USER MOD reduce.3.24.130724 H: found=0, std=0, add=1554, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1558 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: B 62 SER OG : rot -83:sc= 1.29 USER MOD Set 1.2: B 69 THR OG1 : rot -66:sc= -0.177 USER MOD Set 2.1: A 121 CYS SG : rot 46:sc= 1.05 USER MOD Set 2.2: A 125 ASN : amide:sc= 1.81 K(o=2.9,f=-3.4!) USER MOD Set 3.1: A 88 CYS SG : rot -101:sc= -0.615 USER MOD Set 3.2: A 90 SER OG : rot 180:sc= 0.0568 USER MOD Set 4.1: A 48 TYR OH : rot 94:sc= 0.408 USER MOD Set 4.2: A 60 CYS SG : rot -84:sc= 1.52 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -126:sc= 2.38 (180deg=-1.13) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -44:sc= 0.2 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -160:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0271 K(o=-0.027,f=-1.1!) USER MOD Single : A 51 GLN : amide:sc= -0.0154 K(o=-0.015,f=-0.85) USER MOD Single : A 52 THR OG1 : rot 66:sc= 0.744 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= 0.933 K(o=0.99,f=-4.1!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 77:sc= 1.31 USER MOD Single : A 66 SER OG : rot -86:sc= 1.26 USER MOD Single : A 68 ASN : amide:sc=-0.00943 K(o=-0.0094,f=-1) USER MOD Single : A 80 CYS SG : rot 14:sc= -2.95! USER MOD Single : A 83 LYS NZ :NH3+ -153:sc= 1.23 (180deg=1.08) USER MOD Single : A 87 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.13) USER MOD Single : A 94 TYR OH : rot -130:sc= 0.259 USER MOD Single : A 97 LYS NZ :NH3+ -116:sc= 1.18 (180deg=0.152) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0.0919 USER MOD Single : A 103 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00546) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -1.27! C(o=-1.3!,f=-2.9!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0634 USER MOD Single : A 116 GLN : amide:sc= -0.0188 X(o=-0.019,f=-0.15) USER MOD Single : A 120 HIS : no HE2:sc= 0.621 K(o=0.62,f=-2.6!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= 0.27 K(o=0.27,f=-4.7!) USER MOD Single : A 130 ASN : amide:sc= 0.407 X(o=0.41,f=0) USER MOD Single : B 31 LYS NZ :NH3+ 162:sc= -0.0506 (180deg=-0.321) USER MOD Single : B 34 LYS NZ :NH3+ -116:sc= 0.539 (180deg=-0.597) USER MOD Single : B 36 THR OG1 : rot -82:sc= 0.907 USER MOD Single : B 38 LYS NZ :NH3+ 165:sc= 1.89 (180deg=1.52) USER MOD Single : B 39 THR OG1 : rot 3:sc= 0.887 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 ASN : amide:sc= -1.46! C(o=-1.5!,f=-7.3!) USER MOD Single : B 52 SER OG : rot -148:sc= -2.68! USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 55 GLN : amide:sc= -0.113 K(o=-0.11,f=-1.3!) USER MOD Single : B 56 GLN : amide:sc= -0.0026 X(o=-0.0026,f=0) USER MOD Single : B 58 LYS NZ :NH3+ 144:sc= 0.331 (180deg=0.0194) USER MOD Single : B 63 LYS NZ :NH3+ 171:sc=-0.00364 (180deg=-0.0735) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 SER OG : rot 180:sc= -0.0496 USER MOD Single : B 68 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 79 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.156) USER MOD Single : B 82 LYS NZ :NH3+ 154:sc= 0.0218 (180deg=0) USER MOD Single : B 84 GLN : amide:sc= -0.455 X(o=-0.46,f=-0.32) USER MOD Single : B 86 THR OG1 : rot 180:sc= 0 USER MOD Single : B 89 GLN : amide:sc= 0.155 X(o=0.15,f=-0.11) USER MOD Single : B 90 HIS : no HD1:sc= -0.0169 X(o=-0.017,f=-0.0058) USER MOD Single : B 93 HIS : no HD1:sc=-0.00219 X(o=-0.0022,f=0) USER MOD Single : B 97 THR OG1 : rot 180:sc= 0 USER MOD Single : B 99 HIS : no HE2:sc= -0.345 K(o=1.2,f=-8.1!) USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0.961 (180deg=0.961) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 -12.023 21.854 8.297 1.00 0.79 N ATOM 2 CA LYS A 21 -13.099 20.848 8.153 1.00 0.63 C ATOM 3 C LYS A 21 -12.552 19.590 7.493 1.00 0.53 C ATOM 4 O LYS A 21 -11.376 19.532 7.130 1.00 0.61 O ATOM 5 CB LYS A 21 -14.251 21.413 7.312 1.00 0.62 C ATOM 6 CG LYS A 21 -13.913 21.551 5.833 1.00 0.66 C ATOM 7 CD LYS A 21 -15.135 21.896 5.001 1.00 0.77 C ATOM 8 CE LYS A 21 -15.466 23.375 5.085 1.00 0.90 C ATOM 9 NZ LYS A 21 -16.641 23.728 4.250 1.00 1.10 N ATOM 0 HA LYS A 21 -13.475 20.599 9.145 1.00 0.63 H new ATOM 0 HB2 LYS A 21 -15.120 20.764 7.419 1.00 0.62 H new ATOM 0 HB3 LYS A 21 -14.532 22.390 7.705 1.00 0.62 H new ATOM 0 HG2 LYS A 21 -13.156 22.325 5.705 1.00 0.66 H new ATOM 0 HG3 LYS A 21 -13.480 20.619 5.471 1.00 0.66 H new ATOM 0 HD2 LYS A 21 -14.958 21.620 3.961 1.00 0.77 H new ATOM 0 HD3 LYS A 21 -15.988 21.311 5.345 1.00 0.77 H new ATOM 0 HE2 LYS A 21 -15.664 23.644 6.122 1.00 0.90 H new ATOM 0 HE3 LYS A 21 -14.604 23.959 4.763 1.00 0.90 H new ATOM 0 HZ1 LYS A 21 -16.834 24.746 4.335 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 -16.443 23.495 3.256 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 -17.471 23.190 4.573 1.00 1.10 H new ATOM 23 N TYR A 22 -13.402 18.585 7.342 1.00 0.49 N ATOM 24 CA TYR A 22 -12.997 17.343 6.713 1.00 0.49 C ATOM 25 C TYR A 22 -13.488 17.325 5.275 1.00 0.47 C ATOM 26 O TYR A 22 -14.375 18.095 4.905 1.00 0.57 O ATOM 27 CB TYR A 22 -13.565 16.136 7.470 1.00 0.56 C ATOM 28 CG TYR A 22 -13.504 16.259 8.977 1.00 0.55 C ATOM 29 CD1 TYR A 22 -12.339 16.662 9.627 1.00 0.56 C ATOM 30 CD2 TYR A 22 -14.615 15.960 9.755 1.00 0.61 C ATOM 31 CE1 TYR A 22 -12.291 16.762 11.003 1.00 0.60 C ATOM 32 CE2 TYR A 22 -14.571 16.062 11.130 1.00 0.67 C ATOM 33 CZ TYR A 22 -13.409 16.462 11.746 1.00 0.65 C ATOM 34 OH TYR A 22 -13.368 16.557 13.116 1.00 0.75 O ATOM 0 H TYR A 22 -14.375 18.608 7.647 1.00 0.49 H new ATOM 0 HA TYR A 22 -11.909 17.278 6.734 1.00 0.49 H new ATOM 0 HB2 TYR A 22 -14.603 15.991 7.171 1.00 0.56 H new ATOM 0 HB3 TYR A 22 -13.018 15.243 7.168 1.00 0.56 H new ATOM 0 HD1 TYR A 22 -11.461 16.900 9.045 1.00 0.56 H new ATOM 0 HD2 TYR A 22 -15.529 15.642 9.275 1.00 0.61 H new ATOM 0 HE1 TYR A 22 -11.381 17.074 11.493 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -15.445 15.829 11.720 1.00 0.67 H new ATOM 0 HH TYR A 22 -14.241 16.311 13.487 1.00 0.75 H new ATOM 44 N LEU A 23 -12.906 16.463 4.463 1.00 0.41 N ATOM 45 CA LEU A 23 -13.306 16.348 3.069 1.00 0.43 C ATOM 46 C LEU A 23 -14.566 15.498 2.973 1.00 0.43 C ATOM 47 O LEU A 23 -15.562 15.903 2.368 1.00 0.52 O ATOM 48 CB LEU A 23 -12.175 15.732 2.245 1.00 0.45 C ATOM 49 CG LEU A 23 -10.837 16.473 2.336 1.00 0.54 C ATOM 50 CD1 LEU A 23 -9.714 15.624 1.762 1.00 0.64 C ATOM 51 CD2 LEU A 23 -10.916 17.812 1.614 1.00 0.70 C ATOM 0 H LEU A 23 -12.155 15.832 4.742 1.00 0.41 H new ATOM 0 HA LEU A 23 -13.517 17.340 2.668 1.00 0.43 H new ATOM 0 HB2 LEU A 23 -12.027 14.702 2.570 1.00 0.45 H new ATOM 0 HB3 LEU A 23 -12.484 15.695 1.200 1.00 0.45 H new ATOM 0 HG LEU A 23 -10.622 16.661 3.388 1.00 0.54 H new ATOM 0 HD11 LEU A 23 -8.772 16.168 1.836 1.00 0.64 H new ATOM 0 HD12 LEU A 23 -9.640 14.692 2.322 1.00 0.64 H new ATOM 0 HD13 LEU A 23 -9.924 15.402 0.716 1.00 0.64 H new ATOM 0 HD21 LEU A 23 -9.956 18.323 1.690 1.00 0.70 H new ATOM 0 HD22 LEU A 23 -11.157 17.646 0.564 1.00 0.70 H new ATOM 0 HD23 LEU A 23 -11.692 18.427 2.071 1.00 0.70 H new ATOM 63 N VAL A 24 -14.514 14.326 3.588 1.00 0.42 N ATOM 64 CA VAL A 24 -15.636 13.400 3.610 1.00 0.46 C ATOM 65 C VAL A 24 -15.737 12.761 4.992 1.00 0.43 C ATOM 66 O VAL A 24 -14.718 12.398 5.584 1.00 0.44 O ATOM 67 CB VAL A 24 -15.495 12.300 2.527 1.00 0.54 C ATOM 68 CG1 VAL A 24 -16.538 11.207 2.709 1.00 0.70 C ATOM 69 CG2 VAL A 24 -15.600 12.903 1.134 1.00 0.76 C ATOM 0 H VAL A 24 -13.690 13.990 4.087 1.00 0.42 H new ATOM 0 HA VAL A 24 -16.544 13.961 3.391 1.00 0.46 H new ATOM 0 HB VAL A 24 -14.510 11.848 2.640 1.00 0.54 H new ATOM 0 HG11 VAL A 24 -16.412 10.451 1.934 1.00 0.70 H new ATOM 0 HG12 VAL A 24 -16.415 10.746 3.689 1.00 0.70 H new ATOM 0 HG13 VAL A 24 -17.536 11.640 2.635 1.00 0.70 H new ATOM 0 HG21 VAL A 24 -15.499 12.115 0.388 1.00 0.76 H new ATOM 0 HG22 VAL A 24 -16.569 13.388 1.020 1.00 0.76 H new ATOM 0 HG23 VAL A 24 -14.807 13.638 0.995 1.00 0.76 H new ATOM 79 N GLU A 25 -16.951 12.660 5.515 1.00 0.45 N ATOM 80 CA GLU A 25 -17.177 12.071 6.828 1.00 0.45 C ATOM 81 C GLU A 25 -18.431 11.201 6.812 1.00 0.47 C ATOM 82 O GLU A 25 -19.431 11.555 6.184 1.00 0.55 O ATOM 83 CB GLU A 25 -17.314 13.171 7.887 1.00 0.49 C ATOM 84 CG GLU A 25 -18.334 14.242 7.525 1.00 0.56 C ATOM 85 CD GLU A 25 -18.664 15.160 8.683 1.00 0.69 C ATOM 86 OE1 GLU A 25 -19.333 14.709 9.642 1.00 0.96 O ATOM 87 OE2 GLU A 25 -18.265 16.344 8.638 1.00 0.95 O ATOM 0 H GLU A 25 -17.799 12.980 5.047 1.00 0.45 H new ATOM 0 HA GLU A 25 -16.320 11.445 7.079 1.00 0.45 H new ATOM 0 HB2 GLU A 25 -17.598 12.717 8.836 1.00 0.49 H new ATOM 0 HB3 GLU A 25 -16.343 13.642 8.037 1.00 0.49 H new ATOM 0 HG2 GLU A 25 -17.950 14.836 6.696 1.00 0.56 H new ATOM 0 HG3 GLU A 25 -19.249 13.762 7.177 1.00 0.56 H new ATOM 94 N PHE A 26 -18.365 10.055 7.473 1.00 0.43 N ATOM 95 CA PHE A 26 -19.501 9.142 7.544 1.00 0.46 C ATOM 96 C PHE A 26 -19.368 8.210 8.742 1.00 0.45 C ATOM 97 O PHE A 26 -18.308 8.137 9.366 1.00 0.44 O ATOM 98 CB PHE A 26 -19.650 8.338 6.245 1.00 0.47 C ATOM 99 CG PHE A 26 -18.397 7.638 5.795 1.00 0.46 C ATOM 100 CD1 PHE A 26 -17.489 8.282 4.968 1.00 0.51 C ATOM 101 CD2 PHE A 26 -18.133 6.337 6.190 1.00 0.48 C ATOM 102 CE1 PHE A 26 -16.342 7.640 4.546 1.00 0.55 C ATOM 103 CE2 PHE A 26 -16.988 5.692 5.770 1.00 0.49 C ATOM 104 CZ PHE A 26 -16.092 6.343 4.946 1.00 0.51 C ATOM 0 H PHE A 26 -17.535 9.732 7.970 1.00 0.43 H new ATOM 0 HA PHE A 26 -20.403 9.740 7.672 1.00 0.46 H new ATOM 0 HB2 PHE A 26 -20.436 7.596 6.381 1.00 0.47 H new ATOM 0 HB3 PHE A 26 -19.980 9.010 5.453 1.00 0.47 H new ATOM 0 HD1 PHE A 26 -17.681 9.296 4.651 1.00 0.51 H new ATOM 0 HD2 PHE A 26 -18.831 5.822 6.834 1.00 0.48 H new ATOM 0 HE1 PHE A 26 -15.641 8.152 3.904 1.00 0.55 H new ATOM 0 HE2 PHE A 26 -16.793 4.678 6.086 1.00 0.49 H new ATOM 0 HZ PHE A 26 -15.197 5.838 4.615 1.00 0.51 H new ATOM 114 N ARG A 27 -20.441 7.496 9.055 1.00 0.47 N ATOM 115 CA ARG A 27 -20.453 6.587 10.190 1.00 0.47 C ATOM 116 C ARG A 27 -20.118 5.166 9.754 1.00 0.45 C ATOM 117 O ARG A 27 -20.817 4.579 8.925 1.00 0.46 O ATOM 118 CB ARG A 27 -21.822 6.608 10.866 1.00 0.51 C ATOM 119 CG ARG A 27 -22.267 7.995 11.304 1.00 0.55 C ATOM 120 CD ARG A 27 -23.779 8.147 11.233 1.00 0.61 C ATOM 121 NE ARG A 27 -24.253 8.266 9.854 1.00 0.62 N ATOM 122 CZ ARG A 27 -25.389 8.871 9.503 1.00 0.73 C ATOM 123 NH1 ARG A 27 -26.166 9.414 10.428 1.00 0.84 N ATOM 124 NH2 ARG A 27 -25.749 8.931 8.226 1.00 0.77 N ATOM 0 H ARG A 27 -21.318 7.530 8.535 1.00 0.47 H new ATOM 0 HA ARG A 27 -19.694 6.920 10.898 1.00 0.47 H new ATOM 0 HB2 ARG A 27 -22.563 6.199 10.179 1.00 0.51 H new ATOM 0 HB3 ARG A 27 -21.798 5.952 11.736 1.00 0.51 H new ATOM 0 HG2 ARG A 27 -21.930 8.181 12.324 1.00 0.55 H new ATOM 0 HG3 ARG A 27 -21.795 8.746 10.670 1.00 0.55 H new ATOM 0 HD2 ARG A 27 -24.253 7.287 11.706 1.00 0.61 H new ATOM 0 HD3 ARG A 27 -24.082 9.029 11.798 1.00 0.61 H new ATOM 0 HE ARG A 27 -23.679 7.861 9.115 1.00 0.62 H new ATOM 0 HH11 ARG A 27 -25.896 9.370 11.411 1.00 0.84 H new ATOM 0 HH12 ARG A 27 -27.034 9.876 10.158 1.00 0.84 H new ATOM 0 HH21 ARG A 27 -25.156 8.513 7.509 1.00 0.77 H new ATOM 0 HH22 ARG A 27 -26.618 9.395 7.962 1.00 0.77 H new ATOM 138 N ALA A 28 -19.051 4.617 10.320 1.00 0.44 N ATOM 139 CA ALA A 28 -18.623 3.263 9.997 1.00 0.43 C ATOM 140 C ALA A 28 -17.724 2.707 11.092 1.00 0.42 C ATOM 141 O ALA A 28 -16.862 3.408 11.630 1.00 0.44 O ATOM 142 CB ALA A 28 -17.911 3.228 8.654 1.00 0.42 C ATOM 0 H ALA A 28 -18.465 5.091 11.007 1.00 0.44 H new ATOM 0 HA ALA A 28 -19.511 2.635 9.930 1.00 0.43 H new ATOM 0 HB1 ALA A 28 -17.600 2.207 8.433 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -18.588 3.578 7.874 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -17.034 3.874 8.690 1.00 0.42 H new ATOM 148 N GLY A 29 -17.935 1.443 11.426 1.00 0.43 N ATOM 149 CA GLY A 29 -17.139 0.807 12.448 1.00 0.43 C ATOM 150 C GLY A 29 -15.915 0.147 11.857 1.00 0.41 C ATOM 151 O GLY A 29 -15.967 -0.377 10.744 1.00 0.46 O ATOM 0 H GLY A 29 -18.647 0.846 11.004 1.00 0.43 H new ATOM 0 HA2 GLY A 29 -16.835 1.547 13.188 1.00 0.43 H new ATOM 0 HA3 GLY A 29 -17.740 0.063 12.970 1.00 0.43 H new ATOM 155 N LYS A 30 -14.815 0.178 12.585 1.00 0.42 N ATOM 156 CA LYS A 30 -13.580 -0.426 12.111 1.00 0.42 C ATOM 157 C LYS A 30 -13.454 -1.853 12.624 1.00 0.41 C ATOM 158 O LYS A 30 -14.375 -2.385 13.248 1.00 0.45 O ATOM 159 CB LYS A 30 -12.371 0.400 12.560 1.00 0.48 C ATOM 160 CG LYS A 30 -12.110 0.342 14.059 1.00 0.54 C ATOM 161 CD LYS A 30 -10.764 0.951 14.411 1.00 0.67 C ATOM 162 CE LYS A 30 -10.457 0.791 15.892 1.00 0.70 C ATOM 163 NZ LYS A 30 -9.198 1.481 16.277 1.00 0.60 N ATOM 0 H LYS A 30 -14.749 0.613 13.505 1.00 0.42 H new ATOM 0 HA LYS A 30 -13.606 -0.445 11.021 1.00 0.42 H new ATOM 0 HB2 LYS A 30 -11.485 0.047 12.032 1.00 0.48 H new ATOM 0 HB3 LYS A 30 -12.523 1.439 12.267 1.00 0.48 H new ATOM 0 HG2 LYS A 30 -12.901 0.873 14.588 1.00 0.54 H new ATOM 0 HG3 LYS A 30 -12.141 -0.694 14.396 1.00 0.54 H new ATOM 0 HD2 LYS A 30 -9.981 0.474 13.821 1.00 0.67 H new ATOM 0 HD3 LYS A 30 -10.761 2.009 14.149 1.00 0.67 H new ATOM 0 HE2 LYS A 30 -11.284 1.191 16.479 1.00 0.70 H new ATOM 0 HE3 LYS A 30 -10.378 -0.269 16.134 1.00 0.70 H new ATOM 0 HZ1 LYS A 30 -8.566 0.808 16.755 1.00 0.60 H new ATOM 0 HZ2 LYS A 30 -8.730 1.850 15.425 1.00 0.60 H new ATOM 0 HZ3 LYS A 30 -9.416 2.268 16.921 1.00 0.60 H new ATOM 177 N MET A 31 -12.323 -2.476 12.340 1.00 0.43 N ATOM 178 CA MET A 31 -12.053 -3.832 12.787 1.00 0.44 C ATOM 179 C MET A 31 -10.608 -3.919 13.250 1.00 0.46 C ATOM 180 O MET A 31 -9.755 -3.186 12.751 1.00 0.55 O ATOM 181 CB MET A 31 -12.310 -4.850 11.668 1.00 0.46 C ATOM 182 CG MET A 31 -13.652 -4.678 10.972 1.00 0.47 C ATOM 183 SD MET A 31 -14.204 -6.173 10.131 1.00 0.54 S ATOM 184 CE MET A 31 -15.723 -5.581 9.386 1.00 0.61 C ATOM 0 H MET A 31 -11.569 -2.058 11.795 1.00 0.43 H new ATOM 0 HA MET A 31 -12.725 -4.071 13.611 1.00 0.44 H new ATOM 0 HB2 MET A 31 -11.515 -4.769 10.927 1.00 0.46 H new ATOM 0 HB3 MET A 31 -12.255 -5.855 12.086 1.00 0.46 H new ATOM 0 HG2 MET A 31 -14.401 -4.383 11.707 1.00 0.47 H new ATOM 0 HG3 MET A 31 -13.579 -3.866 10.248 1.00 0.47 H new ATOM 0 HE1 MET A 31 -16.192 -6.389 8.825 1.00 0.61 H new ATOM 0 HE2 MET A 31 -16.402 -5.239 10.167 1.00 0.61 H new ATOM 0 HE3 MET A 31 -15.499 -4.754 8.712 1.00 0.61 H new ATOM 194 N SER A 32 -10.334 -4.788 14.206 1.00 0.49 N ATOM 195 CA SER A 32 -8.981 -4.936 14.717 1.00 0.52 C ATOM 196 C SER A 32 -8.525 -6.386 14.641 1.00 0.52 C ATOM 197 O SER A 32 -9.307 -7.307 14.890 1.00 0.54 O ATOM 198 CB SER A 32 -8.911 -4.432 16.158 1.00 0.59 C ATOM 199 OG SER A 32 -9.685 -3.255 16.322 1.00 0.93 O ATOM 0 H SER A 32 -11.024 -5.399 14.643 1.00 0.49 H new ATOM 0 HA SER A 32 -8.311 -4.340 14.097 1.00 0.52 H new ATOM 0 HB2 SER A 32 -9.271 -5.206 16.836 1.00 0.59 H new ATOM 0 HB3 SER A 32 -7.874 -4.230 16.427 1.00 0.59 H new ATOM 0 HG SER A 32 -9.626 -2.952 17.252 1.00 0.93 H new ATOM 205 N LEU A 33 -7.268 -6.591 14.282 1.00 0.54 N ATOM 206 CA LEU A 33 -6.715 -7.930 14.186 1.00 0.56 C ATOM 207 C LEU A 33 -6.296 -8.423 15.564 1.00 0.58 C ATOM 208 O LEU A 33 -5.259 -8.017 16.095 1.00 0.63 O ATOM 209 CB LEU A 33 -5.520 -7.950 13.227 1.00 0.58 C ATOM 210 CG LEU A 33 -4.885 -9.325 13.007 1.00 0.61 C ATOM 211 CD1 LEU A 33 -5.829 -10.245 12.247 1.00 0.62 C ATOM 212 CD2 LEU A 33 -3.568 -9.185 12.265 1.00 0.67 C ATOM 0 H LEU A 33 -6.611 -5.845 14.052 1.00 0.54 H new ATOM 0 HA LEU A 33 -7.483 -8.596 13.793 1.00 0.56 H new ATOM 0 HB2 LEU A 33 -5.842 -7.557 12.262 1.00 0.58 H new ATOM 0 HB3 LEU A 33 -4.757 -7.272 13.609 1.00 0.58 H new ATOM 0 HG LEU A 33 -4.691 -9.771 13.983 1.00 0.61 H new ATOM 0 HD11 LEU A 33 -5.354 -11.216 12.104 1.00 0.62 H new ATOM 0 HD12 LEU A 33 -6.750 -10.372 12.816 1.00 0.62 H new ATOM 0 HD13 LEU A 33 -6.060 -9.807 11.276 1.00 0.62 H new ATOM 0 HD21 LEU A 33 -3.128 -10.171 12.116 1.00 0.67 H new ATOM 0 HD22 LEU A 33 -3.744 -8.716 11.297 1.00 0.67 H new ATOM 0 HD23 LEU A 33 -2.885 -8.568 12.849 1.00 0.67 H new ATOM 224 N LYS A 34 -7.115 -9.280 16.147 1.00 0.59 N ATOM 225 CA LYS A 34 -6.840 -9.828 17.465 1.00 0.63 C ATOM 226 C LYS A 34 -6.222 -11.210 17.327 1.00 0.65 C ATOM 227 O LYS A 34 -6.875 -12.147 16.861 1.00 0.68 O ATOM 228 CB LYS A 34 -8.126 -9.891 18.291 1.00 0.66 C ATOM 229 CG LYS A 34 -8.829 -8.549 18.410 1.00 0.68 C ATOM 230 CD LYS A 34 -9.941 -8.587 19.443 1.00 0.76 C ATOM 231 CE LYS A 34 -10.665 -7.254 19.516 1.00 0.84 C ATOM 232 NZ LYS A 34 -11.195 -6.979 20.877 1.00 1.01 N ATOM 0 H LYS A 34 -7.982 -9.614 15.726 1.00 0.59 H new ATOM 0 HA LYS A 34 -6.134 -9.179 17.983 1.00 0.63 H new ATOM 0 HB2 LYS A 34 -8.807 -10.611 17.837 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -7.891 -10.260 19.289 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -8.105 -7.782 18.683 1.00 0.68 H new ATOM 0 HG3 LYS A 34 -9.242 -8.267 17.441 1.00 0.68 H new ATOM 0 HD2 LYS A 34 -10.650 -9.376 19.190 1.00 0.76 H new ATOM 0 HD3 LYS A 34 -9.526 -8.833 20.420 1.00 0.76 H new ATOM 0 HE2 LYS A 34 -9.983 -6.455 19.225 1.00 0.84 H new ATOM 0 HE3 LYS A 34 -11.487 -7.249 18.800 1.00 0.84 H new ATOM 0 HZ1 LYS A 34 -11.681 -6.060 20.881 1.00 1.01 H new ATOM 0 HZ2 LYS A 34 -11.866 -7.727 21.146 1.00 1.01 H new ATOM 0 HZ3 LYS A 34 -10.409 -6.958 21.558 1.00 1.01 H new ATOM 246 N GLY A 35 -4.955 -11.321 17.707 1.00 0.66 N ATOM 247 CA GLY A 35 -4.248 -12.585 17.607 1.00 0.70 C ATOM 248 C GLY A 35 -3.941 -12.936 16.167 1.00 0.70 C ATOM 249 O GLY A 35 -2.823 -12.732 15.688 1.00 0.75 O ATOM 0 H GLY A 35 -4.401 -10.553 18.085 1.00 0.66 H new ATOM 0 HA2 GLY A 35 -3.319 -12.530 18.175 1.00 0.70 H new ATOM 0 HA3 GLY A 35 -4.849 -13.376 18.055 1.00 0.70 H new ATOM 253 N THR A 36 -4.941 -13.457 15.480 1.00 0.68 N ATOM 254 CA THR A 36 -4.812 -13.830 14.085 1.00 0.70 C ATOM 255 C THR A 36 -6.185 -13.777 13.410 1.00 0.68 C ATOM 256 O THR A 36 -6.359 -14.234 12.280 1.00 0.72 O ATOM 257 CB THR A 36 -4.182 -15.239 13.935 1.00 0.75 C ATOM 258 OG1 THR A 36 -3.735 -15.450 12.588 1.00 0.82 O ATOM 259 CG2 THR A 36 -5.167 -16.335 14.317 1.00 0.77 C ATOM 0 H THR A 36 -5.865 -13.633 15.874 1.00 0.68 H new ATOM 0 HA THR A 36 -4.145 -13.120 13.596 1.00 0.70 H new ATOM 0 HB THR A 36 -3.330 -15.287 14.614 1.00 0.75 H new ATOM 0 HG1 THR A 36 -4.421 -15.135 11.963 1.00 0.82 H new ATOM 0 HG21 THR A 36 -4.691 -17.309 14.200 1.00 0.77 H new ATOM 0 HG22 THR A 36 -5.473 -16.203 15.355 1.00 0.77 H new ATOM 0 HG23 THR A 36 -6.043 -16.279 13.670 1.00 0.77 H new ATOM 267 N THR A 37 -7.152 -13.188 14.105 1.00 0.66 N ATOM 268 CA THR A 37 -8.508 -13.080 13.590 1.00 0.66 C ATOM 269 C THR A 37 -9.002 -11.633 13.625 1.00 0.61 C ATOM 270 O THR A 37 -8.918 -10.957 14.656 1.00 0.61 O ATOM 271 CB THR A 37 -9.465 -13.971 14.400 1.00 0.71 C ATOM 272 OG1 THR A 37 -8.803 -15.195 14.747 1.00 0.79 O ATOM 273 CG2 THR A 37 -10.722 -14.281 13.606 1.00 0.81 C ATOM 0 H THR A 37 -7.019 -12.777 15.029 1.00 0.66 H new ATOM 0 HA THR A 37 -8.493 -13.416 12.553 1.00 0.66 H new ATOM 0 HB THR A 37 -9.752 -13.435 15.305 1.00 0.71 H new ATOM 0 HG1 THR A 37 -9.413 -15.761 15.265 1.00 0.79 H new ATOM 0 HG21 THR A 37 -11.382 -14.912 14.201 1.00 0.81 H new ATOM 0 HG22 THR A 37 -11.235 -13.351 13.359 1.00 0.81 H new ATOM 0 HG23 THR A 37 -10.453 -14.802 12.687 1.00 0.81 H new ATOM 281 N VAL A 38 -9.499 -11.157 12.490 1.00 0.60 N ATOM 282 CA VAL A 38 -10.019 -9.802 12.389 1.00 0.57 C ATOM 283 C VAL A 38 -11.373 -9.709 13.083 1.00 0.57 C ATOM 284 O VAL A 38 -12.348 -10.318 12.645 1.00 0.64 O ATOM 285 CB VAL A 38 -10.163 -9.362 10.914 1.00 0.57 C ATOM 286 CG1 VAL A 38 -10.664 -7.932 10.826 1.00 0.59 C ATOM 287 CG2 VAL A 38 -8.842 -9.507 10.179 1.00 0.61 C ATOM 0 H VAL A 38 -9.552 -11.693 11.624 1.00 0.60 H new ATOM 0 HA VAL A 38 -9.309 -9.135 12.878 1.00 0.57 H new ATOM 0 HB VAL A 38 -10.896 -10.013 10.437 1.00 0.57 H new ATOM 0 HG11 VAL A 38 -10.758 -7.643 9.779 1.00 0.59 H new ATOM 0 HG12 VAL A 38 -11.637 -7.857 11.312 1.00 0.59 H new ATOM 0 HG13 VAL A 38 -9.958 -7.268 11.324 1.00 0.59 H new ATOM 0 HG21 VAL A 38 -8.966 -9.192 9.143 1.00 0.61 H new ATOM 0 HG22 VAL A 38 -8.088 -8.884 10.660 1.00 0.61 H new ATOM 0 HG23 VAL A 38 -8.523 -10.549 10.206 1.00 0.61 H new ATOM 297 N THR A 39 -11.426 -8.965 14.174 1.00 0.56 N ATOM 298 CA THR A 39 -12.664 -8.808 14.920 1.00 0.58 C ATOM 299 C THR A 39 -13.217 -7.396 14.753 1.00 0.55 C ATOM 300 O THR A 39 -12.524 -6.417 15.043 1.00 0.55 O ATOM 301 CB THR A 39 -12.443 -9.101 16.411 1.00 0.64 C ATOM 302 OG1 THR A 39 -11.430 -10.107 16.556 1.00 0.67 O ATOM 303 CG2 THR A 39 -13.729 -9.575 17.071 1.00 0.74 C ATOM 0 H THR A 39 -10.629 -8.461 14.563 1.00 0.56 H new ATOM 0 HA THR A 39 -13.385 -9.522 14.523 1.00 0.58 H new ATOM 0 HB THR A 39 -12.125 -8.180 16.900 1.00 0.64 H new ATOM 0 HG1 THR A 39 -11.504 -10.520 17.441 1.00 0.67 H new ATOM 0 HG21 THR A 39 -13.544 -9.775 18.126 1.00 0.74 H new ATOM 0 HG22 THR A 39 -14.492 -8.803 16.977 1.00 0.74 H new ATOM 0 HG23 THR A 39 -14.073 -10.487 16.584 1.00 0.74 H new ATOM 311 N PRO A 40 -14.462 -7.267 14.266 1.00 0.55 N ATOM 312 CA PRO A 40 -15.104 -5.962 14.063 1.00 0.54 C ATOM 313 C PRO A 40 -15.341 -5.211 15.371 1.00 0.56 C ATOM 314 O PRO A 40 -15.596 -5.815 16.416 1.00 0.63 O ATOM 315 CB PRO A 40 -16.446 -6.309 13.406 1.00 0.56 C ATOM 316 CG PRO A 40 -16.315 -7.715 12.933 1.00 0.65 C ATOM 317 CD PRO A 40 -15.340 -8.377 13.859 1.00 0.58 C ATOM 0 HA PRO A 40 -14.477 -5.303 13.463 1.00 0.54 H new ATOM 0 HB2 PRO A 40 -17.266 -6.210 14.117 1.00 0.56 H new ATOM 0 HB3 PRO A 40 -16.661 -5.636 12.576 1.00 0.56 H new ATOM 0 HG2 PRO A 40 -17.279 -8.224 12.953 1.00 0.65 H new ATOM 0 HG3 PRO A 40 -15.958 -7.748 11.903 1.00 0.65 H new ATOM 0 HD2 PRO A 40 -15.840 -8.830 14.715 1.00 0.58 H new ATOM 0 HD3 PRO A 40 -14.783 -9.169 13.359 1.00 0.58 H new ATOM 325 N ASP A 41 -15.233 -3.892 15.304 1.00 0.53 N ATOM 326 CA ASP A 41 -15.450 -3.035 16.461 1.00 0.56 C ATOM 327 C ASP A 41 -16.929 -2.685 16.551 1.00 0.58 C ATOM 328 O ASP A 41 -17.555 -2.350 15.543 1.00 0.66 O ATOM 329 CB ASP A 41 -14.610 -1.757 16.349 1.00 0.57 C ATOM 330 CG ASP A 41 -14.204 -1.201 17.696 1.00 0.61 C ATOM 331 OD1 ASP A 41 -15.084 -1.011 18.562 1.00 0.64 O ATOM 332 OD2 ASP A 41 -12.999 -0.939 17.898 1.00 0.68 O ATOM 0 H ASP A 41 -14.994 -3.387 14.451 1.00 0.53 H new ATOM 0 HA ASP A 41 -15.144 -3.565 17.363 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -13.715 -1.966 15.763 1.00 0.57 H new ATOM 0 HB3 ASP A 41 -15.177 -1.001 15.805 1.00 0.57 H new ATOM 337 N LYS A 42 -17.487 -2.763 17.749 1.00 0.61 N ATOM 338 CA LYS A 42 -18.903 -2.484 17.949 1.00 0.64 C ATOM 339 C LYS A 42 -19.144 -1.039 18.377 1.00 0.64 C ATOM 340 O LYS A 42 -20.257 -0.675 18.758 1.00 0.76 O ATOM 341 CB LYS A 42 -19.488 -3.441 18.990 1.00 0.71 C ATOM 342 CG LYS A 42 -19.516 -4.893 18.537 1.00 0.72 C ATOM 343 CD LYS A 42 -20.345 -5.759 19.475 1.00 0.84 C ATOM 344 CE LYS A 42 -20.174 -7.235 19.167 1.00 0.90 C ATOM 345 NZ LYS A 42 -18.933 -7.786 19.769 1.00 1.08 N ATOM 0 H LYS A 42 -16.982 -3.017 18.598 1.00 0.61 H new ATOM 0 HA LYS A 42 -19.404 -2.635 16.993 1.00 0.64 H new ATOM 0 HB2 LYS A 42 -18.904 -3.367 19.908 1.00 0.71 H new ATOM 0 HB3 LYS A 42 -20.503 -3.125 19.231 1.00 0.71 H new ATOM 0 HG2 LYS A 42 -19.927 -4.952 17.529 1.00 0.72 H new ATOM 0 HG3 LYS A 42 -18.498 -5.279 18.490 1.00 0.72 H new ATOM 0 HD2 LYS A 42 -20.050 -5.565 20.506 1.00 0.84 H new ATOM 0 HD3 LYS A 42 -21.397 -5.488 19.388 1.00 0.84 H new ATOM 0 HE2 LYS A 42 -21.036 -7.787 19.543 1.00 0.90 H new ATOM 0 HE3 LYS A 42 -20.149 -7.380 18.087 1.00 0.90 H new ATOM 0 HZ1 LYS A 42 -18.853 -8.796 19.536 1.00 1.08 H new ATOM 0 HZ2 LYS A 42 -18.108 -7.277 19.391 1.00 1.08 H new ATOM 0 HZ3 LYS A 42 -18.968 -7.671 20.802 1.00 1.08 H new ATOM 359 N ARG A 43 -18.107 -0.219 18.319 1.00 0.58 N ATOM 360 CA ARG A 43 -18.234 1.179 18.695 1.00 0.58 C ATOM 361 C ARG A 43 -18.615 2.023 17.486 1.00 0.55 C ATOM 362 O ARG A 43 -18.243 1.709 16.352 1.00 0.55 O ATOM 363 CB ARG A 43 -16.930 1.702 19.296 1.00 0.58 C ATOM 364 CG ARG A 43 -16.607 1.119 20.661 1.00 0.60 C ATOM 365 CD ARG A 43 -15.214 1.518 21.108 1.00 0.60 C ATOM 366 NE ARG A 43 -14.202 1.114 20.137 1.00 0.57 N ATOM 367 CZ ARG A 43 -13.015 1.705 20.003 1.00 0.57 C ATOM 368 NH1 ARG A 43 -12.683 2.727 20.777 1.00 0.62 N ATOM 369 NH2 ARG A 43 -12.156 1.270 19.096 1.00 0.57 N ATOM 0 H ARG A 43 -17.173 -0.496 18.017 1.00 0.58 H new ATOM 0 HA ARG A 43 -19.021 1.254 19.446 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -16.111 1.479 18.613 1.00 0.58 H new ATOM 0 HB3 ARG A 43 -16.989 2.787 19.379 1.00 0.58 H new ATOM 0 HG2 ARG A 43 -17.340 1.465 21.390 1.00 0.60 H new ATOM 0 HG3 ARG A 43 -16.683 0.032 20.623 1.00 0.60 H new ATOM 0 HD2 ARG A 43 -15.172 2.598 21.250 1.00 0.60 H new ATOM 0 HD3 ARG A 43 -14.996 1.061 22.073 1.00 0.60 H new ATOM 0 HE ARG A 43 -14.417 0.329 19.522 1.00 0.57 H new ATOM 0 HH11 ARG A 43 -13.338 3.067 21.482 1.00 0.62 H new ATOM 0 HH12 ARG A 43 -11.773 3.174 20.669 1.00 0.62 H new ATOM 0 HH21 ARG A 43 -12.402 0.481 18.498 1.00 0.57 H new ATOM 0 HH22 ARG A 43 -11.248 1.723 18.995 1.00 0.57 H new ATOM 383 N LYS A 44 -19.363 3.089 17.732 1.00 0.57 N ATOM 384 CA LYS A 44 -19.787 3.988 16.670 1.00 0.56 C ATOM 385 C LYS A 44 -18.664 4.964 16.341 1.00 0.53 C ATOM 386 O LYS A 44 -18.475 5.969 17.027 1.00 0.59 O ATOM 387 CB LYS A 44 -21.052 4.749 17.077 1.00 0.62 C ATOM 388 CG LYS A 44 -22.248 3.847 17.330 1.00 0.70 C ATOM 389 CD LYS A 44 -23.441 4.632 17.852 1.00 0.79 C ATOM 390 CE LYS A 44 -24.629 3.724 18.117 1.00 0.93 C ATOM 391 NZ LYS A 44 -25.666 4.401 18.942 1.00 1.07 N ATOM 0 H LYS A 44 -19.689 3.353 18.662 1.00 0.57 H new ATOM 0 HA LYS A 44 -20.017 3.397 15.783 1.00 0.56 H new ATOM 0 HB2 LYS A 44 -20.845 5.326 17.978 1.00 0.62 H new ATOM 0 HB3 LYS A 44 -21.305 5.463 16.293 1.00 0.62 H new ATOM 0 HG2 LYS A 44 -22.523 3.338 16.406 1.00 0.70 H new ATOM 0 HG3 LYS A 44 -21.976 3.075 18.050 1.00 0.70 H new ATOM 0 HD2 LYS A 44 -23.164 5.149 18.771 1.00 0.79 H new ATOM 0 HD3 LYS A 44 -23.720 5.397 17.127 1.00 0.79 H new ATOM 0 HE2 LYS A 44 -25.066 3.410 17.169 1.00 0.93 H new ATOM 0 HE3 LYS A 44 -24.291 2.822 18.626 1.00 0.93 H new ATOM 0 HZ1 LYS A 44 -26.461 3.750 19.102 1.00 1.07 H new ATOM 0 HZ2 LYS A 44 -25.256 4.678 19.857 1.00 1.07 H new ATOM 0 HZ3 LYS A 44 -26.007 5.248 18.445 1.00 1.07 H new ATOM 405 N GLY A 45 -17.921 4.658 15.294 1.00 0.52 N ATOM 406 CA GLY A 45 -16.817 5.503 14.907 1.00 0.51 C ATOM 407 C GLY A 45 -17.126 6.356 13.703 1.00 0.48 C ATOM 408 O GLY A 45 -17.994 6.023 12.893 1.00 0.50 O ATOM 0 H GLY A 45 -18.063 3.838 14.704 1.00 0.52 H new ATOM 0 HA2 GLY A 45 -16.549 6.148 15.744 1.00 0.51 H new ATOM 0 HA3 GLY A 45 -15.948 4.881 14.692 1.00 0.51 H new ATOM 412 N LEU A 46 -16.420 7.462 13.599 1.00 0.46 N ATOM 413 CA LEU A 46 -16.587 8.387 12.499 1.00 0.45 C ATOM 414 C LEU A 46 -15.379 8.321 11.578 1.00 0.41 C ATOM 415 O LEU A 46 -14.255 8.630 11.981 1.00 0.42 O ATOM 416 CB LEU A 46 -16.762 9.813 13.036 1.00 0.47 C ATOM 417 CG LEU A 46 -16.991 10.893 11.978 1.00 0.51 C ATOM 418 CD1 LEU A 46 -18.374 10.758 11.364 1.00 0.56 C ATOM 419 CD2 LEU A 46 -16.805 12.276 12.581 1.00 0.59 C ATOM 0 H LEU A 46 -15.712 7.745 14.277 1.00 0.46 H new ATOM 0 HA LEU A 46 -17.477 8.111 11.934 1.00 0.45 H new ATOM 0 HB2 LEU A 46 -17.605 9.821 13.727 1.00 0.47 H new ATOM 0 HB3 LEU A 46 -15.875 10.076 13.613 1.00 0.47 H new ATOM 0 HG LEU A 46 -16.253 10.760 11.187 1.00 0.51 H new ATOM 0 HD11 LEU A 46 -18.517 11.536 10.614 1.00 0.56 H new ATOM 0 HD12 LEU A 46 -18.470 9.779 10.894 1.00 0.56 H new ATOM 0 HD13 LEU A 46 -19.130 10.862 12.143 1.00 0.56 H new ATOM 0 HD21 LEU A 46 -16.972 13.033 11.814 1.00 0.59 H new ATOM 0 HD22 LEU A 46 -17.519 12.418 13.392 1.00 0.59 H new ATOM 0 HD23 LEU A 46 -15.791 12.370 12.969 1.00 0.59 H new ATOM 431 N VAL A 47 -15.612 7.900 10.350 1.00 0.40 N ATOM 432 CA VAL A 47 -14.548 7.806 9.368 1.00 0.39 C ATOM 433 C VAL A 47 -14.471 9.107 8.593 1.00 0.37 C ATOM 434 O VAL A 47 -15.429 9.494 7.917 1.00 0.40 O ATOM 435 CB VAL A 47 -14.762 6.635 8.391 1.00 0.41 C ATOM 436 CG1 VAL A 47 -13.557 6.473 7.474 1.00 0.57 C ATOM 437 CG2 VAL A 47 -15.037 5.345 9.150 1.00 0.43 C ATOM 0 H VAL A 47 -16.530 7.617 10.008 1.00 0.40 H new ATOM 0 HA VAL A 47 -13.615 7.622 9.900 1.00 0.39 H new ATOM 0 HB VAL A 47 -15.632 6.860 7.774 1.00 0.41 H new ATOM 0 HG11 VAL A 47 -13.728 5.640 6.792 1.00 0.57 H new ATOM 0 HG12 VAL A 47 -13.411 7.388 6.900 1.00 0.57 H new ATOM 0 HG13 VAL A 47 -12.668 6.274 8.073 1.00 0.57 H new ATOM 0 HG21 VAL A 47 -15.185 4.530 8.441 1.00 0.43 H new ATOM 0 HG22 VAL A 47 -14.189 5.115 9.795 1.00 0.43 H new ATOM 0 HG23 VAL A 47 -15.934 5.465 9.758 1.00 0.43 H new ATOM 447 N TYR A 48 -13.347 9.788 8.703 1.00 0.37 N ATOM 448 CA TYR A 48 -13.176 11.055 8.023 1.00 0.37 C ATOM 449 C TYR A 48 -11.804 11.163 7.377 1.00 0.34 C ATOM 450 O TYR A 48 -10.856 10.477 7.766 1.00 0.36 O ATOM 451 CB TYR A 48 -13.380 12.215 9.007 1.00 0.43 C ATOM 452 CG TYR A 48 -12.213 12.433 9.950 1.00 0.44 C ATOM 453 CD1 TYR A 48 -12.030 11.628 11.068 1.00 0.63 C ATOM 454 CD2 TYR A 48 -11.293 13.446 9.715 1.00 0.46 C ATOM 455 CE1 TYR A 48 -10.962 11.827 11.923 1.00 0.73 C ATOM 456 CE2 TYR A 48 -10.223 13.650 10.563 1.00 0.54 C ATOM 457 CZ TYR A 48 -10.063 12.842 11.666 1.00 0.64 C ATOM 458 OH TYR A 48 -8.994 13.046 12.511 1.00 0.78 O ATOM 0 H TYR A 48 -12.543 9.487 9.254 1.00 0.37 H new ATOM 0 HA TYR A 48 -13.926 11.110 7.234 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -13.554 13.131 8.442 1.00 0.43 H new ATOM 0 HB3 TYR A 48 -14.279 12.027 9.594 1.00 0.43 H new ATOM 0 HD1 TYR A 48 -12.733 10.834 11.272 1.00 0.63 H new ATOM 0 HD2 TYR A 48 -11.417 14.086 8.854 1.00 0.46 H new ATOM 0 HE1 TYR A 48 -10.832 11.192 12.787 1.00 0.73 H new ATOM 0 HE2 TYR A 48 -9.515 14.440 10.362 1.00 0.54 H new ATOM 0 HH TYR A 48 -8.210 12.570 12.167 1.00 0.78 H new ATOM 468 N ILE A 49 -11.721 12.036 6.389 1.00 0.33 N ATOM 469 CA ILE A 49 -10.485 12.297 5.676 1.00 0.32 C ATOM 470 C ILE A 49 -10.249 13.803 5.641 1.00 0.30 C ATOM 471 O ILE A 49 -11.121 14.560 5.215 1.00 0.35 O ATOM 472 CB ILE A 49 -10.530 11.729 4.237 1.00 0.37 C ATOM 473 CG1 ILE A 49 -10.591 10.199 4.278 1.00 0.48 C ATOM 474 CG2 ILE A 49 -9.319 12.188 3.437 1.00 0.41 C ATOM 475 CD1 ILE A 49 -11.032 9.565 2.976 1.00 0.69 C ATOM 0 H ILE A 49 -12.513 12.586 6.058 1.00 0.33 H new ATOM 0 HA ILE A 49 -9.666 11.800 6.196 1.00 0.32 H new ATOM 0 HB ILE A 49 -11.426 12.106 3.745 1.00 0.37 H new ATOM 0 HG12 ILE A 49 -9.606 9.813 4.543 1.00 0.48 H new ATOM 0 HG13 ILE A 49 -11.276 9.894 5.069 1.00 0.48 H new ATOM 0 HG21 ILE A 49 -9.372 11.777 2.429 1.00 0.41 H new ATOM 0 HG22 ILE A 49 -9.309 13.277 3.385 1.00 0.41 H new ATOM 0 HG23 ILE A 49 -8.408 11.840 3.924 1.00 0.41 H new ATOM 0 HD11 ILE A 49 -11.049 8.481 3.087 1.00 0.69 H new ATOM 0 HD12 ILE A 49 -12.030 9.920 2.718 1.00 0.69 H new ATOM 0 HD13 ILE A 49 -10.334 9.838 2.184 1.00 0.69 H new ATOM 487 N GLN A 50 -9.084 14.238 6.104 1.00 0.30 N ATOM 488 CA GLN A 50 -8.763 15.659 6.144 1.00 0.33 C ATOM 489 C GLN A 50 -7.364 15.925 5.597 1.00 0.30 C ATOM 490 O GLN A 50 -6.476 15.080 5.702 1.00 0.36 O ATOM 491 CB GLN A 50 -8.865 16.166 7.589 1.00 0.42 C ATOM 492 CG GLN A 50 -8.611 17.659 7.748 1.00 0.51 C ATOM 493 CD GLN A 50 -8.433 18.071 9.197 1.00 0.66 C ATOM 494 OE1 GLN A 50 -8.001 17.281 10.037 1.00 0.82 O ATOM 495 NE2 GLN A 50 -8.746 19.319 9.495 1.00 0.86 N ATOM 0 H GLN A 50 -8.346 13.628 6.457 1.00 0.30 H new ATOM 0 HA GLN A 50 -9.477 16.191 5.515 1.00 0.33 H new ATOM 0 HB2 GLN A 50 -9.859 15.935 7.973 1.00 0.42 H new ATOM 0 HB3 GLN A 50 -8.150 15.620 8.205 1.00 0.42 H new ATOM 0 HG2 GLN A 50 -7.720 17.934 7.184 1.00 0.51 H new ATOM 0 HG3 GLN A 50 -9.445 18.213 7.317 1.00 0.51 H new ATOM 0 HE21 GLN A 50 -9.101 19.943 8.770 1.00 0.86 H new ATOM 0 HE22 GLN A 50 -8.633 19.659 10.450 1.00 0.86 H new ATOM 504 N GLN A 51 -7.181 17.093 4.996 1.00 0.37 N ATOM 505 CA GLN A 51 -5.887 17.482 4.455 1.00 0.37 C ATOM 506 C GLN A 51 -5.409 18.747 5.153 1.00 0.39 C ATOM 507 O GLN A 51 -6.135 19.738 5.214 1.00 0.51 O ATOM 508 CB GLN A 51 -5.976 17.715 2.946 1.00 0.44 C ATOM 509 CG GLN A 51 -4.619 17.834 2.273 1.00 0.52 C ATOM 510 CD GLN A 51 -4.713 18.304 0.833 1.00 0.72 C ATOM 511 OE1 GLN A 51 -5.600 19.080 0.474 1.00 0.91 O ATOM 512 NE2 GLN A 51 -3.804 17.831 -0.006 1.00 0.93 N ATOM 0 H GLN A 51 -7.916 17.789 4.871 1.00 0.37 H new ATOM 0 HA GLN A 51 -5.175 16.676 4.631 1.00 0.37 H new ATOM 0 HB2 GLN A 51 -6.528 16.893 2.491 1.00 0.44 H new ATOM 0 HB3 GLN A 51 -6.547 18.625 2.759 1.00 0.44 H new ATOM 0 HG2 GLN A 51 -3.999 18.530 2.837 1.00 0.52 H new ATOM 0 HG3 GLN A 51 -4.119 16.866 2.302 1.00 0.52 H new ATOM 0 HE21 GLN A 51 -3.085 17.190 0.329 1.00 0.93 H new ATOM 0 HE22 GLN A 51 -3.823 18.108 -0.988 1.00 0.93 H new ATOM 521 N THR A 52 -4.200 18.708 5.687 1.00 0.38 N ATOM 522 CA THR A 52 -3.646 19.849 6.395 1.00 0.45 C ATOM 523 C THR A 52 -2.721 20.670 5.495 1.00 0.36 C ATOM 524 O THR A 52 -2.652 20.440 4.285 1.00 0.33 O ATOM 525 CB THR A 52 -2.869 19.386 7.642 1.00 0.59 C ATOM 526 OG1 THR A 52 -2.695 17.958 7.601 1.00 0.65 O ATOM 527 CG2 THR A 52 -3.594 19.787 8.920 1.00 0.80 C ATOM 0 H THR A 52 -3.583 17.897 5.643 1.00 0.38 H new ATOM 0 HA THR A 52 -4.481 20.479 6.701 1.00 0.45 H new ATOM 0 HB THR A 52 -1.893 19.872 7.641 1.00 0.59 H new ATOM 0 HG1 THR A 52 -2.119 17.720 6.845 1.00 0.65 H new ATOM 0 HG21 THR A 52 -3.023 19.447 9.784 1.00 0.80 H new ATOM 0 HG22 THR A 52 -3.696 20.872 8.956 1.00 0.80 H new ATOM 0 HG23 THR A 52 -4.583 19.329 8.936 1.00 0.80 H new ATOM 535 N ASP A 53 -1.996 21.611 6.099 1.00 0.40 N ATOM 536 CA ASP A 53 -1.068 22.467 5.363 1.00 0.41 C ATOM 537 C ASP A 53 0.124 21.657 4.873 1.00 0.39 C ATOM 538 O ASP A 53 0.898 22.112 4.027 1.00 0.52 O ATOM 539 CB ASP A 53 -0.593 23.632 6.235 1.00 0.52 C ATOM 540 CG ASP A 53 0.548 23.264 7.167 1.00 0.62 C ATOM 541 OD1 ASP A 53 0.378 22.336 7.986 1.00 0.77 O ATOM 542 OD2 ASP A 53 1.615 23.915 7.094 1.00 0.74 O ATOM 0 H ASP A 53 -2.034 21.800 7.101 1.00 0.40 H new ATOM 0 HA ASP A 53 -1.594 22.877 4.501 1.00 0.41 H new ATOM 0 HB2 ASP A 53 -0.276 24.452 5.591 1.00 0.52 H new ATOM 0 HB3 ASP A 53 -1.432 23.998 6.827 1.00 0.52 H new ATOM 547 N ASP A 54 0.256 20.451 5.411 1.00 0.42 N ATOM 548 CA ASP A 54 1.328 19.543 5.029 1.00 0.55 C ATOM 549 C ASP A 54 1.062 18.986 3.637 1.00 0.45 C ATOM 550 O ASP A 54 1.933 18.365 3.026 1.00 0.52 O ATOM 551 CB ASP A 54 1.472 18.392 6.050 1.00 0.73 C ATOM 552 CG ASP A 54 0.184 17.607 6.303 1.00 0.74 C ATOM 553 OD1 ASP A 54 -0.838 17.866 5.633 1.00 0.65 O ATOM 554 OD2 ASP A 54 0.187 16.725 7.201 1.00 1.10 O ATOM 0 H ASP A 54 -0.374 20.077 6.121 1.00 0.42 H new ATOM 0 HA ASP A 54 2.265 20.101 5.019 1.00 0.55 H new ATOM 0 HB2 ASP A 54 2.239 17.703 5.697 1.00 0.73 H new ATOM 0 HB3 ASP A 54 1.824 18.804 6.996 1.00 0.73 H new ATOM 559 N SER A 55 -0.153 19.240 3.145 1.00 0.36 N ATOM 560 CA SER A 55 -0.592 18.783 1.831 1.00 0.40 C ATOM 561 C SER A 55 -0.648 17.263 1.789 1.00 0.37 C ATOM 562 O SER A 55 -0.494 16.647 0.731 1.00 0.52 O ATOM 563 CB SER A 55 0.331 19.321 0.738 1.00 0.57 C ATOM 564 OG SER A 55 0.542 20.714 0.896 1.00 0.66 O ATOM 0 H SER A 55 -0.861 19.771 3.652 1.00 0.36 H new ATOM 0 HA SER A 55 -1.595 19.169 1.648 1.00 0.40 H new ATOM 0 HB2 SER A 55 1.287 18.798 0.773 1.00 0.57 H new ATOM 0 HB3 SER A 55 -0.105 19.124 -0.241 1.00 0.57 H new ATOM 0 HG SER A 55 1.137 21.037 0.187 1.00 0.66 H new ATOM 570 N LEU A 56 -0.868 16.668 2.953 1.00 0.28 N ATOM 571 CA LEU A 56 -0.950 15.227 3.080 1.00 0.31 C ATOM 572 C LEU A 56 -2.371 14.812 3.439 1.00 0.27 C ATOM 573 O LEU A 56 -3.018 15.438 4.282 1.00 0.30 O ATOM 574 CB LEU A 56 0.023 14.738 4.155 1.00 0.38 C ATOM 575 CG LEU A 56 1.496 15.073 3.910 1.00 0.40 C ATOM 576 CD1 LEU A 56 2.343 14.666 5.106 1.00 0.49 C ATOM 577 CD2 LEU A 56 1.999 14.394 2.646 1.00 0.48 C ATOM 0 H LEU A 56 -0.994 17.172 3.831 1.00 0.28 H new ATOM 0 HA LEU A 56 -0.680 14.775 2.125 1.00 0.31 H new ATOM 0 HB2 LEU A 56 -0.275 15.166 5.112 1.00 0.38 H new ATOM 0 HB3 LEU A 56 -0.076 13.656 4.245 1.00 0.38 H new ATOM 0 HG LEU A 56 1.582 16.151 3.777 1.00 0.40 H new ATOM 0 HD11 LEU A 56 3.387 14.912 4.913 1.00 0.49 H new ATOM 0 HD12 LEU A 56 2.002 15.201 5.992 1.00 0.49 H new ATOM 0 HD13 LEU A 56 2.248 13.593 5.271 1.00 0.49 H new ATOM 0 HD21 LEU A 56 3.048 14.646 2.491 1.00 0.48 H new ATOM 0 HD22 LEU A 56 1.896 13.314 2.748 1.00 0.48 H new ATOM 0 HD23 LEU A 56 1.414 14.735 1.792 1.00 0.48 H new ATOM 589 N ILE A 57 -2.849 13.766 2.789 1.00 0.27 N ATOM 590 CA ILE A 57 -4.184 13.253 3.035 1.00 0.26 C ATOM 591 C ILE A 57 -4.193 12.423 4.313 1.00 0.24 C ATOM 592 O ILE A 57 -3.507 11.407 4.407 1.00 0.29 O ATOM 593 CB ILE A 57 -4.673 12.381 1.860 1.00 0.30 C ATOM 594 CG1 ILE A 57 -4.605 13.159 0.538 1.00 0.45 C ATOM 595 CG2 ILE A 57 -6.090 11.891 2.116 1.00 0.35 C ATOM 596 CD1 ILE A 57 -5.454 14.413 0.517 1.00 0.57 C ATOM 0 H ILE A 57 -2.326 13.251 2.080 1.00 0.27 H new ATOM 0 HA ILE A 57 -4.856 14.105 3.139 1.00 0.26 H new ATOM 0 HB ILE A 57 -4.015 11.516 1.780 1.00 0.30 H new ATOM 0 HG12 ILE A 57 -3.568 13.431 0.341 1.00 0.45 H new ATOM 0 HG13 ILE A 57 -4.922 12.504 -0.274 1.00 0.45 H new ATOM 0 HG21 ILE A 57 -6.420 11.277 1.278 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -6.110 11.298 3.030 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -6.757 12.746 2.224 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -5.352 14.905 -0.450 1.00 0.57 H new ATOM 0 HD12 ILE A 57 -6.499 14.148 0.681 1.00 0.57 H new ATOM 0 HD13 ILE A 57 -5.124 15.089 1.305 1.00 0.57 H new ATOM 608 N HIS A 58 -4.958 12.861 5.300 1.00 0.25 N ATOM 609 CA HIS A 58 -5.029 12.157 6.568 1.00 0.27 C ATOM 610 C HIS A 58 -6.315 11.356 6.692 1.00 0.27 C ATOM 611 O HIS A 58 -7.414 11.914 6.695 1.00 0.33 O ATOM 612 CB HIS A 58 -4.924 13.141 7.735 1.00 0.32 C ATOM 613 CG HIS A 58 -3.544 13.674 7.962 1.00 0.39 C ATOM 614 ND1 HIS A 58 -2.699 13.190 8.938 1.00 0.51 N ATOM 615 CD2 HIS A 58 -2.857 14.659 7.331 1.00 0.48 C ATOM 616 CE1 HIS A 58 -1.557 13.854 8.899 1.00 0.61 C ATOM 617 NE2 HIS A 58 -1.629 14.751 7.933 1.00 0.59 N ATOM 0 H HIS A 58 -5.537 13.699 5.247 1.00 0.25 H new ATOM 0 HA HIS A 58 -4.189 11.464 6.601 1.00 0.27 H new ATOM 0 HB2 HIS A 58 -5.600 13.977 7.553 1.00 0.32 H new ATOM 0 HB3 HIS A 58 -5.265 12.647 8.645 1.00 0.32 H new ATOM 0 HD2 HIS A 58 -3.212 15.260 6.507 1.00 0.48 H new ATOM 0 HE1 HIS A 58 -0.709 13.691 9.547 1.00 0.61 H new ATOM 0 HE2 HIS A 58 -0.891 15.406 7.676 1.00 0.59 H new ATOM 626 N PHE A 59 -6.161 10.048 6.771 1.00 0.27 N ATOM 627 CA PHE A 59 -7.279 9.140 6.941 1.00 0.28 C ATOM 628 C PHE A 59 -7.269 8.671 8.387 1.00 0.31 C ATOM 629 O PHE A 59 -6.360 7.946 8.802 1.00 0.36 O ATOM 630 CB PHE A 59 -7.157 7.949 5.984 1.00 0.31 C ATOM 631 CG PHE A 59 -8.204 6.891 6.191 1.00 0.45 C ATOM 632 CD1 PHE A 59 -9.498 7.080 5.737 1.00 0.69 C ATOM 633 CD2 PHE A 59 -7.891 5.705 6.840 1.00 0.63 C ATOM 634 CE1 PHE A 59 -10.460 6.107 5.925 1.00 0.92 C ATOM 635 CE2 PHE A 59 -8.849 4.732 7.031 1.00 0.84 C ATOM 636 CZ PHE A 59 -10.135 4.932 6.572 1.00 0.94 C ATOM 0 H PHE A 59 -5.254 9.584 6.719 1.00 0.27 H new ATOM 0 HA PHE A 59 -8.218 9.643 6.711 1.00 0.28 H new ATOM 0 HB2 PHE A 59 -7.219 8.312 4.958 1.00 0.31 H new ATOM 0 HB3 PHE A 59 -6.171 7.499 6.103 1.00 0.31 H new ATOM 0 HD1 PHE A 59 -9.758 7.998 5.231 1.00 0.69 H new ATOM 0 HD2 PHE A 59 -6.886 5.542 7.200 1.00 0.63 H new ATOM 0 HE1 PHE A 59 -11.466 6.266 5.566 1.00 0.92 H new ATOM 0 HE2 PHE A 59 -8.593 3.814 7.539 1.00 0.84 H new ATOM 0 HZ PHE A 59 -10.886 4.170 6.719 1.00 0.94 H new ATOM 646 N CYS A 60 -8.250 9.096 9.163 1.00 0.33 N ATOM 647 CA CYS A 60 -8.289 8.739 10.571 1.00 0.38 C ATOM 648 C CYS A 60 -9.646 8.186 10.995 1.00 0.38 C ATOM 649 O CYS A 60 -10.653 8.372 10.313 1.00 0.40 O ATOM 650 CB CYS A 60 -7.948 9.970 11.417 1.00 0.43 C ATOM 651 SG CYS A 60 -6.920 11.198 10.573 1.00 0.46 S ATOM 0 H CYS A 60 -9.023 9.682 8.847 1.00 0.33 H new ATOM 0 HA CYS A 60 -7.554 7.950 10.730 1.00 0.38 H new ATOM 0 HB2 CYS A 60 -8.876 10.447 11.733 1.00 0.43 H new ATOM 0 HB3 CYS A 60 -7.434 9.643 12.321 1.00 0.43 H new ATOM 0 HG CYS A 60 -5.669 10.857 10.669 1.00 0.46 H new ATOM 657 N TRP A 61 -9.648 7.507 12.136 1.00 0.39 N ATOM 658 CA TRP A 61 -10.856 6.926 12.705 1.00 0.39 C ATOM 659 C TRP A 61 -11.093 7.547 14.074 1.00 0.42 C ATOM 660 O TRP A 61 -10.355 7.279 15.025 1.00 0.45 O ATOM 661 CB TRP A 61 -10.727 5.402 12.824 1.00 0.40 C ATOM 662 CG TRP A 61 -12.027 4.716 13.111 1.00 0.41 C ATOM 663 CD1 TRP A 61 -12.992 4.375 12.207 1.00 0.43 C ATOM 664 CD2 TRP A 61 -12.502 4.281 14.392 1.00 0.43 C ATOM 665 NE1 TRP A 61 -14.038 3.758 12.844 1.00 0.45 N ATOM 666 CE2 TRP A 61 -13.763 3.686 14.185 1.00 0.45 C ATOM 667 CE3 TRP A 61 -11.990 4.337 15.692 1.00 0.46 C ATOM 668 CZ2 TRP A 61 -14.509 3.150 15.228 1.00 0.49 C ATOM 669 CZ3 TRP A 61 -12.735 3.805 16.726 1.00 0.51 C ATOM 670 CH2 TRP A 61 -13.984 3.217 16.490 1.00 0.52 C ATOM 0 H TRP A 61 -8.809 7.344 12.693 1.00 0.39 H new ATOM 0 HA TRP A 61 -11.702 7.134 12.050 1.00 0.39 H new ATOM 0 HB2 TRP A 61 -10.313 5.006 11.897 1.00 0.40 H new ATOM 0 HB3 TRP A 61 -10.017 5.166 13.617 1.00 0.40 H new ATOM 0 HD1 TRP A 61 -12.939 4.564 11.145 1.00 0.43 H new ATOM 0 HE1 TRP A 61 -14.884 3.409 12.393 1.00 0.45 H new ATOM 0 HE3 TRP A 61 -11.028 4.789 15.884 1.00 0.46 H new ATOM 0 HZ2 TRP A 61 -15.472 2.695 15.048 1.00 0.49 H new ATOM 0 HZ3 TRP A 61 -12.348 3.843 17.734 1.00 0.51 H new ATOM 0 HH2 TRP A 61 -14.543 2.809 17.319 1.00 0.52 H new ATOM 681 N LYS A 62 -12.100 8.395 14.159 1.00 0.46 N ATOM 682 CA LYS A 62 -12.417 9.078 15.401 1.00 0.50 C ATOM 683 C LYS A 62 -13.645 8.471 16.066 1.00 0.51 C ATOM 684 O LYS A 62 -14.687 8.312 15.437 1.00 0.51 O ATOM 685 CB LYS A 62 -12.645 10.567 15.123 1.00 0.57 C ATOM 686 CG LYS A 62 -12.916 11.408 16.362 1.00 0.63 C ATOM 687 CD LYS A 62 -13.055 12.881 16.007 1.00 0.75 C ATOM 688 CE LYS A 62 -13.383 13.729 17.224 1.00 0.93 C ATOM 689 NZ LYS A 62 -13.492 15.170 16.873 1.00 1.04 N ATOM 0 H LYS A 62 -12.716 8.629 13.380 1.00 0.46 H new ATOM 0 HA LYS A 62 -11.577 8.960 16.085 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -11.768 10.966 14.613 1.00 0.57 H new ATOM 0 HB3 LYS A 62 -13.487 10.671 14.438 1.00 0.57 H new ATOM 0 HG2 LYS A 62 -13.828 11.061 16.848 1.00 0.63 H new ATOM 0 HG3 LYS A 62 -12.104 11.279 17.077 1.00 0.63 H new ATOM 0 HD2 LYS A 62 -12.127 13.235 15.557 1.00 0.75 H new ATOM 0 HD3 LYS A 62 -13.838 13.002 15.259 1.00 0.75 H new ATOM 0 HE2 LYS A 62 -14.321 13.389 17.663 1.00 0.93 H new ATOM 0 HE3 LYS A 62 -12.610 13.596 17.980 1.00 0.93 H new ATOM 0 HZ1 LYS A 62 -13.717 15.719 17.727 1.00 1.04 H new ATOM 0 HZ2 LYS A 62 -12.589 15.500 16.477 1.00 1.04 H new ATOM 0 HZ3 LYS A 62 -14.247 15.300 16.169 1.00 1.04 H new ATOM 703 N ASP A 63 -13.511 8.125 17.338 1.00 0.53 N ATOM 704 CA ASP A 63 -14.619 7.556 18.095 1.00 0.55 C ATOM 705 C ASP A 63 -15.649 8.647 18.373 1.00 0.57 C ATOM 706 O ASP A 63 -15.295 9.731 18.840 1.00 0.62 O ATOM 707 CB ASP A 63 -14.111 6.943 19.408 1.00 0.61 C ATOM 708 CG ASP A 63 -15.234 6.516 20.339 1.00 0.65 C ATOM 709 OD1 ASP A 63 -16.324 6.162 19.856 1.00 1.09 O ATOM 710 OD2 ASP A 63 -15.031 6.548 21.574 1.00 0.92 O ATOM 0 H ASP A 63 -12.646 8.228 17.869 1.00 0.53 H new ATOM 0 HA ASP A 63 -15.087 6.762 17.513 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -13.486 6.079 19.181 1.00 0.61 H new ATOM 0 HB3 ASP A 63 -13.478 7.668 19.920 1.00 0.61 H new ATOM 715 N ARG A 64 -16.912 8.365 18.084 1.00 0.58 N ATOM 716 CA ARG A 64 -17.977 9.337 18.289 1.00 0.61 C ATOM 717 C ARG A 64 -18.423 9.369 19.744 1.00 0.66 C ATOM 718 O ARG A 64 -19.238 10.205 20.134 1.00 0.75 O ATOM 719 CB ARG A 64 -19.165 9.027 17.378 1.00 0.63 C ATOM 720 CG ARG A 64 -18.858 9.221 15.902 1.00 0.63 C ATOM 721 CD ARG A 