USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 0 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 126 LYS NZ :NH3+ -130:sc= 0.772 (180deg=0) USER MOD Set 1.2: A 130 SER OG : rot 85:sc= 0.904 USER MOD Set 2.1: A 113 SER OG : rot -68:sc= 0.076 USER MOD Set 2.2: A 116 HIS : no HE2:sc= -1.98 X(o=-2.8,f=-3) USER MOD Set 2.3: A 119 LYS NZ :NH3+ -138:sc= -0.913 (180deg=0) USER MOD Set 3.1: A 109 ASN : amide:sc= 1.4 K(o=2.4,f=0.36) USER MOD Set 3.2: A 111 TYR OH : rot 40:sc= 0.962 USER MOD Set 4.1: A 90 SER OG : rot -98:sc= 1.22 USER MOD Set 4.2: A 97 CYS SG : rot 172:sc= -0.415 USER MOD Set 5.1: A 77 GLN : amide:sc= -1.56! C(o=-2.3!,f=-8.4!) USER MOD Set 5.2: A 91 GLN : amide:sc= -0.705 K(o=-2.3,f=-8.4!) USER MOD Set 6.1: A 72 SER OG : rot -110:sc= 1.1 USER MOD Set 6.2: A 75 THR OG1 : rot 158:sc= 0.706 USER MOD Set 7.1: A 52 SER OG : rot 31:sc= 0.84 USER MOD Set 7.2: A 54 GLN : amide:sc= 0.311 K(o=-2.3,f=-6.3) USER MOD Set 7.3: A 55 HIS : no HD1:sc= -3.41! C(o=-2.3!,f=-8.2!) USER MOD Set 8.1: A 32 ASN : amide:sc= -2.31! C(o=-7.6!,f=-8.5!) USER MOD Set 8.2: A 35 HIS : no HD1:sc= -5.24! C(o=-7.6!,f=-19!) USER MOD Single : A 29 TYR OH : rot -170:sc= 1.23 USER MOD Single : A 30 CYS SG : rot 76:sc= -1.54! USER MOD Single : A 31 SER OG : rot -51:sc= 0.271 USER MOD Single : A 44 THR OG1 : rot 147:sc= 0.542 USER MOD Single : A 48 THR OG1 : rot -170:sc= 0.00584 USER MOD Single : A 57 GLN : amide:sc= -0.957 X(o=-0.96,f=-0.55) USER MOD Single : A 59 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.21) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -125:sc= 0.437 USER MOD Single : A 69 TYR OH : rot 180:sc= -0.391 USER MOD Single : A 71 LYS NZ :NH3+ 174:sc= -0.026 (180deg=-0.0971) USER MOD Single : A 73 THR OG1 : rot 28:sc= 0.66 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -107:sc= -1.2 (180deg=-2.57) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.00856 USER MOD Single : A 88 TYR OH : rot -9:sc= 0.0476 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0103 USER MOD Single : A 94 ASN : amide:sc= -0.324 K(o=-0.32,f=-3.7!) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 154:sc= 0.961 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.0413) USER MOD Single : A 120 ASN : amide:sc= -0.0226 X(o=-0.023,f=0) USER MOD Single : A 127 LYS NZ :NH3+ 137:sc= -0.392 (180deg=-1.53) USER MOD Single : A 128 ASN : amide:sc= -1.62! C(o=-1.6!,f=-5.5!) USER MOD Single : A 131 CYS SG : rot -150:sc= -1.16 USER MOD Single : A 132 LYS NZ :NH3+ -112:sc= 0.25 (180deg=0) USER MOD Single : A 137 THR OG1 : rot 127:sc= 0.0542 USER MOD Single : A 138 HIS : no HE2:sc= 0.474 K(o=0.47,f=-3!) USER MOD Single : A 139 TYR OH : rot 0:sc= -1.65! USER MOD Single : A 141 GLN : amide:sc= -4.7! C(o=-4.7!,f=-4!) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 SER OG : rot 180:sc= -0.0624 USER MOD Single : A 153 SER OG : rot -59:sc= 0.135 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 28 -8.403 12.154 5.382 1.00 0.00 N ATOM 2 CA LEU A 28 -8.760 11.033 4.488 1.00 0.00 C ATOM 3 C LEU A 28 -8.176 9.680 4.950 1.00 0.00 C ATOM 4 O LEU A 28 -7.011 9.585 5.358 1.00 0.00 O ATOM 5 CB LEU A 28 -8.313 11.394 3.062 1.00 0.00 C ATOM 6 CG LEU A 28 -8.638 10.341 1.991 1.00 0.00 C ATOM 7 CD1 LEU A 28 -10.150 10.133 1.822 1.00 0.00 C ATOM 8 CD2 LEU A 28 -8.015 10.774 0.665 1.00 0.00 C ATOM 0 HA LEU A 28 -9.841 10.894 4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.783 12.336 2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.236 11.564 3.067 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.220 9.387 2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.330 9.380 1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.579 9.798 2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.616 11.073 1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.240 10.033 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.425 11.739 0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.935 10.859 0.781 1.00 0.00 H new ATOM 9 N TYR A 29 -9.061 8.696 5.007 1.00 0.00 N ATOM 10 CA TYR A 29 -8.711 7.311 5.332 1.00 0.00 C ATOM 11 C TYR A 29 -9.181 6.305 4.288 1.00 0.00 C ATOM 12 O TYR A 29 -10.220 6.475 3.644 1.00 0.00 O ATOM 13 CB TYR A 29 -9.270 6.918 6.703 1.00 0.00 C ATOM 14 CG TYR A 29 -8.422 7.394 7.891 1.00 0.00 C ATOM 15 CD1 TYR A 29 -7.028 7.588 7.748 1.00 0.00 C ATOM 16 CD2 TYR A 29 -9.061 7.553 9.147 1.00 0.00 C ATOM 17 CE1 TYR A 29 -6.258 7.938 8.866 1.00 0.00 C ATOM 18 CE2 TYR A 29 -8.284 7.914 10.269 1.00 0.00 C ATOM 19 CZ TYR A 29 -6.897 8.111 10.106 1.00 0.00 C ATOM 20 OH TYR A 29 -6.140 8.486 11.175 1.00 0.00 O ATOM 0 H TYR A 29 -10.056 8.833 4.828 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.622 7.277 5.346 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.276 7.326 6.803 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.361 5.833 6.748 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.559 7.467 6.783 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.126 7.400 9.244 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.190 8.073 8.776 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.745 8.037 11.238 1.00 0.00 H new ATOM 0 HH TYR A 29 -6.673 8.415 11.994 1.00 0.00 H new ATOM 21 N CYS A 30 -8.359 5.274 4.134 1.00 0.00 N ATOM 22 CA CYS A 30 -8.653 4.145 3.228 1.00 0.00 C ATOM 23 C CYS A 30 -9.845 3.355 3.790 1.00 0.00 C ATOM 24 O CYS A 30 -9.876 3.032 4.972 1.00 0.00 O ATOM 25 CB CYS A 30 -7.439 3.222 3.091 1.00 0.00 C ATOM 26 SG CYS A 30 -5.884 4.148 2.786 1.00 0.00 S ATOM 0 H CYS A 30 -7.470 5.187 4.627 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.893 4.537 2.240 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.333 2.629 3.999 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.609 2.523 2.272 1.00 0.00 H new ATOM 0 HG CYS A 30 -5.476 4.689 3.896 1.00 0.00 H new ATOM 27 N SER A 31 -10.687 2.900 2.872 1.00 0.00 N ATOM 28 CA SER A 31 -11.960 2.210 3.219 1.00 0.00 C ATOM 29 C SER A 31 -11.745 0.710 3.470 1.00 0.00 C ATOM 30 O SER A 31 -12.453 -0.178 2.973 1.00 0.00 O ATOM 31 CB SER A 31 -12.983 2.500 2.114 1.00 0.00 C ATOM 32 OG SER A 31 -14.250 1.931 2.432 1.00 0.00 O ATOM 0 H SER A 31 -10.525 2.989 1.869 1.00 0.00 H new ATOM 0 HA SER A 31 -12.351 2.596 4.161 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.086 3.577 1.982 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.626 2.096 1.167 1.00 0.00 H new ATOM 0 HG SER A 31 -14.134 0.988 2.672 1.00 0.00 H new ATOM 33 N ASN A 32 -10.811 0.499 4.386 1.00 0.00 N ATOM 34 CA ASN A 32 -10.316 -0.804 4.838 1.00 0.00 C ATOM 35 C ASN A 32 -10.821 -1.178 6.255 1.00 0.00 C ATOM 36 O ASN A 32 -10.876 -2.345 6.627 1.00 0.00 O ATOM 37 CB ASN A 32 -8.791 -0.758 4.785 1.00 0.00 C ATOM 38 CG ASN A 32 -8.117 -0.075 5.989 1.00 0.00 C ATOM 39 OD1 ASN A 32 -7.909 1.127 6.085 1.00 0.00 O ATOM 40 ND2 ASN A 32 -7.853 -0.910 6.970 1.00 0.00 N ATOM 0 H ASN A 32 -10.349 1.273 4.864 1.00 0.00 H new ATOM 0 HA ASN A 32 -10.702 -1.584 4.181 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -8.414 -1.778 4.708 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.490 -0.237 3.876 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.462 -0.561 7.845 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.039 -1.906 6.856 1.00 0.00 H new ATOM 41 N GLY A 33 -10.992 -0.108 7.017 1.00 0.00 N ATOM 42 CA GLY A 33 -11.267 -0.011 8.470 1.00 0.00 C ATOM 43 C GLY A 33 -11.088 1.480 8.785 1.00 0.00 C ATOM 44 O GLY A 33 -11.837 2.050 9.587 1.00 0.00 O ATOM 0 H GLY A 33 -10.938 0.822 6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.275 -0.351 8.709 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.578 -0.626 9.048 1.00 0.00 H new ATOM 45 N GLY A 34 -9.940 1.980 8.331 1.00 0.00 N ATOM 46 CA GLY A 34 -9.727 3.400 8.025 1.00 0.00 C ATOM 47 C GLY A 34 -8.352 3.908 8.452 1.00 0.00 C ATOM 48 O GLY A 34 -8.194 4.373 9.581 1.00 0.00 O ATOM 0 H GLY A 34 -9.116 1.403 8.162 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.848 3.556 6.953 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.496 3.991 8.522 1.00 0.00 H new ATOM 49 N HIS A 35 -7.375 3.749 7.559 1.00 0.00 N ATOM 50 CA HIS A 35 -5.994 4.155 7.844 1.00 0.00 C ATOM 51 C HIS A 35 -5.291 4.787 6.623 1.00 0.00 C ATOM 52 O HIS A 35 -5.926 5.074 5.609 1.00 0.00 O ATOM 53 CB HIS A 35 -5.207 2.925 8.336 1.00 0.00 C ATOM 54 CG HIS A 35 -5.953 1.968 9.273 1.00 0.00 C ATOM 55 ND1 HIS A 35 -6.753 1.004 8.857 1.00 0.00 N ATOM 56 CD2 HIS A 35 -6.023 2.046 10.594 1.00 0.00 C ATOM 57 CE1 HIS A 35 -7.325 0.474 9.927 1.00 0.00 C ATOM 58 NE2 HIS A 35 -6.902 1.134 11.002 1.00 0.00 N ATOM 0 H HIS A 35 -7.511 3.343 6.633 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.023 4.925 8.614 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -4.876 2.360 7.464 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.311 3.275 8.848 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.468 2.725 11.224 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.018 -0.354 9.927 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -7.198 0.971 11.964 1.00 0.00 H new ATOM 59 N PHE A 36 -3.966 4.870 6.718 1.00 0.00 N ATOM 60 CA PHE A 36 -3.070 5.371 5.652 1.00 0.00 C ATOM 61 C PHE A 36 -1.807 4.515 5.707 1.00 0.00 C ATOM 62 O PHE A 36 -1.296 4.231 6.786 1.00 0.00 O ATOM 63 CB PHE A 36 -2.737 6.850 5.850 1.00 0.00 C ATOM 64 CG PHE A 36 -3.453 7.792 4.870 1.00 0.00 C ATOM 65 CD1 PHE A 36 -4.289 7.315 3.834 1.00 0.00 C ATOM 66 CD2 PHE A 36 -3.213 9.176 5.010 1.00 0.00 C ATOM 67 CE1 PHE A 36 -4.881 8.225 2.921 1.00 0.00 C ATOM 68 CE2 PHE A 36 -3.787 10.087 4.110 1.00 0.00 C ATOM 69 CZ PHE A 36 -4.625 9.601 3.078 1.00 0.00 C ATOM 0 H PHE A 36 -3.462 4.585 7.558 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.553 5.296 4.678 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.998 7.137 6.869 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.660 6.986 5.747 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.477 6.256 3.738 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.586 9.535 5.812 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.515 7.870 2.122 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.592 11.145 4.204 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.079 10.303 2.394 1.00 0.00 H new ATOM 70 N LEU A 37 -1.413 4.016 4.540 1.00 0.00 N ATOM 71 CA LEU A 37 -0.266 3.099 4.382 1.00 0.00 C ATOM 72 C LEU A 37 1.053 3.573 5.025 1.00 0.00 C ATOM 73 O LEU A 37 1.884 2.760 5.441 1.00 0.00 O ATOM 74 CB LEU A 37 -0.101 2.663 2.921 1.00 0.00 C ATOM 75 CG LEU A 37 -0.256 3.788 1.891 1.00 0.00 C ATOM 76 CD1 LEU A 37 1.078 4.494 1.633 1.00 0.00 C ATOM 77 CD2 LEU A 37 -0.776 3.212 0.581 1.00 0.00 C ATOM 0 H LEU A 37 -1.881 4.234 3.660 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.521 2.217 4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.884 2.213 2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.835 1.887 2.703 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.962 4.516 2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.934 5.286 0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.448 4.925 2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.803 3.774 1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.886 4.013 -0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.071 2.471 0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.744 2.740 0.750 1.00 0.00 H new ATOM 78 N ARG A 38 1.185 4.902 5.066 1.00 0.00 N ATOM 79 CA ARG A 38 2.195 5.683 5.800 1.00 0.00 C ATOM 80 C ARG A 38 3.678 5.522 5.424 1.00 0.00 C ATOM 81 O ARG A 38 4.323 6.525 5.168 1.00 0.00 O ATOM 82 CB ARG A 38 1.867 5.667 7.298 1.00 0.00 C ATOM 83 CG ARG A 38 2.804 6.515 8.166 1.00 0.00 C ATOM 84 CD ARG A 38 2.361 6.757 9.604 1.00 0.00 C ATOM 85 NE ARG A 38 1.980 5.486 10.220 1.00 0.00 N ATOM 86 CZ ARG A 38 1.681 5.260 11.500 1.00 0.00 C ATOM 87 NH1 ARG A 38 1.665 6.236 12.403 1.00 0.00 N ATOM 88 NH2 ARG A 38 1.287 4.060 11.896 1.00 0.00 N ATOM 0 H ARG A 38 0.545 5.507 4.552 1.00 0.00 H new ATOM 0 HA ARG A 38 2.093 6.703 5.430 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.845 6.021 7.437 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.898 4.637 7.652 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.781 6.032 8.186 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.936 7.483 7.682 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.169 7.220 10.171 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.519 7.449 9.624 1.00 0.00 H new ATOM 0 HE ARG A 38 1.938 4.679 9.598 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.886 7.192 12.125 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.432 6.029 13.374 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.210 3.300 11.220 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.060 3.896 12.877 1.00 0.00 H new ATOM 89 N ILE A 39 4.167 4.294 5.235 1.00 0.00 N ATOM 90 CA ILE A 39 5.590 3.993 4.917 1.00 0.00 C ATOM 91 C ILE A 39 6.513 4.764 5.879 1.00 0.00 C ATOM 92 O ILE A 39 7.140 5.791 5.590 1.00 0.00 O ATOM 93 CB ILE A 39 5.934 4.262 3.438 1.00 0.00 C ATOM 94 CG1 ILE A 39 4.770 3.963 2.473 1.00 0.00 C ATOM 95 CG2 ILE A 39 7.097 3.342 3.064 1.00 0.00 C ATOM 96 CD1 ILE A 39 4.813 4.835 1.218 1.00 0.00 C ATOM 0 H ILE A 39 3.586 3.458 5.297 1.00 0.00 H new ATOM 0 HA ILE A 39 5.752 2.925 5.064 1.00 0.00 H new ATOM 0 HB ILE A 39 6.172 5.321 3.341 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.803 2.913 2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.824 4.122 2.990 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.369 3.505 2.021 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.954 3.562 3.701 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.798 2.303 3.203 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.972 4.585 0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.752 5.885 1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.746 4.658 0.684 1.00 0.00 H new ATOM 97 N LEU A 40 6.604 4.131 7.036 1.00 0.00 N ATOM 98 CA LEU A 40 7.104 4.696 8.313 1.00 0.00 C ATOM 99 C LEU A 40 8.633 4.809 8.381 1.00 0.00 C ATOM 100 O LEU A 40 9.282 3.847 7.972 1.00 0.00 O ATOM 101 CB LEU A 40 6.651 3.808 9.473 1.00 0.00 C ATOM 102 CG LEU A 40 5.232 4.112 9.897 1.00 0.00 C ATOM 103 CD1 LEU A 40 4.260 3.505 8.901 1.00 0.00 C ATOM 104 CD2 LEU A 40 5.000 3.566 11.298 1.00 0.00 C ATOM 0 H LEU A 40 6.320 3.156 7.133 1.00 0.00 H new ATOM 0 HA LEU A 40 6.692 5.703 8.379 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.725 2.761 9.179 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.321 3.949 10.321 1.00 0.00 H new ATOM 0 HG LEU A 40 5.068 5.189 9.915 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.238 3.726 9.209 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.440 3.928 7.913 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.403 2.425 8.865 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.978 3.783 11.608 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.159 2.488 11.299 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.697 4.036 11.992 1.00 0.00 H new ATOM 105 N PRO A 41 9.155 5.728 9.214 1.00 0.00 N ATOM 106 CA PRO A 41 10.609 5.899 9.419 