USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 993 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 88 MET CE :methyl 165:sc= -0.0113 (180deg=-0.281) USER MOD Set 1.2: A 100 GLN : amide:sc= -0.52 K(o=-0.53,f=-2.4!) USER MOD Set 2.1: A 33 SER OG : rot 152:sc= 1.8 USER MOD Set 2.2: A 39 TYR OH : rot 180:sc= 0.706 USER MOD Set 3.1: A 17 GLN : amide:sc= -1.44 K(o=-1.9,f=-5.2!) USER MOD Set 3.2: A 115 TYR OH : rot -81:sc= -0.421 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 78:sc= -0.783 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 GLN : amide:sc= -0.201 K(o=-0.2,f=-2.9!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0747 USER MOD Single : A 18 LYS NZ :NH3+ -149:sc= 0 (180deg=-1.31) USER MOD Single : A 21 THR OG1 : rot 111:sc= 0.86 USER MOD Single : A 26 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.1) USER MOD Single : A 43 HIS : no HD1:sc= -4.9! C(o=-4.9!,f=-4.5!) USER MOD Single : A 44 HIS : no HE2:sc= 0.0948 K(o=0.095,f=-0.51) USER MOD Single : A 52 LYS NZ :NH3+ 147:sc= -0.124 (180deg=-0.803) USER MOD Single : A 55 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.196) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 148:sc= -0.0268 (180deg=-0.85) USER MOD Single : A 73 THR OG1 : rot -129:sc= 0.308! USER MOD Single : A 79 ASN : amide:sc= -0.221 K(o=-0.22,f=-2.7!) USER MOD Single : A 80 LYS NZ :NH3+ -165:sc= 0.799 (180deg=0.656) USER MOD Single : A 83 CYS SG : rot -160:sc= -2.82 USER MOD Single : A 87 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 89 GLN : amide:sc= -6.49! C(o=-6.5!,f=-6.2!) USER MOD Single : A 90 SER OG : rot -127:sc= -2.11! USER MOD Single : A 95 LYS NZ :NH3+ -162:sc= -0.0102 (180deg=-0.0965) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.171 K(o=-0.17,f=-1.1) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 69:sc= 0.822 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot 30:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= -2.26! C(o=-2.3!,f=-4.8!) USER MOD Single : A 128 HIS : no HD1:sc= -2.94! C(o=-2.9!,f=-5.6!) USER MOD Single : A 129 HIS :FLIP no HE2:sc= -0.235 F(o=-1.3,f=-0.23) USER MOD Single : A 130 HIS : no HD1:sc= -3.54! C(o=-3.5!,f=-4.9!) USER MOD Single : A 131 HIS : no HD1:sc= -0.505! C(o=-0.5!,f=-5.7!) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -25.738 10.760 3.722 1.00 0.00 N ATOM 2 CA MET A 1 -25.148 9.751 4.646 1.00 0.00 C ATOM 3 C MET A 1 -24.202 10.449 5.628 1.00 0.00 C ATOM 4 O MET A 1 -24.317 10.297 6.828 1.00 0.00 O ATOM 5 CB MET A 1 -24.370 8.711 3.838 1.00 0.00 C ATOM 6 CG MET A 1 -24.247 7.420 4.648 1.00 0.00 C ATOM 7 SD MET A 1 -25.547 6.265 4.145 1.00 0.00 S ATOM 8 CE MET A 1 -25.426 5.154 5.567 1.00 0.00 C ATOM 0 H1 MET A 1 -26.380 10.286 3.055 1.00 0.00 H new ATOM 0 H2 MET A 1 -26.268 11.466 4.272 1.00 0.00 H new ATOM 0 H3 MET A 1 -24.978 11.233 3.193 1.00 0.00 H new ATOM 0 HA MET A 1 -25.946 9.256 5.200 1.00 0.00 H new ATOM 0 HB2 MET A 1 -24.879 8.513 2.895 1.00 0.00 H new ATOM 0 HB3 MET A 1 -23.380 9.094 3.592 1.00 0.00 H new ATOM 0 HG2 MET A 1 -23.266 6.971 4.490 1.00 0.00 H new ATOM 0 HG3 MET A 1 -24.331 7.637 5.713 1.00 0.00 H new ATOM 0 HE1 MET A 1 -26.154 4.350 5.463 1.00 0.00 H new ATOM 0 HE2 MET A 1 -24.422 4.731 5.614 1.00 0.00 H new ATOM 0 HE3 MET A 1 -25.628 5.711 6.482 1.00 0.00 H new ATOM 20 N SER A 2 -23.268 11.211 5.128 1.00 0.00 N ATOM 21 CA SER A 2 -22.317 11.914 6.036 1.00 0.00 C ATOM 22 C SER A 2 -22.889 13.284 6.410 1.00 0.00 C ATOM 23 O SER A 2 -24.045 13.570 6.174 1.00 0.00 O ATOM 24 CB SER A 2 -20.974 12.098 5.327 1.00 0.00 C ATOM 25 OG SER A 2 -21.095 11.673 3.975 1.00 0.00 O ATOM 0 H SER A 2 -23.122 11.377 4.132 1.00 0.00 H new ATOM 0 HA SER A 2 -22.171 11.321 6.939 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.669 13.144 5.366 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.200 11.522 5.834 1.00 0.00 H new ATOM 0 HG SER A 2 -21.551 12.366 3.454 1.00 0.00 H new ATOM 31 N HIS A 3 -22.086 14.131 6.993 1.00 0.00 N ATOM 32 CA HIS A 3 -22.580 15.482 7.381 1.00 0.00 C ATOM 33 C HIS A 3 -21.503 16.523 7.074 1.00 0.00 C ATOM 34 O HIS A 3 -20.399 16.453 7.576 1.00 0.00 O ATOM 35 CB HIS A 3 -22.894 15.499 8.879 1.00 0.00 C ATOM 36 CG HIS A 3 -24.165 16.268 9.118 1.00 0.00 C ATOM 37 ND1 HIS A 3 -24.199 17.656 9.137 1.00 0.00 N ATOM 38 CD2 HIS A 3 -25.455 15.859 9.351 1.00 0.00 C ATOM 39 CE1 HIS A 3 -25.471 18.029 9.376 1.00 0.00 C ATOM 40 NE2 HIS A 3 -26.273 16.973 9.514 1.00 0.00 N ATOM 0 H HIS A 3 -21.108 13.946 7.218 1.00 0.00 H new ATOM 0 HA HIS A 3 -23.484 15.716 6.818 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -22.998 14.480 9.251 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -22.071 15.956 9.428 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -25.784 14.831 9.400 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -25.800 19.055 9.447 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -27.276 16.980 9.700 1.00 0.00 H new ATOM 48 N GLN A 4 -21.811 17.487 6.252 1.00 0.00 N ATOM 49 CA GLN A 4 -20.801 18.528 5.915 1.00 0.00 C ATOM 50 C GLN A 4 -19.475 17.849 5.566 1.00 0.00 C ATOM 51 O GLN A 4 -18.416 18.433 5.685 1.00 0.00 O ATOM 52 CB GLN A 4 -20.600 19.452 7.116 1.00 0.00 C ATOM 53 CG GLN A 4 -19.684 20.612 6.719 1.00 0.00 C ATOM 54 CD GLN A 4 -20.027 21.846 7.554 1.00 0.00 C ATOM 55 OE1 GLN A 4 -21.002 21.852 8.281 1.00 0.00 O ATOM 56 NE2 GLN A 4 -19.262 22.900 7.481 1.00 0.00 N ATOM 0 H GLN A 4 -22.718 17.599 5.799 1.00 0.00 H new ATOM 0 HA GLN A 4 -21.148 19.113 5.063 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -21.561 19.835 7.459 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -20.163 18.897 7.946 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -18.641 20.334 6.873 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -19.801 20.834 5.658 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -18.444 22.895 6.871 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -19.482 23.729 8.034 1.00 0.00 H new ATOM 65 N ASP A 5 -19.525 16.618 5.136 1.00 0.00 N ATOM 66 CA ASP A 5 -18.270 15.899 4.780 1.00 0.00 C ATOM 67 C ASP A 5 -18.561 14.894 3.664 1.00 0.00 C ATOM 68 O ASP A 5 -19.197 13.880 3.876 1.00 0.00 O ATOM 69 CB ASP A 5 -17.739 15.157 6.012 1.00 0.00 C ATOM 70 CG ASP A 5 -16.375 15.730 6.406 1.00 0.00 C ATOM 71 OD1 ASP A 5 -15.559 15.925 5.521 1.00 0.00 O ATOM 72 OD2 ASP A 5 -16.172 15.964 7.586 1.00 0.00 O ATOM 0 H ASP A 5 -20.382 16.079 5.016 1.00 0.00 H new ATOM 0 HA ASP A 5 -17.523 16.616 4.439 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -18.440 15.258 6.840 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -17.650 14.092 5.798 1.00 0.00 H new ATOM 77 N ASP A 6 -18.103 15.169 2.474 1.00 0.00 N ATOM 78 CA ASP A 6 -18.354 14.233 1.342 1.00 0.00 C ATOM 79 C ASP A 6 -17.985 12.807 1.759 1.00 0.00 C ATOM 80 O ASP A 6 -16.867 12.367 1.581 1.00 0.00 O ATOM 81 CB ASP A 6 -17.505 14.650 0.139 1.00 0.00 C ATOM 82 CG ASP A 6 -17.447 16.177 0.058 1.00 0.00 C ATOM 83 OD1 ASP A 6 -18.484 16.799 0.222 1.00 0.00 O ATOM 84 OD2 ASP A 6 -16.367 16.699 -0.169 1.00 0.00 O ATOM 0 H ASP A 6 -17.565 16.002 2.236 1.00 0.00 H new ATOM 0 HA ASP A 6 -19.410 14.267 1.073 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -16.499 14.242 0.232 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.930 14.243 -0.778 1.00 0.00 H new ATOM 89 N TYR A 7 -18.919 12.080 2.309 1.00 0.00 N ATOM 90 CA TYR A 7 -18.625 10.682 2.735 1.00 0.00 C ATOM 91 C TYR A 7 -17.211 10.607 3.312 1.00 0.00 C ATOM 92 O TYR A 7 -16.615 11.609 3.654 1.00 0.00 O ATOM 93 CB TYR A 7 -18.732 9.749 1.526 1.00 0.00 C ATOM 94 CG TYR A 7 -18.410 10.517 0.266 1.00 0.00 C ATOM 95 CD1 TYR A 7 -19.417 11.226 -0.401 1.00 0.00 C ATOM 96 CD2 TYR A 7 -17.102 10.519 -0.235 1.00 0.00 C ATOM 97 CE1 TYR A 7 -19.116 11.936 -1.568 1.00 0.00 C ATOM 98 CE2 TYR A 7 -16.802 11.232 -1.403 1.00 0.00 C ATOM 99 CZ TYR A 7 -17.810 11.939 -2.070 1.00 0.00 C ATOM 100 OH TYR A 7 -17.513 12.641 -3.220 1.00 0.00 O ATOM 0 H TYR A 7 -19.874 12.394 2.482 1.00 0.00 H new ATOM 0 HA TYR A 7 -19.343 10.377 3.497 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -18.045 8.910 1.639 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -19.737 9.332 1.463 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -20.425 11.225 -0.014 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -16.326 9.971 0.279 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -19.893 12.483 -2.082 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -15.793 11.236 -1.789 1.00 0.00 H new ATOM 0 HH TYR A 7 -16.561 12.539 -3.429 1.00 0.00 H new ATOM 110 N LEU A 8 -16.669 9.425 3.424 1.00 0.00 N ATOM 111 CA LEU A 8 -15.293 9.287 3.979 1.00 0.00 C ATOM 112 C LEU A 8 -14.489 8.310 3.119 1.00 0.00 C ATOM 113 O LEU A 8 -14.610 7.108 3.249 1.00 0.00 O ATOM 114 CB LEU A 8 -15.371 8.757 5.412 1.00 0.00 C ATOM 115 CG LEU A 8 -15.283 9.927 6.394 1.00 0.00 C ATOM 116 CD1 LEU A 8 -15.771 9.478 7.771 1.00 0.00 C ATOM 117 CD2 LEU A 8 -13.828 10.399 6.494 1.00 0.00 C ATOM 0 H LEU A 8 -17.119 8.550 3.155 1.00 0.00 H new ATOM 0 HA LEU A 8 -14.803 10.261 3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -16.304 8.214 5.560 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -14.560 8.053 5.595 1.00 0.00 H new ATOM 0 HG LEU A 8 -15.908 10.747 6.040 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -15.708 10.312 8.469 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -16.806 9.143 7.699 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -15.148 8.658 8.128 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.763 11.233 7.193 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -13.203 9.579 6.848 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -13.482 10.721 5.512 1.00 0.00 H new ATOM 129 N SER A 9 -13.668 8.817 2.241 1.00 0.00 N ATOM 130 CA SER A 9 -12.855 7.918 1.374 1.00 0.00 C ATOM 131 C SER A 9 -11.770 8.737 0.671 1.00 0.00 C ATOM 132 O SER A 9 -10.674 8.893 1.172 1.00 0.00 O ATOM 133 CB SER A 9 -13.759 7.267 0.327 1.00 0.00 C ATOM 134 OG SER A 9 -14.760 8.194 -0.070 1.00 0.00 O ATOM 0 H SER A 9 -13.525 9.815 2.086 1.00 0.00 H new ATOM 0 HA SER A 9 -12.390 7.144 1.985 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.170 6.958 -0.537 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.221 6.369 0.736 1.00 0.00 H new ATOM 0 HG SER A 9 -15.341 7.780 -0.742 1.00 0.00 H new ATOM 140 N VAL A 10 -12.066 9.266 -0.484 1.00 0.00 N ATOM 141 CA VAL A 10 -11.050 10.076 -1.212 1.00 0.00 C ATOM 142 C VAL A 10 -10.290 10.950 -0.212 1.00 0.00 C ATOM 143 O VAL A 10 -9.169 11.354 -0.450 1.00 0.00 O ATOM 144 CB VAL A 10 -11.750 10.968 -2.237 1.00 0.00 C ATOM 145 CG1 VAL A 10 -12.844 10.166 -2.950 1.00 0.00 C ATOM 146 CG2 VAL A 10 -12.380 12.165 -1.522 1.00 0.00 C ATOM 0 H VAL A 10 -12.966 9.172 -0.954 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.352 9.413 -1.724 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.024 11.321 -2.969 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.343 10.802 -3.681 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.396 9.312 -3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.571 9.813 -2.219 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.880 12.803 -2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.107 11.811 -0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.603 12.736 -1.014 1.00 0.00 H new ATOM 156 N GLU A 11 -10.895 11.247 0.905 1.00 0.00 N ATOM 157 CA GLU A 11 -10.212 12.096 1.922 1.00 0.00 C ATOM 158 C GLU A 11 -9.091 11.295 2.589 1.00 0.00 C ATOM 159 O GLU A 11 -7.955 11.723 2.639 1.00 0.00 O ATOM 160 CB GLU A 11 -11.225 12.533 2.982 1.00 0.00 C ATOM 161 CG GLU A 11 -10.573 13.547 3.925 1.00 0.00 C ATOM 162 CD GLU A 11 -11.592 14.001 4.972 1.00 0.00 C ATOM 163 OE1 GLU A 11 -11.875 13.225 5.870 1.00 0.00 O ATOM 164 OE2 GLU A 11 -12.072 15.117 4.858 1.00 0.00 O ATOM 0 H GLU A 11 -11.834 10.938 1.158 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.789 12.975 1.436 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.099 12.975 2.504 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.573 11.668 3.546 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.708 13.100 4.414 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.211 14.405 3.359 1.00 0.00 H new ATOM 171 N GLU A 12 -9.402 10.138 3.105 1.00 0.00 N ATOM 172 CA GLU A 12 -8.353 9.314 3.770 1.00 0.00 C ATOM 173 C GLU A 12 -7.293 8.903 2.746 1.00 0.00 C ATOM 174 O GLU A 12 -6.125 9.198 2.896 1.00 0.00 O ATOM 175 CB GLU A 12 -8.992 8.058 4.372 1.00 0.00 C ATOM 176 CG GLU A 12 -10.516 8.170 4.300 1.00 0.00 C ATOM 177 CD GLU A 12 -11.149 6.948 4.968 1.00 0.00 C ATOM 178 OE1 GLU A 12 -11.133 6.888 6.186 1.00 0.00 O ATOM 179 OE2 GLU A 12 -11.639 6.092 4.249 1.00 0.00 O ATOM 0 H GLU A 12 -10.336 9.728 3.095 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.885 9.900 4.561 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.657 7.173 3.831 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.675 7.938 5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.848 9.082 4.796 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.838 8.237 3.261 1.00 0.00 H new ATOM 186 N LEU A 13 -7.692 8.219 1.708 1.00 0.00 N ATOM 187 CA LEU A 13 -6.707 7.784 0.678 1.00 0.00 C ATOM 188 C LEU A 13 -5.793 8.953 0.302 1.00 0.00 C ATOM 189 O LEU A 13 -4.589 8.811 0.220 1.00 0.00 O ATOM 190 CB LEU A 13 -7.454 7.303 -0.568 1.00 0.00 C ATOM 191 CG LEU A 13 -8.676 6.486 -0.145 1.00 0.00 C ATOM 192 CD1 LEU A 13 -9.231 5.731 -1.354 1.00 0.00 C ATOM 193 CD2 LEU A 13 -8.268 5.484 0.937 1.00 0.00 C ATOM 0 H LEU A 13 -8.657 7.943 1.529 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.102 6.972 1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.764 8.156 -1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.795 6.697 -1.189 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.442 7.155 0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.102 5.149 -1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.521 6.444 -2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.466 5.061 -1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.138 4.901 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.502 4.816 0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.873 6.021 1.800 1.00 0.00 H new ATOM 205 N ILE A 14 -6.355 10.107 0.068 1.00 0.00 N ATOM 206 CA ILE A 14 -5.516 11.281 -0.308 1.00 0.00 C ATOM 207 C ILE A 14 -4.477 11.546 0.784 1.00 0.00 C ATOM 208 O ILE A 14 -3.294 11.352 0.589 1.00 0.00 O ATOM 209 CB ILE A 14 -6.410 12.510 -0.476 1.00 0.00 C ATOM 210 CG1 ILE A 14 -7.148 12.420 -1.815 1.00 0.00 C ATOM 211 CG2 ILE A 14 -5.553 13.776 -0.450 1.00 0.00 C ATOM 212 CD1 ILE A 14 -8.300 13.428 -1.841 1.00 0.00 C ATOM 0 H ILE A 14 -7.357 10.288 0.121 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.002 11.073 -1.247 1.00 0.00 H new ATOM 0 HB ILE A 14 -7.133 12.548 0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.458 12.621 -2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.532 11.411 -1.962 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.192 14.651 -0.570 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.026 13.839 0.502 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.829 13.742 -1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.822 13.360 -2.796 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.995 13.207 -1.031 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.905 14.436 -1.715 1.00 0.00 H new ATOM 224 N GLU A 15 -4.908 11.992 1.933 1.00 0.00 N ATOM 225 CA GLU A 15 -3.942 12.274 3.035 1.00 0.00 C ATOM 226 C GLU A 15 -2.937 11.125 3.149 1.00 0.00 C ATOM 227 O GLU A 15 -1.757 11.338 3.343 1.00 0.00 O ATOM 228 CB GLU A 15 -4.703 12.416 4.356 1.00 0.00 C ATOM 229 CG GLU A 15 -5.395 13.781 4.406 1.00 0.00 C ATOM 230 CD GLU A 15 -6.903 13.585 4.575 1.00 0.00 C ATOM 231 OE1 GLU A 15 -7.319 13.262 5.675 1.00 0.00 O ATOM 232 OE2 GLU A 15 -7.615 13.761 3.600 1.00 0.00 O ATOM 0 H GLU A 15 -5.886 12.173 2.157 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.409 