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= -1.83 X(o=-1.8,f=-1.6!) USER MOD Single : A 10 SER OG : rot 82:sc= 1.18 USER MOD Single : A 11 LYS NZ :NH3+ 151:sc= -2.86! (180deg=-4.92!) USER MOD Single : A 14 ASN : amide:sc= -14.7! C(o=-15!,f=-4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 67:sc= -3.67! USER MOD Single : A 25 CYS SG : rot 67:sc= 0.33 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 165:sc= -0.629 USER MOD Single : A 30 THR OG1 : rot 180:sc= -2.23! USER MOD Single : A 37 HIS : no HD1:sc= 0.0123 X(o=0.012,f=-0.37) USER MOD Single : A 41 GLN : amide:sc= -0.857 K(o=-0.86,f=-4.1!) USER MOD Single : A 42 THR OG1 : rot 92:sc= 1.29 USER MOD Single : A 45 GLN : amide:sc= -1.99! X(o=-2!,f=-2.3) USER MOD Single : A 46 ASN : amide:sc= -10.3! C(o=-10!,f=-26!) USER MOD Single : A 48 CYS SG : rot -50:sc= -5.49! USER MOD Single : A 53 SER OG : rot 65:sc= 1 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -150:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.97! K(o=-2!,f=-0.67) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.69! K(o=-1.7!,f=-0.011) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -1.07! K(o=-1.1!,f=0) USER MOD Single : A 77 GLN : amide:sc= -6.36! C(o=-6.4!,f=-8.3!) USER MOD Single : A 79 GLN : amide:sc= -3.69! C(o=-3.7!,f=-1.1!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= -0.003 USER MOD Single : A 85 TYR OH : rot 180:sc= -0.0884 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 127:sc= -0.136 (180deg=-1.63) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 107 CYS SG : rot -129:sc= -13.3! USER MOD Single : A 111 LYS NZ :NH3+ -158:sc= -0.674 (180deg=-1.23) USER MOD Single : A 117 HIS : no HD1:sc= -8.32! C(o=-8.3!,f=-3.3!) USER MOD Single : A 122 MET CE :methyl 155:sc= -0.2 (180deg=-1.53) USER MOD Single : A 124 CYS SG : rot 180:sc= -0.927 USER MOD Single : A 133 GLN : amide:sc= -0.0531 K(o=-0.053,f=-2!) USER MOD Single : A 134 GLN : amide:sc= -0.944 K(o=-0.94,f=-0.021) USER MOD Single : A 140 GLN : amide:sc= -0.0572 K(o=-0.057,f=-1.1!) USER MOD Single : A 141 GLN : amide:sc= 0 X(o=0,f=-0.00015) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 -14.485 -25.869 6.316 1.00 0.00 N ATOM 2 CA VAL A 4 -14.172 -24.940 5.200 1.00 0.00 C ATOM 3 C VAL A 4 -13.654 -25.737 4.002 1.00 0.00 C ATOM 4 O VAL A 4 -13.237 -26.870 4.127 1.00 0.00 O ATOM 5 CB VAL A 4 -13.109 -23.945 5.670 1.00 0.00 C ATOM 6 CG1 VAL A 4 -13.137 -22.699 4.786 1.00 0.00 C ATOM 7 CG2 VAL A 4 -13.413 -23.540 7.113 1.00 0.00 C ATOM 0 HA VAL A 4 -15.069 -24.399 4.900 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.125 -24.409 5.608 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -12.378 -21.995 5.126 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -12.934 -22.981 3.753 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -14.120 -22.231 4.848 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -12.661 -22.831 7.458 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -14.398 -23.076 7.161 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.397 -24.424 7.750 1.00 0.00 H new ATOM 17 N VAL A 5 -13.684 -25.155 2.837 1.00 0.00 N ATOM 18 CA VAL A 5 -13.200 -25.886 1.636 1.00 0.00 C ATOM 19 C VAL A 5 -11.677 -26.046 1.732 1.00 0.00 C ATOM 20 O VAL A 5 -10.988 -25.111 2.085 1.00 0.00 O ATOM 21 CB VAL A 5 -13.590 -25.085 0.381 1.00 0.00 C ATOM 22 CG1 VAL A 5 -12.713 -23.839 0.246 1.00 0.00 C ATOM 23 CG2 VAL A 5 -13.415 -25.957 -0.857 1.00 0.00 C ATOM 0 H VAL A 5 -14.022 -24.208 2.665 1.00 0.00 H new ATOM 0 HA VAL A 5 -13.651 -26.876 1.576 1.00 0.00 H new ATOM 0 HB VAL A 5 -14.632 -24.778 0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -13.003 -23.285 -0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -12.843 -23.206 1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -11.668 -24.137 0.165 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -13.692 -25.388 -1.745 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.374 -26.271 -0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -14.054 -26.836 -0.776 1.00 0.00 H new ATOM 33 N PRO A 6 -11.134 -27.212 1.434 1.00 0.00 N ATOM 34 CA PRO A 6 -9.659 -27.422 1.512 1.00 0.00 C ATOM 35 C PRO A 6 -8.916 -26.796 0.331 1.00 0.00 C ATOM 36 O PRO A 6 -7.715 -26.932 0.202 1.00 0.00 O ATOM 37 CB PRO A 6 -9.512 -28.947 1.475 1.00 0.00 C ATOM 38 CG PRO A 6 -10.687 -29.425 0.689 1.00 0.00 C ATOM 39 CD PRO A 6 -11.830 -28.452 1.006 1.00 0.00 C ATOM 0 HA PRO A 6 -9.233 -26.956 2.401 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.574 -29.243 1.004 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.511 -29.369 2.480 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.466 -29.433 -0.378 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.954 -30.445 0.967 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.459 -28.276 0.133 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.478 -28.839 1.793 1.00 0.00 H new ATOM 47 N ASP A 7 -9.610 -26.139 -0.552 1.00 0.00 N ATOM 48 CA ASP A 7 -8.905 -25.552 -1.736 1.00 0.00 C ATOM 49 C ASP A 7 -8.211 -24.237 -1.364 1.00 0.00 C ATOM 50 O ASP A 7 -7.556 -23.622 -2.184 1.00 0.00 O ATOM 51 CB ASP A 7 -9.893 -25.328 -2.889 1.00 0.00 C ATOM 52 CG ASP A 7 -10.858 -24.170 -2.588 1.00 0.00 C ATOM 53 OD1 ASP A 7 -10.463 -23.233 -1.918 1.00 0.00 O ATOM 54 OD2 ASP A 7 -11.986 -24.243 -3.044 1.00 0.00 O ATOM 0 H ASP A 7 -10.617 -25.981 -0.513 1.00 0.00 H new ATOM 0 HA ASP A 7 -8.141 -26.258 -2.061 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -9.342 -25.115 -3.805 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.462 -26.241 -3.064 1.00 0.00 H new ATOM 59 N GLN A 8 -8.337 -23.802 -0.140 1.00 0.00 N ATOM 60 CA GLN A 8 -7.666 -22.538 0.283 1.00 0.00 C ATOM 61 C GLN A 8 -6.217 -22.884 0.609 1.00 0.00 C ATOM 62 O GLN A 8 -5.282 -22.428 -0.024 1.00 0.00 O ATOM 63 CB GLN A 8 -8.359 -22.008 1.537 1.00 0.00 C ATOM 64 CG GLN A 8 -9.861 -21.944 1.280 1.00 0.00 C ATOM 65 CD GLN A 8 -10.577 -21.426 2.523 1.00 0.00 C ATOM 66 OE1 GLN A 8 -9.979 -21.285 3.570 1.00 0.00 O ATOM 67 NE2 GLN A 8 -11.850 -21.147 2.455 1.00 0.00 N ATOM 0 H GLN A 8 -8.877 -24.269 0.588 1.00 0.00 H new ATOM 0 HA GLN A 8 -7.715 -21.781 -0.499 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.149 -22.657 2.387 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.977 -21.019 1.790 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.066 -21.291 0.432 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.237 -22.933 1.019 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.352 -21.266 1.575 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.343 -20.810 3.282 1.00 0.00 H new ATOM 76 N ARG A 9 -6.041 -23.707 1.601 1.00 0.00 N ATOM 77 CA ARG A 9 -4.672 -24.135 1.994 1.00 0.00 C ATOM 78 C ARG A 9 -3.934 -24.713 0.779 1.00 0.00 C ATOM 79 O ARG A 9 -2.740 -24.557 0.643 1.00 0.00 O ATOM 80 CB ARG A 9 -4.742 -25.187 3.104 1.00 0.00 C ATOM 81 CG ARG A 9 -3.320 -25.492 3.581 1.00 0.00 C ATOM 82 CD ARG A 9 -3.367 -26.500 4.725 1.00 0.00 C ATOM 83 NE ARG A 9 -3.882 -27.799 4.209 1.00 0.00 N ATOM 84 CZ ARG A 9 -3.816 -28.870 4.952 1.00 0.00 C ATOM 85 NH1 ARG A 9 -3.253 -28.816 6.126 1.00 0.00 N ATOM 86 NH2 ARG A 9 -4.308 -29.995 4.522 1.00 0.00 N ATOM 0 H ARG A 9 -6.794 -24.106 2.162 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.128 -23.266 2.365 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.349 -24.822 3.933 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.220 -26.095 2.735 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.727 -25.890 2.757 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.832 -24.575 3.911 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.372 -26.632 5.151 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.010 -26.132 5.525 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.287 -27.852 3.274 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.864 -27.936 6.465 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.202 -29.653 6.706 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.747 -30.041 3.602 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.255 -30.831 5.105 1.00 0.00 H new ATOM 100 N SER A 10 -4.632 -25.431 -0.075 1.00 0.00 N ATOM 101 CA SER A 10 -3.959 -26.058 -1.262 1.00 0.00 C ATOM 102 C SER A 10 -3.357 -25.010 -2.206 1.00 0.00 C ATOM 103 O SER A 10 -2.202 -25.091 -2.564 1.00 0.00 O ATOM 104 CB SER A 10 -4.972 -26.890 -2.051 1.00 0.00 C ATOM 105 OG SER A 10 -5.529 -27.884 -1.208 1.00 0.00 O ATOM 0 H SER A 10 -5.634 -25.609 -0.002 1.00 0.00 H new ATOM 0 HA SER A 10 -3.153 -26.684 -0.879 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.760 -26.247 -2.442 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.486 -27.356 -2.908 1.00 0.00 H new ATOM 0 HG SER A 10 -6.245 -27.490 -0.667 1.00 0.00 H new ATOM 111 N LYS A 11 -4.111 -24.041 -2.648 1.00 0.00 N ATOM 112 CA LYS A 11 -3.498 -23.055 -3.584 1.00 0.00 C ATOM 113 C LYS A 11 -2.420 -22.264 -2.849 1.00 0.00 C ATOM 114 O LYS A 11 -1.362 -21.991 -3.374 1.00 0.00 O ATOM 115 CB LYS A 11 -4.565 -22.110 -4.162 1.00 0.00 C ATOM 116 CG LYS A 11 -4.998 -21.061 -3.133 1.00 0.00 C ATOM 117 CD LYS A 11 -6.206 -20.302 -3.681 1.00 0.00 C ATOM 118 CE LYS A 11 -6.535 -19.123 -2.765 1.00 0.00 C ATOM 119 NZ LYS A 11 -5.506 -18.058 -2.919 1.00 0.00 N ATOM 0 H LYS A 11 -5.092 -23.890 -2.412 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.045 -23.591 -4.418 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.171 -21.612 -5.048 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.432 -22.689 -4.481 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.251 -21.542 -2.188 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.179 -20.371 -2.930 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.996 -19.944 -4.689 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.065 -20.970 -3.753 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.521 -18.726 -3.009 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.573 -19.457 -1.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.934 -17.131 -2.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.728 -18.228 -2.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.136 -18.071 -3.891 1.00 0.00 H new ATOM 133 N PHE A 12 -2.683 -21.894 -1.637 1.00 0.00 N ATOM 134 CA PHE A 12 -1.680 -21.125 -0.859 1.00 0.00 C ATOM 135 C PHE A 12 -0.428 -21.975 -0.559 1.00 0.00 C ATOM 136 O PHE A 12 0.677 -21.475 -0.548 1.00 0.00 O ATOM 137 CB PHE A 12 -2.321 -20.635 0.446 1.00 0.00 C ATOM 138 CG PHE A 12 -1.253 -20.184 1.425 1.00 0.00 C ATOM 139 CD1 PHE A 12 -0.649 -21.123 2.271 1.00 0.00 C ATOM 140 CD2 PHE A 12 -0.875 -18.835 1.491 1.00 0.00 C ATOM 141 CE1 PHE A 12 0.331 -20.716 3.185 1.00 0.00 C ATOM 142 CE2 PHE A 12 0.102 -18.433 2.411 1.00 0.00 C ATOM 143 CZ PHE A 12 0.703 -19.371 3.255 1.00 0.00 C ATOM 0 H PHE A 12 -3.555 -22.091 -1.145 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.358 -20.270 -1.453 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.002 -19.810 0.236 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.915 -21.434 0.889 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.939 -22.162 2.218 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.335 -18.110 0.836 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.799 -21.441 3.835 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.392 -17.394 2.468 1.00 0.00 H new ATOM 0 HZ PHE A 12 1.456 -19.056 3.962 1.00 0.00 H new ATOM 153 N GLU A 13 -0.578 -23.232 -0.241 1.00 0.00 N ATOM 154 CA GLU A 13 0.634 -24.037 0.114 1.00 0.00 C ATOM 155 C GLU A 13 1.479 -24.404 -1.110 1.00 0.00 C ATOM 156 O GLU A 13 2.665 -24.636 -0.983 1.00 0.00 O ATOM 157 CB GLU A 13 0.231 -25.315 0.866 1.00 0.00 C ATOM 158 CG GLU A 13 -0.330 -26.355 -0.106 1.00 0.00 C ATOM 159 CD GLU A 13 -0.999 -27.486 0.682 1.00 0.00 C ATOM 160 OE1 GLU A 13 -0.915 -27.462 1.899 1.00 0.00 O ATOM 161 OE2 GLU A 13 -1.581 -28.356 0.055 1.00 0.00 O ATOM 0 H GLU A 13 -1.467 -23.732 -0.210 1.00 0.00 H new ATOM 0 HA GLU A 13 1.247 -23.407 0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.096 -25.725 1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.515 -25.078 1.624 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.052 -25.889 -0.777 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.471 -26.755 -0.728 1.00 0.00 H new ATOM 168 N ASN A 14 0.901 -24.507 -2.284 1.00 0.00 N ATOM 169 CA ASN A 14 1.720 -24.918 -3.472 1.00 0.00 C ATOM 170 C ASN A 14 2.184 -23.716 -4.298 1.00 0.00 C ATOM 171 O ASN A 14 3.082 -23.842 -5.106 1.00 0.00 O ATOM 172 CB ASN A 14 0.893 -25.851 -4.356 1.00 0.00 C ATOM 173 CG ASN A 14 -0.303 -25.099 -4.943 1.00 0.00 C ATOM 174 OD1 ASN A 14 -1.038 -25.644 -5.743 1.00 0.00 O ATOM 175 ND2 ASN A 14 -0.534 -23.874 -4.580 1.00 0.00 N ATOM 0 H ASN A 14 -0.086 -24.328 -2.471 1.00 0.00 H new ATOM 0 HA ASN A 14 2.610 -25.427 -3.102 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.513 -26.247 -5.160 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.545 -26.703 -3.773 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.332 -23.370 -4.966 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.082 -23.416 -3.909 1.00 0.00 H new ATOM 182 N GLU A 15 1.613 -22.551 -4.127 1.00 0.00 N ATOM 183 CA GLU A 15 2.088 -21.387 -4.938 1.00 0.00 C ATOM 184 C GLU A 15 3.311 -20.761 -4.270 1.00 0.00 C ATOM 185 O GLU A 15 3.268 -20.325 -3.137 1.00 0.00 O ATOM 186 CB GLU A 15 0.966 -20.356 -5.111 1.00 0.00 C ATOM 187 CG GLU A 15 -0.063 -20.873 -6.121 1.00 0.00 C ATOM 188 CD GLU A 15 0.548 -20.890 -7.526 1.00 0.00 C ATOM 189 OE1 GLU A 15 0.555 -19.848 -8.163 1.00 0.00 O ATOM 190 OE2 GLU A 15 0.991 -21.946 -7.945 1.00 0.00 O ATOM 0 H GLU A 15 0.853 -22.356 -3.475 1.00 0.00 H new ATOM 0 HA GLU A 15 2.373 -21.735 -5.931 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.484 -20.165 -4.152 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.381 -19.408 -5.453 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.386 -21.876 -5.843 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.949 -20.238 -6.108 1.00 0.00 H new ATOM 197 N GLU A 16 4.411 -20.734 -4.967 1.00 0.00 N ATOM 198 CA GLU A 16 5.654 -20.156 -4.397 1.00 0.00 C ATOM 199 C GLU A 16 5.629 -18.629 -4.538 1.00 0.00 C ATOM 200 O GLU A 16 6.502 -17.938 -4.065 1.00 0.00 O ATOM 201 CB GLU A 16 6.863 -20.743 -5.128 1.00 0.00 C ATOM 202 CG GLU A 16 8.126 -20.534 -4.291 1.00 0.00 C ATOM 203 CD GLU A 16 9.323 -21.130 -5.026 1.00 0.00 C ATOM 204 OE1 GLU A 16 9.640 -20.640 -6.097 1.00 0.00 O ATOM 205 OE2 GLU A 16 9.906 -22.067 -4.505 1.00 0.00 O ATOM 0 H GLU A 16 4.501 -21.092 -5.918 1.00 0.00 H new ATOM 0 HA GLU A 16 5.724 -20.403 -3.338 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.708 -21.806 -5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.978 -20.266 -6.101 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.286 -19.471 -4.113 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.012 -21.006 -3.315 1.00 0.00 H new ATOM 212 N PHE A 17 4.656 -18.102 -5.221 1.00 0.00 N ATOM 213 CA PHE A 17 4.595 -16.624 -5.429 1.00 0.00 C ATOM 214 C PHE A 17 4.627 -15.870 -4.089 1.00 0.00 C ATOM 215 O PHE A 17 4.821 -14.673 -4.072 1.00 0.00 O ATOM 216 CB PHE A 17 3.314 -16.279 -6.230 1.00 0.00 C ATOM 217 CG PHE A 17 2.808 -14.879 -5.887 1.00 0.00 C ATOM 218 CD1 PHE A 17 3.576 -13.745 -6.193 1.00 0.00 C ATOM 219 CD2 PHE A 17 1.577 -14.731 -5.232 1.00 0.00 C ATOM 220 CE1 PHE A 17 3.112 -12.468 -5.836 1.00 0.00 C ATOM 221 CE2 PHE A 17 1.114 -13.456 -4.884 1.00 0.00 C ATOM 222 CZ PHE A 17 1.881 -12.329 -5.181 1.00 0.00 C ATOM 0 H PHE A 17 3.895 -18.630 -5.648 1.00 0.00 H new ATOM 0 HA PHE A 17 5.471 -16.307 -5.995 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.522 -16.342 -7.298 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.538 -17.013 -6.013 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.522 -13.854 -6.702 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.985 -15.602 -4.995 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.703 -11.594 -6.066 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.162 -13.345 -4.385 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.525 -11.347 -4.905 1.00 0.00 H new ATOM 232 N PHE A 18 4.435 -16.514 -2.968 1.00 0.00 N ATOM 233 CA PHE A 18 4.465 -15.732 -1.704 1.00 0.00 C ATOM 234 C PHE A 18 5.908 -15.439 -1.311 1.00 0.00 C ATOM 235 O PHE A 18 6.312 -14.297 -1.204 1.00 0.00 O ATOM 236 CB PHE A 18 3.783 -16.523 -0.607 1.00 0.00 C ATOM 237 CG PHE A 18 2.453 -16.977 -1.137 1.00 0.00 C ATOM 238 CD1 PHE A 18 1.456 -16.036 -1.432 1.00 0.00 C ATOM 239 CD2 PHE A 18 2.217 -18.333 -1.347 1.00 0.00 C ATOM 240 CE1 PHE A 18 0.219 -16.463 -1.932 1.00 0.00 C ATOM 241 CE2 PHE A 18 0.989 -18.755 -1.844 1.00 0.00 C ATOM 242 CZ PHE A 18 -0.013 -17.826 -2.137 1.00 0.00 C ATOM 0 H PHE A 18 4.264 -17.515 -2.875 1.00 0.00 H new ATOM 0 HA PHE A 18 3.940 -14.788 -1.849 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.392 -17.379 -0.316 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.651 -15.908 0.283 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.642 -14.984 -1.274 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.987 -19.056 -1.124 