1.00 0.00 C ATOM 107 C PRO A 41 11.346 4.638 9.916 1.00 0.00 C ATOM 108 O PRO A 41 12.523 4.469 9.634 1.00 0.00 O ATOM 109 CB PRO A 41 10.733 7.057 10.421 1.00 0.00 C ATOM 110 CG PRO A 41 9.403 7.046 11.184 1.00 0.00 C ATOM 111 CD PRO A 41 8.387 6.606 10.137 1.00 0.00 C ATOM 0 HA PRO A 41 11.094 6.104 8.465 1.00 0.00 H new ATOM 0 HB2 PRO A 41 11.578 6.911 11.094 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.891 8.008 9.912 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.432 6.357 12.028 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.164 8.031 11.585 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.555 6.070 10.593 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.965 7.462 9.610 1.00 0.00 H new ATOM 112 N ASP A 42 10.582 3.714 10.500 1.00 0.00 N ATOM 113 CA ASP A 42 11.040 2.392 10.969 1.00 0.00 C ATOM 114 C ASP A 42 11.373 1.381 9.833 1.00 0.00 C ATOM 115 O ASP A 42 11.744 0.251 10.136 1.00 0.00 O ATOM 116 CB ASP A 42 9.917 1.847 11.849 1.00 0.00 C ATOM 117 CG ASP A 42 10.317 0.636 12.695 1.00 0.00 C ATOM 118 OD1 ASP A 42 11.238 0.804 13.523 1.00 0.00 O ATOM 119 OD2 ASP A 42 9.600 -0.385 12.587 1.00 0.00 O ATOM 0 H ASP A 42 9.588 3.865 10.669 1.00 0.00 H new ATOM 0 HA ASP A 42 11.982 2.517 11.503 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.571 2.641 12.511 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.074 1.571 11.215 1.00 0.00 H new ATOM 120 N GLY A 43 11.228 1.813 8.579 1.00 0.00 N ATOM 121 CA GLY A 43 11.358 0.977 7.378 1.00 0.00 C ATOM 122 C GLY A 43 10.227 -0.067 7.302 1.00 0.00 C ATOM 123 O GLY A 43 10.404 -1.140 6.732 1.00 0.00 O ATOM 0 H GLY A 43 11.010 2.785 8.361 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.336 1.607 6.489 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.324 0.471 7.386 1.00 0.00 H new ATOM 124 N THR A 44 9.016 0.394 7.609 1.00 0.00 N ATOM 125 CA THR A 44 7.863 -0.508 7.805 1.00 0.00 C ATOM 126 C THR A 44 6.617 0.193 7.277 1.00 0.00 C ATOM 127 O THR A 44 6.473 1.402 7.381 1.00 0.00 O ATOM 128 CB THR A 44 7.696 -0.823 9.299 1.00 0.00 C ATOM 129 OG1 THR A 44 8.993 -1.135 9.817 1.00 0.00 O ATOM 130 CG2 THR A 44 6.755 -1.997 9.549 1.00 0.00 C ATOM 0 H THR A 44 8.799 1.383 7.729 1.00 0.00 H new ATOM 0 HA THR A 44 8.021 -1.445 7.271 1.00 0.00 H new ATOM 0 HB THR A 44 7.256 0.043 9.793 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.057 -0.828 10.746 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.673 -2.176 10.621 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.770 -1.766 9.144 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.148 -2.889 9.061 1.00 0.00 H new ATOM 131 N VAL A 45 5.726 -0.597 6.704 1.00 0.00 N ATOM 132 CA VAL A 45 4.475 -0.042 6.177 1.00 0.00 C ATOM 133 C VAL A 45 3.332 -0.446 7.108 1.00 0.00 C ATOM 134 O VAL A 45 3.060 -1.628 7.338 1.00 0.00 O ATOM 135 CB VAL A 45 4.290 -0.461 4.720 1.00 0.00 C ATOM 136 CG1 VAL A 45 2.916 -0.109 4.153 1.00 0.00 C ATOM 137 CG2 VAL A 45 5.375 0.176 3.848 1.00 0.00 C ATOM 0 H VAL A 45 5.834 -1.605 6.589 1.00 0.00 H new ATOM 0 HA VAL A 45 4.494 1.048 6.160 1.00 0.00 H new ATOM 0 HB VAL A 45 4.372 -1.548 4.704 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.856 -0.436 3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.143 -0.609 4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.767 0.970 4.203 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.234 -0.129 2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.308 1.262 3.919 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.356 -0.150 4.192 1.00 0.00 H new ATOM 138 N ASP A 46 2.799 0.577 7.755 1.00 0.00 N ATOM 139 CA ASP A 46 1.704 0.426 8.722 1.00 0.00 C ATOM 140 C ASP A 46 0.623 1.489 8.525 1.00 0.00 C ATOM 141 O ASP A 46 0.935 2.668 8.382 1.00 0.00 O ATOM 142 CB ASP A 46 2.145 0.562 10.185 1.00 0.00 C ATOM 143 CG ASP A 46 3.254 -0.406 10.578 1.00 0.00 C ATOM 144 OD1 ASP A 46 2.875 -1.520 10.997 1.00 0.00 O ATOM 145 OD2 ASP A 46 4.436 0.006 10.484 1.00 0.00 O ATOM 0 H ASP A 46 3.108 1.541 7.630 1.00 0.00 H new ATOM 0 HA ASP A 46 1.334 -0.582 8.533 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.485 1.583 10.360 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.284 0.398 10.833 1.00 0.00 H new ATOM 146 N GLY A 47 -0.601 1.008 8.570 1.00 0.00 N ATOM 147 CA GLY A 47 -1.786 1.858 8.736 1.00 0.00 C ATOM 148 C GLY A 47 -1.786 2.493 10.128 1.00 0.00 C ATOM 149 O GLY A 47 -0.953 2.177 10.982 1.00 0.00 O ATOM 0 H GLY A 47 -0.815 0.014 8.493 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.795 2.636 7.973 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.690 1.266 8.598 1.00 0.00 H new ATOM 150 N THR A 48 -2.862 3.226 10.386 1.00 0.00 N ATOM 151 CA THR A 48 -2.929 4.171 11.513 1.00 0.00 C ATOM 152 C THR A 48 -4.351 4.653 11.810 1.00 0.00 C ATOM 153 O THR A 48 -5.085 5.058 10.903 1.00 0.00 O ATOM 154 CB THR A 48 -2.031 5.379 11.194 1.00 0.00 C ATOM 155 OG1 THR A 48 -1.952 6.184 12.361 1.00 0.00 O ATOM 156 CG2 THR A 48 -2.434 6.164 9.937 1.00 0.00 C ATOM 0 H THR A 48 -3.714 3.188 9.827 1.00 0.00 H new ATOM 0 HA THR A 48 -2.586 3.646 12.405 1.00 0.00 H new ATOM 0 HB THR A 48 -1.039 5.011 10.930 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.519 7.036 12.142 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.745 6.996 9.792 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.396 5.506 9.069 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.447 6.548 10.057 1.00 0.00 H new ATOM 157 N ARG A 49 -4.740 4.517 13.067 1.00 0.00 N ATOM 158 CA ARG A 49 -5.970 5.153 13.573 1.00 0.00 C ATOM 159 C ARG A 49 -5.853 6.681 13.670 1.00 0.00 C ATOM 160 O ARG A 49 -6.828 7.402 13.468 1.00 0.00 O ATOM 161 CB ARG A 49 -6.365 4.573 14.940 1.00 0.00 C ATOM 162 CG ARG A 49 -6.896 3.139 14.813 1.00 0.00 C ATOM 163 CD ARG A 49 -8.233 3.120 14.073 1.00 0.00 C ATOM 164 NE ARG A 49 -8.588 1.739 13.711 1.00 0.00 N ATOM 165 CZ ARG A 49 -9.431 1.378 12.751 1.00 0.00 C ATOM 166 NH1 ARG A 49 -10.017 2.260 11.953 1.00 0.00 N ATOM 167 NH2 ARG A 49 -9.683 0.097 12.537 1.00 0.00 N ATOM 0 H ARG A 49 -4.230 3.975 13.764 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.750 4.931 12.845 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.501 4.584 15.604 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.127 5.204 15.397 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.171 2.524 14.280 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.017 2.702 15.804 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.012 3.552 14.701 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.170 3.735 13.175 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.147 0.991 14.246 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.826 3.256 12.065 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.659 1.943 11.227 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.229 -0.615 13.110 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.331 -0.179 11.799 1.00 0.00 H new ATOM 168 N ASP A 50 -4.617 7.162 13.826 1.00 0.00 N ATOM 169 CA ASP A 50 -4.323 8.591 14.040 1.00 0.00 C ATOM 170 C ASP A 50 -3.045 8.978 13.286 1.00 0.00 C ATOM 171 O ASP A 50 -1.939 8.728 13.767 1.00 0.00 O ATOM 172 CB ASP A 50 -4.172 8.828 15.550 1.00 0.00 C ATOM 173 CG ASP A 50 -4.317 10.294 15.987 1.00 0.00 C ATOM 174 OD1 ASP A 50 -3.940 11.197 15.210 1.00 0.00 O ATOM 175 OD2 ASP A 50 -4.811 10.475 17.123 1.00 0.00 O ATOM 0 H ASP A 50 -3.785 6.573 13.808 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.132 9.213 13.657 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.918 8.231 16.074 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.194 8.464 15.865 1.00 0.00 H new ATOM 176 N ARG A 51 -3.251 9.467 12.075 1.00 0.00 N ATOM 177 CA ARG A 51 -2.163 9.980 11.204 1.00 0.00 C ATOM 178 C ARG A 51 -1.119 10.824 11.946 1.00 0.00 C ATOM 179 O ARG A 51 -1.372 11.906 12.474 1.00 0.00 O ATOM 180 CB ARG A 51 -2.700 10.874 10.092 1.00 0.00 C ATOM 181 CG ARG A 51 -3.609 10.180 9.085 1.00 0.00 C ATOM 182 CD ARG A 51 -4.143 11.260 8.155 1.00 0.00 C ATOM 183 NE ARG A 51 -5.567 10.991 7.877 1.00 0.00 N ATOM 184 CZ ARG A 51 -6.603 11.520 8.542 1.00 0.00 C ATOM 185 NH1 ARG A 51 -6.483 12.508 9.418 1.00 0.00 N ATOM 186 NH2 ARG A 51 -7.831 11.143 8.202 1.00 0.00 N ATOM 0 H ARG A 51 -4.176 9.527 11.650 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.700 9.074 10.814 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.249 11.700 10.544 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.856 11.308 9.557 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.059 9.425 8.524 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.427 9.668 9.592 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.027 12.242 8.613 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.573 11.272 7.226 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.781 10.348 7.114 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.565 12.906 9.616 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.309 12.870 9.894 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.967 10.466 7.451 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.637 11.530 8.692 1.00 0.00 H new ATOM 187 N SER A 52 0.076 10.273 11.945 1.00 0.00 N ATOM 188 CA SER A 52 1.304 11.028 12.201 1.00 0.00 C ATOM 189 C SER A 52 1.646 11.677 10.857 1.00 0.00 C ATOM 190 O SER A 52 1.980 11.009 9.878 1.00 0.00 O ATOM 191 CB SER A 52 2.428 10.133 12.708 1.00 0.00 C ATOM 192 OG SER A 52 2.596 9.004 11.844 1.00 0.00 O ATOM 0 H SER A 52 0.234 9.281 11.766 1.00 0.00 H new ATOM 0 HA SER A 52 1.170 11.770 12.988 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.357 10.700 12.760 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.204 9.795 13.720 1.00 0.00 H new ATOM 0 HG SER A 52 2.357 9.255 10.927 1.00 0.00 H new ATOM 193 N ASP A 53 1.065 12.872 10.808 1.00 0.00 N ATOM 194 CA ASP A 53 1.051 13.805 9.654 1.00 0.00 C ATOM 195 C ASP A 53 2.464 14.200 9.180 1.00 0.00 C ATOM 196 O ASP A 53 3.042 15.211 9.560 1.00 0.00 O ATOM 197 CB ASP A 53 0.152 15.028 9.891 1.00 0.00 C ATOM 198 CG ASP A 53 0.700 16.032 10.924 1.00 0.00 C ATOM 199 OD1 ASP A 53 0.954 15.590 12.065 1.00 0.00 O ATOM 200 OD2 ASP A 53 0.810 17.219 10.549 1.00 0.00 O ATOM 0 H ASP A 53 0.560 13.249 11.610 1.00 0.00 H new ATOM 0 HA ASP A 53 0.602 13.247 8.832 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.006 15.545 8.943 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.828 14.684 10.221 1.00 0.00 H new ATOM 201 N GLN A 54 3.034 13.157 8.603 1.00 0.00 N ATOM 202 CA GLN A 54 4.389 13.112 8.049 1.00 0.00 C ATOM 203 C GLN A 54 4.470 11.969 7.013 1.00 0.00 C ATOM 204 O GLN A 54 3.950 12.154 5.911 1.00 0.00 O ATOM 205 CB GLN A 54 5.375 12.986 9.222 1.00 0.00 C ATOM 206 CG GLN A 54 6.812 13.243 8.778 1.00 0.00 C ATOM 207 CD GLN A 54 7.843 13.210 9.906 1.00 0.00 C ATOM 208 OE1 GLN A 54 7.703 12.563 10.942 1.00 0.00 O ATOM 209 NE2 GLN A 54 8.936 13.908 9.703 1.00 0.00 N ATOM 0 H GLN A 54 2.544 12.268 8.499 1.00 0.00 H new ATOM 0 HA GLN A 54 4.655 14.021 7.509 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.103 13.695 10.004 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.300 11.989 9.655 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.086 12.498 8.031 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.859 14.216 8.289 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.047 14.443 8.842 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.674 13.915 10.407 1.00 0.00 H new ATOM 210 N HIS A 55 4.772 10.743 7.438 1.00 0.00 N ATOM 211 CA HIS A 55 5.080 9.621 6.536 1.00 0.00 C ATOM 212 C HIS A 55 3.902 9.299 5.588 1.00 0.00 C ATOM 213 O HIS A 55 4.078 9.291 4.374 1.00 0.00 O ATOM 214 CB HIS A 55 5.500 8.396 7.387 1.00 0.00 C ATOM 215 CG HIS A 55 6.029 8.733 8.792 1.00 0.00 C ATOM 216 ND1 HIS A 55 5.358 8.518 9.932 1.00 0.00 N ATOM 217 CD2 HIS A 55 7.037 9.553 9.077 1.00 0.00 C ATOM 218 CE1 HIS A 55 5.920 9.236 10.890 1.00 0.00 C ATOM 219 NE2 HIS A 55 6.954 9.877 10.364 1.00 0.00 N ATOM 0 H HIS A 55 4.812 10.493 8.426 1.00 0.00 H new ATOM 0 HA HIS A 55 5.909 9.901 5.886 1.00 0.00 H new ATOM 0 HB2 HIS A 55 4.642 7.731 7.488 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.270 7.844 6.848 1.00 0.00 H new ATOM 0 HD2 HIS A 55 7.791 9.896 8.384 1.00 0.00 H new ATOM 0 HE1 HIS A 55 5.594 9.290 11.918 1.00 0.00 H new ATOM 0 HE2 HIS A 55 7.579 10.511 10.862 1.00 0.00 H new ATOM 220 N ILE A 56 2.698 9.466 6.143 1.00 0.00 N ATOM 221 CA ILE A 56 1.368 9.223 5.506 1.00 0.00 C ATOM 222 C ILE A 56 1.114 9.709 4.071 1.00 0.00 C ATOM 223 O ILE A 56 0.417 9.037 3.315 1.00 0.00 O ATOM 224 CB ILE A 56 0.184 9.682 6.406 1.00 0.00 C ATOM 225 CG1 ILE A 56 0.244 11.162 6.809 1.00 0.00 C ATOM 226 CG2 ILE A 56 -0.047 8.787 7.614 1.00 0.00 C ATOM 227 CD1 ILE A 56 -0.614 12.050 5.909 1.00 0.00 C ATOM 0 H ILE A 56 2.602 9.793 7.104 1.00 0.00 H new ATOM 0 HA ILE A 56 1.419 8.139 5.407 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.688 9.573 5.762 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.089 11.268 7.842 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.278 11.504 6.771 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.887 9.169 8.194 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.268 7.774 7.279 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.848 8.777 8.236 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.535 13.086 6.238 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.266 11.969 4.879 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.654 11.729 5.966 1.00 0.00 H new ATOM 228 N GLN A 57 1.728 10.830 3.711 1.00 0.00 N ATOM 229 CA GLN A 57 1.441 11.547 2.441 1.00 0.00 C ATOM 230 C GLN A 57 2.151 10.920 1.230 1.00 0.00 C ATOM 231 O GLN A 57 3.291 11.228 0.891 1.00 0.00 O ATOM 232 CB GLN A 57 1.723 13.040 2.617 1.00 0.00 C ATOM 233 CG GLN A 57 3.134 13.305 3.148 1.00 0.00 C ATOM 234 CD GLN A 57 3.328 14.735 3.630 1.00 0.00 C ATOM 235 OE1 GLN A 57 2.770 15.190 4.620 1.00 0.00 O ATOM 236 NE2 GLN A 57 4.245 15.419 2.992 1.00 0.00 N ATOM 0 H GLN A 57 2.443 11.281 4.282 1.00 0.00 H new ATOM 0 HA GLN A 57 0.381 11.439 2.211 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.596 13.547 1.660 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.992 13.467 3.304 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.342 12.619 3.969 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.858 13.091 2.362 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.698 15.021 2.169 1.00 0.00 H new ATOM 0 HE22 GLN A 57 4.506 16.349 3.318 1.00 0.00 H new ATOM 237 N LEU A 58 1.506 9.866 0.747 1.00 0.00 N ATOM 238 CA LEU A 58 1.992 9.105 -0.405 1.00 0.00 C ATOM 239 C LEU A 58 1.862 9.859 -1.735 1.00 0.00 C ATOM 240 O LEU A 58 1.037 10.758 -1.915 1.00 0.00 O ATOM 241 CB LEU A 58 1.280 7.748 -0.482 1.00 0.00 C ATOM 242 CG LEU A 58 -0.198 7.901 -0.849 1.00 0.00 C ATOM 243 CD1 LEU A 58 -0.445 7.192 -2.187 1.00 0.00 C ATOM 244 CD2 LEU A 58 -1.129 7.470 0.277 1.00 0.00 C ATOM 0 H LEU A 58 0.633 9.512 1.139 1.00 0.00 H new ATOM 0 HA LEU A 58 3.060 8.951 -0.248 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.775 7.119 -1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.365 