13.200 2.818 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.441 11.619 4.450 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.016 12.314 5.196 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.000 14.371 5.233 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.190 14.338 3.491 1.00 0.00 H new ATOM 239 N ILE A 16 -3.395 9.908 3.035 1.00 0.00 N ATOM 240 CA ILE A 16 -2.465 8.749 3.143 1.00 0.00 C ATOM 241 C ILE A 16 -1.410 8.825 2.035 1.00 0.00 C ATOM 242 O ILE A 16 -0.239 8.599 2.265 1.00 0.00 O ATOM 243 CB ILE A 16 -3.258 7.449 3.004 1.00 0.00 C ATOM 244 CG1 ILE A 16 -4.014 7.171 4.306 1.00 0.00 C ATOM 245 CG2 ILE A 16 -2.299 6.292 2.716 1.00 0.00 C ATOM 246 CD1 ILE A 16 -5.266 6.345 4.003 1.00 0.00 C ATOM 0 H ILE A 16 -4.373 9.667 2.872 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.968 8.774 4.113 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.968 7.544 2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.372 6.635 5.004 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.292 8.110 4.785 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.865 5.366 2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.760 6.488 1.789 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.588 6.196 3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.804 6.147 4.930 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.911 6.898 3.320 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.976 5.400 3.543 1.00 0.00 H new ATOM 258 N GLN A 17 -1.815 9.138 0.834 1.00 0.00 N ATOM 259 CA GLN A 17 -0.834 9.223 -0.284 1.00 0.00 C ATOM 260 C GLN A 17 0.016 10.487 -0.131 1.00 0.00 C ATOM 261 O GLN A 17 1.033 10.642 -0.779 1.00 0.00 O ATOM 262 CB GLN A 17 -1.585 9.274 -1.616 1.00 0.00 C ATOM 263 CG GLN A 17 -0.614 8.991 -2.763 1.00 0.00 C ATOM 264 CD GLN A 17 -0.359 7.486 -2.857 1.00 0.00 C ATOM 265 OE1 GLN A 17 0.705 7.015 -2.511 1.00 0.00 O ATOM 266 NE2 GLN A 17 -1.299 6.704 -3.315 1.00 0.00 N ATOM 0 H GLN A 17 -2.782 9.338 0.579 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.185 8.347 -0.262 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.391 8.540 -1.619 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.045 10.253 -1.749 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.027 9.360 -3.702 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.325 9.520 -2.598 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.194 7.098 -3.606 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.139 5.699 -3.382 1.00 0.00 H new ATOM 275 N LYS A 18 -0.389 11.391 0.717 1.00 0.00 N ATOM 276 CA LYS A 18 0.399 12.642 0.904 1.00 0.00 C ATOM 277 C LYS A 18 1.607 12.358 1.801 1.00 0.00 C ATOM 278 O LYS A 18 2.701 12.821 1.548 1.00 0.00 O ATOM 279 CB LYS A 18 -0.483 13.709 1.558 1.00 0.00 C ATOM 280 CG LYS A 18 -0.861 14.768 0.518 1.00 0.00 C ATOM 281 CD LYS A 18 -2.170 15.446 0.932 1.00 0.00 C ATOM 282 CE LYS A 18 -2.724 16.252 -0.244 1.00 0.00 C ATOM 283 NZ LYS A 18 -4.119 16.683 0.060 1.00 0.00 N ATOM 0 H LYS A 18 -1.231 11.318 1.288 1.00 0.00 H new ATOM 0 HA LYS A 18 0.744 13.000 -0.066 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.382 13.250 1.969 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.046 14.174 2.390 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.066 15.509 0.433 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.973 14.306 -0.463 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.896 14.696 1.246 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.998 16.101 1.786 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.095 17.123 -0.430 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.708 15.648 -1.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.664 16.742 -0.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.565 15.992 0.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.102 17.616 0.519 1.00 0.00 H new ATOM 297 N GLU A 19 1.418 11.600 2.847 1.00 0.00 N ATOM 298 CA GLU A 19 2.558 11.291 3.758 1.00 0.00 C ATOM 299 C GLU A 19 3.488 10.276 3.088 1.00 0.00 C ATOM 300 O GLU A 19 4.696 10.404 3.133 1.00 0.00 O ATOM 301 CB GLU A 19 2.021 10.703 5.066 1.00 0.00 C ATOM 302 CG GLU A 19 3.191 10.385 6.000 1.00 0.00 C ATOM 303 CD GLU A 19 2.776 10.648 7.450 1.00 0.00 C ATOM 304 OE1 GLU A 19 2.025 11.584 7.669 1.00 0.00 O ATOM 305 OE2 GLU A 19 3.217 9.909 8.315 1.00 0.00 O ATOM 0 H GLU A 19 0.526 11.182 3.110 1.00 0.00 H new ATOM 0 HA GLU A 19 3.111 12.206 3.970 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.342 11.410 5.543 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.448 9.798 4.862 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.493 9.344 5.880 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.054 10.999 5.741 1.00 0.00 H new ATOM 312 N GLU A 20 2.937 9.267 2.471 1.00 0.00 N ATOM 313 CA GLU A 20 3.790 8.243 1.803 1.00 0.00 C ATOM 314 C GLU A 20 4.626 8.908 0.707 1.00 0.00 C ATOM 315 O GLU A 20 5.831 8.756 0.653 1.00 0.00 O ATOM 316 CB GLU A 20 2.901 7.163 1.184 1.00 0.00 C ATOM 317 CG GLU A 20 3.766 6.181 0.392 1.00 0.00 C ATOM 318 CD GLU A 20 4.977 5.773 1.234 1.00 0.00 C ATOM 319 OE1 GLU A 20 4.800 5.546 2.420 1.00 0.00 O ATOM 320 OE2 GLU A 20 6.061 5.695 0.679 1.00 0.00 O ATOM 0 H GLU A 20 1.932 9.107 2.400 1.00 0.00 H new ATOM 0 HA GLU A 20 4.454 7.789 2.539 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.355 6.635 1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.158 7.619 0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.183 5.300 0.124 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.096 6.640 -0.540 1.00 0.00 H new ATOM 327 N THR A 21 3.996 9.640 -0.171 1.00 0.00 N ATOM 328 CA THR A 21 4.754 10.309 -1.266 1.00 0.00 C ATOM 329 C THR A 21 5.871 11.168 -0.670 1.00 0.00 C ATOM 330 O THR A 21 7.035 10.972 -0.953 1.00 0.00 O ATOM 331 CB THR A 21 3.805 11.198 -2.072 1.00 0.00 C ATOM 332 OG1 THR A 21 2.684 10.431 -2.492 1.00 0.00 O ATOM 333 CG2 THR A 21 4.537 11.751 -3.296 1.00 0.00 C ATOM 0 H THR A 21 2.989 9.804 -0.177 1.00 0.00 H new ATOM 0 HA THR A 21 5.189 9.552 -1.918 1.00 0.00 H new ATOM 0 HB THR A 21 3.466 12.027 -1.451 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.882 10.737 -2.019 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.860 12.384 -3.870 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.396 12.338 -2.972 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.877 10.925 -3.920 1.00 0.00 H new ATOM 341 N ARG A 22 5.525 12.123 0.151 1.00 0.00 N ATOM 342 CA ARG A 22 6.568 12.997 0.761 1.00 0.00 C ATOM 343 C ARG A 22 7.791 12.155 1.132 1.00 0.00 C ATOM 344 O ARG A 22 8.911 12.490 0.801 1.00 0.00 O ATOM 345 CB ARG A 22 6.006 13.663 2.019 1.00 0.00 C ATOM 346 CG ARG A 22 7.084 14.545 2.657 1.00 0.00 C ATOM 347 CD ARG A 22 6.617 16.003 2.666 1.00 0.00 C ATOM 348 NE ARG A 22 5.331 16.113 3.411 1.00 0.00 N ATOM 349 CZ ARG A 22 4.901 17.281 3.804 1.00 0.00 C ATOM 350 NH1 ARG A 22 5.601 18.354 3.549 1.00 0.00 N ATOM 351 NH2 ARG A 22 3.771 17.378 4.450 1.00 0.00 N ATOM 0 H ARG A 22 4.566 12.335 0.425 1.00 0.00 H new ATOM 0 HA ARG A 22 6.861 13.764 0.044 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.133 14.264 1.766 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.676 12.904 2.728 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.286 14.211 3.675 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.017 14.455 2.101 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.374 16.635 3.132 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.488 16.360 1.644 1.00 0.00 H new ATOM 0 HE ARG A 22 4.786 15.275 3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.483 18.279 3.043 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.265 19.267 3.856 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.223 16.541 4.648 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.436 18.291 4.757 1.00 0.00 H new ATOM 365 N ASP A 23 7.587 11.065 1.821 1.00 0.00 N ATOM 366 CA ASP A 23 8.738 10.204 2.217 1.00 0.00 C ATOM 367 C ASP A 23 9.541 9.811 0.974 1.00 0.00 C ATOM 368 O ASP A 23 10.755 9.833 0.977 1.00 0.00 O ATOM 369 CB ASP A 23 8.217 8.940 2.905 1.00 0.00 C ATOM 370 CG ASP A 23 9.229 8.475 3.954 1.00 0.00 C ATOM 371 OD1 ASP A 23 10.267 7.968 3.562 1.00 0.00 O ATOM 372 OD2 ASP A 23 8.948 8.632 5.131 1.00 0.00 O ATOM 0 H ASP A 23 6.672 10.733 2.127 1.00 0.00 H new ATOM 0 HA ASP A 23 9.380 10.756 2.903 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.255 9.140 3.376 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.054 8.153 2.168 1.00 0.00 H new ATOM 377 N ILE A 24 8.872 9.445 -0.085 1.00 0.00 N ATOM 378 CA ILE A 24 9.599 9.047 -1.324 1.00 0.00 C ATOM 379 C ILE A 24 10.357 10.249 -1.888 1.00 0.00 C ATOM 380 O ILE A 24 11.570 10.250 -1.964 1.00 0.00 O ATOM 381 CB ILE A 24 8.594 8.544 -2.363 1.00 0.00 C ATOM 382 CG1 ILE A 24 7.752 7.421 -1.751 1.00 0.00 C ATOM 383 CG2 ILE A 24 9.346 8.010 -3.584 1.00 0.00 C ATOM 384 CD1 ILE A 24 6.648 7.013 -2.730 1.00 0.00 C ATOM 0 H ILE A 24 7.855 9.404 -0.146 1.00 0.00 H new ATOM 0 HA ILE A 24 10.309 8.254 -1.087 1.00 0.00 H new ATOM 0 HB ILE A 24 7.943 9.364 -2.668 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.384 6.563 -1.522 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.313 7.754 -0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.630 7.652 -4.324 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.948 8.808 -4.018 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.996 7.189 -3.281 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.050 6.214 -2.292 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.009 7.872 -2.937 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.097 6.663 -3.659 1.00 0.00 H new ATOM 396 N ILE A 25 9.654 11.272 -2.289 1.00 0.00 N ATOM 397 CA ILE A 25 10.335 12.472 -2.853 1.00 0.00 C ATOM 398 C ILE A 25 11.569 12.808 -2.012 1.00 0.00 C ATOM 399 O ILE A 25 12.653 12.988 -2.529 1.00 0.00 O ATOM 400 CB ILE A 25 9.369 13.659 -2.839 1.00 0.00 C ATOM 401 CG1 ILE A 25 7.974 13.186 -3.255 1.00 0.00 C ATOM 402 CG2 ILE A 25 9.858 14.728 -3.818 1.00 0.00 C ATOM 403 CD1 ILE A 25 8.081 12.325 -4.515 1.00 0.00 C ATOM 0 H ILE A 25 8.636 11.329 -2.251 1.00 0.00 H new ATOM 0 HA ILE A 25 10.643 12.264 -3.878 1.00 0.00 H new ATOM 0 HB ILE A 25 9.326 14.080 -1.834 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.517 12.613 -2.448 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.328 14.044 -3.442 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.170 15.573 -3.808 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.851 15.065 -3.522 1.00 0.00 H new ATOM 0 HG23 ILE A 25 9.902 14.308 -4.823 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.087 11.988 -4.811 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.520 12.913 -5.321 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.712 11.460 -4.312 1.00 0.00 H new ATOM 415 N GLN A 26 11.414 12.894 -0.719 1.00 0.00 N ATOM 416 CA GLN A 26 12.580 13.220 0.149 1.00 0.00 C ATOM 417 C GLN A 26 13.682 12.180 -0.070 1.00 0.00 C ATOM 418 O GLN A 26 14.802 12.510 -0.409 1.00 0.00 O ATOM 419 CB GLN A 26 12.148 13.199 1.617 1.00 0.00 C ATOM 420 CG GLN A 26 11.145 14.326 1.871 1.00 0.00 C ATOM 421 CD GLN A 26 11.848 15.485 2.578 1.00 0.00 C ATOM 422 OE1 GLN A 26 12.670 15.272 3.447 1.00 0.00 O ATOM 423 NE2 GLN A 26 11.557 16.712 2.241 1.00 0.00 N ATOM 0 H GLN A 26 10.532 12.753 -0.227 1.00 0.00 H new ATOM 0 HA GLN A 26 12.955 14.211 -0.105 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.699 12.236 1.861 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.017 13.318 2.264 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.718 14.667 0.928 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.319 13.961 2.481 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.867 16.890 1.511 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.020 17.492 2.707 1.00 0.00 H new ATOM 432 N ALA A 27 13.373 10.927 0.122 1.00 0.00 N ATOM 433 CA ALA A 27 14.401 9.867 -0.075 1.00 0.00 C ATOM 434 C ALA A 27 15.151 10.115 -1.385 1.00 0.00 C ATOM 435 O ALA A 27 16.365 10.141 -1.420 1.00 0.00 O ATOM 436 CB ALA A 27 13.719 8.498 -0.129 1.00 0.00 C ATOM 0 H ALA A 27 12.453 10.592 0.407 1.00 0.00 H new ATOM 0 HA ALA A 27 15.107 9.890 0.755 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.471 7.722 -0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.188 8.319 0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.012 8.476 -0.958 1.00 0.00 H new ATOM 442 N LEU A 28 14.440 10.298 -2.464 1.00 0.00 N ATOM 443 CA LEU A 28 15.119 10.543 -3.766 1.00 0.00 C ATOM 444 C LEU A 28 16.118 11.690 -3.606 1.00 0.00 C ATOM 445 O LEU A 28 17.307 11.520 -3.788 1.00 0.00 O ATOM 446 CB LEU A 28 14.080 10.915 -4.826 1.00 0.00 C ATOM 447 CG LEU A 28 13.672 9.660 -5.598 1.00 0.00 C ATOM 448 CD1 LEU A 28 13.118 8.619 -4.624 1.00 0.00 C ATOM 449 CD2 LEU A 28 12.595 10.022 -6.623 1.00 0.00 C ATOM 0 H LEU A 28 13.421 10.288 -2.500 1.00 0.00 H new ATOM 0 HA LEU A 28 15.644 9.640 -4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.207 11.365 -4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.491 11.658 -5.509 1.00 0.00 H new ATOM 0 HG LEU A 28 14.542 9.250 -6.112 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.827 7.724 -5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.884 8.362 -3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.248 9.028 -4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.303 9.128 -7.175 1.00 0.00 H new ATOM 0 HD22 LEU A 28 11.726 10.431 -6.108 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.988 10.764 -7.317 1.00 0.00 H new ATOM 461 N LEU A 29 15.646 12.858 -3.263 1.00 0.00 N ATOM 462 CA LEU A 29 16.573 14.011 -3.089 1.00 0.00 C ATOM 463 C LEU A 29 17.815 13.547 -2.326 1.00 0.00 C ATOM 464 O LEU A 29 18.933 13.794 -2.731 1.00 0.00 O ATOM 465 CB LEU A 29 15.870 15.116 -2.300 1.00 0.00 C ATOM 466 CG LEU A 29 15.351 16.183 -3.266 1.00 0.00 C ATOM 467 CD1 LEU A 29 14.221 16.968 -2.599 1.00 0.00 C ATOM 468 CD2 LEU A 29 16.490 17.138 -3.627 1.00 0.00 C ATOM 0 H LEU A 29 14.661 13.063 -3.096 1.00 0.00 H new ATOM 0 HA LEU A 29 16.867 14.397 -4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.043 14.698 -1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.561 15.563 -1.585 1.00 0.00 H new ATOM 0 HG LEU A 29 14.976 15.704 -4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.851 17.728 -3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.410 16.288 -2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.596 17.448 -1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 29 16.122 17.899 -4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.864 17.617 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.297 16.579 -4.101 1.00 0.00 H new ATOM 480 N GLU A 30 17.627 12.870 -1.226 1.00 0.00 N ATOM 481 CA GLU A 30 18.797 12.386 -0.442 1.00 0.00 C ATOM 482 C GLU A 30 19.665 11.497 -1.334 1.00 0.00 C ATOM 483 O GLU A 30 20.850 11.346 -1.112 1.00 0.00 O ATOM 484 CB GLU A 30 18.306 11.579 0.763 1.00 0.00 C ATOM 485 CG GLU A 30 19.162 11.915 1.986 1.00 0.00 C ATOM 486 CD GLU A 30 19.219 10.704 2.918 1.00 0.00 C ATOM 487 OE1 GLU A 30 18.409 9.808 2.743 1.00 0.00 O ATOM 488 OE2 GLU A 30 20.072 10.693 3.790 1.00 0.00 O ATOM 0 H GLU A 30 16.715 12.632 -0.837 1.00 0.00 H new ATOM 0 HA GLU A 30 19.382 13.236 -0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.259 11.807 0.965 1.00 0.00 H new ATOM 0 HB3 GLU A 30 18.364 10.512 0.547 1.00 0.00 H new ATOM 0 HG2 GLU A 30 20.168 12.194 1.673 1.00 0.00 H new ATOM 0 HG3 GLU A 30 18.743 12.773 2.512 1.00 0.00 H new ATOM 495 N ASP A 31 19.084 10.911 -2.344 1.00 0.00 N ATOM 496 CA ASP A 31 19.874 10.038 -3.255 1.00 0.00 C ATOM 497 C ASP A 31 20.617 10.909 -4.268 1.00 0.00 C ATOM 498 O ASP A 31 21.513 10.458 -4.953 1.00 0.00 O ATOM 499 CB ASP A 31 18.931 9.084 -3.994 1.00 0.00 C ATOM 500 CG ASP A 31 18.005 8.398 -2.987 1.00 0.00 C ATOM 501 OD1 ASP A 31 18.366 8.344 -1.822 1.00 0.00 O ATOM 502 OD2 ASP A 31 16.953 7.937 -3.397 1.00 0.00 O ATOM 0 H ASP A 31 18.095 10.999 -2.578 1.00 0.00 H new ATOM 0 HA