 CB GLU A 130 -8.010 -13.601 10.562 1.00 0.00 C ATOM 2053 CG GLU A 130 -8.724 -12.251 10.717 1.00 0.00 C ATOM 2054 CD GLU A 130 -8.788 -11.858 12.194 1.00 0.00 C ATOM 2055 OE1 GLU A 130 -9.550 -12.476 12.918 1.00 0.00 O ATOM 2056 OE2 GLU A 130 -8.086 -10.936 12.573 1.00 0.00 O ATOM 0 H GLU A 130 -6.385 -12.274 9.194 1.00 0.00 H new ATOM 0 HA GLU A 130 -7.435 -14.934 8.994 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -8.614 -14.394 11.003 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -7.063 -13.585 11.101 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -8.195 -11.484 10.151 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -9.731 -12.314 10.305 1.00 0.00 H new ATOM 2063 N ARG A 131 -9.225 -12.525 7.719 1.00 0.00 N ATOM 2064 CA ARG A 131 -10.428 -12.298 6.883 1.00 0.00 C ATOM 2065 C ARG A 131 -10.240 -13.043 5.554 1.00 0.00 C ATOM 2066 O ARG A 131 -11.163 -13.202 4.786 1.00 0.00 O ATOM 2067 CB ARG A 131 -10.708 -10.791 6.665 1.00 0.00 C ATOM 2068 CG ARG A 131 -9.403 -9.990 6.505 1.00 0.00 C ATOM 2069 CD ARG A 131 -9.674 -8.496 6.713 1.00 0.00 C ATOM 2070 NE ARG A 131 -8.366 -7.799 6.888 1.00 0.00 N ATOM 2071 CZ ARG A 131 -8.316 -6.496 6.931 1.00 0.00 C ATOM 2072 NH1 ARG A 131 -9.416 -5.799 6.830 1.00 0.00 N ATOM 2073 NH2 ARG A 131 -7.167 -5.892 7.094 1.00 0.00 N ATOM 0 H ARG A 131 -8.601 -11.725 7.821 1.00 0.00 H new ATOM 0 HA ARG A 131 -11.305 -12.688 7.399 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -11.327 -10.660 5.778 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -11.275 -10.400 7.510 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -8.663 -10.337 7.226 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -8.984 -10.157 5.513 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -10.211 -8.085 5.858 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -10.305 -8.343 7.589 1.00 0.00 H new ATOM 0 HE ARG A 131 -7.508 -8.343 6.974 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -10.312 -6.273 6.718 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -9.379 -4.780 6.863 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -6.312 -6.440 7.187 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -7.127 -4.873 7.128 1.00 0.00 H new ATOM 2087 N ALA A 132 -9.048 -13.544 5.295 1.00 0.00 N ATOM 2088 CA ALA A 132 -8.831 -14.322 4.037 1.00 0.00 C ATOM 2089 C ALA A 132 -9.569 -15.636 4.150 1.00 0.00 C ATOM 2090 O ALA A 132 -10.274 -16.044 3.248 1.00 0.00 O ATOM 2091 CB ALA A 132 -7.339 -14.632 3.820 1.00 0.00 C ATOM 0 H ALA A 132 -8.229 -13.447 5.896 1.00 0.00 H new ATOM 0 HA ALA A 132 -9.194 -13.727 3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.216 -15.199 2.897 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -6.780 -13.699 3.751 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -6.964 -15.218 4.659 1.00 0.00 H new ATOM 2097 N GLN A 133 -9.417 -16.320 5.245 1.00 0.00 N ATOM 2098 CA GLN A 133 -10.129 -17.624 5.349 1.00 0.00 C ATOM 2099 C GLN A 133 -11.656 -17.397 5.327 1.00 0.00 C ATOM 2100 O GLN A 133 -12.400 -18.156 4.715 1.00 0.00 O ATOM 2101 CB GLN A 133 -9.700 -18.384 6.619 1.00 0.00 C ATOM 2102 CG GLN A 133 -9.821 -17.494 7.846 1.00 0.00 C ATOM 2103 CD GLN A 133 -9.535 -18.315 9.105 1.00 0.00 C ATOM 2104 OE1 GLN A 133 -8.604 -19.095 9.141 1.00 0.00 O ATOM 2105 NE2 GLN A 133 -10.307 -18.172 10.147 1.00 0.00 N ATOM 0 H GLN A 133 -8.851 -16.048 6.049 1.00 0.00 H new ATOM 0 HA GLN A 133 -9.859 -18.238 4.490 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -10.321 -19.271 6.745 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -8.671 -18.727 6.513 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -9.120 -16.662 7.775 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -10.821 -17.064 7.899 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -11.088 -17.517 10.117 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -10.129 -18.715 10.992 1.00 0.00 H new ATOM 2114 N GLN A 134 -12.142 -16.359 5.969 1.00 0.00 N ATOM 2115 CA GLN A 134 -13.619 -16.120 5.961 1.00 0.00 C ATOM 2116 C GLN A 134 -14.079 -15.527 4.622 1.00 0.00 C ATOM 2117 O GLN A 134 -15.089 -15.924 4.080 1.00 0.00 O ATOM 2118 CB GLN A 134 -14.007 -15.175 7.124 1.00 0.00 C ATOM 2119 CG GLN A 134 -13.898 -13.699 6.712 1.00 0.00 C ATOM 2120 CD GLN A 134 -13.937 -12.817 7.960 1.00 0.00 C ATOM 2121 OE1 GLN A 134 -13.362 -13.157 8.975 1.00 0.00 O ATOM 2122 NE2 GLN A 134 -14.575 -11.680 7.921 1.00 0.00 N ATOM 0 H GLN A 134 -11.589 -15.678 6.490 1.00 0.00 H new ATOM 0 HA GLN A 134 -14.120 -17.079 6.094 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -15.027 -15.390 7.444 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -13.358 -15.364 7.979 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -12.971 -13.531 6.164 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -14.717 -13.436 6.042 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -15.058 -11.395 7.069 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -14.591 -11.076 8.743 1.00 0.00 H new ATOM 2131 N GLU A 135 -13.376 -14.559 4.100 1.00 0.00 N ATOM 2132 CA GLU A 135 -13.833 -13.943 2.822 1.00 0.00 C ATOM 2133 C GLU A 135 -13.750 -14.956 1.684 1.00 0.00 C ATOM 2134 O GLU A 135 -14.538 -14.919 0.763 1.00 0.00 O ATOM 2135 CB GLU A 135 -12.993 -12.698 2.503 1.00 0.00 C ATOM 2136 CG GLU A 135 -11.697 -13.089 1.789 1.00 0.00 C ATOM 2137 CD GLU A 135 -10.713 -11.919 1.822 1.00 0.00 C ATOM 2138 OE1 GLU A 135 -10.958 -10.981 2.562 1.00 0.00 O ATOM 2139 OE2 GLU A 135 -9.732 -11.982 1.107 1.00 0.00 O ATOM 0 H GLU A 135 -12.519 -14.173 4.495 1.00 0.00 H new ATOM 0 HA GLU A 135 -14.874 -13.638 2.932 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -13.568 -12.016 1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -12.760 -12.164 3.424 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -11.255 -13.961 2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -11.910 -13.368 0.757 1.00 0.00 H new ATOM 2146 N ASP A 136 -12.812 -15.864 1.731 1.00 0.00 N ATOM 2147 CA ASP A 136 -12.722 -16.863 0.631 1.00 0.00 C ATOM 2148 C ASP A 136 -14.036 -17.641 0.594 1.00 0.00 C ATOM 2149 O ASP A 136 -14.591 -17.897 -0.458 1.00 0.00 O ATOM 2150 CB ASP A 136 -11.528 -17.812 0.868 1.00 0.00 C ATOM 2151 CG ASP A 136 -11.875 -18.926 1.865 1.00 0.00 C ATOM 2152 OD1 ASP A 136 -12.823 -19.649 1.621 1.00 0.00 O ATOM 2153 OD2 ASP A 136 -11.162 -19.060 2.838 1.00 0.00 O ATOM 0 H ASP A 136 -12.116 -15.956 2.471 1.00 0.00 H new ATOM 0 HA ASP A 136 -12.560 -16.364 -0.325 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -11.222 -18.255 -0.080 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -10.678 -17.241 1.242 1.00 0.00 H new ATOM 2158 N ALA A 137 -14.557 -18.000 1.736 1.00 0.00 N ATOM 2159 CA ALA A 137 -15.852 -18.730 1.730 1.00 0.00 C ATOM 2160 C ALA A 137 -16.915 -17.814 1.106 1.00 0.00 C ATOM 2161 O ALA A 137 -17.655 -18.208 0.227 1.00 0.00 O ATOM 2162 CB ALA A 137 -16.261 -19.096 3.162 1.00 0.00 C ATOM 0 H ALA A 137 -14.150 -17.823 2.655 1.00 0.00 H new ATOM 0 HA ALA A 137 -15.757 -19.650 1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -17.211 -19.630 3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -15.496 -19.732 3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -16.367 -18.187 3.754 1.00 0.00 H new ATOM 2168 N LEU A 138 -16.986 -16.587 1.554 1.00 0.00 N ATOM 2169 CA LEU A 138 -17.989 -15.629 0.997 1.00 0.00 C ATOM 2170 C LEU A 138 -17.619 -15.233 -0.433 1.00 0.00 C ATOM 2171 O LEU A 138 -18.474 -14.924 -1.240 1.00 0.00 O ATOM 2172 CB LEU A 138 -18.035 -14.371 1.867 1.00 0.00 C ATOM 2173 CG LEU A 138 -18.484 -14.724 3.293 1.00 0.00 C ATOM 2174 CD1 LEU A 138 -18.364 -13.480 4.188 1.00 0.00 C ATOM 2175 CD2 LEU A 138 -19.948 -15.215 3.281 1.00 0.00 C ATOM 0 H LEU A 138 -16.388 -16.205 2.287 1.00 0.00 H new ATOM 0 HA LEU A 138 -18.965 -16.115 0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -17.051 -13.903 1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -18.721 -13.645 1.432 1.00 0.00 H new ATOM 0 HG LEU A 138 -17.848 -15.518 3.683 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -18.682 -13.728 5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -17.328 -13.143 4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -18.997 -12.685 3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -20.257 -15.463 4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -20.592 -14.429 2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -20.030 -16.101 2.651 1.00 0.00 H new ATOM 2187 N ALA A 139 -16.359 -15.207 -0.756 1.00 0.00 N ATOM 2188 CA ALA A 139 -15.982 -14.812 -2.138 1.00 0.00 C ATOM 2189 C ALA A 139 -16.626 -15.786 -3.110 1.00 0.00 C ATOM 2190 O ALA A 139 -17.034 -15.428 -4.195 1.00 0.00 O ATOM 2191 CB ALA A 139 -14.464 -14.851 -2.308 1.00 0.00 C ATOM 0 H ALA A 139 -15.584 -15.438 -0.134 1.00 0.00 H new ATOM 0 HA ALA A 139 -16.326 -13.796 -2.333 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -14.204 -14.559 -3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -14.001 -14.160 -1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.102 -15.861 -2.117 1.00 0.00 H new ATOM 2197 N GLN A 140 -16.728 -17.024 -2.718 1.00 0.00 N ATOM 2198 CA GLN A 140 -17.346 -18.040 -3.587 1.00 0.00 C ATOM 2199 C GLN A 140 -18.865 -18.009 -3.413 1.00 0.00 C ATOM 2200 O GLN A 140 -19.373 -18.010 -2.310 1.00 0.00 O ATOM 2201 CB GLN A 140 -16.815 -19.409 -3.180 1.00 0.00 C ATOM 2202 CG GLN A 140 -17.250 -20.430 -4.211 1.00 0.00 C ATOM 2203 CD GLN A 140 -16.805 -21.826 -3.775 1.00 0.00 C ATOM 2204 OE1 GLN A 140 -16.981 -22.211 -2.636 1.00 0.00 O ATOM 2205 NE2 GLN A 140 -16.244 -22.608 -4.652 1.00 0.00 N ATOM 0 H GLN A 140 -16.402 -17.372 -1.817 1.00 0.00 H new ATOM 0 HA GLN A 140 -17.104 -17.838 -4.630 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -15.728 -19.385 -3.108 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -17.194 -19.683 -2.195 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -18.333 -20.403 -4.328 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -16.818 -20.187 -5.182 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -16.098 -22.281 -5.607 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -15.951 -23.547 -4.384 1.00 0.00 H new ATOM 2214 N GLN A 141 -19.596 -17.993 -4.496 1.00 0.00 N ATOM 2215 CA GLN A 141 -21.086 -17.976 -4.393 1.00 0.00 C ATOM 2216 C GLN A 141 -21.602 -19.418 -4.456 1.00 0.00 C ATOM 2217 O GLN A 141 -22.504 -19.667 -5.236 1.00 0.00 O ATOM 2218 CB GLN A 141 -21.681 -17.187 -5.561 1.00 0.00 C ATOM 2219 CG GLN A 141 -21.154 -15.744 -5.563 1.00 0.00 C ATOM 2220 CD GLN A 141 -21.524 -15.044 -4.255 1.00 0.00 C ATOM 2221 OE1 GLN A 141 -22.589 -15.269 -3.711 1.00 0.00 O ATOM 2222 NE2 GLN A 141 -20.688 -14.190 -3.732 1.00 0.00 N ATOM 2223 OXT GLN A 141 -21.081 -20.247 -3.727 1.00 0.00 O ATOM 0 H GLN A 141 -19.227 -17.991 -5.447 1.00 0.00 H new ATOM 0 HA GLN A 141 -21.379 -17.507 -3.454 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -21.427 -17.674 -6.503 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -22.769 -17.183 -5.487 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -20.071 -15.745 -5.690 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -21.573 -15.197 -6.408 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -19.796 -14.003 -4.190 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -20.926 -13.709 -2.865 1.00 0.00 H new TER 2232 GLN A 141