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.552 -15.742 -2.158 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.808 -19.808 -2.005 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.965 -18.161 -2.521 1.00 0.00 H new ATOM 252 N ARG A 19 6.703 -16.444 -1.106 1.00 0.00 N ATOM 253 CA ARG A 19 8.111 -16.176 -0.732 1.00 0.00 C ATOM 254 C ARG A 19 8.785 -15.367 -1.842 1.00 0.00 C ATOM 255 O ARG A 19 9.640 -14.547 -1.588 1.00 0.00 O ATOM 256 CB ARG A 19 8.872 -17.499 -0.489 1.00 0.00 C ATOM 257 CG ARG A 19 8.275 -18.627 -1.353 1.00 0.00 C ATOM 258 CD ARG A 19 7.161 -19.355 -0.586 1.00 0.00 C ATOM 259 NE ARG A 19 7.758 -20.448 0.228 1.00 0.00 N ATOM 260 CZ ARG A 19 7.048 -21.020 1.153 1.00 0.00 C ATOM 261 NH1 ARG A 19 5.807 -20.659 1.330 1.00 0.00 N ATOM 262 NH2 ARG A 19 7.569 -21.959 1.893 1.00 0.00 N ATOM 0 H ARG A 19 6.443 -17.428 -1.180 1.00 0.00 H new ATOM 0 HA ARG A 19 8.131 -15.602 0.195 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.927 -17.368 -0.728 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.815 -17.771 0.565 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.877 -18.213 -2.279 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.057 -19.334 -1.630 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.630 -18.655 0.058 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.430 -19.763 -1.284 1.00 0.00 H new ATOM 0 HE ARG A 19 8.719 -20.746 0.061 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.399 -19.931 0.743 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.245 -21.105 2.055 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.537 -22.246 1.746 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.009 -22.406 2.619 1.00 0.00 H new ATOM 276 N LYS A 20 8.437 -15.598 -3.076 1.00 0.00 N ATOM 277 CA LYS A 20 9.119 -14.837 -4.156 1.00 0.00 C ATOM 278 C LYS A 20 8.915 -13.328 -4.008 1.00 0.00 C ATOM 279 O LYS A 20 9.865 -12.577 -4.080 1.00 0.00 O ATOM 280 CB LYS A 20 8.610 -15.298 -5.516 1.00 0.00 C ATOM 281 CG LYS A 20 9.060 -16.733 -5.744 1.00 0.00 C ATOM 282 CD LYS A 20 8.560 -17.215 -7.106 1.00 0.00 C ATOM 283 CE LYS A 20 9.381 -16.586 -8.238 1.00 0.00 C ATOM 284 NZ LYS A 20 9.168 -17.383 -9.472 1.00 0.00 N ATOM 0 H LYS A 20 7.727 -16.265 -3.379 1.00 0.00 H new ATOM 0 HA LYS A 20 10.188 -15.035 -4.076 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.523 -15.232 -5.555 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.997 -14.651 -6.303 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.147 -16.795 -5.701 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.673 -17.377 -4.954 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.629 -18.301 -7.161 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.508 -16.956 -7.225 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.076 -15.552 -8.398 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.439 -16.570 -7.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.719 -16.970 -10.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.478 -18.362 -9.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.158 -17.376 -9.720 1.00 0.00 H new ATOM 298 N LEU A 21 7.703 -12.863 -3.798 1.00 0.00 N ATOM 299 CA LEU A 21 7.479 -11.376 -3.651 1.00 0.00 C ATOM 300 C LEU A 21 6.829 -11.048 -2.300 1.00 0.00 C ATOM 301 O LEU A 21 7.003 -9.968 -1.777 1.00 0.00 O ATOM 302 CB LEU A 21 6.567 -10.864 -4.794 1.00 0.00 C ATOM 303 CG LEU A 21 7.403 -10.440 -6.023 1.00 0.00 C ATOM 304 CD1 LEU A 21 8.006 -11.668 -6.727 1.00 0.00 C ATOM 305 CD2 LEU A 21 6.503 -9.686 -7.007 1.00 0.00 C ATOM 0 H LEU A 21 6.864 -13.438 -3.722 1.00 0.00 H new ATOM 0 HA LEU A 21 8.449 -10.882 -3.702 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.864 -11.646 -5.081 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.977 -10.018 -4.442 1.00 0.00 H new ATOM 0 HG LEU A 21 8.217 -9.798 -5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.590 -11.343 -7.588 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.652 -12.205 -6.032 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.204 -12.327 -7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.087 -9.384 -7.876 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.688 -10.336 -7.325 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.093 -8.801 -6.520 1.00 0.00 H new ATOM 317 N SER A 22 6.069 -11.946 -1.736 1.00 0.00 N ATOM 318 CA SER A 22 5.409 -11.624 -0.440 1.00 0.00 C ATOM 319 C SER A 22 6.416 -11.749 0.698 1.00 0.00 C ATOM 320 O SER A 22 6.235 -12.505 1.630 1.00 0.00 O ATOM 321 CB SER A 22 4.218 -12.552 -0.210 1.00 0.00 C ATOM 322 OG SER A 22 4.666 -13.789 0.325 1.00 0.00 O ATOM 0 H SER A 22 5.878 -12.876 -2.110 1.00 0.00 H new ATOM 0 HA SER A 22 5.042 -10.598 -0.471 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.509 -12.085 0.474 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.691 -12.721 -1.149 1.00 0.00 H new ATOM 0 HG SER A 22 5.024 -13.645 1.226 1.00 0.00 H new ATOM 328 N ARG A 23 7.479 -11.000 0.625 1.00 0.00 N ATOM 329 CA ARG A 23 8.523 -11.051 1.689 1.00 0.00 C ATOM 330 C ARG A 23 9.055 -9.619 1.894 1.00 0.00 C ATOM 331 O ARG A 23 8.607 -8.700 1.232 1.00 0.00 O ATOM 332 CB ARG A 23 9.643 -11.977 1.205 1.00 0.00 C ATOM 333 CG ARG A 23 10.444 -12.507 2.394 1.00 0.00 C ATOM 334 CD ARG A 23 11.464 -13.531 1.901 1.00 0.00 C ATOM 335 NE ARG A 23 12.507 -12.839 1.101 1.00 0.00 N ATOM 336 CZ ARG A 23 13.643 -13.425 0.848 1.00 0.00 C ATOM 337 NH1 ARG A 23 13.885 -14.626 1.303 1.00 0.00 N ATOM 338 NH2 ARG A 23 14.543 -12.802 0.145 1.00 0.00 N ATOM 0 H ARG A 23 7.673 -10.347 -0.134 1.00 0.00 H new ATOM 0 HA ARG A 23 8.127 -11.428 2.632 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.219 -12.809 0.644 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.302 -11.437 0.525 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.952 -11.686 2.900 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.775 -12.965 3.122 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.920 -14.044 2.748 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.970 -14.291 1.296 1.00 0.00 H new ATOM 0 HE ARG A 23 12.333 -11.898 0.747 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.182 -15.111 1.860 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.777 -15.078 1.101 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.357 -11.862 -0.204 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.435 -13.254 -0.057 1.00 0.00 H new ATOM 352 N GLU A 24 9.993 -9.404 2.790 1.00 0.00 N ATOM 353 CA GLU A 24 10.529 -8.019 2.977 1.00 0.00 C ATOM 354 C GLU A 24 11.159 -7.547 1.654 1.00 0.00 C ATOM 355 O GLU A 24 12.143 -8.098 1.206 1.00 0.00 O ATOM 356 CB GLU A 24 11.581 -8.010 4.105 1.00 0.00 C ATOM 357 CG GLU A 24 12.789 -8.876 3.726 1.00 0.00 C ATOM 358 CD GLU A 24 13.582 -9.237 4.986 1.00 0.00 C ATOM 359 OE1 GLU A 24 13.507 -8.485 5.945 1.00 0.00 O ATOM 360 OE2 GLU A 24 14.251 -10.255 4.964 1.00 0.00 O ATOM 0 H GLU A 24 10.404 -10.118 3.391 1.00 0.00 H new ATOM 0 HA GLU A 24 9.721 -7.343 3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.906 -6.988 4.298 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.136 -8.382 5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.455 -9.783 3.223 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.427 -8.339 3.024 1.00 0.00 H new ATOM 367 N CYS A 25 10.604 -6.538 1.012 1.00 0.00 N ATOM 368 CA CYS A 25 11.198 -6.050 -0.282 1.00 0.00 C ATOM 369 C CYS A 25 11.329 -4.529 -0.261 1.00 0.00 C ATOM 370 O CYS A 25 10.657 -3.846 0.489 1.00 0.00 O ATOM 371 CB CYS A 25 10.317 -6.477 -1.453 1.00 0.00 C ATOM 372 SG CYS A 25 10.290 -8.281 -1.550 1.00 0.00 S ATOM 0 H CYS A 25 9.773 -6.036 1.325 1.00 0.00 H new ATOM 0 HA CYS A 25 12.189 -6.489 -0.401 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.305 -6.093 -1.321 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.699 -6.057 -2.383 1.00 0.00 H new ATOM 0 HG CYS A 25 9.674 -8.762 -0.511 1.00 0.00 H new ATOM 378 N GLU A 26 12.187 -3.997 -1.092 1.00 0.00 N ATOM 379 CA GLU A 26 12.370 -2.517 -1.149 1.00 0.00 C ATOM 380 C GLU A 26 11.133 -1.891 -1.816 1.00 0.00 C ATOM 381 O GLU A 26 10.566 -2.469 -2.723 1.00 0.00 O ATOM 382 CB GLU A 26 13.629 -2.190 -1.968 1.00 0.00 C ATOM 383 CG GLU A 26 14.872 -2.821 -1.315 1.00 0.00 C ATOM 384 CD GLU A 26 15.083 -2.243 0.089 1.00 0.00 C ATOM 385 OE1 GLU A 26 14.440 -2.723 1.009 1.00 0.00 O ATOM 386 OE2 GLU A 26 15.893 -1.340 0.222 1.00 0.00 O ATOM 0 H GLU A 26 12.772 -4.528 -1.737 1.00 0.00 H new ATOM 0 HA GLU A 26 12.487 -2.114 -0.143 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.516 -2.563 -2.986 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.755 -1.110 -2.037 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.752 -3.903 -1.257 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.751 -2.631 -1.930 1.00 0.00 H new ATOM 393 N ILE A 27 10.702 -0.719 -1.385 1.00 0.00 N ATOM 394 CA ILE A 27 9.494 -0.083 -2.020 1.00 0.00 C ATOM 395 C ILE A 27 9.755 1.404 -2.296 1.00 0.00 C ATOM 396 O ILE A 27 10.470 2.088 -1.564 1.00 0.00 O ATOM 397 CB ILE A 27 8.274 -0.233 -1.097 1.00 0.00 C ATOM 398 CG1 ILE A 27 8.412 0.679 0.134 1.00 0.00 C ATOM 399 CG2 ILE A 27 8.145 -1.685 -0.651 1.00 0.00 C ATOM 400 CD1 ILE A 27 7.188 0.505 1.033 1.00 0.00 C ATOM 0 H ILE A 27 11.130 -0.182 -0.630 1.00 0.00 H new ATOM 0 HA ILE A 27 9.293 -0.587 -2.966 1.00 0.00 H new ATOM 0 HB ILE A 27 7.380 0.060 -1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.320 0.431 0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.503 1.719 -0.178 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.279 -1.789 0.003 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.018 -2.324 -1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.045 -1.981 -0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.283 1.150 1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.289 0.774 0.479 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.118 -0.534 1.355 1.00 0.00 H new ATOM 412 N LYS A 28 9.155 1.906 -3.347 1.00 0.00 N ATOM 413 CA LYS A 28 9.326 3.336 -3.721 1.00 0.00 C ATOM 414 C LYS A 28 7.989 3.886 -4.253 1.00 0.00 C ATOM 415 O LYS A 28 7.344 3.273 -5.091 1.00 0.00 O ATOM 416 CB LYS A 28 10.393 3.414 -4.811 1.00 0.00 C ATOM 417 CG LYS A 28 10.786 4.870 -5.051 1.00 0.00 C ATOM 418 CD LYS A 28 11.676 4.952 -6.294 1.00 0.00 C ATOM 419 CE LYS A 28 12.962 4.156 -6.054 1.00 0.00 C ATOM 420 NZ LYS A 28 14.024 4.654 -6.965 1.00 0.00 N ATOM 0 H LYS A 28 8.546 1.374 -3.968 1.00 0.00 H new ATOM 0 HA LYS A 28 9.630 3.927 -2.857 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.269 2.836 -4.517 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.015 2.973 -5.734 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.894 5.482 -5.186 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.315 5.264 -4.183 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.147 4.556 -7.160 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.915 5.992 -6.515 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.279 4.259 -5.016 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.785 3.095 -6.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.899 4.116 -6.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.719 4.534 -7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.198 5.662 -6.777 1.00 0.00 H new ATOM 434 N TYR A 29 7.565 5.030 -3.762 1.00 0.00 N ATOM 435 CA TYR A 29 6.263 5.618 -4.219 1.00 0.00 C ATOM 436 C TYR A 29 6.318 5.931 -5.727 1.00 0.00 C ATOM 437 O TYR A 29 7.363 6.239 -6.264 1.00 0.00 O ATOM 438 CB TYR A 29 6.002 6.907 -3.429 1.00 0.00 C ATOM 439 CG TYR A 29 4.579 7.360 -3.650 1.00 0.00 C ATOM 440 CD1 TYR A 29 4.235 8.023 -4.831 1.00 0.00 C ATOM 441 CD2 TYR A 29 3.604 7.122 -2.672 1.00 0.00 C ATOM 442 CE1 TYR A 29 2.916 8.449 -5.038 1.00 0.00 C ATOM 443 CE2 TYR A 29 2.289 7.550 -2.877 1.00 0.00 C ATOM 444 CZ TYR A 29 1.943 8.212 -4.058 1.00 0.00 C ATOM 445 OH TYR A 29 0.642 8.638 -4.251 1.00 0.00 O ATOM 0 H TYR A 29 8.065 5.581 -3.065 1.00 0.00 H new ATOM 0 HA TYR A 29 5.458 4.904 -4.045 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.179 6.736 -2.367 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.695 7.686 -3.746 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.986 8.207 -5.585 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.868 6.608 -1.760 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.650 8.959 -5.952 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.539 7.369 -2.121 1.00 0.00 H new ATOM 0 HH TYR A 29 0.054 8.199 -3.601 1.00 0.00 H new ATOM 455 N THR A 30 5.201 5.837 -6.420 1.00 0.00 N ATOM 456 CA THR A 30 5.196 6.113 -7.895 1.00 0.00 C ATOM 457 C THR A 30 4.908 7.593 -8.154 1.00 0.00 C ATOM 458 O THR A 30 3.906 8.132 -7.724 1.00 0.00 O ATOM 459 CB THR A 30 4.121 5.255 -8.573 1.00 0.00 C ATOM 460 OG1 THR A 30 4.261 3.904 -8.156 1.00 0.00 O ATOM 461 CG2 THR A 30 4.287 5.330 -10.090 1.00 0.00 C ATOM 0 H THR A 30 4.295 5.581 -6.026 1.00 0.00 H new ATOM 0 HA THR A 30 6.175 5.866 -8.305 1.00 0.00 H new ATOM 0 HB THR A 30 3.135 5.627 -8.294 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.573 3.355 -8.588 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.522 4.720 -10.570 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.184 6.365 -10.417 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.274 4.959 -10.367 1.00 0.00 H new ATOM 469 N GLY A 31 5.775 8.256 -8.868 1.00 0.00 N ATOM 470 CA GLY A 31 5.549 9.696 -9.168 1.00 0.00 C ATOM 471 C GLY A 31 6.596 10.191 -10.162 1.00 0.00 C ATOM 472 O GLY A 31 7.531 9.490 -10.500 1.00 0.00 O ATOM 0 H GLY A 31 6.631 7.861 -9.257 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.549 9.838 -9.579 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.602 10.280 -8.249 1.00 0.00 H new ATOM 476 N PHE A 32 6.440 11.398 -10.635 1.00 0.00 N ATOM 477 CA PHE A 32 7.416 11.954 -11.616 1.00 0.00 C ATOM 478 C PHE A 32 8.598 12.597 -10.869 1.00 0.00 C ATOM 479 O PHE A 32 8.562 13.758 -10.508 1.00 0.00 O ATOM 480 CB PHE A 32 6.715 13.015 -12.475 1.00 0.00 C ATOM 481 CG PHE A 32 5.557 12.402 -13.241 1.00 0.00 C ATOM 482 CD1 PHE A 32 5.796 11.679 -14.417 1.00 0.00 C ATOM 483 CD2 PHE A 32 4.245 12.581 -12.788 1.00 0.00 C ATOM 484 CE1 PHE A 32 4.724 11.133 -15.135 1.00 0.00 C ATOM 485 CE2 PHE A 32 3.172 12.039 -13.509 1.00 0.00 C ATOM 486 CZ PHE A 32 3.414 11.315 -14.684 1.00 0.00 C ATOM 0 H PHE A 32 5.676 12.025 -10.383 1.00 0.00 H new ATOM 0 HA PHE A 32 7.790 11.152 -12.252 1.00 0.00 H new ATOM 0 HB2 PHE A 32 6.351 13.823 -11.840 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.428 13.455 -13.173 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.807 11.542 -14.770 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.059 13.138 -11.881 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.910 10.571 -16.038 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.160 12.179 -13.159 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.588 10.898 -15.241 1.00 0.00 H new ATOM 496 N ARG A 33 9.644 11.847 -10.648 1.00 0.00 N ATOM 497 CA ARG A 33 10.848 12.395 -9.936 1.00 0.00 C ATOM 498 C ARG A 33 11.503 13.522 -10.759 1.00 0.00 C ATOM 499 O ARG A 33 12.663 13.826 -10.580 1.00 0.00 O ATOM 500 CB ARG A 33 11.874 11.271 -9.712 1.00 0.00 C ATOM 501 CG ARG A 33 11.236 10.146 -8.890 1.00 0.00 C ATOM 502 CD ARG A 33 12.308 9.151 -8.431 1.00 0.00 C ATOM 503 NE ARG A 33 13.023 8.592 -9.609 1.00 0.00 N ATOM 504 CZ ARG A 33 14.144 7.951 -9.438 1.00 0.00 C ATOM 505 NH1 ARG A 33 14.601 7.739 -8.229 1.00 0.00 N ATOM 506 NH2 ARG A 33 14.803 7.529 -10.479 1.00 0.00 N ATOM 0 H ARG A 33 9.722 10.870 -10.930 1.00 0.00 H new ATOM 0 HA ARG A 33 10.525 12.800 -8.977 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.219 10.884 -10.671 1.00 0.00 H new ATOM 0 HB3 ARG A 33 12.749 11.662 -9.193 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.723 10.565 -8.024 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.484 9.631 -9.487 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.016 9.648 -7.768 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.847 8.345 -7.859 1.00 0.00 H new ATOM 0 HE ARG A 33 12.638 8.710 -10.546 1.00 0.00 H new ATOM 0 HH11 ARG A 33 14.079 8.076 -7.420 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.479 7.237 -8.096 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.440 7.702 -11.417 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.682 7.026 -10.357 1.00 0.00 H new ATOM 520 N ASP A 34 10.790 14.135 -11.669 1.00 0.00 N ATOM 521 CA ASP A 34 11.415 15.217 -12.495 1.00 0.00 C ATOM 522 C ASP A 34 11.515 16.492 -11.659 1.00 0.00 C ATOM 523 O ASP A 34 12.259 17.402 -11.973 1.00 0.00 O ATOM 524 CB ASP A 34 10.539 15.467 -13.727 1.00 0.00 C ATOM 525 CG ASP A 34 11.344 16.174 -14.824 1.00 0.00 C ATOM 526 OD1 ASP A 34 12.378 16.742 -14.507 1.00 0.00 O ATOM 527 OD2 ASP A 34 10.911 16.131 -15.965 1.00 0.00 O ATOM 0 H ASP A 34 9.811 13.937 -11.876 1.00 0.00 H new ATOM 0 HA ASP A 34 12.414 14.919 -12.814 1.00 0.00 H new ATOM 0 HB2 ASP A 34 10.153 14.520 -14.104 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.678 16.075 -13.451 1.00 0.00 H new ATOM 532 N ARG A 35 10.788 16.544 -10.583 1.00 0.00 N ATOM 533 CA ARG A 35 10.845 17.728 -9.695 