7.238 0.478 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.439 8.956 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.495 7.292 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.178 7.644 -2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.194 6.136 -2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.165 7.600 -0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.951 6.421 0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.939 8.080 1.160 1.00 0.00 H new ATOM 245 N GLN A 59 2.825 9.545 -2.582 1.00 0.00 N ATOM 246 CA GLN A 59 2.882 9.964 -3.980 1.00 0.00 C ATOM 247 C GLN A 59 3.262 8.814 -4.906 1.00 0.00 C ATOM 248 O GLN A 59 4.287 8.149 -4.729 1.00 0.00 O ATOM 249 CB GLN A 59 3.968 11.023 -4.088 1.00 0.00 C ATOM 250 CG GLN A 59 3.636 12.203 -5.015 1.00 0.00 C ATOM 251 CD GLN A 59 3.130 11.807 -6.416 1.00 0.00 C ATOM 252 OE1 GLN A 59 1.944 11.814 -6.709 1.00 0.00 O ATOM 253 NE2 GLN A 59 4.010 11.363 -7.291 1.00 0.00 N ATOM 0 H GLN A 59 3.622 8.969 -2.310 1.00 0.00 H new ATOM 0 HA GLN A 59 1.899 10.331 -4.276 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.176 11.411 -3.091 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.883 10.548 -4.443 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.879 12.822 -4.533 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.528 12.819 -5.128 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.003 11.353 -7.056 1.00 0.00 H new ATOM 0 HE22 GLN A 59 3.699 11.029 -8.203 1.00 0.00 H new ATOM 254 N LEU A 60 2.499 8.736 -5.969 1.00 0.00 N ATOM 255 CA LEU A 60 2.643 7.579 -6.857 1.00 0.00 C ATOM 256 C LEU A 60 3.024 7.891 -8.324 1.00 0.00 C ATOM 257 O LEU A 60 2.377 8.649 -9.032 1.00 0.00 O ATOM 258 CB LEU A 60 1.444 6.655 -6.686 1.00 0.00 C ATOM 259 CG LEU A 60 0.092 7.241 -7.075 1.00 0.00 C ATOM 260 CD1 LEU A 60 -0.724 5.996 -7.306 1.00 0.00 C ATOM 261 CD2 LEU A 60 -0.550 8.137 -6.004 1.00 0.00 C ATOM 0 H LEU A 60 1.796 9.422 -6.244 1.00 0.00 H new ATOM 0 HA LEU A 60 3.536 7.042 -6.536 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.614 5.757 -7.280 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.396 6.342 -5.643 1.00 0.00 H new ATOM 0 HG LEU A 60 0.169 7.913 -7.930 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.737 6.274 -7.597 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.268 5.404 -8.099 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.758 5.408 -6.389 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.508 8.509 -6.367 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.707 7.560 -5.093 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.109 8.979 -5.791 1.00 0.00 H new ATOM 262 N SER A 61 4.085 7.204 -8.734 1.00 0.00 N ATOM 263 CA SER A 61 4.729 7.387 -10.054 1.00 0.00 C ATOM 264 C SER A 61 4.853 6.088 -10.847 1.00 0.00 C ATOM 265 O SER A 61 5.540 5.139 -10.480 1.00 0.00 O ATOM 266 CB SER A 61 6.105 8.041 -9.918 1.00 0.00 C ATOM 267 OG SER A 61 6.730 8.168 -11.197 1.00 0.00 O ATOM 0 H SER A 61 4.537 6.492 -8.160 1.00 0.00 H new ATOM 0 HA SER A 61 4.068 8.049 -10.613 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.003 9.024 -9.458 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.734 7.444 -9.258 1.00 0.00 H new ATOM 0 HG SER A 61 7.608 8.590 -11.091 1.00 0.00 H new ATOM 268 N ALA A 62 4.066 6.069 -11.915 1.00 0.00 N ATOM 269 CA ALA A 62 3.986 4.912 -12.822 1.00 0.00 C ATOM 270 C ALA A 62 5.126 4.738 -13.835 1.00 0.00 C ATOM 271 O ALA A 62 5.226 5.413 -14.855 1.00 0.00 O ATOM 272 CB ALA A 62 2.611 4.875 -13.497 1.00 0.00 C ATOM 0 H ALA A 62 3.464 6.848 -12.183 1.00 0.00 H new ATOM 0 HA ALA A 62 4.120 4.045 -12.174 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.558 4.017 -14.167 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.835 4.791 -12.737 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.461 5.791 -14.068 1.00 0.00 H new ATOM 273 N GLU A 63 5.738 3.567 -13.667 1.00 0.00 N ATOM 274 CA GLU A 63 6.837 3.059 -14.499 1.00 0.00 C ATOM 275 C GLU A 63 6.177 2.056 -15.463 1.00 0.00 C ATOM 276 O GLU A 63 6.168 0.838 -15.275 1.00 0.00 O ATOM 277 CB GLU A 63 7.893 2.420 -13.594 1.00 0.00 C ATOM 278 CG GLU A 63 9.077 1.844 -14.383 1.00 0.00 C ATOM 279 CD GLU A 63 10.098 1.236 -13.430 1.00 0.00 C ATOM 280 OE1 GLU A 63 9.958 0.033 -13.105 1.00 0.00 O ATOM 281 OE2 GLU A 63 11.008 1.993 -13.016 1.00 0.00 O ATOM 0 H GLU A 63 5.476 2.920 -12.923 1.00 0.00 H new ATOM 0 HA GLU A 63 7.357 3.831 -15.067 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.260 3.165 -12.888 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.431 1.626 -13.008 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.724 1.085 -15.081 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.545 2.630 -14.976 1.00 0.00 H new ATOM 282 N SER A 64 5.418 2.693 -16.344 1.00 0.00 N ATOM 283 CA SER A 64 4.593 2.103 -17.424 1.00 0.00 C ATOM 284 C SER A 64 3.304 1.430 -16.901 1.00 0.00 C ATOM 285 O SER A 64 2.775 1.813 -15.857 1.00 0.00 O ATOM 286 CB SER A 64 5.498 1.245 -18.304 1.00 0.00 C ATOM 287 OG SER A 64 4.797 0.692 -19.436 1.00 0.00 O ATOM 0 H SER A 64 5.348 3.711 -16.334 1.00 0.00 H new ATOM 0 HA SER A 64 4.182 2.884 -18.064 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.335 1.848 -18.657 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.918 0.434 -17.708 1.00 0.00 H new ATOM 0 HG SER A 64 4.905 -0.282 -19.444 1.00 0.00 H new ATOM 288 N VAL A 65 2.793 0.448 -17.648 1.00 0.00 N ATOM 289 CA VAL A 65 1.463 -0.197 -17.595 1.00 0.00 C ATOM 290 C VAL A 65 0.893 -0.555 -16.204 1.00 0.00 C ATOM 291 O VAL A 65 1.027 -1.666 -15.688 1.00 0.00 O ATOM 292 CB VAL A 65 1.464 -1.347 -18.616 1.00 0.00 C ATOM 293 CG1 VAL A 65 2.358 -2.532 -18.216 1.00 0.00 C ATOM 294 CG2 VAL A 65 0.038 -1.807 -18.941 1.00 0.00 C ATOM 0 H VAL A 65 3.358 0.034 -18.389 1.00 0.00 H new ATOM 0 HA VAL A 65 0.726 0.557 -17.873 1.00 0.00 H new ATOM 0 HB VAL A 65 1.908 -0.936 -19.522 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.306 -3.303 -18.985 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.388 -2.192 -18.112 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.014 -2.943 -17.267 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.074 -2.621 -19.665 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.449 -2.154 -18.030 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.527 -0.974 -19.359 1.00 0.00 H new ATOM 295 N GLY A 66 0.262 0.458 -15.627 1.00 0.00 N ATOM 296 CA GLY A 66 -0.334 0.425 -14.275 1.00 0.00 C ATOM 297 C GLY A 66 0.690 0.365 -13.134 1.00 0.00 C ATOM 298 O GLY A 66 0.413 0.772 -12.010 1.00 0.00 O ATOM 0 H GLY A 66 0.141 1.358 -16.091 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.956 1.311 -14.143 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.993 -0.440 -14.202 1.00 0.00 H new ATOM 299 N GLU A 67 1.913 0.012 -13.496 1.00 0.00 N ATOM 300 CA GLU A 67 3.020 -0.286 -12.585 1.00 0.00 C ATOM 301 C GLU A 67 3.501 0.950 -11.840 1.00 0.00 C ATOM 302 O GLU A 67 4.307 1.738 -12.334 1.00 0.00 O ATOM 303 CB GLU A 67 4.185 -0.825 -13.399 1.00 0.00 C ATOM 304 CG GLU A 67 3.882 -2.029 -14.276 1.00 0.00 C ATOM 305 CD GLU A 67 4.935 -2.232 -15.371 1.00 0.00 C ATOM 306 OE1 GLU A 67 4.860 -1.517 -16.394 1.00 0.00 O ATOM 307 OE2 GLU A 67 5.789 -3.124 -15.211 1.00 0.00 O ATOM 0 H GLU A 67 2.179 -0.080 -14.476 1.00 0.00 H new ATOM 0 HA GLU A 67 2.662 -1.010 -11.853 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.561 -0.023 -14.034 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.989 -1.092 -12.713 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.830 -2.924 -13.655 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.902 -1.903 -14.736 1.00 0.00 H new ATOM 308 N VAL A 68 3.113 1.019 -10.576 1.00 0.00 N ATOM 309 CA VAL A 68 3.324 2.255 -9.823 1.00 0.00 C ATOM 310 C VAL A 68 4.111 2.190 -8.522 1.00 0.00 C ATOM 311 O VAL A 68 3.883 1.411 -7.596 1.00 0.00 O ATOM 312 CB VAL A 68 2.026 3.010 -9.727 1.00 0.00 C ATOM 313 CG1 VAL A 68 0.957 2.341 -8.842 1.00 0.00 C ATOM 314 CG2 VAL A 68 2.130 4.441 -9.287 1.00 0.00 C ATOM 0 H VAL A 68 2.664 0.263 -10.059 1.00 0.00 H new ATOM 0 HA VAL A 68 4.043 2.821 -10.415 1.00 0.00 H new ATOM 0 HB VAL A 68 1.717 2.987 -10.772 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.057 2.955 -8.832 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.719 1.355 -9.241 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.338 2.239 -7.826 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.135 4.885 -9.254 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.580 4.485 -8.295 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.751 4.994 -9.992 1.00 0.00 H new ATOM 315 N TYR A 69 5.005 3.155 -8.542 1.00 0.00 N ATOM 316 CA TYR A 69 5.939 3.460 -7.462 1.00 0.00 C ATOM 317 C TYR A 69 5.351 4.430 -6.423 1.00 0.00 C ATOM 318 O TYR A 69 5.171 5.615 -6.704 1.00 0.00 O ATOM 319 CB TYR A 69 7.193 4.114 -8.042 1.00 0.00 C ATOM 320 CG TYR A 69 8.305 3.114 -8.396 1.00 0.00 C ATOM 321 CD1 TYR A 69 8.533 1.991 -7.569 1.00 0.00 C ATOM 322 CD2 TYR A 69 8.998 3.300 -9.613 1.00 0.00 C ATOM 323 CE1 TYR A 69 9.454 1.014 -7.995 1.00 0.00 C ATOM 324 CE2 TYR A 69 9.935 2.330 -10.015 1.00 0.00 C ATOM 325 CZ TYR A 69 10.139 1.203 -9.208 1.00 0.00 C ATOM 326 OH TYR A 69 11.103 0.295 -9.560 1.00 0.00 O ATOM 0 H TYR A 69 5.111 3.779 -9.342 1.00 0.00 H new ATOM 0 HA TYR A 69 6.163 2.515 -6.968 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.920 4.672 -8.938 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.581 4.836 -7.323 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.012 1.884 -6.629 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.812 4.171 -10.224 1.00 0.00 H new ATOM 0 HE1 TYR A 69 9.631 0.132 -7.398 1.00 0.00 H new ATOM 0 HE2 TYR A 69 10.490 2.453 -10.934 1.00 0.00 H new ATOM 0 HH TYR A 69 11.493 0.550 -10.422 1.00 0.00 H new ATOM 327 N ILE A 70 5.082 3.886 -5.255 1.00 0.00 N ATOM 328 CA ILE A 70 4.403 4.660 -4.196 1.00 0.00 C ATOM 329 C ILE A 70 5.409 5.119 -3.137 1.00 0.00 C ATOM 330 O ILE A 70 5.743 4.430 -2.172 1.00 0.00 O ATOM 331 CB ILE A 70 3.193 3.918 -3.614 1.00 0.00 C ATOM 332 CG1 ILE A 70 2.267 3.521 -4.766 1.00 0.00 C ATOM 333 CG2 ILE A 70 2.427 4.806 -2.622 1.00 0.00 C ATOM 334 CD1 ILE A 70 1.367 2.328 -4.439 1.00 0.00 C ATOM 0 H ILE A 70 5.313 2.925 -5.001 1.00 0.00 H new ATOM 0 HA ILE A 70 3.986 5.561 -4.646 1.00 0.00 H new ATOM 0 HB ILE A 70 3.540 3.034 -3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.644 4.375 -5.032 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.871 3.282 -5.642 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.574 4.256 -2.224 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.088 5.091 -1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.074 5.702 -3.133 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.737 2.101 -5.299 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.984 1.461 -4.202 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.738 2.571 -3.583 1.00 0.00 H new ATOM 335 N LYS A 71 5.795 6.358 -3.357 1.00 0.00 N ATOM 336 CA LYS A 71 6.777 7.117 -2.562 1.00 0.00 C ATOM 337 C LYS A 71 6.116 7.909 -1.457 1.00 0.00 C ATOM 338 O LYS A 71 5.089 8.565 -1.630 1.00 0.00 O ATOM 339 CB LYS A 71 7.491 8.010 -3.579 1.00 0.00 C ATOM 340 CG LYS A 71 8.575 8.866 -2.939 1.00 0.00 C ATOM 341 CD LYS A 71 8.807 10.114 -3.773 1.00 0.00 C ATOM 342 CE LYS A 71 9.655 11.130 -3.002 1.00 0.00 C ATOM 343 NZ LYS A 71 10.988 10.572 -2.756 1.00 0.00 N ATOM 0 H LYS A 71 5.421 6.905 -4.133 1.00 0.00 H new ATOM 0 HA LYS A 71 7.478 6.465 -2.041 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.935 7.388 -4.356 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.761 8.657 -4.066 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.281 9.144 -1.927 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.500 8.296 -2.857 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.307 9.847 -4.704 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.850 10.561 -4.042 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.737 12.056 -3.570 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.173 11.378 -2.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.594 11.298 -2.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.910 9.758 -2.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.407 10.263 -3.657 1.00 0.00 H new ATOM 344 N SER A 72 6.809 7.906 -0.338 1.00 0.00 N ATOM 345 CA SER A 72 6.422 8.677 0.836 1.00 0.00 C ATOM 346 C SER A 72 7.040 10.081 0.748 1.00 0.00 C ATOM 347 O SER A 72 8.257 10.237 0.898 1.00 0.00 O ATOM 348 CB SER A 72 6.887 7.898 2.064 1.00 0.00 C ATOM 349 OG SER A 72 8.244 7.466 1.963 1.00 0.00 O ATOM 0 H SER A 72 7.665 7.366 -0.211 1.00 0.00 H new ATOM 0 HA SER A 72 5.343 8.816 0.901 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.774 8.523 2.950 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.243 7.029 2.203 1.00 0.00 H new ATOM 0 HG SER A 72 8.270 6.493 1.849 1.00 0.00 H new ATOM 350 N THR A 73 6.262 11.086 0.335 1.00 0.00 N ATOM 351 CA THR A 73 6.755 12.482 0.217 1.00 0.00 C ATOM 352 C THR A 73 6.962 13.195 1.566 1.00 0.00 C ATOM 353 O THR A 73 6.588 14.347 1.769 1.00 0.00 O ATOM 354 CB THR A 73 5.919 13.340 -0.760 1.00 0.00 C ATOM 355 OG1 THR A 73 4.583 12.865 -0.856 1.00 0.00 O ATOM 356 CG2 THR A 73 6.577 13.379 -2.140 1.00 0.00 C ATOM 0 H THR A 73 5.283 10.969 0.073 1.00 0.00 H new ATOM 0 HA THR A 73 7.749 12.377 -0.218 1.00 0.00 H new ATOM 0 HB THR A 73 5.883 14.355 -0.363 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.331 12.426 -0.017 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.974 13.988 -2.814 1.00 0.00 H new ATOM 0 HG22 THR A 73 7.574 13.811 -2.056 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.653 12.366 -2.536 1.00 0.00 H new ATOM 357 N GLU A 74 7.753 12.509 2.381 1.00 0.00 N ATOM 358 CA GLU A 74 8.208 12.865 3.740 1.00 0.00 C ATOM 359 C GLU A 74 9.405 12.004 4.166 1.00 0.00 C ATOM 360 O GLU A 74 10.458 12.539 4.490 1.00 0.00 O ATOM 361 CB GLU A 74 7.063 12.800 4.771 1.00 0.00 C ATOM 362 CG GLU A 74 6.541 14.195 5.085 1.00 0.00 C ATOM 363 CD GLU A 74 7.589 15.204 5.577 1.00 0.00 C ATOM 364 OE1 GLU A 74 8.225 14.942 6.620 1.00 0.00 O ATOM 365 OE2 GLU A 74 7.707 16.264 4.909 1.00 0.00 O ATOM 0 H GLU A 74 8.132 11.607 2.092 1.00 0.00 H new ATOM 0 HA GLU A 74 8.541 13.903 3.708 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.253 12.182 4.384 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.417 12.325 5.686 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.070 14.597 4.188 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.762 14.109 5.843 1.00 0.00 H new ATOM 366 N THR A 75 9.219 10.680 4.132 1.00 0.00 N ATOM 367 CA THR A 75 10.279 9.694 4.439 1.00 0.00 C ATOM 368 C THR A 75 11.102 9.163 3.249 1.00 0.00 C ATOM 369 O THR A 75 12.157 8.568 3.447 1.00 0.00 O ATOM 370 CB THR A 75 9.658 8.528 5.232 1.00 0.00 C ATOM 371 OG1 THR A 75 8.248 8.425 4.977 1.00 0.00 O ATOM 372 CG2 THR A 75 9.945 8.715 6.724 1.00 0.00 C ATOM 0 H THR A 75 8.325 10.252 3.890 1.00 0.00 H new ATOM 0 HA THR A 75 11.017 10.242 5.025 1.00 0.00 H new ATOM 0 HB THR A 75 10.111 7.592 4.905 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.943 