USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 975 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 23 CYS SG : rot -159:sc= -4.43! USER MOD Set 1.2: A 97 CYS SG : rot 160:sc= 0.488 USER MOD Set 2.1: A 14 GLN : amide:sc= -2.98! K(o=-2.2!,f=1.2) USER MOD Set 2.2: A 127 HIS : no HE2:sc= 0.81 K(o=-2.2,f=-8.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.855 (180deg=0.494) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 4 GLN : amide:sc= -0.427 X(o=-0.43,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -5:sc= 0.278 USER MOD Single : A 26 SER OG : rot -55:sc= 0.215 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.72! C(o=-1.7!,f=-4!) USER MOD Single : A 35 MET CE :methyl -151:sc= -2.73! (180deg=-4.51!) USER MOD Single : A 40 GLN : amide:sc= 0.348 K(o=0.35,f=-0.2) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.198 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0639 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -130:sc= 0.955 (180deg=-0.0212) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 77 LYS NZ :NH3+ -145:sc= 0.43 (180deg=0.174) USER MOD Single : A 78 ASN : amide:sc= -1.62 K(o=-1.6,f=-0.68) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0.0596 K(o=0.06,f=-0.48) USER MOD Single : A 84 MET CE :methyl -153:sc= -0.0149 (180deg=-0.114) USER MOD Single : A 85 ASN : amide:sc= -0.47 K(o=-0.47,f=-4.1!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 152:sc= -0.769 (180deg=-2.03!) USER MOD Single : A 92 THR OG1 : rot 79:sc= 0.339 USER MOD Single : A 95 TYR OH : rot 42:sc= 0.321 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 64:sc= 0.092 USER MOD Single : A 112 TYR OH : rot -164:sc= -1.02 USER MOD Single : A 115 GLN : amide:sc= -0.501 K(o=-0.5,f=-2.7!) USER MOD Single : A 117 THR OG1 : rot 110:sc= 0.0491 USER MOD Single : A 118 GLN : amide:sc= -2.62! K(o=-2.6!,f=-0.69) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot -150:sc= -1.65 USER MOD Single : A 123 SER OG : rot 180:sc=-0.00659 USER MOD Single : A 126 HIS : no HD1:sc= -0.0392 X(o=-0.039,f=-0.039) USER MOD Single : A 128 HIS : no HE2:sc= 0.657 K(o=0.66,f=-2.2!) USER MOD Single : A 129 HIS : no HE2:sc= -0.403 K(o=-0.4,f=-1.5) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HD1:sc=-0.00879 X(o=-0.0088,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.359 -0.450 -2.910 1.00 0.00 N ATOM 2 CA MET A 1 -0.990 -0.173 -3.375 1.00 0.00 C ATOM 3 C MET A 1 -0.862 1.329 -3.662 1.00 0.00 C ATOM 4 O MET A 1 -1.385 1.821 -4.663 1.00 0.00 O ATOM 5 CB MET A 1 -0.655 -1.020 -4.635 1.00 0.00 C ATOM 6 CG MET A 1 -0.764 -2.542 -4.449 1.00 0.00 C ATOM 7 SD MET A 1 -2.442 -3.103 -4.055 1.00 0.00 S ATOM 8 CE MET A 1 -2.213 -4.872 -3.895 1.00 0.00 C ATOM 0 H1 MET A 1 -2.669 -1.374 -3.273 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.377 -0.463 -1.870 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.000 0.291 -3.258 1.00 0.00 H new ATOM 0 HA MET A 1 -0.274 -0.452 -2.602 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.323 -0.720 -5.443 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.359 -0.781 -4.955 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.429 -3.037 -5.361 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.089 -2.852 -3.651 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.166 -5.342 -3.654 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.837 -5.277 -4.835 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.496 -5.076 -3.099 1.00 0.00 H new ATOM 20 N GLN A 2 -0.209 2.056 -2.744 1.00 0.00 N ATOM 21 CA GLN A 2 -0.008 3.509 -2.853 1.00 0.00 C ATOM 22 C GLN A 2 1.192 3.801 -3.771 1.00 0.00 C ATOM 23 O GLN A 2 2.316 3.978 -3.294 1.00 0.00 O ATOM 24 CB GLN A 2 0.209 4.126 -1.441 1.00 0.00 C ATOM 25 CG GLN A 2 -0.937 3.858 -0.435 1.00 0.00 C ATOM 26 CD GLN A 2 -0.681 4.430 0.967 1.00 0.00 C ATOM 27 OE1 GLN A 2 -0.025 5.460 1.123 1.00 0.00 O ATOM 28 NE2 GLN A 2 -1.191 3.761 1.997 1.00 0.00 N ATOM 0 H GLN A 2 0.197 1.651 -1.900 1.00 0.00 H new ATOM 0 HA GLN A 2 -0.896 3.965 -3.290 1.00 0.00 H new ATOM 0 HB2 GLN A 2 1.137 3.733 -1.026 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.338 5.203 -1.546 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -1.860 4.285 -0.828 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.093 2.782 -0.355 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.730 2.910 1.836 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -1.043 4.099 2.948 1.00 0.00 H new ATOM 37 N LEU A 3 0.950 3.788 -5.098 1.00 0.00 N ATOM 38 CA LEU A 3 1.999 4.050 -6.104 1.00 0.00 C ATOM 39 C LEU A 3 2.074 5.575 -6.329 1.00 0.00 C ATOM 40 O LEU A 3 1.128 6.179 -6.846 1.00 0.00 O ATOM 41 CB LEU A 3 1.693 3.267 -7.427 1.00 0.00 C ATOM 42 CG LEU A 3 2.896 2.936 -8.385 1.00 0.00 C ATOM 43 CD1 LEU A 3 3.514 4.187 -9.036 1.00 0.00 C ATOM 44 CD2 LEU A 3 3.971 2.094 -7.664 1.00 0.00 C ATOM 0 H LEU A 3 0.032 3.598 -5.499 1.00 0.00 H new ATOM 0 HA LEU A 3 2.969 3.698 -5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.214 2.326 -7.155 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.963 3.844 -7.995 1.00 0.00 H new ATOM 0 HG LEU A 3 2.481 2.341 -9.199 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.338 3.890 -9.685 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.756 4.703 -9.626 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.886 4.855 -8.259 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.789 1.882 -8.352 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.353 2.648 -6.807 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.531 1.157 -7.323 1.00 0.00 H new ATOM 56 N GLN A 4 3.208 6.179 -5.921 1.00 0.00 N ATOM 57 CA GLN A 4 3.425 7.640 -5.977 1.00 0.00 C ATOM 58 C GLN A 4 4.316 8.002 -7.177 1.00 0.00 C ATOM 59 O GLN A 4 5.439 7.510 -7.287 1.00 0.00 O ATOM 60 CB GLN A 4 4.062 8.137 -4.646 1.00 0.00 C ATOM 61 CG GLN A 4 3.216 7.812 -3.392 1.00 0.00 C ATOM 62 CD GLN A 4 3.785 8.338 -2.065 1.00 0.00 C ATOM 63 OE1 GLN A 4 3.603 7.720 -1.013 1.00 0.00 O ATOM 64 NE2 GLN A 4 4.458 9.489 -2.089 1.00 0.00 N ATOM 0 H GLN A 4 4.003 5.665 -5.541 1.00 0.00 H new ATOM 0 HA GLN A 4 2.463 8.136 -6.105 1.00 0.00 H new ATOM 0 HB2 GLN A 4 5.048 7.686 -4.535 1.00 0.00 H new ATOM 0 HB3 GLN A 4 4.209 9.215 -4.704 1.00 0.00 H new ATOM 0 HG2 GLN A 4 2.217 8.226 -3.530 1.00 0.00 H new ATOM 0 HG3 GLN A 4 3.106 6.730 -3.318 1.00 0.00 H new ATOM 0 HE21 GLN A 4 4.595 9.981 -2.972 1.00 0.00 H new ATOM 0 HE22 GLN A 4 4.836 9.877 -1.225 1.00 0.00 H new ATOM 73 N LEU A 5 3.790 8.850 -8.076 1.00 0.00 N ATOM 74 CA LEU A 5 4.500 9.333 -9.276 1.00 0.00 C ATOM 75 C LEU A 5 4.837 10.830 -9.119 1.00 0.00 C ATOM 76 O LEU A 5 3.933 11.681 -9.123 1.00 0.00 O ATOM 77 CB LEU A 5 3.615 9.114 -10.529 1.00 0.00 C ATOM 78 CG LEU A 5 3.335 7.638 -10.940 1.00 0.00 C ATOM 79 CD1 LEU A 5 2.292 7.582 -12.070 1.00 0.00 C ATOM 80 CD2 LEU A 5 4.639 6.905 -11.346 1.00 0.00 C ATOM 0 H LEU A 5 2.846 9.226 -7.990 1.00 0.00 H new ATOM 0 HA LEU A 5 5.428 8.774 -9.394 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.658 9.607 -10.360 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.088 9.618 -11.372 1.00 0.00 H new ATOM 0 HG LEU A 5 2.928 7.119 -10.072 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.109 6.543 -12.345 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.362 8.037 -11.730 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.666 8.126 -12.937 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.407 5.878 -11.627 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.096 7.418 -12.192 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.332 6.903 -10.505 1.00 0.00 H new ATOM 92 N VAL A 6 6.134 11.140 -8.971 1.00 0.00 N ATOM 93 CA VAL A 6 6.630 12.516 -8.785 1.00 0.00 C ATOM 94 C VAL A 6 7.149 13.058 -10.129 1.00 0.00 C ATOM 95 O VAL A 6 8.232 12.671 -10.594 1.00 0.00 O ATOM 96 CB VAL A 6 7.768 12.578 -7.692 1.00 0.00 C ATOM 97 CG1 VAL A 6 8.279 14.032 -7.479 1.00 0.00 C ATOM 98 CG2 VAL A 6 7.276 11.955 -6.362 1.00 0.00 C ATOM 0 H VAL A 6 6.875 10.439 -8.977 1.00 0.00 H new ATOM 0 HA VAL A 6 5.805 13.136 -8.434 1.00 0.00 H new ATOM 0 HB VAL A 6 8.613 11.991 -8.053 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.061 14.035 -6.720 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.681 14.417 -8.416 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.453 14.664 -7.152 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.073 12.006 -5.620 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.408 12.507 -6.001 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.001 10.913 -6.528 1.00 0.00 H new ATOM 108 N GLU A 7 6.358 13.948 -10.744 1.00 0.00 N ATOM 109 CA GLU A 7 6.648 14.520 -12.074 1.00 0.00 C ATOM 110 C GLU A 7 7.463 15.822 -11.961 1.00 0.00 C ATOM 111 O GLU A 7 7.247 16.628 -11.047 1.00 0.00 O ATOM 112 CB GLU A 7 5.334 14.777 -12.844 1.00 0.00 C ATOM 113 CG GLU A 7 4.527 13.501 -13.142 1.00 0.00 C ATOM 114 CD GLU A 7 3.197 13.779 -13.847 1.00 0.00 C ATOM 115 OE1 GLU A 7 2.140 13.324 -13.359 1.00 0.00 O ATOM 116 OE2 GLU A 7 3.203 14.452 -14.898 1.00 0.00 O ATOM 0 H GLU A 7 5.492 14.296 -10.333 1.00 0.00 H new ATOM 0 HA GLU A 7 7.248 13.796 -12.625 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.713 15.461 -12.266 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.567 15.276 -13.785 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.128 12.836 -13.762 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.332 12.975 -12.207 1.00 0.00 H new ATOM 123 N SER A 8 8.400 15.994 -12.910 1.00 0.00 N ATOM 124 CA SER A 8 9.309 17.152 -13.014 1.00 0.00 C ATOM 125 C SER A 8 9.747 17.310 -14.481 1.00 0.00 C ATOM 126 O SER A 8 9.893 16.310 -15.196 1.00 0.00 O ATOM 127 CB SER A 8 10.556 16.954 -12.112 1.00 0.00 C ATOM 128 OG SER A 8 10.185 16.848 -10.749 1.00 0.00 O ATOM 0 H SER A 8 8.551 15.309 -13.650 1.00 0.00 H new ATOM 0 HA SER A 8 8.786 18.048 -12.680 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.091 16.055 -12.418 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.240 17.792 -12.242 1.00 0.00 H new ATOM 0 HG SER A 8 10.987 16.722 -10.200 1.00 0.00 H new ATOM 134 N GLY A 9 9.942 18.559 -14.924 1.00 0.00 N ATOM 135 CA GLY A 9 10.444 18.842 -16.273 1.00 0.00 C ATOM 136 C GLY A 9 9.720 20.008 -16.928 1.00 0.00 C ATOM 137 O GLY A 9 10.326 20.755 -17.693 1.00 0.00 O ATOM 0 H GLY A 9 9.759 19.392 -14.364 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.510 19.062 -16.222 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.331 17.953 -16.894 1.00 0.00 H new ATOM 141 N GLY A 10 8.418 20.155 -16.604 1.00 0.00 N ATOM 142 CA GLY A 10 7.545 21.163 -17.217 1.00 0.00 C ATOM 143 C GLY A 10 8.049 22.603 -17.057 1.00 0.00 C ATOM 144 O GLY A 10 8.338 23.045 -15.937 1.00 0.00 O ATOM 0 H GLY A 10 7.948 19.575 -15.909 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.440 20.941 -18.279 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.551 21.085 -16.776 1.00 0.00 H new ATOM 148 N GLY A 11 8.150 23.316 -18.193 1.00 0.00 N ATOM 149 CA GLY A 11 8.676 24.679 -18.241 1.00 0.00 C ATOM 150 C GLY A 11 8.350 25.368 -19.550 1.00 0.00 C ATOM 151 O GLY A 11 7.618 24.814 -20.386 1.00 0.00 O ATOM 0 H GLY A 11 7.866 22.955 -19.104 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.262 25.257 -17.415 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.757 24.655 -18.103 1.00 0.00 H new ATOM 155 N LEU A 12 8.871 26.592 -19.713 1.00 0.00 N ATOM 156 CA LEU A 12 8.673 27.387 -20.927 1.00 0.00 C ATOM 157 C LEU A 12 9.810 27.116 -21.921 1.00 0.00 C ATOM 158 O LEU A 12 10.988 27.331 -21.601 1.00 0.00 O ATOM 159 CB LEU A 12 8.616 28.897 -20.609 1.00 0.00 C ATOM 160 CG LEU A 12 8.167 29.813 -21.789 1.00 0.00 C ATOM 161 CD1 LEU A 12 6.665 29.650 -22.067 1.00 0.00 C ATOM 162 CD2 LEU A 12 8.548 31.294 -21.556 1.00 0.00 C ATOM 0 H LEU A 12 9.441 27.056 -19.006 1.00 0.00 H new ATOM 0 HA LEU A 12 7.720 27.093 -21.367 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.933 29.049 -19.773 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.603 29.219 -20.277 1.00 0.00 H new ATOM 0 HG LEU A 12 8.710 29.490 -22.677 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.376 30.299 -22.894 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.454 28.613 -22.328 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.098 29.923 -21.177 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.215 31.893 -22.404 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.068 31.654 -20.646 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.630 31.380 -21.454 1.00 0.00 H new ATOM 174 N VAL A 13 9.449 26.624 -23.108 1.00 0.00 N ATOM 175 CA VAL A 13 10.374 26.485 -24.251 1.00 0.00 C ATOM 176 C VAL A 13 9.784 27.208 -25.466 1.00 0.00 C ATOM 177 O VAL A 13 8.588 27.474 -25.509 1.00 0.00 O ATOM 178 CB VAL A 13 10.670 24.974 -24.604 1.00 0.00 C ATOM 179 CG1 VAL A 13 11.409 24.262 -23.441 1.00 0.00 C ATOM 180 CG2 VAL A 13 9.373 24.222 -24.983 1.00 0.00 C ATOM 0 H VAL A 13 8.501 26.307 -23.312 1.00 0.00 H new ATOM 0 HA VAL A 13 11.326 26.936 -23.971 1.00 0.00 H new ATOM 0 HB VAL A 13 11.327 24.961 -25.474 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.599 23.224 -23.712 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.356 24.766 -23.249 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.792 24.295 -22.543 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.610 23.185 -25.221 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.677 24.252 -24.145 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.917 24.698 -25.851 1.00 0.00 H new ATOM 190 N GLN A 14 10.641 27.561 -26.430 1.00 0.00 N ATOM 191 CA GLN A 14 10.194 28.092 -27.730 1.00 0.00 C ATOM 192 C GLN A 14 9.714 26.938 -28.629 1.00 0.00 C ATOM 193 O GLN A 14 10.154 25.786 -28.461 1.00 0.00 O ATOM 194 CB GLN A 14 11.312 28.907 -28.453 1.00 0.00 C ATOM 195 CG GLN A 14 12.552 28.113 -28.942 1.00 0.00 C ATOM 196 CD GLN A 14 13.438 27.567 -27.822 1.00 0.00 C ATOM 197 OE1 GLN A 14 14.333 28.252 -27.350 1.00 0.00 O ATOM 198 NE2 GLN A 14 13.155 26.353 -27.357 1.00 0.00 N ATOM 0 H GLN A 14 11.654 27.489 -26.337 1.00 0.00 H new ATOM 0 HA GLN A 14 9.369 28.777 -27.538 1.00 0.00 H new ATOM 0 HB2 GLN A 14 10.866 29.405 -29.314 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.655 29.689 -27.775 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.214 27.281 -29.559 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.153 28.760 -29.581 1.00 0.00 H new ATOM 0 HE21 GLN A 14 12.400 25.810 -27.776 1.00 0.00 H new ATOM 0 HE22 GLN A 14 13.693 25.966 -26.582 1.00 0.00 H new ATOM 207 N ALA A 15 8.794 27.260 -29.556 1.00 0.00 N ATOM 208 CA ALA A 15 8.319 26.326 -30.586 1.00 0.00 C ATOM 209 C ALA A 15 9.485 25.874 -31.481 1.00 0.00 C ATOM 210 O ALA A 15 10.295 26.697 -31.905 1.00 0.00 O ATOM 211 CB ALA A 15 7.199 26.971 -31.411 1.00 0.00 C ATOM 0 H ALA A 15 8.359 28.181 -29.610 1.00 0.00 H new ATOM 0 HA ALA A 15 7.911 25.440 -30.099 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.856 26.269 -32.171 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.368 27.231 -30.756 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.576 27.872 -31.894 1.00 0.00 H new ATOM 217 N GLY A 16 9.570 24.561 -31.733 1.00 0.00 N ATOM 218 CA GLY A 16 10.723 23.951 -32.396 1.00 0.00 C ATOM 219 C GLY A 16 11.739 23.400 -31.403 