1.00 0.00 C ATOM 534 C ARG A 35 12.017 17.535 -8.710 1.00 0.00 C ATOM 535 O ARG A 35 12.180 16.458 -8.181 1.00 0.00 O ATOM 536 CB ARG A 35 9.524 17.829 -8.923 1.00 0.00 C ATOM 537 CG ARG A 35 8.429 18.461 -9.810 1.00 0.00 C ATOM 538 CD ARG A 35 8.050 17.535 -10.983 1.00 0.00 C ATOM 539 NE ARG A 35 6.644 17.821 -11.411 1.00 0.00 N ATOM 540 CZ ARG A 35 6.193 17.353 -12.553 1.00 0.00 C ATOM 541 NH1 ARG A 35 6.974 16.652 -13.330 1.00 0.00 N ATOM 542 NH2 ARG A 35 4.962 17.594 -12.923 1.00 0.00 N ATOM 0 H ARG A 35 10.151 15.808 -10.279 1.00 0.00 H new ATOM 0 HA ARG A 35 10.994 18.641 -10.272 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.209 16.838 -8.597 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.665 18.430 -8.025 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.545 18.667 -9.207 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.780 19.417 -10.198 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.734 17.689 -11.818 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.145 16.492 -10.682 1.00 0.00 H new ATOM 0 HE ARG A 35 6.035 18.381 -10.814 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.937 16.466 -13.051 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.621 16.290 -14.216 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.349 18.147 -12.324 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.615 17.229 -13.810 1.00 0.00 H new ATOM 556 N PRO A 36 12.836 18.542 -8.455 1.00 0.00 N ATOM 557 CA PRO A 36 13.987 18.408 -7.500 1.00 0.00 C ATOM 558 C PRO A 36 13.585 17.799 -6.140 1.00 0.00 C ATOM 559 O PRO A 36 12.588 17.117 -6.010 1.00 0.00 O ATOM 560 CB PRO A 36 14.468 19.858 -7.315 1.00 0.00 C ATOM 561 CG PRO A 36 14.092 20.552 -8.581 1.00 0.00 C ATOM 562 CD PRO A 36 12.783 19.906 -9.040 1.00 0.00 C ATOM 0 HA PRO A 36 14.747 17.730 -7.889 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.993 20.325 -6.452 1.00 0.00 H new ATOM 0 HB3 PRO A 36 15.544 19.899 -7.147 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.963 21.622 -8.417 1.00 0.00 H new ATOM 0 HG3 PRO A 36 14.870 20.437 -9.336 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.916 20.461 -8.682 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.713 19.872 -10.127 1.00 0.00 H new ATOM 570 N HIS A 37 14.363 18.057 -5.125 1.00 0.00 N ATOM 571 CA HIS A 37 14.055 17.516 -3.775 1.00 0.00 C ATOM 572 C HIS A 37 12.645 17.945 -3.360 1.00 0.00 C ATOM 573 O HIS A 37 11.976 17.250 -2.629 1.00 0.00 O ATOM 574 CB HIS A 37 15.072 18.080 -2.773 1.00 0.00 C ATOM 575 CG HIS A 37 16.447 17.552 -3.100 1.00 0.00 C ATOM 576 ND1 HIS A 37 17.325 18.247 -3.918 1.00 0.00 N ATOM 577 CD2 HIS A 37 17.100 16.397 -2.747 1.00 0.00 C ATOM 578 CE1 HIS A 37 18.443 17.508 -4.033 1.00 0.00 C ATOM 579 NE2 HIS A 37 18.361 16.372 -3.337 1.00 0.00 N ATOM 0 H HIS A 37 15.208 18.626 -5.176 1.00 0.00 H new ATOM 0 HA HIS A 37 14.110 16.428 -3.792 1.00 0.00 H new ATOM 0 HB2 HIS A 37 15.071 19.169 -2.811 1.00 0.00 H new ATOM 0 HB3 HIS A 37 14.794 17.797 -1.758 1.00 0.00 H new ATOM 0 HD2 HIS A 37 16.697 15.625 -2.109 1.00 0.00 H new ATOM 0 HE1 HIS A 37 19.303 17.799 -4.618 1.00 0.00 H new ATOM 0 HE2 HIS A 37 19.069 15.643 -3.255 1.00 0.00 H new ATOM 587 N GLU A 38 12.177 19.081 -3.811 1.00 0.00 N ATOM 588 CA GLU A 38 10.808 19.514 -3.402 1.00 0.00 C ATOM 589 C GLU A 38 9.808 18.402 -3.717 1.00 0.00 C ATOM 590 O GLU A 38 8.676 18.437 -3.282 1.00 0.00 O ATOM 591 CB GLU A 38 10.401 20.809 -4.125 1.00 0.00 C ATOM 592 CG GLU A 38 10.149 20.541 -5.613 1.00 0.00 C ATOM 593 CD GLU A 38 10.146 21.867 -6.384 1.00 0.00 C ATOM 594 OE1 GLU A 38 10.335 22.898 -5.758 1.00 0.00 O ATOM 595 OE2 GLU A 38 9.960 21.830 -7.588 1.00 0.00 O ATOM 0 H GLU A 38 12.674 19.718 -4.434 1.00 0.00 H new ATOM 0 HA GLU A 38 10.810 19.712 -2.330 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.502 21.220 -3.667 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.186 21.557 -4.013 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.920 19.881 -6.009 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.195 20.031 -5.744 1.00 0.00 H new ATOM 602 N GLU A 39 10.205 17.415 -4.471 1.00 0.00 N ATOM 603 CA GLU A 39 9.261 16.318 -4.808 1.00 0.00 C ATOM 604 C GLU A 39 8.998 15.450 -3.572 1.00 0.00 C ATOM 605 O GLU A 39 7.954 14.847 -3.438 1.00 0.00 O ATOM 606 CB GLU A 39 9.903 15.449 -5.892 1.00 0.00 C ATOM 607 CG GLU A 39 11.063 14.637 -5.285 1.00 0.00 C ATOM 608 CD GLU A 39 12.031 14.204 -6.383 1.00 0.00 C ATOM 609 OE1 GLU A 39 11.648 14.265 -7.537 1.00 0.00 O ATOM 610 OE2 GLU A 39 13.141 13.823 -6.048 1.00 0.00 O ATOM 0 H GLU A 39 11.141 17.322 -4.867 1.00 0.00 H new ATOM 0 HA GLU A 39 8.318 16.741 -5.155 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.160 14.776 -6.320 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.271 16.076 -6.704 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.588 15.238 -4.542 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.672 13.761 -4.768 1.00 0.00 H new ATOM 617 N ARG A 40 9.939 15.363 -2.681 1.00 0.00 N ATOM 618 CA ARG A 40 9.724 14.507 -1.489 1.00 0.00 C ATOM 619 C ARG A 40 8.522 15.029 -0.698 1.00 0.00 C ATOM 620 O ARG A 40 7.620 14.284 -0.363 1.00 0.00 O ATOM 621 CB ARG A 40 10.998 14.527 -0.633 1.00 0.00 C ATOM 622 CG ARG A 40 11.164 15.895 0.045 1.00 0.00 C ATOM 623 CD ARG A 40 12.592 16.029 0.589 1.00 0.00 C ATOM 624 NE ARG A 40 12.696 17.234 1.483 1.00 0.00 N ATOM 625 CZ ARG A 40 12.383 18.430 1.068 1.00 0.00 C ATOM 626 NH1 ARG A 40 12.180 18.665 -0.198 1.00 0.00 N ATOM 627 NH2 ARG A 40 12.341 19.412 1.926 1.00 0.00 N ATOM 0 H ARG A 40 10.839 15.842 -2.725 1.00 0.00 H new ATOM 0 HA ARG A 40 9.515 13.480 -1.788 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.949 13.743 0.122 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.866 14.315 -1.257 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.959 16.693 -0.669 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.444 16.000 0.856 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.863 15.131 1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 40 13.297 16.118 -0.238 1.00 0.00 H new ATOM 0 HE ARG A 40 13.021 17.112 2.442 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.265 17.909 -0.877 1.00 0.00 H new ATOM 0 HH12 ARG A 40 11.936 19.605 -0.509 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.552 19.240 2.909 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.098 20.352 1.614 1.00 0.00 H new ATOM 641 N GLN A 41 8.485 16.302 -0.418 1.00 0.00 N ATOM 642 CA GLN A 41 7.333 16.856 0.340 1.00 0.00 C ATOM 643 C GLN A 41 6.115 17.018 -0.577 1.00 0.00 C ATOM 644 O GLN A 41 5.005 16.703 -0.200 1.00 0.00 O ATOM 645 CB GLN A 41 7.747 18.204 0.941 1.00 0.00 C ATOM 646 CG GLN A 41 8.080 19.207 -0.170 1.00 0.00 C ATOM 647 CD GLN A 41 8.959 20.329 0.396 1.00 0.00 C ATOM 648 OE1 GLN A 41 9.852 20.076 1.181 1.00 0.00 O ATOM 649 NE2 GLN A 41 8.756 21.563 0.023 1.00 0.00 N ATOM 0 H GLN A 41 9.201 16.979 -0.681 1.00 0.00 H new ATOM 0 HA GLN A 41 7.053 16.171 1.141 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.941 18.595 1.562 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.613 18.069 1.589 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.597 18.703 -0.986 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.162 19.624 -0.584 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.008 21.780 -0.635 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.345 22.310 0.390 1.00 0.00 H new ATOM 658 N THR A 42 6.307 17.492 -1.778 1.00 0.00 N ATOM 659 CA THR A 42 5.140 17.669 -2.692 1.00 0.00 C ATOM 660 C THR A 42 4.463 16.320 -2.935 1.00 0.00 C ATOM 661 O THR A 42 3.254 16.223 -2.998 1.00 0.00 O ATOM 662 CB THR A 42 5.605 18.241 -4.032 1.00 0.00 C ATOM 663 OG1 THR A 42 6.284 19.470 -3.816 1.00 0.00 O ATOM 664 CG2 THR A 42 4.390 18.473 -4.934 1.00 0.00 C ATOM 0 H THR A 42 7.212 17.762 -2.164 1.00 0.00 H new ATOM 0 HA THR A 42 4.434 18.357 -2.228 1.00 0.00 H new ATOM 0 HB THR A 42 6.284 17.537 -4.513 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.243 19.299 -3.706 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.719 18.881 -5.890 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.875 17.527 -5.101 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.710 19.177 -4.454 1.00 0.00 H new ATOM 672 N ARG A 43 5.222 15.276 -3.092 1.00 0.00 N ATOM 673 CA ARG A 43 4.583 13.955 -3.331 1.00 0.00 C ATOM 674 C ARG A 43 3.683 13.582 -2.151 1.00 0.00 C ATOM 675 O ARG A 43 2.577 13.132 -2.328 1.00 0.00 O ATOM 676 CB ARG A 43 5.659 12.883 -3.509 1.00 0.00 C ATOM 677 CG ARG A 43 6.409 13.094 -4.839 1.00 0.00 C ATOM 678 CD ARG A 43 5.663 12.389 -5.985 1.00 0.00 C ATOM 679 NE ARG A 43 6.013 10.925 -5.996 1.00 0.00 N ATOM 680 CZ ARG A 43 7.243 10.516 -6.167 1.00 0.00 C ATOM 681 NH1 ARG A 43 8.176 11.369 -6.478 1.00 0.00 N ATOM 682 NH2 ARG A 43 7.538 9.246 -6.065 1.00 0.00 N ATOM 0 H ARG A 43 6.242 15.277 -3.066 1.00 0.00 H new ATOM 0 HA ARG A 43 3.978 14.017 -4.236 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.362 12.922 -2.677 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.202 11.893 -3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.495 14.160 -5.052 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.423 12.702 -4.760 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.587 12.514 -5.862 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.930 12.843 -6.939 1.00 0.00 H new ATOM 0 HE ARG A 43 5.273 10.235 -5.867 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.948 12.357 -6.588 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.135 11.049 -6.611 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.807 8.568 -5.851 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.500 8.933 -6.200 1.00 0.00 H new ATOM 696 N PHE A 44 4.146 13.745 -0.936 1.00 0.00 N ATOM 697 CA PHE A 44 3.284 13.369 0.223 1.00 0.00 C ATOM 698 C PHE A 44 2.000 14.196 0.243 1.00 0.00 C ATOM 699 O PHE A 44 0.919 13.661 0.367 1.00 0.00 O ATOM 700 CB PHE A 44 4.052 13.582 1.539 1.00 0.00 C ATOM 701 CG PHE A 44 4.998 12.422 1.762 1.00 0.00 C ATOM 702 CD1 PHE A 44 4.493 11.121 1.904 1.00 0.00 C ATOM 703 CD2 PHE A 44 6.377 12.642 1.798 1.00 0.00 C ATOM 704 CE1 PHE A 44 5.372 10.048 2.082 1.00 0.00 C ATOM 705 CE2 PHE A 44 7.253 11.567 1.971 1.00 0.00 C ATOM 706 CZ PHE A 44 6.753 10.271 2.111 1.00 0.00 C ATOM 0 H PHE A 44 5.067 14.115 -0.700 1.00 0.00 H new ATOM 0 HA PHE A 44 3.018 12.317 0.119 1.00 0.00 H new ATOM 0 HB2 PHE A 44 4.609 14.518 1.500 1.00 0.00 H new ATOM 0 HB3 PHE A 44 3.353 13.661 2.372 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.427 10.948 1.876 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.766 13.644 1.692 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.985 9.046 2.197 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.319 11.739 1.996 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.432 9.441 2.242 1.00 0.00 H new ATOM 716 N GLN A 45 2.091 15.490 0.144 1.00 0.00 N ATOM 717 CA GLN A 45 0.843 16.308 0.190 1.00 0.00 C ATOM 718 C GLN A 45 -0.009 16.091 -1.065 1.00 0.00 C ATOM 719 O GLN A 45 -1.161 15.730 -0.981 1.00 0.00 O ATOM 720 CB GLN A 45 1.204 17.787 0.342 1.00 0.00 C ATOM 721 CG GLN A 45 2.261 18.209 -0.704 1.00 0.00 C ATOM 722 CD GLN A 45 3.248 19.209 -0.084 1.00 0.00 C ATOM 723 OE1 GLN A 45 3.171 20.394 -0.340 1.00 0.00 O ATOM 724 NE2 GLN A 45 4.183 18.770 0.723 1.00 0.00 N ATOM 0 H GLN A 45 2.959 16.014 0.035 1.00 0.00 H new ATOM 0 HA GLN A 45 0.252 15.991 1.049 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.308 18.397 0.226 1.00 0.00 H new ATOM 0 HB3 GLN A 45 1.587 17.970 1.346 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.798 17.332 -1.064 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.770 18.658 -1.567 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.246 17.775 0.937 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.847 19.424 1.137 1.00 0.00 H new ATOM 733 N ASN A 46 0.532 16.290 -2.231 1.00 0.00 N ATOM 734 CA ASN A 46 -0.295 16.068 -3.458 1.00 0.00 C ATOM 735 C ASN A 46 -0.800 14.613 -3.482 1.00 0.00 C ATOM 736 O ASN A 46 -1.845 14.318 -4.035 1.00 0.00 O ATOM 737 CB ASN A 46 0.531 16.367 -4.721 1.00 0.00 C ATOM 738 CG ASN A 46 1.619 15.309 -4.855 1.00 0.00 C ATOM 739 OD1 ASN A 46 1.826 14.555 -3.944 1.00 0.00 O ATOM 740 ND2 ASN A 46 2.324 15.212 -5.952 1.00 0.00 N ATOM 0 H ASN A 46 1.493 16.591 -2.393 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.150 16.744 -3.440 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.111 16.363 -5.602 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.976 17.360 -4.655 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.047 14.497 -6.032 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.151 15.851 -6.728 1.00 0.00 H new ATOM 747 N ALA A 47 -0.085 13.689 -2.888 1.00 0.00 N ATOM 748 CA ALA A 47 -0.558 12.272 -2.912 1.00 0.00 C ATOM 749 C ALA A 47 -1.593 12.065 -1.814 1.00 0.00 C ATOM 750 O ALA A 47 -2.521 11.297 -1.957 1.00 0.00 O ATOM 751 CB ALA A 47 0.615 11.319 -2.671 1.00 0.00 C ATOM 0 H ALA A 47 0.793 13.852 -2.395 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.998 12.065 -3.888 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.257 10.290 -2.691 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.363 11.458 -3.451 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.061 11.529 -1.699 1.00 0.00 H new ATOM 757 N CYS A 48 -1.447 12.735 -0.715 1.00 0.00 N ATOM 758 CA CYS A 48 -2.433 12.559 0.371 1.00 0.00 C ATOM 759 C CYS A 48 -3.812 13.032 -0.088 1.00 0.00 C ATOM 760 O CYS A 48 -4.814 12.409 0.203 1.00 0.00 O ATOM 761 CB CYS A 48 -1.989 13.353 1.586 1.00 0.00 C ATOM 762 SG CYS A 48 -2.315 15.118 1.341 1.00 0.00 S ATOM 0 H CYS A 48 -0.692 13.393 -0.523 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.497 11.503 0.632 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.516 12.999 2.472 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.925 13.194 1.763 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.837 15.492 0.191 1.00 0.00 H new ATOM 768 N ARG A 49 -3.885 14.118 -0.814 1.00 0.00 N ATOM 769 CA ARG A 49 -5.222 14.570 -1.280 1.00 0.00 C ATOM 770 C ARG A 49 -5.802 13.451 -2.149 1.00 0.00 C ATOM 771 O ARG A 49 -6.950 13.079 -2.013 1.00 0.00 O ATOM 772 CB ARG A 49 -5.091 15.882 -2.061 1.00 0.00 C ATOM 773 CG ARG A 49 -3.918 15.786 -3.026 1.00 0.00 C ATOM 774 CD ARG A 49 -3.837 17.061 -3.865 1.00 0.00 C ATOM 775 NE ARG A 49 -3.272 18.154 -3.035 1.00 0.00 N ATOM 776 CZ ARG A 49 -2.809 19.230 -3.603 1.00 0.00 C ATOM 777 NH1 ARG A 49 -2.836 19.346 -4.904 1.00 0.00 N ATOM 778 NH2 ARG A 49 -2.318 20.186 -2.868 1.00 0.00 N ATOM 0 H ARG A 49 -3.095 14.697 -1.097 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.889 14.767 -0.440 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.011 16.084 -2.610 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.942 16.714 -1.372 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.990 15.643 -2.473 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.038 14.919 -3.675 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.213 16.894 -4.743 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.828 17.337 -4.226 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.246 18.062 -2.019 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.220 18.593 -5.475 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.473 20.189 -5.348 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.298 20.090 -1.853 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.954 21.031 -3.307 1.00 0.00 H new ATOM 792 N ASP A 50 -4.980 12.847 -2.981 1.00 0.00 N ATOM 793 CA ASP A 50 -5.438 11.680 -3.796 1.00 0.00 C ATOM 794 C ASP A 50 -4.874 10.436 -3.110 1.00 0.00 C ATOM 795 O ASP A 50 -3.795 9.964 -3.402 1.00 0.00 O ATOM 796 CB ASP A 50 -4.957 11.779 -5.256 1.00 0.00 C ATOM 797 CG ASP A 50 -3.451 12.028 -5.326 1.00 0.00 C ATOM 798 OD1 ASP A 50 -2.706 11.099 -5.077 1.00 0.00 O ATOM 799 OD2 ASP A 50 -3.070 13.137 -5.656 1.00 0.00 O ATOM 0 H ASP A 50 -4.007 13.117 -3.128 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.526 11.646 -3.847 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.201 10.858 -5.785 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.486 12.587 -5.762 1.00 0.00 H new ATOM 804 N GLY A 51 -5.606 9.931 -2.169 1.00 0.00 N ATOM 805 CA GLY A 51 -5.155 8.741 -1.391 1.00 0.00 C ATOM 806 C GLY A 51 -5.087 7.518 -2.299 1.00 0.00 C ATOM 807 O GLY A 51 -4.959 6.402 -1.834 1.00 0.00 O ATOM 0 H GLY A 51 -6.518 10.296 -1.895 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.176 8.933 -0.952 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.843 8.554 -0.566 1.00 0.00 H new ATOM 811 N ARG A 52 -5.146 7.708 -3.595 1.00 0.00 N ATOM 812 CA ARG A 52 -5.055 6.537 -4.516 1.00 0.00 C ATOM 813 C ARG A 52 -3.588 6.393 -4.898 1.00 0.00 C ATOM 814 O ARG A 52 -3.151 6.809 -5.952 1.00 0.00 O ATOM 815 CB ARG A 52 -5.891 6.798 -5.775 1.00 0.00 C ATOM 816 CG ARG A 52 -7.311 7.187 -5.365 1.00 0.00 C ATOM 817 CD ARG A 52 -8.185 7.367 -6.610 1.00 0.00 C ATOM 818 NE ARG A 52 -7.561 8.363 -7.532 1.00 0.00 N ATOM 819 CZ ARG A 52 -7.971 8.452 -8.770 1.00 0.00 C ATOM 820 NH1 ARG A 52 -8.930 7.679 -9.193 1.00 0.00 