7.517 5.185 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.506 7.890 7.285 1.00 0.00 H new ATOM 0 HG22 THR A 75 11.022 8.732 6.888 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.511 9.656 7.063 1.00 0.00 H new ATOM 373 N GLY A 76 10.507 9.191 2.061 1.00 0.00 N ATOM 374 CA GLY A 76 11.159 8.810 0.795 1.00 0.00 C ATOM 375 C GLY A 76 10.806 7.374 0.388 1.00 0.00 C ATOM 376 O GLY A 76 10.210 7.127 -0.663 1.00 0.00 O ATOM 0 H GLY A 76 9.538 9.484 1.940 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.854 9.498 0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.240 8.904 0.899 1.00 0.00 H new ATOM 377 N GLN A 77 11.145 6.466 1.297 1.00 0.00 N ATOM 378 CA GLN A 77 10.878 5.020 1.182 1.00 0.00 C ATOM 379 C GLN A 77 9.549 4.620 0.547 1.00 0.00 C ATOM 380 O GLN A 77 8.467 5.130 0.856 1.00 0.00 O ATOM 381 CB GLN A 77 11.062 4.301 2.516 1.00 0.00 C ATOM 382 CG GLN A 77 10.301 4.902 3.694 1.00 0.00 C ATOM 383 CD GLN A 77 10.709 4.199 4.983 1.00 0.00 C ATOM 384 OE1 GLN A 77 10.012 3.347 5.514 1.00 0.00 O ATOM 385 NE2 GLN A 77 11.917 4.497 5.433 1.00 0.00 N ATOM 0 H GLN A 77 11.627 6.713 2.161 1.00 0.00 H new ATOM 0 HA GLN A 77 11.635 4.691 0.470 1.00 0.00 H new ATOM 0 HB2 GLN A 77 10.751 3.263 2.396 1.00 0.00 H new ATOM 0 HB3 GLN A 77 12.124 4.289 2.760 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.511 5.969 3.768 1.00 0.00 H new ATOM 0 HG3 GLN A 77 9.227 4.799 3.536 1.00 0.00 H new ATOM 0 HE21 GLN A 77 12.473 5.214 4.966 1.00 0.00 H new ATOM 0 HE22 GLN A 77 12.293 4.010 6.247 1.00 0.00 H new ATOM 386 N TYR A 78 9.707 3.683 -0.371 1.00 0.00 N ATOM 387 CA TYR A 78 8.637 3.140 -1.206 1.00 0.00 C ATOM 388 C TYR A 78 7.798 2.102 -0.466 1.00 0.00 C ATOM 389 O TYR A 78 8.274 1.388 0.419 1.00 0.00 O ATOM 390 CB TYR A 78 9.279 2.495 -2.442 1.00 0.00 C ATOM 391 CG TYR A 78 10.037 3.515 -3.285 1.00 0.00 C ATOM 392 CD1 TYR A 78 9.324 4.421 -4.097 1.00 0.00 C ATOM 393 CD2 TYR A 78 11.415 3.682 -3.032 1.00 0.00 C ATOM 394 CE1 TYR A 78 9.987 5.549 -4.611 1.00 0.00 C ATOM 395 CE2 TYR A 78 12.075 4.816 -3.533 1.00 0.00 C ATOM 396 CZ TYR A 78 11.349 5.748 -4.297 1.00 0.00 C ATOM 397 OH TYR A 78 11.978 6.900 -4.652 1.00 0.00 O ATOM 0 H TYR A 78 10.615 3.261 -0.567 1.00 0.00 H new ATOM 0 HA TYR A 78 7.967 3.953 -1.486 1.00 0.00 H new ATOM 0 HB2 TYR A 78 9.961 1.705 -2.127 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.506 2.025 -3.049 1.00 0.00 H new ATOM 0 HD1 TYR A 78 8.281 4.250 -4.321 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.957 2.945 -2.458 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.461 6.254 -5.238 1.00 0.00 H new ATOM 0 HE2 TYR A 78 13.125 4.970 -3.335 1.00 0.00 H new ATOM 0 HH TYR A 78 12.912 6.868 -4.356 1.00 0.00 H new ATOM 398 N LEU A 79 6.511 2.130 -0.814 1.00 0.00 N ATOM 399 CA LEU A 79 5.568 1.050 -0.459 1.00 0.00 C ATOM 400 C LEU A 79 6.061 -0.215 -1.162 1.00 0.00 C ATOM 401 O LEU A 79 6.095 -0.286 -2.390 1.00 0.00 O ATOM 402 CB LEU A 79 4.157 1.369 -0.970 1.00 0.00 C ATOM 403 CG LEU A 79 3.113 0.449 -0.324 1.00 0.00 C ATOM 404 CD1 LEU A 79 2.864 0.936 1.086 1.00 0.00 C ATOM 405 CD2 LEU A 79 1.802 0.609 -1.077 1.00 0.00 C ATOM 0 H LEU A 79 6.088 2.891 -1.345 1.00 0.00 H new ATOM 0 HA LEU A 79 5.525 0.933 0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.914 2.409 -0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.125 1.255 -2.054 1.00 0.00 H new ATOM 0 HG LEU A 79 3.461 -0.584 -0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.124 0.296 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.795 0.902 1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.494 1.961 1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.046 -0.038 -0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.473 1.646 -1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.946 0.333 -2.122 1.00 0.00 H new ATOM 406 N ALA A 80 6.719 -1.022 -0.360 1.00 0.00 N ATOM 407 CA ALA A 80 7.297 -2.281 -0.837 1.00 0.00 C ATOM 408 C ALA A 80 6.668 -3.492 -0.171 1.00 0.00 C ATOM 409 O ALA A 80 6.100 -3.396 0.915 1.00 0.00 O ATOM 410 CB ALA A 80 8.800 -2.249 -0.569 1.00 0.00 C ATOM 0 H ALA A 80 6.873 -0.837 0.631 1.00 0.00 H new ATOM 0 HA ALA A 80 7.098 -2.375 -1.904 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.251 -3.178 -0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.246 -1.408 -1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.977 -2.138 0.501 1.00 0.00 H new ATOM 411 N MET A 81 6.805 -4.626 -0.843 1.00 0.00 N ATOM 412 CA MET A 81 6.294 -5.915 -0.359 1.00 0.00 C ATOM 413 C MET A 81 7.294 -7.055 -0.538 1.00 0.00 C ATOM 414 O MET A 81 8.148 -7.046 -1.421 1.00 0.00 O ATOM 415 CB MET A 81 4.982 -6.182 -1.084 1.00 0.00 C ATOM 416 CG MET A 81 4.243 -7.378 -0.489 1.00 0.00 C ATOM 417 SD MET A 81 2.448 -7.135 -0.678 1.00 0.00 S ATOM 418 CE MET A 81 1.848 -8.477 0.328 1.00 0.00 C ATOM 0 H MET A 81 7.276 -4.685 -1.746 1.00 0.00 H new ATOM 0 HA MET A 81 6.129 -5.863 0.717 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.348 -5.297 -1.027 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.180 -6.365 -2.140 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.552 -8.296 -0.989 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.497 -7.489 0.565 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.445 -9.261 -0.314 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.667 -8.880 0.923 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.063 -8.112 0.991 1.00 0.00 H new ATOM 419 N ASP A 82 7.273 -7.928 0.461 1.00 0.00 N ATOM 420 CA ASP A 82 8.090 -9.157 0.460 1.00 0.00 C ATOM 421 C ASP A 82 7.260 -10.446 0.470 1.00 0.00 C ATOM 422 O ASP A 82 6.173 -10.488 1.044 1.00 0.00 O ATOM 423 CB ASP A 82 9.076 -9.141 1.624 1.00 0.00 C ATOM 424 CG ASP A 82 8.463 -8.866 2.998 1.00 0.00 C ATOM 425 OD1 ASP A 82 7.763 -9.776 3.477 1.00 0.00 O ATOM 426 OD2 ASP A 82 8.663 -7.734 3.499 1.00 0.00 O ATOM 0 H ASP A 82 6.696 -7.815 1.295 1.00 0.00 H new ATOM 0 HA ASP A 82 8.639 -9.160 -0.482 1.00 0.00 H new ATOM 0 HB2 ASP A 82 9.587 -10.103 1.659 1.00 0.00 H new ATOM 0 HB3 ASP A 82 9.835 -8.384 1.425 1.00 0.00 H new ATOM 427 N THR A 83 7.993 -11.514 0.190 1.00 0.00 N ATOM 428 CA THR A 83 7.497 -12.900 0.013 1.00 0.00 C ATOM 429 C THR A 83 6.802 -13.536 1.230 1.00 0.00 C ATOM 430 O THR A 83 6.165 -14.573 1.102 1.00 0.00 O ATOM 431 CB THR A 83 8.650 -13.825 -0.402 1.00 0.00 C ATOM 432 OG1 THR A 83 9.762 -13.601 0.473 1.00 0.00 O ATOM 433 CG2 THR A 83 9.043 -13.627 -1.864 1.00 0.00 C ATOM 0 H THR A 83 9.004 -11.450 0.071 1.00 0.00 H new ATOM 0 HA THR A 83 6.733 -12.802 -0.758 1.00 0.00 H new ATOM 0 HB THR A 83 8.321 -14.860 -0.313 1.00 0.00 H new ATOM 0 HG1 THR A 83 10.503 -14.189 0.217 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.862 -14.301 -2.115 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.187 -13.842 -2.503 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.361 -12.596 -2.019 1.00 0.00 H new ATOM 434 N ASP A 84 7.037 -12.954 2.409 1.00 0.00 N ATOM 435 CA ASP A 84 6.338 -13.323 3.664 1.00 0.00 C ATOM 436 C ASP A 84 4.865 -12.901 3.707 1.00 0.00 C ATOM 437 O ASP A 84 4.114 -13.365 4.562 1.00 0.00 O ATOM 438 CB ASP A 84 7.108 -12.688 4.837 1.00 0.00 C ATOM 439 CG ASP A 84 8.536 -13.192 4.982 1.00 0.00 C ATOM 440 OD1 ASP A 84 9.406 -12.580 4.311 1.00 0.00 O ATOM 441 OD2 ASP A 84 8.745 -14.160 5.747 1.00 0.00 O ATOM 0 H ASP A 84 7.721 -12.207 2.531 1.00 0.00 H new ATOM 0 HA ASP A 84 6.326 -14.411 3.730 1.00 0.00 H new ATOM 0 HB2 ASP A 84 7.127 -11.606 4.703 1.00 0.00 H new ATOM 0 HB3 ASP A 84 6.568 -12.885 5.763 1.00 0.00 H new ATOM 442 N GLY A 85 4.517 -11.989 2.802 1.00 0.00 N ATOM 443 CA GLY A 85 3.189 -11.339 2.731 1.00 0.00 C ATOM 444 C GLY A 85 3.197 -9.967 3.407 1.00 0.00 C ATOM 445 O GLY A 85 2.178 -9.280 3.499 1.00 0.00 O ATOM 0 H GLY A 85 5.157 -11.667 2.076 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.892 -11.230 1.688 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.445 -11.976 3.209 1.00 0.00 H new ATOM 446 N LEU A 86 4.388 -9.436 3.672 1.00 0.00 N ATOM 447 CA LEU A 86 4.503 -8.230 4.505 1.00 0.00 C ATOM 448 C LEU A 86 5.021 -7.052 3.687 1.00 0.00 C ATOM 449 O LEU A 86 5.816 -7.207 2.760 1.00 0.00 O ATOM 450 CB LEU A 86 5.410 -8.458 5.711 1.00 0.00 C ATOM 451 CG LEU A 86 5.241 -9.779 6.470 1.00 0.00 C ATOM 452 CD1 LEU A 86 5.626 -9.426 7.909 1.00 0.00 C ATOM 453 CD2 LEU A 86 3.853 -10.427 6.583 1.00 0.00 C ATOM 0 H LEU A 86 5.275 -9.809 3.332 1.00 0.00 H new ATOM 0 HA LEU A 86 3.502 -8.000 4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.444 -8.391 5.374 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.250 -7.641 6.414 1.00 0.00 H new ATOM 0 HG LEU A 86 5.828 -10.505 5.908 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.537 -10.312 8.537 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.655 -9.066 7.933 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.961 -8.648 8.283 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.929 -11.353 7.153 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.172 -9.743 7.090 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.471 -10.646 5.586 1.00 0.00 H new ATOM 454 N LEU A 87 4.531 -5.892 4.117 1.00 0.00 N ATOM 455 CA LEU A 87 4.865 -4.606 3.488 1.00 0.00 C ATOM 456 C LEU A 87 5.941 -3.879 4.309 1.00 0.00 C ATOM 457 O LEU A 87 5.790 -3.637 5.506 1.00 0.00 O ATOM 458 CB LEU A 87 3.650 -3.687 3.371 1.00 0.00 C ATOM 459 CG LEU A 87 2.464 -4.232 2.572 1.00 0.00 C ATOM 460 CD1 LEU A 87 1.189 -3.556 3.069 1.00 0.00 C ATOM 461 CD2 LEU A 87 2.597 -4.107 1.062 1.00 0.00 C ATOM 0 H LEU A 87 3.893 -5.811 4.908 1.00 0.00 H new ATOM 0 HA LEU A 87 5.229 -4.832 2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.304 -3.447 4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.971 -2.752 2.912 1.00 0.00 H new ATOM 0 HG LEU A 87 2.431 -5.307 2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.334 -3.935 2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.052 -3.772 4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.269 -2.478 2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.709 -4.520 0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.700 -3.056 0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.478 -4.655 0.728 1.00 0.00 H new ATOM 462 N TYR A 88 6.944 -3.406 3.576 1.00 0.00 N ATOM 463 CA TYR A 88 8.103 -2.713 4.149 1.00 0.00 C ATOM 464 C TYR A 88 8.441 -1.394 3.446 1.00 0.00 C ATOM 465 O TYR A 88 8.107 -1.181 2.280 1.00 0.00 O ATOM 466 CB TYR A 88 9.347 -3.609 4.254 1.00 0.00 C ATOM 467 CG TYR A 88 9.959 -4.247 2.996 1.00 0.00 C ATOM 468 CD1 TYR A 88 9.180 -4.617 1.878 1.00 0.00 C ATOM 469 CD2 TYR A 88 11.295 -4.655 3.131 1.00 0.00 C ATOM 470 CE1 TYR A 88 9.754 -5.443 0.900 1.00 0.00 C ATOM 471 CE2 TYR A 88 11.865 -5.498 2.161 1.00 0.00 C ATOM 472 CZ TYR A 88 11.078 -5.904 1.059 1.00 0.00 C ATOM 473 OH TYR A 88 11.543 -6.877 0.243 1.00 0.00 O ATOM 0 H TYR A 88 6.980 -3.491 2.560 1.00 0.00 H new ATOM 0 HA TYR A 88 7.792 -2.460 5.163 1.00 0.00 H new ATOM 0 HB2 TYR A 88 10.130 -3.017 4.728 1.00 0.00 H new ATOM 0 HB3 TYR A 88 9.102 -4.420 4.939 1.00 0.00 H new ATOM 0 HD1 TYR A 88 8.162 -4.271 1.778 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.882 -4.323 3.975 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.184 -5.725 0.027 1.00 0.00 H new ATOM 0 HE2 TYR A 88 12.888 -5.830 2.256 1.00 0.00 H new ATOM 0 HH TYR A 88 10.804 -7.239 -0.289 1.00 0.00 H new ATOM 474 N GLY A 89 9.150 -0.565 4.205 1.00 0.00 N ATOM 475 CA GLY A 89 9.583 0.765 3.743 1.00 0.00 C ATOM 476 C GLY A 89 10.948 0.691 3.059 1.00 0.00 C ATOM 477 O GLY A 89 11.961 1.146 3.580 1.00 0.00 O ATOM 0 H GLY A 89 9.444 -0.788 5.156 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.846 1.170 3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.634 1.449 4.590 1.00 0.00 H new ATOM 478 N SER A 90 10.936 0.076 1.875 1.00 0.00 N ATOM 479 CA SER A 90 12.172 -0.047 1.068 1.00 0.00 C ATOM 480 C SER A 90 12.530 1.258 0.344 1.00 0.00 C ATOM 481 O SER A 90 11.880 1.688 -0.610 1.00 0.00 O ATOM 482 CB SER A 90 12.133 -1.248 0.112 1.00 0.00 C ATOM 483 OG SER A 90 13.265 -1.227 -0.751 1.00 0.00 O ATOM 0 H SER A 90 10.107 -0.340 1.452 1.00 0.00 H new ATOM 0 HA SER A 90 12.978 -0.242 1.775 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.119 -2.176 0.683 1.00 0.00 H new ATOM 0 HB3 SER A 90 11.217 -1.223 -0.478 1.00 0.00 H new ATOM 0 HG SER A 90 13.014 -0.828 -1.610 1.00 0.00 H new ATOM 484 N GLN A 91 13.574 1.870 0.880 1.00 0.00 N ATOM 485 CA GLN A 91 14.222 3.093 0.370 1.00 0.00 C ATOM 486 C GLN A 91 14.591 3.027 -1.115 1.00 0.00 C ATOM 487 O GLN A 91 14.659 4.046 -1.800 1.00 0.00 O ATOM 488 CB GLN A 91 15.497 3.327 1.177 1.00 0.00 C ATOM 489 CG GLN A 91 15.261 3.853 2.603 1.00 0.00 C ATOM 490 CD GLN A 91 14.631 5.263 2.699 1.00 0.00 C ATOM 491 OE1 GLN A 91 13.814 5.540 3.564 1.00 0.00 O ATOM 492 NE2 GLN A 91 14.974 6.171 1.819 1.00 0.00 N ATOM 0 H GLN A 91 14.024 1.519 1.725 1.00 0.00 H new ATOM 0 HA GLN A 91 13.503 3.905 0.478 1.00 0.00 H new ATOM 0 HB2 GLN A 91 16.052 2.391 1.236 1.00 0.00 H new ATOM 0 HB3 GLN A 91 16.126 4.037 0.641 1.00 0.00 H new ATOM 0 HG2 GLN A 91 14.615 3.149 3.128 1.00 0.00 H new ATOM 0 HG3 GLN A 91 16.215 3.864 3.130 1.00 0.00 H new ATOM 0 HE21 GLN A 91 15.656 5.947 1.094 1.00 0.00 H new ATOM 0 HE22 GLN A 91 14.560 7.102 1.859 1.00 0.00 H new ATOM 493 N THR A 92 15.003 1.829 -1.522 1.00 0.00 N ATOM 494 CA THR A 92 15.338 1.518 -2.920 1.00 0.00 C ATOM 495 C THR A 92 14.112 0.939 -3.646 1.00 0.00 C ATOM 496 O THR A 92 13.325 0.201 -3.035 1.00 0.00 O ATOM 497 CB THR A 92 16.553 0.581 -2.991 1.00 0.00 C ATOM 498 OG1 THR A 92 17.005 0.526 -4.336 1.00 0.00 O ATOM 499 CG2 THR A 92 16.266 -0.850 -2.503 1.00 0.00 C ATOM 0 H THR A 92 15.117 1.036 -0.890 1.00 0.00 H new ATOM 0 HA THR A 92 15.616 2.439 -3.433 1.00 0.00 H new ATOM 0 HB THR A 92 17.309 0.992 -2.322 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.782 -0.068 -4.396 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.172 -1.451 -2.584 1.00 0.00 H new ATOM 0 HG22 THR A 92 15.941 -0.821 -1.463 1.00 0.00 H new ATOM 0 HG23 THR A 92 15.481 -1.293 -3.116 1.00 0.00 H new ATOM 500 N PRO A 93 13.898 1.289 -4.917 1.00 0.00 N ATOM 501 CA PRO A 93 12.863 0.677 -5.739 1.00 0.00 C ATOM 502 C PRO A 93 13.335 -0.653 -6.348 1.00 0.00 C ATOM 503 O PRO A 93 14.516 -0.883 -6.588 1.00 0.00 O ATOM 504 CB PRO A 93 12.541 1.694 -6.816 1.00 0.00 C ATOM 505 CG PRO A 93 13.881 2.388 -7.049 1.00 0.00 C ATOM 506 CD PRO A 93 14.590 2.325 -5.687 1.00 0.00 C ATOM 0 HA PRO A 93 11.982 0.430 -5.146 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.171 1.217 -7.723 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.774 2.397 -6.490 1.00 0.00 H new ATOM 0 HG2 PRO A 93 14.460 1.883 -7.822 1.00 0.00 H new ATOM 0 HG3 PRO A 93 13.743 3.418 -7.377 1.00 0.00 H new ATOM 0 HD2 PRO A 93 15.645 2.081 -5.808 1.00 0.00 H new ATOM 0 HD3 PRO A 93 14.541 3.287 -5.177 1.00 0.00 H new ATOM 507 N ASN A 94 12.435 -1.595 -6.185 1.00 0.00 N ATOM 508 CA ASN A 94 12.523 -2.902 -6.844 1.00 0.00 C ATOM 509 C ASN A 94 11.143 -3.240 -7.419 1.00 0.00 C ATOM 510 O ASN A 94 10.172 -2.535 -7.168 1.00 0.00 O ATOM 511 