1.00 0.00 C ATOM 220 O GLY A 16 12.614 22.612 -31.779 1.00 0.00 O ATOM 0 H GLY A 16 8.840 23.895 -31.482 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.381 23.146 -33.046 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.206 24.692 -33.033 1.00 0.00 H new ATOM 224 N GLY A 17 11.611 23.815 -30.127 1.00 0.00 N ATOM 225 CA GLY A 17 12.537 23.413 -29.066 1.00 0.00 C ATOM 226 C GLY A 17 12.226 22.043 -28.468 1.00 0.00 C ATOM 227 O GLY A 17 11.334 21.322 -28.946 1.00 0.00 O ATOM 0 H GLY A 17 10.865 24.435 -29.811 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.551 23.404 -29.465 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.513 24.160 -28.273 1.00 0.00 H new ATOM 231 N SER A 18 12.967 21.693 -27.410 1.00 0.00 N ATOM 232 CA SER A 18 12.859 20.399 -26.718 1.00 0.00 C ATOM 233 C SER A 18 12.650 20.616 -25.208 1.00 0.00 C ATOM 234 O SER A 18 13.065 21.642 -24.658 1.00 0.00 O ATOM 235 CB SER A 18 14.144 19.578 -26.969 1.00 0.00 C ATOM 236 OG SER A 18 15.299 20.296 -26.544 1.00 0.00 O ATOM 0 H SER A 18 13.670 22.309 -27.003 1.00 0.00 H new ATOM 0 HA SER A 18 12.000 19.853 -27.107 1.00 0.00 H new ATOM 0 HB2 SER A 18 14.084 18.630 -26.435 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.228 19.342 -28.030 1.00 0.00 H new ATOM 0 HG SER A 18 16.100 19.756 -26.711 1.00 0.00 H new ATOM 242 N LEU A 19 12.021 19.629 -24.550 1.00 0.00 N ATOM 243 CA LEU A 19 11.784 19.638 -23.102 1.00 0.00 C ATOM 244 C LEU A 19 11.647 18.187 -22.618 1.00 0.00 C ATOM 245 O LEU A 19 10.815 17.439 -23.134 1.00 0.00 O ATOM 246 CB LEU A 19 10.510 20.461 -22.758 1.00 0.00 C ATOM 247 CG LEU A 19 10.257 20.722 -21.243 1.00 0.00 C ATOM 248 CD1 LEU A 19 11.418 21.521 -20.607 1.00 0.00 C ATOM 249 CD2 LEU A 19 8.899 21.421 -21.020 1.00 0.00 C ATOM 0 H LEU A 19 11.660 18.796 -25.015 1.00 0.00 H new ATOM 0 HA LEU A 19 12.624 20.113 -22.595 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.574 21.423 -23.267 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.644 19.941 -23.167 1.00 0.00 H new ATOM 0 HG LEU A 19 10.217 19.755 -20.741 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.210 21.686 -19.550 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.346 20.959 -20.711 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.517 22.482 -21.111 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.748 21.591 -19.954 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.891 22.376 -21.545 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.098 20.790 -21.404 1.00 0.00 H new ATOM 261 N ARG A 20 12.489 17.780 -21.656 1.00 0.00 N ATOM 262 CA ARG A 20 12.476 16.409 -21.125 1.00 0.00 C ATOM 263 C ARG A 20 11.682 16.348 -19.815 1.00 0.00 C ATOM 264 O ARG A 20 12.050 16.984 -18.821 1.00 0.00 O ATOM 265 CB ARG A 20 13.908 15.874 -20.876 1.00 0.00 C ATOM 266 CG ARG A 20 13.959 14.354 -20.525 1.00 0.00 C ATOM 267 CD ARG A 20 14.946 14.025 -19.395 1.00 0.00 C ATOM 268 NE ARG A 20 14.504 14.568 -18.092 1.00 0.00 N ATOM 269 CZ ARG A 20 15.228 14.552 -16.959 1.00 0.00 C ATOM 270 NH1 ARG A 20 16.476 14.089 -16.949 1.00 0.00 N ATOM 271 NH2 ARG A 20 14.701 15.014 -15.836 1.00 0.00 N ATOM 0 H ARG A 20 13.191 18.384 -21.228 1.00 0.00 H new ATOM 0 HA ARG A 20 11.999 15.780 -21.877 1.00 0.00 H new ATOM 0 HB2 ARG A 20 14.513 16.053 -21.765 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.362 16.441 -20.063 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.962 14.021 -20.236 1.00 0.00 H new ATOM 0 HG3 ARG A 20 14.237 13.791 -21.416 1.00 0.00 H new ATOM 0 HD2 ARG A 20 15.059 12.944 -19.317 1.00 0.00 H new ATOM 0 HD3 ARG A 20 15.927 14.431 -19.642 1.00 0.00 H new ATOM 0 HE ARG A 20 13.576 14.988 -18.050 1.00 0.00 H new ATOM 0 HH11 ARG A 20 16.897 13.739 -17.810 1.00 0.00 H new ATOM 0 HH12 ARG A 20 17.011 14.084 -16.081 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.749 15.380 -15.832 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.247 15.004 -14.974 1.00 0.00 H new ATOM 285 N LEU A 21 10.593 15.581 -19.834 1.00 0.00 N ATOM 286 CA LEU A 21 9.792 15.261 -18.649 1.00 0.00 C ATOM 287 C LEU A 21 10.357 13.994 -17.983 1.00 0.00 C ATOM 288 O LEU A 21 11.013 13.171 -18.642 1.00 0.00 O ATOM 289 CB LEU A 21 8.292 15.068 -19.034 1.00 0.00 C ATOM 290 CG LEU A 21 7.532 16.323 -19.591 1.00 0.00 C ATOM 291 CD1 LEU A 21 7.645 17.513 -18.634 1.00 0.00 C ATOM 292 CD2 LEU A 21 7.998 16.708 -21.008 1.00 0.00 C ATOM 0 H LEU A 21 10.234 15.156 -20.689 1.00 0.00 H new ATOM 0 HA LEU A 21 9.846 16.089 -17.942 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.233 14.277 -19.782 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.759 14.713 -18.152 1.00 0.00 H new ATOM 0 HG LEU A 21 6.481 16.045 -19.664 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.108 18.366 -19.049 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.213 17.247 -17.669 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.695 17.775 -18.501 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.443 17.582 -21.349 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.063 16.939 -20.990 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.819 15.876 -21.689 1.00 0.00 H new ATOM 304 N SER A 22 10.106 13.860 -16.681 1.00 0.00 N ATOM 305 CA SER A 22 10.592 12.744 -15.863 1.00 0.00 C ATOM 306 C SER A 22 9.610 12.504 -14.713 1.00 0.00 C ATOM 307 O SER A 22 9.189 13.452 -14.052 1.00 0.00 O ATOM 308 CB SER A 22 12.014 13.053 -15.330 1.00 0.00 C ATOM 309 OG SER A 22 12.085 14.343 -14.728 1.00 0.00 O ATOM 0 H SER A 22 9.550 14.534 -16.154 1.00 0.00 H new ATOM 0 HA SER A 22 10.654 11.839 -16.468 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.301 12.295 -14.601 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.730 12.995 -16.150 1.00 0.00 H new ATOM 0 HG SER A 22 11.229 14.806 -14.845 1.00 0.00 H new ATOM 315 N CYS A 23 9.259 11.238 -14.479 1.00 0.00 N ATOM 316 CA CYS A 23 8.292 10.840 -13.450 1.00 0.00 C ATOM 317 C CYS A 23 8.882 9.694 -12.622 1.00 0.00 C ATOM 318 O CYS A 23 8.927 8.545 -13.073 1.00 0.00 O ATOM 319 CB CYS A 23 6.967 10.419 -14.112 1.00 0.00 C ATOM 320 SG CYS A 23 5.671 9.985 -12.944 1.00 0.00 S ATOM 0 H CYS A 23 9.641 10.451 -15.003 1.00 0.00 H new ATOM 0 HA CYS A 23 8.086 11.681 -12.788 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.614 11.234 -14.744 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.154 9.566 -14.765 1.00 0.00 H new ATOM 0 HG CYS A 23 4.785 9.241 -13.536 1.00 0.00 H new ATOM 326 N VAL A 24 9.369 10.031 -11.427 1.00 0.00 N ATOM 327 CA VAL A 24 10.045 9.086 -10.528 1.00 0.00 C ATOM 328 C VAL A 24 9.006 8.382 -9.641 1.00 0.00 C ATOM 329 O VAL A 24 8.207 9.052 -8.974 1.00 0.00 O ATOM 330 CB VAL A 24 11.095 9.842 -9.634 1.00 0.00 C ATOM 331 CG1 VAL A 24 11.934 8.859 -8.785 1.00 0.00 C ATOM 332 CG2 VAL A 24 12.008 10.755 -10.493 1.00 0.00 C ATOM 0 H VAL A 24 9.306 10.976 -11.049 1.00 0.00 H new ATOM 0 HA VAL A 24 10.570 8.340 -11.126 1.00 0.00 H new ATOM 0 HB VAL A 24 10.538 10.476 -8.945 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.648 9.418 -8.181 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.274 8.288 -8.132 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.472 8.177 -9.444 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.724 11.265 -9.848 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.545 10.149 -11.223 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.398 11.494 -11.013 1.00 0.00 H new ATOM 342 N ALA A 25 9.025 7.039 -9.611 1.00 0.00 N ATOM 343 CA ALA A 25 8.050 6.264 -8.832 1.00 0.00 C ATOM 344 C ALA A 25 8.566 6.067 -7.396 1.00 0.00 C ATOM 345 O ALA A 25 9.389 5.179 -7.140 1.00 0.00 O ATOM 346 CB ALA A 25 7.768 4.915 -9.523 1.00 0.00 C ATOM 0 H ALA A 25 9.704 6.470 -10.117 1.00 0.00 H new ATOM 0 HA ALA A 25 7.109 6.812 -8.780 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.044 4.350 -8.936 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.366 5.094 -10.520 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.694 4.346 -9.602 1.00 0.00 H new ATOM 352 N SER A 26 8.076 6.960 -6.497 1.00 0.00 N ATOM 353 CA SER A 26 8.336 6.960 -5.040 1.00 0.00 C ATOM 354 C SER A 26 9.827 6.699 -4.698 1.00 0.00 C ATOM 355 O SER A 26 10.169 5.792 -3.924 1.00 0.00 O ATOM 356 CB SER A 26 7.376 5.967 -4.347 1.00 0.00 C ATOM 357 OG SER A 26 7.499 6.001 -2.938 1.00 0.00 O ATOM 0 H SER A 26 7.467 7.727 -6.782 1.00 0.00 H new ATOM 0 HA SER A 26 8.134 7.958 -4.651 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.349 6.202 -4.626 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.580 4.957 -4.704 1.00 0.00 H new ATOM 0 HG SER A 26 8.434 5.847 -2.687 1.00 0.00 H new ATOM 363 N GLY A 27 10.706 7.513 -5.310 1.00 0.00 N ATOM 364 CA GLY A 27 12.155 7.344 -5.192 1.00 0.00 C ATOM 365 C GLY A 27 12.653 6.188 -6.056 1.00 0.00 C ATOM 366 O GLY A 27 13.160 6.405 -7.157 1.00 0.00 O ATOM 0 H GLY A 27 10.428 8.300 -5.896 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.656 8.265 -5.490 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.418 7.161 -4.150 1.00 0.00 H new ATOM 370 N ARG A 28 12.470 4.952 -5.555 1.00 0.00 N ATOM 371 CA ARG A 28 12.840 3.705 -6.249 1.00 0.00 C ATOM 372 C ARG A 28 11.885 2.580 -5.805 1.00 0.00 C ATOM 373 O ARG A 28 12.145 1.892 -4.811 1.00 0.00 O ATOM 374 CB ARG A 28 14.333 3.316 -5.963 1.00 0.00 C ATOM 375 CG ARG A 28 15.385 4.149 -6.734 1.00 0.00 C ATOM 376 CD ARG A 28 16.835 3.866 -6.308 1.00 0.00 C ATOM 377 NE ARG A 28 17.118 4.368 -4.948 1.00 0.00 N ATOM 378 CZ ARG A 28 17.778 5.509 -4.659 1.00 0.00 C ATOM 379 NH1 ARG A 28 18.249 6.296 -5.626 1.00 0.00 N ATOM 380 NH2 ARG A 28 17.957 5.858 -3.393 1.00 0.00 N ATOM 0 H ARG A 28 12.053 4.790 -4.639 1.00 0.00 H new ATOM 0 HA ARG A 28 12.748 3.856 -7.325 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.521 3.420 -4.894 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.472 2.264 -6.211 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.284 3.947 -7.800 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.174 5.208 -6.588 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.021 2.793 -6.345 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.519 4.333 -7.017 1.00 0.00 H new ATOM 0 HE ARG A 28 16.788 3.806 -4.163 1.00 0.00 H new ATOM 0 HH11 ARG A 28 18.113 6.040 -6.604 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.745 7.155 -5.388 1.00 0.00 H new ATOM 0 HH21 ARG A 28 17.597 5.266 -2.645 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.455 6.719 -3.167 1.00 0.00 H new ATOM 394 N THR A 29 10.731 2.475 -6.478 1.00 0.00 N ATOM 395 CA THR A 29 9.822 1.319 -6.355 1.00 0.00 C ATOM 396 C THR A 29 9.243 0.992 -7.739 1.00 0.00 C ATOM 397 O THR A 29 9.010 1.899 -8.549 1.00 0.00 O ATOM 398 CB THR A 29 8.670 1.562 -5.318 1.00 0.00 C ATOM 399 OG1 THR A 29 7.969 0.328 -5.073 1.00 0.00 O ATOM 400 CG2 THR A 29 7.663 2.631 -5.783 1.00 0.00 C ATOM 0 H THR A 29 10.398 3.189 -7.125 1.00 0.00 H new ATOM 0 HA THR A 29 10.399 0.474 -5.978 1.00 0.00 H new ATOM 0 HB THR A 29 9.138 1.928 -4.404 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.251 0.483 -4.424 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.889 2.756 -5.025 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.181 3.578 -5.932 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.205 2.316 -6.721 1.00 0.00 H new ATOM 408 N PHE A 30 9.023 -0.301 -8.019 1.00 0.00 N ATOM 409 CA PHE A 30 8.436 -0.737 -9.292 1.00 0.00 C ATOM 410 C PHE A 30 7.241 -1.652 -9.016 1.00 0.00 C ATOM 411 O PHE A 30 7.394 -2.725 -8.426 1.00 0.00 O ATOM 412 CB PHE A 30 9.502 -1.464 -10.159 1.00 0.00 C ATOM 413 CG PHE A 30 9.012 -1.877 -11.554 1.00 0.00 C ATOM 414 CD1 PHE A 30 8.670 -3.203 -11.841 1.00 0.00 C ATOM 415 CD2 PHE A 30 8.884 -0.932 -12.574 1.00 0.00 C ATOM 416 CE1 PHE A 30 8.213 -3.567 -13.097 1.00 0.00 C ATOM 417 CE2 PHE A 30 8.430 -1.298 -13.830 1.00 0.00 C ATOM 418 CZ PHE A 30 8.096 -2.614 -14.091 1.00 0.00 C ATOM 0 H PHE A 30 9.244 -1.064 -7.379 1.00 0.00 H new ATOM 0 HA PHE A 30 8.090 0.135 -9.848 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.368 -0.812 -10.270 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.839 -2.354 -9.628 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.764 -3.955 -11.071 1.00 0.00 H new ATOM 0 HD2 PHE A 30 9.143 0.099 -12.381 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.948 -4.594 -13.299 1.00 0.00 H new ATOM 0 HE2 PHE A 30 8.337 -0.554 -14.607 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.744 -2.897 -15.072 1.00 0.00 H new ATOM 428 N ARG A 31 6.056 -1.207 -9.451 1.00 0.00 N ATOM 429 CA ARG A 31 4.813 -2.011 -9.483 1.00 0.00 C ATOM 430 C ARG A 31 4.003 -1.653 -10.744 1.00 0.00 C ATOM 431 O ARG A 31 2.902 -2.176 -10.961 1.00 0.00 O ATOM 432 CB ARG A 31 3.935 -1.770 -8.218 1.00 0.00 C ATOM 433 CG ARG A 31 4.558 -2.225 -6.876 1.00 0.00 C ATOM 434 CD ARG A 31 3.526 -2.286 -5.740 1.00 0.00 C ATOM 435 NE ARG A 31 2.427 -3.220 -6.068 1.00 0.00 N ATOM 436 CZ ARG A 31 2.167 -4.384 -5.443 1.00 0.00 C ATOM 437 NH1 ARG A 31 2.909 -4.800 -4.416 1.00 0.00 N ATOM 438 NH2 ARG A 31 1.164 -5.136 -5.870 1.00 0.00 N ATOM 0 H ARG A 31 5.924 -0.258 -9.800 1.00 0.00 H new ATOM 0 HA ARG A 31 5.095 -3.064 -9.500 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.710 -0.706 -8.151 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.986 -2.289 -8.352 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.011 -3.208 -7.004 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.358 -1.539 -6.599 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.014 -2.603 -4.818 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.120 -1.291 -5.560 1.00 0.00 H new ATOM 0 HE ARG A 31 1.810 -2.959 -6.837 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.691 -4.233 -4.089 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.694 -5.685 -3.957 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.600 -4.831 -6.663 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.956 -6.020 -5.406 1.00 0.00 H new ATOM 452 N SER A 32 4.562 -0.744 -11.560 1.00 0.00 N ATOM 453 CA SER A 32 3.907 -0.203 -12.745 1.00 0.00 C ATOM 454 C SER A 32 4.058 -1.180 -13.931 1.00 0.00 C ATOM 455 O SER A 32 5.071 -1.179 -14.636 1.00 0.00 O ATOM 456 CB SER A 32 4.509 1.184 -13.059 1.00 0.00 C ATOM 457 OG SER A 32 4.480 2.033 -11.918 1.00 0.00 O ATOM 0 H SER A 32 5.496 -0.364 -11.406 1.00 0.00 H new ATOM 0 HA SER A 32 2.839 -0.083 -12.564 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.537 1.067 -13.401 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.953 1.648 -13.874 1.00 0.00 H new ATOM 0 HG SER A 32 4.869 2.903 -12.147 1.00 0.00 H new ATOM 463 N ASN A 33 3.062 -2.062 -14.070 1.00 0.00 N ATOM 464 CA ASN A 33 2.955 -3.029 -15.182 1.00 0.00 C ATOM 465 C ASN A 33 2.305 -2.358 -16.407 1.00 0.00 C ATOM 466 O ASN A 33 2.528 -2.765 -17.555 1.00 0.00 O ATOM 467 CB ASN A 33 2.117 -4.243 -14.713 1.00 0.00 C ATOM 468 CG ASN A 33 2.779 -5.025 -13.577 1.00 0.00 C ATOM 469 OD1 ASN A 33 3.515 -5.985 -13.813 1.00 0.00 O ATOM 470 ND2 ASN A 33 2.537 -4.618 -12.338 1.00 0.00 N ATOM 0 H ASN A 33 2.292 -2.130 -13.405 1.00 0.00 H new ATOM 0 HA ASN A 33 3.949 -3.370 -15.472 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.137 -3.896 -14.385 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.952 -4.911 -15.558 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.965 -5.103 -11.549 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.923 -3.820 -12.174 1.00 0.00 H new ATOM 477 N ALA A 34 1.498 -1.328 -16.120 1.00 0.00 N ATOM 478 CA ALA A 34 0.851 -0.461 -17.113 1.00 0.00 C ATOM 479 C ALA A 34 1.191 0.996 -16.767 1.00 0.00 C ATOM 480 O ALA A 34 1.280 1.335 -15.585 1.00 0.00 O ATOM 481 CB ALA A 34 -0.676 -0.690 -17.108 1.00 0.00 C ATOM 0 H ALA A 34 1.271 -1.067 -15.160 1.00 0.00 H new ATOM 0 HA ALA A 34 1.213 -0.694 -18.115 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.144 -0.041 -17.849 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.889 -1.731 -17.352 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.075 -0.460 -16.120 1.00 0.00 H new ATOM 487 N MET A 35 1.423 1.831 -17.790 1.00 0.00 N ATOM 488 CA MET A 35 1.754 3.271 -17.632 1.00 0.00 C ATOM 489 C MET A 35 1.282 4.041 -18.862 1.00 0.00 C ATOM 490 O MET A 35 1.072 3.449 -19.920 1.00 0.00 O ATOM 491 CB MET A 35 3.292 3.499 -17.422 1.00 0.00 C ATOM 492 CG MET A 35 3.815 3.253 -15.996 1.00 0.00 C ATOM 493 SD MET A 35 5.581 2.866 -15.946 1.00 0.00 S ATOM 494 CE MET A 35 5.597 1.249 -16.730 1.00 0.00 C ATOM 0 H MET A 35 1.388 1.531 -18.764 1.00 0.00 H new ATOM 0 HA MET A 35 1.242 3.636 -16.742 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.834 2.846 -18.106 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.530 4.524 -17.705 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.626 4.138 -15.388 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.256 2.432 -15.547 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.432 0.665 -16.343 1.00 0.00 H new ATOM 0 HE2 MET A 35 4.662 0.731 -16.515 1.00 0.00 H new ATOM 0 HE3 MET A 35 5.706 1.368 -17.808 1.00 0.00 H new ATOM 504 N GLY A 36 1.164 5.372 -18.729 1.00 0.00 N ATOM 505 CA GLY A 36 0.771 6.214 -19.851 1.00 0.00 C ATOM 506 C GLY A 36 0.960 7.696 -19.585 1.00 0.00 C ATOM 507 O GLY A 36 0.688 8.169 -18.480 1.00 0.00 O ATOM 0 H GLY A 36 1.335 5.877 -17.860 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.353 5.932 -20.729 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.276 6.025 -20.089 1.00 0.00 H new ATOM 511 N TRP A 37 1.461 8.429 -20.597 1.00 0.00 N ATOM 512 CA TRP A 37 1.459 9.899 -20.598 1.00 0.00 C ATOM 513 C TRP A 37 0.187 10.378 -21.309 1.00 0.00 C ATOM 514 O TRP A 37 -0.112 9.944 -22.430 1.00 0.00 O ATOM 515 CB TRP A 37 2.715 10.481 -21.301 1.00 0.00 C ATOM 516 CG TRP A 37 4.024 10.200 -20.588 1.00 0.00 C ATOM 517 CD1 TRP A 37 4.877 9.160 -20.821 1.00 0.00 C ATOM 518 CD2 TRP A 37 4.628 10.981 -19.537 1.00 0.00 C ATOM 519 NE1 TRP A 37 5.966 9.241 -19.994 1.00 0.00 N ATOM 520 CE2 TRP A 37 5.835 10.345 -19.190 1.00 0.00 C ATOM 521 CE3 TRP A 37 4.263 12.155 -18.856 1.00 0.00 C ATOM 522 CZ2 TRP A 37 6.685 10.841 -18.202 1.00 0.00 C ATOM 523 CZ3 TRP A 37 5.107 12.648 -17.872 1.00 0.00 C ATOM 524 CH2 TRP A 37 6.305 11.988 -17.551 1.00 0.00 C ATOM 0 H TRP A 37 1.877 8.018 -21.433 1.00 0.00 H new ATOM 0 HA TRP A 37 1.480 10.251 -19.567 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.772 10.074 -22.311 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.594 11.560 -21.398 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.716 8.383 -21.554 1.00 0.00 H new ATOM 0 HE1 TRP A 37 6.748 8.586 -19.978 1.00 0.00 H new ATOM 0 HE3 TRP A 37 3.341 12.664 -19.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 7.610 10.340 -17.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 4.840 13.552 -17.345 1.00 0.00 H new ATOM 0 HH2 TRP A 37 6.940 12.391 -16.776 1.00 0.00 H new ATOM 535 N PHE A 38 -0.571 11.234 -20.627 1.00 0.00 N ATOM 536 CA PHE A 38 -1.789 11.853 -21.154 1.00 0.00 C ATOM 537 C PHE A 38 -1.568 13.369 -21.238 1.00 0.00 C ATOM 538 O PHE A 38 -0.846 13.938 -20.422 1.00 0.00 O ATOM 539 CB PHE A 38 -3.010 11.545 -20.237 1.00 0.00 C ATOM 540 CG PHE A 38 -3.332 10.058 -20.066 1.00 0.00 C ATOM 541 CD1 PHE A 38 -4.391 9.467 -20.751 1.00 0.00 C ATOM 542 CD2 PHE A 38 -2.569 9.248 -19.222 1.00 0.00 C ATOM 543 CE1 PHE A 38 -4.671 8.121 -20.605 1.00 0.00 C ATOM 544 CE2 PHE A 38 -2.854 7.904 -19.076 1.00 0.00 C ATOM 545 CZ PHE A 38 -3.903 7.342 -19.767 1.00 0.00 C ATOM 0 H PHE A 38 -0.353 11.524 -19.674 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.001 11.446 -22.143 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.825 11.977 -19.253 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.887 12.047 -20.645 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.003 10.069 -21.406 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.743 9.679 -18.675 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.493 7.679 -21.149 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.253 7.294 -18.419 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.124 6.291 -19.653 1.00 0.00 H new ATOM 555 N ARG A 39 -2.188 14.005 -22.233 1.00 0.00 N ATOM 556 CA ARG A 39 -2.221 15.472 -22.361 1.00 0.00 C ATOM 557 C ARG A 39 -3.580 15.960 -21.895 1.00 0.00 C ATOM 558 O ARG A 39 -4.581 15.318 -22.161 1.00 0.00 O ATOM 559 CB ARG A 39 -1.968 15.908 -23.840 1.00 0.00 C ATOM 560 CG ARG A 39 -2.920 15.303 -24.931 1.00 0.00 C ATOM 561 CD ARG A 39 -3.889 16.329 -25.581 1.00 0.00 C ATOM 562 NE ARG A 39 -4.985 16.742 -24.678 1.00 0.00 N ATOM 563 CZ ARG A 39 -6.229 17.053 -25.052 1.00 0.00 C ATOM 564 NH1 ARG A 39 -6.568 17.071 -26.330 1.00 0.00 N ATOM 565 NH2 ARG A 39 -7.135 17.337 -24.133 1.00 0.00 N ATOM 0 H ARG A 39 -2.685 13.519 -22.979 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.433 15.910 -21.749 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.041 16.994 -23.891 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.943 15.645 -24.101 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.312 14.849 -25.714 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.507 14.503 -24.480 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.325 17.211 -25.885 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.315 15.895 -26.486 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.772 16.794 -23.682 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.876 16.846 -27.044 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.522 17.310 -26.601 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.883 17.318 -23.145 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.087 17.575 -24.412 1.00 0.00 H new ATOM 579 N GLN A 40 -3.625 17.095 -21.219 1.00 0.00 N ATOM 580 CA GLN A 40 -4.884 17.707 -20.784 1.00 0.00 C ATOM 581 C GLN A 40 -4.761 19.218 -20.946 1.00 0.00 C ATOM 582 O GLN A 40 -3.815 19.819 -20.461 1.00 0.00 O ATOM 583 CB GLN A 40 -5.175 17.303 -19.310 1.00 0.00 C ATOM 584 CG GLN A 40 -6.484 17.863 -18.726 1.00 0.00 C ATOM 585 CD GLN A 40 -6.807 17.351 -17.313 1.00 0.00 C ATOM 586 OE1 GLN A 40 -5.911 17.046 -16.519 1.00 0.00 O ATOM 587 NE2 GLN A 40 -8.094 17.257 -16.993 1.00 0.00 N ATOM 0 H GLN A 40 -2.794 17.624 -20.953 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.721 17.358 -21.389 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.203 16.215 -19.247 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.345 17.637 -18.687 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -6.423 18.951 -18.702 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -7.307 17.604 -19.392 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.809 17.517 -17.673 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -8.367 16.925 -16.068 1.00 0.00 H new ATOM 596 N ALA A 41 -5.738 19.822 -21.624 1.00 0.00 N ATOM 597 CA ALA A 41 -5.765 21.270 -21.875 1.00 0.00 C ATOM 598 C ALA A 41 -6.593 21.966 -20.773 1.00 0.00 C ATOM 599 O ALA A 41 -7.349 21.279 -20.075 1.00 0.00 O ATOM 600 CB ALA A 41 -6.332 21.523 -23.283 1.00 0.00 C ATOM 0 H ALA A 41 -6.536 19.323 -22.017 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.760 21.690 -21.840 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.356 22.595 -23.478 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.699 21.033 -24.023 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.343 21.120 -23.346 1.00 0.00 H new ATOM 606 N PRO A 42 -6.439 23.320 -20.560 1.00 0.00 N ATOM 607 CA PRO A 42 -7.254 24.087 -19.575 1.00 0.00 C ATOM 608 C PRO A 42 -8.783 23.887 -19.771 1.00 0.00 C ATOM 609 O PRO A 42 -9.345 24.290 -20.798 1.00 0.00 O ATOM 610 CB PRO A 42 -6.824 25.574 -19.812 1.00 0.00 C ATOM 611 CG PRO A 42 -6.076 25.567 -21.117 1.00 0.00 C ATOM 612 CD PRO A 42 -5.427 24.208 -21.198 1.00 0.00 C ATOM 0 HA PRO A 42 -7.077 23.753 -18.553 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.692 26.232 -19.860 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.194 25.936 -18.999 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.750 25.731 -21.957 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.330 26.361 -21.147 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.226 23.917 -22.229 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.475 24.182 -20.668 1.00 0.00 H new ATOM 620 N GLY A 43 -9.423 23.219 -18.788 1.00 0.00 N ATOM 621 CA GLY A 43 -10.869 22.957 -18.821 1.00 0.00 C ATOM 622 C GLY A 43 -11.269 21.859 -19.801 1.00 0.00 C ATOM 623 O GLY A 43 -12.418 21.812 -20.262 1.00 0.00 O ATOM 0 H GLY A 43 -8.954 22.852 -17.960 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.202 22.679 -17.821 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.390 23.877 -19.086 1.00 0.00 H new ATOM 627 N LYS A 44 -10.313 20.974 -20.119 1.00 0.00 N ATOM 628 CA LYS A 44 -10.503 19.872 -21.079 1.00 0.00 C ATOM 629 C LYS A 44 -10.145 18.529 -20.438 1.00 0.00 C ATOM 630 O LYS A 44 -9.649 18.477 -19.307 1.00 0.00 O ATOM 631 CB LYS A 44 -9.650 20.108 -22.360 1.00 0.00 C ATOM 632 CG LYS A 44 -10.106 21.297 -23.266 1.00 0.00 C ATOM 633 CD LYS A 44 -11.049 20.881 -24.436 1.00 0.00 C ATOM 634 CE LYS A 44 -12.377 20.242 -23.988 1.00 0.00 C ATOM 635 NZ LYS A 44 -13.240 19.871 -25.135 1.00 0.00 N ATOM 0 H LYS A 44 -9.377 21.002 -19.714 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.555 19.847 -21.365 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.616 20.279 -22.060 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.662 19.195 -22.956 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.616 22.036 -22.648 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.223 21.783 -23.681 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.269 21.762 -25.039 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.521 20.178 -25.080 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.167 19.354 -23.392 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.913 20.939 -23.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.121 19.445 -24.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.464 20.721 -25.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.741 19.186 -25.737 1.00 0.00 H new ATOM 649 N GLU A 45 -10.422 17.455 -21.188 1.00 0.00 N ATOM 650 CA GLU A 45 -10.152 16.062 -20.784 1.00 0.00 C ATOM 651 C GLU A 45 -8.657 15.709 -20.907 1.00 0.00 C ATOM 652 O GLU A 45 -7.891 16.422 -21.575 1.00 0.00 O ATOM 653 CB GLU A 45 -11.002 15.073 -21.648 1.00 0.00 C ATOM 654 CG GLU A 45 -10.622 14.972 -23.156 1.00 0.00 C ATOM 655 CD GLU A 45 -10.902 16.253 -23.972 1.00 0.00 C ATOM 656 OE1 GLU A 45 -12.063 16.470 -24.378 1.00 0.00 O ATOM 657 OE2 GLU A 45 -9.977 17.067 -24.166 1.00 0.00 O ATOM 0 H GLU A 45 -10.849 17.527 -22.112 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.434 15.966 -19.736 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.923 14.079 -21.208 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.048 15.370 -21.578 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.562 14.730 -23.236 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.173 14.144 -23.602 1.00 0.00 H new ATOM 664 N ARG A 46 -8.251 14.595 -20.254 1.00 0.00 N ATOM 665 CA ARG A 46 -6.905 14.019 -20.437 1.00 0.00 C ATOM 666 C ARG A 46 -6.964 12.942 -21.545 1.00 0.00 C ATOM 667 O ARG A 46 -7.535 11.859 -21.373 1.00 0.00 O ATOM 668 CB ARG A 46 -6.256 13.493 -19.099 1.00 0.00 C ATOM 669 CG ARG A 46 -6.784 12.171 -18.477 1.00 0.00 C ATOM 670 CD ARG A 46 -8.219 12.262 -17.938 1.00 0.00 C ATOM 671 NE ARG A 46 -8.686 10.972 -17.391 1.00 0.00 N ATOM 672 CZ ARG A 46 -9.836 10.772 -16.732 1.00 0.00 C ATOM 673 NH1 ARG A 46 -10.671 11.773 -16.485 1.00 0.00 N ATOM 674 NH2 ARG A 46 -10.146 9.558 -16.315 1.00 0.00 N ATOM 0 H ARG A 46 -8.838 14.080 -19.597 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.233 14.816 -20.756 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.188 13.370 -19.277 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.366 14.277 -18.349 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.739 11.384 -19.230 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.120 11.873 -17.665 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.267 13.024 -17.160 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.888 12.580 -18.738 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.080 10.162 -17.527 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.443 12.717 -16.798 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.541 11.599 -15.982 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.512 8.780 -16.495 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.019 9.399 -15.813 1.00 0.00 H new ATOM 688 N GLU A 47 -6.408 13.293 -22.705 1.00 0.00 N ATOM 689 CA GLU A 47 -6.362 12.437 -23.891 1.00 0.00 C ATOM 690 C GLU A 47 -5.047 11.634 -23.911 1.00 0.00 C ATOM 691 O GLU A 47 -3.971 12.179 -23.655 1.00 0.00 O ATOM 692 CB GLU A 47 -6.499 13.308 -25.175 1.00 0.00 C ATOM 693 CG GLU A 47 -6.357 12.558 -26.521 1.00 0.00 C ATOM 694 CD GLU A 47 -7.406 11.446 -26.727 1.00 0.00 C ATOM 695 OE1 GLU A 47 -7.146 10.275 -26.362 1.00 0.00 O ATOM 696 OE2 GLU A 47 -8.500 11.738 -27.247 1.00 0.00 O ATOM 0 H GLU A 47 -5.967 14.201 -22.849 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.193 11.732 -23.861 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.472 13.798 -25.156 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.745 14.095 -25.139 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.437 13.276 -27.337 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.361 12.120 -26.579 1.00 0.00 H new ATOM 703 N PHE A 48 -5.174 10.341 -24.230 1.00 0.00 N ATOM 704 CA PHE A 48 -4.069 9.372 -24.289 1.00 0.00 C ATOM 705 C PHE A 48 -3.071 9.729 -25.405 1.00 0.00 C ATOM 706 O PHE A 48 -3.447 9.793 -26.579 1.00 0.00 O ATOM 707 CB PHE A 48 -4.680 7.961 -24.506 1.00 0.00 C ATOM 708 CG PHE A 48 -3.668 6.827 -24.644 1.00 0.00 C ATOM 709 CD1 PHE A 48 -3.336 6.311 -25.900 1.00 0.00 C ATOM 710 CD2 PHE A 48 -3.052 6.276 -23.525 1.00 0.00 C ATOM 711 CE1 PHE A 48 -2.419 5.292 -26.028 1.00 0.00 C ATOM 712 CE2 PHE A 48 -2.138 5.255 -23.656 1.00 0.00 C ATOM 713 CZ PHE A 48 -1.824 4.762 -24.908 1.00 0.00 C ATOM 0 H PHE A 48 -6.076 9.925 -24.462 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.507 9.392 -23.355 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.341 7.736 -23.669 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.299 7.985 -25.403 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.806 6.718 -26.783 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -3.294 6.654 -22.542 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.168 4.910 -27.006 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.666 