USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 700 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 118 THR OG1 : rot 138:sc= 0.129! USER MOD Set 1.2: A 123 HIS : no HD1:sc= -19! C(o=-19!,f=-22!) USER MOD Set 2.1: A 89 SER OG : rot 180:sc= -0.136 USER MOD Set 2.2: A 95 GLN : amide:sc= -4.12! C(o=-4.3!,f=-4!) USER MOD Set 3.1: A 45 CYS SG : rot 20:sc= -2.65 USER MOD Set 3.2: A 122 TYR OH : rot -6:sc= 0.0709 USER MOD Single : A 36 ASN : amide:sc= -3.98! C(o=-4!,f=-10!) USER MOD Single : A 39 LYS NZ :NH3+ -111:sc= -0.574 (180deg=-2.56!) USER MOD Single : A 42 HIS :FLIP no HE2:sc= -0.693 F(o=-1.5,f=-0.69) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -11.3! C(o=-11!,f=-16!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 146:sc= 0 (180deg=-0.00756) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0.00809 USER MOD Single : A 62 MET CE :methyl -128:sc= -0.0174 (180deg=-0.132) USER MOD Single : A 65 ASN : amide:sc= -1.07! C(o=-1.1!,f=-13!) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.707 F(o=-2.3,f=-0.71) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 42:sc= 1.25 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.098 F(o=-0.74,f=-0.098) USER MOD Single : A 85 MET CE :methyl -150:sc= -2.63! (180deg=-4.25!) USER MOD Single : A 86 THR OG1 : rot 180:sc=-0.00409 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 37:sc= 0.589 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -153:sc= -0.0135 (180deg=-0.281) USER MOD Single : A 126 MET CE :methyl -143:sc= -0.533 (180deg=-2.58!) USER MOD Single : A 131 LYS NZ :NH3+ -116:sc=-0.00145 (180deg=-0.195) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 36 1.609 -16.648 -15.105 1.00 0.00 N ATOM 2 CA ASN A 36 0.702 -16.304 -16.238 1.00 0.00 C ATOM 3 C ASN A 36 -0.390 -15.338 -15.770 1.00 0.00 C ATOM 4 O ASN A 36 -0.808 -14.462 -16.501 1.00 0.00 O ATOM 5 CB ASN A 36 0.098 -17.636 -16.693 1.00 0.00 C ATOM 6 CG ASN A 36 -0.663 -18.286 -15.536 1.00 0.00 C ATOM 7 OD1 ASN A 36 -1.618 -17.730 -15.032 1.00 0.00 O ATOM 8 ND2 ASN A 36 -0.280 -19.454 -15.097 1.00 0.00 N ATOM 0 HA ASN A 36 1.231 -15.807 -17.051 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.574 -17.471 -17.535 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.887 -18.303 -17.041 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.783 -19.901 -14.330 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.522 -19.920 -15.521 1.00 0.00 H new ATOM 15 N ALA A 37 -0.853 -15.479 -14.555 1.00 0.00 N ATOM 16 CA ALA A 37 -1.909 -14.550 -14.056 1.00 0.00 C ATOM 17 C ALA A 37 -1.261 -13.304 -13.464 1.00 0.00 C ATOM 18 O ALA A 37 -0.360 -13.380 -12.653 1.00 0.00 O ATOM 19 CB ALA A 37 -2.673 -15.323 -12.979 1.00 0.00 C ATOM 0 H ALA A 37 -0.548 -16.191 -13.892 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.576 -14.223 -14.854 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.464 -14.694 -12.572 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.111 -16.220 -13.417 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.988 -15.607 -12.180 1.00 0.00 H new ATOM 25 N VAL A 38 -1.707 -12.156 -13.878 1.00 0.00 N ATOM 26 CA VAL A 38 -1.116 -10.895 -13.359 1.00 0.00 C ATOM 27 C VAL A 38 -2.203 -9.831 -13.216 1.00 0.00 C ATOM 28 O VAL A 38 -3.155 -9.811 -13.967 1.00 0.00 O ATOM 29 CB VAL A 38 -0.110 -10.485 -14.429 1.00 0.00 C ATOM 30 CG1 VAL A 38 1.032 -11.500 -14.475 1.00 0.00 C ATOM 31 CG2 VAL A 38 -0.809 -10.439 -15.791 1.00 0.00 C ATOM 0 H VAL A 38 -2.459 -12.035 -14.557 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.656 -11.015 -12.378 1.00 0.00 H new ATOM 0 HB VAL A 38 0.293 -9.500 -14.192 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.750 -11.205 -15.240 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.528 -11.533 -13.505 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.633 -12.486 -14.712 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.092 -10.146 -16.558 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.211 -11.424 -16.027 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.622 -9.714 -15.758 1.00 0.00 H new ATOM 41 N LYS A 39 -2.051 -8.917 -12.298 1.00 0.00 N ATOM 42 CA LYS A 39 -3.073 -7.842 -12.168 1.00 0.00 C ATOM 43 C LYS A 39 -2.599 -6.618 -12.935 1.00 0.00 C ATOM 44 O LYS A 39 -1.508 -6.121 -12.726 1.00 0.00 O ATOM 45 CB LYS A 39 -3.196 -7.542 -10.678 1.00 0.00 C ATOM 46 CG LYS A 39 -4.613 -7.050 -10.375 1.00 0.00 C ATOM 47 CD LYS A 39 -4.599 -5.531 -10.189 1.00 0.00 C ATOM 48 CE LYS A 39 -5.919 -5.081 -9.556 1.00 0.00 C ATOM 49 NZ LYS A 39 -5.576 -3.874 -8.752 1.00 0.00 N ATOM 0 H LYS A 39 -1.273 -8.868 -11.640 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.040 -8.137 -12.574 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.978 -8.437 -10.096 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.466 -6.787 -10.386 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.285 -7.321 -11.189 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.992 -7.533 -9.475 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.762 -5.239 -9.555 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.458 -5.038 -11.151 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.662 -4.848 -10.319 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.342 -5.865 -8.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.665 -4.095 -7.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.599 -3.585 -8.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.225 -3.099 -8.996 1.00 0.00 H new ATOM 63 N VAL A 40 -3.397 -6.145 -13.849 1.00 0.00 N ATOM 64 CA VAL A 40 -2.963 -4.972 -14.656 1.00 0.00 C ATOM 65 C VAL A 40 -3.907 -3.780 -14.489 1.00 0.00 C ATOM 66 O VAL A 40 -5.111 -3.897 -14.592 1.00 0.00 O ATOM 67 CB VAL A 40 -2.980 -5.474 -16.099 1.00 0.00 C ATOM 68 CG1 VAL A 40 -2.857 -4.289 -17.056 1.00 0.00 C ATOM 69 CG2 VAL A 40 -1.803 -6.428 -16.314 1.00 0.00 C ATOM 0 H VAL A 40 -4.321 -6.515 -14.071 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.983 -4.612 -14.344 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.917 -5.997 -16.292 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.869 -4.649 -18.085 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.693 -3.607 -16.900 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.921 -3.764 -16.867 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.811 -6.789 -17.342 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.868 -5.902 -16.121 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.891 -7.274 -15.632 1.00 0.00 H new ATOM 79 N ARG A 41 -3.345 -2.624 -14.260 1.00 0.00 N ATOM 80 CA ARG A 41 -4.165 -1.384 -14.114 1.00 0.00 C ATOM 81 C ARG A 41 -3.727 -0.398 -15.198 1.00 0.00 C ATOM 82 O ARG A 41 -2.610 0.077 -15.187 1.00 0.00 O ATOM 83 CB ARG A 41 -3.823 -0.839 -12.726 1.00 0.00 C ATOM 84 CG ARG A 41 -4.479 -1.708 -11.651 1.00 0.00 C ATOM 85 CD ARG A 41 -4.338 -1.029 -10.285 1.00 0.00 C ATOM 86 NE ARG A 41 -2.868 -0.936 -10.049 1.00 0.00 N ATOM 87 CZ ARG A 41 -2.411 -0.759 -8.839 1.00 0.00 C ATOM 88 NH1 ARG A 41 -2.544 0.399 -8.253 1.00 0.00 N ATOM 89 NH2 ARG A 41 -1.816 -1.739 -8.216 1.00 0.00 N ATOM 0 H ARG A 41 -2.339 -2.483 -14.166 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.236 -1.557 -14.216 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.742 -0.826 -12.587 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.168 0.191 -12.635 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.532 -1.861 -11.885 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.011 -2.692 -11.629 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.801 -0.042 -10.285 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.827 -1.610 -9.503 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.220 -1.011 -10.833 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.005 1.167 -8.740 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.187 0.536 -7.308 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.708 -2.644 -8.674 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.459 -1.600 -7.271 1.00 0.00 H new ATOM 103 N HIS A 42 -4.563 -0.105 -16.158 1.00 0.00 N ATOM 104 CA HIS A 42 -4.109 0.821 -17.235 1.00 0.00 C ATOM 105 C HIS A 42 -5.145 1.890 -17.581 1.00 0.00 C ATOM 106 O HIS A 42 -6.332 1.726 -17.383 1.00 0.00 O ATOM 107 CB HIS A 42 -3.875 -0.085 -18.455 1.00 0.00 C ATOM 108 CG HIS A 42 -5.152 -0.235 -19.255 1.00 0.00 C ATOM 109 ND1 HIS A 42 -6.259 -1.032 -19.085 1.00 0.00 N flip ATOM 110 CD2 HIS A 42 -5.408 0.528 -20.388 1.00 0.00 C flip ATOM 111 CE1 HIS A 42 -7.187 -0.769 -20.091 1.00 0.00 C flip ATOM 112 NE2 HIS A 42 -6.626 0.179 -20.848 1.00 0.00 N flip ATOM 0 H HIS A 42 -5.517 -0.456 -16.243 1.00 0.00 H new ATOM 0 HA HIS A 42 -3.221 1.367 -16.917 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.092 0.337 -19.084 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.527 -1.064 -18.127 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -6.383 -1.713 -18.336 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -4.750 1.267 -20.821 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -8.153 -1.232 -20.229 1.00 0.00 H new ATOM 120 N ILE A 43 -4.686 2.956 -18.170 1.00 0.00 N ATOM 121 CA ILE A 43 -5.609 4.020 -18.625 1.00 0.00 C ATOM 122 C ILE A 43 -5.431 4.150 -20.141 1.00 0.00 C ATOM 123 O ILE A 43 -4.315 4.142 -20.652 1.00 0.00 O ATOM 124 CB ILE A 43 -5.205 5.293 -17.874 1.00 0.00 C ATOM 125 CG1 ILE A 43 -3.744 5.634 -18.153 1.00 0.00 C ATOM 126 CG2 ILE A 43 -5.390 5.066 -16.373 1.00 0.00 C ATOM 127 CD1 ILE A 43 -3.539 7.145 -18.025 1.00 0.00 C ATOM 0 H ILE A 43 -3.699 3.134 -18.356 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.660 3.814 -18.424 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.831 6.119 -18.211 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.096 5.108 -17.452 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.467 5.302 -19.154 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.105 5.967 -15.831 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.435 4.834 -16.166 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.763 4.235 -16.051 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.495 7.389 -18.224 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.176 7.661 -18.744 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.800 7.463 -17.016 1.00 0.00 H new ATOM 139 N LEU A 44 -6.518 4.204 -20.865 1.00 0.00 N ATOM 140 CA LEU A 44 -6.429 4.265 -22.352 1.00 0.00 C ATOM 141 C LEU A 44 -6.764 5.662 -22.883 1.00 0.00 C ATOM 142 O LEU A 44 -7.714 6.291 -22.459 1.00 0.00 O ATOM 143 CB LEU A 44 -7.474 3.253 -22.825 1.00 0.00 C ATOM 144 CG LEU A 44 -7.165 2.833 -24.259 1.00 0.00 C ATOM 145 CD1 LEU A 44 -7.676 1.411 -24.509 1.00 0.00 C ATOM 146 CD2 LEU A 44 -7.858 3.790 -25.220 1.00 0.00 C ATOM 0 H LEU A 44 -7.466 4.208 -20.488 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.423 4.046 -22.709 