CB ASN A 94 12.995 -3.885 -5.761 1.00 0.00 C ATOM 512 CG ASN A 94 13.330 -5.289 -6.286 1.00 0.00 C ATOM 513 OD1 ASN A 94 12.487 -6.174 -6.311 1.00 0.00 O ATOM 514 ND2 ASN A 94 14.515 -5.458 -6.829 1.00 0.00 N ATOM 0 H ASN A 94 11.613 -1.488 -5.591 1.00 0.00 H new ATOM 0 HA ASN A 94 13.223 -2.935 -7.679 1.00 0.00 H new ATOM 0 HB2 ASN A 94 13.877 -3.472 -5.272 1.00 0.00 H new ATOM 0 HB3 ASN A 94 12.219 -3.970 -5.000 1.00 0.00 H new ATOM 0 HD21 ASN A 94 14.747 -6.341 -7.283 1.00 0.00 H new ATOM 0 HD22 ASN A 94 15.203 -4.706 -6.796 1.00 0.00 H new ATOM 515 N GLU A 95 11.037 -4.376 -8.098 1.00 0.00 N ATOM 516 CA GLU A 95 9.727 -4.937 -8.512 1.00 0.00 C ATOM 517 C GLU A 95 8.762 -4.990 -7.315 1.00 0.00 C ATOM 518 O GLU A 95 7.628 -4.535 -7.394 1.00 0.00 O ATOM 519 CB GLU A 95 9.916 -6.412 -8.899 1.00 0.00 C ATOM 520 CG GLU A 95 10.954 -6.678 -9.990 1.00 0.00 C ATOM 521 CD GLU A 95 11.054 -8.172 -10.292 1.00 0.00 C ATOM 522 OE1 GLU A 95 11.678 -8.885 -9.474 1.00 0.00 O ATOM 523 OE2 GLU A 95 10.497 -8.573 -11.341 1.00 0.00 O ATOM 0 H GLU A 95 11.838 -4.940 -8.382 1.00 0.00 H new ATOM 0 HA GLU A 95 9.346 -4.316 -9.323 1.00 0.00 H new ATOM 0 HB2 GLU A 95 10.201 -6.970 -8.007 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.956 -6.809 -9.230 1.00 0.00 H new ATOM 0 HG2 GLU A 95 10.682 -6.137 -10.896 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.926 -6.301 -9.673 1.00 0.00 H new ATOM 524 N GLU A 96 9.331 -5.339 -6.178 1.00 0.00 N ATOM 525 CA GLU A 96 8.679 -5.337 -4.852 1.00 0.00 C ATOM 526 C GLU A 96 8.022 -4.008 -4.458 1.00 0.00 C ATOM 527 O GLU A 96 6.996 -3.994 -3.781 1.00 0.00 O ATOM 528 CB GLU A 96 9.760 -5.663 -3.843 1.00 0.00 C ATOM 529 CG GLU A 96 10.075 -7.150 -3.975 1.00 0.00 C ATOM 530 CD GLU A 96 11.087 -7.652 -2.942 1.00 0.00 C ATOM 531 OE1 GLU A 96 12.215 -7.132 -2.976 1.00 0.00 O ATOM 532 OE2 GLU A 96 10.720 -8.550 -2.148 1.00 0.00 O ATOM 0 H GLU A 96 10.302 -5.648 -6.135 1.00 0.00 H new ATOM 0 HA GLU A 96 7.867 -6.063 -4.881 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.652 -5.064 -4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.424 -5.430 -2.832 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.151 -7.720 -3.874 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.462 -7.344 -4.975 1.00 0.00 H new ATOM 533 N CYS A 97 8.657 -2.916 -4.894 1.00 0.00 N ATOM 534 CA CYS A 97 8.246 -1.552 -4.517 1.00 0.00 C ATOM 535 C CYS A 97 7.338 -0.897 -5.579 1.00 0.00 C ATOM 536 O CYS A 97 6.938 0.257 -5.458 1.00 0.00 O ATOM 537 CB CYS A 97 9.503 -0.712 -4.331 1.00 0.00 C ATOM 538 SG CYS A 97 10.767 -1.356 -3.187 1.00 0.00 S ATOM 0 H CYS A 97 9.466 -2.947 -5.515 1.00 0.00 H new ATOM 0 HA CYS A 97 7.667 -1.608 -3.595 1.00 0.00 H new ATOM 0 HB2 CYS A 97 9.968 -0.577 -5.308 1.00 0.00 H new ATOM 0 HB3 CYS A 97 9.202 0.276 -3.982 1.00 0.00 H new ATOM 0 HG CYS A 97 11.840 -0.627 -3.271 1.00 0.00 H new ATOM 539 N LEU A 98 7.122 -1.650 -6.654 1.00 0.00 N ATOM 540 CA LEU A 98 6.286 -1.268 -7.807 1.00 0.00 C ATOM 541 C LEU A 98 4.979 -2.051 -7.774 1.00 0.00 C ATOM 542 O LEU A 98 4.932 -3.247 -7.508 1.00 0.00 O ATOM 543 CB LEU A 98 7.072 -1.605 -9.060 1.00 0.00 C ATOM 544 CG LEU A 98 6.470 -0.878 -10.274 1.00 0.00 C ATOM 545 CD1 LEU A 98 6.582 0.608 -10.148 1.00 0.00 C ATOM 546 CD2 LEU A 98 7.356 -1.236 -11.448 1.00 0.00 C ATOM 0 H LEU A 98 7.535 -2.577 -6.758 1.00 0.00 H new ATOM 0 HA LEU A 98 6.043 -0.206 -7.783 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.115 -1.315 -8.933 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.059 -2.682 -9.228 1.00 0.00 H new ATOM 0 HG LEU A 98 5.422 -1.161 -10.372 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.145 1.082 -11.027 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.051 0.939 -9.255 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.632 0.888 -10.070 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.981 -0.749 -12.348 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.374 -0.901 -11.251 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.351 -2.317 -11.591 1.00 0.00 H new ATOM 547 N PHE A 99 3.904 -1.309 -8.005 1.00 0.00 N ATOM 548 CA PHE A 99 2.561 -1.879 -7.872 1.00 0.00 C ATOM 549 C PHE A 99 1.565 -1.591 -8.993 1.00 0.00 C ATOM 550 O PHE A 99 1.273 -0.453 -9.287 1.00 0.00 O ATOM 551 CB PHE A 99 1.928 -1.370 -6.561 1.00 0.00 C ATOM 552 CG PHE A 99 2.444 -2.004 -5.263 1.00 0.00 C ATOM 553 CD1 PHE A 99 3.759 -1.740 -4.807 1.00 0.00 C ATOM 554 CD2 PHE A 99 1.538 -2.727 -4.461 1.00 0.00 C ATOM 555 CE1 PHE A 99 4.157 -2.203 -3.541 1.00 0.00 C ATOM 556 CE2 PHE A 99 1.936 -3.175 -3.187 1.00 0.00 C ATOM 557 CZ PHE A 99 3.244 -2.898 -2.731 1.00 0.00 C ATOM 0 H PHE A 99 3.928 -0.327 -8.281 1.00 0.00 H new ATOM 0 HA PHE A 99 2.734 -2.955 -7.902 1.00 0.00 H new ATOM 0 HB2 PHE A 99 2.085 -0.293 -6.501 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.852 -1.532 -6.616 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.450 -1.188 -5.427 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.542 -2.937 -4.822 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.163 -2.025 -3.192 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.247 -3.726 -2.564 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.546 -3.225 -1.747 1.00 0.00 H new ATOM 558 N LEU A 100 0.957 -2.628 -9.565 1.00 0.00 N ATOM 559 CA LEU A 100 -0.036 -2.401 -10.621 1.00 0.00 C ATOM 560 C LEU A 100 -1.357 -1.787 -10.185 1.00 0.00 C ATOM 561 O LEU A 100 -2.121 -2.378 -9.415 1.00 0.00 O ATOM 562 CB LEU A 100 -0.350 -3.673 -11.432 1.00 0.00 C ATOM 563 CG LEU A 100 0.668 -3.870 -12.557 1.00 0.00 C ATOM 564 CD1 LEU A 100 1.985 -4.417 -12.001 1.00 0.00 C ATOM 565 CD2 LEU A 100 0.110 -4.856 -13.578 1.00 0.00 C ATOM 0 H LEU A 100 1.124 -3.606 -9.328 1.00 0.00 H new ATOM 0 HA LEU A 100 0.473 -1.660 -11.238 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.341 -4.541 -10.772 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.353 -3.602 -11.852 1.00 0.00 H new ATOM 0 HG LEU A 100 0.856 -2.906 -13.030 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.696 -4.551 -12.816 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.393 -3.714 -11.275 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.805 -5.376 -11.516 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.834 -4.998 -14.380 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.085 -5.812 -13.092 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.819 -4.464 -13.992 1.00 0.00 H new ATOM 566 N GLU A 101 -1.563 -0.595 -10.731 1.00 0.00 N ATOM 567 CA GLU A 101 -2.735 0.240 -10.447 1.00 0.00 C ATOM 568 C GLU A 101 -4.027 -0.393 -10.981 1.00 0.00 C ATOM 569 O GLU A 101 -4.329 -0.425 -12.173 1.00 0.00 O ATOM 570 CB GLU A 101 -2.518 1.643 -11.030 1.00 0.00 C ATOM 571 CG GLU A 101 -3.288 2.778 -10.333 1.00 0.00 C ATOM 572 CD GLU A 101 -4.796 2.690 -10.532 1.00 0.00 C ATOM 573 OE1 GLU A 101 -5.249 3.169 -11.599 1.00 0.00 O ATOM 574 OE2 GLU A 101 -5.462 2.119 -9.646 1.00 0.00 O ATOM 0 H GLU A 101 -0.914 -0.170 -11.394 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.851 0.319 -9.366 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.453 1.873 -10.991 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.802 1.628 -12.082 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.067 2.757 -9.266 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.933 3.736 -10.713 1.00 0.00 H new ATOM 575 N ARG A 102 -4.698 -0.981 -10.014 1.00 0.00 N ATOM 576 CA ARG A 102 -6.004 -1.647 -10.141 1.00 0.00 C ATOM 577 C ARG A 102 -7.054 -0.700 -9.553 1.00 0.00 C ATOM 578 O ARG A 102 -6.946 -0.251 -8.412 1.00 0.00 O ATOM 579 CB ARG A 102 -5.976 -2.901 -9.282 1.00 0.00 C ATOM 580 CG ARG A 102 -4.896 -3.940 -9.616 1.00 0.00 C ATOM 581 CD ARG A 102 -5.025 -4.560 -11.017 1.00 0.00 C ATOM 582 NE ARG A 102 -6.294 -5.273 -11.249 1.00 0.00 N ATOM 583 CZ ARG A 102 -7.272 -4.885 -12.073 1.00 0.00 C ATOM 584 NH1 ARG A 102 -7.116 -3.872 -12.920 1.00 0.00 N ATOM 585 NH2 ARG A 102 -8.366 -5.612 -12.201 1.00 0.00 N ATOM 0 H ARG A 102 -4.339 -1.017 -9.060 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.225 -1.894 -11.179 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.848 -2.599 -8.243 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -6.949 -3.386 -9.356 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.917 -3.470 -9.529 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -4.934 -4.737 -8.874 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.924 -3.771 -11.762 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.198 -5.253 -11.173 1.00 0.00 H new ATOM 0 HE ARG A 102 -6.439 -6.141 -10.734 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.230 -3.367 -12.953 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -7.882 -3.600 -13.536 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -8.469 -6.476 -11.669 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -9.108 -5.310 -12.832 1.00 0.00 H new ATOM 586 N LEU A 103 -8.103 -0.481 -10.315 1.00 0.00 N ATOM 587 CA LEU A 103 -9.177 0.428 -9.895 1.00 0.00 C ATOM 588 C LEU A 103 -10.518 -0.315 -9.768 1.00 0.00 C ATOM 589 O LEU A 103 -11.046 -0.843 -10.735 1.00 0.00 O ATOM 590 CB LEU A 103 -9.255 1.576 -10.909 1.00 0.00 C ATOM 591 CG LEU A 103 -10.201 2.722 -10.545 1.00 0.00 C ATOM 592 CD1 LEU A 103 -9.808 3.424 -9.247 1.00 0.00 C ATOM 593 CD2 LEU A 103 -10.279 3.717 -11.693 1.00 0.00 C ATOM 0 H LEU A 103 -8.246 -0.913 -11.228 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.958 0.832 -8.907 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -8.254 1.985 -11.044 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.564 1.166 -11.871 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.186 2.286 -10.375 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -10.515 4.228 -9.040 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.823 2.707 -8.426 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -8.805 3.839 -9.347 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -10.955 4.529 -11.425 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -9.287 4.121 -11.892 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.652 3.214 -12.585 1.00 0.00 H new ATOM 594 N GLU A 104 -11.136 -0.014 -8.631 1.00 0.00 N ATOM 595 CA GLU A 104 -12.466 -0.535 -8.241 1.00 0.00 C ATOM 596 C GLU A 104 -13.614 0.332 -8.821 1.00 0.00 C ATOM 597 O GLU A 104 -14.743 0.299 -8.346 1.00 0.00 O ATOM 598 CB GLU A 104 -12.588 -0.527 -6.707 1.00 0.00 C ATOM 599 CG GLU A 104 -11.698 -1.528 -5.961 1.00 0.00 C ATOM 600 CD GLU A 104 -12.270 -2.948 -5.885 1.00 0.00 C ATOM 601 OE1 GLU A 104 -12.631 -3.513 -6.943 1.00 0.00 O ATOM 602 OE2 GLU A 104 -12.310 -3.473 -4.755 1.00 0.00 O ATOM 0 H GLU A 104 -10.729 0.609 -7.933 1.00 0.00 H new ATOM 0 HA GLU A 104 -12.553 -1.546 -8.638 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.355 0.475 -6.348 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.627 -0.726 -6.443 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.725 -1.567 -6.451 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.530 -1.162 -4.948 1.00 0.00 H new ATOM 603 N GLU A 105 -13.310 0.949 -9.961 1.00 0.00 N ATOM 604 CA GLU A 105 -14.072 2.054 -10.587 1.00 0.00 C ATOM 605 C GLU A 105 -14.299 3.311 -9.742 1.00 0.00 C ATOM 606 O GLU A 105 -13.764 4.370 -10.032 1.00 0.00 O ATOM 607 CB GLU A 105 -15.400 1.560 -11.205 1.00 0.00 C ATOM 608 CG GLU A 105 -15.174 0.528 -12.317 1.00 0.00 C ATOM 609 CD GLU A 105 -16.498 0.052 -12.895 1.00 0.00 C ATOM 610 OE1 GLU A 105 -17.058 -0.922 -12.336 1.00 0.00 O ATOM 611 OE2 GLU A 105 -16.927 0.662 -13.909 1.00 0.00 O ATOM 0 H GLU A 105 -12.489 0.688 -10.507 1.00 0.00 H new ATOM 0 HA GLU A 105 -13.397 2.390 -11.374 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -16.020 1.120 -10.424 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -15.950 2.411 -11.608 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -14.565 0.967 -13.107 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -14.619 -0.323 -11.922 1.00 0.00 H new ATOM 612 N ASN A 106 -14.947 3.076 -8.609 1.00 0.00 N ATOM 613 CA ASN A 106 -15.343 4.062 -7.584 1.00 0.00 C ATOM 614 C ASN A 106 -14.195 4.667 -6.745 1.00 0.00 C ATOM 615 O ASN A 106 -14.265 4.759 -5.514 1.00 0.00 O ATOM 616 CB ASN A 106 -16.345 3.299 -6.722 1.00 0.00 C ATOM 617 CG ASN A 106 -17.674 3.055 -7.457 1.00 0.00 C ATOM 618 OD1 ASN A 106 -17.785 2.230 -8.342 1.00 0.00 O ATOM 619 ND2 ASN A 106 -18.672 3.851 -7.145 1.00 0.00 N ATOM 0 H ASN A 106 -15.234 2.131 -8.354 1.00 0.00 H new ATOM 0 HA ASN A 106 -15.751 4.954 -8.059 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -15.914 2.342 -6.427 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -16.535 3.859 -5.806 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -19.556 3.782 -7.649 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -18.562 4.538 -6.399 1.00 0.00 H new ATOM 620 N HIS A 107 -13.195 5.185 -7.454 1.00 0.00 N ATOM 621 CA HIS A 107 -12.000 5.912 -6.938 1.00 0.00 C ATOM 622 C HIS A 107 -11.010 5.057 -6.118 1.00 0.00 C ATOM 623 O HIS A 107 -9.843 5.417 -5.991 1.00 0.00 O ATOM 624 CB HIS A 107 -12.382 7.171 -6.143 1.00 0.00 C ATOM 625 CG HIS A 107 -13.384 8.060 -6.894 1.00 0.00 C ATOM 626 ND1 HIS A 107 -14.701 7.896 -6.869 1.00 0.00 N ATOM 627 CD2 HIS A 107 -13.108 9.078 -7.694 1.00 0.00 C ATOM 628 CE1 HIS A 107 -15.245 8.799 -7.675 1.00 0.00 C ATOM 629 NE2 HIS A 107 -14.261 9.526 -8.185 1.00 0.00 N ATOM 0 H HIS A 107 -13.181 5.113 -8.471 1.00 0.00 H new ATOM 0 HA HIS A 107 -11.471 6.200 -7.847 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -12.810 6.876 -5.185 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -11.482 7.747 -5.926 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -12.126 9.473 -7.909 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -16.299 8.920 -7.879 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -14.369 10.298 -8.843 1.00 0.00 H new ATOM 630 N TYR A 108 -11.513 3.970 -5.533 1.00 0.00 N ATOM 631 CA TYR A 108 -10.695 2.997 -4.789 1.00 0.00 C ATOM 632 C TYR A 108 -9.576 2.396 -5.640 1.00 0.00 C ATOM 633 O TYR A 108 -9.804 1.732 -6.650 1.00 0.00 O ATOM 634 CB TYR A 108 -11.488 1.830 -4.207 1.00 0.00 C ATOM 635 CG TYR A 108 -12.591 2.282 -3.257 1.00 0.00 C ATOM 636 CD1 TYR A 108 -12.233 2.769 -1.978 1.00 0.00 C ATOM 637 CD2 TYR A 108 -13.916 2.296 -3.723 1.00 0.00 C ATOM 638 CE1 TYR A 108 -13.232 3.311 -1.170 1.00 0.00 C ATOM 639 CE2 TYR A 108 -14.916 2.853 -2.907 1.00 0.00 C ATOM 640 CZ TYR A 108 -14.559 3.356 -1.645 1.00 0.00 C ATOM 641 OH TYR A 108 -15.526 3.873 -0.849 1.00 0.00 O ATOM 0 H TYR A 108 -12.505 3.733 -5.559 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.284 3.593 -3.974 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.929 1.254 -5.021 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -10.808 1.163 -3.677 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.210 2.722 -1.635 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -14.162 1.886 -4.691 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.991 3.693 -0.189 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -15.941 2.893 -3.245 1.00 0.00 H new ATOM 0 HH TYR A 108 -16.387 3.837 -1.315 1.00 