ASP A 31 20.592 9.458 -2.675 1.00 0.00 H new ATOM 0 HB2 ASP A 31 18.343 9.634 -4.729 1.00 0.00 H new ATOM 0 HB3 ASP A 31 19.507 8.338 -4.541 1.00 0.00 H new ATOM 507 N GLY A 32 20.252 12.159 -4.366 1.00 0.00 N ATOM 508 CA GLY A 32 20.937 13.065 -5.331 1.00 0.00 C ATOM 509 C GLY A 32 20.171 13.084 -6.654 1.00 0.00 C ATOM 510 O GLY A 32 20.661 13.560 -7.659 1.00 0.00 O ATOM 0 H GLY A 32 19.508 12.592 -3.819 1.00 0.00 H new ATOM 0 HA2 GLY A 32 20.996 14.073 -4.919 1.00 0.00 H new ATOM 0 HA3 GLY A 32 21.960 12.728 -5.497 1.00 0.00 H new ATOM 514 N SER A 33 18.971 12.570 -6.666 1.00 0.00 N ATOM 515 CA SER A 33 18.177 12.560 -7.927 1.00 0.00 C ATOM 516 C SER A 33 17.927 14.000 -8.382 1.00 0.00 C ATOM 517 O SER A 33 16.900 14.582 -8.091 1.00 0.00 O ATOM 518 CB SER A 33 16.840 11.863 -7.681 1.00 0.00 C ATOM 519 OG SER A 33 15.963 12.135 -8.767 1.00 0.00 O ATOM 0 H SER A 33 18.507 12.157 -5.857 1.00 0.00 H new ATOM 0 HA SER A 33 18.728 12.025 -8.700 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.990 10.788 -7.580 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.401 12.213 -6.747 1.00 0.00 H new ATOM 0 HG SER A 33 15.330 11.394 -8.870 1.00 0.00 H new ATOM 525 N ASP A 34 18.854 14.579 -9.093 1.00 0.00 N ATOM 526 CA ASP A 34 18.666 15.980 -9.562 1.00 0.00 C ATOM 527 C ASP A 34 17.294 16.112 -10.237 1.00 0.00 C ATOM 528 O ASP A 34 16.930 15.307 -11.072 1.00 0.00 O ATOM 529 CB ASP A 34 19.764 16.331 -10.568 1.00 0.00 C ATOM 530 CG ASP A 34 20.994 15.460 -10.306 1.00 0.00 C ATOM 531 OD1 ASP A 34 21.273 15.198 -9.147 1.00 0.00 O ATOM 532 OD2 ASP A 34 21.636 15.070 -11.267 1.00 0.00 O ATOM 0 H ASP A 34 19.734 14.143 -9.370 1.00 0.00 H new ATOM 0 HA ASP A 34 18.720 16.660 -8.712 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.404 16.174 -11.585 1.00 0.00 H new ATOM 0 HB3 ASP A 34 20.027 17.385 -10.482 1.00 0.00 H new ATOM 537 N PRO A 35 16.536 17.121 -9.883 1.00 0.00 N ATOM 538 CA PRO A 35 15.185 17.353 -10.470 1.00 0.00 C ATOM 539 C PRO A 35 15.263 17.827 -11.924 1.00 0.00 C ATOM 540 O PRO A 35 14.259 17.991 -12.588 1.00 0.00 O ATOM 541 CB PRO A 35 14.582 18.445 -9.585 1.00 0.00 C ATOM 542 CG PRO A 35 15.748 19.168 -9.000 1.00 0.00 C ATOM 543 CD PRO A 35 16.883 18.151 -8.890 1.00 0.00 C ATOM 0 HA PRO A 35 14.592 16.439 -10.494 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.953 19.119 -10.166 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.954 18.016 -8.804 1.00 0.00 H new ATOM 0 HG2 PRO A 35 16.040 20.007 -9.631 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.498 19.577 -8.021 1.00 0.00 H new ATOM 0 HD2 PRO A 35 17.849 18.606 -9.108 1.00 0.00 H new ATOM 0 HD3 PRO A 35 16.947 17.732 -7.886 1.00 0.00 H new ATOM 551 N ASP A 36 16.448 18.044 -12.422 1.00 0.00 N ATOM 552 CA ASP A 36 16.591 18.505 -13.830 1.00 0.00 C ATOM 553 C ASP A 36 16.554 17.296 -14.767 1.00 0.00 C ATOM 554 O ASP A 36 16.555 17.435 -15.975 1.00 0.00 O ATOM 555 CB ASP A 36 17.926 19.235 -13.997 1.00 0.00 C ATOM 556 CG ASP A 36 17.925 20.504 -13.143 1.00 0.00 C ATOM 557 OD1 ASP A 36 17.032 20.644 -12.324 1.00 0.00 O ATOM 558 OD2 ASP A 36 18.819 21.315 -13.322 1.00 0.00 O ATOM 0 H ASP A 36 17.324 17.922 -11.914 1.00 0.00 H new ATOM 0 HA ASP A 36 15.773 19.183 -14.074 1.00 0.00 H new ATOM 0 HB2 ASP A 36 18.748 18.584 -13.699 1.00 0.00 H new ATOM 0 HB3 ASP A 36 18.085 19.489 -15.045 1.00 0.00 H new ATOM 563 N ALA A 37 16.521 16.110 -14.223 1.00 0.00 N ATOM 564 CA ALA A 37 16.486 14.897 -15.088 1.00 0.00 C ATOM 565 C ALA A 37 15.033 14.493 -15.349 1.00 0.00 C ATOM 566 O ALA A 37 14.762 13.450 -15.909 1.00 0.00 O ATOM 567 CB ALA A 37 17.212 13.748 -14.385 1.00 0.00 C ATOM 0 H ALA A 37 16.517 15.929 -13.219 1.00 0.00 H new ATOM 0 HA ALA A 37 16.978 15.116 -16.036 1.00 0.00 H new ATOM 0 HB1 ALA A 37 17.187 12.861 -15.017 1.00 0.00 H new ATOM 0 HB2 ALA A 37 18.248 14.032 -14.199 1.00 0.00 H new ATOM 0 HB3 ALA A 37 16.719 13.532 -13.437 1.00 0.00 H new ATOM 573 N LEU A 38 14.096 15.307 -14.947 1.00 0.00 N ATOM 574 CA LEU A 38 12.664 14.961 -15.175 1.00 0.00 C ATOM 575 C LEU A 38 12.380 13.579 -14.582 1.00 0.00 C ATOM 576 O LEU A 38 13.275 12.776 -14.404 1.00 0.00 O ATOM 577 CB LEU A 38 12.379 14.942 -16.679 1.00 0.00 C ATOM 578 CG LEU A 38 11.013 15.576 -16.951 1.00 0.00 C ATOM 579 CD1 LEU A 38 11.184 17.076 -17.192 1.00 0.00 C ATOM 580 CD2 LEU A 38 10.392 14.929 -18.192 1.00 0.00 C ATOM 0 H LEU A 38 14.259 16.195 -14.472 1.00 0.00 H new ATOM 0 HA LEU A 38 12.025 15.702 -14.695 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.157 15.487 -17.214 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.396 13.917 -17.050 1.00 0.00 H new ATOM 0 HG LEU A 38 10.362 15.419 -16.091 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.211 17.527 -17.386 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.629 17.538 -16.310 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.835 17.234 -18.052 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.419 15.379 -18.388 1.00 0.00 H new ATOM 0 HD22 LEU A 38 11.045 15.088 -19.050 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.270 13.859 -18.022 1.00 0.00 H new ATOM 592 N TYR A 39 11.146 13.293 -14.269 1.00 0.00 N ATOM 593 CA TYR A 39 10.821 11.962 -13.685 1.00 0.00 C ATOM 594 C TYR A 39 9.561 11.397 -14.347 1.00 0.00 C ATOM 595 O TYR A 39 8.627 12.115 -14.642 1.00 0.00 O ATOM 596 CB TYR A 39 10.581 12.113 -12.180 1.00 0.00 C ATOM 597 CG TYR A 39 11.727 11.487 -11.420 1.00 0.00 C ATOM 598 CD1 TYR A 39 13.021 12.006 -11.553 1.00 0.00 C ATOM 599 CD2 TYR A 39 11.497 10.388 -10.584 1.00 0.00 C ATOM 600 CE1 TYR A 39 14.083 11.425 -10.849 1.00 0.00 C ATOM 601 CE2 TYR A 39 12.559 9.807 -9.882 1.00 0.00 C ATOM 602 CZ TYR A 39 13.852 10.326 -10.014 1.00 0.00 C ATOM 603 OH TYR A 39 14.899 9.754 -9.321 1.00 0.00 O ATOM 0 H TYR A 39 10.352 13.921 -14.392 1.00 0.00 H new ATOM 0 HA TYR A 39 11.654 11.280 -13.858 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.491 13.168 -11.920 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.642 11.635 -11.901 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.200 12.854 -12.198 1.00 0.00 H new ATOM 0 HD2 TYR A 39 10.499 9.988 -10.481 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.081 11.825 -10.951 1.00 0.00 H new ATOM 0 HE2 TYR A 39 12.381 8.958 -9.238 1.00 0.00 H new ATOM 0 HH TYR A 39 14.566 9.002 -8.787 1.00 0.00 H new ATOM 613 N GLU A 40 9.531 10.113 -14.580 1.00 0.00 N ATOM 614 CA GLU A 40 8.334 9.494 -15.217 1.00 0.00 C ATOM 615 C GLU A 40 7.454 8.865 -14.135 1.00 0.00 C ATOM 616 O GLU A 40 7.854 7.941 -13.455 1.00 0.00 O ATOM 617 CB GLU A 40 8.780 8.412 -16.203 1.00 0.00 C ATOM 618 CG GLU A 40 7.618 7.452 -16.467 1.00 0.00 C ATOM 619 CD GLU A 40 7.831 6.748 -17.808 1.00 0.00 C ATOM 620 OE1 GLU A 40 8.630 5.827 -17.851 1.00 0.00 O ATOM 621 OE2 GLU A 40 7.191 7.143 -18.770 1.00 0.00 O ATOM 0 H GLU A 40 10.286 9.465 -14.356 1.00 0.00 H new ATOM 0 HA GLU A 40 7.769 10.259 -15.750 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.108 8.869 -17.137 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.632 7.866 -15.799 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.551 6.717 -15.665 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.676 7.999 -16.477 1.00 0.00 H new ATOM 628 N ILE A 41 6.259 9.361 -13.968 1.00 0.00 N ATOM 629 CA ILE A 41 5.355 8.795 -12.928 1.00 0.00 C ATOM 630 C ILE A 41 4.363 7.833 -13.585 1.00 0.00 C ATOM 631 O ILE A 41 3.860 8.084 -14.661 1.00 0.00 O ATOM 632 CB ILE A 41 4.589 9.934 -12.254 1.00 0.00 C ATOM 633 CG1 ILE A 41 5.439 11.207 -12.284 1.00 0.00 C ATOM 634 CG2 ILE A 41 4.285 9.558 -10.804 1.00 0.00 C ATOM 635 CD1 ILE A 41 6.723 10.988 -11.482 1.00 0.00 C ATOM 0 H ILE A 41 5.869 10.134 -14.507 1.00 0.00 H new ATOM 0 HA ILE A 41 5.943 8.257 -12.184 1.00 0.00 H new ATOM 0 HB ILE A 41 3.654 10.108 -12.787 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.682 11.469 -13.314 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.876 12.042 -11.867 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.739 10.370 -10.324 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.680 8.652 -10.782 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.219 9.384 -10.270 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.326 11.896 -11.505 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.470 10.747 -10.450 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.289 10.165 -11.919 1.00 0.00 H new ATOM 647 N GLU A 42 4.076 6.733 -12.945 1.00 0.00 N ATOM 648 CA GLU A 42 3.113 5.761 -13.535 1.00 0.00 C ATOM 649 C GLU A 42 2.011 5.455 -12.518 1.00 0.00 C ATOM 650 O GLU A 42 2.246 5.427 -11.326 1.00 0.00 O ATOM 651 CB GLU A 42 3.847 4.469 -13.903 1.00 0.00 C ATOM 652 CG GLU A 42 3.903 3.543 -12.687 1.00 0.00 C ATOM 653 CD GLU A 42 5.104 2.604 -12.813 1.00 0.00 C ATOM 654 OE1 GLU A 42 5.102 1.792 -13.723 1.00 0.00 O ATOM 655 OE2 GLU A 42 6.005 2.714 -11.998 1.00 0.00 O ATOM 0 H GLU A 42 4.466 6.466 -12.041 1.00 0.00 H new ATOM 0 HA GLU A 42 2.669 6.190 -14.433 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.336 3.972 -14.728 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.856 4.698 -14.245 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.982 4.131 -11.773 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.982 2.964 -12.615 1.00 0.00 H new ATOM 662 N HIS A 43 0.810 5.225 -12.977 1.00 0.00 N ATOM 663 CA HIS A 43 -0.302 4.922 -12.032 1.00 0.00 C ATOM 664 C HIS A 43 -0.978 3.611 -12.438 1.00 0.00 C ATOM 665 O HIS A 43 -1.064 3.280 -13.604 1.00 0.00 O ATOM 666 CB HIS A 43 -1.329 6.057 -12.070 1.00 0.00 C ATOM 667 CG HIS A 43 -0.617 7.381 -12.057 1.00 0.00 C ATOM 668 ND1 HIS A 43 -0.896 8.361 -11.113 1.00 0.00 N ATOM 669 CD2 HIS A 43 0.362 7.906 -12.864 1.00 0.00 C ATOM 670 CE1 HIS A 43 -0.099 9.415 -11.374 1.00 0.00 C ATOM 671 NE2 HIS A 43 0.684 9.186 -12.429 1.00 0.00 N ATOM 0 H HIS A 43 0.552 5.234 -13.964 1.00 0.00 H new ATOM 0 HA HIS A 43 0.098 4.826 -11.023 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.946 5.973 -12.965 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.999 5.984 -11.213 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.812 7.402 -13.707 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.095 10.330 -10.801 1.00 0.00 H new ATOM 0 HE2 HIS A 43 1.375 9.818 -12.832 1.00 0.00 H new ATOM 679 N HIS A 44 -1.461 2.863 -11.484 1.00 0.00 N ATOM 680 CA HIS A 44 -2.133 1.574 -11.813 1.00 0.00 C ATOM 681 C HIS A 44 -3.616 1.668 -11.447 1.00 0.00 C ATOM 682 O HIS A 44 -3.971 1.989 -10.331 1.00 0.00 O ATOM 683 CB HIS A 44 -1.484 0.442 -11.015 1.00 0.00 C ATOM 684 CG HIS A 44 -0.112 0.161 -11.565 1.00 0.00 C ATOM 685 ND1 HIS A 44 1.042 0.393 -10.830 1.00 0.00 N ATOM 686 CD2 HIS A 44 0.307 -0.337 -12.775 1.00 0.00 C ATOM 687 CE1 HIS A 44 2.090 0.040 -11.597 1.00 0.00 C ATOM 688 NE2 HIS A 44 1.695 -0.410 -12.789 1.00 0.00 N ATOM 0 H HIS A 44 -1.419 3.089 -10.490 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.031 1.372 -12.879 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.416 0.718 -9.963 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.100 -0.455 -11.070 1.00 0.00 H new ATOM 0 HD1 HIS A 44 1.088 0.764 -9.881 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.341 -0.627 -13.589 1.00 0.00 H new ATOM 0 HE1 HIS A 44 3.122 0.112 -11.286 1.00 0.00 H new ATOM 696 N LEU A 45 -4.486 1.387 -12.379 1.00 0.00 N ATOM 697 CA LEU A 45 -5.944 1.460 -12.082 1.00 0.00 C ATOM 698 C LEU A 45 -6.635 0.209 -12.627 1.00 0.00 C ATOM 699 O LEU A 45 -6.370 -0.226 -13.731 1.00 0.00 O ATOM 700 CB LEU A 45 -6.538 2.705 -12.745 1.00 0.00 C ATOM 701 CG LEU A 45 -5.808 3.949 -12.236 1.00 0.00 C ATOM 702 CD1 LEU A 45 -4.703 4.329 -13.222 1.00 0.00 C ATOM 703 CD2 LEU A 45 -6.800 5.109 -12.113 1.00 0.00 C ATOM 0 H LEU A 45 -4.250 1.110 -13.332 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.095 1.518 -11.004 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.445 2.633 -13.829 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.602 2.777 -12.521 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.370 3.739 -11.260 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.182 5.215 -12.861 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.996 3.504 -13.312 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.142 4.539 -14.197 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.280 5.996 -11.750 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.237 5.319 -13.089 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.590 4.839 -11.412 1.00 0.00 H new ATOM 715 N PHE A 46 -7.519 -0.376 -11.864 1.00 0.00 N ATOM 716 CA PHE A 46 -8.218 -1.601 -12.345 1.00 0.00 C ATOM 717 C PHE A 46 -9.728 -1.362 -12.366 1.00 0.00 C ATOM 718 O PHE A 46 -10.229 -0.436 -11.760 1.00 0.00 O ATOM 719 CB PHE A 46 -7.897 -2.772 -11.413 1.00 0.00 C ATOM 720 CG PHE A 46 -6.956 -2.310 -10.326 1.00 0.00 C ATOM 721 CD1 PHE A 46 -5.625 -2.002 -10.635 1.00 0.00 C ATOM 722 CD2 PHE A 46 -7.413 -2.195 -9.008 1.00 0.00 C ATOM 723 CE1 PHE A 46 -4.753 -1.577 -9.627 1.00 0.00 C ATOM 724 CE2 PHE A 46 -6.541 -1.769 -8.000 1.00 0.00 C ATOM 725 CZ PHE A 46 -5.211 -1.460 -8.308 1.00 0.00 C ATOM 0 H PHE A 46 -7.786 -0.060 -10.932 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.879 -1.835 -13.354 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -8.815 -3.162 -10.972 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -7.444 -3.586 -11.978 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.272 -2.093 -11.652 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -8.439 -2.435 -8.769 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.727 -1.339 -9.865 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.894 -1.679 -6.983 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.538 -1.132 -7.530 1.00 0.00 H new ATOM 735 N ALA A 47 -10.455 -2.193 -13.061 1.00 0.00 N ATOM 736 CA ALA A 47 -11.934 -2.018 -13.124 1.00 0.00 C ATOM 737 C ALA A 47 -12.607 -3.391 -13.198 1.00 0.00 C ATOM 738 O ALA A 47 -11.953 -4.415 -13.199 1.00 0.00 O ATOM 739 CB ALA A 47 -12.297 -1.203 -14.366 1.00 0.00 C ATOM 0 H ALA A 47 -10.089 -2.986 -13.588 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.277 -1.493 -12.232 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.378 -1.074 -14.413 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.817 -0.226 -14.313 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.955 -1.727 -15.258 1.00 0.00 H new ATOM 745 N GLU A 48 -13.911 -3.420 -13.259 1.00 0.00 N ATOM 746 CA GLU A 48 -14.621 -4.728 -13.330 1.00 0.00 C ATOM 747 C GLU A 48 -15.488 -4.776 -14.590 1.00 0.00 C ATOM 748 O GLU A 48 -15.728 -5.828 -15.150 1.00 0.00 O ATOM 749 CB GLU A 48 -15.510 -4.895 -12.096 1.00 0.00 C ATOM 750 CG GLU A 48 -14.741 -4.456 -10.849 1.00 0.00 C ATOM 751 CD GLU A 48 -15.570 -4.769 -9.602 1.00 0.00 C ATOM 752 OE1 GLU A 48 -15.999 -5.904 -9.468 1.00 0.00 O ATOM 753 OE2 GLU A 48 -15.763 -3.869 -8.802 1.00 0.00 O ATOM 0 H GLU A 48 -14.513 -2.597 -13.263 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.888 -5.534 -13.364 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -16.417 -4.300 -12.205 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.821 -5.935 -11.997 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.782 -4.972 -10.800 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.527 -3.388 -10.898 1.00 0.00 H new ATOM 760 N ASP A 49 -15.964 -3.647 -15.040 1.00 0.00 N ATOM 761 CA ASP A 49 -16.818 -3.634 -16.262 1.00 0.00 C ATOM 762 C ASP A 49 -16.034 -3.034 -17.430 1.00 0.00 C ATOM 763 O ASP A 49 -15.893 -1.833 -17.545 1.00 0.00 O ATOM 764 CB ASP A 49 -18.072 -2.796 -15.997 1.00 0.00 C ATOM 765 CG ASP A 49 -19.313 -3.688 -16.080 1.00 0.00 C ATOM 766 OD1 ASP A 49 -19.250 -4.803 -15.588 1.00 0.00 O ATOM 767 OD2 ASP A 49 -20.304 -3.241 -16.633 1.00 0.00 O ATOM 0 H ASP A 49 -15.799 -2.734 -14.615 1.00 0.00 H new ATOM 0 HA ASP A 49 -17.110 -4.654 -16.513 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -18.010 -2.332 -15.012 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -18.143 -1.989 -16.726 