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.473 2.381 -22.171 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.471 3.691 -22.770 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.087 2.860 -24.417 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.452 1.119 -25.535 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.187 0.722 -23.820 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.754 1.379 -24.350 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.641 3.495 -26.247 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.935 3.757 -25.053 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.495 4.803 -25.049 1.00 0.00 H new ATOM 158 N CYS A 45 -5.989 6.145 -23.819 1.00 0.00 N ATOM 159 CA CYS A 45 -6.256 7.494 -24.395 1.00 0.00 C ATOM 160 C CYS A 45 -5.957 7.490 -25.898 1.00 0.00 C ATOM 161 O CYS A 45 -5.043 6.831 -26.351 1.00 0.00 O ATOM 162 CB CYS A 45 -5.295 8.426 -23.660 1.00 0.00 C ATOM 163 SG CYS A 45 -5.967 8.819 -22.027 1.00 0.00 S ATOM 0 H CYS A 45 -5.181 5.661 -24.210 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.295 7.802 -24.278 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.318 7.953 -23.559 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.148 9.341 -24.234 1.00 0.00 H new ATOM 0 HG CYS A 45 -6.851 7.925 -21.695 1.00 0.00 H new ATOM 169 N GLU A 46 -6.711 8.220 -26.675 1.00 0.00 N ATOM 170 CA GLU A 46 -6.449 8.245 -28.144 1.00 0.00 C ATOM 171 C GLU A 46 -5.018 8.742 -28.395 1.00 0.00 C ATOM 172 O GLU A 46 -4.332 9.128 -27.475 1.00 0.00 O ATOM 173 CB GLU A 46 -7.500 9.195 -28.716 1.00 0.00 C ATOM 174 CG GLU A 46 -8.861 8.495 -28.720 1.00 0.00 C ATOM 175 CD GLU A 46 -9.939 9.476 -29.181 1.00 0.00 C ATOM 176 OE1 GLU A 46 -9.580 10.534 -29.670 1.00 0.00 O ATOM 177 OE2 GLU A 46 -11.108 9.151 -29.039 1.00 0.00 O ATOM 0 H GLU A 46 -7.491 8.796 -26.360 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.521 7.265 -28.615 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.548 10.106 -28.119 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.227 9.492 -29.729 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.835 7.630 -29.382 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.094 8.125 -27.722 1.00 0.00 H new ATOM 184 N LYS A 47 -4.538 8.693 -29.611 1.00 0.00 N ATOM 185 CA LYS A 47 -3.120 9.113 -29.860 1.00 0.00 C ATOM 186 C LYS A 47 -3.004 10.480 -30.541 1.00 0.00 C ATOM 187 O LYS A 47 -3.378 10.659 -31.683 1.00 0.00 O ATOM 188 CB LYS A 47 -2.558 8.027 -30.768 1.00 0.00 C ATOM 189 CG LYS A 47 -1.053 8.237 -30.948 1.00 0.00 C ATOM 190 CD LYS A 47 -0.555 7.394 -32.124 1.00 0.00 C ATOM 191 CE LYS A 47 0.378 6.296 -31.606 1.00 0.00 C ATOM 192 NZ LYS A 47 0.579 5.383 -32.766 1.00 0.00 N ATOM 0 H LYS A 47 -5.056 8.385 -30.434 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.581 9.221 -28.919 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.749 7.044 -30.338 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.058 8.054 -31.736 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.841 9.291 -31.128 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.525 7.957 -30.037 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.400 6.950 -32.650 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.029 8.025 -32.841 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.325 6.712 -31.262 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.064 5.769 -30.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.209 4.603 -32.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.339 4.997 -33.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.007 5.911 -33.553 1.00 0.00 H new ATOM 206 N HIS A 48 -2.474 11.441 -29.834 1.00 0.00 N ATOM 207 CA HIS A 48 -2.304 12.810 -30.406 1.00 0.00 C ATOM 208 C HIS A 48 -0.903 13.317 -30.077 1.00 0.00 C ATOM 209 O HIS A 48 -0.672 14.503 -29.954 1.00 0.00 O ATOM 210 CB HIS A 48 -3.349 13.683 -29.700 1.00 0.00 C ATOM 211 CG HIS A 48 -4.536 12.844 -29.332 1.00 0.00 C ATOM 212 ND1 HIS A 48 -4.970 12.705 -28.025 1.00 0.00 N ATOM 213 CD2 HIS A 48 -5.357 12.055 -30.088 1.00 0.00 C ATOM 214 CE1 HIS A 48 -6.010 11.854 -28.039 1.00 0.00 C ATOM 215 NE2 HIS A 48 -6.288 11.433 -29.273 1.00 0.00 N ATOM 0 H HIS A 48 -2.148 11.336 -28.873 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.430 12.826 -31.489 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.918 14.134 -28.806 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.656 14.500 -30.352 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -4.574 13.163 -27.204 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.290 11.935 -31.159 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -6.554 11.548 -27.158 1.00 0.00 H new ATOM 223 N GLY A 49 0.026 12.421 -29.892 1.00 0.00 N ATOM 224 CA GLY A 49 1.401 12.848 -29.521 1.00 0.00 C ATOM 225 C GLY A 49 1.381 13.279 -28.052 1.00 0.00 C ATOM 226 O GLY A 49 2.334 13.831 -27.538 1.00 0.00 O ATOM 0 H GLY A 49 -0.108 11.414 -29.982 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.107 12.031 -29.669 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.729 13.671 -30.156 1.00 0.00 H new ATOM 230 N LYS A 50 0.287 13.027 -27.377 1.00 0.00 N ATOM 231 CA LYS A 50 0.170 13.411 -25.944 1.00 0.00 C ATOM 232 C LYS A 50 0.644 12.260 -25.054 1.00 0.00 C ATOM 233 O LYS A 50 0.822 12.418 -23.863 1.00 0.00 O ATOM 234 CB LYS A 50 -1.325 13.677 -25.742 1.00 0.00 C ATOM 235 CG LYS A 50 -1.626 13.885 -24.255 1.00 0.00 C ATOM 236 CD LYS A 50 -3.137 13.775 -24.025 1.00 0.00 C ATOM 237 CE LYS A 50 -3.825 15.049 -24.522 1.00 0.00 C ATOM 238 NZ LYS A 50 -4.603 15.548 -23.354 1.00 0.00 N ATOM 0 H LYS A 50 -0.536 12.567 -27.765 1.00 0.00 H new ATOM 0 HA LYS A 50 0.779 14.278 -25.686 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.625 14.558 -26.309 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.907 12.838 -26.125 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.100 13.140 -23.658 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.267 14.863 -23.933 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.533 12.907 -24.551 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.344 13.627 -22.965 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.095 15.787 -24.855 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.477 14.840 -25.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.103 16.421 -23.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.294 14.827 -23.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.956 15.745 -22.564 1.00 0.00 H new ATOM 252 N ILE A 51 0.856 11.103 -25.621 1.00 0.00 N ATOM 253 CA ILE A 51 1.325 9.952 -24.799 1.00 0.00 C ATOM 254 C ILE A 51 2.432 10.419 -23.853 1.00 0.00 C ATOM 255 O ILE A 51 2.460 10.068 -22.690 1.00 0.00 O ATOM 256 CB ILE A 51 1.864 8.930 -25.800 1.00 0.00 C ATOM 257 CG1 ILE A 51 2.079 7.593 -25.089 1.00 0.00 C ATOM 258 CG2 ILE A 51 3.196 9.422 -26.368 1.00 0.00 C ATOM 259 CD1 ILE A 51 2.485 6.526 -26.109 1.00 0.00 C ATOM 0 H ILE A 51 0.725 10.906 -26.613 1.00 0.00 H new ATOM 0 HA ILE A 51 0.531 9.525 -24.186 1.00 0.00 H new ATOM 0 HB ILE A 51 1.148 8.804 -26.613 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.852 7.695 -24.328 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.165 7.291 -24.577 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.579 8.692 -27.081 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.046 10.377 -26.871 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.913 9.547 -25.557 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.637 5.575 -25.599 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.697 6.416 -26.854 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.410 6.826 -26.601 1.00 0.00 H new ATOM 271 N MET A 52 3.338 11.221 -24.342 1.00 0.00 N ATOM 272 CA MET A 52 4.433 11.728 -23.471 1.00 0.00 C ATOM 273 C MET A 52 3.841 12.659 -22.412 1.00 0.00 C ATOM 274 O MET A 52 4.341 12.767 -21.310 1.00 0.00 O ATOM 275 CB MET A 52 5.363 12.492 -24.411 1.00 0.00 C ATOM 276 CG MET A 52 6.541 13.058 -23.619 1.00 0.00 C ATOM 277 SD MET A 52 7.339 14.366 -24.583 1.00 0.00 S ATOM 278 CE MET A 52 8.335 15.058 -23.242 1.00 0.00 C ATOM 0 H MET A 52 3.366 11.547 -25.308 1.00 0.00 H new ATOM 0 HA MET A 52 4.964 10.934 -22.946 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.725 11.830 -25.198 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.819 13.300 -24.900 1.00 0.00 H new ATOM 0 HG2 MET A 52 6.195 13.454 -22.664 1.00 0.00 H new ATOM 0 HG3 MET A 52 7.257 12.267 -23.395 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.921 15.896 -23.619 1.00 0.00 H new ATOM 0 HE2 MET A 52 7.679 15.404 -22.443 1.00 0.00 H new ATOM 0 HE3 MET A 52 9.006 14.292 -22.854 1.00 0.00 H new ATOM 288 N GLU A 53 2.763 13.317 -22.741 1.00 0.00 N ATOM 289 CA GLU A 53 2.110 14.230 -21.762 1.00 0.00 C ATOM 290 C GLU A 53 1.423 13.401 -20.676 1.00 0.00 C ATOM 291 O GLU A 53 1.501 13.703 -19.502 1.00 0.00 O ATOM 292 CB GLU A 53 1.074 15.007 -22.579 1.00 0.00 C ATOM 293 CG GLU A 53 0.327 15.984 -21.667 1.00 0.00 C ATOM 294 CD GLU A 53 -0.719 16.746 -22.484 1.00 0.00 C ATOM 295 OE1 GLU A 53 -0.516 16.896 -23.677 1.00 0.00 O ATOM 296 OE2 GLU A 53 -1.706 17.166 -21.902 1.00 0.00 O ATOM 0 H GLU A 53 2.305 13.261 -23.651 1.00 0.00 H new ATOM 0 HA GLU A 53 2.817 14.896 -21.268 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.566 15.551 -23.386 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.370 14.316 -23.043 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.155 15.442 -20.853 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.029 16.683 -21.212 1.00 0.00 H new ATOM 303 N ALA A 54 0.753 12.350 -21.066 1.00 0.00 N ATOM 304 CA ALA A 54 0.059 11.487 -20.069 1.00 0.00 C ATOM 305 C ALA A 54 1.058 10.976 -19.027 1.00 0.00 C ATOM 306 O ALA A 54 0.832 11.070 -17.838 1.00 0.00 O ATOM 307 CB ALA A 54 -0.508 10.322 -20.882 1.00 0.00 C ATOM 0 H ALA A 54 0.657 12.051 -22.037 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.719 12.025 -19.527 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.036 9.638 -20.218 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.199 10.705 -21.633 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.307 9.792 -21.375 1.00 0.00 H new ATOM 313 N MET A 55 2.161 10.434 -19.466 1.00 0.00 N ATOM 314 CA MET A 55 3.173 9.917 -18.501 1.00 0.00 C ATOM 315 C MET A 55 3.918 11.080 -17.840 1.00 0.00 C ATOM 316 O MET A 55 4.469 10.944 -16.767 1.00 0.00 O ATOM 317 CB MET A 55 4.128 9.069 -19.341 1.00 0.00 C ATOM 318 CG MET A 55 4.950 9.977 -20.256 1.00 0.00 C ATOM 319 SD MET A 55 6.238 9.002 -21.070 1.00 0.00 S ATOM 320 CE MET A 55 7.481 9.129 -19.760 1.00 0.00 C ATOM 0 H MET A 55 2.405 10.327 -20.451 1.00 0.00 H new ATOM 0 HA MET A 55 2.719 9.338 -17.697 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.789 8.496 -18.691 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.565 8.350 -19.936 