N ATOM 821 NH2 ARG A 52 -7.421 9.313 -9.587 1.00 0.00 N ATOM 0 H ARG A 52 -5.252 8.615 -4.049 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.431 5.632 -4.038 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.440 7.594 -6.367 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.912 5.907 -6.403 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.736 6.418 -4.720 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.291 8.111 -4.788 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.306 6.412 -7.121 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.181 7.702 -6.320 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.816 8.973 -7.196 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.360 7.006 -8.559 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.251 7.747 -10.159 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.669 9.919 -9.259 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.744 9.379 -10.552 1.00 0.00 H new ATOM 835 N SER A 53 -2.825 5.828 -4.009 1.00 0.00 N ATOM 836 CA SER A 53 -1.367 5.670 -4.241 1.00 0.00 C ATOM 837 C SER A 53 -1.064 4.544 -5.218 1.00 0.00 C ATOM 838 O SER A 53 -1.800 3.586 -5.351 1.00 0.00 O ATOM 839 CB SER A 53 -0.685 5.374 -2.909 1.00 0.00 C ATOM 840 OG SER A 53 0.723 5.326 -3.093 1.00 0.00 O ATOM 0 H SER A 53 -3.157 5.463 -3.116 1.00 0.00 H new ATOM 0 HA SER A 53 -0.991 6.597 -4.675 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.940 6.143 -2.180 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.042 4.425 -2.510 1.00 0.00 H new ATOM 0 HG SER A 53 1.047 6.209 -3.366 1.00 0.00 H new ATOM 846 N GLU A 54 0.061 4.638 -5.860 1.00 0.00 N ATOM 847 CA GLU A 54 0.511 3.578 -6.789 1.00 0.00 C ATOM 848 C GLU A 54 1.977 3.354 -6.437 1.00 0.00 C ATOM 849 O GLU A 54 2.757 4.285 -6.397 1.00 0.00 O ATOM 850 CB GLU A 54 0.359 4.056 -8.240 1.00 0.00 C ATOM 851 CG GLU A 54 -1.127 4.314 -8.550 1.00 0.00 C ATOM 852 CD GLU A 54 -1.293 4.790 -9.998 1.00 0.00 C ATOM 853 OE1 GLU A 54 -0.477 5.579 -10.444 1.00 0.00 O ATOM 854 OE2 GLU A 54 -2.242 4.363 -10.638 1.00 0.00 O ATOM 0 H GLU A 54 0.702 5.427 -5.776 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.071 2.661 -6.699 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.936 4.968 -8.395 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.758 3.306 -8.923 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.702 3.402 -8.392 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.524 5.064 -7.866 1.00 0.00 H new ATOM 861 N ILE A 55 2.358 2.150 -6.127 1.00 0.00 N ATOM 862 CA ILE A 55 3.770 1.900 -5.722 1.00 0.00 C ATOM 863 C ILE A 55 4.208 0.518 -6.175 1.00 0.00 C ATOM 864 O ILE A 55 3.397 -0.327 -6.503 1.00 0.00 O ATOM 865 CB ILE A 55 3.876 2.033 -4.197 1.00 0.00 C ATOM 866 CG1 ILE A 55 5.164 1.371 -3.684 1.00 0.00 C ATOM 867 CG2 ILE A 55 2.673 1.373 -3.520 1.00 0.00 C ATOM 868 CD1 ILE A 55 5.458 1.797 -2.235 1.00 0.00 C ATOM 0 H ILE A 55 1.755 1.327 -6.136 1.00 0.00 H new ATOM 0 HA ILE A 55 4.427 2.630 -6.194 1.00 0.00 H new ATOM 0 HB ILE A 55 3.895 3.095 -3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.067 0.287 -3.736 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.001 1.647 -4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.763 1.476 -2.439 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.756 1.857 -3.856 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.642 0.316 -3.783 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.374 1.316 -1.893 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.578 2.879 -2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.630 1.498 -1.593 1.00 0.00 H new ATOM 880 N ALA A 56 5.496 0.292 -6.223 1.00 0.00 N ATOM 881 CA ALA A 56 5.989 -1.040 -6.693 1.00 0.00 C ATOM 882 C ALA A 56 7.244 -1.482 -5.954 1.00 0.00 C ATOM 883 O ALA A 56 7.893 -0.714 -5.266 1.00 0.00 O ATOM 884 CB ALA A 56 6.323 -0.929 -8.176 1.00 0.00 C ATOM 0 H ALA A 56 6.220 0.961 -5.961 1.00 0.00 H new ATOM 0 HA ALA A 56 5.208 -1.776 -6.503 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.685 -1.890 -8.540 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.429 -0.644 -8.730 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.095 -0.173 -8.320 1.00 0.00 H new ATOM 890 N PHE A 57 7.599 -2.733 -6.135 1.00 0.00 N ATOM 891 CA PHE A 57 8.834 -3.275 -5.498 1.00 0.00 C ATOM 892 C PHE A 57 10.006 -3.037 -6.466 1.00 0.00 C ATOM 893 O PHE A 57 9.950 -3.406 -7.619 1.00 0.00 O ATOM 894 CB PHE A 57 8.687 -4.795 -5.245 1.00 0.00 C ATOM 895 CG PHE A 57 7.602 -5.067 -4.218 1.00 0.00 C ATOM 896 CD1 PHE A 57 7.803 -4.707 -2.884 1.00 0.00 C ATOM 897 CD2 PHE A 57 6.405 -5.689 -4.599 1.00 0.00 C ATOM 898 CE1 PHE A 57 6.807 -4.965 -1.927 1.00 0.00 C ATOM 899 CE2 PHE A 57 5.412 -5.945 -3.645 1.00 0.00 C ATOM 900 CZ PHE A 57 5.611 -5.582 -2.312 1.00 0.00 C ATOM 0 H PHE A 57 7.080 -3.403 -6.702 1.00 0.00 H new ATOM 0 HA PHE A 57 9.006 -2.779 -4.543 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.446 -5.302 -6.179 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.635 -5.204 -4.896 1.00 0.00 H new ATOM 0 HD1 PHE A 57 8.725 -4.230 -2.587 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.248 -5.971 -5.630 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.964 -4.687 -0.895 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.491 -6.424 -3.941 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.843 -5.777 -1.578 1.00 0.00 H new ATOM 910 N VAL A 58 11.057 -2.413 -6.019 1.00 0.00 N ATOM 911 CA VAL A 58 12.219 -2.155 -6.926 1.00 0.00 C ATOM 912 C VAL A 58 12.790 -3.471 -7.447 1.00 0.00 C ATOM 913 O VAL A 58 13.215 -3.570 -8.582 1.00 0.00 O ATOM 914 CB VAL A 58 13.303 -1.391 -6.174 1.00 0.00 C ATOM 915 CG1 VAL A 58 14.531 -1.224 -7.074 1.00 0.00 C ATOM 916 CG2 VAL A 58 12.754 -0.018 -5.796 1.00 0.00 C ATOM 0 H VAL A 58 11.167 -2.068 -5.065 1.00 0.00 H new ATOM 0 HA VAL A 58 11.875 -1.560 -7.772 1.00 0.00 H new ATOM 0 HB VAL A 58 13.593 -1.938 -5.277 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.305 -0.678 -6.535 1.00 0.00 H new ATOM 0 HG12 VAL A 58 14.910 -2.206 -7.358 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.253 -0.670 -7.970 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.517 0.543 -5.257 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.476 0.524 -6.700 1.00 0.00 H new ATOM 0 HG23 VAL A 58 11.876 -0.139 -5.161 1.00 0.00 H new ATOM 926 N ALA A 59 12.833 -4.473 -6.618 1.00 0.00 N ATOM 927 CA ALA A 59 13.409 -5.776 -7.053 1.00 0.00 C ATOM 928 C ALA A 59 12.634 -6.325 -8.256 1.00 0.00 C ATOM 929 O ALA A 59 13.217 -6.878 -9.167 1.00 0.00 O ATOM 930 CB ALA A 59 13.308 -6.782 -5.904 1.00 0.00 C ATOM 0 H ALA A 59 12.494 -4.448 -5.656 1.00 0.00 H new ATOM 0 HA ALA A 59 14.451 -5.623 -7.333 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.729 -7.737 -6.219 1.00 0.00 H new ATOM 0 HB2 ALA A 59 13.862 -6.408 -5.043 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.262 -6.919 -5.631 1.00 0.00 H new ATOM 936 N THR A 60 11.324 -6.195 -8.257 1.00 0.00 N ATOM 937 CA THR A 60 10.499 -6.734 -9.396 1.00 0.00 C ATOM 938 C THR A 60 9.635 -5.636 -10.030 1.00 0.00 C ATOM 939 O THR A 60 9.214 -4.701 -9.383 1.00 0.00 O ATOM 940 CB THR A 60 9.600 -7.853 -8.868 1.00 0.00 C ATOM 941 OG1 THR A 60 10.407 -8.848 -8.255 1.00 0.00 O ATOM 942 CG2 THR A 60 8.810 -8.480 -10.021 1.00 0.00 C ATOM 0 H THR A 60 10.789 -5.739 -7.518 1.00 0.00 H new ATOM 0 HA THR A 60 11.172 -7.115 -10.164 1.00 0.00 H new ATOM 0 HB THR A 60 8.901 -7.440 -8.141 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.836 -9.567 -7.913 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.173 -9.276 -9.635 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.192 -7.718 -10.495 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.503 -8.893 -10.754 1.00 0.00 H new ATOM 950 N GLY A 61 9.366 -5.765 -11.304 1.00 0.00 N ATOM 951 CA GLY A 61 8.532 -4.753 -12.023 1.00 0.00 C ATOM 952 C GLY A 61 7.071 -4.870 -11.589 1.00 0.00 C ATOM 953 O GLY A 61 6.192 -4.254 -12.160 1.00 0.00 O ATOM 0 H GLY A 61 9.692 -6.538 -11.884 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.902 -3.750 -11.812 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.612 -4.903 -13.100 1.00 0.00 H new ATOM 957 N THR A 62 6.806 -5.645 -10.577 1.00 0.00 N ATOM 958 CA THR A 62 5.406 -5.786 -10.093 1.00 0.00 C ATOM 959 C THR A 62 4.970 -4.477 -9.431 1.00 0.00 C ATOM 960 O THR A 62 5.721 -3.874 -8.692 1.00 0.00 O ATOM 961 CB THR A 62 5.341 -6.915 -9.053 1.00 0.00 C ATOM 962 OG1 THR A 62 5.572 -8.167 -9.685 1.00 0.00 O ATOM 963 CG2 THR A 62 3.968 -6.936 -8.375 1.00 0.00 C ATOM 0 H THR A 62 7.500 -6.188 -10.063 1.00 0.00 H new ATOM 0 HA THR A 62 4.749 -6.016 -10.932 1.00 0.00 H new ATOM 0 HB THR A 62 6.109 -6.738 -8.300 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.090 -8.871 -9.202 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.937 -7.741 -7.641 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.794 -5.983 -7.876 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.194 -7.099 -9.125 1.00 0.00 H new ATOM 971 N ASN A 63 3.753 -4.045 -9.670 1.00 0.00 N ATOM 972 CA ASN A 63 3.252 -2.784 -9.029 1.00 0.00 C ATOM 973 C ASN A 63 1.818 -3.022 -8.522 1.00 0.00 C ATOM 974 O ASN A 63 1.013 -3.638 -9.193 1.00 0.00 O ATOM 975 CB ASN A 63 3.264 -1.641 -10.056 1.00 0.00 C ATOM 976 CG ASN A 63 2.162 -1.863 -11.090 1.00 0.00 C ATOM 977 OD1 ASN A 63 2.421 -2.327 -12.181 1.00 0.00 O ATOM 978 ND2 ASN A 63 0.930 -1.554 -10.783 1.00 0.00 N ATOM 0 H ASN A 63 3.084 -4.512 -10.282 1.00 0.00 H new ATOM 0 HA ASN A 63 3.896 -2.510 -8.193 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.116 -0.686 -9.552 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.235 -1.594 -10.550 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.183 -1.703 -11.461 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.716 -1.164 -9.865 1.00 0.00 H new ATOM 985 N LEU A 64 1.494 -2.537 -7.339 1.00 0.00 N ATOM 986 CA LEU A 64 0.111 -2.728 -6.771 1.00 0.00 C ATOM 987 C LEU A 64 -0.557 -1.359 -6.559 1.00 0.00 C ATOM 988 O LEU A 64 0.040 -0.439 -6.035 1.00 0.00 O ATOM 989 CB LEU A 64 0.196 -3.455 -5.412 1.00 0.00 C ATOM 990 CG LEU A 64 0.313 -4.979 -5.601 1.00 0.00 C ATOM 991 CD1 LEU A 64 1.731 -5.362 -6.056 1.00 0.00 C ATOM 992 CD2 LEU A 64 0.002 -5.656 -4.265 1.00 0.00 C ATOM 0 H LEU A 64 2.132 -2.014 -6.739 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.476 -3.323 -7.470 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.057 -3.088 -4.854 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.689 -3.227 -4.819 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.390 -5.305 -6.367 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.793 -6.443 -6.184 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.954 -4.871 -7.003 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.453 -5.044 -5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.080 -6.737 -4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.713 -5.318 -3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.009 -5.396 -3.952 1.00 0.00 H new ATOM 1004 N SER A 65 -1.806 -1.234 -6.936 1.00 0.00 N ATOM 1005 CA SER A 65 -2.542 0.058 -6.740 1.00 0.00 C ATOM 1006 C SER A 65 -3.459 -0.092 -5.526 1.00 0.00 C ATOM 1007 O SER A 65 -4.043 -1.134 -5.313 1.00 0.00 O ATOM 1008 CB SER A 65 -3.404 0.352 -7.969 1.00 0.00 C ATOM 1009 OG SER A 65 -2.590 0.351 -9.134 1.00 0.00 O ATOM 0 H SER A 65 -2.352 -1.976 -7.374 1.00 0.00 H new ATOM 0 HA SER A 65 -1.830 0.870 -6.592 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.190 -0.397 -8.062 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.896 1.318 -7.858 1.00 0.00 H new ATOM 0 HG SER A 65 -3.144 0.538 -9.920 1.00 0.00 H new ATOM 1015 N LEU A 66 -3.589 0.924 -4.716 1.00 0.00 N ATOM 1016 CA LEU A 66 -4.473 0.800 -3.511 1.00 0.00 C ATOM 1017 C LEU A 66 -5.055 2.168 -3.109 1.00 0.00 C ATOM 1018 O LEU A 66 -4.592 3.210 -3.546 1.00 0.00 O ATOM 1019 CB LEU A 66 -3.671 0.179 -2.347 1.00 0.00 C ATOM 1020 CG LEU A 66 -2.243 0.808 -2.255 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -2.148 1.762 -1.063 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -1.180 -0.294 -2.096 1.00 0.00 C ATOM 0 H LEU A 66 -3.129 1.827 -4.830 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.312 0.147 -3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.203 0.336 -1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.590 -0.898 -2.490 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.063 1.361 -3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.146 2.189 -1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.878 2.563 -1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.352 1.215 -0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.191 0.161 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.377 -0.861 -1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.218 -0.963 -2.956 1.00 0.00 H new ATOM 1034 N GLN A 67 -6.084 2.173 -2.280 1.00 0.00 N ATOM 1035 CA GLN A 67 -6.713 3.477 -1.863 1.00 0.00 C ATOM 1036 C GLN A 67 -7.072 3.431 -0.372 1.00 0.00 C ATOM 1037 O GLN A 67 -7.953 2.699 0.040 1.00 0.00 O ATOM 1038 CB GLN A 67 -8.015 3.698 -2.651 1.00 0.00 C ATOM 1039 CG GLN A 67 -7.789 3.441 -4.141 1.00 0.00 C ATOM 1040 CD GLN A 67 -9.038 3.864 -4.914 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -9.084 3.777 -6.124 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -10.065 4.326 -4.251 1.00 0.00 N ATOM 0 H GLN A 67 -6.511 1.338 -1.878 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.004 4.281 -2.058 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.792 3.033 -2.275 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.369 4.718 -2.501 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.922 4.000 -4.492 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.579 2.385 -4.313 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.025 4.399 -3.234 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -10.907 4.614 -4.750 1.00 0.00 H new ATOM 1051 N PHE A 68 -6.415 4.229 0.441 1.00 0.00 N ATOM 1052 CA PHE A 68 -6.737 4.245 1.906 1.00 0.00 C ATOM 1053 C PHE A 68 -7.821 5.295 2.197 1.00 0.00 C ATOM 1054 O PHE A 68 -8.977 4.972 2.384 1.00 0.00 O ATOM 1055 CB PHE A 68 -5.461 4.570 2.718 1.00 0.00 C ATOM 1056 CG PHE A 68 -4.538 5.416 1.880 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -3.781 4.808 0.878 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -4.456 6.800 2.088 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -2.932 5.583 0.080 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -3.612 7.575 1.289 1.00 0.00 C ATOM 1061 CZ PHE A 68 -2.848 6.969 0.284 1.00 0.00 C ATOM 0 H PHE A 68 -5.673 4.867 0.154 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.109 3.263 2.198 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.724 5.098 3.635 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.960 3.648 3.014 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.850 3.742 0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.044 7.266 2.865 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.341 5.114 -0.693 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.549 8.642 1.446 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.195 7.568 -0.334 1.00 0.00 H new ATOM 1071 N PHE A 69 -7.448 6.551 2.232 1.00 0.00 N ATOM 1072 CA PHE A 69 -8.431 7.645 2.513 1.00 0.00 C ATOM 1073 C PHE A 69 -8.109 8.857 1.630 1.00 0.00 C ATOM 1074 O PHE A 69 -7.400 9.753 2.042 1.00 0.00 O ATOM 1075 CB PHE A 69 -8.327 8.064 3.986 1.00 0.00 C ATOM 1076 CG PHE A 69 -9.337 9.156 4.285 1.00 0.00 C ATOM 1077 CD1 PHE A 69 -10.710 8.922 4.100 1.00 0.00 C ATOM 1078 CD2 PHE A 69 -8.904 10.409 4.750 1.00 0.00 C ATOM 1079 CE1 PHE A 69 -11.636 9.935 4.377 1.00 0.00 C ATOM 1080 CE2 PHE A 69 -9.831 11.415 5.024 1.00 0.00 C ATOM 1081 CZ PHE A 69 -11.195 11.181 4.837 1.00 0.00 C ATOM 0 H PHE A 69 -6.492 6.869 2.076 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.438 7.286 2.301 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.507 7.204 4.631 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.319 8.420 4.202 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.051 7.961 3.744 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -7.850 10.594 4.896 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.691 9.755 4.236 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.493 12.377 5.381 1.00 0.00 H new ATOM 0 HZ PHE A 69 -11.910 11.962 5.048 1.00 0.00 H new ATOM 1091 N PRO A 70 -8.624 8.888 0.427 1.00 0.00 N ATOM 1092 CA PRO A 70 -8.385 10.008 -0.522 1.00 0.00 C ATOM 1093 C PRO A 70 -9.384 11.150 -0.317 1.00 0.00 C ATOM 1094 O PRO A 70 -10.521 10.927 0.048 1.00 0.00 O ATOM 1095 CB PRO A 70 -8.598 9.338 -1.878 1.00 0.00 C ATOM 1096 CG PRO A 70 -9.675 8.330 -1.627 1.00 0.00 C ATOM 1097 CD PRO A 70 -9.495 7.859 -0.175 1.00 0.00 C ATOM 0 HA PRO A 70 -7.404 10.467 -0.403 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.899 10.061 -2.636 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.684 8.863 -2.235 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.661 8.770 -1.774 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.593 7.493 -2.320 