1.00 0.00 H new ATOM 772 N PHE A 50 -15.524 -3.863 -18.299 1.00 0.00 N ATOM 773 CA PHE A 50 -14.749 -3.347 -19.462 1.00 0.00 C ATOM 774 C PHE A 50 -15.346 -2.018 -19.931 1.00 0.00 C ATOM 775 O PHE A 50 -14.636 -1.083 -20.241 1.00 0.00 O ATOM 776 CB PHE A 50 -14.811 -4.365 -20.602 1.00 0.00 C ATOM 777 CG PHE A 50 -14.860 -5.761 -20.026 1.00 0.00 C ATOM 778 CD1 PHE A 50 -16.083 -6.309 -19.623 1.00 0.00 C ATOM 779 CD2 PHE A 50 -13.682 -6.506 -19.897 1.00 0.00 C ATOM 780 CE1 PHE A 50 -16.128 -7.602 -19.089 1.00 0.00 C ATOM 781 CE2 PHE A 50 -13.727 -7.799 -19.363 1.00 0.00 C ATOM 782 CZ PHE A 50 -14.950 -8.348 -18.959 1.00 0.00 C ATOM 0 H PHE A 50 -15.611 -4.878 -18.253 1.00 0.00 H new ATOM 0 HA PHE A 50 -13.712 -3.190 -19.166 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -15.691 -4.183 -21.219 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -13.940 -4.257 -21.249 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -16.992 -5.734 -19.724 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.739 -6.083 -20.209 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -17.072 -8.025 -18.777 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -12.818 -8.373 -19.263 1.00 0.00 H new ATOM 0 HZ PHE A 50 -14.985 -9.346 -18.547 1.00 0.00 H new ATOM 792 N ASP A 51 -16.648 -1.925 -19.985 1.00 0.00 N ATOM 793 CA ASP A 51 -17.284 -0.653 -20.433 1.00 0.00 C ATOM 794 C ASP A 51 -16.725 0.510 -19.613 1.00 0.00 C ATOM 795 O ASP A 51 -15.906 1.275 -20.080 1.00 0.00 O ATOM 796 CB ASP A 51 -18.797 -0.742 -20.231 1.00 0.00 C ATOM 797 CG ASP A 51 -19.438 0.604 -20.574 1.00 0.00 C ATOM 798 OD1 ASP A 51 -19.733 0.819 -21.738 1.00 0.00 O ATOM 799 OD2 ASP A 51 -19.623 1.399 -19.666 1.00 0.00 O ATOM 0 H ASP A 51 -17.297 -2.673 -19.739 1.00 0.00 H new ATOM 0 HA ASP A 51 -17.069 -0.489 -21.489 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -19.213 -1.527 -20.863 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -19.022 -1.011 -19.199 1.00 0.00 H new ATOM 804 N LYS A 52 -17.161 0.650 -18.390 1.00 0.00 N ATOM 805 CA LYS A 52 -16.654 1.764 -17.540 1.00 0.00 C ATOM 806 C LYS A 52 -15.129 1.836 -17.654 1.00 0.00 C ATOM 807 O LYS A 52 -14.531 2.874 -17.455 1.00 0.00 O ATOM 808 CB LYS A 52 -17.044 1.507 -16.082 1.00 0.00 C ATOM 809 CG LYS A 52 -16.740 2.750 -15.242 1.00 0.00 C ATOM 810 CD LYS A 52 -18.047 3.329 -14.689 1.00 0.00 C ATOM 811 CE LYS A 52 -18.822 4.021 -15.813 1.00 0.00 C ATOM 812 NZ LYS A 52 -19.938 3.143 -16.260 1.00 0.00 N ATOM 0 H LYS A 52 -17.846 0.041 -17.943 1.00 0.00 H new ATOM 0 HA LYS A 52 -17.089 2.706 -17.874 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -18.104 1.262 -16.016 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.494 0.650 -15.694 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.069 2.492 -14.422 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -16.228 3.496 -15.850 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -18.652 2.534 -14.253 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -17.832 4.040 -13.891 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -19.214 4.976 -15.464 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -18.157 4.236 -16.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -20.744 3.730 -16.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -19.621 2.560 -17.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -20.229 2.525 -15.476 1.00 0.00 H new ATOM 826 N LEU A 53 -14.498 0.739 -17.972 1.00 0.00 N ATOM 827 CA LEU A 53 -13.013 0.741 -18.096 1.00 0.00 C ATOM 828 C LEU A 53 -12.599 1.609 -19.288 1.00 0.00 C ATOM 829 O LEU A 53 -11.827 2.537 -19.154 1.00 0.00 O ATOM 830 CB LEU A 53 -12.518 -0.691 -18.314 1.00 0.00 C ATOM 831 CG LEU A 53 -11.051 -0.798 -17.896 1.00 0.00 C ATOM 832 CD1 LEU A 53 -10.580 -2.246 -18.049 1.00 0.00 C ATOM 833 CD2 LEU A 53 -10.199 0.110 -18.788 1.00 0.00 C ATOM 0 H LEU A 53 -14.947 -0.159 -18.151 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.574 1.144 -17.183 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -13.123 -1.388 -17.734 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.629 -0.969 -19.362 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.947 -0.490 -16.856 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.534 -2.322 -17.751 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.186 -2.894 -17.416 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.684 -2.554 -19.089 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.153 0.034 -18.491 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.304 -0.199 -19.828 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.533 1.142 -18.681 1.00 0.00 H new ATOM 845 N GLU A 54 -13.106 1.313 -20.454 1.00 0.00 N ATOM 846 CA GLU A 54 -12.739 2.119 -21.651 1.00 0.00 C ATOM 847 C GLU A 54 -13.167 3.573 -21.444 1.00 0.00 C ATOM 848 O GLU A 54 -12.549 4.491 -21.945 1.00 0.00 O ATOM 849 CB GLU A 54 -13.446 1.552 -22.883 1.00 0.00 C ATOM 850 CG GLU A 54 -13.476 2.611 -23.987 1.00 0.00 C ATOM 851 CD GLU A 54 -13.725 1.935 -25.337 1.00 0.00 C ATOM 852 OE1 GLU A 54 -14.866 1.598 -25.606 1.00 0.00 O ATOM 853 OE2 GLU A 54 -12.771 1.766 -26.077 1.00 0.00 O ATOM 0 H GLU A 54 -13.758 0.548 -20.628 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.660 2.077 -21.797 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.928 0.660 -23.234 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -14.461 1.250 -22.626 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -14.260 3.341 -23.784 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.532 3.155 -24.009 1.00 0.00 H new ATOM 860 N LYS A 55 -14.224 3.792 -20.710 1.00 0.00 N ATOM 861 CA LYS A 55 -14.691 5.187 -20.474 1.00 0.00 C ATOM 862 C LYS A 55 -13.666 5.933 -19.618 1.00 0.00 C ATOM 863 O LYS A 55 -13.123 6.943 -20.022 1.00 0.00 O ATOM 864 CB LYS A 55 -16.035 5.157 -19.744 1.00 0.00 C ATOM 865 CG LYS A 55 -17.174 5.214 -20.765 1.00 0.00 C ATOM 866 CD LYS A 55 -17.288 6.630 -21.334 1.00 0.00 C ATOM 867 CE LYS A 55 -18.757 6.944 -21.626 1.00 0.00 C ATOM 868 NZ LYS A 55 -19.294 5.949 -22.597 1.00 0.00 N ATOM 0 H LYS A 55 -14.784 3.065 -20.264 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.805 5.697 -21.431 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.115 4.250 -19.145 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -16.106 6.000 -19.057 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -16.990 4.502 -21.570 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -18.113 4.925 -20.293 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -16.884 7.352 -20.625 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -16.698 6.716 -22.247 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -19.336 6.917 -20.703 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -18.851 7.951 -22.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -20.192 6.297 -22.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -18.610 5.812 -23.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -19.455 5.043 -22.112 1.00 0.00 H new ATOM 882 N ALA A 56 -13.398 5.447 -18.438 1.00 0.00 N ATOM 883 CA ALA A 56 -12.410 6.131 -17.555 1.00 0.00 C ATOM 884 C ALA A 56 -11.039 6.145 -18.233 1.00 0.00 C ATOM 885 O ALA A 56 -10.295 7.100 -18.129 1.00 0.00 O ATOM 886 CB ALA A 56 -12.315 5.382 -16.225 1.00 0.00 C ATOM 0 H ALA A 56 -13.820 4.605 -18.046 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.733 7.156 -17.374 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.593 5.880 -15.578 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.292 5.374 -15.741 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.992 4.357 -16.407 1.00 0.00 H new ATOM 892 N ALA A 57 -10.696 5.093 -18.924 1.00 0.00 N ATOM 893 CA ALA A 57 -9.370 5.047 -19.603 1.00 0.00 C ATOM 894 C ALA A 57 -9.302 6.140 -20.671 1.00 0.00 C ATOM 895 O ALA A 57 -8.349 6.889 -20.746 1.00 0.00 O ATOM 896 CB ALA A 57 -9.181 3.678 -20.261 1.00 0.00 C ATOM 0 H ALA A 57 -11.276 4.263 -19.048 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.581 5.210 -18.868 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.211 3.644 -20.758 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.226 2.899 -19.500 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.970 3.515 -20.995 1.00 0.00 H new ATOM 902 N VAL A 58 -10.304 6.235 -21.501 1.00 0.00 N ATOM 903 CA VAL A 58 -10.292 7.277 -22.565 1.00 0.00 C ATOM 904 C VAL A 58 -10.073 8.655 -21.934 1.00 0.00 C ATOM 905 O VAL A 58 -9.237 9.421 -22.368 1.00 0.00 O ATOM 906 CB VAL A 58 -11.628 7.265 -23.310 1.00 0.00 C ATOM 907 CG1 VAL A 58 -11.745 8.527 -24.164 1.00 0.00 C ATOM 908 CG2 VAL A 58 -11.696 6.031 -24.211 1.00 0.00 C ATOM 0 H VAL A 58 -11.130 5.636 -21.488 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.484 7.066 -23.265 1.00 0.00 H new ATOM 0 HB VAL A 58 -12.447 7.236 -22.591 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.697 8.520 -24.695 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.695 9.407 -23.522 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.927 8.556 -24.884 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.647 6.021 -24.743 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.878 6.061 -24.931 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -11.611 5.131 -23.602 1.00 0.00 H new ATOM 918 N GLU A 59 -10.821 8.977 -20.914 1.00 0.00 N ATOM 919 CA GLU A 59 -10.655 10.308 -20.262 1.00 0.00 C ATOM 920 C GLU A 59 -9.212 10.466 -19.776 1.00 0.00 C ATOM 921 O GLU A 59 -8.490 11.336 -20.221 1.00 0.00 O ATOM 922 CB GLU A 59 -11.607 10.414 -19.070 1.00 0.00 C ATOM 923 CG GLU A 59 -12.244 11.806 -19.048 1.00 0.00 C ATOM 924 CD GLU A 59 -13.442 11.835 -19.998 1.00 0.00 C ATOM 925 OE1 GLU A 59 -14.105 10.817 -20.117 1.00 0.00 O ATOM 926 OE2 GLU A 59 -13.678 12.875 -20.591 1.00 0.00 O ATOM 0 H GLU A 59 -11.538 8.378 -20.505 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.883 11.094 -20.982 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.381 9.649 -19.140 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.065 10.236 -18.141 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.563 12.055 -18.036 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.512 12.557 -19.346 1.00 0.00 H new ATOM 933 N ALA A 60 -8.789 9.633 -18.864 1.00 0.00 N ATOM 934 CA ALA A 60 -7.394 9.737 -18.345 1.00 0.00 C ATOM 935 C ALA A 60 -6.457 10.180 -19.471 1.00 0.00 C ATOM 936 O ALA A 60 -5.606 11.027 -19.286 1.00 0.00 O ATOM 937 CB ALA A 60 -6.944 8.375 -17.815 1.00 0.00 C ATOM 0 H ALA A 60 -9.349 8.885 -18.456 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.363 10.470 -17.539 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.925 8.451 -17.436 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.608 8.060 -17.010 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.978 7.642 -18.621 1.00 0.00 H new ATOM 943 N PHE A 61 -6.603 9.613 -20.638 1.00 0.00 N ATOM 944 CA PHE A 61 -5.718 10.001 -21.772 1.00 0.00 C ATOM 945 C PHE A 61 -6.032 11.437 -22.198 1.00 0.00 C ATOM 946 O PHE A 61 -5.174 12.296 -22.200 1.00 0.00 O ATOM 947 CB PHE A 61 -5.954 9.054 -22.951 1.00 0.00 C ATOM 948 CG PHE A 61 -5.563 9.742 -24.238 1.00 0.00 C ATOM 949 CD1 PHE A 61 -4.313 10.364 -24.349 1.00 0.00 C ATOM 950 CD2 PHE A 61 -6.450 9.755 -25.320 1.00 0.00 C ATOM 951 CE1 PHE A 61 -3.952 11.000 -25.542 1.00 0.00 C ATOM 952 CE2 PHE A 61 -6.088 10.391 -26.514 1.00 0.00 C ATOM 953 CZ PHE A 61 -4.839 11.013 -26.626 1.00 0.00 C ATOM 0 H PHE A 61 -7.297 8.898 -20.855 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.676 9.936 -21.458 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.370 8.143 -22.822 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.002 8.758 -22.989 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.628 10.353 -23.514 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.414 9.275 -25.234 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.989 11.481 -25.627 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.773 10.402 -27.349 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.560 11.502 -27.547 1.00 0.00 H new ATOM 963 N LYS A 62 -7.257 11.703 -22.562 1.00 0.00 N ATOM 964 CA LYS A 62 -7.624 13.081 -22.991 1.00 0.00 C ATOM 965 C LYS A 62 -7.146 14.089 -21.943 1.00 0.00 C ATOM 966 O LYS A 62 -6.989 15.261 -22.222 1.00 0.00 O ATOM 967 CB LYS A 62 -9.145 13.179 -23.140 1.00 0.00 C ATOM 968 CG LYS A 62 -9.616 12.198 -24.216 1.00 0.00 C ATOM 969 CD LYS A 62 -11.140 12.263 -24.333 1.00 0.00 C ATOM 970 CE LYS A 62 -11.525 13.231 -25.453 1.00 0.00 C ATOM 971 NZ LYS A 62 -12.945 13.646 -25.287 1.00 0.00 N ATOM 0 H LYS A 62 -8.019 11.025 -22.581 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.150 13.302 -23.947 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.630 12.954 -22.190 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.430 14.196 -23.410 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.156 12.443 -25.173 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.303 11.185 -23.962 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.542 11.271 -24.541 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.574 12.592 -23.389 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.875 14.106 -25.431 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.386 12.754 -26.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.206 14.304 -26.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.559 12.808 -25.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.064 14.117 -24.367 1.00 0.00 H new ATOM 985 N MET A 63 -6.912 13.646 -20.738 1.00 0.00 N ATOM 986 CA MET A 63 -6.443 14.584 -19.679 1.00 0.00 C ATOM 987 C MET A 63 -4.972 14.930 -19.920 1.00 0.00 C ATOM 988 O MET A 63 -4.598 16.085 -19.973 1.00 0.00 O ATOM 989 CB MET A 63 -6.589 13.921 -18.307 1.00 0.00 C ATOM 990 CG MET A 63 -6.748 15.000 -17.234 1.00 0.00 C ATOM 991 SD MET A 63 -8.485 15.100 -16.734 1.00 0.00 S ATOM 992 CE MET A 63 -8.503 13.630 -15.679 1.00 0.00 C ATOM 0 H MET A 63 -7.025 12.677 -20.441 1.00 0.00 H new ATOM 0 HA MET A 63 -7.043 15.494 -19.710 1.00 0.00 H new ATOM 0 HB2 MET A 63 -7.454 13.258 -18.302 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.715 13.306 -18.093 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.123 14.766 -16.372 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.413 15.963 -17.619 1.00 0.00 H new ATOM 0 HE1 MET A 63 -9.207 13.778 -14.861 1.00 0.00 H new ATOM 0 HE2 MET A 63 -8.807 12.764 -16.267 1.00 0.00 H new ATOM 0 HE3 MET A 63 -7.506 13.461 -15.273 1.00 0.00 H new ATOM 1002 N GLY A 64 -4.135 13.940 -20.068 1.00 0.00 N ATOM 1003 CA GLY A 64 -2.690 14.213 -20.306 1.00 0.00 C ATOM 1004 C GLY A 64 -1.854 13.059 -19.751 1.00 0.00 C ATOM 1005 O GLY A 64 -0.780 13.257 -19.221 1.00 0.00 O ATOM 0 H GLY A 64 -4.390 12.953 -20.034 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.502 14.331 -21.373 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.402 15.148 -19.826 1.00 0.00 H new ATOM 1009 N PHE A 65 -2.341 11.854 -19.869 1.00 0.00 N ATOM 1010 CA PHE A 65 -1.577 10.686 -19.346 1.00 0.00 C ATOM 1011 C PHE A 65 -1.355 9.672 -20.471 1.00 0.00 C ATOM 1012 O PHE A 65 -2.091 9.630 -21.436 1.00 0.00 O ATOM 1013 CB PHE A 65 -2.368 10.021 -18.217 1.00 0.00 C ATOM 1014 CG PHE A 65 -2.471 10.963 -17.042 1.00 0.00 C ATOM 1015 CD1 PHE A 65 -3.195 12.156 -17.159 1.00 0.00 C ATOM 1016 CD2 PHE A 65 -1.842 10.642 -15.833 1.00 0.00 C ATOM 1017 CE1 PHE A 65 -3.291 13.026 -16.066 1.00 0.00 C ATOM 1018 CE2 PHE A 65 -1.937 11.512 -14.741 1.00 0.00 C ATOM 1019 CZ PHE A 65 -2.662 12.705 -14.858 1.00 0.00 C ATOM 0 H PHE A 65 -3.235 11.628 -20.305 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.614 11.027 -18.967 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.364 9.752 -18.568 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.877 9.097 -17.912 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.679 12.405 -18.092 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.283 9.722 -15.743 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.851 13.945 -16.155 