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.304 10.441 -21.001 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.400 10.784 -19.677 1.00 0.00 H new ATOM 0 HE1 MET A 55 8.061 8.207 -19.718 1.00 0.00 H new ATOM 0 HE2 MET A 55 8.146 9.967 -19.970 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.985 9.290 -18.803 1.00 0.00 H new ATOM 330 N GLU A 56 3.933 12.226 -18.468 1.00 0.00 N ATOM 331 CA GLU A 56 4.637 13.395 -17.864 1.00 0.00 C ATOM 332 C GLU A 56 3.863 13.877 -16.637 1.00 0.00 C ATOM 333 O GLU A 56 4.440 14.247 -15.634 1.00 0.00 O ATOM 334 CB GLU A 56 4.654 14.460 -18.960 1.00 0.00 C ATOM 335 CG GLU A 56 5.298 15.740 -18.423 1.00 0.00 C ATOM 336 CD GLU A 56 6.818 15.570 -18.381 1.00 0.00 C ATOM 337 OE1 GLU A 56 7.286 14.508 -18.755 1.00 0.00 O ATOM 338 OE2 GLU A 56 7.487 16.505 -17.973 1.00 0.00 O ATOM 0 H GLU A 56 3.490 12.403 -19.370 1.00 0.00 H new ATOM 0 HA GLU A 56 5.647 13.156 -17.531 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.209 14.097 -19.825 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.638 14.666 -19.297 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.034 16.586 -19.057 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.919 15.959 -17.425 1.00 0.00 H new ATOM 345 N LYS A 57 2.560 13.853 -16.697 1.00 0.00 N ATOM 346 CA LYS A 57 1.757 14.279 -15.517 1.00 0.00 C ATOM 347 C LYS A 57 1.698 13.112 -14.534 1.00 0.00 C ATOM 348 O LYS A 57 1.546 13.283 -13.342 1.00 0.00 O ATOM 349 CB LYS A 57 0.367 14.598 -16.068 1.00 0.00 C ATOM 350 CG LYS A 57 0.439 15.854 -16.938 1.00 0.00 C ATOM 351 CD LYS A 57 -0.918 16.563 -16.925 1.00 0.00 C ATOM 352 CE LYS A 57 -0.823 17.859 -17.734 1.00 0.00 C ATOM 353 NZ LYS A 57 -2.222 18.157 -18.148 1.00 0.00 N ATOM 0 H LYS A 57 2.018 13.558 -17.509 1.00 0.00 H new ATOM 0 HA LYS A 57 2.175 15.140 -14.996 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.005 13.758 -16.654 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.335 14.750 -15.248 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.214 16.523 -16.565 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.712 15.587 -17.959 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.684 15.913 -17.348 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.216 16.782 -15.900 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.408 18.669 -17.135 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.172 17.737 -18.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.239 19.033 -18.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.589 17.372 -18.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.817 18.275 -17.303 1.00 0.00 H new ATOM 367 N LEU A 58 1.840 11.923 -15.047 1.00 0.00 N ATOM 368 CA LEU A 58 1.821 10.709 -14.188 1.00 0.00 C ATOM 369 C LEU A 58 3.160 10.589 -13.452 1.00 0.00 C ATOM 370 O LEU A 58 3.213 10.326 -12.268 1.00 0.00 O ATOM 371 CB LEU A 58 1.635 9.564 -15.183 1.00 0.00 C ATOM 372 CG LEU A 58 1.756 8.219 -14.471 1.00 0.00 C ATOM 373 CD1 LEU A 58 0.538 8.002 -13.579 1.00 0.00 C ATOM 374 CD2 LEU A 58 1.823 7.104 -15.517 1.00 0.00 C ATOM 0 H LEU A 58 1.971 11.739 -16.042 1.00 0.00 H new ATOM 0 HA LEU A 58 1.042 10.720 -13.426 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.659 9.644 -15.661 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.383 9.634 -15.972 1.00 0.00 H new ATOM 0 HG LEU A 58 2.658 8.208 -13.860 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.625 7.041 -13.071 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.482 8.800 -12.839 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.365 8.009 -14.189 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.910 6.140 -15.016 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.917 7.118 -16.123 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.690 7.259 -16.159 1.00 0.00 H new ATOM 386 N LYS A 59 4.240 10.800 -14.155 1.00 0.00 N ATOM 387 CA LYS A 59 5.586 10.723 -13.519 1.00 0.00 C ATOM 388 C LYS A 59 5.730 9.441 -12.683 1.00 0.00 C ATOM 389 O LYS A 59 5.765 8.349 -13.216 1.00 0.00 O ATOM 390 CB LYS A 59 5.669 11.969 -12.637 1.00 0.00 C ATOM 391 CG LYS A 59 5.391 13.215 -13.480 1.00 0.00 C ATOM 392 CD LYS A 59 6.178 14.399 -12.915 1.00 0.00 C ATOM 393 CE LYS A 59 5.529 14.868 -11.610 1.00 0.00 C ATOM 394 NZ LYS A 59 6.165 16.181 -11.315 1.00 0.00 N ATOM 0 H LYS A 59 4.247 11.024 -15.150 1.00 0.00 H new ATOM 0 HA LYS A 59 6.388 10.688 -14.256 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.947 11.900 -11.824 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.657 12.039 -12.181 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.676 13.037 -14.517 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.324 13.439 -13.477 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.213 14.109 -12.735 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.197 15.215 -13.638 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.449 14.968 -11.720 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.703 14.155 -10.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.771 16.567 -10.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.192 16.053 -11.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.977 16.841 -12.096 1.00 0.00 H new ATOM 408 N SER A 60 5.825 9.559 -11.382 1.00 0.00 N ATOM 409 CA SER A 60 5.978 8.344 -10.532 1.00 0.00 C ATOM 410 C SER A 60 4.627 7.654 -10.347 1.00 0.00 C ATOM 411 O SER A 60 4.550 6.521 -9.914 1.00 0.00 O ATOM 412 CB SER A 60 6.499 8.863 -9.191 1.00 0.00 C ATOM 413 OG SER A 60 5.443 9.516 -8.498 1.00 0.00 O ATOM 0 H SER A 60 5.803 10.444 -10.875 1.00 0.00 H new ATOM 0 HA SER A 60 6.651 7.612 -10.978 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.886 8.037 -8.594 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.326 9.554 -9.352 1.00 0.00 H new ATOM 0 HG SER A 60 5.773 9.848 -7.637 1.00 0.00 H new ATOM 419 N GLY A 61 3.560 8.329 -10.671 1.00 0.00 N ATOM 420 CA GLY A 61 2.215 7.714 -10.514 1.00 0.00 C ATOM 421 C GLY A 61 1.534 8.284 -9.270 1.00 0.00 C ATOM 422 O GLY A 61 0.422 7.921 -8.940 1.00 0.00 O ATOM 0 H GLY A 61 3.562 9.281 -11.038 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.608 7.913 -11.397 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.307 6.631 -10.427 1.00 0.00 H new ATOM 426 N MET A 62 2.186 9.176 -8.573 1.00 0.00 N ATOM 427 CA MET A 62 1.559 9.760 -7.353 1.00 0.00 C ATOM 428 C MET A 62 0.103 10.123 -7.647 1.00 0.00 C ATOM 429 O MET A 62 -0.761 10.012 -6.799 1.00 0.00 O ATOM 430 CB MET A 62 2.373 11.014 -7.041 1.00 0.00 C ATOM 431 CG MET A 62 1.702 11.786 -5.903 1.00 0.00 C ATOM 432 SD MET A 62 2.728 13.204 -5.445 1.00 0.00 S ATOM 433 CE MET A 62 2.197 14.305 -6.779 1.00 0.00 C ATOM 0 H MET A 62 3.119 9.523 -8.794 1.00 0.00 H new ATOM 0 HA MET A 62 1.558 9.065 -6.513 1.00 0.00 H new ATOM 0 HB2 MET A 62 3.390 10.740 -6.759 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.447 11.643 -7.928 1.00 0.00 H new ATOM 0 HG2 MET A 62 0.713 12.125 -6.213 1.00 0.00 H new ATOM 0 HG3 MET A 62 1.560 11.134 -5.041 1.00 0.00 H new ATOM 0 HE1 MET A 62 3.072 14.697 -7.297 1.00 0.00 H new ATOM 0 HE2 MET A 62 1.577 13.751 -7.483 1.00 0.00 H new ATOM 0 HE3 MET A 62 1.622 15.131 -6.361 1.00 0.00 H new ATOM 443 N ARG A 63 -0.176 10.551 -8.847 1.00 0.00 N ATOM 444 CA ARG A 63 -1.575 10.918 -9.203 1.00 0.00 C ATOM 445 C ARG A 63 -2.128 9.933 -10.238 1.00 0.00 C ATOM 446 O ARG A 63 -3.087 10.221 -10.924 1.00 0.00 O ATOM 447 CB ARG A 63 -1.480 12.322 -9.803 1.00 0.00 C ATOM 448 CG ARG A 63 -1.653 13.368 -8.699 1.00 0.00 C ATOM 449 CD ARG A 63 -1.064 14.702 -9.165 1.00 0.00 C ATOM 450 NE ARG A 63 -2.219 15.467 -9.711 1.00 0.00 N ATOM 451 CZ ARG A 63 -2.108 16.750 -9.935 1.00 0.00 C ATOM 452 NH1 ARG A 63 -1.912 17.572 -8.939 1.00 0.00 N ATOM 453 NH2 ARG A 63 -2.192 17.210 -11.153 1.00 0.00 N ATOM 0 H ARG A 63 0.506 10.663 -9.598 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.241 10.888 -8.341 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.516 12.454 -10.294 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.247 12.454 -10.566 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.709 13.488 -8.459 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.155 13.037 -7.788 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.593 15.235 -8.339 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.297 14.550 -9.925 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.098 14.989 -9.910 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.846 17.213 -7.987 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.825 18.573 -9.114 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.344 16.568 -11.931 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.105 18.211 -11.327 1.00 0.00 H new ATOM 467 N PHE A 64 -1.532 8.774 -10.359 1.00 0.00 N ATOM 468 CA PHE A 64 -2.034 7.786 -11.357 1.00 0.00 C ATOM 469 C PHE A 64 -3.559 7.726 -11.303 1.00 0.00 C ATOM 470 O PHE A 64 -4.222 7.651 -12.317 1.00 0.00 O ATOM 471 CB PHE A 64 -1.431 6.443 -10.946 1.00 0.00 C ATOM 472 CG PHE A 64 -1.887 5.377 -11.915 1.00 0.00 C ATOM 473 CD1 PHE A 64 -1.243 5.231 -13.150 1.00 0.00 C ATOM 474 CD2 PHE A 64 -2.956 4.537 -11.581 1.00 0.00 C ATOM 475 CE1 PHE A 64 -1.668 4.247 -14.050 1.00 0.00 C ATOM 476 CE2 PHE A 64 -3.380 3.552 -12.481 1.00 0.00 C ATOM 477 CZ PHE A 64 -2.736 3.407 -13.716 1.00 0.00 C ATOM 0 H PHE A 64 -0.725 8.472 -9.813 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.754 8.053 -12.376 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.343 6.506 -10.941 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.740 6.187 -9.933 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.418 5.878 -13.408 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.454 4.649 -10.629 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.171 4.136 -15.003 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.204 2.904 -12.223 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.063 2.647 -14.410 1.00 0.00 H new ATOM 487 N ASN A 65 -4.123 7.769 -10.127 1.00 0.00 N ATOM 488 CA ASN A 65 -5.607 7.727 -10.021 1.00 0.00 C ATOM 489 C ASN A 65 -6.195 8.998 -10.635 1.00 0.00 C ATOM 490 O ASN A 65 -7.192 8.965 -11.328 1.00 0.00 O ATOM 491 CB ASN A 65 -5.906 7.657 -8.523 1.00 0.00 C ATOM 492 CG ASN A 65 -5.404 8.930 -7.840 1.00 0.00 C ATOM 493 OD1 ASN A 65 -4.439 9.527 -8.272 1.00 0.00 O ATOM 494 ND2 ASN A 65 -6.024 9.373 -6.780 1.00 0.00 N ATOM 0 H ASN A 65 -3.623 7.831 -9.240 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.042 6.879 -10.550 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -6.978 7.544 -8.361 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -5.423 6.783 -8.086 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.698 10.220 -6.315 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.835 8.872 -6.417 1.00 0.00 H new ATOM 501 N GLU A 66 -5.570 10.118 -10.396 1.00 0.00 N ATOM 502 CA GLU A 66 -6.077 11.393 -10.977 1.00 0.00 C ATOM 503 C GLU A 66 -5.838 11.396 -12.488 1.00 0.00 C ATOM 504 O GLU A 66 -6.693 11.771 -13.265 1.00 0.00 O ATOM 505 CB GLU A 66 -5.260 12.492 -10.298 1.00 0.00 C ATOM 506 CG GLU A 66 -5.848 12.784 -8.917 1.00 0.00 C ATOM 507 CD GLU A 66 -7.170 13.538 -9.073 1.00 0.00 C ATOM 508 OE1 GLU A 66 -7.278 14.312 -10.010 1.00 0.00 O ATOM 509 OE2 GLU A 66 -8.050 13.329 -8.255 1.00 0.00 O ATOM 0 H GLU A 66 -4.730 10.205 -9.824 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.146 11.533 -10.818 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.220 12.181 -10.204 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.269 13.396 -10.907 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.010 11.852 -8.375 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.147 13.376 -8.329 1.00 0.00 H new ATOM 516 N VAL A 67 -4.679 10.967 -12.909 1.00 0.00 N ATOM 517 CA VAL A 67 -4.382 10.930 -14.369 1.00 0.00 C ATOM 518 C VAL A 67 -5.224 9.840 -15.036 1.00 0.00 C ATOM 519 O VAL A 67 -5.752 10.020 -16.115 1.00 0.00 O ATOM 520 CB VAL A 67 -2.888 10.600 -14.465 1.00 0.00 C ATOM 521 CG1 VAL A 67 -2.558 10.108 -15.876 1.00 0.00 C ATOM 522 CG2 VAL A 67 -2.072 11.858 -14.160 1.00 0.00 C ATOM 0 H VAL A 67 -3.925 10.641 -12.305 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.616 11.869 -14.870 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.642 9.819 -13.745 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.495 9.874 -15.941 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.140 9.213 -16.095 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.803 10.886 -16.599 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.009 11.627 -14.227 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.321 12.637 -14.881 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.304 12.207 -13.154 1.00 0.00 H new ATOM 532 N ALA A 68 -5.354 8.711 -14.397 1.00 0.00 N ATOM 533 CA ALA A 68 -6.164 7.608 -14.984 1.00 0.00 C ATOM 534 C ALA A 68 -7.628 8.035 -15.108 1.00 0.00 C ATOM 535 O ALA A 68 -8.274 7.791 -16.107 1.00 0.00 O ATOM 536 CB ALA A 68 -6.024 6.447 -13.997 1.00 0.00 C ATOM 0 H ALA A 68 -4.933 8.504 -13.491 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.828 7.335 -15.985 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.594 5.591 -14.358 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.973 6.171 -13.907 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.404 6.751 -13.022 1.00 0.00 H new ATOM 542 N ALA A 69 -8.158 8.673 -14.099 1.00 0.00 N ATOM 543 CA ALA A 69 -9.581 9.114 -14.162 1.00 0.00 C ATOM 544 C ALA A 69 -9.789 10.066 -15.344 1.00 0.00 C ATOM 545 O ALA A 69 -10.759 9.967 -16.070 1.00 0.00 O ATOM 546 CB ALA A 69 -9.831 9.836 -12.839 1.00 0.00 C ATOM 0 H ALA A 69 -7.668 8.907 -13.236 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.266 8.279 -14.305 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.861 10.192 -12.808 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.660 9.148 -12.011 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.151 10.684 -12.753 1.00 0.00 H new ATOM 552 N GLN A 70 -8.888 10.988 -15.542 1.00 0.00 N ATOM 553 CA GLN A 70 -9.040 11.942 -16.678 1.00 0.00 C ATOM 554 C GLN A 70 -8.551 11.300 -17.981 1.00 0.00 C ATOM 555 O GLN A 70 -8.736 11.838 -19.054 1.00 0.00 O ATOM 556 CB GLN A 70 -8.166 13.141 -16.308 1.00 0.00 C ATOM 557 CG GLN A 70 -9.014 14.180 -15.569 1.00 0.00 C ATOM 558 CD GLN A 70 -9.634 13.544 -14.323 1.00 0.00 C ATOM 559 OE1 GLN A 70 -10.733 12.847 -14.439 1.00 0.00 O flip ATOM 560 NE2 GLN A 70 -9.113 13.679 -13.234 1.00 0.00 N flip ATOM 0 H GLN A 70 -8.055 11.123 -14.969 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.079 12.229 -16.839 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.336 12.819 -15.679 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -7.734 13.581 -17.207 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.397 15.033 -15.286 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.798 14.558 -16.225 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.255 14.223 -13.143 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.533 13.248 -12.411 1.00 0.00 H new ATOM 569 N TYR A 71 -7.930 10.154 -17.897 1.00 0.00 N ATOM 570 CA TYR A 71 -7.433 9.484 -19.135 1.00 0.00 C ATOM 571 C TYR A 71 -8.231 8.203 -19.401 1.00 0.00 C ATOM 572 O TYR A 71 -7.930 7.451 -20.308 1.00 0.00 O ATOM 573 CB TYR A 71 -5.966 9.154 -18.850 1.00 0.00 C ATOM 574 CG TYR A 71 -5.122 10.397 -19.014 1.00 0.00 C ATOM 575 CD1 TYR A 71 -5.389 11.531 -18.237 1.00 0.00 C ATOM 576 CD2 TYR A 71 -4.070 10.414 -19.937 1.00 0.00 C ATOM 577 CE1 TYR A 71 -4.603 12.681 -18.382 1.00 0.00 C ATOM 578 CE2 TYR A 71 -3.283 11.565 -20.083 1.00 0.00 C ATOM 579 CZ TYR A 71 -3.550 12.699 -19.305 1.00 0.00 C ATOM 580 OH TYR A 71 -2.774 13.831 -19.446 1.00 0.00 O ATOM 0 H TYR A 71 -7.745 9.654 -17.028 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.543 10.115 -20.017 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.861 8.763 -17.838 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.620 8.376 -19.530 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.201 11.519 -17.526 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -3.864 9.540 -20.537 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.809 13.555 -17.781 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.471 11.577 -20.795 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.087 13.674 -20.127 1.00 0.00 H new ATOM 590 N SER A 72 -9.249 7.950 -18.623 1.00 0.00 N ATOM 591 CA SER A 72 -10.067 6.721 -18.838 1.00 0.00 C ATOM 592 C SER A 72 -10.943 6.901 -20.078 1.00 0.00 C ATOM 593 O SER A 72 -12.078 7.329 -19.992 1.00 0.00 O ATOM 594 CB SER A 72 -10.932 6.599 -17.584 1.00 0.00 C ATOM 595 OG SER A 72 -10.140 6.107 -16.512 1.00 0.00 O ATOM 0 H SER A 72 -9.550 8.541 -17.848 1.00 0.00 H new ATOM 0 HA SER A 72 -9.457 5.832 -18.997 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.354 7.570 -17.324 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.770 5.927 -17.770 1.00 0.00 H new ATOM 0 HG SER A 72 -9.264 6.547 -16.524 1.00 0.00 H new ATOM 601 N GLU A 73 -10.431 6.576 -21.233 1.00 0.00 N ATOM 602 CA GLU A 73 -11.241 6.735 -22.474 1.00 0.00 C ATOM 603 C GLU A 73 -11.806 5.385 -22.925 1.00 0.00 C ATOM 604 O GLU A 73 -11.997 5.143 -24.100 1.00 0.00 O ATOM 605 CB GLU A 73 -10.275 7.295 -23.517 1.00 0.00 C ATOM 606 CG GLU A 73 -11.040 7.606 -24.805 1.00 0.00 C ATOM 607 CD GLU A 73 -10.712 6.550 -25.861 1.00 0.00 C ATOM 608 OE1 GLU A 73 -10.129 5.543 -25.499 1.00 0.00 O ATOM 609 OE2 GLU A 73 -11.049 6.767 -27.013 1.00 0.00 O ATOM 0 H GLU A 73 -9.490 6.208 -21.371 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.096 7.394 -22.321 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.797 8.198 -23.138 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.482 6.575 -23.717 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.112 7.619 -24.609 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.770 8.597 -25.170 1.00 0.00 H new ATOM 616 N ASP A 74 -12.097 4.513 -21.999 1.00 0.00 N ATOM 617 CA ASP A 74 -12.674 3.192 -22.379 1.00 0.00 C ATOM 618 C ASP A 74 -14.190 3.214 -22.165 1.00 0.00 C ATOM 619 O ASP A 74 -14.693 2.790 -21.144 1.00 0.00 O ATOM 620 CB ASP A 74 -12.008 2.176 -21.450 1.00 0.00 C ATOM 621 CG ASP A 74 -10.510 2.116 -21.746 1.00 0.00 C ATOM 622 OD1 ASP A 74 -10.148 2.262 -22.902 1.00 0.00 O ATOM 623 OD2 ASP A 74 -9.749 1.927 -20.811 1.00 0.00 O ATOM 0 H ASP A 74 -11.961 4.657 -20.998 1.00 0.00 H new ATOM 0 HA ASP A 74 -12.499 2.945 -23.426 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -12.172 2.457 -20.410 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.456 1.192 -21.589 1.00 0.00 H new ATOM 628 N LYS A 75 -14.919 3.722 -23.123 1.00 0.00 N ATOM 629 CA LYS A 75 -16.404 3.797 -22.988 1.00 0.00 C ATOM 630 C LYS A 75 -17.037 2.403 -23.075 1.00 0.00 C ATOM 631 O LYS A 75 -17.812 2.011 -22.225 1.00 0.00 O ATOM 632 CB LYS A 75 -16.850 4.660 -24.169 1.00 0.00 C ATOM 633 CG LYS A 75 -18.377 4.712 -24.224 1.00 0.00 C ATOM 634 CD LYS A 75 -18.866 6.015 -23.587 1.00 0.00 C ATOM 635 CE LYS A 75 -20.337 5.871 -23.190 1.00 0.00 C ATOM 636 NZ LYS A 75 -20.688 7.168 -22.546 1.00 0.00 N ATOM 0 H LYS A 75 -14.548 4.090 -23.999 1.00 0.00 H new ATOM 0 HA LYS A 75 -16.708 4.210 -22.026 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -16.446 5.667 -24.068 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -16.457 4.250 -25.100 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -18.717 4.650 -25.258 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -18.800 3.856 -23.698 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -18.264 6.251 -22.710 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -18.747 6.841 -24.288 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -20.964 5.679 -24.061 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -20.481 5.037 -22.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -21.683 7.148 -22.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -20.079 7.320 -21.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -20.547 7.942 -23.226 1.00 0.00 H new ATOM 650 N ALA A 76 -16.724 1.656 -24.098 1.00 0.00 N ATOM 651 CA ALA A 76 -17.319 0.295 -24.238 1.00 0.00 C ATOM 652 C ALA A 76 -16.629 -0.695 -23.293 1.00 0.00 C ATOM 653 O ALA A 76 -17.112 -1.788 -23.070 1.00 0.00 O ATOM 654 CB ALA A 76 -17.076 -0.096 -25.695 1.00 0.00 C ATOM 0 H ALA A 76 -16.083 1.928 -24.843 1.00 0.00 H new ATOM 0 HA ALA A 76 -18.379 0.284 -23.982 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -17.486 -1.089 -25.879 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -17.563 0.625 -26.351 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -16.005 -0.103 -25.896 1.00 0.00 H new ATOM 660 N ARG A 77 -15.511 -0.324 -22.731 1.00 0.00 N ATOM 661 CA ARG A 77 -14.809 -1.256 -21.796 1.00 0.00 C ATOM 662 C ARG A 77 -15.066 -0.827 -20.349 1.00 0.00 C ATOM 663 O ARG A 77 -15.419 -1.628 -19.507 1.00 0.00 O ATOM 664 CB ARG A 77 -13.302 -1.171 -22.109 1.00 0.00 C ATOM 665 CG ARG A 77 -13.048 -0.545 -23.488 1.00 0.00 C ATOM 666 CD ARG A 77 -13.799 -1.337 -24.559 1.00 0.00 C ATOM 667 NE ARG A 77 -12.876 -1.374 -25.729 1.00 0.00 N ATOM 668 CZ ARG A 77 -12.439 -0.260 -26.253 1.00 0.00 C ATOM 669 NH1 ARG A 77 -13.115 0.320 -27.207 1.00 0.00 N ATOM 670 NH2 ARG A 77 -11.327 0.272 -25.824 1.00 0.00 N ATOM 0 H ARG A 77 -15.054 0.576 -22.876 1.00 0.00 H new ATOM 0 HA ARG A 77 -15.171 -2.277 -21.920 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -12.803 -0.579 -21.342 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -12.865 -2.169 -22.075 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -13.377 0.494 -23.493 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -11.980 -0.542 -23.706 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -14.037 -2.343 -24.212 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -14.743 -0.857 -24.816 1.00 0.00 H new ATOM 0 HE ARG A 77 -12.585 -2.270 -26.121 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.983 -0.097 -27.543 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -12.775 1.190 -27.617 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -10.799 -0.182 -25.079 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -10.986 1.142 -26.234 1.00 0.00 H new ATOM 684 N GLN A 78 -14.890 0.433 -20.052 1.00 0.00 N ATOM 685 CA GLN A 78 -15.121 0.912 -18.658 1.00 0.00 C ATOM 686 C GLN A 78 -14.344 0.041 -17.669 1.00 0.00 C ATOM 687 O GLN A 78 -14.792 -0.216 -16.568 1.00 0.00 O ATOM 688 CB GLN A 78 -16.628 0.766 -18.428 1.00 0.00 C ATOM 689 CG GLN A 78 -17.389 1.677 -19.394 1.00 0.00 C ATOM 690 CD GLN A 78 -17.545 3.068 -18.774 1.00 0.00 C ATOM 691 OE1 GLN A 78 -16.981 4.092 -19.353 1.00 0.00 O flip ATOM 692 NE2 GLN A 78 -18.184 3.222 -17.753 1.00 0.00 N flip ATOM 0 H GLN A 78 -14.596 1.151 -20.714 1.00 0.00 H new ATOM 0 HA GLN A 78 -14.786 1.939 -18.515 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -16.929 -0.271 -18.577 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -16.875 1.025 -17.398 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -16.854 1.748 -20.341 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -18.369 1.254 -19.613 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -18.625 2.421 -17.301 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -18.280 4.153 -17.347 1.00 0.00 H new ATOM 701 N GLY A 79 -13.187 -0.422 -18.051 1.00 0.00 N ATOM 702 CA GLY A 79 -12.390 -1.282 -17.133 1.00 0.00 C ATOM 703 C GLY A 79 -11.403 -0.424 -16.341 1.00 0.00 C ATOM 704 O GLY A 79 -11.387 -0.447 -15.126 1.00 0.00 O ATOM 0 H GLY A 79 -12.759 -0.242 -18.959 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.054 -1.812 -16.450 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.851 -2.037 -17.705 1.00 0.00 H new ATOM 708 N GLY A 80 -10.572 0.324 -17.014 1.00 0.00 N ATOM 709 CA GLY A 80 -9.581 1.170 -16.290 1.00 0.00 C ATOM 710 C GLY A 80 -8.562 0.260 -15.604 1.00 0.00 C ATOM 711 O GLY A 80 -7.393 0.260 -15.931 1.00 0.00 O ATOM 0 H GLY A 80 -10.536 0.386 -18.031 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.078 1.842 -16.986 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.085 1.794 -15.553 1.00 0.00 H new ATOM 715 N ASP A 81 -9.002 -0.526 -14.661 1.00 0.00 N ATOM 716 CA ASP A 81 -8.064 -1.448 -13.961 1.00 0.00 C ATOM 717 C ASP A 81 -8.468 -2.899 -14.233 1.00 0.00 C ATOM 718 O ASP A 81 -9.618 -3.267 -14.095 1.00 0.00 O ATOM 719 CB ASP A 81 -8.209 -1.115 -12.476 1.00 0.00 C ATOM 720 CG ASP A 81 -7.661 0.291 -12.214 1.00 0.00 C ATOM 721 OD1 ASP A 81 -6.635 0.620 -12.784 1.00 0.00 O ATOM 722 OD2 ASP A 81 -8.278 1.011 -11.446 1.00 0.00 O ATOM 0 H ASP A 81 -9.971 -0.570 -14.345 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.034 -1.332 -14.298 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.257 -1.170 -12.180 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.669 -1.846 -11.874 1.00 0.00 H new ATOM 727 N LEU A 82 -7.535 -3.726 -14.618 1.00 0.00 N ATOM 728 CA LEU A 82 -7.877 -5.150 -14.900 1.00 0.00 C ATOM 729 C LEU A 82 -7.436 -6.044 -13.741 1.00 0.00 C ATOM 730 O LEU A 82 -6.374 -5.871 -13.179 1.00 0.00 O ATOM 731 CB LEU A 82 -7.095 -5.511 -16.165 1.00 0.00 C ATOM 732 CG LEU A 82 -7.839 -4.995 -17.397 1.00 0.00 C ATOM 733 CD1 LEU A 82 -8.142 -3.505 -17.225 1.00 0.00 C ATOM 734 CD2 LEU A 82 -6.968 -5.197 -18.639 1.00 0.00 C ATOM 0 H LEU A 82 -6.554 -3.479 -14.749 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.951 -5.290 -15.026 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.096 -5.076 -16.123 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.970 -6.592 -16.230 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.773 -5.544 -17.513 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.672 -3.138 -18.104 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.761 -3.359 -16.340 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.208 -2.955 -17.109 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.497 -4.830 -19.518 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.034 -4.647 -18.522 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.752 -6.258 -18.763 1.00 0.00 H new ATOM 746 N GLY A 83 -8.240 -7.009 -13.389 1.00 0.00 N ATOM 747 CA GLY A 83 -7.855 -7.922 -12.280 1.00 0.00 C ATOM 748 C GLY A 83 -6.730 -8.832 -12.769 1.00 0.00 C ATOM 749 O GLY A 83 -5.824 -8.391 -13.459 1.00 0.00 O ATOM 0 H GLY A 83 -9.144 -7.203 -13.820 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.528 -7.348 -11.413 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.712 -8.516 -11.964 1.00 0.00 H new ATOM 753 N TRP A 84 -6.778 -10.096 -12.430 1.00 0.00 N ATOM 754 CA TRP A 84 -5.706 -11.029 -12.887 1.00 0.00 C ATOM 755 C TRP A 84 -6.098 -11.680 -14.215 1.00 0.00 C ATOM 756 O TRP A 84 -7.202 -12.156 -14.384 1.00 0.00 O ATOM 757 CB TRP A 84 -5.563 -12.113 -11.807 1.00 0.00 C ATOM 758 CG TRP A 84 -5.930 -11.580 -10.460 1.00 0.00 C ATOM 759 CD1 TRP A 84 -7.160 -11.662 -9.915 1.00 0.00 C ATOM 760 CD2 TRP A 84 -5.091 -10.906 -9.478 1.00 0.00 C ATOM 761 NE1 TRP A 84 -7.136 -11.074 -8.663 1.00 0.00 N ATOM 762 CE2 TRP A 84 -5.883 -10.594 -8.348 1.00 0.00 C ATOM 763 CE3 TRP A 84 -3.737 -10.536 -9.458 1.00 0.00 C ATOM 764 CZ2 TRP A 84 -5.348 -9.939 -7.238 1.00 0.00 C ATOM 765 CZ3 TRP A 84 -3.195 -9.877 -8.341 1.00 0.00 C ATOM 766 CH2 TRP A 84 -3.999 -9.581 -7.234 1.00 0.00 C ATOM 0 H TRP A 84 -7.510 -10.520 -11.859 1.00 0.00 H new ATOM 0 HA TRP A 84 -4.770 -10.492 -13.037 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -6.201 -12.962 -12.052 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -4.537 -12.480 -11.789 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -8.024 -12.113 -10.380 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -7.947 -11.004 -8.048 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -3.107 -10.759 -10.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -5.974 -9.711 -6.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -2.152 -9.597 -8.337 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.576 -9.076 -6.378 1.00 0.00 H new ATOM 777 N MET A 85 -5.191 -11.723 -15.149 1.00 0.00 N ATOM 778 CA MET A 85 -5.492 -12.363 -16.461 1.00 0.00 C ATOM 779 C MET A 85 -4.327 -13.276 -16.848 1.00 0.00 C ATOM 780 O MET A 85 -3.195 -13.039 -16.476 1.00 0.00 O ATOM 781 CB MET A 85 -5.639 -11.211 -17.454 1.00 0.00 C ATOM 782 CG MET A 85 -4.310 -10.465 -17.577 1.00 0.00 C ATOM 783 SD MET A 85 -4.568 -8.920 -18.483 1.00 0.00 S ATOM 784 CE MET A 85 -5.251 -9.653 -19.991 1.00 0.00 C ATOM 0 H MET A 85 -4.249 -11.341 -15.061 1.00 0.00 H new ATOM 0 HA MET A 85 -6.395 -12.974 -16.437 1.00 0.00 H new ATOM 0 HB2 MET A 85 -5.944 -11.594 -18.428 1.00 0.00 H new ATOM 0 HB3 MET A 85 -6.421 -10.528 -17.121 1.00 0.00 H new ATOM 0 HG2 MET A 85 -3.905 -10.255 -16.587 1.00 0.00 H new ATOM 0 HG3 MET A 85 -3.579 -11.085 -18.095 1.00 0.00 H new ATOM 0 HE1 MET A 85 -5.000 -9.025 -20.846 1.00 0.00 H new ATOM 0 HE2 MET A 85 -4.830 -10.648 -20.135 1.00 0.00 H new ATOM 0 HE3 MET A 85 -6.335 -9.728 -19.901 1.00 0.00 H new ATOM 794 N THR A 86 -4.586 -14.320 -17.584 1.00 0.00 N ATOM 795 CA THR A 86 -3.478 -15.238 -17.973 1.00 0.00 C ATOM 796 C THR A 86 -3.051 -14.965 -19.410 1.00 0.00 C ATOM 797 O THR A 86 -1.883 -15.008 -19.742 1.00 0.00 O ATOM 798 CB THR A 86 -4.066 -16.645 -17.846 1.00 0.00 C ATOM 799 OG1 THR A 86 -5.244 -16.738 -18.636 1.00 0.00 O ATOM 800 CG2 THR A 86 -4.406 -16.923 -16.382 1.00 0.00 C ATOM 0 H THR A 86 -5.510 -14.577 -17.931 1.00 0.00 H new ATOM 0 HA THR A 86 -2.594 -15.108 -17.348 1.00 0.00 H new ATOM 0 HB THR A 86 -3.338 -17.378 -18.194 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.621 -17.639 -18.557 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.825 -17.925 -16.290 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.501 -16.851 -15.778 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.135 -16.191 -16.032 1.00 0.00 H new ATOM 808 N ARG A 87 -3.990 -14.690 -20.268 1.00 0.00 N ATOM 809 CA ARG A 87 -3.640 -14.422 -21.686 1.00 0.00 C ATOM 810 C ARG A 87 -3.952 -12.966 -22.055 1.00 0.00 C ATOM 811 O ARG A 87 -3.132 -12.086 -21.881 1.00 0.00 O ATOM 812 CB ARG A 87 -4.505 -15.392 -22.490 1.00 0.00 C ATOM 813 CG ARG A 87 -4.204 -15.212 -23.973 1.00 0.00 C ATOM 814 CD ARG A 87 -5.024 -16.215 -24.788 1.00 0.00 C ATOM 815 NE ARG A 87 -6.102 -15.405 -25.421 1.00 0.00 N ATOM 816 CZ ARG A 87 -6.847 -15.927 -26.356 1.00 0.00 C ATOM 817 NH1 ARG A 87 -7.821 -16.736 -26.039 1.00 0.00 N ATOM 818 NH2 ARG A 87 -6.618 -15.643 -27.609 1.00 0.00 N ATOM 0 H ARG A 87 -4.985 -14.639 -20.048 1.00 0.00 H new ATOM 0 HA ARG A 87 -2.578 -14.564 -21.885 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.301 -16.419 -22.186 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.561 -15.205 -22.295 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.443 -14.195 -24.282 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.140 -15.360 -24.159 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.409 -16.710 -25.539 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.439 -16.996 -24.151 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.258 -14.442 -25.123 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.000 -16.960 -25.060 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.403 -17.144 -26.770 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.856 -15.012 -27.858 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.201 -16.052 -28.339 1.00 0.00 H new ATOM 832 N GLY A 88 -5.122 -12.704 -22.571 1.00 0.00 N ATOM 833 CA GLY A 88 -5.469 -11.306 -22.954 1.00 0.00 C ATOM 834 C GLY A 88 -4.698 -10.929 -24.221 1.00 0.00 C ATOM 835 O GLY A 88 -3.729 -10.196 -24.175 1.00 0.00 O ATOM 0 H GLY A 88 -5.851 -13.396 -22.744 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.542 -11.218 -23.126 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.219 -10.621 -22.144 1.00 0.00 H new ATOM 839 N SER A 89 -5.114 -11.432 -25.352 1.00 0.00 N ATOM 840 CA SER A 89 -4.397 -11.109 -26.619 1.00 0.00 C ATOM 841 C SER A 89 -5.259 -10.221 -27.520 1.00 0.00 C ATOM 842 O SER A 89 -6.053 -10.702 -28.304 1.00 0.00 O ATOM 843 CB SER A 89 -4.147 -12.458 -27.288 1.00 0.00 C ATOM 844 OG SER A 89 -3.496 -13.325 -26.368 1.00 0.00 O ATOM 0 H SER A 89 -5.918 -12.052 -25.453 1.00 0.00 H new ATOM 0 HA SER A 89 -3.472 -10.562 -26.433 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.091 -12.896 -27.613 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.533 -12.327 -28.179 1.00 0.00 H new ATOM 0 HG SER A 89 -3.335 -14.193 -26.794 1.00 0.00 H new ATOM 850 N MET A 90 -5.099 -8.931 -27.425 1.00 0.00 N ATOM 851 CA MET A 90 -5.897 -8.016 -28.288 1.00 0.00 C ATOM 852 C MET A 90 -4.998 -7.435 -29.382 1.00 0.00 C ATOM 853 O MET A 90 -5.437 -7.163 -30.482 1.00 0.00 O ATOM 854 CB MET A 90 -6.398 -6.918 -27.350 1.00 0.00 C ATOM 855 CG MET A 90 -7.112 -7.558 -26.159 1.00 0.00 C ATOM 856 SD MET A 90 -6.649 -6.690 -24.640 1.00 0.00 S ATOM 857 CE MET A 90 -8.326 -6.333 -24.062 1.00 0.00 C ATOM 0 H MET A 90 -4.450 -8.470 -26.787 1.00 0.00 H new ATOM 0 HA MET A 90 -6.725 -8.520 -28.786 1.00 0.00 H new ATOM 0 HB2 MET A 90 -5.562 -6.310 -27.004 1.00 0.00 H new ATOM 0 HB3 MET A 90 -7.078 -6.252 -27.881 1.00 0.00 H new ATOM 0 HG2 MET A 90 -8.192 -7.513 -26.302 1.00 0.00 H new ATOM 0 HG3 MET A 90 -6.844 -8.612 -26.084 1.00 0.00 H new ATOM 0 HE1 MET A 90 -8.278 -5.790 -23.118 1.00 0.00 H new ATOM 0 HE2 MET A 90 -8.845 -5.726 -24.804 1.00 0.00 H new ATOM 0 HE3 MET A 90 -8.867 -7.268 -23.916 1.00 0.00 H new ATOM 867 N VAL A 91 -3.737 -7.262 -29.089 1.00 0.00 N ATOM 868 CA VAL A 91 -2.794 -6.718 -30.113 1.00 0.00 C ATOM 869 C VAL A 91 -1.380 -7.258 -29.865 1.00 0.00 C ATOM 870 O VAL A 91 -1.177 -8.147 -29.063 1.00 0.00 O ATOM 871 CB VAL A 91 -2.834 -5.193 -29.967 1.00 0.00 C ATOM 872 CG1 VAL A 91 -4.007 -4.632 -30.775 1.00 0.00 C ATOM 873 CG2 VAL A 91 -3.004 -4.811 -28.497 1.00 0.00 C ATOM 0 H VAL A 91 -3.317 -7.474 -28.184 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.078 -7.017 -31.122 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.898 -4.777 -30.339 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.035 -3.547 -30.671 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.882 -4.892 -31.826 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.940 -5.056 -30.404 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.031 -3.725 -28.404 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.935 -5.231 -28.117 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.167 -5.204 -27.920 1.00 0.00 H new ATOM 883 N GLY A 92 -0.408 -6.751 -30.574 1.00 0.00 N ATOM 884 CA GLY A 92 0.987 -7.265 -30.410 1.00 0.00 C ATOM 885 C GLY A 92 1.756 -6.525 -29.300 1.00 0.00 C ATOM 886 O GLY A 92 2.277 -7.152 -28.399 1.00 0.00 O ATOM 0 H GLY A 92 -0.517 -6.004 -31.260 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.955 -8.330 -30.179 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.524 -7.160 -31.353 1.00 0.00 H new ATOM 890 N PRO A 93 1.846 -5.225 -29.418 1.00 0.00 N ATOM 891 CA PRO A 93 2.614 -4.421 -28.422 1.00 0.00 C ATOM 892 C PRO A 93 1.965 -4.439 -27.034 1.00 0.00 C ATOM 893 O PRO A 93 2.643 -4.319 -26.032 1.00 0.00 O ATOM 894 CB PRO A 93 2.610 -3.015 -29.019 1.00 0.00 C ATOM 895 CG PRO A 93 1.416 -2.983 -29.914 1.00 0.00 C ATOM 896 CD PRO A 93 1.250 -4.378 -30.457 1.00 0.00 C ATOM 0 HA PRO A 93 3.617 -4.816 -28.260 1.00 0.00 H new ATOM 0 HB2 PRO A 93 2.541 -2.255 -28.241 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.527 -2.819 -29.575 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.527 -2.673 -29.364 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.557 -2.266 -30.723 1.00 0.00 H new ATOM 0 HD2 PRO A 93 0.200 -4.622 -30.620 1.00 0.00 H new ATOM 0 HD3 PRO A 93 1.758 -4.499 -31.414 1.00 0.00 H new ATOM 904 N PHE A 94 0.673 -4.578 -26.950 1.00 0.00 N ATOM 905 CA PHE A 94 0.022 -4.590 -25.607 1.00 0.00 C ATOM 906 C PHE A 94 0.387 -5.864 -24.838 1.00 0.00 C ATOM 907 O PHE A 94 0.675 -5.827 -23.658 1.00 0.00 O ATOM 908 CB PHE A 94 -1.476 -4.555 -25.892 1.00 0.00 C ATOM 909 CG PHE A 94 -2.231 -4.349 -24.602 1.00 0.00 C ATOM 910 CD1 PHE A 94 -1.976 -3.220 -23.815 1.00 0.00 C ATOM 911 CD2 PHE A 94 -3.190 -5.284 -24.195 1.00 0.00 C ATOM 912 CE1 PHE A 94 -2.678 -3.027 -22.620 1.00 0.00 C ATOM 913 CE2 PHE A 94 -3.894 -5.090 -23.000 1.00 0.00 C ATOM 914 CZ PHE A 94 -3.638 -3.961 -22.213 1.00 0.00 C ATOM 0 H PHE A 94 0.042 -4.683 -27.744 1.00 0.00 H new ATOM 0 HA PHE A 94 0.345 -3.749 -24.993 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -1.705 -3.751 -26.592 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -1.789 -5.487 -26.364 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -1.237 -2.498 -24.130 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -3.387 -6.155 -24.803 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.479 -2.157 -22.012 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -4.634 -5.811 -22.686 1.00 0.00 H new ATOM 0 HZ PHE A 94 -4.181 -3.811 -21.292 1.00 0.00 H new ATOM 924 N GLN A 95 0.366 -6.991 -25.494 1.00 0.00 N ATOM 925 CA GLN A 95 0.699 -8.269 -24.799 1.00 0.00 C ATOM 926 C GLN A 95 2.201 -8.356 -24.504 1.00 0.00 C ATOM 927 O GLN A 95 2.609 -8.609 -23.387 1.00 0.00 O ATOM 928 CB GLN A 95 0.280 -9.366 -25.779 1.00 0.00 C ATOM 929 CG GLN A 95 0.597 -10.739 -25.181 1.00 0.00 C ATOM 930 CD GLN A 95 -0.292 -10.983 -23.958 1.00 0.00 C ATOM 931 OE1 GLN A 95 0.151 -10.847 -22.836 1.00 0.00 O ATOM 932 NE2 GLN A 95 -1.536 -11.339 -24.130 1.00 0.00 N ATOM 0 H GLN A 95 0.132 -7.084 -26.483 1.00 0.00 H new ATOM 0 HA GLN A 95 0.192 -8.356 -23.838 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.786 -9.289 -25.993 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.805 -9.241 -26.726 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.431 -11.518 -25.925 1.00 0.00 H new ATOM 0 HG3 GLN A 95 1.648 -10.789 -24.895 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.908 -11.453 -25.073 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.136 -11.503 -23.322 1.00 0.00 H new ATOM 941 N GLU A 96 3.026 -8.158 -25.495 1.00 0.00 N ATOM 942 CA GLU A 96 4.502 -8.240 -25.273 1.00 0.00 C ATOM 943 C GLU A 96 4.957 -7.209 -24.235 1.00 0.00 C ATOM 944 O GLU A 96 6.009 -7.337 -23.643 1.00 0.00 O ATOM 945 CB GLU A 96 5.123 -7.932 -26.634 1.00 0.00 C ATOM 946 CG GLU A 96 4.767 -9.045 -27.623 1.00 0.00 C ATOM 947 CD GLU A 96 5.414 -8.753 -28.978 1.00 0.00 C ATOM 948 OE1 GLU A 96 6.482 -8.164 -28.987 1.00 0.00 O ATOM 949 OE2 GLU A 96 4.829 -9.124 -29.982 1.00 0.00 O ATOM 0 H GLU A 96 2.744 -7.943 -26.451 1.00 0.00 H new ATOM 0 HA GLU A 96 4.800 -9.217 -24.892 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.759 -6.973 -27.003 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.206 -7.847 -26.540 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.112 -10.007 -27.243 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.685 -9.115 -27.733 1.00 0.00 H new ATOM 956 N ALA A 97 4.186 -6.184 -24.014 1.00 0.00 N ATOM 957 CA ALA A 97 4.597 -5.153 -23.018 1.00 0.00 C ATOM 958 C ALA A 97 4.228 -5.598 -21.600 1.00 0.00 C ATOM 959 O ALA A 97 5.073 -5.717 -20.735 1.00 0.00 O ATOM 960 CB ALA A 97 3.817 -3.896 -23.405 1.00 0.00 C ATOM 0 H ALA A 97 3.293 -6.014 -24.476 1.00 0.00 H new ATOM 0 HA ALA A 97 5.674 -4.985 -23.023 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.065 -3.088 -22.717 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.082 -3.602 -24.421 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.748 -4.101 -23.354 1.00 0.00 H new ATOM 966 N ALA A 98 2.969 -5.832 -21.353 1.00 0.00 N ATOM 967 CA ALA A 98 2.536 -6.256 -19.990 1.00 0.00 C ATOM 968 C ALA A 98 3.268 -7.527 -19.544 1.00 0.00 C ATOM 969 O ALA A 98 3.936 -7.544 -18.530 1.00 0.00 O ATOM 970 CB ALA A 98 1.037 -6.526 -20.125 1.00 0.00 C ATOM 0 H ALA A 98 2.218 -5.748 -22.038 1.00 0.00 H new ATOM 0 HA ALA A 98 2.760 -5.496 -19.241 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.637 -6.845 -19.163 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.531 -5.615 -20.445 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.874 -7.311 -20.864 1.00 0.00 H new ATOM 976 N PHE A 99 3.131 -8.596 -20.281 1.00 0.00 N ATOM 977 CA PHE A 99 3.802 -9.870 -19.883 1.00 0.00 C ATOM 978 C PHE A 99 5.311 -9.810 -20.150 1.00 0.00 C ATOM 979 O PHE A 99 6.089 -10.465 -19.485 1.00 0.00 O ATOM 980 CB PHE A 99 3.149 -10.946 -20.750 1.00 0.00 C ATOM 981 CG PHE A 99 1.850 -11.385 -20.116 1.00 0.00 C ATOM 982 CD1 PHE A 99 0.700 -10.603 -20.261 1.00 0.00 C ATOM 983 CD2 PHE A 99 1.797 -12.579 -19.384 1.00 0.00 C ATOM 984 CE1 PHE A 99 -0.505 -11.012 -19.676 1.00 0.00 C ATOM 985 CE2 PHE A 99 0.593 -12.988 -18.799 1.00 0.00 C ATOM 986 CZ PHE A 99 -0.559 -12.205 -18.945 1.00 0.00 C ATOM 0 H PHE A 99 2.584 -8.644 -21.141 1.00 0.00 H new ATOM 0 HA PHE A 99 3.688 -10.069 -18.817 1.00 0.00 H new ATOM 0 HB2 PHE A 99 2.964 -10.558 -21.752 1.00 0.00 H new ATOM 0 HB3 PHE A 99 3.820 -11.798 -20.857 1.00 0.00 H new ATOM 0 HD1 PHE A 99 0.741 -9.683 -20.825 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.685 -13.183 -19.271 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.393 -10.407 -19.789 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.552 -13.908 -18.235 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.488 -12.521 -18.494 1.00 0.00 H new ATOM 996 N ALA A 100 5.736 -9.043 -21.117 1.00 0.00 N ATOM 997 CA ALA A 100 7.199 -8.969 -21.408 1.00 0.00 C ATOM 998 C ALA A 100 7.722 -7.545 -21.202 1.00 0.00 C ATOM 999 O ALA A 100 8.602 -7.090 -21.906 1.00 0.00 O ATOM 1000 CB ALA A 100 7.333 -9.385 -22.873 1.00 0.00 C ATOM 0 H ALA A 100 5.141 -8.469 -21.714 1.00 0.00 H new ATOM 0 HA ALA A 100 7.779 -9.611 -20.745 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.383 -9.356 -23.165 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.948 -10.397 -23.001 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.763 -8.699 -23.500 1.00 0.00 H new ATOM 1006 N LEU A 101 7.193 -6.837 -20.241 1.00 0.00 N ATOM 1007 CA LEU A 101 7.669 -5.444 -19.993 1.00 0.00 C ATOM 1008 C LEU A 101 9.180 -5.435 -19.736 1.00 0.00 C ATOM 1009 O LEU A 101 9.708 -6.329 -19.103 1.00 0.00 O ATOM 1010 CB LEU A 101 6.918 -4.986 -18.741 1.00 0.00 C ATOM 1011 CG LEU A 101 7.383 -3.583 -18.357 1.00 0.00 C ATOM 1012 CD1 LEU A 101 6.573 -2.550 -19.139 1.00 0.00 C ATOM 1013 CD2 LEU A 101 7.172 -3.366 -16.857 1.00 0.00 C ATOM 0 H LEU A 101 6.453 -7.161 -19.618 1.00 0.00 H new ATOM 0 HA LEU A 101 7.486 -4.791 -20.846 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.844 -4.987 -18.927 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.100 -5.679 -17.920 1.00 0.00 H new ATOM 0 HG LEU A 101 8.441 -3.473 -18.593 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.903 -1.547 -18.867 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.722 -2.704 -20.208 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.515 -2.661 -18.901 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.504 -2.364 -16.584 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.114 -3.475 -16.619 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.747 -4.104 -16.298 1.00 0.00 H new ATOM 1138 N VAL A 110 5.975 -0.225 -11.310 1.00 0.00 N ATOM 1139 CA VAL A 110 5.488 0.965 -12.065 1.00 0.00 C ATOM 1140 C VAL A 110 4.709 0.531 -13.308 1.00 0.00 C ATOM 1141 O VAL A 110 4.182 -0.565 -13.374 1.00 0.00 O ATOM 1142 CB VAL A 110 6.756 1.714 -12.467 1.00 0.00 C ATOM 1143 CG1 VAL A 110 7.511 2.141 -11.211 1.00 0.00 C ATOM 1144 CG2 VAL A 110 7.643 0.795 -13.307 1.00 0.00 C ATOM 