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.451 7.791 0.344 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.037 6.871 -0.129 1.00 0.00 H new ATOM 1105 N ALA A 71 -8.978 12.367 -0.548 1.00 0.00 N ATOM 1106 CA ALA A 71 -9.920 13.499 -0.366 1.00 0.00 C ATOM 1107 C ALA A 71 -11.171 13.238 -1.190 1.00 0.00 C ATOM 1108 O ALA A 71 -12.277 13.466 -0.743 1.00 0.00 O ATOM 1109 CB ALA A 71 -9.251 14.780 -0.847 1.00 0.00 C ATOM 0 H ALA A 71 -8.039 12.623 -0.853 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.190 13.599 0.685 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.935 15.619 -0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.346 14.958 -0.267 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.993 14.682 -1.901 1.00 0.00 H new ATOM 1115 N SER A 72 -11.008 12.734 -2.380 1.00 0.00 N ATOM 1116 CA SER A 72 -12.194 12.436 -3.226 1.00 0.00 C ATOM 1117 C SER A 72 -11.736 11.755 -4.512 1.00 0.00 C ATOM 1118 O SER A 72 -10.567 11.749 -4.842 1.00 0.00 O ATOM 1119 CB SER A 72 -12.939 13.732 -3.560 1.00 0.00 C ATOM 1120 OG SER A 72 -14.266 13.413 -3.942 1.00 0.00 O ATOM 0 H SER A 72 -10.106 12.516 -2.803 1.00 0.00 H new ATOM 0 HA SER A 72 -12.869 11.774 -2.683 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.945 14.397 -2.696 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.432 14.262 -4.366 1.00 0.00 H new ATOM 0 HG SER A 72 -14.752 14.237 -4.156 1.00 0.00 H new ATOM 1126 N TRP A 73 -12.650 11.180 -5.244 1.00 0.00 N ATOM 1127 CA TRP A 73 -12.267 10.502 -6.506 1.00 0.00 C ATOM 1128 C TRP A 73 -12.090 11.559 -7.606 1.00 0.00 C ATOM 1129 O TRP A 73 -11.309 12.479 -7.461 1.00 0.00 O ATOM 1130 CB TRP A 73 -13.368 9.503 -6.894 1.00 0.00 C ATOM 1131 CG TRP A 73 -12.838 8.496 -7.871 1.00 0.00 C ATOM 1132 CD1 TRP A 73 -11.676 8.606 -8.567 1.00 0.00 C ATOM 1133 CD2 TRP A 73 -13.431 7.227 -8.272 1.00 0.00 C ATOM 1134 NE1 TRP A 73 -11.524 7.486 -9.356 1.00 0.00 N ATOM 1135 CE2 TRP A 73 -12.576 6.610 -9.213 1.00 0.00 C ATOM 1136 CE3 TRP A 73 -14.616 6.557 -7.915 1.00 0.00 C ATOM 1137 CZ2 TRP A 73 -12.878 5.377 -9.780 1.00 0.00 C ATOM 1138 CZ3 TRP A 73 -14.925 5.311 -8.486 1.00 0.00 C ATOM 1139 CH2 TRP A 73 -14.056 4.722 -9.416 1.00 0.00 C ATOM 0 H TRP A 73 -13.645 11.152 -5.020 1.00 0.00 H new ATOM 0 HA TRP A 73 -11.329 9.962 -6.378 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -13.738 8.995 -6.003 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -14.213 10.035 -7.332 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.985 9.434 -8.511 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -10.727 7.326 -9.972 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -15.291 7.003 -7.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -12.206 4.929 -10.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -15.837 4.804 -8.207 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -14.298 3.763 -9.850 1.00 0.00 H new ATOM 1150 N GLN A 74 -12.802 11.447 -8.697 1.00 0.00 N ATOM 1151 CA GLN A 74 -12.655 12.461 -9.791 1.00 0.00 C ATOM 1152 C GLN A 74 -13.551 13.669 -9.517 1.00 0.00 C ATOM 1153 O GLN A 74 -13.623 14.583 -10.313 1.00 0.00 O ATOM 1154 CB GLN A 74 -13.064 11.851 -11.128 1.00 0.00 C ATOM 1155 CG GLN A 74 -12.163 10.657 -11.429 1.00 0.00 C ATOM 1156 CD GLN A 74 -12.433 10.156 -12.848 1.00 0.00 C ATOM 1157 OE1 GLN A 74 -11.701 9.332 -13.359 1.00 0.00 O ATOM 1158 NE2 GLN A 74 -13.462 10.612 -13.507 1.00 0.00 N ATOM 0 H GLN A 74 -13.476 10.703 -8.880 1.00 0.00 H new ATOM 0 HA GLN A 74 -11.612 12.775 -9.827 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.107 11.536 -11.094 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -12.981 12.594 -11.921 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.116 10.943 -11.327 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -12.347 9.859 -10.710 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -14.077 11.304 -13.078 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -13.652 10.277 -14.451 1.00 0.00 H new ATOM 1167 N GLY A 75 -14.256 13.661 -8.420 1.00 0.00 N ATOM 1168 CA GLY A 75 -15.178 14.794 -8.104 1.00 0.00 C ATOM 1169 C GLY A 75 -14.429 16.134 -8.076 1.00 0.00 C ATOM 1170 O GLY A 75 -13.213 16.189 -8.039 1.00 0.00 O ATOM 0 H GLY A 75 -14.235 12.916 -7.724 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.974 14.836 -8.848 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -15.653 14.620 -7.138 1.00 0.00 H new ATOM 1174 N GLU A 76 -15.172 17.212 -8.087 1.00 0.00 N ATOM 1175 CA GLU A 76 -14.570 18.578 -8.052 1.00 0.00 C ATOM 1176 C GLU A 76 -14.302 18.969 -6.596 1.00 0.00 C ATOM 1177 O GLU A 76 -14.549 20.083 -6.179 1.00 0.00 O ATOM 1178 CB GLU A 76 -15.550 19.580 -8.686 1.00 0.00 C ATOM 1179 CG GLU A 76 -16.877 19.563 -7.913 1.00 0.00 C ATOM 1180 CD GLU A 76 -17.936 20.373 -8.667 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -18.380 19.913 -9.706 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -18.292 21.437 -8.188 1.00 0.00 O ATOM 0 H GLU A 76 -16.191 17.201 -8.119 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.634 18.587 -8.610 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.122 20.582 -8.671 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.723 19.323 -9.731 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.218 18.536 -7.783 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.731 19.979 -6.916 1.00 0.00 H new ATOM 1189 N GLN A 77 -13.808 18.054 -5.813 1.00 0.00 N ATOM 1190 CA GLN A 77 -13.543 18.359 -4.381 1.00 0.00 C ATOM 1191 C GLN A 77 -12.589 19.535 -4.248 1.00 0.00 C ATOM 1192 O GLN A 77 -12.288 20.238 -5.194 1.00 0.00 O ATOM 1193 CB GLN A 77 -12.941 17.124 -3.689 1.00 0.00 C ATOM 1194 CG GLN A 77 -11.487 16.869 -4.154 1.00 0.00 C ATOM 1195 CD GLN A 77 -11.443 16.581 -5.662 1.00 0.00 C ATOM 1196 OE1 GLN A 77 -11.600 17.475 -6.468 1.00 0.00 O ATOM 1197 NE2 GLN A 77 -11.203 15.367 -6.080 1.00 0.00 N ATOM 0 H GLN A 77 -13.575 17.104 -6.104 1.00 0.00 H new ATOM 0 HA GLN A 77 -14.487 18.622 -3.904 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -12.960 17.265 -2.608 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -13.553 16.249 -3.907 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.869 17.738 -3.926 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.067 16.026 -3.605 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.070 14.613 -5.406 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -11.148 15.173 -7.080 1.00 0.00 H new ATOM 1206 N ARG A 78 -12.135 19.758 -3.052 1.00 0.00 N ATOM 1207 CA ARG A 78 -11.213 20.884 -2.771 1.00 0.00 C ATOM 1208 C ARG A 78 -9.781 20.371 -2.713 1.00 0.00 C ATOM 1209 O ARG A 78 -9.538 19.200 -2.506 1.00 0.00 O ATOM 1210 CB ARG A 78 -11.621 21.512 -1.443 1.00 0.00 C ATOM 1211 CG ARG A 78 -13.057 22.002 -1.588 1.00 0.00 C ATOM 1212 CD ARG A 78 -13.505 22.674 -0.298 1.00 0.00 C ATOM 1213 NE ARG A 78 -14.978 22.940 -0.352 1.00 0.00 N ATOM 1214 CZ ARG A 78 -15.513 23.637 -1.320 1.00 0.00 C ATOM 1215 NH1 ARG A 78 -14.766 24.277 -2.183 1.00 0.00 N ATOM 1216 NH2 ARG A 78 -16.811 23.727 -1.397 1.00 0.00 N ATOM 0 H ARG A 78 -12.371 19.192 -2.237 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.269 21.634 -3.560 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.544 20.784 -0.635 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.958 22.339 -1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.129 22.704 -2.419 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.715 21.165 -1.820 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.272 22.037 0.555 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.962 23.608 -0.156 1.00 0.00 H new ATOM 0 HE ARG A 78 -15.578 22.568 0.384 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.750 24.237 -2.106 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.200 24.816 -2.932 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -17.397 23.257 -0.707 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -17.241 24.268 -2.147 1.00 0.00 H new ATOM 1230 N GLN A 79 -8.830 21.238 -2.907 1.00 0.00 N ATOM 1231 CA GLN A 79 -7.410 20.798 -2.879 1.00 0.00 C ATOM 1232 C GLN A 79 -6.972 20.595 -1.420 1.00 0.00 C ATOM 1233 O GLN A 79 -5.811 20.717 -1.086 1.00 0.00 O ATOM 1234 CB GLN A 79 -6.528 21.855 -3.578 1.00 0.00 C ATOM 1235 CG GLN A 79 -7.158 23.254 -3.440 1.00 0.00 C ATOM 1236 CD GLN A 79 -8.185 23.489 -4.561 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -7.820 23.639 -5.711 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -9.457 23.532 -4.274 1.00 0.00 N ATOM 0 H GLN A 79 -8.974 22.232 -3.084 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.300 19.853 -3.411 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.530 21.853 -3.139 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.413 21.603 -4.632 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.642 23.348 -2.468 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.380 24.017 -3.484 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.767 23.407 -3.310 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.142 23.691 -5.013 1.00 0.00 H new ATOM 1247 N THR A 80 -7.899 20.272 -0.554 1.00 0.00 N ATOM 1248 CA THR A 80 -7.541 20.049 0.873 1.00 0.00 C ATOM 1249 C THR A 80 -6.905 18.651 1.009 1.00 0.00 C ATOM 1250 O THR A 80 -7.406 17.694 0.454 1.00 0.00 O ATOM 1251 CB THR A 80 -8.814 20.113 1.726 1.00 0.00 C ATOM 1252 OG1 THR A 80 -8.479 19.934 3.096 1.00 0.00 O ATOM 1253 CG2 THR A 80 -9.778 19.010 1.286 1.00 0.00 C ATOM 0 H THR A 80 -8.887 20.154 -0.777 1.00 0.00 H new ATOM 0 HA THR A 80 -6.839 20.812 1.209 1.00 0.00 H new ATOM 0 HB THR A 80 -9.290 21.085 1.595 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.293 19.977 3.640 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.683 19.055 1.892 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.037 19.150 0.236 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.302 18.038 1.416 1.00 0.00 H new ATOM 1261 N PRO A 81 -5.811 18.518 1.729 1.00 0.00 N ATOM 1262 CA PRO A 81 -5.132 17.200 1.905 1.00 0.00 C ATOM 1263 C PRO A 81 -5.858 16.296 2.906 1.00 0.00 C ATOM 1264 O PRO A 81 -6.787 16.707 3.574 1.00 0.00 O ATOM 1265 CB PRO A 81 -3.747 17.585 2.437 1.00 0.00 C ATOM 1266 CG PRO A 81 -3.975 18.850 3.194 1.00 0.00 C ATOM 1267 CD PRO A 81 -5.094 19.589 2.450 1.00 0.00 C ATOM 0 HA PRO A 81 -5.106 16.628 0.977 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.338 16.806 3.080 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.036 17.732 1.624 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.262 18.642 4.225 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.067 19.452 3.231 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.753 20.115 3.141 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.692 20.333 1.763 1.00 0.00 H new ATOM 1275 N SER A 82 -5.419 15.071 3.023 1.00 0.00 N ATOM 1276 CA SER A 82 -6.053 14.130 3.987 1.00 0.00 C ATOM 1277 C SER A 82 -5.464 14.351 5.377 1.00 0.00 C ATOM 1278 O SER A 82 -4.295 14.125 5.615 1.00 0.00 O ATOM 1279 CB SER A 82 -5.771 12.685 3.564 1.00 0.00 C ATOM 1280 OG SER A 82 -5.869 11.837 4.703 1.00 0.00 O ATOM 0 H SER A 82 -4.643 14.681 2.488 1.00 0.00 H new ATOM 0 HA SER A 82 -7.128 14.310 4.001 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.482 12.372 2.800 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.777 12.610 3.124 1.00 0.00 H new ATOM 0 HG SER A 82 -5.691 10.911 4.437 1.00 0.00 H new ATOM 1286 N ARG A 83 -6.261 14.773 6.304 1.00 0.00 N ATOM 1287 CA ARG A 83 -5.745 14.973 7.676 1.00 0.00 C ATOM 1288 C ARG A 83 -5.203 13.647 8.198 1.00 0.00 C ATOM 1289 O ARG A 83 -4.249 13.600 8.948 1.00 0.00 O ATOM 1290 CB ARG A 83 -6.883 15.439 8.562 1.00 0.00 C ATOM 1291 CG ARG A 83 -6.338 15.815 9.938 1.00 0.00 C ATOM 1292 CD ARG A 83 -7.493 16.279 10.816 1.00 0.00 C ATOM 1293 NE ARG A 83 -8.023 17.558 10.270 1.00 0.00 N ATOM 1294 CZ ARG A 83 -9.184 17.997 10.662 1.00 0.00 C ATOM 1295 NH1 ARG A 83 -9.894 17.280 11.488 1.00 0.00 N ATOM 1296 NH2 ARG A 83 -9.647 19.136 10.214 1.00 0.00 N ATOM 0 H ARG A 83 -7.249 14.989 6.173 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.950 15.718 7.676 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.382 16.296 8.110 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.629 14.650 8.658 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.839 14.959 10.393 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.594 16.606 9.845 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.278 15.523 10.838 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.155 16.418 11.843 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.478 18.089 9.591 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.538 16.384 11.821 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.805 17.615 11.801 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.097 19.686 9.554 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.558 19.474 10.525 1.00 0.00 H new ATOM 1310 N GLU A 84 -5.813 12.566 7.799 1.00 0.00 N ATOM 1311 CA GLU A 84 -5.341 11.230 8.264 1.00 0.00 C ATOM 1312 C GLU A 84 -3.880 11.031 7.851 1.00 0.00 C ATOM 1313 O GLU A 84 -3.109 10.399 8.541 1.00 0.00 O ATOM 1314 CB GLU A 84 -6.195 10.121 7.628 1.00 0.00 C ATOM 1315 CG GLU A 84 -7.657 10.244 8.072 1.00 0.00 C ATOM 1316 CD GLU A 84 -7.769 9.998 9.579 1.00 0.00 C ATOM 1317 OE1 GLU A 84 -7.516 10.925 10.332 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -8.108 8.887 9.952 1.00 0.00 O ATOM 0 H GLU A 84 -6.617 12.549 7.172 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.431 11.181 9.349 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.133 10.184 6.542 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.804 9.144 7.913 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.038 11.236 7.828 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.272 9.525 7.531 1.00 0.00 H new ATOM 1325 N TYR A 85 -3.504 11.553 6.713 1.00 0.00 N ATOM 1326 CA TYR A 85 -2.101 11.391 6.220 1.00 0.00 C ATOM 1327 C TYR A 85 -1.117 12.076 7.177 1.00 0.00 C ATOM 1328 O TYR A 85 -0.069 11.555 7.475 1.00 0.00 O ATOM 1329 CB TYR A 85 -2.053 11.974 4.782 1.00 0.00 C ATOM 1330 CG TYR A 85 -0.875 12.914 4.528 1.00 0.00 C ATOM 1331 CD1 TYR A 85 0.438 12.443 4.635 1.00 0.00 C ATOM 1332 CD2 TYR A 85 -1.107 14.254 4.147 1.00 0.00 C ATOM 1333 CE1 TYR A 85 1.516 13.302 4.366 1.00 0.00 C ATOM 1334 CE2 TYR A 85 -0.026 15.107 3.880 1.00 0.00 C ATOM 1335 CZ TYR A 85 1.285 14.628 3.989 1.00 0.00 C ATOM 1336 OH TYR A 85 2.352 15.467 3.730 1.00 0.00 O ATOM 0 H TYR A 85 -4.114 12.090 6.097 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.802 10.343 6.189 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -2.007 11.151 4.069 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.981 12.512 4.588 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.623 11.419 4.924 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.119 14.623 4.061 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.529 12.936 4.451 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.205 16.132 3.591 1.00 0.00 H new ATOM 0 HH TYR A 85 2.018 16.354 3.480 1.00 0.00 H new ATOM 1346 N VAL A 86 -1.447 13.219 7.686 1.00 0.00 N ATOM 1347 CA VAL A 86 -0.516 13.898 8.640 1.00 0.00 C ATOM 1348 C VAL A 86 -0.884 13.496 10.060 1.00 0.00 C ATOM 1349 O VAL A 86 -0.509 14.141 11.016 1.00 0.00 O ATOM 1350 CB VAL A 86 -0.615 15.413 8.464 1.00 0.00 C ATOM 1351 CG1 VAL A 86 0.640 16.091 9.029 1.00 0.00 C ATOM 1352 CG2 VAL A 86 -0.715 15.709 6.970 1.00 0.00 C ATOM 0 H VAL A 86 -2.314 13.719 7.490 1.00 0.00 H new ATOM 0 HA VAL A 86 0.512 13.596 8.440 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.489 15.793 8.994 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.560 17.170 8.899 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.732 15.859 10.090 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.520 15.726 8.500 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.787 16.786 6.816 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.172 15.329 6.464 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.602 15.224 6.562 1.00 0.00 H new ATOM 1362 N ASP A 87 -1.592 12.405 10.208 1.00 0.00 N ATOM 1363 CA ASP A 87 -1.953 11.929 11.579 1.00 0.00 C ATOM 1364 C ASP A 87 -0.966 10.830 11.952 1.00 0.00 C ATOM 1365 O ASP A 87 -0.914 10.382 13.079 1.00 0.00 O ATOM 1366 CB ASP A 87 -3.406 11.399 11.623 1.00 0.00 C ATOM 1367 CG ASP A 87 -3.526 9.960 11.079 1.00 0.00 C ATOM 1368 OD1 ASP A 87 -2.538 9.416 10.621 1.00 0.00 O ATOM 1369 OD2 ASP A 87 -4.621 9.431 11.133 1.00 0.00 O ATOM 0 H ASP A 87 -1.935 11.825 9.442 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.898 12.753 12.290 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.769 11.427 12.650 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.048 12.059 11.040 1.00 0.00 H new ATOM 1374 N LEU A 88 -0.161 10.415 10.995 1.00 0.00 N ATOM 1375 CA LEU A 88 0.869 9.360 11.261 1.00 0.00 C ATOM 1376 C LEU A 88 2.225 9.920 10.850 1.00 0.00 C ATOM 1377 O LEU A 88 3.263 9.353 11.130 1.00 0.00 O ATOM 1378 CB LEU A 88 0.506 8.052 10.515 1.00 0.00 C ATOM 1379 CG LEU A 88 1.083 8.007 9.088 1.00 0.00 C ATOM 1380 CD1 LEU A 88 0.585 6.741 8.376 1.00 0.00 C ATOM 1381 CD2 LEU A 88 0.631 