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.452 11.264 -13.809 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.735 13.377 -14.016 1.00 0.00 H new ATOM 1029 N GLU A 66 -0.349 8.849 -20.349 1.00 0.00 N ATOM 1030 CA GLU A 66 -0.085 7.833 -21.405 1.00 0.00 C ATOM 1031 C GLU A 66 -0.725 6.505 -20.996 1.00 0.00 C ATOM 1032 O GLU A 66 -0.047 5.556 -20.654 1.00 0.00 O ATOM 1033 CB GLU A 66 1.424 7.643 -21.567 1.00 0.00 C ATOM 1034 CG GLU A 66 2.002 8.802 -22.380 1.00 0.00 C ATOM 1035 CD GLU A 66 3.515 8.871 -22.165 1.00 0.00 C ATOM 1036 OE1 GLU A 66 4.010 8.119 -21.342 1.00 0.00 O ATOM 1037 OE2 GLU A 66 4.152 9.674 -22.825 1.00 0.00 O ATOM 0 H GLU A 66 0.301 8.837 -19.563 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.510 8.170 -22.351 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.902 7.598 -20.589 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.630 6.696 -22.067 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.780 8.664 -23.438 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.538 9.740 -22.077 1.00 0.00 H new ATOM 1044 N VAL A 67 -2.026 6.434 -21.021 1.00 0.00 N ATOM 1045 CA VAL A 67 -2.712 5.172 -20.627 1.00 0.00 C ATOM 1046 C VAL A 67 -2.003 3.977 -21.269 1.00 0.00 C ATOM 1047 O VAL A 67 -1.332 4.105 -22.274 1.00 0.00 O ATOM 1048 CB VAL A 67 -4.166 5.213 -21.099 1.00 0.00 C ATOM 1049 CG1 VAL A 67 -4.210 5.119 -22.625 1.00 0.00 C ATOM 1050 CG2 VAL A 67 -4.929 4.031 -20.495 1.00 0.00 C ATOM 0 H VAL A 67 -2.645 7.196 -21.298 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.682 5.070 -19.542 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.626 6.148 -20.779 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.246 5.148 -22.962 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.664 5.958 -23.057 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.751 4.184 -22.945 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.966 4.058 -20.830 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.468 3.097 -20.817 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.897 4.095 -19.407 1.00 0.00 H new ATOM 1060 N LEU A 68 -2.152 2.814 -20.694 1.00 0.00 N ATOM 1061 CA LEU A 68 -1.493 1.608 -21.265 1.00 0.00 C ATOM 1062 C LEU A 68 -2.467 0.430 -21.215 1.00 0.00 C ATOM 1063 O LEU A 68 -3.144 0.215 -20.228 1.00 0.00 O ATOM 1064 CB LEU A 68 -0.244 1.272 -20.448 1.00 0.00 C ATOM 1065 CG LEU A 68 0.928 1.009 -21.394 1.00 0.00 C ATOM 1066 CD1 LEU A 68 1.404 2.331 -22.000 1.00 0.00 C ATOM 1067 CD2 LEU A 68 2.078 0.365 -20.614 1.00 0.00 C ATOM 0 H LEU A 68 -2.703 2.649 -19.852 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.207 1.803 -22.298 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.004 2.095 -19.775 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.428 0.395 -19.827 1.00 0.00 H new ATOM 0 HG LEU A 68 0.606 0.339 -22.191 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.239 2.142 -22.674 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.587 2.792 -22.555 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.725 3.002 -21.203 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.914 0.177 -21.288 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.398 1.036 -19.817 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.742 -0.577 -20.182 1.00 0.00 H new ATOM 1079 N GLU A 69 -2.549 -0.333 -22.268 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.484 -1.491 -22.279 1.00 0.00 C ATOM 1081 C GLU A 69 -3.376 -2.251 -20.955 1.00 0.00 C ATOM 1082 O GLU A 69 -2.425 -2.099 -20.214 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.127 -2.428 -23.436 1.00 0.00 C ATOM 1084 CG GLU A 69 -4.058 -2.154 -24.620 1.00 0.00 C ATOM 1085 CD GLU A 69 -3.906 -3.268 -25.658 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -2.818 -3.411 -26.190 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -4.881 -3.958 -25.904 1.00 0.00 O ATOM 0 H GLU A 69 -2.008 -0.204 -23.123 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.504 -1.129 -22.407 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.089 -2.277 -23.733 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.220 -3.467 -23.119 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.092 -2.099 -24.278 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.819 -1.190 -25.068 1.00 0.00 H new ATOM 1094 N ALA A 70 -4.348 -3.068 -20.651 1.00 0.00 N ATOM 1095 CA ALA A 70 -4.307 -3.839 -19.378 1.00 0.00 C ATOM 1096 C ALA A 70 -4.074 -5.320 -19.686 1.00 0.00 C ATOM 1097 O ALA A 70 -3.951 -5.713 -20.829 1.00 0.00 O ATOM 1098 CB ALA A 70 -5.638 -3.672 -18.641 1.00 0.00 C ATOM 0 H ALA A 70 -5.170 -3.234 -21.232 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.496 -3.468 -18.752 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.611 -4.236 -17.708 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.803 -2.617 -18.423 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.449 -4.044 -19.266 1.00 0.00 H new ATOM 1104 N GLU A 71 -4.012 -6.145 -18.677 1.00 0.00 N ATOM 1105 CA GLU A 71 -3.786 -7.598 -18.917 1.00 0.00 C ATOM 1106 C GLU A 71 -4.748 -8.415 -18.050 1.00 0.00 C ATOM 1107 O GLU A 71 -5.641 -7.881 -17.424 1.00 0.00 O ATOM 1108 CB GLU A 71 -2.343 -7.956 -18.556 1.00 0.00 C ATOM 1109 CG GLU A 71 -2.010 -7.400 -17.169 1.00 0.00 C ATOM 1110 CD GLU A 71 -1.594 -5.933 -17.292 1.00 0.00 C ATOM 1111 OE1 GLU A 71 -0.676 -5.659 -18.047 1.00 0.00 O ATOM 1112 OE2 GLU A 71 -2.201 -5.109 -16.628 1.00 0.00 O ATOM 0 H GLU A 71 -4.108 -5.876 -17.698 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.964 -7.825 -19.968 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.212 -9.038 -18.567 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.659 -7.545 -19.298 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.876 -7.489 -16.513 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.206 -7.980 -16.717 1.00 0.00 H new ATOM 1119 N GLU A 72 -4.572 -9.708 -18.010 1.00 0.00 N ATOM 1120 CA GLU A 72 -5.476 -10.558 -17.184 1.00 0.00 C ATOM 1121 C GLU A 72 -4.746 -10.990 -15.911 1.00 0.00 C ATOM 1122 O GLU A 72 -3.919 -11.881 -15.930 1.00 0.00 O ATOM 1123 CB GLU A 72 -5.883 -11.798 -17.983 1.00 0.00 C ATOM 1124 CG GLU A 72 -6.415 -11.371 -19.353 1.00 0.00 C ATOM 1125 CD GLU A 72 -6.991 -12.589 -20.078 1.00 0.00 C ATOM 1126 OE1 GLU A 72 -6.237 -13.252 -20.772 1.00 0.00 O ATOM 1127 OE2 GLU A 72 -8.176 -12.839 -19.926 1.00 0.00 O ATOM 0 H GLU A 72 -3.842 -10.212 -18.513 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.367 -9.989 -16.918 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.027 -12.462 -18.104 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.647 -12.357 -17.443 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.184 -10.607 -19.235 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.614 -10.928 -19.944 1.00 0.00 H new ATOM 1134 N THR A 73 -5.042 -10.364 -14.804 1.00 0.00 N ATOM 1135 CA THR A 73 -4.361 -10.739 -13.531 1.00 0.00 C ATOM 1136 C THR A 73 -5.406 -11.126 -12.483 1.00 0.00 C ATOM 1137 O THR A 73 -6.499 -11.550 -12.806 1.00 0.00 O ATOM 1138 CB THR A 73 -3.547 -9.548 -13.019 1.00 0.00 C ATOM 1139 OG1 THR A 73 -2.911 -9.903 -11.799 1.00 0.00 O ATOM 1140 CG2 THR A 73 -4.477 -8.357 -12.786 1.00 0.00 C ATOM 0 H THR A 73 -5.725 -9.610 -14.726 1.00 0.00 H new ATOM 0 HA THR A 73 -3.698 -11.585 -13.712 1.00 0.00 H new ATOM 0 HB THR A 73 -2.792 -9.277 -13.757 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.099 -9.220 -11.122 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.898 -7.509 -12.421 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.965 -8.087 -13.723 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.233 -8.624 -12.047 1.00 0.00 H new ATOM 1148 N GLU A 74 -5.079 -10.984 -11.227 1.00 0.00 N ATOM 1149 CA GLU A 74 -6.050 -11.343 -10.155 1.00 0.00 C ATOM 1150 C GLU A 74 -5.756 -10.509 -8.904 1.00 0.00 C ATOM 1151 O GLU A 74 -4.619 -10.359 -8.501 1.00 0.00 O ATOM 1152 CB GLU A 74 -5.910 -12.829 -9.820 1.00 0.00 C ATOM 1153 CG GLU A 74 -7.296 -13.470 -9.746 1.00 0.00 C ATOM 1154 CD GLU A 74 -7.153 -14.959 -9.424 1.00 0.00 C ATOM 1155 OE1 GLU A 74 -6.490 -15.274 -8.450 1.00 0.00 O ATOM 1156 OE2 GLU A 74 -7.711 -15.760 -10.157 1.00 0.00 O ATOM 0 H GLU A 74 -4.180 -10.634 -10.897 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.065 -11.141 -10.498 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.307 -13.328 -10.579 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -5.391 -12.951 -8.869 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.896 -12.977 -8.981 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.819 -13.341 -10.693 1.00 0.00 H new ATOM 1163 N ASP A 75 -6.770 -9.966 -8.287 1.00 0.00 N ATOM 1164 CA ASP A 75 -6.544 -9.143 -7.064 1.00 0.00 C ATOM 1165 C ASP A 75 -6.325 -10.064 -5.861 1.00 0.00 C ATOM 1166 O ASP A 75 -6.476 -11.265 -5.952 1.00 0.00 O ATOM 1167 CB ASP A 75 -7.765 -8.256 -6.811 1.00 0.00 C ATOM 1168 CG ASP A 75 -7.324 -6.968 -6.115 1.00 0.00 C ATOM 1169 OD1 ASP A 75 -6.420 -6.324 -6.621 1.00 0.00 O ATOM 1170 OD2 ASP A 75 -7.897 -6.648 -5.087 1.00 0.00 O ATOM 0 H ASP A 75 -7.744 -10.056 -8.576 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.664 -8.517 -7.207 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -8.259 -8.022 -7.754 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.491 -8.785 -6.194 1.00 0.00 H new ATOM 1175 N GLU A 76 -5.968 -9.510 -4.734 1.00 0.00 N ATOM 1176 CA GLU A 76 -5.738 -10.355 -3.528 1.00 0.00 C ATOM 1177 C GLU A 76 -7.055 -11.018 -3.112 1.00 0.00 C ATOM 1178 O GLU A 76 -7.129 -11.693 -2.105 1.00 0.00 O ATOM 1179 CB GLU A 76 -5.226 -9.480 -2.378 1.00 0.00 C ATOM 1180 CG GLU A 76 -3.715 -9.670 -2.205 1.00 0.00 C ATOM 1181 CD GLU A 76 -2.972 -8.875 -3.280 1.00 0.00 C ATOM 1182 OE1 GLU A 76 -3.633 -8.233 -4.078 1.00 0.00 O ATOM 1183 OE2 GLU A 76 -1.753 -8.919 -3.284 1.00 0.00 O ATOM 0 H GLU A 76 -5.826 -8.509 -4.597 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.998 -11.122 -3.759 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.448 -8.432 -2.581 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.742 -9.742 -1.454 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.407 -9.337 -1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.460 -10.727 -2.279 1.00 0.00 H new ATOM 1190 N ASP A 77 -8.094 -10.830 -3.880 1.00 0.00 N ATOM 1191 CA ASP A 77 -9.403 -11.449 -3.524 1.00 0.00 C ATOM 1192 C ASP A 77 -9.577 -12.759 -4.295 1.00 0.00 C ATOM 1193 O ASP A 77 -10.258 -13.664 -3.855 1.00 0.00 O ATOM 1194 CB ASP A 77 -10.537 -10.489 -3.891 1.00 0.00 C ATOM 1195 CG ASP A 77 -11.884 -11.188 -3.692 1.00 0.00 C ATOM 1196 OD1 ASP A 77 -12.105 -11.707 -2.610 1.00 0.00 O ATOM 1197 OD2 ASP A 77 -12.669 -11.193 -4.624 1.00 0.00 O ATOM 0 H ASP A 77 -8.093 -10.276 -4.736 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.428 -11.652 -2.453 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.485 -9.594 -3.271 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.433 -10.166 -4.927 1.00 0.00 H new ATOM 1202 N GLY A 78 -8.969 -12.869 -5.444 1.00 0.00 N ATOM 1203 CA GLY A 78 -9.103 -14.121 -6.242 1.00 0.00 C ATOM 1204 C GLY A 78 -10.167 -13.926 -7.324 1.00 0.00 C ATOM 1205 O GLY A 78 -11.012 -14.772 -7.537 1.00 0.00 O ATOM 0 H GLY A 78 -8.385 -12.146 -5.865 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.147 -14.377 -6.699 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.378 -14.951 -5.592 1.00 0.00 H new ATOM 1209 N ASN A 79 -10.133 -12.815 -8.009 1.00 0.00 N ATOM 1210 CA ASN A 79 -11.143 -12.566 -9.075 1.00 0.00 C ATOM 1211 C ASN A 79 -10.447 -12.035 -10.330 1.00 0.00 C ATOM 1212 O ASN A 79 -9.668 -11.103 -10.273 1.00 0.00 O ATOM 1213 CB ASN A 79 -12.159 -11.535 -8.581 1.00 0.00 C ATOM 1214 CG ASN A 79 -13.504 -11.770 -9.274 1.00 0.00 C ATOM 1215 OD1 ASN A 79 -13.645 -12.691 -10.054 1.00 0.00 O ATOM 1216 ND2 ASN A 79 -14.503 -10.970 -9.022 1.00 0.00 N ATOM 0 H ASN A 79 -9.449 -12.070 -7.876 1.00 0.00 H new ATOM 0 HA ASN A 79 -11.655 -13.498 -9.314 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -12.276 -11.613 -7.500 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.801 -10.527 -8.791 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -15.403 -11.118 -9.480 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -14.385 -10.197 -8.367 1.00 0.00 H new ATOM 1223 N LYS A 80 -10.723 -12.619 -11.464 1.00 0.00 N ATOM 1224 CA LYS A 80 -10.081 -12.149 -12.724 1.00 0.00 C ATOM 1225 C LYS A 80 -10.616 -10.758 -13.078 1.00 0.00 C ATOM 1226 O LYS A 80 -11.799 -10.493 -12.977 1.00 0.00 O ATOM 1227 CB LYS A 80 -10.403 -13.138 -13.851 1.00 0.00 C ATOM 1228 CG LYS A 80 -10.500 -12.397 -15.187 1.00 0.00 C ATOM 1229 CD LYS A 80 -10.618 -13.414 -16.325 1.00 0.00 C ATOM 1230 CE LYS A 80 -11.291 -12.758 -17.533 1.00 0.00 C ATOM 1231 NZ LYS A 80 -10.310 -11.878 -18.230 1.00 0.00 N ATOM 0 H LYS A 80 -11.367 -13.403 -11.572 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.000 -12.092 -12.593 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.629 -13.904 -13.906 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.343 -13.649 -13.640 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.365 -11.734 -15.186 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.619 -11.772 -15.333 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.630 -13.781 -16.602 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.198 -14.276 -15.997 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.660 -13.522 -18.217 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.154 -12.175 -17.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.814 -11.245 -18.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.792 -11.311 -17.