0.00 H new ATOM 642 N ASN A 109 -8.401 2.734 -5.169 1.00 0.00 N ATOM 643 CA ASN A 109 -7.124 2.263 -5.709 1.00 0.00 C ATOM 644 C ASN A 109 -6.673 1.029 -4.934 1.00 0.00 C ATOM 645 O ASN A 109 -6.665 1.002 -3.701 1.00 0.00 O ATOM 646 CB ASN A 109 -6.102 3.381 -5.552 1.00 0.00 C ATOM 647 CG ASN A 109 -6.061 4.308 -6.763 1.00 0.00 C ATOM 648 OD1 ASN A 109 -5.094 4.375 -7.514 1.00 0.00 O ATOM 649 ND2 ASN A 109 -7.107 5.081 -6.962 1.00 0.00 N ATOM 0 H ASN A 109 -8.290 3.364 -4.374 1.00 0.00 H new ATOM 0 HA ASN A 109 -7.226 1.998 -6.761 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -6.338 3.963 -4.661 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.114 2.947 -5.397 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -7.115 5.738 -7.742 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -7.910 5.023 -6.336 1.00 0.00 H new ATOM 650 N THR A 110 -6.577 -0.032 -5.714 1.00 0.00 N ATOM 651 CA THR A 110 -6.060 -1.340 -5.285 1.00 0.00 C ATOM 652 C THR A 110 -4.788 -1.588 -6.124 1.00 0.00 C ATOM 653 O THR A 110 -4.655 -1.056 -7.216 1.00 0.00 O ATOM 654 CB THR A 110 -7.162 -2.403 -5.435 1.00 0.00 C ATOM 655 OG1 THR A 110 -7.705 -2.517 -6.756 1.00 0.00 O ATOM 656 CG2 THR A 110 -8.347 -2.126 -4.513 1.00 0.00 C ATOM 0 H THR A 110 -6.862 -0.018 -6.693 1.00 0.00 H new ATOM 0 HA THR A 110 -5.784 -1.383 -4.231 1.00 0.00 H new ATOM 0 HB THR A 110 -6.649 -3.330 -5.177 1.00 0.00 H new ATOM 0 HG1 THR A 110 -8.058 -3.422 -6.888 1.00 0.00 H new ATOM 0 HG21 THR A 110 -9.103 -2.899 -4.650 1.00 0.00 H new ATOM 0 HG22 THR A 110 -8.010 -2.127 -3.477 1.00 0.00 H new ATOM 0 HG23 THR A 110 -8.776 -1.153 -4.754 1.00 0.00 H new ATOM 657 N TYR A 111 -3.793 -2.279 -5.579 1.00 0.00 N ATOM 658 CA TYR A 111 -2.477 -2.345 -6.272 1.00 0.00 C ATOM 659 C TYR A 111 -1.765 -3.679 -6.041 1.00 0.00 C ATOM 660 O TYR A 111 -1.334 -3.970 -4.923 1.00 0.00 O ATOM 661 CB TYR A 111 -1.530 -1.222 -5.827 1.00 0.00 C ATOM 662 CG TYR A 111 -2.070 0.215 -5.844 1.00 0.00 C ATOM 663 CD1 TYR A 111 -2.055 0.948 -7.050 1.00 0.00 C ATOM 664 CD2 TYR A 111 -2.395 0.821 -4.608 1.00 0.00 C ATOM 665 CE1 TYR A 111 -2.358 2.322 -7.011 1.00 0.00 C ATOM 666 CE2 TYR A 111 -2.674 2.199 -4.572 1.00 0.00 C ATOM 667 CZ TYR A 111 -2.651 2.928 -5.782 1.00 0.00 C ATOM 668 OH TYR A 111 -2.985 4.247 -5.730 1.00 0.00 O ATOM 0 H TYR A 111 -3.849 -2.788 -4.697 1.00 0.00 H new ATOM 0 HA TYR A 111 -2.709 -2.233 -7.331 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -1.200 -1.444 -4.812 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -0.647 -1.256 -6.464 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -1.816 0.464 -7.985 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -2.429 0.233 -3.703 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -2.365 2.904 -7.921 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -2.901 2.690 -3.638 1.00 0.00 H new ATOM 0 HH TYR A 111 -3.567 4.467 -6.487 1.00 0.00 H new ATOM 669 N ILE A 112 -1.659 -4.469 -7.108 1.00 0.00 N ATOM 670 CA ILE A 112 -0.900 -5.750 -7.080 1.00 0.00 C ATOM 671 C ILE A 112 0.583 -5.405 -6.851 1.00 0.00 C ATOM 672 O ILE A 112 1.177 -4.679 -7.633 1.00 0.00 O ATOM 673 CB ILE A 112 -0.993 -6.549 -8.411 1.00 0.00 C ATOM 674 CG1 ILE A 112 -2.437 -6.893 -8.811 1.00 0.00 C ATOM 675 CG2 ILE A 112 -0.105 -7.806 -8.435 1.00 0.00 C ATOM 676 CD1 ILE A 112 -3.177 -7.911 -7.932 1.00 0.00 C ATOM 0 H ILE A 112 -2.084 -4.257 -8.011 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.328 -6.370 -6.292 1.00 0.00 H new ATOM 0 HB ILE A 112 -0.600 -5.866 -9.164 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -3.016 -5.969 -8.821 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.425 -7.272 -9.833 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -0.220 -8.314 -9.392 1.00 0.00 H new ATOM 0 HG22 ILE A 112 0.937 -7.518 -8.300 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -0.403 -8.478 -7.630 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.183 -8.065 -8.322 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.637 -8.858 -7.938 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -3.237 -7.534 -6.911 1.00 0.00 H new ATOM 677 N SER A 113 1.184 -6.177 -5.952 1.00 0.00 N ATOM 678 CA SER A 113 2.612 -6.047 -5.632 1.00 0.00 C ATOM 679 C SER A 113 3.483 -6.781 -6.652 1.00 0.00 C ATOM 680 O SER A 113 4.001 -7.855 -6.397 1.00 0.00 O ATOM 681 CB SER A 113 2.904 -6.506 -4.192 1.00 0.00 C ATOM 682 OG SER A 113 2.466 -7.849 -3.931 1.00 0.00 O ATOM 0 H SER A 113 0.705 -6.907 -5.425 1.00 0.00 H new ATOM 0 HA SER A 113 2.871 -4.990 -5.694 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.976 -6.436 -4.005 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.414 -5.828 -3.494 1.00 0.00 H new ATOM 0 HG SER A 113 1.487 -7.883 -3.951 1.00 0.00 H new ATOM 683 N LYS A 114 3.712 -6.106 -7.777 1.00 0.00 N ATOM 684 CA LYS A 114 4.397 -6.565 -9.002 1.00 0.00 C ATOM 685 C LYS A 114 4.911 -8.015 -9.026 1.00 0.00 C ATOM 686 O LYS A 114 4.296 -8.882 -9.648 1.00 0.00 O ATOM 687 CB LYS A 114 5.538 -5.600 -9.309 1.00 0.00 C ATOM 688 CG LYS A 114 5.417 -4.928 -10.666 1.00 0.00 C ATOM 689 CD LYS A 114 5.633 -5.965 -11.771 1.00 0.00 C ATOM 690 CE LYS A 114 5.664 -5.249 -13.102 1.00 0.00 C ATOM 691 NZ LYS A 114 6.033 -6.218 -14.152 1.00 0.00 N ATOM 0 H LYS A 114 3.399 -5.140 -7.871 1.00 0.00 H new ATOM 0 HA LYS A 114 3.623 -6.566 -9.769 1.00 0.00 H new ATOM 0 HB2 LYS A 114 5.573 -4.833 -8.535 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.483 -6.141 -9.264 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.434 -4.470 -10.770 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.152 -4.128 -10.754 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.567 -6.503 -11.608 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.833 -6.705 -11.758 1.00 0.00 H new ATOM 0 HE2 LYS A 114 4.690 -4.811 -13.318 1.00 0.00 H new ATOM 0 HE3 LYS A 114 6.383 -4.430 -13.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.058 -5.738 -15.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.971 -6.616 -13.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 5.330 -6.984 -14.180 1.00 0.00 H new ATOM 692 N LYS A 115 5.986 -8.285 -8.287 1.00 0.00 N ATOM 693 CA LYS A 115 6.603 -9.620 -8.204 1.00 0.00 C ATOM 694 C LYS A 115 5.636 -10.732 -7.715 1.00 0.00 C ATOM 695 O LYS A 115 5.650 -11.854 -8.229 1.00 0.00 O ATOM 696 CB LYS A 115 7.883 -9.540 -7.363 1.00 0.00 C ATOM 697 CG LYS A 115 7.625 -9.387 -5.853 1.00 0.00 C ATOM 698 CD LYS A 115 8.499 -10.332 -5.018 1.00 0.00 C ATOM 699 CE LYS A 115 8.141 -11.800 -5.253 1.00 0.00 C ATOM 700 NZ LYS A 115 9.271 -12.518 -5.842 1.00 0.00 N ATOM 0 H LYS A 115 6.462 -7.582 -7.722 1.00 0.00 H new ATOM 0 HA LYS A 115 6.863 -9.924 -9.218 1.00 0.00 H new ATOM 0 HB2 LYS A 115 8.474 -10.440 -7.532 1.00 0.00 H new ATOM 0 HB3 LYS A 115 8.481 -8.696 -7.707 1.00 0.00 H new ATOM 0 HG2 LYS A 115 7.820 -8.357 -5.555 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.574 -9.586 -5.643 1.00 0.00 H new ATOM 0 HD2 LYS A 115 9.548 -10.170 -5.267 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.382 -10.095 -3.961 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.859 -12.267 -4.309 1.00 0.00 H new ATOM 0 HE3 LYS A 115 7.276 -11.868 -5.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 8.934 -13.404 -6.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.715 -11.926 -6.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 9.968 -12.735 -5.102 1.00 0.00 H new ATOM 701 N HIS A 116 4.699 -10.357 -6.844 1.00 0.00 N ATOM 702 CA HIS A 116 3.636 -11.225 -6.312 1.00 0.00 C ATOM 703 C HIS A 116 2.383 -11.228 -7.194 1.00 0.00 C ATOM 704 O HIS A 116 1.315 -11.657 -6.764 1.00 0.00 O ATOM 705 CB HIS A 116 3.273 -10.754 -4.899 1.00 0.00 C ATOM 706 CG HIS A 116 4.466 -10.654 -3.962 1.00 0.00 C ATOM 707 ND1 HIS A 116 4.871 -9.521 -3.381 1.00 0.00 N ATOM 708 CD2 HIS A 116 5.232 -11.634 -3.524 1.00 0.00 C ATOM 709 CE1 HIS A 116 5.888 -9.819 -2.586 1.00 0.00 C ATOM 710 NE2 HIS A 116 6.108 -11.116 -2.671 1.00 0.00 N ATOM 0 H HIS A 116 4.653 -9.408 -6.473 1.00 0.00 H new ATOM 0 HA HIS A 116 4.015 -12.247 -6.294 1.00 0.00 H new ATOM 0 HB2 HIS A 116 2.790 -9.779 -4.964 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.544 -11.443 -4.472 1.00 0.00 H new ATOM 0 HD1 HIS A 116 4.470 -8.594 -3.524 1.00 0.00 H new ATOM 0 HD2 HIS A 116 5.160 -12.673 -3.809 1.00 0.00 H new ATOM 0 HE1 HIS A 116 6.441 -9.121 -1.975 1.00 0.00 H new ATOM 711 N ALA A 117 2.567 -10.885 -8.476 1.00 0.00 N ATOM 712 CA ALA A 117 1.551 -11.104 -9.533 1.00 0.00 C ATOM 713 C ALA A 117 1.082 -12.561 -9.533 1.00 0.00 C ATOM 714 O ALA A 117 -0.124 -12.811 -9.416 1.00 0.00 O ATOM 715 CB ALA A 117 2.142 -10.750 -10.900 1.00 0.00 C ATOM 0 H ALA A 117 3.423 -10.447 -8.817 1.00 0.00 H new ATOM 0 HA ALA A 117 0.694 -10.462 -9.331 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.392 -10.912 -11.674 1.00 0.00 H new ATOM 0 HB2 ALA A 117 2.447 -9.704 -10.905 1.00 0.00 H new ATOM 0 HB3 ALA A 117 3.008 -11.382 -11.096 1.00 0.00 H new ATOM 716 N GLU A 118 2.022 -13.448 -9.220 1.00 0.00 N ATOM 717 CA GLU A 118 1.804 -14.905 -9.119 1.00 0.00 C ATOM 718 C GLU A 118 0.919 -15.352 -7.931 1.00 0.00 C ATOM 719 O GLU A 118 0.380 -16.448 -7.917 1.00 0.00 O ATOM 720 CB GLU A 118 3.095 -15.740 -9.124 1.00 0.00 C ATOM 721 CG GLU A 118 4.426 -14.983 -9.006 1.00 0.00 C ATOM 722 CD GLU A 118 4.911 -14.453 -10.363 1.00 0.00 C ATOM 723 OE1 GLU A 118 4.396 -13.396 -10.798 1.00 0.00 O ATOM 724 OE2 GLU A 118 5.800 -15.116 -10.931 1.00 0.00 O ATOM 0 H GLU A 118 2.985 -13.176 -9.023 1.00 0.00 H new ATOM 0 HA GLU A 118 1.255 -15.109 -10.038 1.00 0.00 H new ATOM 0 HB2 GLU A 118 3.039 -16.453 -8.301 1.00 0.00 H new ATOM 0 HB3 GLU A 118 3.118 -16.320 -10.047 1.00 0.00 H new ATOM 0 HG2 GLU A 118 4.309 -14.150 -8.313 1.00 0.00 H new ATOM 0 HG3 GLU A 118 5.183 -15.644 -8.584 1.00 0.00 H new ATOM 725 N LYS A 119 0.792 -14.454 -6.959 1.00 0.00 N ATOM 726 CA LYS A 119 -0.013 -14.648 -5.743 1.00 0.00 C ATOM 727 C LYS A 119 -1.233 -13.713 -5.655 1.00 0.00 C ATOM 728 O LYS A 119 -2.110 -13.948 -4.832 1.00 0.00 O ATOM 729 CB LYS A 119 0.949 -14.438 -4.564 1.00 0.00 C ATOM 730 CG LYS A 119 1.799 -15.687 -4.324 1.00 0.00 C ATOM 731 CD LYS A 119 3.244 -15.359 -3.956 1.00 0.00 C ATOM 732 CE LYS A 119 4.030 -14.906 -5.182 1.00 0.00 C ATOM 733 NZ LYS A 119 5.425 -14.634 -4.790 1.00 0.00 N ATOM 0 H LYS A 119 1.255 -13.546 -6.990 1.00 0.00 H new ATOM 0 HA LYS A 119 -0.448 -15.648 -5.741 1.00 0.00 H new ATOM 0 HB2 LYS A 119 1.597 -13.585 -4.766 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.381 -14.201 -3.664 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.351 -16.278 -3.525 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.789 -16.305 -5.222 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.261 -14.576 -3.198 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.720 -16.236 -3.518 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.000 -15.676 -5.953 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.578 -14.010 -5.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 5.753 -13.764 -5.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 5.479 -14.516 -3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.028 -15.430 -5.079 1.00 0.00 H new ATOM 734 N ASN A 120 -1.337 -12.759 -6.591 1.00 0.00 N ATOM 735 CA ASN A 120 -2.356 -11.679 -6.648 1.00 0.00 C ATOM 736 C ASN A 120 -2.441 -10.819 -5.374 1.00 0.00 C ATOM 737 O ASN A 120 -3.467 -10.211 -5.069 1.00 0.00 O ATOM 738 CB ASN A 120 -3.752 -12.250 -6.956 1.00 0.00 C ATOM 739 CG ASN A 120 -3.771 -13.043 -8.262 1.00 0.00 C ATOM 740 OD1 ASN A 120 -4.072 -12.560 -9.339 1.00 0.00 O ATOM 741 ND2 ASN A 120 -3.452 -14.312 -8.138 1.00 0.00 N ATOM 0 H ASN A 120 -0.684 -12.709 -7.373 1.00 0.00 H new ATOM 0 HA ASN A 120 -2.021 -11.026 -7.454 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -4.069 -12.894 -6.136 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -4.472 -11.434 -7.017 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -3.452 -14.920 -8.957 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -3.204 -14.689 -7.223 1.00 0.00 H new ATOM 742 N TRP A 121 -1.290 -10.681 -4.715 1.00 0.00 N ATOM 743 CA TRP A 121 -1.234 -9.909 -3.462 1.00 0.00 C ATOM 744 C TRP A 121 -1.266 -8.413 -3.726 1.00 0.00 C ATOM 745 O TRP A 121 -0.317 -7.822 -4.257 1.00 0.00 O ATOM 746 CB TRP A 121 0.003 -10.183 -2.603 1.00 0.00 C ATOM 747 CG TRP A 121 0.154 -11.626 -2.137 1.00 0.00 C ATOM 748 CD1 TRP A 121 -0.790 -12.568 -2.094 1.00 0.00 C ATOM 749 CD2 TRP A 121 1.313 -12.140 -1.592 1.00 0.00 C ATOM 750 NE1 TRP A 121 -0.269 -13.667 -1.552 1.00 0.00 N ATOM 751 CE2 TRP A 121 0.992 -13.447 -1.194 1.00 0.00 C ATOM 752 CE3 TRP A 121 2.580 -11.594 -1.330 1.00 0.00 C ATOM 753 CZ2 TRP A 121 1.924 -14.222 -0.474 1.00 0.00 C ATOM 754 CZ3 TRP A 121 3.532 -12.368 -0.646 1.00 0.00 C ATOM 755 CH2 TRP A 121 3.190 -13.660 -0.180 1.00 0.00 C ATOM 0 H TRP A 121 -0.401 -11.081 -5.014 1.00 0.00 H new ATOM 0 HA TRP A 121 -2.117 -10.241 -2.916 1.00 0.00 H new ATOM 0 HB2 TRP A 121 0.891 -9.905 -3.171 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -0.030 -9.535 -1.727 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -1.807 -12.458 -2.441 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -0.765 -14.550 -1.429 1.00 0.00 H new ATOM 0 HE3 TRP A 121 2.820 -10.591 -1.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 1.678 -15.223 -0.