4.839 -22.779 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.109 3.958 -25.007 1.00 0.00 H new ATOM 723 N VAL A 49 -1.803 9.967 -25.017 1.00 0.00 N ATOM 724 CA VAL A 49 -0.700 10.240 -25.962 1.00 0.00 C ATOM 725 C VAL A 49 0.075 8.939 -26.222 1.00 0.00 C ATOM 726 O VAL A 49 0.118 8.435 -27.352 1.00 0.00 O ATOM 727 CB VAL A 49 0.294 11.344 -25.417 1.00 0.00 C ATOM 728 CG1 VAL A 49 1.409 11.694 -26.445 1.00 0.00 C ATOM 729 CG2 VAL A 49 -0.472 12.608 -24.975 1.00 0.00 C ATOM 0 H VAL A 49 -1.513 9.976 -24.039 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.138 10.618 -26.886 1.00 0.00 H new ATOM 0 HB VAL A 49 0.791 10.922 -24.543 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.065 12.456 -26.025 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.989 10.799 -26.671 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.954 12.072 -27.361 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.235 13.351 -24.605 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.018 13.018 -25.825 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.175 12.349 -24.183 1.00 0.00 H new ATOM 739 N ALA A 50 0.656 8.389 -25.140 1.00 0.00 N ATOM 740 CA ALA A 50 1.574 7.239 -25.209 1.00 0.00 C ATOM 741 C ALA A 50 1.433 6.350 -23.969 1.00 0.00 C ATOM 742 O ALA A 50 0.945 6.805 -22.938 1.00 0.00 O ATOM 743 CB ALA A 50 3.022 7.730 -25.371 1.00 0.00 C ATOM 0 H ALA A 50 0.501 8.731 -24.192 1.00 0.00 H new ATOM 0 HA ALA A 50 1.312 6.637 -26.079 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.693 6.873 -25.421 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.108 8.313 -26.288 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.292 8.353 -24.519 1.00 0.00 H new ATOM 749 N ALA A 51 1.871 5.076 -24.083 1.00 0.00 N ATOM 750 CA ALA A 51 1.849 4.106 -22.966 1.00 0.00 C ATOM 751 C ALA A 51 3.191 3.387 -22.838 1.00 0.00 C ATOM 752 O ALA A 51 3.839 3.051 -23.847 1.00 0.00 O ATOM 753 CB ALA A 51 0.725 3.069 -23.124 1.00 0.00 C ATOM 0 H ALA A 51 2.249 4.693 -24.950 1.00 0.00 H new ATOM 0 HA ALA A 51 1.659 4.680 -22.059 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.747 2.378 -22.282 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.238 3.578 -23.151 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.869 2.515 -24.052 1.00 0.00 H new ATOM 759 N ILE A 52 3.594 3.166 -21.577 1.00 0.00 N ATOM 760 CA ILE A 52 4.801 2.426 -21.217 1.00 0.00 C ATOM 761 C ILE A 52 4.363 1.122 -20.530 1.00 0.00 C ATOM 762 O ILE A 52 3.651 1.141 -19.530 1.00 0.00 O ATOM 763 CB ILE A 52 5.781 3.246 -20.282 1.00 0.00 C ATOM 764 CG1 ILE A 52 6.244 4.598 -20.940 1.00 0.00 C ATOM 765 CG2 ILE A 52 7.008 2.389 -19.892 1.00 0.00 C ATOM 766 CD1 ILE A 52 5.216 5.716 -20.929 1.00 0.00 C ATOM 0 H ILE A 52 3.075 3.506 -20.767 1.00 0.00 H new ATOM 0 HA ILE A 52 5.367 2.223 -22.126 1.00 0.00 H new ATOM 0 HB ILE A 52 5.223 3.499 -19.381 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.139 4.946 -20.424 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.529 4.400 -21.973 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.669 2.971 -19.250 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.675 1.499 -19.359 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.546 2.093 -20.793 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.636 6.601 -21.406 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.327 5.398 -21.473 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.946 5.952 -19.900 1.00 0.00 H new ATOM 778 N ARG A 53 4.775 0.000 -21.106 1.00 0.00 N ATOM 779 CA ARG A 53 4.373 -1.350 -20.679 1.00 0.00 C ATOM 780 C ARG A 53 5.617 -2.151 -20.286 1.00 0.00 C ATOM 781 O ARG A 53 6.722 -1.596 -20.193 1.00 0.00 O ATOM 782 CB ARG A 53 3.564 -2.046 -21.811 1.00 0.00 C ATOM 783 CG ARG A 53 2.260 -1.308 -22.185 1.00 0.00 C ATOM 784 CD ARG A 53 1.462 -2.008 -23.293 1.00 0.00 C ATOM 785 NE ARG A 53 1.009 -3.362 -22.902 1.00 0.00 N ATOM 786 CZ ARG A 53 1.375 -4.512 -23.499 1.00 0.00 C ATOM 787 NH1 ARG A 53 2.303 -4.524 -24.452 1.00 0.00 N ATOM 788 NH2 ARG A 53 0.812 -5.652 -23.132 1.00 0.00 N ATOM 0 H ARG A 53 5.413 -0.006 -21.902 1.00 0.00 H new ATOM 0 HA ARG A 53 3.724 -1.289 -19.806 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.193 -2.127 -22.698 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.320 -3.062 -21.500 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.634 -1.219 -21.297 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.503 -0.295 -22.507 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.595 -1.400 -23.551 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.078 -2.080 -24.189 1.00 0.00 H new ATOM 0 HE ARG A 53 0.365 -3.429 -22.114 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.749 -3.653 -24.741 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.569 -5.404 -24.894 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.103 -5.658 -22.399 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.087 -6.525 -23.582 1.00 0.00 H new ATOM 802 N TRP A 54 5.418 -3.440 -19.963 1.00 0.00 N ATOM 803 CA TRP A 54 6.519 -4.418 -19.783 1.00 0.00 C ATOM 804 C TRP A 54 7.548 -4.364 -20.951 1.00 0.00 C ATOM 805 O TRP A 54 7.255 -3.823 -22.031 1.00 0.00 O ATOM 806 CB TRP A 54 5.944 -5.852 -19.708 1.00 0.00 C ATOM 807 CG TRP A 54 4.844 -6.048 -18.688 1.00 0.00 C ATOM 808 CD1 TRP A 54 4.987 -6.264 -17.348 1.00 0.00 C ATOM 809 CD2 TRP A 54 3.430 -6.059 -18.943 1.00 0.00 C ATOM 810 NE1 TRP A 54 3.758 -6.415 -16.766 1.00 0.00 N ATOM 811 CE2 TRP A 54 2.788 -6.285 -17.719 1.00 0.00 C ATOM 812 CE3 TRP A 54 2.650 -5.894 -20.095 1.00 0.00 C ATOM 813 CZ2 TRP A 54 1.404 -6.352 -17.608 1.00 0.00 C ATOM 814 CZ3 TRP A 54 1.277 -5.962 -19.981 1.00 0.00 C ATOM 815 CH2 TRP A 54 0.667 -6.188 -18.746 1.00 0.00 C ATOM 0 H TRP A 54 4.491 -3.839 -19.818 1.00 0.00 H new ATOM 0 HA TRP A 54 7.029 -4.155 -18.856 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.560 -6.125 -20.691 1.00 0.00 H new ATOM 0 HB3 TRP A 54 6.757 -6.542 -19.480 1.00 0.00 H new ATOM 0 HD1 TRP A 54 5.931 -6.309 -16.825 1.00 0.00 H new ATOM 0 HE1 TRP A 54 3.592 -6.596 -15.776 1.00 0.00 H new ATOM 0 HE3 TRP A 54 3.115 -5.717 -21.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.928 -6.528 -16.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.664 -5.838 -20.862 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.411 -6.234 -18.689 1.00 0.00 H new ATOM 826 N SER A 55 8.739 -4.952 -20.724 1.00 0.00 N ATOM 827 CA SER A 55 9.806 -5.045 -21.743 1.00 0.00 C ATOM 828 C SER A 55 9.272 -5.753 -23.014 1.00 0.00 C ATOM 829 O SER A 55 8.693 -6.844 -22.929 1.00 0.00 O ATOM 830 CB SER A 55 11.025 -5.792 -21.158 1.00 0.00 C ATOM 831 OG SER A 55 12.107 -5.824 -22.074 1.00 0.00 O ATOM 0 H SER A 55 8.989 -5.376 -19.831 1.00 0.00 H new ATOM 0 HA SER A 55 10.123 -4.041 -22.027 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.343 -5.305 -20.236 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.738 -6.811 -20.898 1.00 0.00 H new ATOM 0 HG SER A 55 12.862 -6.302 -21.672 1.00 0.00 H new ATOM 837 N GLY A 56 9.444 -5.091 -24.172 1.00 0.00 N ATOM 838 CA GLY A 56 8.841 -5.519 -25.443 1.00 0.00 C ATOM 839 C GLY A 56 7.716 -4.588 -25.911 1.00 0.00 C ATOM 840 O GLY A 56 7.335 -4.609 -27.091 1.00 0.00 O ATOM 0 H GLY A 56 10.006 -4.243 -24.251 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.614 -5.561 -26.210 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.447 -6.529 -25.331 1.00 0.00 H new ATOM 844 N GLY A 57 7.177 -3.771 -24.978 1.00 0.00 N ATOM 845 CA GLY A 57 6.146 -2.769 -25.288 1.00 0.00 C ATOM 846 C GLY A 57 6.701 -1.349 -25.246 1.00 0.00 C ATOM 847 O GLY A 57 7.719 -1.074 -25.888 1.00 0.00 O ATOM 0 H GLY A 57 7.447 -3.792 -23.995 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.732 -2.968 -26.277 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.326 -2.859 -24.575 1.00 0.00 H new ATOM 851 N SER A 58 6.017 -0.453 -24.495 1.00 0.00 N ATOM 852 CA SER A 58 6.487 0.920 -24.211 1.00 0.00 C ATOM 853 C SER A 58 6.637 1.773 -25.491 1.00 0.00 C ATOM 854 O SER A 58 7.693 2.372 -25.739 1.00 0.00 O ATOM 855 CB SER A 58 7.809 0.879 -23.397 1.00 0.00 C ATOM 856 OG SER A 58 7.644 0.149 -22.192 1.00 0.00 O ATOM 0 H SER A 58 5.116 -0.667 -24.067 1.00 0.00 H new ATOM 0 HA SER A 58 5.722 1.409 -23.609 1.00 0.00 H new ATOM 0 HB2 SER A 58 8.596 0.422 -23.998 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.131 1.895 -23.169 1.00 0.00 H new ATOM 0 HG SER A 58 8.491 0.136 -21.699 1.00 0.00 H new ATOM 862 N THR A 59 5.562 1.824 -26.299 1.00 0.00 N ATOM 863 CA THR A 59 5.559 2.556 -27.586 1.00 0.00 C ATOM 864 C THR A 59 4.109 2.884 -28.009 1.00 0.00 C ATOM 865 O THR A 59 3.289 1.974 -28.162 1.00 0.00 O ATOM 866 CB THR A 59 6.276 1.750 -28.761 1.00 0.00 C ATOM 867 OG1 THR A 59 7.014 0.624 -28.252 1.00 0.00 O ATOM 868 CG2 THR A 59 7.231 2.638 -29.579 1.00 0.00 C ATOM 0 H THR A 59 4.677 1.365 -26.084 1.00 0.00 H new ATOM 0 HA THR A 59 6.125 3.473 -27.422 1.00 0.00 H new ATOM 0 HB THR A 59 5.477 1.400 -29.414 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.441 0.149 -28.996 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.695 2.044 -30.367 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.671 3.459 -30.026 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.004 3.040 -28.924 1.00 0.00 H new ATOM 876 N TYR A 60 3.838 4.185 -28.196 1.00 0.00 N ATOM 877 CA TYR A 60 2.601 4.729 -28.797 1.00 0.00 C ATOM 878 C TYR A 60 2.919 6.147 -29.291 1.00 0.00 C ATOM 879 O TYR A 60 3.424 6.968 -28.520 1.00 0.00 O ATOM 880 CB TYR A 60 1.400 4.785 -27.799 1.00 0.00 C ATOM 881 CG TYR A 60 0.539 3.518 -27.691 1.00 0.00 C ATOM 882 CD1 TYR A 60 0.675 2.637 -26.619 1.00 0.00 C ATOM 883 CD2 TYR A 60 -0.435 3.223 -28.651 1.00 0.00 C ATOM 884 CE1 TYR A 60 -0.120 1.518 -26.505 1.00 0.00 C ATOM 885 CE2 TYR A 60 -1.230 2.097 -28.540 1.00 0.00 C ATOM 886 CZ TYR A 60 -1.066 1.250 -27.463 1.00 0.00 C ATOM 887 OH TYR A 60 -1.857 0.134 -27.338 1.00 0.00 O ATOM 0 H TYR A 60 4.495 4.917 -27.925 1.00 0.00 H new ATOM 0 HA TYR A 60 2.293 4.067 -29.606 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.790 5.018 -26.808 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.753 5.613 -28.089 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.419 2.836 -25.862 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.568 3.886 -29.493 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.001 0.852 -25.663 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.975 1.882 -29.292 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.477 0.086 -28.096 1.00 0.00 H new ATOM 897 N TYR A 61 2.649 6.405 -30.573 1.00 0.00 N ATOM 898 CA TYR A 61 2.853 7.715 -31.198 1.00 0.00 C ATOM 899 C TYR A 61 2.102 7.772 -32.531 1.00 0.00 C ATOM 900 O TYR A 61 1.986 6.760 -33.233 1.00 0.00 O ATOM 901 CB TYR A 61 4.369 8.020 -31.412 1.00 0.00 C ATOM 902 CG TYR A 61 5.122 6.976 -32.260 1.00 0.00 C ATOM 903 CD1 TYR A 61 5.231 7.109 -33.649 1.00 0.00 C ATOM 904 CD2 TYR A 61 5.719 5.855 -31.670 1.00 0.00 C ATOM 905 CE1 TYR A 61 5.902 6.173 -34.410 1.00 0.00 C ATOM 906 CE2 TYR A 61 6.390 4.920 -32.430 1.00 0.00 C ATOM 907 CZ TYR A 61 6.479 5.082 -33.795 1.00 0.00 C ATOM 908 OH TYR A 61 7.145 4.141 -34.547 1.00 0.00 O ATOM 0 H TYR A 61 2.279 5.703 -31.214 1.00 0.00 H new ATOM 0 HA TYR A 61 2.459 8.478 -30.527 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.466 8.995 -31.890 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.852 8.094 -30.438 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.781 7.962 -34.136 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.653 5.720 -30.600 1.00 0.00 H new ATOM 0 HE1 TYR A 61 5.975 6.294 -35.481 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.845 4.063 -31.956 1.00 0.00 H new ATOM 0 HH TYR A 61 7.493 3.438 -33.959 1.00 0.00 H new ATOM 918 N ALA A 62 1.563 8.952 -32.841 1.00 0.00 N ATOM 919 CA ALA A 62 1.081 9.285 -34.186 1.00 0.00 C ATOM 920 C ALA A 62 2.281 9.637 -35.085 1.00 0.00 C ATOM 921 O ALA A 62 3.347 10.016 -34.577 1.00 0.00 O ATOM 922 CB ALA A 62 0.094 10.462 -34.116 1.00 0.00 C ATOM 0 H ALA A 62 1.447 9.707 -32.165 1.00 0.00 H new ATOM 0 HA ALA A 62 0.560 8.427 -34.610 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.258 10.702 -35.119 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.755 10.188 -33.489 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.594 11.332 -33.690 1.00 0.00 H new ATOM 928 N ASP A 63 2.100 9.533 -36.411 1.00 0.00 N ATOM 929 CA ASP A 63 3.139 9.935 -37.391 1.00 0.00 C ATOM 930 C ASP A 63 3.404 11.461 -37.306 1.00 0.00 C ATOM 931 O ASP A 63 4.518 11.931 -37.572 1.00 0.00 O ATOM 932 CB ASP A 63 2.731 9.518 -38.828 1.00 0.00 C ATOM 933 CG ASP A 63 3.758 9.939 -39.902 1.00 0.00 C ATOM 934 OD1 ASP A 63 3.459 10.849 -40.707 1.00 0.00 O ATOM 935 OD2 ASP A 63 4.877 9.378 -39.922 1.00 0.00 O ATOM 0 H ASP A 63 1.245 9.174 -36.836 1.00 0.00 H new ATOM 0 HA ASP A 63 4.065 9.416 -37.144 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.603 8.436 -38.862 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.764 9.961 -39.067 1.00 0.00 H new ATOM 940 N SER A 64 2.370 12.209 -36.897 1.00 0.00 N ATOM 941 CA SER A 64 2.444 13.658 -36.665 1.00 0.00 C ATOM 942 C SER A 64 3.422 14.019 -35.517 1.00 0.00 C ATOM 943 O SER A 64 4.097 15.056 -35.568 1.00 0.00 O ATOM 944 CB SER A 64 1.028 14.180 -36.353 1.00 0.00 C ATOM 945 OG SER A 64 1.020 15.577 -36.136 1.00 0.00 O ATOM 0 H SER A 64 1.445 11.819 -36.715 1.00 0.00 H new ATOM 0 HA SER A 64 2.832 14.134 -37.566 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.360 13.937 -37.180 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.640 13.673 -35.470 1.00 0.00 H new ATOM 0 HG SER A 64 0.106 15.873 -35.943 1.00 0.00 H new ATOM 951 N VAL A 65 3.490 13.150 -34.486 1.00 0.00 N ATOM 952 CA VAL A 65 4.382 13.339 -33.315 1.00 0.00 C ATOM 953 C VAL A 65 5.543 12.311 -33.328 1.00 0.00 C ATOM 954 O VAL A 65 6.249 12.145 -32.323 1.00 0.00 O ATOM 955 CB VAL A 65 3.577 13.261 -31.957 1.00 0.00 C ATOM 956 CG1 VAL A 65 2.495 14.373 -31.884 1.00 0.00 C ATOM 957 CG2 VAL A 65 2.952 11.862 -31.738 1.00 0.00 C ATOM 0 H VAL A 65 2.931 12.298 -34.439 1.00 0.00 H new ATOM 0 HA VAL A 65 4.812 14.338 -33.388 1.00 0.00 H new ATOM 0 HB VAL A 65 4.289 13.428 -31.149 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.957 14.295 -30.939 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.973 15.350 -31.950 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.795 14.255 -32.711 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.408 11.850 -30.794 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.266 11.638 -32.555 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.742 11.111 -31.711 1.00 0.00 H new ATOM 967 N LYS A 66 5.748 11.654 -34.490 1.00 0.00 N ATOM 968 CA LYS A 66 6.838 10.681 -34.704 1.00 0.00 C ATOM 969 C LYS A 66 8.185 11.427 -34.769 1.00 0.00 C ATOM 970 O LYS A 66 8.296 12.460 -35.445 1.00 0.00 O ATOM 971 CB LYS A 66 6.558 9.864 -36.010 1.00 0.00 C ATOM 972 CG LYS A 66 7.585 8.756 -36.403 1.00 0.00 C ATOM 973 CD LYS A 66 8.801 9.271 -37.218 1.00 0.00 C ATOM 974 CE LYS A 66 8.402 9.909 -38.562 1.00 0.00 C ATOM 975 NZ LYS A 66 7.693 8.954 -39.465 1.00 0.00 N ATOM 0 H LYS A 66 5.157 11.786 -35.311 1.00 0.00 H new ATOM 0 HA LYS A 66 6.887 9.976 -33.874 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.579 9.395 -35.909 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.490 10.568 -36.839 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.949 8.276 -35.495 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.071 7.991 -36.984 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.346 10.004 -36.623 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.483 8.442 -37.405 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.760 10.770 -38.375 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.296 10.281 -39.