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.638 -12.463 -18.766 1.00 0.00 H new ATOM 1245 N LEU A 81 -9.755 -9.865 -13.489 1.00 0.00 N ATOM 1246 CA LEU A 81 -10.217 -8.493 -13.846 1.00 0.00 C ATOM 1247 C LEU A 81 -9.237 -7.864 -14.840 1.00 0.00 C ATOM 1248 O LEU A 81 -8.437 -8.544 -15.452 1.00 0.00 O ATOM 1249 CB LEU A 81 -10.282 -7.633 -12.582 1.00 0.00 C ATOM 1250 CG LEU A 81 -9.247 -8.131 -11.573 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -7.855 -8.087 -12.207 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -9.272 -7.234 -10.332 1.00 0.00 C ATOM 0 H LEU A 81 -8.753 -10.027 -13.593 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.206 -8.550 -14.300 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.091 -6.589 -12.830 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.281 -7.680 -12.148 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.483 -9.156 -11.285 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.116 -8.442 -11.488 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.837 -8.725 -13.091 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.618 -7.063 -12.495 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.534 -7.588 -9.612 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.036 -6.209 -10.619 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.264 -7.265 -9.881 1.00 0.00 H new ATOM 1264 N LEU A 82 -9.295 -6.571 -15.008 1.00 0.00 N ATOM 1265 CA LEU A 82 -8.369 -5.901 -15.965 1.00 0.00 C ATOM 1266 C LEU A 82 -7.628 -4.763 -15.257 1.00 0.00 C ATOM 1267 O LEU A 82 -8.182 -4.073 -14.422 1.00 0.00 O ATOM 1268 CB LEU A 82 -9.172 -5.333 -17.138 1.00 0.00 C ATOM 1269 CG LEU A 82 -9.953 -6.462 -17.812 1.00 0.00 C ATOM 1270 CD1 LEU A 82 -11.435 -6.343 -17.452 1.00 0.00 C ATOM 1271 CD2 LEU A 82 -9.790 -6.357 -19.330 1.00 0.00 C ATOM 0 H LEU A 82 -9.943 -5.950 -14.524 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.645 -6.628 -16.335 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.857 -4.562 -16.785 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.503 -4.860 -17.856 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.571 -7.423 -17.469 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.992 -7.148 -17.932 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.554 -6.415 -16.371 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.817 -5.382 -17.796 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.346 -7.161 -19.812 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.173 -5.395 -19.671 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.734 -6.440 -19.589 1.00 0.00 H new ATOM 1283 N CYS A 83 -6.379 -4.564 -15.585 1.00 0.00 N ATOM 1284 CA CYS A 83 -5.600 -3.473 -14.933 1.00 0.00 C ATOM 1285 C CYS A 83 -4.801 -2.707 -15.991 1.00 0.00 C ATOM 1286 O CYS A 83 -3.847 -3.212 -16.548 1.00 0.00 O ATOM 1287 CB CYS A 83 -4.636 -4.077 -13.908 1.00 0.00 C ATOM 1288 SG CYS A 83 -5.495 -5.350 -12.951 1.00 0.00 S ATOM 0 H CYS A 83 -5.865 -5.110 -16.276 1.00 0.00 H new ATOM 0 HA CYS A 83 -6.286 -2.790 -14.432 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -3.773 -4.508 -14.415 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.260 -3.299 -13.244 1.00 0.00 H new ATOM 0 HG CYS A 83 -4.855 -5.563 -11.840 1.00 0.00 H new ATOM 1294 N PHE A 84 -5.180 -1.488 -16.267 1.00 0.00 N ATOM 1295 CA PHE A 84 -4.435 -0.690 -17.283 1.00 0.00 C ATOM 1296 C PHE A 84 -3.436 0.224 -16.572 1.00 0.00 C ATOM 1297 O PHE A 84 -3.615 0.581 -15.425 1.00 0.00 O ATOM 1298 CB PHE A 84 -5.417 0.156 -18.101 1.00 0.00 C ATOM 1299 CG PHE A 84 -6.445 0.776 -17.184 1.00 0.00 C ATOM 1300 CD1 PHE A 84 -7.394 -0.031 -16.547 1.00 0.00 C ATOM 1301 CD2 PHE A 84 -6.451 2.161 -16.976 1.00 0.00 C ATOM 1302 CE1 PHE A 84 -8.350 0.546 -15.701 1.00 0.00 C ATOM 1303 CE2 PHE A 84 -7.406 2.738 -16.129 1.00 0.00 C ATOM 1304 CZ PHE A 84 -8.355 1.930 -15.492 1.00 0.00 C ATOM 0 H PHE A 84 -5.971 -1.011 -15.834 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.901 -1.363 -17.954 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.879 0.936 -18.639 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.911 -0.465 -18.849 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -7.390 -1.099 -16.708 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.719 2.784 -17.469 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -9.083 -0.077 -15.210 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.410 3.806 -15.968 1.00 0.00 H new ATOM 0 HZ PHE A 84 -9.091 2.375 -14.839 1.00 0.00 H new ATOM 1314 N ASP A 85 -2.380 0.602 -17.241 1.00 0.00 N ATOM 1315 CA ASP A 85 -1.371 1.486 -16.594 1.00 0.00 C ATOM 1316 C ASP A 85 -1.303 2.824 -17.336 1.00 0.00 C ATOM 1317 O ASP A 85 -1.696 2.933 -18.479 1.00 0.00 O ATOM 1318 CB ASP A 85 0.000 0.808 -16.637 1.00 0.00 C ATOM 1319 CG ASP A 85 1.066 1.775 -16.118 1.00 0.00 C ATOM 1320 OD1 ASP A 85 1.611 2.512 -16.924 1.00 0.00 O ATOM 1321 OD2 ASP A 85 1.318 1.763 -14.924 1.00 0.00 O ATOM 0 H ASP A 85 -2.174 0.337 -18.204 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.659 1.664 -15.558 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.011 -0.097 -16.030 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.235 0.505 -17.657 1.00 0.00 H new ATOM 1326 N ALA A 86 -0.803 3.841 -16.690 1.00 0.00 N ATOM 1327 CA ALA A 86 -0.704 5.173 -17.351 1.00 0.00 C ATOM 1328 C ALA A 86 0.650 5.802 -17.013 1.00 0.00 C ATOM 1329 O ALA A 86 1.151 5.660 -15.917 1.00 0.00 O ATOM 1330 CB ALA A 86 -1.827 6.080 -16.844 1.00 0.00 C ATOM 0 H ALA A 86 -0.458 3.807 -15.731 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.795 5.054 -18.431 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.754 7.054 -17.328 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.792 5.630 -17.078 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.736 6.203 -15.765 1.00 0.00 H new ATOM 1336 N THR A 87 1.248 6.492 -17.945 1.00 0.00 N ATOM 1337 CA THR A 87 2.571 7.122 -17.668 1.00 0.00 C ATOM 1338 C THR A 87 2.453 8.644 -17.784 1.00 0.00 C ATOM 1339 O THR A 87 1.627 9.160 -18.509 1.00 0.00 O ATOM 1340 CB THR A 87 3.600 6.610 -18.679 1.00 0.00 C ATOM 1341 OG1 THR A 87 2.935 5.879 -19.699 1.00 0.00 O ATOM 1342 CG2 THR A 87 4.608 5.704 -17.971 1.00 0.00 C ATOM 0 H THR A 87 0.880 6.647 -18.884 1.00 0.00 H new ATOM 0 HA THR A 87 2.891 6.862 -16.659 1.00 0.00 H new ATOM 0 HB THR A 87 4.126 7.455 -19.122 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.592 5.552 -20.348 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.340 5.340 -18.692 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.118 6.268 -17.190 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.086 4.857 -17.526 1.00 0.00 H new ATOM 1350 N MET A 88 3.277 9.363 -17.071 1.00 0.00 N ATOM 1351 CA MET A 88 3.221 10.851 -17.132 1.00 0.00 C ATOM 1352 C MET A 88 4.625 11.416 -16.903 1.00 0.00 C ATOM 1353 O MET A 88 5.371 10.929 -16.080 1.00 0.00 O ATOM 1354 CB MET A 88 2.278 11.370 -16.042 1.00 0.00 C ATOM 1355 CG MET A 88 1.938 12.838 -16.309 1.00 0.00 C ATOM 1356 SD MET A 88 0.257 13.177 -15.728 1.00 0.00 S ATOM 1357 CE MET A 88 0.076 14.806 -16.497 1.00 0.00 C ATOM 0 H MET A 88 3.989 8.982 -16.447 1.00 0.00 H new ATOM 0 HA MET A 88 2.854 11.166 -18.109 1.00 0.00 H new ATOM 0 HB2 MET A 88 1.366 10.773 -16.023 1.00 0.00 H new ATOM 0 HB3 MET A 88 2.747 11.268 -15.063 1.00 0.00 H new ATOM 0 HG2 MET A 88 2.650 13.487 -15.798 1.00 0.00 H new ATOM 0 HG3 MET A 88 2.018 13.054 -17.374 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.975 15.094 -16.496 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.654 15.540 -15.935 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.441 14.766 -17.523 1.00 0.00 H new ATOM 1367 N GLN A 89 4.994 12.438 -17.626 1.00 0.00 N ATOM 1368 CA GLN A 89 6.353 13.023 -17.443 1.00 0.00 C ATOM 1369 C GLN A 89 6.238 14.375 -16.739 1.00 0.00 C ATOM 1370 O GLN A 89 5.666 15.312 -17.258 1.00 0.00 O ATOM 1371 CB GLN A 89 7.014 13.212 -18.810 1.00 0.00 C ATOM 1372 CG GLN A 89 5.958 13.093 -19.910 1.00 0.00 C ATOM 1373 CD GLN A 89 5.457 11.649 -19.983 1.00 0.00 C ATOM 1374 OE1 GLN A 89 4.473 11.369 -20.639 1.00 0.00 O ATOM 1375 NE2 GLN A 89 6.097 10.715 -19.334 1.00 0.00 N ATOM 0 H GLN A 89 4.416 12.892 -18.333 1.00 0.00 H new ATOM 0 HA GLN A 89 6.959 12.350 -16.836 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.498 14.188 -18.860 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.792 12.463 -18.956 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.127 13.768 -19.705 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.382 13.391 -20.869 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.923 10.951 -18.784 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.771 9.749 -19.377 1.00 0.00 H new ATOM 1384 N SER A 90 6.782 14.484 -15.558 1.00 0.00 N ATOM 1385 CA SER A 90 6.708 15.775 -14.818 1.00 0.00 C ATOM 1386 C SER A 90 7.931 15.907 -13.909 1.00 0.00 C ATOM 1387 O SER A 90 8.536 14.928 -13.520 1.00 0.00 O ATOM 1388 CB SER A 90 5.440 15.804 -13.966 1.00 0.00 C ATOM 1389 OG SER A 90 5.799 15.925 -12.596 1.00 0.00 O ATOM 0 H SER A 90 7.275 13.734 -15.073 1.00 0.00 H new ATOM 0 HA SER A 90 6.687 16.601 -15.529 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.807 16.640 -14.263 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.861 14.894 -14.123 1.00 0.00 H new ATOM 0 HG SER A 90 5.366 15.213 -12.080 1.00 0.00 H new ATOM 1395 N ALA A 91 8.301 17.111 -13.565 1.00 0.00 N ATOM 1396 CA ALA A 91 9.484 17.298 -12.679 1.00 0.00 C ATOM 1397 C ALA A 91 9.218 16.623 -11.332 1.00 0.00 C ATOM 1398 O ALA A 91 8.085 16.433 -10.935 1.00 0.00 O ATOM 1399 CB ALA A 91 9.730 18.793 -12.462 1.00 0.00 C ATOM 0 H ALA A 91 7.836 17.970 -13.858 1.00 0.00 H new ATOM 0 HA ALA A 91 10.363 16.852 -13.144 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.596 18.929 -11.814 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.917 19.274 -13.422 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.853 19.242 -11.995 1.00 0.00 H new ATOM 1405 N LEU A 92 10.251 16.257 -10.626 1.00 0.00 N ATOM 1406 CA LEU A 92 10.055 15.591 -9.307 1.00 0.00 C ATOM 1407 C LEU A 92 9.569 16.620 -8.284 1.00 0.00 C ATOM 1408 O LEU A 92 10.346 17.367 -7.722 1.00 0.00 O ATOM 1409 CB LEU A 92 11.384 14.994 -8.838 1.00 0.00 C ATOM 1410 CG LEU A 92 11.138 14.074 -7.640 1.00 0.00 C ATOM 1411 CD1 LEU A 92 10.561 12.744 -8.130 1.00 0.00 C ATOM 1412 CD2 LEU A 92 12.460 13.814 -6.914 1.00 0.00 C ATOM 0 H LEU A 92 11.223 16.390 -10.905 1.00 0.00 H new ATOM 0 HA LEU A 92 9.313 14.798 -9.405 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.850 14.435 -9.649 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.075 15.791 -8.562 1.00 0.00 H new ATOM 0 HG LEU A 92 10.434 14.550 -6.957 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.385 12.088 -7.278 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.620 12.925 -8.649 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.267 12.271 -8.813 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.284 13.159 -6.061 1.00 0.00 H new ATOM 0 HD22 LEU A 92 13.163 13.338 -7.598 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.876 14.759 -6.566 1.00 0.00 H new ATOM 1424 N ASP A 93 8.288 16.667 -8.036 1.00 0.00 N ATOM 1425 CA ASP A 93 7.758 17.648 -7.048 1.00 0.00 C ATOM 1426 C ASP A 93 6.562 17.041 -6.313 1.00 0.00 C ATOM 1427 O ASP A 93 5.624 16.561 -6.922 1.00 0.00 O ATOM 1428 CB ASP A 93 7.318 18.920 -7.777 1.00 0.00 C ATOM 1429 CG ASP A 93 7.111 20.045 -6.761 1.00 0.00 C ATOM 1430 OD1 ASP A 93 6.136 19.986 -6.030 1.00 0.00 O ATOM 1431 OD2 ASP A 93 7.932 20.949 -6.732 1.00 0.00 O ATOM 0 H ASP A 93 7.587 16.069 -8.474 1.00 0.00 H new ATOM 0 HA ASP A 93 8.538 17.893 -6.328 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.071 19.211 -8.509 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.394 18.736 -8.325 1.00 0.00 H new ATOM 1436 N ALA A 94 6.583 17.058 -5.009 1.00 0.00 N ATOM 1437 CA ALA A 94 5.445 16.483 -4.238 1.00 0.00 C ATOM 1438 C ALA A 94 4.191 17.323 -4.487 1.00 0.00 C ATOM 1439 O ALA A 94 3.089 16.813 -4.528 1.00 0.00 O ATOM 1440 CB ALA A 94 5.783 16.495 -2.746 1.00 0.00 C ATOM 0 H ALA A 94 7.339 17.445 -4.444 1.00 0.00 H new ATOM 0 HA ALA A 94 5.265 15.457 -4.559 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.951 16.075 -2.181 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.679 15.899 -2.571 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.961 17.520 -2.421 1.00 0.00 H new ATOM 1446 N LYS A 95 4.351 18.607 -4.660 1.00 0.00 N ATOM 1447 CA LYS A 95 3.168 19.476 -4.912 1.00 0.00 C ATOM 1448 C LYS A 95 2.436 18.979 -6.159 1.00 0.00 C ATOM 1449 O LYS A 95 1.241 18.757 -6.142 1.00 0.00 O ATOM 1450 CB LYS A 95 3.630 20.919 -5.131 1.00 0.00 C ATOM 1451 CG LYS A 95 2.476 21.878 -4.827 1.00 0.00 C ATOM 1452 CD LYS A 95 2.997 23.318 -4.799 1.00 0.00 C ATOM 1453 CE LYS A 95 2.823 23.903 -3.395 1.00 0.00 C ATOM 1454 NZ LYS A 95 1.373 24.112 -3.119 1.00 0.00 N ATOM 0 H LYS A 95 5.249 19.091 -4.638 1.00 0.00 H new ATOM 0 HA LYS A 95 2.497 19.439 -4.054 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.481 21.141 -4.487 1.00 0.00 H new ATOM 0 HB3 LYS A 95 3.966 21.052 -6.159 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.697 21.777 -5.583 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.023 21.626 -3.868 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.049 23.340 -5.085 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.457 23.925 -5.526 1.00 0.00 H new ATOM 0 HE2 LYS A 95 3.252 23.229 -2.653 1.00 0.00 H new ATOM 0 HE3 LYS A 95 3.359 24.849 -3.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.263 24.772 -2.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.912 24.507 -3.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.931 23.202 -2.878 1.00 0.00 H new ATOM 1468 N LEU A 96 3.144 18.796 -7.240 1.00 0.00 N ATOM 1469 CA LEU A 96 2.489 18.307 -8.485 1.00 0.00 C ATOM 1470 C LEU A 96 1.944 16.898 -8.244 1.00 0.00 C ATOM 1471 O LEU A 96 0.750 16.683 -8.203 1.00 0.00 O ATOM 1472 CB LEU A 96 3.511 18.272 -9.622 1.00 0.00 C ATOM 1473 CG LEU A 96 2.778 18.267 -10.966 1.00 0.00 C ATOM 1474 CD1 LEU A 96 2.339 19.690 -11.317 1.00 0.00 C ATOM 1475 CD2 LEU A 96 3.714 17.741 -12.054 1.00 0.00 C ATOM 0 H LEU A 96 4.147 18.964 -7.314 1.00 0.00 H new ATOM 0 HA LEU A 96 1.672 18.976 -8.757 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.171 19.137 -9.559 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.138 17.385 -9.534 1.00 0.00 H new ATOM 0 HG LEU A 96 1.901 17.624 -10.897 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.817 19.684 -12.274 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.671 20.066 -10.542 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.215 20.335 -11.385 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.193 17.737 -13.011 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.592 18.384 -12.121 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.026 16.726 -11.806 1.00 0.00 H new ATOM 1487 N ILE A 97 2.811 15.937 -8.079 1.00 0.00 N ATOM 1488 CA ILE A 97 2.341 14.545 -7.834 1.00 0.00 C ATOM 1489 C ILE A 97 1.083 14.584 -6.967 1.00 0.00 C ATOM 1490 O ILE A 97 0.206 13.752 -7.090 1.00 0.00 O ATOM 1491 CB ILE A 97 3.434 13.758 -7.111 1.00 0.00 C ATOM 1492 CG1 ILE A 97 4.675 13.671 -8.003 1.00 0.00 C ATOM 1493 CG2 ILE A 97 2.931 12.346 -6.803 1.00 0.00 C ATOM 1494 CD1 ILE A 97 5.866 13.179 -7.178 1.00 0.00 C ATOM 0 H ILE A 97 3.824 16.056 -8.103 1.00 0.00 H new ATOM 0 HA ILE A 97 2.116 14.062 -8.785 1.00 0.00 H new ATOM 0 HB ILE A 97 3.688 14.264 -6.180 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.490 12.991 -8.835 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.896 14.648 -8.432 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.711 11.786 -6.288 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.047 12.405 -6.168 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.676 11.840 -7.734 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.749 13.118 -7.814 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.055 13.875 -6.361 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.644 12.193 -6.770 1.00 0.00 H new ATOM 1506 N ASP A 98 0.986 15.546 -6.090 1.00 0.00 N ATOM 1507 CA ASP A 98 -0.216 15.642 -5.215 1.00 0.00 C ATOM 1508 C ASP A 98 -1.439 15.972 -6.071 1.00 0.00 C ATOM 1509 O ASP A 98 -2.421 15.258 -6.069 1.00 0.00 O ATOM 1510 CB ASP A 98 -0.004 16.744 -4.176 1.00 0.00 C ATOM 1511 CG ASP A 98 0.209 16.113 -2.798 1.00 0.00 C ATOM 1512 OD1 ASP A 98 1.313 15.660 -2.542 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -0.733 16.094 -2.024 1.00 0.00 O ATOM 0 H ASP A 98 1.689 16.270 -5.942 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.375 14.692 -4.705 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.859 17.352 -4.446 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.868 17.408 -4.154 1.00 0.00 H new ATOM 1518 N GLU A 99 -1.386 17.050 -6.807 1.00 0.00 N ATOM 1519 CA GLU A 99 -2.545 17.419 -7.665 1.00 0.00 C ATOM 1520 C GLU A 99 -2.752 16.334 -8.722 1.00 0.00 C ATOM 1521 O GLU A 99 -3.865 15.994 -9.069 1.00 0.00 O ATOM 1522 CB GLU A 99 -2.265 18.757 -8.351 1.00 0.00 C ATOM 1523 CG GLU A 99 -2.284 19.877 -7.310 1.00 0.00 C ATOM 1524 CD GLU A 99 -2.662 21.198 -7.985 1.00 0.00 C ATOM 1525 OE1 GLU A 99 -3.724 21.250 -8.583 1.00 0.00 O ATOM 1526 OE2 GLU A 99 -1.884 22.132 -7.892 1.00 0.00 O ATOM 0 H GLU A 99 -0.592 17.688 -6.850 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.442 17.509 -7.053 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -1.297 18.726 -8.850 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -3.014 18.948 -9.120 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -2.999 19.642 -6.521 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -1.306 19.965 -6.838 1.00 0.00 H new ATOM 1533 N GLN A 100 -1.684 15.782 -9.231 1.00 0.00 N ATOM 1534 CA GLN A 100 -1.815 14.714 -10.258 1.00 0.00 C ATOM 1535 C GLN A 100 -2.632 13.558 -9.678 1.00 0.00 C ATOM 1536 O GLN A 100 -3.617 13.133 -10.250 1.00 0.00 O ATOM 1537 CB GLN A 100 -0.422 14.210 -10.648 1.00 0.00 C ATOM 1538 CG GLN A 100 -0.427 13.778 -12.115 1.00 0.00 C ATOM 1539 CD GLN A 100 -0.349 15.014 -13.013 1.00 0.00 C ATOM 1540 OE1 GLN A 100 -1.256 15.284 -13.774 1.00 0.00 O ATOM 1541 NE2 GLN A 100 0.705 15.782 -12.955 1.00 0.00 N ATOM 0 H GLN A 100 -0.726 16.026 -8.979 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.317 15.111 -11.140 