64 -19.934 8.603 15.025 1.00 0.65 C ATOM 722 NE ARG A 64 -21.224 9.278 15.168 1.00 0.78 N ATOM 723 CZ ARG A 64 -22.401 8.666 15.044 1.00 0.91 C ATOM 724 NH1 ARG A 64 -22.448 7.365 14.775 1.00 0.99 N ATOM 725 NH2 ARG A 64 -23.530 9.349 15.195 1.00 1.14 N ATOM 0 H ARG A 64 -17.224 7.470 17.707 1.00 0.58 H new ATOM 0 HA ARG A 64 -17.584 10.321 18.035 1.00 0.61 H new ATOM 0 HB2 ARG A 64 -19.482 7.997 17.544 1.00 0.63 H new ATOM 0 HB3 ARG A 64 -20.003 9.667 17.655 1.00 0.63 H new ATOM 0 HG2 ARG A 64 -18.775 10.286 15.683 1.00 0.63 H new ATOM 0 HG3 ARG A 64 -17.893 8.772 15.668 1.00 0.63 H new ATOM 0 HD2 ARG A 64 -19.618 8.645 13.983 1.00 0.65 H new ATOM 0 HD3 ARG A 64 -20.048 7.550 15.281 1.00 0.65 H new ATOM 0 HE ARG A 64 -21.222 10.277 15.375 1.00 0.78 H new ATOM 0 HH11 ARG A 64 -21.583 6.836 14.664 1.00 0.99 H new ATOM 0 HH12 ARG A 64 -23.349 6.896 14.680 1.00 0.99 H new ATOM 0 HH21 ARG A 64 -23.498 10.346 15.407 1.00 1.14 H new ATOM 0 HH22 ARG A 64 -24.429 8.876 15.099 1.00 1.14 H new ATOM 739 N THR A 65 -17.896 8.456 20.542 1.00 0.68 N ATOM 740 CA THR A 65 -18.242 8.399 21.949 1.00 0.74 C ATOM 741 C THR A 65 -17.297 9.270 22.783 1.00 0.75 C ATOM 742 O THR A 65 -17.721 10.240 23.418 1.00 0.83 O ATOM 743 CB THR A 65 -18.193 6.952 22.469 1.00 0.76 C ATOM 744 OG1 THR A 65 -18.426 6.028 21.390 1.00 0.88 O ATOM 745 CG2 THR A 65 -19.233 6.733 23.555 1.00 0.93 C ATOM 0 H THR A 65 -17.229 7.746 20.239 1.00 0.68 H new ATOM 0 HA THR A 65 -19.258 8.780 22.050 1.00 0.74 H new ATOM 0 HB THR A 65 -17.203 6.778 22.890 1.00 0.76 H new ATOM 0 HG1 THR A 65 -17.613 5.944 20.850 1.00 0.88 H new ATOM 0 HG21 THR A 65 -19.180 5.703 23.907 1.00 0.93 H new ATOM 0 HG22 THR A 65 -19.040 7.411 24.386 1.00 0.93 H new ATOM 0 HG23 THR A 65 -20.227 6.927 23.152 1.00 0.93 H new ATOM 753 N SER A 66 -16.012 8.928 22.767 1.00 0.71 N ATOM 754 CA SER A 66 -15.013 9.668 23.533 1.00 0.75 C ATOM 755 C SER A 66 -14.525 10.909 22.790 1.00 0.73 C ATOM 756 O SER A 66 -14.171 11.914 23.408 1.00 0.79 O ATOM 757 CB SER A 66 -13.825 8.758 23.856 1.00 0.75 C ATOM 758 OG SER A 66 -13.321 8.133 22.684 1.00 0.75 O ATOM 0 H SER A 66 -15.638 8.144 22.233 1.00 0.71 H new ATOM 0 HA SER A 66 -15.488 10.000 24.456 1.00 0.75 H new ATOM 0 HB2 SER A 66 -13.035 9.342 24.328 1.00 0.75 H new ATOM 0 HB3 SER A 66 -14.131 7.997 24.574 1.00 0.75 H new ATOM 0 HG SER A 66 -13.829 7.314 22.505 1.00 0.75 H new ATOM 764 N GLY A 67 -14.509 10.836 21.466 1.00 0.67 N ATOM 765 CA GLY A 67 -14.043 11.955 20.672 1.00 0.67 C ATOM 766 C GLY A 67 -12.546 11.896 20.446 1.00 0.65 C ATOM 767 O GLY A 67 -11.913 12.902 20.121 1.00 0.70 O ATOM 0 H GLY A 67 -14.810 10.023 20.928 1.00 0.67 H new ATOM 0 HA2 GLY A 67 -14.556 11.958 19.711 1.00 0.67 H new ATOM 0 HA3 GLY A 67 -14.299 12.889 21.173 1.00 0.67 H new ATOM 771 N ASN A 68 -11.978 10.713 20.627 1.00 0.63 N ATOM 772 CA ASN A 68 -10.549 10.521 20.445 1.00 0.63 C ATOM 773 C ASN A 68 -10.264 9.888 19.095 1.00 0.58 C ATOM 774 O ASN A 68 -11.053 9.077 18.600 1.00 0.58 O ATOM 775 CB ASN A 68 -9.973 9.635 21.554 1.00 0.68 C ATOM 776 CG ASN A 68 -9.911 10.326 22.905 1.00 0.85 C ATOM 777 OD1 ASN A 68 -9.820 11.551 22.995 1.00 1.01 O ATOM 778 ND2 ASN A 68 -9.956 9.539 23.966 1.00 1.01 N ATOM 0 H ASN A 68 -12.486 9.872 20.900 1.00 0.63 H new ATOM 0 HA ASN A 68 -10.073 11.500 20.491 1.00 0.63 H new ATOM 0 HB2 ASN A 68 -10.581 8.734 21.642 1.00 0.68 H new ATOM 0 HB3 ASN A 68 -8.970 9.316 21.270 1.00 0.68 H new ATOM 0 HD21 ASN A 68 -9.915 9.942 24.902 1.00 1.01 H new ATOM 0 HD22 ASN A 68 -10.032 8.529 23.849 1.00 1.01 H new ATOM 785 N VAL A 69 -9.148 10.271 18.497 1.00 0.56 N ATOM 786 CA VAL A 69 -8.745 9.729 17.209 1.00 0.53 C ATOM 787 C VAL A 69 -7.767 8.586 17.429 1.00 0.51 C ATOM 788 O VAL A 69 -6.583 8.811 17.689 1.00 0.59 O ATOM 789 CB VAL A 69 -8.092 10.799 16.312 1.00 0.57 C ATOM 790 CG1 VAL A 69 -7.820 10.243 14.923 1.00 0.60 C ATOM 791 CG2 VAL A 69 -8.964 12.043 16.233 1.00 0.63 C ATOM 0 H VAL A 69 -8.502 10.958 18.885 1.00 0.56 H new ATOM 0 HA VAL A 69 -9.641 9.372 16.701 1.00 0.53 H new ATOM 0 HB VAL A 69 -7.139 11.081 16.759 1.00 0.57 H new ATOM 0 HG11 VAL A 69 -7.359 11.014 14.306 1.00 0.60 H new ATOM 0 HG12 VAL A 69 -7.147 9.389 14.998 1.00 0.60 H new ATOM 0 HG13 VAL A 69 -8.758 9.927 14.467 1.00 0.60 H new ATOM 0 HG21 VAL A 69 -8.483 12.784 15.595 1.00 0.63 H new ATOM 0 HG22 VAL A 69 -9.936 11.780 15.815 1.00 0.63 H new ATOM 0 HG23 VAL A 69 -9.099 12.457 17.232 1.00 0.63 H new ATOM 801 N GLU A 70 -8.270 7.365 17.345 1.00 0.49 N ATOM 802 CA GLU A 70 -7.446 6.182 17.560 1.00 0.51 C ATOM 803 C GLU A 70 -6.490 5.952 16.404 1.00 0.50 C ATOM 804 O GLU A 70 -5.272 5.922 16.587 1.00 0.62 O ATOM 805 CB GLU A 70 -8.321 4.943 17.746 1.00 0.55 C ATOM 806 CG GLU A 70 -9.257 5.032 18.936 1.00 0.81 C ATOM 807 CD GLU A 70 -9.821 3.683 19.328 1.00 0.68 C ATOM 808 OE1 GLU A 70 -9.905 2.785 18.460 1.00 0.69 O ATOM 809 OE2 GLU A 70 -10.181 3.506 20.509 1.00 0.71 O ATOM 0 H GLU A 70 -9.247 7.165 17.129 1.00 0.49 H new ATOM 0 HA GLU A 70 -6.863 6.355 18.464 1.00 0.51 H new ATOM 0 HB2 GLU A 70 -8.910 4.786 16.842 1.00 0.55 H new ATOM 0 HB3 GLU A 70 -7.679 4.070 17.864 1.00 0.55 H new ATOM 0 HG2 GLU A 70 -8.722 5.460 19.784 1.00 0.81 H new ATOM 0 HG3 GLU A 70 -10.077 5.711 18.700 1.00 0.81 H new ATOM 816 N ASP A 71 -7.042 5.796 15.216 1.00 0.47 N ATOM 817 CA ASP A 71 -6.236 5.546 14.031 1.00 0.46 C ATOM 818 C ASP A 71 -6.059 6.813 13.223 1.00 0.43 C ATOM 819 O ASP A 71 -6.985 7.612 13.102 1.00 0.46 O ATOM 820 CB ASP A 71 -6.877 4.465 13.158 1.00 0.51 C ATOM 821 CG ASP A 71 -6.899 3.110 13.831 1.00 0.57 C ATOM 822 OD1 ASP A 71 -5.838 2.456 13.906 1.00 0.73 O ATOM 823 OD2 ASP A 71 -7.984 2.679 14.277 1.00 0.61 O ATOM 0 H ASP A 71 -8.046 5.838 15.043 1.00 0.47 H new ATOM 0 HA ASP A 71 -5.257 5.200 14.363 1.00 0.46 H new ATOM 0 HB2 ASP A 71 -7.897 4.760 12.911 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -6.330 4.391 12.218 1.00 0.51 H new ATOM 828 N ASP A 72 -4.865 6.983 12.678 1.00 0.43 N ATOM 829 CA ASP A 72 -4.525 8.142 11.859 1.00 0.42 C ATOM 830 C ASP A 72 -3.372 7.781 10.936 1.00 0.42 C ATOM 831 O ASP A 72 -2.276 7.449 11.399 1.00 0.52 O ATOM 832 CB ASP A 72 -4.149 9.347 12.731 1.00 0.48 C ATOM 833 CG ASP A 72 -3.395 10.429 11.966 1.00 0.59 C ATOM 834 OD1 ASP A 72 -3.980 11.047 11.046 1.00 0.99 O ATOM 835 OD2 ASP A 72 -2.215 10.683 12.300 1.00 1.05 O ATOM 0 H ASP A 72 -4.099 6.319 12.790 1.00 0.43 H new ATOM 0 HA ASP A 72 -5.397 8.421 11.268 1.00 0.42 H new ATOM 0 HB2 ASP A 72 -5.056 9.777 13.156 1.00 0.48 H new ATOM 0 HB3 ASP A 72 -3.536 9.006 13.565 1.00 0.48 H new ATOM 840 N LEU A 73 -3.633 7.808 9.639 1.00 0.36 N ATOM 841 CA LEU A 73 -2.622 7.474 8.644 1.00 0.38 C ATOM 842 C LEU A 73 -2.631 8.481 7.505 1.00 0.34 C ATOM 843 O LEU A 73 -3.649 9.120 7.233 1.00 0.42 O ATOM 844 CB LEU A 73 -2.866 6.069 8.093 1.00 0.44 C ATOM 845 CG LEU A 73 -2.689 4.936 9.103 1.00 0.66 C ATOM 846 CD1 LEU A 73 -3.761 3.877 8.906 1.00 0.93 C ATOM 847 CD2 LEU A 73 -1.304 4.321 8.979 1.00 0.92 C ATOM 0 H LEU A 73 -4.541 8.059 9.247 1.00 0.36 H new ATOM 0 HA LEU A 73 -1.646 7.505 9.129 1.00 0.38 H new ATOM 0 HB2 LEU A 73 -3.879 6.023 7.693 1.00 0.44 H new ATOM 0 HB3 LEU A 73 -2.186 5.900 7.258 1.00 0.44 H new ATOM 0 HG LEU A 73 -2.792 5.350 10.106 1.00 0.66 H new ATOM 0 HD11 LEU A 73 -3.620 3.077 9.633 1.00 0.93 H new ATOM 0 HD12 LEU A 73 -4.745 4.325 9.045 1.00 0.93 H new ATOM 0 HD13 LEU A 73 -3.688 3.468 7.898 1.00 0.93 H new ATOM 0 HD21 LEU A 73 -1.197 3.516 9.706 1.00 0.92 H new ATOM 0 HD22 LEU A 73 -1.172 3.921 7.973 1.00 0.92 H new ATOM 0 HD23 LEU A 73 -0.549 5.084 9.168 1.00 0.92 H new ATOM 859 N ILE A 74 -1.495 8.614 6.844 1.00 0.29 N ATOM 860 CA ILE A 74 -1.359 9.535 5.728 1.00 0.28 C ATOM 861 C ILE A 74 -1.406 8.766 4.412 1.00 0.30 C ATOM 862 O ILE A 74 -0.472 8.050 4.070 1.00 0.51 O ATOM 863 CB ILE A 74 -0.042 10.326 5.832 1.00 0.30 C ATOM 864 CG1 ILE A 74 -0.040 11.182 7.101 1.00 0.43 C ATOM 865 CG2 ILE A 74 0.166 11.188 4.596 1.00 0.33 C ATOM 866 CD1 ILE A 74 1.333 11.670 7.495 1.00 0.59 C ATOM 0 H ILE A 74 -0.647 8.092 7.063 1.00 0.29 H new ATOM 0 HA ILE A 74 -2.187 10.243 5.759 1.00 0.28 H new ATOM 0 HB ILE A 74 0.786 9.619 5.891 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -0.693 12.041 6.951 1.00 0.43 H new ATOM 0 HG13 ILE A 74 -0.460 10.601 7.922 1.00 0.43 H new ATOM 0 HG21 ILE A 74 1.102 11.739 4.690 1.00 0.33 H new ATOM 0 HG22 ILE A 74 0.206 10.552 3.712 1.00 0.33 H new ATOM 0 HG23 ILE A 74 -0.661 11.892 4.500 1.00 0.33 H new ATOM 0 HD11 ILE A 74 1.260 12.270 8.402 1.00 0.59 H new ATOM 0 HD12 ILE A 74 1.985 10.815 7.677 1.00 0.59 H new ATOM 0 HD13 ILE A 74 1.748 12.278 6.691 1.00 0.59 H new ATOM 878 N ILE A 75 -2.496 8.921 3.682 1.00 0.24 N ATOM 879 CA ILE A 75 -2.681 8.216 2.420 1.00 0.23 C ATOM 880 C ILE A 75 -2.025 8.964 1.262 1.00 0.24 C ATOM 881 O ILE A 75 -2.043 10.193 1.217 1.00 0.26 O ATOM 882 CB ILE A 75 -4.179 8.016 2.120 1.00 0.27 C ATOM 883 CG1 ILE A 75 -4.875 7.335 3.305 1.00 0.28 C ATOM 884 CG2 ILE A 75 -4.366 7.201 0.851 1.00 0.32 C ATOM 885 CD1 ILE A 75 -4.319 5.966 3.644 1.00 0.31 C ATOM 0 H ILE A 75 -3.271 9.531 3.940 1.00 0.24 H new ATOM 0 HA ILE A 75 -2.201 7.242 2.521 1.00 0.23 H new ATOM 0 HB ILE A 75 -4.634 8.995 1.968 1.00 0.27 H new ATOM 0 HG12 ILE A 75 -4.789 7.978 4.181 1.00 0.28 H new ATOM 0 HG13 ILE A 75 -5.938 7.239 3.083 1.00 0.28 H new ATOM 0 HG21 ILE A 75 -5.430 7.070 0.656 1.00 0.32 H new ATOM 0 HG22 ILE A 75 -3.905 7.723 0.012 1.00 0.32 H new ATOM 0 HG23 ILE A 75 -3.897 6.225 0.973 1.00 0.32 H new ATOM 0 HD11 ILE A 75 -4.864 5.552 4.492 1.00 0.31 H new ATOM 0 HD12 ILE A 75 -4.429 5.305 2.784 1.00 0.31 H new ATOM 0 HD13 ILE A 75 -3.263 6.055 3.900 1.00 0.31 H new ATOM 897 N PHE A 76 -1.442 8.209 0.339 1.00 0.27 N ATOM 898 CA PHE A 76 -0.779 8.781 -0.823 1.00 0.31 C ATOM 899 C PHE A 76 -1.381 8.207 -2.102 1.00 0.32 C ATOM 900 O PHE A 76 -1.856 7.068 -2.112 1.00 0.35 O ATOM 901 CB PHE A 76 0.725 8.486 -0.789 1.00 0.34 C ATOM 902 CG PHE A 76 1.432 9.025 0.422 1.00 0.39 C ATOM 903 CD1 PHE A 76 1.947 10.311 0.427 1.00 0.50 C ATOM 904 CD2 PHE A 76 1.589 8.239 1.551 1.00 0.40 C ATOM 905 CE1 PHE A 76 2.606 10.803 1.539 1.00 0.58 C ATOM 906 CE2 PHE A 76 2.245 8.726 2.667 1.00 0.50 C ATOM 907 CZ PHE A 76 2.756 10.008 2.659 1.00 0.58 C ATOM 0 H PHE A 76 -1.416 7.190 0.375 1.00 0.27 H new ATOM 0 HA PHE A 76 -0.926 9.861 -0.803 1.00 0.31 H new ATOM 0 HB2 PHE A 76 0.873 7.407 -0.832 1.00 0.34 H new ATOM 0 HB3 PHE A 76 1.187 8.907 -1.682 1.00 0.34 H new ATOM 0 HD1 PHE A 76 1.833 10.936 -0.446 1.00 0.50 H new ATOM 0 HD2 PHE A 76 1.195 7.234 1.560 1.00 0.40 H new ATOM 0 HE1 PHE A 76 3.003 11.807 1.532 1.00 0.58 H new ATOM 0 HE2 PHE A 76 2.357 8.104 3.543 1.00 0.50 H new ATOM 0 HZ PHE A 76 3.273 10.389 3.527 1.00 0.58 H new ATOM 917 N PRO A 77 -1.387 8.987 -3.193 1.00 0.36 N ATOM 918 CA PRO A 77 -1.926 8.539 -4.479 1.00 0.38 C ATOM 919 C PRO A 77 -1.132 7.377 -5.069 1.00 0.33 C ATOM 920 O PRO A 77 0.008 7.127 -4.671 1.00 0.33 O ATOM 921 CB PRO A 77 -1.801 9.775 -5.377 1.00 0.45 C ATOM 922 CG PRO A 77 -1.616 10.923 -4.453 1.00 0.55 C ATOM 923 CD PRO A 77 -0.891 10.372 -3.263 1.00 0.44 C ATOM 0 HA PRO A 77 -2.947 8.170 -4.380 1.00 0.38 H new ATOM 0 HB2 PRO A 77 -0.956 9.680 -6.059 1.00 0.45 H new ATOM 0 HB3 PRO A 77 -2.692 9.905 -5.991 1.00 0.45 H new ATOM 0 HG2 PRO A 77 -1.042 11.719 -4.927 1.00 0.55 H new ATOM 0 HG3 PRO A 77 -2.576 11.351 -4.163 1.00 0.55 H new ATOM 0 HD2 PRO A 77 0.190 10.408 -3.395 1.00 0.44 H new ATOM 0 HD3 PRO A 77 -1.120 10.930 -2.355 1.00 0.44 H new ATOM 931 N ASP A 78 -1.757 6.670 -6.020 1.00 0.40 N ATOM 932 CA ASP A 78 -1.157 5.513 -6.715 1.00 0.46 C ATOM 933 C ASP A 78 -0.653 4.466 -5.720 1.00 0.45 C ATOM 934 O ASP A 78 0.186 3.628 -6.062 1.00 0.60 O ATOM 935 CB ASP A 78 0.003 5.907 -7.677 1.00 0.53 C ATOM 936 CG ASP A 78 0.275 7.399 -7.774 1.00 0.98 C ATOM 937 OD1 ASP A 78 -0.535 8.115 -8.403 1.00 1.34 O ATOM 938 OD2 ASP A 78 1.309 7.858 -7.233 1.00 1.36 O ATOM 0 H ASP A 78 -2.703 6.884 -6.335 1.00 0.40 H new ATOM 0 HA ASP A 78 -1.959 5.090 -7.320 1.00 0.46 H new ATOM 0 HB2 ASP A 78 0.914 5.407 -7.348 1.00 0.53 H new ATOM 0 HB3 ASP A 78 -0.226 5.529 -8.673 1.00 0.53 H new ATOM 943 N ASP A 79 -1.176 4.487 -4.496 1.00 0.53 N ATOM 944 CA ASP A 79 -0.725 3.542 -3.484 1.00 0.61 C ATOM 945 C ASP A 79 -1.856 3.046 -2.587 1.00 0.59 C ATOM 946 O ASP A 79 -1.598 2.439 -1.548 1.00 1.11 O ATOM 947 CB ASP A 79 0.358 4.185 -2.622 1.00 0.80 C ATOM 948 CG ASP A 79 1.449 3.208 -2.257 1.00 1.12 C ATOM 949 OD1 ASP A 79 2.170 2.750 -3.180 1.00 1.44 O ATOM 950 OD2 ASP A 79 1.605 2.907 -1.059 1.00 1.74 O ATOM 0 H ASP A 79 -1.899 5.136 -4.187 1.00 0.53 H new ATOM 0 HA ASP A 79 -0.329 2.677 -4.015 1.00 0.61 H new ATOM 0 HB2 ASP A 79 0.793 5.029 -3.157 1.00 0.80 H new ATOM 0 HB3 ASP A 79 -0.092 4.582 -1.712 1.00 0.80 H new ATOM 955 N CYS A 80 -3.104 3.277 -2.973 1.00 0.50 N ATOM 956 CA CYS A 80 -4.229 2.832 -2.155 1.00 0.46 C ATOM 957 C CYS A 80 -5.444 2.466 -3.002 1.00 0.43 C ATOM 958 O CYS A 80 -5.627 2.984 -4.107 1.00 0.60 O ATOM 959 CB CYS A 80 -4.600 3.913 -1.135 1.00 0.63 C ATOM 960 SG CYS A 80 -3.424 4.053 0.231 1.00 0.90 S ATOM 0 H CYS A 80 -3.363 3.762 -3.832 1.00 0.50 H new ATOM 0 HA CYS A 80 -3.915 1.930 -1.629 1.00 0.46 H new ATOM 0 HB2 CYS A 80 -4.668 4.874 -1.645 1.00 0.63 H new ATOM 0 HB3 CYS A 80 -5.589 3.696 -0.731 1.00 0.63 H new ATOM 0 HG CYS A 80 -2.331 3.418 -0.071 1.00 0.90 H new ATOM 966 N GLU A 81 -6.253 1.553 -2.473 1.00 0.34 N ATOM 967 CA GLU A 81 -7.460 1.093 -3.141 1.00 0.39 C ATOM 968 C GLU A 81 -8.507 0.687 -2.104 1.00 0.36 C ATOM 969 O GLU A 81 -8.248 -0.159 -1.243 1.00 0.45 O ATOM 970 CB GLU A 81 -7.137 -0.088 -4.059 1.00 0.49 C ATOM 971 CG GLU A 81 -8.348 -0.639 -4.793 1.00 0.74 C ATOM 972 CD GLU A 81 -8.023 -1.880 -5.598 1.00 0.94 C ATOM 973 OE1 GLU A 81 -7.809 -2.948 -4.987 1.00 1.15 O ATOM 974 OE2 GLU A 81 -7.989 -1.795 -6.843 1.00 1.32 O ATOM 0 H GLU A 81 -6.088 1.112 -1.568 1.00 0.34 H new ATOM 0 HA GLU A 81 -7.861 1.905 -3.747 1.00 0.39 H new ATOM 0 HB2 GLU A 81 -6.391 0.225 -4.790 1.00 0.49 H new ATOM 0 HB3 GLU A 81 -6.688 -0.885 -3.467 1.00 0.49 H new ATOM 0 HG2 GLU A 81 -9.131 -0.873 -4.071 1.00 0.74 H new ATOM 0 HG3 GLU A 81 -8.746 0.128 -5.458 1.00 0.74 H new ATOM 981 N PHE A 82 -9.674 1.306 -2.180 1.00 0.34 N ATOM 982 CA PHE A 82 -10.762 1.018 -1.254 1.00 0.32 C ATOM 983 C PHE A 82 -11.907 0.326 -1.988 1.00 0.33 C ATOM 984 O PHE A 82 -12.531 0.917 -2.866 1.00 0.42 O ATOM 985 CB PHE A 82 -11.250 2.321 -0.606 1.00 0.35 C ATOM 986 CG PHE A 82 -12.312 2.139 0.442 1.00 0.34 C ATOM 987 CD1 PHE A 82 -12.091 1.322 1.537 1.00 0.43 C ATOM 988 CD2 PHE A 82 -13.523 2.799 0.336 1.00 0.44 C ATOM 989 CE1 PHE A 82 -13.058 1.167 2.508 1.00 0.48 C ATOM 990 CE2 PHE A 82 -14.497 2.644 1.304 1.00 0.47 C ATOM 991 CZ PHE A 82 -14.265 1.828 2.389 1.00 0.43 C ATOM 0 H PHE A 82 -9.895 2.016 -2.878 1.00 0.34 H new ATOM 0 HA PHE A 82 -10.400 0.350 -0.472 1.00 0.32 H new ATOM 0 HB2 PHE A 82 -10.397 2.829 -0.156 1.00 0.35 H new ATOM 0 HB3 PHE A 82 -11.636 2.977 -1.386 1.00 0.35 H new ATOM 0 HD1 PHE A 82 -11.150 0.800 1.632 1.00 0.43 H new ATOM 0 HD2 PHE A 82 -13.709 3.442 -0.512 1.00 0.44 H new ATOM 0 HE1 PHE A 82 -12.872 0.530 3.360 1.00 0.48 H new ATOM 0 HE2 PHE A 82 -15.440 3.162 1.210 1.00 0.47 H new ATOM 0 HZ PHE A 82 -15.026 1.705 3.146 1.00 0.43 H new ATOM 1001 N LYS A 83 -12.183 -0.920 -1.633 1.00 0.34 N ATOM 1002 CA LYS A 83 -13.251 -1.663 -2.290 1.00 0.38 C ATOM 1003 C LYS A 83 -14.123 -2.399 -1.281 1.00 0.37 C ATOM 1004 O LYS A 83 -13.843 -2.397 -0.084 1.00 0.38 O ATOM 1005 CB LYS A 83 -12.676 -2.644 -3.317 1.00 0.46 C ATOM 1006 CG LYS A 83 -11.545 -3.517 -2.793 1.00 0.53 C ATOM 1007 CD LYS A 83 -10.969 -4.381 -3.904 1.00 0.69 C ATOM 1008 CE LYS A 83 -9.859 -5.286 -3.401 1.00 1.06 C ATOM 1009 NZ LYS A 83 -8.615 -4.536 -3.084 1.00 1.44 N ATOM 0 H LYS A 83 -11.690 -1.434 -0.903 1.00 0.34 H new ATOM 0 HA LYS A 83 -13.881 -0.942 -2.811 1.00 0.38 H new ATOM 0 HB2 LYS A 83 -13.479 -3.288 -3.674 1.00 0.46 H new ATOM 0 HB3 LYS A 83 -12.314 -2.080 -4.176 1.00 0.46 H new ATOM 0 HG2 LYS A 83 -10.760 -2.889 -2.371 1.00 0.53 H new ATOM 0 HG3 LYS A 83 -11.913 -4.152 -1.987 1.00 0.53 H new ATOM 0 HD2 LYS A 83 -11.762 -4.988 -4.340 1.00 0.69 H new ATOM 0 HD3 LYS A 83 -10.584 -3.742 -4.698 1.00 0.69 H new ATOM 0 HE2 LYS A 83 -10.199 -5.813 -2.509 1.00 1.06 H new ATOM 0 HE3 LYS A 83 -9.642 -6.043 -4.155 1.00 1.06 H new ATOM 0 HZ1 LYS A 83 -7.794 -5.165 -3.192 1.00 1.44 H new ATOM 0 HZ2 LYS A 83 -8.521 -3.729 -3.734 1.00 1.44 H new ATOM 0 HZ3 LYS A 83 -8.659 -4.189 -2.105 1.00 1.44 H new ATOM 1023 N ARG A 84 -15.181 -3.022 -1.775 1.00 0.42 N ATOM 1024 CA ARG A 84 -16.114 -3.754 -0.931 1.00 0.43 C ATOM 1025 C ARG A 84 -15.770 -5.239 -0.905 1.00 0.44 C ATOM 1026 O ARG A 84 -15.064 -5.740 -1.782 1.00 0.49 O ATOM 1027 CB ARG A 84 -17.543 -3.564 -1.456 1.00 0.47 C ATOM 1028 CG ARG A 84 -18.624 -3.985 -0.473 1.00 0.57 C ATOM 1029 CD ARG A 84 -20.012 -3.856 -1.084 1.00 0.61 C ATOM 1030 NE ARG A 84 -20.338 -4.976 -1.970 1.00 0.71 N ATOM 1031 CZ ARG A 84 -21.513 -5.617 -1.975 1.00 0.78 C ATOM 1032 NH1 ARG A 84 -22.479 -5.260 -1.135 1.00 0.88 N ATOM 1033 NH2 ARG A 84 -21.715 -6.623 -2.816 1.00 0.96 N ATOM 0 H ARG A 84 -15.417 -3.035 -2.767 1.00 0.42 H new ATOM 0 HA ARG A 84 -16.041 -3.364 0.084 1.00 0.43 H new ATOM 0 HB2 ARG A 84 -17.688 -2.515 -1.713 1.00 0.47 H new ATOM 0 HB3 ARG A 84 -17.660 -4.136 -2.376 1.00 0.47 H new ATOM 0 HG2 ARG A 84 -18.455 -5.017 -0.164 1.00 0.57 H new ATOM 0 HG3 ARG A 84 -18.561 -3.370 0.424 1.00 0.57 H new ATOM 0 HD2 ARG A 84 -20.753 -3.799 -0.287 1.00 0.61 H new ATOM 0 HD3 ARG A 84 -20.074 -2.923 -1.644 1.00 0.61 H new ATOM 0 HE ARG A 84 -19.622 -5.288 -2.626 1.00 0.71 H new ATOM 0 HH11 ARG A 84 -22.328 -4.493 -0.480 1.00 0.88 H new ATOM 0 HH12 ARG A 84 -23.372 -5.753 -1.145 1.00 0.88 H new ATOM 0 HH21 ARG A 84 -20.975 -6.907 -3.458 1.00 0.96 H new ATOM 0 HH22 ARG A 84 -22.610 -7.112 -2.821 1.00 0.96 H new ATOM 1047 N VAL A 85 -16.244 -5.928 0.126 1.00 0.45 N ATOM 1048 CA VAL A 85 -16.035 -7.361 0.259 1.00 0.49 C ATOM 1049 C VAL A 85 -17.324 -8.089 -0.123 1.00 0.55 C ATOM 1050 O VAL A 85 -18.256 -8.175 0.677 1.00 0.59 O ATOM 1051 CB VAL A 85 -15.626 -7.757 1.695 1.00 0.52 C ATOM 1052 CG1 VAL A 85 -15.315 -9.245 1.778 1.00 0.61 C ATOM 1053 CG2 VAL A 85 -14.434 -6.938 2.160 1.00 0.50 C ATOM 0 H VAL A 85 -16.780 -5.511 0.887 1.00 0.45 H new ATOM 0 HA VAL A 85 -15.219 -7.647 -0.405 1.00 0.49 H new ATOM 0 HB VAL A 85 -16.467 -7.546 2.356 1.00 0.52 H new ATOM 0 HG11 VAL A 85 -15.029 -9.501 2.798 1.00 0.61 H new ATOM 0 HG12 VAL A 85 -16.198 -9.818 1.494 1.00 0.61 H new ATOM 0 HG13 VAL A 85 -14.495 -9.484 1.101 1.00 0.61 H new ATOM 0 HG21 VAL A 85 -14.163 -7.233 3.174 1.00 0.50 H new ATOM 0 HG22 VAL A 85 -13.590 -7.113 1.493 1.00 0.50 H new ATOM 0 HG23 VAL A 85 -14.693 -5.879 2.147 1.00 0.50 H new ATOM 1063 N PRO A 86 -17.398 -8.608 -1.359 1.00 0.61 N ATOM 1064 CA PRO A 86 -18.594 -9.300 -1.853 1.00 0.69 C ATOM 1065 C PRO A 86 -18.781 -10.679 -1.234 1.00 0.68 C ATOM 1066 O PRO A 86 -19.818 -11.315 -1.409 1.00 0.77 O ATOM 1067 CB PRO A 86 -18.334 -9.416 -3.353 1.00 0.81 C ATOM 1068 CG PRO A 86 -16.851 -9.409 -3.498 1.00 0.80 C ATOM 1069 CD PRO A 86 -16.320 -8.567 -2.371 1.00 0.64 C ATOM 0 HA PRO A 86 -19.507 -8.761 -1.600 1.00 0.69 H new ATOM 0 HB2 PRO A 86 -18.764 -10.333 -3.757 1.00 0.81 H new ATOM 0 HB3 PRO A 86 -18.786 -8.586 -3.896 1.00 0.81 H new ATOM 0 HG2 PRO A 86 -16.451 -10.422 -3.449 1.00 0.80 H new ATOM 0 HG3 PRO A 86 -16.557 -8.997 -4.463 1.00 0.80 H new ATOM 0 HD2 PRO A 86 -15.387 -8.969 -1.977 1.00 0.64 H new ATOM 0 HD3 PRO A 86 -16.116 -7.547 -2.696 1.00 0.64 H new ATOM 1077 N GLN A 87 -17.773 -11.136 -0.509 1.00 0.67 N ATOM 1078 CA GLN A 87 -17.831 -12.439 0.134 1.00 0.70 C ATOM 1079 C GLN A 87 -18.571 -12.362 1.464 1.00 0.70 C ATOM 1080 O GLN A 87 -18.937 -13.385 2.042 1.00 1.01 O ATOM 1081 CB GLN A 87 -16.422 -12.989 0.347 1.00 0.78 C ATOM 1082 CG GLN A 87 -15.631 -13.152 -0.940 1.00 0.91 C ATOM 1083 CD GLN A 87 -16.379 -13.948 -1.991 1.00 1.00 C ATOM 1084 OE1 GLN A 87 -17.067 -13.384 -2.839 1.00 1.05 O ATOM 1085 NE2 GLN A 87 -16.251 -15.261 -1.940 1.00 1.21 N ATOM 0 H GLN A 87 -16.905 -10.624 -0.351 1.00 0.67 H new ATOM 0 HA GLN A 87 -18.380 -13.114 -0.522 1.00 0.70 H new ATOM 0 HB2 GLN A 87 -15.878 -12.322 1.016 1.00 0.78 H new ATOM 0 HB3 GLN A 87 -16.490 -13.955 0.847 1.00 0.78 H new ATOM 0 HG2 GLN A 87 -15.389 -12.167 -1.340 1.00 0.91 H new ATOM 0 HG3 GLN A 87 -14.685 -13.647 -0.720 1.00 0.91 H new ATOM 0 HE21 GLN A 87 -15.670 -15.689 -1.219 1.00 1.21 H new ATOM 0 HE22 GLN A 87 -16.733 -15.847 -2.621 1.00 1.21 H new ATOM 1094 N CYS A 88 -18.793 -11.148 1.940 1.00 0.73 N ATOM 1095 CA CYS A 88 -19.491 -10.946 3.199 1.00 0.71 C ATOM 1096 C CYS A 88 -21.000 -10.910 2.964 1.00 0.71 C ATOM 1097 O CYS A 88 -21.480 -10.191 2.086 1.00 0.74 O ATOM 1098 CB CYS A 88 -19.023 -9.658 3.872 1.00 0.73 C ATOM 1099 SG CYS A 88 -19.003 -9.742 5.678 1.00 1.44 S ATOM 0 H CYS A 88 -18.501 -10.289 1.475 1.00 0.73 H new ATOM 0 HA CYS A 88 -19.261 -11.780 3.862 1.00 0.71 H new ATOM 0 HB2 CYS A 88 -18.020 -9.418 3.518 1.00 0.73 H new ATOM 0 HB3 CYS A 88 -19.674 -8.841 3.563 1.00 0.73 H new ATOM 0 HG CYS A 88 -20.057 -9.147 6.152 1.00 1.44 H new ATOM 1105 N PRO A 89 -21.761 -11.694 3.749 1.00 0.75 N ATOM 1106 CA PRO A 89 -23.224 -11.778 3.630 1.00 0.79 C ATOM 1107 C PRO A 89 -23.926 -10.425 3.751 1.00 0.74 C ATOM 1108 O PRO A 89 -24.885 -10.153 3.031 1.00 0.79 O ATOM 1109 CB PRO A 89 -23.627 -12.680 4.799 1.00 0.88 C ATOM 1110 CG PRO A 89 -22.411 -13.466 5.127 1.00 0.92 C ATOM 1111 CD PRO A 89 -21.247 -12.573 4.817 1.00 0.81 C ATOM 0 HA PRO A 89 -23.514 -12.153 2.648 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -23.957 -12.091 5.655 1.00 0.88 H new ATOM 0 HB3 PRO A 89 -24.455 -13.333 4.524 1.00 0.88 H new ATOM 0 HG2 PRO A 89 -22.408 -13.761 6.176 1.00 0.92 H new ATOM 0 HG3 PRO A 89 -22.368 -14.382 4.538 1.00 0.92 H new ATOM 0 HD2 PRO A 89 -20.935 -12.002 5.692 1.00 0.81 H new ATOM 0 HD3 PRO A 89 -20.380 -13.144 4.484 1.00 0.81 H new ATOM 1119 N SER A 90 -23.450 -9.582 4.662 1.00 0.71 N ATOM 1120 CA SER A 90 -24.044 -8.268 4.865 1.00 0.71 C ATOM 1121 C SER A 90 -23.786 -7.362 3.666 1.00 0.65 C ATOM 1122 O SER A 90 -24.652 -6.589 3.257 1.00 0.72 O ATOM 1123 CB SER A 90 -23.479 -7.638 6.137 1.00 0.75 C ATOM 1124 OG SER A 90 -22.107 -7.967 6.297 1.00 0.85 O ATOM 0 H SER A 90 -22.656 -9.786 5.269 1.00 0.71 H new ATOM 0 HA SER A 90 -25.122 -8.387 4.971 1.00 0.71 H new ATOM 0 HB2 SER A 90 -23.595 -6.555 6.094 1.00 0.75 H new ATOM 0 HB3 SER A 90 -24.044 -7.985 7.002 1.00 0.75 H new ATOM 0 HG SER A 90 -21.765 -7.553 7.116 1.00 0.85 H new ATOM 1130 N GLY A 91 -22.587 -7.463 3.112 1.00 0.60 N ATOM 1131 CA GLY A 91 -22.229 -6.657 1.959 1.00 0.60 C ATOM 1132 C GLY A 91 -21.932 -5.209 2.318 1.00 0.57 C ATOM 1133 O GLY A 91 -21.742 -4.372 1.438 1.00 0.64 O ATOM 0 H GLY A 91 -21.852 -8.090 3.440 1.00 0.60 H new ATOM 0 HA2 GLY A 91 -21.355 -7.093 1.475 1.00 0.60 H new ATOM 0 HA3 GLY A 91 -23.043 -6.687 1.234 1.00 0.60 H new ATOM 1137 N ARG A 92 -21.890 -4.908 3.610 1.00 0.52 N ATOM 1138 CA ARG A 92 -21.612 -3.548 4.061 1.00 0.51 C ATOM 1139 C ARG A 92 -20.190 -3.449 4.583 1.00 0.48 C ATOM 1140 O ARG A 92 -19.781 -2.429 5.145 1.00 0.48 O ATOM 1141 CB ARG A 92 -22.604 -3.115 5.139 1.00 0.54 C ATOM 1142 CG ARG A 92 -24.037 -3.071 4.646 1.00 0.58 C ATOM 1143 CD ARG A 92 -24.875 -2.111 5.470 1.00 0.61 C ATOM 1144 NE ARG A 92 -24.784 -0.735 4.975 1.00 0.59 N ATOM 1145 CZ ARG A 92 -25.307 0.312 5.609 1.00 0.59 C ATOM 1146 NH1 ARG A 92 -25.928 0.144 6.764 1.00 0.62 N ATOM 1147 NH2 ARG A 92 -25.227 1.527 5.080 1.00 0.60 N ATOM 0 H ARG A 92 -22.044 -5.581 4.360 1.00 0.52 H new ATOM 0 HA ARG A 92 -21.723 -2.877 3.209 1.00 0.51 H new ATOM 0 HB2 ARG A 92 -22.537 -3.802 5.983 1.00 0.54 H new ATOM 0 HB3 ARG A 92 -22.323 -2.129 5.508 1.00 0.54 H new ATOM 0 HG2 ARG A 92 -24.055 -2.766 3.600 1.00 0.58 H new ATOM 0 HG3 ARG A 92 -24.471 -4.070 4.694 1.00 0.58 H new ATOM 0 HD2 ARG A 92 -25.916 -2.433 5.454 1.00 0.61 H new ATOM 0 HD3 ARG A 92 -24.547 -2.144 6.509 1.00 0.61 H new ATOM 0 HE ARG A 92 -24.293 -0.570 4.096 1.00 0.59 H new ATOM 0 HH11 ARG A 92 -26.007 -0.788 7.170 1.00 0.62 H new ATOM 0 HH12 ARG A 92 -26.328 0.947 7.249 1.00 0.62 H new ATOM 0 HH21 ARG A 92 -24.763 1.663 4.182 1.00 0.60 H new ATOM 0 HH22 ARG A 92 -25.630 2.325 5.571 1.00 0.60 H new ATOM 1161 N VAL A 93 -19.444 -4.525 4.396 1.00 0.47 N ATOM 1162 CA VAL A 93 -18.062 -4.580 4.824 1.00 0.45 C ATOM 1163 C VAL A 93 -17.146 -4.169 3.680 1.00 0.41 C ATOM 1164 O VAL A 93 -17.164 -4.772 2.604 1.00 0.43 O ATOM 1165 CB VAL A 93 -17.679 -5.993 5.316 1.00 0.48 C ATOM 1166 CG1 VAL A 93 -16.203 -6.067 5.688 1.00 0.47 C ATOM 1167 CG2 VAL A 93 -18.546 -6.394 6.500 1.00 0.56 C ATOM 0 H VAL A 93 -19.779 -5.377 3.947 1.00 0.47 H new ATOM 0 HA VAL A 93 -17.942 -3.887 5.656 1.00 0.45 H new ATOM 0 HB VAL A 93 -17.854 -6.693 4.499 1.00 0.48 H new ATOM 0 HG11 VAL A 93 -15.964 -7.074 6.031 1.00 0.47 H new ATOM 0 HG12 VAL A 93 -15.595 -5.827 4.816 1.00 0.47 H new ATOM 0 HG13 VAL A 93 -15.992 -5.353 6.484 1.00 0.47 H new ATOM 0 HG21 VAL A 93 -18.264 -7.392 6.836 1.00 0.56 H new ATOM 0 HG22 VAL A 93 -18.402 -5.683 7.314 1.00 0.56 H new ATOM 0 HG23 VAL A 93 -19.594 -6.394 6.200 1.00 0.56 H new ATOM 1177 N TYR A 94 -16.370 -3.129 3.914 1.00 0.39 N ATOM 1178 CA TYR A 94 -15.444 -2.618 2.920 1.00 0.37 C ATOM 1179 C TYR A 94 -14.022 -2.783 3.428 1.00 0.35 C ATOM 1180 O TYR A 94 -13.809 -2.972 4.629 1.00 0.37 O ATOM 1181 CB TYR A 94 -15.738 -1.147 2.619 1.00 0.38 C ATOM 1182 CG TYR A 94 -17.006 -0.912 1.820 1.00 0.41 C ATOM 1183 CD1 TYR A 94 -18.263 -1.143 2.370 1.00 0.44 C ATOM 1184 CD2 TYR A 94 -16.946 -0.445 0.514 1.00 0.42 C ATOM 1185 CE1 TYR A 94 -19.418 -0.919 1.642 1.00 0.47 C ATOM 1186 CE2 TYR A 94 -18.095 -0.220 -0.220 1.00 0.46 C ATOM 1187 CZ TYR A 94 -19.328 -0.457 0.347 1.00 0.48 C ATOM 1188 OH TYR A 94 -20.473 -0.237 -0.383 1.00 0.53 O ATOM 0 H TYR A 94 -16.363 -2.615 4.795 1.00 0.39 H new ATOM 0 HA TYR A 94 -15.563 -3.181 1.995 1.00 0.37 H new ATOM 0 HB2 TYR A 94 -15.811 -0.604 3.561 1.00 0.38 H new ATOM 0 HB3 TYR A 94 -14.895 -0.725 2.072 1.00 0.38 H new ATOM 0 HD1 TYR A 94 -18.339 -1.504 3.385 1.00 0.44 H new ATOM 0 HD2 TYR A 94 -15.983 -0.254 0.063 1.00 0.42 H new ATOM 0 HE1 TYR A 94 -20.385 -1.105 2.086 1.00 0.47 H new ATOM 0 HE2 TYR A 94 -18.027 0.141 -1.236 1.00 0.46 H new ATOM 0 HH TYR A 94 -20.396 -0.680 -1.254 1.00 0.53 H new ATOM 1198 N VAL A 95 -13.055 -2.719 2.530 1.00 0.34 N ATOM 1199 CA VAL A 95 -11.665 -2.881 2.915 1.00 0.33 C ATOM 1200 C VAL A 95 -10.745 -1.930 2.153 1.00 0.31 C ATOM 1201 O VAL A 95 -10.836 -1.789 0.929 1.00 0.31 O ATOM 1202 CB VAL A 95 -11.191 -4.340 2.709 1.00 0.36 C ATOM 1203 CG1 VAL A 95 -11.416 -4.791 1.272 1.00 0.38 C ATOM 1204 CG2 VAL A 95 -9.727 -4.499 3.099 1.00 0.38 C ATOM 0 H VAL A 95 -13.206 -2.557 1.534 1.00 0.34 H new ATOM 0 HA VAL A 95 -11.607 -2.635 3.975 1.00 0.33 H new ATOM 0 HB VAL A 95 -11.787 -4.978 3.361 1.00 0.36 H new ATOM 0 HG11 VAL A 95 -11.074 -5.819 1.156 1.00 0.38 H new ATOM 0 HG12 VAL A 95 -12.478 -4.733 1.034 1.00 0.38 H new ATOM 0 HG13 VAL A 95 -10.857 -4.144 0.596 1.00 0.38 H new ATOM 0 HG21 VAL A 95 -9.420 -5.533 2.945 1.00 0.38 H new ATOM 0 HG22 VAL A 95 -9.113 -3.842 2.483 1.00 0.38 H new ATOM 0 HG23 VAL A 95 -9.599 -4.235 4.149 1.00 0.38 H new ATOM 1214 N LEU A 96 -9.884 -1.258 2.902 1.00 0.31 N ATOM 1215 CA LEU A 96 -8.906 -0.345 2.336 1.00 0.30 C ATOM 1216 C LEU A 96 -7.540 -1.010 2.377 1.00 0.30 C ATOM 1217 O LEU A 96 -7.012 -1.295 3.455 1.00 0.38 O ATOM 1218 CB LEU A 96 -8.871 0.976 3.115 1.00 0.34 C ATOM 1219 CG LEU A 96 -7.759 1.951 2.711 1.00 0.37 C ATOM 1220 CD1 LEU A 96 -8.009 2.505 1.316 1.00 0.43 C ATOM 1221 CD2 LEU A 96 -7.649 3.085 3.719 1.00 0.44 C ATOM 0 H LEU A 96 -9.845 -1.331 3.919 1.00 0.31 H new ATOM 0 HA LEU A 96 -9.183 -0.117 1.307 1.00 0.30 H new ATOM 0 HB2 LEU A 96 -9.832 1.476 2.991 1.00 0.34 H new ATOM 0 HB3 LEU A 96 -8.764 0.749 4.176 1.00 0.34 H new ATOM 0 HG LEU A 96 -6.816 1.405 2.700 1.00 0.37 H new ATOM 0 HD11 LEU A 96 -7.208 3.195 1.049 1.00 0.43 H new ATOM 0 HD12 LEU A 96 -8.036 1.685 0.598 1.00 0.43 H new ATOM 0 HD13 LEU A 96 -8.963 3.033 1.300 1.00 0.43 H new ATOM 0 HD21 LEU A 96 -6.854 3.766 3.415 1.00 0.44 H new ATOM 0 HD22 LEU A 96 -8.594 3.626 3.762 1.00 0.44 H new ATOM 0 HD23 LEU A 96 -7.419 2.676 4.703 1.00 0.44 H new ATOM 1233 N LYS A 97 -6.984 -1.289 1.212 1.00 0.29 N ATOM 1234 CA LYS A 97 -5.687 -1.933 1.143 1.00 0.33 C ATOM 1235 C LYS A 97 -4.669 -1.032 0.468 1.00 0.26 C ATOM 1236 O LYS A 97 -4.973 -0.359 -0.521 1.00 0.32 O ATOM 1237 CB LYS A 97 -5.775 -3.261 0.387 1.00 0.45 C ATOM 1238 CG LYS A 97 -4.472 -4.053 0.406 1.00 0.51 C ATOM 1239 CD LYS A 97 -4.378 -5.025 -0.760 1.00 0.74 C ATOM 1240 CE LYS A 97 -3.065 -5.793 -0.737 1.00 0.80 C ATOM 1241 NZ LYS A 97 -1.894 -4.906 -0.975 1.00 0.89 N ATOM 0 H LYS A 97 -7.407 -1.081 0.307 1.00 0.29 H new ATOM 0 HA LYS A 97 -5.364 -2.128 2.166 1.00 0.33 H new ATOM 0 HB2 LYS A 97 -6.568 -3.868 0.824 1.00 0.45 H new ATOM 0 HB3 LYS A 97 -6.058 -3.064 -0.647 1.00 0.45 H new ATOM 0 HG2 LYS A 97 -3.628 -3.364 0.372 1.00 0.51 H new ATOM 0 HG3 LYS A 97 -4.396 -4.603 1.344 1.00 0.51 H new ATOM 0 HD2 LYS A 97 -5.212 -5.726 -0.720 1.00 0.74 H new ATOM 0 HD3 LYS A 97 -4.466 -4.479 -1.699 1.00 0.74 H new ATOM 0 HE2 LYS A 97 -2.953 -6.290 0.227 1.00 0.80 H new ATOM 0 HE3 LYS A 97 -3.089 -6.574 -1.497 1.00 0.80 H new ATOM 0 HZ1 LYS A 97 -1.426 -5.180 -1.863 1.00 0.89 H new ATOM 0 HZ2 LYS A 97 -2.214 -3.919 -1.042 1.00 0.89 H new ATOM 0 HZ3 LYS A 97 -1.222 -4.999 -0.187 1.00 0.89 H new ATOM 1255 N PHE A 98 -3.468 -1.017 1.015 1.00 0.29 N ATOM 1256 CA PHE A 98 -2.389 -0.232 0.458 1.00 0.30 C ATOM 1257 C PHE A 98 -1.778 -0.995 -0.709 1.00 0.33 C ATOM 1258 O PHE A 98 -1.672 -2.219 -0.663 1.00 0.45 O ATOM 1259 CB PHE A 98 -1.331 0.056 1.525 1.00 0.39 C ATOM 1260 CG PHE A 98 -1.817 0.952 2.630 1.00 0.44 C ATOM 1261 CD1 PHE A 98 -2.544 0.440 3.691 1.00 0.61 C ATOM 1262 CD2 PHE A 98 -1.544 2.310 2.605 1.00 0.57 C ATOM 1263 CE1 PHE A 98 -2.990 1.265 4.707 1.00 0.76 C ATOM 1264 CE2 PHE A 98 -1.984 3.139 3.617 1.00 0.72 C ATOM 1265 CZ PHE A 98 -2.708 2.617 4.671 1.00 0.77 C ATOM 0 H PHE A 98 -3.217 -1.545 1.851 1.00 0.29 H new ATOM 0 HA PHE A 98 -2.776 0.724 0.105 1.00 0.30 H new ATOM 0 HB2 PHE A 98 -0.995 -0.887 1.955 1.00 0.39 H new ATOM 0 HB3 PHE A 98 -0.465 0.516 1.050 1.00 0.39 H new ATOM 0 HD1 PHE A 98 -2.765 -0.616 3.726 1.00 0.61 H new ATOM 0 HD2 PHE A 98 -0.980 2.725 1.783 1.00 0.57 H new ATOM 0 HE1 PHE A 98 -3.558 0.853 5.528 1.00 0.76 H new ATOM 0 HE2 PHE A 98 -1.762 4.195 3.585 1.00 0.72 H new ATOM 0 HZ PHE A 98 -3.053 3.264 5.464 1.00 0.77 H new ATOM 1275 N LYS A 99 -1.379 -0.280 -1.750 1.00 0.40 N ATOM 1276 CA LYS A 99 -0.796 -0.912 -2.928 1.00 0.48 C ATOM 1277 C LYS A 99 0.709 -1.092 -2.768 1.00 0.54 C ATOM 1278 O LYS A 99 1.419 -1.395 -3.726 1.00 0.82 O ATOM 1279 CB LYS A 99 -1.102 -0.100 -4.183 1.00 0.54 C ATOM 1280 CG LYS A 99 -2.494 -0.339 -4.739 1.00 0.70 C ATOM 1281 CD LYS A 99 -2.607 0.168 -6.167 1.00 0.73 C ATOM 1282 CE LYS A 99 -3.858 -0.363 -6.848 1.00 0.91 C ATOM 1283 NZ LYS A 99 -3.799 -0.198 -8.324 1.00 1.11 N ATOM 0 H LYS A 99 -1.447 0.736 -1.805 1.00 0.40 H new ATOM 0 HA LYS A 99 -1.247 -1.899 -3.033 1.00 0.48 H new ATOM 0 HB2 LYS A 99 -0.988 0.960 -3.956 1.00 0.54 H new ATOM 0 HB3 LYS A 99 -0.367 -0.343 -4.950 1.00 0.54 H new ATOM 0 HG2 LYS A 99 -2.723 -1.404 -4.709 1.00 0.70 H new ATOM 0 HG3 LYS A 99 -3.231 0.163 -4.112 1.00 0.70 H new ATOM 0 HD2 LYS A 99 -2.626 1.258 -6.167 1.00 0.73 H new ATOM 0 HD3 LYS A 99 -1.726 -0.136 -6.733 1.00 0.73 H new ATOM 0 HE2 LYS A 99 -3.983 -1.418 -6.606 1.00 0.91 H new ATOM 0 HE3 LYS A 99 -4.732 0.159 -6.459 1.00 0.91 H new ATOM 0 HZ1 LYS A 99 -4.671 -0.572 -8.750 1.00 1.11 H new ATOM 0 HZ2 LYS A 99 -3.705 0.811 -8.557 1.00 1.11 H new ATOM 0 HZ3 LYS A 99 -2.980 -0.717 -8.699 1.00 1.11 H new ATOM 1297 N ALA A 100 1.181 -0.881 -1.554 1.00 0.55 N ATOM 1298 CA ALA A 100 2.586 -1.044 -1.226 1.00 0.63 C ATOM 1299 C ALA A 100 2.706 -1.496 0.220 1.00 0.62 C ATOM 1300 O ALA A 100 3.705 -1.242 0.894 1.00 1.36 O ATOM 1301 CB ALA A 100 3.348 0.253 -1.460 1.00 0.89 C ATOM 0 H ALA A 100 0.601 -0.592 -0.766 1.00 0.55 H new ATOM 0 HA ALA A 100 3.027 -1.801 -1.875 1.00 0.63 H new ATOM 0 HB1 ALA A 100 4.399 0.108 -1.208 1.00 0.89 H new ATOM 0 HB2 ALA A 100 3.263 0.541 -2.508 1.00 0.89 H new ATOM 0 HB3 ALA A 100 2.929 1.039 -0.832 1.00 0.89 H new ATOM 1307 N GLY A 101 1.670 -2.182 0.683 1.00 0.78 N ATOM 1308 CA GLY A 101 1.635 -2.665 2.043 1.00 0.83 C ATOM 1309 C GLY A 101 0.678 -3.825 2.201 1.00 0.73 C ATOM 1310 O GLY A 101 -0.285 -3.954 1.443 1.00 1.06 O ATOM 0 H GLY A 101 0.845 -2.413 0.130 1.00 0.78 H new ATOM 0 HA2 GLY A 101 2.635 -2.975 2.345 1.00 0.83 H new ATOM 0 HA3 GLY A 101 1.338 -1.855 2.709 1.00 0.83 H new ATOM 1314 N SER A 102 0.938 -4.666 3.188 1.00 0.51 N ATOM 1315 CA SER A 102 0.111 -5.831 3.451 1.00 0.48 C ATOM 1316 C SER A 102 -1.013 -5.487 4.430 1.00 0.52 C ATOM 1317 O SER A 102 -1.806 -6.346 4.811 1.00 1.13 O ATOM 1318 CB SER A 102 0.987 -6.946 4.022 1.00 0.60 C ATOM 1319 OG SER A 102 1.996 -6.401 4.859 1.00 1.00 O ATOM 0 H SER A 102 1.726 -4.561 3.827 1.00 0.51 H new ATOM 0 HA SER A 102 -0.345 -6.164 2.519 1.00 0.48 H new ATOM 0 HB2 SER A 102 0.373 -7.645 4.589 1.00 0.60 H new ATOM 0 HB3 SER A 102 1.445 -7.510 3.209 1.00 0.60 H new ATOM 0 HG SER A 102 2.549 -7.126 5.219 1.00 1.00 H new ATOM 1325 N LYS A 103 -1.062 -4.224 4.829 1.00 0.42 N ATOM 1326 CA LYS A 103 -2.064 -3.736 5.765 1.00 0.42 C ATOM 1327 C LYS A 103 -3.445 -3.671 5.116 1.00 0.39 C ATOM 1328 O LYS A 103 -3.617 -3.076 4.048 1.00 0.44 O ATOM 1329 CB LYS A 103 -1.648 -2.352 6.271 1.00 0.52 C ATOM 1330 CG LYS A 103 -2.547 -1.783 7.357 1.00 0.60 C ATOM 1331 CD LYS A 103 -2.042 -0.430 7.835 1.00 0.79 C ATOM 1332 CE LYS A 103 -3.008 0.220 8.816 1.00 0.93 C ATOM 1333 NZ LYS A 103 -3.095 -0.534 10.096 1.00 1.17 N ATOM 0 H LYS A 103 -0.408 -3.508 4.513 1.00 0.42 H new ATOM 0 HA LYS A 103 -2.128 -4.430 6.603 1.00 0.42 H new ATOM 0 HB2 LYS A 103 -0.629 -2.410 6.653 1.00 0.52 H new ATOM 0 HB3 LYS A 103 -1.634 -1.660 5.429 1.00 0.52 H new ATOM 0 HG2 LYS A 103 -3.563 -1.681 6.976 1.00 0.60 H new ATOM 0 HG3 LYS A 103 -2.590 -2.476 8.197 1.00 0.60 H new ATOM 0 HD2 LYS A 103 -1.069 -0.553 8.310 1.00 0.79 H new ATOM 0 HD3 LYS A 103 -1.897 0.227 6.978 1.00 0.79 H new ATOM 0 HE2 LYS A 103 -2.686 1.242 9.018 1.00 0.93 H new ATOM 0 HE3 LYS A 103 -3.998 0.281 8.363 1.00 0.93 H new ATOM 0 HZ1 LYS A 103 -3.737 -0.039 10.747 1.00 1.17 H new ATOM 0 HZ2 LYS A 103 -3.459 -1.491 9.911 1.00 1.17 H new ATOM 0 HZ3 LYS A 103 -2.150 -0.600 10.525 1.00 1.17 H new ATOM 1347 N ARG A 104 -4.419 -4.310 5.758 1.00 0.37 N ATOM 1348 CA ARG A 104 -5.793 -4.321 5.270 1.00 0.38 C ATOM 1349 C ARG A 104 -6.727 -3.740 6.327 1.00 0.37 C ATOM 1350 O ARG A 104 -6.840 -4.283 7.426 1.00 0.51 O ATOM 1351 CB ARG A 104 -6.251 -5.744 4.932 1.00 0.47 C ATOM 1352 CG ARG A 104 -5.784 -6.251 3.575 1.00 0.63 C ATOM 1353 CD ARG A 104 -4.496 -7.044 3.688 1.00 0.86 C ATOM 1354 NE ARG A 104 -4.434 -8.130 2.710 1.00 1.11 N ATOM 1355 CZ ARG A 104 -3.425 -8.997 2.613 1.00 1.40 C ATOM 1356 NH1 ARG A 104 -2.382 -8.901 3.429 1.00 1.85 N ATOM 1357 NH2 ARG A 104 -3.455 -9.952 1.692 1.00 1.70 N ATOM 0 H ARG A 104 -4.279 -4.830 6.624 1.00 0.37 H new ATOM 0 HA ARG A 104 -5.828 -3.715 4.365 1.00 0.38 H new ATOM 0 HB2 ARG A 104 -5.888 -6.422 5.704 1.00 0.47 H new ATOM 0 HB3 ARG A 104 -7.340 -5.779 4.964 1.00 0.47 H new ATOM 0 HG2 ARG A 104 -6.560 -6.877 3.133 1.00 0.63 H new ATOM 0 HG3 ARG A 104 -5.634 -5.406 2.902 1.00 0.63 H new ATOM 0 HD2 ARG A 104 -3.646 -6.377 3.544 1.00 0.86 H new ATOM 0 HD3 ARG A 104 -4.411 -7.456 4.693 1.00 0.86 H new ATOM 0 HE ARG A 104 -5.213 -8.231 2.060 1.00 1.11 H new ATOM 0 HH11 ARG A 104 -2.351 -8.163 4.132 1.00 1.85 H new ATOM 0 HH12 ARG A 104 -1.612 -9.565 3.353 1.00 1.85 H new ATOM 0 HH21 ARG A 104 -4.250 -10.024 1.057 1.00 1.70 H new ATOM 0 HH22 ARG A 104 -2.683 -10.614 1.619 1.00 1.70 H new ATOM 1371 N LEU A 105 -7.384 -2.640 6.000 1.00 0.33 N ATOM 1372 CA LEU A 105 -8.301 -2.000 6.930 1.00 0.34 C ATOM 1373 C LEU A 105 -9.743 -2.345 6.586 1.00 0.33 C ATOM 1374 O LEU A 105 -10.237 -1.982 5.519 1.00 0.39 O ATOM 1375 CB LEU A 105 -8.096 -0.483 6.908 1.00 0.37 C ATOM 1376 CG LEU A 105 -6.795 0.001 7.551 1.00 0.50 C ATOM 1377 CD1 LEU A 105 -6.556 1.468 7.240 1.00 0.70 C ATOM 1378 CD2 LEU A 105 -6.828 -0.220 9.053 1.00 0.82 C ATOM 0 H LEU A 105 -7.300 -2.171 5.098 1.00 0.33 H new ATOM 0 HA LEU A 105 -8.092 -2.370 7.934 1.00 0.34 H new ATOM 0 HB2 LEU A 105 -8.121 -0.143 5.873 1.00 0.37 H new ATOM 0 HB3 LEU A 105 -8.935 -0.010 7.419 1.00 0.37 H new ATOM 0 HG LEU A 105 -5.973 -0.579 7.132 1.00 0.50 H new ATOM 0 HD11 LEU A 105 -5.626 1.792 7.707 1.00 0.70 H new ATOM 0 HD12 LEU A 105 -6.487 1.605 6.161 1.00 0.70 H new ATOM 0 HD13 LEU A 105 -7.383 2.062 7.629 1.00 0.70 H new ATOM 0 HD21 LEU A 105 -5.894 0.130 9.493 1.00 0.82 H new ATOM 0 HD22 LEU A 105 -7.662 0.333 9.484 1.00 0.82 H new ATOM 0 HD23 LEU A 105 -6.951 -1.283 9.262 1.00 0.82 H new ATOM 1390 N PHE A 106 -10.408 -3.062 7.483 1.00 0.34 N ATOM 1391 CA PHE A 106 -11.795 -3.463 7.268 1.00 0.34 C ATOM 1392 C PHE A 106 -12.752 -2.546 8.028 1.00 0.35 C ATOM 1393 O PHE A 106 -12.518 -2.221 9.194 1.00 0.37 O ATOM 1394 CB PHE A 106 -12.002 -4.913 7.715 1.00 0.38 C ATOM 1395 CG PHE A 106 -11.350 -5.928 6.818 1.00 0.40 C ATOM 1396 CD1 PHE A 106 -12.035 -6.459 5.737 1.00 0.44 C ATOM 1397 CD2 PHE A 106 -10.054 -6.353 7.061 1.00 0.46 C ATOM 1398 CE1 PHE A 106 -11.437 -7.398 4.914 1.00 0.50 C ATOM 1399 CE2 PHE A 106 -9.451 -7.289 6.241 1.00 0.52 C ATOM 1400 CZ PHE A 106 -10.144 -7.812 5.167 1.00 0.52 C ATOM 0 H PHE A 106 -10.010 -3.379 8.367 1.00 0.34 H new ATOM 0 HA PHE A 106 -12.010 -3.381 6.202 1.00 0.34 H new ATOM 0 HB2 PHE A 106 -11.610 -5.031 8.725 1.00 0.38 H new ATOM 0 HB3 PHE A 106 -13.071 -5.119 7.762 1.00 0.38 H new ATOM 0 HD1 PHE A 106 -13.046 -6.137 5.534 1.00 0.44 H new ATOM 0 HD2 PHE A 106 -9.508 -5.949 7.901 1.00 0.46 H new ATOM 0 HE1 PHE A 106 -11.981 -7.806 4.075 1.00 0.50 H new ATOM 0 HE2 PHE A 106 -8.439 -7.611 6.440 1.00 0.52 H new ATOM 0 HZ PHE A 106 -9.675 -8.544 4.526 1.00 0.52 H new ATOM 1410 N PHE A 107 -13.826 -2.132 7.364 1.00 0.35 N ATOM 1411 CA PHE A 107 -14.820 -1.249 7.972 1.00 0.37 C ATOM 1412 C PHE A 107 -16.234 -1.676 7.586 1.00 0.39 C ATOM 1413 O PHE A 107 -16.462 -2.156 6.474 1.00 0.48 O ATOM 1414 CB PHE A 107 -14.619 0.200 7.517 1.00 0.36 C ATOM 1415 CG PHE A 107 -13.245 0.752 7.759 1.00 0.35 C ATOM 1416 CD1 PHE A 107 -12.897 1.261 8.999 1.00 0.41 C ATOM 1417 CD2 PHE A 107 -12.307 0.770 6.741 1.00 0.38 C ATOM 1418 CE1 PHE A 107 -11.636 1.775 9.218 1.00 0.46 C ATOM 1419 CE2 PHE A 107 -11.046 1.281 6.955 1.00 0.43 C ATOM 1420 CZ PHE A 107 -10.708 1.784 8.194 1.00 0.46 C ATOM 0 H PHE A 107 -14.033 -2.394 6.400 1.00 0.35 H new ATOM 0 HA PHE A 107 -14.691 -1.319 9.052 1.00 0.37 H new ATOM 0 HB2 PHE A 107 -14.839 0.265 6.451 1.00 0.36 H new ATOM 0 HB3 PHE A 107 -15.344 0.831 8.031 1.00 0.36 H new ATOM 0 HD1 PHE A 107 -13.619 1.255 9.802 1.00 0.41 H new ATOM 0 HD2 PHE A 107 -12.567 0.379 5.768 1.00 0.38 H new ATOM 0 HE1 PHE A 107 -11.374 2.170 10.188 1.00 0.46 H new ATOM 0 HE2 PHE A 107 -10.322 1.288 6.153 1.00 0.43 H new ATOM 0 HZ PHE A 107 -9.719 2.184 8.364 1.00 0.46 H new ATOM 1430 N TRP A 108 -17.180 -1.492 8.493 1.00 0.41 N ATOM 1431 CA TRP A 108 -18.568 -1.826 8.218 1.00 0.43 C ATOM 1432 C TRP A 108 -19.421 -0.561 8.321 1.00 0.45 C ATOM 1433 O TRP A 108 -19.360 0.163 9.317 1.00 0.45 O ATOM 1434 CB TRP A 108 -19.085 -2.954 9.133 1.00 0.45 C ATOM 1435 CG TRP A 108 -19.073 -2.655 10.605 1.00 0.48 C ATOM 1436 CD1 TRP A 108 -17.998 -2.697 11.445 1.00 0.51 C ATOM 1437 CD2 TRP A 108 -20.202 -2.312 11.415 1.00 0.55 C ATOM 1438 NE1 TRP A 108 -18.389 -2.383 12.726 1.00 0.58 N ATOM 1439 CE2 TRP A 108 -19.736 -2.145 12.732 1.00 0.60 C ATOM 1440 CE3 TRP A 108 -21.561 -2.126 11.153 1.00 0.61 C ATOM 1441 CZ2 TRP A 108 -20.582 -1.799 13.783 1.00 0.70 C ATOM 1442 CZ3 TRP A 108 -22.399 -1.784 12.196 1.00 0.70 C ATOM 1443 CH2 TRP A 108 -21.907 -1.623 13.499 1.00 0.74 C ATOM 0 H TRP A 108 -17.012 -1.114 9.425 1.00 0.41 H new ATOM 0 HA TRP A 108 -18.642 -2.215 7.202 1.00 0.43 H new ATOM 0 HB2 TRP A 108 -20.106 -3.197 8.838 1.00 0.45 H new ATOM 0 HB3 TRP A 108 -18.482 -3.845 8.957 1.00 0.45 H new ATOM 0 HD1 TRP A 108 -16.989 -2.941 11.148 1.00 0.51 H new ATOM 0 HE1 TRP A 108 -17.775 -2.335 13.539 1.00 0.58 H new ATOM 0 HE3 TRP A 108 -21.950 -2.247 10.153 1.00 0.61 H new ATOM 0 HZ2 TRP A 108 -20.204 -1.674 14.787 1.00 0.70 H new ATOM 0 HZ3 TRP A 108 -23.452 -1.638 12.005 1.00 0.70 H new ATOM 0 HH2 TRP A 108 -22.588 -1.355 14.293 1.00 0.74 H new ATOM 1454 N MET A 109 -20.187 -0.293 7.267 1.00 0.46 N ATOM 1455 CA MET A 109 -21.030 0.905 7.195 1.00 0.48 C ATOM 1456 C MET A 109 -22.076 0.942 8.306 1.00 0.50 C ATOM 1457 O MET A 109 -22.765 -0.046 8.557 1.00 0.51 O ATOM 1458 CB MET A 109 -21.735 0.986 5.836 1.00 0.50 C ATOM 1459 CG MET A 109 -20.795 1.185 4.655 1.00 0.50 C ATOM 1460 SD MET A 109 -19.783 2.668 4.813 1.00 0.58 S ATOM 1461 CE MET A 109 -19.065 2.752 3.174 1.00 0.60 C ATOM 0 H MET A 109 -20.244 -0.892 6.443 1.00 0.46 H new ATOM 0 HA MET A 109 -20.369 1.762 7.322 1.00 0.48 H new ATOM 0 HB2 MET A 109 -22.306 0.071 5.681 1.00 0.50 H new ATOM 0 HB3 MET A 109 -22.450 1.808 5.859 1.00 0.50 H new ATOM 0 HG2 MET A 109 -20.145 0.315 4.563 1.00 0.50 H new ATOM 0 HG3 MET A 109 -21.379 1.245 3.737 1.00 0.50 H new ATOM 0 HE1 MET A 109 -18.409 3.620 3.108 1.00 0.60 H new ATOM 0 HE2 MET A 109 -18.489 1.847 2.982 1.00 0.60 H new ATOM 0 HE3 MET A 109 -19.859 2.840 2.433 1.00 0.60 H new ATOM 1471 N GLN A 110 -22.189 2.093 8.961 1.00 0.51 N ATOM 1472 CA GLN A 110 -23.162 2.275 10.032 1.00 0.53 C ATOM 1473 C GLN A 110 -24.289 3.191 9.564 1.00 0.56 C ATOM 1474 O GLN A 110 -25.196 3.522 10.331 1.00 0.61 O ATOM 1475 CB GLN A 110 -22.504 2.868 11.281 1.00 0.53 C ATOM 1476 CG GLN A 110 -21.522 1.933 11.966 1.00 0.51 C ATOM 1477 CD GLN A 110 -21.039 2.473 13.297 1.00 0.52 C ATOM 1478 OE1 GLN A 110 -21.022 3.685 13.527 1.00 0.55 O ATOM 1479 NE2 GLN A 110 -20.644 1.578 14.186 1.00 0.53 N ATOM 0 H GLN A 110 -21.617 2.915 8.768 1.00 0.51 H new ATOM 0 HA GLN A 110 -23.568 1.296 10.288 1.00 0.53 H new ATOM 0 HB2 GLN A 110 -21.984 3.785 11.004 1.00 0.53 H new ATOM 0 HB3 GLN A 110 -23.282 3.145 11.992 1.00 0.53 H new ATOM 0 HG2 GLN A 110 -21.996 0.964 12.121 1.00 0.51 H new ATOM 0 HG3 GLN A 110 -20.666 1.768 11.312 1.00 0.51 H new ATOM 0 HE21 GLN A 110 -20.673 0.584 13.957 1.00 0.53 H new ATOM 0 HE22 GLN A 110 -20.310 1.881 15.101 1.00 0.53 H new ATOM 1488 N GLU A 111 -24.211 3.602 8.302 1.00 0.57 N ATOM 1489 CA GLU A 111 -25.214 4.475 7.704 1.00 0.60 C ATOM 1490 C GLU A 111 -26.580 3.787 7.697 1.00 0.63 C ATOM 1491 O GLU A 111 -26.663 2.570 7.539 1.00 0.64 O ATOM 1492 CB GLU A 111 -24.798 4.846 6.278 1.00 0.61 C ATOM 1493 CG GLU A 111 -23.473 5.590 6.199 1.00 0.62 C ATOM 1494 CD GLU A 111 -23.542 6.980 6.801 1.00 0.65 C ATOM 1495 OE1 GLU A 111 -24.299 7.825 6.279 1.00 0.73 O ATOM 1496 OE2 GLU A 111 -22.839 7.243 7.796 1.00 0.67 O ATOM 0 H GLU A 111 -23.455 3.341 7.669 1.00 0.57 H new ATOM 0 HA GLU A 111 -25.289 5.386 8.298 1.00 0.60 H new ATOM 0 HB2 GLU A 111 -24.730 3.936 5.681 1.00 0.61 H new ATOM 0 HB3 GLU A 111 -25.578 5.463 5.831 1.00 0.61 H new ATOM 0 HG2 GLU A 111 -22.706 5.013 6.716 1.00 0.62 H new ATOM 0 HG3 GLU A 111 -23.166 5.666 5.156 1.00 0.62 H new ATOM 1503 N PRO A 112 -27.666 4.551 7.880 1.00 0.67 N ATOM 1504 CA PRO A 112 -29.027 3.999 7.909 1.00 0.71 C ATOM 1505 C PRO A 112 -29.443 3.323 6.603 1.00 0.71 C ATOM 1506 O PRO A 112 -30.166 2.324 6.622 1.00 0.79 O ATOM 1507 CB PRO A 112 -29.911 5.222 8.178 1.00 0.77 C ATOM 1508 CG PRO A 112 -29.079 6.404 7.826 1.00 0.82 C ATOM 1509 CD PRO A 112 -27.658 6.008 8.099 1.00 0.71 C ATOM 0 HA PRO A 112 -29.110 3.213 8.660 1.00 0.71 H new ATOM 0 HB2 PRO A 112 -30.819 5.189 7.576 1.00 0.77 H new ATOM 0 HB3 PRO A 112 -30.222 5.259 9.222 1.00 0.77 H new ATOM 0 HG2 PRO A 112 -29.213 6.677 6.779 1.00 0.82 H new ATOM 0 HG3 PRO A 112 -29.363 7.272 8.421 1.00 0.82 H new ATOM 0 HD2 PRO A 112 -26.963 6.512 7.427 1.00 0.71 H new ATOM 0 HD3 PRO A 112 -27.358 6.261 9.116 1.00 0.71 H new ATOM 1517 N LYS A 113 -28.988 3.856 5.476 1.00 0.72 N ATOM 1518 CA LYS A 113 -29.347 3.292 4.179 1.00 0.75 C ATOM 1519 C LYS A 113 -28.112 2.887 3.385 1.00 0.69 C ATOM 1520 O LYS A 113 -27.049 3.486 3.527 1.00 0.70 O ATOM 1521 CB LYS A 113 -30.177 4.299 3.383 1.00 0.86 C ATOM 1522 CG LYS A 113 -31.652 4.287 3.752 1.00 0.99 C ATOM 1523 CD LYS A 113 -32.305 5.627 3.471 1.00 1.05 C ATOM 1524 CE LYS A 113 -33.816 5.556 3.620 1.00 1.11 C ATOM 1525 NZ LYS A 113 -34.441 6.902 3.588 1.00 1.51 N ATOM 0 H LYS A 113 -28.375 4.670 5.432 1.00 0.72 H new ATOM 0 HA LYS A 113 -29.939 2.394 4.356 1.00 0.75 H new ATOM 0 HB2 LYS A 113 -29.777 5.300 3.547 1.00 0.86 H new ATOM 0 HB3 LYS A 113 -30.074 4.084 2.319 1.00 0.86 H new ATOM 0 HG2 LYS A 113 -32.163 3.506 3.188 1.00 0.99 H new ATOM 0 HG3 LYS A 113 -31.762 4.041 4.808 1.00 0.99 H new ATOM 0 HD2 LYS A 113 -31.906 6.377 4.154 1.00 1.05 H new ATOM 0 HD3 LYS A 113 -32.053 5.950 2.461 1.00 1.05 H new ATOM 0 HE2 LYS A 113 -34.231 4.944 2.819 1.00 1.11 H new ATOM 0 HE3 LYS A 113 -34.065 5.063 4.560 1.00 1.11 H new ATOM 0 HZ1 LYS A 113 -35.472 6.809 3.693 1.00 1.51 H new ATOM 0 HZ2 LYS A 113 -34.064 7.478 4.368 1.00 1.51 H new ATOM 0 HZ3 LYS A 113 -34.225 7.363 2.681 1.00 1.51 H new ATOM 1539 N THR A 114 -28.275 1.876 2.538 1.00 0.69 N ATOM 1540 CA THR A 114 -27.187 1.367 1.713 1.00 0.66 C ATOM 1541 C THR A 114 -27.086 2.136 0.401 1.00 0.67 C ATOM 1542 O THR A 114 -26.191 1.897 -0.409 1.00 0.69 O ATOM 1543 CB THR A 114 -27.408 -0.121 1.393 1.00 0.70 C ATOM 1544 OG1 THR A 114 -28.815 -0.389 1.306 1.00 0.90 O ATOM 1545 CG2 THR A 114 -26.782 -1.012 2.452 1.00 0.86 C ATOM 0 H THR A 114 -29.161 1.389 2.405 1.00 0.69 H new ATOM 0 HA THR A 114 -26.263 1.494 2.277 1.00 0.66 H new ATOM 0 HB THR A 114 -26.928 -0.340 0.439 1.00 0.70 H new ATOM 0 HG1 THR A 114 -28.955 -1.337 1.100 1.00 0.90 H new ATOM 0 HG21 THR A 114 -26.956 -2.057 2.197 1.00 0.86 H new ATOM 0 HG22 THR A 114 -25.709 -0.823 2.499 1.00 0.86 H new ATOM 0 HG23 THR A 114 -27.231 -0.796 3.421 1.00 0.86 H new ATOM 1553 N ASP A 115 -28.014 3.060 0.198 1.00 0.69 N ATOM 1554 CA ASP A 115 -28.050 3.866 -1.018 1.00 0.72 C ATOM 1555 C ASP A 115 -26.817 4.752 -1.144 1.00 0.68 C ATOM 1556 O ASP A 115 -26.453 5.170 -2.242 1.00 0.72 O ATOM 1557 CB ASP A 115 -29.308 4.734 -1.045 1.00 0.79 C ATOM 1558 CG ASP A 115 -30.546 3.962 -1.449 1.00 0.94 C ATOM 1559 OD1 ASP A 115 -30.708 3.671 -2.652 1.00 1.19 O ATOM 1560 OD2 ASP A 115 -31.369 3.646 -0.564 1.00 1.14 O ATOM 0 H ASP A 115 -28.757 3.272 0.863 1.00 0.69 H new ATOM 0 HA ASP A 115 -28.063 3.178 -1.863 1.00 0.72 H new ATOM 0 HB2 ASP A 115 -29.464 5.171 -0.058 1.00 0.79 H new ATOM 0 HB3 ASP A 115 -29.158 5.561 -1.739 1.00 0.79 H new ATOM 1565 N GLN A 116 -26.166 5.024 -0.023 1.00 0.66 N ATOM 1566 CA GLN A 116 -24.984 5.876 -0.020 1.00 0.64 C ATOM 1567 C GLN A 116 -23.720 5.090 0.326 1.00 0.60 C ATOM 1568 O GLN A 116 -22.682 5.681 0.637 1.00 0.59 O ATOM 1569 CB GLN A 116 -25.174 7.022 0.974 1.00 0.70 C ATOM 1570 CG GLN A 116 -26.200 8.052 0.527 1.00 0.77 C ATOM 1571 CD GLN A 116 -25.709 8.904 -0.625 1.00 0.83 C ATOM 1572 OE1 GLN A 116 -25.855 8.540 -1.792 1.00 0.90 O ATOM 1573 NE2 GLN A 116 -25.144 10.055 -0.305 1.00 0.92 N ATOM 0 H GLN A 116 -26.434 4.669 0.895 1.00 0.66 H new ATOM 0 HA GLN A 116 -24.859 6.278 -1.026 1.00 0.64 H new ATOM 0 HB2 GLN A 116 -25.480 6.611 1.936 1.00 0.70 H new ATOM 0 HB3 GLN A 116 -24.217 7.519 1.130 1.00 0.70 H new ATOM 0 HG2 GLN A 116 -27.116 7.541 0.231 1.00 0.77 H new ATOM 0 HG3 GLN A 116 -26.452 8.697 1.369 1.00 0.77 H new ATOM 0 HE21 GLN A 116 -25.043 10.318 0.675 1.00 0.92 H new ATOM 0 HE22 GLN A 116 -24.809 10.680 -1.038 1.00 0.92 H new ATOM 1582 N ASP A 117 -23.799 3.767 0.269 1.00 0.59 N ATOM 1583 CA ASP A 117 -22.649 2.919 0.579 1.00 0.58 C ATOM 1584 C ASP A 117 -21.587 3.039 -0.511 1.00 0.55 C ATOM 1585 O ASP A 117 -20.472 3.511 -0.261 1.00 0.53 O ATOM 1586 CB ASP A 117 -23.080 1.454 0.728 1.00 0.60 C ATOM 1587 CG ASP A 117 -23.618 1.136 2.110 1.00 0.62 C ATOM 1588 OD1 ASP A 117 -23.677 2.052 2.953 1.00 0.67 O ATOM 1589 OD2 ASP A 117 -24.004 -0.032 2.355 1.00 0.64 O ATOM 0 H ASP A 117 -24.644 3.256 0.012 1.00 0.59 H new ATOM 0 HA ASP A 117 -22.225 3.257 1.525 1.00 0.58 H new ATOM 0 HB2 ASP A 117 -23.845 1.228 -0.015 1.00 0.60 H new ATOM 0 HB3 ASP A 117 -22.229 0.807 0.517 1.00 0.60 H new ATOM 1594 N GLU A 118 -21.949 2.636 -1.725 1.00 0.56 N ATOM 1595 CA GLU A 118 -21.040 2.687 -2.867 1.00 0.56 C ATOM 1596 C GLU A 118 -20.586 4.116 -3.160 1.00 0.55 C ATOM 1597 O GLU A 118 -19.428 4.343 -3.504 1.00 0.55 O ATOM 1598 CB GLU A 118 -21.710 2.084 -4.107 1.00 0.59 C ATOM 1599 CG GLU A 118 -21.862 0.570 -4.047 1.00 0.62 C ATOM 1600 CD GLU A 118 -20.524 -0.147 -4.052 1.00 0.64 C ATOM 1601 OE1 GLU A 118 -19.934 -0.312 -5.144 1.00 0.85 O ATOM 1602 OE2 GLU A 118 -20.048 -0.543 -2.969 1.00 0.70 O ATOM 0 H GLU A 118 -22.874 2.267 -1.945 1.00 0.56 H new ATOM 0 HA GLU A 118 -20.157 2.100 -2.614 1.00 0.56 H new ATOM 0 HB2 GLU A 118 -22.695 2.534 -4.232 1.00 0.59 H new ATOM 0 HB3 GLU A 118 -21.125 2.347 -4.989 1.00 0.59 H new ATOM 0 HG2 GLU A 118 -22.413 0.298 -3.147 1.00 0.62 H new ATOM 0 HG3 GLU A 118 -22.455 0.233 -4.897 1.00 0.62 H new ATOM 1609 N GLU A 119 -21.491 5.077 -3.004 1.00 0.57 N ATOM 1610 CA GLU A 119 -21.167 6.478 -3.256 1.00 0.59 C ATOM 1611 C GLU A 119 -20.067 6.955 -2.312 1.00 0.56 C ATOM 1612 O GLU A 119 -19.152 7.672 -2.722 1.00 0.57 O ATOM 1613 CB GLU A 119 -22.414 7.354 -3.101 1.00 0.64 C ATOM 1614 CG GLU A 119 -22.290 8.708 -3.779 1.00 0.71 C ATOM 1615 CD GLU A 119 -22.188 8.592 -5.285 1.00 0.84 C ATOM 1616 OE1 GLU A 119 -23.222 8.326 -5.935 1.00 1.12 O ATOM 1617 OE2 GLU A 119 -21.076 8.755 -5.833 1.00 1.25 O ATOM 0 H GLU A 119 -22.452 4.913 -2.705 1.00 0.57 H new ATOM 0 HA GLU A 119 -20.805 6.564 -4.281 1.00 0.59 H new ATOM 0 HB2 GLU A 119 -23.273 6.826 -3.515 1.00 0.64 H new ATOM 0 HB3 GLU A 119 -22.613 7.504 -2.040 1.00 0.64 H new ATOM 0 HG2 GLU A 119 -23.154 9.320 -3.522 1.00 0.71 H new ATOM 0 HG3 GLU A 119 -21.409 9.224 -3.397 1.00 0.71 H new ATOM 1624 N HIS A 120 -20.144 6.540 -1.051 1.00 0.55 N ATOM 1625 CA HIS A 120 -19.138 6.929 -0.069 1.00 0.54 C ATOM 1626 C HIS A 120 -17.808 6.277 -0.411 1.00 0.51 C ATOM 1627 O HIS A 120 -16.755 6.899 -0.285 1.00 0.52 O ATOM 1628 CB HIS A 120 -19.571 6.553 1.347 1.00 0.55 C ATOM 1629 CG HIS A 120 -20.322 7.647 2.044 1.00 0.59 C ATOM 1630 ND1 HIS A 120 -21.658 7.558 2.378 1.00 0.64 N ATOM 1631 CD2 HIS A 120 -19.916 8.869 2.460 1.00 0.71 C ATOM 1632 CE1 HIS A 120 -22.040 8.678 2.967 1.00 0.68 C ATOM 1633 NE2 HIS A 120 -21.000 9.488 3.026 1.00 0.74 N ATOM 0 H HIS A 120 -20.885 5.940 -0.688 1.00 0.55 H new ATOM 0 HA HIS A 120 -19.025 8.013 -0.102 1.00 0.54 H new ATOM 0 HB2 HIS A 120 -20.197 5.662 1.304 1.00 0.55 H new ATOM 0 HB3 HIS A 120 -18.689 6.295 1.934 1.00 0.55 H new ATOM 0 HD1 HIS A 120 -22.258 6.753 2.198 1.00 0.64 H new ATOM 0 HD2 HIS A 120 -18.922 9.280 2.364 1.00 0.71 H new ATOM 0 HE1 HIS A 120 -23.032 8.893 3.336 1.00 0.68 H new ATOM 1642 N CYS A 121 -17.871 5.028 -0.859 1.00 0.49 N ATOM 1643 CA CYS A 121 -16.676 4.292 -1.252 1.00 0.48 C ATOM 1644 C CYS A 121 -16.002 5.002 -2.422 1.00 0.48 C ATOM 1645 O CYS A 121 -14.775 5.116 -2.476 1.00 0.47 O ATOM 1646 CB CYS A 121 -17.045 2.857 -1.649 1.00 0.49 C ATOM 1647 SG CYS A 121 -15.649 1.852 -2.213 1.00 0.48 S ATOM 0 H CYS A 121 -18.740 4.503 -0.959 1.00 0.49 H new ATOM 0 HA CYS A 121 -15.986 4.253 -0.409 1.00 0.48 H new ATOM 0 HB2 CYS A 121 -17.509 2.365 -0.794 1.00 0.49 H new ATOM 0 HB3 CYS A 121 -17.793 2.893 -2.441 1.00 0.49 H new ATOM 0 HG CYS A 121 -14.644 2.013 -1.405 1.00 0.48 H new ATOM 1653 N ARG A 122 -16.825 5.490 -3.342 1.00 0.51 N ATOM 1654 CA ARG A 122 -16.355 6.214 -4.513 1.00 0.54 C ATOM 1655 C ARG A 122 -15.622 7.484 -4.088 1.00 0.53 C ATOM 1656 O ARG A 122 -14.493 7.732 -4.511 1.00 0.54 O ATOM 1657 CB ARG A 122 -17.551 6.555 -5.405 1.00 0.59 C ATOM 1658 CG ARG A 122 -17.185 7.205 -6.727 1.00 0.85 C ATOM 1659 CD ARG A 122 -18.401 7.332 -7.628 1.00 0.89 C ATOM 1660 NE ARG A 122 -18.896 6.029 -8.058 1.00 1.09 N ATOM 1661 CZ ARG A 122 -20.163 5.633 -7.949 1.00 0.97 C ATOM 1662 NH1 ARG A 122 -21.079 6.431 -7.413 1.00 1.44 N ATOM 1663 NH2 ARG A 122 -20.517 4.438 -8.391 1.00 1.52 N ATOM 0 H ARG A 122 -17.839 5.394 -3.295 1.00 0.51 H new ATOM 0 HA ARG A 122 -15.657 5.591 -5.073 1.00 0.54 H new ATOM 0 HB2 ARG A 122 -18.110 5.641 -5.606 1.00 0.59 H new ATOM 0 HB3 ARG A 122 -18.217 7.223 -4.858 1.00 0.59 H new ATOM 0 HG2 ARG A 122 -16.758 8.191 -6.545 1.00 0.85 H new ATOM 0 HG3 ARG A 122 -16.418 6.613 -7.227 1.00 0.85 H new ATOM 0 HD2 ARG A 122 -19.191 7.864 -7.099 1.00 0.89 H new ATOM 0 HD3 ARG A 122 -18.144 7.930 -8.503 1.00 0.89 H new ATOM 0 HE ARG A 122 -18.227 5.378 -8.470 1.00 1.09 H new ATOM 0 HH11 ARG A 122 -20.815 7.358 -7.079 1.00 1.44 H new ATOM 0 HH12 ARG A 122 -22.046 6.117 -7.335 1.00 1.44 H new ATOM 0 HH21 ARG A 122 -19.821 3.824 -8.813 1.00 1.52 H new ATOM 0 HH22 ARG A 122 -21.486 4.131 -8.310 1.00 1.52 H new ATOM 1677 N LYS A 123 -16.268 8.267 -3.227 1.00 0.53 N ATOM 1678 CA LYS A 123 -15.690 9.510 -2.727 1.00 0.53 C ATOM 1679 C LYS A 123 -14.361 9.253 -2.020 1.00 0.51 C ATOM 1680 O LYS A 123 -13.419 10.034 -2.148 1.00 0.53 O ATOM 1681 CB LYS A 123 -16.654 10.207 -1.763 1.00 0.56 C ATOM 1682 CG LYS A 123 -17.824 10.892 -2.453 1.00 0.63 C ATOM 1683 CD LYS A 123 -18.352 12.046 -1.621 1.00 0.73 C ATOM 1684 CE LYS A 123 -19.552 12.711 -2.278 1.00 0.85 C ATOM 1685 NZ LYS A 123 -19.866 14.023 -1.651 1.00 1.12 N ATOM 0 H LYS A 123 -17.197 8.060 -2.860 1.00 0.53 H new ATOM 0 HA LYS A 123 -15.512 10.157 -3.586 1.00 0.53 H new ATOM 0 HB2 LYS A 123 -17.040 9.473 -1.056 1.00 0.56 H new ATOM 0 HB3 LYS A 123 -16.102 10.947 -1.184 1.00 0.56 H new ATOM 0 HG2 LYS A 123 -17.509 11.259 -3.430 1.00 0.63 H new ATOM 0 HG3 LYS A 123 -18.622 10.169 -2.625 1.00 0.63 H new ATOM 0 HD2 LYS A 123 -18.633 11.683 -0.632 1.00 0.73 H new ATOM 0 HD3 LYS A 123 -17.561 12.782 -1.477 1.00 0.73 H new ATOM 0 HE2 LYS A 123 -19.353 12.854 -3.340 1.00 0.85 H new ATOM 0 HE3 LYS A 123 -20.419 12.055 -2.202 1.00 0.85 H new ATOM 0 HZ1 LYS A 123 -20.689 14.446 -2.125 1.00 1.12 H new ATOM 0 HZ2 LYS A 123 -20.081 13.884 -0.643 1.00 1.12 H new ATOM 0 HZ3 LYS A 123 -19.048 14.658 -1.746 1.00 1.12 H new ATOM 1699 N VAL A 124 -14.292 8.158 -1.270 1.00 0.48 N ATOM 1700 CA VAL A 124 -13.072 7.805 -0.555 1.00 0.46 C ATOM 1701 C VAL A 124 -11.919 7.616 -1.536 1.00 0.45 C ATOM 1702 O VAL A 124 -10.877 8.254 -1.408 1.00 0.45 O ATOM 1703 CB VAL A 124 -13.248 6.527 0.294 1.00 0.45 C ATOM 1704 CG1 VAL A 124 -11.909 6.025 0.816 1.00 0.43 C ATOM 1705 CG2 VAL A 124 -14.196 6.786 1.452 1.00 0.50 C ATOM 0 H VAL A 124 -15.063 7.503 -1.142 1.00 0.48 H new ATOM 0 HA VAL A 124 -12.845 8.628 0.123 1.00 0.46 H new ATOM 0 HB VAL A 124 -13.674 5.756 -0.347 1.00 0.45 H new ATOM 0 HG11 VAL A 124 -12.065 5.124 1.410 1.00 0.43 H new ATOM 0 HG12 VAL A 124 -11.253 5.797 -0.024 1.00 0.43 H new ATOM 0 HG13 VAL A 124 -11.449 6.794 1.437 1.00 0.43 H new ATOM 0 HG21 VAL A 124 -14.309 5.875 2.040 1.00 0.50 H new ATOM 0 HG22 VAL A 124 -13.792 7.578 2.083 1.00 0.50 H new ATOM 0 HG23 VAL A 124 -15.168 7.091 1.065 1.00 0.50 H new ATOM 1715 N ASN A 125 -12.134 6.763 -2.529 1.00 0.46 N ATOM 1716 CA ASN A 125 -11.116 6.490 -3.542 1.00 0.48 C ATOM 1717 C ASN A 125 -10.729 7.766 -4.282 1.00 0.49 C ATOM 1718 O ASN A 125 -9.552 8.005 -4.560 1.00 0.52 O ATOM 1719 CB ASN A 125 -11.624 5.452 -4.544 1.00 0.50 C ATOM 1720 CG ASN A 125 -11.555 4.033 -4.017 1.00 0.51 C ATOM 1721 OD1 ASN A 125 -10.520 3.370 -4.106 1.00 0.69 O ATOM 1722 ND2 ASN A 125 -12.659 3.552 -3.470 1.00 0.77 N ATOM 0 H ASN A 125 -13.004 6.246 -2.657 1.00 0.46 H new ATOM 0 HA ASN A 125 -10.235 6.098 -3.033 1.00 0.48 H new ATOM 0 HB2 ASN A 125 -12.655 5.685 -4.808 1.00 0.50 H new ATOM 0 HB3 ASN A 125 -11.037 5.522 -5.460 1.00 0.50 H new ATOM 0 HD21 ASN A 125 -12.674 2.600 -3.103 1.00 0.77 H new ATOM 0 HD22 ASN A 125 -13.496 4.133 -3.415 1.00 0.77 H new ATOM 1729 N GLU A 126 -11.730 8.593 -4.576 1.00 0.52 N ATOM 1730 CA GLU A 126 -11.517 9.843 -5.299 1.00 0.56 C ATOM 1731 C GLU A 126 -10.561 10.779 -4.567 1.00 0.55 C ATOM 1732 O GLU A 126 -9.602 11.262 -5.152 1.00 0.64 O ATOM 1733 CB GLU A 126 -12.846 10.560 -5.542 1.00 0.64 C ATOM 1734 CG GLU A 126 -13.661 9.954 -6.669 1.00 0.76 C ATOM 1735 CD GLU A 126 -14.837 10.816 -7.069 1.00 0.91 C ATOM 1736 OE1 GLU A 126 -14.720 12.060 -7.001 1.00 1.27 O ATOM 1737 OE2 GLU A 126 -15.882 10.258 -7.461 1.00 1.30 O ATOM 0 H GLU A 126 -12.702 8.417 -4.322 1.00 0.52 H new ATOM 0 HA GLU A 126 -11.063 9.578 -6.254 1.00 0.56 H new ATOM 0 HB2 GLU A 126 -13.435 10.538 -4.625 1.00 0.64 H new ATOM 0 HB3 GLU A 126 -12.649 11.608 -5.769 1.00 0.64 H new ATOM 0 HG2 GLU A 126 -13.017 9.800 -7.535 1.00 0.76 H new ATOM 0 HG3 GLU A 126 -14.023 8.973 -6.363 1.00 0.76 H new ATOM 1744 N TYR A 127 -10.815 11.025 -3.293 1.00 0.53 N ATOM 1745 CA TYR A 127 -9.975 11.940 -2.517 1.00 0.55 C ATOM 1746 C TYR A 127 -8.619 11.334 -2.155 1.00 0.52 C ATOM 1747 O TYR A 127 -7.617 12.047 -2.082 1.00 0.60 O ATOM 1748 CB TYR A 127 -10.695 12.377 -1.241 1.00 0.59 C ATOM 1749 CG TYR A 127 -11.780 13.408 -1.470 1.00 0.62 C ATOM 1750 CD1 TYR A 127 -13.072 13.022 -1.790 1.00 0.69 C ATOM 1751 CD2 TYR A 127 -11.512 14.767 -1.356 1.00 0.73 C ATOM 1752 CE1 TYR A 127 -14.069 13.957 -1.992 1.00 0.74 C ATOM 1753 CE2 TYR A 127 -12.504 15.709 -1.551 1.00 0.79 C ATOM 1754 CZ TYR A 127 -13.781 15.299 -1.870 1.00 0.74 C ATOM 1755 OH TYR A 127 -14.778 16.231 -2.058 1.00 0.84 O ATOM 0 H TYR A 127 -11.588 10.611 -2.772 1.00 0.53 H new ATOM 0 HA TYR A 127 -9.790 12.805 -3.154 1.00 0.55 H new ATOM 0 HB2 TYR A 127 -11.135 11.500 -0.766 1.00 0.59 H new ATOM 0 HB3 TYR A 127 -9.963 12.784 -0.544 1.00 0.59 H new ATOM 0 HD1 TYR A 127 -13.304 11.971 -1.883 1.00 0.69 H new ATOM 0 HD2 TYR A 127 -10.512 15.092 -1.111 1.00 0.73 H new ATOM 0 HE1 TYR A 127 -15.069 13.638 -2.244 1.00 0.74 H new ATOM 0 HE2 TYR A 127 -12.280 16.761 -1.454 1.00 0.79 H new ATOM 0 HH TYR A 127 -14.411 17.132 -1.935 1.00 0.84 H new ATOM 1765 N LEU A 128 -8.579 10.030 -1.928 1.00 0.49 N ATOM 1766 CA LEU A 128 -7.332 9.370 -1.554 1.00 0.49 C ATOM 1767 C LEU A 128 -6.331 9.327 -2.710 1.00 0.53 C ATOM 1768 O LEU A 128 -5.135 9.531 -2.508 1.00 0.69 O ATOM 1769 CB LEU A 128 -7.607 7.950 -1.052 1.00 0.46 C ATOM 1770 CG LEU A 128 -8.360 7.861 0.279 1.00 0.42 C ATOM 1771 CD1 LEU A 128 -8.357 6.433 0.791 1.00 0.49 C ATOM 1772 CD2 LEU A 128 -7.755 8.795 1.315 1.00 0.44 C ATOM 0 H LEU A 128 -9.386 9.410 -1.995 1.00 0.49 H new ATOM 0 HA LEU A 128 -6.887 9.960 -0.753 1.00 0.49 H new ATOM 0 HB2 LEU A 128 -8.181 7.419 -1.811 1.00 0.46 H new ATOM 0 HB3 LEU A 128 -6.656 7.428 -0.948 1.00 0.46 H new ATOM 0 HG LEU A 128 -9.390 8.172 0.106 1.00 0.42 H new ATOM 0 HD11 LEU A 128 -8.896 6.385 1.737 1.00 0.49 H new ATOM 0 HD12 LEU A 128 -8.844 5.784 0.063 1.00 0.49 H new ATOM 0 HD13 LEU A 128 -7.329 6.102 0.941 1.00 0.49 H new ATOM 0 HD21 LEU A 128 -8.310 8.710 2.249 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -6.713 8.523 1.486 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -7.807 9.822 0.954 1.00 0.44 H new ATOM 1784 N ASN A 129 -6.818 9.079 -3.916 1.00 0.54 N ATOM 1785 CA ASN A 129 -5.938 8.985 -5.076 1.00 0.59 C ATOM 1786 C ASN A 129 -5.835 10.302 -5.842 1.00 0.65 C ATOM 1787 O ASN A 129 -4.882 10.513 -6.596 1.00 0.78 O ATOM 1788 CB ASN A 129 -6.415 7.866 -6.006 1.00 0.64 C ATOM 1789 CG ASN A 129 -5.742 6.537 -5.715 1.00 0.68 C ATOM 1790 OD1 ASN A 129 -4.552 6.483 -5.405 1.00 0.81 O ATOM 1791 ND2 ASN A 129 -6.499 5.457 -5.806 1.00 0.89 N ATOM 0 H ASN A 129 -7.808 8.940 -4.119 1.00 0.54 H new ATOM 0 HA ASN A 129 -4.939 8.754 -4.706 1.00 0.59 H new ATOM 0 HB2 ASN A 129 -7.494 7.752 -5.907 1.00 0.64 H new ATOM 0 HB3 ASN A 129 -6.218 8.150 -7.040 1.00 0.64 H new ATOM 0 HD21 ASN A 129 -6.101 4.537 -5.616 1.00 0.89 H new ATOM 0 HD22 ASN A 129 -7.482 5.543 -6.066 1.00 0.89 H new ATOM 1798 N ASN A 130 -6.799 11.190 -5.650 1.00 0.67 N ATOM 1799 CA ASN A 130 -6.792 12.473 -6.343 1.00 0.74 C ATOM 1800 C ASN A 130 -6.707 13.613 -5.340 1.00 0.80 C ATOM 1801 O ASN A 130 -7.762 14.192 -4.993 1.00 0.99 O ATOM 1802 CB ASN A 130 -8.041 12.634 -7.217 1.00 0.82 C ATOM 1803 CG ASN A 130 -8.176 11.545 -8.265 1.00 0.91 C ATOM 1804 OD1 ASN A 130 -7.733 11.699 -9.403 1.00 1.10 O ATOM 1805 ND2 ASN A 130 -8.799 10.440 -7.888 1.00 1.09 N ATOM 0 H ASN A 130 -7.592 11.049 -5.024 1.00 0.67 H new ATOM 0 HA ASN A 130 -5.916 12.502 -6.991 1.00 0.74 H new ATOM 0 HB2 ASN A 130 -8.926 12.630 -6.581 1.00 0.82 H new ATOM 0 HB3 ASN A 130 -8.009 13.605 -7.712 1.00 0.82 H new ATOM 0 HD21 ASN A 130 -8.927 9.675 -8.551 1.00 1.09 H new ATOM 0 HD22 ASN A 130 -9.151 10.353 -6.935 1.00 1.09 H new TER 1812 ASN A 130 ATOM 1813 N ALA B 26 37.162 -7.456 6.905 1.00 1.24 N ATOM 1814 CA ALA B 26 36.243 -7.082 8.002 1.00 1.15 C ATOM 1815 C ALA B 26 34.788 -7.222 7.564 1.00 1.06 C ATOM 1816 O ALA B 26 34.335 -6.517 6.658 1.00 1.08 O ATOM 1817 CB ALA B 26 36.518 -5.659 8.461 1.00 1.27 C ATOM 0 HA ALA B 26 36.417 -7.761 8.837 1.00 1.15 H new ATOM 0 HB1 ALA B 26 35.834 -5.399 9.269 1.00 1.27 H new ATOM 0 HB2 ALA B 26 37.545 -5.584 8.817 1.00 1.27 H new ATOM 0 HB3 ALA B 26 36.372 -4.973 7.627 1.00 1.27 H new ATOM 1825 N PRO B 27 34.043 -8.154 8.182 1.00 1.03 N ATOM 1826 CA PRO B 27 32.628 -8.374 7.867 1.00 0.98 C ATOM 1827 C PRO B 27 31.785 -7.131 8.153 1.00 0.96 C ATOM 1828 O PRO B 27 31.887 -6.533 9.227 1.00 1.05 O ATOM 1829 CB PRO B 27 32.218 -9.524 8.791 1.00 1.03 C ATOM 1830 CG PRO B 27 33.492 -10.167 9.218 1.00 1.15 C ATOM 1831 CD PRO B 27 34.524 -9.079 9.223 1.00 1.12 C ATOM 0 HA PRO B 27 32.475 -8.597 6.811 1.00 0.98 H new ATOM 0 HB2 PRO B 27 31.657 -9.156 9.650 1.00 1.03 H new ATOM 0 HB3 PRO B 27 31.575 -10.234 8.271 1.00 1.03 H new ATOM 0 HG2 PRO B 27 33.391 -10.613 10.207 1.00 1.15 H new ATOM 0 HG3 PRO B 27 33.773 -10.968 8.534 1.00 1.15 H new ATOM 0 HD2 PRO B 27 34.590 -8.591 10.196 1.00 1.12 H new ATOM 0 HD3 PRO B 27 35.517 -9.465 8.991 1.00 1.12 H new ATOM 1839 N ALA B 28 30.955 -6.747 7.194 1.00 0.95 N ATOM 1840 CA ALA B 28 30.121 -5.566 7.349 1.00 0.96 C ATOM 1841 C ALA B 28 28.646 -5.892 7.156 1.00 0.90 C ATOM 1842 O ALA B 28 27.905 -5.087 6.593 1.00 0.88 O ATOM 1843 CB ALA B 28 30.558 -4.490 6.367 1.00 1.04 C ATOM 0 H ALA B 28 30.842 -7.234 6.305 1.00 0.95 H new ATOM 0 HA ALA B 28 30.246 -5.197 8.367 1.00 0.96 H new ATOM 0 HB1 ALA B 28 29.929 -3.609 6.489 1.00 1.04 H new ATOM 0 HB2 ALA B 28 31.597 -4.223 6.558 1.00 1.04 H new ATOM 0 HB3 ALA B 28 30.462 -4.866 5.348 1.00 1.04 H new ATOM 1849 N GLU B 29 28.232 -7.068 7.633 1.00 0.93 N ATOM 1850 CA GLU B 29 26.840 -7.521 7.523 1.00 0.90 C ATOM 1851 C GLU B 29 26.346 -7.432 6.078 1.00 0.85 C ATOM 1852 O GLU B 29 25.642 -6.493 5.705 1.00 0.82 O ATOM 1853 CB GLU B 29 25.932 -6.704 8.446 1.00 0.91 C ATOM 1854 CG GLU B 29 26.309 -6.819 9.914 1.00 1.14 C ATOM 1855 CD GLU B 29 25.470 -5.935 10.809 1.00 1.10 C ATOM 1856 OE1 GLU B 29 24.342 -6.336 11.169 1.00 1.29 O ATOM 1857 OE2 GLU B 29 25.937 -4.832 11.169 1.00 1.30 O ATOM 0 H GLU B 29 28.847 -7.731 8.104 1.00 0.93 H new ATOM 0 HA GLU B 29 26.803 -8.565 7.832 1.00 0.90 H new ATOM 0 HB2 GLU B 29 25.971 -5.656 8.149 1.00 0.91 H new ATOM 0 HB3 GLU B 29 24.901 -7.034 8.316 1.00 0.91 H new ATOM 0 HG2 GLU B 29 26.200 -7.856 10.231 1.00 1.14 H new ATOM 0 HG3 GLU B 29 27.360 -6.557 10.035 1.00 1.14 H new ATOM 1864 N PRO B 30 26.690 -8.430 5.250 1.00 0.88 N ATOM 1865 CA PRO B 30 26.311 -8.457 3.835 1.00 0.88 C ATOM 1866 C PRO B 30 24.852 -8.845 3.609 1.00 0.82 C ATOM 1867 O PRO B 30 24.518 -9.491 2.618 1.00 0.85 O ATOM 1868 CB PRO B 30 27.240 -9.521 3.254 1.00 1.00 C ATOM 1869 CG PRO B 30 27.519 -10.451 4.381 1.00 1.07 C ATOM 1870 CD PRO B 30 27.465 -9.624 5.638 1.00 0.98 C ATOM 0 HA PRO B 30 26.405 -7.474 3.374 1.00 0.88 H new ATOM 0 HB2 PRO B 30 26.769 -10.042 2.420 1.00 1.00 H new ATOM 0 HB3 PRO B 30 28.159 -9.076 2.874 1.00 1.00 H new ATOM 0 HG2 PRO B 30 26.783 -11.254 4.413 1.00 1.07 H new ATOM 0 HG3 PRO B 30 28.497 -10.919 4.266 1.00 1.07 H new ATOM 0 HD2 PRO B 30 26.982 -10.166 6.451 1.00 0.98 H new ATOM 0 HD3 PRO B 30 28.464 -9.356 5.982 1.00 0.98 H new ATOM 1878 N LYS B 31 23.985 -8.448 4.524 1.00 0.78 N ATOM 1879 CA LYS B 31 22.573 -8.747 4.402 1.00 0.74 C ATOM 1880 C LYS B 31 21.881 -7.629 3.634 1.00 0.69 C ATOM 1881 O LYS B 31 21.498 -6.611 4.206 1.00 0.73 O ATOM 1882 CB LYS B 31 21.929 -8.929 5.781 1.00 0.76 C ATOM 1883 CG LYS B 31 22.468 -10.120 6.556 1.00 0.92 C ATOM 1884 CD LYS B 31 21.426 -10.676 7.517 1.00 1.11 C ATOM 1885 CE LYS B 31 20.391 -11.535 6.798 1.00 1.32 C ATOM 1886 NZ LYS B 31 20.981 -12.790 6.256 1.00 1.45 N ATOM 0 H LYS B 31 24.236 -7.918 5.359 1.00 0.78 H new ATOM 0 HA LYS B 31 22.459 -9.683 3.856 1.00 0.74 H new ATOM 0 HB2 LYS B 31 22.086 -8.024 6.368 1.00 0.76 H new ATOM 0 HB3 LYS B 31 20.852 -9.045 5.657 1.00 0.76 H new ATOM 0 HG2 LYS B 31 22.776 -10.900 5.860 1.00 0.92 H new ATOM 0 HG3 LYS B 31 23.356 -9.822 7.113 1.00 0.92 H new ATOM 0 HD2 LYS B 31 21.921 -11.270 8.285 1.00 1.11 H new ATOM 0 HD3 LYS B 31 20.925 -9.852 8.025 1.00 1.11 H new ATOM 0 HE2 LYS B 31 19.585 -11.783 7.488 1.00 1.32 H new ATOM 0 HE3 LYS B 31 19.948 -10.962 