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.134 8.974 -40.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.757 7.993 -39.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.693 9.229 -39.546 1.00 0.00 H new ATOM 989 N GLY A 67 9.194 10.889 -34.053 1.00 0.00 N ATOM 990 CA GLY A 67 10.530 11.504 -33.967 1.00 0.00 C ATOM 991 C GLY A 67 10.577 12.719 -33.037 1.00 0.00 C ATOM 992 O GLY A 67 11.632 13.336 -32.855 1.00 0.00 O ATOM 0 H GLY A 67 9.105 10.022 -33.523 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.244 10.759 -33.616 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.849 11.806 -34.965 1.00 0.00 H new ATOM 996 N ARG A 68 9.421 13.046 -32.448 1.00 0.00 N ATOM 997 CA ARG A 68 9.228 14.218 -31.594 1.00 0.00 C ATOM 998 C ARG A 68 9.052 13.760 -30.144 1.00 0.00 C ATOM 999 O ARG A 68 9.959 13.900 -29.322 1.00 0.00 O ATOM 1000 CB ARG A 68 7.978 15.006 -32.066 1.00 0.00 C ATOM 1001 CG ARG A 68 8.080 15.618 -33.472 1.00 0.00 C ATOM 1002 CD ARG A 68 6.767 16.295 -33.901 1.00 0.00 C ATOM 1003 NE ARG A 68 6.255 17.227 -32.878 1.00 0.00 N ATOM 1004 CZ ARG A 68 5.003 17.713 -32.820 1.00 0.00 C ATOM 1005 NH1 ARG A 68 4.070 17.336 -33.694 1.00 0.00 N ATOM 1006 NH2 ARG A 68 4.693 18.578 -31.868 1.00 0.00 N ATOM 0 H ARG A 68 8.574 12.487 -32.556 1.00 0.00 H new ATOM 0 HA ARG A 68 10.098 14.871 -31.659 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.117 14.338 -32.040 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.783 15.807 -31.352 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.888 16.349 -33.492 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.337 14.839 -34.189 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.928 16.836 -34.834 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.016 15.531 -34.101 1.00 0.00 H new ATOM 0 HE ARG A 68 6.906 17.528 -32.153 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.299 16.665 -34.427 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.127 17.719 -33.630 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.400 18.867 -31.192 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.747 18.956 -31.811 1.00 0.00 H new ATOM 1020 N PHE A 69 7.877 13.182 -29.855 1.00 0.00 N ATOM 1021 CA PHE A 69 7.520 12.705 -28.518 1.00 0.00 C ATOM 1022 C PHE A 69 8.060 11.284 -28.349 1.00 0.00 C ATOM 1023 O PHE A 69 7.690 10.379 -29.102 1.00 0.00 O ATOM 1024 CB PHE A 69 5.977 12.767 -28.346 1.00 0.00 C ATOM 1025 CG PHE A 69 5.428 14.190 -28.198 1.00 0.00 C ATOM 1026 CD1 PHE A 69 4.907 14.640 -26.983 1.00 0.00 C ATOM 1027 CD2 PHE A 69 5.445 15.081 -29.274 1.00 0.00 C ATOM 1028 CE1 PHE A 69 4.427 15.930 -26.854 1.00 0.00 C ATOM 1029 CE2 PHE A 69 4.964 16.368 -29.143 1.00 0.00 C ATOM 1030 CZ PHE A 69 4.457 16.792 -27.934 1.00 0.00 C ATOM 0 H PHE A 69 7.145 13.033 -30.550 1.00 0.00 H new ATOM 0 HA PHE A 69 7.962 13.334 -27.745 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.505 12.293 -29.207 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.695 12.186 -27.468 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.879 13.973 -26.134 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.841 14.757 -30.225 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.028 16.265 -25.908 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.985 17.042 -29.987 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.082 17.800 -27.830 1.00 0.00 H new ATOM 1040 N THR A 70 8.937 11.111 -27.357 1.00 0.00 N ATOM 1041 CA THR A 70 9.672 9.866 -27.122 1.00 0.00 C ATOM 1042 C THR A 70 9.455 9.432 -25.673 1.00 0.00 C ATOM 1043 O THR A 70 9.619 10.239 -24.760 1.00 0.00 O ATOM 1044 CB THR A 70 11.205 10.075 -27.395 1.00 0.00 C ATOM 1045 OG1 THR A 70 11.385 10.732 -28.667 1.00 0.00 O ATOM 1046 CG2 THR A 70 11.979 8.740 -27.386 1.00 0.00 C ATOM 0 H THR A 70 9.160 11.844 -26.684 1.00 0.00 H new ATOM 0 HA THR A 70 9.306 9.095 -27.800 1.00 0.00 H new ATOM 0 HB THR A 70 11.604 10.695 -26.593 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.342 10.863 -28.835 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.035 8.930 -27.579 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.868 8.262 -26.413 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.581 8.084 -28.160 1.00 0.00 H new ATOM 1054 N ILE A 71 9.074 8.165 -25.466 1.00 0.00 N ATOM 1055 CA ILE A 71 8.850 7.605 -24.123 1.00 0.00 C ATOM 1056 C ILE A 71 9.904 6.530 -23.826 1.00 0.00 C ATOM 1057 O ILE A 71 10.281 5.743 -24.700 1.00 0.00 O ATOM 1058 CB ILE A 71 7.392 7.033 -23.903 1.00 0.00 C ATOM 1059 CG1 ILE A 71 7.029 5.827 -24.844 1.00 0.00 C ATOM 1060 CG2 ILE A 71 6.346 8.160 -24.020 1.00 0.00 C ATOM 1061 CD1 ILE A 71 6.761 6.157 -26.308 1.00 0.00 C ATOM 0 H ILE A 71 8.912 7.499 -26.221 1.00 0.00 H new ATOM 0 HA ILE A 71 8.950 8.432 -23.420 1.00 0.00 H new ATOM 0 HB ILE A 71 7.376 6.628 -22.891 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.845 5.105 -24.802 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.145 5.334 -24.439 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.349 7.748 -23.866 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.545 8.921 -23.265 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.404 8.609 -25.012 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.522 5.242 -26.850 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.922 6.849 -26.377 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.647 6.617 -26.745 1.00 0.00 H new ATOM 1073 N SER A 72 10.402 6.547 -22.586 1.00 0.00 N ATOM 1074 CA SER A 72 11.405 5.603 -22.086 1.00 0.00 C ATOM 1075 C SER A 72 11.115 5.311 -20.613 1.00 0.00 C ATOM 1076 O SER A 72 10.571 6.161 -19.904 1.00 0.00 O ATOM 1077 CB SER A 72 12.834 6.187 -22.251 1.00 0.00 C ATOM 1078 OG SER A 72 13.133 6.466 -23.615 1.00 0.00 O ATOM 0 H SER A 72 10.113 7.232 -21.888 1.00 0.00 H new ATOM 0 HA SER A 72 11.353 4.678 -22.661 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.924 7.101 -21.664 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.564 5.481 -21.855 1.00 0.00 H new ATOM 0 HG SER A 72 14.039 6.834 -23.683 1.00 0.00 H new ATOM 1084 N ARG A 73 11.450 4.100 -20.166 1.00 0.00 N ATOM 1085 CA ARG A 73 11.396 3.725 -18.746 1.00 0.00 C ATOM 1086 C ARG A 73 12.764 3.209 -18.318 1.00 0.00 C ATOM 1087 O ARG A 73 13.345 2.348 -18.986 1.00 0.00 O ATOM 1088 CB ARG A 73 10.325 2.639 -18.487 1.00 0.00 C ATOM 1089 CG ARG A 73 10.152 2.243 -16.994 1.00 0.00 C ATOM 1090 CD ARG A 73 9.307 0.975 -16.816 1.00 0.00 C ATOM 1091 NE ARG A 73 9.947 -0.182 -17.462 1.00 0.00 N ATOM 1092 CZ ARG A 73 9.364 -1.352 -17.746 1.00 0.00 C ATOM 1093 NH1 ARG A 73 8.087 -1.587 -17.445 1.00 0.00 N ATOM 1094 NH2 ARG A 73 10.085 -2.289 -18.344 1.00 0.00 N ATOM 0 H ARG A 73 11.768 3.348 -20.777 1.00 0.00 H new ATOM 0 HA ARG A 73 11.124 4.606 -18.165 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.367 2.994 -18.868 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.585 1.748 -19.058 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.134 2.087 -16.547 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.683 3.066 -16.455 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.169 0.772 -15.754 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.316 1.132 -17.242 1.00 0.00 H new ATOM 0 HE ARG A 73 10.929 -0.082 -17.718 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.530 -0.866 -16.987 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.667 -2.488 -17.673 1.00 0.00 H new ATOM 0 HH21 ARG A 73 11.062 -2.110 -18.577 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.663 -3.190 -18.571 1.00 0.00 H new ATOM 1108 N ASP A 74 13.267 3.758 -17.219 1.00 0.00 N ATOM 1109 CA ASP A 74 14.477 3.283 -16.557 1.00 0.00 C ATOM 1110 C ASP A 74 14.066 2.399 -15.368 1.00 0.00 C ATOM 1111 O ASP A 74 13.216 2.800 -14.564 1.00 0.00 O ATOM 1112 CB ASP A 74 15.342 4.482 -16.089 1.00 0.00 C ATOM 1113 CG ASP A 74 16.700 4.036 -15.540 1.00 0.00 C ATOM 1114 OD1 ASP A 74 16.756 3.600 -14.389 1.00 0.00 O ATOM 1115 OD2 ASP A 74 17.714 4.121 -16.258 1.00 0.00 O ATOM 0 H ASP A 74 12.839 4.559 -16.755 1.00 0.00 H new ATOM 0 HA ASP A 74 15.079 2.697 -17.251 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.496 5.165 -16.925 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.805 5.037 -15.319 1.00 0.00 H new ATOM 1120 N ASN A 75 14.656 1.201 -15.280 1.00 0.00 N ATOM 1121 CA ASN A 75 14.370 0.230 -14.203 1.00 0.00 C ATOM 1122 C ASN A 75 15.268 0.473 -12.964 1.00 0.00 C ATOM 1123 O ASN A 75 14.851 0.197 -11.835 1.00 0.00 O ATOM 1124 CB ASN A 75 14.560 -1.221 -14.731 1.00 0.00 C ATOM 1125 CG ASN A 75 14.165 -2.309 -13.718 1.00 0.00 C ATOM 1126 OD1 ASN A 75 13.205 -2.149 -12.953 1.00 0.00 O ATOM 1127 ND2 ASN A 75 14.917 -3.403 -13.688 1.00 0.00 N ATOM 0 H ASN A 75 15.348 0.871 -15.953 1.00 0.00 H new ATOM 0 HA ASN A 75 13.334 0.368 -13.892 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.966 -1.348 -15.636 1.00 0.00 H new ATOM 0 HB3 ASN A 75 15.604 -1.361 -15.012 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.711 -4.145 -13.019 1.00 0.00 H new ATOM 0 HD22 ASN A 75 15.701 -3.501 -14.334 1.00 0.00 H new ATOM 1134 N ALA A 76 16.487 0.997 -13.194 1.00 0.00 N ATOM 1135 CA ALA A 76 17.523 1.150 -12.146 1.00 0.00 C ATOM 1136 C ALA A 76 17.054 2.073 -10.995 1.00 0.00 C ATOM 1137 O ALA A 76 17.184 1.709 -9.818 1.00 0.00 O ATOM 1138 CB ALA A 76 18.832 1.669 -12.759 1.00 0.00 C ATOM 0 H ALA A 76 16.785 1.328 -14.112 1.00 0.00 H new ATOM 0 HA ALA A 76 17.701 0.165 -11.715 1.00 0.00 H new ATOM 0 HB1 ALA A 76 19.583 1.776 -11.976 1.00 0.00 H new ATOM 0 HB2 ALA A 76 19.188 0.963 -13.509 1.00 0.00 H new ATOM 0 HB3 ALA A 76 18.656 2.637 -13.227 1.00 0.00 H new ATOM 1144 N LYS A 77 16.498 3.257 -11.343 1.00 0.00 N ATOM 1145 CA LYS A 77 15.908 4.192 -10.345 1.00 0.00 C ATOM 1146 C LYS A 77 14.394 4.384 -10.564 1.00 0.00 C ATOM 1147 O LYS A 77 13.795 5.270 -9.944 1.00 0.00 O ATOM 1148 CB LYS A 77 16.652 5.572 -10.272 1.00 0.00 C ATOM 1149 CG LYS A 77 16.790 6.383 -11.585 1.00 0.00 C ATOM 1150 CD LYS A 77 17.936 5.872 -12.484 1.00 0.00 C ATOM 1151 CE LYS A 77 18.223 6.773 -13.696 1.00 0.00 C ATOM 1152 NZ LYS A 77 19.217 6.142 -14.605 1.00 0.00 N ATOM 0 H LYS A 77 16.444 3.591 -12.305 1.00 0.00 H new ATOM 0 HA LYS A 77 16.050 3.716 -9.375 1.00 0.00 H new ATOM 0 HB2 LYS A 77 16.132 6.196 -9.545 1.00 0.00 H new ATOM 0 HB3 LYS A 77 17.654 5.393 -9.881 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.852 6.335 -12.137 1.00 0.00 H new ATOM 0 HG3 LYS A 77 16.964 7.431 -11.343 1.00 0.00 H new ATOM 0 HD2 LYS A 77 18.843 5.784 -11.886 1.00 0.00 H new ATOM 0 HD3 LYS A 77 17.689 4.871 -12.838 1.00 0.00 H new ATOM 0 HE2 LYS A 77 17.297 6.964 -14.239 1.00 0.00 H new ATOM 0 HE3 LYS A 77 18.597 7.738 -13.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 19.821 6.878 -15.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 19.806 5.476 -14.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 18.720 5.631 -15.362 1.00 0.00 H new ATOM 1166 N ASN A 78 13.791 3.521 -11.417 1.00 0.00 N ATOM 1167 CA ASN A 78 12.322 3.451 -11.631 1.00 0.00 C ATOM 1168 C ASN A 78 11.726 4.821 -12.001 1.00 0.00 C ATOM 1169 O ASN A 78 10.838 5.342 -11.321 1.00 0.00 O ATOM 1170 CB ASN A 78 11.622 2.815 -10.395 1.00 0.00 C ATOM 1171 CG ASN A 78 12.011 1.354 -10.152 1.00 0.00 C ATOM 1172 OD1 ASN A 78 12.176 0.922 -9.010 1.00 0.00 O ATOM 1173 ND2 ASN A 78 12.120 0.560 -11.216 1.00 0.00 N ATOM 0 H ASN A 78 14.312 2.849 -11.980 1.00 0.00 H new ATOM 0 HA ASN A 78 12.136 2.802 -12.487 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.868 3.400 -9.508 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.542 2.877 -10.528 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.344 -0.428 -11.095 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.979 0.940 -12.152 1.00 0.00 H new ATOM 1180 N THR A 79 12.255 5.407 -13.080 1.00 0.00 N ATOM 1181 CA THR A 79 11.843 6.735 -13.554 1.00 0.00 C ATOM 1182 C THR A 79 11.433 6.651 -15.037 1.00 0.00 C ATOM 1183 O THR A 79 12.175 6.122 -15.868 1.00 0.00 O ATOM 1184 CB THR A 79 13.002 7.772 -13.357 1.00 0.00 C ATOM 1185 OG1 THR A 79 13.390 7.819 -11.968 1.00 0.00 O ATOM 1186 CG2 THR A 79 12.601 9.185 -13.827 1.00 0.00 C ATOM 0 H THR A 79 12.982 4.975 -13.651 1.00 0.00 H new ATOM 0 HA THR A 79 10.987 7.072 -12.970 1.00 0.00 H new ATOM 0 HB THR A 79 13.842 7.442 -13.969 1.00 0.00 H new ATOM 0 HG1 THR A 79 14.116 8.468 -11.853 1.00 0.00 H new ATOM 0 HG21 THR A 79 13.434 9.870 -13.672 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.347 9.157 -14.887 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.738 9.527 -13.255 1.00 0.00 H new ATOM 1194 N VAL A 80 10.257 7.207 -15.358 1.00 0.00 N ATOM 1195 CA VAL A 80 9.695 7.208 -16.717 1.00 0.00 C ATOM 1196 C VAL A 80 9.892 8.597 -17.342 1.00 0.00 C ATOM 1197 O VAL A 80 9.442 9.598 -16.792 1.00 0.00 O ATOM 1198 CB VAL A 80 8.167 6.835 -16.696 1.00 0.00 C ATOM 1199 CG1 VAL A 80 7.566 6.805 -18.123 1.00 0.00 C ATOM 1200 CG2 VAL A 80 7.942 5.485 -15.966 1.00 0.00 C ATOM 0 H VAL A 80 9.662 7.674 -14.674 1.00 0.00 H new ATOM 0 HA VAL A 80 10.214 6.458 -17.314 1.00 0.00 H new ATOM 0 HB VAL A 80 7.644 7.614 -16.142 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.509 6.544 -18.067 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.673 7.787 -18.584 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.092 6.063 -18.724 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.879 5.246 -15.963 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.490 4.697 -16.482 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.299 5.563 -14.939 1.00 0.00 H new ATOM 1210 N TYR A 81 10.590 8.645 -18.480 1.00 0.00 N ATOM 1211 CA TYR A 81 10.910 9.893 -19.186 1.00 0.00 C ATOM 1212 C TYR A 81 9.987 10.092 -20.400 1.00 0.00 C ATOM 1213 O TYR A 81 9.588 9.122 -21.052 1.00 0.00 O ATOM 1214 CB TYR A 81 12.392 9.871 -19.644 1.00 0.00 C ATOM 1215 CG TYR A 81 13.393 9.672 -18.493 1.00 0.00 C ATOM 1216 CD1 TYR A 81 13.862 8.398 -18.149 1.00 0.00 C ATOM 1217 CD2 TYR A 81 13.852 10.757 -17.738 1.00 0.00 C ATOM 1218 CE1 TYR A 81 14.745 8.217 -17.104 1.00 0.00 C ATOM 1219 CE2 TYR A 81 14.742 10.577 -16.695 1.00 0.00 C ATOM 1220 CZ TYR A 81 15.184 9.307 -16.381 1.00 0.00 C ATOM 1221 OH TYR A 81 16.060 9.126 -15.332 1.00 0.00 O ATOM 0 H TYR A 81 10.953 7.812 -18.943 1.00 0.00 H new ATOM 0 HA TYR A 81 10.754 10.726 -18.501 1.00 0.00 H new ATOM 0 HB2 TYR A 81 12.526 9.071 -20.372 1.00 0.00 H new ATOM 0 HB3 TYR A 81 12.619 10.807 -20.153 1.00 0.00 H new ATOM 0 HD1 TYR A 81 13.526 7.540 -18.713 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.505 11.752 -17.974 1.00 0.00 H new ATOM 0 HE1 TYR A 81 15.091 7.225 -16.853 1.00 0.00 H new ATOM 0 HE2 TYR A 81 15.090 11.427 -16.128 1.00 0.00 H new ATOM 0 HH TYR A 81 