9.242 8.290 1.00 0.00 C ATOM 0 H LEU A 88 -0.176 10.766 10.037 1.00 0.00 H new ATOM 0 HA LEU A 88 0.905 9.101 12.319 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.880 7.199 11.081 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.579 7.953 10.468 1.00 0.00 H new ATOM 0 HG LEU A 88 2.171 7.999 9.149 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.993 6.708 7.366 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.912 5.860 8.929 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.504 6.755 8.328 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.046 9.197 7.283 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.457 9.260 8.233 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.983 10.146 8.788 1.00 0.00 H new ATOM 1393 N GLU A 89 2.212 11.071 10.236 1.00 0.00 N ATOM 1394 CA GLU A 89 3.482 11.730 9.851 1.00 0.00 C ATOM 1395 C GLU A 89 4.048 12.334 11.133 1.00 0.00 C ATOM 1396 O GLU A 89 5.239 12.358 11.371 1.00 0.00 O ATOM 1397 CB GLU A 89 3.171 12.840 8.838 1.00 0.00 C ATOM 1398 CG GLU A 89 4.465 13.359 8.214 1.00 0.00 C ATOM 1399 CD GLU A 89 4.135 14.438 7.179 1.00 0.00 C ATOM 1400 OE1 GLU A 89 2.960 14.697 6.974 1.00 0.00 O ATOM 1401 OE2 GLU A 89 5.062 14.980 6.605 1.00 0.00 O ATOM 0 H GLU A 89 1.367 11.584 9.985 1.00 0.00 H new ATOM 0 HA GLU A 89 4.191 11.036 9.399 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.510 12.458 8.060 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.643 13.656 9.332 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.116 13.768 8.987 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.007 12.540 7.741 1.00 0.00 H new ATOM 1408 N ARG A 90 3.161 12.787 11.980 1.00 0.00 N ATOM 1409 CA ARG A 90 3.561 13.376 13.288 1.00 0.00 C ATOM 1410 C ARG A 90 4.208 12.301 14.166 1.00 0.00 C ATOM 1411 O ARG A 90 4.876 12.604 15.134 1.00 0.00 O ATOM 1412 CB ARG A 90 2.327 13.920 14.019 1.00 0.00 C ATOM 1413 CG ARG A 90 1.701 15.074 13.238 1.00 0.00 C ATOM 1414 CD ARG A 90 0.500 15.594 14.026 1.00 0.00 C ATOM 1415 NE ARG A 90 0.962 16.092 15.353 1.00 0.00 N ATOM 1416 CZ ARG A 90 0.167 16.827 16.073 1.00 0.00 C ATOM 1417 NH1 ARG A 90 -1.008 17.135 15.611 1.00 0.00 N ATOM 1418 NH2 ARG A 90 0.533 17.241 17.255 1.00 0.00 N ATOM 0 H ARG A 90 2.155 12.772 11.814 1.00 0.00 H new ATOM 0 HA ARG A 90 4.269 14.184 13.101 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.595 13.123 14.149 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.609 14.260 15.016 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.430 15.870 13.088 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.389 14.738 12.249 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.008 16.395 13.475 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.235 14.800 14.158 1.00 0.00 H new ATOM 0 HE ARG A 90 1.895 15.858 15.694 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -1.298 16.801 14.692 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.640 17.711 16.167 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.450 16.988 17.622 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -0.098 17.817 17.812 1.00 0.00 H new ATOM 1432 N GLU A 91 3.971 11.052 13.871 1.00 0.00 N ATOM 1433 CA GLU A 91 4.532 9.969 14.728 1.00 0.00 C ATOM 1434 C GLU A 91 6.042 9.786 14.489 1.00 0.00 C ATOM 1435 O GLU A 91 6.838 10.649 14.806 1.00 0.00 O ATOM 1436 CB GLU A 91 3.793 8.667 14.401 1.00 0.00 C ATOM 1437 CG GLU A 91 4.133 7.599 15.441 1.00 0.00 C ATOM 1438 CD GLU A 91 3.393 6.305 15.106 1.00 0.00 C ATOM 1439 OE1 GLU A 91 2.631 6.312 14.152 1.00 0.00 O ATOM 1440 OE2 GLU A 91 3.604 5.332 15.807 1.00 0.00 O ATOM 0 H GLU A 91 3.415 10.735 13.077 1.00 0.00 H new ATOM 0 HA GLU A 91 4.396 10.238 15.776 1.00 0.00 H new ATOM 0 HB2 GLU A 91 2.717 8.843 14.386 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.073 8.320 13.406 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.208 7.421 15.457 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.852 7.943 16.436 1.00 0.00 H new ATOM 1447 N ALA A 92 6.441 8.662 13.957 1.00 0.00 N ATOM 1448 CA ALA A 92 7.889 8.395 13.723 1.00 0.00 C ATOM 1449 C ALA A 92 8.475 9.442 12.794 1.00 0.00 C ATOM 1450 O ALA A 92 9.664 9.467 12.546 1.00 0.00 O ATOM 1451 CB ALA A 92 8.045 7.023 13.070 1.00 0.00 C ATOM 0 H ALA A 92 5.816 7.908 13.671 1.00 0.00 H new ATOM 0 HA ALA A 92 8.412 8.427 14.679 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.102 6.821 12.896 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.633 6.258 13.728 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.512 7.010 12.119 1.00 0.00 H new ATOM 1457 N GLY A 93 7.660 10.285 12.242 1.00 0.00 N ATOM 1458 CA GLY A 93 8.192 11.293 11.290 1.00 0.00 C ATOM 1459 C GLY A 93 8.228 10.633 9.916 1.00 0.00 C ATOM 1460 O GLY A 93 8.914 11.066 9.012 1.00 0.00 O ATOM 0 H GLY A 93 6.654 10.323 12.405 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.560 12.181 11.275 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.189 11.617 11.589 1.00 0.00 H new ATOM 1464 N LYS A 94 7.469 9.575 9.767 1.00 0.00 N ATOM 1465 CA LYS A 94 7.410 8.835 8.473 1.00 0.00 C ATOM 1466 C LYS A 94 5.951 8.711 8.075 1.00 0.00 C ATOM 1467 O LYS A 94 5.067 8.819 8.902 1.00 0.00 O ATOM 1468 CB LYS A 94 7.967 7.416 8.644 1.00 0.00 C ATOM 1469 CG LYS A 94 9.320 7.466 9.336 1.00 0.00 C ATOM 1470 CD LYS A 94 9.981 6.086 9.277 1.00 0.00 C ATOM 1471 CE LYS A 94 11.319 6.148 9.998 1.00 0.00 C ATOM 1472 NZ LYS A 94 11.983 4.818 9.920 1.00 0.00 N ATOM 0 H LYS A 94 6.878 9.188 10.503 1.00 0.00 H new ATOM 0 HA LYS A 94 7.994 9.369 7.724 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.273 6.812 9.229 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.065 6.936 7.670 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.958 8.207 8.854 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.197 7.777 10.373 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.337 5.340 9.742 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.125 5.781 8.240 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.953 6.911 9.546 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.171 6.433 11.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.898 4.858 10.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.379 4.101 10.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.137 4.565 8.923 1.00 0.00 H new ATOM 1486 N VAL A 95 5.694 8.465 6.828 1.00 0.00 N ATOM 1487 CA VAL A 95 4.289 8.304 6.362 1.00 0.00 C ATOM 1488 C VAL A 95 4.153 6.900 5.794 1.00 0.00 C ATOM 1489 O VAL A 95 4.897 6.520 4.911 1.00 0.00 O ATOM 1490 CB VAL A 95 4.038 9.325 5.253 1.00 0.00 C ATOM 1491 CG1 VAL A 95 2.585 9.250 4.776 1.00 0.00 C ATOM 1492 CG2 VAL A 95 4.343 10.734 5.773 1.00 0.00 C ATOM 0 H VAL A 95 6.402 8.367 6.100 1.00 0.00 H new ATOM 0 HA VAL A 95 3.577 8.456 7.173 1.00 0.00 H new ATOM 0 HB VAL A 95 4.692 9.099 4.411 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.423 9.984 3.986 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.379 8.251 4.391 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.917 9.462 5.611 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.164 11.461 4.981 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.697 10.956 6.622 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.386 10.789 6.086 1.00 0.00 H new ATOM 1502 N TYR A 96 3.217 6.115 6.267 1.00 0.00 N ATOM 1503 CA TYR A 96 3.068 4.735 5.700 1.00 0.00 C ATOM 1504 C TYR A 96 1.600 4.369 5.566 1.00 0.00 C ATOM 1505 O TYR A 96 0.747 4.919 6.221 1.00 0.00 O ATOM 1506 CB TYR A 96 3.798 3.714 6.579 1.00 0.00 C ATOM 1507 CG TYR A 96 3.179 3.613 7.955 1.00 0.00 C ATOM 1508 CD1 TYR A 96 3.462 4.582 8.928 1.00 0.00 C ATOM 1509 CD2 TYR A 96 2.341 2.532 8.263 1.00 0.00 C ATOM 1510 CE1 TYR A 96 2.898 4.473 10.206 1.00 0.00 C ATOM 1511 CE2 TYR A 96 1.779 2.418 9.534 1.00 0.00 C ATOM 1512 CZ TYR A 96 2.056 3.392 10.511 1.00 0.00 C ATOM 1513 OH TYR A 96 1.500 3.287 11.770 1.00 0.00 O ATOM 0 H TYR A 96 2.560 6.361 7.007 1.00 0.00 H new ATOM 0 HA TYR A 96 3.517 4.720 4.707 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.774 2.737 6.097 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.846 3.998 6.672 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.113 5.411 8.693 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.130 1.784 7.513 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.111 5.220 10.956 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.133 1.585 9.768 1.00 0.00 H new ATOM 0 HH TYR A 96 0.942 2.483 11.815 1.00 0.00 H new ATOM 1523 N LEU A 97 1.301 3.438 4.702 1.00 0.00 N ATOM 1524 CA LEU A 97 -0.118 3.028 4.486 1.00 0.00 C ATOM 1525 C LEU A 97 -0.238 1.508 4.602 1.00 0.00 C ATOM 1526 O LEU A 97 0.671 0.761 4.262 1.00 0.00 O ATOM 1527 CB LEU A 97 -0.588 3.498 3.089 1.00 0.00 C ATOM 1528 CG LEU A 97 0.621 3.610 2.121 1.00 0.00 C ATOM 1529 CD1 LEU A 97 0.175 3.305 0.698 1.00 0.00 C ATOM 1530 CD2 LEU A 97 1.208 5.031 2.159 1.00 0.00 C ATOM 0 H LEU A 97 1.984 2.939 4.131 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.750 3.490 5.245 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.319 2.795 2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.087 4.464 3.172 1.00 0.00 H new ATOM 0 HG LEU A 97 1.380 2.894 2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.028 3.385 0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.229 2.294 0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.593 4.017 0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.055 5.093 1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.445 5.748 1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.542 5.260 3.171 1.00 0.00 H new ATOM 1542 N LYS A 98 -1.373 1.062 5.078 1.00 0.00 N ATOM 1543 CA LYS A 98 -1.629 -0.394 5.242 1.00 0.00 C ATOM 1544 C LYS A 98 -3.078 -0.689 4.838 1.00 0.00 C ATOM 1545 O LYS A 98 -3.992 0.004 5.232 1.00 0.00 O ATOM 1546 CB LYS A 98 -1.377 -0.780 6.704 1.00 0.00 C ATOM 1547 CG LYS A 98 -2.422 -0.143 7.606 1.00 0.00 C ATOM 1548 CD LYS A 98 -1.979 -0.335 9.059 1.00 0.00 C ATOM 1549 CE LYS A 98 -3.105 0.051 10.011 1.00 0.00 C ATOM 1550 NZ LYS A 98 -3.232 1.537 10.049 1.00 0.00 N ATOM 0 H LYS A 98 -2.147 1.662 5.365 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.963 -0.979 4.608 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.407 -1.864 6.811 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.381 -0.457 7.006 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.526 0.918 7.377 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.397 -0.602 7.442 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.693 -1.374 9.225 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.098 0.274 9.261 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.043 -0.397 9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.900 -0.333 11.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.000 1.803 10.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.338 1.953 10.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.446 1.892 9.095 1.00 0.00 H new ATOM 1564 N ALA A 99 -3.300 -1.709 4.037 1.00 0.00 N ATOM 1565 CA ALA A 99 -4.704 -2.017 3.606 1.00 0.00 C ATOM 1566 C ALA A 99 -4.823 -3.496 3.200 1.00 0.00 C ATOM 1567 O ALA A 99 -3.893 -4.055 2.657 1.00 0.00 O ATOM 1568 CB ALA A 99 -5.067 -1.140 2.396 1.00 0.00 C ATOM 0 H ALA A 99 -2.582 -2.332 3.668 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.381 -1.815 4.436 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.086 -1.361 2.080 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.993 -0.089 2.673 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.380 -1.348 1.576 1.00 0.00 H new ATOM 1574 N PRO A 100 -5.964 -4.124 3.409 1.00 0.00 N ATOM 1575 CA PRO A 100 -6.176 -5.541 2.997 1.00 0.00 C ATOM 1576 C PRO A 100 -6.662 -5.620 1.544 1.00 0.00 C ATOM 1577 O PRO A 100 -7.820 -5.390 1.254 1.00 0.00 O ATOM 1578 CB PRO A 100 -7.262 -6.004 3.958 1.00 0.00 C ATOM 1579 CG PRO A 100 -8.128 -4.797 4.117 1.00 0.00 C ATOM 1580 CD PRO A 100 -7.179 -3.586 4.065 1.00 0.00 C ATOM 0 HA PRO A 100 -5.271 -6.147 3.037 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -7.821 -6.848 3.555 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -6.843 -6.325 4.912 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.873 -4.744 3.323 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.671 -4.828 5.062 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.611 -2.762 3.496 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.961 -3.204 5.062 1.00 0.00 H new ATOM 1588 N MET A 101 -5.779 -5.915 0.626 1.00 0.00 N ATOM 1589 CA MET A 101 -6.177 -5.979 -0.824 1.00 0.00 C ATOM 1590 C MET A 101 -6.375 -7.426 -1.275 1.00 0.00 C ATOM 1591 O MET A 101 -5.560 -8.283 -1.009 1.00 0.00 O ATOM 1592 CB MET A 101 -5.081 -5.330 -1.677 1.00 0.00 C ATOM 1593 CG MET A 101 -5.504 -5.308 -3.159 1.00 0.00 C ATOM 1594 SD MET A 101 -6.868 -4.133 -3.402 1.00 0.00 S ATOM 1595 CE MET A 101 -5.945 -2.587 -3.205 1.00 0.00 C ATOM 0 H MET A 101 -4.796 -6.116 0.812 1.00 0.00 H new ATOM 0 HA MET A 101 -7.120 -5.446 -0.948 1.00 0.00 H new ATOM 0 HB2 MET A 101 -4.893 -4.314 -1.330 1.00 0.00 H new ATOM 0 HB3 MET A 101 -4.148 -5.883 -1.566 1.00 0.00 H new ATOM 0 HG2 MET A 101 -4.656 -5.027 -3.783 1.00 0.00 H new ATOM 0 HG3 MET A 101 -5.813 -6.305 -3.472 1.00 0.00 H new ATOM 0 HE1 MET A 101 -6.126 -1.943 -4.066 1.00 0.00 H new ATOM 0 HE2 MET A 101 -6.273 -2.080 -2.298 1.00 0.00 H new ATOM 0 HE3 MET A 101 -4.880 -2.806 -3.133 1.00 0.00 H new ATOM 1605 N ILE A 102 -7.448 -7.693 -1.995 1.00 0.00 N ATOM 1606 CA ILE A 102 -7.694 -9.077 -2.511 1.00 0.00 C ATOM 1607 C ILE A 102 -7.167 -9.221 -3.943 1.00 0.00 C ATOM 1608 O ILE A 102 -7.409 -8.406 -4.811 1.00 0.00 O ATOM 1609 CB ILE A 102 -9.199 -9.471 -2.443 1.00 0.00 C ATOM 1610 CG1 ILE A 102 -10.121 -8.264 -2.737 1.00 0.00 C ATOM 1611 CG2 ILE A 102 -9.528 -10.056 -1.054 1.00 0.00 C ATOM 1612 CD1 ILE A 102 -11.579 -8.629 -2.394 1.00 0.00 C ATOM 0 H ILE A 102 -8.161 -7.008 -2.245 1.00 0.00 H new ATOM 0 HA ILE A 102 -7.149 -9.763 -1.862 1.00 0.00 H new ATOM 0 HB ILE A 102 -9.380 -10.224 -3.210 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -9.804 -7.401 -2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -10.044 -7.982 -3.787 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.583 -10.329 -1.015 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -8.917 -10.941 -0.878 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.317 -9.311 -0.286 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -12.226 -7.777 -2.602 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -11.893 -9.479 -2.999 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -11.650 -8.889 -1.338 1.00 0.00 H new ATOM 1624 N LEU A 103 -6.457 -10.293 -4.173 1.00 0.00 N ATOM 1625 CA LEU A 103 -5.894 -10.598 -5.519 1.00 0.00 C ATOM 1626 C LEU A 103 -6.586 -11.864 -6.011 1.00 0.00 C ATOM 1627 O LEU A 103 -7.425 -12.406 -5.322 1.00 0.00 O ATOM 1628 CB LEU A 103 -4.389 -10.857 -5.396 1.00 0.00 C ATOM 1629 CG LEU A 103 -3.730 -9.704 -4.630 1.00 0.00 C ATOM 1630 CD1 LEU A 103 -2.220 -9.942 -4.528 1.00 0.00 C ATOM 1631 CD2 LEU A 103 -3.992 -8.377 -5.357 1.00 0.00 C ATOM 0 H LEU A 103 -6.238 -10.990 -3.461 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.051 -9.768 -6.208 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.213 -11.799 -4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -3.944 -10.951 -6.386 1.00 0.00 H new ATOM 0 HG LEU A 103 -4.156 -9.656 -3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.758 -9.119 -3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.034 -10.877 -4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.792 -9.999 -5.529 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.521 -7.562 -4.807 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.575 -8.425 -6.363 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -5.066 -8.201 -5.417 1.00 0.00 H new ATOM 1643 N ASN A 104 -6.265 -12.337 -7.185 1.00 0.00 N ATOM 1644 CA ASN A 104 -6.930 -13.578 -7.686 1.00 0.00 C ATOM 1645 C ASN A 104 -6.600 -14.734 -6.730 1.00 0.00 C ATOM 1646 O ASN A 104 -5.859 -15.640 -7.057 1.00 0.00 O ATOM 1647 CB ASN A 104 -6.390 -13.900 -9.083 1.00 0.00 C ATOM 1648 CG ASN A 104 -7.230 -15.004 -9.728 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -8.418 -14.844 -9.934 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -6.653 -16.125 -10.069 1.00 0.00 N ATOM 0 H ASN A 104 -5.578 -11.924 -7.815 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.010 -13.437 -7.735 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.411 -13.005 -9.705 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.349 -14.216 -9.015 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.199 -16.866 -10.508 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -5.657 -16.259 -9.896 1.00 0.00 H new ATOM 1657 N GLY A 105 -7.148 -14.683 -5.546 1.00 0.00 N ATOM 1658 CA GLY A 105 -6.896 -15.742 -4.527 1.00 0.00 C ATOM 1659 C GLY A 105 -7.656 -15.381 -3.252 1.00 0.00 C ATOM 1660 O GLY A 105 -8.815 -15.702 -3.078 1.00 0.00 O ATOM 0 H GLY A 105 -7.772 -13.938 -5.237 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.223 -16.712 -4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.829 -15.823 -4.321 1.00 0.00 H new ATOM 1664 N VAL A 106 -6.996 -14.682 -2.368 1.00 0.00 N ATOM 1665 CA VAL A 106 -7.643 -14.248 -1.096 1.00 0.00 C ATOM 1666 C VAL A 106 -6.999 -12.930 -0.658 1.00 0.00 C ATOM 1667 O VAL A 106 -6.172 -12.376 -1.353 1.00 0.00 O ATOM 1668 CB VAL A 106 -7.488 -15.313 0.023 1.00 0.00 C ATOM 1669 CG1 VAL A 106 -8.781 -15.390 0.833 1.00 0.00 C ATOM 1670 CG2 VAL A 106 -7.231 -16.698 -0.567 1.00 0.00 C ATOM 0 H VAL A 106 -6.025 -14.390 -2.475 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.711 -14.118 -1.269 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.645 -15.019 0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.674 -16.137 1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.988 -14.418 1.282 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.605 -15.669 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.127 -17.423 0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.068 -16.983 -1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.315 -16.678 -1.157 1.00 0.00 H new ATOM 1680 N CYS A 107 -7.381 -12.410 0.476 1.00 0.00 N ATOM 1681 CA CYS A 107 -6.786 -11.121 0.917 1.00 0.00 C ATOM 1682 C CYS A 107 -5.364 -11.316 1.412 1.00 0.00 C ATOM 1683 O CYS A 107 -5.020 -12.292 2.049 1.00 0.00 O ATOM 1684 CB CYS A 107 -7.619 -10.489 2.029 1.00 0.00 C ATOM 1685 SG CYS A 107 -7.993 -11.722 3.277 1.00 0.00 S ATOM 0 H CYS A 107 -8.071 -12.817 1.108 1.00 0.00 H new ATOM 0 HA CYS A 107 -6.775 -10.458 0.052 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -7.075 -9.657 2.477 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.543 -10.081 1.618 1.00 0.00 H new ATOM 0 HG CYS A 107 -9.271 -11.722 3.518 1.00 0.00 H new ATOM 1691 N VAL A 108 -4.557 -10.340 1.134 1.00 0.00 N ATOM 1692 CA VAL A 108 -3.135 -10.332 1.569 1.00 0.00 C ATOM 1693 C VAL A 108 -2.935 -8.977 2.253 1.00 0.00 C ATOM 1694 O VAL A 108 -3.651 -8.038 1.958 1.00 0.00 O ATOM 1695 CB VAL A 108 -2.236 -10.487 0.331 1.00 0.00 C ATOM 1696 CG1 VAL A 108 -2.388 -9.270 -0.580 1.00 0.00 C ATOM 1697 CG2 VAL A 108 -0.763 -10.644 0.744 1.00 0.00 C ATOM 0 H VAL A 108 -4.833 -9.514 0.603 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.883 -11.146 2.249 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.545 -11.383 -0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.748 -9.388 -1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.426 -9.182 -0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.098 -8.370 -0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.145 -10.752 -0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.445 -9.763 1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.653 -11.529 1.371 1.00 0.00 H new ATOM 1707 N ILE A 109 -2.031 -8.860 3.191 1.00 0.00 N ATOM 1708 CA ILE A 109 -1.874 -7.552 3.909 1.00 0.00 C ATOM 1709 C ILE A 109 -0.692 -6.754 3.341 1.00 0.00 C ATOM 1710 O ILE A 109 0.452 -7.140 3.444 1.00 0.00 O ATOM 1711 CB ILE A 109 -1.651 -7.850 5.405 1.00 0.00 C ATOM 1712 CG1 ILE A 109 -1.952 -6.603 6.242 1.00 0.00 C ATOM 1713 CG2 ILE A 109 -0.200 -8.297 5.664 1.00 0.00 C ATOM 1714 CD1 ILE A 109 -1.904 -6.977 7.725 1.00 0.00 C ATOM 0 H ILE A 109 -1.399 -9.602 3.491 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.771 -6.948 3.774 1.00 0.00 H new ATOM 0 HB ILE A 109 -2.326 -8.656 5.692 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.224 -5.820 6.027 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -2.934 -6.205 5.985 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.066 -8.502 6.726 1.00 0.00 H new ATOM 0 HG22 ILE A 109 0.010 -9.200 5.091 1.00 0.00 H new ATOM 0 HG23 ILE A 109 0.485 -7.506 5.358 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -2.117 -6.095 8.330 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -2.648 -7.746 7.930 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.912 -7.356 7.973 1.00 0.00 H new ATOM 1726 N TRP A 110 -0.972 -5.625 2.754 1.00 0.00 N ATOM 1727 CA TRP A 110 0.112 -4.772 2.191 1.00 0.00 C ATOM 1728 C TRP A 110 0.343 -3.602 3.138 1.00 0.00 C ATOM 1729 O TRP A 110 -0.563 -2.847 3.417 1.00 0.00 O ATOM 1730 CB TRP A 110 -0.335 -4.247 0.826 1.00 0.00 C ATOM 1731 CG TRP A 110 0.826 -3.648 0.102 1.00 0.00 C ATOM 1732 CD1 TRP A 110 1.510 -4.258 -0.892 1.00 0.00 C ATOM 1733 CD2 TRP A 110 1.450 -2.344 0.288 1.00 0.00 C ATOM 1734 NE1 TRP A 110 2.510 -3.412 -1.335 1.00 0.00 N ATOM 1735 CE2 TRP A 110 2.515 -2.222 -0.636 1.00 0.00 C ATOM 1736 CE3 TRP A 110 1.202 -1.265 1.155 1.00 0.00 C ATOM 1737 CZ2 TRP A 110 3.302 -1.075 -0.696 1.00 0.00 C ATOM 1738 CZ3 TRP A 110 1.995 -0.107 1.096 1.00 0.00 C ATOM 1739 CH2 TRP A 110 3.042 -0.013 0.174 1.00 0.00 C ATOM 0 H TRP A 110 -1.915 -5.253 2.639 1.00 0.00 H new ATOM 0 HA TRP A 110 1.033 -5.344 2.077 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.761 -5.059 0.237 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -1.119 -3.500 0.954 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.308 -5.246 -1.278 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.163 -3.639 -2.085 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.396 -1.327 1.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.109 -1.007 -1.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.795 0.715 1.767 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.649 0.879 0.134 1.00 0.00 H new ATOM 1750 N LYS A 111 1.542 -3.427 3.632 1.00 0.00 N ATOM 1751 CA LYS A 111 1.801 -2.280 4.552 1.00 0.00 C ATOM 1752 C LYS A 111 3.226 -1.791 4.414 1.00 0.00 C ATOM 1753 O LYS A 111 4.062 -1.969 5.278 1.00 0.00 O ATOM 1754 CB LYS A 111 1.497 -2.666 5.992 1.00 0.00 C ATOM 1755 CG LYS A 111 2.153 -3.991 6.351 1.00 0.00 C ATOM 1756 CD LYS A 111 1.760 -4.346 7.784 1.00 0.00 C ATOM 1757 CE LYS A 111 2.513 -5.600 8.218 1.00 0.00 C ATOM 1758 NZ LYS A 111 2.301 -6.665 7.201 1.00 0.00 N ATOM 0 H LYS A 111 2.347 -4.024 3.440 1.00 0.00 H new ATOM 0 HA LYS A 111 1.136 -1.463 4.272 1.00 0.00 H new ATOM 0 HB2 LYS A 111 1.853 -1.886 6.664 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.419 -2.740 6.133 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.831 -4.773 5.664 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.237 -3.915 6.262 1.00 0.00 H new ATOM 0 HD2 LYS A 111 1.994 -3.518 8.453 1.00 0.00 H new ATOM 0 HD3 LYS A 111 0.685 -4.513 7.847 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.576 -5.384 8.322 1.00 0.00 H new ATOM 0 HE3 LYS A 111 2.159 -5.934 9.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 2.473 -7.596 7.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 1.323 -6.621 6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.959 -6.524 6.408 1.00 0.00 H new ATOM 1772 N GLY A 112 3.480 -1.141 3.324 1.00 0.00 N ATOM 1773 CA GLY A 112 4.825 -0.573 3.067 1.00 0.00 C ATOM 1774 C GLY A 112 4.984 0.732 3.842 1.00 0.00 C ATOM 1775 O GLY A 112 4.007 1.350 4.225 1.00 0.00 O ATOM 0 H GLY A 112 2.799 -0.975 2.583 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.595 -1.283 3.368 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.957 -0.393 2.000 1.00 0.00 H new ATOM 1779 N TRP A 113 6.198 1.182 4.045 1.00 0.00 N ATOM 1780 CA TRP A 113 6.401 2.479 4.762 1.00 0.00 C ATOM 1781 C TRP A 113 7.546 3.248 4.112 1.00 0.00 C ATOM 1782 O TRP A 113 8.366 2.693 3.413 1.00 0.00 O ATOM 1783 CB TRP A 113 6.684 2.251 6.263 1.00 0.00 C ATOM 1784 CG TRP A 113 7.750 1.223 6.483 1.00 0.00 C ATOM 1785 CD1 TRP A 113 7.506 -0.081 6.753 1.00 0.00 C ATOM 1786 CD2 TRP A 113 9.205 1.380 6.503 1.00 0.00 C ATOM 1787 NE1 TRP A 113 8.713 -0.738 6.914 1.00 0.00 N ATOM 1788 CE2 TRP A 113 9.786 0.115 6.768 1.00 0.00 C ATOM 1789 CE3 TRP A 113 10.068 2.475 6.308 1.00 0.00 C ATOM 1790 CZ2 TRP A 113 11.168 -0.057 6.841 1.00 0.00 C ATOM 1791 CZ3 TRP A 113 11.463 2.304 6.383 1.00 0.00 C ATOM 1792 CH2 TRP A 113 12.011 1.040 6.648 1.00 0.00 C ATOM 0 H TRP A 113 7.052 0.711 3.747 1.00 0.00 H new ATOM 0 HA TRP A 113 5.485 3.065 4.686 1.00 0.00 H new ATOM 0 HB2 TRP A 113 6.988 3.192 6.722 1.00 0.00 H new ATOM 0 HB3 TRP A 113 5.767 1.935 6.761 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.529 -0.534 6.830 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.799 -1.734 7.116 1.00 0.00 H new ATOM 0 HE3 TRP A 113 9.657 3.452 6.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 11.584 -1.032 7.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 12.116 3.152 6.236 1.00 0.00 H new ATOM 0 HH2 TRP A 113 13.082 0.915 6.703 1.00 0.00 H new ATOM 1803 N ILE A 114 7.594 4.531 4.336 1.00 0.00 N ATOM 1804 CA ILE A 114 8.670 5.367 3.735 1.00 0.00 C ATOM 1805 C ILE A 114 8.847 6.609 4.607 1.00 0.00 C ATOM 1806 O ILE A 114 7.910 7.089 5.216 1.00 0.00 O ATOM 1807 CB ILE A 114 8.276 5.769 2.304 1.00 0.00 C ATOM 1808 CG1 ILE A 114 6.847 6.323 2.327 1.00 0.00 C ATOM 1809 CG2 ILE A 114 8.365 4.558 1.365 1.00 0.00 C ATOM 1810 CD1 ILE A 114 6.365 6.625 0.912 1.00 0.00 C ATOM 0 H ILE A 114 6.927 5.041 4.915 1.00 0.00 H new ATOM 0 HA ILE A 114 9.606 4.811 3.688 1.00 0.00 H new ATOM 0 HB ILE A 114 8.961 6.532 1.934 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.179 5.602 2.798 1.00 0.00 H new ATOM 0 HG13 ILE A 114 6.813 7.230 2.930 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.083 4.859 0.356 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.386 4.177 1.358 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.689 3.777 1.713 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.349 7.017 0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.022 7.364 0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.379 5.710 0.320 1.00 0.00 H new ATOM 1822 N ASP A 115 10.046 7.112 4.702 1.00 0.00 N ATOM 1823 CA ASP A 115 10.299 8.298 5.565 1.00 0.00 C ATOM 1824 C ASP A 115 9.837 9.583 4.866 1.00 0.00 C ATOM 1825 O ASP A 115 9.562 9.601 3.684 1.00 0.00 O ATOM 1826 CB ASP A 115 11.795 8.374 5.866 1.00 0.00 C ATOM 1827 CG ASP A 115 12.030 9.271 7.079 1.00 0.00 C ATOM 1828 OD1 ASP A 115 11.062 9.806 7.591 1.00 0.00 O ATOM 1829 OD2 ASP A 115 13.175 9.411 7.474 1.00 0.00 O ATOM 0 H ASP A 115 10.866 6.750 4.216 1.00 0.00 H new ATOM 0 HA ASP A 115 9.737 8.198 6.493 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.188 7.376 6.058 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.330 8.767 5.002 1.00 0.00 H new ATOM 1834 N LEU A 116 9.735 10.657 5.605 1.00 0.00 N ATOM 1835 CA LEU A 116 9.271 11.945 5.013 1.00 0.00 C ATOM 1836 C LEU A 116 10.272 12.441 3.952 1.00 0.00 C ATOM 1837 O LEU A 116 9.887 13.114 3.019 1.00 0.00 O ATOM 1838 CB LEU A 116 9.124 12.995 6.139 1.00 0.00 C ATOM 1839 CG LEU A 116 8.219 14.174 5.699 1.00 0.00 C ATOM 1840 CD1 LEU A 116 7.779 14.968 6.944 1.00 0.00 C ATOM 1841 CD2 LEU A 116 8.968 15.120 4.720 1.00 0.00 C ATOM 0 H LEU A 116 9.955 10.696 6.600 1.00 0.00 H new ATOM 0 HA LEU A 116 8.307 11.792 4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.703 12.522 7.026 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.108 13.373 6.416 1.00 0.00 H new ATOM 0 HG LEU A 116 7.348 13.768 5.184 1.00 0.00 H new ATOM 0 HD11 LEU A 116 7.142 15.799 6.640 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.225 14.313 7.616 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.659 15.355 7.458 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.309 15.938 4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.853 15.525 5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.268 14.562 3.833 1.00 0.00 H new ATOM 1853 N HIS A 117 11.554 12.140 4.080 1.00 0.00 N ATOM 1854 CA HIS A 117 12.541 12.646 3.064 1.00 0.00 C ATOM 1855 C HIS A 117 12.918 11.563 2.035 1.00 0.00 C ATOM 1856 O HIS A 117 12.818 11.804 0.851 1.00 0.00 O ATOM 1857 CB HIS A 117 13.783 13.197 3.780 1.00 0.00 C ATOM 1858 CG HIS A 117 14.627 12.083 4.317 1.00 0.00 C ATOM 1859 ND1 HIS A 117 15.949 11.921 3.949 1.00 0.00 N ATOM 1860 CD2 HIS A 117 14.356 11.081 5.208 1.00 0.00 C ATOM 1861 CE1 HIS A 117 16.424 10.857 4.616 1.00 0.00 C ATOM 1862 NE2 HIS A 117 15.496 10.306 5.401 1.00 0.00 N ATOM 0 H HIS A 117 11.950 11.576 4.832 1.00 0.00 H new ATOM 0 HA HIS A 117 12.070 13.453 2.502 1.00 0.00 H new ATOM 0 HB2 HIS A 117 14.369 13.801 3.088 1.00 0.00 H new ATOM 0 HB3 HIS A 117 13.477 13.853 4.595 1.00 0.00 H new ATOM 0 HD2 HIS A 117 13.403 10.916 5.688 1.00 0.00 H new ATOM 0 HE1 HIS A 117 17.436 10.491 4.528 1.00 0.00 H new ATOM 0 HE2 HIS A 117 15.600 9.494 6.010 1.00 0.00 H new ATOM 1870 N ARG A 118 13.321 10.375 2.429 1.00 0.00 N ATOM 1871 CA ARG A 118 13.650 9.340 1.389 1.00 0.00 C ATOM 1872 C ARG A 118 12.393 8.518 1.076 1.00 0.00 C ATOM 1873 O ARG A 118 11.844 7.850 1.927 1.00 0.00 O ATOM 1874 CB ARG A 118 14.764 8.413 1.883 1.00 0.00 C ATOM 1875 CG ARG A 118 14.487 7.945 3.309 1.00 0.00 C ATOM 1876 CD ARG A 118 15.706 7.179 3.810 1.00 0.00 C ATOM 1877 NE ARG A 118 16.840 8.137 3.982 1.00 0.00 N ATOM 1878 CZ ARG A 118 17.923 7.769 4.612 1.00 0.00 C ATOM 1879 NH1 ARG A 118 18.004 6.568 5.129 1.00 0.00 N ATOM 1880 NH2 ARG A 118 18.924 8.604 4.726 1.00 0.00 N ATOM 0 H ARG A 118 13.435 10.081 3.399 1.00 0.00 H new ATOM 0 HA ARG A 118 13.996 9.844 0.487 1.00 0.00 H new ATOM 0 HB2 ARG A 118 14.845 7.550 1.222 1.00 0.00 H new ATOM 0 HB3 ARG A 118 15.720 8.934 1.846 1.00 0.00 H new ATOM 0 HG2 ARG A 118 14.284 8.799 3.955 1.00 0.00 H new ATOM 0 HG3 ARG A 118 13.603 7.308 3.334 1.00 0.00 H new ATOM 0 HD2 ARG A 118 15.480 6.688 4.756 1.00 0.00 H new ATOM 0 HD3 ARG A 118 15.977 6.396 3.101 1.00 0.00 H new ATOM 0 HE ARG A 118 16.768 9.082 3.606 1.00 0.00 H new ATOM 0 HH11 ARG A 118 17.221 5.920 5.039 1.00 0.00 H new ATOM 0 HH12 ARG A 118 18.850 6.281 5.621 1.00 0.00 H new ATOM 0 HH21 ARG A 118 18.857 9.539 4.323 1.00 0.00 H new ATOM 0 HH22 ARG A 118 19.772 8.320 5.217 1.00 0.00 H new ATOM 1894 N LEU A 119 11.932 8.572 -0.147 1.00 0.00 N ATOM 1895 CA LEU A 119 10.704 7.806 -0.545 1.00 0.00 C ATOM 1896 C LEU A 119 11.087 6.401 -1.048 1.00 0.00 C ATOM 1897 O LEU A 119 10.382 5.825 -1.845 1.00 0.00 O ATOM 1898 CB LEU A 119 9.938 8.565 -1.651 1.00 0.00 C ATOM 1899 CG LEU A 119 10.920 9.308 -2.554 1.00 0.00 C ATOM 1900 CD1 LEU A 119 11.935 8.314 -3.122 1.00 0.00 C ATOM 1901 CD2 LEU A 119 10.148 9.962 -3.707 1.00 0.00 C ATOM 0 H LEU A 119 12.355 9.118 -0.897 1.00 0.00 H new ATOM 0 HA LEU A 119 10.062 7.705 0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 119 9.347 7.864 -2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 119 9.240 9.271 -1.202 1.00 0.00 H new ATOM 0 HG LEU A 119 11.441 10.074 -1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 119 12.638 8.841 -3.767 1.00 0.00 H new ATOM 0 HD12 LEU A 119 12.478 7.841 -2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 119 11.413 7.551 -3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 119 10.844 10.494 -4.355 1.00 0.00 H new ATOM 0 HD22 LEU A 119 9.632 9.193 -4.282 1.00 0.00 H new ATOM 0 HD23 LEU A 119 9.418 10.664 -3.304 1.00 0.00 H new ATOM 1913 N ASP A 120 12.191 5.849 -0.601 1.00 0.00 N ATOM 1914 CA ASP A 120 12.609 4.471 -1.078 1.00 0.00 C ATOM 1915 C ASP A 120 12.719 3.513 0.113 1.00 0.00 C ATOM 1916 O ASP A 120 13.712 2.833 0.289 1.00 0.00 O ATOM 1917 CB ASP A 120 13.965 4.563 -1.771 1.00 0.00 C ATOM 1918 CG ASP A 120 14.995 5.116 -0.787 1.00 0.00 C ATOM 1919 OD1 ASP A 120 14.616 5.390 0.340 1.00 0.00 O ATOM 1920 OD2 ASP A 120 16.144 5.250 -1.171 1.00 0.00 O ATOM 0 H ASP A 120 12.824 6.283 0.070 1.00 0.00 H new ATOM 0 HA ASP A 120 11.860 4.095 -1.775 1.00 0.00 H new ATOM 0 HB2 ASP A 120 14.274 3.579 -2.125 1.00 0.00 H new ATOM 0 HB3 ASP A 120 13.897 5.209 -2.646 1.00 0.00 H new ATOM 1925 N GLY A 121 11.707 3.462 0.929 1.00 0.00 N ATOM 1926 CA GLY A 121 11.721 2.559 2.127 1.00 0.00 C ATOM 1927 C GLY A 121 11.623 1.087 1.710 1.00 0.00 C ATOM 1928 O GLY A 121 12.130 0.677 0.687 1.00 0.00 O ATOM 0 H GLY A 121 10.855 4.013 0.821 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.637 2.719 2.696 1.00 0.00 H new ATOM 0 HA3 GLY A 121 10.889 2.810 2.785 1.00 0.00 H new ATOM 1932 N MET A 122 10.931 0.297 2.504 1.00 0.00 N ATOM 1933 CA MET A 122 10.730 -1.151 2.184 1.00 0.00 C ATOM 1934 C MET A 122 9.315 -1.536 2.616 1.00 0.00 C ATOM 1935 O MET A 122 8.639 -0.777 3.281 1.00 0.00 O ATOM 1936 CB MET A 122 11.757 -2.041 2.906 1.00 0.00 C ATOM 1937 CG MET A 122 11.811 -1.694 4.399 1.00 0.00 C ATOM 1938 SD MET A 122 12.783 -2.938 5.299 1.00 0.00 S ATOM 1939 CE MET A 122 14.312 -2.848 4.330 1.00 0.00 C ATOM 0 H MET A 122 10.492 0.603 3.372 1.00 0.00 H new ATOM 0 HA MET A 122 10.867 -1.303 1.113 1.00 0.00 H new ATOM 0 HB2 MET A 122 11.491 -3.090 2.780 1.00 0.00 H new ATOM 0 HB3 MET A 122 12.742 -1.906 2.459 1.00 0.00 H new ATOM 0 HG2 MET A 122 12.255 -0.708 4.535 1.00 0.00 H new ATOM 0 HG3 MET A 122 10.801 -1.648 4.806 1.00 0.00 H new ATOM 0 HE1 MET A 122 15.152 -3.173 4.944 1.00 0.00 H new ATOM 0 HE2 MET A 122 14.229 -3.496 3.458 1.00 0.00 H new ATOM 0 HE3 MET A 122 14.477 -1.821 4.005 1.00 0.00 H new ATOM 1949 N GLY A 123 8.846 -2.697 2.235 1.00 0.00 N ATOM 1950 CA GLY A 123 7.463 -3.096 2.624 1.00 0.00 C ATOM 1951 C GLY A 123 7.310 -4.607 2.561 1.00 0.00 C ATOM 1952 O GLY A 123 7.388 -5.209 1.508 1.00 0.00 O ATOM 0 H GLY A 123 9.357 -3.380 1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.246 -2.744 3.633 1.00 