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.317 14.996 -10.492 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.136 13.372 -10.012 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.417 13.118 -12.313 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.332 13.212 -12.335 1.00 0.00 H new ATOM 0 HE21 GLN A 100 1.467 15.555 -12.316 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.767 16.609 -13.549 1.00 0.00 H new ATOM 1550 N VAL A 101 -2.233 13.050 -8.545 1.00 0.00 N ATOM 1551 CA VAL A 101 -2.988 11.927 -7.924 1.00 0.00 C ATOM 1552 C VAL A 101 -4.374 12.419 -7.506 1.00 0.00 C ATOM 1553 O VAL A 101 -5.384 11.911 -7.949 1.00 0.00 O ATOM 1554 CB VAL A 101 -2.233 11.423 -6.692 1.00 0.00 C ATOM 1555 CG1 VAL A 101 -3.173 10.589 -5.822 1.00 0.00 C ATOM 1556 CG2 VAL A 101 -1.053 10.557 -7.140 1.00 0.00 C ATOM 0 H VAL A 101 -1.416 13.365 -8.022 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.090 11.115 -8.644 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.866 12.273 -6.117 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.635 10.230 -4.945 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.016 11.203 -5.505 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.540 9.738 -6.395 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.513 10.196 -6.264 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.423 9.707 -7.714 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.382 11.150 -7.761 1.00 0.00 H new ATOM 1566 N GLU A 102 -4.431 13.410 -6.659 1.00 0.00 N ATOM 1567 CA GLU A 102 -5.751 13.937 -6.217 1.00 0.00 C ATOM 1568 C GLU A 102 -6.710 13.964 -7.408 1.00 0.00 C ATOM 1569 O GLU A 102 -7.900 13.770 -7.265 1.00 0.00 O ATOM 1570 CB GLU A 102 -5.573 15.356 -5.670 1.00 0.00 C ATOM 1571 CG GLU A 102 -6.839 15.781 -4.924 1.00 0.00 C ATOM 1572 CD GLU A 102 -6.499 16.907 -3.946 1.00 0.00 C ATOM 1573 OE1 GLU A 102 -5.662 17.728 -4.285 1.00 0.00 O ATOM 1574 OE2 GLU A 102 -7.082 16.930 -2.874 1.00 0.00 O ATOM 0 H GLU A 102 -3.620 13.877 -6.254 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.160 13.295 -5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -4.714 15.393 -5.000 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.370 16.049 -6.487 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.597 16.116 -5.632 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.260 14.932 -4.386 1.00 0.00 H new ATOM 1581 N LYS A 103 -6.198 14.197 -8.586 1.00 0.00 N ATOM 1582 CA LYS A 103 -7.078 14.231 -9.787 1.00 0.00 C ATOM 1583 C LYS A 103 -7.451 12.800 -10.179 1.00 0.00 C ATOM 1584 O LYS A 103 -8.608 12.431 -10.194 1.00 0.00 O ATOM 1585 CB LYS A 103 -6.336 14.900 -10.947 1.00 0.00 C ATOM 1586 CG LYS A 103 -6.243 16.406 -10.691 1.00 0.00 C ATOM 1587 CD LYS A 103 -7.265 17.136 -11.564 1.00 0.00 C ATOM 1588 CE LYS A 103 -7.369 18.597 -11.120 1.00 0.00 C ATOM 1589 NZ LYS A 103 -7.050 19.490 -12.270 1.00 0.00 N ATOM 0 H LYS A 103 -5.209 14.365 -8.768 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.982 14.797 -9.562 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.337 14.475 -11.048 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.859 14.711 -11.885 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.430 16.619 -9.638 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.237 16.762 -10.915 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.967 17.084 -12.611 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.238 16.651 -11.485 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -8.373 18.806 -10.752 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.681 18.788 -10.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.121 20.483 -11.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.083 19.297 -12.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.723 19.314 -13.043 1.00 0.00 H new ATOM 1603 N LEU A 104 -6.477 11.990 -10.495 1.00 0.00 N ATOM 1604 CA LEU A 104 -6.775 10.583 -10.882 1.00 0.00 C ATOM 1605 C LEU A 104 -7.689 9.951 -9.830 1.00 0.00 C ATOM 1606 O LEU A 104 -8.405 9.008 -10.101 1.00 0.00 O ATOM 1607 CB LEU A 104 -5.468 9.792 -10.966 1.00 0.00 C ATOM 1608 CG LEU A 104 -4.787 10.075 -12.306 1.00 0.00 C ATOM 1609 CD1 LEU A 104 -3.345 9.565 -12.264 1.00 0.00 C ATOM 1610 CD2 LEU A 104 -5.546 9.361 -13.430 1.00 0.00 C ATOM 0 H LEU A 104 -5.489 12.242 -10.502 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.272 10.567 -11.852 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.808 10.071 -10.144 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.669 8.725 -10.866 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.789 11.149 -12.492 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.860 9.767 -13.219 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.802 10.073 -11.467 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.344 8.491 -12.076 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.059 9.564 -14.384 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.546 8.287 -13.244 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.573 9.724 -13.463 1.00 0.00 H new ATOM 1622 N VAL A 105 -7.671 10.467 -8.631 1.00 0.00 N ATOM 1623 CA VAL A 105 -8.539 9.899 -7.561 1.00 0.00 C ATOM 1624 C VAL A 105 -9.986 10.336 -7.796 1.00 0.00 C ATOM 1625 O VAL A 105 -10.865 9.522 -7.995 1.00 0.00 O ATOM 1626 CB VAL A 105 -8.067 10.405 -6.196 1.00 0.00 C ATOM 1627 CG1 VAL A 105 -9.041 9.937 -5.112 1.00 0.00 C ATOM 1628 CG2 VAL A 105 -6.672 9.848 -5.903 1.00 0.00 C ATOM 0 H VAL A 105 -7.093 11.257 -8.346 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.479 8.811 -7.583 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.031 11.494 -6.204 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.704 10.298 -4.140 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.035 10.332 -5.321 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.078 8.848 -5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.334 10.207 -4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.710 8.759 -5.894 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.978 10.181 -6.675 1.00 0.00 H new ATOM 1638 N ASN A 106 -10.242 11.616 -7.777 1.00 0.00 N ATOM 1639 CA ASN A 106 -11.633 12.099 -8.001 1.00 0.00 C ATOM 1640 C ASN A 106 -12.200 11.439 -9.258 1.00 0.00 C ATOM 1641 O ASN A 106 -13.303 10.931 -9.263 1.00 0.00 O ATOM 1642 CB ASN A 106 -11.623 13.618 -8.186 1.00 0.00 C ATOM 1643 CG ASN A 106 -10.913 14.274 -7.001 1.00 0.00 C ATOM 1644 OD1 ASN A 106 -10.873 13.723 -5.918 1.00 0.00 O ATOM 1645 ND2 ASN A 106 -10.344 15.438 -7.162 1.00 0.00 N ATOM 0 H ASN A 106 -9.549 12.347 -7.616 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.251 11.842 -7.141 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -11.117 13.878 -9.116 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.644 13.992 -8.264 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -9.866 15.885 -6.379 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -10.377 15.901 -8.070 1.00 0.00 H new ATOM 1652 N LEU A 107 -11.451 11.441 -10.327 1.00 0.00 N ATOM 1653 CA LEU A 107 -11.942 10.815 -11.587 1.00 0.00 C ATOM 1654 C LEU A 107 -12.292 9.348 -11.325 1.00 0.00 C ATOM 1655 O LEU A 107 -13.406 8.916 -11.549 1.00 0.00 O ATOM 1656 CB LEU A 107 -10.846 10.900 -12.652 1.00 0.00 C ATOM 1657 CG LEU A 107 -11.321 10.223 -13.940 1.00 0.00 C ATOM 1658 CD1 LEU A 107 -11.607 11.287 -15.002 1.00 0.00 C ATOM 1659 CD2 LEU A 107 -10.230 9.278 -14.448 1.00 0.00 C ATOM 0 H LEU A 107 -10.518 11.850 -10.382 1.00 0.00 H new ATOM 0 HA LEU A 107 -12.831 11.340 -11.936 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -10.598 11.943 -12.849 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.937 10.418 -12.291 1.00 0.00 H new ATOM 0 HG LEU A 107 -12.231 9.657 -13.739 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.945 10.804 -15.919 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -12.382 11.963 -14.641 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -10.698 11.853 -15.204 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.566 8.794 -15.365 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.321 9.846 -14.649 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.025 8.520 -13.692 1.00 0.00 H new ATOM 1671 N ALA A 108 -11.351 8.576 -10.854 1.00 0.00 N ATOM 1672 CA ALA A 108 -11.632 7.138 -10.582 1.00 0.00 C ATOM 1673 C ALA A 108 -13.012 6.999 -9.935 1.00 0.00 C ATOM 1674 O ALA A 108 -13.904 6.378 -10.479 1.00 0.00 O ATOM 1675 CB ALA A 108 -10.569 6.578 -9.634 1.00 0.00 C ATOM 0 H ALA A 108 -10.400 8.879 -10.646 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.612 6.583 -11.520 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.776 5.526 -9.436 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -9.585 6.674 -10.093 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -10.588 7.134 -8.697 1.00 0.00 H new ATOM 1681 N GLU A 109 -13.192 7.569 -8.775 1.00 0.00 N ATOM 1682 CA GLU A 109 -14.512 7.468 -8.091 1.00 0.00 C ATOM 1683 C GLU A 109 -15.616 7.978 -9.021 1.00 0.00 C ATOM 1684 O GLU A 109 -16.703 7.438 -9.064 1.00 0.00 O ATOM 1685 CB GLU A 109 -14.491 8.313 -6.816 1.00 0.00 C ATOM 1686 CG GLU A 109 -14.030 7.452 -5.637 1.00 0.00 C ATOM 1687 CD GLU A 109 -15.063 6.357 -5.369 1.00 0.00 C ATOM 1688 OE1 GLU A 109 -16.058 6.653 -4.728 1.00 0.00 O ATOM 1689 OE2 GLU A 109 -14.843 5.242 -5.810 1.00 0.00 O ATOM 0 H GLU A 109 -12.482 8.100 -8.271 1.00 0.00 H new ATOM 0 HA GLU A 109 -14.707 6.426 -7.836 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -13.821 9.163 -6.942 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -15.484 8.716 -6.618 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -13.060 7.006 -5.857 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -13.902 8.071 -4.749 1.00 0.00 H new ATOM 1696 N LYS A 110 -15.348 9.016 -9.765 1.00 0.00 N ATOM 1697 CA LYS A 110 -16.384 9.562 -10.687 1.00 0.00 C ATOM 1698 C LYS A 110 -16.967 8.429 -11.535 1.00 0.00 C ATOM 1699 O LYS A 110 -18.139 8.421 -11.854 1.00 0.00 O ATOM 1700 CB LYS A 110 -15.752 10.610 -11.606 1.00 0.00 C ATOM 1701 CG LYS A 110 -16.831 11.583 -12.089 1.00 0.00 C ATOM 1702 CD LYS A 110 -16.242 12.517 -13.148 1.00 0.00 C ATOM 1703 CE LYS A 110 -17.183 13.705 -13.361 1.00 0.00 C ATOM 1704 NZ LYS A 110 -16.861 14.779 -12.377 1.00 0.00 N ATOM 0 H LYS A 110 -14.456 9.510 -9.774 1.00 0.00 H new ATOM 0 HA LYS A 110 -17.179 10.023 -10.101 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -14.970 11.152 -11.074 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -15.278 10.123 -12.458 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -17.674 11.030 -12.505 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -17.214 12.164 -11.250 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.260 12.869 -12.832 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.101 11.979 -14.085 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -17.081 14.086 -14.377 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -18.219 13.388 -13.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -17.501 15.586 -12.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -16.980 14.412 -11.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -15.877 15.089 -12.511 1.00 0.00 H new ATOM 1718 N PHE A 111 -16.158 7.475 -11.907 1.00 0.00 N ATOM 1719 CA PHE A 111 -16.668 6.349 -12.738 1.00 0.00 C ATOM 1720 C PHE A 111 -17.013 5.158 -11.839 1.00 0.00 C ATOM 1721 O PHE A 111 -18.164 4.897 -11.555 1.00 0.00 O ATOM 1722 CB PHE A 111 -15.593 5.936 -13.746 1.00 0.00 C ATOM 1723 CG PHE A 111 -15.476 6.994 -14.817 1.00 0.00 C ATOM 1724 CD1 PHE A 111 -16.330 6.965 -15.926 1.00 0.00 C ATOM 1725 CD2 PHE A 111 -14.516 8.006 -14.697 1.00 0.00 C ATOM 1726 CE1 PHE A 111 -16.222 7.947 -16.917 1.00 0.00 C ATOM 1727 CE2 PHE A 111 -14.409 8.989 -15.689 1.00 0.00 C ATOM 1728 CZ PHE A 111 -15.261 8.958 -16.799 1.00 0.00 C ATOM 0 H PHE A 111 -15.167 7.427 -11.671 1.00 0.00 H new ATOM 0 HA PHE A 111 -17.564 6.668 -13.270 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -14.636 5.807 -13.241 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -15.849 4.976 -14.194 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -17.072 6.185 -16.017 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -13.859 8.029 -13.840 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -16.880 7.925 -17.773 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -13.669 9.771 -15.597 1.00 0.00 H new ATOM 0 HZ PHE A 111 -15.177 9.715 -17.565 1.00 0.00 H new ATOM 1738 N ASP A 112 -16.025 4.433 -11.393 1.00 0.00 N ATOM 1739 CA ASP A 112 -16.298 3.259 -10.515 1.00 0.00 C ATOM 1740 C ASP A 112 -15.044 2.389 -10.417 1.00 0.00 C ATOM 1741 O ASP A 112 -15.121 1.183 -10.292 1.00 0.00 O ATOM 1742 CB ASP A 112 -17.444 2.435 -11.108 1.00 0.00 C ATOM 1743 CG ASP A 112 -18.740 2.746 -10.358 1.00 0.00 C ATOM 1744 OD1 ASP A 112 -18.772 2.536 -9.157 1.00 0.00 O ATOM 1745 OD2 ASP A 112 -19.679 3.191 -10.998 1.00 0.00 O ATOM 0 H ASP A 112 -15.040 4.602 -11.598 1.00 0.00 H new ATOM 0 HA ASP A 112 -16.576 3.608 -9.520 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -17.561 2.665 -12.167 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -17.216 1.372 -11.036 1.00 0.00 H new ATOM 1750 N ILE A 113 -13.887 2.991 -10.473 1.00 0.00 N ATOM 1751 CA ILE A 113 -12.629 2.199 -10.382 1.00 0.00 C ATOM 1752 C ILE A 113 -11.872 2.597 -9.113 1.00 0.00 C ATOM 1753 O ILE A 113 -12.264 3.503 -8.406 1.00 0.00 O ATOM 1754 CB ILE A 113 -11.758 2.485 -11.608 1.00 0.00 C ATOM 1755 CG1 ILE A 113 -11.449 3.982 -11.674 1.00 0.00 C ATOM 1756 CG2 ILE A 113 -12.505 2.065 -12.875 1.00 0.00 C ATOM 1757 CD1 ILE A 113 -10.601 4.274 -12.913 1.00 0.00 C ATOM 0 H ILE A 113 -13.759 3.998 -10.578 1.00 0.00 H new ATOM 0 HA ILE A 113 -12.867 1.136 -10.346 1.00 0.00 H new ATOM 0 HB ILE A 113 -10.827 1.923 -11.531 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -12.376 4.554 -11.712 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -10.918 4.294 -10.775 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -11.885 2.269 -13.748 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -12.728 0.999 -12.829 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -13.435 2.627 -12.952 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -10.381 5.340 -12.960 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -9.668 3.713 -12.856 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -11.149 3.977 -13.807 1.00 0.00 H new ATOM 1769 N ILE A 114 -10.792 1.927 -8.818 1.00 0.00 N ATOM 1770 CA ILE A 114 -10.019 2.274 -7.592 1.00 0.00 C ATOM 1771 C ILE A 114 -8.609 2.725 -7.980 1.00 0.00 C ATOM 1772 O ILE A 114 -8.029 2.237 -8.929 1.00 0.00 O ATOM 1773 CB ILE A 114 -9.924 1.049 -6.679 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -8.687 1.179 -5.784 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -9.805 -0.215 -7.532 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -8.877 0.342 -4.518 1.00 0.00 C ATOM 0 H ILE A 114 -10.413 1.158 -9.370 1.00 0.00 H new ATOM 0 HA ILE A 114 -10.528 3.082 -7.067 1.00 0.00 H new ATOM 0 HB ILE A 114 -10.819 0.985 -6.059 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.800 0.845 -6.322 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -8.525 2.224 -5.520 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -9.737 -1.087 -6.882 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -10.683 -0.306 -8.172 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.910 -0.153 -8.151 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -7.996 0.437 -3.884 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.754 0.696 -3.976 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.017 -0.704 -4.791 1.00 0.00 H new ATOM 1788 N TYR A 115 -8.054 3.647 -7.245 1.00 0.00 N ATOM 1789 CA TYR A 115 -6.680 4.129 -7.558 1.00 0.00 C ATOM 1790 C TYR A 115 -5.745 3.747 -6.408 1.00 0.00 C ATOM 1791 O TYR A 115 -5.712 4.397 -5.383 1.00 0.00 O ATOM 1792 CB TYR A 115 -6.701 5.652 -7.731 1.00 0.00 C ATOM 1793 CG TYR A 115 -5.370 6.236 -7.315 1.00 0.00 C ATOM 1794 CD1 TYR A 115 -4.315 