16.271 9.994 -14.929 1.00 0.00 H new ATOM 1231 N LEU A 82 9.648 11.362 -20.679 1.00 0.00 N ATOM 1232 CA LEU A 82 8.999 11.774 -21.933 1.00 0.00 C ATOM 1233 C LEU A 82 9.853 12.880 -22.555 1.00 0.00 C ATOM 1234 O LEU A 82 9.775 14.042 -22.154 1.00 0.00 O ATOM 1235 CB LEU A 82 7.546 12.265 -21.671 1.00 0.00 C ATOM 1236 CG LEU A 82 6.759 12.867 -22.887 1.00 0.00 C ATOM 1237 CD1 LEU A 82 6.616 11.860 -24.045 1.00 0.00 C ATOM 1238 CD2 LEU A 82 5.380 13.399 -22.437 1.00 0.00 C ATOM 0 H LEU A 82 9.818 12.135 -20.036 1.00 0.00 H new ATOM 0 HA LEU A 82 8.926 10.929 -22.617 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.972 11.425 -21.280 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.582 13.020 -20.885 1.00 0.00 H new ATOM 0 HG LEU A 82 7.344 13.704 -23.268 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.064 12.323 -24.863 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.605 11.565 -24.395 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.077 10.979 -23.697 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.851 13.812 -23.296 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.797 12.583 -22.010 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.518 14.178 -21.687 1.00 0.00 H new ATOM 1250 N GLN A 83 10.701 12.501 -23.515 1.00 0.00 N ATOM 1251 CA GLN A 83 11.546 13.445 -24.244 1.00 0.00 C ATOM 1252 C GLN A 83 10.726 14.062 -25.383 1.00 0.00 C ATOM 1253 O GLN A 83 10.476 13.417 -26.405 1.00 0.00 O ATOM 1254 CB GLN A 83 12.832 12.746 -24.775 1.00 0.00 C ATOM 1255 CG GLN A 83 13.827 13.670 -25.522 1.00 0.00 C ATOM 1256 CD GLN A 83 14.265 14.898 -24.704 1.00 0.00 C ATOM 1257 OE1 GLN A 83 15.223 14.831 -23.936 1.00 0.00 O ATOM 1258 NE2 GLN A 83 13.580 16.028 -24.881 1.00 0.00 N ATOM 0 H GLN A 83 10.820 11.531 -23.807 1.00 0.00 H new ATOM 0 HA GLN A 83 11.875 14.239 -23.573 1.00 0.00 H new ATOM 0 HB2 GLN A 83 13.350 12.287 -23.933 1.00 0.00 H new ATOM 0 HB3 GLN A 83 12.537 11.939 -25.446 1.00 0.00 H new ATOM 0 HG2 GLN A 83 14.710 13.093 -25.795 1.00 0.00 H new ATOM 0 HG3 GLN A 83 13.368 14.008 -26.451 1.00 0.00 H new ATOM 0 HE21 GLN A 83 12.790 16.050 -25.526 1.00 0.00 H new ATOM 0 HE22 GLN A 83 13.846 16.871 -24.372 1.00 0.00 H new ATOM 1267 N MET A 84 10.258 15.294 -25.156 1.00 0.00 N ATOM 1268 CA MET A 84 9.565 16.088 -26.169 1.00 0.00 C ATOM 1269 C MET A 84 10.605 16.810 -27.027 1.00 0.00 C ATOM 1270 O MET A 84 11.468 17.505 -26.501 1.00 0.00 O ATOM 1271 CB MET A 84 8.634 17.133 -25.507 1.00 0.00 C ATOM 1272 CG MET A 84 7.489 16.572 -24.664 1.00 0.00 C ATOM 1273 SD MET A 84 6.469 17.907 -23.988 1.00 0.00 S ATOM 1274 CE MET A 84 5.139 17.013 -23.200 1.00 0.00 C ATOM 0 H MET A 84 10.351 15.769 -24.258 1.00 0.00 H new ATOM 0 HA MET A 84 8.957 15.424 -26.784 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.240 17.782 -24.875 1.00 0.00 H new ATOM 0 HB3 MET A 84 8.208 17.759 -26.291 1.00 0.00 H new ATOM 0 HG2 MET A 84 6.873 15.912 -25.274 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.893 15.970 -23.850 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.246 17.637 -23.176 1.00 0.00 H new ATOM 0 HE2 MET A 84 4.930 16.102 -23.761 1.00 0.00 H new ATOM 0 HE3 MET A 84 5.428 16.753 -22.182 1.00 0.00 H new ATOM 1284 N ASN A 85 10.543 16.589 -28.337 1.00 0.00 N ATOM 1285 CA ASN A 85 11.323 17.337 -29.338 1.00 0.00 C ATOM 1286 C ASN A 85 10.340 17.988 -30.312 1.00 0.00 C ATOM 1287 O ASN A 85 9.280 17.414 -30.578 1.00 0.00 O ATOM 1288 CB ASN A 85 12.311 16.408 -30.102 1.00 0.00 C ATOM 1289 CG ASN A 85 13.502 15.922 -29.259 1.00 0.00 C ATOM 1290 OD1 ASN A 85 13.392 15.711 -28.052 1.00 0.00 O ATOM 1291 ND2 ASN A 85 14.661 15.768 -29.891 1.00 0.00 N ATOM 0 H ASN A 85 9.941 15.875 -28.747 1.00 0.00 H new ATOM 0 HA ASN A 85 11.924 18.096 -28.837 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.764 15.540 -30.471 1.00 0.00 H new ATOM 0 HB3 ASN A 85 12.691 16.940 -30.974 1.00 0.00 H new ATOM 0 HD21 ASN A 85 15.488 15.468 -29.374 1.00 0.00 H new ATOM 0 HD22 ASN A 85 14.724 15.950 -30.893 1.00 0.00 H new ATOM 1298 N SER A 86 10.689 19.186 -30.817 1.00 0.00 N ATOM 1299 CA SER A 86 9.858 19.937 -31.778 1.00 0.00 C ATOM 1300 C SER A 86 8.445 20.201 -31.200 1.00 0.00 C ATOM 1301 O SER A 86 7.438 19.670 -31.683 1.00 0.00 O ATOM 1302 CB SER A 86 9.809 19.205 -33.155 1.00 0.00 C ATOM 1303 OG SER A 86 9.077 19.943 -34.128 1.00 0.00 O ATOM 0 H SER A 86 11.557 19.662 -30.570 1.00 0.00 H new ATOM 0 HA SER A 86 10.317 20.911 -31.949 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.825 19.041 -33.514 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.353 18.223 -33.027 1.00 0.00 H new ATOM 0 HG SER A 86 9.072 19.451 -34.976 1.00 0.00 H new ATOM 1309 N LEU A 87 8.405 20.967 -30.099 1.00 0.00 N ATOM 1310 CA LEU A 87 7.149 21.359 -29.434 1.00 0.00 C ATOM 1311 C LEU A 87 6.484 22.528 -30.170 1.00 0.00 C ATOM 1312 O LEU A 87 7.156 23.438 -30.621 1.00 0.00 O ATOM 1313 CB LEU A 87 7.402 21.717 -27.942 1.00 0.00 C ATOM 1314 CG LEU A 87 7.572 20.500 -26.984 1.00 0.00 C ATOM 1315 CD1 LEU A 87 7.927 20.941 -25.550 1.00 0.00 C ATOM 1316 CD2 LEU A 87 6.298 19.627 -26.998 1.00 0.00 C ATOM 0 H LEU A 87 9.241 21.333 -29.643 1.00 0.00 H new ATOM 0 HA LEU A 87 6.469 20.508 -29.467 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.298 22.334 -27.881 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.571 22.325 -27.586 1.00 0.00 H new ATOM 0 HG LEU A 87 8.408 19.903 -27.348 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.036 20.062 -24.915 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.864 21.498 -25.562 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.132 21.575 -25.157 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.430 18.780 -26.325 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.446 20.222 -26.670 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.118 19.262 -28.009 1.00 0.00 H new ATOM 1328 N LYS A 88 5.157 22.475 -30.282 1.00 0.00 N ATOM 1329 CA LYS A 88 4.347 23.508 -30.944 1.00 0.00 C ATOM 1330 C LYS A 88 3.745 24.438 -29.861 1.00 0.00 C ATOM 1331 O LYS A 88 3.632 24.017 -28.708 1.00 0.00 O ATOM 1332 CB LYS A 88 3.239 22.803 -31.788 1.00 0.00 C ATOM 1333 CG LYS A 88 3.745 21.696 -32.751 1.00 0.00 C ATOM 1334 CD LYS A 88 4.780 22.180 -33.799 1.00 0.00 C ATOM 1335 CE LYS A 88 4.178 22.966 -34.985 1.00 0.00 C ATOM 1336 NZ LYS A 88 3.556 24.263 -34.602 1.00 0.00 N ATOM 0 H LYS A 88 4.602 21.703 -29.911 1.00 0.00 H new ATOM 0 HA LYS A 88 4.951 24.119 -31.615 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.510 22.364 -31.107 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.714 23.559 -32.373 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.191 20.895 -32.161 1.00 0.00 H new ATOM 0 HG3 LYS A 88 2.890 21.268 -33.274 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.516 22.810 -33.299 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.315 21.314 -34.189 1.00 0.00 H new ATOM 0 HE2 LYS A 88 4.963 23.154 -35.718 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.427 22.346 -35.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.607 24.923 -35.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.561 24.108 -34.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 4.066 24.666 -33.790 1.00 0.00 H new ATOM 1350 N PRO A 89 3.340 25.713 -30.191 1.00 0.00 N ATOM 1351 CA PRO A 89 2.790 26.667 -29.180 1.00 0.00 C ATOM 1352 C PRO A 89 1.496 26.140 -28.499 1.00 0.00 C ATOM 1353 O PRO A 89 1.153 26.547 -27.378 1.00 0.00 O ATOM 1354 CB PRO A 89 2.506 27.946 -30.011 1.00 0.00 C ATOM 1355 CG PRO A 89 2.374 27.458 -31.420 1.00 0.00 C ATOM 1356 CD PRO A 89 3.376 26.334 -31.541 1.00 0.00 C ATOM 0 HA PRO A 89 3.482 26.830 -28.354 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.595 28.442 -29.676 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.316 28.669 -29.916 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.362 27.108 -31.623 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.585 28.254 -32.134 1.00 0.00 H new ATOM 0 HD2 PRO A 89 3.096 25.625 -32.320 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.371 26.704 -31.789 1.00 0.00 H new ATOM 1364 N GLU A 90 0.809 25.212 -29.197 1.00 0.00 N ATOM 1365 CA GLU A 90 -0.434 24.556 -28.731 1.00 0.00 C ATOM 1366 C GLU A 90 -0.202 23.667 -27.482 1.00 0.00 C ATOM 1367 O GLU A 90 -1.159 23.331 -26.773 1.00 0.00 O ATOM 1368 CB GLU A 90 -1.020 23.709 -29.885 1.00 0.00 C ATOM 1369 CG GLU A 90 -0.080 22.586 -30.366 1.00 0.00 C ATOM 1370 CD GLU A 90 -0.622 21.806 -31.565 1.00 0.00 C ATOM 1371 OE1 GLU A 90 -0.478 22.283 -32.713 1.00 0.00 O ATOM 1372 OE2 GLU A 90 -1.209 20.727 -31.369 1.00 0.00 O ATOM 0 H GLU A 90 1.107 24.890 -30.118 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.136 25.336 -28.437 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.962 23.268 -29.559 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.249 24.364 -30.725 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.884 23.019 -30.631 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.097 21.894 -29.543 1.00 0.00 H new ATOM 1379 N ASP A 91 1.075 23.315 -27.207 1.00 0.00 N ATOM 1380 CA ASP A 91 1.471 22.518 -26.027 1.00 0.00 C ATOM 1381 C ASP A 91 1.594 23.415 -24.763 1.00 0.00 C ATOM 1382 O ASP A 91 2.503 23.246 -23.943 1.00 0.00 O ATOM 1383 CB ASP A 91 2.798 21.756 -26.315 1.00 0.00 C ATOM 1384 CG ASP A 91 2.690 20.745 -27.478 1.00 0.00 C ATOM 1385 OD1 ASP A 91 2.241 19.601 -27.250 1.00 0.00 O ATOM 1386 OD2 ASP A 91 3.051 21.089 -28.626 1.00 0.00 O ATOM 0 H ASP A 91 1.862 23.578 -27.801 1.00 0.00 H new ATOM 0 HA ASP A 91 0.692 21.782 -25.827 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.580 22.479 -26.545 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.107 21.228 -25.413 1.00 0.00 H new ATOM 1391 N THR A 92 0.687 24.400 -24.633 1.00 0.00 N ATOM 1392 CA THR A 92 0.445 25.110 -23.372 1.00 0.00 C ATOM 1393 C THR A 92 -0.680 24.356 -22.632 1.00 0.00 C ATOM 1394 O THR A 92 -1.875 24.624 -22.849 1.00 0.00 O ATOM 1395 CB THR A 92 0.050 26.601 -23.648 1.00 0.00 C ATOM 1396 OG1 THR A 92 1.098 27.231 -24.400 1.00 0.00 O ATOM 1397 CG2 THR A 92 -0.222 27.401 -22.354 1.00 0.00 C ATOM 0 H THR A 92 0.102 24.724 -25.403 1.00 0.00 H new ATOM 0 HA THR A 92 1.346 25.133 -22.758 1.00 0.00 H new ATOM 0 HB THR A 92 -0.882 26.595 -24.214 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.030 26.967 -25.341 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.491 28.426 -22.610 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.041 26.937 -21.805 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.674 27.405 -21.734 1.00 0.00 H new ATOM 1405 N ALA A 93 -0.283 23.388 -21.788 1.00 0.00 N ATOM 1406 CA ALA A 93 -1.213 22.417 -21.182 1.00 0.00 C ATOM 1407 C ALA A 93 -0.537 21.643 -20.034 1.00 0.00 C ATOM 1408 O ALA A 93 0.646 21.841 -19.743 1.00 0.00 O ATOM 1409 CB ALA A 93 -1.724 21.446 -22.269 1.00 0.00 C ATOM 0 H ALA A 93 0.689 23.256 -21.507 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.059 22.958 -20.759 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.411 20.728 -21.822 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.242 22.009 -23.045 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.880 20.915 -22.708 1.00 0.00 H new ATOM 1415 N VAL A 94 -1.310 20.767 -19.374 1.00 0.00 N ATOM 1416 CA VAL A 94 -0.815 19.881 -18.316 1.00 0.00 C ATOM 1417 C VAL A 94 -0.742 18.427 -18.830 1.00 0.00 C ATOM 1418 O VAL A 94 -1.758 17.815 -19.168 1.00 0.00 O ATOM 1419 CB VAL A 94 -1.701 19.994 -17.002 1.00 0.00 C ATOM 1420 CG1 VAL A 94 -3.212 19.767 -17.257 1.00 0.00 C ATOM 1421 CG2 VAL A 94 -1.176 19.064 -15.889 1.00 0.00 C ATOM 0 H VAL A 94 -2.306 20.655 -19.564 1.00 0.00 H new ATOM 0 HA VAL A 94 0.192 20.197 -18.046 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.604 21.025 -16.663 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.757 19.858 -16.318 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.578 20.512 -17.963 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.366 18.770 -17.670 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.804 19.165 -15.004 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.202 18.031 -16.236 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.151 19.338 -15.640 1.00 0.00 H new ATOM 1431 N TYR A 95 0.483 17.903 -18.953 1.00 0.00 N ATOM 1432 CA TYR A 95 0.726 16.481 -19.224 1.00 0.00 C ATOM 1433 C TYR A 95 0.885 15.755 -17.893 1.00 0.00 C ATOM 1434 O TYR A 95 1.594 16.231 -17.021 1.00 0.00 O ATOM 1435 CB TYR A 95 1.989 16.287 -20.104 1.00 0.00 C ATOM 1436 CG TYR A 95 1.771 16.549 -21.604 1.00 0.00 C ATOM 1437 CD1 TYR A 95 1.480 17.830 -22.082 1.00 0.00 C ATOM 1438 CD2 TYR A 95 1.869 15.512 -22.543 1.00 0.00 C ATOM 1439 CE1 TYR A 95 1.299 18.069 -23.432 1.00 0.00 C ATOM 1440 CE2 TYR A 95 1.688 15.749 -23.893 1.00 0.00 C ATOM 1441 CZ TYR A 95 1.403 17.027 -24.331 1.00 0.00 C ATOM 1442 OH TYR A 95 1.217 17.261 -25.668 1.00 0.00 O ATOM 0 H TYR A 95 1.337 18.455 -18.867 1.00 0.00 H new ATOM 0 HA TYR A 95 -0.119 16.068 -19.775 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.773 16.952 -19.743 1.00 0.00 H new ATOM 0 HB3 TYR A 95 2.352 15.267 -19.976 1.00 0.00 H new ATOM 0 HD1 TYR A 95 1.395 18.649 -21.383 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.090 14.510 -22.205 1.00 0.00 H new ATOM 0 HE1 TYR A 95 1.077 19.067 -23.781 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.769 14.938 -24.602 1.00 0.00 H new ATOM 0 HH TYR A 95 1.660 18.099 -25.918 1.00 0.00 H new ATOM 1452 N LEU A 96 0.209 14.614 -17.739 1.00 0.00 N ATOM 1453 CA LEU A 96 0.280 13.799 -16.519 1.00 0.00 C ATOM 1454 C LEU A 96 0.750 12.382 -16.863 1.00 0.00 C ATOM 1455 O LEU A 96 0.404 11.835 -17.914 1.00 0.00 O ATOM 1456 CB LEU A 96 -1.094 13.824 -15.773 1.00 0.00 C ATOM 1457 CG LEU A 96 -2.376 13.364 -16.572 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -2.588 11.834 -16.516 1.00 0.00 C ATOM 1459 CD2 LEU A 96 -3.648 14.111 -16.095 1.00 0.00 C ATOM 0 H LEU A 96 -0.404 14.227 -18.456 1.00 0.00 H new ATOM 0 HA LEU A 96 1.016 14.219 -15.833 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.006 13.192 -14.889 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.266 14.842 -15.422 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.197 13.630 -17.614 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.482 11.570 -17.081 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.723 11.331 -16.949 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.708 11.521 -15.479 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.509 13.767 -16.669 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.813 13.909 -15.037 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.518 15.183 -16.244 1.00 0.00 H new ATOM 1471 N CYS A 97 1.580 11.817 -15.989 1.00 0.00 N ATOM 1472 CA CYS A 97 2.006 10.419 -16.066 1.00 0.00 C ATOM 1473 C CYS A 97 1.038 9.570 -15.247 1.00 0.00 C ATOM 1474 O CYS A 97 0.465 10.040 -14.257 1.00 0.00 O ATOM 1475 CB CYS A 97 3.440 10.250 -15.535 1.00 0.00 C ATOM 1476 SG CYS A 97 4.075 8.556 -15.628 1.00 0.00 S ATOM 0 H CYS A 97 1.981 12.321 -15.198 1.00 0.00 H new ATOM 0 HA CYS A 97 1.999 10.097 -17.107 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.103 10.906 -16.099 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.472 10.581 -14.497 1.00 