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 4.524 -11.977 -0.476 1.00 0.00 H new ATOM 0 HH2 TRP A 121 3.902 -14.223 0.406 1.00 0.00 H new ATOM 756 N PHE A 122 -2.397 -7.856 -3.341 1.00 0.00 N ATOM 757 CA PHE A 122 -2.553 -6.401 -3.321 1.00 0.00 C ATOM 758 C PHE A 122 -2.051 -5.881 -1.970 1.00 0.00 C ATOM 759 O PHE A 122 -2.087 -6.580 -0.970 1.00 0.00 O ATOM 760 CB PHE A 122 -4.025 -6.005 -3.404 1.00 0.00 C ATOM 761 CG PHE A 122 -4.720 -6.399 -4.700 1.00 0.00 C ATOM 762 CD1 PHE A 122 -5.271 -7.701 -4.821 1.00 0.00 C ATOM 763 CD2 PHE A 122 -5.001 -5.399 -5.650 1.00 0.00 C ATOM 764 CE1 PHE A 122 -6.120 -7.995 -5.907 1.00 0.00 C ATOM 765 CE2 PHE A 122 -5.869 -5.695 -6.725 1.00 0.00 C ATOM 766 CZ PHE A 122 -6.419 -6.988 -6.849 1.00 0.00 C ATOM 0 H PHE A 122 -3.220 -8.377 -3.039 1.00 0.00 H new ATOM 0 HA PHE A 122 -2.002 -5.990 -4.167 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -4.557 -6.462 -2.569 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -4.104 -4.925 -3.280 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -5.042 -8.460 -4.088 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -4.559 -4.418 -5.558 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -6.539 -8.984 -6.017 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -6.111 -4.932 -7.451 1.00 0.00 H new ATOM 0 HZ PHE A 122 -7.078 -7.210 -7.676 1.00 0.00 H new ATOM 767 N VAL A 123 -1.601 -4.631 -2.014 1.00 0.00 N ATOM 768 CA VAL A 123 -1.467 -3.806 -0.802 1.00 0.00 C ATOM 769 C VAL A 123 -2.806 -3.774 -0.048 1.00 0.00 C ATOM 770 O VAL A 123 -3.861 -3.817 -0.674 1.00 0.00 O ATOM 771 CB VAL A 123 -0.949 -2.402 -1.205 1.00 0.00 C ATOM 772 CG1 VAL A 123 -1.682 -1.811 -2.416 1.00 0.00 C ATOM 773 CG2 VAL A 123 -1.003 -1.355 -0.095 1.00 0.00 C ATOM 0 H VAL A 123 -1.321 -4.160 -2.874 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.737 -4.232 -0.113 1.00 0.00 H new ATOM 0 HB VAL A 123 0.094 -2.605 -1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -1.271 -0.828 -2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -1.553 -2.468 -3.276 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -2.744 -1.716 -2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -0.621 -0.406 -0.471 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -2.034 -1.226 0.234 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -0.393 -1.684 0.746 1.00 0.00 H new ATOM 774 N GLY A 124 -2.699 -3.806 1.273 1.00 0.00 N ATOM 775 CA GLY A 124 -3.870 -3.854 2.156 1.00 0.00 C ATOM 776 C GLY A 124 -3.531 -3.343 3.549 1.00 0.00 C ATOM 777 O GLY A 124 -2.403 -3.416 4.034 1.00 0.00 O ATOM 0 H GLY A 124 -1.806 -3.800 1.767 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -4.674 -3.253 1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -4.238 -4.878 2.221 1.00 0.00 H new ATOM 778 N LEU A 125 -4.524 -2.598 3.996 1.00 0.00 N ATOM 779 CA LEU A 125 -4.501 -2.008 5.327 1.00 0.00 C ATOM 780 C LEU A 125 -5.286 -2.874 6.295 1.00 0.00 C ATOM 781 O LEU A 125 -6.437 -3.251 6.066 1.00 0.00 O ATOM 782 CB LEU A 125 -5.010 -0.580 5.233 1.00 0.00 C ATOM 783 CG LEU A 125 -3.821 0.375 5.290 1.00 0.00 C ATOM 784 CD1 LEU A 125 -2.798 0.165 4.190 1.00 0.00 C ATOM 785 CD2 LEU A 125 -4.353 1.798 5.151 1.00 0.00 C ATOM 0 H LEU A 125 -5.362 -2.384 3.456 1.00 0.00 H new ATOM 0 HA LEU A 125 -3.486 -1.966 5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -5.563 -0.438 4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -5.700 -0.372 6.051 1.00 0.00 H new ATOM 0 HG LEU A 125 -3.317 0.188 6.238 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -1.987 0.884 4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.397 -0.847 4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -3.273 0.306 3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -3.522 2.502 5.189 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -4.873 1.901 4.199 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -5.045 2.009 5.966 1.00 0.00 H new ATOM 786 N LYS A 126 -4.458 -3.454 7.139 1.00 0.00 N ATOM 787 CA LYS A 126 -4.934 -4.331 8.188 1.00 0.00 C ATOM 788 C LYS A 126 -5.713 -3.496 9.229 1.00 0.00 C ATOM 789 O LYS A 126 -5.160 -2.651 9.945 1.00 0.00 O ATOM 790 CB LYS A 126 -3.720 -5.022 8.817 1.00 0.00 C ATOM 791 CG LYS A 126 -3.942 -6.403 9.445 1.00 0.00 C ATOM 792 CD LYS A 126 -4.850 -6.379 10.691 1.00 0.00 C ATOM 793 CE LYS A 126 -4.352 -5.375 11.743 1.00 0.00 C ATOM 794 NZ LYS A 126 -3.195 -5.864 12.489 1.00 0.00 N ATOM 0 H LYS A 126 -3.445 -3.332 7.118 1.00 0.00 H new ATOM 0 HA LYS A 126 -5.609 -5.091 7.795 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -2.953 -5.120 8.049 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -3.318 -4.363 9.586 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -4.381 -7.065 8.699 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -2.976 -6.827 9.718 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -5.867 -6.120 10.395 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -4.890 -7.376 11.130 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -4.091 -4.438 11.250 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -5.161 -5.154 12.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -3.367 -5.752 13.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -3.042 -6.870 12.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -2.352 -5.319 12.218 1.00 0.00 H new ATOM 795 N LYS A 127 -7.014 -3.732 9.206 1.00 0.00 N ATOM 796 CA LYS A 127 -8.094 -2.972 9.885 1.00 0.00 C ATOM 797 C LYS A 127 -8.127 -2.935 11.427 1.00 0.00 C ATOM 798 O LYS A 127 -9.154 -3.113 12.081 1.00 0.00 O ATOM 799 CB LYS A 127 -9.486 -3.300 9.301 1.00 0.00 C ATOM 800 CG LYS A 127 -9.741 -4.766 8.953 1.00 0.00 C ATOM 801 CD LYS A 127 -9.302 -5.065 7.512 1.00 0.00 C ATOM 802 CE LYS A 127 -9.189 -6.559 7.263 1.00 0.00 C ATOM 803 NZ LYS A 127 -8.026 -7.109 7.976 1.00 0.00 N ATOM 0 H LYS A 127 -7.390 -4.518 8.675 1.00 0.00 H new ATOM 0 HA LYS A 127 -7.808 -1.948 9.645 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -10.243 -2.981 10.018 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -9.629 -2.704 8.400 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -9.198 -5.409 9.645 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -10.800 -4.994 9.071 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -10.019 -4.632 6.815 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -8.341 -4.589 7.317 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -10.098 -7.060 7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -9.093 -6.750 6.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -8.288 -8.010 8.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -7.250 -7.271 7.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -7.716 -6.436 8.706 1.00 0.00 H new ATOM 804 N ASN A 128 -6.956 -2.670 11.984 1.00 0.00 N ATOM 805 CA ASN A 128 -6.761 -2.388 13.417 1.00 0.00 C ATOM 806 C ASN A 128 -5.905 -1.131 13.619 1.00 0.00 C ATOM 807 O ASN A 128 -6.275 -0.230 14.376 1.00 0.00 O ATOM 808 CB ASN A 128 -6.076 -3.586 14.072 1.00 0.00 C ATOM 809 CG ASN A 128 -7.003 -4.810 14.195 1.00 0.00 C ATOM 810 OD1 ASN A 128 -6.811 -5.860 13.609 1.00 0.00 O ATOM 811 ND2 ASN A 128 -8.045 -4.686 14.981 1.00 0.00 N ATOM 0 H ASN A 128 -6.088 -2.642 11.449 1.00 0.00 H new ATOM 0 HA ASN A 128 -7.734 -2.214 13.876 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -5.196 -3.859 13.489 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -5.725 -3.301 15.064 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -8.690 -5.467 15.099 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -8.210 -3.809 15.474 1.00 0.00 H new ATOM 812 N GLY A 129 -4.793 -1.110 12.891 1.00 0.00 N ATOM 813 CA GLY A 129 -3.835 0.013 12.854 1.00 0.00 C ATOM 814 C GLY A 129 -2.441 -0.383 12.340 1.00 0.00 C ATOM 815 O GLY A 129 -1.440 -0.036 12.963 1.00 0.00 O ATOM 0 H GLY A 129 -4.517 -1.888 12.292 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -4.237 0.802 12.218 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -3.738 0.430 13.856 1.00 0.00 H new ATOM 816 N SER A 130 -2.428 -1.314 11.388 1.00 0.00 N ATOM 817 CA SER A 130 -1.205 -1.711 10.664 1.00 0.00 C ATOM 818 C SER A 130 -1.525 -2.182 9.246 1.00 0.00 C ATOM 819 O SER A 130 -2.559 -1.842 8.679 1.00 0.00 O ATOM 820 CB SER A 130 -0.479 -2.824 11.449 1.00 0.00 C ATOM 821 OG SER A 130 -1.230 -4.035 11.350 1.00 0.00 O ATOM 0 H SER A 130 -3.262 -1.820 11.091 1.00 0.00 H new ATOM 0 HA SER A 130 -0.555 -0.840 10.582 1.00 0.00 H new ATOM 0 HB2 SER A 130 0.525 -2.971 11.051 1.00 0.00 H new ATOM 0 HB3 SER A 130 -0.368 -2.535 12.494 1.00 0.00 H new ATOM 0 HG SER A 130 -0.993 -4.500 10.521 1.00 0.00 H new ATOM 822 N CYS A 131 -0.498 -2.691 8.569 1.00 0.00 N ATOM 823 CA CYS A 131 -0.675 -3.428 7.306 1.00 0.00 C ATOM 824 C CYS A 131 -0.181 -4.869 7.560 1.00 0.00 C ATOM 825 O CYS A 131 -0.416 -5.389 8.651 1.00 0.00 O ATOM 826 CB CYS A 131 0.143 -2.705 6.242 1.00 0.00 C ATOM 827 SG CYS A 131 -0.252 -0.921 6.122 1.00 0.00 S ATOM 0 H CYS A 131 0.473 -2.609 8.871 1.00 0.00 H new ATOM 0 HA CYS A 131 -1.709 -3.472 6.963 1.00 0.00 H new ATOM 0 HB2 CYS A 131 1.203 -2.822 6.466 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -0.033 -3.176 5.275 1.00 0.00 H new ATOM 0 HG CYS A 131 -0.059 -0.515 4.902 1.00 0.00 H new ATOM 828 N LYS A 132 0.477 -5.472 6.568 1.00 0.00 N ATOM 829 CA LYS A 132 1.220 -6.736 6.673 1.00 0.00 C ATOM 830 C LYS A 132 0.353 -7.993 6.830 1.00 0.00 C ATOM 831 O LYS A 132 -0.282 -8.239 7.848 1.00 0.00 O ATOM 832 CB LYS A 132 2.306 -6.711 7.761 1.00 0.00 C ATOM 833 CG LYS A 132 3.310 -5.575 7.533 1.00 0.00 C ATOM 834 CD LYS A 132 3.996 -5.177 8.833 1.00 0.00 C ATOM 835 CE LYS A 132 3.008 -4.503 9.787 1.00 0.00 C ATOM 836 NZ LYS A 132 3.640 -4.439 11.118 1.00 0.00 N ATOM 0 H LYS A 132 0.510 -5.078 5.628 1.00 0.00 H new ATOM 0 HA LYS A 132 1.701 -6.812 5.698 1.00 0.00 H new ATOM 0 HB2 LYS A 132 1.839 -6.593 8.739 1.00 0.00 H new ATOM 0 HB3 LYS A 132 2.832 -7.665 7.772 1.00 0.00 H new ATOM 0 HG2 LYS A 132 4.058 -5.888 6.805 1.00 0.00 H new ATOM 0 HG3 LYS A 132 2.796 -4.711 7.111 1.00 0.00 H new ATOM 0 HD2 LYS A 132 4.423 -6.060 9.309 1.00 0.00 H new ATOM 0 HD3 LYS A 132 4.822 -4.499 8.620 1.00 0.00 H new ATOM 0 HE2 LYS A 132 2.758 -3.502 9.434 1.00 0.00 H new ATOM 0 HE3 LYS A 132 2.076 -5.067 9.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 3.136 -5.071 11.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 4.634 -4.738 11.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 3.597 -3.464 11.476 1.00 0.00 H new ATOM 837 N ARG A 133 0.292 -8.679 5.687 1.00 0.00 N ATOM 838 CA ARG A 133 -0.578 -9.856 5.480 1.00 0.00 C ATOM 839 C ARG A 133 -0.237 -10.753 4.278 1.00 0.00 C ATOM 840 O ARG A 133 0.381 -11.794 4.486 1.00 0.00 O ATOM 841 CB ARG A 133 -2.082 -9.489 5.511 1.00 0.00 C ATOM 842 CG ARG A 133 -2.518 -8.488 4.436 1.00 0.00 C ATOM 843 CD ARG A 133 -2.179 -7.021 4.708 1.00 0.00 C ATOM 844 NE ARG A 133 -1.943 -6.433 3.375 1.00 0.00 N ATOM 845 CZ ARG A 133 -0.761 -6.360 2.745 1.00 0.00 C ATOM 846 NH1 ARG A 133 0.348 -6.812 3.302 1.00 0.00 N ATOM 847 NH2 ARG A 133 -0.708 -6.130 1.446 1.00 0.00 N ATOM 0 H ARG A 133 0.847 -8.437 4.866 1.00 0.00 H new ATOM 0 HA ARG A 133 -0.354 -10.482 6.344 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -2.667 -10.401 5.398 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -2.321 -9.076 6.491 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -2.059 -8.777 3.491 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -3.597 -8.573 4.305 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -2.996 -6.516 5.224 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -1.297 -6.930 5.342 1.00 0.00 H new ATOM 0 HE ARG A 133 -2.752 -6.047 2.889 1.00 0.00 H new ATOM 0 HH11 ARG A 133 0.318 -7.229 4.233 1.00 0.00 H new ATOM 0 HH12 ARG A 133 1.234 -6.745 2.802 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -1.570 -6.006 0.914 1.00 0.00 H new ATOM 0 HH22 ARG A 133 0.195 -6.076 0.974 1.00 0.00 H new ATOM 848 N GLY A 134 -0.523 -10.296 3.054 1.00 0.00 N ATOM 849 CA GLY A 134 -0.240 -11.025 1.798 1.00 0.00 C ATOM 850 C GLY A 134 -1.347 -11.992 1.317 1.00 0.00 C ATOM 851 O GLY A 134 -2.260 -11.531 0.636 1.00 0.00 O ATOM 0 H GLY A 134 -0.967 -9.391 2.898 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -0.054 -10.295 1.010 1.00 0.00 H new ATOM 0 HA3 GLY A 134 0.681 -11.593 1.929 1.00 0.00 H new ATOM 852 N PRO A 135 -1.229 -13.312 1.593 1.00 0.00 N ATOM 853 CA PRO A 135 -2.167 -14.322 1.057 1.00 0.00 C ATOM 854 C PRO A 135 -3.494 -14.338 1.832 1.00 0.00 C ATOM 855 O PRO A 135 -3.796 -15.212 2.639 1.00 0.00 O ATOM 856 CB PRO A 135 -1.352 -15.613 1.114 1.00 0.00 C ATOM 857 CG PRO A 135 -0.527 -15.455 2.381 1.00 0.00 C ATOM 858 CD PRO A 135 -0.165 -13.965 2.375 1.00 0.00 C ATOM 0 HA PRO A 135 -2.509 -14.128 0.040 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -1.995 -16.492 1.160 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -0.719 -15.727 0.234 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -1.096 -15.728 3.270 1.00 0.00 H new ATOM 0 HG3 PRO A 135 0.362 -16.086 2.365 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -0.120 -13.567 3.389 1.00 0.00 H new ATOM 0 HD3 PRO A 135 0.813 -13.799 1.924 1.00 0.00 H new ATOM 859 N ARG A 136 -4.251 -13.289 1.525 1.00 0.00 N ATOM 860 CA ARG A 136 -5.513 -12.889 2.163 1.00 0.00 C ATOM 861 C ARG A 136 -6.064 -11.649 1.424 1.00 0.00 C ATOM 862 O ARG A 136 -7.214 -11.634 0.972 1.00 0.00 O ATOM 863 CB ARG A 136 -5.229 -12.515 3.621 1.00 0.00 C ATOM 864 CG ARG A 136 -6.495 -12.319 4.449 1.00 0.00 C ATOM 865 CD ARG A 136 -6.100 -11.764 5.818 1.00 0.00 C ATOM 866 NE ARG A 136 -7.317 -11.561 6.613 1.00 0.00 N ATOM 867 CZ ARG A 136 -8.066 -10.456 6.648 1.00 0.00 C ATOM 868 NH1 ARG A 136 -7.732 -9.351 5.991 1.00 0.00 N ATOM 869 NH2 ARG A 136 -9.128 -10.396 7.430 1.00 0.00 N ATOM 0 H ARG A 136 -3.987 -12.650 0.775 1.00 0.00 H new ATOM 0 HA ARG A 136 -6.236 -13.704 2.122 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -4.621 -13.296 4.078 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -4.641 -11.598 3.646 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -7.175 -11.633 3.944 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -7.023 -13.266 4.562 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -5.428 -12.455 6.326 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -5.562 -10.823 5.703 1.00 0.00 H new ATOM 0 HE ARG A 136 -7.621 -12.341 7.196 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -6.877 -9.327 5.435 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -8.330 -8.527 6.042 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -9.379 -11.196 8.011 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -9.697 -9.550 7.453 1.00 0.00 H new ATOM 870 N THR A 137 -5.180 -10.660 1.257 1.00 0.00 N ATOM 871 CA THR A 137 -5.457 -9.401 0.550 1.00 0.00 C ATOM 872 C THR A 137 -5.572 -9.518 -0.973 1.00 0.00 C ATOM 873 O THR A 137 -4.596 -9.431 -1.725 1.00 0.00 O ATOM 874 CB THR A 137 -4.445 -8.317 0.919 1.00 0.00 C ATOM 875 OG1 THR A 137 -3.126 -8.861 1.022 1.00 0.00 O ATOM 876 CG2 THR A 137 -4.944 -7.545 2.136 1.00 0.00 C ATOM 0 H THR A 137 -4.227 -10.712 1.618 1.00 0.00 H new ATOM 0 HA THR A 137 -6.450 -9.115 0.898 1.00 0.00 H new ATOM 0 HB THR A 137 -4.360 -7.578 0.123 1.00 0.00 H new ATOM 0 HG1 THR A 137 -2.514 -8.344 0.458 1.00 0.00 H new ATOM 0 HG21 THR A 137 -4.221 -6.772 2.398 1.00 0.00 H new ATOM 0 HG22 THR A 137 -5.903 -7.081 1.905 1.00 0.00 H new ATOM 0 HG23 THR A 137 -5.065 -8.229 2.976 1.00 0.00 H new ATOM 877 N HIS A 138 -6.816 -9.770 -1.343 1.00 0.00 N ATOM 878 CA HIS A 138 -7.299 -9.784 -2.733 1.00 0.00 C ATOM 879 C HIS A 138 -8.594 -8.977 -2.887 1.00 0.00 C ATOM 880 O HIS A 138 -9.202 -8.539 -1.910 1.00 0.00 O ATOM 881 CB HIS A 138 -7.476 -11.222 -3.248 1.00 0.00 C ATOM 882 CG HIS A 138 -8.487 -12.044 -2.447 1.00 0.00 C ATOM 883 ND1 HIS A 138 -9.780 -11.768 -2.261 1.00 0.00 N ATOM 884 CD2 HIS A 138 -8.192 -13.120 -1.725 1.00 0.00 C ATOM 885 CE1 HIS A 138 -10.278 -12.651 -1.404 1.00 0.00 C ATOM 886 NE2 HIS A 138 -9.298 -13.487 -1.083 1.00 0.00 N ATOM 0 H HIS A 138 -7.551 -9.979 -0.668 1.00 0.00 H new ATOM 0 HA HIS A 138 -6.538 -9.302 -3.347 1.00 0.00 H new ATOM 0 HB2 HIS A 138 -7.793 -11.188 -4.290 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -6.511 -11.728 -3.225 1.00 0.00 H new ATOM 0 HD1 HIS A 138 -10.297 -11.008 -2.702 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -7.230 -13.608 -1.670 1.00 0.00 H new ATOM 0 HE1 HIS A 138 -11.293 -12.683 -1.036 1.00 0.00 H new ATOM 887 N TYR A 139 -8.883 -8.632 -4.134 1.00 0.00 N ATOM 888 CA TYR A 139 -10.197 -8.106 -4.563 1.00 0.00 C ATOM 889 C TYR A 139 -11.390 -8.768 -3.847 1.00 0.00 C ATOM 890 O TYR A 139 -11.504 -9.993 -3.848 1.00 0.00 O ATOM 891 CB TYR A 139 -10.380 -8.281 -6.075 1.00 0.00 C ATOM 892 CG TYR A 139 -10.013 -7.069 -6.945 1.00 0.00 C ATOM 893 CD1 TYR A 139 -10.034 -5.753 -6.428 1.00 0.00 C