5.983 1.00 1.32 H new ATOM 0 HZ1 LYS B 31 20.222 -13.471 6.053 1.00 1.45 H new ATOM 0 HZ2 LYS B 31 21.500 -12.579 5.380 1.00 1.45 H new ATOM 0 HZ3 LYS B 31 21.634 -13.197 6.956 1.00 1.45 H new ATOM 1900 N ILE B 32 21.764 -7.813 2.328 1.00 0.68 N ATOM 1901 CA ILE B 32 21.132 -6.829 1.465 1.00 0.66 C ATOM 1902 C ILE B 32 19.622 -7.045 1.429 1.00 0.62 C ATOM 1903 O ILE B 32 19.149 -8.180 1.345 1.00 0.67 O ATOM 1904 CB ILE B 32 21.729 -6.889 0.031 1.00 0.71 C ATOM 1905 CG1 ILE B 32 22.903 -5.914 -0.102 1.00 0.88 C ATOM 1906 CG2 ILE B 32 20.679 -6.593 -1.031 1.00 0.80 C ATOM 1907 CD1 ILE B 32 24.158 -6.357 0.623 1.00 1.20 C ATOM 0 H ILE B 32 22.102 -8.642 1.840 1.00 0.68 H new ATOM 0 HA ILE B 32 21.330 -5.838 1.873 1.00 0.66 H new ATOM 0 HB ILE B 32 22.088 -7.905 -0.130 1.00 0.71 H new ATOM 0 HG12 ILE B 32 23.134 -5.782 -1.159 1.00 0.88 H new ATOM 0 HG13 ILE B 32 22.599 -4.940 0.282 1.00 0.88 H new ATOM 0 HG21 ILE B 32 21.136 -6.645 -2.019 1.00 0.80 H new ATOM 0 HG22 ILE B 32 19.876 -7.327 -0.964 1.00 0.80 H new ATOM 0 HG23 ILE B 32 20.272 -5.595 -0.872 1.00 0.80 H new ATOM 0 HD11 ILE B 32 24.942 -5.614 0.480 1.00 1.20 H new ATOM 0 HD12 ILE B 32 23.946 -6.461 1.687 1.00 1.20 H new ATOM 0 HD13 ILE B 32 24.490 -7.315 0.224 1.00 1.20 H new ATOM 1919 N ILE B 33 18.876 -5.958 1.532 1.00 0.58 N ATOM 1920 CA ILE B 33 17.428 -6.028 1.492 1.00 0.56 C ATOM 1921 C ILE B 33 16.925 -5.603 0.121 1.00 0.54 C ATOM 1922 O ILE B 33 17.471 -4.681 -0.494 1.00 0.60 O ATOM 1923 CB ILE B 33 16.776 -5.148 2.581 1.00 0.56 C ATOM 1924 CG1 ILE B 33 17.269 -3.700 2.480 1.00 0.59 C ATOM 1925 CG2 ILE B 33 17.069 -5.720 3.962 1.00 0.67 C ATOM 1926 CD1 ILE B 33 16.459 -2.721 3.301 1.00 0.67 C ATOM 0 H ILE B 33 19.251 -5.016 1.644 1.00 0.58 H new ATOM 0 HA ILE B 33 17.145 -7.062 1.686 1.00 0.56 H new ATOM 0 HB ILE B 33 15.697 -5.147 2.425 1.00 0.56 H new ATOM 0 HG12 ILE B 33 18.309 -3.657 2.802 1.00 0.59 H new ATOM 0 HG13 ILE B 33 17.246 -3.390 1.435 1.00 0.59 H new ATOM 0 HG21 ILE B 33 16.605 -5.092 4.722 1.00 0.67 H new ATOM 0 HG22 ILE B 33 16.666 -6.730 4.030 1.00 0.67 H new ATOM 0 HG23 ILE B 33 18.147 -5.748 4.123 1.00 0.67 H new ATOM 0 HD11 ILE B 33 16.868 -1.718 3.179 1.00 0.67 H new ATOM 0 HD12 ILE B 33 15.422 -2.734 2.964 1.00 0.67 H new ATOM 0 HD13 ILE B 33 16.502 -3.005 4.353 1.00 0.67 H new ATOM 1938 N LYS B 34 15.896 -6.279 -0.360 1.00 0.53 N ATOM 1939 CA LYS B 34 15.332 -5.973 -1.663 1.00 0.53 C ATOM 1940 C LYS B 34 14.170 -5.004 -1.522 1.00 0.48 C ATOM 1941 O LYS B 34 13.021 -5.410 -1.335 1.00 0.57 O ATOM 1942 CB LYS B 34 14.890 -7.257 -2.364 1.00 0.58 C ATOM 1943 CG LYS B 34 16.032 -8.237 -2.591 1.00 0.76 C ATOM 1944 CD LYS B 34 15.563 -9.513 -3.276 1.00 0.87 C ATOM 1945 CE LYS B 34 15.020 -9.240 -4.670 1.00 1.07 C ATOM 1946 NZ LYS B 34 15.998 -8.514 -5.526 1.00 1.31 N ATOM 0 H LYS B 34 15.434 -7.044 0.132 1.00 0.53 H new ATOM 0 HA LYS B 34 16.098 -5.497 -2.275 1.00 0.53 H new ATOM 0 HB2 LYS B 34 14.117 -7.741 -1.768 1.00 0.58 H new ATOM 0 HB3 LYS B 34 14.441 -7.003 -3.324 1.00 0.58 H new ATOM 0 HG2 LYS B 34 16.802 -7.762 -3.199 1.00 0.76 H new ATOM 0 HG3 LYS B 34 16.490 -8.487 -1.634 1.00 0.76 H new ATOM 0 HD2 LYS B 34 16.393 -10.217 -3.341 1.00 0.87 H new ATOM 0 HD3 LYS B 34 14.790 -9.987 -2.671 1.00 0.87 H new ATOM 0 HE2 LYS B 34 14.755 -10.184 -5.146 1.00 1.07 H new ATOM 0 HE3 LYS B 34 14.104 -8.654 -4.592 1.00 1.07 H new ATOM 0 HZ1 LYS B 34 15.617 -7.578 -5.772 1.00 1.31 H new ATOM 0 HZ2 LYS B 34 16.893 -8.398 -5.009 1.00 1.31 H new ATOM 0 HZ3 LYS B 34 16.168 -9.058 -6.396 1.00 1.31 H new ATOM 1960 N VAL B 35 14.482 -3.721 -1.594 1.00 0.44 N ATOM 1961 CA VAL B 35 13.473 -2.683 -1.473 1.00 0.41 C ATOM 1962 C VAL B 35 12.998 -2.230 -2.851 1.00 0.42 C ATOM 1963 O VAL B 35 13.791 -1.770 -3.677 1.00 0.45 O ATOM 1964 CB VAL B 35 14.001 -1.473 -0.660 1.00 0.40 C ATOM 1965 CG1 VAL B 35 15.413 -1.094 -1.086 1.00 0.42 C ATOM 1966 CG2 VAL B 35 13.069 -0.276 -0.785 1.00 0.40 C ATOM 0 H VAL B 35 15.430 -3.373 -1.736 1.00 0.44 H new ATOM 0 HA VAL B 35 12.626 -3.107 -0.933 1.00 0.41 H new ATOM 0 HB VAL B 35 14.031 -1.774 0.387 1.00 0.40 H new ATOM 0 HG11 VAL B 35 15.754 -0.242 -0.497 1.00 0.42 H new ATOM 0 HG12 VAL B 35 16.082 -1.939 -0.923 1.00 0.42 H new ATOM 0 HG13 VAL B 35 15.415 -0.829 -2.143 1.00 0.42 H new ATOM 0 HG21 VAL B 35 13.466 0.556 -0.204 1.00 0.40 H new ATOM 0 HG22 VAL B 35 12.991 0.017 -1.832 1.00 0.40 H new ATOM 0 HG23 VAL B 35 12.082 -0.543 -0.408 1.00 0.40 H new ATOM 1976 N THR B 36 11.710 -2.392 -3.101 1.00 0.41 N ATOM 1977 CA THR B 36 11.123 -1.995 -4.365 1.00 0.43 C ATOM 1978 C THR B 36 10.516 -0.597 -4.244 1.00 0.39 C ATOM 1979 O THR B 36 9.638 -0.362 -3.410 1.00 0.40 O ATOM 1980 CB THR B 36 10.047 -3.005 -4.802 1.00 0.48 C ATOM 1981 OG1 THR B 36 10.335 -4.296 -4.243 1.00 0.56 O ATOM 1982 CG2 THR B 36 9.993 -3.112 -6.315 1.00 0.57 C ATOM 0 H THR B 36 11.049 -2.799 -2.439 1.00 0.41 H new ATOM 0 HA THR B 36 11.907 -1.977 -5.122 1.00 0.43 H new ATOM 0 HB THR B 36 9.080 -2.655 -4.440 1.00 0.48 H new ATOM 0 HG1 THR B 36 10.998 -4.753 -4.801 1.00 0.56 H new ATOM 0 HG21 THR B 36 9.226 -3.831 -6.602 1.00 0.57 H new ATOM 0 HG22 THR B 36 9.754 -2.137 -6.740 1.00 0.57 H new ATOM 0 HG23 THR B 36 10.961 -3.444 -6.691 1.00 0.57 H new ATOM 1990 N VAL B 37 10.983 0.330 -5.071 1.00 0.41 N ATOM 1991 CA VAL B 37 10.507 1.704 -5.022 1.00 0.40 C ATOM 1992 C VAL B 37 9.566 2.016 -6.181 1.00 0.43 C ATOM 1993 O VAL B 37 9.898 1.796 -7.349 1.00 0.51 O ATOM 1994 CB VAL B 37 11.685 2.705 -5.044 1.00 0.46 C ATOM 1995 CG1 VAL B 37 11.193 4.128 -4.795 1.00 0.52 C ATOM 1996 CG2 VAL B 37 12.743 2.319 -4.020 1.00 0.46 C ATOM 0 H VAL B 37 11.691 0.154 -5.784 1.00 0.41 H new ATOM 0 HA VAL B 37 9.960 1.811 -4.085 1.00 0.40 H new ATOM 0 HB VAL B 37 12.139 2.668 -6.034 1.00 0.46 H new ATOM 0 HG11 VAL B 37 12.039 4.814 -4.815 1.00 0.52 H new ATOM 0 HG12 VAL B 37 10.481 4.408 -5.571 1.00 0.52 H new ATOM 0 HG13 VAL B 37 10.707 4.180 -3.821 1.00 0.52 H new ATOM 0 HG21 VAL B 37 13.562 3.038 -4.054 1.00 0.46 H new ATOM 0 HG22 VAL B 37 12.302 2.319 -3.023 1.00 0.46 H new ATOM 0 HG23 VAL B 37 13.124 1.324 -4.248 1.00 0.46 H new ATOM 2006 N LYS B 38 8.383 2.514 -5.847 1.00 0.41 N ATOM 2007 CA LYS B 38 7.396 2.893 -6.844 1.00 0.46 C ATOM 2008 C LYS B 38 7.562 4.367 -7.176 1.00 0.50 C ATOM 2009 O LYS B 38 7.660 5.202 -6.277 1.00 0.63 O ATOM 2010 CB LYS B 38 5.979 2.637 -6.330 1.00 0.51 C ATOM 2011 CG LYS B 38 5.579 1.170 -6.332 1.00 0.65 C ATOM 2012 CD LYS B 38 4.308 0.931 -5.526 1.00 0.80 C ATOM 2013 CE LYS B 38 3.092 1.553 -6.192 1.00 1.18 C ATOM 2014 NZ LYS B 38 1.858 1.330 -5.390 1.00 1.38 N ATOM 0 H LYS B 38 8.084 2.665 -4.884 1.00 0.41 H new ATOM 0 HA LYS B 38 7.550 2.290 -7.739 1.00 0.46 H new ATOM 0 HB2 LYS B 38 5.896 3.025 -5.315 1.00 0.51 H new ATOM 0 HB3 LYS B 38 5.274 3.197 -6.944 1.00 0.51 H new ATOM 0 HG2 LYS B 38 5.427 0.836 -7.358 1.00 0.65 H new ATOM 0 HG3 LYS B 38 6.390 0.571 -5.918 1.00 0.65 H new ATOM 0 HD2 LYS B 38 4.149 -0.141 -5.407 1.00 0.80 H new ATOM 0 HD3 LYS B 38 4.428 1.348 -4.526 1.00 0.80 H new ATOM 0 HE2 LYS B 38 3.254 2.623 -6.322 1.00 1.18 H new ATOM 0 HE3 LYS B 38 2.963 1.127 -7.187 1.00 1.18 H new ATOM 0 HZ1 LYS B 38 1.107 1.967 -5.724 1.00 1.38 H new ATOM 0 HZ2 LYS B 38 1.548 0.343 -5.497 1.00 1.38 H new ATOM 0 HZ3 LYS B 38 2.056 1.524 -4.388 1.00 1.38 H new ATOM 2028 N THR B 39 7.597 4.681 -8.457 1.00 0.55 N ATOM 2029 CA THR B 39 7.765 6.053 -8.901 1.00 0.60 C ATOM 2030 C THR B 39 6.696 6.405 -9.928 1.00 0.65 C ATOM 2031 O THR B 39 6.056 5.507 -10.484 1.00 0.67 O ATOM 2032 CB THR B 39 9.162 6.255 -9.532 1.00 0.64 C ATOM 2033 OG1 THR B 39 9.449 5.190 -10.453 1.00 0.78 O ATOM 2034 CG2 THR B 39 10.249 6.313 -8.467 1.00 0.68 C ATOM 0 H THR B 39 7.511 4.001 -9.213 1.00 0.55 H new ATOM 0 HA THR B 39 7.669 6.705 -8.033 1.00 0.60 H new ATOM 0 HB THR B 39 9.151 7.206 -10.064 1.00 0.64 H new ATOM 0 HG1 THR B 39 8.673 4.594 -10.516 1.00 0.78 H new ATOM 0 HG21 THR B 39 11.219 6.456 -8.944 1.00 0.68 H new ATOM 0 HG22 THR B 39 10.052 7.145 -7.791 1.00 0.68 H new ATOM 0 HG23 THR B 39 10.256 5.380 -7.903 1.00 0.68 H new ATOM 2042 N PRO B 40 6.468 7.707 -10.189 1.00 0.71 N ATOM 2043 CA PRO B 40 5.486 8.151 -11.187 1.00 0.78 C ATOM 2044 C PRO B 40 6.015 7.932 -12.604 1.00 0.81 C ATOM 2045 O PRO B 40 5.930 8.808 -13.466 1.00 0.87 O ATOM 2046 CB PRO B 40 5.341 9.643 -10.886 1.00 0.83 C ATOM 2047 CG PRO B 40 6.647 10.040 -10.300 1.00 0.85 C ATOM 2048 CD PRO B 40 7.122 8.849 -9.515 1.00 0.73 C ATOM 0 HA PRO B 40 4.543 7.607 -11.135 1.00 0.78 H new ATOM 0 HB2 PRO B 40 5.125 10.210 -11.791 1.00 0.83 H new ATOM 0 HB3 PRO B 40 4.522 9.829 -10.191 1.00 0.83 H new ATOM 0 HG2 PRO B 40 7.361 10.305 -11.080 1.00 0.85 H new ATOM 0 HG3 PRO B 40 6.538 10.914 -9.658 1.00 0.85 H new ATOM 0 HD2 PRO B 40 8.208 8.760 -9.538 1.00 0.73 H new ATOM 0 HD3 PRO B 40 6.830 8.917 -8.467 1.00 0.73 H new ATOM 2056 N LYS B 41 6.540 6.742 -12.834 1.00 0.82 N ATOM 2057 CA LYS B 41 7.121 6.380 -14.119 1.00 0.87 C ATOM 2058 C LYS B 41 7.219 4.866 -14.243 1.00 0.84 C ATOM 2059 O LYS B 41 6.798 4.283 -15.243 1.00 0.92 O ATOM 2060 CB LYS B 41 8.510 7.020 -14.263 1.00 0.93 C ATOM 2061 CG LYS B 41 9.213 6.692 -15.576 1.00 1.13 C ATOM 2062 CD LYS B 41 10.180 7.794 -15.995 1.00 1.21 C ATOM 2063 CE LYS B 41 11.406 7.851 -15.097 1.00 1.44 C ATOM 2064 NZ LYS B 41 12.256 9.037 -15.396 1.00 1.37 N ATOM 0 H LYS B 41 6.577 5.998 -12.137 1.00 0.82 H new ATOM 0 HA LYS B 41 6.478 6.752 -14.917 1.00 0.87 H new ATOM 0 HB2 LYS B 41 8.410 8.102 -14.177 1.00 0.93 H new ATOM 0 HB3 LYS B 41 9.138 6.691 -13.435 1.00 0.93 H new ATOM 0 HG2 LYS B 41 9.756 5.753 -15.472 1.00 1.13 H new ATOM 0 HG3 LYS B 41 8.469 6.545 -16.359 1.00 1.13 H new ATOM 0 HD2 LYS B 41 10.493 7.628 -17.026 1.00 1.21 H new ATOM 0 HD3 LYS B 41 9.667 8.755 -15.969 1.00 1.21 H new ATOM 0 HE2 LYS B 41 11.091 7.883 -14.054 1.00 1.44 H new ATOM 0 HE3 LYS B 41 11.993 6.942 -15.225 1.00 1.44 H new ATOM 0 HZ1 LYS B 41 13.082 9.041 -14.763 1.00 1.37 H new ATOM 0 HZ2 LYS B 41 12.577 8.994 -16.384 1.00 1.37 H new ATOM 0 HZ3 LYS B 41 11.704 9.906 -15.249 1.00 1.37 H new ATOM 2078 N GLU B 42 7.768 4.231 -13.213 1.00 0.77 N ATOM 2079 CA GLU B 42 7.924 2.786 -13.201 1.00 0.75 C ATOM 2080 C GLU B 42 8.152 2.285 -11.776 1.00 0.70 C ATOM 2081 O GLU B 42 7.902 3.003 -10.805 1.00 0.73 O ATOM 2082 CB GLU B 42 9.089 2.376 -14.112 1.00 0.83 C ATOM 2083 CG GLU B 42 8.756 1.204 -15.021 1.00 1.03 C ATOM 2084 CD GLU B 42 9.701 1.094 -16.198 1.00 1.08 C ATOM 2085 OE1 GLU B 42 9.422 1.709 -17.252 1.00 1.41 O ATOM 2086 OE2 GLU B 42 10.717 0.381 -16.086 1.00 1.28 O ATOM 0 H GLU B 42 8.113 4.698 -12.374 1.00 0.77 H new ATOM 0 HA GLU B 42 7.009 2.330 -13.579 1.00 0.75 H new ATOM 0 HB2 GLU B 42 9.381 3.230 -14.723 1.00 0.83 H new ATOM 0 HB3 GLU B 42 9.949 2.116 -13.495 1.00 0.83 H new ATOM 0 HG2 GLU B 42 8.791 0.280 -14.444 1.00 1.03 H new ATOM 0 HG3 GLU B 42 7.735 1.312 -15.388 1.00 1.03 H new ATOM 2093 N LYS B 43 8.620 1.054 -11.658 1.00 0.68 N ATOM 2094 CA LYS B 43 8.892 0.454 -10.360 1.00 0.64 C ATOM 2095 C LYS B 43 10.248 -0.234 -10.387 1.00 0.63 C ATOM 2096 O LYS B 43 10.401 -1.306 -10.974 1.00 0.74 O ATOM 2097 CB LYS B 43 7.796 -0.554 -9.995 1.00 0.67 C ATOM 2098 CG LYS B 43 7.913 -1.093 -8.578 1.00 0.67 C ATOM 2099 CD LYS B 43 6.854 -2.145 -8.283 1.00 0.74 C ATOM 2100 CE LYS B 43 7.136 -3.449 -9.019 1.00 0.83 C ATOM 2101 NZ LYS B 43 6.134 -4.501 -8.697 1.00 0.98 N ATOM 0 H LYS B 43 8.821 0.445 -12.451 1.00 0.68 H new ATOM 0 HA LYS B 43 8.903 1.239 -9.604 1.00 0.64 H new ATOM 0 HB2 LYS B 43 6.822 -0.079 -10.115 1.00 0.67 H new ATOM 0 HB3 LYS B 43 7.832 -1.388 -10.696 1.00 0.67 H new ATOM 0 HG2 LYS B 43 8.904 -1.524 -8.434 1.00 0.67 H new ATOM 0 HG3 LYS B 43 7.817 -0.272 -7.868 1.00 0.67 H new ATOM 0 HD2 LYS B 43 6.817 -2.333 -7.210 1.00 0.74 H new ATOM 0 HD3 LYS B 43 5.874 -1.767 -8.574 1.00 0.74 H new ATOM 0 HE2 LYS B 43 7.136 -3.266 -10.093 1.00 0.83 H new ATOM 0 HE3 LYS B 43 8.132 -3.805 -8.756 1.00 0.83 H new ATOM 0 HZ1 LYS B 43 6.364 -5.371 -9.219 1.00 0.98 H new ATOM 0 HZ2 LYS B 43 6.151 -4.696 -7.675 1.00 0.98 H new ATOM 0 HZ3 LYS B 43 5.186 -4.173 -8.971 1.00 0.98 H new ATOM 2115 N GLU B 44 11.231 0.386 -9.758 1.00 0.59 N ATOM 2116 CA GLU B 44 12.579 -0.156 -9.728 1.00 0.60 C ATOM 2117 C GLU B 44 12.897 -0.736 -8.358 1.00 0.56 C ATOM 2118 O GLU B 44 12.291 -0.357 -7.357 1.00 0.60 O ATOM 2119 CB GLU B 44 13.594 0.931 -10.077 1.00 0.64 C ATOM 2120 CG GLU B 44 14.542 0.544 -11.201 1.00 0.81 C ATOM 2121 CD GLU B 44 13.830 0.355 -12.526 1.00 1.02 C ATOM 2122 OE1 GLU B 44 13.567 1.365 -13.211 1.00 1.21 O ATOM 2123 OE2 GLU B 44 13.551 -0.804 -12.899 1.00 1.24 O ATOM 0 H GLU B 44 11.121 1.269 -9.259 1.00 0.59 H new ATOM 0 HA GLU B 44 12.640 -0.954 -10.468 1.00 0.60 H new ATOM 0 HB2 GLU B 44 13.059 1.837 -10.361 1.00 0.64 H new ATOM 0 HB3 GLU B 44 14.177 1.170 -9.188 1.00 0.64 H new ATOM 0 HG2 GLU B 44 15.305 1.315 -11.310 1.00 0.81 H new ATOM 0 HG3 GLU B 44 15.057 -0.379 -10.935 1.00 0.81 H new ATOM 2130 N GLU B 45 13.847 -1.653 -8.318 1.00 0.56 N ATOM 2131 CA GLU B 45 14.246 -2.281 -7.072 1.00 0.53 C ATOM 2132 C GLU B 45 15.700 -1.950 -6.755 1.00 0.55 C ATOM 2133 O GLU B 45 16.555 -1.933 -7.645 1.00 0.64 O ATOM 2134 CB GLU B 45 14.040 -3.795 -7.160 1.00 0.57 C ATOM 2135 CG GLU B 45 13.962 -4.480 -5.803 1.00 0.58 C ATOM 2136 CD GLU B 45 13.360 -5.868 -5.882 1.00 0.76 C ATOM 2137 OE1 GLU B 45 14.048 -6.795 -6.364 1.00 0.99 O ATOM 2138 OE2 GLU B 45 12.193 -6.041 -5.458 1.00 0.94 O ATOM 0 H GLU B 45 14.358 -1.980 -9.138 1.00 0.56 H new ATOM 0 HA GLU B 45 13.625 -1.894 -6.264 1.00 0.53 H new ATOM 0 HB2 GLU B 45 13.122 -3.997 -7.713 1.00 0.57 H new ATOM 0 HB3 GLU B 45 14.859 -4.232 -7.732 1.00 0.57 H new ATOM 0 HG2 GLU B 45 14.963 -4.546 -5.376 1.00 0.58 H new ATOM 0 HG3 GLU B 45 13.366 -3.868 -5.126 1.00 0.58 H new ATOM 2145 N PHE B 46 15.969 -1.664 -5.491 1.00 0.51 N ATOM 2146 CA PHE B 46 17.313 -1.334 -5.042 1.00 0.54 C ATOM 2147 C PHE B 46 17.863 -2.457 -4.167 1.00 0.54 C ATOM 2148 O PHE B 46 17.117 -3.339 -3.735 1.00 0.54 O ATOM 2149 CB PHE B 46 17.308 -0.020 -4.255 1.00 0.53 C ATOM 2150 CG PHE B 46 17.284 1.216 -5.112 1.00 0.58 C ATOM 2151 CD1 PHE B 46 16.103 1.653 -5.695 1.00 0.72 C ATOM 2152 CD2 PHE B 46 18.439 1.947 -5.321 1.00 0.78 C ATOM 2153 CE1 PHE B 46 16.080 2.796 -6.471 1.00 0.85 C ATOM 2154 CE2 PHE B 46 18.423 3.090 -6.097 1.00 0.90 C ATOM 2155 CZ PHE B 46 17.242 3.515 -6.672 1.00 0.87 C ATOM 0 H PHE B 46 15.267 -1.654 -4.751 1.00 0.51 H new ATOM 0 HA PHE B 46 17.951 -1.216 -5.918 1.00 0.54 H new ATOM 0 HB2 PHE B 46 16.439 -0.008 -3.597 1.00 0.53 H new ATOM 0 HB3 PHE B 46 18.192 0.011 -3.618 1.00 0.53 H new ATOM 0 HD1 PHE B 46 15.192 1.094 -5.541 1.00 0.72 H new ATOM 0 HD2 PHE B 46 19.365 1.620 -4.872 1.00 0.78 H new ATOM 0 HE1 PHE B 46 15.155 3.127 -6.920 1.00 0.85 H new ATOM 0 HE2 PHE B 46 19.333 3.650 -6.254 1.00 0.90 H new ATOM 0 HZ PHE B 46 17.227 4.409 -7.278 1.00 0.87 H new ATOM 2165 N ALA B 47 19.164 -2.424 -3.916 1.00 0.57 N ATOM 2166 CA ALA B 47 19.815 -3.431 -3.091 1.00 0.60 C ATOM 2167 C ALA B 47 20.792 -2.774 -2.121 1.00 0.60 C ATOM 2168 O ALA B 47 21.924 -2.451 -2.486 1.00 0.66 O ATOM 2169 CB ALA B 47 20.535 -4.449 -3.964 1.00 0.69 C ATOM 0 H ALA B 47 19.793 -1.706 -4.275 1.00 0.57 H new ATOM 0 HA ALA B 47 19.051 -3.951 -2.513 1.00 0.60 H new ATOM 0 HB1 ALA B 47 21.016 -5.195 -3.332 1.00 0.69 H new ATOM 0 HB2 ALA B 47 19.816 -4.939 -4.620 1.00 0.69 H new ATOM 0 HB3 ALA B 47 21.289 -3.943 -4.567 1.00 0.69 H new ATOM 2175 N VAL B 48 20.344 -2.560 -0.892 1.00 0.57 N ATOM 2176 CA VAL B 48 21.176 -1.927 0.124 1.00 0.59 C ATOM 2177 C VAL B 48 21.301 -2.816 1.358 1.00 0.58 C ATOM 2178 O VAL B 48 20.374 -3.553 1.695 1.00 0.57 O ATOM 2179 CB VAL B 48 20.621 -0.548 0.544 1.00 0.59 C ATOM 2180 CG1 VAL B 48 20.880 0.487 -0.541 1.00 0.66 C ATOM 2181 CG2 VAL B 48 19.133 -0.629 0.855 1.00 0.56 C ATOM 0 H VAL B 48 19.409 -2.815 -0.573 1.00 0.57 H new ATOM 0 HA VAL B 48 22.160 -1.783 -0.321 1.00 0.59 H new ATOM 0 HB VAL B 48 21.141 -0.239 1.451 1.00 0.59 H new ATOM 0 HG11 VAL B 48 20.482 1.452 -0.226 1.00 0.66 H new ATOM 0 HG12 VAL B 48 21.953 0.575 -0.711 1.00 0.66 H new ATOM 0 HG13 VAL B 48 20.391 0.176 -1.464 1.00 0.66 H new ATOM 0 HG21 VAL B 48 18.768 0.356 1.148 1.00 0.56 H new ATOM 0 HG22 VAL B 48 18.594 -0.967 -0.030 1.00 0.56 H new ATOM 0 HG23 VAL B 48 18.970 -1.334 1.670 1.00 0.56 H new ATOM 2191 N PRO B 49 22.463 -2.788 2.022 1.00 0.62 N ATOM 2192 CA PRO B 49 22.698 -3.584 3.230 1.00 0.63 C ATOM 2193 C PRO B 49 21.832 -3.131 4.409 1.00 0.60 C ATOM 2194 O PRO B 49 21.504 -1.950 4.547 1.00 0.61 O ATOM 2195 CB PRO B 49 24.184 -3.372 3.529 1.00 0.69 C ATOM 2196 CG PRO B 49 24.570 -2.125 2.811 1.00 0.79 C ATOM 2197 CD PRO B 49 23.648 -2.001 1.632 1.00 0.67 C ATOM 0 HA PRO B 49 22.435 -4.631 3.079 1.00 0.63 H new ATOM 0 HB2 PRO B 49 24.357 -3.275 4.601 1.00 0.69 H new ATOM 0 HB3 PRO B 49 24.777 -4.220 3.186 1.00 0.69 H new ATOM 0 HG2 PRO B 49 24.480 -1.258 3.466 1.00 0.79 H new ATOM 0 HG3 PRO B 49 25.609 -2.172 2.486 1.00 0.79 H new ATOM 0 HD2 PRO B 49 23.389 -0.961 1.435 1.00 0.67 H new ATOM 0 HD3 PRO B 49 24.106 -2.393 0.724 1.00 0.67 H new ATOM 2205 N GLU B 50 21.495 -4.089 5.264 1.00 0.61 N ATOM 2206 CA GLU B 50 20.648 -3.870 6.437 1.00 0.61 C ATOM 2207 C GLU B 50 21.316 -2.986 7.501 1.00 0.67 C ATOM 2208 O GLU B 50 20.695 -2.638 8.505 1.00 1.01 O ATOM 2209 CB GLU B 50 20.295 -5.231 7.043 1.00 0.68 C ATOM 2210 CG GLU B 50 19.078 -5.219 7.951 1.00 0.86 C ATOM 2211 CD GLU B 50 18.930 -6.516 8.716 1.00 0.93 C ATOM 2212 OE1 GLU B 50 19.592 -6.671 9.768 1.00 1.12 O ATOM 2213 OE2 GLU B 50 18.159 -7.395 8.266 1.00 1.08 O ATOM 0 H GLU B 50 21.806 -5.055 5.163 1.00 0.61 H new ATOM 0 HA GLU B 50 19.753 -3.341 6.109 1.00 0.61 H new ATOM 0 HB2 GLU B 50 20.122 -5.941 6.234 1.00 0.68 H new ATOM 0 HB3 GLU B 50 21.152 -5.596 7.610 1.00 0.68 H new ATOM 0 HG2 GLU B 50 19.158 -4.390 8.654 1.00 0.86 H new ATOM 0 HG3 GLU B 50 18.182 -5.045 7.355 1.00 0.86 H new ATOM 2220 N ASN B 51 22.568 -2.611 7.285 1.00 0.67 N ATOM 2221 CA ASN B 51 23.279 -1.783 8.257 1.00 0.69 C ATOM 2222 C ASN B 51 23.577 -0.387 7.700 1.00 0.71 C ATOM 2223 O ASN B 51 24.593 0.226 8.036 1.00 0.96 O ATOM 2224 CB ASN B 51 24.578 -2.474 8.704 1.00 0.76 C ATOM 2225 CG ASN B 51 25.611 -2.577 7.598 1.00 0.86 C ATOM 2226 OD1 ASN B 51 25.273 -2.623 6.414 1.00 0.87 O ATOM 2227 ND2 ASN B 51 26.879 -2.612 7.974 1.00 1.20 N ATOM 0 H ASN B 51 23.110 -2.861 6.458 1.00 0.67 H new ATOM 0 HA ASN B 51 22.630 -1.660 9.124 1.00 0.69 H new ATOM 0 HB2 ASN B 51 25.006 -1.923 9.542 1.00 0.76 H new ATOM 0 HB3 ASN B 51 24.343 -3.474 9.067 1.00 0.76 H new ATOM 0 HD21 ASN B 51 27.617 -2.679 7.273 1.00 1.20 H new ATOM 0 HD22 ASN B 51 27.118 -2.572 8.965 1.00 1.20 H new ATOM 2234 N SER B 52 22.687 0.118 6.860 1.00 0.65 N ATOM 2235 CA SER B 52 22.859 1.445 6.277 1.00 0.67 C ATOM 2236 C SER B 52 21.716 2.373 6.689 1.00 0.63 C ATOM 2237 O SER B 52 20.578 1.929 6.869 1.00 0.68 O ATOM 2238 CB SER B 52 22.952 1.343 4.753 1.00 0.71 C ATOM 2239 OG SER B 52 23.985 0.448 4.376 1.00 0.86 O ATOM 0 H SER B 52 21.839 -0.367 6.566 1.00 0.65 H new ATOM 0 HA SER B 52 23.788 1.871 6.655 1.00 0.67 H new ATOM 0 HB2 SER B 52 22.000 1.000 4.347 1.00 0.71 H new ATOM 0 HB3 SER B 52 23.144 2.328 4.328 1.00 0.71 H new ATOM 0 HG SER B 52 24.378 0.741 3.528 1.00 0.86 H new ATOM 2245 N SER B 53 22.025 3.654 6.841 1.00 0.65 N ATOM 2246 CA SER B 53 21.034 4.645 7.247 1.00 0.64 C ATOM 2247 C SER B 53 20.174 5.096 6.062 1.00 0.57 C ATOM 2248 O SER B 53 20.419 4.708 4.915 1.00 0.58 O ATOM 2249 CB SER B 53 21.740 5.836 7.891 1.00 0.75 C ATOM 2250 OG SER B 53 22.789 5.393 8.741 1.00 0.89 O ATOM 0 H SER B 53 22.959 4.034 6.689 1.00 0.65 H new ATOM 0 HA SER B 53 20.364 4.188 7.975 1.00 0.64 H new ATOM 0 HB2 SER B 53 22.143 6.490 7.117 1.00 0.75 H new ATOM 0 HB3 SER B 53 21.024 6.424 8.464 1.00 0.75 H new ATOM 0 HG SER B 53 23.232 6.168 9.145 1.00 0.89 H new ATOM 2256 N VAL B 54 19.177 5.927 6.345 1.00 0.54 N ATOM 2257 CA VAL B 54 18.257 6.412 5.321 1.00 0.49 C ATOM 2258 C VAL B 54 18.919 7.433 4.402 1.00 0.48 C ATOM 2259 O VAL B 54 18.675 7.434 3.197 1.00 0.47 O ATOM 2260 CB VAL B 54 16.998 7.044 5.945 1.00 0.52 C ATOM 2261 CG1 VAL B 54 15.917 7.252 4.893 1.00 0.57 C ATOM 2262 CG2 VAL B 54 16.480 6.185 7.083 1.00 0.58 C ATOM 0 H VAL B 54 18.984 6.281 7.282 1.00 0.54 H new ATOM 0 HA VAL B 54 17.969 5.540 4.733 1.00 0.49 H new ATOM 0 HB VAL B 54 17.270 8.020 6.347 1.00 0.52 H new ATOM 0 HG11 VAL B 54 15.038 7.699 5.358 1.00 0.57 H new ATOM 0 HG12 VAL B 54 16.291 7.914 4.113 1.00 0.57 H new ATOM 0 HG13 VAL B 54 15.646 6.291 4.455 1.00 0.57 H new ATOM 0 HG21 VAL B 54 15.591 6.647 7.512 1.00 0.58 H new ATOM 0 HG22 VAL B 54 16.228 5.194 6.705 1.00 0.58 H new ATOM 0 HG23 VAL B 54 17.249 6.096 7.851 1.00 0.58 H new ATOM 2272 N GLN B 55 19.754 8.298 4.974 1.00 0.53 N ATOM 2273 CA GLN B 55 20.447 9.328 4.199 1.00 0.58 C ATOM 2274 C GLN B 55 21.190 8.725 3.009 1.00 0.58 C ATOM 2275 O GLN B 55 21.107 9.237 1.892 1.00 0.64 O ATOM 2276 CB GLN B 55 21.427 10.096 5.084 1.00 0.67 C ATOM 2277 CG GLN B 55 20.770 11.160 5.945 1.00 0.88 C ATOM 2278 CD GLN B 55 21.758 12.209 6.414 1.00 0.92 C ATOM 2279 OE1 GLN B 55 22.711 12.539 5.705 1.00 1.13 O ATOM 2280 NE2 GLN B 55 21.546 12.737 7.609 1.00 1.23 N ATOM 0 H GLN B 55 19.968 8.307 5.971 1.00 0.53 H new ATOM 0 HA GLN B 55 19.692 10.016 3.819 1.00 0.58 H new ATOM 0 HB2 GLN B 55 21.949 9.390 5.730 1.00 0.67 H new ATOM 0 HB3 GLN B 55 22.180 10.567 4.452 1.00 0.67 H new ATOM 0 HG2 GLN B 55 19.973 11.642 5.379 1.00 0.88 H new ATOM 0 HG3 GLN B 55 20.306 10.688 6.811 1.00 0.88 H new ATOM 0 HE21 GLN B 55 20.745 12.436 8.165 1.00 1.23 H new ATOM 0 HE22 GLN B 55 22.183 13.445 7.974 1.00 1.23 H new ATOM 2289 N GLN B 56 21.900 7.629 3.257 1.00 0.56 N ATOM 2290 CA GLN B 56 22.663 6.951 2.215 1.00 0.60 C ATOM 2291 C GLN B 56 21.747 6.479 1.090 1.00 0.55 C ATOM 2292 O