0.00 H new ATOM 0 HG CYS A 97 5.374 8.576 -15.573 1.00 0.00 H new ATOM 1482 N ALA A 98 0.855 8.325 -15.665 1.00 0.00 N ATOM 1483 CA ALA A 98 -0.055 7.385 -15.017 1.00 0.00 C ATOM 1484 C ALA A 98 0.625 6.024 -14.884 1.00 0.00 C ATOM 1485 O ALA A 98 1.598 5.741 -15.590 1.00 0.00 O ATOM 1486 CB ALA A 98 -1.355 7.298 -15.815 1.00 0.00 C ATOM 0 H ALA A 98 1.339 7.933 -16.473 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.303 7.732 -14.014 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.033 6.596 -15.330 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -1.822 8.282 -15.859 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -1.139 6.954 -16.826 1.00 0.00 H new ATOM 1492 N ALA A 99 0.121 5.209 -13.954 1.00 0.00 N ATOM 1493 CA ALA A 99 0.653 3.871 -13.653 1.00 0.00 C ATOM 1494 C ALA A 99 -0.498 2.910 -13.360 1.00 0.00 C ATOM 1495 O ALA A 99 -1.647 3.333 -13.233 1.00 0.00 O ATOM 1496 CB ALA A 99 1.640 3.922 -12.470 1.00 0.00 C ATOM 0 H ALA A 99 -0.682 5.462 -13.378 1.00 0.00 H new ATOM 0 HA ALA A 99 1.201 3.509 -14.523 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.018 2.920 -12.268 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.472 4.581 -12.718 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.128 4.301 -11.585 1.00 0.00 H new ATOM 1502 N GLY A 100 -0.187 1.615 -13.286 1.00 0.00 N ATOM 1503 CA GLY A 100 -1.175 0.604 -12.945 1.00 0.00 C ATOM 1504 C GLY A 100 -0.700 -0.799 -13.242 1.00 0.00 C ATOM 1505 O GLY A 100 0.507 -1.062 -13.267 1.00 0.00 O ATOM 0 H GLY A 100 0.748 1.246 -13.460 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.420 0.684 -11.886 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.093 0.797 -13.500 1.00 0.00 H new ATOM 1509 N VAL A 101 -1.663 -1.707 -13.459 1.00 0.00 N ATOM 1510 CA VAL A 101 -1.411 -3.124 -13.798 1.00 0.00 C ATOM 1511 C VAL A 101 -2.258 -3.535 -15.022 1.00 0.00 C ATOM 1512 O VAL A 101 -3.002 -2.714 -15.579 1.00 0.00 O ATOM 1513 CB VAL A 101 -1.702 -4.083 -12.569 1.00 0.00 C ATOM 1514 CG1 VAL A 101 -0.711 -3.829 -11.403 1.00 0.00 C ATOM 1515 CG2 VAL A 101 -3.169 -3.956 -12.086 1.00 0.00 C ATOM 0 H VAL A 101 -2.656 -1.478 -13.404 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.354 -3.226 -14.046 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.553 -5.106 -12.916 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.940 -4.503 -10.578 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.308 -4.008 -11.746 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.804 -2.797 -11.065 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.334 -4.627 -11.243 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -3.362 -2.929 -11.776 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.844 -4.223 -12.899 1.00 0.00 H new ATOM 1525 N TRP A 102 -2.116 -4.805 -15.438 1.00 0.00 N ATOM 1526 CA TRP A 102 -2.916 -5.412 -16.526 1.00 0.00 C ATOM 1527 C TRP A 102 -4.423 -5.352 -16.206 1.00 0.00 C ATOM 1528 O TRP A 102 -4.817 -5.404 -15.040 1.00 0.00 O ATOM 1529 CB TRP A 102 -2.459 -6.879 -16.767 1.00 0.00 C ATOM 1530 CG TRP A 102 -2.523 -7.777 -15.541 1.00 0.00 C ATOM 1531 CD1 TRP A 102 -3.571 -8.563 -15.136 1.00 0.00 C ATOM 1532 CD2 TRP A 102 -1.487 -7.970 -14.565 1.00 0.00 C ATOM 1533 NE1 TRP A 102 -3.248 -9.210 -13.973 1.00 0.00 N ATOM 1534 CE2 TRP A 102 -1.980 -8.863 -13.602 1.00 0.00 C ATOM 1535 CE3 TRP A 102 -0.195 -7.462 -14.410 1.00 0.00 C ATOM 1536 CZ2 TRP A 102 -1.221 -9.271 -12.506 1.00 0.00 C ATOM 1537 CZ3 TRP A 102 0.555 -7.866 -13.325 1.00 0.00 C ATOM 1538 CH2 TRP A 102 0.039 -8.758 -12.381 1.00 0.00 C ATOM 0 H TRP A 102 -1.438 -5.448 -15.028 1.00 0.00 H new ATOM 0 HA TRP A 102 -2.750 -4.839 -17.438 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -3.079 -7.314 -17.551 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -1.435 -6.869 -17.140 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -4.512 -8.658 -15.657 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -3.858 -9.850 -13.464 1.00 0.00 H new ATOM 0 HE3 TRP A 102 0.210 -6.764 -15.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -1.615 -9.968 -11.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 1.559 -7.486 -13.203 1.00 0.00 H new ATOM 0 HH2 TRP A 102 0.648 -9.047 -11.537 1.00 0.00 H new ATOM 1549 N ARG A 103 -5.260 -5.251 -17.247 1.00 0.00 N ATOM 1550 CA ARG A 103 -6.722 -5.095 -17.081 1.00 0.00 C ATOM 1551 C ARG A 103 -7.458 -6.268 -17.744 1.00 0.00 C ATOM 1552 O ARG A 103 -7.004 -6.776 -18.777 1.00 0.00 O ATOM 1553 CB ARG A 103 -7.197 -3.746 -17.710 1.00 0.00 C ATOM 1554 CG ARG A 103 -8.501 -3.165 -17.102 1.00 0.00 C ATOM 1555 CD ARG A 103 -8.307 -2.777 -15.631 1.00 0.00 C ATOM 1556 NE ARG A 103 -9.455 -2.064 -15.042 1.00 0.00 N ATOM 1557 CZ ARG A 103 -9.373 -1.174 -14.041 1.00 0.00 C ATOM 1558 NH1 ARG A 103 -8.198 -0.824 -13.536 1.00 0.00 N ATOM 1559 NH2 ARG A 103 -10.471 -0.625 -13.560 1.00 0.00 N ATOM 0 H ARG A 103 -4.953 -5.274 -18.220 1.00 0.00 H new ATOM 0 HA ARG A 103 -6.952 -5.088 -16.016 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -6.401 -3.009 -17.598 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -7.346 -3.893 -18.780 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -8.812 -2.290 -17.673 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.302 -3.900 -17.184 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -8.116 -3.679 -15.050 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -7.420 -2.149 -15.546 1.00 0.00 H new ATOM 0 HE ARG A 103 -10.380 -2.262 -15.424 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -7.341 -1.233 -13.908 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -8.151 -0.146 -12.775 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -11.380 -0.877 -13.949 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -10.412 0.052 -12.799 1.00 0.00 H new ATOM 1573 N SER A 104 -8.611 -6.659 -17.168 1.00 0.00 N ATOM 1574 CA SER A 104 -9.498 -7.688 -17.751 1.00 0.00 C ATOM 1575 C SER A 104 -10.101 -7.209 -19.102 1.00 0.00 C ATOM 1576 O SER A 104 -10.551 -8.024 -19.917 1.00 0.00 O ATOM 1577 CB SER A 104 -10.617 -8.039 -16.741 1.00 0.00 C ATOM 1578 OG SER A 104 -10.068 -8.390 -15.478 1.00 0.00 O ATOM 0 H SER A 104 -8.954 -6.273 -16.288 1.00 0.00 H new ATOM 0 HA SER A 104 -8.910 -8.583 -17.956 1.00 0.00 H new ATOM 0 HB2 SER A 104 -11.289 -7.188 -16.626 1.00 0.00 H new ATOM 0 HB3 SER A 104 -11.213 -8.867 -17.126 1.00 0.00 H new ATOM 0 HG SER A 104 -10.793 -8.606 -14.855 1.00 0.00 H new ATOM 1584 N SER A 105 -10.094 -5.873 -19.314 1.00 0.00 N ATOM 1585 CA SER A 105 -10.530 -5.233 -20.572 1.00 0.00 C ATOM 1586 C SER A 105 -9.508 -5.447 -21.715 1.00 0.00 C ATOM 1587 O SER A 105 -9.868 -5.397 -22.894 1.00 0.00 O ATOM 1588 CB SER A 105 -10.727 -3.724 -20.323 1.00 0.00 C ATOM 1589 OG SER A 105 -11.631 -3.498 -19.260 1.00 0.00 O ATOM 0 H SER A 105 -9.782 -5.205 -18.609 1.00 0.00 H new ATOM 0 HA SER A 105 -11.467 -5.694 -20.883 1.00 0.00 H new ATOM 0 HB2 SER A 105 -9.767 -3.262 -20.093 1.00 0.00 H new ATOM 0 HB3 SER A 105 -11.101 -3.248 -21.230 1.00 0.00 H new ATOM 0 HG SER A 105 -11.738 -2.534 -19.121 1.00 0.00 H new ATOM 1595 N GLY A 106 -8.232 -5.666 -21.351 1.00 0.00 N ATOM 1596 CA GLY A 106 -7.163 -5.917 -22.334 1.00 0.00 C ATOM 1597 C GLY A 106 -6.409 -4.653 -22.766 1.00 0.00 C ATOM 1598 O GLY A 106 -5.274 -4.740 -23.242 1.00 0.00 O ATOM 0 H GLY A 106 -7.916 -5.674 -20.381 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -6.452 -6.626 -21.910 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -7.597 -6.389 -23.216 1.00 0.00 H new ATOM 1602 N TRP A 107 -7.050 -3.477 -22.624 1.00 0.00 N ATOM 1603 CA TRP A 107 -6.407 -2.169 -22.884 1.00 0.00 C ATOM 1604 C TRP A 107 -5.529 -1.759 -21.684 1.00 0.00 C ATOM 1605 O TRP A 107 -5.786 -2.184 -20.545 1.00 0.00 O ATOM 1606 CB TRP A 107 -7.483 -1.081 -23.173 1.00 0.00 C ATOM 1607 CG TRP A 107 -8.256 -1.295 -24.464 1.00 0.00 C ATOM 1608 CD1 TRP A 107 -7.841 -0.985 -25.734 1.00 0.00 C ATOM 1609 CD2 TRP A 107 -9.578 -1.848 -24.608 1.00 0.00 C ATOM 1610 NE1 TRP A 107 -8.807 -1.333 -26.645 1.00 0.00 N ATOM 1611 CE2 TRP A 107 -9.882 -1.859 -25.980 1.00 0.00 C ATOM 1612 CE3 TRP A 107 -10.526 -2.342 -23.708 1.00 0.00 C ATOM 1613 CZ2 TRP A 107 -11.095 -2.342 -26.473 1.00 0.00 C ATOM 1614 CZ3 TRP A 107 -11.729 -2.821 -24.197 1.00 0.00 C ATOM 1615 CH2 TRP A 107 -12.004 -2.820 -25.569 1.00 0.00 C ATOM 0 H TRP A 107 -8.023 -3.404 -22.327 1.00 0.00 H new ATOM 0 HA TRP A 107 -5.770 -2.262 -23.764 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -8.187 -1.053 -22.342 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -6.996 -0.106 -23.212 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -6.892 -0.533 -25.981 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -8.735 -1.218 -27.656 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -10.323 -2.350 -22.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -11.309 -2.339 -27.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -12.468 -3.202 -23.508 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -12.951 -3.203 -25.921 1.00 0.00 H new ATOM 1626 N ASP A 108 -4.482 -0.952 -21.962 1.00 0.00 N ATOM 1627 CA ASP A 108 -3.606 -0.369 -20.921 1.00 0.00 C ATOM 1628 C ASP A 108 -4.436 0.626 -20.092 1.00 0.00 C ATOM 1629 O ASP A 108 -5.011 1.569 -20.655 1.00 0.00 O ATOM 1630 CB ASP A 108 -2.380 0.346 -21.566 1.00 0.00 C ATOM 1631 CG ASP A 108 -1.293 0.779 -20.549 1.00 0.00 C ATOM 1632 OD1 ASP A 108 -0.250 0.090 -20.443 1.00 0.00 O ATOM 1633 OD2 ASP A 108 -1.475 1.801 -19.852 1.00 0.00 O ATOM 0 H ASP A 108 -4.220 -0.687 -22.912 1.00 0.00 H new ATOM 0 HA ASP A 108 -3.222 -1.161 -20.278 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -1.930 -0.321 -22.301 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.729 1.226 -22.106 1.00 0.00 H new ATOM 1638 N THR A 109 -4.510 0.403 -18.773 1.00 0.00 N ATOM 1639 CA THR A 109 -5.410 1.160 -17.885 1.00 0.00 C ATOM 1640 C THR A 109 -4.625 1.855 -16.752 1.00 0.00 C ATOM 1641 O THR A 109 -3.837 1.201 -16.054 1.00 0.00 O ATOM 1642 CB THR A 109 -6.513 0.227 -17.280 1.00 0.00 C ATOM 1643 OG1 THR A 109 -7.217 -0.432 -18.350 1.00 0.00 O ATOM 1644 CG2 THR A 109 -7.528 1.000 -16.402 1.00 0.00 C ATOM 0 H THR A 109 -3.952 -0.302 -18.291 1.00 0.00 H new ATOM 0 HA THR A 109 -5.894 1.928 -18.488 1.00 0.00 H new ATOM 0 HB THR A 109 -6.012 -0.499 -16.640 1.00 0.00 H new ATOM 0 HG1 THR A 109 -6.600 -1.018 -18.836 1.00 0.00 H new ATOM 0 HG21 THR A 109 -8.270 0.306 -16.008 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.003 1.479 -15.575 1.00 0.00 H new ATOM 0 HG23 THR A 109 -8.026 1.760 -17.004 1.00 0.00 H new ATOM 1652 N PRO A 110 -4.814 3.202 -16.568 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.249 3.936 -15.427 1.00 0.00 C ATOM 1654 C PRO A 110 -5.060 3.706 -14.131 1.00 0.00 C ATOM 1655 O PRO A 110 -6.173 4.226 -13.969 1.00 0.00 O ATOM 1656 CB PRO A 110 -4.310 5.405 -15.897 1.00 0.00 C ATOM 1657 CG PRO A 110 -5.493 5.467 -16.814 1.00 0.00 C ATOM 1658 CD PRO A 110 -5.560 4.114 -17.489 1.00 0.00 C ATOM 0 HA PRO A 110 -3.240 3.613 -15.169 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.428 6.085 -15.053 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -3.394 5.693 -16.413 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.408 5.673 -16.259 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -5.378 6.265 -17.547 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.591 3.787 -17.623 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.103 4.140 -18.478 1.00 0.00 H new ATOM 1666 N ASP A 111 -4.515 2.873 -13.237 1.00 0.00 N ATOM 1667 CA ASP A 111 -5.053 2.689 -11.871 1.00 0.00 C ATOM 1668 C ASP A 111 -4.650 3.876 -10.990 1.00 0.00 C ATOM 1669 O ASP A 111 -5.371 4.265 -10.068 1.00 0.00 O ATOM 1670 CB ASP A 111 -4.546 1.364 -11.255 1.00 0.00 C ATOM 1671 CG ASP A 111 -5.019 0.133 -12.042 1.00 0.00 C ATOM 1672 OD1 ASP A 111 -6.066 -0.451 -11.686 1.00 0.00 O ATOM 1673 OD2 ASP A 111 -4.363 -0.238 -13.036 1.00 0.00 O ATOM 0 H ASP A 111 -3.690 2.306 -13.433 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.140 2.641 -11.928 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -3.457 1.375 -11.223 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -4.894 1.289 -10.225 1.00 0.00 H new ATOM 1678 N TYR A 112 -3.484 4.447 -11.310 1.00 0.00 N ATOM 1679 CA TYR A 112 -2.859 5.545 -10.567 1.00 0.00 C ATOM 1680 C TYR A 112 -2.538 6.676 -11.547 1.00 0.00 C ATOM 1681 O TYR A 112 -2.349 6.433 -12.742 1.00 0.00 O ATOM 1682 CB TYR A 112 -1.545 5.062 -9.882 1.00 0.00 C ATOM 1683 CG TYR A 112 -1.665 3.688 -9.209 1.00 0.00 C ATOM 1684 CD1 TYR A 112 -1.040 2.562 -9.750 1.00 0.00 C ATOM 1685 CD2 TYR A 112 -2.425 3.517 -8.050 1.00 0.00 C ATOM 1686 CE1 TYR A 112 -1.168 1.321 -9.165 1.00 0.00 C ATOM 1687 CE2 TYR A 112 -2.552 2.277 -7.463 1.00 0.00 C ATOM 1688 CZ TYR A 112 -1.920 1.184 -8.020 1.00 0.00 C ATOM 1689 OH TYR A 112 -2.052 -0.054 -7.432 1.00 0.00 O ATOM 0 H TYR A 112 -2.934 4.149 -12.116 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.543 5.895 -9.794 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -0.751 5.023 -10.628 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -1.245 5.797 -9.135 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -0.444 2.666 -10.645 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -2.920 4.369 -7.608 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -0.682 0.461 -9.602 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -3.145 2.161 -6.568 1.00 0.00 H new ATOM 0 HH TYR A 112 -2.795 -0.035 -6.794 1.00 0.00 H new ATOM 1699 N TRP A 113 -2.497 7.904 -11.030 1.00 0.00 N ATOM 1700 CA TRP A 113 -2.066 9.101 -11.775 1.00 0.00 C ATOM 1701 C TRP A 113 -1.051 9.862 -10.915 1.00 0.00 C ATOM 1702 O TRP A 113 -1.028 9.698 -9.687 1.00 0.00 O ATOM 1703 CB TRP A 113 -3.283 10.005 -12.125 1.00 0.00 C ATOM 1704 CG TRP A 113 -4.317 9.346 -13.022 1.00 0.00 C ATOM 1705 CD1 TRP A 113 -4.377 9.393 -14.388 1.00 0.00 C ATOM 1706 CD2 TRP A 113 -5.435 8.536 -12.608 1.00 0.00 C ATOM 1707 NE1 TRP A 113 -5.453 8.676 -14.841 1.00 0.00 N ATOM 1708 CE2 TRP A 113 -6.118 8.142 -13.771 1.00 0.00 C ATOM 1709 CE3 TRP A 113 -5.922 8.114 -11.364 1.00 0.00 C ATOM 1710 CZ2 TRP A 113 -7.256 7.341 -13.731 1.00 0.00 C ATOM 1711 CZ3 TRP A 113 -7.051 7.318 -11.326 1.00 0.00 C ATOM 1712 CH2 TRP A 113 -7.709 6.941 -12.505 1.00 0.00 C ATOM 0 H TRP A 113 -2.765 8.105 -10.067 1.00 0.00 H new ATOM 0 HA TRP A 113 -1.605 8.804 -12.717 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -3.768 10.315 -11.199 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -2.920 10.909 -12.613 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -3.676 9.920 -15.019 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -5.716 8.559 -15.819 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -5.424 8.406 -10.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -7.763 7.046 -14.