6.301 -8.233 1.00 0.00 C ATOM 1795 CD2 TYR A 115 -5.193 6.715 -6.011 1.00 0.00 C ATOM 1796 CE1 TYR A 115 -3.084 6.845 -7.848 1.00 0.00 C ATOM 1797 CE2 TYR A 115 -3.962 7.258 -5.626 1.00 0.00 C ATOM 1798 CZ TYR A 115 -2.907 7.323 -6.544 1.00 0.00 C ATOM 1799 OH TYR A 115 -1.692 7.859 -6.165 1.00 0.00 O ATOM 0 H TYR A 115 -8.494 4.089 -6.438 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.326 3.671 -8.482 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.910 5.906 -8.770 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.501 6.084 -7.130 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -4.451 5.931 -9.239 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.007 6.665 -5.302 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.271 6.896 -8.557 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.826 7.627 -4.620 1.00 0.00 H new ATOM 0 HH TYR A 115 -1.070 7.135 -5.943 1.00 0.00 H new ATOM 1809 N ASP A 116 -4.990 2.694 -6.565 1.00 0.00 N ATOM 1810 CA ASP A 116 -4.066 2.274 -5.475 1.00 0.00 C ATOM 1811 C ASP A 116 -2.850 1.565 -6.076 1.00 0.00 C ATOM 1812 O ASP A 116 -2.793 0.352 -6.131 1.00 0.00 O ATOM 1813 CB ASP A 116 -4.797 1.318 -4.530 1.00 0.00 C ATOM 1814 CG ASP A 116 -5.443 2.116 -3.395 1.00 0.00 C ATOM 1815 OD1 ASP A 116 -4.752 2.402 -2.431 1.00 0.00 O ATOM 1816 OD2 ASP A 116 -6.617 2.428 -3.512 1.00 0.00 O ATOM 0 H ASP A 116 -4.973 2.108 -7.400 1.00 0.00 H new ATOM 0 HA ASP A 116 -3.735 3.153 -4.922 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -5.558 0.761 -5.076 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.098 0.587 -4.123 1.00 0.00 H new ATOM 1821 N GLY A 117 -1.874 2.308 -6.523 1.00 0.00 N ATOM 1822 CA GLY A 117 -0.664 1.670 -7.115 1.00 0.00 C ATOM 1823 C GLY A 117 0.099 2.693 -7.959 1.00 0.00 C ATOM 1824 O GLY A 117 0.092 2.637 -9.173 1.00 0.00 O ATOM 0 H GLY A 117 -1.862 3.328 -6.504 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -0.021 1.285 -6.324 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -0.955 0.820 -7.732 1.00 0.00 H new ATOM 1828 N TRP A 118 0.760 3.625 -7.329 1.00 0.00 N ATOM 1829 CA TRP A 118 1.523 4.647 -8.099 1.00 0.00 C ATOM 1830 C TRP A 118 3.012 4.536 -7.753 1.00 0.00 C ATOM 1831 O TRP A 118 3.379 4.059 -6.698 1.00 0.00 O ATOM 1832 CB TRP A 118 1.006 6.045 -7.742 1.00 0.00 C ATOM 1833 CG TRP A 118 1.788 6.599 -6.593 1.00 0.00 C ATOM 1834 CD1 TRP A 118 1.447 6.481 -5.289 1.00 0.00 C ATOM 1835 CD2 TRP A 118 3.034 7.355 -6.623 1.00 0.00 C ATOM 1836 NE1 TRP A 118 2.403 7.115 -4.517 1.00 0.00 N ATOM 1837 CE2 TRP A 118 3.402 7.669 -5.292 1.00 0.00 C ATOM 1838 CE3 TRP A 118 3.872 7.792 -7.664 1.00 0.00 C ATOM 1839 CZ2 TRP A 118 4.560 8.392 -5.007 1.00 0.00 C ATOM 1840 CZ3 TRP A 118 5.038 8.521 -7.378 1.00 0.00 C ATOM 1841 CH2 TRP A 118 5.382 8.821 -6.053 1.00 0.00 C ATOM 0 H TRP A 118 0.805 3.723 -6.315 1.00 0.00 H new ATOM 0 HA TRP A 118 1.389 4.479 -9.168 1.00 0.00 H new ATOM 0 HB2 TRP A 118 1.093 6.706 -8.605 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -0.052 5.996 -7.483 1.00 0.00 H new ATOM 0 HD1 TRP A 118 0.571 5.974 -4.912 1.00 0.00 H new ATOM 0 HE1 TRP A 118 2.374 7.167 -3.499 1.00 0.00 H new ATOM 0 HE3 TRP A 118 3.618 7.566 -8.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 4.820 8.619 -3.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 5.674 8.853 -8.185 1.00 0.00 H new ATOM 0 HH2 TRP A 118 6.280 9.382 -5.841 1.00 0.00 H new ATOM 1852 N GLY A 119 3.873 4.976 -8.632 1.00 0.00 N ATOM 1853 CA GLY A 119 5.335 4.896 -8.345 1.00 0.00 C ATOM 1854 C GLY A 119 6.128 5.260 -9.603 1.00 0.00 C ATOM 1855 O GLY A 119 5.643 5.142 -10.711 1.00 0.00 O ATOM 0 H GLY A 119 3.628 5.386 -9.533 1.00 0.00 H new ATOM 0 HA2 GLY A 119 5.593 5.574 -7.532 1.00 0.00 H new ATOM 0 HA3 GLY A 119 5.597 3.890 -8.017 1.00 0.00 H new ATOM 1859 N THR A 120 7.345 5.703 -9.440 1.00 0.00 N ATOM 1860 CA THR A 120 8.169 6.075 -10.624 1.00 0.00 C ATOM 1861 C THR A 120 9.345 5.104 -10.753 1.00 0.00 C ATOM 1862 O THR A 120 9.537 4.232 -9.928 1.00 0.00 O ATOM 1863 CB THR A 120 8.703 7.498 -10.448 1.00 0.00 C ATOM 1864 OG1 THR A 120 9.553 7.822 -11.541 1.00 0.00 O ATOM 1865 CG2 THR A 120 9.491 7.591 -9.140 1.00 0.00 C ATOM 0 H THR A 120 7.804 5.823 -8.537 1.00 0.00 H new ATOM 0 HA THR A 120 7.555 6.025 -11.523 1.00 0.00 H new ATOM 0 HB THR A 120 7.869 8.199 -10.417 1.00 0.00 H new ATOM 0 HG1 THR A 120 9.019 7.898 -12.359 1.00 0.00 H new ATOM 0 HG21 THR A 120 9.871 8.605 -9.015 1.00 0.00 H new ATOM 0 HG22 THR A 120 8.838 7.343 -8.303 1.00 0.00 H new ATOM 0 HG23 THR A 120 10.326 6.891 -9.168 1.00 0.00 H new ATOM 1873 N TYR A 121 10.134 5.245 -11.784 1.00 0.00 N ATOM 1874 CA TYR A 121 11.296 4.330 -11.967 1.00 0.00 C ATOM 1875 C TYR A 121 12.590 5.071 -11.624 1.00 0.00 C ATOM 1876 O TYR A 121 12.906 6.091 -12.205 1.00 0.00 O ATOM 1877 CB TYR A 121 11.350 3.860 -13.421 1.00 0.00 C ATOM 1878 CG TYR A 121 10.862 2.434 -13.510 1.00 0.00 C ATOM 1879 CD1 TYR A 121 11.524 1.421 -12.805 1.00 0.00 C ATOM 1880 CD2 TYR A 121 9.749 2.124 -14.300 1.00 0.00 C ATOM 1881 CE1 TYR A 121 11.072 0.099 -12.889 1.00 0.00 C ATOM 1882 CE2 TYR A 121 9.297 0.802 -14.385 1.00 0.00 C ATOM 1883 CZ TYR A 121 9.959 -0.210 -13.680 1.00 0.00 C ATOM 1884 OH TYR A 121 9.513 -1.514 -13.765 1.00 0.00 O ATOM 0 H TYR A 121 10.023 5.955 -12.508 1.00 0.00 H new ATOM 0 HA TYR A 121 11.186 3.468 -11.309 1.00 0.00 H new ATOM 0 HB2 TYR A 121 10.733 4.506 -14.046 1.00 0.00 H new ATOM 0 HB3 TYR A 121 12.370 3.930 -13.799 1.00 0.00 H new ATOM 0 HD1 TYR A 121 12.384 1.660 -12.196 1.00 0.00 H new ATOM 0 HD2 TYR A 121 9.239 2.905 -14.844 1.00 0.00 H new ATOM 0 HE1 TYR A 121 11.581 -0.682 -12.344 1.00 0.00 H new ATOM 0 HE2 TYR A 121 8.438 0.563 -14.994 1.00 0.00 H new ATOM 0 HH TYR A 121 8.731 -1.554 -14.354 1.00 0.00 H new ATOM 1894 N TYR A 122 13.344 4.565 -10.688 1.00 0.00 N ATOM 1895 CA TYR A 122 14.618 5.237 -10.310 1.00 0.00 C ATOM 1896 C TYR A 122 15.279 5.820 -11.562 1.00 0.00 C ATOM 1897 O TYR A 122 15.241 5.234 -12.626 1.00 0.00 O ATOM 1898 CB TYR A 122 15.559 4.219 -9.665 1.00 0.00 C ATOM 1899 CG TYR A 122 16.694 4.945 -8.986 1.00 0.00 C ATOM 1900 CD1 TYR A 122 17.753 5.455 -9.747 1.00 0.00 C ATOM 1901 CD2 TYR A 122 16.687 5.111 -7.597 1.00 0.00 C ATOM 1902 CE1 TYR A 122 18.804 6.131 -9.118 1.00 0.00 C ATOM 1903 CE2 TYR A 122 17.739 5.787 -6.967 1.00 0.00 C ATOM 1904 CZ TYR A 122 18.798 6.297 -7.728 1.00 0.00 C ATOM 1905 OH TYR A 122 19.834 6.963 -7.107 1.00 0.00 O ATOM 0 H TYR A 122 13.132 3.714 -10.168 1.00 0.00 H new ATOM 0 HA TYR A 122 14.409 6.039 -9.602 1.00 0.00 H new ATOM 0 HB2 TYR A 122 15.015 3.613 -8.940 1.00 0.00 H new ATOM 0 HB3 TYR A 122 15.949 3.538 -10.421 1.00 0.00 H new ATOM 0 HD1 TYR A 122 17.758 5.327 -10.819 1.00 0.00 H new ATOM 0 HD2 TYR A 122 15.870 4.718 -7.010 1.00 0.00 H new ATOM 0 HE1 TYR A 122 19.620 6.525 -9.705 1.00 0.00 H new ATOM 0 HE2 TYR A 122 17.734 5.915 -5.895 1.00 0.00 H new ATOM 0 HH TYR A 122 20.205 7.633 -7.718 1.00 0.00 H new ATOM 1915 N GLU A 123 15.884 6.970 -11.443 1.00 0.00 N ATOM 1916 CA GLU A 123 16.544 7.591 -12.626 1.00 0.00 C ATOM 1917 C GLU A 123 17.994 7.107 -12.717 1.00 0.00 C ATOM 1918 O GLU A 123 18.746 7.189 -11.767 1.00 0.00 O ATOM 1919 CB GLU A 123 16.524 9.114 -12.479 1.00 0.00 C ATOM 1920 CG GLU A 123 15.591 9.717 -13.531 1.00 0.00 C ATOM 1921 CD GLU A 123 16.310 9.767 -14.880 1.00 0.00 C ATOM 1922 OE1 GLU A 123 16.978 8.800 -15.209 1.00 0.00 O ATOM 1923 OE2 GLU A 123 16.182 10.770 -15.560 1.00 0.00 O ATOM 0 H GLU A 123 15.950 7.506 -10.578 1.00 0.00 H new ATOM 0 HA GLU A 123 16.009 7.305 -13.531 1.00 0.00 H new ATOM 0 HB2 GLU A 123 16.188 9.389 -11.479 1.00 0.00 H new ATOM 0 HB3 GLU A 123 17.531 9.515 -12.598 1.00 0.00 H new ATOM 0 HG2 GLU A 123 14.683 9.120 -13.613 1.00 0.00 H new ATOM 0 HG3 GLU A 123 15.287 10.720 -13.231 1.00 0.00 H new ATOM 1930 N GLY A 124 18.389 6.604 -13.855 1.00 0.00 N ATOM 1931 CA GLY A 124 19.789 6.116 -14.009 1.00 0.00 C ATOM 1932 C GLY A 124 19.939 4.757 -13.325 1.00 0.00 C ATOM 1933 O GLY A 124 20.611 4.627 -12.321 1.00 0.00 O ATOM 0 H GLY A 124 17.803 6.510 -14.684 1.00 0.00 H new ATOM 0 HA2 GLY A 124 20.041 6.032 -15.066 1.00 0.00 H new ATOM 0 HA3 GLY A 124 20.484 6.833 -13.572 1.00 0.00 H new ATOM 1937 N LEU A 125 19.320 3.741 -13.861 1.00 0.00 N ATOM 1938 CA LEU A 125 19.429 2.390 -13.242 1.00 0.00 C ATOM 1939 C LEU A 125 20.872 1.892 -13.353 1.00 0.00 C ATOM 1940 O LEU A 125 21.191 1.062 -14.182 1.00 0.00 O ATOM 1941 CB LEU A 125 18.495 1.420 -13.968 1.00 0.00 C ATOM 1942 CG LEU A 125 17.097 2.032 -14.060 1.00 0.00 C ATOM 1943 CD1 LEU A 125 16.083 0.944 -14.421 1.00 0.00 C ATOM 1944 CD2 LEU A 125 16.724 2.644 -12.708 1.00 0.00 C ATOM 0 H LEU A 125 18.743 3.788 -14.701 1.00 0.00 H new ATOM 0 HA LEU A 125 19.146 2.448 -12.191 1.00 0.00 H new ATOM 0 HB2 LEU A 125 18.878 1.209 -14.967 1.00 0.00 H new ATOM 0 HB3 LEU A 125 18.454 0.470 -13.435 1.00 0.00 H new ATOM 0 HG LEU A 125 17.088 2.805 -14.829 1.00 0.00 H new ATOM 0 HD11 LEU A 125 15.087 1.382 -14.486 1.00 0.00 H new ATOM 0 HD12 LEU A 125 16.349 0.503 -15.382 1.00 0.00 H new ATOM 0 HD13 LEU A 125 16.090 0.171 -13.653 1.00 0.00 H new ATOM 0 HD21 LEU A 125 15.728 3.082 -12.769 1.00 0.00 H new ATOM 0 HD22 LEU A 125 16.733 1.868 -11.942 1.00 0.00 H new ATOM 0 HD23 LEU A 125 17.445 3.419 -12.448 1.00 0.00 H new ATOM 1956 N GLU A 126 21.749 2.392 -12.525 1.00 0.00 N ATOM 1957 CA GLU A 126 23.170 1.948 -12.584 1.00 0.00 C ATOM 1958 C GLU A 126 23.399 0.832 -11.563 1.00 0.00 C ATOM 1959 O GLU A 126 22.470 0.320 -10.968 1.00 0.00 O ATOM 1960 CB GLU A 126 24.087 3.130 -12.261 1.00 0.00 C ATOM 1961 CG GLU A 126 23.714 4.322 -13.146 1.00 0.00 C ATOM 1962 CD GLU A 126 24.001 5.624 -12.397 1.00 0.00 C ATOM 1963 OE1 GLU A 126 25.003 5.678 -11.704 1.00 0.00 O ATOM 1964 OE2 GLU A 126 23.211 6.546 -12.528 1.00 0.00 O ATOM 0 H GLU A 126 21.542 3.089 -11.810 1.00 0.00 H new ATOM 0 HA GLU A 126 23.393 1.577 -13.584 1.00 0.00 H new ATOM 0 HB2 GLU A 126 23.992 3.401 -11.209 1.00 0.00 H new ATOM 0 HB3 GLU A 126 25.128 2.852 -12.426 1.00 0.00 H new ATOM 0 HG2 GLU A 126 24.284 4.291 -14.075 1.00 0.00 H new ATOM 0 HG3 GLU A 126 22.660 4.271 -13.417 1.00 0.00 H new ATOM 1971 N HIS A 127 24.630 0.450 -11.354 1.00 0.00 N ATOM 1972 CA HIS A 127 24.917 -0.632 -10.371 1.00 0.00 C ATOM 1973 C HIS A 127 25.575 -0.032 -9.127 1.00 0.00 C ATOM 1974 O HIS A 127 25.093 -0.184 -8.023 1.00 0.00 O ATOM 1975 CB HIS A 127 25.858 -1.660 -11.002 1.00 0.00 C ATOM 1976 CG HIS A 127 25.681 -1.657 -12.496 1.00 0.00 C ATOM 1977 ND1 HIS A 127 24.457 -1.393 -13.094 1.00 0.00 N ATOM 1978 CD2 HIS A 127 26.561 -1.884 -13.525 1.00 0.00 C ATOM 1979 CE1 HIS A 127 24.632 -1.467 -14.427 1.00 0.00 C ATOM 1980 NE2 HIS A 127 25.895 -1.763 -14.739 1.00 0.00 N ATOM 0 H HIS A 127 25.448 0.840 -11.821 1.00 0.00 H new ATOM 0 HA HIS A 127 23.985 -1.120 -10.088 1.00 0.00 H new ATOM 0 HB2 HIS A 127 26.892 -1.426 -10.748 1.00 0.00 H new ATOM 0 HB3 HIS A 127 25.649 -2.653 -10.603 1.00 0.00 H new ATOM 0 HD2 HIS A 127 27.609 -2.120 -13.409 1.00 0.00 H new ATOM 0 HE1 HIS A 127 23.848 -1.307 -15.153 1.00 0.00 H new ATOM 0 HE2 HIS A 127 26.289 -1.877 -15.673 1.00 0.00 H new ATOM 1988 N HIS A 128 26.675 0.649 -9.296 1.00 0.00 N ATOM 1989 CA HIS A 128 27.362 1.257 -8.122 1.00 0.00 C ATOM 1990 C HIS A 128 27.045 2.754 -8.062 1.00 0.00 C ATOM 1991 O HIS A 128 26.087 3.220 -8.645 1.00 0.00 O ATOM 1992 CB HIS A 128 28.876 1.065 -8.256 1.00 0.00 C ATOM 1993 CG HIS A 128 29.177 -0.377 -8.556 1.00 0.00 C ATOM 1994 ND1 HIS A 128 28.860 -0.962 -9.773 1.00 0.00 N ATOM 1995 CD2 HIS A 128 29.770 -1.366 -7.808 1.00 0.00 C ATOM 1996 CE1 HIS A 128 29.260 -2.247 -9.725 1.00 0.00 C ATOM 1997 NE2 HIS A 128 29.820 -2.541 -8.550 1.00 0.00 N ATOM 0 H HIS A 128 27.127 0.811 -10.196 1.00 0.00 H new ATOM 0 HA HIS A 128 27.013 0.773 -7.210 1.00 0.00 H new ATOM 0 HB2 HIS A 128 29.264 1.701 -9.051 1.00 0.00 H new ATOM 0 HB3 HIS A 128 29.374 1.367 -7.335 1.00 0.00 H new ATOM 0 HD2 HIS A 128 30.140 -1.249 -6.800 1.00 0.00 H new ATOM 0 HE1 HIS A 128 29.142 -2.951 -10.536 1.00 0.00 H new ATOM 0 HE2 HIS A 128 30.204 -3.439 -8.257 1.00 0.00 H new ATOM 2005 N HIS A 129 27.846 3.509 -7.361 1.00 0.00 N ATOM 2006 CA HIS A 129 27.595 4.975 -7.263 1.00 0.00 C ATOM 2007 C HIS A 129 28.931 5.718 -7.323 1.00 0.00 C ATOM 2008 O HIS A 129 29.078 6.696 -8.027 1.00 0.00 O ATOM 2009 CB HIS A 129 26.894 5.287 -5.939 1.00 0.00 C ATOM 2010 CG HIS A 129 26.666 6.770 -5.828 1.00 0.00 C ATOM 2011 ND1 HIS A 129 26.769 7.786 -6.747 1.00 0.00 N flip ATOM 2012 CD2 HIS A 129 26.275 7.372 -4.640 1.00 0.00 C flip ATOM 2013 CE1 HIS A 129 26.446 8.994 -6.141 1.00 0.00 C flip ATOM 2014 NE2 HIS A 129 26.156 8.693 -4.874 1.00 0.00 N flip ATOM 0 H HIS A 129 28.664 3.174 -6.852 1.00 0.00 H new ATOM 0 HA HIS A 129 26.960 5.295 -8.090 1.00 0.00 H new ATOM 0 HB2 HIS A 129 25.943 4.757 -5.885 1.00 0.00 H new ATOM 0 HB3 HIS A 129 27.501 4.938 -5.103 1.00 0.00 H new ATOM 0 HD1 HIS A 129 27.041 7.671 -7.723 1.00 0.00 H new ATOM 0 HD2 HIS A 129 26.098 6.872 -3.699 1.00 0.00 H new ATOM 0 HE1 HIS A 129 26.433 9.972 -6.600 1.00 0.00 H new ATOM 2022 N HIS A 130 29.907 5.257 -6.589 1.00 0.00 N ATOM 2023 CA HIS A 130 31.234 5.932 -6.605 1.00 0.00 C ATOM 2024 C HIS A 130 32.090 5.344 -7.728 1.00 0.00 C ATOM 2025 O HIS A 130 32.335 4.155 -7.776 1.00 0.00 O ATOM 2026 CB HIS A 130 31.935 5.712 -5.263 1.00 0.00 C ATOM 2027 CG HIS A 130 30.909 5.433 -4.201 1.00 0.00 C ATOM 2028 ND1 HIS A 130 29.638 5.989 -4.235 1.00 0.00 N ATOM 2029 CD2 HIS A 130 30.950 4.660 -3.066 1.00 0.00 C ATOM 2030 CE1 HIS A 130 28.972 5.547 -3.152 1.00 0.00 C ATOM 2031 NE2 HIS A 130 29.727 4.736 -2.409 1.00 0.00 N ATOM 0 H HIS A 130 29.842 4.442 -5.979 1.00 0.00 H new ATOM 0 HA HIS A 130 31.096 7.000 -6.772 1.00 0.00 H new ATOM 0 HB2 HIS A 130 32.633 4.878 -5.338 1.00 0.00 H new ATOM 0 HB3 HIS A 130 32.519 6.593 -4.997 1.00 0.00 H new ATOM 0 HD2 HIS A 130 31.801 4.083 -2.735 1.00 0.00 H new ATOM 0 HE1 HIS A 130 27.953 5.815 -2.914 1.00 0.00 H new ATOM 0 HE2 HIS A 130 29.463 4.270 -1.541 1.00 0.00 H new ATOM 2039 N HIS A 131 32.546 6.166 -8.634 1.00 0.00 N ATOM 2040 CA HIS A 131 33.384 5.650 -9.753 1.00 0.00 C ATOM 2041 C HIS A 131 34.852 6.000 -9.498 1.00 0.00 C ATOM 2042 O HIS A 131 35.288 7.105 -9.747 1.00 0.00 O ATOM 2043 CB HIS A 131 32.928 6.287 -11.067 1.00 0.00 C ATOM 2044 CG HIS A 131 32.818 7.777 -10.892 1.00 0.00 C ATOM 2045 ND1 HIS A 131 32.069 8.350 -9.873 1.00 0.00 N ATOM 2046 CD2 HIS A 131 33.354 8.826 -11.598 1.00 0.00 C ATOM 2047 CE1 HIS A 131 32.173 9.687 -9.994 1.00 0.00 C ATOM 2048 NE2 HIS A 131 32.944 10.026 -11.029 1.00 0.00 N ATOM 0 H HIS A 131 32.374 7.171 -8.647 1.00 0.00 H new ATOM 0 HA HIS A 131 33.276 4.567 -9.817 1.00 0.00 H new ATOM 0 HB2 HIS A 131 33.638 6.055 -11.861 1.00 0.00 H new ATOM 0 HB3 HIS A 131 31.966 5.874 -11.369 1.00 0.00 H new ATOM 0 HD2 HIS A 131 33.995 8.733 -12.462 1.00 0.00 H new ATOM 0 HE1 HIS A 131 31.693 10.396 -9.336 1.00 0.00 H new ATOM 0 HE2 HIS A 131 33.183 10.968 -11.338 1.00 0.00 H new ATOM 2056 N HIS A 132 35.616 5.065 -9.004 1.00 0.00 N ATOM 2057 CA HIS A 132 37.055 5.345 -8.736 1.00 0.00 C ATOM 2058 C HIS A 132 37.899 4.833 -9.905 1.00 0.00 C ATOM 2059 O HIS A 132 37.399 4.010 -10.655 1.00 0.00 O ATOM 2060 CB HIS A 132 37.481 4.635 -7.448 1.00 0.00 C ATOM 2061 CG HIS A 132 38.099 5.630 -6.504 1.00 0.00 C ATOM 2062 ND1 HIS A 132 37.341 6.362 -5.601 1.00 0.00 N ATOM 2063 CD2 HIS A 132 39.400 6.028 -6.312 1.00 0.00 C ATOM 2064 CE1 HIS A 132 38.184 7.156 -4.913 1.00 0.00 C ATOM 2065 NE2 HIS A 132 39.447 6.989 -5.309 1.00 0.00 N ATOM 2066 OXT HIS A 132 39.030 5.272 -10.030 1.00 0.00 O ATOM 0 H HIS A 132 35.307 4.120 -8.775 1.00 0.00 H new ATOM 0 HA HIS A 132 37.203 6.419 -8.624 1.00 0.00 H new ATOM 0 HB2 HIS A 132 36.618 4.161 -6.980 1.00 0.00 H new ATOM 0 HB3 HIS A 132 38.195 3.843 -7.676 1.00 0.00 H new ATOM 0 HD2 HIS A 132 40.254 5.652 -6.856 1.00 0.00 H new ATOM 0 HE1 HIS A 132 37.876 7.842 -4.138 1.00 0.00 H new ATOM 0 HE2 HIS A 132 40.274 7.467 -4.951 1.00 0.00 H new TER 2074 HIS A 132