GLN B 56 22.076 6.604 -0.090 1.00 0.62 O ATOM 2293 CB GLN B 56 23.405 5.752 2.805 1.00 0.65 C ATOM 2294 CG GLN B 56 24.800 5.554 2.238 1.00 0.80 C ATOM 2295 CD GLN B 56 25.818 6.473 2.881 1.00 1.02 C ATOM 2296 OE1 GLN B 56 26.402 6.143 3.912 1.00 1.35 O ATOM 2297 NE2 GLN B 56 26.043 7.627 2.277 1.00 1.27 N ATOM 0 H GLN B 56 21.963 7.190 4.175 1.00 0.56 H new ATOM 0 HA GLN B 56 23.382 7.660 1.806 1.00 0.60 H new ATOM 0 HB2 GLN B 56 23.477 5.877 3.885 1.00 0.65 H new ATOM 0 HB3 GLN B 56 22.819 4.850 2.626 1.00 0.65 H new ATOM 0 HG2 GLN B 56 25.106 4.518 2.384 1.00 0.80 H new ATOM 0 HG3 GLN B 56 24.781 5.732 1.163 1.00 0.80 H new ATOM 0 HE21 GLN B 56 25.537 7.863 1.423 1.00 1.27 H new ATOM 0 HE22 GLN B 56 26.722 8.282 2.665 1.00 1.27 H new ATOM 2306 N PHE B 57 20.594 5.944 1.469 1.00 0.50 N ATOM 2307 CA PHE B 57 19.620 5.439 0.510 1.00 0.49 C ATOM 2308 C PHE B 57 19.003 6.578 -0.299 1.00 0.47 C ATOM 2309 O PHE B 57 18.868 6.484 -1.520 1.00 0.49 O ATOM 2310 CB PHE B 57 18.527 4.655 1.244 1.00 0.48 C ATOM 2311 CG PHE B 57 17.520 4.009 0.333 1.00 0.50 C ATOM 2312 CD1 PHE B 57 17.923 3.116 -0.646 1.00 0.56 C ATOM 2313 CD2 PHE B 57 16.170 4.290 0.465 1.00 0.53 C ATOM 2314 CE1 PHE B 57 17.001 2.516 -1.478 1.00 0.64 C ATOM 2315 CE2 PHE B 57 15.242 3.694 -0.365 1.00 0.59 C ATOM 2316 CZ PHE B 57 15.658 2.805 -1.338 1.00 0.64 C ATOM 0 H PHE B 57 20.308 5.848 2.444 1.00 0.50 H new ATOM 0 HA PHE B 57 20.134 4.775 -0.185 1.00 0.49 H new ATOM 0 HB2 PHE B 57 18.996 3.884 1.855 1.00 0.48 H new ATOM 0 HB3 PHE B 57 18.006 5.328 1.925 1.00 0.48 H new ATOM 0 HD1 PHE B 57 18.972 2.887 -0.759 1.00 0.56 H new ATOM 0 HD2 PHE B 57 15.840 4.983 1.225 1.00 0.53 H new ATOM 0 HE1 PHE B 57 17.329 1.822 -2.237 1.00 0.64 H new ATOM 0 HE2 PHE B 57 14.192 3.922 -0.254 1.00 0.59 H new ATOM 0 HZ PHE B 57 14.934 2.337 -1.988 1.00 0.64 H new ATOM 2326 N LYS B 58 18.646 7.658 0.386 1.00 0.47 N ATOM 2327 CA LYS B 58 18.045 8.811 -0.270 1.00 0.48 C ATOM 2328 C LYS B 58 18.980 9.381 -1.329 1.00 0.49 C ATOM 2329 O LYS B 58 18.602 9.531 -2.493 1.00 0.53 O ATOM 2330 CB LYS B 58 17.699 9.894 0.755 1.00 0.53 C ATOM 2331 CG LYS B 58 16.497 9.562 1.625 1.00 0.62 C ATOM 2332 CD LYS B 58 16.121 10.727 2.531 1.00 0.70 C ATOM 2333 CE LYS B 58 15.502 11.872 1.742 1.00 0.77 C ATOM 2334 NZ LYS B 58 15.630 13.172 2.454 1.00 1.01 N ATOM 0 H LYS B 58 18.762 7.759 1.394 1.00 0.47 H new ATOM 0 HA LYS B 58 17.128 8.479 -0.757 1.00 0.48 H new ATOM 0 HB2 LYS B 58 18.564 10.062 1.397 1.00 0.53 H new ATOM 0 HB3 LYS B 58 17.507 10.829 0.229 1.00 0.53 H new ATOM 0 HG2 LYS B 58 15.648 9.305 0.991 1.00 0.62 H new ATOM 0 HG3 LYS B 58 16.718 8.685 2.233 1.00 0.62 H new ATOM 0 HD2 LYS B 58 15.418 10.386 3.291 1.00 0.70 H new ATOM 0 HD3 LYS B 58 17.008 11.083 3.055 1.00 0.70 H new ATOM 0 HE2 LYS B 58 15.985 11.943 0.767 1.00 0.77 H new ATOM 0 HE3 LYS B 58 14.448 11.660 1.561 1.00 0.77 H new ATOM 0 HZ1 LYS B 58 15.790 13.932 1.763 1.00 1.01 H new ATOM 0 HZ2 LYS B 58 14.757 13.365 2.985 1.00 1.01 H new ATOM 0 HZ3 LYS B 58 16.433 13.129 3.113 1.00 1.01 H new ATOM 2348 N GLU B 59 20.211 9.676 -0.931 1.00 0.51 N ATOM 2349 CA GLU B 59 21.194 10.229 -1.853 1.00 0.56 C ATOM 2350 C GLU B 59 21.500 9.246 -2.979 1.00 0.57 C ATOM 2351 O GLU B 59 21.873 9.648 -4.082 1.00 0.65 O ATOM 2352 CB GLU B 59 22.465 10.615 -1.105 1.00 0.63 C ATOM 2353 CG GLU B 59 22.231 11.688 -0.051 1.00 1.06 C ATOM 2354 CD GLU B 59 23.514 12.220 0.552 1.00 0.97 C ATOM 2355 OE1 GLU B 59 24.589 11.644 0.284 1.00 1.30 O ATOM 2356 OE2 GLU B 59 23.451 13.225 1.299 1.00 1.14 O ATOM 0 H GLU B 59 20.552 9.542 0.021 1.00 0.51 H new ATOM 0 HA GLU B 59 20.774 11.129 -2.303 1.00 0.56 H new ATOM 0 HB2 GLU B 59 22.882 9.729 -0.627 1.00 0.63 H new ATOM 0 HB3 GLU B 59 23.207 10.971 -1.820 1.00 0.63 H new ATOM 0 HG2 GLU B 59 21.678 12.514 -0.499 1.00 1.06 H new ATOM 0 HG3 GLU B 59 21.606 11.279 0.743 1.00 1.06 H new ATOM 2363 N ALA B 60 21.331 7.957 -2.703 1.00 0.55 N ATOM 2364 CA ALA B 60 21.570 6.929 -3.706 1.00 0.57 C ATOM 2365 C ALA B 60 20.536 7.027 -4.821 1.00 0.56 C ATOM 2366 O ALA B 60 20.882 7.036 -6.003 1.00 0.59 O ATOM 2367 CB ALA B 60 21.543 5.545 -3.077 1.00 0.59 C ATOM 0 H ALA B 60 21.030 7.601 -1.795 1.00 0.55 H new ATOM 0 HA ALA B 60 22.560 7.090 -4.133 1.00 0.57 H new ATOM 0 HB1 ALA B 60 21.724 4.793 -3.845 1.00 0.59 H new ATOM 0 HB2 ALA B 60 22.318 5.477 -2.313 1.00 0.59 H new ATOM 0 HB3 ALA B 60 20.568 5.371 -2.621 1.00 0.59 H new ATOM 2373 N ILE B 61 19.265 7.125 -4.435 1.00 0.52 N ATOM 2374 CA ILE B 61 18.175 7.235 -5.399 1.00 0.52 C ATOM 2375 C ILE B 61 18.365 8.466 -6.280 1.00 0.55 C ATOM 2376 O ILE B 61 18.150 8.417 -7.486 1.00 0.59 O ATOM 2377 CB ILE B 61 16.801 7.325 -4.703 1.00 0.50 C ATOM 2378 CG1 ILE B 61 16.569 6.102 -3.812 1.00 0.51 C ATOM 2379 CG2 ILE B 61 15.686 7.450 -5.735 1.00 0.52 C ATOM 2380 CD1 ILE B 61 15.310 6.189 -2.980 1.00 0.56 C ATOM 0 H ILE B 61 18.966 7.130 -3.460 1.00 0.52 H new ATOM 0 HA ILE B 61 18.197 6.332 -6.010 1.00 0.52 H new ATOM 0 HB ILE B 61 16.792 8.216 -4.075 1.00 0.50 H new ATOM 0 HG12 ILE B 61 16.520 5.211 -4.438 1.00 0.51 H new ATOM 0 HG13 ILE B 61 17.425 5.979 -3.149 1.00 0.51 H new ATOM 0 HG21 ILE B 61 14.724 7.512 -5.226 1.00 0.52 H new ATOM 0 HG22 ILE B 61 15.840 8.350 -6.330 1.00 0.52 H new ATOM 0 HG23 ILE B 61 15.695 6.577 -6.388 1.00 0.52 H new ATOM 0 HD11 ILE B 61 15.211 5.288 -2.374 1.00 0.56 H new ATOM 0 HD12 ILE B 61 15.364 7.061 -2.328 1.00 0.56 H new ATOM 0 HD13 ILE B 61 14.445 6.281 -3.637 1.00 0.56 H new ATOM 2392 N SER B 62 18.796 9.562 -5.665 1.00 0.55 N ATOM 2393 CA SER B 62 19.019 10.813 -6.382 1.00 0.59 C ATOM 2394 C SER B 62 20.092 10.650 -7.460 1.00 0.63 C ATOM 2395 O SER B 62 19.964 11.175 -8.563 1.00 0.70 O ATOM 2396 CB SER B 62 19.441 11.908 -5.399 1.00 0.61 C ATOM 2397 OG SER B 62 18.755 11.780 -4.164 1.00 0.70 O ATOM 0 H SER B 62 18.999 9.609 -4.667 1.00 0.55 H new ATOM 0 HA SER B 62 18.085 11.095 -6.868 1.00 0.59 H new ATOM 0 HB2 SER B 62 20.516 11.853 -5.228 1.00 0.61 H new ATOM 0 HB3 SER B 62 19.237 12.887 -5.832 1.00 0.61 H new ATOM 0 HG SER B 62 17.877 12.209 -4.232 1.00 0.70 H new ATOM 2403 N LYS B 63 21.130 9.893 -7.139 1.00 0.63 N ATOM 2404 CA LYS B 63 22.240 9.669 -8.059 1.00 0.69 C ATOM 2405 C LYS B 63 21.874 8.677 -9.165 1.00 0.71 C ATOM 2406 O LYS B 63 22.408 8.741 -10.273 1.00 0.82 O ATOM 2407 CB LYS B 63 23.451 9.145 -7.280 1.00 0.72 C ATOM 2408 CG LYS B 63 24.790 9.563 -7.863 1.00 0.84 C ATOM 2409 CD LYS B 63 25.087 11.022 -7.576 1.00 1.00 C ATOM 2410 CE LYS B 63 26.456 11.425 -8.099 1.00 1.04 C ATOM 2411 NZ LYS B 63 26.523 11.369 -9.582 1.00 1.28 N ATOM 0 H LYS B 63 21.229 9.419 -6.241 1.00 0.63 H new ATOM 0 HA LYS B 63 22.479 10.621 -8.533 1.00 0.69 H new ATOM 0 HB2 LYS B 63 23.388 9.498 -6.251 1.00 0.72 H new ATOM 0 HB3 LYS B 63 23.405 8.056 -7.247 1.00 0.72 H new ATOM 0 HG2 LYS B 63 25.581 8.940 -7.445 1.00 0.84 H new ATOM 0 HG3 LYS B 63 24.788 9.396 -8.940 1.00 0.84 H new ATOM 0 HD2 LYS B 63 24.322 11.647 -8.036 1.00 1.00 H new ATOM 0 HD3 LYS B 63 25.040 11.199 -6.502 1.00 1.00 H new ATOM 0 HE2 LYS B 63 26.689 12.435 -7.763 1.00 1.04 H new ATOM 0 HE3 LYS B 63 27.214 10.766 -7.677 1.00 1.04 H new ATOM 0 HZ1 LYS B 63 27.416 11.794 -9.905 1.00 1.28 H new ATOM 0 HZ2 LYS B 63 26.478 10.378 -9.894 1.00 1.28 H new ATOM 0 HZ3 LYS B 63 25.723 11.896 -9.986 1.00 1.28 H new ATOM 2425 N ARG B 64 20.959 7.764 -8.864 1.00 0.67 N ATOM 2426 CA ARG B 64 20.559 6.747 -9.830 1.00 0.70 C ATOM 2427 C ARG B 64 19.361 7.186 -10.678 1.00 0.70 C ATOM 2428 O ARG B 64 19.407 7.120 -11.908 1.00 0.75 O ATOM 2429 CB ARG B 64 20.229 5.435 -9.111 1.00 0.70 C ATOM 2430 CG ARG B 64 21.344 4.916 -8.206 1.00 0.72 C ATOM 2431 CD ARG B 64 22.510 4.346 -9.000 1.00 0.81 C ATOM 2432 NE ARG B 64 23.494 5.370 -9.359 1.00 0.84 N ATOM 2433 CZ ARG B 64 24.652 5.561 -8.722 1.00 0.95 C ATOM 2434 NH1 ARG B 64 24.982 4.802 -7.682 1.00 1.05 N ATOM 2435 NH2 ARG B 64 25.487 6.509 -9.135 1.00 1.07 N ATOM 0 H ARG B 64 20.482 7.706 -7.964 1.00 0.67 H new ATOM 0 HA ARG B 64 21.402 6.598 -10.504 1.00 0.70 H new ATOM 0 HB2 ARG B 64 19.329 5.579 -8.513 1.00 0.70 H new ATOM 0 HB3 ARG B 64 19.998 4.674 -9.856 1.00 0.70 H new ATOM 0 HG2 ARG B 64 21.701 5.727 -7.571 1.00 0.72 H new ATOM 0 HG3 ARG B 64 20.945 4.146 -7.546 1.00 0.72 H new ATOM 0 HD2 ARG B 64 22.998 3.566 -8.415 1.00 0.81 H new ATOM 0 HD3 ARG B 64 22.132 3.875 -9.907 1.00 0.81 H new ATOM 0 HE ARG B 64 23.280 5.978 -10.149 1.00 0.84 H new ATOM 0 HH11 ARG B 64 24.349 4.068 -7.365 1.00 1.05 H new ATOM 0 HH12 ARG B 64 25.868 4.954 -7.201 1.00 1.05 H new ATOM 0 HH21 ARG B 64 25.243 7.089 -9.937 1.00 1.07 H new ATOM 0 HH22 ARG B 64 26.372 6.656 -8.649 1.00 1.07 H new ATOM 2449 N PHE B 65 18.298 7.639 -10.029 1.00 0.67 N ATOM 2450 CA PHE B 65 17.087 8.049 -10.736 1.00 0.68 C ATOM 2451 C PHE B 65 17.167 9.491 -11.227 1.00 0.70 C ATOM 2452 O PHE B 65 16.517 9.844 -12.209 1.00 0.75 O ATOM 2453 CB PHE B 65 15.862 7.879 -9.837 1.00 0.66 C ATOM 2454 CG PHE B 65 14.985 6.723 -10.230 1.00 0.68 C ATOM 2455 CD1 PHE B 65 14.061 6.855 -11.256 1.00 0.82 C ATOM 2456 CD2 PHE B 65 15.081 5.509 -9.573 1.00 0.88 C ATOM 2457 CE1 PHE B 65 13.249 5.795 -11.619 1.00 0.97 C ATOM 2458 CE2 PHE B 65 14.274 4.446 -9.931 1.00 1.02 C ATOM 2459 CZ PHE B 65 13.356 4.589 -10.955 1.00 1.00 C ATOM 0 H PHE B 65 18.247 7.733 -9.015 1.00 0.67 H new ATOM 0 HA PHE B 65 16.994 7.404 -11.610 1.00 0.68 H new ATOM 0 HB2 PHE B 65 16.193 7.740 -8.808 1.00 0.66 H new ATOM 0 HB3 PHE B 65 15.273 8.796 -9.861 1.00 0.66 H new ATOM 0 HD1 PHE B 65 13.974 7.797 -11.778 1.00 0.82 H new ATOM 0 HD2 PHE B 65 15.795 5.391 -8.771 1.00 0.88 H new ATOM 0 HE1 PHE B 65 12.533 5.911 -12.420 1.00 0.97 H new ATOM 0 HE2 PHE B 65 14.360 3.503 -9.411 1.00 1.02 H new ATOM 0 HZ PHE B 65 12.724 3.759 -11.235 1.00 1.00 H new ATOM 2469 N LYS B 66 17.963 10.311 -10.540 1.00 0.68 N ATOM 2470 CA LYS B 66 18.133 11.724 -10.890 1.00 0.71 C ATOM 2471 C LYS B 66 16.804 12.473 -10.777 1.00 0.70 C ATOM 2472 O LYS B 66 16.057 12.604 -11.751 1.00 0.83 O ATOM 2473 CB LYS B 66 18.711 11.878 -12.302 1.00 0.79 C ATOM 2474 CG LYS B 66 19.226 13.280 -12.600 1.00 0.93 C ATOM 2475 CD LYS B 66 19.193 13.589 -14.090 1.00 1.05 C ATOM 2476 CE LYS B 66 17.768 13.781 -14.587 1.00 1.07 C ATOM 2477 NZ LYS B 66 17.728 14.363 -15.953 1.00 1.27 N ATOM 0 H LYS B 66 18.507 10.017 -9.728 1.00 0.68 H new ATOM 0 HA LYS B 66 18.840 12.159 -10.183 1.00 0.71 H new ATOM 0 HB2 LYS B 66 19.526 11.165 -12.432 1.00 0.79 H new ATOM 0 HB3 LYS B 66 17.942 11.620 -13.030 1.00 0.79 H new ATOM 0 HG2 LYS B 66 18.621 14.011 -12.064 1.00 0.93 H new ATOM 0 HG3 LYS B 66 20.247 13.378 -12.231 1.00 0.93 H new ATOM 0 HD2 LYS B 66 19.774 14.490 -14.289 1.00 1.05 H new ATOM 0 HD3 LYS B 66 19.666 12.777 -14.642 1.00 1.05 H new ATOM 0 HE2 LYS B 66 17.252 12.821 -14.587 1.00 1.07 H new ATOM 0 HE3 LYS B 66 17.229 14.433 -13.899 1.00 1.07 H new ATOM 0 HZ1 LYS B 66 16.739 14.477 -16.253 1.00 1.27 H new ATOM 0 HZ2 LYS B 66 18.198 15.291 -15.949 1.00 1.27 H new ATOM 0 HZ3 LYS B 66 18.220 13.729 -16.615 1.00 1.27 H new ATOM 2491 N SER B 67 16.506 12.958 -9.581 1.00 0.66 N ATOM 2492 CA SER B 67 15.266 13.683 -9.345 1.00 0.68 C ATOM 2493 C SER B 67 15.464 14.762 -8.283 1.00 0.69 C ATOM 2494 O SER B 67 15.604 15.942 -8.605 1.00 0.90 O ATOM 2495 CB SER B 67 14.157 12.715 -8.925 1.00 0.68 C ATOM 2496 OG SER B 67 14.032 11.651 -9.855 1.00 1.34 O ATOM 0 H SER B 67 17.104 12.863 -8.760 1.00 0.66 H new ATOM 0 HA SER B 67 14.970 14.170 -10.274 1.00 0.68 H new ATOM 0 HB2 SER B 67 14.375 12.314 -7.935 1.00 0.68 H new ATOM 0 HB3 SER B 67 13.211 13.251 -8.850 1.00 0.68 H new ATOM 0 HG SER B 67 13.319 11.045 -9.565 1.00 1.34 H new ATOM 2502 N GLN B 68 15.492 14.343 -7.023 1.00 0.59 N ATOM 2503 CA GLN B 68 15.677 15.252 -5.900 1.00 0.59 C ATOM 2504 C GLN B 68 16.186 14.472 -4.698 1.00 0.54 C ATOM 2505 O GLN B 68 16.265 13.247 -4.742 1.00 0.52 O ATOM 2506 CB GLN B 68 14.368 15.963 -5.543 1.00 0.64 C ATOM 2507 CG GLN B 68 14.199 17.315 -6.223 1.00 0.79 C ATOM 2508 CD GLN B 68 12.921 18.023 -5.818 1.00 0.85 C ATOM 2509 OE1 GLN B 68 11.919 17.389 -5.498 1.00 1.14 O ATOM 2510 NE2 GLN B 68 12.947 19.346 -5.833 1.00 1.09 N ATOM 0 H GLN B 68 15.387 13.365 -6.752 1.00 0.59 H new ATOM 0 HA GLN B 68 16.406 16.011 -6.185 1.00 0.59 H new ATOM 0 HB2 GLN B 68 13.530 15.322 -5.817 1.00 0.64 H new ATOM 0 HB3 GLN B 68 14.323 16.102 -4.463 1.00 0.64 H new ATOM 0 HG2 GLN B 68 15.052 17.948 -5.979 1.00 0.79 H new ATOM 0 HG3 GLN B 68 14.204 17.176 -7.304 1.00 0.79 H new ATOM 0 HE21 GLN B 68 13.799 19.836 -6.105 1.00 1.09 H new ATOM 0 HE22 GLN B 68 12.115 19.875 -5.573 1.00 1.09 H new ATOM 2519 N THR B 69 16.526 15.172 -3.629 1.00 0.56 N ATOM 2520 CA THR B 69 17.029 14.520 -2.428 1.00 0.56 C ATOM 2521 C THR B 69 16.339 15.049 -1.174 1.00 0.54 C ATOM 2522 O THR B 69 15.971 14.285 -0.283 1.00 0.55 O ATOM 2523 CB THR B 69 18.549 14.723 -2.292 1.00 0.63 C ATOM 2524 OG1 THR B 69 19.165 14.550 -3.573 1.00 0.74 O ATOM 2525 CG2 THR B 69 19.152 13.737 -1.300 1.00 0.70 C ATOM 0 H THR B 69 16.464 16.188 -3.566 1.00 0.56 H new ATOM 0 HA THR B 69 16.811 13.456 -2.526 1.00 0.56 H new ATOM 0 HB THR B 69 18.730 15.732 -1.920 1.00 0.63 H new ATOM 0 HG1 THR B 69 19.072 13.617 -3.857 1.00 0.74 H new ATOM 0 HG21 THR B 69 20.226 13.906 -1.226 1.00 0.70 H new ATOM 0 HG22 THR B 69 18.694 13.880 -0.321 1.00 0.70 H new ATOM 0 HG23 THR B 69 18.968 12.718 -1.642 1.00 0.70 H new ATOM 2533 N ASP B 70 16.160 16.358 -1.116 1.00 0.56 N ATOM 2534 CA ASP B 70 15.531 16.988 0.033 1.00 0.58 C ATOM 2535 C ASP B 70 14.038 16.684 0.100 1.00 0.55 C ATOM 2536 O ASP B 70 13.546 16.179 1.106 1.00 0.57 O ATOM 2537 CB ASP B 70 15.744 18.498 -0.014 1.00 0.66 C ATOM 2538 CG ASP B 70 15.131 19.190 1.181 1.00 0.76 C ATOM 2539 OD1 ASP B 70 15.656 19.020 2.300 1.00 0.99 O ATOM 2540 OD2 ASP B 70 14.119 19.897 1.010 1.00 0.95 O ATOM 0 H ASP B 70 16.442 17.006 -1.852 1.00 0.56 H new ATOM 0 HA ASP B 70 15.999 16.577 0.928 1.00 0.58 H new ATOM 0 HB2 ASP B 70 16.812 18.713 -0.050 1.00 0.66 H new ATOM 0 HB3 ASP B 70 15.307 18.898 -0.929 1.00 0.66 H new ATOM 2545 N GLN B 71 13.320 16.989 -0.977 1.00 0.56 N ATOM 2546 CA GLN B 71 11.879 16.768 -1.020 1.00 0.58 C ATOM 2547 C GLN B 71 11.524 15.314 -1.316 1.00 0.54 C ATOM 2548 O GLN B 71 10.391 14.897 -1.097 1.00 0.66 O ATOM 2549 CB GLN B 71 11.238 17.687 -2.060 1.00 0.65 C ATOM 2550 CG GLN B 71 10.608 18.931 -1.462 1.00 0.83 C ATOM 2551 CD GLN B 71 10.127 19.904 -2.515 1.00 0.92 C ATOM 2552 OE1 GLN B 71 9.011 19.793 -3.017 1.00 1.13 O ATOM 2553 NE2 GLN B 71 10.960 20.877 -2.840 1.00 1.18 N ATOM 0 H GLN B 71 13.712 17.389 -1.830 1.00 0.56 H new ATOM 0 HA GLN B 71 11.486 17.003 -0.031 1.00 0.58 H new ATOM 0 HB2 GLN B 71 11.995 17.985 -2.785 1.00 0.65 H new ATOM 0 HB3 GLN B 71 10.476 17.130 -2.605 1.00 0.65 H new ATOM 0 HG2 GLN B 71 9.768 18.641 -0.831 1.00 0.83 H new ATOM 0 HG3 GLN B 71 11.334 19.428 -0.818 1.00 0.83 H new ATOM 0 HE21 GLN B 71 11.878 20.931 -2.398 1.00 1.18 H new ATOM 0 HE22 GLN B 71 10.685 21.574 -3.533 1.00 1.18 H new ATOM 2562 N LEU B 72 12.489 14.542 -1.803 1.00 0.51 N ATOM 2563 CA LEU B 72 12.244 13.139 -2.117 1.00 0.49 C ATOM 2564 C LEU B 72 12.060 12.350 -0.827 1.00 0.43 C ATOM 2565 O LEU B 72 12.974 12.259 -0.007 1.00 0.51 O ATOM 2566 CB LEU B 72 13.396 12.564 -2.944 1.00 0.57 C ATOM 2567 CG LEU B 72 13.065 11.290 -3.728 1.00 0.72 C ATOM 2568 CD1 LEU B 72 13.851 11.254 -5.028 1.00 0.88 C ATOM 2569 CD2 LEU B 72 13.359 10.050 -2.896 1.00 1.00 C ATOM 0 H LEU B 72 13.440 14.860 -1.988 1.00 0.51 H new ATOM 0 HA LEU B 72 11.333 13.061 -2.711 1.00 0.49 H new ATOM 0 HB2 LEU B 72 13.733 13.326 -3.646 1.00 0.57 H new ATOM 0 HB3 LEU B 72 14.232 12.354 -2.276 1.00 0.57 H new ATOM 0 HG LEU B 72 12.000 11.298 -3.961 1.00 0.72 H new ATOM 0 HD11 LEU B 72 13.607 10.344 -5.576 1.00 0.88 H new ATOM 0 HD12 LEU B 72 13.592 12.122 -5.634 1.00 0.88 H new ATOM 0 HD13 LEU B 72 14.919 11.270 -4.808 1.00 0.88 H new ATOM 0 HD21 LEU B 72 13.116 9.158 -3.474 1.00 1.00 H new ATOM 0 HD22 LEU B 72 14.416 10.033 -2.629 1.00 1.00 H new ATOM 0 HD23 LEU B 72 12.756 10.070 -1.988 1.00 1.00 H new ATOM 2581 N VAL B 73 10.869 11.801 -0.646 1.00 0.37 N ATOM 2582 CA VAL B 73 10.554 11.040 0.550 1.00 0.35 C ATOM 2583 C VAL B 73 9.909 9.704 0.199 1.00 0.30 C ATOM 2584 O VAL B 73 9.084 9.627 -0.715 1.00 0.31 O ATOM 2585 CB VAL B 73 9.600 11.834 1.473 1.00 0.42 C ATOM 2586 CG1 VAL B 73 9.299 11.059 2.744 1.00 0.46 C ATOM 2587 CG2 VAL B 73 10.179 13.201 1.806 1.00 0.55 C ATOM 0 H VAL B 73 10.103 11.869 -1.316 1.00 0.37 H new ATOM 0 HA VAL B 73 11.493 10.856 1.072 1.00 0.35 H new ATOM 0 HB VAL B 73 8.663 11.981 0.935 1.00 0.42 H new ATOM 0 HG11 VAL B 73 8.626 11.641 3.374 1.00 0.46 H new ATOM 0 HG12 VAL B 73 8.827 10.110 2.489 1.00 0.46 H new ATOM 0 HG13 VAL B 73 10.227 10.869 3.283 1.00 0.46 H new ATOM 0 HG21 VAL B 73 9.490 13.740 2.456 1.00 0.55 H new ATOM 0 HG22 VAL B 73 11.135 13.077 2.314 1.00 0.55 H new ATOM 0 HG23 VAL B 73 10.328 13.767 0.886 1.00 0.55 H new ATOM 2597 N LEU B 74 10.298 8.661 0.924 1.00 0.30 N ATOM 2598 CA LEU B 74 9.745 7.330 0.713 1.00 0.29 C ATOM 2599 C LEU B 74 8.499 7.158 1.582 1.00 0.28 C ATOM 2600 O LEU B 74 8.237 7.979 2.459 1.00 0.36 O ATOM 2601 CB LEU B 74 10.783 6.245 1.037 1.00 0.33 C ATOM 2602 CG LEU B 74 11.950 6.110 0.047 1.00 0.42 C ATOM 2603 CD1 LEU B 74 11.466 6.243 -1.388 1.00 0.57 C ATOM 2604 CD2 LEU B 74 13.033 7.134 0.351 1.00 0.64 C ATOM 0 H LEU B 74 10.997 8.713 1.665 1.00 0.30 H new ATOM 0 HA LEU B 74 9.472 7.222 -0.337 1.00 0.29 H new ATOM 0 HB2 LEU B 74 11.194 6.447 2.026 1.00 0.33 H new ATOM 0 HB3 LEU B 74 10.270 5.285 1.095 1.00 0.33 H new ATOM 0 HG LEU B 74 12.379 5.115 0.164 1.00 0.42 H new ATOM 0 HD11 LEU B 74 12.312 6.144 -2.068 1.00 0.57 H new ATOM 0 HD12 LEU B 74 10.736 5.461 -1.600 1.00 0.57 H new ATOM 0 HD13 LEU B 74 11.002 7.220 -1.526 1.00 0.57 H new ATOM 0 HD21 LEU B 74 13.850 7.022 -0.361 1.00 0.64 H new ATOM 0 HD22 LEU B 74 12.617 8.138 0.270 1.00 0.64 H new ATOM 0 HD23 LEU B 74 13.409 6.977 1.362 1.00 0.64 H new ATOM 2616 N ILE B 75 7.731 6.102 1.348 1.00 0.29 N ATOM 2617 CA ILE B 75 6.505 5.884 2.114 1.00 0.33 C ATOM 2618 C ILE B 75 6.343 4.426 2.539 1.00 0.31 C ATOM 2619 O ILE B 75 6.625 3.514 1.767 1.00 0.36 O ATOM 2620 CB ILE B 75 5.260 6.320 1.297 1.00 0.43 C ATOM 2621 CG1 ILE B 75 5.151 7.845 1.265 1.00 0.47 C ATOM 2622 CG2 ILE B 75 3.980 5.711 1.859 1.00 0.54 C ATOM 2623 CD1 ILE B 75 5.768 8.480 0.044 1.00 0.74 C ATOM 0 H ILE B 75 7.929 5.390 0.645 1.00 0.29 H new ATOM 0 HA ILE B 75 6.586 6.495 3.013 1.00 0.33 H new ATOM 0 HB ILE B 75 5.386 5.951 0.279 1.00 0.43 H new ATOM 0 HG12 ILE B 75 4.099 8.125 1.314 1.00 0.47 H new ATOM 0 HG13 ILE B 75 5.631 8.252 2.155 1.00 0.47 H new ATOM 0 HG21 ILE B 75 3.129 6.038 1.262 1.00 0.54 H new ATOM 0 HG22 ILE B 75 4.050 4.624 1.827 1.00 0.54 H new ATOM 0 HG23 ILE B 75 3.845 6.035 2.891 1.00 0.54 H new ATOM 0 HD11 ILE B 75 5.649 9.562 0.097 1.00 0.74 H new ATOM 0 HD12 ILE B 75 6.829 8.233 0.002 1.00 0.74 H new ATOM 0 HD13 ILE B 75 5.273 8.104 -0.851 1.00 0.74 H new ATOM 2635 N PHE B 76 5.887 4.234 3.775 1.00 0.31 N ATOM 2636 CA PHE B 76 5.644 2.910 4.331 1.00 0.35 C ATOM 2637 C PHE B 76 4.178 2.782 4.762 1.00 0.31 C ATOM 2638 O PHE B 76 3.860 2.853 5.949 1.00 0.40 O ATOM 2639 CB PHE B 76 6.582 2.648 5.519 1.00 0.48 C ATOM 2640 CG PHE B 76 6.345 1.338 6.223 1.00 0.55 C ATOM 2641 CD1 PHE B 76 6.540 0.137 5.565 1.00 0.65 C ATOM 2642 CD2 PHE B 76 5.929 1.311 7.545 1.00 0.62 C ATOM 2643 CE1 PHE B 76 6.324 -1.066 6.211 1.00 0.77 C ATOM 2644 CE2 PHE B 76 5.712 0.113 8.196 1.00 0.72 C ATOM 2645 CZ PHE B 76 5.910 -1.078 7.528 1.00 0.78 C ATOM 0 H PHE B 76 5.676 4.996 4.419 1.00 0.31 H new ATOM 0 HA PHE B 76 5.848 2.163 3.564 1.00 0.35 H new ATOM 0 HB2 PHE B 76 7.613 2.675 5.165 1.00 0.48 H new ATOM 0 HB3 PHE B 76 6.471 3.459 6.239 1.00 0.48 H new ATOM 0 HD1 PHE B 76 6.865 0.139 4.535 1.00 0.65 H new ATOM 0 HD2 PHE B 76 5.772 2.240 8.073 1.00 0.62 H new ATOM 0 HE1 PHE B 76 6.479 -1.997 5.685 1.00 0.77 H new ATOM 0 HE2 PHE B 76 5.388 0.108 9.226 1.00 0.72 H new ATOM 0 HZ PHE B 76 5.742 -2.017 8.034 1.00 0.78 H new ATOM 2655 N ALA B 77 3.297 2.658 3.771 1.00 0.40 N ATOM 2656 CA ALA B 77 1.857 2.491 3.988 1.00 0.48 C ATOM 2657 C ALA B 77 1.285 3.498 4.991 1.00 0.41 C ATOM 2658 O ALA B 77 0.965 3.147 6.128 1.00 0.44 O ATOM 2659 CB ALA B 77 1.556 1.061 4.428 1.00 0.62 C ATOM 0 H ALA B 77 3.562 2.670 2.786 1.00 0.40 H new ATOM 0 HA ALA B 77 1.364 2.689 3.036 1.00 0.48 H new ATOM 0 HB1 ALA B 77 0.484 0.947 4.587 1.00 0.62 H new ATOM 0 HB2 ALA B 77 1.884 0.366 3.655 1.00 0.62 H new ATOM 0 HB3 ALA B 77 2.085 0.847 5.357 1.00 0.62 H new ATOM 2665 N GLY B 78 1.153 4.749 4.567 1.00 0.46 N ATOM 2666 CA GLY B 78 0.601 5.771 5.440 1.00 0.54 C ATOM 2667 C GLY B 78 1.633 6.455 6.320 1.00 0.50 C ATOM 2668 O GLY B 78 1.295 7.361 7.083 1.00 0.63 O ATOM 0 H GLY B 78 1.417 5.075 3.637 1.00 0.46 H new ATOM 0 HA2 GLY B 78 0.102 6.524 4.830 1.00 0.54 H new ATOM 0 HA3 GLY B 78 -0.161 5.319 6.075 1.00 0.54 H new ATOM 2672 N LYS B 79 2.887 6.045 6.206 1.00 0.42 N ATOM 2673 CA LYS B 79 3.960 6.621 7.013 1.00 0.43 C ATOM 2674 C LYS B 79 5.093 7.125 6.128 1.00 0.39 C ATOM 2675 O LYS B 79 5.504 6.444 5.193 1.00 0.43 O ATOM 2676 CB LYS B 79 4.498 5.588 8.014 1.00 0.50 C ATOM 2677 CG LYS B 79 4.130 5.884 9.460 1.00 0.72 C ATOM 2678 CD LYS B 79 2.644 5.678 9.716 1.00 1.16 C ATOM 2679 CE LYS B 79 2.230 6.206 11.081 1.00 1.57 C ATOM 2680 NZ LYS B 79 0.771 6.500 11.147 1.00 2.02 N ATOM 0 H LYS B 79 3.190 5.314 5.562 1.00 0.42 H new ATOM 0 HA LYS B 79 3.548 7.465 7.565 1.00 0.43 H new ATOM 0 HB2 LYS B 79 4.116 4.603 7.746 1.00 0.50 H new ATOM 0 HB3 LYS B 79 5.584 5.543 7.927 1.00 0.50 H new ATOM 0 HG2 LYS B 79 4.706 5.238 10.122 1.00 0.72 H new ATOM 0 HG3 LYS B 79 4.402 6.911 9.702 1.00 0.72 H new ATOM 0 HD2 LYS B 79 2.068 6.183 8.941 1.00 1.16 H new ATOM 0 HD3 LYS B 79 2.407 4.616 9.649 1.00 1.16 H new ATOM 0 