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -7.432 6.981 -10.373 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -8.592 6.322 -12.443 1.00 0.00 H new ATOM 1723 N GLY A 114 -0.218 10.684 -11.560 1.00 0.00 N ATOM 1724 CA GLY A 114 0.831 11.422 -10.872 1.00 0.00 C ATOM 1725 C GLY A 114 0.323 12.703 -10.231 1.00 0.00 C ATOM 1726 O GLY A 114 -0.579 12.671 -9.385 1.00 0.00 O ATOM 0 H GLY A 114 -0.255 10.852 -12.565 1.00 0.00 H new ATOM 0 HA2 GLY A 114 1.273 10.787 -10.104 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.623 11.664 -11.580 1.00 0.00 H new ATOM 1730 N GLN A 115 0.902 13.831 -10.644 1.00 0.00 N ATOM 1731 CA GLN A 115 0.560 15.167 -10.120 1.00 0.00 C ATOM 1732 C GLN A 115 0.266 16.149 -11.262 1.00 0.00 C ATOM 1733 O GLN A 115 -0.309 17.218 -11.032 1.00 0.00 O ATOM 1734 CB GLN A 115 1.711 15.679 -9.210 1.00 0.00 C ATOM 1735 CG GLN A 115 3.099 15.741 -9.886 1.00 0.00 C ATOM 1736 CD GLN A 115 4.228 16.128 -8.924 1.00 0.00 C ATOM 1737 OE1 GLN A 115 4.847 15.271 -8.297 1.00 0.00 O ATOM 1738 NE2 GLN A 115 4.491 17.419 -8.788 1.00 0.00 N ATOM 0 H GLN A 115 1.630 13.850 -11.359 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.348 15.093 -9.522 1.00 0.00 H new ATOM 0 HB2 GLN A 115 1.454 16.675 -8.850 1.00 0.00 H new ATOM 0 HB3 GLN A 115 1.778 15.032 -8.336 1.00 0.00 H new ATOM 0 HG2 GLN A 115 3.324 14.770 -10.327 1.00 0.00 H new ATOM 0 HG3 GLN A 115 3.065 16.462 -10.703 1.00 0.00 H new ATOM 0 HE21 GLN A 115 3.960 18.107 -9.322 1.00 0.00 H new ATOM 0 HE22 GLN A 115 5.225 17.725 -8.149 1.00 0.00 H new ATOM 1747 N GLY A 116 0.658 15.771 -12.490 1.00 0.00 N ATOM 1748 CA GLY A 116 0.441 16.584 -13.677 1.00 0.00 C ATOM 1749 C GLY A 116 1.420 17.748 -13.778 1.00 0.00 C ATOM 1750 O GLY A 116 1.314 18.714 -13.019 1.00 0.00 O ATOM 0 H GLY A 116 1.135 14.889 -12.678 1.00 0.00 H new ATOM 0 HA2 GLY A 116 0.535 15.957 -14.564 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -0.578 16.971 -13.666 1.00 0.00 H new ATOM 1754 N THR A 117 2.345 17.677 -14.742 1.00 0.00 N ATOM 1755 CA THR A 117 3.385 18.700 -14.949 1.00 0.00 C ATOM 1756 C THR A 117 2.946 19.723 -16.042 1.00 0.00 C ATOM 1757 O THR A 117 2.497 19.352 -17.139 1.00 0.00 O ATOM 1758 CB THR A 117 4.764 18.027 -15.314 1.00 0.00 C ATOM 1759 OG1 THR A 117 5.786 19.025 -15.489 1.00 0.00 O ATOM 1760 CG2 THR A 117 4.680 17.139 -16.573 1.00 0.00 C ATOM 0 H THR A 117 2.396 16.905 -15.406 1.00 0.00 H new ATOM 0 HA THR A 117 3.518 19.248 -14.016 1.00 0.00 H new ATOM 0 HB THR A 117 5.023 17.380 -14.476 1.00 0.00 H new ATOM 0 HG1 THR A 117 6.425 18.972 -14.748 1.00 0.00 H new ATOM 0 HG21 THR A 117 5.658 16.702 -16.776 1.00 0.00 H new ATOM 0 HG22 THR A 117 3.954 16.343 -16.409 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.369 17.744 -17.425 1.00 0.00 H new ATOM 1768 N GLN A 118 3.029 21.025 -15.682 1.00 0.00 N ATOM 1769 CA GLN A 118 2.653 22.159 -16.549 1.00 0.00 C ATOM 1770 C GLN A 118 3.762 22.465 -17.562 1.00 0.00 C ATOM 1771 O GLN A 118 4.830 22.954 -17.192 1.00 0.00 O ATOM 1772 CB GLN A 118 2.340 23.424 -15.677 1.00 0.00 C ATOM 1773 CG GLN A 118 0.897 23.491 -15.133 1.00 0.00 C ATOM 1774 CD GLN A 118 -0.111 23.945 -16.196 1.00 0.00 C ATOM 1775 OE1 GLN A 118 -0.434 25.126 -16.302 1.00 0.00 O ATOM 1776 NE2 GLN A 118 -0.559 23.032 -17.028 1.00 0.00 N ATOM 0 H GLN A 118 3.365 21.319 -14.765 1.00 0.00 H new ATOM 0 HA GLN A 118 1.756 21.885 -17.105 1.00 0.00 H new ATOM 0 HB2 GLN A 118 3.033 23.449 -14.836 1.00 0.00 H new ATOM 0 HB3 GLN A 118 2.531 24.316 -16.274 1.00 0.00 H new ATOM 0 HG2 GLN A 118 0.608 22.509 -14.758 1.00 0.00 H new ATOM 0 HG3 GLN A 118 0.862 24.178 -14.287 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -0.275 22.058 -16.918 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -1.190 23.297 -17.784 1.00 0.00 H new ATOM 1785 N VAL A 119 3.499 22.150 -18.836 1.00 0.00 N ATOM 1786 CA VAL A 119 4.359 22.546 -19.962 1.00 0.00 C ATOM 1787 C VAL A 119 3.715 23.757 -20.666 1.00 0.00 C ATOM 1788 O VAL A 119 2.493 23.810 -20.829 1.00 0.00 O ATOM 1789 CB VAL A 119 4.588 21.356 -20.979 1.00 0.00 C ATOM 1790 CG1 VAL A 119 5.298 20.162 -20.291 1.00 0.00 C ATOM 1791 CG2 VAL A 119 3.267 20.896 -21.651 1.00 0.00 C ATOM 0 H VAL A 119 2.680 21.611 -19.118 1.00 0.00 H new ATOM 0 HA VAL A 119 5.343 22.817 -19.579 1.00 0.00 H new ATOM 0 HB VAL A 119 5.237 21.736 -21.768 1.00 0.00 H new ATOM 0 HG11 VAL A 119 5.442 19.359 -21.014 1.00 0.00 H new ATOM 0 HG12 VAL A 119 6.267 20.485 -19.910 1.00 0.00 H new ATOM 0 HG13 VAL A 119 4.685 19.801 -19.465 1.00 0.00 H new ATOM 0 HG21 VAL A 119 3.475 20.078 -22.340 1.00 0.00 H new ATOM 0 HG22 VAL A 119 2.568 20.557 -20.886 1.00 0.00 H new ATOM 0 HG23 VAL A 119 2.828 21.730 -22.199 1.00 0.00 H new ATOM 1801 N THR A 120 4.527 24.763 -21.011 1.00 0.00 N ATOM 1802 CA THR A 120 4.075 25.928 -21.788 1.00 0.00 C ATOM 1803 C THR A 120 5.100 26.185 -22.886 1.00 0.00 C ATOM 1804 O THR A 120 6.299 26.221 -22.617 1.00 0.00 O ATOM 1805 CB THR A 120 3.910 27.201 -20.889 1.00 0.00 C ATOM 1806 OG1 THR A 120 3.068 26.891 -19.773 1.00 0.00 O ATOM 1807 CG2 THR A 120 3.306 28.399 -21.656 1.00 0.00 C ATOM 0 H THR A 120 5.515 24.795 -20.761 1.00 0.00 H new ATOM 0 HA THR A 120 3.095 25.716 -22.215 1.00 0.00 H new ATOM 0 HB THR A 120 4.907 27.490 -20.557 1.00 0.00 H new ATOM 0 HG1 THR A 120 2.966 27.686 -19.210 1.00 0.00 H new ATOM 0 HG21 THR A 120 3.215 29.252 -20.984 1.00 0.00 H new ATOM 0 HG22 THR A 120 3.956 28.662 -22.490 1.00 0.00 H new ATOM 0 HG23 THR A 120 2.321 28.129 -22.035 1.00 0.00 H new ATOM 1815 N VAL A 121 4.645 26.317 -24.129 1.00 0.00 N ATOM 1816 CA VAL A 121 5.539 26.584 -25.263 1.00 0.00 C ATOM 1817 C VAL A 121 5.265 27.978 -25.841 1.00 0.00 C ATOM 1818 O VAL A 121 4.203 28.208 -26.433 1.00 0.00 O ATOM 1819 CB VAL A 121 5.389 25.481 -26.364 1.00 0.00 C ATOM 1820 CG1 VAL A 121 6.384 25.697 -27.529 1.00 0.00 C ATOM 1821 CG2 VAL A 121 5.545 24.069 -25.756 1.00 0.00 C ATOM 0 H VAL A 121 3.660 26.244 -24.382 1.00 0.00 H new ATOM 0 HA VAL A 121 6.568 26.558 -24.904 1.00 0.00 H new ATOM 0 HB VAL A 121 4.383 25.564 -26.776 1.00 0.00 H new ATOM 0 HG11 VAL A 121 6.249 24.912 -28.273 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.200 26.668 -27.989 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.404 25.664 -27.147 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.437 23.321 -26.541 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.531 23.976 -25.300 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.778 23.913 -24.998 1.00 0.00 H new ATOM 1831 N SER A 122 6.210 28.915 -25.616 1.00 0.00 N ATOM 1832 CA SER A 122 6.232 30.213 -26.311 1.00 0.00 C ATOM 1833 C SER A 122 6.374 30.046 -27.844 1.00 0.00 C ATOM 1834 O SER A 122 7.111 29.174 -28.313 1.00 0.00 O ATOM 1835 CB SER A 122 7.381 31.079 -25.755 1.00 0.00 C ATOM 1836 OG SER A 122 7.061 31.603 -24.487 1.00 0.00 O ATOM 0 H SER A 122 6.973 28.791 -24.951 1.00 0.00 H new ATOM 0 HA SER A 122 5.279 30.709 -26.128 1.00 0.00 H new ATOM 0 HB2 SER A 122 8.289 30.480 -25.685 1.00 0.00 H new ATOM 0 HB3 SER A 122 7.591 31.896 -26.446 1.00 0.00 H new ATOM 0 HG SER A 122 7.515 32.463 -24.364 1.00 0.00 H new ATOM 1842 N SER A 123 5.665 30.897 -28.606 1.00 0.00 N ATOM 1843 CA SER A 123 5.633 30.836 -30.078 1.00 0.00 C ATOM 1844 C SER A 123 6.950 31.371 -30.682 1.00 0.00 C ATOM 1845 O SER A 123 7.097 32.583 -30.888 1.00 0.00 O ATOM 1846 CB SER A 123 4.415 31.637 -30.602 1.00 0.00 C ATOM 1847 OG SER A 123 3.218 31.210 -29.979 1.00 0.00 O ATOM 0 H SER A 123 5.096 31.649 -28.217 1.00 0.00 H new ATOM 0 HA SER A 123 5.532 29.796 -30.388 1.00 0.00 H new ATOM 0 HB2 SER A 123 4.567 32.700 -30.415 1.00 0.00 H new ATOM 0 HB3 SER A 123 4.331 31.512 -31.682 1.00 0.00 H new ATOM 0 HG SER A 123 2.465 31.732 -30.326 1.00 0.00 H new ATOM 1853 N LEU A 124 7.926 30.449 -30.893 1.00 0.00 N ATOM 1854 CA LEU A 124 9.253 30.749 -31.502 1.00 0.00 C ATOM 1855 C LEU A 124 10.081 31.769 -30.676 1.00 0.00 C ATOM 1856 O LEU A 124 11.068 32.309 -31.183 1.00 0.00 O ATOM 1857 CB LEU A 124 9.121 31.251 -32.993 1.00 0.00 C ATOM 1858 CG LEU A 124 8.775 30.195 -34.092 1.00 0.00 C ATOM 1859 CD1 LEU A 124 9.775 29.027 -34.076 1.00 0.00 C ATOM 1860 CD2 LEU A 124 7.320 29.707 -33.990 1.00 0.00 C ATOM 0 H LEU A 124 7.814 29.466 -30.643 1.00 0.00 H new ATOM 0 HA LEU A 124 9.792 29.802 -31.498 1.00 0.00 H new ATOM 0 HB2 LEU A 124 8.353 32.024 -33.019 1.00 0.00 H new ATOM 0 HB3 LEU A 124 10.062 31.726 -33.270 1.00 0.00 H new ATOM 0 HG LEU A 124 8.867 30.692 -35.058 1.00 0.00 H new ATOM 0 HD11 LEU A 124 9.508 28.309 -34.851 1.00 0.00 H new ATOM 0 HD12 LEU A 124 10.780 29.406 -34.263 1.00 0.00 H new ATOM 0 HD13 LEU A 124 9.747 28.537 -33.103 1.00 0.00 H new ATOM 0 HD21 LEU A 124 7.126 28.975 -34.774 1.00 0.00 H new ATOM 0 HD22 LEU A 124 7.158 29.247 -33.015 1.00 0.00 H new ATOM 0 HD23 LEU A 124 6.643 30.553 -34.109 1.00 0.00 H new ATOM 1872 N GLU A 125 9.696 32.013 -29.409 1.00 0.00 N ATOM 1873 CA GLU A 125 10.339 33.042 -28.573 1.00 0.00 C ATOM 1874 C GLU A 125 11.642 32.517 -27.928 1.00 0.00 C ATOM 1875 O GLU A 125 12.719 32.593 -28.535 1.00 0.00 O ATOM 1876 CB GLU A 125 9.358 33.573 -27.496 1.00 0.00 C ATOM 1877 CG GLU A 125 8.070 34.224 -28.035 1.00 0.00 C ATOM 1878 CD GLU A 125 7.134 34.710 -26.912 1.00 0.00 C ATOM 1879 OE1 GLU A 125 6.080 34.081 -26.669 1.00 0.00 O ATOM 1880 OE2 GLU A 125 7.468 35.716 -26.246 1.00 0.00 O ATOM 0 H GLU A 125 8.941 31.510 -28.942 1.00 0.00 H new ATOM 0 HA GLU A 125 10.609 33.873 -29.224 1.00 0.00 H new ATOM 0 HB2 GLU A 125 9.080 32.746 -26.843 1.00 0.00 H new ATOM 0 HB3 GLU A 125 9.883 34.303 -26.880 1.00 0.00 H new ATOM 0 HG2 GLU A 125 8.334 35.068 -28.673 1.00 0.00 H new ATOM 0 HG3 GLU A 125 7.539 33.506 -28.660 1.00 0.00 H new ATOM 1887 N HIS A 126 11.541 31.959 -26.702 1.00 0.00 N ATOM 1888 CA HIS A 126 12.713 31.597 -25.878 1.00 0.00 C ATOM 1889 C HIS A 126 12.416 30.373 -25.004 1.00 0.00 C ATOM 1890 O HIS A 126 11.261 30.106 -24.655 1.00 0.00 O ATOM 1891 CB HIS A 126 13.120 32.780 -24.945 1.00 0.00 C ATOM 1892 CG HIS A 126 13.572 34.032 -25.657 1.00 0.00 C ATOM 1893 ND1 HIS A 126 12.782 35.156 -25.777 1.00 0.00 N ATOM 1894 CD2 HIS A 126 14.733 34.326 -26.286 1.00 0.00 C ATOM 1895 CE1 HIS A 126 13.437 36.084 -26.450 1.00 0.00 C ATOM 1896 NE2 HIS A 126 14.621 35.606 -26.768 1.00 0.00 N ATOM 0 H HIS A 126 10.648 31.748 -26.258 1.00 0.00 H new ATOM 0 HA HIS A 126 13.529 31.367 -26.564 1.00 0.00 H new ATOM 0 HB2 HIS A 126 12.271 33.029 -24.309 1.00 0.00 H new ATOM 0 HB3 HIS A 126 13.923 32.445 -24.288 1.00 0.00 H new ATOM 0 HD2 HIS A 126 15.588 33.675 -26.390 1.00 0.00 H new ATOM 0 HE1 HIS A 126 13.065 37.067 -26.697 1.00 0.00 H new ATOM 0 HE2 HIS A 126 15.341 36.107 -27.289 1.00 0.00 H new ATOM 1905 N HIS A 127 13.483 29.625 -24.680 1.00 0.00 N ATOM 1906 CA HIS A 127 13.499 28.683 -23.550 1.00 0.00 C ATOM 1907 C HIS A 127 14.146 29.406 -22.354 1.00 0.00 C ATOM 1908 O HIS A 127 14.959 30.321 -22.557 1.00 0.00 O ATOM 1909 CB HIS A 127 14.273 27.370 -23.899 1.00 0.00 C ATOM 1910 CG HIS A 127 15.765 27.530 -24.102 1.00 0.00 C ATOM 1911 ND1 HIS A 127 16.330 27.865 -25.314 1.00 0.00 N ATOM 1912 CD2 HIS A 127 16.806 27.390 -23.240 1.00 0.00 C ATOM 1913 CE1 HIS A 127 17.638 27.917 -25.192 1.00 0.00 C ATOM 1914 NE2 HIS A 127 17.954 27.636 -23.946 1.00 0.00 N ATOM 0 H HIS A 127 14.362 29.657 -25.197 1.00 0.00 H new ATOM 0 HA HIS A 127 12.481 28.379 -23.308 1.00 0.00 H new ATOM 0 HB2 HIS A 127 14.108 26.648 -23.100 1.00 0.00 H new ATOM 0 HB3 HIS A 127 13.843 26.945 -24.806 1.00 0.00 H new ATOM 0 HD1 HIS A 127 15.812 28.045 -26.174 1.00 0.00 H new ATOM 0 HD2 HIS A 127 16.741 27.133 -22.193 1.00 0.00 H new ATOM 0 HE1 HIS A 127 18.336 28.151 -25.982 1.00 0.00 H new ATOM 1923 N HIS A 128 13.801 29.000 -21.126 1.00 0.00 N ATOM 1924 CA HIS A 128 14.378 29.601 -19.903 1.00 0.00 C ATOM 1925 C HIS A 128 15.838 29.125 -19.741 1.00 0.00 C ATOM 1926 O HIS A 128 16.104 27.920 -19.832 1.00 0.00 O ATOM 1927 CB HIS A 128 13.540 29.213 -18.651 1.00 0.00 C ATOM 1928 CG HIS A 128 13.906 29.976 -17.394 1.00 0.00 C ATOM 1929 ND1 HIS A 128 15.023 29.702 -16.633 1.00 0.00 N ATOM 1930 CD2 HIS A 128 13.291 31.017 -16.778 1.00 0.00 C ATOM 1931 CE1 HIS A 128 15.076 30.533 -15.609 1.00 0.00 C ATOM 1932 NE2 HIS A 128 14.038 31.341 -15.674 1.00 0.00 N ATOM 0 H HIS A 128 13.125 28.258 -20.946 1.00 0.00 H new ATOM 0 HA HIS A 128 14.359 30.687 -19.997 1.00 0.00 H new ATOM 0 HB2 HIS A 128 12.485 29.380 -18.869 1.00 0.00 H new ATOM 0 HB3 HIS A 128 13.662 28.146 -18.463 1.00 0.00 H new ATOM 0 HD1 HIS A 128 15.704 28.969 -16.831 1.00 0.00 H new ATOM 0 HD2 HIS A 128 12.380 31.502 -17.098 1.00 0.00 H new ATOM 0 HE1 HIS A 128 15.841 30.548 -14.847 1.00 0.00 H new ATOM 1941 N HIS A 129 16.774 30.074 -19.542 1.00 0.00 N ATOM 1942 CA HIS A 129 18.197 29.756 -19.314 1.00 0.00 C ATOM 1943 C HIS A 129 18.375 29.037 -17.955 1.00 0.00 C ATOM 1944 O HIS A 129 18.260 29.654 -16.891 1.00 0.00 O ATOM 1945 CB HIS A 129 19.094 31.031 -19.436 1.00 0.00 C ATOM 1946 CG HIS A 129 18.705 32.209 -18.567 1.00 0.00 C ATOM 1947 ND1 HIS A 129 18.979 32.281 -17.219 1.00 0.00 N ATOM 1948 CD2 HIS A 129 18.093 33.377 -18.876 1.00 0.00 C ATOM 1949 CE1 HIS A 129 18.548 33.425 -16.739 1.00 0.00 C ATOM 1950 NE2 HIS A 129 18.009 34.112 -17.721 1.00 0.00 N ATOM 0 H HIS A 129 16.568 31.073 -19.535 1.00 0.00 H new ATOM 0 HA HIS A 129 18.530 29.072 -20.094 1.00 0.00 H new ATOM 0 HB2 HIS A 129 20.120 30.752 -19.196 1.00 0.00 H new ATOM 0 HB3 HIS A 129 19.087 31.356 -20.476 1.00 0.00 H new ATOM 0 HD1 HIS A 129 19.446 31.555 -16.676 1.00 0.00 H new ATOM 0 HD2 HIS A 129 17.737 33.675 -19.851 1.00 0.00 H new ATOM 0 HE1 HIS A 129 18.624 33.747 -15.711 1.00 0.00 H new ATOM 1959 N HIS A 130 18.571 27.705 -18.030 1.00 0.00 N ATOM 1960 CA HIS A 130 18.736 26.806 -16.864 1.00 0.00 C ATOM 1961 C HIS A 130 17.484 26.837 -15.940 1.00 0.00 C ATOM 1962 O HIS A 130 16.383 27.187 -16.391 1.00 0.00 O ATOM 1963 CB HIS A 130 20.045 27.142 -16.091 1.00 0.00 C ATOM 1964 CG HIS A 130 21.301 26.963 -16.905 1.00 0.00 C ATOM 1965 ND1 HIS A 130 22.074 28.013 -17.346 1.00 0.00 N ATOM 1966 CD2 HIS A 130 21.912 25.842 -17.356 1.00 0.00 C ATOM 1967 CE1 HIS A 130 23.097 27.552 -18.032 1.00 0.00 C ATOM 1968 NE2 HIS A 130 23.025 26.238 -18.054 1.00 0.00 N ATOM 0 H HIS A 130 18.620 27.211 -18.921 1.00 0.00 H new ATOM 0 HA HIS A 130 18.827 25.784 -17.232 1.00 0.00 H new ATOM 0 HB2 HIS A 130 19.994 28.173 -15.742 1.00 0.00 H new ATOM 0 HB3 HIS A 130 20.105 26.509 -15.206 1.00 0.00 H new ATOM 0 HD2 HIS A 130 21.584 24.825 -17.196 1.00 0.00 H new ATOM 0 HE1 HIS A 130 23.866 28.150 -18.498 1.00 0.00 H new ATOM 0 HE2 HIS A 130 23.689 25.615 -18.515 1.00 0.00 H new ATOM 1977 N HIS A 131 17.650 26.414 -14.668 1.00 0.00 N ATOM 1978 CA HIS A 131 16.577 26.489 -13.651 1.00 0.00 C ATOM 1979 C HIS A 131 16.373 27.951 -13.159 1.00 0.00 C ATOM 1980 O HIS A 131 17.378 28.655 -12.920 1.00 0.00 O ATOM 1981 CB HIS A 131 16.870 25.516 -12.471 1.00 0.00 C ATOM 1982 CG HIS A 131 18.171 25.760 -11.742 1.00 0.00 C ATOM 1983 ND1 HIS A 131 19.372 25.221 -12.149 1.00 0.00 N ATOM 1984 CD2 HIS A 131 18.448 26.471 -10.620 1.00 0.00 C ATOM 1985 CE1 HIS A 131 20.322 25.587 -11.315 1.00 0.00 C ATOM 1986 NE2 HIS A 131 19.792 26.346 -10.380 1.00 0.00 N ATOM 1987 OXT HIS A 131 15.214 28.385 -12.994 1.00 0.00 O ATOM 0 H HIS A 131 18.522 26.015 -14.319 1.00 0.00 H new ATOM 0 HA HIS A 131 15.642 26.173 -14.114 1.00 0.00 H new ATOM 0 HB2 HIS A 131 16.052 25.584 -11.754 1.00 0.00 H new ATOM 0 HB3 HIS A 131 16.873 24.496 -12.855 1.00 0.00 H new ATOM 0 HD2 HIS A 131 17.741 27.031 -10.026 1.00 0.00 H new ATOM 0 HE1 HIS A 131 21.364 25.310 -11.386 1.00 0.00 H new ATOM 0 HE2 HIS A 131 20.298 26.772 -9.604 1.00 0.00 H new TER 1996 HIS A 131