0.00 H new ATOM 0 HA3 GLY A 123 6.741 -2.623 1.959 1.00 0.00 H new ATOM 1956 N CYS A 124 7.077 -5.223 3.685 1.00 0.00 N ATOM 1957 CA CYS A 124 6.889 -6.696 3.697 1.00 0.00 C ATOM 1958 C CYS A 124 5.451 -7.015 3.303 1.00 0.00 C ATOM 1959 O CYS A 124 4.517 -6.439 3.824 1.00 0.00 O ATOM 1960 CB CYS A 124 7.178 -7.252 5.099 1.00 0.00 C ATOM 1961 SG CYS A 124 8.801 -6.684 5.668 1.00 0.00 S ATOM 0 H CYS A 124 7.009 -4.768 4.596 1.00 0.00 H new ATOM 0 HA CYS A 124 7.577 -7.157 2.989 1.00 0.00 H new ATOM 0 HB2 CYS A 124 6.405 -6.926 5.795 1.00 0.00 H new ATOM 0 HB3 CYS A 124 7.151 -8.341 5.080 1.00 0.00 H new ATOM 0 HG CYS A 124 9.035 -7.158 6.856 1.00 0.00 H new ATOM 1967 N LEU A 125 5.263 -7.942 2.398 1.00 0.00 N ATOM 1968 CA LEU A 125 3.874 -8.333 1.969 1.00 0.00 C ATOM 1969 C LEU A 125 3.693 -9.804 2.310 1.00 0.00 C ATOM 1970 O LEU A 125 4.544 -10.617 2.033 1.00 0.00 O ATOM 1971 CB LEU A 125 3.713 -8.077 0.465 1.00 0.00 C ATOM 1972 CG LEU A 125 2.407 -8.682 -0.084 1.00 0.00 C ATOM 1973 CD1 LEU A 125 1.202 -7.906 0.453 1.00 0.00 C ATOM 1974 CD2 LEU A 125 2.425 -8.594 -1.614 1.00 0.00 C ATOM 0 H LEU A 125 6.014 -8.451 1.932 1.00 0.00 H new ATOM 0 HA LEU A 125 3.113 -7.744 2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.723 -7.004 0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.563 -8.503 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 125 2.329 -9.722 0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.284 -8.342 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.191 -7.959 1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.272 -6.864 0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.505 -9.020 -2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.504 -7.550 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.279 -9.150 -2.000 1.00 0.00 H new ATOM 1986 N GLU A 126 2.617 -10.149 2.957 1.00 0.00 N ATOM 1987 CA GLU A 126 2.430 -11.581 3.361 1.00 0.00 C ATOM 1988 C GLU A 126 0.953 -11.996 3.350 1.00 0.00 C ATOM 1989 O GLU A 126 0.086 -11.277 3.808 1.00 0.00 O ATOM 1990 CB GLU A 126 2.959 -11.755 4.788 1.00 0.00 C ATOM 1991 CG GLU A 126 4.435 -11.351 4.853 1.00 0.00 C ATOM 1992 CD GLU A 126 5.003 -11.729 6.222 1.00 0.00 C ATOM 1993 OE1 GLU A 126 4.291 -12.362 6.980 1.00 0.00 O ATOM 1994 OE2 GLU A 126 6.139 -11.375 6.491 1.00 0.00 O ATOM 0 H GLU A 126 1.864 -9.515 3.224 1.00 0.00 H new ATOM 0 HA GLU A 126 2.968 -12.204 2.646 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.376 -11.145 5.478 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.843 -12.792 5.104 1.00 0.00 H new ATOM 0 HG2 GLU A 126 4.996 -11.851 4.063 1.00 0.00 H new ATOM 0 HG3 GLU A 126 4.538 -10.279 4.687 1.00 0.00 H new ATOM 2001 N PHE A 127 0.686 -13.191 2.874 1.00 0.00 N ATOM 2002 CA PHE A 127 -0.709 -13.744 2.867 1.00 0.00 C ATOM 2003 C PHE A 127 -1.009 -14.291 4.273 1.00 0.00 C ATOM 2004 O PHE A 127 -0.658 -15.413 4.585 1.00 0.00 O ATOM 2005 CB PHE A 127 -0.786 -14.887 1.813 1.00 0.00 C ATOM 2006 CG PHE A 127 -1.589 -14.473 0.592 1.00 0.00 C ATOM 2007 CD1 PHE A 127 -0.984 -13.757 -0.456 1.00 0.00 C ATOM 2008 CD2 PHE A 127 -2.939 -14.833 0.500 1.00 0.00 C ATOM 2009 CE1 PHE A 127 -1.735 -13.403 -1.586 1.00 0.00 C ATOM 2010 CE2 PHE A 127 -3.686 -14.479 -0.625 1.00 0.00 C ATOM 2011 CZ PHE A 127 -3.086 -13.765 -1.668 1.00 0.00 C ATOM 0 H PHE A 127 1.389 -13.818 2.483 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.438 -12.976 2.610 1.00 0.00 H new ATOM 0 HB2 PHE A 127 0.222 -15.168 1.507 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.240 -15.769 2.265 1.00 0.00 H new ATOM 0 HD1 PHE A 127 0.058 -13.480 -0.391 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -3.404 -15.387 1.302 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -1.273 -12.852 -2.392 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -4.728 -14.756 -0.690 1.00 0.00 H new ATOM 0 HZ PHE A 127 -3.665 -13.492 -2.538 1.00 0.00 H new ATOM 2021 N ASP A 128 -1.642 -13.528 5.134 1.00 0.00 N ATOM 2022 CA ASP A 128 -1.932 -14.053 6.512 1.00 0.00 C ATOM 2023 C ASP A 128 -3.212 -13.439 7.071 1.00 0.00 C ATOM 2024 O ASP A 128 -3.477 -13.489 8.252 1.00 0.00 O ATOM 2025 CB ASP A 128 -0.769 -13.706 7.435 1.00 0.00 C ATOM 2026 CG ASP A 128 -0.916 -14.471 8.751 1.00 0.00 C ATOM 2027 OD1 ASP A 128 -1.900 -15.180 8.894 1.00 0.00 O ATOM 2028 OD2 ASP A 128 -0.041 -14.343 9.589 1.00 0.00 O ATOM 0 H ASP A 128 -1.967 -12.579 4.949 1.00 0.00 H new ATOM 0 HA ASP A 128 -2.061 -15.134 6.452 1.00 0.00 H new ATOM 0 HB2 ASP A 128 0.177 -13.961 6.957 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -0.750 -12.633 7.626 1.00 0.00 H new ATOM 2033 N GLU A 129 -3.990 -12.844 6.236 1.00 0.00 N ATOM 2034 CA GLU A 129 -5.240 -12.197 6.716 1.00 0.00 C ATOM 2035 C GLU A 129 -6.252 -13.224 7.277 1.00 0.00 C ATOM 2036 O GLU A 129 -6.768 -14.094 6.585 1.00 0.00 O ATOM 2037 CB GLU A 129 -5.841 -11.430 5.537 1.00 0.00 C ATOM 2038 CG GLU A 129 -5.096 -10.110 5.337 1.00 0.00 C ATOM 2039 CD GLU A 129 -5.465 -9.116 6.443 1.00 0.00 C ATOM 2040 OE1 GLU A 129 -6.525 -9.270 7.030 1.00 0.00 O ATOM 2041 OE2 GLU A 129 -4.681 -8.209 6.679 1.00 0.00 O ATOM 0 H GLU A 129 -3.821 -12.772 5.233 1.00 0.00 H new ATOM 0 HA GLU A 129 -5.007 -11.523 7.540 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -5.779 -12.033 4.631 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -6.898 -11.236 5.719 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -4.021 -10.287 5.343 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -5.344 -9.689 4.363 1.00 0.00 H new ATOM 2048 N GLU A 130 -6.577 -13.095 8.538 1.00 0.00 N ATOM 2049 CA GLU A 130 -7.577 -14.012 9.152 1.00 0.00 C ATOM 2050 C GLU A 130 -8.904 -13.858 8.407 1.00 0.00 C ATOM 2051 O GLU A 130 -9.670 -14.791 8.257 1.00 0.00 O ATOM 2052 CB GLU A 130 -7.747 -13.626 10.623 1.00 0.00 C ATOM 2053 CG GLU A 130 -8.385 -12.236 10.716 1.00 0.00 C ATOM 2054 CD GLU A 130 -8.273 -11.732 12.154 1.00 0.00 C ATOM 2055 OE1 GLU A 130 -8.993 -12.239 12.997 1.00 0.00 O ATOM 2056 OE2 GLU A 130 -7.464 -10.849 12.388 1.00 0.00 O ATOM 0 H GLU A 130 -6.191 -12.392 9.168 1.00 0.00 H new ATOM 0 HA GLU A 130 -7.248 -15.049 9.086 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -8.372 -14.359 11.133 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -6.779 -13.628 11.125 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -7.886 -11.546 10.035 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -9.431 -12.281 10.413 1.00 0.00 H new ATOM 2063 N ARG A 131 -9.166 -12.693 7.894 1.00 0.00 N ATOM 2064 CA ARG A 131 -10.421 -12.519 7.128 1.00 0.00 C ATOM 2065 C ARG A 131 -10.285 -13.319 5.835 1.00 0.00 C ATOM 2066 O ARG A 131 -11.245 -13.583 5.141 1.00 0.00 O ATOM 2067 CB ARG A 131 -10.703 -11.030 6.847 1.00 0.00 C ATOM 2068 CG ARG A 131 -9.447 -10.307 6.355 1.00 0.00 C ATOM 2069 CD ARG A 131 -9.718 -8.799 6.303 1.00 0.00 C ATOM 2070 NE ARG A 131 -10.929 -8.535 5.449 1.00 0.00 N ATOM 2071 CZ ARG A 131 -10.964 -8.870 4.186 1.00 0.00 C ATOM 2072 NH1 ARG A 131 -9.891 -9.303 3.591 1.00 0.00 N ATOM 2073 NH2 ARG A 131 -12.070 -8.736 3.501 1.00 0.00 N ATOM 0 H ARG A 131 -8.574 -11.866 7.971 1.00 0.00 H new ATOM 0 HA ARG A 131 -11.270 -12.885 7.705 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -11.492 -10.942 6.100 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -11.069 -10.550 7.754 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -8.609 -10.515 7.021 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -9.167 -10.672 5.367 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -9.879 -8.413 7.310 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -8.852 -8.277 5.896 1.00 0.00 H new ATOM 0 HE ARG A 131 -11.743 -8.083 5.866 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -9.017 -9.382 4.110 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -9.924 -9.563 2.605 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -12.908 -8.369 3.952 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -12.094 -8.998 2.516 1.00 0.00 H new ATOM 2087 N ALA A 132 -9.084 -13.728 5.524 1.00 0.00 N ATOM 2088 CA ALA A 132 -8.863 -14.534 4.295 1.00 0.00 C ATOM 2089 C ALA A 132 -9.556 -15.873 4.441 1.00 0.00 C ATOM 2090 O ALA A 132 -10.211 -16.345 3.533 1.00 0.00 O ATOM 2091 CB ALA A 132 -7.365 -14.777 4.102 1.00 0.00 C ATOM 0 H ALA A 132 -8.245 -13.536 6.072 1.00 0.00 H new ATOM 0 HA ALA A 132 -9.265 -13.995 3.437 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.206 -15.368 3.200 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -6.851 -13.821 4.005 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -6.970 -15.315 4.963 1.00 0.00 H new ATOM 2097 N GLN A 133 -9.408 -16.501 5.562 1.00 0.00 N ATOM 2098 CA GLN A 133 -10.070 -17.826 5.715 1.00 0.00 C ATOM 2099 C GLN A 133 -11.591 -17.658 5.605 1.00 0.00 C ATOM 2100 O GLN A 133 -12.267 -18.438 4.956 1.00 0.00 O ATOM 2101 CB GLN A 133 -9.699 -18.451 7.070 1.00 0.00 C ATOM 2102 CG GLN A 133 -10.582 -17.891 8.193 1.00 0.00 C ATOM 2103 CD GLN A 133 -9.978 -18.271 9.541 1.00 0.00 C ATOM 2104 OE1 GLN A 133 -8.783 -18.470 9.648 1.00 0.00 O ATOM 2105 NE2 GLN A 133 -10.751 -18.364 10.585 1.00 0.00 N ATOM 0 H GLN A 133 -8.873 -16.171 6.365 1.00 0.00 H new ATOM 0 HA GLN A 133 -9.727 -18.491 4.922 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -9.813 -19.534 7.019 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -8.651 -18.251 7.292 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -10.657 -16.807 8.107 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -11.594 -18.288 8.109 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -11.753 -18.197 10.494 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -10.354 -18.604 11.494 1.00 0.00 H new ATOM 2114 N GLN A 134 -12.150 -16.658 6.244 1.00 0.00 N ATOM 2115 CA GLN A 134 -13.636 -16.495 6.168 1.00 0.00 C ATOM 2116 C GLN A 134 -14.071 -15.907 4.814 1.00 0.00 C ATOM 2117 O GLN A 134 -15.040 -16.351 4.226 1.00 0.00 O ATOM 2118 CB GLN A 134 -14.120 -15.620 7.340 1.00 0.00 C ATOM 2119 CG GLN A 134 -13.994 -14.129 7.013 1.00 0.00 C ATOM 2120 CD GLN A 134 -14.264 -13.317 8.284 1.00 0.00 C ATOM 2121 OE1 GLN A 134 -15.365 -12.847 8.488 1.00 0.00 O ATOM 2122 NE2 GLN A 134 -13.311 -13.146 9.163 1.00 0.00 N ATOM 0 H GLN A 134 -11.655 -15.963 6.803 1.00 0.00 H new ATOM 0 HA GLN A 134 -14.099 -17.479 6.248 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -15.159 -15.857 7.569 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -13.537 -15.849 8.232 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -12.997 -13.910 6.631 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -14.703 -13.853 6.232 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -12.385 -13.540 8.995 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -13.494 -12.619 10.017 1.00 0.00 H new ATOM 2131 N GLU A 135 -13.387 -14.912 4.313 1.00 0.00 N ATOM 2132 CA GLU A 135 -13.809 -14.324 3.008 1.00 0.00 C ATOM 2133 C GLU A 135 -13.629 -15.360 1.901 1.00 0.00 C ATOM 2134 O GLU A 135 -14.361 -15.379 0.935 1.00 0.00 O ATOM 2135 CB GLU A 135 -12.989 -13.047 2.708 1.00 0.00 C ATOM 2136 CG GLU A 135 -11.713 -13.382 1.921 1.00 0.00 C ATOM 2137 CD GLU A 135 -10.749 -12.191 1.968 1.00 0.00 C ATOM 2138 OE1 GLU A 135 -10.995 -11.280 2.744 1.00 0.00 O ATOM 2139 OE2 GLU A 135 -9.779 -12.210 1.228 1.00 0.00 O ATOM 0 H GLU A 135 -12.566 -14.486 4.744 1.00 0.00 H new ATOM 0 HA GLU A 135 -14.861 -14.045 3.058 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -13.598 -12.345 2.138 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -12.724 -12.553 3.643 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -11.235 -14.266 2.344 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -11.964 -13.619 0.887 1.00 0.00 H new ATOM 2146 N ASP A 136 -12.661 -16.223 2.019 1.00 0.00 N ATOM 2147 CA ASP A 136 -12.479 -17.225 0.940 1.00 0.00 C ATOM 2148 C ASP A 136 -13.725 -18.105 0.860 1.00 0.00 C ATOM 2149 O ASP A 136 -14.209 -18.414 -0.207 1.00 0.00 O ATOM 2150 CB ASP A 136 -11.271 -18.112 1.219 1.00 0.00 C ATOM 2151 CG ASP A 136 -10.966 -18.910 -0.048 1.00 0.00 C ATOM 2152 OD1 ASP A 136 -11.736 -19.806 -0.357 1.00 0.00 O ATOM 2153 OD2 ASP A 136 -9.985 -18.599 -0.699 1.00 0.00 O ATOM 0 H ASP A 136 -12.003 -16.278 2.797 1.00 0.00 H new ATOM 0 HA ASP A 136 -12.319 -16.696 0.000 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -10.411 -17.506 1.503 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -11.476 -18.784 2.052 1.00 0.00 H new ATOM 2158 N ALA A 137 -14.250 -18.501 1.989 1.00 0.00 N ATOM 2159 CA ALA A 137 -15.475 -19.355 1.972 1.00 0.00 C ATOM 2160 C ALA A 137 -16.597 -18.580 1.280 1.00 0.00 C ATOM 2161 O ALA A 137 -17.373 -19.130 0.522 1.00 0.00 O ATOM 2162 CB ALA A 137 -15.897 -19.690 3.407 1.00 0.00 C ATOM 0 H ALA A 137 -13.888 -18.273 2.915 1.00 0.00 H new ATOM 0 HA ALA A 137 -15.271 -20.283 1.438 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -16.791 -20.313 3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -15.091 -20.227 3.907 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -16.109 -18.768 3.948 1.00 0.00 H new ATOM 2168 N LEU A 138 -16.685 -17.303 1.544 1.00 0.00 N ATOM 2169 CA LEU A 138 -17.750 -16.469 0.909 1.00 0.00 C ATOM 2170 C LEU A 138 -17.278 -15.975 -0.458 1.00 0.00 C ATOM 2171 O LEU A 138 -18.069 -15.562 -1.283 1.00 0.00 O ATOM 2172 CB LEU A 138 -18.061 -15.251 1.787 1.00 0.00 C ATOM 2173 CG LEU A 138 -18.397 -15.683 3.217 1.00 0.00 C ATOM 2174 CD1 LEU A 138 -18.695 -14.435 4.047 1.00 0.00 C ATOM 2175 CD2 LEU A 138 -19.630 -16.591 3.208 1.00 0.00 C ATOM 0 H LEU A 138 -16.062 -16.799 2.175 1.00 0.00 H new ATOM 0 HA LEU A 138 -18.645 -17.081 0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -17.205 -14.577 1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -18.898 -14.696 1.364 1.00 0.00 H new ATOM 0 HG LEU A 138 -17.556 -16.228 3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -18.936 -14.727 5.069 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -17.821 -13.784 4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -19.541 -13.902 3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -19.865 -16.896 4.228 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -20.477 -16.050 2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -19.427 -17.475 2.603 1.00 0.00 H new ATOM 2187 N ALA A 139 -16.001 -15.990 -0.706 1.00 0.00 N ATOM 2188 CA ALA A 139 -15.515 -15.493 -2.020 1.00 0.00 C ATOM 2189 C ALA A 139 -16.138 -16.346 -3.127 1.00 0.00 C ATOM 2190 O ALA A 139 -16.486 -15.852 -4.180 1.00 0.00 O ATOM 2191 CB ALA A 139 -13.994 -15.607 -2.077 1.00 0.00 C ATOM 0 H ALA A 139 -15.280 -16.321 -0.065 1.00 0.00 H new ATOM 0 HA ALA A 139 -15.798 -14.449 -2.153 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -13.638 -15.243 -3.041 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -13.554 -15.010 -1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -13.702 -16.650 -1.953 1.00 0.00 H new ATOM 2197 N GLN A 140 -16.296 -17.625 -2.889 1.00 0.00 N ATOM 2198 CA GLN A 140 -16.918 -18.510 -3.921 1.00 0.00 C ATOM 2199 C GLN A 140 -18.431 -18.578 -3.707 1.00 0.00 C ATOM 2200 O GLN A 140 -18.914 -18.495 -2.594 1.00 0.00 O ATOM 2201 CB GLN A 140 -16.319 -19.912 -3.832 1.00 0.00 C ATOM 2202 CG GLN A 140 -16.526 -20.500 -2.433 1.00 0.00 C ATOM 2203 CD GLN A 140 -15.642 -21.744 -2.275 1.00 0.00 C ATOM 2204 OE1 GLN A 140 -14.511 -21.757 -2.719 1.00 0.00 O ATOM 2205 NE2 GLN A 140 -16.109 -22.798 -1.665 1.00 0.00 N ATOM 0 H GLN A 140 -16.021 -18.093 -2.026 1.00 0.00 H new ATOM 0 HA GLN A 140 -16.717 -18.098 -4.910 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -16.783 -20.559 -4.576 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -15.254 -19.873 -4.062 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -16.273 -19.760 -1.673 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -17.574 -20.762 -2.287 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -17.058 -22.792 -1.291 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -15.525 -23.628 -1.562 1.00 0.00 H new ATOM 2214 N GLN A 141 -19.181 -18.731 -4.769 1.00 0.00 N ATOM 2215 CA GLN A 141 -20.669 -18.802 -4.651 1.00 0.00 C ATOM 2216 C GLN A 141 -21.121 -20.262 -4.553 1.00 0.00 C ATOM 2217 O GLN A 141 -20.272 -21.134 -4.635 1.00 0.00 O ATOM 2218 CB GLN A 141 -21.297 -18.149 -5.887 1.00 0.00 C ATOM 2219 CG GLN A 141 -20.983 -18.969 -7.148 1.00 0.00 C ATOM 2220 CD GLN A 141 -21.520 -18.227 -8.380 1.00 0.00 C ATOM 2221 OE1 GLN A 141 -21.062 -17.147 -8.700 1.00 0.00 O ATOM 2222 NE2 GLN A 141 -22.486 -18.760 -9.084 1.00 0.00 N ATOM 2223 OXT GLN A 141 -22.314 -20.482 -4.407 1.00 0.00 O ATOM 0 H GLN A 141 -18.823 -18.810 -5.721 1.00 0.00 H new ATOM 0 HA GLN A 141 -20.988 -18.276 -3.751 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -22.376 -18.072 -5.756 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -20.917 -17.134 -6.002 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -19.907 -19.120 -7.240 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -21.438 -19.957 -7.077 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -22.872 -19.666 -8.817 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -22.853 -18.270 -9.899 1.00 0.00 H new TER 2232 GLN A 141