HE2 LYS B 79 2.487 5.474 11.846 1.00 1.57 H new ATOM 0 HE3 LYS B 79 2.793 7.112 11.305 1.00 1.57 H new ATOM 0 HZ1 LYS B 79 0.560 7.012 12.027 1.00 2.02 H new ATOM 0 HZ2 LYS B 79 0.497 7.085 10.332 1.00 2.02 H new ATOM 0 HZ3 LYS B 79 0.236 5.608 11.128 1.00 2.02 H new ATOM 2694 N ILE B 80 5.571 8.328 6.414 1.00 0.37 N ATOM 2695 CA ILE B 80 6.663 8.921 5.653 1.00 0.39 C ATOM 2696 C ILE B 80 8.004 8.354 6.091 1.00 0.39 C ATOM 2697 O ILE B 80 8.274 8.222 7.285 1.00 0.61 O ATOM 2698 CB ILE B 80 6.704 10.466 5.779 1.00 0.52 C ATOM 2699 CG1 ILE B 80 6.392 10.925 7.212 1.00 0.67 C ATOM 2700 CG2 ILE B 80 5.746 11.109 4.788 1.00 0.97 C ATOM 2701 CD1 ILE B 80 7.623 11.274 8.024 1.00 1.18 C ATOM 0 H ILE B 80 5.219 8.915 7.170 1.00 0.37 H new ATOM 0 HA ILE B 80 6.477 8.668 4.609 1.00 0.39 H new ATOM 0 HB ILE B 80 7.718 10.790 5.543 1.00 0.52 H new ATOM 0 HG12 ILE B 80 5.737 11.795 7.170 1.00 0.67 H new ATOM 0 HG13 ILE B 80 5.842 10.136 7.725 1.00 0.67 H new ATOM 0 HG21 ILE B 80 5.789 12.193 4.892 1.00 0.97 H new ATOM 0 HG22 ILE B 80 6.030 10.830 3.773 1.00 0.97 H new ATOM 0 HG23 ILE B 80 4.731 10.765 4.988 1.00 0.97 H new ATOM 0 HD11 ILE B 80 7.322 11.589 9.023 1.00 1.18 H new ATOM 0 HD12 ILE B 80 8.270 10.400 8.098 1.00 1.18 H new ATOM 0 HD13 ILE B 80 8.163 12.085 7.535 1.00 1.18 H new ATOM 2713 N LEU B 81 8.832 8.009 5.120 1.00 0.30 N ATOM 2714 CA LEU B 81 10.151 7.465 5.392 1.00 0.34 C ATOM 2715 C LEU B 81 11.202 8.539 5.157 1.00 0.36 C ATOM 2716 O LEU B 81 11.523 8.878 4.014 1.00 0.46 O ATOM 2717 CB LEU B 81 10.423 6.249 4.503 1.00 0.44 C ATOM 2718 CG LEU B 81 10.208 4.880 5.161 1.00 0.57 C ATOM 2719 CD1 LEU B 81 9.007 4.899 6.094 1.00 1.01 C ATOM 2720 CD2 LEU B 81 10.028 3.815 4.092 1.00 0.78 C ATOM 0 H LEU B 81 8.611 8.097 4.128 1.00 0.30 H new ATOM 0 HA LEU B 81 10.195 7.142 6.432 1.00 0.34 H new ATOM 0 HB2 LEU B 81 9.781 6.314 3.625 1.00 0.44 H new ATOM 0 HB3 LEU B 81 11.453 6.304 4.150 1.00 0.44 H new ATOM 0 HG LEU B 81 11.090 4.646 5.757 1.00 0.57 H new ATOM 0 HD11 LEU B 81 8.881 3.915 6.545 1.00 1.01 H new ATOM 0 HD12 LEU B 81 9.167 5.639 6.878 1.00 1.01 H new ATOM 0 HD13 LEU B 81 8.111 5.157 5.529 1.00 1.01 H new ATOM 0 HD21 LEU B 81 9.876 2.845 4.566 1.00 0.78 H new ATOM 0 HD22 LEU B 81 9.161 4.059 3.478 1.00 0.78 H new ATOM 0 HD23 LEU B 81 10.918 3.776 3.464 1.00 0.78 H new ATOM 2732 N LYS B 82 11.718 9.084 6.244 1.00 0.39 N ATOM 2733 CA LYS B 82 12.719 10.135 6.173 1.00 0.47 C ATOM 2734 C LYS B 82 13.890 9.784 7.077 1.00 0.49 C ATOM 2735 O LYS B 82 14.046 8.631 7.473 1.00 0.63 O ATOM 2736 CB LYS B 82 12.115 11.487 6.588 1.00 0.54 C ATOM 2737 CG LYS B 82 10.948 11.935 5.717 1.00 0.94 C ATOM 2738 CD LYS B 82 10.471 13.334 6.081 1.00 1.01 C ATOM 2739 CE LYS B 82 9.223 13.719 5.299 1.00 1.22 C ATOM 2740 NZ LYS B 82 8.877 15.156 5.454 1.00 1.35 N ATOM 0 H LYS B 82 11.459 8.814 7.193 1.00 0.39 H new ATOM 0 HA LYS B 82 13.070 10.219 5.144 1.00 0.47 H new ATOM 0 HB2 LYS B 82 11.779 11.421 7.623 1.00 0.54 H new ATOM 0 HB3 LYS B 82 12.895 12.248 6.554 1.00 0.54 H new ATOM 0 HG2 LYS B 82 11.249 11.915 4.669 1.00 0.94 H new ATOM 0 HG3 LYS B 82 10.123 11.231 5.825 1.00 0.94 H new ATOM 0 HD2 LYS B 82 10.261 13.381 7.150 1.00 1.01 H new ATOM 0 HD3 LYS B 82 11.264 14.054 5.880 1.00 1.01 H new ATOM 0 HE2 LYS B 82 9.377 13.497 4.243 1.00 1.22 H new ATOM 0 HE3 LYS B 82 8.385 13.108 5.634 1.00 1.22 H new ATOM 0 HZ1 LYS B 82 8.343 15.476 4.621 1.00 1.35 H new ATOM 0 HZ2 LYS B 82 8.297 15.283 6.308 1.00 1.35 H new ATOM 0 HZ3 LYS B 82 9.749 15.716 5.542 1.00 1.35 H new ATOM 2754 N ASP B 83 14.707 10.775 7.403 1.00 0.60 N ATOM 2755 CA ASP B 83 15.855 10.558 8.276 1.00 0.68 C ATOM 2756 C ASP B 83 15.399 10.438 9.730 1.00 0.68 C ATOM 2757 O ASP B 83 16.186 10.100 10.616 1.00 0.89 O ATOM 2758 CB ASP B 83 16.870 11.696 8.133 1.00 0.88 C ATOM 2759 CG ASP B 83 16.380 12.996 8.734 1.00 1.20 C ATOM 2760 OD1 ASP B 83 15.621 13.720 8.053 1.00 1.56 O ATOM 2761 OD2 ASP B 83 16.753 13.301 9.887 1.00 1.52 O ATOM 0 H ASP B 83 14.598 11.736 7.078 1.00 0.60 H new ATOM 0 HA ASP B 83 16.339 9.627 7.979 1.00 0.68 H new ATOM 0 HB2 ASP B 83 17.804 11.407 8.615 1.00 0.88 H new ATOM 0 HB3 ASP B 83 17.091 11.849 7.077 1.00 0.88 H new ATOM 2766 N GLN B 84 14.118 10.722 9.962 1.00 0.60 N ATOM 2767 CA GLN B 84 13.533 10.632 11.295 1.00 0.67 C ATOM 2768 C GLN B 84 13.494 9.173 11.736 1.00 0.61 C ATOM 2769 O GLN B 84 13.922 8.826 12.837 1.00 0.81 O ATOM 2770 CB GLN B 84 12.117 11.215 11.293 1.00 0.77 C ATOM 2771 CG GLN B 84 12.046 12.644 10.787 1.00 0.93 C ATOM 2772 CD GLN B 84 10.623 13.092 10.508 1.00 1.13 C ATOM 2773 OE1 GLN B 84 9.671 12.623 11.138 1.00 1.32 O ATOM 2774 NE2 GLN B 84 10.464 14.005 9.562 1.00 1.28 N ATOM 0 H GLN B 84 13.464 11.018 9.238 1.00 0.60 H new ATOM 0 HA GLN B 84 14.145 11.205 11.992 1.00 0.67 H new ATOM 0 HB2 GLN B 84 11.476 10.587 10.674 1.00 0.77 H new ATOM 0 HB3 GLN B 84 11.717 11.177 12.306 1.00 0.77 H new ATOM 0 HG2 GLN B 84 12.495 13.310 11.524 1.00 0.93 H new ATOM 0 HG3 GLN B 84 12.637 12.733 9.875 1.00 0.93 H new ATOM 0 HE21 GLN B 84 11.276 14.369 9.063 1.00 1.28 H new ATOM 0 HE22 GLN B 84 9.530 14.344 9.332 1.00 1.28 H new ATOM 2783 N ASP B 85 12.992 8.326 10.855 1.00 0.52 N ATOM 2784 CA ASP B 85 12.898 6.905 11.123 1.00 0.51 C ATOM 2785 C ASP B 85 14.016 6.177 10.385 1.00 0.44 C ATOM 2786 O ASP B 85 15.006 6.798 9.989 1.00 0.48 O ATOM 2787 CB ASP B 85 11.526 6.379 10.694 1.00 0.61 C ATOM 2788 CG ASP B 85 11.293 6.495 9.203 1.00 0.68 C ATOM 2789 OD1 ASP B 85 11.300 7.635 8.685 1.00 0.76 O ATOM 2790 OD2 ASP B 85 11.088 5.451 8.553 1.00 0.86 O ATOM 0 H ASP B 85 12.640 8.603 9.939 1.00 0.52 H new ATOM 0 HA ASP B 85 13.009 6.725 12.192 1.00 0.51 H new ATOM 0 HB2 ASP B 85 11.433 5.334 10.991 1.00 0.61 H new ATOM 0 HB3 ASP B 85 10.749 6.931 11.223 1.00 0.61 H new ATOM 2795 N THR B 86 13.886 4.870 10.217 1.00 0.49 N ATOM 2796 CA THR B 86 14.903 4.099 9.525 1.00 0.47 C ATOM 2797 C THR B 86 14.273 3.052 8.610 1.00 0.42 C ATOM 2798 O THR B 86 13.435 2.253 9.041 1.00 0.41 O ATOM 2799 CB THR B 86 15.866 3.417 10.515 1.00 0.54 C ATOM 2800 OG1 THR B 86 16.054 4.254 11.663 1.00 0.67 O ATOM 2801 CG2 THR B 86 17.210 3.161 9.856 1.00 0.67 C ATOM 0 H THR B 86 13.090 4.325 10.549 1.00 0.49 H new ATOM 0 HA THR B 86 15.475 4.799 8.916 1.00 0.47 H new ATOM 0 HB THR B 86 15.432 2.465 10.821 1.00 0.54 H new ATOM 0 HG1 THR B 86 16.666 3.816 12.291 1.00 0.67 H new ATOM 0 HG21 THR B 86 17.879 2.679 10.569 1.00 0.67 H new ATOM 0 HG22 THR B 86 17.073 2.512 8.991 1.00 0.67 H new ATOM 0 HG23 THR B 86 17.644 4.108 9.535 1.00 0.67 H new ATOM 2809 N LEU B 87 14.688 3.071 7.349 1.00 0.43 N ATOM 2810 CA LEU B 87 14.185 2.147 6.341 1.00 0.42 C ATOM 2811 C LEU B 87 14.430 0.699 6.746 1.00 0.42 C ATOM 2812 O LEU B 87 13.517 -0.117 6.713 1.00 0.44 O ATOM 2813 CB LEU B 87 14.856 2.430 4.990 1.00 0.51 C ATOM 2814 CG LEU B 87 14.367 1.571 3.822 1.00 0.52 C ATOM 2815 CD1 LEU B 87 13.122 2.183 3.197 1.00 0.61 C ATOM 2816 CD2 LEU B 87 15.467 1.408 2.782 1.00 0.66 C ATOM 0 H LEU B 87 15.384 3.729 6.997 1.00 0.43 H new ATOM 0 HA LEU B 87 13.109 2.297 6.253 1.00 0.42 H new ATOM 0 HB2 LEU B 87 14.699 3.479 4.738 1.00 0.51 H new ATOM 0 HB3 LEU B 87 15.931 2.286 5.100 1.00 0.51 H new ATOM 0 HG LEU B 87 14.109 0.583 4.203 1.00 0.52 H new ATOM 0 HD11 LEU B 87 12.787 1.560 2.368 1.00 0.61 H new ATOM 0 HD12 LEU B 87 12.332 2.246 3.946 1.00 0.61 H new ATOM 0 HD13 LEU B 87 13.353 3.183 2.829 1.00 0.61 H new ATOM 0 HD21 LEU B 87 15.101 0.794 1.959 1.00 0.66 H new ATOM 0 HD22 LEU B 87 15.757 2.388 2.403 1.00 0.66 H new ATOM 0 HD23 LEU B 87 16.331 0.925 3.239 1.00 0.66 H new ATOM 2828 N ILE B 88 15.653 0.392 7.158 1.00 0.47 N ATOM 2829 CA ILE B 88 16.013 -0.975 7.551 1.00 0.53 C ATOM 2830 C ILE B 88 15.428 -1.373 8.908 1.00 0.54 C ATOM 2831 O ILE B 88 15.644 -2.490 9.377 1.00 0.66 O ATOM 2832 CB ILE B 88 17.547 -1.162 7.593 1.00 0.62 C ATOM 2833 CG1 ILE B 88 18.207 -0.087 8.459 1.00 0.65 C ATOM 2834 CG2 ILE B 88 18.122 -1.126 6.185 1.00 0.67 C ATOM 2835 CD1 ILE B 88 18.512 -0.536 9.871 1.00 0.91 C ATOM 0 H ILE B 88 16.415 1.066 7.231 1.00 0.47 H new ATOM 0 HA ILE B 88 15.583 -1.625 6.789 1.00 0.53 H new ATOM 0 HB ILE B 88 17.757 -2.135 8.037 1.00 0.62 H new ATOM 0 HG12 ILE B 88 19.134 0.231 7.982 1.00 0.65 H new ATOM 0 HG13 ILE B 88 17.554 0.785 8.499 1.00 0.65 H new ATOM 0 HG21 ILE B 88 19.203 -1.259 6.230 1.00 0.67 H new ATOM 0 HG22 ILE B 88 17.682 -1.928 5.592 1.00 0.67 H new ATOM 0 HG23 ILE B 88 17.893 -0.166 5.723 1.00 0.67 H new ATOM 0 HD11 ILE B 88 18.978 0.282 10.420 1.00 0.91 H new ATOM 0 HD12 ILE B 88 17.587 -0.826 10.368 1.00 0.91 H new ATOM 0 HD13 ILE B 88 19.191 -1.388 9.843 1.00 0.91 H new ATOM 2847 N GLN B 89 14.679 -0.476 9.533 1.00 0.48 N ATOM 2848 CA GLN B 89 14.105 -0.761 10.837 1.00 0.53 C ATOM 2849 C GLN B 89 12.590 -0.912 10.773 1.00 0.52 C ATOM 2850 O GLN B 89 12.033 -1.868 11.314 1.00 0.71 O ATOM 2851 CB GLN B 89 14.471 0.340 11.836 1.00 0.57 C ATOM 2852 CG GLN B 89 14.013 0.055 13.260 1.00 0.69 C ATOM 2853 CD GLN B 89 14.574 -1.245 13.806 1.00 0.82 C ATOM 2854 OE1 GLN B 89 15.669 -1.272 14.365 1.00 0.96 O ATOM 2855 NE2 GLN B 89 13.825 -2.325 13.655 1.00 0.89 N ATOM 0 H GLN B 89 14.457 0.447 9.161 1.00 0.48 H new ATOM 0 HA GLN B 89 14.524 -1.710 11.171 1.00 0.53 H new ATOM 0 HB2 GLN B 89 15.552 0.476 11.832 1.00 0.57 H new ATOM 0 HB3 GLN B 89 14.030 1.280 11.504 1.00 0.57 H new ATOM 0 HG2 GLN B 89 14.318 0.878 13.907 1.00 0.69 H new ATOM 0 HG3 GLN B 89 12.924 0.016 13.286 1.00 0.69 H new ATOM 0 HE21 GLN B 89 12.922 -2.258 13.185 1.00 0.89 H new ATOM 0 HE22 GLN B 89 14.150 -3.225 14.009 1.00 0.89 H new ATOM 2864 N HIS B 90 11.920 0.025 10.117 1.00 0.49 N ATOM 2865 CA HIS B 90 10.464 -0.018 10.036 1.00 0.51 C ATOM 2866 C HIS B 90 9.967 -0.177 8.603 1.00 0.50 C ATOM 2867 O HIS B 90 9.073 -0.981 8.346 1.00 0.75 O ATOM 2868 CB HIS B 90 9.879 1.254 10.657 1.00 0.59 C ATOM 2869 CG HIS B 90 8.437 1.137 11.046 1.00 0.72 C ATOM 2870 ND1 HIS B 90 7.499 2.103 10.750 1.00 0.96 N ATOM 2871 CD2 HIS B 90 7.777 0.170 11.726 1.00 0.92 C ATOM 2872 CE1 HIS B 90 6.325 1.734 11.231 1.00 1.14 C ATOM 2873 NE2 HIS B 90 6.469 0.567 11.827 1.00 1.10 N ATOM 0 H HIS B 90 12.353 0.815 9.638 1.00 0.49 H new ATOM 0 HA HIS B 90 10.128 -0.894 10.591 1.00 0.51 H new ATOM 0 HB2 HIS B 90 10.462 1.516 11.540 1.00 0.59 H new ATOM 0 HB3 HIS B 90 9.988 2.075 9.948 1.00 0.59 H new ATOM 0 HD2 HIS B 90 8.202 -0.743 12.116 1.00 0.92 H new ATOM 0 HE1 HIS B 90 5.405 2.293 11.150 1.00 1.14 H new ATOM 0 HE2 HIS B 90 5.726 0.043 12.289 1.00 1.10 H new ATOM 2882 N GLY B 91 10.553 0.581 7.685 1.00 0.45 N ATOM 2883 CA GLY B 91 10.141 0.542 6.289 1.00 0.46 C ATOM 2884 C GLY B 91 10.286 -0.822 5.635 1.00 0.45 C ATOM 2885 O GLY B 91 9.295 -1.479 5.322 1.00 0.64 O ATOM 0 H GLY B 91 11.315 1.230 7.883 1.00 0.45 H new ATOM 0 HA2 GLY B 91 9.100 0.857 6.220 1.00 0.46 H new ATOM 0 HA3 GLY B 91 10.731 1.266 5.727 1.00 0.46 H new ATOM 2889 N ILE B 92 11.517 -1.249 5.428 1.00 0.38 N ATOM 2890 CA ILE B 92 11.779 -2.528 4.789 1.00 0.39 C ATOM 2891 C ILE B 92 12.435 -3.488 5.767 1.00 0.41 C ATOM 2892 O ILE B 92 13.566 -3.276 6.200 1.00 0.46 O ATOM 2893 CB ILE B 92 12.687 -2.368 3.551 1.00 0.41 C ATOM 2894 CG1 ILE B 92 12.163 -1.255 2.639 1.00 0.40 C ATOM 2895 CG2 ILE B 92 12.791 -3.681 2.786 1.00 0.47 C ATOM 2896 CD1 ILE B 92 10.819 -1.550 2.008 1.00 0.43 C ATOM 0 H ILE B 92 12.354 -0.729 5.693 1.00 0.38 H new ATOM 0 HA ILE B 92 10.818 -2.930 4.467 1.00 0.39 H new ATOM 0 HB ILE B 92 13.684 -2.092 3.893 1.00 0.41 H new ATOM 0 HG12 ILE B 92 12.086 -0.334 3.216 1.00 0.40 H new ATOM 0 HG13 ILE B 92 12.891 -1.076 1.848 1.00 0.40 H new ATOM 0 HG21 ILE B 92 13.435 -3.546 1.917 1.00 0.47 H new ATOM 0 HG22 ILE B 92 13.213 -4.448 3.435 1.00 0.47 H new ATOM 0 HG23 ILE B 92 11.799 -3.990 2.457 1.00 0.47 H new ATOM 0 HD11 ILE B 92 10.521 -0.712 1.378 1.00 0.43 H new ATOM 0 HD12 ILE B 92 10.892 -2.452 1.401 1.00 0.43 H new ATOM 0 HD13 ILE B 92 10.075 -1.699 2.790 1.00 0.43 H new ATOM 2908 N HIS B 93 11.713 -4.538 6.122 1.00 0.46 N ATOM 2909 CA HIS B 93 12.233 -5.531 7.047 1.00 0.52 C ATOM 2910 C HIS B 93 13.022 -6.589 6.288 1.00 0.54 C ATOM 2911 O HIS B 93 13.914 -7.227 6.840 1.00 0.66 O ATOM 2912 CB HIS B 93 11.094 -6.177 7.838 1.00 0.58 C ATOM 2913 CG HIS B 93 10.792 -5.491 9.136 1.00 0.65 C ATOM 2914 ND1 HIS B 93 10.033 -4.340 9.226 1.00 1.25 N ATOM 2915 CD2 HIS B 93 11.143 -5.805 10.407 1.00 1.25 C ATOM 2916 CE1 HIS B 93 9.931 -3.982 10.492 1.00 1.14 C ATOM 2917 NE2 HIS B 93 10.592 -4.853 11.227 1.00 1.10 N ATOM 0 H HIS B 93 10.768 -4.724 5.785 1.00 0.46 H new ATOM 0 HA HIS B 93 12.900 -5.036 7.753 1.00 0.52 H new ATOM 0 HB2 HIS B 93 10.194 -6.182 7.223 1.00 0.58 H new ATOM 0 HB3 HIS B 93 11.348 -7.218 8.039 1.00 0.58 H new ATOM 0 HD2 HIS B 93 11.744 -6.647 10.716 1.00 1.25 H new ATOM 0 HE1 HIS B 93 9.396 -3.120 10.863 1.00 1.14 H new ATOM 0 HE2 HIS B 93 10.680 -4.824 12.243 1.00 1.10 H new ATOM 2926 N ASP B 94 12.682 -6.764 5.019 1.00 0.58 N ATOM 2927 CA ASP B 94 13.360 -7.729 4.158 1.00 0.63 C ATOM 2928 C ASP B 94 13.090 -7.394 2.698 1.00 0.78 C ATOM 2929 O ASP B 94 14.014 -7.199 1.909 1.00 1.65 O ATOM 2930 CB ASP B 94 12.890 -9.153 4.452 1.00 0.67 C ATOM 2931 CG ASP B 94 13.673 -10.193 3.665 1.00 0.79 C ATOM 2932 OD1 ASP B 94 13.310 -10.469 2.500 1.00 1.08 O ATOM 2933 OD2 ASP B 94 14.653 -10.744 4.214 1.00 0.92 O ATOM 0 H ASP B 94 11.934 -6.246 4.557 1.00 0.58 H new ATOM 0 HA ASP B 94 14.430 -7.672 4.358 1.00 0.63 H new ATOM 0 HB2 ASP B 94 12.993 -9.354 5.518 1.00 0.67 H new ATOM 0 HB3 ASP B 94 11.830 -9.241 4.212 1.00 0.67 H new ATOM 2938 N GLY B 95 11.811 -7.310 2.352 1.00 0.57 N ATOM 2939 CA GLY B 95 11.425 -6.998 0.993 1.00 0.52 C ATOM 2940 C GLY B 95 10.018 -6.453 0.915 1.00 0.46 C ATOM 2941 O GLY B 95 9.047 -7.203 1.051 1.00 0.53 O ATOM 0 H GLY B 95 11.032 -7.454 2.994 1.00 0.57 H new ATOM 0 HA2 GLY B 95 12.120 -6.268 0.577 1.00 0.52 H new ATOM 0 HA3 GLY B 95 11.501 -7.896 0.379 1.00 0.52 H new ATOM 2945 N LEU B 96 9.902 -5.149 0.707 1.00 0.41 N ATOM 2946 CA LEU B 96 8.602 -4.498 0.617 1.00 0.40 C ATOM 2947 C LEU B 96 8.628 -3.397 -0.439 1.00 0.37 C ATOM 2948 O LEU B 96 9.660 -3.156 -1.068 1.00 0.41 O ATOM 2949 CB LEU B 96 8.190 -3.925 1.977 1.00 0.44 C ATOM 2950 CG LEU B 96 7.502 -4.918 2.918 1.00 0.53 C ATOM 2951 CD1 LEU B 96 7.378 -4.333 4.316 1.00 0.58 C ATOM 2952 CD2 LEU B 96 6.131 -5.295 2.381 1.00 0.70 C ATOM 0 H LEU B 96 10.696 -4.518 0.597 1.00 0.41 H new ATOM 0 HA LEU B 96 7.865 -5.244 0.321 1.00 0.40 H new ATOM 0 HB2 LEU B 96 9.078 -3.534 2.473 1.00 0.44 H new ATOM 0 HB3 LEU B 96 7.520 -3.082 1.811 1.00 0.44 H new ATOM 0 HG LEU B 96 8.114 -5.818 2.973 1.00 0.53 H new ATOM 0 HD11 LEU B 96 6.887 -5.054 4.970 1.00 0.58 H new ATOM 0 HD12 LEU B 96 8.371 -4.108 4.706 1.00 0.58 H new ATOM 0 HD13 LEU B 96 6.788 -3.418 4.276 1.00 0.58 H new ATOM 0 HD21 LEU B 96 5.655 -6.001 3.061 1.00 0.70 H new ATOM 0 HD22 LEU B 96 5.514 -4.400 2.298 1.00 0.70 H new ATOM 0 HD23 LEU B 96 6.239 -5.754 1.398 1.00 0.70 H new ATOM 2964 N THR B 97 7.498 -2.730 -0.623 1.00 0.39 N ATOM 2965 CA THR B 97 7.387 -1.674 -1.617 1.00 0.39 C ATOM 2966 C THR B 97 7.157 -0.312 -0.955 1.00 0.37 C ATOM 2967 O THR B 97 6.471 -0.218 0.063 1.00 0.46 O ATOM 2968 CB THR B 97 6.230 -1.981 -2.580 1.00 0.46 C ATOM 2969 OG1 THR B 97 6.049 -3.403 -2.675 1.00 0.83 O ATOM 2970 CG2 THR B 97 6.505 -1.414 -3.962 1.00 0.78 C ATOM 0 H THR B 97 6.643 -2.903 -0.095 1.00 0.39 H new ATOM 0 HA THR B 97 8.325 -1.632 -2.171 1.00 0.39 H new ATOM 0 HB THR B 97 5.326 -1.515 -2.189 1.00 0.46 H new ATOM 0 HG1 THR B 97 5.310 -3.598 -3.288 1.00 0.83 H new ATOM 0 HG21 THR B 97 5.670 -1.646 -4.623 1.00 0.78 H new ATOM 0 HG22 THR B 97 6.625 -0.333 -3.894 1.00 0.78 H new ATOM 0 HG23 THR B 97 7.418 -1.856 -4.362 1.00 0.78 H new ATOM 2978 N VAL B 98 7.749 0.733 -1.523 1.00 0.33 N ATOM 2979 CA VAL B 98 7.603 2.083 -0.992 1.00 0.31 C ATOM 2980 C VAL B 98 7.199 3.058 -2.097 1.00 0.30 C ATOM 2981 O VAL B 98 7.359 2.763 -3.282 1.00 0.36 O ATOM 2982 CB VAL B 98 8.909 2.582 -0.334 1.00 0.31 C ATOM 2983 CG1 VAL B 98 9.212 1.792 0.930 1.00 0.37 C ATOM 2984 CG2 VAL B 98 10.078 2.494 -1.305 1.00 0.34 C ATOM 0 H VAL B 98 8.337 0.670 -2.354 1.00 0.33 H new ATOM 0 HA VAL B 98 6.822 2.043 -0.233 1.00 0.31 H new ATOM 0 HB VAL B 98 8.767 3.628 -0.063 1.00 0.31 H new ATOM 0 HG11 VAL B 98 10.136 2.160 1.377 1.00 0.37 H new ATOM 0 HG12 VAL B 98 8.393 1.912 1.639 1.00 0.37 H new ATOM 0 HG13 VAL B 98 9.325 0.737 0.681 1.00 0.37 H new ATOM 0 HG21 VAL B 98 10.984 2.851 -0.816 1.00 0.34 H new ATOM 0 HG22 VAL B 98 10.217 1.458 -1.614 1.00 0.34 H new ATOM 0 HG23 VAL B 98 9.871 3.110 -2.180 1.00 0.34 H new ATOM 2994 N HIS B 99 6.668 4.209 -1.705 1.00 0.29 N ATOM 2995 CA HIS B 99 6.251 5.230 -2.663 1.00 0.31 C ATOM 2996 C HIS B 99 7.252 6.383 -2.671 1.00 0.30 C ATOM 2997 O HIS B 99 7.959 6.594 -1.690 1.00 0.47 O ATOM 2998 CB HIS B 99 4.853 5.750 -2.317 1.00 0.38 C ATOM 2999 CG HIS B 99 3.986 5.996 -3.512 1.00 0.47 C ATOM 3000 ND1 HIS B 99 3.278 4.996 -4.136 1.00 0.68 N ATOM 3001 CD2 HIS B 99 3.709 7.134 -4.197 1.00 0.71 C ATOM 3002 CE1 HIS B 99 2.610 5.499 -5.154 1.00 0.81 C ATOM 3003 NE2 HIS B 99 2.849 6.792 -5.212 1.00 0.81 N ATOM 0 H HIS B 99 6.515 4.461 -0.729 1.00 0.29 H new ATOM 0 HA HIS B 99 6.219 4.782 -3.656 1.00 0.31 H new ATOM 0 HB2 HIS B 99 4.359 5.030 -1.664 1.00 0.38 H new ATOM 0 HB3 HIS B 99 4.950 6.678 -1.753 1.00 0.38 H new ATOM 0 HD1 HIS B 99 3.271 4.016 -3.854 1.00 0.68 H new ATOM 0 HD2 HIS B 99 4.092 8.121 -3.985 1.00 0.71 H new ATOM 0 HE1 HIS B 99 1.974 4.944 -5.827 1.00 0.81 H new ATOM 3012 N LEU B 100 7.310 7.119 -3.772 1.00 0.31 N ATOM 3013 CA LEU B 100 8.232 8.245 -3.896 1.00 0.32 C ATOM 3014 C LEU B 100 7.472 9.548 -4.147 1.00 0.32 C ATOM 3015 O LEU B 100 6.915 9.750 -5.228 1.00 0.40 O ATOM 3016 CB LEU B 100 9.210 7.971 -5.042 1.00 0.37 C ATOM 3017 CG LEU B 100 10.450 8.864 -5.093 1.00 0.50 C ATOM 3018 CD1 LEU B 100 11.685 8.030 -5.402 1.00 0.85 C ATOM 3019 CD2 LEU B 100 10.280 9.957 -6.141 1.00 0.91 C ATOM 0 H LEU B 100 6.729 6.958 -4.595 1.00 0.31 H new ATOM 0 HA LEU B 100 8.784 8.355 -2.963 1.00 0.32 H new ATOM 0 HB2 LEU B 100 9.537 6.933 -4.974 1.00 0.37 H new ATOM 0 HB3 LEU B 100 8.673 8.075 -5.985 1.00 0.37 H new ATOM 0 HG LEU B 100 10.576 9.335 -4.118 1.00 0.50 H new ATOM 0 HD11 LEU B 100 12.562 8.677 -5.436 1.00 0.85 H new ATOM 0 HD12 LEU B 100 11.819 7.277 -4.625 1.00 0.85 H new ATOM 0 HD13 LEU B 100 11.560 7.538 -6.367 1.00 0.85 H new ATOM 0 HD21 LEU B 100 11.173 10.582 -6.163 1.00 0.91 H new ATOM 0 HD22 LEU B 100 10.132 9.502 -7.120 1.00 0.91 H new ATOM 0 HD23 LEU B 100 9.414 10.570 -5.891 1.00 0.91 H new ATOM 3031 N VAL B 101 7.442 10.425 -3.148 1.00 0.30 N ATOM 3032 CA VAL B 101 6.744 11.706 -3.273 1.00 0.32 C ATOM 3033 C VAL B 101 7.680 12.871 -2.967 1.00 0.33 C ATOM 3034 O VAL B 101 8.850 12.668 -2.637 1.00 0.38 O ATOM 3035 CB VAL B 101 5.516 11.796 -2.335 1.00 0.39 C ATOM 3036 CG1 VAL B 101 4.533 10.670 -2.613 1.00 0.50 C ATOM 3037 CG2 VAL B 101 5.946 11.796 -0.872 1.00 0.52 C ATOM 0 H VAL B 101 7.891 10.275 -2.244 1.00 0.30 H new ATOM 0 HA VAL B 101 6.400 11.767 -4.306 1.00 0.32 H new ATOM 0 HB VAL B 101 5.009 12.740 -2.537 1.00 0.39 H new ATOM 0 HG11 VAL B 101 3.680 10.757 -1.940 1.00 0.50 H new ATOM 0 HG12 VAL B 101 4.189 10.734 -3.645 1.00 0.50 H new ATOM 0 HG13 VAL B 101 5.024 9.710 -2.453 1.00 0.50 H new ATOM 0 HG21 VAL B 101 5.065 11.860 -0.234 1.00 0.52 H new ATOM 0 HG22 VAL B 101 6.487 10.876 -0.652 1.00 0.52 H new ATOM 0 HG23 VAL B 101 6.594 12.652 -0.683 1.00 0.52 H new ATOM 3047 N ILE B 102 7.153 14.090 -3.070 1.00 0.36 N ATOM 3048 CA ILE B 102 7.934 15.289 -2.802 1.00 0.41 C ATOM 3049 C ILE B 102 7.221 16.178 -1.787 1.00 0.51 C ATOM 3050 O ILE B 102 6.790 17.290 -2.100 1.00 0.79 O ATOM 3051 CB ILE B 102 8.228 16.097 -4.088 1.00 0.52 C ATOM 3052 CG1 ILE B 102 6.966 16.243 -4.960 1.00 0.71 C ATOM 3053 CG2 ILE B 102 9.364 15.447 -4.866 1.00 0.76 C ATOM 3054 CD1 ILE B 102 6.826 15.209 -6.061 1.00 1.32 C ATOM 0 H ILE B 102 6.185 14.270 -3.338 1.00 0.36 H new ATOM 0 HA ILE B 102 8.888 14.959 -2.391 1.00 0.41 H new ATOM 0 HB ILE B 102 8.537 17.102 -3.799 1.00 0.52 H new ATOM 0 HG12 ILE B 102 6.089 16.187 -4.316 1.00 0.71 H new ATOM 0 HG13 ILE B 102 6.967 17.235 -5.412 1.00 0.71 H new ATOM 0 HG21 ILE B 102 9.563 16.024 -5.769 1.00 0.76 H new ATOM 0 HG22 ILE B 102 10.261 15.421 -4.247 1.00 0.76 H new ATOM 0 HG23 ILE B 102 9.083 14.430 -5.139 1.00 0.76 H new ATOM 0 HD11 ILE B 102 5.908 15.394 -6.619 1.00 1.32 H new ATOM 0 HD12 ILE B 102 7.680 15.277 -6.734 1.00 1.32 H new ATOM 0 HD13 ILE B 102 6.788 14.212 -5.621 1.00 1.32 H new ATOM 3066 N LYS B 103 7.088 15.671 -0.570 1.00 0.59 N ATOM 3067 CA LYS B 103 6.423 16.401 0.497 1.00 0.76 C ATOM 3068 C LYS B 103 7.316 16.487 1.730 1.00 0.91 C ATOM 3069 O LYS B 103 7.299 15.542 2.551 1.00 1.07 O ATOM 3070 CB LYS B 103 5.097 15.724 0.858 1.00 0.86 C ATOM 3071 CG LYS B 103 4.048 15.797 -0.241 1.00 1.00 C ATOM 3072 CD LYS B 103 3.337 17.140 -0.243 1.00 1.15 C ATOM 3073 CE LYS B 103 2.419 17.294 -1.450 1.00 1.32 C ATOM 3074 NZ LYS B 103 1.331 16.277 -1.465 1.00 1.74 N ATOM 3075 OXT LYS B 103 8.036 17.498 1.875 1.00 1.20 O ATOM 0 H LYS B 103 7.434 14.751 -0.297 1.00 0.59 H new ATOM 0 HA LYS B 103 6.221 17.412 0.144 1.00 0.76 H new ATOM 0 HB2 LYS B 103 5.288 14.677 1.096 1.00 0.86 H new ATOM 0 HB3 LYS B 103 4.697 16.188 1.760 1.00 0.86 H new ATOM 0 HG2 LYS B 103 4.522 15.633 -1.209 1.00 1.00 H new ATOM 0 HG3 LYS B 103 3.319 14.998 -0.104 1.00 1.00 H new ATOM 0 HD2 LYS B 103 2.754 17.244 0.672 1.00 1.15 H new ATOM 0 HD3 LYS B 103 4.075 17.942 -0.243 1.00 1.15 H new ATOM 0 HE2 LYS B 103 1.981 18.292 -1.445 1.00 1.32 H new ATOM 0 HE3 LYS B 103 3.007 17.208 -2.364 1.00 1.32 H new ATOM 0 HZ1 LYS B 103 0.733 16.421 -2.303 1.00 1.74 H new ATOM 0 HZ2 LYS B 103 1.747 15.324 -1.496 1.00 1.74 H new ATOM 0 HZ3 LYS B 103 0.753 16.375 -0.606 1.00 1.74 H new TER 3089 LYS B 103