0 HA VAL A 110 4.813 1.581 -11.471 1.00 0.00 H new ATOM 0 HB VAL A 110 6.491 2.596 -13.050 1.00 0.00 H new ATOM 0 HG11 VAL A 110 8.417 2.676 -11.495 1.00 0.00 H new ATOM 0 HG12 VAL A 110 6.878 2.794 -10.610 1.00 0.00 H new ATOM 0 HG13 VAL A 110 7.778 1.259 -10.629 1.00 0.00 H new ATOM 0 HG21 VAL A 110 8.549 1.328 -13.595 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.910 -0.086 -12.723 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.103 0.487 -14.202 1.00 0.00 H new ATOM 1154 N PHE A 111 4.631 1.381 -14.294 1.00 0.00 N ATOM 1155 CA PHE A 111 3.888 1.007 -15.525 1.00 0.00 C ATOM 1156 C PHE A 111 4.819 1.020 -16.738 1.00 0.00 C ATOM 1157 O PHE A 111 5.912 1.548 -16.691 1.00 0.00 O ATOM 1158 CB PHE A 111 2.785 2.057 -15.676 1.00 0.00 C ATOM 1159 CG PHE A 111 3.370 3.447 -15.570 1.00 0.00 C ATOM 1160 CD1 PHE A 111 3.489 4.062 -14.318 1.00 0.00 C ATOM 1161 CD2 PHE A 111 3.780 4.124 -16.724 1.00 0.00 C ATOM 1162 CE1 PHE A 111 4.019 5.353 -14.219 1.00 0.00 C ATOM 1163 CE2 PHE A 111 4.309 5.417 -16.624 1.00 0.00 C ATOM 1164 CZ PHE A 111 4.428 6.031 -15.371 1.00 0.00 C ATOM 0 H PHE A 111 5.047 2.312 -14.299 1.00 0.00 H new ATOM 0 HA PHE A 111 3.475 0.000 -15.458 1.00 0.00 H new ATOM 0 HB2 PHE A 111 2.287 1.936 -16.638 1.00 0.00 H new ATOM 0 HB3 PHE A 111 2.028 1.913 -14.905 1.00 0.00 H new ATOM 0 HD1 PHE A 111 3.171 3.539 -13.428 1.00 0.00 H new ATOM 0 HD2 PHE A 111 3.689 3.650 -17.690 1.00 0.00 H new ATOM 0 HE1 PHE A 111 4.112 5.826 -13.252 1.00 0.00 H new ATOM 0 HE2 PHE A 111 4.625 5.941 -17.514 1.00 0.00 H new ATOM 0 HZ PHE A 111 4.836 7.028 -15.295 1.00 0.00 H new ATOM 1174 N THR A 112 4.393 0.432 -17.820 1.00 0.00 N ATOM 1175 CA THR A 112 5.247 0.393 -19.039 1.00 0.00 C ATOM 1176 C THR A 112 5.809 1.782 -19.353 1.00 0.00 C ATOM 1177 O THR A 112 5.084 2.696 -19.693 1.00 0.00 O ATOM 1178 CB THR A 112 4.314 -0.082 -20.152 1.00 0.00 C ATOM 1179 OG1 THR A 112 3.181 0.775 -20.216 1.00 0.00 O ATOM 1180 CG2 THR A 112 3.856 -1.513 -19.859 1.00 0.00 C ATOM 0 H THR A 112 3.486 -0.025 -17.913 1.00 0.00 H new ATOM 0 HA THR A 112 6.109 -0.264 -18.918 1.00 0.00 H new ATOM 0 HB THR A 112 4.843 -0.059 -21.105 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.456 1.696 -20.026 1.00 0.00 H new ATOM 0 HG21 THR A 112 3.190 -1.852 -20.653 1.00 0.00 H new ATOM 0 HG22 THR A 112 4.724 -2.170 -19.809 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.327 -1.538 -18.907 1.00 0.00 H new ATOM 1188 N ASP A 113 7.102 1.941 -19.243 1.00 0.00 N ATOM 1189 CA ASP A 113 7.725 3.263 -19.538 1.00 0.00 C ATOM 1190 C ASP A 113 8.943 3.072 -20.459 1.00 0.00 C ATOM 1191 O ASP A 113 9.870 2.369 -20.106 1.00 0.00 O ATOM 1192 CB ASP A 113 8.166 3.804 -18.178 1.00 0.00 C ATOM 1193 CG ASP A 113 9.132 2.814 -17.524 1.00 0.00 C ATOM 1194 OD1 ASP A 113 9.179 1.680 -17.972 1.00 0.00 O ATOM 1195 OD2 ASP A 113 9.808 3.207 -16.588 1.00 0.00 O ATOM 0 H ASP A 113 7.754 1.209 -18.961 1.00 0.00 H new ATOM 0 HA ASP A 113 7.040 3.943 -20.044 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.649 4.773 -18.300 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.298 3.959 -17.537 1.00 0.00 H new ATOM 1200 N PRO A 114 8.906 3.690 -21.617 1.00 0.00 N ATOM 1201 CA PRO A 114 7.754 4.542 -22.013 1.00 0.00 C ATOM 1202 C PRO A 114 6.514 3.679 -22.249 1.00 0.00 C ATOM 1203 O PRO A 114 6.607 2.474 -22.365 1.00 0.00 O ATOM 1204 CB PRO A 114 8.222 5.203 -23.307 1.00 0.00 C ATOM 1205 CG PRO A 114 9.260 4.278 -23.853 1.00 0.00 C ATOM 1206 CD PRO A 114 9.931 3.638 -22.667 1.00 0.00 C ATOM 0 HA PRO A 114 7.474 5.271 -21.252 1.00 0.00 H new ATOM 0 HB2 PRO A 114 7.397 5.330 -24.008 1.00 0.00 H new ATOM 0 HB3 PRO A 114 8.635 6.194 -23.118 1.00 0.00 H new ATOM 0 HG2 PRO A 114 8.807 3.523 -24.496 1.00 0.00 H new ATOM 0 HG3 PRO A 114 9.983 4.822 -24.461 1.00 0.00 H new ATOM 0 HD2 PRO A 114 10.232 2.613 -22.882 1.00 0.00 H new ATOM 0 HD3 PRO A 114 10.831 4.180 -22.375 1.00 0.00 H new ATOM 1214 N PRO A 115 5.387 4.330 -22.305 1.00 0.00 N ATOM 1215 CA PRO A 115 4.107 3.616 -22.523 1.00 0.00 C ATOM 1216 C PRO A 115 4.030 3.084 -23.954 1.00 0.00 C ATOM 1217 O PRO A 115 4.939 3.260 -24.741 1.00 0.00 O ATOM 1218 CB PRO A 115 3.053 4.692 -22.280 1.00 0.00 C ATOM 1219 CG PRO A 115 3.755 5.983 -22.552 1.00 0.00 C ATOM 1220 CD PRO A 115 5.199 5.778 -22.177 1.00 0.00 C ATOM 0 HA PRO A 115 3.980 2.750 -21.873 1.00 0.00 H new ATOM 0 HB2 PRO A 115 2.195 4.562 -22.940 1.00 0.00 H new ATOM 0 HB3 PRO A 115 2.677 4.654 -21.258 1.00 0.00 H new ATOM 0 HG2 PRO A 115 3.663 6.259 -23.602 1.00 0.00 H new ATOM 0 HG3 PRO A 115 3.315 6.793 -21.970 1.00 0.00 H new ATOM 0 HD2 PRO A 115 5.867 6.329 -22.839 1.00 0.00 H new ATOM 0 HD3 PRO A 115 5.402 6.120 -21.162 1.00 0.00 H new ATOM 1228 N VAL A 116 2.955 2.432 -24.297 1.00 0.00 N ATOM 1229 CA VAL A 116 2.829 1.888 -25.676 1.00 0.00 C ATOM 1230 C VAL A 116 1.848 2.728 -26.496 1.00 0.00 C ATOM 1231 O VAL A 116 0.772 3.068 -26.044 1.00 0.00 O ATOM 1232 CB VAL A 116 2.305 0.462 -25.494 1.00 0.00 C ATOM 1233 CG1 VAL A 116 3.287 -0.333 -24.633 1.00 0.00 C ATOM 1234 CG2 VAL A 116 0.939 0.498 -24.803 1.00 0.00 C ATOM 0 H VAL A 116 2.160 2.253 -23.683 1.00 0.00 H new ATOM 0 HA VAL A 116 3.777 1.906 -26.214 1.00 0.00 H new ATOM 0 HB VAL A 116 2.204 -0.013 -26.470 1.00 0.00 H new ATOM 0 HG11 VAL A 116 2.916 -1.349 -24.502 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.260 -0.362 -25.124 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.386 0.145 -23.659 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.569 -0.519 -24.675 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.037 0.974 -23.827 1.00 0.00 H new ATOM 0 HG23 VAL A 116 0.237 1.065 -25.414 1.00 0.00 H new ATOM 1244 N LYS A 117 2.212 3.058 -27.703 1.00 0.00 N ATOM 1245 CA LYS A 117 1.308 3.865 -28.568 1.00 0.00 C ATOM 1246 C LYS A 117 0.774 2.984 -29.696 1.00 0.00 C ATOM 1247 O LYS A 117 1.528 2.338 -30.397 1.00 0.00 O ATOM 1248 CB LYS A 117 2.181 4.990 -29.126 1.00 0.00 C ATOM 1249 CG LYS A 117 3.218 4.406 -30.087 1.00 0.00 C ATOM 1250 CD LYS A 117 4.293 5.456 -30.377 1.00 0.00 C ATOM 1251 CE LYS A 117 5.222 5.584 -29.168 1.00 0.00 C ATOM 1252 NZ LYS A 117 5.893 6.903 -29.339 1.00 0.00 N ATOM 0 H LYS A 117 3.102 2.802 -28.130 1.00 0.00 H new ATOM 0 HA LYS A 117 0.449 4.262 -28.027 1.00 0.00 H new ATOM 0 HB2 LYS A 117 1.561 5.722 -29.644 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.680 5.515 -28.311 1.00 0.00 H new ATOM 0 HG2 LYS A 117 3.672 3.516 -29.652 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.736 4.097 -31.015 1.00 0.00 H new ATOM 0 HD2 LYS A 117 4.865 5.171 -31.260 1.00 0.00 H new ATOM 0 HD3 LYS A 117 3.828 6.417 -30.595 1.00 0.00 H new ATOM 0 HE2 LYS A 117 4.662 5.544 -28.234 1.00 0.00 H new ATOM 0 HE3 LYS A 117 5.948 4.772 -29.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 6.548 7.065 -28.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 6.423 6.909 -30.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 5.177 7.657 -29.355 1.00 0.00 H new ATOM 1266 N THR A 118 -0.515 2.930 -29.869 1.00 0.00 N ATOM 1267 CA THR A 118 -1.076 2.065 -30.944 1.00 0.00 C ATOM 1268 C THR A 118 -2.078 2.838 -31.803 1.00 0.00 C ATOM 1269 O THR A 118 -2.306 4.015 -31.608 1.00 0.00 O ATOM 1270 CB THR A 118 -1.777 0.937 -30.194 1.00 0.00 C ATOM 1271 OG1 THR A 118 -2.892 1.470 -29.494 1.00 0.00 O ATOM 1272 CG2 THR A 118 -0.803 0.300 -29.201 1.00 0.00 C ATOM 0 H THR A 118 -1.202 3.443 -29.317 1.00 0.00 H new ATOM 0 HA THR A 118 -0.305 1.703 -31.625 1.00 0.00 H new ATOM 0 HB THR A 118 -2.115 0.179 -30.900 1.00 0.00 H new ATOM 0 HG1 THR A 118 -3.655 0.862 -29.583 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.305 -0.506 -28.665 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.055 -0.101 -29.740 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.465 1.053 -28.489 1.00 0.00 H new ATOM 1280 N LYS A 119 -2.679 2.176 -32.754 1.00 0.00 N ATOM 1281 CA LYS A 119 -3.669 2.858 -33.635 1.00 0.00 C ATOM 1282 C LYS A 119 -4.935 3.200 -32.845 1.00 0.00 C ATOM 1283 O LYS A 119 -5.714 4.045 -33.241 1.00 0.00 O ATOM 1284 CB LYS A 119 -3.982 1.844 -34.734 1.00 0.00 C ATOM 1285 CG LYS A 119 -4.912 2.481 -35.767 1.00 0.00 C ATOM 1286 CD LYS A 119 -4.110 3.429 -36.660 1.00 0.00 C ATOM 1287 CE LYS A 119 -4.432 3.141 -38.128 1.00 0.00 C ATOM 1288 NZ LYS A 119 -3.750 1.849 -38.423 1.00 0.00 N ATOM 0 H LYS A 119 -2.526 1.189 -32.959 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.286 3.795 -34.040 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.060 1.515 -35.213 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.451 0.959 -34.304 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -5.385 1.707 -36.372 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.711 3.026 -35.265 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.352 4.464 -36.420 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.043 3.301 -36.479 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.507 3.066 -38.289 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.067 3.938 -38.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.522 1.800 -39.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.873 1.784 -37.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.378 1.059 -38.172 1.00 0.00 H new ATOM 1302 N PHE A 120 -5.145 2.563 -31.724 1.00 0.00 N ATOM 1303 CA PHE A 120 -6.359 2.875 -30.917 1.00 0.00 C ATOM 1304 C PHE A 120 -5.989 3.804 -29.758 1.00 0.00 C ATOM 1305 O PHE A 120 -6.574 3.753 -28.695 1.00 0.00 O ATOM 1306 CB PHE A 120 -6.905 1.534 -30.396 1.00 0.00 C ATOM 1307 CG PHE A 120 -5.780 0.619 -29.971 1.00 0.00 C ATOM 1308 CD1 PHE A 120 -5.178 -0.244 -30.896 1.00 0.00 C ATOM 1309 CD2 PHE A 120 -5.350 0.631 -28.645 1.00 0.00 C ATOM 1310 CE1 PHE A 120 -4.143 -1.094 -30.486 1.00 0.00 C ATOM 1311 CE2 PHE A 120 -4.317 -0.217 -28.232 1.00 0.00 C ATOM 1312 CZ PHE A 120 -3.712 -1.081 -29.153 1.00 0.00 C ATOM 0 H PHE A 120 -4.533 1.846 -31.335 1.00 0.00 H new ATOM 0 HA PHE A 120 -7.114 3.386 -31.514 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -7.572 1.712 -29.552 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -7.497 1.051 -31.174 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -5.511 -0.254 -31.923 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -5.816 1.297 -27.934 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -3.677 -1.760 -31.198 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -3.986 -0.205 -27.204 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.914 -1.736 -28.836 1.00 0.00 H new ATOM 1322 N GLY A 121 -5.024 4.661 -29.964 1.00 0.00 N ATOM 1323 CA GLY A 121 -4.616 5.608 -28.886 1.00 0.00 C ATOM 1324 C GLY A 121 -3.394 5.066 -28.146 1.00 0.00 C ATOM 1325 O GLY A 121 -2.928 3.975 -28.410 1.00 0.00 O ATOM 0 H GLY A 121 -4.500 4.746 -30.835 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -4.388 6.584 -29.315 