ATOM 894 CD2 TYR A 139 -9.715 -7.318 -8.303 1.00 0.00 C ATOM 895 CE1 TYR A 139 -9.743 -4.673 -7.281 1.00 0.00 C ATOM 896 CE2 TYR A 139 -9.420 -6.236 -9.148 1.00 0.00 C ATOM 897 CZ TYR A 139 -9.418 -4.925 -8.631 1.00 0.00 C ATOM 898 OH TYR A 139 -9.014 -3.906 -9.437 1.00 0.00 O ATOM 0 H TYR A 139 -8.210 -8.706 -4.897 1.00 0.00 H new ATOM 0 HA TYR A 139 -10.191 -7.050 -4.291 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -9.777 -9.130 -6.398 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -11.422 -8.538 -6.267 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -10.271 -5.579 -5.389 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -9.714 -8.328 -8.687 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -9.768 -3.660 -6.906 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -9.195 -6.408 -10.190 1.00 0.00 H new ATOM 0 HH TYR A 139 -9.005 -3.069 -8.927 1.00 0.00 H new ATOM 899 N GLY A 140 -12.029 -7.953 -3.021 1.00 0.00 N ATOM 900 CA GLY A 140 -13.180 -8.363 -2.204 1.00 0.00 C ATOM 901 C GLY A 140 -12.974 -7.949 -0.746 1.00 0.00 C ATOM 902 O GLY A 140 -13.873 -7.384 -0.129 1.00 0.00 O ATOM 0 H GLY A 140 -11.766 -6.976 -2.892 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -14.091 -7.907 -2.593 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -13.312 -9.443 -2.267 1.00 0.00 H new ATOM 903 N GLN A 141 -11.729 -8.090 -0.276 1.00 0.00 N ATOM 904 CA GLN A 141 -11.319 -7.537 1.024 1.00 0.00 C ATOM 905 C GLN A 141 -11.290 -6.024 0.923 1.00 0.00 C ATOM 906 O GLN A 141 -10.580 -5.414 0.120 1.00 0.00 O ATOM 907 CB GLN A 141 -9.898 -7.940 1.384 1.00 0.00 C ATOM 908 CG GLN A 141 -9.664 -9.440 1.549 1.00 0.00 C ATOM 909 CD GLN A 141 -8.797 -9.663 2.791 1.00 0.00 C ATOM 910 OE1 GLN A 141 -7.707 -9.136 2.948 1.00 0.00 O ATOM 911 NE2 GLN A 141 -9.332 -10.358 3.769 1.00 0.00 N ATOM 0 H GLN A 141 -10.987 -8.582 -0.775 1.00 0.00 H new ATOM 0 HA GLN A 141 -12.023 -7.909 1.768 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -9.226 -7.568 0.611 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -9.622 -7.442 2.313 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -10.615 -9.963 1.652 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -9.171 -9.846 0.665 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -10.242 -10.800 3.642 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -8.837 -10.456 4.655 1.00 0.00 H new ATOM 912 N LYS A 142 -12.031 -5.471 1.861 1.00 0.00 N ATOM 913 CA LYS A 142 -12.020 -4.032 2.173 1.00 0.00 C ATOM 914 C LYS A 142 -10.597 -3.503 2.454 1.00 0.00 C ATOM 915 O LYS A 142 -10.259 -2.410 2.017 1.00 0.00 O ATOM 916 CB LYS A 142 -12.913 -3.843 3.393 1.00 0.00 C ATOM 917 CG LYS A 142 -14.341 -4.257 3.019 1.00 0.00 C ATOM 918 CD LYS A 142 -15.238 -4.188 4.243 1.00 0.00 C ATOM 919 CE LYS A 142 -16.668 -4.572 3.885 1.00 0.00 C ATOM 920 NZ LYS A 142 -17.457 -4.513 5.119 1.00 0.00 N ATOM 0 H LYS A 142 -12.673 -6.006 2.445 1.00 0.00 H new ATOM 0 HA LYS A 142 -12.385 -3.465 1.317 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -12.550 -4.446 4.225 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -12.893 -2.803 3.720 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -14.726 -3.601 2.238 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -14.341 -5.269 2.614 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -14.859 -4.857 5.016 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -15.220 -3.180 4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -17.073 -3.891 3.137 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -16.701 -5.573 3.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -18.443 -4.770 4.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -17.064 -5.179 5.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -17.424 -3.548 5.506 1.00 0.00 H new ATOM 921 N ALA A 143 -9.749 -4.402 2.961 1.00 0.00 N ATOM 922 CA ALA A 143 -8.324 -4.148 3.231 1.00 0.00 C ATOM 923 C ALA A 143 -7.571 -3.474 2.076 1.00 0.00 C ATOM 924 O ALA A 143 -6.855 -2.507 2.311 1.00 0.00 O ATOM 925 CB ALA A 143 -7.615 -5.441 3.645 1.00 0.00 C ATOM 0 H ALA A 143 -10.037 -5.350 3.202 1.00 0.00 H new ATOM 0 HA ALA A 143 -8.306 -3.434 4.054 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -6.563 -5.233 3.840 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -8.080 -5.838 4.547 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -7.697 -6.174 2.842 1.00 0.00 H new ATOM 926 N ILE A 144 -7.934 -3.837 0.845 1.00 0.00 N ATOM 927 CA ILE A 144 -7.213 -3.345 -0.353 1.00 0.00 C ATOM 928 C ILE A 144 -7.754 -2.036 -0.962 1.00 0.00 C ATOM 929 O ILE A 144 -7.145 -1.493 -1.889 1.00 0.00 O ATOM 930 CB ILE A 144 -7.063 -4.470 -1.413 1.00 0.00 C ATOM 931 CG1 ILE A 144 -8.371 -4.821 -2.126 1.00 0.00 C ATOM 932 CG2 ILE A 144 -6.355 -5.673 -0.783 1.00 0.00 C ATOM 933 CD1 ILE A 144 -8.070 -5.519 -3.452 1.00 0.00 C ATOM 0 H ILE A 144 -8.713 -4.463 0.641 1.00 0.00 H new ATOM 0 HA ILE A 144 -6.222 -3.068 0.007 1.00 0.00 H new ATOM 0 HB ILE A 144 -6.434 -4.096 -2.221 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -8.977 -5.469 -1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -8.952 -3.916 -2.305 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -6.249 -6.463 -1.526 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -5.368 -5.371 -0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -6.943 -6.042 0.058 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -9.006 -5.766 -3.954 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -7.482 -4.856 -4.087 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -7.508 -6.433 -3.262 1.00 0.00 H new ATOM 934 N LEU A 145 -8.713 -1.389 -0.297 1.00 0.00 N ATOM 935 CA LEU A 145 -9.441 -0.226 -0.830 1.00 0.00 C ATOM 936 C LEU A 145 -8.930 1.163 -0.372 1.00 0.00 C ATOM 937 O LEU A 145 -9.486 1.799 0.523 1.00 0.00 O ATOM 938 CB LEU A 145 -10.938 -0.397 -0.521 1.00 0.00 C ATOM 939 CG LEU A 145 -11.732 -1.193 -1.567 1.00 0.00 C ATOM 940 CD1 LEU A 145 -11.323 -2.665 -1.665 1.00 0.00 C ATOM 941 CD2 LEU A 145 -13.213 -1.126 -1.199 1.00 0.00 C ATOM 0 H LEU A 145 -9.013 -1.658 0.640 1.00 0.00 H new ATOM 0 HA LEU A 145 -9.255 -0.220 -1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -11.040 -0.893 0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -11.388 0.591 -0.421 1.00 0.00 H new ATOM 0 HG LEU A 145 -11.523 -0.742 -2.537 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -11.928 -3.161 -2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -10.270 -2.733 -1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -11.480 -3.151 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -13.795 -1.686 -1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -13.362 -1.558 -0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -13.540 -0.086 -1.194 1.00 0.00 H new ATOM 942 N PHE A 146 -7.828 1.591 -0.981 1.00 0.00 N ATOM 943 CA PHE A 146 -7.244 2.942 -0.738 1.00 0.00 C ATOM 944 C PHE A 146 -7.835 4.083 -1.566 1.00 0.00 C ATOM 945 O PHE A 146 -8.239 3.906 -2.710 1.00 0.00 O ATOM 946 CB PHE A 146 -5.730 2.949 -1.004 1.00 0.00 C ATOM 947 CG PHE A 146 -5.003 1.747 -0.410 1.00 0.00 C ATOM 948 CD1 PHE A 146 -5.137 1.470 0.966 1.00 0.00 C ATOM 949 CD2 PHE A 146 -4.609 0.737 -1.317 1.00 0.00 C ATOM 950 CE1 PHE A 146 -4.962 0.150 1.439 1.00 0.00 C ATOM 951 CE2 PHE A 146 -4.438 -0.577 -0.856 1.00 0.00 C ATOM 952 CZ PHE A 146 -4.622 -0.855 0.516 1.00 0.00 C ATOM 0 H PHE A 146 -7.305 1.030 -1.654 1.00 0.00 H new ATOM 0 HA PHE A 146 -7.490 3.126 0.308 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -5.558 2.972 -2.080 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -5.301 3.863 -0.593 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -5.373 2.265 1.657 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -4.441 0.975 -2.357 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -5.087 -0.082 2.486 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -4.169 -1.366 -1.542 1.00 0.00 H new ATOM 0 HZ PHE A 146 -4.498 -1.869 0.867 1.00 0.00 H new ATOM 953 N LEU A 147 -7.855 5.266 -0.946 1.00 0.00 N ATOM 954 CA LEU A 147 -8.280 6.498 -1.639 1.00 0.00 C ATOM 955 C LEU A 147 -7.216 7.602 -1.710 1.00 0.00 C ATOM 956 O LEU A 147 -6.699 8.046 -0.686 1.00 0.00 O ATOM 957 CB LEU A 147 -9.525 7.096 -1.002 1.00 0.00 C ATOM 958 CG LEU A 147 -10.709 6.189 -1.272 1.00 0.00 C ATOM 959 CD1 LEU A 147 -11.777 6.556 -0.268 1.00 0.00 C ATOM 960 CD2 LEU A 147 -11.251 6.295 -2.701 1.00 0.00 C ATOM 0 H LEU A 147 -7.585 5.403 0.028 1.00 0.00 H new ATOM 0 HA LEU A 147 -8.477 6.162 -2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -9.378 7.212 0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -9.714 8.090 -1.407 1.00 0.00 H new ATOM 0 HG LEU A 147 -10.391 5.152 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -12.654 5.927 -0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -11.395 6.404 0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -12.054 7.602 -0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -12.097 5.618 -2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -11.575 7.318 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -10.467 6.025 -3.408 1.00 0.00 H new ATOM 961 N PRO A 148 -6.787 7.877 -2.940 1.00 0.00 N ATOM 962 CA PRO A 148 -6.161 9.169 -3.313 1.00 0.00 C ATOM 963 C PRO A 148 -7.253 10.252 -3.449 1.00 0.00 C ATOM 964 O PRO A 148 -7.041 11.389 -3.030 1.00 0.00 O ATOM 965 CB PRO A 148 -5.476 8.891 -4.657 1.00 0.00 C ATOM 966 CG PRO A 148 -5.242 7.381 -4.635 1.00 0.00 C ATOM 967 CD PRO A 148 -6.522 6.857 -3.958 1.00 0.00 C ATOM 0 HA PRO A 148 -5.451 9.534 -2.571 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -6.105 9.187 -5.496 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -4.539 9.441 -4.751 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -5.118 6.975 -5.639 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -4.347 7.117 -4.071 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -7.346 6.767 -4.665 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -6.372 5.872 -3.515 1.00 0.00 H new ATOM 968 N LEU A 149 -8.413 9.874 -3.976 1.00 0.00 N ATOM 969 CA LEU A 149 -9.585 10.782 -4.116 1.00 0.00 C ATOM 970 C LEU A 149 -10.656 10.478 -3.054 1.00 0.00 C ATOM 971 O LEU A 149 -11.068 9.319 -2.941 1.00 0.00 O ATOM 972 CB LEU A 149 -10.230 10.679 -5.512 1.00 0.00 C ATOM 973 CG LEU A 149 -9.479 11.369 -6.658 1.00 0.00 C ATOM 974 CD1 LEU A 149 -9.203 12.844 -6.351 1.00 0.00 C ATOM 975 CD2 LEU A 149 -8.197 10.626 -7.053 1.00 0.00 C ATOM 0 H LEU A 149 -8.584 8.931 -4.324 1.00 0.00 H new ATOM 0 HA LEU A 149 -9.206 11.794 -3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -10.340 9.624 -5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -11.234 11.100 -5.458 1.00 0.00 H new ATOM 0 HG LEU A 149 -10.140 11.333 -7.524 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -8.670 13.296 -7.187 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -10.147 13.367 -6.198 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -8.595 12.920 -5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -7.705 11.157 -7.868 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -7.526 10.576 -6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -8.447 9.616 -7.377 1.00 0.00 H new ATOM 976 N PRO A 150 -11.164 11.499 -2.349 1.00 0.00 N ATOM 977 CA PRO A 150 -12.194 11.309 -1.312 1.00 0.00 C ATOM 978 C PRO A 150 -13.635 11.116 -1.823 1.00 0.00 C ATOM 979 O PRO A 150 -14.593 11.541 -1.174 1.00 0.00 O ATOM 980 CB PRO A 150 -12.025 12.534 -0.408 1.00 0.00 C ATOM 981 CG PRO A 150 -11.552 13.625 -1.365 1.00 0.00 C ATOM 982 CD PRO A 150 -10.638 12.881 -2.336 1.00 0.00 C ATOM 0 HA PRO A 150 -12.046 10.364 -0.789 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -12.962 12.806 0.078 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -11.297 12.351 0.383 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -12.389 14.095 -1.882 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -11.018 14.416 -0.838 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -10.667 13.327 -3.330 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -9.600 12.908 -2.005 1.00 0.00 H new ATOM 983 N VAL A 151 -13.773 10.259 -2.840 1.00 0.00 N ATOM 984 CA VAL A 151 -15.007 9.889 -3.580 1.00 0.00 C ATOM 985 C VAL A 151 -15.928 11.101 -3.911 1.00 0.00 C ATOM 986 O VAL A 151 -15.781 11.720 -4.955 1.00 0.00 O ATOM 987 CB VAL A 151 -15.777 8.726 -2.904 1.00 0.00 C ATOM 988 CG1 VAL A 151 -16.984 8.266 -3.729 1.00 0.00 C ATOM 989 CG2 VAL A 151 -14.880 7.501 -2.687 1.00 0.00 C ATOM 0 H VAL A 151 -12.963 9.759 -3.205 1.00 0.00 H new ATOM 0 HA VAL A 151 -14.663 9.519 -4.546 1.00 0.00 H new ATOM 0 HB VAL A 151 -16.115 9.126 -1.948 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -17.489 7.450 -3.212 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -17.676 9.098 -3.856 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -16.647 7.922 -4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -15.456 6.708 -2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -14.505 7.150 -3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -14.041 7.773 -2.047 1.00 0.00 H new ATOM 990 N SER A 152 -16.769 11.439 -2.928 1.00 0.00 N ATOM 991 CA SER A 152 -17.789 12.504 -2.921 1.00 0.00 C ATOM 992 C SER A 152 -18.201 13.023 -4.318 1.00 0.00 C ATOM 993 O SER A 152 -18.744 12.276 -5.132 1.00 0.00 O ATOM 994 CB SER A 152 -17.239 13.572 -1.945 1.00 0.00 C ATOM 995 OG SER A 152 -18.059 14.729 -1.883 1.00 0.00 O ATOM 0 H SER A 152 -16.756 10.935 -2.041 1.00 0.00 H new ATOM 0 HA SER A 152 -18.753 12.129 -2.578 1.00 0.00 H new ATOM 0 HB2 SER A 152 -17.153 13.138 -0.949 1.00 0.00 H new ATOM 0 HB3 SER A 152 -16.234 13.859 -2.255 1.00 0.00 H new ATOM 0 HG SER A 152 -17.671 15.372 -1.253 1.00 0.00 H new ATOM 996 N SER A 153 -17.877 14.285 -4.592 1.00 0.00 N ATOM 997 CA SER A 153 -18.135 14.984 -5.862 1.00 0.00 C ATOM 998 C SER A 153 -16.787 15.345 -6.492 1.00 0.00 C ATOM 999 O SER A 153 -16.423 16.510 -6.664 1.00 0.00 O ATOM 1000 CB SER A 153 -18.991 16.221 -5.548 1.00 0.00 C ATOM 1001 OG SER A 153 -19.216 16.970 -6.744 1.00 0.00 O ATOM 0 H SER A 153 -17.407 14.879 -3.909 1.00 0.00 H new ATOM 0 HA SER A 153 -18.679 14.367 -6.577 1.00 0.00 H new ATOM 0 HB2 SER A 153 -19.943 15.915 -5.115 1.00 0.00 H new ATOM 0 HB3 SER A 153 -18.489 16.843 -4.807 1.00 0.00 H new ATOM 0 HG SER A 153 -18.356 17.243 -7.126 1.00 0.00 H new ATOM 1002 N ASP A 154 -16.036 14.293 -6.777 1.00 0.00 N ATOM 1003 CA ASP A 154 -14.663 14.407 -7.319 1.00 0.00 C ATOM 1004 C ASP A 154 -14.542 13.918 -8.772 1.00 0.00 C ATOM 1005 O ASP A 154 -15.155 12.875 -9.071 1.00 0.00 O ATOM 1006 CB ASP A 154 -13.671 13.664 -6.403 1.00 0.00 C ATOM 1007 CG ASP A 154 -13.481 14.307 -5.021 1.00 0.00 C ATOM 1008 OD1 ASP A 154 -14.489 14.675 -4.371 1.00 0.00 O ATOM 1009 OD2 ASP A 154 -12.301 14.377 -4.614 1.00 0.00 O ATOM 1010 OXT ASP A 154 -13.747 14.539 -9.509 1.00 0.00 O ATOM 0 H ASP A 154 -16.347 13.331 -6.644 1.00 0.00 H new ATOM 0 HA ASP A 154 -14.415 15.468 -7.338 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -14.017 12.639 -6.269 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -12.703 13.612 -6.902 1.00 0.00 H new TER 1011 ASP A 154