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.440 5.752 -28.187 1.00 0.00 H new ATOM 1329 N TYR A 122 -2.877 5.814 -27.206 1.00 0.00 N ATOM 1330 CA TYR A 122 -1.695 5.329 -26.439 1.00 0.00 C ATOM 1331 C TYR A 122 -2.160 4.770 -25.094 1.00 0.00 C ATOM 1332 O TYR A 122 -3.267 5.023 -24.661 1.00 0.00 O ATOM 1333 CB TYR A 122 -0.787 6.547 -26.250 1.00 0.00 C ATOM 1334 CG TYR A 122 -1.502 7.629 -25.472 1.00 0.00 C ATOM 1335 CD1 TYR A 122 -1.408 7.657 -24.077 1.00 0.00 C ATOM 1336 CD2 TYR A 122 -2.244 8.607 -26.141 1.00 0.00 C ATOM 1337 CE1 TYR A 122 -2.057 8.662 -23.350 1.00 0.00 C ATOM 1338 CE2 TYR A 122 -2.892 9.613 -25.414 1.00 0.00 C ATOM 1339 CZ TYR A 122 -2.799 9.640 -24.018 1.00 0.00 C ATOM 1340 OH TYR A 122 -3.438 10.631 -23.302 1.00 0.00 O ATOM 0 H TYR A 122 -3.222 6.736 -26.938 1.00 0.00 H new ATOM 0 HA TYR A 122 -1.162 4.531 -26.955 1.00 0.00 H new ATOM 0 HB2 TYR A 122 0.121 6.252 -25.723 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -0.480 6.933 -27.222 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -0.834 6.902 -23.560 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -2.317 8.587 -27.218 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -1.984 8.682 -22.273 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -3.464 10.369 -25.931 1.00 0.00 H new ATOM 0 HH TYR A 122 -3.351 10.449 -22.343 1.00 0.00 H new ATOM 1350 N HIS A 123 -1.344 3.989 -24.439 1.00 0.00 N ATOM 1351 CA HIS A 123 -1.785 3.402 -23.140 1.00 0.00 C ATOM 1352 C HIS A 123 -0.654 3.353 -22.114 1.00 0.00 C ATOM 1353 O HIS A 123 0.503 3.188 -22.448 1.00 0.00 O ATOM 1354 CB HIS A 123 -2.183 1.966 -23.471 1.00 0.00 C ATOM 1355 CG HIS A 123 -3.048 1.927 -24.692 1.00 0.00 C ATOM 1356 ND1 HIS A 123 -4.373 1.541 -24.630 1.00 0.00 N ATOM 1357 CD2 HIS A 123 -2.794 2.196 -26.014 1.00 0.00 C ATOM 1358 CE1 HIS A 123 -4.866 1.585 -25.876 1.00 0.00 C ATOM 1359 NE2 HIS A 123 -3.946 1.979 -26.762 1.00 0.00 N ATOM 0 H HIS A 123 -0.404 3.734 -24.741 1.00 0.00 H new ATOM 0 HA HIS A 123 -2.587 4.002 -22.710 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -1.289 1.363 -23.633 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -2.715 1.527 -22.627 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -1.846 2.525 -26.412 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -5.884 1.332 -26.133 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -4.063 2.095 -27.769 1.00 0.00 H new ATOM 1367 N ILE A 124 -1.000 3.419 -20.858 1.00 0.00 N ATOM 1368 CA ILE A 124 0.035 3.291 -19.791 1.00 0.00 C ATOM 1369 C ILE A 124 -0.511 2.319 -18.742 1.00 0.00 C ATOM 1370 O ILE A 124 -1.570 2.522 -18.183 1.00 0.00 O ATOM 1371 CB ILE A 124 0.272 4.700 -19.228 1.00 0.00 C ATOM 1372 CG1 ILE A 124 -1.025 5.286 -18.679 1.00 0.00 C ATOM 1373 CG2 ILE A 124 0.795 5.608 -20.344 1.00 0.00 C ATOM 1374 CD1 ILE A 124 -0.746 5.946 -17.328 1.00 0.00 C ATOM 0 H ILE A 124 -1.954 3.556 -20.523 1.00 0.00 H new ATOM 0 HA ILE A 124 0.987 2.900 -20.149 1.00 0.00 H new ATOM 0 HB ILE A 124 1.000 4.634 -18.420 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -1.432 6.017 -19.377 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -1.774 4.502 -18.566 1.00 0.00 H new ATOM 0 HG21 ILE A 124 0.965 6.610 -19.949 1.00 0.00 H new ATOM 0 HG22 ILE A 124 1.732 5.207 -20.730 1.00 0.00 H new ATOM 0 HG23 ILE A 124 0.061 5.655 -21.149 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -1.670 6.367 -16.931 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -0.358 5.202 -16.633 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -0.011 6.741 -17.456 1.00 0.00 H new ATOM 1386 N ILE A 125 0.156 1.221 -18.524 1.00 0.00 N ATOM 1387 CA ILE A 125 -0.397 0.214 -17.571 1.00 0.00 C ATOM 1388 C ILE A 125 0.552 -0.087 -16.408 1.00 0.00 C ATOM 1389 O ILE A 125 1.751 -0.186 -16.572 1.00 0.00 O ATOM 1390 CB ILE A 125 -0.589 -1.051 -18.421 1.00 0.00 C ATOM 1391 CG1 ILE A 125 0.767 -1.725 -18.650 1.00 0.00 C ATOM 1392 CG2 ILE A 125 -1.204 -0.692 -19.779 1.00 0.00 C ATOM 1393 CD1 ILE A 125 0.583 -2.966 -19.524 1.00 0.00 C ATOM 0 H ILE A 125 1.047 0.977 -18.956 1.00 0.00 H new ATOM 0 HA ILE A 125 -1.315 0.581 -17.112 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.258 -1.729 -17.892 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.454 -1.028 -19.130 1.00 0.00 H new ATOM 0 HG13 ILE A 125 1.212 -2.004 -17.695 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.334 -1.598 -20.370 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -2.173 -0.217 -19.625 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.543 -0.006 -20.308 1.00 0.00 H new ATOM 0 HD11 ILE A 125 1.549 -3.444 -19.686 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -0.089 -3.665 -19.026 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.157 -2.675 -20.484 1.00 0.00 H new ATOM 1405 N MET A 126 -0.001 -0.290 -15.241 1.00 0.00 N ATOM 1406 CA MET A 126 0.824 -0.651 -14.055 1.00 0.00 C ATOM 1407 C MET A 126 0.767 -2.173 -13.900 1.00 0.00 C ATOM 1408 O MET A 126 -0.300 -2.749 -13.845 1.00 0.00 O ATOM 1409 CB MET A 126 0.145 0.031 -12.864 1.00 0.00 C ATOM 1410 CG MET A 126 0.423 1.533 -12.893 1.00 0.00 C ATOM 1411 SD MET A 126 1.976 1.872 -12.030 1.00 0.00 S ATOM 1412 CE MET A 126 1.466 1.270 -10.402 1.00 0.00 C ATOM 0 H MET A 126 -1.002 -0.220 -15.059 1.00 0.00 H new ATOM 0 HA MET A 126 1.866 -0.342 -14.138 1.00 0.00 H new ATOM 0 HB2 MET A 126 -0.930 -0.149 -12.896 1.00 0.00 H new ATOM 0 HB3 MET A 126 0.512 -0.397 -11.931 1.00 0.00 H new ATOM 0 HG2 MET A 126 0.483 1.883 -13.923 1.00 0.00 H new ATOM 0 HG3 MET A 126 -0.395 2.075 -12.419 1.00 0.00 H new ATOM 0 HE1 MET A 126 1.899 1.904 -9.628 1.00 0.00 H new ATOM 0 HE2 MET A 126 0.379 1.298 -10.328 1.00 0.00 H new ATOM 0 HE3 MET A 126 1.813 0.245 -10.268 1.00 0.00 H new ATOM 1422 N VAL A 127 1.883 -2.839 -13.859 1.00 0.00 N ATOM 1423 CA VAL A 127 1.824 -4.327 -13.746 1.00 0.00 C ATOM 1424 C VAL A 127 2.370 -4.819 -12.405 1.00 0.00 C ATOM 1425 O VAL A 127 3.512 -4.592 -12.065 1.00 0.00 O ATOM 1426 CB VAL A 127 2.686 -4.842 -14.896 1.00 0.00 C ATOM 1427 CG1 VAL A 127 2.614 -6.368 -14.941 1.00 0.00 C ATOM 1428 CG2 VAL A 127 2.165 -4.271 -16.216 1.00 0.00 C ATOM 0 H VAL A 127 2.818 -2.432 -13.898 1.00 0.00 H new ATOM 0 HA VAL A 127 0.797 -4.688 -13.797 1.00 0.00 H new ATOM 0 HB VAL A 127 3.719 -4.530 -14.745 1.00 0.00 H new ATOM 0 HG11 VAL A 127 3.229 -6.737 -15.762 1.00 0.00 H new ATOM 0 HG12 VAL A 127 2.981 -6.777 -14.000 1.00 0.00 H new ATOM 0 HG13 VAL A 127 1.581 -6.679 -15.094 1.00 0.00 H new ATOM 0 HG21 VAL A 127 2.779 -4.637 -17.039 1.00 0.00 H new ATOM 0 HG22 VAL A 127 1.132 -4.586 -16.366 1.00 0.00 H new ATOM 0 HG23 VAL A 127 2.212 -3.182 -16.185 1.00 0.00 H new ATOM 1438 N GLU A 128 1.561 -5.516 -11.653 1.00 0.00 N ATOM 1439 CA GLU A 128 2.028 -6.049 -10.342 1.00 0.00 C ATOM 1440 C GLU A 128 2.035 -7.581 -10.385 1.00 0.00 C ATOM 1441 O GLU A 128 2.734 -8.232 -9.635 1.00 0.00 O ATOM 1442 CB GLU A 128 1.016 -5.536 -9.316 1.00 0.00 C ATOM 1443 CG GLU A 128 -0.326 -6.237 -9.526 1.00 0.00 C ATOM 1444 CD GLU A 128 -1.430 -5.435 -8.832 1.00 0.00 C ATOM 1445 OE1 GLU A 128 -1.481 -4.234 -9.038 1.00 0.00 O ATOM 1446 OE2 GLU A 128 -2.209 -6.038 -8.111 1.00 0.00 O ATOM 0 H GLU A 128 0.595 -5.739 -11.891 1.00 0.00 H new ATOM 0 HA GLU A 128 3.040 -5.729 -10.095 1.00 0.00 H new ATOM 0 HB2 GLU A 128 1.381 -5.722 -8.306 1.00 0.00 H new ATOM 0 HB3 GLU A 128 0.894 -4.458 -9.418 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -0.540 -6.326 -10.591 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -0.288 -7.249 -9.123 1.00 0.00 H new ATOM 1453 N GLY A 129 1.267 -8.159 -11.273 1.00 0.00 N ATOM 1454 CA GLY A 129 1.236 -9.647 -11.384 1.00 0.00 C ATOM 1455 C GLY A 129 0.321 -10.241 -10.311 1.00 0.00 C ATOM 1456 O GLY A 129 -0.436 -9.544 -9.664 1.00 0.00 O ATOM 0 H GLY A 129 0.660 -7.664 -11.926 1.00 0.00 H new ATOM 0 HA2 GLY A 129 0.883 -9.937 -12.374 1.00 0.00 H new ATOM 0 HA3 GLY A 129 2.244 -10.048 -11.275 1.00 0.00 H new ATOM 1460 N ARG A 130 0.390 -11.532 -10.123 1.00 0.00 N ATOM 1461 CA ARG A 130 -0.464 -12.199 -9.096 1.00 0.00 C ATOM 1462 C ARG A 130 0.392 -13.144 -8.254 1.00 0.00 C ATOM 1463 O ARG A 130 0.727 -12.859 -7.121 1.00 0.00 O ATOM 1464 CB ARG A 130 -1.495 -13.000 -9.891 1.00 0.00 C ATOM 1465 CG ARG A 130 -2.221 -13.968 -8.953 1.00 0.00 C ATOM 1466 CD ARG A 130 -2.830 -13.191 -7.783 1.00 0.00 C ATOM 1467 NE ARG A 130 -3.547 -14.216 -6.975 1.00 0.00 N ATOM 1468 CZ ARG A 130 -4.839 -14.353 -7.092 1.00 0.00 C ATOM 1469 NH1 ARG A 130 -5.427 -14.046 -8.216 1.00 0.00 N ATOM 1470 NH2 ARG A 130 -5.544 -14.795 -6.087 1.00 0.00 N ATOM 0 H ARG A 130 1.006 -12.158 -10.641 1.00 0.00 H new ATOM 0 HA ARG A 130 -0.934 -11.484 -8.421 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -2.211 -12.326 -10.361 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -1.004 -13.552 -10.692 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -3.003 -14.499 -9.496 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -1.525 -14.720 -8.580 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -2.059 -12.693 -7.195 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -3.512 -12.417 -8.135 1.00 0.00 H new ATOM 0 HE ARG A 130 -3.028 -14.811 -6.330 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -4.876 -13.699 -9.002 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -6.437 -14.153 -8.309 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -5.085 -15.034 -5.208 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -6.554 -14.901 -6.180 1.00 0.00 H new ATOM 1484 N LYS A 131 0.747 -14.268 -8.810 1.00 0.00 N ATOM 1485 CA LYS A 131 1.585 -15.246 -8.065 1.00 0.00 C ATOM 1486 C LYS A 131 3.044 -14.782 -8.046 1.00 0.00 C ATOM 1487 O LYS A 131 3.475 -14.213 -9.036 1.00 0.00 O ATOM 1488 CB LYS A 131 1.446 -16.551 -8.850 1.00 0.00 C ATOM 1489 CG LYS A 131 2.089 -16.383 -10.229 1.00 0.00 C ATOM 1490 CD LYS A 131 1.358 -17.258 -11.249 1.00 0.00 C ATOM 1491 CE LYS A 131 1.875 -18.695 -11.150 1.00 0.00 C ATOM 1492 NZ LYS A 131 3.146 -18.696 -11.924 1.00 0.00 N ATOM 1493 OXT LYS A 131 3.704 -15.004 -7.045 1.00 0.00 O ATOM 0 H LYS A 131 0.490 -14.553 -9.755 1.00 0.00 H new ATOM 0 HA LYS A 131 1.275 -15.357 -7.026 1.00 0.00 H new ATOM 0 HB2 LYS A 131 1.926 -17.367 -8.309 1.00 0.00 H new ATOM 0 HB3 LYS A 131 0.394 -16.814 -8.956 1.00 0.00 H new ATOM 0 HG2 LYS A 131 2.047 -15.338 -10.536 1.00 0.00 H new ATOM 0 HG3 LYS A 131 3.142 -16.660 -10.186 1.00 0.00 H new ATOM 0 HD2 LYS A 131 0.284 -17.233 -11.063 1.00 0.00 H new ATOM 0 HD3 LYS A 131 1.516 -16.872 -12.256 1.00 0.00 H new ATOM 0 HE2 LYS A 131 2.043 -18.984 -10.113 1.00 0.00 H new ATOM 0 HE3 LYS A 131 1.158 -19.403 -11.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 3.050 -19.324 -12.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 3.356 -17.730 -12.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 3.921 -19.035 -11.319 1.00 0.00 H new